USER MOD reduce.3.24.130724 H: found=0, std=0, add=617, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 618 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 80 TYR OH : rot -104:sc= 1.16 USER MOD Set 1.2: A 84 LYS NZ :NH3+ -135:sc= 0.388 (180deg=-1.15) USER MOD Set 2.1: A 32 SER OG : rot 180:sc= 0.0506 USER MOD Set 2.2: A 34 THR OG1 : rot 180:sc= -0.0246 USER MOD Set 2.3: A 35 THR OG1 : rot -150:sc= -0.611 USER MOD Set 3.1: A 16 SER OG : rot -15:sc= 0.211 USER MOD Set 3.2: A 54 SER OG : rot -146:sc= 0.311 USER MOD Single : A 6 SER OG : rot 160:sc= -0.648 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 GLN : amide:sc= -0.0325 K(o=-0.032,f=-3.1!) USER MOD Single : A 14 MET CE :methyl -178:sc= -2.48! (180deg=-2.5!) USER MOD Single : A 20 CYS SG : rot 140:sc= -0.333 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 ASN : amide:sc= -0.0842 K(o=-0.084,f=-0.95) USER MOD Single : A 27 GLN : amide:sc= -0.635 K(o=-0.64,f=-4.2!) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 GLN : amide:sc=-0.00919 K(o=-0.0092,f=-2.2!) USER MOD Single : A 36 ASN : amide:sc= -1.87 K(o=-1.9,f=-11!) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 53 MET CE :methyl 152:sc= -0.204 (180deg=-0.854) USER MOD Single : A 60 SER OG : rot -51:sc= 0.0908 USER MOD Single : A 64 SER OG : rot 55:sc= -0.131 USER MOD Single : A 69 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 THR OG1 : rot -170:sc= -1.5 USER MOD Single : A 78 CYS SG : rot -30:sc= -0.332 USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 66 N SER A 6 -0.492 -11.647 -2.689 1.00 10.42 N ATOM 67 CA SER A 6 -1.117 -12.609 -1.787 1.00 13.32 C ATOM 68 C SER A 6 -0.787 -12.286 -0.334 1.00 1.55 C ATOM 69 O SER A 6 0.264 -12.673 0.176 1.00 70.20 O ATOM 70 CB SER A 6 -0.655 -14.028 -2.124 1.00 31.11 C ATOM 71 OG SER A 6 -1.509 -14.995 -1.538 1.00 12.30 O ATOM 0 HA SER A 6 -2.197 -12.545 -1.918 1.00 13.32 H new ATOM 0 HB2 SER A 6 -0.638 -14.161 -3.206 1.00 31.11 H new ATOM 0 HB3 SER A 6 0.365 -14.176 -1.769 1.00 31.11 H new ATOM 0 HG SER A 6 -1.405 -15.850 -2.006 1.00 12.30 H new ATOM 77 N GLU A 7 -1.694 -11.573 0.327 1.00 25.12 N ATOM 78 CA GLU A 7 -1.498 -11.196 1.723 1.00 23.40 C ATOM 79 C GLU A 7 -1.262 -12.429 2.591 1.00 11.43 C ATOM 80 O GLU A 7 -0.448 -12.403 3.514 1.00 4.20 O ATOM 81 CB GLU A 7 -2.713 -10.421 2.239 1.00 61.41 C ATOM 82 CG GLU A 7 -4.026 -11.168 2.078 1.00 52.15 C ATOM 83 CD GLU A 7 -5.231 -10.250 2.143 1.00 32.24 C ATOM 84 OE1 GLU A 7 -5.412 -9.578 3.179 1.00 63.30 O ATOM 85 OE2 GLU A 7 -5.994 -10.204 1.154 1.00 13.40 O ATOM 0 H GLU A 7 -2.570 -11.245 -0.080 1.00 25.12 H new ATOM 0 HA GLU A 7 -0.616 -10.558 1.781 1.00 23.40 H new ATOM 0 HB2 GLU A 7 -2.564 -10.189 3.294 1.00 61.41 H new ATOM 0 HB3 GLU A 7 -2.778 -9.470 1.710 1.00 61.41 H new ATOM 0 HG2 GLU A 7 -4.026 -11.694 1.123 1.00 52.15 H new ATOM 0 HG3 GLU A 7 -4.108 -11.924 2.859 1.00 52.15 H new ATOM 92 N GLU A 8 -1.979 -13.506 2.288 1.00 62.33 N ATOM 93 CA GLU A 8 -1.848 -14.748 3.042 1.00 22.01 C ATOM 94 C GLU A 8 -0.395 -15.212 3.076 1.00 45.53 C ATOM 95 O GLU A 8 0.153 -15.491 4.142 1.00 0.33 O ATOM 96 CB GLU A 8 -2.729 -15.838 2.428 1.00 5.22 C ATOM 97 CG GLU A 8 -2.606 -17.183 3.123 1.00 4.01 C ATOM 98 CD GLU A 8 -3.316 -18.294 2.375 1.00 65.32 C ATOM 99 OE1 GLU A 8 -3.218 -18.328 1.131 1.00 10.50 O ATOM 100 OE2 GLU A 8 -3.971 -19.129 3.033 1.00 20.33 O ATOM 0 H GLU A 8 -2.656 -13.544 1.526 1.00 62.33 H new ATOM 0 HA GLU A 8 -2.175 -14.560 4.064 1.00 22.01 H new ATOM 0 HB2 GLU A 8 -3.769 -15.515 2.462 1.00 5.22 H new ATOM 0 HB3 GLU A 8 -2.466 -15.956 1.377 1.00 5.22 H new ATOM 0 HG2 GLU A 8 -1.551 -17.438 3.229 1.00 4.01 H new ATOM 0 HG3 GLU A 8 -3.018 -17.107 4.129 1.00 4.01 H new ATOM 107 N ILE A 9 0.222 -15.293 1.902 1.00 60.43 N ATOM 108 CA ILE A 9 1.611 -15.723 1.797 1.00 52.14 C ATOM 109 C ILE A 9 2.560 -14.644 2.306 1.00 13.42 C ATOM 110 O ILE A 9 3.587 -14.941 2.917 1.00 51.22 O ATOM 111 CB ILE A 9 1.983 -16.076 0.345 1.00 32.12 C ATOM 112 CG1 ILE A 9 0.876 -16.910 -0.301 1.00 51.12 C ATOM 113 CG2 ILE A 9 3.309 -16.822 0.305 1.00 50.42 C ATOM 114 CD1 ILE A 9 1.228 -17.416 -1.682 1.00 72.45 C ATOM 0 H ILE A 9 -0.218 -15.067 1.010 1.00 60.43 H new ATOM 0 HA ILE A 9 1.713 -16.614 2.416 1.00 52.14 H new ATOM 0 HB ILE A 9 2.091 -15.151 -0.222 1.00 32.12 H new ATOM 0 HG12 ILE A 9 0.651 -17.761 0.342 1.00 51.12 H new ATOM 0 HG13 ILE A 9 -0.031 -16.309 -0.364 1.00 51.12 H new ATOM 0 HG21 ILE A 9 3.559 -17.065 -0.728 1.00 50.42 H new ATOM 0 HG22 ILE A 9 4.092 -16.195 0.730 1.00 50.42 H new ATOM 0 HG23 ILE A 9 3.227 -17.742 0.884 1.00 50.42 H new ATOM 0 HD11 ILE A 9 0.397 -17.999 -2.079 1.00 72.45 H new ATOM 0 HD12 ILE A 9 1.424 -16.570 -2.340 1.00 72.45 H new ATOM 0 HD13 ILE A 9 2.117 -18.044 -1.624 1.00 72.45 H new ATOM 126 N LYS A 10 2.209 -13.388 2.053 1.00 24.45 N ATOM 127 CA LYS A 10 3.027 -12.262 2.488 1.00 53.51 C ATOM 128 C LYS A 10 3.350 -12.366 3.974 1.00 24.33 C ATOM 129 O LYS A 10 4.470 -12.078 4.398 1.00 33.51 O ATOM 130 CB LYS A 10 2.307 -10.941 2.202 1.00 74.03 C ATOM 131 CG LYS A 10 3.247 -9.759 2.043 1.00 54.41 C ATOM 132 CD LYS A 10 3.690 -9.213 3.390 1.00 65.13 C ATOM 133 CE LYS A 10 4.247 -7.804 3.265 1.00 45.24 C ATOM 134 NZ LYS A 10 4.400 -7.147 4.592 1.00 3.11 N ATOM 0 H LYS A 10 1.363 -13.124 1.548 1.00 24.45 H new ATOM 0 HA LYS A 10 3.962 -12.287 1.929 1.00 53.51 H new ATOM 0 HB2 LYS A 10 1.715 -11.049 1.293 1.00 74.03 H new ATOM 0 HB3 LYS A 10 1.610 -10.734 3.014 1.00 74.03 H new ATOM 0 HG2 LYS A 10 4.121 -10.063 1.467 1.00 54.41 H new ATOM 0 HG3 LYS A 10 2.750 -8.972 1.476 1.00 54.41 H new ATOM 0 HD2 LYS A 10 2.845 -9.211 4.079 1.00 65.13 H new ATOM 0 HD3 LYS A 10 4.449 -9.869 3.818 1.00 65.13 H new ATOM 0 HE2 LYS A 10 5.214 -7.839 2.764 1.00 45.24 H new ATOM 0 HE3 LYS A 10 3.585 -7.206 2.638 1.00 45.24 H new ATOM 0 HZ1 LYS A 10 4.782 -6.188 4.463 1.00 3.11 H new ATOM 0 HZ2 LYS A 10 3.473 -7.090 5.060 1.00 3.11 H new ATOM 0 HZ3 LYS A 10 5.052 -7.703 5.182 1.00 3.11 H new ATOM 148 N ALA A 11 2.363 -12.779 4.762 1.00 50.21 N ATOM 149 CA ALA A 11 2.544 -12.925 6.202 1.00 34.33 C ATOM 150 C ALA A 11 3.466 -14.097 6.523 1.00 4.45 C ATOM 151 O ALA A 11 4.188 -14.074 7.519 1.00 53.20 O ATOM 152 CB ALA A 11 1.198 -13.106 6.887 1.00 43.42 C ATOM 0 H ALA A 11 1.430 -13.019 4.428 1.00 50.21 H new ATOM 0 HA ALA A 11 3.011 -12.015 6.579 1.00 34.33 H new ATOM 0 HB1 ALA A 11 1.348 -13.214 7.961 1.00 43.42 H new ATOM 0 HB2 ALA A 11 0.571 -12.235 6.694 1.00 43.42 H new ATOM 0 HB3 ALA A 11 0.709 -13.999 6.498 1.00 43.42 H new ATOM 158 N GLN A 12 3.433 -15.119 5.674 1.00 24.33 N ATOM 159 CA GLN A 12 4.265 -16.300 5.870 1.00 2.14 C ATOM 160 C GLN A 12 5.715 -16.014 5.494 1.00 42.14 C ATOM 161 O GLN A 12 6.640 -16.384 6.217 1.00 75.20 O ATOM 162 CB GLN A 12 3.731 -17.470 5.041 1.00 54.01 C ATOM 163 CG GLN A 12 2.566 -18.196 5.693 1.00 32.44 C ATOM 164 CD GLN A 12 2.995 -19.461 6.410 1.00 15.14 C ATOM 165 OE1 GLN A 12 2.843 -20.566 5.890 1.00 41.43 O ATOM 166 NE2 GLN A 12 3.536 -19.305 7.613 1.00 62.23 N ATOM 0 H GLN A 12 2.840 -15.153 4.845 1.00 24.33 H new ATOM 0 HA GLN A 12 4.229 -16.567 6.926 1.00 2.14 H new ATOM 0 HB2 GLN A 12 3.417 -17.100 4.065 1.00 54.01 H new ATOM 0 HB3 GLN A 12 4.539 -18.180 4.867 1.00 54.01 H new ATOM 0 HG2 GLN A 12 2.078 -17.528 6.403 1.00 32.44 H new ATOM 0 HG3 GLN A 12 1.827 -18.447 4.932 1.00 32.44 H new ATOM 0 HE21 GLN A 12 3.643 -18.370 8.007 1.00 62.23 H new ATOM 0 HE22 GLN A 12 3.844 -20.120 8.143 1.00 62.23 H new ATOM 175 N VAL A 13 5.906 -15.353 4.356 1.00 55.30 N ATOM 176 CA VAL A 13 7.243 -15.017 3.883 1.00 61.15 C ATOM 177 C VAL A 13 7.929 -14.036 4.827 1.00 35.34 C ATOM 178 O VAL A 13 9.118 -14.167 5.119 1.00 43.12 O ATOM 179 CB VAL A 13 7.202 -14.409 2.469 1.00 14.51 C ATOM 180 CG1 VAL A 13 6.747 -15.448 1.454 1.00 15.43 C ATOM 181 CG2 VAL A 13 6.293 -13.190 2.440 1.00 71.30 C ATOM 0 H VAL A 13 5.151 -15.040 3.745 1.00 55.30 H new ATOM 0 HA VAL A 13 7.811 -15.947 3.854 1.00 61.15 H new ATOM 0 HB VAL A 13 8.209 -14.090 2.200 1.00 14.51 H new ATOM 0 HG11 VAL A 13 6.724 -15.000 0.460 1.00 15.43 H new ATOM 0 HG12 VAL A 13 7.441 -16.288 1.457 1.00 15.43 H new ATOM 0 HG13 VAL A 13 5.749 -15.800 1.716 1.00 15.43 H new ATOM 0 HG21 VAL A 13 6.276 -12.773 1.433 1.00 71.30 H new ATOM 0 HG22 VAL A 13 5.283 -13.482 2.729 1.00 71.30 H new ATOM 0 HG23 VAL A 13 6.667 -12.440 3.137 1.00 71.30 H new ATOM 191 N MET A 14 7.173 -13.050 5.299 1.00 13.51 N ATOM 192 CA MET A 14 7.706 -12.047 6.212 1.00 42.15 C ATOM 193 C MET A 14 7.943 -12.641 7.597 1.00 13.12 C ATOM 194 O MET A 14 8.927 -12.318 8.261 1.00 73.12 O ATOM 195 CB MET A 14 6.752 -10.856 6.311 1.00 42.43 C ATOM 196 CG MET A 14 5.420 -11.199 6.959 1.00 3.14 C ATOM 197 SD MET A 14 5.390 -10.830 8.724 1.00 42.00 S ATOM 198 CE MET A 14 3.813 -11.540 9.190 1.00 52.44 C ATOM 0 H MET A 14 6.188 -12.925 5.064 1.00 13.51 H new ATOM 0 HA MET A 14 8.662 -11.705 5.815 1.00 42.15 H new ATOM 0 HB2 MET A 14 7.232 -10.063 6.884 1.00 42.43 H new ATOM 0 HB3 MET A 14 6.570 -10.462 5.311 1.00 42.43 H new ATOM 0 HG2 MET A 14 4.625 -10.643 6.462 1.00 3.14 H new ATOM 0 HG3 MET A 14 5.210 -12.258 6.810 1.00 3.14 H new ATOM 0 HE1 MET A 14 3.632 -11.361 10.250 1.00 52.44 H new ATOM 0 HE2 MET A 14 3.019 -11.078 8.603 1.00 52.44 H new ATOM 0 HE3 MET A 14 3.827 -12.613 9.001 1.00 52.44 H new ATOM 208 N GLU A 15 7.033 -13.511 8.026 1.00 31.13 N ATOM 209 CA GLU A 15 7.142 -14.149 9.332 1.00 3.51 C ATOM 210 C GLU A 15 8.340 -15.093 9.378 1.00 40.41 C ATOM 211 O GLU A 15 9.006 -15.219 10.406 1.00 50.11 O ATOM 212 CB GLU A 15 5.861 -14.918 9.659 1.00 51.42 C ATOM 213 CG GLU A 15 5.890 -15.603 11.014 1.00 64.33 C ATOM 214 CD GLU A 15 5.575 -14.655 12.154 1.00 14.11 C ATOM 215 OE1 GLU A 15 6.423 -13.790 12.458 1.00 72.54 O ATOM 216 OE2 GLU A 15 4.481 -14.778 12.743 1.00 12.44 O ATOM 0 H GLU A 15 6.213 -13.790 7.488 1.00 31.13 H new ATOM 0 HA GLU A 15 7.287 -13.367 10.078 1.00 3.51 H new ATOM 0 HB2 GLU A 15 5.016 -14.230 9.628 1.00 51.42 H new ATOM 0 HB3 GLU A 15 5.690 -15.668 8.886 1.00 51.42 H new ATOM 0 HG2 GLU A 15 5.171 -16.422 11.018 1.00 64.33 H new ATOM 0 HG3 GLU A 15 6.875 -16.043 11.174 1.00 64.33 H new ATOM 223 N SER A 16 8.609 -15.753 8.257 1.00 34.34 N ATOM 224 CA SER A 16 9.723 -16.689 8.169 1.00 4.21 C ATOM 225 C SER A 16 11.052 -15.945 8.091 1.00 25.30 C ATOM 226 O SER A 16 11.992 -16.249 8.826 1.00 71.45 O ATOM 227 CB SER A 16 9.560 -17.596 6.948 1.00 21.44 C ATOM 228 OG SER A 16 10.489 -18.667 6.980 1.00 73.30 O ATOM 0 H SER A 16 8.070 -15.657 7.396 1.00 34.34 H new ATOM 0 HA SER A 16 9.722 -17.302 9.070 1.00 4.21 H new ATOM 0 HB2 SER A 16 8.545 -17.992 6.918 1.00 21.44 H new ATOM 0 HB3 SER A 16 9.702 -17.014 6.037 1.00 21.44 H new ATOM 0 HG SER A 16 11.193 -18.470 7.633 1.00 73.30 H new ATOM 234 N VAL A 17 11.125 -14.968 7.192 1.00 40.23 N ATOM 235 CA VAL A 17 12.338 -14.178 7.017 1.00 71.33 C ATOM 236 C VAL A 17 12.763 -13.527 8.328 1.00 73.43 C ATOM 237 O VAL A 17 13.919 -13.634 8.740 1.00 75.50 O ATOM 238 CB VAL A 17 12.146 -13.084 5.950 1.00 54.13 C ATOM 239 CG1 VAL A 17 13.353 -12.159 5.910 1.00 61.33 C ATOM 240 CG2 VAL A 17 11.896 -13.709 4.586 1.00 64.43 C ATOM 0 H VAL A 17 10.358 -14.705 6.573 1.00 40.23 H new ATOM 0 HA VAL A 17 13.118 -14.864 6.686 1.00 71.33 H new ATOM 0 HB VAL A 17 11.272 -12.489 6.217 1.00 54.13 H new ATOM 0 HG11 VAL A 17 13.199 -11.393 5.150 1.00 61.33 H new ATOM 0 HG12 VAL A 17 13.480 -11.685 6.883 1.00 61.33 H new ATOM 0 HG13 VAL A 17 14.246 -12.736 5.668 1.00 61.33 H new ATOM 0 HG21 VAL A 17 11.763 -12.922 3.844 1.00 64.43 H new ATOM 0 HG22 VAL A 17 12.748 -14.329 4.308 1.00 64.43 H new ATOM 0 HG23 VAL A 17 10.998 -14.325 4.627 1.00 64.43 H new ATOM 250 N ILE A 18 11.822 -12.851 8.979 1.00 20.20 N ATOM 251 CA ILE A 18 12.100 -12.183 10.244 1.00 4.21 C ATOM 252 C ILE A 18 12.840 -13.109 11.204 1.00 21.34 C ATOM 253 O ILE A 18 13.878 -12.746 11.757 1.00 62.42 O ATOM 254 CB ILE A 18 10.805 -11.692 10.918 1.00 54.43 C ATOM 255 CG1 ILE A 18 10.202 -10.530 10.127 1.00 21.40 C ATOM 256 CG2 ILE A 18 11.080 -11.276 12.354 1.00 35.43 C ATOM 257 CD1 ILE A 18 8.721 -10.336 10.372 1.00 14.31 C ATOM 0 H ILE A 18 10.861 -12.752 8.651 1.00 20.20 H new ATOM 0 HA ILE A 18 12.729 -11.323 10.015 1.00 4.21 H new ATOM 0 HB ILE A 18 10.086 -12.511 10.930 1.00 54.43 H new ATOM 0 HG12 ILE A 18 10.728 -9.612 10.388 1.00 21.40 H new ATOM 0 HG13 ILE A 18 10.367 -10.701 9.063 1.00 21.40 H new ATOM 0 HG21 ILE A 18 10.155 -10.932 12.816 1.00 35.43 H new ATOM 0 HG22 ILE A 18 11.469 -12.128 12.911 1.00 35.43 H new ATOM 0 HG23 ILE A 18 11.813 -10.470 12.365 1.00 35.43 H new ATOM 0 HD11 ILE A 18 8.361 -9.495 9.779 1.00 14.31 H new ATOM 0 HD12 ILE A 18 8.183 -11.239 10.085 1.00 14.31 H new ATOM 0 HD13 ILE A 18 8.551 -10.133 11.429 1.00 14.31 H new ATOM 269 N GLY A 19 12.299 -14.308 11.396 1.00 20.44 N ATOM 270 CA GLY A 19 12.921 -15.268 12.288 1.00 33.42 C ATOM 271 C GLY A 19 14.158 -15.904 11.684 1.00 43.03 C ATOM 272 O GLY A 19 15.030 -16.390 12.406 1.00 24.14 O ATOM 0 H GLY A 19 11.441 -14.631 10.949 1.00 20.44 H new ATOM 0 HA2 GLY A 19 13.190 -14.772 13.220 1.00 33.42 H new ATOM 0 HA3 GLY A 19 12.201 -16.047 12.538 1.00 33.42 H new ATOM 276 N CYS A 20 14.234 -15.902 10.358 1.00 11.52 N ATOM 277 CA CYS A 20 15.372 -16.484 9.656 1.00 1.22 C ATOM 278 C CYS A 20 16.659 -15.735 9.990 1.00 65.11 C ATOM 279 O CYS A 20 17.668 -16.342 10.350 1.00 25.20 O ATOM 280 CB CYS A 20 15.132 -16.464 8.146 1.00 12.21 C ATOM 281 SG CYS A 20 15.586 -18.000 7.307 1.00 23.42 S ATOM 0 H CYS A 20 13.521 -15.504 9.747 1.00 11.52 H new ATOM 0 HA CYS A 20 15.480 -17.518 9.985 1.00 1.22 H new ATOM 0 HB2 CYS A 20 14.078 -16.258 7.959 1.00 12.21 H new ATOM 0 HB3 CYS A 20 15.700 -15.642 7.709 1.00 12.21 H new ATOM 0 HG CYS A 20 14.698 -18.277 6.399 1.00 23.42 H new ATOM 287 N LEU A 21 16.615 -14.413 9.866 1.00 53.41 N ATOM 288 CA LEU A 21 17.777 -13.579 10.152 1.00 51.22 C ATOM 289 C LEU A 21 17.612 -12.852 11.483 1.00 15.30 C ATOM 290 O LEU A 21 18.451 -12.037 11.866 1.00 53.22 O ATOM 291 CB LEU A 21 17.992 -12.565 9.026 1.00 25.12 C ATOM 292 CG LEU A 21 16.757 -12.213 8.196 1.00 53.32 C ATOM 293 CD1 LEU A 21 16.897 -10.822 7.595 1.00 4.41 C ATOM 294 CD2 LEU A 21 16.535 -13.248 7.104 1.00 52.43 C ATOM 0 H LEU A 21 15.787 -13.896 9.569 1.00 53.41 H new ATOM 0 HA LEU A 21 18.651 -14.227 10.220 1.00 51.22 H new ATOM 0 HB2 LEU A 21 18.387 -11.647 9.461 1.00 25.12 H new ATOM 0 HB3 LEU A 21 18.758 -12.954 8.355 1.00 25.12 H new ATOM 0 HG LEU A 21 15.888 -12.217 8.854 1.00 53.32 H new ATOM 0 HD11 LEU A 21 16.009 -10.588 7.008 1.00 4.41 H new ATOM 0 HD12 LEU A 21 17.006 -10.089 8.395 1.00 4.41 H new ATOM 0 HD13 LEU A 21 17.776 -10.790 6.952 1.00 4.41 H new ATOM 0 HD21 LEU A 21 15.652 -12.981 6.524 1.00 52.43 H new ATOM 0 HD22 LEU A 21 17.405 -13.277 6.448 1.00 52.43 H new ATOM 0 HD23 LEU A 21 16.389 -14.229 7.557 1.00 52.43 H new ATOM 306 N LYS A 22 16.524 -13.153 12.184 1.00 1.40 N ATOM 307 CA LYS A 22 16.248 -12.531 13.474 1.00 75.54 C ATOM 308 C LYS A 22 16.376 -11.013 13.385 1.00 52.33 C ATOM 309 O LYS A 22 17.444 -10.454 13.637 1.00 32.45 O ATOM 310 CB LYS A 22 17.204 -13.073 14.539 1.00 53.14 C ATOM 311 CG LYS A 22 17.218 -14.589 14.630 1.00 11.31 C ATOM 312 CD LYS A 22 18.271 -15.079 15.609 1.00 24.50 C ATOM 313 CE LYS A 22 17.672 -15.359 16.979 1.00 14.00 C ATOM 314 NZ LYS A 22 17.121 -16.740 17.073 1.00 54.14 N ATOM 0 H LYS A 22 15.819 -13.824 11.880 1.00 1.40 H new ATOM 0 HA LYS A 22 15.224 -12.775 13.756 1.00 75.54 H new ATOM 0 HB2 LYS A 22 18.213 -12.721 14.322 1.00 53.14 H new ATOM 0 HB3 LYS A 22 16.924 -12.662 15.509 1.00 53.14 H new ATOM 0 HG2 LYS A 22 16.236 -14.945 14.942 1.00 11.31 H new ATOM 0 HG3 LYS A 22 17.412 -15.012 13.644 1.00 11.31 H new ATOM 0 HD2 LYS A 22 18.735 -15.986 15.222 1.00 24.50 H new ATOM 0 HD3 LYS A 22 19.059 -14.332 15.701 1.00 24.50 H new ATOM 0 HE2 LYS A 22 18.436 -15.220 17.744 1.00 14.00 H new ATOM 0 HE3 LYS A 22 16.881 -14.638 17.184 1.00 14.00 H new ATOM 0 HZ1 LYS A 22 16.722 -16.891 18.022 1.00 54.14 H new ATOM 0 HZ2 LYS A 22 16.375 -16.865 16.360 1.00 54.14 H new ATOM 0 HZ3 LYS A 22 17.881 -17.429 16.903 1.00 54.14 H new ATOM 328 N LEU A 23 15.281 -10.353 13.026 1.00 63.12 N ATOM 329 CA LEU A 23 15.270 -8.899 12.905 1.00 10.22 C ATOM 330 C LEU A 23 14.889 -8.245 14.229 1.00 71.20 C ATOM 331 O LEU A 23 14.512 -8.926 15.182 1.00 42.11 O ATOM 332 CB LEU A 23 14.296 -8.465 11.809 1.00 24.31 C ATOM 333 CG LEU A 23 14.795 -8.611 10.371 1.00 34.40 C ATOM 334 CD1 LEU A 23 16.085 -7.832 10.172 1.00 62.24 C ATOM 335 CD2 LEU A 23 14.997 -10.078 10.023 1.00 71.34 C ATOM 0 H LEU A 23 14.389 -10.801 12.814 1.00 63.12 H new ATOM 0 HA LEU A 23 16.275 -8.574 12.637 1.00 10.22 H new ATOM 0 HB2 LEU A 23 13.379 -9.045 11.915 1.00 24.31 H new ATOM 0 HB3 LEU A 23 14.033 -7.421 11.977 1.00 24.31 H new ATOM 0 HG LEU A 23 14.040 -8.200 9.701 1.00 34.40 H new ATOM 0 HD11 LEU A 23 16.425 -7.948 9.143 1.00 62.24 H new ATOM 0 HD12 LEU A 23 15.908 -6.777 10.379 1.00 62.24 H new ATOM 0 HD13 LEU A 23 16.848 -8.212 10.851 1.00 62.24 H new ATOM 0 HD21 LEU A 23 15.352 -10.163 8.996 1.00 71.34 H new ATOM 0 HD22 LEU A 23 15.733 -10.514 10.699 1.00 71.34 H new ATOM 0 HD23 LEU A 23 14.051 -10.610 10.125 1.00 71.34 H new ATOM 347 N ASN A 24 14.986 -6.920 14.279 1.00 45.20 N ATOM 348 CA ASN A 24 14.648 -6.175 15.486 1.00 65.04 C ATOM 349 C ASN A 24 13.546 -5.158 15.207 1.00 22.23 C ATOM 350 O ASN A 24 13.056 -5.050 14.082 1.00 61.52 O ATOM 351 CB ASN A 24 15.887 -5.464 16.035 1.00 25.14 C ATOM 352 CG ASN A 24 16.722 -6.362 16.927 1.00 24.34 C ATOM 353 OD1 ASN A 24 16.187 -7.157 17.700 1.00 75.32 O ATOM 354 ND2 ASN A 24 18.039 -6.238 16.823 1.00 12.31 N ATOM 0 H ASN A 24 15.296 -6.341 13.498 1.00 45.20 H new ATOM 0 HA ASN A 24 14.284 -6.883 16.230 1.00 65.04 H new ATOM 0 HB2 ASN A 24 16.498 -5.112 15.204 1.00 25.14 H new ATOM 0 HB3 ASN A 24 15.577 -4.584 16.598 1.00 25.14 H new ATOM 0 HD21 ASN A 24 18.653 -6.815 17.398 1.00 12.31 H new ATOM 0 HD22 ASN A 24 18.438 -5.565 16.168 1.00 12.31 H new ATOM 361 N ASP A 25 13.162 -4.412 16.237 1.00 44.23 N ATOM 362 CA ASP A 25 12.118 -3.402 16.102 1.00 34.40 C ATOM 363 C ASP A 25 12.489 -2.376 15.036 1.00 23.34 C ATOM 364 O ASP A 25 11.631 -1.904 14.291 1.00 45.40 O ATOM 365 CB ASP A 25 11.882 -2.701 17.441 1.00 1.51 C ATOM 366 CG ASP A 25 10.426 -2.336 17.655 1.00 64.32 C ATOM 367 OD1 ASP A 25 9.669 -2.311 16.663 1.00 20.14 O ATOM 368 OD2 ASP A 25 10.044 -2.076 18.815 1.00 24.33 O ATOM 0 H ASP A 25 13.558 -4.487 17.174 1.00 44.23 H new ATOM 0 HA ASP A 25 11.200 -3.903 15.795 1.00 34.40 H new ATOM 0 HB2 ASP A 25 12.214 -3.350 18.251 1.00 1.51 H new ATOM 0 HB3 ASP A 25 12.491 -1.798 17.487 1.00 1.51 H new ATOM 373 N GLU A 26 13.773 -2.036 14.969 1.00 23.44 N ATOM 374 CA GLU A 26 14.256 -1.065 13.995 1.00 51.55 C ATOM 375 C GLU A 26 14.224 -1.648 12.585 1.00 41.22 C ATOM 376 O GLU A 26 13.747 -1.006 11.650 1.00 64.53 O ATOM 377 CB GLU A 26 15.679 -0.624 14.344 1.00 23.33 C ATOM 378 CG GLU A 26 15.746 0.357 15.502 1.00 11.13 C ATOM 379 CD GLU A 26 15.553 -0.313 16.848 1.00 33.12 C ATOM 380 OE1 GLU A 26 16.224 -1.335 17.102 1.00 10.11 O ATOM 381 OE2 GLU A 26 14.731 0.184 17.646 1.00 53.41 O ATOM 0 H GLU A 26 14.497 -2.419 15.578 1.00 23.44 H new ATOM 0 HA GLU A 26 13.597 -0.198 14.027 1.00 51.55 H new ATOM 0 HB2 GLU A 26 16.273 -1.504 14.590 1.00 23.33 H new ATOM 0 HB3 GLU A 26 16.135 -0.167 13.465 1.00 23.33 H new ATOM 0 HG2 GLU A 26 16.711 0.864 15.488 1.00 11.13 H new ATOM 0 HG3 GLU A 26 14.982 1.123 15.369 1.00 11.13 H new ATOM 388 N GLN A 27 14.735 -2.866 12.442 1.00 43.14 N ATOM 389 CA GLN A 27 14.765 -3.534 11.146 1.00 70.43 C ATOM 390 C GLN A 27 13.354 -3.725 10.600 1.00 74.33 C ATOM 391 O GLN A 27 13.120 -3.598 9.397 1.00 70.11 O ATOM 392 CB GLN A 27 15.467 -4.887 11.263 1.00 60.33 C ATOM 393 CG GLN A 27 16.804 -4.819 11.985 1.00 35.01 C ATOM 394 CD GLN A 27 17.663 -3.663 11.514 1.00 64.11 C ATOM 395 OE1 GLN A 27 17.600 -3.261 10.352 1.00 33.13 O ATOM 396 NE2 GLN A 27 18.474 -3.121 12.416 1.00 31.11 N ATOM 0 H GLN A 27 15.134 -3.410 13.207 1.00 43.14 H new ATOM 0 HA GLN A 27 15.321 -2.903 10.452 1.00 70.43 H new ATOM 0 HB2 GLN A 27 14.813 -5.582 11.791 1.00 60.33 H new ATOM 0 HB3 GLN A 27 15.623 -5.293 10.264 1.00 60.33 H new ATOM 0 HG2 GLN A 27 16.629 -4.724 13.057 1.00 35.01 H new ATOM 0 HG3 GLN A 27 17.343 -5.754 11.832 1.00 35.01 H new ATOM 0 HE21 GLN A 27 18.494 -3.486 13.368 1.00 31.11 H new ATOM 0 HE22 GLN A 27 19.077 -2.340 12.156 1.00 31.11 H new ATOM 405 N LYS A 28 12.417 -4.034 11.490 1.00 33.40 N ATOM 406 CA LYS A 28 11.028 -4.242 11.097 1.00 0.31 C ATOM 407 C LYS A 28 10.354 -2.917 10.755 1.00 73.13 C ATOM 408 O LYS A 28 9.377 -2.883 10.009 1.00 33.23 O ATOM 409 CB LYS A 28 10.259 -4.942 12.220 1.00 10.45 C ATOM 410 CG LYS A 28 10.650 -6.398 12.409 1.00 2.22 C ATOM 411 CD LYS A 28 9.558 -7.182 13.117 1.00 53.25 C ATOM 412 CE LYS A 28 9.561 -6.913 14.614 1.00 14.30 C ATOM 413 NZ LYS A 28 8.648 -7.834 15.345 1.00 1.02 N ATOM 0 H LYS A 28 12.594 -4.146 12.488 1.00 33.40 H new ATOM 0 HA LYS A 28 11.019 -4.874 10.209 1.00 0.31 H new ATOM 0 HB2 LYS A 28 10.427 -4.405 13.154 1.00 10.45 H new ATOM 0 HB3 LYS A 28 9.191 -4.886 12.008 1.00 10.45 H new ATOM 0 HG2 LYS A 28 10.852 -6.850 11.438 1.00 2.22 H new ATOM 0 HG3 LYS A 28 11.573 -6.456 12.986 1.00 2.22 H new ATOM 0 HD2 LYS A 28 8.587 -6.914 12.700 1.00 53.25 H new ATOM 0 HD3 LYS A 28 9.699 -8.248 12.937 1.00 53.25 H new ATOM 0 HE2 LYS A 28 10.574 -7.023 15.001 1.00 14.30 H new ATOM 0 HE3 LYS A 28 9.260 -5.882 14.798 1.00 14.30 H new ATOM 0 HZ1 LYS A 28 8.679 -7.618 16.362 1.00 1.02 H new ATOM 0 HZ2 LYS A 28 7.677 -7.711 14.994 1.00 1.02 H new ATOM 0 HZ3 LYS A 28 8.950 -8.817 15.190 1.00 1.02 H new ATOM 427 N GLN A 29 10.884 -1.829 11.305 1.00 54.00 N ATOM 428 CA GLN A 29 10.333 -0.503 11.056 1.00 31.22 C ATOM 429 C GLN A 29 10.939 0.111 9.797 1.00 50.15 C ATOM 430 O GLN A 29 10.290 0.895 9.104 1.00 72.44 O ATOM 431 CB GLN A 29 10.589 0.412 12.256 1.00 30.00 C ATOM 432 CG GLN A 29 9.696 0.111 13.449 1.00 61.43 C ATOM 433 CD GLN A 29 8.351 0.806 13.361 1.00 52.42 C ATOM 434 OE1 GLN A 29 7.761 0.908 12.286 1.00 3.31 O ATOM 435 NE2 GLN A 29 7.859 1.290 14.497 1.00 52.22 N ATOM 0 H GLN A 29 11.694 -1.840 11.925 1.00 54.00 H new ATOM 0 HA GLN A 29 9.258 -0.606 10.908 1.00 31.22 H new ATOM 0 HB2 GLN A 29 11.632 0.317 12.559 1.00 30.00 H new ATOM 0 HB3 GLN A 29 10.439 1.448 11.952 1.00 30.00 H new ATOM 0 HG2 GLN A 29 9.541 -0.966 13.519 1.00 61.43 H new ATOM 0 HG3 GLN A 29 10.202 0.420 14.364 1.00 61.43 H new ATOM 0 HE21 GLN A 29 8.382 1.183 15.366 1.00 52.22 H new ATOM 0 HE22 GLN A 29 6.958 1.768 14.500 1.00 52.22 H new ATOM 444 N ILE A 30 12.184 -0.251 9.509 1.00 2.02 N ATOM 445 CA ILE A 30 12.875 0.264 8.334 1.00 13.22 C ATOM 446 C ILE A 30 12.824 -0.737 7.183 1.00 11.13 C ATOM 447 O ILE A 30 13.665 -0.708 6.283 1.00 22.43 O ATOM 448 CB ILE A 30 14.347 0.595 8.646 1.00 43.52 C ATOM 449 CG1 ILE A 30 15.096 -0.668 9.075 1.00 24.21 C ATOM 450 CG2 ILE A 30 14.432 1.662 9.726 1.00 14.42 C ATOM 451 CD1 ILE A 30 15.949 -1.268 7.979 1.00 63.02 C ATOM 0 H ILE A 30 12.735 -0.899 10.073 1.00 2.02 H new ATOM 0 HA ILE A 30 12.360 1.179 8.041 1.00 13.22 H new ATOM 0 HB ILE A 30 14.817 0.983 7.742 1.00 43.52 H new ATOM 0 HG12 ILE A 30 15.730 -0.432 9.929 1.00 24.21 H new ATOM 0 HG13 ILE A 30 14.374 -1.412 9.410 1.00 24.21 H new ATOM 0 HG21 ILE A 30 15.478 1.885 9.935 1.00 14.42 H new ATOM 0 HG22 ILE A 30 13.929 2.567 9.384 1.00 14.42 H new ATOM 0 HG23 ILE A 30 13.949 1.300 10.634 1.00 14.42 H new ATOM 0 HD11 ILE A 30 16.450 -2.160 8.355 1.00 63.02 H new ATOM 0 HD12 ILE A 30 15.317 -1.536 7.132 1.00 63.02 H new ATOM 0 HD13 ILE A 30 16.695 -0.540 7.659 1.00 63.02 H new ATOM 463 N LEU A 31 11.832 -1.618 7.218 1.00 64.14 N ATOM 464 CA LEU A 31 11.668 -2.627 6.178 1.00 21.12 C ATOM 465 C LEU A 31 10.660 -2.169 5.128 1.00 14.43 C ATOM 466 O LEU A 31 9.814 -1.315 5.395 1.00 1.54 O ATOM 467 CB LEU A 31 11.214 -3.953 6.792 1.00 41.11 C ATOM 468 CG LEU A 31 11.830 -5.216 6.190 1.00 20.21 C ATOM 469 CD1 LEU A 31 11.976 -6.296 7.251 1.00 40.33 C ATOM 470 CD2 LEU A 31 10.985 -5.720 5.028 1.00 12.21 C ATOM 0 H LEU A 31 11.128 -1.655 7.956 1.00 64.14 H new ATOM 0 HA LEU A 31 12.633 -2.770 5.691 1.00 21.12 H new ATOM 0 HB2 LEU A 31 11.442 -3.934 7.858 1.00 41.11 H new ATOM 0 HB3 LEU A 31 10.130 -4.021 6.699 1.00 41.11 H new ATOM 0 HG LEU A 31 12.822 -4.969 5.812 1.00 20.21 H new ATOM 0 HD11 LEU A 31 12.416 -7.188 6.804 1.00 40.33 H new ATOM 0 HD12 LEU A 31 12.622 -5.935 8.052 1.00 40.33 H new ATOM 0 HD13 LEU A 31 10.995 -6.541 7.658 1.00 40.33 H new ATOM 0 HD21 LEU A 31 11.438 -6.620 4.612 1.00 12.21 H new ATOM 0 HD22 LEU A 31 9.980 -5.951 5.382 1.00 12.21 H new ATOM 0 HD23 LEU A 31 10.931 -4.951 4.257 1.00 12.21 H new ATOM 482 N SER A 32 10.755 -2.743 3.933 1.00 11.55 N ATOM 483 CA SER A 32 9.853 -2.393 2.842 1.00 52.24 C ATOM 484 C SER A 32 9.857 -3.474 1.765 1.00 35.45 C ATOM 485 O SER A 32 10.786 -4.275 1.678 1.00 30.51 O ATOM 486 CB SER A 32 10.254 -1.048 2.233 1.00 52.12 C ATOM 487 OG SER A 32 10.050 -1.042 0.831 1.00 54.11 O ATOM 0 H SER A 32 11.448 -3.453 3.696 1.00 11.55 H new ATOM 0 HA SER A 32 8.845 -2.314 3.248 1.00 52.24 H new ATOM 0 HB2 SER A 32 9.671 -0.249 2.692 1.00 52.12 H new ATOM 0 HB3 SER A 32 11.302 -0.844 2.452 1.00 52.12 H new ATOM 0 HG SER A 32 10.312 -0.171 0.466 1.00 54.11 H new ATOM 493 N GLY A 33 8.810 -3.488 0.946 1.00 1.31 N ATOM 494 CA GLY A 33 8.711 -4.474 -0.115 1.00 55.30 C ATOM 495 C GLY A 33 9.804 -4.319 -1.154 1.00 2.44 C ATOM 496 O GLY A 33 10.307 -5.307 -1.690 1.00 22.34 O ATOM 0 H GLY A 33 8.029 -2.834 0.998 1.00 1.31 H new ATOM 0 HA2 GLY A 33 8.763 -5.474 0.316 1.00 55.30 H new ATOM 0 HA3 GLY A 33 7.738 -4.386 -0.599 1.00 55.30 H new ATOM 500 N THR A 34 10.173 -3.074 -1.442 1.00 51.35 N ATOM 501 CA THR A 34 11.210 -2.793 -2.425 1.00 3.10 C ATOM 502 C THR A 34 12.567 -2.610 -1.756 1.00 64.01 C ATOM 503 O THR A 34 13.355 -1.751 -2.152 1.00 73.14 O ATOM 504 CB THR A 34 10.880 -1.530 -3.244 1.00 42.35 C ATOM 505 OG1 THR A 34 11.050 -0.362 -2.434 1.00 2.24 O ATOM 506 CG2 THR A 34 9.454 -1.585 -3.771 1.00 32.33 C ATOM 0 H THR A 34 9.768 -2.245 -1.007 1.00 51.35 H new ATOM 0 HA THR A 34 11.251 -3.652 -3.095 1.00 3.10 H new ATOM 0 HB THR A 34 11.563 -1.485 -4.092 1.00 42.35 H new ATOM 0 HG1 THR A 34 10.840 0.436 -2.963 1.00 2.24 H new ATOM 0 HG21 THR A 34 9.244 -0.683 -4.346 1.00 32.33 H new ATOM 0 HG22 THR A 34 9.336 -2.459 -4.411 1.00 32.33 H new ATOM 0 HG23 THR A 34 8.759 -1.652 -2.934 1.00 32.33 H new ATOM 514 N THR A 35 12.835 -3.424 -0.740 1.00 44.01 N ATOM 515 CA THR A 35 14.097 -3.352 -0.016 1.00 42.43 C ATOM 516 C THR A 35 14.840 -4.682 -0.070 1.00 0.31 C ATOM 517 O THR A 35 14.458 -5.644 0.594 1.00 42.14 O ATOM 518 CB THR A 35 13.878 -2.959 1.458 1.00 23.32 C ATOM 519 OG1 THR A 35 13.253 -1.673 1.534 1.00 14.23 O ATOM 520 CG2 THR A 35 15.198 -2.933 2.214 1.00 52.31 C ATOM 0 H THR A 35 12.194 -4.141 -0.400 1.00 44.01 H new ATOM 0 HA THR A 35 14.697 -2.584 -0.504 1.00 42.43 H new ATOM 0 HB THR A 35 13.230 -3.705 1.917 1.00 23.32 H new ATOM 0 HG1 THR A 35 13.530 -1.223 2.359 1.00 14.23 H new ATOM 0 HG21 THR A 35 15.017 -2.653 3.252 1.00 52.31 H new ATOM 0 HG22 THR A 35 15.657 -3.921 2.179 1.00 52.31 H new ATOM 0 HG23 THR A 35 15.867 -2.206 1.753 1.00 52.31 H new ATOM 528 N ASN A 36 15.904 -4.728 -0.865 1.00 22.34 N ATOM 529 CA ASN A 36 16.700 -5.942 -1.006 1.00 3.42 C ATOM 530 C ASN A 36 17.198 -6.426 0.353 1.00 24.22 C ATOM 531 O ASN A 36 18.145 -5.872 0.913 1.00 54.35 O ATOM 532 CB ASN A 36 17.889 -5.692 -1.937 1.00 23.01 C ATOM 533 CG ASN A 36 18.591 -6.975 -2.335 1.00 71.14 C ATOM 534 OD1 ASN A 36 18.303 -8.046 -1.799 1.00 42.21 O ATOM 535 ND2 ASN A 36 19.519 -6.872 -3.279 1.00 21.54 N ATOM 0 H ASN A 36 16.235 -3.939 -1.421 1.00 22.34 H new ATOM 0 HA ASN A 36 16.065 -6.715 -1.438 1.00 3.42 H new ATOM 0 HB2 ASN A 36 17.543 -5.177 -2.833 1.00 23.01 H new ATOM 0 HB3 ASN A 36 18.600 -5.030 -1.444 1.00 23.01 H new ATOM 0 HD21 ASN A 36 20.026 -7.701 -3.588 1.00 21.54 H new ATOM 0 HD22 ASN A 36 19.725 -5.964 -3.695 1.00 21.54 H new ATOM 542 N LEU A 37 16.555 -7.463 0.876 1.00 42.04 N ATOM 543 CA LEU A 37 16.932 -8.024 2.169 1.00 41.12 C ATOM 544 C LEU A 37 18.319 -8.655 2.105 1.00 34.43 C ATOM 545 O LEU A 37 18.921 -8.959 3.135 1.00 41.43 O ATOM 546 CB LEU A 37 15.906 -9.068 2.613 1.00 32.32 C ATOM 547 CG LEU A 37 14.436 -8.674 2.453 1.00 23.33 C ATOM 548 CD1 LEU A 37 13.529 -9.834 2.833 1.00 44.55 C ATOM 549 CD2 LEU A 37 14.117 -7.448 3.296 1.00 73.30 C ATOM 0 H LEU A 37 15.770 -7.933 0.425 1.00 42.04 H new ATOM 0 HA LEU A 37 16.954 -7.212 2.896 1.00 41.12 H new ATOM 0 HB2 LEU A 37 16.080 -9.983 2.047 1.00 32.32 H new ATOM 0 HB3 LEU A 37 16.087 -9.303 3.662 1.00 32.32 H new ATOM 0 HG LEU A 37 14.258 -8.427 1.406 1.00 23.33 H new ATOM 0 HD11 LEU A 37 12.487 -9.536 2.713 1.00 44.55 H new ATOM 0 HD12 LEU A 37 13.739 -10.687 2.187 1.00 44.55 H new ATOM 0 HD13 LEU A 37 13.710 -10.112 3.871 1.00 44.55 H new ATOM 0 HD21 LEU A 37 13.067 -7.183 3.170 1.00 73.30 H new ATOM 0 HD22 LEU A 37 14.312 -7.668 4.346 1.00 73.30 H new ATOM 0 HD23 LEU A 37 14.743 -6.614 2.977 1.00 73.30 H new ATOM 561 N ALA A 38 18.822 -8.846 0.890 1.00 11.43 N ATOM 562 CA ALA A 38 20.140 -9.436 0.693 1.00 64.01 C ATOM 563 C ALA A 38 21.241 -8.396 0.879 1.00 74.52 C ATOM 564 O ALA A 38 22.213 -8.629 1.596 1.00 11.43 O ATOM 565 CB ALA A 38 20.235 -10.065 -0.689 1.00 72.25 C ATOM 0 H ALA A 38 18.336 -8.601 0.027 1.00 11.43 H new ATOM 0 HA ALA A 38 20.279 -10.213 1.445 1.00 64.01 H new ATOM 0 HB1 ALA A 38 21.225 -10.502 -0.823 1.00 72.25 H new ATOM 0 HB2 ALA A 38 19.478 -10.843 -0.787 1.00 72.25 H new ATOM 0 HB3 ALA A 38 20.070 -9.301 -1.449 1.00 72.25 H new ATOM 571 N LYS A 39 21.080 -7.249 0.228 1.00 24.43 N ATOM 572 CA LYS A 39 22.059 -6.173 0.323 1.00 74.40 C ATOM 573 C LYS A 39 21.799 -5.308 1.552 1.00 20.11 C ATOM 574 O LYS A 39 22.705 -5.054 2.346 1.00 33.41 O ATOM 575 CB LYS A 39 22.020 -5.308 -0.940 1.00 32.01 C ATOM 576 CG LYS A 39 23.359 -4.681 -1.289 1.00 13.31 C ATOM 577 CD LYS A 39 24.249 -5.652 -2.047 1.00 0.14 C ATOM 578 CE LYS A 39 23.839 -5.759 -3.508 1.00 0.24 C ATOM 579 NZ LYS A 39 24.942 -6.289 -4.356 1.00 32.20 N ATOM 0 H LYS A 39 20.281 -7.041 -0.371 1.00 24.43 H new ATOM 0 HA LYS A 39 23.048 -6.622 0.419 1.00 74.40 H new ATOM 0 HB2 LYS A 39 21.685 -5.919 -1.778 1.00 32.01 H new ATOM 0 HB3 LYS A 39 21.282 -4.517 -0.806 1.00 32.01 H new ATOM 0 HG2 LYS A 39 23.197 -3.788 -1.892 1.00 13.31 H new ATOM 0 HG3 LYS A 39 23.862 -4.362 -0.376 1.00 13.31 H new ATOM 0 HD2 LYS A 39 25.286 -5.323 -1.982 1.00 0.14 H new ATOM 0 HD3 LYS A 39 24.197 -6.636 -1.580 1.00 0.14 H new ATOM 0 HE2 LYS A 39 22.969 -6.410 -3.594 1.00 0.24 H new ATOM 0 HE3 LYS A 39 23.539 -4.777 -3.874 1.00 0.24 H new ATOM 0 HZ1 LYS A 39 24.623 -6.347 -5.344 1.00 32.20 H new ATOM 0 HZ2 LYS A 39 25.763 -5.654 -4.294 1.00 32.20 H new ATOM 0 HZ3 LYS A 39 25.211 -7.237 -4.023 1.00 32.20 H new ATOM 593 N ASP A 40 20.558 -4.858 1.703 1.00 63.34 N ATOM 594 CA ASP A 40 20.180 -4.023 2.837 1.00 12.34 C ATOM 595 C ASP A 40 20.643 -4.647 4.150 1.00 41.35 C ATOM 596 O ASP A 40 21.489 -4.090 4.850 1.00 11.14 O ATOM 597 CB ASP A 40 18.664 -3.818 2.862 1.00 60.32 C ATOM 598 CG ASP A 40 18.266 -2.537 3.568 1.00 10.42 C ATOM 599 OD1 ASP A 40 18.623 -1.450 3.070 1.00 43.03 O ATOM 600 OD2 ASP A 40 17.597 -2.622 4.620 1.00 22.23 O ATOM 0 H ASP A 40 19.797 -5.058 1.054 1.00 63.34 H new ATOM 0 HA ASP A 40 20.669 -3.055 2.724 1.00 12.34 H new ATOM 0 HB2 ASP A 40 18.286 -3.799 1.840 1.00 60.32 H new ATOM 0 HB3 ASP A 40 18.194 -4.666 3.360 1.00 60.32 H new ATOM 605 N PHE A 41 20.084 -5.807 4.477 1.00 51.23 N ATOM 606 CA PHE A 41 20.438 -6.506 5.707 1.00 55.34 C ATOM 607 C PHE A 41 21.764 -7.245 5.550 1.00 13.42 C ATOM 608 O PHE A 41 22.262 -7.856 6.495 1.00 4.32 O ATOM 609 CB PHE A 41 19.334 -7.493 6.094 1.00 32.53 C ATOM 610 CG PHE A 41 18.042 -6.828 6.473 1.00 72.32 C ATOM 611 CD1 PHE A 41 18.022 -5.809 7.413 1.00 12.33 C ATOM 612 CD2 PHE A 41 16.849 -7.221 5.891 1.00 73.13 C ATOM 613 CE1 PHE A 41 16.834 -5.197 7.763 1.00 51.15 C ATOM 614 CE2 PHE A 41 15.657 -6.612 6.238 1.00 63.51 C ATOM 615 CZ PHE A 41 15.651 -5.598 7.175 1.00 32.44 C ATOM 0 H PHE A 41 19.384 -6.283 3.908 1.00 51.23 H new ATOM 0 HA PHE A 41 20.547 -5.764 6.498 1.00 55.34 H new ATOM 0 HB2 PHE A 41 19.154 -8.170 5.259 1.00 32.53 H new ATOM 0 HB3 PHE A 41 19.679 -8.102 6.930 1.00 32.53 H new ATOM 0 HD1 PHE A 41 18.944 -5.491 7.876 1.00 12.33 H new ATOM 0 HD2 PHE A 41 16.849 -8.013 5.157 1.00 73.13 H new ATOM 0 HE1 PHE A 41 16.831 -4.405 8.497 1.00 51.15 H new ATOM 0 HE2 PHE A 41 14.733 -6.929 5.777 1.00 63.51 H new ATOM 0 HZ PHE A 41 14.722 -5.119 7.448 1.00 32.44 H new ATOM 625 N ASN A 42 22.330 -7.185 4.349 1.00 62.01 N ATOM 626 CA ASN A 42 23.597 -7.848 4.067 1.00 43.41 C ATOM 627 C ASN A 42 23.530 -9.328 4.432 1.00 32.20 C ATOM 628 O ASN A 42 24.498 -9.899 4.936 1.00 14.03 O ATOM 629 CB ASN A 42 24.734 -7.172 4.837 1.00 74.50 C ATOM 630 CG ASN A 42 25.371 -6.041 4.053 1.00 43.04 C ATOM 631 OD1 ASN A 42 25.106 -4.867 4.310 1.00 64.32 O ATOM 632 ND2 ASN A 42 26.217 -6.392 3.091 1.00 71.31 N ATOM 0 H ASN A 42 21.931 -6.684 3.555 1.00 62.01 H new ATOM 0 HA ASN A 42 23.792 -7.764 2.998 1.00 43.41 H new ATOM 0 HB2 ASN A 42 24.350 -6.785 5.781 1.00 74.50 H new ATOM 0 HB3 ASN A 42 25.494 -7.914 5.082 1.00 74.50 H new ATOM 0 HD21 ASN A 42 26.677 -5.675 2.530 1.00 71.31 H new ATOM 0 HD22 ASN A 42 26.407 -7.378 2.913 1.00 71.31 H new ATOM 639 N LEU A 43 22.381 -9.943 4.174 1.00 0.14 N ATOM 640 CA LEU A 43 22.187 -11.357 4.475 1.00 4.12 C ATOM 641 C LEU A 43 23.314 -12.199 3.887 1.00 55.50 C ATOM 642 O LEU A 43 23.826 -11.902 2.808 1.00 12.51 O ATOM 643 CB LEU A 43 20.840 -11.834 3.928 1.00 2.23 C ATOM 644 CG LEU A 43 19.604 -11.406 4.720 1.00 32.43 C ATOM 645 CD1 LEU A 43 18.334 -11.782 3.972 1.00 22.23 C ATOM 646 CD2 LEU A 43 19.614 -12.033 6.106 1.00 61.35 C ATOM 0 H LEU A 43 21.570 -9.485 3.757 1.00 0.14 H new ATOM 0 HA LEU A 43 22.196 -11.477 5.558 1.00 4.12 H new ATOM 0 HB2 LEU A 43 20.736 -11.470 2.906 1.00 2.23 H new ATOM 0 HB3 LEU A 43 20.856 -12.923 3.878 1.00 2.23 H new ATOM 0 HG LEU A 43 19.627 -10.322 4.834 1.00 32.43 H new ATOM 0 HD11 LEU A 43 17.465 -11.470 4.551 1.00 22.23 H new ATOM 0 HD12 LEU A 43 18.322 -11.284 3.002 1.00 22.23 H new ATOM 0 HD13 LEU A 43 18.304 -12.862 3.826 1.00 22.23 H new ATOM 0 HD21 LEU A 43 18.727 -11.717 6.655 1.00 61.35 H new ATOM 0 HD22 LEU A 43 19.616 -13.119 6.014 1.00 61.35 H new ATOM 0 HD23 LEU A 43 20.506 -11.713 6.644 1.00 61.35 H new ATOM 658 N ASP A 44 23.694 -13.252 4.603 1.00 13.11 N ATOM 659 CA ASP A 44 24.759 -14.140 4.150 1.00 72.53 C ATOM 660 C ASP A 44 24.220 -15.181 3.175 1.00 75.24 C ATOM 661 O ASP A 44 23.032 -15.499 3.184 1.00 40.44 O ATOM 662 CB ASP A 44 25.415 -14.834 5.345 1.00 51.15 C ATOM 663 CG ASP A 44 26.753 -15.453 4.992 1.00 21.20 C ATOM 664 OD1 ASP A 44 27.393 -14.975 4.033 1.00 63.34 O ATOM 665 OD2 ASP A 44 27.159 -16.418 5.675 1.00 30.42 O ATOM 0 H ASP A 44 23.281 -13.511 5.499 1.00 13.11 H new ATOM 0 HA ASP A 44 25.506 -13.538 3.634 1.00 72.53 H new ATOM 0 HB2 ASP A 44 25.553 -14.112 6.150 1.00 51.15 H new ATOM 0 HB3 ASP A 44 24.748 -15.609 5.723 1.00 51.15 H new ATOM 670 N SER A 45 25.104 -15.708 2.332 1.00 65.32 N ATOM 671 CA SER A 45 24.717 -16.710 1.347 1.00 60.12 C ATOM 672 C SER A 45 24.020 -17.890 2.016 1.00 31.24 C ATOM 673 O SER A 45 23.213 -18.583 1.395 1.00 40.22 O ATOM 674 CB SER A 45 25.945 -17.199 0.575 1.00 63.42 C ATOM 675 OG SER A 45 25.577 -17.730 -0.686 1.00 12.42 O ATOM 0 H SER A 45 26.092 -15.457 2.312 1.00 65.32 H new ATOM 0 HA SER A 45 24.019 -16.246 0.650 1.00 60.12 H new ATOM 0 HB2 SER A 45 26.643 -16.374 0.436 1.00 63.42 H new ATOM 0 HB3 SER A 45 26.464 -17.961 1.156 1.00 63.42 H new ATOM 0 HG SER A 45 26.379 -18.034 -1.160 1.00 12.42 H new ATOM 681 N LEU A 46 24.338 -18.113 3.287 1.00 71.33 N ATOM 682 CA LEU A 46 23.742 -19.210 4.043 1.00 25.25 C ATOM 683 C LEU A 46 22.288 -18.906 4.390 1.00 62.14 C ATOM 684 O LEU A 46 21.403 -19.735 4.178 1.00 62.33 O ATOM 685 CB LEU A 46 24.541 -19.466 5.322 1.00 13.24 C ATOM 686 CG LEU A 46 25.736 -20.411 5.189 1.00 31.11 C ATOM 687 CD1 LEU A 46 25.265 -21.833 4.925 1.00 42.14 C ATOM 688 CD2 LEU A 46 26.667 -19.941 4.082 1.00 75.23 C ATOM 0 H LEU A 46 25.004 -17.550 3.815 1.00 71.33 H new ATOM 0 HA LEU A 46 23.768 -20.104 3.420 1.00 25.25 H new ATOM 0 HB2 LEU A 46 24.901 -18.509 5.700 1.00 13.24 H new ATOM 0 HB3 LEU A 46 23.864 -19.872 6.074 1.00 13.24 H new ATOM 0 HG LEU A 46 26.288 -20.402 6.129 1.00 31.11 H new ATOM 0 HD11 LEU A 46 26.129 -22.491 4.833 1.00 42.14 H new ATOM 0 HD12 LEU A 46 24.639 -22.169 5.752 1.00 42.14 H new ATOM 0 HD13 LEU A 46 24.689 -21.860 4.000 1.00 42.14 H new ATOM 0 HD21 LEU A 46 27.512 -20.625 4.002 1.00 75.23 H new ATOM 0 HD22 LEU A 46 26.126 -19.920 3.136 1.00 75.23 H new ATOM 0 HD23 LEU A 46 27.032 -18.940 4.314 1.00 75.23 H new ATOM 700 N ASP A 47 22.049 -17.712 4.922 1.00 2.12 N ATOM 701 CA ASP A 47 20.703 -17.297 5.295 1.00 55.22 C ATOM 702 C ASP A 47 19.757 -17.382 4.101 1.00 62.23 C ATOM 703 O ASP A 47 18.665 -17.942 4.199 1.00 64.30 O ATOM 704 CB ASP A 47 20.720 -15.871 5.848 1.00 35.55 C ATOM 705 CG ASP A 47 20.239 -15.800 7.284 1.00 1.24 C ATOM 706 OD1 ASP A 47 20.877 -16.428 8.155 1.00 22.24 O ATOM 707 OD2 ASP A 47 19.225 -15.118 7.537 1.00 73.34 O ATOM 0 H ASP A 47 22.771 -17.015 5.104 1.00 2.12 H new ATOM 0 HA ASP A 47 20.343 -17.974 6.070 1.00 55.22 H new ATOM 0 HB2 ASP A 47 21.733 -15.473 5.787 1.00 35.55 H new ATOM 0 HB3 ASP A 47 20.090 -15.236 5.225 1.00 35.55 H new ATOM 712 N PHE A 48 20.184 -16.821 2.975 1.00 64.30 N ATOM 713 CA PHE A 48 19.375 -16.832 1.762 1.00 64.44 C ATOM 714 C PHE A 48 18.954 -18.254 1.399 1.00 11.41 C ATOM 715 O PHE A 48 17.807 -18.497 1.027 1.00 74.22 O ATOM 716 CB PHE A 48 20.151 -16.206 0.600 1.00 22.22 C ATOM 717 CG PHE A 48 19.269 -15.690 -0.501 1.00 52.44 C ATOM 718 CD1 PHE A 48 18.735 -14.413 -0.436 1.00 63.45 C ATOM 719 CD2 PHE A 48 18.974 -16.480 -1.599 1.00 12.05 C ATOM 720 CE1 PHE A 48 17.924 -13.933 -1.447 1.00 14.24 C ATOM 721 CE2 PHE A 48 18.164 -16.007 -2.614 1.00 10.41 C ATOM 722 CZ PHE A 48 17.637 -14.732 -2.537 1.00 43.02 C ATOM 0 H PHE A 48 21.085 -16.353 2.877 1.00 64.30 H new ATOM 0 HA PHE A 48 18.477 -16.244 1.950 1.00 64.44 H new ATOM 0 HB2 PHE A 48 20.761 -15.386 0.980 1.00 22.22 H new ATOM 0 HB3 PHE A 48 20.835 -16.948 0.189 1.00 22.22 H new ATOM 0 HD1 PHE A 48 18.955 -13.785 0.415 1.00 63.45 H new ATOM 0 HD2 PHE A 48 19.382 -17.478 -1.663 1.00 12.05 H new ATOM 0 HE1 PHE A 48 17.515 -12.935 -1.385 1.00 14.24 H new ATOM 0 HE2 PHE A 48 17.943 -16.633 -3.466 1.00 10.41 H new ATOM 0 HZ PHE A 48 17.002 -14.361 -3.328 1.00 43.02 H new ATOM 732 N VAL A 49 19.892 -19.188 1.513 1.00 31.14 N ATOM 733 CA VAL A 49 19.621 -20.586 1.199 1.00 4.02 C ATOM 734 C VAL A 49 18.473 -21.126 2.045 1.00 75.11 C ATOM 735 O VAL A 49 17.498 -21.662 1.518 1.00 13.45 O ATOM 736 CB VAL A 49 20.866 -21.465 1.422 1.00 23.20 C ATOM 737 CG1 VAL A 49 20.527 -22.933 1.219 1.00 42.05 C ATOM 738 CG2 VAL A 49 21.992 -21.036 0.495 1.00 40.22 C ATOM 0 H VAL A 49 20.847 -19.002 1.821 1.00 31.14 H new ATOM 0 HA VAL A 49 19.343 -20.625 0.146 1.00 4.02 H new ATOM 0 HB VAL A 49 21.203 -21.334 2.450 1.00 23.20 H new ATOM 0 HG11 VAL A 49 21.419 -23.538 1.381 1.00 42.05 H new ATOM 0 HG12 VAL A 49 19.754 -23.229 1.928 1.00 42.05 H new ATOM 0 HG13 VAL A 49 20.165 -23.086 0.202 1.00 42.05 H new ATOM 0 HG21 VAL A 49 22.864 -21.667 0.666 1.00 40.22 H new ATOM 0 HG22 VAL A 49 21.668 -21.136 -0.541 1.00 40.22 H new ATOM 0 HG23 VAL A 49 22.252 -19.996 0.695 1.00 40.22 H new ATOM 748 N ASP A 50 18.595 -20.981 3.360 1.00 22.50 N ATOM 749 CA ASP A 50 17.568 -21.453 4.281 1.00 13.12 C ATOM 750 C ASP A 50 16.248 -20.727 4.040 1.00 71.13 C ATOM 751 O ASP A 50 15.173 -21.274 4.285 1.00 54.43 O ATOM 752 CB ASP A 50 18.018 -21.250 5.728 1.00 0.42 C ATOM 753 CG ASP A 50 19.232 -22.088 6.079 1.00 65.22 C ATOM 754 OD1 ASP A 50 19.196 -23.315 5.846 1.00 60.22 O ATOM 755 OD2 ASP A 50 20.221 -21.516 6.586 1.00 24.13 O ATOM 0 H ASP A 50 19.396 -20.540 3.812 1.00 22.50 H new ATOM 0 HA ASP A 50 17.416 -22.517 4.102 1.00 13.12 H new ATOM 0 HB2 ASP A 50 18.248 -20.197 5.890 1.00 0.42 H new ATOM 0 HB3 ASP A 50 17.198 -21.504 6.400 1.00 0.42 H new ATOM 760 N LEU A 51 16.337 -19.491 3.560 1.00 21.14 N ATOM 761 CA LEU A 51 15.149 -18.690 3.287 1.00 73.32 C ATOM 762 C LEU A 51 14.334 -19.295 2.150 1.00 12.04 C ATOM 763 O LEU A 51 13.160 -19.626 2.322 1.00 41.05 O ATOM 764 CB LEU A 51 15.549 -17.255 2.936 1.00 42.44 C ATOM 765 CG LEU A 51 15.593 -16.266 4.101 1.00 31.31 C ATOM 766 CD1 LEU A 51 16.270 -14.972 3.678 1.00 12.25 C ATOM 767 CD2 LEU A 51 14.190 -15.990 4.620 1.00 62.45 C ATOM 0 H LEU A 51 17.219 -19.022 3.352 1.00 21.14 H new ATOM 0 HA LEU A 51 14.532 -18.680 4.186 1.00 73.32 H new ATOM 0 HB2 LEU A 51 16.533 -17.278 2.468 1.00 42.44 H new ATOM 0 HB3 LEU A 51 14.850 -16.876 2.190 1.00 42.44 H new ATOM 0 HG LEU A 51 16.176 -16.711 4.907 1.00 31.31 H new ATOM 0 HD11 LEU A 51 16.292 -14.281 4.520 1.00 12.25 H new ATOM 0 HD12 LEU A 51 17.290 -15.183 3.355 1.00 12.25 H new ATOM 0 HD13 LEU A 51 15.715 -14.523 2.855 1.00 12.25 H new ATOM 0 HD21 LEU A 51 14.241 -15.284 5.449 1.00 62.45 H new ATOM 0 HD22 LEU A 51 13.583 -15.567 3.820 1.00 62.45 H new ATOM 0 HD23 LEU A 51 13.739 -16.921 4.964 1.00 62.45 H new ATOM 779 N ILE A 52 14.962 -19.439 0.988 1.00 42.41 N ATOM 780 CA ILE A 52 14.296 -20.007 -0.177 1.00 64.52 C ATOM 781 C ILE A 52 13.852 -21.443 0.090 1.00 62.04 C ATOM 782 O ILE A 52 12.777 -21.860 -0.337 1.00 73.21 O ATOM 783 CB ILE A 52 15.209 -19.987 -1.416 1.00 52.01 C ATOM 784 CG1 ILE A 52 16.526 -20.707 -1.117 1.00 60.25 C ATOM 785 CG2 ILE A 52 15.471 -18.554 -1.857 1.00 40.14 C ATOM 786 CD1 ILE A 52 17.532 -20.620 -2.245 1.00 45.42 C ATOM 0 H ILE A 52 15.933 -19.170 0.828 1.00 42.41 H new ATOM 0 HA ILE A 52 13.421 -19.387 -0.372 1.00 64.52 H new ATOM 0 HB ILE A 52 14.706 -20.511 -2.229 1.00 52.01 H new ATOM 0 HG12 ILE A 52 16.966 -20.282 -0.215 1.00 60.25 H new ATOM 0 HG13 ILE A 52 16.318 -21.756 -0.907 1.00 60.25 H new ATOM 0 HG21 ILE A 52 16.118 -18.556 -2.734 1.00 40.14 H new ATOM 0 HG22 ILE A 52 14.526 -18.071 -2.104 1.00 40.14 H new ATOM 0 HG23 ILE A 52 15.957 -18.008 -1.049 1.00 40.14 H new ATOM 0 HD11 ILE A 52 18.441 -21.152 -1.964 1.00 45.42 H new ATOM 0 HD12 ILE A 52 17.111 -21.071 -3.144 1.00 45.42 H new ATOM 0 HD13 ILE A 52 17.770 -19.574 -2.441 1.00 45.42 H new ATOM 798 N MET A 53 14.690 -22.192 0.800 1.00 51.11 N ATOM 799 CA MET A 53 14.383 -23.580 1.127 1.00 32.40 C ATOM 800 C MET A 53 13.213 -23.663 2.101 1.00 13.42 C ATOM 801 O MET A 53 12.334 -24.513 1.959 1.00 74.24 O ATOM 802 CB MET A 53 15.611 -24.269 1.726 1.00 44.13 C ATOM 803 CG MET A 53 16.696 -24.571 0.706 1.00 25.10 C ATOM 804 SD MET A 53 17.371 -26.234 0.884 1.00 72.30 S ATOM 805 CE MET A 53 15.915 -27.227 0.566 1.00 3.12 C ATOM 0 H MET A 53 15.586 -21.862 1.159 1.00 51.11 H new ATOM 0 HA MET A 53 14.102 -24.091 0.206 1.00 32.40 H new ATOM 0 HB2 MET A 53 16.027 -23.636 2.510 1.00 44.13 H new ATOM 0 HB3 MET A 53 15.300 -25.200 2.200 1.00 44.13 H new ATOM 0 HG2 MET A 53 16.288 -24.454 -0.298 1.00 25.10 H new ATOM 0 HG3 MET A 53 17.501 -23.843 0.810 1.00 25.10 H new ATOM 0 HE1 MET A 53 16.215 -28.190 0.153 1.00 3.12 H new ATOM 0 HE2 MET A 53 15.371 -27.384 1.498 1.00 3.12 H new ATOM 0 HE3 MET A 53 15.272 -26.711 -0.147 1.00 3.12 H new ATOM 815 N SER A 54 13.207 -22.776 3.090 1.00 2.33 N ATOM 816 CA SER A 54 12.146 -22.752 4.090 1.00 62.54 C ATOM 817 C SER A 54 10.793 -22.475 3.441 1.00 44.30 C ATOM 818 O SER A 54 9.836 -23.227 3.629 1.00 20.01 O ATOM 819 CB SER A 54 12.442 -21.691 5.152 1.00 71.54 C ATOM 820 OG SER A 54 11.264 -21.326 5.851 1.00 73.12 O ATOM 0 H SER A 54 13.925 -22.064 3.221 1.00 2.33 H new ATOM 0 HA SER A 54 12.107 -23.732 4.566 1.00 62.54 H new ATOM 0 HB2 SER A 54 13.182 -22.073 5.855 1.00 71.54 H new ATOM 0 HB3 SER A 54 12.876 -20.810 4.679 1.00 71.54 H new ATOM 0 HG SER A 54 11.308 -20.377 6.093 1.00 73.12 H new ATOM 826 N LEU A 55 10.723 -21.392 2.676 1.00 14.25 N ATOM 827 CA LEU A 55 9.487 -21.014 1.997 1.00 10.24 C ATOM 828 C LEU A 55 9.098 -22.055 0.954 1.00 75.25 C ATOM 829 O LEU A 55 7.919 -22.350 0.767 1.00 71.11 O ATOM 830 CB LEU A 55 9.645 -19.645 1.333 1.00 41.14 C ATOM 831 CG LEU A 55 9.245 -18.437 2.181 1.00 21.31 C ATOM 832 CD1 LEU A 55 9.680 -17.145 1.509 1.00 72.20 C ATOM 833 CD2 LEU A 55 7.744 -18.432 2.429 1.00 42.13 C ATOM 0 H LEU A 55 11.506 -20.760 2.510 1.00 14.25 H new ATOM 0 HA LEU A 55 8.694 -20.960 2.743 1.00 10.24 H new ATOM 0 HB2 LEU A 55 10.687 -19.526 1.036 1.00 41.14 H new ATOM 0 HB3 LEU A 55 9.050 -19.636 0.420 1.00 41.14 H new ATOM 0 HG LEU A 55 9.752 -18.510 3.143 1.00 21.31 H new ATOM 0 HD11 LEU A 55 9.387 -16.297 2.127 1.00 72.20 H new ATOM 0 HD12 LEU A 55 10.763 -17.146 1.385 1.00 72.20 H new ATOM 0 HD13 LEU A 55 9.203 -17.064 0.532 1.00 72.20 H new ATOM 0 HD21 LEU A 55 7.478 -17.565 3.034 1.00 42.13 H new ATOM 0 HD22 LEU A 55 7.218 -18.384 1.476 1.00 42.13 H new ATOM 0 HD23 LEU A 55 7.459 -19.343 2.955 1.00 42.13 H new ATOM 845 N GLU A 56 10.099 -22.612 0.278 1.00 54.04 N ATOM 846 CA GLU A 56 9.861 -23.623 -0.745 1.00 2.32 C ATOM 847 C GLU A 56 9.113 -24.819 -0.164 1.00 62.44 C ATOM 848 O GLU A 56 8.088 -25.241 -0.698 1.00 54.25 O ATOM 849 CB GLU A 56 11.187 -24.083 -1.356 1.00 1.43 C ATOM 850 CG GLU A 56 11.024 -25.145 -2.431 1.00 42.31 C ATOM 851 CD GLU A 56 12.312 -25.896 -2.709 1.00 5.51 C ATOM 852 OE1 GLU A 56 13.383 -25.410 -2.287 1.00 14.34 O ATOM 853 OE2 GLU A 56 12.250 -26.967 -3.347 1.00 62.11 O ATOM 0 H GLU A 56 11.082 -22.380 0.421 1.00 54.04 H new ATOM 0 HA GLU A 56 9.245 -23.176 -1.526 1.00 2.32 H new ATOM 0 HB2 GLU A 56 11.699 -23.221 -1.783 1.00 1.43 H new ATOM 0 HB3 GLU A 56 11.826 -24.474 -0.564 1.00 1.43 H new ATOM 0 HG2 GLU A 56 10.254 -25.853 -2.124 1.00 42.31 H new ATOM 0 HG3 GLU A 56 10.676 -24.675 -3.351 1.00 42.31 H new ATOM 860 N GLU A 57 9.635 -25.361 0.932 1.00 54.50 N ATOM 861 CA GLU A 57 9.018 -26.510 1.584 1.00 24.33 C ATOM 862 C GLU A 57 7.721 -26.107 2.282 1.00 63.24 C ATOM 863 O GLU A 57 6.798 -26.911 2.409 1.00 51.32 O ATOM 864 CB GLU A 57 9.984 -27.129 2.597 1.00 70.42 C ATOM 865 CG GLU A 57 10.231 -26.256 3.815 1.00 45.51 C ATOM 866 CD GLU A 57 11.083 -26.945 4.863 1.00 41.40 C ATOM 867 OE1 GLU A 57 10.545 -27.797 5.600 1.00 54.52 O ATOM 868 OE2 GLU A 57 12.289 -26.632 4.946 1.00 54.44 O ATOM 0 H GLU A 57 10.483 -25.023 1.387 1.00 54.50 H new ATOM 0 HA GLU A 57 8.784 -27.249 0.817 1.00 24.33 H new ATOM 0 HB2 GLU A 57 9.587 -28.090 2.924 1.00 70.42 H new ATOM 0 HB3 GLU A 57 10.936 -27.328 2.104 1.00 70.42 H new ATOM 0 HG2 GLU A 57 10.721 -25.334 3.503 1.00 45.51 H new ATOM 0 HG3 GLU A 57 9.275 -25.976 4.256 1.00 45.51 H new ATOM 875 N ARG A 58 7.662 -24.858 2.732 1.00 53.32 N ATOM 876 CA ARG A 58 6.481 -24.349 3.418 1.00 13.33 C ATOM 877 C ARG A 58 5.254 -24.418 2.513 1.00 74.53 C ATOM 878 O ARG A 58 4.267 -25.079 2.837 1.00 31.54 O ATOM 879 CB ARG A 58 6.712 -22.907 3.875 1.00 54.15 C ATOM 880 CG ARG A 58 5.532 -22.309 4.622 1.00 74.42 C ATOM 881 CD ARG A 58 5.736 -22.373 6.128 1.00 52.45 C ATOM 882 NE ARG A 58 4.511 -22.743 6.832 1.00 53.44 N ATOM 883 CZ ARG A 58 4.399 -22.754 8.156 1.00 23.30 C ATOM 884 NH1 ARG A 58 5.432 -22.415 8.914 1.00 42.21 N ATOM 885 NH2 ARG A 58 3.251 -23.103 8.722 1.00 23.43 N ATOM 0 H ARG A 58 8.418 -24.180 2.634 1.00 53.32 H new ATOM 0 HA ARG A 58 6.301 -24.975 4.292 1.00 13.33 H new ATOM 0 HB2 ARG A 58 7.592 -22.875 4.517 1.00 54.15 H new ATOM 0 HB3 ARG A 58 6.931 -22.289 3.004 1.00 54.15 H new ATOM 0 HG2 ARG A 58 5.394 -21.272 4.316 1.00 74.42 H new ATOM 0 HG3 ARG A 58 4.621 -22.844 4.354 1.00 74.42 H new ATOM 0 HD2 ARG A 58 6.518 -23.097 6.357 1.00 52.45 H new ATOM 0 HD3 ARG A 58 6.082 -21.404 6.488 1.00 52.45 H new ATOM 0 HE ARG A 58 3.697 -23.007 6.277 1.00 53.44 H new ATOM 0 HH11 ARG A 58 6.315 -22.145 8.481 1.00 42.21 H new ATOM 0 HH12 ARG A 58 5.344 -22.424 9.930 1.00 42.21 H new ATOM 0 HH21 ARG A 58 2.454 -23.363 8.141 1.00 23.43 H new ATOM 0 HH22 ARG A 58 3.165 -23.111 9.738 1.00 23.43 H new ATOM 899 N PHE A 59 5.324 -23.731 1.378 1.00 13.35 N ATOM 900 CA PHE A 59 4.220 -23.712 0.426 1.00 45.43 C ATOM 901 C PHE A 59 4.391 -24.803 -0.627 1.00 63.14 C ATOM 902 O PHE A 59 3.681 -24.827 -1.632 1.00 53.21 O ATOM 903 CB PHE A 59 4.125 -22.343 -0.252 1.00 45.14 C ATOM 904 CG PHE A 59 3.643 -21.254 0.663 1.00 12.43 C ATOM 905 CD1 PHE A 59 4.534 -20.559 1.465 1.00 75.51 C ATOM 906 CD2 PHE A 59 2.299 -20.925 0.721 1.00 71.35 C ATOM 907 CE1 PHE A 59 4.094 -19.556 2.307 1.00 32.52 C ATOM 908 CE2 PHE A 59 1.852 -19.922 1.561 1.00 62.10 C ATOM 909 CZ PHE A 59 2.751 -19.238 2.356 1.00 34.21 C ATOM 0 H PHE A 59 6.134 -23.180 1.095 1.00 13.35 H new ATOM 0 HA PHE A 59 3.297 -23.902 0.975 1.00 45.43 H new ATOM 0 HB2 PHE A 59 5.106 -22.071 -0.643 1.00 45.14 H new ATOM 0 HB3 PHE A 59 3.451 -22.415 -1.105 1.00 45.14 H new ATOM 0 HD1 PHE A 59 5.585 -20.804 1.431 1.00 75.51 H new ATOM 0 HD2 PHE A 59 1.592 -21.458 0.103 1.00 71.35 H new ATOM 0 HE1 PHE A 59 4.799 -19.021 2.926 1.00 32.52 H new ATOM 0 HE2 PHE A 59 0.802 -19.674 1.596 1.00 62.10 H new ATOM 0 HZ PHE A 59 2.404 -18.456 3.015 1.00 34.21 H new ATOM 919 N SER A 60 5.339 -25.703 -0.389 1.00 31.03 N ATOM 920 CA SER A 60 5.609 -26.794 -1.320 1.00 23.01 C ATOM 921 C SER A 60 5.809 -26.264 -2.736 1.00 74.45 C ATOM 922 O SER A 60 5.512 -26.949 -3.716 1.00 64.52 O ATOM 923 CB SER A 60 4.459 -27.805 -1.299 1.00 35.11 C ATOM 924 OG SER A 60 4.871 -29.057 -1.818 1.00 74.33 O ATOM 0 H SER A 60 5.933 -25.699 0.440 1.00 31.03 H new ATOM 0 HA SER A 60 6.527 -27.290 -1.004 1.00 23.01 H new ATOM 0 HB2 SER A 60 4.101 -27.932 -0.277 1.00 35.11 H new ATOM 0 HB3 SER A 60 3.623 -27.422 -1.885 1.00 35.11 H new ATOM 0 HG SER A 60 5.306 -28.924 -2.686 1.00 74.33 H new ATOM 930 N LEU A 61 6.315 -25.040 -2.836 1.00 21.40 N ATOM 931 CA LEU A 61 6.557 -24.416 -4.133 1.00 71.22 C ATOM 932 C LEU A 61 7.812 -24.985 -4.786 1.00 54.53 C ATOM 933 O LEU A 61 8.698 -25.501 -4.105 1.00 0.43 O ATOM 934 CB LEU A 61 6.694 -22.901 -3.973 1.00 74.25 C ATOM 935 CG LEU A 61 6.960 -22.112 -5.256 1.00 13.52 C ATOM 936 CD1 LEU A 61 5.827 -22.312 -6.250 1.00 25.20 C ATOM 937 CD2 LEU A 61 7.145 -20.634 -4.945 1.00 62.50 C ATOM 0 H LEU A 61 6.566 -24.460 -2.035 1.00 21.40 H new ATOM 0 HA LEU A 61 5.705 -24.632 -4.778 1.00 71.22 H new ATOM 0 HB2 LEU A 61 5.780 -22.520 -3.519 1.00 74.25 H new ATOM 0 HB3 LEU A 61 7.505 -22.702 -3.273 1.00 74.25 H new ATOM 0 HG LEU A 61 7.880 -22.486 -5.705 1.00 13.52 H new ATOM 0 HD11 LEU A 61 6.034 -21.743 -7.157 1.00 25.20 H new ATOM 0 HD12 LEU A 61 5.742 -23.370 -6.497 1.00 25.20 H new ATOM 0 HD13 LEU A 61 4.892 -21.966 -5.810 1.00 25.20 H new ATOM 0 HD21 LEU A 61 7.333 -20.088 -5.870 1.00 62.50 H new ATOM 0 HD22 LEU A 61 6.243 -20.246 -4.472 1.00 62.50 H new ATOM 0 HD23 LEU A 61 7.992 -20.507 -4.270 1.00 62.50 H new ATOM 949 N GLU A 62 7.881 -24.886 -6.109 1.00 64.11 N ATOM 950 CA GLU A 62 9.030 -25.390 -6.853 1.00 40.54 C ATOM 951 C GLU A 62 9.917 -24.243 -7.328 1.00 32.21 C ATOM 952 O GLU A 62 9.676 -23.654 -8.383 1.00 65.30 O ATOM 953 CB GLU A 62 8.565 -26.220 -8.052 1.00 3.23 C ATOM 954 CG GLU A 62 9.706 -26.798 -8.871 1.00 44.02 C ATOM 955 CD GLU A 62 9.882 -28.289 -8.655 1.00 2.22 C ATOM 956 OE1 GLU A 62 8.858 -28.998 -8.556 1.00 33.24 O ATOM 957 OE2 GLU A 62 11.041 -28.746 -8.585 1.00 32.41 O ATOM 0 H GLU A 62 7.156 -24.462 -6.688 1.00 64.11 H new ATOM 0 HA GLU A 62 9.613 -26.024 -6.185 1.00 40.54 H new ATOM 0 HB2 GLU A 62 7.935 -27.035 -7.696 1.00 3.23 H new ATOM 0 HB3 GLU A 62 7.946 -25.596 -8.697 1.00 3.23 H new ATOM 0 HG2 GLU A 62 9.523 -26.607 -9.928 1.00 44.02 H new ATOM 0 HG3 GLU A 62 10.632 -26.285 -8.610 1.00 44.02 H new ATOM 964 N ILE A 63 10.942 -23.931 -6.544 1.00 12.34 N ATOM 965 CA ILE A 63 11.865 -22.855 -6.884 1.00 13.42 C ATOM 966 C ILE A 63 13.176 -23.409 -7.433 1.00 50.35 C ATOM 967 O ILE A 63 13.719 -24.381 -6.908 1.00 1.03 O ATOM 968 CB ILE A 63 12.167 -21.966 -5.664 1.00 13.21 C ATOM 969 CG1 ILE A 63 10.868 -21.566 -4.962 1.00 12.13 C ATOM 970 CG2 ILE A 63 12.947 -20.730 -6.090 1.00 44.33 C ATOM 971 CD1 ILE A 63 11.084 -20.748 -3.709 1.00 31.30 C ATOM 0 H ILE A 63 11.155 -24.408 -5.668 1.00 12.34 H new ATOM 0 HA ILE A 63 11.379 -22.252 -7.651 1.00 13.42 H new ATOM 0 HB ILE A 63 12.777 -22.534 -4.962 1.00 13.21 H new ATOM 0 HG12 ILE A 63 10.250 -20.996 -5.656 1.00 12.13 H new ATOM 0 HG13 ILE A 63 10.311 -22.467 -4.706 1.00 12.13 H new ATOM 0 HG21 ILE A 63 13.153 -20.111 -5.217 1.00 44.33 H new ATOM 0 HG22 ILE A 63 13.887 -21.034 -6.550 1.00 44.33 H new ATOM 0 HG23 ILE A 63 12.360 -20.159 -6.809 1.00 44.33 H new ATOM 0 HD11 ILE A 63 10.120 -20.501 -3.265 1.00 31.30 H new ATOM 0 HD12 ILE A 63 11.675 -21.323 -2.996 1.00 31.30 H new ATOM 0 HD13 ILE A 63 11.613 -19.829 -3.961 1.00 31.30 H new ATOM 983 N SER A 64 13.680 -22.782 -8.491 1.00 62.12 N ATOM 984 CA SER A 64 14.926 -23.212 -9.112 1.00 24.42 C ATOM 985 C SER A 64 16.024 -22.173 -8.906 1.00 43.13 C ATOM 986 O SER A 64 15.828 -21.178 -8.208 1.00 51.43 O ATOM 987 CB SER A 64 14.718 -23.458 -10.608 1.00 11.30 C ATOM 988 OG SER A 64 13.414 -23.074 -11.010 1.00 62.42 O ATOM 0 H SER A 64 13.244 -21.974 -8.936 1.00 62.12 H new ATOM 0 HA SER A 64 15.236 -24.143 -8.637 1.00 24.42 H new ATOM 0 HB2 SER A 64 15.458 -22.897 -11.179 1.00 11.30 H new ATOM 0 HB3 SER A 64 14.875 -24.513 -10.832 1.00 11.30 H new ATOM 0 HG SER A 64 13.255 -22.141 -10.757 1.00 62.42 H new ATOM 994 N ASP A 65 17.180 -22.411 -9.517 1.00 62.34 N ATOM 995 CA ASP A 65 18.309 -21.497 -9.401 1.00 23.42 C ATOM 996 C ASP A 65 18.068 -20.230 -10.216 1.00 74.13 C ATOM 997 O ASP A 65 18.508 -19.145 -9.838 1.00 54.05 O ATOM 998 CB ASP A 65 19.596 -22.180 -9.867 1.00 52.11 C ATOM 999 CG ASP A 65 20.834 -21.367 -9.542 1.00 70.32 C ATOM 1000 OD1 ASP A 65 21.017 -21.013 -8.358 1.00 61.43 O ATOM 1001 OD2 ASP A 65 21.618 -21.085 -10.472 1.00 71.50 O ATOM 0 H ASP A 65 17.359 -23.230 -10.098 1.00 62.34 H new ATOM 0 HA ASP A 65 18.413 -21.219 -8.352 1.00 23.42 H new ATOM 0 HB2 ASP A 65 19.675 -23.160 -9.396 1.00 52.11 H new ATOM 0 HB3 ASP A 65 19.546 -22.346 -10.943 1.00 52.11 H new ATOM 1006 N GLU A 66 17.366 -20.377 -11.336 1.00 21.54 N ATOM 1007 CA GLU A 66 17.069 -19.244 -12.204 1.00 3.53 C ATOM 1008 C GLU A 66 15.976 -18.366 -11.599 1.00 44.45 C ATOM 1009 O GLU A 66 16.054 -17.139 -11.646 1.00 51.24 O ATOM 1010 CB GLU A 66 16.637 -19.733 -13.588 1.00 13.04 C ATOM 1011 CG GLU A 66 17.767 -19.762 -14.603 1.00 65.22 C ATOM 1012 CD GLU A 66 17.844 -18.491 -15.425 1.00 70.22 C ATOM 1013 OE1 GLU A 66 16.779 -17.916 -15.733 1.00 23.41 O ATOM 1014 OE2 GLU A 66 18.971 -18.069 -15.763 1.00 75.31 O ATOM 0 H GLU A 66 16.993 -21.268 -11.663 1.00 21.54 H new ATOM 0 HA GLU A 66 17.976 -18.648 -12.303 1.00 3.53 H new ATOM 0 HB2 GLU A 66 16.217 -20.735 -13.495 1.00 13.04 H new ATOM 0 HB3 GLU A 66 15.842 -19.087 -13.960 1.00 13.04 H new ATOM 0 HG2 GLU A 66 18.713 -19.912 -14.084 1.00 65.22 H new ATOM 0 HG3 GLU A 66 17.630 -20.614 -15.269 1.00 65.22 H new ATOM 1021 N ASP A 67 14.961 -19.005 -11.030 1.00 50.34 N ATOM 1022 CA ASP A 67 13.852 -18.284 -10.415 1.00 4.40 C ATOM 1023 C ASP A 67 14.359 -17.314 -9.351 1.00 63.04 C ATOM 1024 O ASP A 67 14.001 -16.137 -9.350 1.00 63.01 O ATOM 1025 CB ASP A 67 12.858 -19.266 -9.796 1.00 31.35 C ATOM 1026 CG ASP A 67 12.149 -20.109 -10.838 1.00 43.02 C ATOM 1027 OD1 ASP A 67 12.072 -19.668 -12.004 1.00 3.12 O ATOM 1028 OD2 ASP A 67 11.675 -21.209 -10.488 1.00 23.01 O ATOM 0 H ASP A 67 14.882 -20.021 -10.981 1.00 50.34 H new ATOM 0 HA ASP A 67 13.347 -17.711 -11.193 1.00 4.40 H new ATOM 0 HB2 ASP A 67 13.384 -19.920 -9.101 1.00 31.35 H new ATOM 0 HB3 ASP A 67 12.119 -18.713 -9.217 1.00 31.35 H new ATOM 1033 N ALA A 68 15.192 -17.818 -8.447 1.00 50.52 N ATOM 1034 CA ALA A 68 15.748 -16.998 -7.379 1.00 14.12 C ATOM 1035 C ALA A 68 16.755 -15.992 -7.927 1.00 75.14 C ATOM 1036 O ALA A 68 17.021 -14.965 -7.305 1.00 20.01 O ATOM 1037 CB ALA A 68 16.399 -17.876 -6.322 1.00 45.43 C ATOM 0 H ALA A 68 15.497 -18.791 -8.433 1.00 50.52 H new ATOM 0 HA ALA A 68 14.931 -16.442 -6.920 1.00 14.12 H new ATOM 0 HB1 ALA A 68 16.810 -17.249 -5.531 1.00 45.43 H new ATOM 0 HB2 ALA A 68 15.654 -18.551 -5.900 1.00 45.43 H new ATOM 0 HB3 ALA A 68 17.201 -18.459 -6.776 1.00 45.43 H new ATOM 1043 N GLN A 69 17.312 -16.295 -9.095 1.00 33.43 N ATOM 1044 CA GLN A 69 18.290 -15.418 -9.726 1.00 50.50 C ATOM 1045 C GLN A 69 17.703 -14.031 -9.966 1.00 42.43 C ATOM 1046 O GLN A 69 18.435 -13.052 -10.113 1.00 20.02 O ATOM 1047 CB GLN A 69 18.768 -16.018 -11.049 1.00 42.55 C ATOM 1048 CG GLN A 69 20.277 -16.182 -11.134 1.00 42.41 C ATOM 1049 CD GLN A 69 20.738 -16.651 -12.499 1.00 21.43 C ATOM 1050 OE1 GLN A 69 20.599 -15.936 -13.493 1.00 60.33 O ATOM 1051 NE2 GLN A 69 21.289 -17.857 -12.556 1.00 70.11 N ATOM 0 H GLN A 69 17.102 -17.142 -9.623 1.00 33.43 H new ATOM 0 HA GLN A 69 19.141 -15.321 -9.051 1.00 50.50 H new ATOM 0 HB2 GLN A 69 18.297 -16.991 -11.188 1.00 42.55 H new ATOM 0 HB3 GLN A 69 18.433 -15.382 -11.869 1.00 42.55 H new ATOM 0 HG2 GLN A 69 20.755 -15.231 -10.900 1.00 42.41 H new ATOM 0 HG3 GLN A 69 20.604 -16.897 -10.379 1.00 42.41 H new ATOM 0 HE21 GLN A 69 21.384 -18.415 -11.707 1.00 70.11 H new ATOM 0 HE22 GLN A 69 21.617 -18.226 -13.448 1.00 70.11 H new ATOM 1060 N LYS A 70 16.377 -13.954 -10.005 1.00 74.45 N ATOM 1061 CA LYS A 70 15.690 -12.687 -10.227 1.00 1.53 C ATOM 1062 C LYS A 70 15.017 -12.202 -8.946 1.00 1.43 C ATOM 1063 O LYS A 70 14.676 -11.026 -8.820 1.00 51.12 O ATOM 1064 CB LYS A 70 14.648 -12.836 -11.337 1.00 34.22 C ATOM 1065 CG LYS A 70 13.409 -13.604 -10.911 1.00 63.44 C ATOM 1066 CD LYS A 70 12.168 -12.728 -10.956 1.00 33.11 C ATOM 1067 CE LYS A 70 11.658 -12.558 -12.378 1.00 71.42 C ATOM 1068 NZ LYS A 70 10.540 -13.494 -12.683 1.00 44.31 N ATOM 0 H LYS A 70 15.756 -14.755 -9.886 1.00 74.45 H new ATOM 0 HA LYS A 70 16.432 -11.948 -10.530 1.00 1.53 H new ATOM 0 HB2 LYS A 70 14.351 -11.845 -11.680 1.00 34.22 H new ATOM 0 HB3 LYS A 70 15.105 -13.343 -12.187 1.00 34.22 H new ATOM 0 HG2 LYS A 70 13.271 -14.466 -11.564 1.00 63.44 H new ATOM 0 HG3 LYS A 70 13.548 -13.989 -9.901 1.00 63.44 H new ATOM 0 HD2 LYS A 70 11.386 -13.170 -10.338 1.00 33.11 H new ATOM 0 HD3 LYS A 70 12.396 -11.751 -10.531 1.00 33.11 H new ATOM 0 HE2 LYS A 70 11.322 -11.531 -12.523 1.00 71.42 H new ATOM 0 HE3 LYS A 70 12.475 -12.728 -13.079 1.00 71.42 H new ATOM 0 HZ1 LYS A 70 10.221 -13.346 -13.662 1.00 44.31 H new ATOM 0 HZ2 LYS A 70 10.868 -14.475 -12.570 1.00 44.31 H new ATOM 0 HZ3 LYS A 70 9.750 -13.315 -12.031 1.00 44.31 H new ATOM 1082 N LEU A 71 14.832 -13.115 -7.999 1.00 13.15 N ATOM 1083 CA LEU A 71 14.201 -12.779 -6.726 1.00 10.42 C ATOM 1084 C LEU A 71 15.223 -12.221 -5.742 1.00 61.30 C ATOM 1085 O LEU A 71 15.930 -12.973 -5.073 1.00 61.23 O ATOM 1086 CB LEU A 71 13.523 -14.014 -6.130 1.00 23.55 C ATOM 1087 CG LEU A 71 12.340 -14.577 -6.918 1.00 21.50 C ATOM 1088 CD1 LEU A 71 11.691 -15.724 -6.160 1.00 21.03 C ATOM 1089 CD2 LEU A 71 11.323 -13.484 -7.208 1.00 12.53 C ATOM 0 H LEU A 71 15.109 -14.093 -8.088 1.00 13.15 H new ATOM 0 HA LEU A 71 13.449 -12.013 -6.912 1.00 10.42 H new ATOM 0 HB2 LEU A 71 14.271 -14.800 -6.026 1.00 23.55 H new ATOM 0 HB3 LEU A 71 13.180 -13.766 -5.126 1.00 23.55 H new ATOM 0 HG LEU A 71 12.711 -14.961 -7.868 1.00 21.50 H new ATOM 0 HD11 LEU A 71 10.851 -16.112 -6.736 1.00 21.03 H new ATOM 0 HD12 LEU A 71 12.422 -16.518 -6.005 1.00 21.03 H new ATOM 0 HD13 LEU A 71 11.334 -15.366 -5.194 1.00 21.03 H new ATOM 0 HD21 LEU A 71 10.488 -13.903 -7.770 1.00 12.53 H new ATOM 0 HD22 LEU A 71 10.957 -13.069 -6.269 1.00 12.53 H new ATOM 0 HD23 LEU A 71 11.794 -12.695 -7.794 1.00 12.53 H new ATOM 1101 N GLU A 72 15.296 -10.895 -5.660 1.00 14.33 N ATOM 1102 CA GLU A 72 16.231 -10.237 -4.756 1.00 73.52 C ATOM 1103 C GLU A 72 15.522 -9.180 -3.915 1.00 43.43 C ATOM 1104 O GLU A 72 16.163 -8.377 -3.236 1.00 73.12 O ATOM 1105 CB GLU A 72 17.373 -9.595 -5.547 1.00 41.34 C ATOM 1106 CG GLU A 72 16.901 -8.611 -6.605 1.00 21.33 C ATOM 1107 CD GLU A 72 16.845 -7.184 -6.092 1.00 53.11 C ATOM 1108 OE1 GLU A 72 17.812 -6.753 -5.431 1.00 52.00 O ATOM 1109 OE2 GLU A 72 15.833 -6.501 -6.353 1.00 42.31 O ATOM 0 H GLU A 72 14.719 -10.257 -6.208 1.00 14.33 H new ATOM 0 HA GLU A 72 16.642 -10.992 -4.087 1.00 73.52 H new ATOM 0 HB2 GLU A 72 18.039 -9.080 -4.855 1.00 41.34 H new ATOM 0 HB3 GLU A 72 17.958 -10.380 -6.027 1.00 41.34 H new ATOM 0 HG2 GLU A 72 17.570 -8.658 -7.464 1.00 21.33 H new ATOM 0 HG3 GLU A 72 15.912 -8.906 -6.955 1.00 21.33 H new ATOM 1116 N THR A 73 14.194 -9.184 -3.966 1.00 72.44 N ATOM 1117 CA THR A 73 13.396 -8.226 -3.211 1.00 4.34 C ATOM 1118 C THR A 73 12.161 -8.888 -2.614 1.00 12.00 C ATOM 1119 O THR A 73 11.624 -9.843 -3.175 1.00 42.34 O ATOM 1120 CB THR A 73 12.955 -7.043 -4.094 1.00 65.13 C ATOM 1121 OG1 THR A 73 12.673 -7.502 -5.421 1.00 4.12 O ATOM 1122 CG2 THR A 73 14.034 -5.971 -4.141 1.00 4.33 C ATOM 0 H THR A 73 13.648 -9.841 -4.523 1.00 72.44 H new ATOM 0 HA THR A 73 14.029 -7.853 -2.406 1.00 4.34 H new ATOM 0 HB THR A 73 12.054 -6.610 -3.660 1.00 65.13 H new ATOM 0 HG1 THR A 73 12.548 -6.732 -6.014 1.00 4.12 H new ATOM 0 HG21 THR A 73 13.700 -5.146 -4.770 1.00 4.33 H new ATOM 0 HG22 THR A 73 14.226 -5.604 -3.133 1.00 4.33 H new ATOM 0 HG23 THR A 73 14.950 -6.394 -4.554 1.00 4.33 H new ATOM 1130 N VAL A 74 11.712 -8.373 -1.473 1.00 44.25 N ATOM 1131 CA VAL A 74 10.537 -8.914 -0.800 1.00 71.10 C ATOM 1132 C VAL A 74 9.340 -8.970 -1.744 1.00 60.12 C ATOM 1133 O VAL A 74 8.745 -10.029 -1.947 1.00 22.51 O ATOM 1134 CB VAL A 74 10.163 -8.076 0.437 1.00 25.12 C ATOM 1135 CG1 VAL A 74 8.934 -8.654 1.122 1.00 52.13 C ATOM 1136 CG2 VAL A 74 11.336 -7.999 1.402 1.00 34.04 C ATOM 0 H VAL A 74 12.144 -7.582 -0.996 1.00 44.25 H new ATOM 0 HA VAL A 74 10.792 -9.925 -0.481 1.00 71.10 H new ATOM 0 HB VAL A 74 9.924 -7.064 0.111 1.00 25.12 H new ATOM 0 HG11 VAL A 74 8.685 -8.049 1.994 1.00 52.13 H new ATOM 0 HG12 VAL A 74 8.095 -8.651 0.426 1.00 52.13 H new ATOM 0 HG13 VAL A 74 9.140 -9.677 1.437 1.00 52.13 H new ATOM 0 HG21 VAL A 74 11.054 -7.403 2.270 1.00 34.04 H new ATOM 0 HG22 VAL A 74 11.609 -9.004 1.724 1.00 34.04 H new ATOM 0 HG23 VAL A 74 12.187 -7.535 0.904 1.00 34.04 H new ATOM 1146 N ASP A 75 8.994 -7.824 -2.318 1.00 22.54 N ATOM 1147 CA ASP A 75 7.869 -7.742 -3.242 1.00 40.14 C ATOM 1148 C ASP A 75 8.001 -8.778 -4.353 1.00 70.00 C ATOM 1149 O ASP A 75 7.048 -9.491 -4.668 1.00 42.53 O ATOM 1150 CB ASP A 75 7.777 -6.338 -3.845 1.00 63.23 C ATOM 1151 CG ASP A 75 6.513 -6.138 -4.658 1.00 53.41 C ATOM 1152 OD1 ASP A 75 5.419 -6.111 -4.056 1.00 23.41 O ATOM 1153 OD2 ASP A 75 6.617 -6.010 -5.895 1.00 1.32 O ATOM 0 H ASP A 75 9.476 -6.939 -2.160 1.00 22.54 H new ATOM 0 HA ASP A 75 6.957 -7.950 -2.683 1.00 40.14 H new ATOM 0 HB2 ASP A 75 7.811 -5.599 -3.044 1.00 63.23 H new ATOM 0 HB3 ASP A 75 8.645 -6.161 -4.480 1.00 63.23 H new ATOM 1158 N ASP A 76 9.188 -8.855 -4.945 1.00 53.01 N ATOM 1159 CA ASP A 76 9.446 -9.804 -6.021 1.00 32.13 C ATOM 1160 C ASP A 76 9.237 -11.238 -5.543 1.00 4.15 C ATOM 1161 O ASP A 76 8.533 -12.019 -6.182 1.00 73.03 O ATOM 1162 CB ASP A 76 10.870 -9.633 -6.551 1.00 73.52 C ATOM 1163 CG ASP A 76 11.004 -8.436 -7.474 1.00 1.45 C ATOM 1164 OD1 ASP A 76 10.419 -7.379 -7.161 1.00 14.20 O ATOM 1165 OD2 ASP A 76 11.695 -8.559 -8.507 1.00 43.24 O ATOM 0 H ASP A 76 9.987 -8.271 -4.697 1.00 53.01 H new ATOM 0 HA ASP A 76 8.740 -9.602 -6.827 1.00 32.13 H new ATOM 0 HB2 ASP A 76 11.556 -9.520 -5.712 1.00 73.52 H new ATOM 0 HB3 ASP A 76 11.167 -10.535 -7.085 1.00 73.52 H new ATOM 1170 N ILE A 77 9.855 -11.577 -4.416 1.00 33.41 N ATOM 1171 CA ILE A 77 9.737 -12.915 -3.853 1.00 42.01 C ATOM 1172 C ILE A 77 8.276 -13.288 -3.622 1.00 14.23 C ATOM 1173 O ILE A 77 7.798 -14.306 -4.123 1.00 4.43 O ATOM 1174 CB ILE A 77 10.503 -13.037 -2.523 1.00 62.01 C ATOM 1175 CG1 ILE A 77 11.983 -12.712 -2.730 1.00 31.21 C ATOM 1176 CG2 ILE A 77 10.337 -14.433 -1.941 1.00 54.54 C ATOM 1177 CD1 ILE A 77 12.624 -12.028 -1.542 1.00 0.20 C ATOM 0 H ILE A 77 10.443 -10.942 -3.875 1.00 33.41 H new ATOM 0 HA ILE A 77 10.174 -13.601 -4.578 1.00 42.01 H new ATOM 0 HB ILE A 77 10.089 -12.319 -1.815 1.00 62.01 H new ATOM 0 HG12 ILE A 77 12.523 -13.635 -2.942 1.00 31.21 H new ATOM 0 HG13 ILE A 77 12.087 -12.073 -3.607 1.00 31.21 H new ATOM 0 HG21 ILE A 77 10.885 -14.503 -1.001 1.00 54.54 H new ATOM 0 HG22 ILE A 77 9.280 -14.629 -1.761 1.00 54.54 H new ATOM 0 HG23 ILE A 77 10.727 -15.169 -2.644 1.00 54.54 H new ATOM 0 HD11 ILE A 77 13.673 -11.828 -1.760 1.00 0.20 H new ATOM 0 HD12 ILE A 77 12.109 -11.088 -1.342 1.00 0.20 H new ATOM 0 HD13 ILE A 77 12.552 -12.675 -0.667 1.00 0.20 H new ATOM 1189 N CYS A 78 7.573 -12.456 -2.862 1.00 61.25 N ATOM 1190 CA CYS A 78 6.165 -12.697 -2.565 1.00 2.14 C ATOM 1191 C CYS A 78 5.350 -12.807 -3.849 1.00 72.24 C ATOM 1192 O CYS A 78 4.470 -13.660 -3.966 1.00 42.05 O ATOM 1193 CB CYS A 78 5.609 -11.574 -1.688 1.00 33.40 C ATOM 1194 SG CYS A 78 4.063 -11.991 -0.848 1.00 42.35 S ATOM 0 H CYS A 78 7.954 -11.609 -2.440 1.00 61.25 H new ATOM 0 HA CYS A 78 6.089 -13.641 -2.026 1.00 2.14 H new ATOM 0 HB2 CYS A 78 6.356 -11.308 -0.940 1.00 33.40 H new ATOM 0 HB3 CYS A 78 5.448 -10.691 -2.306 1.00 33.40 H new ATOM 0 HG CYS A 78 3.391 -12.837 -1.571 1.00 42.35 H new ATOM 1200 N ARG A 79 5.647 -11.938 -4.809 1.00 42.12 N ATOM 1201 CA ARG A 79 4.940 -11.937 -6.084 1.00 32.51 C ATOM 1202 C ARG A 79 5.119 -13.268 -6.807 1.00 62.11 C ATOM 1203 O ARG A 79 4.180 -13.789 -7.411 1.00 54.33 O ATOM 1204 CB ARG A 79 5.441 -10.793 -6.968 1.00 34.14 C ATOM 1205 CG ARG A 79 4.870 -9.436 -6.590 1.00 33.33 C ATOM 1206 CD ARG A 79 3.929 -8.909 -7.663 1.00 43.34 C ATOM 1207 NE ARG A 79 2.533 -8.957 -7.238 1.00 64.15 N ATOM 1208 CZ ARG A 79 1.774 -10.043 -7.328 1.00 42.12 C ATOM 1209 NH1 ARG A 79 2.273 -11.166 -7.825 1.00 41.13 N ATOM 1210 NH2 ARG A 79 0.511 -10.007 -6.920 1.00 72.00 N ATOM 0 H ARG A 79 6.372 -11.225 -4.728 1.00 42.12 H new ATOM 0 HA ARG A 79 3.879 -11.794 -5.882 1.00 32.51 H new ATOM 0 HB2 ARG A 79 6.529 -10.749 -6.909 1.00 34.14 H new ATOM 0 HB3 ARG A 79 5.186 -11.009 -8.006 1.00 34.14 H new ATOM 0 HG2 ARG A 79 4.336 -9.516 -5.643 1.00 33.33 H new ATOM 0 HG3 ARG A 79 5.684 -8.727 -6.438 1.00 33.33 H new ATOM 0 HD2 ARG A 79 4.198 -7.882 -7.908 1.00 43.34 H new ATOM 0 HD3 ARG A 79 4.051 -9.497 -8.573 1.00 43.34 H new ATOM 0 HE ARG A 79 2.118 -8.110 -6.851 1.00 64.15 H new ATOM 0 HH11 ARG A 79 3.243 -11.198 -8.140 1.00 41.13 H new ATOM 0 HH12 ARG A 79 1.687 -11.998 -7.893 1.00 41.13 H new ATOM 0 HH21 ARG A 79 0.123 -9.145 -6.537 1.00 72.00 H new ATOM 0 HH22 ARG A 79 -0.071 -10.842 -6.989 1.00 72.00 H new ATOM 1224 N TYR A 80 6.328 -13.813 -6.741 1.00 65.34 N ATOM 1225 CA TYR A 80 6.630 -15.083 -7.391 1.00 50.23 C ATOM 1226 C TYR A 80 5.904 -16.235 -6.703 1.00 33.42 C ATOM 1227 O TYR A 80 5.365 -17.125 -7.362 1.00 3.40 O ATOM 1228 CB TYR A 80 8.138 -15.339 -7.381 1.00 55.12 C ATOM 1229 CG TYR A 80 8.521 -16.727 -7.842 1.00 74.13 C ATOM 1230 CD1 TYR A 80 8.567 -17.789 -6.947 1.00 52.21 C ATOM 1231 CD2 TYR A 80 8.837 -16.977 -9.172 1.00 64.12 C ATOM 1232 CE1 TYR A 80 8.917 -19.059 -7.363 1.00 73.04 C ATOM 1233 CE2 TYR A 80 9.185 -18.244 -9.597 1.00 4.04 C ATOM 1234 CZ TYR A 80 9.224 -19.282 -8.689 1.00 53.44 C ATOM 1235 OH TYR A 80 9.573 -20.545 -9.109 1.00 12.11 O ATOM 0 H TYR A 80 7.115 -13.396 -6.244 1.00 65.34 H new ATOM 0 HA TYR A 80 6.284 -15.024 -8.423 1.00 50.23 H new ATOM 0 HB2 TYR A 80 8.627 -14.605 -8.022 1.00 55.12 H new ATOM 0 HB3 TYR A 80 8.518 -15.183 -6.371 1.00 55.12 H new ATOM 0 HD1 TYR A 80 8.325 -17.619 -5.908 1.00 52.21 H new ATOM 0 HD2 TYR A 80 8.810 -16.167 -9.885 1.00 64.12 H new ATOM 0 HE1 TYR A 80 8.950 -19.873 -6.654 1.00 73.04 H new ATOM 0 HE2 TYR A 80 9.425 -18.421 -10.635 1.00 4.04 H new ATOM 0 HH TYR A 80 10.543 -20.589 -9.242 1.00 12.11 H new ATOM 1245 N ILE A 81 5.893 -16.209 -5.375 1.00 75.45 N ATOM 1246 CA ILE A 81 5.232 -17.249 -4.597 1.00 44.21 C ATOM 1247 C ILE A 81 3.716 -17.159 -4.736 1.00 45.44 C ATOM 1248 O ILE A 81 3.023 -18.177 -4.762 1.00 63.42 O ATOM 1249 CB ILE A 81 5.605 -17.160 -3.105 1.00 32.32 C ATOM 1250 CG1 ILE A 81 7.119 -17.295 -2.928 1.00 21.53 C ATOM 1251 CG2 ILE A 81 4.876 -18.234 -2.311 1.00 70.44 C ATOM 1252 CD1 ILE A 81 7.568 -17.202 -1.486 1.00 20.45 C ATOM 0 H ILE A 81 6.334 -15.479 -4.815 1.00 75.45 H new ATOM 0 HA ILE A 81 5.575 -18.205 -4.992 1.00 44.21 H new ATOM 0 HB ILE A 81 5.298 -16.185 -2.726 1.00 32.32 H new ATOM 0 HG12 ILE A 81 7.441 -18.251 -3.340 1.00 21.53 H new ATOM 0 HG13 ILE A 81 7.615 -16.516 -3.506 1.00 21.53 H new ATOM 0 HG21 ILE A 81 5.150 -18.158 -1.259 1.00 70.44 H new ATOM 0 HG22 ILE A 81 3.800 -18.097 -2.416 1.00 70.44 H new ATOM 0 HG23 ILE A 81 5.155 -19.218 -2.688 1.00 70.44 H new ATOM 0 HD11 ILE A 81 8.652 -17.306 -1.435 1.00 20.45 H new ATOM 0 HD12 ILE A 81 7.276 -16.235 -1.076 1.00 20.45 H new ATOM 0 HD13 ILE A 81 7.100 -17.998 -0.907 1.00 20.45 H new ATOM 1264 N ALA A 82 3.207 -15.935 -4.827 1.00 24.44 N ATOM 1265 CA ALA A 82 1.774 -15.712 -4.967 1.00 74.32 C ATOM 1266 C ALA A 82 1.284 -16.141 -6.346 1.00 1.20 C ATOM 1267 O ALA A 82 0.266 -16.822 -6.470 1.00 72.43 O ATOM 1268 CB ALA A 82 1.440 -14.248 -4.718 1.00 50.42 C ATOM 0 H ALA A 82 3.766 -15.082 -4.806 1.00 24.44 H new ATOM 0 HA ALA A 82 1.262 -16.322 -4.222 1.00 74.32 H new ATOM 0 HB1 ALA A 82 0.366 -14.096 -4.826 1.00 50.42 H new ATOM 0 HB2 ALA A 82 1.746 -13.972 -3.709 1.00 50.42 H new ATOM 0 HB3 ALA A 82 1.969 -13.626 -5.440 1.00 50.42 H new ATOM 1274 N SER A 83 2.015 -15.737 -7.381 1.00 34.12 N ATOM 1275 CA SER A 83 1.652 -16.076 -8.752 1.00 43.14 C ATOM 1276 C SER A 83 1.491 -17.585 -8.913 1.00 54.13 C ATOM 1277 O SER A 83 0.747 -18.053 -9.776 1.00 22.31 O ATOM 1278 CB SER A 83 2.712 -15.557 -9.725 1.00 1.43 C ATOM 1279 OG SER A 83 2.435 -15.976 -11.050 1.00 10.43 O ATOM 0 H SER A 83 2.862 -15.175 -7.296 1.00 34.12 H new ATOM 0 HA SER A 83 0.698 -15.600 -8.979 1.00 43.14 H new ATOM 0 HB2 SER A 83 2.746 -14.468 -9.684 1.00 1.43 H new ATOM 0 HB3 SER A 83 3.695 -15.918 -9.424 1.00 1.43 H new ATOM 0 HG SER A 83 3.126 -15.631 -11.653 1.00 10.43 H new ATOM 1285 N LYS A 84 2.194 -18.342 -8.078 1.00 42.25 N ATOM 1286 CA LYS A 84 2.129 -19.798 -8.125 1.00 0.24 C ATOM 1287 C LYS A 84 0.895 -20.312 -7.390 1.00 65.15 C ATOM 1288 O LYS A 84 0.132 -21.117 -7.926 1.00 0.04 O ATOM 1289 CB LYS A 84 3.392 -20.405 -7.510 1.00 70.24 C ATOM 1290 CG LYS A 84 4.668 -20.019 -8.236 1.00 52.41 C ATOM 1291 CD LYS A 84 4.935 -20.935 -9.419 1.00 32.14 C ATOM 1292 CE LYS A 84 6.376 -20.825 -9.894 1.00 24.30 C ATOM 1293 NZ LYS A 84 7.183 -22.011 -9.496 1.00 51.04 N ATOM 0 H LYS A 84 2.816 -17.971 -7.360 1.00 42.25 H new ATOM 0 HA LYS A 84 2.059 -20.100 -9.170 1.00 0.24 H new ATOM 0 HB2 LYS A 84 3.467 -20.090 -6.469 1.00 70.24 H new ATOM 0 HB3 LYS A 84 3.299 -21.491 -7.508 1.00 70.24 H new ATOM 0 HG2 LYS A 84 4.593 -18.988 -8.582 1.00 52.41 H new ATOM 0 HG3 LYS A 84 5.509 -20.062 -7.544 1.00 52.41 H new ATOM 0 HD2 LYS A 84 4.721 -21.966 -9.138 1.00 32.14 H new ATOM 0 HD3 LYS A 84 4.261 -20.681 -10.237 1.00 32.14 H new ATOM 0 HE2 LYS A 84 6.394 -20.721 -10.979 1.00 24.30 H new ATOM 0 HE3 LYS A 84 6.827 -19.923 -9.480 1.00 24.30 H new ATOM 0 HZ1 LYS A 84 8.099 -21.696 -9.118 1.00 51.04 H new ATOM 0 HZ2 LYS A 84 6.673 -22.549 -8.766 1.00 51.04 H new ATOM 0 HZ3 LYS A 84 7.341 -22.618 -10.326 1.00 51.04 H new