USER MOD reduce.3.24.130724 H: found=0, std=0, add=693, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 695 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: C 11 GLN : amide:sc= -1.84 K(o=-1.8,f=-5!) USER MOD Set 1.2: C 86 LYS NZ :NH3+ -122:sc=0.000313 (180deg=0) USER MOD Single : C 5 TYR OH : rot 30:sc= -0.241 USER MOD Single : C 6 LYS NZ :NH3+ -157:sc= -0.159 (180deg=-1.21) USER MOD Single : C 13 THR OG1 : rot -167:sc= -0.84 USER MOD Single : C 16 GLN : amide:sc= -10.1! C(o=-10!,f=-11!) USER MOD Single : C 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 18 ASN : amide:sc= -0.913 K(o=-0.91,f=-3!) USER MOD Single : C 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 35 CYS SG : rot 72:sc= 1.3 USER MOD Single : C 37 SER OG : rot 180:sc= -1.8! USER MOD Single : C 38 THR OG1 : rot 180:sc= -0.195 USER MOD Single : C 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 45 MET CE :methyl -158:sc= -0.559 (180deg=-1.38) USER MOD Single : C 47 MET CE :methyl -155:sc= -5.57! (180deg=-8.04!) USER MOD Single : C 50 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : C 51 ASN : amide:sc= 0.174 K(o=0.17,f=-2.8!) USER MOD Single : C 53 THR OG1 : rot 164:sc= -1.73! USER MOD Single : C 58 GLN : amide:sc= -0.892 X(o=-0.89,f=-0.47) USER MOD Single : C 60 MET CE :methyl -124:sc= -0.0328 (180deg=-0.262) USER MOD Single : C 69 SER OG : rot -97:sc= 1.3 USER MOD Single : C 71 THR OG1 : rot 180:sc= 0 USER MOD Single : C 80 MET CE :methyl -168:sc= -0.0952 (180deg=-0.471) USER MOD Single : C 81 MET CE :methyl 161:sc= -7.59! (180deg=-8.49!) USER MOD Single : C 84 CYS SG : rot -30:sc= -0.429 USER MOD Single : C 85 MET CE :methyl 156:sc= -0.713 (180deg=-3.67!) USER MOD Single : I 149 SER OG : rot 180:sc= 0.101 USER MOD Single : I 153 MET CE :methyl -179:sc= -4.45! (180deg=-4.49!) USER MOD Single : I 154 MET CE :methyl -142:sc= -0.232 (180deg=-1.37!) USER MOD Single : I 155 GLN : amide:sc=-0.00186 K(o=-0.0019,f=-1.3) USER MOD ----------------------------------------------------------------- ATOM 63 N TYR C 5 86.300 -16.475 -0.647 1.00 0.00 N ATOM 64 CA TYR C 5 85.911 -15.163 -0.134 1.00 0.00 C ATOM 65 C TYR C 5 84.783 -15.308 0.881 1.00 0.00 C ATOM 66 O TYR C 5 84.821 -14.721 1.962 1.00 0.00 O ATOM 67 CB TYR C 5 85.440 -14.251 -1.270 1.00 0.00 C ATOM 68 CG TYR C 5 86.614 -13.894 -2.147 1.00 0.00 C ATOM 69 CD1 TYR C 5 87.032 -14.778 -3.147 1.00 0.00 C ATOM 70 CD2 TYR C 5 87.287 -12.680 -1.959 1.00 0.00 C ATOM 71 CE1 TYR C 5 88.123 -14.451 -3.960 1.00 0.00 C ATOM 72 CE2 TYR C 5 88.378 -12.352 -2.773 1.00 0.00 C ATOM 73 CZ TYR C 5 88.797 -13.237 -3.774 1.00 0.00 C ATOM 74 OH TYR C 5 89.872 -12.914 -4.576 1.00 0.00 O ATOM 0 HA TYR C 5 86.785 -14.719 0.343 1.00 0.00 H new ATOM 0 HB2 TYR C 5 84.672 -14.752 -1.859 1.00 0.00 H new ATOM 0 HB3 TYR C 5 84.989 -13.347 -0.862 1.00 0.00 H new ATOM 0 HD1 TYR C 5 86.512 -15.714 -3.292 1.00 0.00 H new ATOM 0 HD2 TYR C 5 86.965 -11.997 -1.187 1.00 0.00 H new ATOM 0 HE1 TYR C 5 88.446 -15.135 -4.731 1.00 0.00 H new ATOM 0 HE2 TYR C 5 88.897 -11.416 -2.629 1.00 0.00 H new ATOM 0 HH TYR C 5 89.758 -13.326 -5.458 1.00 0.00 H new ATOM 84 N LYS C 6 83.779 -16.100 0.519 1.00 0.00 N ATOM 85 CA LYS C 6 82.640 -16.322 1.404 1.00 0.00 C ATOM 86 C LYS C 6 83.117 -16.487 2.842 1.00 0.00 C ATOM 87 O LYS C 6 82.660 -15.789 3.748 1.00 0.00 O ATOM 88 CB LYS C 6 81.869 -17.575 0.984 1.00 0.00 C ATOM 89 CG LYS C 6 80.970 -17.243 -0.208 1.00 0.00 C ATOM 90 CD LYS C 6 80.052 -16.074 0.156 1.00 0.00 C ATOM 91 CE LYS C 6 78.728 -16.210 -0.597 1.00 0.00 C ATOM 92 NZ LYS C 6 78.991 -16.701 -1.980 1.00 0.00 N ATOM 0 H LYS C 6 83.730 -16.595 -0.372 1.00 0.00 H new ATOM 0 HA LYS C 6 81.982 -15.456 1.334 1.00 0.00 H new ATOM 0 HB2 LYS C 6 82.564 -18.371 0.718 1.00 0.00 H new ATOM 0 HB3 LYS C 6 81.268 -17.941 1.816 1.00 0.00 H new ATOM 0 HG2 LYS C 6 81.578 -16.986 -1.075 1.00 0.00 H new ATOM 0 HG3 LYS C 6 80.376 -18.114 -0.483 1.00 0.00 H new ATOM 0 HD2 LYS C 6 79.871 -16.061 1.231 1.00 0.00 H new ATOM 0 HD3 LYS C 6 80.531 -15.129 -0.098 1.00 0.00 H new ATOM 0 HE2 LYS C 6 78.069 -16.902 -0.073 1.00 0.00 H new ATOM 0 HE3 LYS C 6 78.217 -15.248 -0.632 1.00 0.00 H new ATOM 0 HZ1 LYS C 6 78.200 -16.434 -2.600 1.00 0.00 H new ATOM 0 HZ2 LYS C 6 79.870 -16.276 -2.338 1.00 0.00 H new ATOM 0 HZ3 LYS C 6 79.087 -17.736 -1.968 1.00 0.00 H new ATOM 106 N ALA C 7 84.047 -17.418 3.041 1.00 0.00 N ATOM 107 CA ALA C 7 84.586 -17.668 4.374 1.00 0.00 C ATOM 108 C ALA C 7 85.030 -16.360 5.019 1.00 0.00 C ATOM 109 O ALA C 7 84.543 -15.980 6.083 1.00 0.00 O ATOM 110 CB ALA C 7 85.781 -18.621 4.299 1.00 0.00 C ATOM 0 H ALA C 7 84.439 -18.005 2.305 1.00 0.00 H new ATOM 0 HA ALA C 7 83.800 -18.123 4.977 1.00 0.00 H new ATOM 0 HB1 ALA C 7 86.170 -18.796 5.302 1.00 0.00 H new ATOM 0 HB2 ALA C 7 85.464 -19.568 3.862 1.00 0.00 H new ATOM 0 HB3 ALA C 7 86.561 -18.178 3.679 1.00 0.00 H new ATOM 116 N ALA C 8 85.960 -15.674 4.361 1.00 0.00 N ATOM 117 CA ALA C 8 86.462 -14.406 4.880 1.00 0.00 C ATOM 118 C ALA C 8 85.303 -13.468 5.202 1.00 0.00 C ATOM 119 O ALA C 8 85.271 -12.838 6.260 1.00 0.00 O ATOM 120 CB ALA C 8 87.378 -13.734 3.857 1.00 0.00 C ATOM 0 H ALA C 8 86.377 -15.970 3.478 1.00 0.00 H new ATOM 0 HA ALA C 8 87.026 -14.613 5.789 1.00 0.00 H new ATOM 0 HB1 ALA C 8 87.743 -12.790 4.261 1.00 0.00 H new ATOM 0 HB2 ALA C 8 88.223 -14.387 3.641 1.00 0.00 H new ATOM 0 HB3 ALA C 8 86.821 -13.545 2.939 1.00 0.00 H new ATOM 126 N VAL C 9 84.346 -13.385 4.280 1.00 0.00 N ATOM 127 CA VAL C 9 83.184 -12.523 4.481 1.00 0.00 C ATOM 128 C VAL C 9 82.320 -13.064 5.614 1.00 0.00 C ATOM 129 O VAL C 9 81.496 -12.348 6.184 1.00 0.00 O ATOM 130 CB VAL C 9 82.342 -12.446 3.206 1.00 0.00 C ATOM 131 CG1 VAL C 9 81.022 -11.735 3.509 1.00 0.00 C ATOM 132 CG2 VAL C 9 83.105 -11.662 2.136 1.00 0.00 C ATOM 0 H VAL C 9 84.351 -13.897 3.398 1.00 0.00 H new ATOM 0 HA VAL C 9 83.543 -11.525 4.735 1.00 0.00 H new ATOM 0 HB VAL C 9 82.140 -13.454 2.845 1.00 0.00 H new ATOM 0 HG11 VAL C 9 80.422 -11.680 2.601 1.00 0.00 H new ATOM 0 HG12 VAL C 9 80.476 -12.291 4.272 1.00 0.00 H new ATOM 0 HG13 VAL C 9 81.226 -10.727 3.871 1.00 0.00 H new ATOM 0 HG21 VAL C 9 82.505 -11.607 1.228 1.00 0.00 H new ATOM 0 HG22 VAL C 9 83.307 -10.654 2.498 1.00 0.00 H new ATOM 0 HG23 VAL C 9 84.047 -12.165 1.919 1.00 0.00 H new ATOM 142 N GLU C 10 82.520 -14.339 5.932 1.00 0.00 N ATOM 143 CA GLU C 10 81.757 -14.977 7.001 1.00 0.00 C ATOM 144 C GLU C 10 82.422 -14.715 8.347 1.00 0.00 C ATOM 145 O GLU C 10 81.756 -14.412 9.337 1.00 0.00 O ATOM 146 CB GLU C 10 81.670 -16.487 6.772 1.00 0.00 C ATOM 147 CG GLU C 10 80.748 -16.768 5.585 1.00 0.00 C ATOM 148 CD GLU C 10 79.690 -17.787 5.995 1.00 0.00 C ATOM 149 OE1 GLU C 10 79.457 -17.924 7.184 1.00 0.00 O ATOM 150 OE2 GLU C 10 79.128 -18.416 5.113 1.00 0.00 O ATOM 0 H GLU C 10 83.197 -14.947 5.470 1.00 0.00 H new ATOM 0 HA GLU C 10 80.752 -14.556 6.999 1.00 0.00 H new ATOM 0 HB2 GLU C 10 82.663 -16.895 6.580 1.00 0.00 H new ATOM 0 HB3 GLU C 10 81.290 -16.980 7.667 1.00 0.00 H new ATOM 0 HG2 GLU C 10 80.271 -15.845 5.254 1.00 0.00 H new ATOM 0 HG3 GLU C 10 81.327 -17.147 4.743 1.00 0.00 H new ATOM 157 N GLN C 11 83.746 -14.829 8.369 1.00 0.00 N ATOM 158 CA GLN C 11 84.501 -14.596 9.596 1.00 0.00 C ATOM 159 C GLN C 11 84.085 -13.276 10.224 1.00 0.00 C ATOM 160 O GLN C 11 83.832 -13.191 11.426 1.00 0.00 O ATOM 161 CB GLN C 11 85.998 -14.540 9.301 1.00 0.00 C ATOM 162 CG GLN C 11 86.493 -15.932 8.904 1.00 0.00 C ATOM 163 CD GLN C 11 87.678 -15.802 7.953 1.00 0.00 C ATOM 164 OE1 GLN C 11 88.150 -14.697 7.687 1.00 0.00 O ATOM 165 NE2 GLN C 11 88.193 -16.877 7.422 1.00 0.00 N ATOM 0 H GLN C 11 84.314 -15.079 7.560 1.00 0.00 H new ATOM 0 HA GLN C 11 84.292 -15.418 10.281 1.00 0.00 H new ATOM 0 HB2 GLN C 11 86.195 -13.830 8.498 1.00 0.00 H new ATOM 0 HB3 GLN C 11 86.539 -14.187 10.179 1.00 0.00 H new ATOM 0 HG2 GLN C 11 86.786 -16.492 9.792 1.00 0.00 H new ATOM 0 HG3 GLN C 11 85.690 -16.492 8.425 1.00 0.00 H new ATOM 0 HE21 GLN C 11 87.802 -17.793 7.643 1.00 0.00 H new ATOM 0 HE22 GLN C 11 88.987 -16.802 6.786 1.00 0.00 H new ATOM 174 N LEU C 12 84.028 -12.242 9.392 1.00 0.00 N ATOM 175 CA LEU C 12 83.652 -10.919 9.868 1.00 0.00 C ATOM 176 C LEU C 12 82.334 -10.981 10.632 1.00 0.00 C ATOM 177 O LEU C 12 81.269 -11.183 10.048 1.00 0.00 O ATOM 178 CB LEU C 12 83.509 -9.949 8.693 1.00 0.00 C ATOM 179 CG LEU C 12 84.775 -10.001 7.836 1.00 0.00 C ATOM 180 CD1 LEU C 12 84.764 -8.845 6.836 1.00 0.00 C ATOM 181 CD2 LEU C 12 86.005 -9.882 8.738 1.00 0.00 C ATOM 0 H LEU C 12 84.235 -12.294 8.395 1.00 0.00 H new ATOM 0 HA LEU C 12 84.438 -10.564 10.535 1.00 0.00 H new ATOM 0 HB2 LEU C 12 82.639 -10.213 8.092 1.00 0.00 H new ATOM 0 HB3 LEU C 12 83.347 -8.936 9.061 1.00 0.00 H new ATOM 0 HG LEU C 12 84.809 -10.947 7.296 1.00 0.00 H new ATOM 0 HD11 LEU C 12 85.666 -8.883 6.226 1.00 0.00 H new ATOM 0 HD12 LEU C 12 83.888 -8.928 6.193 1.00 0.00 H new ATOM 0 HD13 LEU C 12 84.730 -7.898 7.375 1.00 0.00 H new ATOM 0 HD21 LEU C 12 86.908 -9.919 8.129 1.00 0.00 H new ATOM 0 HD22 LEU C 12 85.970 -8.936 9.278 1.00 0.00 H new ATOM 0 HD23 LEU C 12 86.014 -10.706 9.451 1.00 0.00 H new ATOM 193 N THR C 13 82.421 -10.807 11.947 1.00 0.00 N ATOM 194 CA THR C 13 81.231 -10.846 12.791 1.00 0.00 C ATOM 195 C THR C 13 80.420 -9.566 12.625 1.00 0.00 C ATOM 196 O THR C 13 80.929 -8.545 12.162 1.00 0.00 O ATOM 197 CB THR C 13 81.621 -11.003 14.263 1.00 0.00 C ATOM 198 OG1 THR C 13 82.416 -9.894 14.661 1.00 0.00 O ATOM 199 CG2 THR C 13 82.415 -12.297 14.447 1.00 0.00 C ATOM 0 H THR C 13 83.294 -10.639 12.448 1.00 0.00 H new ATOM 0 HA THR C 13 80.629 -11.701 12.484 1.00 0.00 H new ATOM 0 HB THR C 13 80.721 -11.043 14.876 1.00 0.00 H new ATOM 0 HG1 THR C 13 82.835 -10.086 15.526 1.00 0.00 H new ATOM 0 HG21 THR C 13 82.692 -12.408 15.495 1.00 0.00 H new ATOM 0 HG22 THR C 13 81.803 -13.146 14.142 1.00 0.00 H new ATOM 0 HG23 THR C 13 83.316 -12.261 13.835 1.00 0.00 H new ATOM 207 N GLU C 14 79.150 -9.636 13.009 1.00 0.00 N ATOM 208 CA GLU C 14 78.265 -8.480 12.902 1.00 0.00 C ATOM 209 C GLU C 14 79.001 -7.205 13.300 1.00 0.00 C ATOM 210 O GLU C 14 78.799 -6.143 12.711 1.00 0.00 O ATOM 211 CB GLU C 14 77.048 -8.657 13.811 1.00 0.00 C ATOM 212 CG GLU C 14 77.475 -8.500 15.272 1.00 0.00 C ATOM 213 CD GLU C 14 76.335 -8.933 16.185 1.00 0.00 C ATOM 214 OE1 GLU C 14 75.482 -8.108 16.467 1.00 0.00 O ATOM 215 OE2 GLU C 14 76.330 -10.085 16.589 1.00 0.00 O ATOM 0 H GLU C 14 78.712 -10.473 13.394 1.00 0.00 H new ATOM 0 HA GLU C 14 77.938 -8.400 11.865 1.00 0.00 H new ATOM 0 HB2 GLU C 14 76.285 -7.919 13.563 1.00 0.00 H new ATOM 0 HB3 GLU C 14 76.604 -9.640 13.654 1.00 0.00 H new ATOM 0 HG2 GLU C 14 78.362 -9.102 15.469 1.00 0.00 H new ATOM 0 HG3 GLU C 14 77.743 -7.463 15.474 1.00 0.00 H new ATOM 222 N GLU C 15 79.854 -7.322 14.312 1.00 0.00 N ATOM 223 CA GLU C 15 80.617 -6.174 14.792 1.00 0.00 C ATOM 224 C GLU C 15 81.143 -5.346 13.623 1.00 0.00 C ATOM 225 O GLU C 15 80.659 -4.246 13.358 1.00 0.00 O ATOM 226 CB GLU C 15 81.799 -6.635 15.644 1.00 0.00 C ATOM 227 CG GLU C 15 81.314 -7.653 16.679 1.00 0.00 C ATOM 228 CD GLU C 15 82.051 -7.433 17.996 1.00 0.00 C ATOM 229 OE1 GLU C 15 83.216 -7.787 18.066 1.00 0.00 O ATOM 230 OE2 GLU C 15 81.438 -6.913 18.914 1.00 0.00 O ATOM 0 H GLU C 15 80.034 -8.192 14.813 1.00 0.00 H new ATOM 0 HA GLU C 15 79.948 -5.561 15.396 1.00 0.00 H new ATOM 0 HB2 GLU C 15 82.566 -7.081 15.011 1.00 0.00 H new ATOM 0 HB3 GLU C 15 82.256 -5.781 16.144 1.00 0.00 H new ATOM 0 HG2 GLU C 15 80.239 -7.550 16.830 1.00 0.00 H new ATOM 0 HG3 GLU C 15 81.489 -8.666 16.317 1.00 0.00 H new ATOM 237 N GLN C 16 82.144 -5.883 12.929 1.00 0.00 N ATOM 238 CA GLN C 16 82.730 -5.176 11.796 1.00 0.00 C ATOM 239 C GLN C 16 81.695 -5.032 10.680 1.00 0.00 C ATOM 240 O GLN C 16 81.554 -3.967 10.077 1.00 0.00 O ATOM 241 CB GLN C 16 83.995 -5.917 11.299 1.00 0.00 C ATOM 242 CG GLN C 16 83.863 -6.360 9.834 1.00 0.00 C ATOM 243 CD GLN C 16 85.240 -6.732 9.297 1.00 0.00 C ATOM 244 OE1 GLN C 16 85.999 -7.443 9.956 1.00 0.00 O ATOM 245 NE2 GLN C 16 85.615 -6.286 8.130 1.00 0.00 N ATOM 0 H GLN C 16 82.561 -6.792 13.128 1.00 0.00 H new ATOM 0 HA GLN C 16 83.031 -4.177 12.111 1.00 0.00 H new ATOM 0 HB2 GLN C 16 84.862 -5.265 11.404 1.00 0.00 H new ATOM 0 HB3 GLN C 16 84.174 -6.790 11.927 1.00 0.00 H new ATOM 0 HG2 GLN C 16 83.188 -7.212 9.759 1.00 0.00 H new ATOM 0 HG3 GLN C 16 83.431 -5.557 9.236 1.00 0.00 H new ATOM 0 HE21 GLN C 16 84.987 -5.697 7.583 1.00 0.00 H new ATOM 0 HE22 GLN C 16 86.536 -6.526 7.764 1.00 0.00 H new ATOM 254 N LYS C 17 80.968 -6.114 10.418 1.00 0.00 N ATOM 255 CA LYS C 17 79.944 -6.092 9.379 1.00 0.00 C ATOM 256 C LYS C 17 79.078 -4.848 9.531 1.00 0.00 C ATOM 257 O LYS C 17 78.620 -4.266 8.548 1.00 0.00 O ATOM 258 CB LYS C 17 79.056 -7.334 9.473 1.00 0.00 C ATOM 259 CG LYS C 17 79.901 -8.586 9.220 1.00 0.00 C ATOM 260 CD LYS C 17 80.387 -8.589 7.769 1.00 0.00 C ATOM 261 CE LYS C 17 79.688 -9.710 6.999 1.00 0.00 C ATOM 262 NZ LYS C 17 79.343 -9.230 5.631 1.00 0.00 N ATOM 0 H LYS C 17 81.066 -7.006 10.903 1.00 0.00 H new ATOM 0 HA LYS C 17 80.441 -6.080 8.409 1.00 0.00 H new ATOM 0 HB2 LYS C 17 78.592 -7.388 10.458 1.00 0.00 H new ATOM 0 HB3 LYS C 17 78.249 -7.273 8.743 1.00 0.00 H new ATOM 0 HG2 LYS C 17 80.753 -8.606 9.900 1.00 0.00 H new ATOM 0 HG3 LYS C 17 79.312 -9.481 9.419 1.00 0.00 H new ATOM 0 HD2 LYS C 17 80.177 -7.627 7.302 1.00 0.00 H new ATOM 0 HD3 LYS C 17 81.467 -8.730 7.737 1.00 0.00 H new ATOM 0 HE2 LYS C 17 80.337 -10.583 6.937 1.00 0.00 H new ATOM 0 HE3 LYS C 17 78.786 -10.020 7.526 1.00 0.00 H new ATOM 0 HZ1 LYS C 17 78.867 -9.991 5.106 1.00 0.00 H new ATOM 0 HZ2 LYS C 17 78.709 -8.409 5.701 1.00 0.00 H new ATOM 0 HZ3 LYS C 17 80.212 -8.954 5.130 1.00 0.00 H new ATOM 276 N ASN C 18 78.866 -4.442 10.781 1.00 0.00 N ATOM 277 CA ASN C 18 78.059 -3.259 11.061 1.00 0.00 C ATOM 278 C ASN C 18 78.780 -2.009 10.569 1.00 0.00 C ATOM 279 O ASN C 18 78.438 -1.445 9.529 1.00 0.00 O ATOM 280 CB ASN C 18 77.799 -3.128 12.562 1.00 0.00 C ATOM 281 CG ASN C 18 76.787 -4.183 12.997 1.00 0.00 C ATOM 282 OD1 ASN C 18 76.233 -4.900 12.165 1.00 0.00 O ATOM 283 ND2 ASN C 18 76.511 -4.321 14.265 1.00 0.00 N ATOM 0 H ASN C 18 79.238 -4.910 11.608 1.00 0.00 H new ATOM 0 HA ASN C 18 77.107 -3.365 10.541 1.00 0.00 H new ATOM 0 HB2 ASN C 18 78.730 -3.252 13.115 1.00 0.00 H new ATOM 0 HB3 ASN C 18 77.422 -2.131 12.791 1.00 0.00 H new ATOM 0 HD21 ASN C 18 75.836 -5.024 14.566 1.00 0.00 H new ATOM 0 HD22 ASN C 18 76.971 -3.726 14.955 1.00 0.00 H new ATOM 290 N GLU C 19 79.788 -1.586 11.328 1.00 0.00 N ATOM 291 CA GLU C 19 80.561 -0.404 10.958 1.00 0.00 C ATOM 292 C GLU C 19 80.782 -0.374 9.450 1.00 0.00 C ATOM 293 O GLU C 19 80.877 0.691 8.840 1.00 0.00 O ATOM 294 CB GLU C 19 81.921 -0.407 11.662 1.00 0.00 C ATOM 295 CG GLU C 19 82.523 -1.813 11.617 1.00 0.00 C ATOM 296 CD GLU C 19 83.792 -1.851 12.462 1.00 0.00 C ATOM 297 OE1 GLU C 19 83.711 -1.515 13.632 1.00 0.00 O ATOM 298 OE2 GLU C 19 84.825 -2.215 11.926 1.00 0.00 O ATOM 0 H GLU C 19 80.086 -2.038 12.193 1.00 0.00 H new ATOM 0 HA GLU C 19 80.000 0.478 11.266 1.00 0.00 H new ATOM 0 HB2 GLU C 19 82.593 0.302 11.179 1.00 0.00 H new ATOM 0 HB3 GLU C 19 81.806 -0.083 12.696 1.00 0.00 H new ATOM 0 HG2 GLU C 19 81.803 -2.541 11.991 1.00 0.00 H new ATOM 0 HG3 GLU C 19 82.751 -2.090 10.588 1.00 0.00 H new ATOM 305 N PHE C 20 80.859 -1.562 8.856 1.00 0.00 N ATOM 306 CA PHE C 20 81.066 -1.672 7.415 1.00 0.00 C ATOM 307 C PHE C 20 79.832 -1.185 6.666 1.00 0.00 C ATOM 308 O PHE C 20 79.905 -0.268 5.848 1.00 0.00 O ATOM 309 CB PHE C 20 81.345 -3.124 7.022 1.00 0.00 C ATOM 310 CG PHE C 20 82.592 -3.186 6.176 1.00 0.00 C ATOM 311 CD1 PHE C 20 82.796 -2.245 5.161 1.00 0.00 C ATOM 312 CD2 PHE C 20 83.544 -4.186 6.405 1.00 0.00 C ATOM 313 CE1 PHE C 20 83.953 -2.303 4.375 1.00 0.00 C ATOM 314 CE2 PHE C 20 84.701 -4.245 5.620 1.00 0.00 C ATOM 315 CZ PHE C 20 84.905 -3.303 4.604 1.00 0.00 C ATOM 0 H PHE C 20 80.782 -2.454 9.345 1.00 0.00 H new ATOM 0 HA PHE C 20 81.924 -1.054 7.149 1.00 0.00 H new ATOM 0 HB2 PHE C 20 81.468 -3.736 7.915 1.00 0.00 H new ATOM 0 HB3 PHE C 20 80.498 -3.532 6.470 1.00 0.00 H new ATOM 0 HD1 PHE C 20 82.061 -1.474 4.984 1.00 0.00 H new ATOM 0 HD2 PHE C 20 83.386 -4.913 7.188 1.00 0.00 H new ATOM 0 HE1 PHE C 20 84.111 -1.576 3.592 1.00 0.00 H new ATOM 0 HE2 PHE C 20 85.436 -5.016 5.798 1.00 0.00 H new ATOM 0 HZ PHE C 20 85.797 -3.348 3.997 1.00 0.00 H new ATOM 325 N LYS C 21 78.694 -1.810 6.957 1.00 0.00 N ATOM 326 CA LYS C 21 77.443 -1.432 6.309 1.00 0.00 C ATOM 327 C LYS C 21 77.194 0.061 6.487 1.00 0.00 C ATOM 328 O LYS C 21 76.603 0.716 5.629 1.00 0.00 O ATOM 329 CB LYS C 21 76.274 -2.217 6.903 1.00 0.00 C ATOM 330 CG LYS C 21 76.578 -3.713 6.815 1.00 0.00 C ATOM 331 CD LYS C 21 75.497 -4.408 5.986 1.00 0.00 C ATOM 332 CE LYS C 21 75.920 -5.851 5.704 1.00 0.00 C ATOM 333 NZ LYS C 21 75.618 -6.700 6.892 1.00 0.00 N ATOM 0 H LYS C 21 78.613 -2.572 7.630 1.00 0.00 H new ATOM 0 HA LYS C 21 77.522 -1.663 5.247 1.00 0.00 H new ATOM 0 HB2 LYS C 21 76.115 -1.926 7.941 1.00 0.00 H new ATOM 0 HB3 LYS C 21 75.355 -1.988 6.364 1.00 0.00 H new ATOM 0 HG2 LYS C 21 77.556 -3.870 6.360 1.00 0.00 H new ATOM 0 HG3 LYS C 21 76.618 -4.146 7.815 1.00 0.00 H new ATOM 0 HD2 LYS C 21 74.548 -4.394 6.522 1.00 0.00 H new ATOM 0 HD3 LYS C 21 75.342 -3.873 5.049 1.00 0.00 H new ATOM 0 HE2 LYS C 21 75.393 -6.231 4.829 1.00 0.00 H new ATOM 0 HE3 LYS C 21 76.985 -5.891 5.477 1.00 0.00 H new ATOM 0 HZ1 LYS C 21 75.906 -7.681 6.700 1.00 0.00 H new ATOM 0 HZ2 LYS C 21 76.140 -6.341 7.717 1.00 0.00 H new ATOM 0 HZ3 LYS C 21 74.597 -6.671 7.089 1.00 0.00 H new ATOM 347 N ALA C 22 77.669 0.595 7.608 1.00 0.00 N ATOM 348 CA ALA C 22 77.512 2.020 7.881 1.00 0.00 C ATOM 349 C ALA C 22 78.204 2.820 6.790 1.00 0.00 C ATOM 350 O ALA C 22 77.604 3.693 6.165 1.00 0.00 O ATOM 351 CB ALA C 22 78.122 2.381 9.237 1.00 0.00 C ATOM 0 H ALA C 22 78.159 0.071 8.333 1.00 0.00 H new ATOM 0 HA ALA C 22 76.448 2.257 7.902 1.00 0.00 H new ATOM 0 HB1 ALA C 22 77.994 3.448 9.421 1.00 0.00 H new ATOM 0 HB2 ALA C 22 77.622 1.815 10.023 1.00 0.00 H new ATOM 0 HB3 ALA C 22 79.185 2.138 9.234 1.00 0.00 H new ATOM 357 N ALA C 23 79.472 2.498 6.552 1.00 0.00 N ATOM 358 CA ALA C 23 80.231 3.184 5.516 1.00 0.00 C ATOM 359 C ALA C 23 79.632 2.878 4.148 1.00 0.00 C ATOM 360 O ALA C 23 79.894 3.575 3.168 1.00 0.00 O ATOM 361 CB ALA C 23 81.696 2.748 5.536 1.00 0.00 C ATOM 0 H ALA C 23 79.988 1.777 7.055 1.00 0.00 H new ATOM 0 HA ALA C 23 80.182 4.256 5.709 1.00 0.00 H new ATOM 0 HB1 ALA C 23 82.243 3.274 4.753 1.00 0.00 H new ATOM 0 HB2 ALA C 23 82.133 2.985 6.506 1.00 0.00 H new ATOM 0 HB3 ALA C 23 81.758 1.674 5.363 1.00 0.00 H new ATOM 367 N PHE C 24 78.807 1.833 4.099 1.00 0.00 N ATOM 368 CA PHE C 24 78.155 1.450 2.851 1.00 0.00 C ATOM 369 C PHE C 24 77.096 2.484 2.498 1.00 0.00 C ATOM 370 O PHE C 24 76.753 2.681 1.334 1.00 0.00 O ATOM 371 CB PHE C 24 77.488 0.078 2.986 1.00 0.00 C ATOM 372 CG PHE C 24 78.219 -0.933 2.137 1.00 0.00 C ATOM 373 CD1 PHE C 24 78.704 -0.574 0.874 1.00 0.00 C ATOM 374 CD2 PHE C 24 78.409 -2.234 2.615 1.00 0.00 C ATOM 375 CE1 PHE C 24 79.378 -1.516 0.089 1.00 0.00 C ATOM 376 CE2 PHE C 24 79.082 -3.176 1.832 1.00 0.00 C ATOM 377 CZ PHE C 24 79.567 -2.818 0.568 1.00 0.00 C ATOM 0 H PHE C 24 78.577 1.244 4.899 1.00 0.00 H new ATOM 0 HA PHE C 24 78.910 1.399 2.066 1.00 0.00 H new ATOM 0 HB2 PHE C 24 77.494 -0.238 4.029 1.00 0.00 H new ATOM 0 HB3 PHE C 24 76.444 0.139 2.677 1.00 0.00 H new ATOM 0 HD1 PHE C 24 78.558 0.431 0.505 1.00 0.00 H new ATOM 0 HD2 PHE C 24 78.035 -2.511 3.590 1.00 0.00 H new ATOM 0 HE1 PHE C 24 79.752 -1.239 -0.886 1.00 0.00 H new ATOM 0 HE2 PHE C 24 79.228 -4.180 2.202 1.00 0.00 H new ATOM 0 HZ PHE C 24 80.087 -3.546 -0.037 1.00 0.00 H new ATOM 387 N ASP C 25 76.590 3.153 3.526 1.00 0.00 N ATOM 388 CA ASP C 25 75.579 4.183 3.330 1.00 0.00 C ATOM 389 C ASP C 25 76.248 5.522 3.038 1.00 0.00 C ATOM 390 O ASP C 25 75.610 6.573 3.084 1.00 0.00 O ATOM 391 CB ASP C 25 74.713 4.325 4.584 1.00 0.00 C ATOM 392 CG ASP C 25 73.298 3.843 4.285 1.00 0.00 C ATOM 393 OD1 ASP C 25 72.791 4.176 3.226 1.00 0.00 O ATOM 394 OD2 ASP C 25 72.742 3.148 5.120 1.00 0.00 O ATOM 0 H ASP C 25 76.861 3.002 4.498 1.00 0.00 H new ATOM 0 HA ASP C 25 74.952 3.892 2.487 1.00 0.00 H new ATOM 0 HB2 ASP C 25 75.141 3.744 5.401 1.00 0.00 H new ATOM 0 HB3 ASP C 25 74.693 5.365 4.908 1.00 0.00 H new ATOM 399 N ILE C 26 77.548 5.474 2.748 1.00 0.00 N ATOM 400 CA ILE C 26 78.298 6.695 2.465 1.00 0.00 C ATOM 401 C ILE C 26 79.003 6.602 1.113 1.00 0.00 C ATOM 402 O ILE C 26 79.139 7.598 0.402 1.00 0.00 O ATOM 403 CB ILE C 26 79.349 6.961 3.549 1.00 0.00 C ATOM 404 CG1 ILE C 26 79.077 6.076 4.767 1.00 0.00 C ATOM 405 CG2 ILE C 26 79.289 8.429 3.968 1.00 0.00 C ATOM 406 CD1 ILE C 26 77.839 6.579 5.510 1.00 0.00 C ATOM 0 H ILE C 26 78.096 4.615 2.703 1.00 0.00 H new ATOM 0 HA ILE C 26 77.580 7.515 2.447 1.00 0.00 H new ATOM 0 HB ILE C 26 80.338 6.732 3.151 1.00 0.00 H new ATOM 0 HG12 ILE C 26 78.928 5.044 4.451 1.00 0.00 H new ATOM 0 HG13 ILE C 26 79.940 6.084 5.433 1.00 0.00 H new ATOM 0 HG21 ILE C 26 80.036 8.618 4.739 1.00 0.00 H new ATOM 0 HG22 ILE C 26 79.490 9.062 3.104 1.00 0.00 H new ATOM 0 HG23 ILE C 26 78.298 8.655 4.361 1.00 0.00 H new ATOM 0 HD11 ILE C 26 77.651 5.944 6.376 1.00 0.00 H new ATOM 0 HD12 ILE C 26 78.005 7.604 5.841 1.00 0.00 H new ATOM 0 HD13 ILE C 26 76.977 6.548 4.844 1.00 0.00 H new ATOM 418 N PHE C 27 79.463 5.400 0.768 1.00 0.00 N ATOM 419 CA PHE C 27 80.165 5.207 -0.500 1.00 0.00 C ATOM 420 C PHE C 27 79.221 5.421 -1.683 1.00 0.00 C ATOM 421 O PHE C 27 79.655 5.520 -2.831 1.00 0.00 O ATOM 422 CB PHE C 27 80.797 3.808 -0.569 1.00 0.00 C ATOM 423 CG PHE C 27 79.779 2.771 -0.991 1.00 0.00 C ATOM 424 CD1 PHE C 27 78.447 2.874 -0.578 1.00 0.00 C ATOM 425 CD2 PHE C 27 80.180 1.695 -1.791 1.00 0.00 C ATOM 426 CE1 PHE C 27 77.516 1.900 -0.968 1.00 0.00 C ATOM 427 CE2 PHE C 27 79.252 0.722 -2.179 1.00 0.00 C ATOM 428 CZ PHE C 27 77.920 0.825 -1.768 1.00 0.00 C ATOM 0 H PHE C 27 79.365 4.559 1.337 1.00 0.00 H new ATOM 0 HA PHE C 27 80.962 5.948 -0.556 1.00 0.00 H new ATOM 0 HB2 PHE C 27 81.628 3.815 -1.275 1.00 0.00 H new ATOM 0 HB3 PHE C 27 81.209 3.543 0.405 1.00 0.00 H new ATOM 0 HD1 PHE C 27 78.135 3.703 0.041 1.00 0.00 H new ATOM 0 HD2 PHE C 27 81.209 1.615 -2.110 1.00 0.00 H new ATOM 0 HE1 PHE C 27 76.487 1.980 -0.651 1.00 0.00 H new ATOM 0 HE2 PHE C 27 79.565 -0.108 -2.795 1.00 0.00 H new ATOM 0 HZ PHE C 27 77.203 0.075 -2.068 1.00 0.00 H new ATOM 438 N VAL C 28 77.927 5.510 -1.386 1.00 0.00 N ATOM 439 CA VAL C 28 76.923 5.736 -2.427 1.00 0.00 C ATOM 440 C VAL C 28 75.826 6.653 -1.895 1.00 0.00 C ATOM 441 O VAL C 28 74.680 6.600 -2.341 1.00 0.00 O ATOM 442 CB VAL C 28 76.285 4.418 -2.876 1.00 0.00 C ATOM 443 CG1 VAL C 28 77.367 3.444 -3.349 1.00 0.00 C ATOM 444 CG2 VAL C 28 75.516 3.805 -1.704 1.00 0.00 C ATOM 0 H VAL C 28 77.549 5.430 -0.442 1.00 0.00 H new ATOM 0 HA VAL C 28 77.423 6.196 -3.279 1.00 0.00 H new ATOM 0 HB VAL C 28 75.601 4.612 -3.702 1.00 0.00 H new ATOM 0 HG11 VAL C 28 76.903 2.510 -3.666 1.00 0.00 H new ATOM 0 HG12 VAL C 28 77.910 3.882 -4.187 1.00 0.00 H new ATOM 0 HG13 VAL C 28 78.060 3.245 -2.532 1.00 0.00 H new ATOM 0 HG21 VAL C 28 75.060 2.866 -2.019 1.00 0.00 H new ATOM 0 HG22 VAL C 28 76.202 3.616 -0.878 1.00 0.00 H new ATOM 0 HG23 VAL C 28 74.738 4.495 -1.379 1.00 0.00 H new ATOM 454 N LEU C 29 76.192 7.488 -0.924 1.00 0.00 N ATOM 455 CA LEU C 29 75.234 8.411 -0.318 1.00 0.00 C ATOM 456 C LEU C 29 74.686 9.388 -1.357 1.00 0.00 C ATOM 457 O LEU C 29 73.695 10.079 -1.121 1.00 0.00 O ATOM 458 CB LEU C 29 75.897 9.188 0.831 1.00 0.00 C ATOM 459 CG LEU C 29 76.645 10.411 0.287 1.00 0.00 C ATOM 460 CD1 LEU C 29 75.853 11.680 0.606 1.00 0.00 C ATOM 461 CD2 LEU C 29 78.027 10.494 0.940 1.00 0.00 C ATOM 0 H LEU C 29 77.136 7.545 -0.543 1.00 0.00 H new ATOM 0 HA LEU C 29 74.404 7.826 0.078 1.00 0.00 H new ATOM 0 HB2 LEU C 29 75.140 9.506 1.548 1.00 0.00 H new ATOM 0 HB3 LEU C 29 76.590 8.538 1.366 1.00 0.00 H new ATOM 0 HG LEU C 29 76.757 10.317 -0.793 1.00 0.00 H new ATOM 0 HD11 LEU C 29 76.386 12.548 0.219 1.00 0.00 H new ATOM 0 HD12 LEU C 29 74.869 11.621 0.141 1.00 0.00 H new ATOM 0 HD13 LEU C 29 75.739 11.776 1.686 1.00 0.00 H new ATOM 0 HD21 LEU C 29 78.560 11.363 0.554 1.00 0.00 H new ATOM 0 HD22 LEU C 29 77.914 10.588 2.020 1.00 0.00 H new ATOM 0 HD23 LEU C 29 78.592 9.591 0.711 1.00 0.00 H new ATOM 473 N GLY C 30 75.345 9.431 -2.506 1.00 0.00 N ATOM 474 CA GLY C 30 74.924 10.321 -3.584 1.00 0.00 C ATOM 475 C GLY C 30 74.646 9.535 -4.862 1.00 0.00 C ATOM 476 O GLY C 30 74.249 10.100 -5.881 1.00 0.00 O ATOM 0 H GLY C 30 76.167 8.866 -2.717 1.00 0.00 H new ATOM 0 HA2 GLY C 30 74.028 10.864 -3.284 1.00 0.00 H new ATOM 0 HA3 GLY C 30 75.699 11.064 -3.771 1.00 0.00 H new ATOM 480 N ALA C 31 74.859 8.223 -4.796 1.00 0.00 N ATOM 481 CA ALA C 31 74.628 7.363 -5.953 1.00 0.00 C ATOM 482 C ALA C 31 73.147 7.026 -6.081 1.00 0.00 C ATOM 483 O ALA C 31 72.316 7.501 -5.307 1.00 0.00 O ATOM 484 CB ALA C 31 75.421 6.063 -5.818 1.00 0.00 C ATOM 0 H ALA C 31 75.188 7.736 -3.962 1.00 0.00 H new ATOM 0 HA ALA C 31 74.957 7.901 -6.842 1.00 0.00 H new ATOM 0 HB1 ALA C 31 75.238 5.433 -6.688 1.00 0.00 H new ATOM 0 HB2 ALA C 31 76.485 6.291 -5.752 1.00 0.00 H new ATOM 0 HB3 ALA C 31 75.106 5.537 -4.917 1.00 0.00 H new ATOM 490 N GLU C 32 72.828 6.194 -7.068 1.00 0.00 N ATOM 491 CA GLU C 32 71.445 5.789 -7.294 1.00 0.00 C ATOM 492 C GLU C 32 71.195 4.408 -6.696 1.00 0.00 C ATOM 493 O GLU C 32 70.158 4.160 -6.080 1.00 0.00 O ATOM 494 CB GLU C 32 71.139 5.747 -8.791 1.00 0.00 C ATOM 495 CG GLU C 32 69.651 6.020 -9.015 1.00 0.00 C ATOM 496 CD GLU C 32 69.103 5.034 -10.040 1.00 0.00 C ATOM 497 OE1 GLU C 32 68.979 3.867 -9.704 1.00 0.00 O ATOM 498 OE2 GLU C 32 68.814 5.459 -11.147 1.00 0.00 O ATOM 0 H GLU C 32 73.502 5.790 -7.719 1.00 0.00 H new ATOM 0 HA GLU C 32 70.794 6.519 -6.812 1.00 0.00 H new ATOM 0 HB2 GLU C 32 71.739 6.490 -9.317 1.00 0.00 H new ATOM 0 HB3 GLU C 32 71.407 4.773 -9.201 1.00 0.00 H new ATOM 0 HG2 GLU C 32 69.107 5.924 -8.075 1.00 0.00 H new ATOM 0 HG3 GLU C 32 69.506 7.042 -9.364 1.00 0.00 H new ATOM 505 N ASP C 33 72.162 3.515 -6.884 1.00 0.00 N ATOM 506 CA ASP C 33 72.046 2.157 -6.360 1.00 0.00 C ATOM 507 C ASP C 33 73.067 1.931 -5.247 1.00 0.00 C ATOM 508 O ASP C 33 72.751 2.050 -4.063 1.00 0.00 O ATOM 509 CB ASP C 33 72.276 1.126 -7.470 1.00 0.00 C ATOM 510 CG ASP C 33 73.200 1.711 -8.534 1.00 0.00 C ATOM 511 OD1 ASP C 33 74.404 1.615 -8.363 1.00 0.00 O ATOM 512 OD2 ASP C 33 72.690 2.247 -9.504 1.00 0.00 O ATOM 0 H ASP C 33 73.027 3.704 -7.390 1.00 0.00 H new ATOM 0 HA ASP C 33 71.039 2.035 -5.962 1.00 0.00 H new ATOM 0 HB2 ASP C 33 72.715 0.220 -7.052 1.00 0.00 H new ATOM 0 HB3 ASP C 33 71.324 0.842 -7.918 1.00 0.00 H new ATOM 517 N GLY C 34 74.296 1.608 -5.641 1.00 0.00 N ATOM 518 CA GLY C 34 75.359 1.371 -4.668 1.00 0.00 C ATOM 519 C GLY C 34 76.725 1.407 -5.344 1.00 0.00 C ATOM 520 O GLY C 34 77.659 0.723 -4.926 1.00 0.00 O ATOM 0 H GLY C 34 74.579 1.505 -6.616 1.00 0.00 H new ATOM 0 HA2 GLY C 34 75.316 2.126 -3.883 1.00 0.00 H new ATOM 0 HA3 GLY C 34 75.211 0.404 -4.188 1.00 0.00 H new ATOM 524 N CYS C 35 76.829 2.211 -6.399 1.00 0.00 N ATOM 525 CA CYS C 35 78.087 2.328 -7.132 1.00 0.00 C ATOM 526 C CYS C 35 78.933 3.467 -6.571 1.00 0.00 C ATOM 527 O CYS C 35 78.410 4.477 -6.102 1.00 0.00 O ATOM 528 CB CYS C 35 77.823 2.587 -8.617 1.00 0.00 C ATOM 529 SG CYS C 35 77.085 1.112 -9.363 1.00 0.00 S ATOM 0 H CYS C 35 76.068 2.785 -6.762 1.00 0.00 H new ATOM 0 HA CYS C 35 78.626 1.388 -7.019 1.00 0.00 H new ATOM 0 HB2 CYS C 35 77.156 3.441 -8.735 1.00 0.00 H new ATOM 0 HB3 CYS C 35 78.754 2.838 -9.125 1.00 0.00 H new ATOM 0 HG CYS C 35 75.859 0.983 -8.949 1.00 0.00 H new ATOM 535 N ILE C 36 80.250 3.288 -6.626 1.00 0.00 N ATOM 536 CA ILE C 36 81.168 4.305 -6.118 1.00 0.00 C ATOM 537 C ILE C 36 81.912 4.975 -7.269 1.00 0.00 C ATOM 538 O ILE C 36 82.992 4.537 -7.665 1.00 0.00 O ATOM 539 CB ILE C 36 82.192 3.682 -5.167 1.00 0.00 C ATOM 540 CG1 ILE C 36 81.506 2.653 -4.266 1.00 0.00 C ATOM 541 CG2 ILE C 36 82.813 4.775 -4.297 1.00 0.00 C ATOM 542 CD1 ILE C 36 82.324 1.361 -4.258 1.00 0.00 C ATOM 0 H ILE C 36 80.702 2.459 -7.012 1.00 0.00 H new ATOM 0 HA ILE C 36 80.577 5.047 -5.581 1.00 0.00 H new ATOM 0 HB ILE C 36 82.969 3.191 -5.753 1.00 0.00 H new ATOM 0 HG12 ILE C 36 81.414 3.044 -3.253 1.00 0.00 H new ATOM 0 HG13 ILE C 36 80.496 2.455 -4.625 1.00 0.00 H new ATOM 0 HG21 ILE C 36 83.542 4.330 -3.620 1.00 0.00 H new ATOM 0 HG22 ILE C 36 83.308 5.509 -4.933 1.00 0.00 H new ATOM 0 HG23 ILE C 36 82.032 5.266 -3.717 1.00 0.00 H new ATOM 0 HD11 ILE C 36 81.837 0.626 -3.617 1.00 0.00 H new ATOM 0 HD12 ILE C 36 82.393 0.968 -5.272 1.00 0.00 H new ATOM 0 HD13 ILE C 36 83.325 1.567 -3.879 1.00 0.00 H new ATOM 554 N SER C 37 81.325 6.044 -7.800 1.00 0.00 N ATOM 555 CA SER C 37 81.948 6.768 -8.903 1.00 0.00 C ATOM 556 C SER C 37 83.216 7.468 -8.423 1.00 0.00 C ATOM 557 O SER C 37 83.337 7.830 -7.253 1.00 0.00 O ATOM 558 CB SER C 37 80.979 7.803 -9.483 1.00 0.00 C ATOM 559 OG SER C 37 81.414 9.113 -9.141 1.00 0.00 O ATOM 0 H SER C 37 80.431 6.424 -7.489 1.00 0.00 H new ATOM 0 HA SER C 37 82.205 6.050 -9.682 1.00 0.00 H new ATOM 0 HB2 SER C 37 80.926 7.698 -10.567 1.00 0.00 H new ATOM 0 HB3 SER C 37 79.974 7.631 -9.097 1.00 0.00 H new ATOM 0 HG SER C 37 80.793 9.772 -9.515 1.00 0.00 H new ATOM 565 N THR C 38 84.160 7.649 -9.340 1.00 0.00 N ATOM 566 CA THR C 38 85.420 8.303 -9.002 1.00 0.00 C ATOM 567 C THR C 38 85.160 9.672 -8.383 1.00 0.00 C ATOM 568 O THR C 38 85.801 10.060 -7.405 1.00 0.00 O ATOM 569 CB THR C 38 86.285 8.471 -10.254 1.00 0.00 C ATOM 570 OG1 THR C 38 85.828 9.593 -10.997 1.00 0.00 O ATOM 571 CG2 THR C 38 86.188 7.210 -11.116 1.00 0.00 C ATOM 0 H THR C 38 84.079 7.356 -10.314 1.00 0.00 H new ATOM 0 HA THR C 38 85.945 7.676 -8.281 1.00 0.00 H new ATOM 0 HB THR C 38 87.323 8.629 -9.961 1.00 0.00 H new ATOM 0 HG1 THR C 38 86.382 9.703 -11.798 1.00 0.00 H new ATOM 0 HG21 THR C 38 86.804 7.330 -12.007 1.00 0.00 H new ATOM 0 HG22 THR C 38 86.540 6.351 -10.545 1.00 0.00 H new ATOM 0 HG23 THR C 38 85.151 7.050 -11.411 1.00 0.00 H new ATOM 579 N LYS C 39 84.207 10.396 -8.962 1.00 0.00 N ATOM 580 CA LYS C 39 83.859 11.724 -8.463 1.00 0.00 C ATOM 581 C LYS C 39 82.917 11.618 -7.266 1.00 0.00 C ATOM 582 O LYS C 39 82.683 12.594 -6.555 1.00 0.00 O ATOM 583 CB LYS C 39 83.174 12.544 -9.558 1.00 0.00 C ATOM 584 CG LYS C 39 84.206 13.435 -10.253 1.00 0.00 C ATOM 585 CD LYS C 39 83.508 14.304 -11.300 1.00 0.00 C ATOM 586 CE LYS C 39 83.704 13.691 -12.687 1.00 0.00 C ATOM 587 NZ LYS C 39 84.332 14.696 -13.589 1.00 0.00 N ATOM 0 H LYS C 39 83.665 10.090 -9.770 1.00 0.00 H new ATOM 0 HA LYS C 39 84.781 12.218 -8.158 1.00 0.00 H new ATOM 0 HB2 LYS C 39 82.704 11.880 -10.284 1.00 0.00 H new ATOM 0 HB3 LYS C 39 82.382 13.156 -9.126 1.00 0.00 H new ATOM 0 HG2 LYS C 39 84.711 14.065 -9.520 1.00 0.00 H new ATOM 0 HG3 LYS C 39 84.972 12.821 -10.727 1.00 0.00 H new ATOM 0 HD2 LYS C 39 82.445 14.382 -11.073 1.00 0.00 H new ATOM 0 HD3 LYS C 39 83.914 15.315 -11.277 1.00 0.00 H new ATOM 0 HE2 LYS C 39 84.334 12.804 -12.619 1.00 0.00 H new ATOM 0 HE3 LYS C 39 82.745 13.370 -13.094 1.00 0.00 H new ATOM 0 HZ1 LYS C 39 84.466 14.280 -14.533 1.00 0.00 H new ATOM 0 HZ2 LYS C 39 83.715 15.530 -13.663 1.00 0.00 H new ATOM 0 HZ3 LYS C 39 85.254 14.981 -13.202 1.00 0.00 H new ATOM 601 N GLU C 40 82.376 10.421 -7.056 1.00 0.00 N ATOM 602 CA GLU C 40 81.454 10.198 -5.944 1.00 0.00 C ATOM 603 C GLU C 40 82.220 9.863 -4.668 1.00 0.00 C ATOM 604 O GLU C 40 82.158 10.596 -3.681 1.00 0.00 O ATOM 605 CB GLU C 40 80.494 9.050 -6.264 1.00 0.00 C ATOM 606 CG GLU C 40 79.137 9.320 -5.612 1.00 0.00 C ATOM 607 CD GLU C 40 79.125 8.741 -4.202 1.00 0.00 C ATOM 608 OE1 GLU C 40 80.155 8.796 -3.552 1.00 0.00 O ATOM 609 OE2 GLU C 40 78.085 8.252 -3.792 1.00 0.00 O ATOM 0 H GLU C 40 82.556 9.599 -7.633 1.00 0.00 H new ATOM 0 HA GLU C 40 80.886 11.116 -5.794 1.00 0.00 H new ATOM 0 HB2 GLU C 40 80.377 8.950 -7.343 1.00 0.00 H new ATOM 0 HB3 GLU C 40 80.903 8.108 -5.899 1.00 0.00 H new ATOM 0 HG2 GLU C 40 78.945 10.392 -5.578 1.00 0.00 H new ATOM 0 HG3 GLU C 40 78.341 8.873 -6.207 1.00 0.00 H new ATOM 616 N LEU C 41 82.936 8.742 -4.697 1.00 0.00 N ATOM 617 CA LEU C 41 83.709 8.309 -3.534 1.00 0.00 C ATOM 618 C LEU C 41 84.304 9.510 -2.805 1.00 0.00 C ATOM 619 O LEU C 41 84.337 9.553 -1.575 1.00 0.00 O ATOM 620 CB LEU C 41 84.843 7.375 -3.960 1.00 0.00 C ATOM 621 CG LEU C 41 85.618 6.913 -2.724 1.00 0.00 C ATOM 622 CD1 LEU C 41 84.636 6.459 -1.641 1.00 0.00 C ATOM 623 CD2 LEU C 41 86.532 5.745 -3.103 1.00 0.00 C ATOM 0 H LEU C 41 82.998 8.122 -5.504 1.00 0.00 H new ATOM 0 HA LEU C 41 83.032 7.778 -2.864 1.00 0.00 H new ATOM 0 HB2 LEU C 41 84.438 6.513 -4.491 1.00 0.00 H new ATOM 0 HB3 LEU C 41 85.512 7.889 -4.650 1.00 0.00 H new ATOM 0 HG LEU C 41 86.219 7.739 -2.345 1.00 0.00 H new ATOM 0 HD11 LEU C 41 85.190 6.130 -0.762 1.00 0.00 H new ATOM 0 HD12 LEU C 41 83.984 7.289 -1.370 1.00 0.00 H new ATOM 0 HD13 LEU C 41 84.033 5.633 -2.019 1.00 0.00 H new ATOM 0 HD21 LEU C 41 87.085 5.415 -2.223 1.00 0.00 H new ATOM 0 HD22 LEU C 41 85.930 4.920 -3.484 1.00 0.00 H new ATOM 0 HD23 LEU C 41 87.234 6.067 -3.873 1.00 0.00 H new ATOM 635 N GLY C 42 84.773 10.485 -3.577 1.00 0.00 N ATOM 636 CA GLY C 42 85.365 11.685 -2.993 1.00 0.00 C ATOM 637 C GLY C 42 84.559 12.154 -1.788 1.00 0.00 C ATOM 638 O GLY C 42 85.095 12.769 -0.866 1.00 0.00 O ATOM 0 H GLY C 42 84.756 10.470 -4.597 1.00 0.00 H new ATOM 0 HA2 GLY C 42 86.392 11.480 -2.692 1.00 0.00 H new ATOM 0 HA3 GLY C 42 85.405 12.477 -3.741 1.00 0.00 H new ATOM 642 N LYS C 43 83.262 11.856 -1.806 1.00 0.00 N ATOM 643 CA LYS C 43 82.381 12.250 -0.710 1.00 0.00 C ATOM 644 C LYS C 43 82.807 11.576 0.591 1.00 0.00 C ATOM 645 O LYS C 43 83.188 12.241 1.554 1.00 0.00 O ATOM 646 CB LYS C 43 80.934 11.862 -1.020 1.00 0.00 C ATOM 647 CG LYS C 43 80.191 13.072 -1.589 1.00 0.00 C ATOM 648 CD LYS C 43 79.981 14.112 -0.485 1.00 0.00 C ATOM 649 CE LYS C 43 79.731 15.484 -1.114 1.00 0.00 C ATOM 650 NZ LYS C 43 79.405 16.469 -0.044 1.00 0.00 N ATOM 0 H LYS C 43 82.801 11.347 -2.560 1.00 0.00 H new ATOM 0 HA LYS C 43 82.452 13.332 -0.597 1.00 0.00 H new ATOM 0 HB2 LYS C 43 80.912 11.040 -1.735 1.00 0.00 H new ATOM 0 HB3 LYS C 43 80.439 11.511 -0.115 1.00 0.00 H new ATOM 0 HG2 LYS C 43 80.761 13.508 -2.410 1.00 0.00 H new ATOM 0 HG3 LYS C 43 79.229 12.762 -1.998 1.00 0.00 H new ATOM 0 HD2 LYS C 43 79.135 13.828 0.140 1.00 0.00 H new ATOM 0 HD3 LYS C 43 80.857 14.152 0.163 1.00 0.00 H new ATOM 0 HE2 LYS C 43 80.613 15.809 -1.666 1.00 0.00 H new ATOM 0 HE3 LYS C 43 78.911 15.424 -1.830 1.00 0.00 H new ATOM 0 HZ1 LYS C 43 79.235 17.402 -0.471 1.00 0.00 H new ATOM 0 HZ2 LYS C 43 78.552 16.160 0.464 1.00 0.00 H new ATOM 0 HZ3 LYS C 43 80.201 16.533 0.623 1.00 0.00 H new ATOM 664 N VAL C 44 82.735 10.248 0.610 1.00 0.00 N ATOM 665 CA VAL C 44 83.113 9.493 1.802 1.00 0.00 C ATOM 666 C VAL C 44 84.499 9.911 2.283 1.00 0.00 C ATOM 667 O VAL C 44 84.669 10.352 3.419 1.00 0.00 O ATOM 668 CB VAL C 44 83.112 7.992 1.514 1.00 0.00 C ATOM 669 CG1 VAL C 44 83.617 7.233 2.744 1.00 0.00 C ATOM 670 CG2 VAL C 44 81.687 7.540 1.190 1.00 0.00 C ATOM 0 H VAL C 44 82.423 9.678 -0.176 1.00 0.00 H new ATOM 0 HA VAL C 44 82.380 9.709 2.580 1.00 0.00 H new ATOM 0 HB VAL C 44 83.765 7.785 0.666 1.00 0.00 H new ATOM 0 HG11 VAL C 44 83.616 6.163 2.537 1.00 0.00 H new ATOM 0 HG12 VAL C 44 84.631 7.556 2.980 1.00 0.00 H new ATOM 0 HG13 VAL C 44 82.964 7.439 3.592 1.00 0.00 H new ATOM 0 HG21 VAL C 44 81.683 6.470 0.984 1.00 0.00 H new ATOM 0 HG22 VAL C 44 81.037 7.749 2.040 1.00 0.00 H new ATOM 0 HG23 VAL C 44 81.324 8.079 0.315 1.00 0.00 H new ATOM 680 N MET C 45 85.492 9.769 1.407 1.00 0.00 N ATOM 681 CA MET C 45 86.857 10.140 1.765 1.00 0.00 C ATOM 682 C MET C 45 86.882 11.547 2.353 1.00 0.00 C ATOM 683 O MET C 45 87.644 11.835 3.277 1.00 0.00 O ATOM 684 CB MET C 45 87.774 10.087 0.541 1.00 0.00 C ATOM 685 CG MET C 45 87.498 8.810 -0.262 1.00 0.00 C ATOM 686 SD MET C 45 87.408 7.382 0.853 1.00 0.00 S ATOM 687 CE MET C 45 89.054 7.548 1.588 1.00 0.00 C ATOM 0 H MET C 45 85.380 9.406 0.460 1.00 0.00 H new ATOM 0 HA MET C 45 87.217 9.427 2.507 1.00 0.00 H new ATOM 0 HB2 MET C 45 87.610 10.964 -0.086 1.00 0.00 H new ATOM 0 HB3 MET C 45 88.817 10.111 0.856 1.00 0.00 H new ATOM 0 HG2 MET C 45 86.562 8.912 -0.812 1.00 0.00 H new ATOM 0 HG3 MET C 45 88.286 8.657 -0.999 1.00 0.00 H new ATOM 0 HE1 MET C 45 89.368 6.588 1.999 1.00 0.00 H new ATOM 0 HE2 MET C 45 89.764 7.865 0.824 1.00 0.00 H new ATOM 0 HE3 MET C 45 89.023 8.291 2.385 1.00 0.00 H new ATOM 697 N ARG C 46 86.031 12.419 1.815 1.00 0.00 N ATOM 698 CA ARG C 46 85.958 13.792 2.307 1.00 0.00 C ATOM 699 C ARG C 46 85.552 13.791 3.775 1.00 0.00 C ATOM 700 O ARG C 46 86.002 14.625 4.561 1.00 0.00 O ATOM 701 CB ARG C 46 84.941 14.607 1.504 1.00 0.00 C ATOM 702 CG ARG C 46 85.644 15.805 0.860 1.00 0.00 C ATOM 703 CD ARG C 46 84.630 16.631 0.067 1.00 0.00 C ATOM 704 NE ARG C 46 84.149 17.762 0.859 1.00 0.00 N ATOM 705 CZ ARG C 46 84.959 18.764 1.188 1.00 0.00 C ATOM 706 NH1 ARG C 46 86.205 18.749 0.803 1.00 0.00 N ATOM 707 NH2 ARG C 46 84.507 19.765 1.893 1.00 0.00 N ATOM 0 H ARG C 46 85.392 12.204 1.050 1.00 0.00 H new ATOM 0 HA ARG C 46 86.941 14.248 2.193 1.00 0.00 H new ATOM 0 HB2 ARG C 46 84.484 13.983 0.736 1.00 0.00 H new ATOM 0 HB3 ARG C 46 84.137 14.950 2.156 1.00 0.00 H new ATOM 0 HG2 ARG C 46 86.109 16.422 1.628 1.00 0.00 H new ATOM 0 HG3 ARG C 46 86.442 15.460 0.202 1.00 0.00 H new ATOM 0 HD2 ARG C 46 85.089 16.994 -0.852 1.00 0.00 H new ATOM 0 HD3 ARG C 46 83.789 16.001 -0.224 1.00 0.00 H new ATOM 0 HE ARG C 46 83.176 17.783 1.164 1.00 0.00 H new ATOM 0 HH11 ARG C 46 86.558 17.969 0.249 1.00 0.00 H new ATOM 0 HH12 ARG C 46 86.826 19.518 1.055 1.00 0.00 H new ATOM 0 HH21 ARG C 46 83.532 19.779 2.192 1.00 0.00 H new ATOM 0 HH22 ARG C 46 85.129 20.533 2.145 1.00 0.00 H new ATOM 721 N MET C 47 84.703 12.834 4.137 1.00 0.00 N ATOM 722 CA MET C 47 84.245 12.716 5.517 1.00 0.00 C ATOM 723 C MET C 47 85.339 12.090 6.375 1.00 0.00 C ATOM 724 O MET C 47 85.520 12.447 7.540 1.00 0.00 O ATOM 725 CB MET C 47 82.990 11.843 5.593 1.00 0.00 C ATOM 726 CG MET C 47 82.060 12.181 4.426 1.00 0.00 C ATOM 727 SD MET C 47 80.399 12.521 5.058 1.00 0.00 S ATOM 728 CE MET C 47 80.252 11.058 6.113 1.00 0.00 C ATOM 0 H MET C 47 84.321 12.135 3.500 1.00 0.00 H new ATOM 0 HA MET C 47 84.010 13.714 5.887 1.00 0.00 H new ATOM 0 HB2 MET C 47 83.265 10.789 5.559 1.00 0.00 H new ATOM 0 HB3 MET C 47 82.477 12.008 6.540 1.00 0.00 H new ATOM 0 HG2 MET C 47 82.439 13.047 3.884 1.00 0.00 H new ATOM 0 HG3 MET C 47 82.029 11.352 3.719 1.00 0.00 H new ATOM 0 HE1 MET C 47 79.199 10.814 6.252 1.00 0.00 H new ATOM 0 HE2 MET C 47 80.760 10.217 5.641 1.00 0.00 H new ATOM 0 HE3 MET C 47 80.709 11.261 7.082 1.00 0.00 H new ATOM 738 N LEU C 48 86.071 11.153 5.777 1.00 0.00 N ATOM 739 CA LEU C 48 87.156 10.475 6.481 1.00 0.00 C ATOM 740 C LEU C 48 88.213 11.482 6.923 1.00 0.00 C ATOM 741 O LEU C 48 88.985 11.230 7.848 1.00 0.00 O ATOM 742 CB LEU C 48 87.813 9.435 5.571 1.00 0.00 C ATOM 743 CG LEU C 48 87.144 8.073 5.771 1.00 0.00 C ATOM 744 CD1 LEU C 48 85.622 8.242 5.779 1.00 0.00 C ATOM 745 CD2 LEU C 48 87.545 7.139 4.627 1.00 0.00 C ATOM 0 H LEU C 48 85.934 10.848 4.813 1.00 0.00 H new ATOM 0 HA LEU C 48 86.734 9.980 7.356 1.00 0.00 H new ATOM 0 HB2 LEU C 48 87.726 9.743 4.529 1.00 0.00 H new ATOM 0 HB3 LEU C 48 88.877 9.364 5.794 1.00 0.00 H new ATOM 0 HG LEU C 48 87.465 7.648 6.722 1.00 0.00 H new ATOM 0 HD11 LEU C 48 85.149 7.270 5.922 1.00 0.00 H new ATOM 0 HD12 LEU C 48 85.334 8.909 6.592 1.00 0.00 H new ATOM 0 HD13 LEU C 48 85.298 8.667 4.829 1.00 0.00 H new ATOM 0 HD21 LEU C 48 87.070 6.168 4.767 1.00 0.00 H new ATOM 0 HD22 LEU C 48 87.223 7.567 3.678 1.00 0.00 H new ATOM 0 HD23 LEU C 48 88.628 7.016 4.621 1.00 0.00 H new ATOM 757 N GLY C 49 88.239 12.627 6.247 1.00 0.00 N ATOM 758 CA GLY C 49 89.206 13.671 6.573 1.00 0.00 C ATOM 759 C GLY C 49 90.186 13.883 5.422 1.00 0.00 C ATOM 760 O GLY C 49 91.235 14.505 5.587 1.00 0.00 O ATOM 0 H GLY C 49 87.609 12.855 5.478 1.00 0.00 H new ATOM 0 HA2 GLY C 49 88.683 14.603 6.787 1.00 0.00 H new ATOM 0 HA3 GLY C 49 89.752 13.397 7.476 1.00 0.00 H new ATOM 764 N GLN C 50 89.828 13.359 4.252 1.00 0.00 N ATOM 765 CA GLN C 50 90.679 13.496 3.072 1.00 0.00 C ATOM 766 C GLN C 50 89.861 13.998 1.888 1.00 0.00 C ATOM 767 O GLN C 50 88.773 13.494 1.613 1.00 0.00 O ATOM 768 CB GLN C 50 91.310 12.151 2.707 1.00 0.00 C ATOM 769 CG GLN C 50 92.788 12.157 3.102 1.00 0.00 C ATOM 770 CD GLN C 50 93.608 11.478 2.012 1.00 0.00 C ATOM 771 OE1 GLN C 50 94.330 12.140 1.266 1.00 0.00 O ATOM 772 NE2 GLN C 50 93.540 10.182 1.873 1.00 0.00 N ATOM 0 H GLN C 50 88.964 12.841 4.096 1.00 0.00 H new ATOM 0 HA GLN C 50 91.466 14.213 3.304 1.00 0.00 H new ATOM 0 HB2 GLN C 50 90.789 11.342 3.219 1.00 0.00 H new ATOM 0 HB3 GLN C 50 91.209 11.968 1.637 1.00 0.00 H new ATOM 0 HG2 GLN C 50 93.133 13.181 3.247 1.00 0.00 H new ATOM 0 HG3 GLN C 50 92.924 11.638 4.051 1.00 0.00 H new ATOM 0 HE21 GLN C 50 92.942 9.633 2.491 1.00 0.00 H new ATOM 0 HE22 GLN C 50 94.085 9.718 1.146 1.00 0.00 H new ATOM 781 N ASN C 51 90.392 15.000 1.192 1.00 0.00 N ATOM 782 CA ASN C 51 89.693 15.566 0.042 1.00 0.00 C ATOM 783 C ASN C 51 90.452 15.281 -1.251 1.00 0.00 C ATOM 784 O ASN C 51 91.244 16.101 -1.715 1.00 0.00 O ATOM 785 CB ASN C 51 89.540 17.079 0.204 1.00 0.00 C ATOM 786 CG ASN C 51 88.905 17.665 -1.052 1.00 0.00 C ATOM 787 OD1 ASN C 51 87.761 17.353 -1.380 1.00 0.00 O ATOM 788 ND2 ASN C 51 89.588 18.504 -1.782 1.00 0.00 N ATOM 0 H ASN C 51 91.292 15.432 1.400 1.00 0.00 H new ATOM 0 HA ASN C 51 88.709 15.100 -0.010 1.00 0.00 H new ATOM 0 HB2 ASN C 51 88.922 17.301 1.074 1.00 0.00 H new ATOM 0 HB3 ASN C 51 90.514 17.537 0.379 1.00 0.00 H new ATOM 0 HD21 ASN C 51 89.173 18.901 -2.625 1.00 0.00 H new ATOM 0 HD22 ASN C 51 90.536 18.762 -1.510 1.00 0.00 H new ATOM 795 N PRO C 52 90.207 14.115 -1.844 1.00 0.00 N ATOM 796 CA PRO C 52 90.860 13.708 -3.100 1.00 0.00 C ATOM 797 C PRO C 52 90.167 14.290 -4.329 1.00 0.00 C ATOM 798 O PRO C 52 89.055 14.812 -4.241 1.00 0.00 O ATOM 799 CB PRO C 52 90.706 12.193 -3.064 1.00 0.00 C ATOM 800 CG PRO C 52 89.509 11.888 -2.168 1.00 0.00 C ATOM 801 CD PRO C 52 89.262 13.125 -1.295 1.00 0.00 C ATOM 0 HA PRO C 52 91.890 14.056 -3.173 1.00 0.00 H new ATOM 0 HB2 PRO C 52 90.548 11.797 -4.067 1.00 0.00 H new ATOM 0 HB3 PRO C 52 91.609 11.723 -2.675 1.00 0.00 H new ATOM 0 HG2 PRO C 52 88.628 11.660 -2.769 1.00 0.00 H new ATOM 0 HG3 PRO C 52 89.707 11.014 -1.548 1.00 0.00 H new ATOM 0 HD2 PRO C 52 88.230 13.470 -1.366 1.00 0.00 H new ATOM 0 HD3 PRO C 52 89.458 12.921 -0.242 1.00 0.00 H new ATOM 809 N THR C 53 90.830 14.190 -5.475 1.00 0.00 N ATOM 810 CA THR C 53 90.260 14.706 -6.716 1.00 0.00 C ATOM 811 C THR C 53 89.710 13.555 -7.551 1.00 0.00 C ATOM 812 O THR C 53 89.774 12.393 -7.148 1.00 0.00 O ATOM 813 CB THR C 53 91.312 15.468 -7.534 1.00 0.00 C ATOM 814 OG1 THR C 53 91.812 14.625 -8.562 1.00 0.00 O ATOM 815 CG2 THR C 53 92.465 15.908 -6.629 1.00 0.00 C ATOM 0 H THR C 53 91.751 13.762 -5.572 1.00 0.00 H new ATOM 0 HA THR C 53 89.456 15.394 -6.457 1.00 0.00 H new ATOM 0 HB THR C 53 90.850 16.351 -7.975 1.00 0.00 H new ATOM 0 HG1 THR C 53 92.279 15.167 -9.232 1.00 0.00 H new ATOM 0 HG21 THR C 53 93.205 16.448 -7.219 1.00 0.00 H new ATOM 0 HG22 THR C 53 92.083 16.560 -5.843 1.00 0.00 H new ATOM 0 HG23 THR C 53 92.929 15.031 -6.179 1.00 0.00 H new ATOM 823 N PRO C 54 89.164 13.870 -8.720 1.00 0.00 N ATOM 824 CA PRO C 54 88.594 12.858 -9.623 1.00 0.00 C ATOM 825 C PRO C 54 89.657 12.158 -10.469 1.00 0.00 C ATOM 826 O PRO C 54 89.375 11.175 -11.154 1.00 0.00 O ATOM 827 CB PRO C 54 87.660 13.692 -10.491 1.00 0.00 C ATOM 828 CG PRO C 54 88.172 15.129 -10.446 1.00 0.00 C ATOM 829 CD PRO C 54 89.081 15.255 -9.218 1.00 0.00 C ATOM 0 HA PRO C 54 88.102 12.044 -9.090 1.00 0.00 H new ATOM 0 HB2 PRO C 54 87.649 13.319 -11.515 1.00 0.00 H new ATOM 0 HB3 PRO C 54 86.636 13.636 -10.120 1.00 0.00 H new ATOM 0 HG2 PRO C 54 88.722 15.369 -11.356 1.00 0.00 H new ATOM 0 HG3 PRO C 54 87.340 15.831 -10.381 1.00 0.00 H new ATOM 0 HD2 PRO C 54 90.063 15.648 -9.482 1.00 0.00 H new ATOM 0 HD3 PRO C 54 88.659 15.927 -8.471 1.00 0.00 H new ATOM 837 N GLU C 55 90.882 12.677 -10.413 1.00 0.00 N ATOM 838 CA GLU C 55 91.980 12.091 -11.179 1.00 0.00 C ATOM 839 C GLU C 55 92.635 10.955 -10.394 1.00 0.00 C ATOM 840 O GLU C 55 93.032 9.938 -10.962 1.00 0.00 O ATOM 841 CB GLU C 55 93.033 13.157 -11.518 1.00 0.00 C ATOM 842 CG GLU C 55 93.967 13.380 -10.323 1.00 0.00 C ATOM 843 CD GLU C 55 94.850 14.596 -10.582 1.00 0.00 C ATOM 844 OE1 GLU C 55 94.310 15.685 -10.689 1.00 0.00 O ATOM 845 OE2 GLU C 55 96.054 14.421 -10.670 1.00 0.00 O ATOM 0 H GLU C 55 91.137 13.491 -9.854 1.00 0.00 H new ATOM 0 HA GLU C 55 91.568 11.692 -12.106 1.00 0.00 H new ATOM 0 HB2 GLU C 55 93.611 12.843 -12.387 1.00 0.00 H new ATOM 0 HB3 GLU C 55 92.541 14.093 -11.783 1.00 0.00 H new ATOM 0 HG2 GLU C 55 93.383 13.529 -9.415 1.00 0.00 H new ATOM 0 HG3 GLU C 55 94.585 12.497 -10.162 1.00 0.00 H new ATOM 852 N GLU C 56 92.745 11.144 -9.081 1.00 0.00 N ATOM 853 CA GLU C 56 93.356 10.132 -8.222 1.00 0.00 C ATOM 854 C GLU C 56 92.348 9.037 -7.886 1.00 0.00 C ATOM 855 O GLU C 56 92.632 7.848 -8.028 1.00 0.00 O ATOM 856 CB GLU C 56 93.853 10.765 -6.920 1.00 0.00 C ATOM 857 CG GLU C 56 95.220 11.411 -7.153 1.00 0.00 C ATOM 858 CD GLU C 56 95.031 12.842 -7.646 1.00 0.00 C ATOM 859 OE1 GLU C 56 93.965 13.389 -7.418 1.00 0.00 O ATOM 860 OE2 GLU C 56 95.954 13.368 -8.244 1.00 0.00 O ATOM 0 H GLU C 56 92.423 11.979 -8.592 1.00 0.00 H new ATOM 0 HA GLU C 56 94.198 9.698 -8.761 1.00 0.00 H new ATOM 0 HB2 GLU C 56 93.140 11.513 -6.572 1.00 0.00 H new ATOM 0 HB3 GLU C 56 93.926 10.007 -6.140 1.00 0.00 H new ATOM 0 HG2 GLU C 56 95.798 11.407 -6.229 1.00 0.00 H new ATOM 0 HG3 GLU C 56 95.786 10.835 -7.885 1.00 0.00 H new ATOM 867 N LEU C 57 91.168 9.453 -7.434 1.00 0.00 N ATOM 868 CA LEU C 57 90.123 8.498 -7.076 1.00 0.00 C ATOM 869 C LEU C 57 90.026 7.397 -8.126 1.00 0.00 C ATOM 870 O LEU C 57 89.978 6.211 -7.802 1.00 0.00 O ATOM 871 CB LEU C 57 88.769 9.201 -6.960 1.00 0.00 C ATOM 872 CG LEU C 57 88.616 9.781 -5.553 1.00 0.00 C ATOM 873 CD1 LEU C 57 87.452 10.773 -5.531 1.00 0.00 C ATOM 874 CD2 LEU C 57 88.339 8.646 -4.565 1.00 0.00 C ATOM 0 H LEU C 57 90.913 10.433 -7.308 1.00 0.00 H new ATOM 0 HA LEU C 57 90.384 8.059 -6.113 1.00 0.00 H new ATOM 0 HB2 LEU C 57 88.695 9.995 -7.703 1.00 0.00 H new ATOM 0 HB3 LEU C 57 87.963 8.497 -7.165 1.00 0.00 H new ATOM 0 HG LEU C 57 89.534 10.296 -5.270 1.00 0.00 H new ATOM 0 HD11 LEU C 57 87.344 11.185 -4.528 1.00 0.00 H new ATOM 0 HD12 LEU C 57 87.649 11.581 -6.236 1.00 0.00 H new ATOM 0 HD13 LEU C 57 86.532 10.261 -5.813 1.00 0.00 H new ATOM 0 HD21 LEU C 57 88.229 9.056 -3.561 1.00 0.00 H new ATOM 0 HD22 LEU C 57 87.421 8.132 -4.849 1.00 0.00 H new ATOM 0 HD23 LEU C 57 89.169 7.940 -4.580 1.00 0.00 H new ATOM 886 N GLN C 58 89.997 7.807 -9.390 1.00 0.00 N ATOM 887 CA GLN C 58 89.906 6.853 -10.491 1.00 0.00 C ATOM 888 C GLN C 58 90.836 5.666 -10.248 1.00 0.00 C ATOM 889 O GLN C 58 90.423 4.509 -10.328 1.00 0.00 O ATOM 890 CB GLN C 58 90.285 7.530 -11.812 1.00 0.00 C ATOM 891 CG GLN C 58 90.477 6.472 -12.901 1.00 0.00 C ATOM 892 CD GLN C 58 89.149 5.775 -13.178 1.00 0.00 C ATOM 893 OE1 GLN C 58 88.977 4.600 -12.855 1.00 0.00 O ATOM 894 NE2 GLN C 58 88.189 6.436 -13.765 1.00 0.00 N ATOM 0 H GLN C 58 90.035 8.785 -9.677 1.00 0.00 H new ATOM 0 HA GLN C 58 88.878 6.497 -10.548 1.00 0.00 H new ATOM 0 HB2 GLN C 58 89.506 8.232 -12.108 1.00 0.00 H new ATOM 0 HB3 GLN C 58 91.202 8.106 -11.686 1.00 0.00 H new ATOM 0 HG2 GLN C 58 90.852 6.938 -13.812 1.00 0.00 H new ATOM 0 HG3 GLN C 58 91.223 5.743 -12.586 1.00 0.00 H new ATOM 0 HE21 GLN C 58 88.330 7.410 -14.033 1.00 0.00 H new ATOM 0 HE22 GLN C 58 87.297 5.979 -13.956 1.00 0.00 H new ATOM 903 N GLU C 59 92.098 5.967 -9.956 1.00 0.00 N ATOM 904 CA GLU C 59 93.084 4.918 -9.707 1.00 0.00 C ATOM 905 C GLU C 59 92.577 3.948 -8.645 1.00 0.00 C ATOM 906 O GLU C 59 92.872 2.753 -8.684 1.00 0.00 O ATOM 907 CB GLU C 59 94.406 5.526 -9.237 1.00 0.00 C ATOM 908 CG GLU C 59 95.563 4.888 -10.007 1.00 0.00 C ATOM 909 CD GLU C 59 96.888 5.428 -9.479 1.00 0.00 C ATOM 910 OE1 GLU C 59 97.271 5.039 -8.388 1.00 0.00 O ATOM 911 OE2 GLU C 59 97.500 6.223 -10.173 1.00 0.00 O ATOM 0 H GLU C 59 92.460 6.918 -9.886 1.00 0.00 H new ATOM 0 HA GLU C 59 93.244 4.380 -10.641 1.00 0.00 H new ATOM 0 HB2 GLU C 59 94.400 6.604 -9.397 1.00 0.00 H new ATOM 0 HB3 GLU C 59 94.534 5.363 -8.167 1.00 0.00 H new ATOM 0 HG2 GLU C 59 95.531 3.804 -9.899 1.00 0.00 H new ATOM 0 HG3 GLU C 59 95.468 5.105 -11.071 1.00 0.00 H new ATOM 918 N MET C 60 91.810 4.475 -7.695 1.00 0.00 N ATOM 919 CA MET C 60 91.264 3.644 -6.626 1.00 0.00 C ATOM 920 C MET C 60 90.178 2.729 -7.179 1.00 0.00 C ATOM 921 O MET C 60 89.929 1.644 -6.654 1.00 0.00 O ATOM 922 CB MET C 60 90.665 4.513 -5.517 1.00 0.00 C ATOM 923 CG MET C 60 91.591 5.699 -5.234 1.00 0.00 C ATOM 924 SD MET C 60 92.442 5.442 -3.658 1.00 0.00 S ATOM 925 CE MET C 60 91.030 5.780 -2.579 1.00 0.00 C ATOM 0 H MET C 60 91.555 5.461 -7.643 1.00 0.00 H new ATOM 0 HA MET C 60 92.077 3.047 -6.213 1.00 0.00 H new ATOM 0 HB2 MET C 60 89.680 4.872 -5.815 1.00 0.00 H new ATOM 0 HB3 MET C 60 90.529 3.921 -4.612 1.00 0.00 H new ATOM 0 HG2 MET C 60 92.319 5.805 -6.039 1.00 0.00 H new ATOM 0 HG3 MET C 60 91.015 6.624 -5.201 1.00 0.00 H new ATOM 0 HE1 MET C 60 91.288 6.577 -1.881 1.00 0.00 H new ATOM 0 HE2 MET C 60 90.176 6.088 -3.183 1.00 0.00 H new ATOM 0 HE3 MET C 60 90.774 4.879 -2.022 1.00 0.00 H new ATOM 935 N ILE C 61 89.536 3.184 -8.252 1.00 0.00 N ATOM 936 CA ILE C 61 88.477 2.404 -8.883 1.00 0.00 C ATOM 937 C ILE C 61 89.079 1.269 -9.704 1.00 0.00 C ATOM 938 O ILE C 61 88.599 0.137 -9.670 1.00 0.00 O ATOM 939 CB ILE C 61 87.631 3.293 -9.797 1.00 0.00 C ATOM 940 CG1 ILE C 61 87.347 4.623 -9.095 1.00 0.00 C ATOM 941 CG2 ILE C 61 86.310 2.590 -10.113 1.00 0.00 C ATOM 942 CD1 ILE C 61 86.622 4.362 -7.773 1.00 0.00 C ATOM 0 H ILE C 61 89.729 4.080 -8.699 1.00 0.00 H new ATOM 0 HA ILE C 61 87.844 1.990 -8.099 1.00 0.00 H new ATOM 0 HB ILE C 61 88.173 3.480 -10.724 1.00 0.00 H new ATOM 0 HG12 ILE C 61 88.280 5.155 -8.910 1.00 0.00 H new ATOM 0 HG13 ILE C 61 86.738 5.261 -9.735 1.00 0.00 H new ATOM 0 HG21 ILE C 61 85.707 3.223 -10.764 1.00 0.00 H new ATOM 0 HG22 ILE C 61 86.512 1.643 -10.614 1.00 0.00 H new ATOM 0 HG23 ILE C 61 85.767 2.402 -9.187 1.00 0.00 H new ATOM 0 HD11 ILE C 61 86.421 5.310 -7.275 1.00 0.00 H new ATOM 0 HD12 ILE C 61 85.681 3.848 -7.969 1.00 0.00 H new ATOM 0 HD13 ILE C 61 87.247 3.741 -7.132 1.00 0.00 H new ATOM 954 N ASP C 62 90.140 1.587 -10.441 1.00 0.00 N ATOM 955 CA ASP C 62 90.809 0.587 -11.269 1.00 0.00 C ATOM 956 C ASP C 62 91.100 -0.668 -10.451 1.00 0.00 C ATOM 957 O ASP C 62 91.252 -1.761 -10.996 1.00 0.00 O ATOM 958 CB ASP C 62 92.126 1.140 -11.818 1.00 0.00 C ATOM 959 CG ASP C 62 92.055 1.209 -13.339 1.00 0.00 C ATOM 960 OD1 ASP C 62 91.864 0.171 -13.951 1.00 0.00 O ATOM 961 OD2 ASP C 62 92.193 2.299 -13.870 1.00 0.00 O ATOM 0 H ASP C 62 90.552 2.519 -10.482 1.00 0.00 H new ATOM 0 HA ASP C 62 90.148 0.338 -12.099 1.00 0.00 H new ATOM 0 HB2 ASP C 62 92.316 2.132 -11.407 1.00 0.00 H new ATOM 0 HB3 ASP C 62 92.956 0.504 -11.511 1.00 0.00 H new ATOM 966 N GLU C 63 91.171 -0.497 -9.134 1.00 0.00 N ATOM 967 CA GLU C 63 91.440 -1.624 -8.245 1.00 0.00 C ATOM 968 C GLU C 63 90.261 -2.587 -8.256 1.00 0.00 C ATOM 969 O GLU C 63 90.418 -3.794 -8.072 1.00 0.00 O ATOM 970 CB GLU C 63 91.669 -1.145 -6.809 1.00 0.00 C ATOM 971 CG GLU C 63 92.479 0.152 -6.817 1.00 0.00 C ATOM 972 CD GLU C 63 93.724 -0.027 -7.682 1.00 0.00 C ATOM 973 OE1 GLU C 63 93.569 -0.295 -8.862 1.00 0.00 O ATOM 974 OE2 GLU C 63 94.814 0.106 -7.151 1.00 0.00 O ATOM 0 H GLU C 63 91.048 0.399 -8.663 1.00 0.00 H new ATOM 0 HA GLU C 63 92.339 -2.126 -8.603 1.00 0.00 H new ATOM 0 HB2 GLU C 63 90.712 -0.983 -6.313 1.00 0.00 H new ATOM 0 HB3 GLU C 63 92.197 -1.911 -6.241 1.00 0.00 H new ATOM 0 HG2 GLU C 63 91.871 0.970 -7.202 1.00 0.00 H new ATOM 0 HG3 GLU C 63 92.766 0.420 -5.800 1.00 0.00 H new ATOM 981 N VAL C 64 89.075 -2.031 -8.474 1.00 0.00 N ATOM 982 CA VAL C 64 87.859 -2.834 -8.510 1.00 0.00 C ATOM 983 C VAL C 64 87.297 -2.873 -9.929 1.00 0.00 C ATOM 984 O VAL C 64 86.812 -3.905 -10.392 1.00 0.00 O ATOM 985 CB VAL C 64 86.813 -2.243 -7.566 1.00 0.00 C ATOM 986 CG1 VAL C 64 87.142 -2.643 -6.126 1.00 0.00 C ATOM 987 CG2 VAL C 64 86.830 -0.718 -7.685 1.00 0.00 C ATOM 0 H VAL C 64 88.930 -1.033 -8.628 1.00 0.00 H new ATOM 0 HA VAL C 64 88.102 -3.848 -8.191 1.00 0.00 H new ATOM 0 HB VAL C 64 85.826 -2.621 -7.832 1.00 0.00 H new ATOM 0 HG11 VAL C 64 86.396 -2.222 -5.452 1.00 0.00 H new ATOM 0 HG12 VAL C 64 87.136 -3.730 -6.040 1.00 0.00 H new ATOM 0 HG13 VAL C 64 88.128 -2.263 -5.859 1.00 0.00 H new ATOM 0 HG21 VAL C 64 86.085 -0.292 -7.013 1.00 0.00 H new ATOM 0 HG22 VAL C 64 87.818 -0.343 -7.416 1.00 0.00 H new ATOM 0 HG23 VAL C 64 86.600 -0.431 -8.711 1.00 0.00 H new ATOM 997 N ASP C 65 87.377 -1.735 -10.614 1.00 0.00 N ATOM 998 CA ASP C 65 86.881 -1.642 -11.985 1.00 0.00 C ATOM 999 C ASP C 65 87.701 -2.543 -12.903 1.00 0.00 C ATOM 1000 O ASP C 65 88.478 -2.068 -13.731 1.00 0.00 O ATOM 1001 CB ASP C 65 86.971 -0.201 -12.491 1.00 0.00 C ATOM 1002 CG ASP C 65 85.569 0.338 -12.752 1.00 0.00 C ATOM 1003 OD1 ASP C 65 84.624 -0.269 -12.276 1.00 0.00 O ATOM 1004 OD2 ASP C 65 85.460 1.350 -13.425 1.00 0.00 O ATOM 0 H ASP C 65 87.777 -0.871 -10.247 1.00 0.00 H new ATOM 0 HA ASP C 65 85.839 -1.962 -11.992 1.00 0.00 H new ATOM 0 HB2 ASP C 65 87.480 0.422 -11.756 1.00 0.00 H new ATOM 0 HB3 ASP C 65 87.563 -0.162 -13.406 1.00 0.00 H new ATOM 1009 N GLU C 66 87.522 -3.851 -12.741 1.00 0.00 N ATOM 1010 CA GLU C 66 88.253 -4.818 -13.555 1.00 0.00 C ATOM 1011 C GLU C 66 87.532 -5.066 -14.877 1.00 0.00 C ATOM 1012 O GLU C 66 88.099 -5.627 -15.815 1.00 0.00 O ATOM 1013 CB GLU C 66 88.391 -6.146 -12.809 1.00 0.00 C ATOM 1014 CG GLU C 66 89.664 -6.124 -11.961 1.00 0.00 C ATOM 1015 CD GLU C 66 90.255 -7.528 -11.895 1.00 0.00 C ATOM 1016 OE1 GLU C 66 89.585 -8.408 -11.380 1.00 0.00 O ATOM 1017 OE2 GLU C 66 91.369 -7.702 -12.360 1.00 0.00 O ATOM 0 H GLU C 66 86.884 -4.263 -12.061 1.00 0.00 H new ATOM 0 HA GLU C 66 89.242 -4.405 -13.755 1.00 0.00 H new ATOM 0 HB2 GLU C 66 87.521 -6.311 -12.174 1.00 0.00 H new ATOM 0 HB3 GLU C 66 88.428 -6.972 -13.519 1.00 0.00 H new ATOM 0 HG2 GLU C 66 90.389 -5.433 -12.391 1.00 0.00 H new ATOM 0 HG3 GLU C 66 89.439 -5.765 -10.957 1.00 0.00 H new ATOM 1024 N ASP C 67 86.274 -4.641 -14.939 1.00 0.00 N ATOM 1025 CA ASP C 67 85.479 -4.821 -16.153 1.00 0.00 C ATOM 1026 C ASP C 67 85.334 -3.499 -16.906 1.00 0.00 C ATOM 1027 O ASP C 67 84.653 -3.426 -17.929 1.00 0.00 O ATOM 1028 CB ASP C 67 84.083 -5.355 -15.814 1.00 0.00 C ATOM 1029 CG ASP C 67 83.668 -4.872 -14.427 1.00 0.00 C ATOM 1030 OD1 ASP C 67 83.855 -3.699 -14.149 1.00 0.00 O ATOM 1031 OD2 ASP C 67 83.170 -5.683 -13.664 1.00 0.00 O ATOM 0 H ASP C 67 85.786 -4.175 -14.174 1.00 0.00 H new ATOM 0 HA ASP C 67 86.000 -5.542 -16.783 1.00 0.00 H new ATOM 0 HB2 ASP C 67 83.363 -5.015 -16.558 1.00 0.00 H new ATOM 0 HB3 ASP C 67 84.083 -6.445 -15.845 1.00 0.00 H new ATOM 1036 N GLY C 68 85.981 -2.456 -16.392 1.00 0.00 N ATOM 1037 CA GLY C 68 85.916 -1.143 -17.028 1.00 0.00 C ATOM 1038 C GLY C 68 84.484 -0.618 -17.044 1.00 0.00 C ATOM 1039 O GLY C 68 84.032 -0.034 -18.029 1.00 0.00 O ATOM 0 H GLY C 68 86.550 -2.493 -15.546 1.00 0.00 H new ATOM 0 HA2 GLY C 68 86.559 -0.443 -16.494 1.00 0.00 H new ATOM 0 HA3 GLY C 68 86.295 -1.209 -18.048 1.00 0.00 H new ATOM 1043 N SER C 69 83.775 -0.834 -15.940 1.00 0.00 N ATOM 1044 CA SER C 69 82.392 -0.379 -15.834 1.00 0.00 C ATOM 1045 C SER C 69 82.344 1.104 -15.476 1.00 0.00 C ATOM 1046 O SER C 69 81.334 1.775 -15.687 1.00 0.00 O ATOM 1047 CB SER C 69 81.648 -1.174 -14.761 1.00 0.00 C ATOM 1048 OG SER C 69 82.553 -1.521 -13.721 1.00 0.00 O ATOM 0 H SER C 69 84.130 -1.316 -15.114 1.00 0.00 H new ATOM 0 HA SER C 69 81.912 -0.535 -16.800 1.00 0.00 H new ATOM 0 HB2 SER C 69 80.824 -0.583 -14.360 1.00 0.00 H new ATOM 0 HB3 SER C 69 81.213 -2.074 -15.195 1.00 0.00 H new ATOM 0 HG SER C 69 82.878 -2.435 -13.862 1.00 0.00 H new ATOM 1054 N GLY C 70 83.449 1.606 -14.931 1.00 0.00 N ATOM 1055 CA GLY C 70 83.526 3.012 -14.544 1.00 0.00 C ATOM 1056 C GLY C 70 82.787 3.255 -13.232 1.00 0.00 C ATOM 1057 O GLY C 70 82.535 4.396 -12.845 1.00 0.00 O ATOM 0 H GLY C 70 84.295 1.067 -14.749 1.00 0.00 H new ATOM 0 HA2 GLY C 70 84.570 3.308 -14.439 1.00 0.00 H new ATOM 0 HA3 GLY C 70 83.096 3.634 -15.329 1.00 0.00 H new ATOM 1061 N THR C 71 82.445 2.165 -12.550 1.00 0.00 N ATOM 1062 CA THR C 71 81.735 2.265 -11.279 1.00 0.00 C ATOM 1063 C THR C 71 82.055 1.061 -10.399 1.00 0.00 C ATOM 1064 O THR C 71 82.609 0.064 -10.863 1.00 0.00 O ATOM 1065 CB THR C 71 80.224 2.328 -11.510 1.00 0.00 C ATOM 1066 OG1 THR C 71 79.885 1.518 -12.627 1.00 0.00 O ATOM 1067 CG2 THR C 71 79.807 3.774 -11.781 1.00 0.00 C ATOM 0 H THR C 71 82.646 1.212 -12.852 1.00 0.00 H new ATOM 0 HA THR C 71 82.061 3.178 -10.781 1.00 0.00 H new ATOM 0 HB THR C 71 79.704 1.963 -10.624 1.00 0.00 H new ATOM 0 HG1 THR C 71 78.917 1.555 -12.776 1.00 0.00 H new ATOM 0 HG21 THR C 71 78.730 3.817 -11.945 1.00 0.00 H new ATOM 0 HG22 THR C 71 80.069 4.395 -10.924 1.00 0.00 H new ATOM 0 HG23 THR C 71 80.324 4.142 -12.667 1.00 0.00 H new ATOM 1075 N VAL C 72 81.704 1.167 -9.121 1.00 0.00 N ATOM 1076 CA VAL C 72 81.961 0.081 -8.180 1.00 0.00 C ATOM 1077 C VAL C 72 80.696 -0.256 -7.395 1.00 0.00 C ATOM 1078 O VAL C 72 80.363 0.403 -6.411 1.00 0.00 O ATOM 1079 CB VAL C 72 83.068 0.478 -7.204 1.00 0.00 C ATOM 1080 CG1 VAL C 72 83.453 -0.729 -6.345 1.00 0.00 C ATOM 1081 CG2 VAL C 72 84.292 0.956 -7.991 1.00 0.00 C ATOM 0 H VAL C 72 81.246 1.984 -8.716 1.00 0.00 H new ATOM 0 HA VAL C 72 82.275 -0.795 -8.748 1.00 0.00 H new ATOM 0 HB VAL C 72 82.712 1.281 -6.559 1.00 0.00 H new ATOM 0 HG11 VAL C 72 84.243 -0.444 -5.650 1.00 0.00 H new ATOM 0 HG12 VAL C 72 82.582 -1.070 -5.785 1.00 0.00 H new ATOM 0 HG13 VAL C 72 83.809 -1.534 -6.988 1.00 0.00 H new ATOM 0 HG21 VAL C 72 85.083 1.240 -7.297 1.00 0.00 H new ATOM 0 HG22 VAL C 72 84.647 0.152 -8.636 1.00 0.00 H new ATOM 0 HG23 VAL C 72 84.019 1.817 -8.601 1.00 0.00 H new ATOM 1091 N ASP C 73 79.995 -1.291 -7.849 1.00 0.00 N ATOM 1092 CA ASP C 73 78.759 -1.718 -7.195 1.00 0.00 C ATOM 1093 C ASP C 73 79.005 -2.046 -5.724 1.00 0.00 C ATOM 1094 O ASP C 73 80.079 -1.782 -5.183 1.00 0.00 O ATOM 1095 CB ASP C 73 78.192 -2.955 -7.895 1.00 0.00 C ATOM 1096 CG ASP C 73 79.269 -4.029 -7.981 1.00 0.00 C ATOM 1097 OD1 ASP C 73 79.589 -4.601 -6.953 1.00 0.00 O ATOM 1098 OD2 ASP C 73 79.759 -4.264 -9.074 1.00 0.00 O ATOM 0 H ASP C 73 80.258 -1.848 -8.662 1.00 0.00 H new ATOM 0 HA ASP C 73 78.045 -0.897 -7.261 1.00 0.00 H new ATOM 0 HB2 ASP C 73 77.329 -3.333 -7.346 1.00 0.00 H new ATOM 0 HB3 ASP C 73 77.844 -2.693 -8.894 1.00 0.00 H new ATOM 1103 N PHE C 74 77.988 -2.622 -5.084 1.00 0.00 N ATOM 1104 CA PHE C 74 78.084 -2.985 -3.670 1.00 0.00 C ATOM 1105 C PHE C 74 78.794 -4.331 -3.508 1.00 0.00 C ATOM 1106 O PHE C 74 79.124 -4.740 -2.395 1.00 0.00 O ATOM 1107 CB PHE C 74 76.675 -3.060 -3.052 1.00 0.00 C ATOM 1108 CG PHE C 74 76.669 -3.966 -1.837 1.00 0.00 C ATOM 1109 CD1 PHE C 74 76.631 -5.356 -2.005 1.00 0.00 C ATOM 1110 CD2 PHE C 74 76.701 -3.417 -0.549 1.00 0.00 C ATOM 1111 CE1 PHE C 74 76.625 -6.197 -0.885 1.00 0.00 C ATOM 1112 CE2 PHE C 74 76.696 -4.259 0.570 1.00 0.00 C ATOM 1113 CZ PHE C 74 76.657 -5.649 0.402 1.00 0.00 C ATOM 0 H PHE C 74 77.093 -2.846 -5.519 1.00 0.00 H new ATOM 0 HA PHE C 74 78.664 -2.221 -3.154 1.00 0.00 H new ATOM 0 HB2 PHE C 74 76.344 -2.061 -2.768 1.00 0.00 H new ATOM 0 HB3 PHE C 74 75.967 -3.432 -3.793 1.00 0.00 H new ATOM 0 HD1 PHE C 74 76.606 -5.779 -2.998 1.00 0.00 H new ATOM 0 HD2 PHE C 74 76.730 -2.345 -0.419 1.00 0.00 H new ATOM 0 HE1 PHE C 74 76.596 -7.269 -1.015 1.00 0.00 H new ATOM 0 HE2 PHE C 74 76.722 -3.836 1.563 1.00 0.00 H new ATOM 0 HZ PHE C 74 76.652 -6.298 1.266 1.00 0.00 H new ATOM 1123 N ASP C 75 79.019 -5.018 -4.624 1.00 0.00 N ATOM 1124 CA ASP C 75 79.683 -6.319 -4.576 1.00 0.00 C ATOM 1125 C ASP C 75 81.201 -6.153 -4.546 1.00 0.00 C ATOM 1126 O ASP C 75 81.839 -6.327 -3.507 1.00 0.00 O ATOM 1127 CB ASP C 75 79.298 -7.167 -5.791 1.00 0.00 C ATOM 1128 CG ASP C 75 77.784 -7.355 -5.823 1.00 0.00 C ATOM 1129 OD1 ASP C 75 77.223 -7.671 -4.787 1.00 0.00 O ATOM 1130 OD2 ASP C 75 77.208 -7.182 -6.885 1.00 0.00 O ATOM 0 H ASP C 75 78.757 -4.704 -5.558 1.00 0.00 H new ATOM 0 HA ASP C 75 79.358 -6.821 -3.665 1.00 0.00 H new ATOM 0 HB2 ASP C 75 79.634 -6.682 -6.707 1.00 0.00 H new ATOM 0 HB3 ASP C 75 79.794 -8.136 -5.743 1.00 0.00 H new ATOM 1135 N GLU C 76 81.772 -5.828 -5.702 1.00 0.00 N ATOM 1136 CA GLU C 76 83.220 -5.655 -5.809 1.00 0.00 C ATOM 1137 C GLU C 76 83.779 -4.892 -4.608 1.00 0.00 C ATOM 1138 O GLU C 76 84.880 -5.178 -4.138 1.00 0.00 O ATOM 1139 CB GLU C 76 83.585 -4.901 -7.093 1.00 0.00 C ATOM 1140 CG GLU C 76 82.620 -3.732 -7.309 1.00 0.00 C ATOM 1141 CD GLU C 76 82.822 -3.160 -8.709 1.00 0.00 C ATOM 1142 OE1 GLU C 76 83.702 -2.329 -8.867 1.00 0.00 O ATOM 1143 OE2 GLU C 76 82.095 -3.561 -9.603 1.00 0.00 O ATOM 0 H GLU C 76 81.261 -5.680 -6.572 1.00 0.00 H new ATOM 0 HA GLU C 76 83.661 -6.651 -5.833 1.00 0.00 H new ATOM 0 HB2 GLU C 76 84.608 -4.531 -7.028 1.00 0.00 H new ATOM 0 HB3 GLU C 76 83.544 -5.579 -7.946 1.00 0.00 H new ATOM 0 HG2 GLU C 76 81.591 -4.069 -7.187 1.00 0.00 H new ATOM 0 HG3 GLU C 76 82.794 -2.959 -6.560 1.00 0.00 H new ATOM 1150 N PHE C 77 83.020 -3.915 -4.119 1.00 0.00 N ATOM 1151 CA PHE C 77 83.473 -3.122 -2.977 1.00 0.00 C ATOM 1152 C PHE C 77 83.957 -4.027 -1.844 1.00 0.00 C ATOM 1153 O PHE C 77 85.159 -4.180 -1.628 1.00 0.00 O ATOM 1154 CB PHE C 77 82.353 -2.218 -2.456 1.00 0.00 C ATOM 1155 CG PHE C 77 82.923 -1.265 -1.431 1.00 0.00 C ATOM 1156 CD1 PHE C 77 83.822 -0.267 -1.829 1.00 0.00 C ATOM 1157 CD2 PHE C 77 82.558 -1.381 -0.085 1.00 0.00 C ATOM 1158 CE1 PHE C 77 84.354 0.615 -0.881 1.00 0.00 C ATOM 1159 CE2 PHE C 77 83.090 -0.498 0.863 1.00 0.00 C ATOM 1160 CZ PHE C 77 83.988 0.500 0.465 1.00 0.00 C ATOM 0 H PHE C 77 82.105 -3.655 -4.487 1.00 0.00 H new ATOM 0 HA PHE C 77 84.301 -2.501 -3.320 1.00 0.00 H new ATOM 0 HB2 PHE C 77 81.906 -1.661 -3.279 1.00 0.00 H new ATOM 0 HB3 PHE C 77 81.561 -2.820 -2.010 1.00 0.00 H new ATOM 0 HD1 PHE C 77 84.105 -0.178 -2.868 1.00 0.00 H new ATOM 0 HD2 PHE C 77 81.866 -2.151 0.223 1.00 0.00 H new ATOM 0 HE1 PHE C 77 85.047 1.384 -1.188 1.00 0.00 H new ATOM 0 HE2 PHE C 77 82.807 -0.587 1.902 1.00 0.00 H new ATOM 0 HZ PHE C 77 84.398 1.181 1.196 1.00 0.00 H new ATOM 1170 N LEU C 78 83.011 -4.621 -1.118 1.00 0.00 N ATOM 1171 CA LEU C 78 83.360 -5.503 -0.006 1.00 0.00 C ATOM 1172 C LEU C 78 84.537 -6.398 -0.381 1.00 0.00 C ATOM 1173 O LEU C 78 85.603 -6.338 0.231 1.00 0.00 O ATOM 1174 CB LEU C 78 82.170 -6.387 0.375 1.00 0.00 C ATOM 1175 CG LEU C 78 81.206 -5.601 1.265 1.00 0.00 C ATOM 1176 CD1 LEU C 78 79.780 -6.105 1.038 1.00 0.00 C ATOM 1177 CD2 LEU C 78 81.588 -5.801 2.734 1.00 0.00 C ATOM 0 H LEU C 78 82.010 -4.510 -1.277 1.00 0.00 H new ATOM 0 HA LEU C 78 83.634 -4.875 0.842 1.00 0.00 H new ATOM 0 HB2 LEU C 78 81.655 -6.727 -0.524 1.00 0.00 H new ATOM 0 HB3 LEU C 78 82.519 -7.277 0.898 1.00 0.00 H new ATOM 0 HG LEU C 78 81.263 -4.541 1.016 1.00 0.00 H new ATOM 0 HD11 LEU C 78 79.091 -5.546 1.672 1.00 0.00 H new ATOM 0 HD12 LEU C 78 79.507 -5.964 -0.008 1.00 0.00 H new ATOM 0 HD13 LEU C 78 79.724 -7.164 1.288 1.00 0.00 H new ATOM 0 HD21 LEU C 78 80.901 -5.241 3.368 1.00 0.00 H new ATOM 0 HD22 LEU C 78 81.531 -6.860 2.984 1.00 0.00 H new ATOM 0 HD23 LEU C 78 82.605 -5.444 2.897 1.00 0.00 H new ATOM 1189 N VAL C 79 84.326 -7.233 -1.394 1.00 0.00 N ATOM 1190 CA VAL C 79 85.371 -8.147 -1.848 1.00 0.00 C ATOM 1191 C VAL C 79 86.720 -7.436 -1.909 1.00 0.00 C ATOM 1192 O VAL C 79 87.647 -7.771 -1.171 1.00 0.00 O ATOM 1193 CB VAL C 79 85.035 -8.696 -3.233 1.00 0.00 C ATOM 1194 CG1 VAL C 79 86.197 -9.551 -3.738 1.00 0.00 C ATOM 1195 CG2 VAL C 79 83.772 -9.556 -3.145 1.00 0.00 C ATOM 0 H VAL C 79 83.450 -7.297 -1.912 1.00 0.00 H new ATOM 0 HA VAL C 79 85.429 -8.969 -1.134 1.00 0.00 H new ATOM 0 HB VAL C 79 84.867 -7.868 -3.922 1.00 0.00 H new ATOM 0 HG11 VAL C 79 85.958 -9.943 -4.726 1.00 0.00 H new ATOM 0 HG12 VAL C 79 87.098 -8.941 -3.798 1.00 0.00 H new ATOM 0 HG13 VAL C 79 86.365 -10.380 -3.050 1.00 0.00 H new ATOM 0 HG21 VAL C 79 83.530 -9.949 -4.132 1.00 0.00 H new ATOM 0 HG22 VAL C 79 83.943 -10.384 -2.457 1.00 0.00 H new ATOM 0 HG23 VAL C 79 82.943 -8.948 -2.783 1.00 0.00 H new ATOM 1205 N MET C 80 86.820 -6.453 -2.802 1.00 0.00 N ATOM 1206 CA MET C 80 88.062 -5.699 -2.959 1.00 0.00 C ATOM 1207 C MET C 80 88.732 -5.488 -1.605 1.00 0.00 C ATOM 1208 O MET C 80 89.857 -5.933 -1.376 1.00 0.00 O ATOM 1209 CB MET C 80 87.784 -4.336 -3.597 1.00 0.00 C ATOM 1210 CG MET C 80 89.058 -3.489 -3.578 1.00 0.00 C ATOM 1211 SD MET C 80 88.843 -2.102 -2.434 1.00 0.00 S ATOM 1212 CE MET C 80 89.278 -0.778 -3.589 1.00 0.00 C ATOM 0 H MET C 80 86.064 -6.162 -3.422 1.00 0.00 H new ATOM 0 HA MET C 80 88.725 -6.273 -3.606 1.00 0.00 H new ATOM 0 HB2 MET C 80 87.438 -4.467 -4.622 1.00 0.00 H new ATOM 0 HB3 MET C 80 86.988 -3.825 -3.055 1.00 0.00 H new ATOM 0 HG2 MET C 80 89.908 -4.098 -3.272 1.00 0.00 H new ATOM 0 HG3 MET C 80 89.276 -3.118 -4.579 1.00 0.00 H new ATOM 0 HE1 MET C 80 89.419 0.153 -3.039 1.00 0.00 H new ATOM 0 HE2 MET C 80 90.201 -1.036 -4.108 1.00 0.00 H new ATOM 0 HE3 MET C 80 88.476 -0.652 -4.317 1.00 0.00 H new ATOM 1222 N MET C 81 88.026 -4.805 -0.709 1.00 0.00 N ATOM 1223 CA MET C 81 88.552 -4.537 0.623 1.00 0.00 C ATOM 1224 C MET C 81 89.067 -5.822 1.267 1.00 0.00 C ATOM 1225 O MET C 81 90.198 -5.883 1.748 1.00 0.00 O ATOM 1226 CB MET C 81 87.457 -3.942 1.507 1.00 0.00 C ATOM 1227 CG MET C 81 87.874 -2.546 1.963 1.00 0.00 C ATOM 1228 SD MET C 81 87.992 -1.448 0.529 1.00 0.00 S ATOM 1229 CE MET C 81 86.348 -1.781 -0.148 1.00 0.00 C ATOM 0 H MET C 81 87.093 -4.429 -0.881 1.00 0.00 H new ATOM 0 HA MET C 81 89.376 -3.829 0.527 1.00 0.00 H new ATOM 0 HB2 MET C 81 86.518 -3.891 0.956 1.00 0.00 H new ATOM 0 HB3 MET C 81 87.285 -4.583 2.372 1.00 0.00 H new ATOM 0 HG2 MET C 81 87.148 -2.153 2.675 1.00 0.00 H new ATOM 0 HG3 MET C 81 88.834 -2.592 2.478 1.00 0.00 H new ATOM 0 HE1 MET C 81 86.067 -0.980 -0.832 1.00 0.00 H new ATOM 0 HE2 MET C 81 86.361 -2.729 -0.685 1.00 0.00 H new ATOM 0 HE3 MET C 81 85.624 -1.834 0.665 1.00 0.00 H new ATOM 1239 N VAL C 82 88.215 -6.844 1.276 1.00 0.00 N ATOM 1240 CA VAL C 82 88.576 -8.130 1.870 1.00 0.00 C ATOM 1241 C VAL C 82 89.868 -8.672 1.266 1.00 0.00 C ATOM 1242 O VAL C 82 90.518 -9.542 1.844 1.00 0.00 O ATOM 1243 CB VAL C 82 87.462 -9.153 1.638 1.00 0.00 C ATOM 1244 CG1 VAL C 82 87.828 -10.472 2.321 1.00 0.00 C ATOM 1245 CG2 VAL C 82 86.152 -8.622 2.222 1.00 0.00 C ATOM 0 H VAL C 82 87.275 -6.808 0.881 1.00 0.00 H new ATOM 0 HA VAL C 82 88.720 -7.969 2.938 1.00 0.00 H new ATOM 0 HB VAL C 82 87.341 -9.321 0.568 1.00 0.00 H new ATOM 0 HG11 VAL C 82 87.034 -11.200 2.155 1.00 0.00 H new ATOM 0 HG12 VAL C 82 88.761 -10.851 1.904 1.00 0.00 H new ATOM 0 HG13 VAL C 82 87.950 -10.306 3.391 1.00 0.00 H new ATOM 0 HG21 VAL C 82 85.358 -9.351 2.057 1.00 0.00 H new ATOM 0 HG22 VAL C 82 86.273 -8.453 3.292 1.00 0.00 H new ATOM 0 HG23 VAL C 82 85.890 -7.683 1.734 1.00 0.00 H new ATOM 1255 N ARG C 83 90.229 -8.161 0.095 1.00 0.00 N ATOM 1256 CA ARG C 83 91.442 -8.618 -0.578 1.00 0.00 C ATOM 1257 C ARG C 83 92.670 -7.877 -0.058 1.00 0.00 C ATOM 1258 O ARG C 83 93.753 -8.451 0.059 1.00 0.00 O ATOM 1259 CB ARG C 83 91.330 -8.398 -2.088 1.00 0.00 C ATOM 1260 CG ARG C 83 91.274 -9.752 -2.798 1.00 0.00 C ATOM 1261 CD ARG C 83 90.518 -9.603 -4.119 1.00 0.00 C ATOM 1262 NE ARG C 83 91.201 -8.660 -5.000 1.00 0.00 N ATOM 1263 CZ ARG C 83 90.957 -8.641 -6.307 1.00 0.00 C ATOM 1264 NH1 ARG C 83 90.095 -9.476 -6.822 1.00 0.00 N ATOM 1265 NH2 ARG C 83 91.577 -7.788 -7.076 1.00 0.00 N ATOM 0 H ARG C 83 89.708 -7.440 -0.404 1.00 0.00 H new ATOM 0 HA ARG C 83 91.554 -9.682 -0.369 1.00 0.00 H new ATOM 0 HB2 ARG C 83 90.436 -7.818 -2.316 1.00 0.00 H new ATOM 0 HB3 ARG C 83 92.183 -7.822 -2.447 1.00 0.00 H new ATOM 0 HG2 ARG C 83 92.283 -10.120 -2.984 1.00 0.00 H new ATOM 0 HG3 ARG C 83 90.779 -10.487 -2.164 1.00 0.00 H new ATOM 0 HD2 ARG C 83 90.437 -10.573 -4.609 1.00 0.00 H new ATOM 0 HD3 ARG C 83 89.502 -9.258 -3.926 1.00 0.00 H new ATOM 0 HE ARG C 83 91.877 -8.005 -4.606 1.00 0.00 H new ATOM 0 HH11 ARG C 83 89.609 -10.142 -6.222 1.00 0.00 H new ATOM 0 HH12 ARG C 83 89.908 -9.462 -7.825 1.00 0.00 H new ATOM 0 HH21 ARG C 83 92.250 -7.135 -6.675 1.00 0.00 H new ATOM 0 HH22 ARG C 83 91.389 -7.775 -8.078 1.00 0.00 H new ATOM 1279 N CYS C 84 92.495 -6.594 0.244 1.00 0.00 N ATOM 1280 CA CYS C 84 93.603 -5.781 0.742 1.00 0.00 C ATOM 1281 C CYS C 84 93.766 -5.946 2.251 1.00 0.00 C ATOM 1282 O CYS C 84 94.878 -5.896 2.777 1.00 0.00 O ATOM 1283 CB CYS C 84 93.365 -4.303 0.426 1.00 0.00 C ATOM 1284 SG CYS C 84 92.009 -3.677 1.448 1.00 0.00 S ATOM 0 H CYS C 84 91.608 -6.098 0.155 1.00 0.00 H new ATOM 0 HA CYS C 84 94.512 -6.121 0.245 1.00 0.00 H new ATOM 0 HB2 CYS C 84 94.272 -3.729 0.616 1.00 0.00 H new ATOM 0 HB3 CYS C 84 93.125 -4.180 -0.630 1.00 0.00 H new ATOM 0 HG CYS C 84 91.177 -4.643 1.704 1.00 0.00 H new ATOM 1290 N MET C 85 92.646 -6.137 2.944 1.00 0.00 N ATOM 1291 CA MET C 85 92.681 -6.301 4.395 1.00 0.00 C ATOM 1292 C MET C 85 92.916 -7.762 4.775 1.00 0.00 C ATOM 1293 O MET C 85 92.958 -8.110 5.955 1.00 0.00 O ATOM 1294 CB MET C 85 91.366 -5.824 5.019 1.00 0.00 C ATOM 1295 CG MET C 85 90.244 -6.800 4.663 1.00 0.00 C ATOM 1296 SD MET C 85 88.678 -6.201 5.350 1.00 0.00 S ATOM 1297 CE MET C 85 88.820 -4.483 4.799 1.00 0.00 C ATOM 0 H MET C 85 91.714 -6.182 2.531 1.00 0.00 H new ATOM 0 HA MET C 85 93.505 -5.698 4.777 1.00 0.00 H new ATOM 0 HB2 MET C 85 91.470 -5.754 6.102 1.00 0.00 H new ATOM 0 HB3 MET C 85 91.121 -4.825 4.657 1.00 0.00 H new ATOM 0 HG2 MET C 85 90.164 -6.899 3.580 1.00 0.00 H new ATOM 0 HG3 MET C 85 90.471 -7.790 5.058 1.00 0.00 H new ATOM 0 HE1 MET C 85 87.826 -4.040 4.728 1.00 0.00 H new ATOM 0 HE2 MET C 85 89.418 -3.919 5.515 1.00 0.00 H new ATOM 0 HE3 MET C 85 89.301 -4.453 3.821 1.00 0.00 H new ATOM 1307 N LYS C 86 93.074 -8.615 3.764 1.00 0.00 N ATOM 1308 CA LYS C 86 93.310 -10.036 4.010 1.00 0.00 C ATOM 1309 C LYS C 86 94.308 -10.589 2.999 1.00 0.00 C ATOM 1310 O LYS C 86 94.423 -11.801 2.815 1.00 0.00 O ATOM 1311 CB LYS C 86 92.005 -10.829 3.905 1.00 0.00 C ATOM 1312 CG LYS C 86 90.902 -10.107 4.682 1.00 0.00 C ATOM 1313 CD LYS C 86 90.086 -11.127 5.478 1.00 0.00 C ATOM 1314 CE LYS C 86 90.100 -10.747 6.960 1.00 0.00 C ATOM 1315 NZ LYS C 86 89.504 -11.850 7.766 1.00 0.00 N ATOM 0 H LYS C 86 93.043 -8.351 2.779 1.00 0.00 H new ATOM 0 HA LYS C 86 93.712 -10.139 5.018 1.00 0.00 H new ATOM 0 HB2 LYS C 86 91.716 -10.937 2.859 1.00 0.00 H new ATOM 0 HB3 LYS C 86 92.145 -11.834 4.302 1.00 0.00 H new ATOM 0 HG2 LYS C 86 91.340 -9.370 5.356 1.00 0.00 H new ATOM 0 HG3 LYS C 86 90.254 -9.564 3.994 1.00 0.00 H new ATOM 0 HD2 LYS C 86 89.061 -11.156 5.109 1.00 0.00 H new ATOM 0 HD3 LYS C 86 90.502 -12.126 5.344 1.00 0.00 H new ATOM 0 HE2 LYS C 86 91.122 -10.556 7.287 1.00 0.00 H new ATOM 0 HE3 LYS C 86 89.538 -9.826 7.115 1.00 0.00 H new ATOM 0 HZ1 LYS C 86 88.693 -11.486 8.306 1.00 0.00 H new ATOM 0 HZ2 LYS C 86 89.185 -12.610 7.132 1.00 0.00 H new ATOM 0 HZ3 LYS C 86 90.218 -12.224 8.423 1.00 0.00 H new ATOM 1392 N ILE I 148 92.464 2.292 5.253 1.00 0.00 N ATOM 1393 CA ILE I 148 91.656 1.077 5.294 1.00 0.00 C ATOM 1394 C ILE I 148 91.738 0.429 6.672 1.00 0.00 C ATOM 1395 O ILE I 148 91.705 -0.795 6.802 1.00 0.00 O ATOM 1396 CB ILE I 148 92.142 0.077 4.244 1.00 0.00 C ATOM 1397 CG1 ILE I 148 92.254 0.777 2.888 1.00 0.00 C ATOM 1398 CG2 ILE I 148 91.148 -1.080 4.139 1.00 0.00 C ATOM 1399 CD1 ILE I 148 90.856 1.125 2.371 1.00 0.00 C ATOM 0 HA ILE I 148 90.623 1.352 5.083 1.00 0.00 H new ATOM 0 HB ILE I 148 93.118 -0.310 4.537 1.00 0.00 H new ATOM 0 HG12 ILE I 148 92.853 1.683 2.984 1.00 0.00 H new ATOM 0 HG13 ILE I 148 92.766 0.130 2.175 1.00 0.00 H new ATOM 0 HG21 ILE I 148 91.496 -1.792 3.390 1.00 0.00 H new ATOM 0 HG22 ILE I 148 91.068 -1.579 5.105 1.00 0.00 H new ATOM 0 HG23 ILE I 148 90.171 -0.695 3.847 1.00 0.00 H new ATOM 0 HD11 ILE I 148 90.939 1.623 1.405 1.00 0.00 H new ATOM 0 HD12 ILE I 148 90.272 0.212 2.259 1.00 0.00 H new ATOM 0 HD13 ILE I 148 90.360 1.788 3.080 1.00 0.00 H new ATOM 1411 N SER I 149 91.847 1.266 7.699 1.00 0.00 N ATOM 1412 CA SER I 149 91.935 0.768 9.068 1.00 0.00 C ATOM 1413 C SER I 149 90.549 0.405 9.596 1.00 0.00 C ATOM 1414 O SER I 149 90.417 -0.251 10.629 1.00 0.00 O ATOM 1415 CB SER I 149 92.555 1.825 9.981 1.00 0.00 C ATOM 1416 OG SER I 149 92.195 3.118 9.512 1.00 0.00 O ATOM 0 H SER I 149 91.876 2.282 7.612 1.00 0.00 H new ATOM 0 HA SER I 149 92.564 -0.122 9.062 1.00 0.00 H new ATOM 0 HB2 SER I 149 92.208 1.687 11.005 1.00 0.00 H new ATOM 0 HB3 SER I 149 93.640 1.719 9.995 1.00 0.00 H new ATOM 0 HG SER I 149 92.589 3.799 10.096 1.00 0.00 H new ATOM 1422 N ALA I 150 89.519 0.844 8.873 1.00 0.00 N ATOM 1423 CA ALA I 150 88.139 0.568 9.269 1.00 0.00 C ATOM 1424 C ALA I 150 87.640 1.618 10.258 1.00 0.00 C ATOM 1425 O ALA I 150 86.438 1.748 10.492 1.00 0.00 O ATOM 1426 CB ALA I 150 88.027 -0.815 9.913 1.00 0.00 C ATOM 0 H ALA I 150 89.613 1.389 8.016 1.00 0.00 H new ATOM 0 HA ALA I 150 87.526 0.599 8.369 1.00 0.00 H new ATOM 0 HB1 ALA I 150 86.992 -1.000 10.200 1.00 0.00 H new ATOM 0 HB2 ALA I 150 88.347 -1.575 9.200 1.00 0.00 H new ATOM 0 HB3 ALA I 150 88.662 -0.857 10.798 1.00 0.00 H new ATOM 1432 N ASP I 151 88.575 2.366 10.837 1.00 0.00 N ATOM 1433 CA ASP I 151 88.218 3.402 11.801 1.00 0.00 C ATOM 1434 C ASP I 151 87.851 4.697 11.083 1.00 0.00 C ATOM 1435 O ASP I 151 86.887 5.372 11.444 1.00 0.00 O ATOM 1436 CB ASP I 151 89.387 3.671 12.751 1.00 0.00 C ATOM 1437 CG ASP I 151 88.959 4.674 13.816 1.00 0.00 C ATOM 1438 OD1 ASP I 151 88.598 5.780 13.449 1.00 0.00 O ATOM 1439 OD2 ASP I 151 88.999 4.323 14.984 1.00 0.00 O ATOM 0 H ASP I 151 89.575 2.276 10.658 1.00 0.00 H new ATOM 0 HA ASP I 151 87.359 3.050 12.372 1.00 0.00 H new ATOM 0 HB2 ASP I 151 89.709 2.741 13.221 1.00 0.00 H new ATOM 0 HB3 ASP I 151 90.240 4.058 12.194 1.00 0.00 H new ATOM 1444 N ALA I 152 88.632 5.034 10.060 1.00 0.00 N ATOM 1445 CA ALA I 152 88.384 6.251 9.292 1.00 0.00 C ATOM 1446 C ALA I 152 86.963 6.251 8.735 1.00 0.00 C ATOM 1447 O ALA I 152 86.251 7.253 8.807 1.00 0.00 O ATOM 1448 CB ALA I 152 89.374 6.362 8.132 1.00 0.00 C ATOM 0 H ALA I 152 89.434 4.488 9.746 1.00 0.00 H new ATOM 0 HA ALA I 152 88.511 7.102 9.961 1.00 0.00 H new ATOM 0 HB1 ALA I 152 89.175 7.275 7.570 1.00 0.00 H new ATOM 0 HB2 ALA I 152 90.391 6.391 8.523 1.00 0.00 H new ATOM 0 HB3 ALA I 152 89.263 5.500 7.475 1.00 0.00 H new ATOM 1454 N MET I 153 86.560 5.112 8.179 1.00 0.00 N ATOM 1455 CA MET I 153 85.221 4.984 7.609 1.00 0.00 C ATOM 1456 C MET I 153 84.185 4.772 8.710 1.00 0.00 C ATOM 1457 O MET I 153 82.984 4.731 8.447 1.00 0.00 O ATOM 1458 CB MET I 153 85.164 3.801 6.641 1.00 0.00 C ATOM 1459 CG MET I 153 85.215 2.491 7.431 1.00 0.00 C ATOM 1460 SD MET I 153 85.783 1.154 6.351 1.00 0.00 S ATOM 1461 CE MET I 153 84.647 1.470 4.979 1.00 0.00 C ATOM 0 H MET I 153 87.134 4.272 8.111 1.00 0.00 H new ATOM 0 HA MET I 153 84.997 5.907 7.074 1.00 0.00 H new ATOM 0 HB2 MET I 153 84.250 3.846 6.049 1.00 0.00 H new ATOM 0 HB3 MET I 153 85.999 3.849 5.942 1.00 0.00 H new ATOM 0 HG2 MET I 153 85.887 2.594 8.283 1.00 0.00 H new ATOM 0 HG3 MET I 153 84.228 2.256 7.830 1.00 0.00 H new ATOM 0 HE1 MET I 153 84.814 0.735 4.192 1.00 0.00 H new ATOM 0 HE2 MET I 153 83.619 1.396 5.333 1.00 0.00 H new ATOM 0 HE3 MET I 153 84.823 2.470 4.584 1.00 0.00 H new ATOM 1471 N MET I 154 84.663 4.633 9.945 1.00 0.00 N ATOM 1472 CA MET I 154 83.769 4.420 11.080 1.00 0.00 C ATOM 1473 C MET I 154 83.253 5.752 11.618 1.00 0.00 C ATOM 1474 O MET I 154 82.206 5.814 12.263 1.00 0.00 O ATOM 1475 CB MET I 154 84.501 3.680 12.202 1.00 0.00 C ATOM 1476 CG MET I 154 83.665 2.484 12.660 1.00 0.00 C ATOM 1477 SD MET I 154 83.574 2.468 14.467 1.00 0.00 S ATOM 1478 CE MET I 154 81.801 2.138 14.601 1.00 0.00 C ATOM 0 H MET I 154 85.654 4.664 10.184 1.00 0.00 H new ATOM 0 HA MET I 154 82.926 3.821 10.735 1.00 0.00 H new ATOM 0 HB2 MET I 154 85.476 3.342 11.852 1.00 0.00 H new ATOM 0 HB3 MET I 154 84.679 4.354 13.040 1.00 0.00 H new ATOM 0 HG2 MET I 154 82.663 2.543 12.235 1.00 0.00 H new ATOM 0 HG3 MET I 154 84.110 1.556 12.299 1.00 0.00 H new ATOM 0 HE1 MET I 154 81.387 2.705 15.435 1.00 0.00 H new ATOM 0 HE2 MET I 154 81.305 2.436 13.678 1.00 0.00 H new ATOM 0 HE3 MET I 154 81.641 1.073 14.771 1.00 0.00 H new ATOM 1488 N GLN I 155 84.005 6.816 11.353 1.00 0.00 N ATOM 1489 CA GLN I 155 83.621 8.146 11.822 1.00 0.00 C ATOM 1490 C GLN I 155 82.653 8.809 10.846 1.00 0.00 C ATOM 1491 O GLN I 155 81.810 9.615 11.237 1.00 0.00 O ATOM 1492 CB GLN I 155 84.856 9.034 11.975 1.00 0.00 C ATOM 1493 CG GLN I 155 84.452 10.366 12.609 1.00 0.00 C ATOM 1494 CD GLN I 155 85.678 11.263 12.733 1.00 0.00 C ATOM 1495 OE1 GLN I 155 86.641 11.118 11.980 1.00 0.00 O ATOM 1496 NE2 GLN I 155 85.701 12.194 13.649 1.00 0.00 N ATOM 0 H GLN I 155 84.875 6.786 10.822 1.00 0.00 H new ATOM 0 HA GLN I 155 83.131 8.028 12.788 1.00 0.00 H new ATOM 0 HB2 GLN I 155 85.601 8.535 12.595 1.00 0.00 H new ATOM 0 HB3 GLN I 155 85.315 9.207 11.002 1.00 0.00 H new ATOM 0 HG2 GLN I 155 83.691 10.854 12.000 1.00 0.00 H new ATOM 0 HG3 GLN I 155 84.013 10.195 13.592 1.00 0.00 H new ATOM 0 HE21 GLN I 155 84.904 12.315 14.273 1.00 0.00 H new ATOM 0 HE22 GLN I 155 86.516 12.800 13.740 1.00 0.00 H new ATOM 1505 N ALA I 156 82.788 8.466 9.568 1.00 0.00 N ATOM 1506 CA ALA I 156 81.924 9.042 8.541 1.00 0.00 C ATOM 1507 C ALA I 156 80.491 8.532 8.684 1.00 0.00 C ATOM 1508 O ALA I 156 79.587 8.985 7.982 1.00 0.00 O ATOM 1509 CB ALA I 156 82.443 8.687 7.146 1.00 0.00 C ATOM 0 H ALA I 156 83.479 7.800 9.221 1.00 0.00 H new ATOM 0 HA ALA I 156 81.932 10.124 8.670 1.00 0.00 H new ATOM 0 HB1 ALA I 156 81.788 9.124 6.392 1.00 0.00 H new ATOM 0 HB2 ALA I 156 83.452 9.081 7.022 1.00 0.00 H new ATOM 0 HB3 ALA I 156 82.459 7.603 7.029 1.00 0.00 H new ATOM 1515 N LEU I 157 80.291 7.586 9.599 1.00 0.00 N ATOM 1516 CA LEU I 157 78.959 7.027 9.819 1.00 0.00 C ATOM 1517 C LEU I 157 78.794 6.579 11.270 1.00 0.00 C ATOM 1518 O LEU I 157 78.381 5.452 11.545 1.00 0.00 O ATOM 1519 CB LEU I 157 78.688 5.832 8.888 1.00 0.00 C ATOM 1520 CG LEU I 157 79.992 5.109 8.515 1.00 0.00 C ATOM 1521 CD1 LEU I 157 80.829 5.984 7.577 1.00 0.00 C ATOM 1522 CD2 LEU I 157 80.799 4.793 9.778 1.00 0.00 C ATOM 0 H LEU I 157 81.023 7.195 10.192 1.00 0.00 H new ATOM 0 HA LEU I 157 78.240 7.815 9.596 1.00 0.00 H new ATOM 0 HB2 LEU I 157 78.009 5.133 9.377 1.00 0.00 H new ATOM 0 HB3 LEU I 157 78.190 6.179 7.983 1.00 0.00 H new ATOM 0 HG LEU I 157 79.741 4.177 8.008 1.00 0.00 H new ATOM 0 HD11 LEU I 157 81.751 5.463 7.319 1.00 0.00 H new ATOM 0 HD12 LEU I 157 80.262 6.190 6.669 1.00 0.00 H new ATOM 0 HD13 LEU I 157 81.071 6.923 8.075 1.00 0.00 H new ATOM 0 HD21 LEU I 157 81.721 4.281 9.502 1.00 0.00 H new ATOM 0 HD22 LEU I 157 81.041 5.721 10.297 1.00 0.00 H new ATOM 0 HD23 LEU I 157 80.211 4.152 10.435 1.00 0.00 H new