USER MOD reduce.3.24.130724 H: found=0, std=0, add=816, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 816 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 29 TYR OH : rot 165:sc= 1.16 USER MOD Set 1.2: A 97 THR OG1 : rot 128:sc= 0.979 USER MOD Set 2.1: A 86 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 90 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 9 SER OG : rot 180:sc=-0.00593 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 GLN : amide:sc= 0.256 K(o=0.26,f=-0.34) USER MOD Single : A 30 LYS NZ :NH3+ -157:sc= 0 (180deg=-0.0116) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 HIS : no HD1:sc= -0.32 K(o=-0.32,f=-6.9!) USER MOD Single : A 38 SER OG : rot -63:sc= 0.629 USER MOD Single : A 47 ASN : amide:sc= -0.575 K(o=-0.57,f=-4.6!) USER MOD Single : A 53 THR OG1 : rot -48:sc= 1.77 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 57 CYS SG : rot 180:sc= -0.0689 USER MOD Single : A 59 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 65 GLN : amide:sc= -0.118 X(o=-0.12,f=0) USER MOD Single : A 67 SER OG : rot 119:sc= 1.23 USER MOD Single : A 69 GLN : amide:sc= -0.0999 K(o=-0.1,f=-1.7!) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot 180:sc= 0.0701 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 79 TYR OH : rot 180:sc= -0.595 USER MOD Single : A 80 ASN : amide:sc= -1.4! C(o=-1.4!,f=-5.7!) USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 CYS SG : rot -170:sc= -0.236 USER MOD Single : A 89 HIS : +bothHN:sc= -0.527 K(o=-0.53,f=-5.8!) USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 63 N VAL A 7 14.694 -2.292 4.263 1.00 54.53 N ATOM 64 CA VAL A 7 15.433 -3.546 4.184 1.00 12.14 C ATOM 65 C VAL A 7 14.821 -4.603 5.097 1.00 13.14 C ATOM 66 O VAL A 7 14.287 -5.610 4.629 1.00 33.33 O ATOM 67 CB VAL A 7 16.913 -3.350 4.563 1.00 50.41 C ATOM 68 CG1 VAL A 7 17.659 -4.674 4.501 1.00 34.21 C ATOM 69 CG2 VAL A 7 17.562 -2.318 3.653 1.00 23.13 C ATOM 0 HA VAL A 7 15.373 -3.885 3.150 1.00 12.14 H new ATOM 0 HB VAL A 7 16.964 -2.980 5.587 1.00 50.41 H new ATOM 0 HG11 VAL A 7 18.703 -4.516 4.772 1.00 34.21 H new ATOM 0 HG12 VAL A 7 17.206 -5.380 5.197 1.00 34.21 H new ATOM 0 HG13 VAL A 7 17.603 -5.076 3.489 1.00 34.21 H new ATOM 0 HG21 VAL A 7 18.607 -2.191 3.934 1.00 23.13 H new ATOM 0 HG22 VAL A 7 17.503 -2.657 2.619 1.00 23.13 H new ATOM 0 HG23 VAL A 7 17.041 -1.366 3.753 1.00 23.13 H new ATOM 79 N LEU A 8 14.903 -4.368 6.401 1.00 53.51 N ATOM 80 CA LEU A 8 14.356 -5.299 7.382 1.00 1.23 C ATOM 81 C LEU A 8 13.185 -4.674 8.134 1.00 65.12 C ATOM 82 O LEU A 8 13.303 -3.580 8.687 1.00 1.44 O ATOM 83 CB LEU A 8 15.443 -5.725 8.370 1.00 42.44 C ATOM 84 CG LEU A 8 16.577 -6.575 7.796 1.00 10.23 C ATOM 85 CD1 LEU A 8 17.531 -7.007 8.898 1.00 61.42 C ATOM 86 CD2 LEU A 8 16.018 -7.789 7.067 1.00 53.24 C ATOM 0 H LEU A 8 15.343 -3.541 6.804 1.00 53.51 H new ATOM 0 HA LEU A 8 13.993 -6.178 6.849 1.00 1.23 H new ATOM 0 HB2 LEU A 8 15.876 -4.828 8.811 1.00 42.44 H new ATOM 0 HB3 LEU A 8 14.972 -6.283 9.179 1.00 42.44 H new ATOM 0 HG LEU A 8 17.132 -5.969 7.080 1.00 10.23 H new ATOM 0 HD11 LEU A 8 18.331 -7.611 8.470 1.00 61.42 H new ATOM 0 HD12 LEU A 8 17.958 -6.125 9.376 1.00 61.42 H new ATOM 0 HD13 LEU A 8 16.989 -7.595 9.639 1.00 61.42 H new ATOM 0 HD21 LEU A 8 16.839 -8.382 6.665 1.00 53.24 H new ATOM 0 HD22 LEU A 8 15.438 -8.396 7.762 1.00 53.24 H new ATOM 0 HD23 LEU A 8 15.375 -7.459 6.251 1.00 53.24 H new ATOM 98 N SER A 9 12.057 -5.378 8.154 1.00 21.43 N ATOM 99 CA SER A 9 10.865 -4.892 8.837 1.00 33.11 C ATOM 100 C SER A 9 11.014 -5.023 10.350 1.00 21.11 C ATOM 101 O SER A 9 12.038 -5.490 10.846 1.00 22.12 O ATOM 102 CB SER A 9 9.630 -5.663 8.366 1.00 61.44 C ATOM 103 OG SER A 9 9.329 -6.731 9.248 1.00 32.31 O ATOM 0 H SER A 9 11.945 -6.287 7.705 1.00 21.43 H new ATOM 0 HA SER A 9 10.741 -3.837 8.591 1.00 33.11 H new ATOM 0 HB2 SER A 9 8.777 -4.987 8.304 1.00 61.44 H new ATOM 0 HB3 SER A 9 9.801 -6.053 7.363 1.00 61.44 H new ATOM 0 HG SER A 9 8.535 -7.207 8.926 1.00 32.31 H new ATOM 109 N GLY A 10 9.982 -4.606 11.078 1.00 64.42 N ATOM 110 CA GLY A 10 10.017 -4.685 12.527 1.00 60.23 C ATOM 111 C GLY A 10 10.400 -6.065 13.023 1.00 52.04 C ATOM 112 O GLY A 10 11.256 -6.203 13.896 1.00 33.42 O ATOM 0 H GLY A 10 9.123 -4.215 10.690 1.00 64.42 H new ATOM 0 HA2 GLY A 10 10.729 -3.954 12.911 1.00 60.23 H new ATOM 0 HA3 GLY A 10 9.039 -4.417 12.926 1.00 60.23 H new ATOM 116 N GLY A 11 9.762 -7.090 12.467 1.00 61.12 N ATOM 117 CA GLY A 11 10.053 -8.453 12.872 1.00 52.45 C ATOM 118 C GLY A 11 11.473 -8.867 12.540 1.00 75.14 C ATOM 119 O GLY A 11 12.191 -9.383 13.395 1.00 41.55 O ATOM 0 H GLY A 11 9.049 -7.001 11.743 1.00 61.12 H new ATOM 0 HA2 GLY A 11 9.891 -8.552 13.945 1.00 52.45 H new ATOM 0 HA3 GLY A 11 9.356 -9.131 12.380 1.00 52.45 H new ATOM 123 N GLU A 12 11.877 -8.640 11.295 1.00 34.22 N ATOM 124 CA GLU A 12 13.221 -8.995 10.851 1.00 53.43 C ATOM 125 C GLU A 12 14.275 -8.247 11.661 1.00 62.45 C ATOM 126 O GLU A 12 15.341 -8.787 11.963 1.00 50.12 O ATOM 127 CB GLU A 12 13.389 -8.686 9.363 1.00 30.43 C ATOM 128 CG GLU A 12 12.238 -9.182 8.504 1.00 53.11 C ATOM 129 CD GLU A 12 12.496 -8.998 7.021 1.00 4.34 C ATOM 130 OE1 GLU A 12 12.433 -7.845 6.546 1.00 64.12 O ATOM 131 OE2 GLU A 12 12.759 -10.008 6.334 1.00 65.44 O ATOM 0 H GLU A 12 11.294 -8.212 10.576 1.00 34.22 H new ATOM 0 HA GLU A 12 13.358 -10.065 11.009 1.00 53.43 H new ATOM 0 HB2 GLU A 12 13.490 -7.608 9.234 1.00 30.43 H new ATOM 0 HB3 GLU A 12 14.316 -9.137 9.009 1.00 30.43 H new ATOM 0 HG2 GLU A 12 12.064 -10.238 8.711 1.00 53.11 H new ATOM 0 HG3 GLU A 12 11.328 -8.649 8.780 1.00 53.11 H new ATOM 138 N LEU A 13 13.974 -7.001 12.007 1.00 53.43 N ATOM 139 CA LEU A 13 14.895 -6.177 12.781 1.00 72.24 C ATOM 140 C LEU A 13 15.115 -6.763 14.171 1.00 51.41 C ATOM 141 O LEU A 13 16.240 -6.802 14.669 1.00 42.25 O ATOM 142 CB LEU A 13 14.359 -4.748 12.896 1.00 64.32 C ATOM 143 CG LEU A 13 15.411 -3.643 13.002 1.00 21.32 C ATOM 144 CD1 LEU A 13 16.415 -3.965 14.098 1.00 72.54 C ATOM 145 CD2 LEU A 13 16.119 -3.451 11.668 1.00 3.41 C ATOM 0 H LEU A 13 13.098 -6.538 11.763 1.00 53.43 H new ATOM 0 HA LEU A 13 15.852 -6.159 12.260 1.00 72.24 H new ATOM 0 HB2 LEU A 13 13.734 -4.545 12.027 1.00 64.32 H new ATOM 0 HB3 LEU A 13 13.714 -4.693 13.773 1.00 64.32 H new ATOM 0 HG LEU A 13 14.907 -2.712 13.261 1.00 21.32 H new ATOM 0 HD11 LEU A 13 17.156 -3.168 14.159 1.00 72.54 H new ATOM 0 HD12 LEU A 13 15.896 -4.052 15.053 1.00 72.54 H new ATOM 0 HD13 LEU A 13 16.914 -4.907 13.869 1.00 72.54 H new ATOM 0 HD21 LEU A 13 16.864 -2.661 11.762 1.00 3.41 H new ATOM 0 HD22 LEU A 13 16.610 -4.380 11.380 1.00 3.41 H new ATOM 0 HD23 LEU A 13 15.391 -3.174 10.906 1.00 3.41 H new ATOM 157 N ASP A 14 14.033 -7.221 14.792 1.00 73.12 N ATOM 158 CA ASP A 14 14.107 -7.809 16.125 1.00 34.50 C ATOM 159 C ASP A 14 15.105 -8.962 16.154 1.00 3.21 C ATOM 160 O ASP A 14 16.025 -8.980 16.973 1.00 11.44 O ATOM 161 CB ASP A 14 12.728 -8.300 16.566 1.00 1.33 C ATOM 162 CG ASP A 14 12.679 -8.639 18.042 1.00 42.55 C ATOM 163 OD1 ASP A 14 13.400 -7.986 18.826 1.00 23.33 O ATOM 164 OD2 ASP A 14 11.919 -9.557 18.416 1.00 21.22 O ATOM 0 H ASP A 14 13.094 -7.196 14.394 1.00 73.12 H new ATOM 0 HA ASP A 14 14.448 -7.039 16.817 1.00 34.50 H new ATOM 0 HB2 ASP A 14 11.985 -7.533 16.348 1.00 1.33 H new ATOM 0 HB3 ASP A 14 12.456 -9.181 15.985 1.00 1.33 H new ATOM 169 N LYS A 15 14.917 -9.924 15.257 1.00 31.31 N ATOM 170 CA LYS A 15 15.801 -11.082 15.180 1.00 75.21 C ATOM 171 C LYS A 15 17.188 -10.676 14.688 1.00 15.44 C ATOM 172 O LYS A 15 18.200 -11.148 15.203 1.00 44.21 O ATOM 173 CB LYS A 15 15.207 -12.140 14.247 1.00 50.31 C ATOM 174 CG LYS A 15 14.297 -13.130 14.953 1.00 44.11 C ATOM 175 CD LYS A 15 12.831 -12.799 14.727 1.00 5.22 C ATOM 176 CE LYS A 15 11.970 -14.053 14.734 1.00 1.33 C ATOM 177 NZ LYS A 15 10.767 -13.895 15.597 1.00 42.01 N ATOM 0 H LYS A 15 14.160 -9.925 14.573 1.00 31.31 H new ATOM 0 HA LYS A 15 15.898 -11.502 16.181 1.00 75.21 H new ATOM 0 HB2 LYS A 15 14.645 -11.642 13.457 1.00 50.31 H new ATOM 0 HB3 LYS A 15 16.019 -12.685 13.765 1.00 50.31 H new ATOM 0 HG2 LYS A 15 14.503 -14.137 14.591 1.00 44.11 H new ATOM 0 HG3 LYS A 15 14.512 -13.125 16.022 1.00 44.11 H new ATOM 0 HD2 LYS A 15 12.487 -12.116 15.503 1.00 5.22 H new ATOM 0 HD3 LYS A 15 12.716 -12.282 13.774 1.00 5.22 H new ATOM 0 HE2 LYS A 15 11.658 -14.285 13.716 1.00 1.33 H new ATOM 0 HE3 LYS A 15 12.562 -14.898 15.087 1.00 1.33 H new ATOM 0 HZ1 LYS A 15 10.207 -14.771 15.575 1.00 42.01 H new ATOM 0 HZ2 LYS A 15 11.064 -13.699 16.574 1.00 42.01 H new ATOM 0 HZ3 LYS A 15 10.189 -13.105 15.246 1.00 42.01 H new ATOM 191 N TRP A 16 17.223 -9.798 13.692 1.00 4.31 N ATOM 192 CA TRP A 16 18.486 -9.330 13.133 1.00 74.12 C ATOM 193 C TRP A 16 19.411 -8.819 14.232 1.00 12.21 C ATOM 194 O TRP A 16 20.585 -9.182 14.284 1.00 63.50 O ATOM 195 CB TRP A 16 18.233 -8.223 12.107 1.00 24.22 C ATOM 196 CG TRP A 16 19.488 -7.563 11.624 1.00 23.33 C ATOM 197 CD1 TRP A 16 20.063 -6.430 12.125 1.00 62.10 C ATOM 198 CD2 TRP A 16 20.323 -7.994 10.544 1.00 12.24 C ATOM 199 NE1 TRP A 16 21.205 -6.131 11.421 1.00 24.02 N ATOM 200 CE2 TRP A 16 21.386 -7.076 10.446 1.00 60.11 C ATOM 201 CE3 TRP A 16 20.276 -9.068 9.650 1.00 33.10 C ATOM 202 CZ2 TRP A 16 22.391 -7.200 9.490 1.00 44.31 C ATOM 203 CZ3 TRP A 16 21.274 -9.189 8.702 1.00 51.31 C ATOM 204 CH2 TRP A 16 22.321 -8.260 8.628 1.00 3.53 C ATOM 0 H TRP A 16 16.393 -9.397 13.256 1.00 4.31 H new ATOM 0 HA TRP A 16 18.971 -10.172 12.638 1.00 74.12 H new ATOM 0 HB2 TRP A 16 17.700 -8.643 11.254 1.00 24.22 H new ATOM 0 HB3 TRP A 16 17.582 -7.469 12.550 1.00 24.22 H new ATOM 0 HD1 TRP A 16 19.677 -5.854 12.953 1.00 62.10 H new ATOM 0 HE1 TRP A 16 21.818 -5.335 11.596 1.00 24.02 H new ATOM 0 HE3 TRP A 16 19.474 -9.790 9.699 1.00 33.10 H new ATOM 0 HZ2 TRP A 16 23.198 -6.484 9.431 1.00 44.31 H new ATOM 0 HZ3 TRP A 16 21.247 -10.014 8.006 1.00 51.31 H new ATOM 0 HH2 TRP A 16 23.087 -8.383 7.876 1.00 3.53 H new ATOM 215 N GLU A 17 18.874 -7.976 15.108 1.00 21.31 N ATOM 216 CA GLU A 17 19.654 -7.415 16.205 1.00 24.31 C ATOM 217 C GLU A 17 20.136 -8.515 17.147 1.00 30.54 C ATOM 218 O GLU A 17 21.148 -8.363 17.830 1.00 65.13 O ATOM 219 CB GLU A 17 18.822 -6.393 16.982 1.00 12.15 C ATOM 220 CG GLU A 17 19.007 -4.964 16.499 1.00 44.02 C ATOM 221 CD GLU A 17 18.847 -3.946 17.612 1.00 1.35 C ATOM 222 OE1 GLU A 17 18.300 -4.310 18.674 1.00 73.13 O ATOM 223 OE2 GLU A 17 19.268 -2.787 17.420 1.00 12.35 O ATOM 0 H GLU A 17 17.902 -7.667 15.080 1.00 21.31 H new ATOM 0 HA GLU A 17 20.525 -6.916 15.780 1.00 24.31 H new ATOM 0 HB2 GLU A 17 17.768 -6.660 16.904 1.00 12.15 H new ATOM 0 HB3 GLU A 17 19.088 -6.448 18.038 1.00 12.15 H new ATOM 0 HG2 GLU A 17 19.997 -4.860 16.056 1.00 44.02 H new ATOM 0 HG3 GLU A 17 18.282 -4.754 15.712 1.00 44.02 H new ATOM 230 N LYS A 18 19.405 -9.624 17.176 1.00 13.23 N ATOM 231 CA LYS A 18 19.756 -10.751 18.032 1.00 22.20 C ATOM 232 C LYS A 18 20.891 -11.565 17.420 1.00 23.34 C ATOM 233 O LYS A 18 21.840 -11.939 18.108 1.00 45.15 O ATOM 234 CB LYS A 18 18.536 -11.646 18.257 1.00 3.23 C ATOM 235 CG LYS A 18 18.491 -12.277 19.638 1.00 64.14 C ATOM 236 CD LYS A 18 17.867 -11.341 20.659 1.00 62.42 C ATOM 237 CE LYS A 18 17.914 -11.932 22.060 1.00 62.22 C ATOM 238 NZ LYS A 18 16.608 -12.528 22.454 1.00 72.13 N ATOM 0 H LYS A 18 18.565 -9.767 16.616 1.00 13.23 H new ATOM 0 HA LYS A 18 20.091 -10.357 18.991 1.00 22.20 H new ATOM 0 HB2 LYS A 18 17.631 -11.057 18.106 1.00 3.23 H new ATOM 0 HB3 LYS A 18 18.532 -12.436 17.506 1.00 3.23 H new ATOM 0 HG2 LYS A 18 17.920 -13.205 19.597 1.00 64.14 H new ATOM 0 HG3 LYS A 18 19.501 -12.538 19.953 1.00 64.14 H new ATOM 0 HD2 LYS A 18 18.393 -10.386 20.648 1.00 62.42 H new ATOM 0 HD3 LYS A 18 16.832 -11.138 20.383 1.00 62.42 H new ATOM 0 HE2 LYS A 18 18.690 -12.696 22.106 1.00 62.22 H new ATOM 0 HE3 LYS A 18 18.188 -11.155 22.773 1.00 62.22 H new ATOM 0 HZ1 LYS A 18 16.681 -12.920 23.415 1.00 72.13 H new ATOM 0 HZ2 LYS A 18 15.871 -11.794 22.435 1.00 72.13 H new ATOM 0 HZ3 LYS A 18 16.358 -13.287 21.788 1.00 72.13 H new ATOM 252 N ILE A 19 20.788 -11.834 16.123 1.00 22.22 N ATOM 253 CA ILE A 19 21.808 -12.602 15.418 1.00 11.31 C ATOM 254 C ILE A 19 23.197 -12.022 15.661 1.00 22.31 C ATOM 255 O ILE A 19 23.395 -10.809 15.597 1.00 35.11 O ATOM 256 CB ILE A 19 21.537 -12.640 13.903 1.00 2.23 C ATOM 257 CG1 ILE A 19 20.162 -13.250 13.623 1.00 32.02 C ATOM 258 CG2 ILE A 19 22.626 -13.428 13.190 1.00 70.14 C ATOM 259 CD1 ILE A 19 19.626 -12.927 12.246 1.00 74.11 C ATOM 0 H ILE A 19 20.009 -11.532 15.539 1.00 22.22 H new ATOM 0 HA ILE A 19 21.767 -13.618 15.811 1.00 11.31 H new ATOM 0 HB ILE A 19 21.545 -11.619 13.522 1.00 2.23 H new ATOM 0 HG12 ILE A 19 20.224 -14.332 13.735 1.00 32.02 H new ATOM 0 HG13 ILE A 19 19.456 -12.892 14.372 1.00 32.02 H new ATOM 0 HG21 ILE A 19 22.421 -13.446 12.120 1.00 70.14 H new ATOM 0 HG22 ILE A 19 23.592 -12.955 13.366 1.00 70.14 H new ATOM 0 HG23 ILE A 19 22.647 -14.448 13.573 1.00 70.14 H new ATOM 0 HD11 ILE A 19 18.649 -13.392 12.118 1.00 74.11 H new ATOM 0 HD12 ILE A 19 19.531 -11.847 12.137 1.00 74.11 H new ATOM 0 HD13 ILE A 19 20.312 -13.309 11.490 1.00 74.11 H new ATOM 271 N ARG A 20 24.157 -12.898 15.939 1.00 21.51 N ATOM 272 CA ARG A 20 25.529 -12.474 16.190 1.00 24.50 C ATOM 273 C ARG A 20 26.380 -12.611 14.931 1.00 33.32 C ATOM 274 O ARG A 20 26.075 -13.412 14.047 1.00 5.13 O ATOM 275 CB ARG A 20 26.141 -13.299 17.324 1.00 74.25 C ATOM 276 CG ARG A 20 25.264 -13.375 18.563 1.00 73.31 C ATOM 277 CD ARG A 20 26.095 -13.371 19.836 1.00 44.12 C ATOM 278 NE ARG A 20 25.384 -12.755 20.953 1.00 73.11 N ATOM 279 CZ ARG A 20 24.420 -13.363 21.636 1.00 72.43 C ATOM 280 NH1 ARG A 20 24.055 -14.597 21.318 1.00 22.31 N ATOM 281 NH2 ARG A 20 23.820 -12.736 22.639 1.00 42.41 N ATOM 0 H ARG A 20 24.010 -13.906 15.996 1.00 21.51 H new ATOM 0 HA ARG A 20 25.510 -11.424 16.482 1.00 24.50 H new ATOM 0 HB2 ARG A 20 26.335 -14.309 16.964 1.00 74.25 H new ATOM 0 HB3 ARG A 20 27.104 -12.868 17.597 1.00 74.25 H new ATOM 0 HG2 ARG A 20 24.575 -12.530 18.575 1.00 73.31 H new ATOM 0 HG3 ARG A 20 24.658 -14.280 18.526 1.00 73.31 H new ATOM 0 HD2 ARG A 20 26.362 -14.395 20.097 1.00 44.12 H new ATOM 0 HD3 ARG A 20 27.027 -12.833 19.659 1.00 44.12 H new ATOM 0 HE ARG A 20 25.642 -11.806 21.224 1.00 73.11 H new ATOM 0 HH11 ARG A 20 24.514 -15.082 20.547 1.00 22.31 H new ATOM 0 HH12 ARG A 20 23.315 -15.061 21.844 1.00 22.31 H new ATOM 0 HH21 ARG A 20 24.099 -11.786 22.886 1.00 42.41 H new ATOM 0 HH22 ARG A 20 23.080 -13.203 23.163 1.00 42.41 H new ATOM 295 N LEU A 21 27.448 -11.823 14.856 1.00 44.40 N ATOM 296 CA LEU A 21 28.344 -11.856 13.706 1.00 0.33 C ATOM 297 C LEU A 21 29.059 -13.200 13.610 1.00 40.43 C ATOM 298 O LEU A 21 29.464 -13.624 12.527 1.00 52.23 O ATOM 299 CB LEU A 21 29.369 -10.726 13.800 1.00 51.00 C ATOM 300 CG LEU A 21 28.828 -9.310 13.598 1.00 13.43 C ATOM 301 CD1 LEU A 21 29.938 -8.285 13.765 1.00 50.21 C ATOM 302 CD2 LEU A 21 28.180 -9.178 12.227 1.00 54.15 C ATOM 0 H LEU A 21 27.714 -11.154 15.578 1.00 44.40 H new ATOM 0 HA LEU A 21 27.744 -11.720 12.806 1.00 0.33 H new ATOM 0 HB2 LEU A 21 29.845 -10.775 14.779 1.00 51.00 H new ATOM 0 HB3 LEU A 21 30.147 -10.905 13.058 1.00 51.00 H new ATOM 0 HG LEU A 21 28.069 -9.120 14.357 1.00 13.43 H new ATOM 0 HD11 LEU A 21 29.534 -7.284 13.618 1.00 50.21 H new ATOM 0 HD12 LEU A 21 30.357 -8.363 14.768 1.00 50.21 H new ATOM 0 HD13 LEU A 21 30.720 -8.472 13.029 1.00 50.21 H new ATOM 0 HD21 LEU A 21 27.800 -8.164 12.100 1.00 54.15 H new ATOM 0 HD22 LEU A 21 28.919 -9.388 11.454 1.00 54.15 H new ATOM 0 HD23 LEU A 21 27.356 -9.887 12.144 1.00 54.15 H new ATOM 314 N ARG A 22 29.210 -13.867 14.750 1.00 52.43 N ATOM 315 CA ARG A 22 29.876 -15.163 14.795 1.00 14.30 C ATOM 316 C ARG A 22 29.230 -16.070 15.840 1.00 15.05 C ATOM 317 O ARG A 22 28.545 -15.614 16.755 1.00 43.14 O ATOM 318 CB ARG A 22 31.362 -14.986 15.108 1.00 3.14 C ATOM 319 CG ARG A 22 32.260 -15.117 13.888 1.00 62.10 C ATOM 320 CD ARG A 22 33.605 -15.729 14.250 1.00 72.54 C ATOM 321 NE ARG A 22 34.638 -15.396 13.273 1.00 51.21 N ATOM 322 CZ ARG A 22 34.767 -16.008 12.102 1.00 11.35 C ATOM 323 NH1 ARG A 22 33.931 -16.981 11.763 1.00 74.32 N ATOM 324 NH2 ARG A 22 35.733 -15.649 11.265 1.00 52.32 N ATOM 0 H ARG A 22 28.880 -13.531 15.655 1.00 52.43 H new ATOM 0 HA ARG A 22 29.771 -15.631 13.816 1.00 14.30 H new ATOM 0 HB2 ARG A 22 31.516 -14.005 15.558 1.00 3.14 H new ATOM 0 HB3 ARG A 22 31.660 -15.728 15.849 1.00 3.14 H new ATOM 0 HG2 ARG A 22 31.768 -15.735 13.137 1.00 62.10 H new ATOM 0 HG3 ARG A 22 32.414 -14.135 13.441 1.00 62.10 H new ATOM 0 HD2 ARG A 22 33.910 -15.376 15.235 1.00 72.54 H new ATOM 0 HD3 ARG A 22 33.504 -16.812 14.316 1.00 72.54 H new ATOM 0 HE ARG A 22 35.297 -14.652 13.503 1.00 51.21 H new ATOM 0 HH11 ARG A 22 33.187 -17.260 12.403 1.00 74.32 H new ATOM 0 HH12 ARG A 22 34.032 -17.450 10.863 1.00 74.32 H new ATOM 0 HH21 ARG A 22 36.378 -14.902 11.521 1.00 52.32 H new ATOM 0 HH22 ARG A 22 35.830 -16.121 10.366 1.00 52.32 H new ATOM 338 N PRO A 23 29.451 -17.386 15.699 1.00 35.33 N ATOM 339 CA PRO A 23 28.899 -18.383 16.620 1.00 3.02 C ATOM 340 C PRO A 23 29.549 -18.322 17.998 1.00 25.15 C ATOM 341 O PRO A 23 28.903 -18.583 19.012 1.00 21.33 O ATOM 342 CB PRO A 23 29.221 -19.714 15.935 1.00 22.32 C ATOM 343 CG PRO A 23 30.410 -19.424 15.085 1.00 24.22 C ATOM 344 CD PRO A 23 30.256 -18.000 14.630 1.00 74.22 C ATOM 0 HA PRO A 23 27.836 -18.227 16.801 1.00 3.02 H new ATOM 0 HB2 PRO A 23 29.437 -20.493 16.666 1.00 22.32 H new ATOM 0 HB3 PRO A 23 28.381 -20.064 15.335 1.00 22.32 H new ATOM 0 HG2 PRO A 23 31.334 -19.556 15.648 1.00 24.22 H new ATOM 0 HG3 PRO A 23 30.456 -20.103 14.234 1.00 24.22 H new ATOM 0 HD2 PRO A 23 31.222 -17.506 14.520 1.00 74.22 H new ATOM 0 HD3 PRO A 23 29.755 -17.939 13.664 1.00 74.22 H new ATOM 352 N GLY A 24 30.833 -17.975 18.027 1.00 54.14 N ATOM 353 CA GLY A 24 31.548 -17.885 19.287 1.00 11.34 C ATOM 354 C GLY A 24 31.868 -16.454 19.671 1.00 12.42 C ATOM 355 O GLY A 24 32.777 -16.205 20.461 1.00 24.34 O ATOM 0 H GLY A 24 31.390 -17.755 17.201 1.00 54.14 H new ATOM 0 HA2 GLY A 24 30.950 -18.344 20.074 1.00 11.34 H new ATOM 0 HA3 GLY A 24 32.474 -18.455 19.217 1.00 11.34 H new ATOM 359 N GLY A 25 31.118 -15.511 19.110 1.00 63.22 N ATOM 360 CA GLY A 25 31.343 -14.108 19.409 1.00 4.14 C ATOM 361 C GLY A 25 30.199 -13.491 20.188 1.00 34.54 C ATOM 362 O GLY A 25 29.212 -14.161 20.492 1.00 71.15 O ATOM 0 H GLY A 25 30.359 -15.693 18.454 1.00 63.22 H new ATOM 0 HA2 GLY A 25 32.265 -14.005 19.981 1.00 4.14 H new ATOM 0 HA3 GLY A 25 31.482 -13.559 18.478 1.00 4.14 H new ATOM 366 N LYS A 26 30.329 -12.209 20.510 1.00 63.21 N ATOM 367 CA LYS A 26 29.298 -11.499 21.258 1.00 61.44 C ATOM 368 C LYS A 26 28.736 -10.339 20.442 1.00 72.20 C ATOM 369 O LYS A 26 27.565 -9.984 20.575 1.00 33.42 O ATOM 370 CB LYS A 26 29.866 -10.977 22.580 1.00 43.43 C ATOM 371 CG LYS A 26 29.934 -12.033 23.671 1.00 15.41 C ATOM 372 CD LYS A 26 30.572 -11.486 24.937 1.00 40.21 C ATOM 373 CE LYS A 26 29.765 -11.856 26.172 1.00 45.23 C ATOM 374 NZ LYS A 26 30.636 -12.335 27.281 1.00 25.14 N ATOM 0 H LYS A 26 31.139 -11.640 20.265 1.00 63.21 H new ATOM 0 HA LYS A 26 28.489 -12.199 21.468 1.00 61.44 H new ATOM 0 HB2 LYS A 26 30.867 -10.582 22.405 1.00 43.43 H new ATOM 0 HB3 LYS A 26 29.251 -10.146 22.927 1.00 43.43 H new ATOM 0 HG2 LYS A 26 28.929 -12.392 23.894 1.00 15.41 H new ATOM 0 HG3 LYS A 26 30.506 -12.889 23.315 1.00 15.41 H new ATOM 0 HD2 LYS A 26 31.585 -11.876 25.033 1.00 40.21 H new ATOM 0 HD3 LYS A 26 30.653 -10.401 24.866 1.00 40.21 H new ATOM 0 HE2 LYS A 26 29.195 -10.989 26.506 1.00 45.23 H new ATOM 0 HE3 LYS A 26 29.044 -12.632 25.916 1.00 45.23 H new ATOM 0 HZ1 LYS A 26 30.048 -12.577 28.104 1.00 25.14 H new ATOM 0 HZ2 LYS A 26 31.161 -13.177 26.971 1.00 25.14 H new ATOM 0 HZ3 LYS A 26 31.308 -11.586 27.543 1.00 25.14 H new ATOM 388 N LYS A 27 29.577 -9.753 19.597 1.00 10.43 N ATOM 389 CA LYS A 27 29.164 -8.635 18.757 1.00 3.11 C ATOM 390 C LYS A 27 27.897 -8.978 17.980 1.00 21.02 C ATOM 391 O LYS A 27 27.943 -9.712 16.993 1.00 1.23 O ATOM 392 CB LYS A 27 30.285 -8.260 17.785 1.00 20.53 C ATOM 393 CG LYS A 27 30.411 -6.765 17.550 1.00 75.44 C ATOM 394 CD LYS A 27 31.015 -6.462 16.190 1.00 31.02 C ATOM 395 CE LYS A 27 31.998 -5.304 16.262 1.00 31.43 C ATOM 396 NZ LYS A 27 32.129 -4.605 14.952 1.00 55.45 N ATOM 0 H LYS A 27 30.550 -10.034 19.476 1.00 10.43 H new ATOM 0 HA LYS A 27 28.953 -7.784 19.405 1.00 3.11 H new ATOM 0 HB2 LYS A 27 31.231 -8.640 18.171 1.00 20.53 H new ATOM 0 HB3 LYS A 27 30.108 -8.756 16.831 1.00 20.53 H new ATOM 0 HG2 LYS A 27 29.428 -6.300 17.624 1.00 75.44 H new ATOM 0 HG3 LYS A 27 31.031 -6.324 18.331 1.00 75.44 H new ATOM 0 HD2 LYS A 27 31.523 -7.349 15.811 1.00 31.02 H new ATOM 0 HD3 LYS A 27 30.221 -6.223 15.483 1.00 31.02 H new ATOM 0 HE2 LYS A 27 31.668 -4.594 17.021 1.00 31.43 H new ATOM 0 HE3 LYS A 27 32.974 -5.675 16.575 1.00 31.43 H new ATOM 0 HZ1 LYS A 27 32.808 -3.822 15.043 1.00 55.45 H new ATOM 0 HZ2 LYS A 27 32.468 -5.276 14.233 1.00 55.45 H new ATOM 0 HZ3 LYS A 27 31.203 -4.229 14.665 1.00 55.45 H new ATOM 410 N GLN A 28 26.768 -8.441 18.431 1.00 61.32 N ATOM 411 CA GLN A 28 25.489 -8.690 17.776 1.00 71.00 C ATOM 412 C GLN A 28 25.379 -7.898 16.477 1.00 53.01 C ATOM 413 O GLN A 28 26.173 -6.993 16.221 1.00 65.34 O ATOM 414 CB GLN A 28 24.334 -8.323 18.710 1.00 41.11 C ATOM 415 CG GLN A 28 24.515 -8.835 20.131 1.00 13.02 C ATOM 416 CD GLN A 28 24.869 -7.732 21.108 1.00 64.53 C ATOM 417 OE1 GLN A 28 24.227 -6.682 21.137 1.00 31.41 O ATOM 418 NE2 GLN A 28 25.897 -7.965 21.916 1.00 30.41 N ATOM 0 H GLN A 28 26.713 -7.831 19.247 1.00 61.32 H new ATOM 0 HA GLN A 28 25.432 -9.752 17.538 1.00 71.00 H new ATOM 0 HB2 GLN A 28 24.228 -7.238 18.734 1.00 41.11 H new ATOM 0 HB3 GLN A 28 23.406 -8.725 18.303 1.00 41.11 H new ATOM 0 HG2 GLN A 28 23.596 -9.323 20.457 1.00 13.02 H new ATOM 0 HG3 GLN A 28 25.300 -9.592 20.143 1.00 13.02 H new ATOM 0 HE21 GLN A 28 26.401 -8.850 21.858 1.00 30.41 H new ATOM 0 HE22 GLN A 28 26.182 -7.259 22.595 1.00 30.41 H new ATOM 427 N TYR A 29 24.390 -8.244 15.662 1.00 3.04 N ATOM 428 CA TYR A 29 24.177 -7.568 14.388 1.00 2.04 C ATOM 429 C TYR A 29 23.449 -6.243 14.589 1.00 35.12 C ATOM 430 O TYR A 29 22.644 -6.096 15.508 1.00 43.35 O ATOM 431 CB TYR A 29 23.379 -8.463 13.438 1.00 0.02 C ATOM 432 CG TYR A 29 24.231 -9.160 12.403 1.00 5.02 C ATOM 433 CD1 TYR A 29 24.712 -8.475 11.294 1.00 24.24 C ATOM 434 CD2 TYR A 29 24.555 -10.505 12.532 1.00 44.33 C ATOM 435 CE1 TYR A 29 25.491 -9.109 10.344 1.00 62.23 C ATOM 436 CE2 TYR A 29 25.335 -11.146 11.588 1.00 43.54 C ATOM 437 CZ TYR A 29 25.800 -10.445 10.497 1.00 33.41 C ATOM 438 OH TYR A 29 26.576 -11.080 9.555 1.00 30.12 O ATOM 0 H TYR A 29 23.722 -8.989 15.861 1.00 3.04 H new ATOM 0 HA TYR A 29 25.153 -7.362 13.948 1.00 2.04 H new ATOM 0 HB2 TYR A 29 22.845 -9.213 14.022 1.00 0.02 H new ATOM 0 HB3 TYR A 29 22.627 -7.860 12.930 1.00 0.02 H new ATOM 0 HD1 TYR A 29 24.473 -7.429 11.172 1.00 24.24 H new ATOM 0 HD2 TYR A 29 24.191 -11.059 13.385 1.00 44.33 H new ATOM 0 HE1 TYR A 29 25.856 -8.562 9.487 1.00 62.23 H new ATOM 0 HE2 TYR A 29 25.579 -12.192 11.705 1.00 43.54 H new ATOM 0 HH TYR A 29 26.895 -11.934 9.916 1.00 30.12 H new ATOM 448 N LYS A 30 23.737 -5.279 13.721 1.00 31.04 N ATOM 449 CA LYS A 30 23.110 -3.966 13.799 1.00 72.42 C ATOM 450 C LYS A 30 22.943 -3.358 12.410 1.00 43.15 C ATOM 451 O LYS A 30 23.533 -3.834 11.439 1.00 33.11 O ATOM 452 CB LYS A 30 23.944 -3.031 14.680 1.00 12.23 C ATOM 453 CG LYS A 30 23.578 -3.098 16.153 1.00 22.45 C ATOM 454 CD LYS A 30 24.328 -2.052 16.960 1.00 71.53 C ATOM 455 CE LYS A 30 24.717 -2.579 18.333 1.00 10.33 C ATOM 456 NZ LYS A 30 25.862 -3.528 18.258 1.00 10.20 N ATOM 0 H LYS A 30 24.402 -5.383 12.954 1.00 31.04 H new ATOM 0 HA LYS A 30 22.122 -4.089 14.243 1.00 72.42 H new ATOM 0 HB2 LYS A 30 24.999 -3.281 14.564 1.00 12.23 H new ATOM 0 HB3 LYS A 30 23.819 -2.007 14.329 1.00 12.23 H new ATOM 0 HG2 LYS A 30 22.505 -2.949 16.270 1.00 22.45 H new ATOM 0 HG3 LYS A 30 23.806 -4.091 16.541 1.00 22.45 H new ATOM 0 HD2 LYS A 30 25.224 -1.747 16.419 1.00 71.53 H new ATOM 0 HD3 LYS A 30 23.706 -1.164 17.073 1.00 71.53 H new ATOM 0 HE2 LYS A 30 24.980 -1.743 18.982 1.00 10.33 H new ATOM 0 HE3 LYS A 30 23.861 -3.078 18.787 1.00 10.33 H new ATOM 0 HZ1 LYS A 30 25.855 -4.147 19.093 1.00 10.20 H new ATOM 0 HZ2 LYS A 30 25.778 -4.106 17.398 1.00 10.20 H new ATOM 0 HZ3 LYS A 30 26.754 -2.994 18.230 1.00 10.20 H new ATOM 470 N LEU A 31 22.140 -2.304 12.323 1.00 10.13 N ATOM 471 CA LEU A 31 21.897 -1.630 11.053 1.00 23.24 C ATOM 472 C LEU A 31 23.212 -1.253 10.376 1.00 1.01 C ATOM 473 O LEU A 31 23.299 -1.200 9.150 1.00 22.24 O ATOM 474 CB LEU A 31 21.046 -0.378 11.271 1.00 11.43 C ATOM 475 CG LEU A 31 19.536 -0.599 11.353 1.00 52.41 C ATOM 476 CD1 LEU A 31 18.896 0.422 12.281 1.00 11.42 C ATOM 477 CD2 LEU A 31 18.910 -0.530 9.967 1.00 75.43 C ATOM 0 H LEU A 31 21.646 -1.897 13.117 1.00 10.13 H new ATOM 0 HA LEU A 31 21.358 -2.319 10.402 1.00 23.24 H new ATOM 0 HB2 LEU A 31 21.373 0.103 12.193 1.00 11.43 H new ATOM 0 HB3 LEU A 31 21.247 0.320 10.458 1.00 11.43 H new ATOM 0 HG LEU A 31 19.356 -1.593 11.762 1.00 52.41 H new ATOM 0 HD11 LEU A 31 17.821 0.249 12.327 1.00 11.42 H new ATOM 0 HD12 LEU A 31 19.322 0.324 13.279 1.00 11.42 H new ATOM 0 HD13 LEU A 31 19.086 1.427 11.903 1.00 11.42 H new ATOM 0 HD21 LEU A 31 17.835 -0.690 10.045 1.00 75.43 H new ATOM 0 HD22 LEU A 31 19.101 0.450 9.530 1.00 75.43 H new ATOM 0 HD23 LEU A 31 19.346 -1.301 9.332 1.00 75.43 H new ATOM 489 N LYS A 32 24.234 -0.994 11.184 1.00 51.35 N ATOM 490 CA LYS A 32 25.545 -0.625 10.666 1.00 24.13 C ATOM 491 C LYS A 32 26.021 -1.632 9.623 1.00 12.45 C ATOM 492 O LYS A 32 26.648 -1.262 8.630 1.00 2.54 O ATOM 493 CB LYS A 32 26.562 -0.540 11.807 1.00 74.13 C ATOM 494 CG LYS A 32 26.466 0.745 12.612 1.00 42.12 C ATOM 495 CD LYS A 32 27.303 1.852 11.996 1.00 61.42 C ATOM 496 CE LYS A 32 27.814 2.818 13.053 1.00 65.54 C ATOM 497 NZ LYS A 32 29.004 2.278 13.770 1.00 55.50 N ATOM 0 H LYS A 32 24.179 -1.033 12.202 1.00 51.35 H new ATOM 0 HA LYS A 32 25.458 0.352 10.191 1.00 24.13 H new ATOM 0 HB2 LYS A 32 26.418 -1.389 12.475 1.00 74.13 H new ATOM 0 HB3 LYS A 32 27.567 -0.626 11.394 1.00 74.13 H new ATOM 0 HG2 LYS A 32 25.425 1.063 12.668 1.00 42.12 H new ATOM 0 HG3 LYS A 32 26.799 0.561 13.633 1.00 42.12 H new ATOM 0 HD2 LYS A 32 28.147 1.417 11.461 1.00 61.42 H new ATOM 0 HD3 LYS A 32 26.707 2.395 11.263 1.00 61.42 H new ATOM 0 HE2 LYS A 32 28.073 3.767 12.583 1.00 65.54 H new ATOM 0 HE3 LYS A 32 27.020 3.024 13.771 1.00 65.54 H new ATOM 0 HZ1 LYS A 32 29.322 2.966 14.482 1.00 55.50 H new ATOM 0 HZ2 LYS A 32 28.751 1.385 14.240 1.00 55.50 H new ATOM 0 HZ3 LYS A 32 29.771 2.105 13.089 1.00 55.50 H new ATOM 511 N HIS A 33 25.717 -2.905 9.854 1.00 33.24 N ATOM 512 CA HIS A 33 26.110 -3.965 8.932 1.00 41.43 C ATOM 513 C HIS A 33 25.201 -3.985 7.706 1.00 72.23 C ATOM 514 O HIS A 33 25.702 -4.333 6.636 1.00 53.25 O ATOM 515 CB HIS A 33 26.067 -5.324 9.634 1.00 70.13 C ATOM 516 CG HIS A 33 26.738 -5.326 10.973 1.00 5.42 C ATOM 517 ND1 HIS A 33 26.144 -5.827 12.112 1.00 73.30 N ATOM 518 CD2 HIS A 33 27.962 -4.889 11.350 1.00 0.20 C ATOM 519 CE1 HIS A 33 26.973 -5.694 13.132 1.00 40.41 C ATOM 520 NE2 HIS A 33 28.084 -5.129 12.696 1.00 52.43 N ATOM 0 H HIS A 33 25.200 -3.228 10.672 1.00 33.24 H new ATOM 0 HA HIS A 33 27.130 -3.766 8.604 1.00 41.43 H new ATOM 0 HB2 HIS A 33 25.027 -5.628 9.757 1.00 70.13 H new ATOM 0 HB3 HIS A 33 26.544 -6.069 8.996 1.00 70.13 H new ATOM 0 HD2 HIS A 33 28.705 -4.436 10.711 1.00 0.20 H new ATOM 0 HE1 HIS A 33 26.776 -5.996 14.150 1.00 40.41 H new ATOM 0 HE2 HIS A 33 28.900 -4.907 13.266 1.00 52.43 H new ATOM 528 N ILE A 34 23.926 -3.632 7.828 1.00 52.13 N ATOM 529 CA ILE A 34 23.021 -3.634 6.686 1.00 31.31 C ATOM 530 C ILE A 34 23.369 -2.517 5.707 1.00 2.33 C ATOM 531 O ILE A 34 23.276 -2.691 4.492 1.00 20.34 O ATOM 532 CB ILE A 34 21.555 -3.473 7.129 1.00 33.10 C ATOM 533 CG1 ILE A 34 21.170 -4.586 8.106 1.00 11.20 C ATOM 534 CG2 ILE A 34 20.632 -3.480 5.919 1.00 50.53 C ATOM 535 CD1 ILE A 34 19.897 -4.303 8.873 1.00 40.31 C ATOM 0 H ILE A 34 23.497 -3.341 8.706 1.00 52.13 H new ATOM 0 HA ILE A 34 23.139 -4.598 6.192 1.00 31.31 H new ATOM 0 HB ILE A 34 21.447 -2.515 7.638 1.00 33.10 H new ATOM 0 HG12 ILE A 34 21.052 -5.518 7.554 1.00 11.20 H new ATOM 0 HG13 ILE A 34 21.985 -4.735 8.814 1.00 11.20 H new ATOM 0 HG21 ILE A 34 19.599 -3.365 6.248 1.00 50.53 H new ATOM 0 HG22 ILE A 34 20.895 -2.656 5.256 1.00 50.53 H new ATOM 0 HG23 ILE A 34 20.740 -4.424 5.385 1.00 50.53 H new ATOM 0 HD11 ILE A 34 19.685 -5.134 9.546 1.00 40.31 H new ATOM 0 HD12 ILE A 34 20.017 -3.388 9.453 1.00 40.31 H new ATOM 0 HD13 ILE A 34 19.070 -4.183 8.173 1.00 40.31 H new ATOM 547 N VAL A 35 23.773 -1.371 6.244 1.00 52.25 N ATOM 548 CA VAL A 35 24.139 -0.226 5.419 1.00 55.31 C ATOM 549 C VAL A 35 25.548 -0.380 4.860 1.00 42.10 C ATOM 550 O VAL A 35 25.818 -0.004 3.720 1.00 21.45 O ATOM 551 CB VAL A 35 24.054 1.090 6.215 1.00 23.21 C ATOM 552 CG1 VAL A 35 24.471 2.267 5.347 1.00 61.11 C ATOM 553 CG2 VAL A 35 22.649 1.292 6.763 1.00 21.50 C ATOM 0 H VAL A 35 23.855 -1.210 7.248 1.00 52.25 H new ATOM 0 HA VAL A 35 23.427 -0.189 4.595 1.00 55.31 H new ATOM 0 HB VAL A 35 24.742 1.029 7.058 1.00 23.21 H new ATOM 0 HG11 VAL A 35 24.405 3.188 5.926 1.00 61.11 H new ATOM 0 HG12 VAL A 35 25.497 2.124 5.009 1.00 61.11 H new ATOM 0 HG13 VAL A 35 23.810 2.334 4.483 1.00 61.11 H new ATOM 0 HG21 VAL A 35 22.608 2.227 7.323 1.00 21.50 H new ATOM 0 HG22 VAL A 35 21.939 1.332 5.937 1.00 21.50 H new ATOM 0 HG23 VAL A 35 22.393 0.463 7.422 1.00 21.50 H new ATOM 563 N TRP A 36 26.442 -0.935 5.670 1.00 11.20 N ATOM 564 CA TRP A 36 27.825 -1.139 5.255 1.00 25.01 C ATOM 565 C TRP A 36 27.894 -1.963 3.974 1.00 42.32 C ATOM 566 O TRP A 36 28.777 -1.761 3.141 1.00 43.41 O ATOM 567 CB TRP A 36 28.615 -1.834 6.366 1.00 31.11 C ATOM 568 CG TRP A 36 29.998 -2.235 5.951 1.00 61.32 C ATOM 569 CD1 TRP A 36 31.160 -1.569 6.219 1.00 22.43 C ATOM 570 CD2 TRP A 36 30.363 -3.392 5.191 1.00 11.52 C ATOM 571 NE1 TRP A 36 32.225 -2.243 5.671 1.00 61.23 N ATOM 572 CE2 TRP A 36 31.763 -3.365 5.037 1.00 34.03 C ATOM 573 CE3 TRP A 36 29.644 -4.450 4.628 1.00 31.01 C ATOM 574 CZ2 TRP A 36 32.454 -4.354 4.342 1.00 63.31 C ATOM 575 CZ3 TRP A 36 30.331 -5.431 3.939 1.00 72.02 C ATOM 576 CH2 TRP A 36 31.725 -5.377 3.801 1.00 40.51 C ATOM 0 H TRP A 36 26.234 -1.252 6.617 1.00 11.20 H new ATOM 0 HA TRP A 36 28.267 -0.162 5.060 1.00 25.01 H new ATOM 0 HB2 TRP A 36 28.681 -1.168 7.226 1.00 31.11 H new ATOM 0 HB3 TRP A 36 28.069 -2.720 6.690 1.00 31.11 H new ATOM 0 HD1 TRP A 36 31.231 -0.648 6.779 1.00 22.43 H new ATOM 0 HE1 TRP A 36 33.202 -1.954 5.728 1.00 61.23 H new ATOM 0 HE3 TRP A 36 28.570 -4.500 4.730 1.00 31.01 H new ATOM 0 HZ2 TRP A 36 33.528 -4.315 4.234 1.00 63.31 H new ATOM 0 HZ3 TRP A 36 29.785 -6.253 3.500 1.00 72.02 H new ATOM 0 HH2 TRP A 36 32.234 -6.159 3.257 1.00 40.51 H new ATOM 587 N ALA A 37 26.957 -2.893 3.824 1.00 2.40 N ATOM 588 CA ALA A 37 26.911 -3.747 2.643 1.00 0.42 C ATOM 589 C ALA A 37 26.215 -3.042 1.483 1.00 43.01 C ATOM 590 O ALA A 37 26.522 -3.293 0.318 1.00 31.20 O ATOM 591 CB ALA A 37 26.206 -5.056 2.965 1.00 44.24 C ATOM 0 H ALA A 37 26.220 -3.074 4.505 1.00 2.40 H new ATOM 0 HA ALA A 37 27.936 -3.963 2.342 1.00 0.42 H new ATOM 0 HB1 ALA A 37 26.179 -5.683 2.074 1.00 44.24 H new ATOM 0 HB2 ALA A 37 26.745 -5.574 3.758 1.00 44.24 H new ATOM 0 HB3 ALA A 37 25.188 -4.849 3.294 1.00 44.24 H new ATOM 597 N SER A 38 25.277 -2.159 1.811 1.00 3.15 N ATOM 598 CA SER A 38 24.534 -1.421 0.795 1.00 64.31 C ATOM 599 C SER A 38 25.453 -0.468 0.037 1.00 12.12 C ATOM 600 O SER A 38 25.383 -0.365 -1.188 1.00 21.24 O ATOM 601 CB SER A 38 23.388 -0.638 1.440 1.00 2.24 C ATOM 602 OG SER A 38 23.830 0.627 1.900 1.00 3.20 O ATOM 0 H SER A 38 25.013 -1.937 2.771 1.00 3.15 H new ATOM 0 HA SER A 38 24.120 -2.140 0.087 1.00 64.31 H new ATOM 0 HB2 SER A 38 22.583 -0.505 0.718 1.00 2.24 H new ATOM 0 HB3 SER A 38 22.978 -1.208 2.273 1.00 2.24 H new ATOM 0 HG SER A 38 24.499 0.503 2.606 1.00 3.20 H new ATOM 608 N ARG A 39 26.314 0.226 0.773 1.00 54.22 N ATOM 609 CA ARG A 39 27.245 1.173 0.172 1.00 15.04 C ATOM 610 C ARG A 39 28.334 0.442 -0.609 1.00 51.23 C ATOM 611 O ARG A 39 28.897 0.981 -1.560 1.00 34.21 O ATOM 612 CB ARG A 39 27.880 2.053 1.250 1.00 12.53 C ATOM 613 CG ARG A 39 27.183 3.392 1.431 1.00 41.21 C ATOM 614 CD ARG A 39 25.707 3.213 1.751 1.00 35.31 C ATOM 615 NE ARG A 39 24.872 3.314 0.557 1.00 51.04 N ATOM 616 CZ ARG A 39 23.567 3.558 0.592 1.00 74.04 C ATOM 617 NH1 ARG A 39 22.951 3.727 1.755 1.00 23.34 N ATOM 618 NH2 ARG A 39 22.874 3.636 -0.538 1.00 40.20 N ATOM 0 H ARG A 39 26.386 0.150 1.788 1.00 54.22 H new ATOM 0 HA ARG A 39 26.686 1.804 -0.519 1.00 15.04 H new ATOM 0 HB2 ARG A 39 27.869 1.516 2.198 1.00 12.53 H new ATOM 0 HB3 ARG A 39 28.925 2.228 0.995 1.00 12.53 H new ATOM 0 HG2 ARG A 39 27.666 3.949 2.234 1.00 41.21 H new ATOM 0 HG3 ARG A 39 27.290 3.985 0.523 1.00 41.21 H new ATOM 0 HD2 ARG A 39 25.553 2.241 2.220 1.00 35.31 H new ATOM 0 HD3 ARG A 39 25.399 3.968 2.474 1.00 35.31 H new ATOM 0 HE ARG A 39 25.315 3.190 -0.353 1.00 51.04 H new ATOM 0 HH11 ARG A 39 23.480 3.670 2.625 1.00 23.34 H new ATOM 0 HH12 ARG A 39 21.949 3.914 1.779 1.00 23.34 H new ATOM 0 HH21 ARG A 39 23.344 3.508 -1.434 1.00 40.20 H new ATOM 0 HH22 ARG A 39 21.872 3.823 -0.510 1.00 40.20 H new ATOM 632 N GLU A 40 28.625 -0.788 -0.197 1.00 21.22 N ATOM 633 CA GLU A 40 29.647 -1.592 -0.858 1.00 43.34 C ATOM 634 C GLU A 40 29.072 -2.312 -2.074 1.00 74.00 C ATOM 635 O GLU A 40 29.795 -2.636 -3.017 1.00 71.54 O ATOM 636 CB GLU A 40 30.237 -2.611 0.120 1.00 51.22 C ATOM 637 CG GLU A 40 31.635 -3.074 -0.253 1.00 43.44 C ATOM 638 CD GLU A 40 32.719 -2.283 0.452 1.00 22.11 C ATOM 639 OE1 GLU A 40 32.575 -2.027 1.666 1.00 14.41 O ATOM 640 OE2 GLU A 40 33.714 -1.919 -0.210 1.00 35.04 O ATOM 0 H GLU A 40 28.168 -1.249 0.590 1.00 21.22 H new ATOM 0 HA GLU A 40 30.438 -0.922 -1.195 1.00 43.34 H new ATOM 0 HB2 GLU A 40 30.263 -2.172 1.117 1.00 51.22 H new ATOM 0 HB3 GLU A 40 29.578 -3.478 0.170 1.00 51.22 H new ATOM 0 HG2 GLU A 40 31.742 -4.130 -0.006 1.00 43.44 H new ATOM 0 HG3 GLU A 40 31.768 -2.984 -1.331 1.00 43.44 H new ATOM 647 N LEU A 41 27.768 -2.561 -2.044 1.00 33.43 N ATOM 648 CA LEU A 41 27.093 -3.243 -3.144 1.00 64.43 C ATOM 649 C LEU A 41 27.024 -2.349 -4.379 1.00 53.25 C ATOM 650 O LEU A 41 27.359 -2.774 -5.483 1.00 64.13 O ATOM 651 CB LEU A 41 25.684 -3.661 -2.723 1.00 53.32 C ATOM 652 CG LEU A 41 25.520 -5.113 -2.273 1.00 24.14 C ATOM 653 CD1 LEU A 41 24.086 -5.381 -1.845 1.00 22.23 C ATOM 654 CD2 LEU A 41 25.934 -6.065 -3.387 1.00 4.30 C ATOM 0 H LEU A 41 27.156 -2.301 -1.270 1.00 33.43 H new ATOM 0 HA LEU A 41 27.669 -4.134 -3.395 1.00 64.43 H new ATOM 0 HB2 LEU A 41 25.362 -3.011 -1.909 1.00 53.32 H new ATOM 0 HB3 LEU A 41 25.009 -3.483 -3.560 1.00 53.32 H new ATOM 0 HG LEU A 41 26.170 -5.284 -1.415 1.00 24.14 H new ATOM 0 HD11 LEU A 41 23.989 -6.419 -1.528 1.00 22.23 H new ATOM 0 HD12 LEU A 41 23.825 -4.723 -1.016 1.00 22.23 H new ATOM 0 HD13 LEU A 41 23.415 -5.193 -2.683 1.00 22.23 H new ATOM 0 HD21 LEU A 41 25.811 -7.094 -3.050 1.00 4.30 H new ATOM 0 HD22 LEU A 41 25.309 -5.893 -4.264 1.00 4.30 H new ATOM 0 HD23 LEU A 41 26.978 -5.890 -3.646 1.00 4.30 H new ATOM 666 N GLU A 42 26.589 -1.109 -4.181 1.00 34.11 N ATOM 667 CA GLU A 42 26.477 -0.155 -5.278 1.00 20.43 C ATOM 668 C GLU A 42 27.813 0.002 -6.000 1.00 72.52 C ATOM 669 O GLU A 42 27.855 0.355 -7.180 1.00 64.15 O ATOM 670 CB GLU A 42 26.004 1.203 -4.757 1.00 21.35 C ATOM 671 CG GLU A 42 26.069 2.310 -5.796 1.00 0.13 C ATOM 672 CD GLU A 42 25.161 3.478 -5.463 1.00 63.24 C ATOM 673 OE1 GLU A 42 24.186 3.276 -4.710 1.00 13.03 O ATOM 674 OE2 GLU A 42 25.427 4.595 -5.954 1.00 30.53 O ATOM 0 H GLU A 42 26.308 -0.742 -3.272 1.00 34.11 H new ATOM 0 HA GLU A 42 25.743 -0.539 -5.986 1.00 20.43 H new ATOM 0 HB2 GLU A 42 24.978 1.109 -4.402 1.00 21.35 H new ATOM 0 HB3 GLU A 42 26.613 1.486 -3.899 1.00 21.35 H new ATOM 0 HG2 GLU A 42 27.096 2.665 -5.879 1.00 0.13 H new ATOM 0 HG3 GLU A 42 25.792 1.906 -6.770 1.00 0.13 H new ATOM 681 N ARG A 43 28.901 -0.261 -5.283 1.00 31.41 N ATOM 682 CA ARG A 43 30.238 -0.147 -5.855 1.00 41.34 C ATOM 683 C ARG A 43 30.513 -1.292 -6.825 1.00 4.11 C ATOM 684 O ARG A 43 31.319 -1.158 -7.746 1.00 72.41 O ATOM 685 CB ARG A 43 31.290 -0.141 -4.744 1.00 62.34 C ATOM 686 CG ARG A 43 32.651 0.364 -5.198 1.00 11.41 C ATOM 687 CD ARG A 43 33.763 -0.147 -4.295 1.00 33.25 C ATOM 688 NE ARG A 43 34.416 -1.331 -4.849 1.00 61.44 N ATOM 689 CZ ARG A 43 35.187 -1.306 -5.930 1.00 21.52 C ATOM 690 NH1 ARG A 43 35.401 -0.165 -6.571 1.00 33.12 N ATOM 691 NH2 ARG A 43 35.747 -2.425 -6.374 1.00 44.35 N ATOM 0 H ARG A 43 28.883 -0.554 -4.306 1.00 31.41 H new ATOM 0 HA ARG A 43 30.294 0.793 -6.405 1.00 41.34 H new ATOM 0 HB2 ARG A 43 30.936 0.482 -3.923 1.00 62.34 H new ATOM 0 HB3 ARG A 43 31.399 -1.152 -4.353 1.00 62.34 H new ATOM 0 HG2 ARG A 43 32.836 0.043 -6.223 1.00 11.41 H new ATOM 0 HG3 ARG A 43 32.654 1.454 -5.200 1.00 11.41 H new ATOM 0 HD2 ARG A 43 34.503 0.640 -4.149 1.00 33.25 H new ATOM 0 HD3 ARG A 43 33.353 -0.385 -3.313 1.00 33.25 H new ATOM 0 HE ARG A 43 34.272 -2.225 -4.380 1.00 61.44 H new ATOM 0 HH11 ARG A 43 34.973 0.697 -6.234 1.00 33.12 H new ATOM 0 HH12 ARG A 43 35.994 -0.150 -7.401 1.00 33.12 H new ATOM 0 HH21 ARG A 43 35.585 -3.305 -5.885 1.00 44.35 H new ATOM 0 HH22 ARG A 43 36.339 -2.404 -7.204 1.00 44.35 H new ATOM 705 N PHE A 44 29.840 -2.417 -6.612 1.00 41.44 N ATOM 706 CA PHE A 44 30.014 -3.586 -7.465 1.00 0.24 C ATOM 707 C PHE A 44 28.938 -3.635 -8.547 1.00 54.35 C ATOM 708 O PHE A 44 28.567 -4.709 -9.020 1.00 75.22 O ATOM 709 CB PHE A 44 29.971 -4.867 -6.629 1.00 53.11 C ATOM 710 CG PHE A 44 31.158 -5.033 -5.725 1.00 65.43 C ATOM 711 CD1 PHE A 44 32.443 -5.059 -6.245 1.00 64.24 C ATOM 712 CD2 PHE A 44 30.991 -5.162 -4.356 1.00 22.24 C ATOM 713 CE1 PHE A 44 33.538 -5.213 -5.416 1.00 75.13 C ATOM 714 CE2 PHE A 44 32.083 -5.315 -3.522 1.00 50.32 C ATOM 715 CZ PHE A 44 33.358 -5.340 -4.052 1.00 53.22 C ATOM 0 H PHE A 44 29.168 -2.544 -5.855 1.00 41.44 H new ATOM 0 HA PHE A 44 30.988 -3.509 -7.948 1.00 0.24 H new ATOM 0 HB2 PHE A 44 29.063 -4.868 -6.026 1.00 53.11 H new ATOM 0 HB3 PHE A 44 29.911 -5.726 -7.298 1.00 53.11 H new ATOM 0 HD1 PHE A 44 32.590 -4.958 -7.310 1.00 64.24 H new ATOM 0 HD2 PHE A 44 29.996 -5.143 -3.935 1.00 22.24 H new ATOM 0 HE1 PHE A 44 34.534 -5.234 -5.834 1.00 75.13 H new ATOM 0 HE2 PHE A 44 31.939 -5.415 -2.456 1.00 50.32 H new ATOM 0 HZ PHE A 44 34.212 -5.459 -3.402 1.00 53.22 H new ATOM 725 N ALA A 45 28.440 -2.464 -8.930 1.00 40.31 N ATOM 726 CA ALA A 45 27.408 -2.372 -9.956 1.00 70.05 C ATOM 727 C ALA A 45 26.119 -3.047 -9.499 1.00 25.31 C ATOM 728 O ALA A 45 25.276 -3.415 -10.317 1.00 11.01 O ATOM 729 CB ALA A 45 27.899 -2.990 -11.256 1.00 70.11 C ATOM 0 H ALA A 45 28.734 -1.566 -8.546 1.00 40.31 H new ATOM 0 HA ALA A 45 27.194 -1.317 -10.128 1.00 70.05 H new ATOM 0 HB1 ALA A 45 27.118 -2.914 -12.013 1.00 70.11 H new ATOM 0 HB2 ALA A 45 28.788 -2.460 -11.598 1.00 70.11 H new ATOM 0 HB3 ALA A 45 28.143 -4.039 -11.091 1.00 70.11 H new ATOM 735 N VAL A 46 25.973 -3.209 -8.188 1.00 73.34 N ATOM 736 CA VAL A 46 24.787 -3.839 -7.622 1.00 3.14 C ATOM 737 C VAL A 46 24.034 -2.878 -6.710 1.00 0.32 C ATOM 738 O VAL A 46 24.542 -2.470 -5.667 1.00 45.33 O ATOM 739 CB VAL A 46 25.150 -5.107 -6.826 1.00 25.21 C ATOM 740 CG1 VAL A 46 23.905 -5.727 -6.211 1.00 61.24 C ATOM 741 CG2 VAL A 46 25.870 -6.108 -7.718 1.00 74.02 C ATOM 0 H VAL A 46 26.662 -2.912 -7.497 1.00 73.34 H new ATOM 0 HA VAL A 46 24.147 -4.115 -8.460 1.00 3.14 H new ATOM 0 HB VAL A 46 25.824 -4.826 -6.016 1.00 25.21 H new ATOM 0 HG11 VAL A 46 24.182 -6.621 -5.653 1.00 61.24 H new ATOM 0 HG12 VAL A 46 23.436 -5.010 -5.538 1.00 61.24 H new ATOM 0 HG13 VAL A 46 23.204 -5.995 -7.001 1.00 61.24 H new ATOM 0 HG21 VAL A 46 26.119 -6.998 -7.139 1.00 74.02 H new ATOM 0 HG22 VAL A 46 25.223 -6.386 -8.550 1.00 74.02 H new ATOM 0 HG23 VAL A 46 26.785 -5.659 -8.104 1.00 74.02 H new ATOM 751 N ASN A 47 22.818 -2.519 -7.111 1.00 64.53 N ATOM 752 CA ASN A 47 21.995 -1.604 -6.329 1.00 0.02 C ATOM 753 C ASN A 47 21.654 -2.206 -4.970 1.00 1.42 C ATOM 754 O ASN A 47 21.448 -3.412 -4.831 1.00 21.14 O ATOM 755 CB ASN A 47 20.710 -1.266 -7.088 1.00 10.32 C ATOM 756 CG ASN A 47 20.767 0.100 -7.742 1.00 75.21 C ATOM 757 OD1 ASN A 47 21.153 1.086 -7.114 1.00 1.21 O ATOM 758 ND2 ASN A 47 20.381 0.165 -9.012 1.00 75.24 N ATOM 0 H ASN A 47 22.382 -2.848 -7.972 1.00 64.53 H new ATOM 0 HA ASN A 47 22.565 -0.689 -6.168 1.00 0.02 H new ATOM 0 HB2 ASN A 47 20.532 -2.024 -7.851 1.00 10.32 H new ATOM 0 HB3 ASN A 47 19.865 -1.301 -6.400 1.00 10.32 H new ATOM 0 HD21 ASN A 47 20.397 1.058 -9.505 1.00 75.24 H new ATOM 0 HD22 ASN A 47 20.068 -0.678 -9.494 1.00 75.24 H new ATOM 765 N PRO A 48 21.590 -1.348 -3.942 1.00 72.13 N ATOM 766 CA PRO A 48 21.271 -1.772 -2.575 1.00 43.11 C ATOM 767 C PRO A 48 19.818 -2.210 -2.427 1.00 72.42 C ATOM 768 O PRO A 48 19.422 -2.742 -1.391 1.00 11.03 O ATOM 769 CB PRO A 48 21.539 -0.516 -1.742 1.00 65.01 C ATOM 770 CG PRO A 48 21.365 0.615 -2.695 1.00 35.45 C ATOM 771 CD PRO A 48 21.823 0.103 -4.034 1.00 51.04 C ATOM 0 HA PRO A 48 21.860 -2.637 -2.269 1.00 43.11 H new ATOM 0 HB2 PRO A 48 20.844 -0.440 -0.906 1.00 65.01 H new ATOM 0 HB3 PRO A 48 22.544 -0.528 -1.321 1.00 65.01 H new ATOM 0 HG2 PRO A 48 20.324 0.935 -2.735 1.00 35.45 H new ATOM 0 HG3 PRO A 48 21.953 1.480 -2.386 1.00 35.45 H new ATOM 0 HD2 PRO A 48 21.256 0.550 -4.851 1.00 51.04 H new ATOM 0 HD3 PRO A 48 22.874 0.331 -4.213 1.00 51.04 H new ATOM 779 N GLY A 49 19.027 -1.981 -3.471 1.00 62.44 N ATOM 780 CA GLY A 49 17.626 -2.358 -3.436 1.00 22.33 C ATOM 781 C GLY A 49 17.430 -3.862 -3.426 1.00 72.43 C ATOM 782 O GLY A 49 16.350 -4.352 -3.097 1.00 12.24 O ATOM 0 H GLY A 49 19.331 -1.541 -4.340 1.00 62.44 H new ATOM 0 HA2 GLY A 49 17.159 -1.928 -2.550 1.00 22.33 H new ATOM 0 HA3 GLY A 49 17.117 -1.934 -4.302 1.00 22.33 H new ATOM 786 N LEU A 50 18.477 -4.595 -3.789 1.00 14.41 N ATOM 787 CA LEU A 50 18.415 -6.052 -3.821 1.00 24.24 C ATOM 788 C LEU A 50 18.509 -6.633 -2.414 1.00 53.42 C ATOM 789 O LEU A 50 18.040 -7.742 -2.155 1.00 30.34 O ATOM 790 CB LEU A 50 19.543 -6.611 -4.692 1.00 52.31 C ATOM 791 CG LEU A 50 19.710 -5.966 -6.068 1.00 52.11 C ATOM 792 CD1 LEU A 50 20.883 -6.587 -6.809 1.00 0.31 C ATOM 793 CD2 LEU A 50 18.431 -6.101 -6.881 1.00 40.23 C ATOM 0 H LEU A 50 19.378 -4.205 -4.065 1.00 14.41 H new ATOM 0 HA LEU A 50 17.455 -6.340 -4.250 1.00 24.24 H new ATOM 0 HB2 LEU A 50 20.481 -6.506 -4.147 1.00 52.31 H new ATOM 0 HB3 LEU A 50 19.373 -7.679 -4.831 1.00 52.31 H new ATOM 0 HG LEU A 50 19.916 -4.905 -5.927 1.00 52.11 H new ATOM 0 HD11 LEU A 50 20.987 -6.116 -7.786 1.00 0.31 H new ATOM 0 HD12 LEU A 50 21.797 -6.436 -6.235 1.00 0.31 H new ATOM 0 HD13 LEU A 50 20.708 -7.655 -6.938 1.00 0.31 H new ATOM 0 HD21 LEU A 50 18.569 -5.636 -7.857 1.00 40.23 H new ATOM 0 HD22 LEU A 50 18.193 -7.157 -7.012 1.00 40.23 H new ATOM 0 HD23 LEU A 50 17.613 -5.607 -6.357 1.00 40.23 H new ATOM 805 N LEU A 51 19.115 -5.875 -1.506 1.00 61.12 N ATOM 806 CA LEU A 51 19.268 -6.314 -0.124 1.00 75.14 C ATOM 807 C LEU A 51 17.910 -6.449 0.558 1.00 43.33 C ATOM 808 O LEU A 51 17.759 -7.210 1.514 1.00 72.11 O ATOM 809 CB LEU A 51 20.145 -5.327 0.651 1.00 74.00 C ATOM 810 CG LEU A 51 21.620 -5.283 0.251 1.00 73.11 C ATOM 811 CD1 LEU A 51 22.201 -3.900 0.505 1.00 15.33 C ATOM 812 CD2 LEU A 51 22.408 -6.342 1.006 1.00 63.51 C ATOM 0 H LEU A 51 19.508 -4.954 -1.702 1.00 61.12 H new ATOM 0 HA LEU A 51 19.750 -7.292 -0.130 1.00 75.14 H new ATOM 0 HB2 LEU A 51 19.727 -4.328 0.530 1.00 74.00 H new ATOM 0 HB3 LEU A 51 20.084 -5.572 1.711 1.00 74.00 H new ATOM 0 HG LEU A 51 21.695 -5.495 -0.816 1.00 73.11 H new ATOM 0 HD11 LEU A 51 23.251 -3.888 0.214 1.00 15.33 H new ATOM 0 HD12 LEU A 51 21.654 -3.162 -0.081 1.00 15.33 H new ATOM 0 HD13 LEU A 51 22.115 -3.658 1.564 1.00 15.33 H new ATOM 0 HD21 LEU A 51 23.456 -6.296 0.709 1.00 63.51 H new ATOM 0 HD22 LEU A 51 22.326 -6.161 2.078 1.00 63.51 H new ATOM 0 HD23 LEU A 51 22.007 -7.329 0.773 1.00 63.51 H new ATOM 824 N GLU A 52 16.926 -5.707 0.060 1.00 60.43 N ATOM 825 CA GLU A 52 15.582 -5.746 0.621 1.00 12.14 C ATOM 826 C GLU A 52 14.687 -6.693 -0.174 1.00 31.44 C ATOM 827 O GLU A 52 13.463 -6.566 -0.163 1.00 14.54 O ATOM 828 CB GLU A 52 14.970 -4.343 0.636 1.00 44.43 C ATOM 829 CG GLU A 52 14.757 -3.757 -0.749 1.00 33.44 C ATOM 830 CD GLU A 52 13.749 -2.624 -0.754 1.00 23.43 C ATOM 831 OE1 GLU A 52 12.579 -2.868 -0.395 1.00 22.52 O ATOM 832 OE2 GLU A 52 14.133 -1.492 -1.118 1.00 40.21 O ATOM 0 H GLU A 52 17.035 -5.072 -0.731 1.00 60.43 H new ATOM 0 HA GLU A 52 15.655 -6.115 1.644 1.00 12.14 H new ATOM 0 HB2 GLU A 52 14.013 -4.379 1.157 1.00 44.43 H new ATOM 0 HB3 GLU A 52 15.619 -3.679 1.206 1.00 44.43 H new ATOM 0 HG2 GLU A 52 15.709 -3.393 -1.136 1.00 33.44 H new ATOM 0 HG3 GLU A 52 14.418 -4.543 -1.424 1.00 33.44 H new ATOM 839 N THR A 53 15.309 -7.644 -0.865 1.00 34.32 N ATOM 840 CA THR A 53 14.572 -8.611 -1.667 1.00 12.15 C ATOM 841 C THR A 53 15.103 -10.024 -1.450 1.00 23.54 C ATOM 842 O THR A 53 16.293 -10.284 -1.627 1.00 61.14 O ATOM 843 CB THR A 53 14.648 -8.272 -3.168 1.00 21.32 C ATOM 844 OG1 THR A 53 15.953 -8.575 -3.674 1.00 43.44 O ATOM 845 CG2 THR A 53 14.336 -6.802 -3.407 1.00 71.23 C ATOM 0 H THR A 53 16.322 -7.764 -0.885 1.00 34.32 H new ATOM 0 HA THR A 53 13.532 -8.562 -1.343 1.00 12.15 H new ATOM 0 HB THR A 53 13.906 -8.875 -3.692 1.00 21.32 H new ATOM 0 HG1 THR A 53 16.632 -8.204 -3.072 1.00 43.44 H new ATOM 0 HG21 THR A 53 14.396 -6.586 -4.474 1.00 71.23 H new ATOM 0 HG22 THR A 53 13.331 -6.580 -3.048 1.00 71.23 H new ATOM 0 HG23 THR A 53 15.057 -6.185 -2.871 1.00 71.23 H new ATOM 853 N SER A 54 14.213 -10.933 -1.067 1.00 22.35 N ATOM 854 CA SER A 54 14.593 -12.320 -0.824 1.00 60.22 C ATOM 855 C SER A 54 15.250 -12.928 -2.059 1.00 2.55 C ATOM 856 O SER A 54 16.023 -13.881 -1.959 1.00 52.44 O ATOM 857 CB SER A 54 13.368 -13.144 -0.424 1.00 1.32 C ATOM 858 OG SER A 54 12.594 -13.490 -1.560 1.00 73.03 O ATOM 0 H SER A 54 13.224 -10.734 -0.918 1.00 22.35 H new ATOM 0 HA SER A 54 15.314 -12.336 -0.007 1.00 60.22 H new ATOM 0 HB2 SER A 54 13.687 -14.049 0.092 1.00 1.32 H new ATOM 0 HB3 SER A 54 12.757 -12.576 0.277 1.00 1.32 H new ATOM 0 HG SER A 54 11.818 -14.018 -1.279 1.00 73.03 H new ATOM 864 N GLU A 55 14.934 -12.371 -3.224 1.00 42.41 N ATOM 865 CA GLU A 55 15.493 -12.860 -4.480 1.00 51.45 C ATOM 866 C GLU A 55 16.876 -12.265 -4.728 1.00 53.41 C ATOM 867 O GLU A 55 17.834 -12.988 -5.000 1.00 34.23 O ATOM 868 CB GLU A 55 14.562 -12.517 -5.644 1.00 33.11 C ATOM 869 CG GLU A 55 13.649 -13.661 -6.051 1.00 3.24 C ATOM 870 CD GLU A 55 12.538 -13.220 -6.983 1.00 35.42 C ATOM 871 OE1 GLU A 55 12.741 -12.236 -7.725 1.00 24.20 O ATOM 872 OE2 GLU A 55 11.464 -13.857 -6.970 1.00 21.24 O ATOM 0 H GLU A 55 14.295 -11.582 -3.325 1.00 42.41 H new ATOM 0 HA GLU A 55 15.590 -13.943 -4.408 1.00 51.45 H new ATOM 0 HB2 GLU A 55 13.952 -11.657 -5.369 1.00 33.11 H new ATOM 0 HB3 GLU A 55 15.163 -12.220 -6.503 1.00 33.11 H new ATOM 0 HG2 GLU A 55 14.240 -14.436 -6.538 1.00 3.24 H new ATOM 0 HG3 GLU A 55 13.212 -14.107 -5.158 1.00 3.24 H new ATOM 879 N GLY A 56 16.972 -10.943 -4.631 1.00 11.41 N ATOM 880 CA GLY A 56 18.241 -10.273 -4.848 1.00 0.31 C ATOM 881 C GLY A 56 19.357 -10.858 -4.006 1.00 22.25 C ATOM 882 O GLY A 56 20.451 -11.119 -4.509 1.00 15.02 O ATOM 0 H GLY A 56 16.194 -10.324 -4.406 1.00 11.41 H new ATOM 0 HA2 GLY A 56 18.510 -10.344 -5.902 1.00 0.31 H new ATOM 0 HA3 GLY A 56 18.133 -9.213 -4.617 1.00 0.31 H new ATOM 886 N CYS A 57 19.082 -11.065 -2.723 1.00 33.33 N ATOM 887 CA CYS A 57 20.073 -11.620 -1.809 1.00 24.10 C ATOM 888 C CYS A 57 20.664 -12.911 -2.367 1.00 30.11 C ATOM 889 O CYS A 57 21.881 -13.096 -2.372 1.00 23.11 O ATOM 890 CB CYS A 57 19.443 -11.884 -0.440 1.00 23.02 C ATOM 891 SG CYS A 57 19.914 -10.688 0.831 1.00 42.44 S ATOM 0 H CYS A 57 18.181 -10.857 -2.293 1.00 33.33 H new ATOM 0 HA CYS A 57 20.876 -10.892 -1.697 1.00 24.10 H new ATOM 0 HB2 CYS A 57 18.358 -11.879 -0.544 1.00 23.02 H new ATOM 0 HB3 CYS A 57 19.727 -12.882 -0.108 1.00 23.02 H new ATOM 0 HG CYS A 57 19.330 -10.993 1.952 1.00 42.44 H new ATOM 897 N ARG A 58 19.795 -13.800 -2.836 1.00 32.25 N ATOM 898 CA ARG A 58 20.231 -15.075 -3.394 1.00 54.12 C ATOM 899 C ARG A 58 21.094 -14.858 -4.634 1.00 13.54 C ATOM 900 O ARG A 58 22.019 -15.625 -4.899 1.00 31.14 O ATOM 901 CB ARG A 58 19.020 -15.942 -3.746 1.00 24.32 C ATOM 902 CG ARG A 58 19.368 -17.402 -3.989 1.00 53.30 C ATOM 903 CD ARG A 58 18.188 -18.165 -4.571 1.00 64.13 C ATOM 904 NE ARG A 58 18.582 -19.002 -5.702 1.00 75.04 N ATOM 905 CZ ARG A 58 17.718 -19.526 -6.563 1.00 53.21 C ATOM 906 NH1 ARG A 58 16.418 -19.302 -6.423 1.00 1.25 N ATOM 907 NH2 ARG A 58 18.153 -20.276 -7.568 1.00 41.12 N ATOM 0 H ARG A 58 18.785 -13.661 -2.841 1.00 32.25 H new ATOM 0 HA ARG A 58 20.830 -15.588 -2.641 1.00 54.12 H new ATOM 0 HB2 ARG A 58 18.292 -15.880 -2.937 1.00 24.32 H new ATOM 0 HB3 ARG A 58 18.541 -15.538 -4.638 1.00 24.32 H new ATOM 0 HG2 ARG A 58 20.217 -17.467 -4.670 1.00 53.30 H new ATOM 0 HG3 ARG A 58 19.676 -17.865 -3.051 1.00 53.30 H new ATOM 0 HD2 ARG A 58 17.742 -18.789 -3.796 1.00 64.13 H new ATOM 0 HD3 ARG A 58 17.422 -17.459 -4.892 1.00 64.13 H new ATOM 0 HE ARG A 58 19.575 -19.194 -5.837 1.00 75.04 H new ATOM 0 HH11 ARG A 58 16.080 -18.726 -5.652 1.00 1.25 H new ATOM 0 HH12 ARG A 58 15.757 -19.706 -7.086 1.00 1.25 H new ATOM 0 HH21 ARG A 58 19.152 -20.450 -7.679 1.00 41.12 H new ATOM 0 HH22 ARG A 58 17.488 -20.678 -8.229 1.00 41.12 H new ATOM 921 N GLN A 59 20.783 -13.810 -5.390 1.00 40.02 N ATOM 922 CA GLN A 59 21.529 -13.494 -6.601 1.00 32.42 C ATOM 923 C GLN A 59 22.917 -12.960 -6.263 1.00 21.30 C ATOM 924 O GLN A 59 23.913 -13.375 -6.855 1.00 30.31 O ATOM 925 CB GLN A 59 20.767 -12.469 -7.444 1.00 50.34 C ATOM 926 CG GLN A 59 21.353 -12.263 -8.830 1.00 24.20 C ATOM 927 CD GLN A 59 20.289 -12.154 -9.904 1.00 41.34 C ATOM 928 OE1 GLN A 59 19.779 -13.162 -10.393 1.00 71.53 O ATOM 929 NE2 GLN A 59 19.947 -10.926 -10.277 1.00 64.33 N ATOM 0 H GLN A 59 20.019 -13.166 -5.185 1.00 40.02 H new ATOM 0 HA GLN A 59 21.643 -14.413 -7.176 1.00 32.42 H new ATOM 0 HB2 GLN A 59 19.730 -12.791 -7.542 1.00 50.34 H new ATOM 0 HB3 GLN A 59 20.757 -11.514 -6.918 1.00 50.34 H new ATOM 0 HG2 GLN A 59 21.960 -11.358 -8.833 1.00 24.20 H new ATOM 0 HG3 GLN A 59 22.018 -13.094 -9.066 1.00 24.20 H new ATOM 0 HE21 GLN A 59 20.396 -10.118 -9.845 1.00 64.33 H new ATOM 0 HE22 GLN A 59 19.236 -10.791 -10.995 1.00 64.33 H new ATOM 938 N ILE A 60 22.974 -12.038 -5.308 1.00 15.22 N ATOM 939 CA ILE A 60 24.240 -11.449 -4.891 1.00 33.41 C ATOM 940 C ILE A 60 25.202 -12.515 -4.382 1.00 0.24 C ATOM 941 O ILE A 60 26.409 -12.443 -4.619 1.00 13.45 O ATOM 942 CB ILE A 60 24.033 -10.392 -3.789 1.00 5.21 C ATOM 943 CG1 ILE A 60 23.098 -9.286 -4.282 1.00 12.41 C ATOM 944 CG2 ILE A 60 25.370 -9.809 -3.357 1.00 73.11 C ATOM 945 CD1 ILE A 60 22.035 -8.901 -3.276 1.00 61.43 C ATOM 0 H ILE A 60 22.158 -11.683 -4.809 1.00 15.22 H new ATOM 0 HA ILE A 60 24.668 -10.967 -5.770 1.00 33.41 H new ATOM 0 HB ILE A 60 23.573 -10.873 -2.926 1.00 5.21 H new ATOM 0 HG12 ILE A 60 23.690 -8.404 -4.529 1.00 12.41 H new ATOM 0 HG13 ILE A 60 22.614 -9.613 -5.202 1.00 12.41 H new ATOM 0 HG21 ILE A 60 25.207 -9.064 -2.578 1.00 73.11 H new ATOM 0 HG22 ILE A 60 26.006 -10.605 -2.970 1.00 73.11 H new ATOM 0 HG23 ILE A 60 25.856 -9.340 -4.212 1.00 73.11 H new ATOM 0 HD11 ILE A 60 21.409 -8.112 -3.692 1.00 61.43 H new ATOM 0 HD12 ILE A 60 21.419 -9.771 -3.047 1.00 61.43 H new ATOM 0 HD13 ILE A 60 22.511 -8.543 -2.363 1.00 61.43 H new ATOM 957 N LEU A 61 24.661 -13.507 -3.682 1.00 32.21 N ATOM 958 CA LEU A 61 25.471 -14.593 -3.141 1.00 71.43 C ATOM 959 C LEU A 61 25.990 -15.494 -4.256 1.00 31.34 C ATOM 960 O LEU A 61 27.024 -16.145 -4.112 1.00 13.02 O ATOM 961 CB LEU A 61 24.656 -15.415 -2.142 1.00 40.12 C ATOM 962 CG LEU A 61 24.095 -14.651 -0.942 1.00 20.11 C ATOM 963 CD1 LEU A 61 22.850 -15.339 -0.405 1.00 3.35 C ATOM 964 CD2 LEU A 61 25.149 -14.523 0.148 1.00 55.04 C ATOM 0 H LEU A 61 23.665 -13.581 -3.476 1.00 32.21 H new ATOM 0 HA LEU A 61 26.326 -14.154 -2.628 1.00 71.43 H new ATOM 0 HB2 LEU A 61 23.824 -15.876 -2.675 1.00 40.12 H new ATOM 0 HB3 LEU A 61 25.284 -16.224 -1.770 1.00 40.12 H new ATOM 0 HG LEU A 61 23.817 -13.649 -1.271 1.00 20.11 H new ATOM 0 HD11 LEU A 61 22.465 -14.781 0.449 1.00 3.35 H new ATOM 0 HD12 LEU A 61 22.090 -15.378 -1.186 1.00 3.35 H new ATOM 0 HD13 LEU A 61 23.101 -16.353 -0.092 1.00 3.35 H new ATOM 0 HD21 LEU A 61 24.733 -13.977 0.994 1.00 55.04 H new ATOM 0 HD22 LEU A 61 25.458 -15.516 0.474 1.00 55.04 H new ATOM 0 HD23 LEU A 61 26.012 -13.984 -0.242 1.00 55.04 H new ATOM 976 N GLY A 62 25.264 -15.525 -5.371 1.00 3.10 N ATOM 977 CA GLY A 62 25.668 -16.349 -6.495 1.00 21.41 C ATOM 978 C GLY A 62 26.947 -15.858 -7.144 1.00 75.53 C ATOM 979 O GLY A 62 27.616 -16.606 -7.856 1.00 13.24 O ATOM 0 H GLY A 62 24.405 -14.995 -5.515 1.00 3.10 H new ATOM 0 HA2 GLY A 62 25.807 -17.376 -6.157 1.00 21.41 H new ATOM 0 HA3 GLY A 62 24.870 -16.363 -7.237 1.00 21.41 H new ATOM 983 N GLN A 63 27.286 -14.596 -6.899 1.00 25.22 N ATOM 984 CA GLN A 63 28.493 -14.006 -7.467 1.00 53.32 C ATOM 985 C GLN A 63 29.648 -14.068 -6.474 1.00 70.52 C ATOM 986 O GLN A 63 30.809 -14.203 -6.863 1.00 31.35 O ATOM 987 CB GLN A 63 28.232 -12.554 -7.875 1.00 65.01 C ATOM 988 CG GLN A 63 28.094 -12.360 -9.375 1.00 35.31 C ATOM 989 CD GLN A 63 29.258 -11.595 -9.975 1.00 65.14 C ATOM 990 OE1 GLN A 63 30.420 -11.942 -9.761 1.00 25.33 O ATOM 991 NE2 GLN A 63 28.952 -10.547 -10.730 1.00 23.31 N ATOM 0 H GLN A 63 26.743 -13.963 -6.312 1.00 25.22 H new ATOM 0 HA GLN A 63 28.768 -14.581 -8.351 1.00 53.32 H new ATOM 0 HB2 GLN A 63 27.322 -12.206 -7.387 1.00 65.01 H new ATOM 0 HB3 GLN A 63 29.048 -11.930 -7.510 1.00 65.01 H new ATOM 0 HG2 GLN A 63 28.017 -13.334 -9.858 1.00 35.31 H new ATOM 0 HG3 GLN A 63 27.167 -11.826 -9.585 1.00 35.31 H new ATOM 0 HE21 GLN A 63 27.975 -10.295 -10.881 1.00 23.31 H new ATOM 0 HE22 GLN A 63 29.694 -9.994 -11.159 1.00 23.31 H new ATOM 1000 N LEU A 64 29.325 -13.969 -5.190 1.00 52.00 N ATOM 1001 CA LEU A 64 30.336 -14.014 -4.139 1.00 23.41 C ATOM 1002 C LEU A 64 30.698 -15.455 -3.793 1.00 74.11 C ATOM 1003 O LEU A 64 31.800 -15.731 -3.320 1.00 31.01 O ATOM 1004 CB LEU A 64 29.836 -13.288 -2.890 1.00 73.52 C ATOM 1005 CG LEU A 64 29.287 -11.877 -3.109 1.00 62.24 C ATOM 1006 CD1 LEU A 64 28.665 -11.342 -1.829 1.00 55.40 C ATOM 1007 CD2 LEU A 64 30.387 -10.946 -3.599 1.00 63.21 C ATOM 0 H LEU A 64 28.370 -13.857 -4.851 1.00 52.00 H new ATOM 0 HA LEU A 64 31.230 -13.513 -4.509 1.00 23.41 H new ATOM 0 HB2 LEU A 64 29.054 -13.893 -2.431 1.00 73.52 H new ATOM 0 HB3 LEU A 64 30.656 -13.230 -2.175 1.00 73.52 H new ATOM 0 HG LEU A 64 28.512 -11.924 -3.874 1.00 62.24 H new ATOM 0 HD11 LEU A 64 28.280 -10.337 -2.004 1.00 55.40 H new ATOM 0 HD12 LEU A 64 27.849 -11.995 -1.521 1.00 55.40 H new ATOM 0 HD13 LEU A 64 29.420 -11.309 -1.044 1.00 55.40 H new ATOM 0 HD21 LEU A 64 29.978 -9.947 -3.749 1.00 63.21 H new ATOM 0 HD22 LEU A 64 31.185 -10.904 -2.858 1.00 63.21 H new ATOM 0 HD23 LEU A 64 30.787 -11.320 -4.542 1.00 63.21 H new ATOM 1019 N GLN A 65 29.763 -16.368 -4.034 1.00 70.02 N ATOM 1020 CA GLN A 65 29.985 -17.781 -3.748 1.00 32.14 C ATOM 1021 C GLN A 65 31.282 -18.268 -4.384 1.00 3.11 C ATOM 1022 O GLN A 65 32.212 -18.701 -3.702 1.00 4.14 O ATOM 1023 CB GLN A 65 28.809 -18.617 -4.256 1.00 35.44 C ATOM 1024 CG GLN A 65 27.962 -19.215 -3.146 1.00 41.55 C ATOM 1025 CD GLN A 65 28.403 -20.615 -2.765 1.00 63.43 C ATOM 1026 OE1 GLN A 65 27.664 -21.582 -2.944 1.00 62.40 O ATOM 1027 NE2 GLN A 65 29.616 -20.729 -2.236 1.00 4.21 N ATOM 0 H GLN A 65 28.846 -16.155 -4.426 1.00 70.02 H new ATOM 0 HA GLN A 65 30.065 -17.898 -2.667 1.00 32.14 H new ATOM 0 HB2 GLN A 65 28.177 -17.993 -4.888 1.00 35.44 H new ATOM 0 HB3 GLN A 65 29.191 -19.422 -4.884 1.00 35.44 H new ATOM 0 HG2 GLN A 65 28.013 -18.571 -2.268 1.00 41.55 H new ATOM 0 HG3 GLN A 65 26.919 -19.240 -3.463 1.00 41.55 H new ATOM 0 HE21 GLN A 65 30.195 -19.900 -2.105 1.00 4.21 H new ATOM 0 HE22 GLN A 65 29.968 -21.646 -1.960 1.00 4.21 H new ATOM 1036 N PRO A 66 31.349 -18.197 -5.722 1.00 24.32 N ATOM 1037 CA PRO A 66 32.529 -18.626 -6.479 1.00 13.32 C ATOM 1038 C PRO A 66 33.721 -17.698 -6.272 1.00 74.33 C ATOM 1039 O PRO A 66 34.858 -18.056 -6.574 1.00 64.25 O ATOM 1040 CB PRO A 66 32.055 -18.572 -7.934 1.00 0.10 C ATOM 1041 CG PRO A 66 30.953 -17.570 -7.937 1.00 60.25 C ATOM 1042 CD PRO A 66 30.280 -17.691 -6.599 1.00 51.44 C ATOM 0 HA PRO A 66 32.878 -19.610 -6.166 1.00 13.32 H new ATOM 0 HB2 PRO A 66 32.863 -18.274 -8.603 1.00 0.10 H new ATOM 0 HB3 PRO A 66 31.704 -19.547 -8.272 1.00 0.10 H new ATOM 0 HG2 PRO A 66 31.342 -16.563 -8.089 1.00 60.25 H new ATOM 0 HG3 PRO A 66 30.250 -17.766 -8.747 1.00 60.25 H new ATOM 0 HD2 PRO A 66 29.898 -16.730 -6.253 1.00 51.44 H new ATOM 0 HD3 PRO A 66 29.433 -18.376 -6.636 1.00 51.44 H new ATOM 1050 N SER A 67 33.451 -16.503 -5.755 1.00 11.31 N ATOM 1051 CA SER A 67 34.501 -15.521 -5.510 1.00 31.44 C ATOM 1052 C SER A 67 34.841 -15.447 -4.026 1.00 54.42 C ATOM 1053 O SER A 67 35.302 -14.416 -3.532 1.00 23.32 O ATOM 1054 CB SER A 67 34.069 -14.143 -6.017 1.00 50.31 C ATOM 1055 OG SER A 67 33.457 -14.237 -7.291 1.00 24.55 O ATOM 0 H SER A 67 32.514 -16.192 -5.498 1.00 11.31 H new ATOM 0 HA SER A 67 35.392 -15.836 -6.053 1.00 31.44 H new ATOM 0 HB2 SER A 67 33.374 -13.693 -5.308 1.00 50.31 H new ATOM 0 HB3 SER A 67 34.936 -13.485 -6.074 1.00 50.31 H new ATOM 0 HG SER A 67 32.533 -13.917 -7.234 1.00 24.55 H new ATOM 1061 N LEU A 68 34.607 -16.545 -3.316 1.00 5.11 N ATOM 1062 CA LEU A 68 34.888 -16.606 -1.886 1.00 15.54 C ATOM 1063 C LEU A 68 36.371 -16.852 -1.631 1.00 61.50 C ATOM 1064 O LEU A 68 36.937 -16.343 -0.663 1.00 11.02 O ATOM 1065 CB LEU A 68 34.057 -17.711 -1.230 1.00 31.24 C ATOM 1066 CG LEU A 68 32.758 -17.266 -0.559 1.00 35.22 C ATOM 1067 CD1 LEU A 68 31.964 -18.470 -0.078 1.00 43.21 C ATOM 1068 CD2 LEU A 68 33.052 -16.322 0.598 1.00 14.14 C ATOM 0 H LEU A 68 34.223 -17.405 -3.707 1.00 5.11 H new ATOM 0 HA LEU A 68 34.618 -15.646 -1.447 1.00 15.54 H new ATOM 0 HB2 LEU A 68 33.814 -18.454 -1.989 1.00 31.24 H new ATOM 0 HB3 LEU A 68 34.676 -18.209 -0.483 1.00 31.24 H new ATOM 0 HG LEU A 68 32.157 -16.732 -1.295 1.00 35.22 H new ATOM 0 HD11 LEU A 68 31.043 -18.132 0.397 1.00 43.21 H new ATOM 0 HD12 LEU A 68 31.721 -19.109 -0.927 1.00 43.21 H new ATOM 0 HD13 LEU A 68 32.558 -19.033 0.642 1.00 43.21 H new ATOM 0 HD21 LEU A 68 32.116 -16.015 1.064 1.00 14.14 H new ATOM 0 HD22 LEU A 68 33.674 -16.831 1.334 1.00 14.14 H new ATOM 0 HD23 LEU A 68 33.577 -15.442 0.226 1.00 14.14 H new ATOM 1080 N GLN A 69 36.996 -17.631 -2.508 1.00 2.41 N ATOM 1081 CA GLN A 69 38.415 -17.942 -2.379 1.00 40.33 C ATOM 1082 C GLN A 69 39.273 -16.781 -2.870 1.00 24.32 C ATOM 1083 O GLN A 69 40.232 -16.379 -2.211 1.00 43.55 O ATOM 1084 CB GLN A 69 38.755 -19.211 -3.162 1.00 53.14 C ATOM 1085 CG GLN A 69 40.072 -19.846 -2.748 1.00 25.12 C ATOM 1086 CD GLN A 69 40.064 -21.355 -2.897 1.00 51.31 C ATOM 1087 OE1 GLN A 69 39.138 -21.929 -3.472 1.00 4.11 O ATOM 1088 NE2 GLN A 69 41.098 -22.007 -2.379 1.00 22.44 N ATOM 0 H GLN A 69 36.542 -18.058 -3.315 1.00 2.41 H new ATOM 0 HA GLN A 69 38.630 -18.108 -1.323 1.00 40.33 H new ATOM 0 HB2 GLN A 69 37.953 -19.937 -3.028 1.00 53.14 H new ATOM 0 HB3 GLN A 69 38.794 -18.973 -4.225 1.00 53.14 H new ATOM 0 HG2 GLN A 69 40.878 -19.429 -3.352 1.00 25.12 H new ATOM 0 HG3 GLN A 69 40.285 -19.588 -1.711 1.00 25.12 H new ATOM 0 HE21 GLN A 69 41.843 -21.492 -1.911 1.00 22.44 H new ATOM 0 HE22 GLN A 69 41.147 -23.023 -2.449 1.00 22.44 H new ATOM 1097 N THR A 70 38.923 -16.245 -4.036 1.00 4.31 N ATOM 1098 CA THR A 70 39.662 -15.131 -4.618 1.00 3.44 C ATOM 1099 C THR A 70 39.267 -13.810 -3.968 1.00 22.35 C ATOM 1100 O THR A 70 40.086 -12.903 -3.837 1.00 20.51 O ATOM 1101 CB THR A 70 39.426 -15.035 -6.137 1.00 70.51 C ATOM 1102 OG1 THR A 70 38.022 -15.005 -6.414 1.00 73.10 O ATOM 1103 CG2 THR A 70 40.067 -16.210 -6.860 1.00 54.41 C ATOM 0 H THR A 70 38.132 -16.565 -4.596 1.00 4.31 H new ATOM 0 HA THR A 70 40.719 -15.321 -4.433 1.00 3.44 H new ATOM 0 HB THR A 70 39.886 -14.114 -6.496 1.00 70.51 H new ATOM 0 HG1 THR A 70 37.881 -14.942 -7.382 1.00 73.10 H new ATOM 0 HG21 THR A 70 39.887 -16.120 -7.931 1.00 54.41 H new ATOM 0 HG22 THR A 70 41.141 -16.211 -6.671 1.00 54.41 H new ATOM 0 HG23 THR A 70 39.633 -17.142 -6.496 1.00 54.41 H new ATOM 1111 N GLY A 71 38.005 -13.710 -3.561 1.00 42.21 N ATOM 1112 CA GLY A 71 37.524 -12.495 -2.929 1.00 51.30 C ATOM 1113 C GLY A 71 38.372 -12.085 -1.741 1.00 14.24 C ATOM 1114 O GLY A 71 38.984 -12.929 -1.086 1.00 31.41 O ATOM 0 H GLY A 71 37.308 -14.448 -3.658 1.00 42.21 H new ATOM 0 HA2 GLY A 71 37.515 -11.687 -3.661 1.00 51.30 H new ATOM 0 HA3 GLY A 71 36.494 -12.642 -2.603 1.00 51.30 H new ATOM 1118 N SER A 72 38.409 -10.786 -1.464 1.00 60.14 N ATOM 1119 CA SER A 72 39.192 -10.265 -0.350 1.00 62.13 C ATOM 1120 C SER A 72 38.332 -10.129 0.903 1.00 71.31 C ATOM 1121 O SER A 72 37.189 -10.582 0.935 1.00 2.32 O ATOM 1122 CB SER A 72 39.798 -8.908 -0.715 1.00 62.42 C ATOM 1123 OG SER A 72 38.892 -7.854 -0.438 1.00 23.11 O ATOM 0 H SER A 72 37.906 -10.075 -1.995 1.00 60.14 H new ATOM 0 HA SER A 72 39.996 -10.971 -0.143 1.00 62.13 H new ATOM 0 HB2 SER A 72 40.720 -8.756 -0.155 1.00 62.42 H new ATOM 0 HB3 SER A 72 40.062 -8.897 -1.773 1.00 62.42 H new ATOM 0 HG SER A 72 39.303 -6.998 -0.678 1.00 23.11 H new ATOM 1129 N GLU A 73 38.892 -9.502 1.933 1.00 31.41 N ATOM 1130 CA GLU A 73 38.177 -9.307 3.189 1.00 31.03 C ATOM 1131 C GLU A 73 36.821 -8.651 2.947 1.00 34.33 C ATOM 1132 O GLU A 73 35.853 -8.923 3.656 1.00 52.23 O ATOM 1133 CB GLU A 73 39.008 -8.450 4.147 1.00 11.25 C ATOM 1134 CG GLU A 73 39.235 -7.032 3.652 1.00 72.04 C ATOM 1135 CD GLU A 73 38.396 -6.012 4.399 1.00 71.33 C ATOM 1136 OE1 GLU A 73 37.211 -6.301 4.664 1.00 73.35 O ATOM 1137 OE2 GLU A 73 38.926 -4.927 4.717 1.00 72.34 O ATOM 0 H GLU A 73 39.838 -9.121 1.922 1.00 31.41 H new ATOM 0 HA GLU A 73 38.012 -10.286 3.639 1.00 31.03 H new ATOM 0 HB2 GLU A 73 38.508 -8.413 5.115 1.00 11.25 H new ATOM 0 HB3 GLU A 73 39.974 -8.930 4.306 1.00 11.25 H new ATOM 0 HG2 GLU A 73 40.290 -6.778 3.759 1.00 72.04 H new ATOM 0 HG3 GLU A 73 39.001 -6.981 2.589 1.00 72.04 H new ATOM 1144 N GLU A 74 36.761 -7.784 1.940 1.00 4.42 N ATOM 1145 CA GLU A 74 35.524 -7.088 1.606 1.00 65.12 C ATOM 1146 C GLU A 74 34.472 -8.065 1.091 1.00 12.10 C ATOM 1147 O GLU A 74 33.345 -8.101 1.588 1.00 70.21 O ATOM 1148 CB GLU A 74 35.790 -6.007 0.556 1.00 22.24 C ATOM 1149 CG GLU A 74 35.243 -4.642 0.936 1.00 31.31 C ATOM 1150 CD GLU A 74 36.175 -3.875 1.854 1.00 32.45 C ATOM 1151 OE1 GLU A 74 37.265 -4.399 2.165 1.00 71.22 O ATOM 1152 OE2 GLU A 74 35.814 -2.751 2.260 1.00 1.10 O ATOM 0 H GLU A 74 37.553 -7.548 1.343 1.00 4.42 H new ATOM 0 HA GLU A 74 35.144 -6.618 2.513 1.00 65.12 H new ATOM 0 HB2 GLU A 74 36.865 -5.926 0.394 1.00 22.24 H new ATOM 0 HB3 GLU A 74 35.347 -6.316 -0.391 1.00 22.24 H new ATOM 0 HG2 GLU A 74 35.070 -4.059 0.031 1.00 31.31 H new ATOM 0 HG3 GLU A 74 34.277 -4.765 1.426 1.00 31.31 H new ATOM 1159 N LEU A 75 34.847 -8.857 0.093 1.00 14.14 N ATOM 1160 CA LEU A 75 33.935 -9.836 -0.491 1.00 30.34 C ATOM 1161 C LEU A 75 33.411 -10.795 0.573 1.00 75.22 C ATOM 1162 O LEU A 75 32.236 -11.160 0.568 1.00 51.15 O ATOM 1163 CB LEU A 75 34.640 -10.621 -1.599 1.00 62.34 C ATOM 1164 CG LEU A 75 33.732 -11.262 -2.649 1.00 44.10 C ATOM 1165 CD1 LEU A 75 34.419 -11.284 -4.006 1.00 14.41 C ATOM 1166 CD2 LEU A 75 33.339 -12.670 -2.225 1.00 73.21 C ATOM 0 H LEU A 75 35.775 -8.841 -0.329 1.00 14.14 H new ATOM 0 HA LEU A 75 33.088 -9.298 -0.917 1.00 30.34 H new ATOM 0 HB2 LEU A 75 35.333 -9.951 -2.107 1.00 62.34 H new ATOM 0 HB3 LEU A 75 35.238 -11.406 -1.136 1.00 62.34 H new ATOM 0 HG LEU A 75 32.825 -10.663 -2.733 1.00 44.10 H new ATOM 0 HD11 LEU A 75 33.758 -11.744 -4.741 1.00 14.41 H new ATOM 0 HD12 LEU A 75 34.650 -10.264 -4.313 1.00 14.41 H new ATOM 0 HD13 LEU A 75 35.342 -11.860 -3.937 1.00 14.41 H new ATOM 0 HD21 LEU A 75 32.693 -13.111 -2.984 1.00 73.21 H new ATOM 0 HD22 LEU A 75 34.236 -13.280 -2.113 1.00 73.21 H new ATOM 0 HD23 LEU A 75 32.807 -12.629 -1.275 1.00 73.21 H new ATOM 1178 N ARG A 76 34.291 -11.195 1.485 1.00 3.52 N ATOM 1179 CA ARG A 76 33.916 -12.111 2.556 1.00 64.13 C ATOM 1180 C ARG A 76 32.839 -11.496 3.445 1.00 0.13 C ATOM 1181 O ARG A 76 31.798 -12.107 3.689 1.00 25.32 O ATOM 1182 CB ARG A 76 35.141 -12.474 3.397 1.00 64.44 C ATOM 1183 CG ARG A 76 35.432 -13.965 3.439 1.00 24.42 C ATOM 1184 CD ARG A 76 35.196 -14.540 4.827 1.00 61.42 C ATOM 1185 NE ARG A 76 36.148 -14.017 5.805 1.00 14.43 N ATOM 1186 CZ ARG A 76 37.404 -14.435 5.905 1.00 10.13 C ATOM 1187 NH1 ARG A 76 37.860 -15.377 5.091 1.00 12.42 N ATOM 1188 NH2 ARG A 76 38.208 -13.911 6.821 1.00 21.30 N ATOM 0 H ARG A 76 35.267 -10.900 1.504 1.00 3.52 H new ATOM 0 HA ARG A 76 33.514 -13.017 2.102 1.00 64.13 H new ATOM 0 HB2 ARG A 76 36.012 -11.954 2.998 1.00 64.44 H new ATOM 0 HB3 ARG A 76 34.992 -12.113 4.415 1.00 64.44 H new ATOM 0 HG2 ARG A 76 34.798 -14.481 2.718 1.00 24.42 H new ATOM 0 HG3 ARG A 76 36.465 -14.144 3.141 1.00 24.42 H new ATOM 0 HD2 ARG A 76 34.181 -14.307 5.148 1.00 61.42 H new ATOM 0 HD3 ARG A 76 35.276 -15.626 4.788 1.00 61.42 H new ATOM 0 HE ARG A 76 35.830 -13.291 6.446 1.00 14.43 H new ATOM 0 HH11 ARG A 76 37.245 -15.783 4.385 1.00 12.42 H new ATOM 0 HH12 ARG A 76 38.826 -15.696 5.170 1.00 12.42 H new ATOM 0 HH21 ARG A 76 37.861 -13.186 7.449 1.00 21.30 H new ATOM 0 HH22 ARG A 76 39.173 -14.233 6.897 1.00 21.30 H new ATOM 1202 N SER A 77 33.097 -10.285 3.927 1.00 62.20 N ATOM 1203 CA SER A 77 32.152 -9.589 4.792 1.00 33.00 C ATOM 1204 C SER A 77 30.765 -9.548 4.159 1.00 61.43 C ATOM 1205 O SER A 77 29.752 -9.699 4.844 1.00 24.52 O ATOM 1206 CB SER A 77 32.639 -8.166 5.076 1.00 5.04 C ATOM 1207 OG SER A 77 33.493 -8.136 6.206 1.00 21.42 O ATOM 0 H SER A 77 33.953 -9.765 3.733 1.00 62.20 H new ATOM 0 HA SER A 77 32.087 -10.137 5.732 1.00 33.00 H new ATOM 0 HB2 SER A 77 33.169 -7.779 4.206 1.00 5.04 H new ATOM 0 HB3 SER A 77 31.783 -7.512 5.245 1.00 5.04 H new ATOM 0 HG SER A 77 33.792 -7.217 6.366 1.00 21.42 H new ATOM 1213 N LEU A 78 30.726 -9.341 2.847 1.00 70.11 N ATOM 1214 CA LEU A 78 29.464 -9.280 2.120 1.00 34.44 C ATOM 1215 C LEU A 78 28.709 -10.600 2.225 1.00 51.34 C ATOM 1216 O LEU A 78 27.565 -10.638 2.681 1.00 31.22 O ATOM 1217 CB LEU A 78 29.717 -8.940 0.649 1.00 54.55 C ATOM 1218 CG LEU A 78 29.414 -7.501 0.231 1.00 71.20 C ATOM 1219 CD1 LEU A 78 27.963 -7.152 0.529 1.00 63.42 C ATOM 1220 CD2 LEU A 78 30.353 -6.532 0.934 1.00 71.33 C ATOM 0 H LEU A 78 31.554 -9.213 2.266 1.00 70.11 H new ATOM 0 HA LEU A 78 28.853 -8.497 2.569 1.00 34.44 H new ATOM 0 HB2 LEU A 78 30.762 -9.150 0.423 1.00 54.55 H new ATOM 0 HB3 LEU A 78 29.117 -9.610 0.034 1.00 54.55 H new ATOM 0 HG LEU A 78 29.573 -7.414 -0.844 1.00 71.20 H new ATOM 0 HD11 LEU A 78 27.766 -6.124 0.225 1.00 63.42 H new ATOM 0 HD12 LEU A 78 27.306 -7.826 -0.022 1.00 63.42 H new ATOM 0 HD13 LEU A 78 27.776 -7.256 1.598 1.00 63.42 H new ATOM 0 HD21 LEU A 78 30.123 -5.513 0.624 1.00 71.33 H new ATOM 0 HD22 LEU A 78 30.226 -6.621 2.013 1.00 71.33 H new ATOM 0 HD23 LEU A 78 31.384 -6.767 0.669 1.00 71.33 H new ATOM 1232 N TYR A 79 29.356 -11.681 1.806 1.00 31.34 N ATOM 1233 CA TYR A 79 28.746 -13.004 1.853 1.00 43.30 C ATOM 1234 C TYR A 79 28.211 -13.307 3.250 1.00 3.42 C ATOM 1235 O TYR A 79 27.240 -14.046 3.408 1.00 35.11 O ATOM 1236 CB TYR A 79 29.760 -14.073 1.440 1.00 70.43 C ATOM 1237 CG TYR A 79 29.127 -15.382 1.029 1.00 42.54 C ATOM 1238 CD1 TYR A 79 28.386 -15.480 -0.141 1.00 15.34 C ATOM 1239 CD2 TYR A 79 29.269 -16.522 1.812 1.00 74.44 C ATOM 1240 CE1 TYR A 79 27.804 -16.675 -0.521 1.00 41.33 C ATOM 1241 CE2 TYR A 79 28.692 -17.720 1.440 1.00 23.41 C ATOM 1242 CZ TYR A 79 27.961 -17.792 0.273 1.00 72.10 C ATOM 1243 OH TYR A 79 27.384 -18.984 -0.101 1.00 4.32 O ATOM 0 H TYR A 79 30.304 -11.667 1.430 1.00 31.34 H new ATOM 0 HA TYR A 79 27.911 -13.016 1.152 1.00 43.30 H new ATOM 0 HB2 TYR A 79 30.359 -13.693 0.612 1.00 70.43 H new ATOM 0 HB3 TYR A 79 30.443 -14.254 2.270 1.00 70.43 H new ATOM 0 HD1 TYR A 79 28.262 -14.607 -0.765 1.00 15.34 H new ATOM 0 HD2 TYR A 79 29.840 -16.470 2.727 1.00 74.44 H new ATOM 0 HE1 TYR A 79 27.230 -16.734 -1.434 1.00 41.33 H new ATOM 0 HE2 TYR A 79 28.813 -18.596 2.060 1.00 23.41 H new ATOM 0 HH TYR A 79 27.591 -19.671 0.566 1.00 4.32 H new ATOM 1253 N ASN A 80 28.853 -12.731 4.260 1.00 65.43 N ATOM 1254 CA ASN A 80 28.444 -12.938 5.645 1.00 22.35 C ATOM 1255 C ASN A 80 27.124 -12.229 5.933 1.00 61.34 C ATOM 1256 O ASN A 80 26.137 -12.859 6.311 1.00 11.51 O ATOM 1257 CB ASN A 80 29.527 -12.434 6.600 1.00 20.00 C ATOM 1258 CG ASN A 80 30.599 -13.475 6.859 1.00 24.32 C ATOM 1259 OD1 ASN A 80 30.725 -13.991 7.969 1.00 55.52 O ATOM 1260 ND2 ASN A 80 31.381 -13.788 5.831 1.00 75.32 N ATOM 0 H ASN A 80 29.659 -12.117 4.146 1.00 65.43 H new ATOM 0 HA ASN A 80 28.303 -14.008 5.801 1.00 22.35 H new ATOM 0 HB2 ASN A 80 29.987 -11.538 6.183 1.00 20.00 H new ATOM 0 HB3 ASN A 80 29.068 -12.146 7.546 1.00 20.00 H new ATOM 0 HD21 ASN A 80 32.121 -14.481 5.945 1.00 75.32 H new ATOM 0 HD22 ASN A 80 31.241 -13.335 4.928 1.00 75.32 H new ATOM 1267 N THR A 81 27.116 -10.912 5.754 1.00 31.43 N ATOM 1268 CA THR A 81 25.919 -10.115 5.995 1.00 3.25 C ATOM 1269 C THR A 81 24.771 -10.560 5.096 1.00 60.30 C ATOM 1270 O THR A 81 23.653 -10.780 5.563 1.00 65.51 O ATOM 1271 CB THR A 81 26.186 -8.616 5.764 1.00 31.34 C ATOM 1272 OG1 THR A 81 27.341 -8.204 6.504 1.00 14.34 O ATOM 1273 CG2 THR A 81 24.985 -7.782 6.183 1.00 61.02 C ATOM 0 H THR A 81 27.925 -10.374 5.443 1.00 31.43 H new ATOM 0 HA THR A 81 25.641 -10.270 7.037 1.00 3.25 H new ATOM 0 HB THR A 81 26.363 -8.461 4.700 1.00 31.34 H new ATOM 0 HG1 THR A 81 27.505 -7.250 6.350 1.00 14.34 H new ATOM 0 HG21 THR A 81 25.197 -6.727 6.011 1.00 61.02 H new ATOM 0 HG22 THR A 81 24.115 -8.078 5.597 1.00 61.02 H new ATOM 0 HG23 THR A 81 24.782 -7.943 7.242 1.00 61.02 H new ATOM 1281 N ILE A 82 25.055 -10.691 3.804 1.00 1.21 N ATOM 1282 CA ILE A 82 24.046 -11.112 2.840 1.00 61.13 C ATOM 1283 C ILE A 82 23.423 -12.445 3.242 1.00 74.30 C ATOM 1284 O ILE A 82 22.291 -12.749 2.871 1.00 32.14 O ATOM 1285 CB ILE A 82 24.639 -11.242 1.425 1.00 33.10 C ATOM 1286 CG1 ILE A 82 25.243 -9.909 0.977 1.00 65.21 C ATOM 1287 CG2 ILE A 82 23.572 -11.702 0.444 1.00 35.03 C ATOM 1288 CD1 ILE A 82 26.216 -10.042 -0.174 1.00 13.42 C ATOM 0 H ILE A 82 25.975 -10.512 3.401 1.00 1.21 H new ATOM 0 HA ILE A 82 23.276 -10.341 2.833 1.00 61.13 H new ATOM 0 HB ILE A 82 25.432 -11.990 1.447 1.00 33.10 H new ATOM 0 HG12 ILE A 82 24.438 -9.235 0.685 1.00 65.21 H new ATOM 0 HG13 ILE A 82 25.754 -9.449 1.823 1.00 65.21 H new ATOM 0 HG21 ILE A 82 24.007 -11.789 -0.552 1.00 35.03 H new ATOM 0 HG22 ILE A 82 23.184 -12.671 0.757 1.00 35.03 H new ATOM 0 HG23 ILE A 82 22.760 -10.976 0.423 1.00 35.03 H new ATOM 0 HD11 ILE A 82 26.604 -9.058 -0.438 1.00 13.42 H new ATOM 0 HD12 ILE A 82 27.041 -10.691 0.120 1.00 13.42 H new ATOM 0 HD13 ILE A 82 25.705 -10.473 -1.035 1.00 13.42 H new ATOM 1300 N ALA A 83 24.171 -13.235 4.006 1.00 74.23 N ATOM 1301 CA ALA A 83 23.692 -14.533 4.462 1.00 15.11 C ATOM 1302 C ALA A 83 22.672 -14.378 5.586 1.00 75.34 C ATOM 1303 O ALA A 83 21.513 -14.769 5.446 1.00 32.44 O ATOM 1304 CB ALA A 83 24.858 -15.395 4.920 1.00 63.23 C ATOM 0 H ALA A 83 25.111 -12.998 4.322 1.00 74.23 H new ATOM 0 HA ALA A 83 23.198 -15.025 3.624 1.00 15.11 H new ATOM 0 HB1 ALA A 83 24.485 -16.362 5.258 1.00 63.23 H new ATOM 0 HB2 ALA A 83 25.549 -15.543 4.090 1.00 63.23 H new ATOM 0 HB3 ALA A 83 25.377 -14.899 5.741 1.00 63.23 H new ATOM 1310 N VAL A 84 23.112 -13.805 6.702 1.00 15.33 N ATOM 1311 CA VAL A 84 22.237 -13.597 7.851 1.00 22.42 C ATOM 1312 C VAL A 84 20.953 -12.885 7.441 1.00 44.51 C ATOM 1313 O VAL A 84 19.875 -13.180 7.960 1.00 60.43 O ATOM 1314 CB VAL A 84 22.939 -12.777 8.949 1.00 74.14 C ATOM 1315 CG1 VAL A 84 22.024 -12.603 10.152 1.00 33.21 C ATOM 1316 CG2 VAL A 84 24.247 -13.438 9.355 1.00 44.50 C ATOM 0 H VAL A 84 24.068 -13.477 6.835 1.00 15.33 H new ATOM 0 HA VAL A 84 21.992 -14.583 8.246 1.00 22.42 H new ATOM 0 HB VAL A 84 23.168 -11.789 8.550 1.00 74.14 H new ATOM 0 HG11 VAL A 84 22.537 -12.021 10.918 1.00 33.21 H new ATOM 0 HG12 VAL A 84 21.117 -12.082 9.847 1.00 33.21 H new ATOM 0 HG13 VAL A 84 21.762 -13.582 10.554 1.00 33.21 H new ATOM 0 HG21 VAL A 84 24.729 -12.844 10.132 1.00 44.50 H new ATOM 0 HG22 VAL A 84 24.046 -14.439 9.736 1.00 44.50 H new ATOM 0 HG23 VAL A 84 24.905 -13.505 8.489 1.00 44.50 H new ATOM 1326 N LEU A 85 21.074 -11.948 6.508 1.00 41.24 N ATOM 1327 CA LEU A 85 19.922 -11.193 6.028 1.00 71.12 C ATOM 1328 C LEU A 85 19.036 -12.059 5.138 1.00 51.22 C ATOM 1329 O LEU A 85 17.822 -12.129 5.333 1.00 62.44 O ATOM 1330 CB LEU A 85 20.384 -9.955 5.258 1.00 1.14 C ATOM 1331 CG LEU A 85 19.413 -8.774 5.240 1.00 11.20 C ATOM 1332 CD1 LEU A 85 20.095 -7.515 5.752 1.00 15.42 C ATOM 1333 CD2 LEU A 85 18.865 -8.554 3.837 1.00 64.05 C ATOM 0 H LEU A 85 21.958 -11.693 6.068 1.00 41.24 H new ATOM 0 HA LEU A 85 19.339 -10.878 6.893 1.00 71.12 H new ATOM 0 HB2 LEU A 85 21.328 -9.617 5.686 1.00 1.14 H new ATOM 0 HB3 LEU A 85 20.588 -10.248 4.228 1.00 1.14 H new ATOM 0 HG LEU A 85 18.578 -9.005 5.902 1.00 11.20 H new ATOM 0 HD11 LEU A 85 19.389 -6.685 5.732 1.00 15.42 H new ATOM 0 HD12 LEU A 85 20.437 -7.676 6.774 1.00 15.42 H new ATOM 0 HD13 LEU A 85 20.949 -7.280 5.117 1.00 15.42 H new ATOM 0 HD21 LEU A 85 18.176 -7.710 3.844 1.00 64.05 H new ATOM 0 HD22 LEU A 85 19.688 -8.345 3.154 1.00 64.05 H new ATOM 0 HD23 LEU A 85 18.338 -9.450 3.508 1.00 64.05 H new ATOM 1345 N TYR A 86 19.651 -12.718 4.163 1.00 23.21 N ATOM 1346 CA TYR A 86 18.918 -13.580 3.242 1.00 74.15 C ATOM 1347 C TYR A 86 18.056 -14.582 4.004 1.00 75.03 C ATOM 1348 O TYR A 86 16.864 -14.723 3.732 1.00 11.45 O ATOM 1349 CB TYR A 86 19.890 -14.322 2.323 1.00 34.22 C ATOM 1350 CG TYR A 86 19.230 -15.390 1.481 1.00 20.24 C ATOM 1351 CD1 TYR A 86 18.345 -15.053 0.464 1.00 13.44 C ATOM 1352 CD2 TYR A 86 19.492 -16.736 1.701 1.00 23.52 C ATOM 1353 CE1 TYR A 86 17.740 -16.026 -0.307 1.00 55.41 C ATOM 1354 CE2 TYR A 86 18.893 -17.716 0.934 1.00 1.14 C ATOM 1355 CZ TYR A 86 18.017 -17.356 -0.069 1.00 51.32 C ATOM 1356 OH TYR A 86 17.417 -18.329 -0.836 1.00 54.30 O ATOM 0 H TYR A 86 20.655 -12.672 3.989 1.00 23.21 H new ATOM 0 HA TYR A 86 18.264 -12.951 2.637 1.00 74.15 H new ATOM 0 HB2 TYR A 86 20.377 -13.602 1.665 1.00 34.22 H new ATOM 0 HB3 TYR A 86 20.672 -14.780 2.929 1.00 34.22 H new ATOM 0 HD1 TYR A 86 18.127 -14.013 0.273 1.00 13.44 H new ATOM 0 HD2 TYR A 86 20.177 -17.022 2.486 1.00 23.52 H new ATOM 0 HE1 TYR A 86 17.053 -15.747 -1.092 1.00 55.41 H new ATOM 0 HE2 TYR A 86 19.109 -18.758 1.118 1.00 1.14 H new ATOM 0 HH TYR A 86 17.720 -19.212 -0.540 1.00 54.30 H new ATOM 1366 N CYS A 87 18.668 -15.273 4.958 1.00 41.45 N ATOM 1367 CA CYS A 87 17.958 -16.263 5.760 1.00 52.41 C ATOM 1368 C CYS A 87 16.690 -15.666 6.363 1.00 32.04 C ATOM 1369 O CYS A 87 15.689 -16.361 6.544 1.00 33.53 O ATOM 1370 CB CYS A 87 18.864 -16.795 6.872 1.00 43.02 C ATOM 1371 SG CYS A 87 20.042 -18.052 6.325 1.00 42.12 S ATOM 0 H CYS A 87 19.654 -15.166 5.196 1.00 41.45 H new ATOM 0 HA CYS A 87 17.675 -17.088 5.106 1.00 52.41 H new ATOM 0 HB2 CYS A 87 19.415 -15.961 7.308 1.00 43.02 H new ATOM 0 HB3 CYS A 87 18.242 -17.214 7.663 1.00 43.02 H new ATOM 0 HG CYS A 87 20.616 -18.589 7.361 1.00 42.12 H new ATOM 1377 N VAL A 88 16.740 -14.374 6.674 1.00 3.22 N ATOM 1378 CA VAL A 88 15.596 -13.684 7.256 1.00 52.35 C ATOM 1379 C VAL A 88 14.483 -13.502 6.231 1.00 10.34 C ATOM 1380 O VAL A 88 13.316 -13.786 6.508 1.00 72.32 O ATOM 1381 CB VAL A 88 15.997 -12.304 7.812 1.00 11.51 C ATOM 1382 CG1 VAL A 88 14.820 -11.650 8.518 1.00 55.42 C ATOM 1383 CG2 VAL A 88 17.187 -12.434 8.752 1.00 13.33 C ATOM 0 H VAL A 88 17.561 -13.785 6.532 1.00 3.22 H new ATOM 0 HA VAL A 88 15.234 -14.307 8.074 1.00 52.35 H new ATOM 0 HB VAL A 88 16.289 -11.667 6.978 1.00 11.51 H new ATOM 0 HG11 VAL A 88 15.122 -10.677 8.904 1.00 55.42 H new ATOM 0 HG12 VAL A 88 13.999 -11.522 7.813 1.00 55.42 H new ATOM 0 HG13 VAL A 88 14.494 -12.282 9.344 1.00 55.42 H new ATOM 0 HG21 VAL A 88 17.457 -11.450 9.135 1.00 13.33 H new ATOM 0 HG22 VAL A 88 16.924 -13.088 9.583 1.00 13.33 H new ATOM 0 HG23 VAL A 88 18.033 -12.857 8.211 1.00 13.33 H new ATOM 1393 N HIS A 89 14.850 -13.029 5.044 1.00 51.41 N ATOM 1394 CA HIS A 89 13.881 -12.810 3.975 1.00 65.21 C ATOM 1395 C HIS A 89 13.236 -14.126 3.551 1.00 70.31 C ATOM 1396 O HIS A 89 12.139 -14.064 2.996 1.00 61.41 O ATOM 1397 CB HIS A 89 14.558 -12.151 2.773 1.00 22.51 C ATOM 1398 CG HIS A 89 14.952 -10.726 3.014 1.00 41.24 C ATOM 1399 ND1 HIS A 89 14.325 -9.919 3.940 1.00 65.35 N ATOM 1400 CD2 HIS A 89 15.917 -9.965 2.445 1.00 12.31 C ATOM 1401 CE1 HIS A 89 14.887 -8.722 3.929 1.00 5.12 C ATOM 1402 NE2 HIS A 89 15.856 -8.724 3.031 1.00 4.34 N ATOM 0 H HIS A 89 15.811 -12.790 4.798 1.00 51.41 H new ATOM 0 HA HIS A 89 13.102 -12.148 4.353 1.00 65.21 H new ATOM 0 HB2 HIS A 89 15.446 -12.725 2.507 1.00 22.51 H new ATOM 0 HB3 HIS A 89 13.883 -12.193 1.918 1.00 22.51 H new ATOM 0 HD1 HIS A 89 13.549 -10.201 4.539 1.00 65.35 H new ATOM 0 HD2 HIS A 89 16.606 -10.276 1.674 1.00 12.31 H new ATOM 0 HE1 HIS A 89 14.602 -7.885 4.549 1.00 5.12 H new ATOM 0 HE2 HIS A 89 16.460 -7.933 2.809 1.00 4.34 H new ATOM 1411 N GLN A 90 13.864 -15.273 3.788 1.00 1.43 N ATOM 1412 CA GLN A 90 13.285 -16.554 3.399 1.00 44.35 C ATOM 1413 C GLN A 90 12.467 -17.150 4.541 1.00 11.34 C ATOM 1414 O GLN A 90 11.240 -17.227 4.463 1.00 72.53 O ATOM 1415 CB GLN A 90 14.387 -17.530 2.983 1.00 3.15 C ATOM 1416 CG GLN A 90 14.559 -17.647 1.477 1.00 55.44 C ATOM 1417 CD GLN A 90 13.805 -18.825 0.894 1.00 21.25 C ATOM 1418 OE1 GLN A 90 12.590 -18.943 1.056 1.00 31.45 O ATOM 1419 NE2 GLN A 90 14.524 -19.708 0.209 1.00 35.23 N ATOM 0 H GLN A 90 14.772 -15.342 4.247 1.00 1.43 H new ATOM 0 HA GLN A 90 12.622 -16.382 2.551 1.00 44.35 H new ATOM 0 HB2 GLN A 90 15.331 -17.209 3.424 1.00 3.15 H new ATOM 0 HB3 GLN A 90 14.162 -18.515 3.392 1.00 3.15 H new ATOM 0 HG2 GLN A 90 14.213 -16.728 1.003 1.00 55.44 H new ATOM 0 HG3 GLN A 90 15.619 -17.747 1.243 1.00 55.44 H new ATOM 0 HE21 GLN A 90 15.529 -19.572 0.099 1.00 35.23 H new ATOM 0 HE22 GLN A 90 14.071 -20.522 -0.207 1.00 35.23 H new ATOM 1428 N ARG A 91 13.154 -17.571 5.597 1.00 15.50 N ATOM 1429 CA ARG A 91 12.489 -18.162 6.754 1.00 73.12 C ATOM 1430 C ARG A 91 13.505 -18.541 7.828 1.00 15.21 C ATOM 1431 O ARG A 91 13.242 -18.394 9.022 1.00 44.14 O ATOM 1432 CB ARG A 91 11.689 -19.396 6.334 1.00 21.23 C ATOM 1433 CG ARG A 91 10.187 -19.234 6.500 1.00 63.42 C ATOM 1434 CD ARG A 91 9.447 -20.518 6.160 1.00 40.41 C ATOM 1435 NE ARG A 91 9.822 -21.616 7.048 1.00 13.12 N ATOM 1436 CZ ARG A 91 9.444 -22.875 6.857 1.00 41.42 C ATOM 1437 NH1 ARG A 91 8.687 -23.194 5.817 1.00 4.33 N ATOM 1438 NH2 ARG A 91 9.825 -23.819 7.709 1.00 61.31 N ATOM 0 H ARG A 91 14.169 -17.515 5.677 1.00 15.50 H new ATOM 0 HA ARG A 91 11.807 -17.420 7.169 1.00 73.12 H new ATOM 0 HB2 ARG A 91 11.908 -19.623 5.291 1.00 21.23 H new ATOM 0 HB3 ARG A 91 12.021 -20.251 6.923 1.00 21.23 H new ATOM 0 HG2 ARG A 91 9.963 -18.944 7.527 1.00 63.42 H new ATOM 0 HG3 ARG A 91 9.834 -18.428 5.857 1.00 63.42 H new ATOM 0 HD2 ARG A 91 8.373 -20.347 6.229 1.00 40.41 H new ATOM 0 HD3 ARG A 91 9.660 -20.797 5.128 1.00 40.41 H new ATOM 0 HE ARG A 91 10.405 -21.404 7.858 1.00 13.12 H new ATOM 0 HH11 ARG A 91 8.393 -22.472 5.160 1.00 4.33 H new ATOM 0 HH12 ARG A 91 8.399 -24.162 5.674 1.00 4.33 H new ATOM 0 HH21 ARG A 91 10.408 -23.578 8.510 1.00 61.31 H new ATOM 0 HH22 ARG A 91 9.535 -24.786 7.562 1.00 61.31 H new ATOM 1452 N ILE A 92 14.661 -19.030 7.395 1.00 4.00 N ATOM 1453 CA ILE A 92 15.715 -19.430 8.319 1.00 41.15 C ATOM 1454 C ILE A 92 16.027 -18.316 9.313 1.00 54.11 C ATOM 1455 O ILE A 92 16.332 -17.189 8.922 1.00 44.23 O ATOM 1456 CB ILE A 92 17.006 -19.810 7.571 1.00 5.41 C ATOM 1457 CG1 ILE A 92 16.735 -20.951 6.587 1.00 53.21 C ATOM 1458 CG2 ILE A 92 18.095 -20.203 8.559 1.00 13.22 C ATOM 1459 CD1 ILE A 92 16.601 -20.492 5.153 1.00 34.31 C ATOM 0 H ILE A 92 14.892 -19.159 6.410 1.00 4.00 H new ATOM 0 HA ILE A 92 15.347 -20.303 8.858 1.00 41.15 H new ATOM 0 HB ILE A 92 17.350 -18.943 7.007 1.00 5.41 H new ATOM 0 HG12 ILE A 92 17.545 -21.677 6.653 1.00 53.21 H new ATOM 0 HG13 ILE A 92 15.821 -21.465 6.882 1.00 53.21 H new ATOM 0 HG21 ILE A 92 19.001 -20.469 8.015 1.00 13.22 H new ATOM 0 HG22 ILE A 92 18.304 -19.364 9.223 1.00 13.22 H new ATOM 0 HG23 ILE A 92 17.761 -21.058 9.147 1.00 13.22 H new ATOM 0 HD11 ILE A 92 16.410 -21.353 4.512 1.00 34.31 H new ATOM 0 HD12 ILE A 92 15.773 -19.788 5.072 1.00 34.31 H new ATOM 0 HD13 ILE A 92 17.524 -20.004 4.840 1.00 34.31 H new ATOM 1471 N ASP A 93 15.948 -18.639 10.599 1.00 61.41 N ATOM 1472 CA ASP A 93 16.225 -17.667 11.650 1.00 34.21 C ATOM 1473 C ASP A 93 17.474 -18.054 12.434 1.00 42.51 C ATOM 1474 O ASP A 93 17.426 -18.234 13.651 1.00 54.13 O ATOM 1475 CB ASP A 93 15.028 -17.553 12.596 1.00 64.43 C ATOM 1476 CG ASP A 93 15.218 -16.472 13.643 1.00 22.13 C ATOM 1477 OD1 ASP A 93 15.936 -15.490 13.357 1.00 53.22 O ATOM 1478 OD2 ASP A 93 14.652 -16.608 14.747 1.00 11.31 O ATOM 0 H ASP A 93 15.694 -19.567 10.939 1.00 61.41 H new ATOM 0 HA ASP A 93 16.400 -16.700 11.179 1.00 34.21 H new ATOM 0 HB2 ASP A 93 14.130 -17.340 12.017 1.00 64.43 H new ATOM 0 HB3 ASP A 93 14.868 -18.511 13.092 1.00 64.43 H new ATOM 1483 N VAL A 94 18.593 -18.184 11.729 1.00 3.30 N ATOM 1484 CA VAL A 94 19.856 -18.551 12.358 1.00 70.02 C ATOM 1485 C VAL A 94 20.162 -17.646 13.546 1.00 35.22 C ATOM 1486 O VAL A 94 19.503 -16.625 13.749 1.00 21.14 O ATOM 1487 CB VAL A 94 21.024 -18.479 11.358 1.00 34.44 C ATOM 1488 CG1 VAL A 94 20.847 -19.510 10.253 1.00 55.13 C ATOM 1489 CG2 VAL A 94 21.141 -17.078 10.776 1.00 32.02 C ATOM 0 H VAL A 94 18.651 -18.040 10.721 1.00 3.30 H new ATOM 0 HA VAL A 94 19.749 -19.579 12.706 1.00 70.02 H new ATOM 0 HB VAL A 94 21.948 -18.706 11.889 1.00 34.44 H new ATOM 0 HG11 VAL A 94 21.682 -19.444 9.556 1.00 55.13 H new ATOM 0 HG12 VAL A 94 20.816 -20.509 10.689 1.00 55.13 H new ATOM 0 HG13 VAL A 94 19.915 -19.317 9.722 1.00 55.13 H new ATOM 0 HG21 VAL A 94 21.972 -17.045 10.071 1.00 32.02 H new ATOM 0 HG22 VAL A 94 20.216 -16.820 10.260 1.00 32.02 H new ATOM 0 HG23 VAL A 94 21.319 -16.364 11.580 1.00 32.02 H new ATOM 1499 N LYS A 95 21.165 -18.025 14.329 1.00 62.32 N ATOM 1500 CA LYS A 95 21.561 -17.246 15.497 1.00 2.22 C ATOM 1501 C LYS A 95 22.871 -16.508 15.240 1.00 62.12 C ATOM 1502 O LYS A 95 23.139 -15.470 15.846 1.00 54.43 O ATOM 1503 CB LYS A 95 21.709 -18.158 16.717 1.00 0.33 C ATOM 1504 CG LYS A 95 20.479 -18.187 17.607 1.00 41.22 C ATOM 1505 CD LYS A 95 20.672 -19.114 18.796 1.00 40.42 C ATOM 1506 CE LYS A 95 19.696 -20.280 18.758 1.00 31.11 C ATOM 1507 NZ LYS A 95 19.920 -21.227 19.884 1.00 50.14 N ATOM 0 H LYS A 95 21.720 -18.867 14.177 1.00 62.32 H new ATOM 0 HA LYS A 95 20.782 -16.510 15.693 1.00 2.22 H new ATOM 0 HB2 LYS A 95 21.926 -19.171 16.379 1.00 0.33 H new ATOM 0 HB3 LYS A 95 22.565 -17.828 17.305 1.00 0.33 H new ATOM 0 HG2 LYS A 95 20.262 -17.179 17.962 1.00 41.22 H new ATOM 0 HG3 LYS A 95 19.616 -18.514 17.026 1.00 41.22 H new ATOM 0 HD2 LYS A 95 21.694 -19.493 18.801 1.00 40.42 H new ATOM 0 HD3 LYS A 95 20.536 -18.554 19.721 1.00 40.42 H new ATOM 0 HE2 LYS A 95 18.675 -19.901 18.800 1.00 31.11 H new ATOM 0 HE3 LYS A 95 19.800 -20.810 17.811 1.00 31.11 H new ATOM 0 HZ1 LYS A 95 19.235 -22.007 19.823 1.00 50.14 H new ATOM 0 HZ2 LYS A 95 20.886 -21.609 19.830 1.00 50.14 H new ATOM 0 HZ3 LYS A 95 19.796 -20.728 20.788 1.00 50.14 H new ATOM 1521 N ASP A 96 23.682 -17.048 14.337 1.00 54.15 N ATOM 1522 CA ASP A 96 24.963 -16.437 13.998 1.00 5.53 C ATOM 1523 C ASP A 96 25.185 -16.444 12.489 1.00 34.14 C ATOM 1524 O ASP A 96 24.370 -16.973 11.732 1.00 53.22 O ATOM 1525 CB ASP A 96 26.105 -17.177 14.698 1.00 34.45 C ATOM 1526 CG ASP A 96 25.875 -18.675 14.756 1.00 72.23 C ATOM 1527 OD1 ASP A 96 25.089 -19.120 15.619 1.00 21.44 O ATOM 1528 OD2 ASP A 96 26.480 -19.401 13.940 1.00 63.11 O ATOM 0 H ASP A 96 23.476 -17.907 13.827 1.00 54.15 H new ATOM 0 HA ASP A 96 24.947 -15.402 14.340 1.00 5.53 H new ATOM 0 HB2 ASP A 96 27.039 -16.976 14.174 1.00 34.45 H new ATOM 0 HB3 ASP A 96 26.218 -16.790 15.711 1.00 34.45 H new ATOM 1533 N THR A 97 26.293 -15.850 12.057 1.00 1.54 N ATOM 1534 CA THR A 97 26.621 -15.785 10.638 1.00 71.43 C ATOM 1535 C THR A 97 27.085 -17.140 10.118 1.00 62.22 C ATOM 1536 O THR A 97 26.917 -17.456 8.940 1.00 53.44 O ATOM 1537 CB THR A 97 27.718 -14.739 10.363 1.00 42.14 C ATOM 1538 OG1 THR A 97 27.287 -13.448 10.809 1.00 31.22 O ATOM 1539 CG2 THR A 97 28.052 -14.683 8.880 1.00 61.14 C ATOM 0 H THR A 97 26.978 -15.407 12.669 1.00 1.54 H new ATOM 0 HA THR A 97 25.710 -15.492 10.116 1.00 71.43 H new ATOM 0 HB THR A 97 28.614 -15.032 10.911 1.00 42.14 H new ATOM 0 HG1 THR A 97 27.970 -13.060 11.395 1.00 31.22 H new ATOM 0 HG21 THR A 97 28.829 -13.938 8.710 1.00 61.14 H new ATOM 0 HG22 THR A 97 28.407 -15.659 8.550 1.00 61.14 H new ATOM 0 HG23 THR A 97 27.159 -14.412 8.316 1.00 61.14 H new ATOM 1547 N LYS A 98 27.672 -17.939 11.004 1.00 11.43 N ATOM 1548 CA LYS A 98 28.159 -19.263 10.636 1.00 34.32 C ATOM 1549 C LYS A 98 26.998 -20.214 10.363 1.00 43.25 C ATOM 1550 O LYS A 98 26.946 -20.861 9.318 1.00 13.32 O ATOM 1551 CB LYS A 98 29.048 -19.829 11.746 1.00 14.24 C ATOM 1552 CG LYS A 98 30.525 -19.543 11.547 1.00 24.31 C ATOM 1553 CD LYS A 98 31.312 -20.819 11.298 1.00 3.02 C ATOM 1554 CE LYS A 98 32.811 -20.571 11.361 1.00 42.21 C ATOM 1555 NZ LYS A 98 33.590 -21.789 11.003 1.00 71.42 N ATOM 0 H LYS A 98 27.822 -17.692 11.982 1.00 11.43 H new ATOM 0 HA LYS A 98 28.747 -19.166 9.723 1.00 34.32 H new ATOM 0 HB2 LYS A 98 28.731 -19.412 12.702 1.00 14.24 H new ATOM 0 HB3 LYS A 98 28.900 -20.907 11.804 1.00 14.24 H new ATOM 0 HG2 LYS A 98 30.655 -18.864 10.704 1.00 24.31 H new ATOM 0 HG3 LYS A 98 30.920 -19.037 12.428 1.00 24.31 H new ATOM 0 HD2 LYS A 98 31.035 -21.569 12.039 1.00 3.02 H new ATOM 0 HD3 LYS A 98 31.050 -21.224 10.321 1.00 3.02 H new ATOM 0 HE2 LYS A 98 33.074 -19.759 10.682 1.00 42.21 H new ATOM 0 HE3 LYS A 98 33.084 -20.248 12.366 1.00 42.21 H new ATOM 0 HZ1 LYS A 98 34.607 -21.579 11.058 1.00 71.42 H new ATOM 0 HZ2 LYS A 98 33.359 -22.556 11.666 1.00 71.42 H new ATOM 0 HZ3 LYS A 98 33.349 -22.083 10.035 1.00 71.42 H new ATOM 1569 N GLU A 99 26.069 -20.293 11.311 1.00 3.30 N ATOM 1570 CA GLU A 99 24.910 -21.166 11.172 1.00 53.11 C ATOM 1571 C GLU A 99 24.193 -20.911 9.849 1.00 54.42 C ATOM 1572 O GLU A 99 23.712 -21.842 9.203 1.00 53.21 O ATOM 1573 CB GLU A 99 23.942 -20.955 12.338 1.00 51.32 C ATOM 1574 CG GLU A 99 24.363 -21.663 13.615 1.00 3.13 C ATOM 1575 CD GLU A 99 23.436 -22.807 13.981 1.00 72.43 C ATOM 1576 OE1 GLU A 99 22.204 -22.599 13.966 1.00 35.42 O ATOM 1577 OE2 GLU A 99 23.941 -23.907 14.284 1.00 53.03 O ATOM 0 H GLU A 99 26.097 -19.763 12.182 1.00 3.30 H new ATOM 0 HA GLU A 99 25.261 -22.198 11.183 1.00 53.11 H new ATOM 0 HB2 GLU A 99 23.854 -19.887 12.537 1.00 51.32 H new ATOM 0 HB3 GLU A 99 22.953 -21.308 12.046 1.00 51.32 H new ATOM 0 HG2 GLU A 99 25.377 -22.045 13.497 1.00 3.13 H new ATOM 0 HG3 GLU A 99 24.387 -20.944 14.434 1.00 3.13 H new ATOM 1584 N ALA A 100 24.124 -19.644 9.455 1.00 64.24 N ATOM 1585 CA ALA A 100 23.468 -19.266 8.210 1.00 4.41 C ATOM 1586 C ALA A 100 24.336 -19.612 7.005 1.00 72.11 C ATOM 1587 O ALA A 100 23.827 -19.865 5.912 1.00 4.42 O ATOM 1588 CB ALA A 100 23.139 -17.781 8.216 1.00 51.41 C ATOM 0 H ALA A 100 24.515 -18.862 9.980 1.00 64.24 H new ATOM 0 HA ALA A 100 22.540 -19.832 8.131 1.00 4.41 H new ATOM 0 HB1 ALA A 100 22.649 -17.513 7.280 1.00 51.41 H new ATOM 0 HB2 ALA A 100 22.473 -17.559 9.050 1.00 51.41 H new ATOM 0 HB3 ALA A 100 24.058 -17.205 8.322 1.00 51.41 H new ATOM 1594 N LEU A 101 25.649 -19.620 7.210 1.00 15.43 N ATOM 1595 CA LEU A 101 26.588 -19.935 6.139 1.00 41.14 C ATOM 1596 C LEU A 101 26.568 -21.425 5.817 1.00 4.42 C ATOM 1597 O LEU A 101 26.983 -21.843 4.736 1.00 62.03 O ATOM 1598 CB LEU A 101 28.002 -19.505 6.533 1.00 4.33 C ATOM 1599 CG LEU A 101 28.849 -18.883 5.422 1.00 61.32 C ATOM 1600 CD1 LEU A 101 29.093 -19.890 4.308 1.00 51.54 C ATOM 1601 CD2 LEU A 101 28.175 -17.633 4.875 1.00 50.33 C ATOM 0 H LEU A 101 26.087 -19.412 8.107 1.00 15.43 H new ATOM 0 HA LEU A 101 26.282 -19.387 5.248 1.00 41.14 H new ATOM 0 HB2 LEU A 101 27.927 -18.788 7.350 1.00 4.33 H new ATOM 0 HB3 LEU A 101 28.530 -20.376 6.921 1.00 4.33 H new ATOM 0 HG LEU A 101 29.813 -18.598 5.843 1.00 61.32 H new ATOM 0 HD11 LEU A 101 29.697 -19.429 3.527 1.00 51.54 H new ATOM 0 HD12 LEU A 101 29.618 -20.756 4.709 1.00 51.54 H new ATOM 0 HD13 LEU A 101 28.138 -20.207 3.889 1.00 51.54 H new ATOM 0 HD21 LEU A 101 28.791 -17.203 4.085 1.00 50.33 H new ATOM 0 HD22 LEU A 101 27.197 -17.894 4.470 1.00 50.33 H new ATOM 0 HD23 LEU A 101 28.053 -16.905 5.677 1.00 50.33 H new ATOM 1613 N ASP A 102 26.081 -22.223 6.761 1.00 75.31 N ATOM 1614 CA ASP A 102 26.002 -23.667 6.577 1.00 45.23 C ATOM 1615 C ASP A 102 24.664 -24.066 5.964 1.00 53.10 C ATOM 1616 O ASP A 102 24.602 -24.926 5.086 1.00 10.21 O ATOM 1617 CB ASP A 102 26.199 -24.384 7.914 1.00 23.13 C ATOM 1618 CG ASP A 102 26.855 -25.742 7.751 1.00 13.21 C ATOM 1619 OD1 ASP A 102 26.328 -26.567 6.976 1.00 71.22 O ATOM 1620 OD2 ASP A 102 27.896 -25.978 8.399 1.00 45.41 O ATOM 0 H ASP A 102 25.735 -21.894 7.662 1.00 75.31 H new ATOM 0 HA ASP A 102 26.797 -23.965 5.893 1.00 45.23 H new ATOM 0 HB2 ASP A 102 26.811 -23.764 8.569 1.00 23.13 H new ATOM 0 HB3 ASP A 102 25.233 -24.507 8.403 1.00 23.13 H new ATOM 1625 N LYS A 103 23.593 -23.434 6.433 1.00 54.42 N ATOM 1626 CA LYS A 103 22.254 -23.721 5.932 1.00 50.30 C ATOM 1627 C LYS A 103 22.073 -23.175 4.520 1.00 14.14 C ATOM 1628 O LYS A 103 21.265 -23.688 3.745 1.00 35.42 O ATOM 1629 CB LYS A 103 21.198 -23.118 6.862 1.00 63.21 C ATOM 1630 CG LYS A 103 20.577 -24.128 7.812 1.00 72.00 C ATOM 1631 CD LYS A 103 19.270 -24.677 7.265 1.00 34.52 C ATOM 1632 CE LYS A 103 19.508 -25.652 6.123 1.00 70.31 C ATOM 1633 NZ LYS A 103 18.269 -26.392 5.757 1.00 4.50 N ATOM 0 H LYS A 103 23.627 -22.719 7.160 1.00 54.42 H new ATOM 0 HA LYS A 103 22.129 -24.803 5.904 1.00 50.30 H new ATOM 0 HB2 LYS A 103 21.653 -22.317 7.444 1.00 63.21 H new ATOM 0 HB3 LYS A 103 20.410 -22.666 6.259 1.00 63.21 H new ATOM 0 HG2 LYS A 103 21.275 -24.948 7.980 1.00 72.00 H new ATOM 0 HG3 LYS A 103 20.399 -23.658 8.779 1.00 72.00 H new ATOM 0 HD2 LYS A 103 18.722 -25.177 8.063 1.00 34.52 H new ATOM 0 HD3 LYS A 103 18.646 -23.854 6.917 1.00 34.52 H new ATOM 0 HE2 LYS A 103 19.877 -25.109 5.253 1.00 70.31 H new ATOM 0 HE3 LYS A 103 20.284 -26.362 6.408 1.00 70.31 H new ATOM 0 HZ1 LYS A 103 18.474 -27.046 4.975 1.00 4.50 H new ATOM 0 HZ2 LYS A 103 17.931 -26.931 6.580 1.00 4.50 H new ATOM 0 HZ3 LYS A 103 17.536 -25.716 5.460 1.00 4.50 H new ATOM 1647 N ILE A 104 22.830 -22.134 4.191 1.00 61.22 N ATOM 1648 CA ILE A 104 22.755 -21.521 2.871 1.00 73.40 C ATOM 1649 C ILE A 104 23.186 -22.500 1.784 1.00 1.41 C ATOM 1650 O ILE A 104 22.739 -22.410 0.642 1.00 35.22 O ATOM 1651 CB ILE A 104 23.632 -20.258 2.785 1.00 64.13 C ATOM 1652 CG1 ILE A 104 23.328 -19.485 1.500 1.00 32.20 C ATOM 1653 CG2 ILE A 104 25.106 -20.632 2.849 1.00 35.02 C ATOM 1654 CD1 ILE A 104 22.716 -18.124 1.744 1.00 52.55 C ATOM 0 H ILE A 104 23.503 -21.697 4.821 1.00 61.22 H new ATOM 0 HA ILE A 104 21.713 -21.241 2.713 1.00 73.40 H new ATOM 0 HB ILE A 104 23.403 -19.616 3.635 1.00 64.13 H new ATOM 0 HG12 ILE A 104 24.250 -19.363 0.932 1.00 32.20 H new ATOM 0 HG13 ILE A 104 22.649 -20.074 0.883 1.00 32.20 H new ATOM 0 HG21 ILE A 104 25.713 -19.729 2.787 1.00 35.02 H new ATOM 0 HG22 ILE A 104 25.311 -21.144 3.789 1.00 35.02 H new ATOM 0 HG23 ILE A 104 25.350 -21.292 2.016 1.00 35.02 H new ATOM 0 HD11 ILE A 104 22.527 -17.633 0.789 1.00 52.55 H new ATOM 0 HD12 ILE A 104 21.777 -18.239 2.285 1.00 52.55 H new ATOM 0 HD13 ILE A 104 23.402 -17.517 2.334 1.00 52.55 H new