USER MOD reduce.3.24.130724 H: found=0, std=0, add=617, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 618 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 80 TYR OH : rot -171:sc= 0.0498 USER MOD Set 1.2: A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 32 SER OG : rot 180:sc= 0.381 USER MOD Set 2.2: A 34 THR OG1 : rot 180:sc=-0.00715 USER MOD Set 3.1: A 16 SER OG : rot 180:sc= 0 USER MOD Set 3.2: A 20 CYS SG : rot 90:sc= -0.407 USER MOD Set 3.3: A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= -0.638 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 GLN : amide:sc= -0.0958 K(o=-0.096,f=-1.4) USER MOD Single : A 14 MET CE :methyl 135:sc= -2.53! (180deg=-3.57!) USER MOD Single : A 22 LYS NZ :NH3+ 163:sc= -0.0831 (180deg=-0.45) USER MOD Single : A 24 ASN : amide:sc= 0 K(o=0,f=-1.9!) USER MOD Single : A 27 GLN : amide:sc= -0.59 K(o=-0.59,f=-2.6) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 GLN : amide:sc= -0.018 X(o=-0.018,f=0) USER MOD Single : A 35 THR OG1 : rot -160:sc= -0.589 USER MOD Single : A 36 ASN : amide:sc= -1.62 K(o=-1.6,f=-7.1!) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 ASN : amide:sc= -0.0278 X(o=-0.028,f=-0.42) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 53 MET CE :methyl 153:sc= -0.173 (180deg=-0.824) USER MOD Single : A 60 SER OG : rot -55:sc= 0.0472 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 69 GLN : amide:sc= -0.331 X(o=-0.33,f=0) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 THR OG1 : rot 180:sc= -0.879 USER MOD Single : A 78 CYS SG : rot -27:sc= -0.346 USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 66 N SER A 6 -0.298 -11.992 -2.665 1.00 10.42 N ATOM 67 CA SER A 6 -1.080 -12.814 -1.749 1.00 13.32 C ATOM 68 C SER A 6 -0.811 -12.419 -0.300 1.00 1.55 C ATOM 69 O SER A 6 0.247 -12.723 0.250 1.00 70.20 O ATOM 70 CB SER A 6 -0.756 -14.295 -1.955 1.00 31.11 C ATOM 71 OG SER A 6 -1.386 -14.797 -3.120 1.00 12.30 O ATOM 0 HA SER A 6 -2.136 -12.648 -1.962 1.00 13.32 H new ATOM 0 HB2 SER A 6 0.323 -14.427 -2.036 1.00 31.11 H new ATOM 0 HB3 SER A 6 -1.083 -14.866 -1.086 1.00 31.11 H new ATOM 0 HG SER A 6 -1.162 -15.745 -3.230 1.00 12.30 H new ATOM 77 N GLU A 7 -1.776 -11.740 0.311 1.00 25.12 N ATOM 78 CA GLU A 7 -1.644 -11.303 1.695 1.00 23.40 C ATOM 79 C GLU A 7 -1.455 -12.497 2.627 1.00 11.43 C ATOM 80 O GLU A 7 -0.748 -12.407 3.631 1.00 4.20 O ATOM 81 CB GLU A 7 -2.875 -10.500 2.120 1.00 61.41 C ATOM 82 CG GLU A 7 -2.589 -9.478 3.208 1.00 52.15 C ATOM 83 CD GLU A 7 -1.858 -8.258 2.685 1.00 32.24 C ATOM 84 OE1 GLU A 7 -1.544 -8.227 1.476 1.00 63.30 O ATOM 85 OE2 GLU A 7 -1.599 -7.334 3.484 1.00 13.40 O ATOM 0 H GLU A 7 -2.658 -11.481 -0.131 1.00 25.12 H new ATOM 0 HA GLU A 7 -0.762 -10.666 1.765 1.00 23.40 H new ATOM 0 HB2 GLU A 7 -3.282 -9.987 1.249 1.00 61.41 H new ATOM 0 HB3 GLU A 7 -3.643 -11.188 2.472 1.00 61.41 H new ATOM 0 HG2 GLU A 7 -3.529 -9.166 3.664 1.00 52.15 H new ATOM 0 HG3 GLU A 7 -1.993 -9.945 3.992 1.00 52.15 H new ATOM 92 N GLU A 8 -2.094 -13.612 2.287 1.00 62.33 N ATOM 93 CA GLU A 8 -1.998 -14.823 3.094 1.00 22.01 C ATOM 94 C GLU A 8 -0.552 -15.303 3.184 1.00 45.53 C ATOM 95 O GLU A 8 -0.035 -15.550 4.274 1.00 0.33 O ATOM 96 CB GLU A 8 -2.877 -15.927 2.504 1.00 5.22 C ATOM 97 CG GLU A 8 -3.273 -16.993 3.512 1.00 4.01 C ATOM 98 CD GLU A 8 -4.568 -17.692 3.143 1.00 65.32 C ATOM 99 OE1 GLU A 8 -4.517 -18.660 2.357 1.00 20.33 O ATOM 100 OE2 GLU A 8 -5.632 -17.269 3.642 1.00 10.50 O ATOM 0 H GLU A 8 -2.683 -13.702 1.459 1.00 62.33 H new ATOM 0 HA GLU A 8 -2.348 -14.588 4.099 1.00 22.01 H new ATOM 0 HB2 GLU A 8 -3.779 -15.478 2.089 1.00 5.22 H new ATOM 0 HB3 GLU A 8 -2.346 -16.400 1.677 1.00 5.22 H new ATOM 0 HG2 GLU A 8 -2.475 -17.731 3.587 1.00 4.01 H new ATOM 0 HG3 GLU A 8 -3.379 -16.536 4.496 1.00 4.01 H new ATOM 107 N ILE A 9 0.096 -15.433 2.030 1.00 60.43 N ATOM 108 CA ILE A 9 1.481 -15.883 1.978 1.00 52.14 C ATOM 109 C ILE A 9 2.430 -14.797 2.473 1.00 13.42 C ATOM 110 O ILE A 9 3.475 -15.089 3.057 1.00 51.22 O ATOM 111 CB ILE A 9 1.887 -16.292 0.550 1.00 32.12 C ATOM 112 CG1 ILE A 9 0.796 -17.158 -0.085 1.00 51.12 C ATOM 113 CG2 ILE A 9 3.215 -17.034 0.568 1.00 50.42 C ATOM 114 CD1 ILE A 9 1.159 -17.674 -1.460 1.00 72.45 C ATOM 0 H ILE A 9 -0.317 -15.233 1.119 1.00 60.43 H new ATOM 0 HA ILE A 9 1.555 -16.753 2.631 1.00 52.14 H new ATOM 0 HB ILE A 9 2.005 -15.390 -0.050 1.00 32.12 H new ATOM 0 HG12 ILE A 9 0.589 -18.005 0.569 1.00 51.12 H new ATOM 0 HG13 ILE A 9 -0.123 -16.577 -0.155 1.00 51.12 H new ATOM 0 HG21 ILE A 9 3.488 -17.316 -0.449 1.00 50.42 H new ATOM 0 HG22 ILE A 9 3.987 -16.388 0.985 1.00 50.42 H new ATOM 0 HG23 ILE A 9 3.123 -17.931 1.181 1.00 50.42 H new ATOM 0 HD11 ILE A 9 0.340 -18.280 -1.849 1.00 72.45 H new ATOM 0 HD12 ILE A 9 1.338 -16.832 -2.129 1.00 72.45 H new ATOM 0 HD13 ILE A 9 2.061 -18.283 -1.394 1.00 72.45 H new ATOM 126 N LYS A 10 2.060 -13.544 2.238 1.00 24.45 N ATOM 127 CA LYS A 10 2.876 -12.411 2.661 1.00 53.51 C ATOM 128 C LYS A 10 3.244 -12.528 4.137 1.00 24.33 C ATOM 129 O LYS A 10 4.372 -12.234 4.530 1.00 33.51 O ATOM 130 CB LYS A 10 2.131 -11.098 2.412 1.00 74.03 C ATOM 131 CG LYS A 10 3.049 -9.893 2.289 1.00 54.41 C ATOM 132 CD LYS A 10 3.454 -9.359 3.652 1.00 65.13 C ATOM 133 CE LYS A 10 3.965 -7.929 3.561 1.00 45.24 C ATOM 134 NZ LYS A 10 4.736 -7.537 4.774 1.00 3.11 N ATOM 0 H LYS A 10 1.199 -13.286 1.756 1.00 24.45 H new ATOM 0 HA LYS A 10 3.794 -12.417 2.074 1.00 53.51 H new ATOM 0 HB2 LYS A 10 1.543 -11.191 1.499 1.00 74.03 H new ATOM 0 HB3 LYS A 10 1.429 -10.928 3.228 1.00 74.03 H new ATOM 0 HG2 LYS A 10 3.940 -10.170 1.726 1.00 54.41 H new ATOM 0 HG3 LYS A 10 2.546 -9.108 1.724 1.00 54.41 H new ATOM 0 HD2 LYS A 10 2.600 -9.399 4.328 1.00 65.13 H new ATOM 0 HD3 LYS A 10 4.228 -9.997 4.078 1.00 65.13 H new ATOM 0 HE2 LYS A 10 4.597 -7.825 2.679 1.00 45.24 H new ATOM 0 HE3 LYS A 10 3.122 -7.250 3.431 1.00 45.24 H new ATOM 0 HZ1 LYS A 10 5.067 -6.556 4.673 1.00 3.11 H new ATOM 0 HZ2 LYS A 10 4.126 -7.612 5.613 1.00 3.11 H new ATOM 0 HZ3 LYS A 10 5.555 -8.169 4.884 1.00 3.11 H new ATOM 148 N ALA A 11 2.285 -12.961 4.948 1.00 50.21 N ATOM 149 CA ALA A 11 2.508 -13.121 6.380 1.00 34.33 C ATOM 150 C ALA A 11 3.453 -14.284 6.662 1.00 4.45 C ATOM 151 O ALA A 11 4.209 -14.260 7.632 1.00 53.20 O ATOM 152 CB ALA A 11 1.186 -13.324 7.102 1.00 43.42 C ATOM 0 H ALA A 11 1.345 -13.208 4.638 1.00 50.21 H new ATOM 0 HA ALA A 11 2.975 -12.210 6.753 1.00 34.33 H new ATOM 0 HB1 ALA A 11 1.369 -13.442 8.170 1.00 43.42 H new ATOM 0 HB2 ALA A 11 0.545 -12.458 6.937 1.00 43.42 H new ATOM 0 HB3 ALA A 11 0.695 -14.218 6.717 1.00 43.42 H new ATOM 158 N GLN A 12 3.402 -15.302 5.808 1.00 24.33 N ATOM 159 CA GLN A 12 4.252 -16.475 5.967 1.00 2.14 C ATOM 160 C GLN A 12 5.687 -16.168 5.551 1.00 42.14 C ATOM 161 O GLN A 12 6.636 -16.525 6.251 1.00 75.20 O ATOM 162 CB GLN A 12 3.707 -17.641 5.140 1.00 54.01 C ATOM 163 CG GLN A 12 2.550 -18.370 5.804 1.00 32.44 C ATOM 164 CD GLN A 12 2.991 -19.624 6.533 1.00 15.14 C ATOM 165 OE1 GLN A 12 2.838 -20.736 6.026 1.00 41.43 O ATOM 166 NE2 GLN A 12 3.543 -19.452 7.727 1.00 62.23 N ATOM 0 H GLN A 12 2.781 -15.337 5.000 1.00 24.33 H new ATOM 0 HA GLN A 12 4.251 -16.754 7.021 1.00 2.14 H new ATOM 0 HB2 GLN A 12 3.380 -17.266 4.170 1.00 54.01 H new ATOM 0 HB3 GLN A 12 4.513 -18.351 4.953 1.00 54.01 H new ATOM 0 HG2 GLN A 12 2.059 -17.699 6.508 1.00 32.44 H new ATOM 0 HG3 GLN A 12 1.811 -18.635 5.048 1.00 32.44 H new ATOM 0 HE21 GLN A 12 3.650 -18.512 8.109 1.00 62.23 H new ATOM 0 HE22 GLN A 12 3.860 -20.260 8.263 1.00 62.23 H new ATOM 175 N VAL A 13 5.839 -15.505 4.410 1.00 55.30 N ATOM 176 CA VAL A 13 7.158 -15.149 3.902 1.00 61.15 C ATOM 177 C VAL A 13 7.848 -14.146 4.818 1.00 35.34 C ATOM 178 O VAL A 13 9.042 -14.258 5.092 1.00 43.12 O ATOM 179 CB VAL A 13 7.072 -14.557 2.482 1.00 14.51 C ATOM 180 CG1 VAL A 13 6.602 -15.612 1.491 1.00 15.43 C ATOM 181 CG2 VAL A 13 6.149 -13.348 2.464 1.00 71.30 C ATOM 0 H VAL A 13 5.064 -15.203 3.819 1.00 55.30 H new ATOM 0 HA VAL A 13 7.743 -16.068 3.870 1.00 61.15 H new ATOM 0 HB VAL A 13 8.068 -14.230 2.183 1.00 14.51 H new ATOM 0 HG11 VAL A 13 6.547 -15.176 0.494 1.00 15.43 H new ATOM 0 HG12 VAL A 13 7.306 -16.444 1.485 1.00 15.43 H new ATOM 0 HG13 VAL A 13 5.616 -15.973 1.784 1.00 15.43 H new ATOM 0 HG21 VAL A 13 6.100 -12.943 1.453 1.00 71.30 H new ATOM 0 HG22 VAL A 13 5.151 -13.647 2.784 1.00 71.30 H new ATOM 0 HG23 VAL A 13 6.534 -12.586 3.142 1.00 71.30 H new ATOM 191 N MET A 14 7.086 -13.163 5.289 1.00 13.51 N ATOM 192 CA MET A 14 7.624 -12.139 6.177 1.00 42.15 C ATOM 193 C MET A 14 7.927 -12.719 7.555 1.00 13.12 C ATOM 194 O MET A 14 8.914 -12.347 8.191 1.00 73.12 O ATOM 195 CB MET A 14 6.638 -10.976 6.306 1.00 42.43 C ATOM 196 CG MET A 14 5.375 -11.333 7.072 1.00 3.14 C ATOM 197 SD MET A 14 5.487 -10.926 8.824 1.00 42.00 S ATOM 198 CE MET A 14 4.065 -11.805 9.468 1.00 52.44 C ATOM 0 H MET A 14 6.096 -13.055 5.071 1.00 13.51 H new ATOM 0 HA MET A 14 8.554 -11.771 5.745 1.00 42.15 H new ATOM 0 HB2 MET A 14 7.134 -10.144 6.806 1.00 42.43 H new ATOM 0 HB3 MET A 14 6.363 -10.631 5.309 1.00 42.43 H new ATOM 0 HG2 MET A 14 4.528 -10.805 6.634 1.00 3.14 H new ATOM 0 HG3 MET A 14 5.178 -12.399 6.963 1.00 3.14 H new ATOM 0 HE1 MET A 14 4.346 -12.335 10.378 1.00 52.44 H new ATOM 0 HE2 MET A 14 3.270 -11.095 9.693 1.00 52.44 H new ATOM 0 HE3 MET A 14 3.713 -12.521 8.725 1.00 52.44 H new ATOM 208 N GLU A 15 7.073 -13.630 8.010 1.00 31.13 N ATOM 209 CA GLU A 15 7.250 -14.259 9.313 1.00 3.51 C ATOM 210 C GLU A 15 8.458 -15.191 9.307 1.00 40.41 C ATOM 211 O GLU A 15 9.166 -15.313 10.308 1.00 50.11 O ATOM 212 CB GLU A 15 5.992 -15.039 9.703 1.00 51.42 C ATOM 213 CG GLU A 15 6.113 -15.761 11.035 1.00 64.33 C ATOM 214 CD GLU A 15 4.777 -16.263 11.549 1.00 14.11 C ATOM 215 OE1 GLU A 15 4.138 -17.072 10.845 1.00 12.44 O ATOM 216 OE2 GLU A 15 4.371 -15.846 12.653 1.00 72.54 O ATOM 0 H GLU A 15 6.252 -13.949 7.496 1.00 31.13 H new ATOM 0 HA GLU A 15 7.423 -13.472 10.047 1.00 3.51 H new ATOM 0 HB2 GLU A 15 5.147 -14.351 9.747 1.00 51.42 H new ATOM 0 HB3 GLU A 15 5.770 -15.767 8.923 1.00 51.42 H new ATOM 0 HG2 GLU A 15 6.796 -16.603 10.927 1.00 64.33 H new ATOM 0 HG3 GLU A 15 6.551 -15.087 11.771 1.00 64.33 H new ATOM 223 N SER A 16 8.687 -15.846 8.174 1.00 34.34 N ATOM 224 CA SER A 16 9.807 -16.772 8.040 1.00 4.21 C ATOM 225 C SER A 16 11.124 -16.014 7.904 1.00 25.30 C ATOM 226 O SER A 16 12.133 -16.387 8.502 1.00 71.45 O ATOM 227 CB SER A 16 9.602 -17.680 6.826 1.00 21.44 C ATOM 228 OG SER A 16 10.809 -18.328 6.464 1.00 73.30 O ATOM 0 H SER A 16 8.113 -15.753 7.336 1.00 34.34 H new ATOM 0 HA SER A 16 9.850 -17.384 8.941 1.00 4.21 H new ATOM 0 HB2 SER A 16 8.839 -18.425 7.050 1.00 21.44 H new ATOM 0 HB3 SER A 16 9.235 -17.091 5.985 1.00 21.44 H new ATOM 0 HG SER A 16 10.651 -18.903 5.687 1.00 73.30 H new ATOM 234 N VAL A 17 11.107 -14.946 7.113 1.00 40.23 N ATOM 235 CA VAL A 17 12.298 -14.133 6.898 1.00 71.33 C ATOM 236 C VAL A 17 12.751 -13.471 8.194 1.00 73.43 C ATOM 237 O VAL A 17 13.917 -13.570 8.579 1.00 75.50 O ATOM 238 CB VAL A 17 12.052 -13.044 5.837 1.00 54.13 C ATOM 239 CG1 VAL A 17 13.235 -12.091 5.765 1.00 61.33 C ATOM 240 CG2 VAL A 17 11.782 -13.675 4.480 1.00 64.43 C ATOM 0 H VAL A 17 10.280 -14.623 6.610 1.00 40.23 H new ATOM 0 HA VAL A 17 13.080 -14.805 6.543 1.00 71.33 H new ATOM 0 HB VAL A 17 11.172 -12.470 6.127 1.00 54.13 H new ATOM 0 HG11 VAL A 17 13.043 -11.329 5.010 1.00 61.33 H new ATOM 0 HG12 VAL A 17 13.377 -11.614 6.735 1.00 61.33 H new ATOM 0 HG13 VAL A 17 14.134 -12.647 5.499 1.00 61.33 H new ATOM 0 HG21 VAL A 17 11.610 -12.891 3.742 1.00 64.43 H new ATOM 0 HG22 VAL A 17 12.642 -14.274 4.180 1.00 64.43 H new ATOM 0 HG23 VAL A 17 10.900 -14.312 4.544 1.00 64.43 H new ATOM 250 N ILE A 18 11.823 -12.795 8.863 1.00 20.20 N ATOM 251 CA ILE A 18 12.128 -12.118 10.117 1.00 4.21 C ATOM 252 C ILE A 18 12.861 -13.046 11.079 1.00 21.34 C ATOM 253 O ILE A 18 13.922 -12.704 11.601 1.00 62.42 O ATOM 254 CB ILE A 18 10.850 -11.594 10.799 1.00 54.43 C ATOM 255 CG1 ILE A 18 10.220 -10.479 9.963 1.00 21.40 C ATOM 256 CG2 ILE A 18 11.164 -11.098 12.202 1.00 35.43 C ATOM 257 CD1 ILE A 18 8.743 -10.288 10.227 1.00 14.31 C ATOM 0 H ILE A 18 10.854 -12.702 8.558 1.00 20.20 H new ATOM 0 HA ILE A 18 12.771 -11.273 9.871 1.00 4.21 H new ATOM 0 HB ILE A 18 10.135 -12.413 10.876 1.00 54.43 H new ATOM 0 HG12 ILE A 18 10.741 -9.544 10.167 1.00 21.40 H new ATOM 0 HG13 ILE A 18 10.366 -10.701 8.906 1.00 21.40 H new ATOM 0 HG21 ILE A 18 10.251 -10.731 12.671 1.00 35.43 H new ATOM 0 HG22 ILE A 18 11.572 -11.917 12.794 1.00 35.43 H new ATOM 0 HG23 ILE A 18 11.894 -10.290 12.148 1.00 35.43 H new ATOM 0 HD11 ILE A 18 8.363 -9.482 9.600 1.00 14.31 H new ATOM 0 HD12 ILE A 18 8.210 -11.210 9.995 1.00 14.31 H new ATOM 0 HD13 ILE A 18 8.591 -10.035 11.276 1.00 14.31 H new ATOM 269 N GLY A 19 12.289 -14.223 11.309 1.00 20.44 N ATOM 270 CA GLY A 19 12.902 -15.184 12.208 1.00 33.42 C ATOM 271 C GLY A 19 14.109 -15.864 11.593 1.00 43.03 C ATOM 272 O GLY A 19 14.979 -16.363 12.307 1.00 24.14 O ATOM 0 H GLY A 19 11.411 -14.529 10.889 1.00 20.44 H new ATOM 0 HA2 GLY A 19 13.202 -14.678 13.126 1.00 33.42 H new ATOM 0 HA3 GLY A 19 12.166 -15.938 12.486 1.00 33.42 H new ATOM 276 N CYS A 20 14.162 -15.885 10.266 1.00 11.52 N ATOM 277 CA CYS A 20 15.270 -16.511 9.555 1.00 1.22 C ATOM 278 C CYS A 20 16.581 -15.792 9.850 1.00 65.11 C ATOM 279 O CYS A 20 17.580 -16.418 10.208 1.00 25.20 O ATOM 280 CB CYS A 20 15.002 -16.512 8.049 1.00 12.21 C ATOM 281 SG CYS A 20 14.455 -18.107 7.397 1.00 23.42 S ATOM 0 H CYS A 20 13.450 -15.476 9.661 1.00 11.52 H new ATOM 0 HA CYS A 20 15.356 -17.541 9.902 1.00 1.22 H new ATOM 0 HB2 CYS A 20 14.244 -15.761 7.825 1.00 12.21 H new ATOM 0 HB3 CYS A 20 15.912 -16.212 7.529 1.00 12.21 H new ATOM 0 HG CYS A 20 13.158 -18.177 7.452 1.00 23.42 H new ATOM 287 N LEU A 21 16.574 -14.471 9.697 1.00 53.41 N ATOM 288 CA LEU A 21 17.763 -13.665 9.946 1.00 51.22 C ATOM 289 C LEU A 21 17.638 -12.901 11.260 1.00 15.30 C ATOM 290 O LEU A 21 18.500 -12.094 11.605 1.00 53.22 O ATOM 291 CB LEU A 21 17.990 -12.686 8.792 1.00 25.12 C ATOM 292 CG LEU A 21 16.750 -12.309 7.979 1.00 53.32 C ATOM 293 CD1 LEU A 21 16.917 -10.929 7.362 1.00 4.41 C ATOM 294 CD2 LEU A 21 16.486 -13.349 6.899 1.00 52.43 C ATOM 0 H LEU A 21 15.757 -13.936 9.402 1.00 53.41 H new ATOM 0 HA LEU A 21 18.619 -14.336 10.018 1.00 51.22 H new ATOM 0 HB2 LEU A 21 18.426 -11.773 9.197 1.00 25.12 H new ATOM 0 HB3 LEU A 21 18.727 -13.118 8.115 1.00 25.12 H new ATOM 0 HG LEU A 21 15.891 -12.284 8.650 1.00 53.32 H new ATOM 0 HD11 LEU A 21 16.026 -10.677 6.787 1.00 4.41 H new ATOM 0 HD12 LEU A 21 17.060 -10.192 8.152 1.00 4.41 H new ATOM 0 HD13 LEU A 21 17.786 -10.928 6.704 1.00 4.41 H new ATOM 0 HD21 LEU A 21 15.601 -13.066 6.330 1.00 52.43 H new ATOM 0 HD22 LEU A 21 17.345 -13.405 6.230 1.00 52.43 H new ATOM 0 HD23 LEU A 21 16.323 -14.322 7.363 1.00 52.43 H new ATOM 306 N LYS A 22 16.560 -13.163 11.990 1.00 1.40 N ATOM 307 CA LYS A 22 16.323 -12.503 13.268 1.00 75.54 C ATOM 308 C LYS A 22 16.426 -10.989 13.127 1.00 52.33 C ATOM 309 O LYS A 22 17.509 -10.415 13.256 1.00 32.45 O ATOM 310 CB LYS A 22 17.324 -12.999 14.314 1.00 53.14 C ATOM 311 CG LYS A 22 17.464 -14.510 14.355 1.00 11.31 C ATOM 312 CD LYS A 22 16.191 -15.175 14.854 1.00 24.50 C ATOM 313 CE LYS A 22 16.354 -16.685 14.956 1.00 14.00 C ATOM 314 NZ LYS A 22 17.493 -17.061 15.838 1.00 54.14 N ATOM 0 H LYS A 22 15.836 -13.828 11.718 1.00 1.40 H new ATOM 0 HA LYS A 22 15.313 -12.750 13.594 1.00 75.54 H new ATOM 0 HB2 LYS A 22 18.299 -12.558 14.109 1.00 53.14 H new ATOM 0 HB3 LYS A 22 17.014 -12.645 15.297 1.00 53.14 H new ATOM 0 HG2 LYS A 22 17.703 -14.881 13.358 1.00 11.31 H new ATOM 0 HG3 LYS A 22 18.296 -14.782 15.004 1.00 11.31 H new ATOM 0 HD2 LYS A 22 15.926 -14.770 15.831 1.00 24.50 H new ATOM 0 HD3 LYS A 22 15.368 -14.942 14.178 1.00 24.50 H new ATOM 0 HE2 LYS A 22 15.435 -17.124 15.343 1.00 14.00 H new ATOM 0 HE3 LYS A 22 16.512 -17.101 13.961 1.00 14.00 H new ATOM 0 HZ1 LYS A 22 17.403 -18.059 16.115 1.00 54.14 H new ATOM 0 HZ2 LYS A 22 18.388 -16.923 15.327 1.00 54.14 H new ATOM 0 HZ3 LYS A 22 17.485 -16.464 16.689 1.00 54.14 H new ATOM 328 N LEU A 23 15.295 -10.345 12.862 1.00 63.12 N ATOM 329 CA LEU A 23 15.258 -8.895 12.704 1.00 10.22 C ATOM 330 C LEU A 23 14.823 -8.217 14.000 1.00 71.20 C ATOM 331 O LEU A 23 14.372 -8.876 14.935 1.00 42.11 O ATOM 332 CB LEU A 23 14.308 -8.509 11.569 1.00 24.31 C ATOM 333 CG LEU A 23 14.855 -8.672 10.151 1.00 34.40 C ATOM 334 CD1 LEU A 23 16.138 -7.873 9.979 1.00 62.24 C ATOM 335 CD2 LEU A 23 15.095 -10.142 9.837 1.00 71.34 C ATOM 0 H LEU A 23 14.391 -10.804 12.752 1.00 63.12 H new ATOM 0 HA LEU A 23 16.264 -8.556 12.458 1.00 10.22 H new ATOM 0 HB2 LEU A 23 13.403 -9.110 11.659 1.00 24.31 H new ATOM 0 HB3 LEU A 23 14.014 -7.468 11.706 1.00 24.31 H new ATOM 0 HG LEU A 23 14.114 -8.287 9.450 1.00 34.40 H new ATOM 0 HD11 LEU A 23 16.513 -8.001 8.964 1.00 62.24 H new ATOM 0 HD12 LEU A 23 15.936 -6.817 10.161 1.00 62.24 H new ATOM 0 HD13 LEU A 23 16.885 -8.227 10.689 1.00 62.24 H new ATOM 0 HD21 LEU A 23 15.484 -10.239 8.823 1.00 71.34 H new ATOM 0 HD22 LEU A 23 15.817 -10.552 10.544 1.00 71.34 H new ATOM 0 HD23 LEU A 23 14.156 -10.690 9.919 1.00 71.34 H new ATOM 347 N ASN A 24 14.961 -6.896 14.046 1.00 45.20 N ATOM 348 CA ASN A 24 14.579 -6.128 15.226 1.00 65.04 C ATOM 349 C ASN A 24 13.432 -5.176 14.908 1.00 22.23 C ATOM 350 O ASN A 24 12.890 -5.187 13.802 1.00 61.52 O ATOM 351 CB ASN A 24 15.780 -5.341 15.756 1.00 25.14 C ATOM 352 CG ASN A 24 17.066 -6.140 15.701 1.00 24.34 C ATOM 353 OD1 ASN A 24 17.731 -6.196 14.666 1.00 75.32 O ATOM 354 ND2 ASN A 24 17.424 -6.765 16.817 1.00 12.31 N ATOM 0 H ASN A 24 15.334 -6.335 13.280 1.00 45.20 H new ATOM 0 HA ASN A 24 14.243 -6.827 15.992 1.00 65.04 H new ATOM 0 HB2 ASN A 24 15.898 -4.428 15.173 1.00 25.14 H new ATOM 0 HB3 ASN A 24 15.587 -5.039 16.785 1.00 25.14 H new ATOM 0 HD21 ASN A 24 18.280 -7.319 16.839 1.00 12.31 H new ATOM 0 HD22 ASN A 24 16.843 -6.691 17.652 1.00 12.31 H new ATOM 361 N ASP A 25 13.067 -4.352 15.883 1.00 44.23 N ATOM 362 CA ASP A 25 11.984 -3.390 15.708 1.00 34.40 C ATOM 363 C ASP A 25 12.328 -2.377 14.620 1.00 23.34 C ATOM 364 O ASP A 25 11.457 -1.939 13.870 1.00 45.40 O ATOM 365 CB ASP A 25 11.698 -2.666 17.024 1.00 1.51 C ATOM 366 CG ASP A 25 11.744 -3.597 18.219 1.00 64.32 C ATOM 367 OD1 ASP A 25 10.740 -4.297 18.465 1.00 20.14 O ATOM 368 OD2 ASP A 25 12.785 -3.626 18.909 1.00 24.33 O ATOM 0 H ASP A 25 13.505 -4.330 16.804 1.00 44.23 H new ATOM 0 HA ASP A 25 11.092 -3.936 15.402 1.00 34.40 H new ATOM 0 HB2 ASP A 25 12.427 -1.867 17.161 1.00 1.51 H new ATOM 0 HB3 ASP A 25 10.716 -2.196 16.971 1.00 1.51 H new ATOM 373 N GLU A 26 13.603 -2.011 14.541 1.00 23.44 N ATOM 374 CA GLU A 26 14.062 -1.049 13.547 1.00 51.55 C ATOM 375 C GLU A 26 14.074 -1.670 12.153 1.00 41.22 C ATOM 376 O GLU A 26 13.575 -1.081 11.195 1.00 64.53 O ATOM 377 CB GLU A 26 15.460 -0.540 13.902 1.00 23.33 C ATOM 378 CG GLU A 26 15.469 0.470 15.037 1.00 11.13 C ATOM 379 CD GLU A 26 16.819 1.140 15.212 1.00 33.12 C ATOM 380 OE1 GLU A 26 17.680 0.566 15.910 1.00 53.41 O ATOM 381 OE2 GLU A 26 17.013 2.238 14.649 1.00 10.11 O ATOM 0 H GLU A 26 14.337 -2.366 15.154 1.00 23.44 H new ATOM 0 HA GLU A 26 13.368 -0.209 13.546 1.00 51.55 H new ATOM 0 HB2 GLU A 26 16.088 -1.388 14.176 1.00 23.33 H new ATOM 0 HB3 GLU A 26 15.907 -0.085 13.018 1.00 23.33 H new ATOM 0 HG2 GLU A 26 14.712 1.231 14.847 1.00 11.13 H new ATOM 0 HG3 GLU A 26 15.193 -0.030 15.965 1.00 11.13 H new ATOM 388 N GLN A 27 14.648 -2.865 12.050 1.00 43.14 N ATOM 389 CA GLN A 27 14.727 -3.566 10.774 1.00 70.43 C ATOM 390 C GLN A 27 13.335 -3.800 10.195 1.00 74.33 C ATOM 391 O GLN A 27 13.145 -3.775 8.979 1.00 70.11 O ATOM 392 CB GLN A 27 15.453 -4.902 10.946 1.00 60.33 C ATOM 393 CG GLN A 27 16.754 -4.792 11.724 1.00 35.01 C ATOM 394 CD GLN A 27 17.627 -3.649 11.242 1.00 64.11 C ATOM 395 OE1 GLN A 27 17.571 -3.260 10.076 1.00 33.13 O ATOM 396 NE2 GLN A 27 18.441 -3.107 12.140 1.00 31.11 N ATOM 0 H GLN A 27 15.065 -3.367 12.834 1.00 43.14 H new ATOM 0 HA GLN A 27 15.289 -2.942 10.079 1.00 70.43 H new ATOM 0 HB2 GLN A 27 14.792 -5.602 11.457 1.00 60.33 H new ATOM 0 HB3 GLN A 27 15.662 -5.322 9.962 1.00 60.33 H new ATOM 0 HG2 GLN A 27 16.530 -4.652 12.782 1.00 35.01 H new ATOM 0 HG3 GLN A 27 17.306 -5.728 11.636 1.00 35.01 H new ATOM 0 HE21 GLN A 27 18.454 -3.462 13.096 1.00 31.11 H new ATOM 0 HE22 GLN A 27 19.053 -2.336 11.874 1.00 31.11 H new ATOM 405 N LYS A 28 12.366 -4.030 11.073 1.00 33.40 N ATOM 406 CA LYS A 28 10.990 -4.268 10.651 1.00 0.31 C ATOM 407 C LYS A 28 10.324 -2.969 10.208 1.00 73.13 C ATOM 408 O LYS A 28 9.354 -2.986 9.451 1.00 33.23 O ATOM 409 CB LYS A 28 10.188 -4.903 11.789 1.00 10.45 C ATOM 410 CG LYS A 28 10.438 -6.393 11.952 1.00 2.22 C ATOM 411 CD LYS A 28 9.806 -6.928 13.225 1.00 53.25 C ATOM 412 CE LYS A 28 8.290 -6.810 13.187 1.00 14.30 C ATOM 413 NZ LYS A 28 7.672 -7.184 14.489 1.00 1.02 N ATOM 0 H LYS A 28 12.507 -4.057 12.083 1.00 33.40 H new ATOM 0 HA LYS A 28 11.010 -4.953 9.803 1.00 0.31 H new ATOM 0 HB2 LYS A 28 10.435 -4.397 12.723 1.00 10.45 H new ATOM 0 HB3 LYS A 28 9.126 -4.739 11.609 1.00 10.45 H new ATOM 0 HG2 LYS A 28 10.034 -6.927 11.092 1.00 2.22 H new ATOM 0 HG3 LYS A 28 11.511 -6.583 11.970 1.00 2.22 H new ATOM 0 HD2 LYS A 28 10.087 -7.972 13.361 1.00 53.25 H new ATOM 0 HD3 LYS A 28 10.193 -6.379 14.083 1.00 53.25 H new ATOM 0 HE2 LYS A 28 8.012 -5.787 12.933 1.00 14.30 H new ATOM 0 HE3 LYS A 28 7.895 -7.452 12.400 1.00 14.30 H new ATOM 0 HZ1 LYS A 28 6.638 -7.090 14.422 1.00 1.02 H new ATOM 0 HZ2 LYS A 28 7.916 -8.168 14.719 1.00 1.02 H new ATOM 0 HZ3 LYS A 28 8.029 -6.555 15.236 1.00 1.02 H new ATOM 427 N GLN A 29 10.852 -1.847 10.684 1.00 54.00 N ATOM 428 CA GLN A 29 10.308 -0.539 10.336 1.00 31.22 C ATOM 429 C GLN A 29 10.982 0.014 9.084 1.00 50.15 C ATOM 430 O GLN A 29 10.370 0.758 8.317 1.00 72.44 O ATOM 431 CB GLN A 29 10.486 0.437 11.500 1.00 30.00 C ATOM 432 CG GLN A 29 9.650 0.087 12.720 1.00 61.43 C ATOM 433 CD GLN A 29 8.231 0.611 12.625 1.00 52.42 C ATOM 434 OE1 GLN A 29 7.279 -0.160 12.505 1.00 3.31 O ATOM 435 NE2 GLN A 29 8.081 1.930 12.679 1.00 52.22 N ATOM 0 H GLN A 29 11.656 -1.816 11.311 1.00 54.00 H new ATOM 0 HA GLN A 29 9.244 -0.658 10.131 1.00 31.22 H new ATOM 0 HB2 GLN A 29 11.538 0.461 11.785 1.00 30.00 H new ATOM 0 HB3 GLN A 29 10.223 1.441 11.165 1.00 30.00 H new ATOM 0 HG2 GLN A 29 9.626 -0.996 12.841 1.00 61.43 H new ATOM 0 HG3 GLN A 29 10.126 0.497 13.611 1.00 61.43 H new ATOM 0 HE21 GLN A 29 8.898 2.533 12.779 1.00 52.22 H new ATOM 0 HE22 GLN A 29 7.149 2.340 12.620 1.00 52.22 H new ATOM 444 N ILE A 30 12.243 -0.352 8.886 1.00 2.02 N ATOM 445 CA ILE A 30 12.998 0.108 7.727 1.00 13.22 C ATOM 446 C ILE A 30 12.912 -0.894 6.581 1.00 11.13 C ATOM 447 O ILE A 30 13.731 -0.875 5.661 1.00 22.43 O ATOM 448 CB ILE A 30 14.480 0.342 8.077 1.00 43.52 C ATOM 449 CG1 ILE A 30 15.168 -0.986 8.397 1.00 24.21 C ATOM 450 CG2 ILE A 30 14.600 1.303 9.251 1.00 14.42 C ATOM 451 CD1 ILE A 30 16.054 -1.491 7.281 1.00 63.02 C ATOM 0 H ILE A 30 12.764 -0.966 9.513 1.00 2.02 H new ATOM 0 HA ILE A 30 12.552 1.053 7.416 1.00 13.22 H new ATOM 0 HB ILE A 30 14.976 0.787 7.214 1.00 43.52 H new ATOM 0 HG12 ILE A 30 15.767 -0.867 9.300 1.00 24.21 H new ATOM 0 HG13 ILE A 30 14.408 -1.736 8.615 1.00 24.21 H new ATOM 0 HG21 ILE A 30 15.653 1.459 9.487 1.00 14.42 H new ATOM 0 HG22 ILE A 30 14.142 2.257 8.989 1.00 14.42 H new ATOM 0 HG23 ILE A 30 14.092 0.883 10.119 1.00 14.42 H new ATOM 0 HD11 ILE A 30 16.509 -2.436 7.577 1.00 63.02 H new ATOM 0 HD12 ILE A 30 15.456 -1.642 6.382 1.00 63.02 H new ATOM 0 HD13 ILE A 30 16.836 -0.759 7.078 1.00 63.02 H new ATOM 463 N LEU A 31 11.912 -1.768 6.640 1.00 64.14 N ATOM 464 CA LEU A 31 11.717 -2.778 5.606 1.00 21.12 C ATOM 465 C LEU A 31 10.682 -2.317 4.584 1.00 14.43 C ATOM 466 O LEU A 31 9.825 -1.486 4.885 1.00 1.54 O ATOM 467 CB LEU A 31 11.275 -4.101 6.234 1.00 41.11 C ATOM 468 CG LEU A 31 11.767 -5.371 5.540 1.00 20.21 C ATOM 469 CD1 LEU A 31 11.902 -6.508 6.541 1.00 40.33 C ATOM 470 CD2 LEU A 31 10.825 -5.760 4.411 1.00 12.21 C ATOM 0 H LEU A 31 11.224 -1.797 7.393 1.00 64.14 H new ATOM 0 HA LEU A 31 12.667 -2.926 5.093 1.00 21.12 H new ATOM 0 HB2 LEU A 31 11.617 -4.121 7.269 1.00 41.11 H new ATOM 0 HB3 LEU A 31 10.185 -4.123 6.258 1.00 41.11 H new ATOM 0 HG LEU A 31 12.750 -5.172 5.113 1.00 20.21 H new ATOM 0 HD11 LEU A 31 12.253 -7.404 6.029 1.00 40.33 H new ATOM 0 HD12 LEU A 31 12.617 -6.228 7.315 1.00 40.33 H new ATOM 0 HD13 LEU A 31 10.933 -6.708 6.998 1.00 40.33 H new ATOM 0 HD21 LEU A 31 11.191 -6.666 3.928 1.00 12.21 H new ATOM 0 HD22 LEU A 31 9.829 -5.941 4.814 1.00 12.21 H new ATOM 0 HD23 LEU A 31 10.780 -4.952 3.680 1.00 12.21 H new ATOM 482 N SER A 32 10.766 -2.865 3.376 1.00 11.55 N ATOM 483 CA SER A 32 9.839 -2.508 2.309 1.00 52.24 C ATOM 484 C SER A 32 9.837 -3.570 1.214 1.00 35.45 C ATOM 485 O SER A 32 10.777 -4.354 1.092 1.00 30.51 O ATOM 486 CB SER A 32 10.209 -1.147 1.716 1.00 52.12 C ATOM 487 OG SER A 32 9.893 -1.091 0.335 1.00 54.11 O ATOM 0 H SER A 32 11.466 -3.558 3.112 1.00 11.55 H new ATOM 0 HA SER A 32 8.838 -2.449 2.736 1.00 52.24 H new ATOM 0 HB2 SER A 32 9.676 -0.358 2.247 1.00 52.12 H new ATOM 0 HB3 SER A 32 11.274 -0.963 1.857 1.00 52.12 H new ATOM 0 HG SER A 32 10.137 -0.211 -0.021 1.00 54.11 H new ATOM 493 N GLY A 33 8.771 -3.590 0.419 1.00 1.31 N ATOM 494 CA GLY A 33 8.666 -4.559 -0.657 1.00 55.30 C ATOM 495 C GLY A 33 9.732 -4.368 -1.717 1.00 2.44 C ATOM 496 O GLY A 33 10.013 -5.278 -2.497 1.00 22.34 O ATOM 0 H GLY A 33 7.979 -2.953 0.501 1.00 1.31 H new ATOM 0 HA2 GLY A 33 8.745 -5.565 -0.245 1.00 55.30 H new ATOM 0 HA3 GLY A 33 7.682 -4.480 -1.118 1.00 55.30 H new ATOM 500 N THR A 34 10.328 -3.180 -1.747 1.00 51.35 N ATOM 501 CA THR A 34 11.367 -2.870 -2.721 1.00 3.10 C ATOM 502 C THR A 34 12.715 -2.661 -2.039 1.00 64.01 C ATOM 503 O THR A 34 13.488 -1.783 -2.424 1.00 73.14 O ATOM 504 CB THR A 34 11.016 -1.611 -3.536 1.00 42.35 C ATOM 505 OG1 THR A 34 11.102 -0.449 -2.703 1.00 2.24 O ATOM 506 CG2 THR A 34 9.617 -1.718 -4.123 1.00 32.33 C ATOM 0 H THR A 34 10.109 -2.416 -1.107 1.00 51.35 H new ATOM 0 HA THR A 34 11.432 -3.724 -3.396 1.00 3.10 H new ATOM 0 HB THR A 34 11.730 -1.525 -4.355 1.00 42.35 H new ATOM 0 HG1 THR A 34 10.879 0.348 -3.229 1.00 2.24 H new ATOM 0 HG21 THR A 34 9.392 -0.817 -4.694 1.00 32.33 H new ATOM 0 HG22 THR A 34 9.563 -2.587 -4.779 1.00 32.33 H new ATOM 0 HG23 THR A 34 8.892 -1.827 -3.317 1.00 32.33 H new ATOM 514 N THR A 35 12.992 -3.475 -1.024 1.00 44.01 N ATOM 515 CA THR A 35 14.247 -3.379 -0.288 1.00 42.43 C ATOM 516 C THR A 35 14.996 -4.706 -0.304 1.00 0.31 C ATOM 517 O THR A 35 14.566 -5.678 0.316 1.00 42.14 O ATOM 518 CB THR A 35 14.009 -2.953 1.172 1.00 23.32 C ATOM 519 OG1 THR A 35 13.378 -1.667 1.211 1.00 14.23 O ATOM 520 CG2 THR A 35 15.322 -2.902 1.940 1.00 52.31 C ATOM 0 H THR A 35 12.364 -4.208 -0.693 1.00 44.01 H new ATOM 0 HA THR A 35 14.850 -2.620 -0.786 1.00 42.43 H new ATOM 0 HB THR A 35 13.358 -3.691 1.642 1.00 23.32 H new ATOM 0 HG1 THR A 35 13.513 -1.263 2.094 1.00 14.23 H new ATOM 0 HG21 THR A 35 15.130 -2.599 2.969 1.00 52.31 H new ATOM 0 HG22 THR A 35 15.786 -3.888 1.933 1.00 52.31 H new ATOM 0 HG23 THR A 35 15.991 -2.182 1.469 1.00 52.31 H new ATOM 528 N ASN A 36 16.118 -4.739 -1.015 1.00 22.34 N ATOM 529 CA ASN A 36 16.927 -5.948 -1.111 1.00 3.42 C ATOM 530 C ASN A 36 17.311 -6.457 0.275 1.00 24.22 C ATOM 531 O ASN A 36 18.194 -5.901 0.931 1.00 54.35 O ATOM 532 CB ASN A 36 18.188 -5.680 -1.935 1.00 23.01 C ATOM 533 CG ASN A 36 18.862 -6.959 -2.394 1.00 71.14 C ATOM 534 OD1 ASN A 36 18.460 -8.057 -2.011 1.00 42.21 O ATOM 535 ND2 ASN A 36 19.894 -6.821 -3.218 1.00 21.54 N ATOM 0 H ASN A 36 16.488 -3.942 -1.533 1.00 22.34 H new ATOM 0 HA ASN A 36 16.332 -6.714 -1.609 1.00 3.42 H new ATOM 0 HB2 ASN A 36 17.929 -5.077 -2.805 1.00 23.01 H new ATOM 0 HB3 ASN A 36 18.890 -5.096 -1.340 1.00 23.01 H new ATOM 0 HD21 ASN A 36 20.388 -7.646 -3.559 1.00 21.54 H new ATOM 0 HD22 ASN A 36 20.193 -5.890 -3.510 1.00 21.54 H new ATOM 542 N LEU A 37 16.642 -7.517 0.717 1.00 42.04 N ATOM 543 CA LEU A 37 16.913 -8.101 2.026 1.00 41.12 C ATOM 544 C LEU A 37 18.295 -8.747 2.059 1.00 34.43 C ATOM 545 O LEU A 37 18.822 -9.054 3.127 1.00 41.43 O ATOM 546 CB LEU A 37 15.844 -9.140 2.373 1.00 32.32 C ATOM 547 CG LEU A 37 14.394 -8.665 2.286 1.00 23.33 C ATOM 548 CD1 LEU A 37 13.748 -9.155 0.999 1.00 44.55 C ATOM 549 CD2 LEU A 37 13.602 -9.139 3.496 1.00 73.30 C ATOM 0 H LEU A 37 15.909 -7.989 0.188 1.00 42.04 H new ATOM 0 HA LEU A 37 16.888 -7.301 2.766 1.00 41.12 H new ATOM 0 HB2 LEU A 37 15.966 -9.994 1.707 1.00 32.32 H new ATOM 0 HB3 LEU A 37 16.028 -9.497 3.386 1.00 32.32 H new ATOM 0 HG LEU A 37 14.390 -7.575 2.279 1.00 23.33 H new ATOM 0 HD11 LEU A 37 12.716 -8.807 0.955 1.00 44.55 H new ATOM 0 HD12 LEU A 37 14.300 -8.765 0.144 1.00 44.55 H new ATOM 0 HD13 LEU A 37 13.765 -10.245 0.975 1.00 44.55 H new ATOM 0 HD21 LEU A 37 12.572 -8.791 3.416 1.00 73.30 H new ATOM 0 HD22 LEU A 37 13.615 -10.228 3.535 1.00 73.30 H new ATOM 0 HD23 LEU A 37 14.051 -8.738 4.405 1.00 73.30 H new ATOM 561 N ALA A 38 18.876 -8.948 0.880 1.00 11.43 N ATOM 562 CA ALA A 38 20.198 -9.553 0.775 1.00 64.01 C ATOM 563 C ALA A 38 21.295 -8.509 0.952 1.00 74.52 C ATOM 564 O ALA A 38 22.276 -8.738 1.660 1.00 11.43 O ATOM 565 CB ALA A 38 20.350 -10.258 -0.566 1.00 72.25 C ATOM 0 H ALA A 38 18.452 -8.701 -0.014 1.00 11.43 H new ATOM 0 HA ALA A 38 20.299 -10.288 1.574 1.00 64.01 H new ATOM 0 HB1 ALA A 38 21.342 -10.705 -0.631 1.00 72.25 H new ATOM 0 HB2 ALA A 38 19.594 -11.038 -0.655 1.00 72.25 H new ATOM 0 HB3 ALA A 38 20.224 -9.536 -1.373 1.00 72.25 H new ATOM 571 N LYS A 39 21.123 -7.361 0.304 1.00 24.43 N ATOM 572 CA LYS A 39 22.099 -6.280 0.391 1.00 74.40 C ATOM 573 C LYS A 39 21.851 -5.421 1.628 1.00 20.11 C ATOM 574 O LYS A 39 22.762 -5.180 2.419 1.00 33.41 O ATOM 575 CB LYS A 39 22.040 -5.410 -0.867 1.00 32.01 C ATOM 576 CG LYS A 39 23.334 -4.670 -1.155 1.00 13.31 C ATOM 577 CD LYS A 39 24.271 -5.499 -2.018 1.00 0.14 C ATOM 578 CE LYS A 39 23.904 -5.403 -3.490 1.00 0.24 C ATOM 579 NZ LYS A 39 25.053 -5.751 -4.372 1.00 32.20 N ATOM 0 H LYS A 39 20.317 -7.155 -0.287 1.00 24.43 H new ATOM 0 HA LYS A 39 23.091 -6.725 0.472 1.00 74.40 H new ATOM 0 HB2 LYS A 39 21.793 -6.039 -1.722 1.00 32.01 H new ATOM 0 HB3 LYS A 39 21.233 -4.685 -0.760 1.00 32.01 H new ATOM 0 HG2 LYS A 39 23.112 -3.729 -1.658 1.00 13.31 H new ATOM 0 HG3 LYS A 39 23.828 -4.420 -0.216 1.00 13.31 H new ATOM 0 HD2 LYS A 39 25.296 -5.158 -1.875 1.00 0.14 H new ATOM 0 HD3 LYS A 39 24.234 -6.541 -1.700 1.00 0.14 H new ATOM 0 HE2 LYS A 39 23.069 -6.071 -3.700 1.00 0.24 H new ATOM 0 HE3 LYS A 39 23.567 -4.391 -3.715 1.00 0.24 H new ATOM 0 HZ1 LYS A 39 24.762 -5.674 -5.368 1.00 32.20 H new ATOM 0 HZ2 LYS A 39 25.841 -5.097 -4.190 1.00 32.20 H new ATOM 0 HZ3 LYS A 39 25.359 -6.725 -4.176 1.00 32.20 H new ATOM 593 N ASP A 40 20.614 -4.966 1.787 1.00 63.34 N ATOM 594 CA ASP A 40 20.246 -4.136 2.929 1.00 12.34 C ATOM 595 C ASP A 40 20.685 -4.787 4.238 1.00 41.35 C ATOM 596 O ASP A 40 21.513 -4.240 4.967 1.00 11.14 O ATOM 597 CB ASP A 40 18.735 -3.897 2.947 1.00 60.32 C ATOM 598 CG ASP A 40 18.360 -2.630 3.689 1.00 10.42 C ATOM 599 OD1 ASP A 40 18.522 -1.534 3.112 1.00 43.03 O ATOM 600 OD2 ASP A 40 17.903 -2.732 4.847 1.00 22.23 O ATOM 0 H ASP A 40 19.849 -5.157 1.140 1.00 63.34 H new ATOM 0 HA ASP A 40 20.757 -3.178 2.830 1.00 12.34 H new ATOM 0 HB2 ASP A 40 18.367 -3.838 1.923 1.00 60.32 H new ATOM 0 HB3 ASP A 40 18.241 -4.749 3.414 1.00 60.32 H new ATOM 605 N PHE A 41 20.124 -5.956 4.528 1.00 51.23 N ATOM 606 CA PHE A 41 20.457 -6.680 5.749 1.00 55.34 C ATOM 607 C PHE A 41 21.789 -7.411 5.604 1.00 13.42 C ATOM 608 O PHE A 41 22.272 -8.037 6.546 1.00 4.32 O ATOM 609 CB PHE A 41 19.350 -7.679 6.093 1.00 32.53 C ATOM 610 CG PHE A 41 18.010 -7.036 6.313 1.00 72.32 C ATOM 611 CD1 PHE A 41 17.887 -5.924 7.129 1.00 12.33 C ATOM 612 CD2 PHE A 41 16.874 -7.545 5.705 1.00 73.13 C ATOM 613 CE1 PHE A 41 16.656 -5.330 7.335 1.00 51.15 C ATOM 614 CE2 PHE A 41 15.641 -6.956 5.906 1.00 63.51 C ATOM 615 CZ PHE A 41 15.531 -5.846 6.721 1.00 32.44 C ATOM 0 H PHE A 41 19.437 -6.422 3.935 1.00 51.23 H new ATOM 0 HA PHE A 41 20.547 -5.954 6.557 1.00 55.34 H new ATOM 0 HB2 PHE A 41 19.266 -8.408 5.287 1.00 32.53 H new ATOM 0 HB3 PHE A 41 19.633 -8.228 6.991 1.00 32.53 H new ATOM 0 HD1 PHE A 41 18.763 -5.516 7.610 1.00 12.33 H new ATOM 0 HD2 PHE A 41 16.953 -8.412 5.066 1.00 73.13 H new ATOM 0 HE1 PHE A 41 16.574 -4.464 7.975 1.00 51.15 H new ATOM 0 HE2 PHE A 41 14.763 -7.363 5.426 1.00 63.51 H new ATOM 0 HZ PHE A 41 14.568 -5.383 6.878 1.00 32.44 H new ATOM 625 N ASN A 42 22.376 -7.327 4.414 1.00 62.01 N ATOM 626 CA ASN A 42 23.651 -7.980 4.143 1.00 43.41 C ATOM 627 C ASN A 42 23.594 -9.458 4.514 1.00 32.20 C ATOM 628 O ASN A 42 24.500 -9.983 5.164 1.00 14.03 O ATOM 629 CB ASN A 42 24.776 -7.291 4.918 1.00 74.50 C ATOM 630 CG ASN A 42 26.114 -7.401 4.214 1.00 43.04 C ATOM 631 OD1 ASN A 42 26.220 -7.148 3.014 1.00 64.32 O ATOM 632 ND2 ASN A 42 27.146 -7.779 4.960 1.00 71.31 N ATOM 0 H ASN A 42 21.989 -6.813 3.623 1.00 62.01 H new ATOM 0 HA ASN A 42 23.853 -7.899 3.075 1.00 43.41 H new ATOM 0 HB2 ASN A 42 24.527 -6.239 5.056 1.00 74.50 H new ATOM 0 HB3 ASN A 42 24.853 -7.734 5.911 1.00 74.50 H new ATOM 0 HD21 ASN A 42 28.072 -7.869 4.542 1.00 71.31 H new ATOM 0 HD22 ASN A 42 27.013 -7.979 5.951 1.00 71.31 H new ATOM 639 N LEU A 43 22.525 -10.128 4.096 1.00 0.14 N ATOM 640 CA LEU A 43 22.349 -11.546 4.384 1.00 4.12 C ATOM 641 C LEU A 43 23.489 -12.367 3.790 1.00 55.50 C ATOM 642 O LEU A 43 24.114 -11.962 2.811 1.00 12.51 O ATOM 643 CB LEU A 43 21.010 -12.037 3.830 1.00 2.23 C ATOM 644 CG LEU A 43 19.760 -11.534 4.554 1.00 32.43 C ATOM 645 CD1 LEU A 43 18.510 -11.872 3.757 1.00 22.23 C ATOM 646 CD2 LEU A 43 19.678 -12.125 5.953 1.00 61.35 C ATOM 0 H LEU A 43 21.767 -9.711 3.556 1.00 0.14 H new ATOM 0 HA LEU A 43 22.357 -11.676 5.466 1.00 4.12 H new ATOM 0 HB2 LEU A 43 20.943 -11.742 2.783 1.00 2.23 H new ATOM 0 HB3 LEU A 43 21.007 -13.127 3.855 1.00 2.23 H new ATOM 0 HG LEU A 43 19.828 -10.450 4.644 1.00 32.43 H new ATOM 0 HD11 LEU A 43 17.631 -11.507 4.287 1.00 22.23 H new ATOM 0 HD12 LEU A 43 18.565 -11.399 2.776 1.00 22.23 H new ATOM 0 HD13 LEU A 43 18.437 -12.953 3.635 1.00 22.23 H new ATOM 0 HD21 LEU A 43 18.782 -11.755 6.452 1.00 61.35 H new ATOM 0 HD22 LEU A 43 19.634 -13.212 5.887 1.00 61.35 H new ATOM 0 HD23 LEU A 43 20.559 -11.832 6.524 1.00 61.35 H new ATOM 658 N ASP A 44 23.752 -13.524 4.389 1.00 13.11 N ATOM 659 CA ASP A 44 24.815 -14.404 3.917 1.00 72.53 C ATOM 660 C ASP A 44 24.262 -15.467 2.972 1.00 75.24 C ATOM 661 O ASP A 44 23.077 -15.798 3.020 1.00 40.44 O ATOM 662 CB ASP A 44 25.516 -15.073 5.101 1.00 51.15 C ATOM 663 CG ASP A 44 26.970 -14.663 5.220 1.00 21.20 C ATOM 664 OD1 ASP A 44 27.295 -13.514 4.854 1.00 30.42 O ATOM 665 OD2 ASP A 44 27.784 -15.492 5.678 1.00 63.34 O ATOM 0 H ASP A 44 23.244 -13.874 5.201 1.00 13.11 H new ATOM 0 HA ASP A 44 25.538 -13.798 3.371 1.00 72.53 H new ATOM 0 HB2 ASP A 44 24.993 -14.816 6.022 1.00 51.15 H new ATOM 0 HB3 ASP A 44 25.455 -16.156 4.991 1.00 51.15 H new ATOM 670 N SER A 45 25.126 -15.995 2.112 1.00 65.32 N ATOM 671 CA SER A 45 24.723 -17.016 1.152 1.00 60.12 C ATOM 672 C SER A 45 24.037 -18.182 1.856 1.00 31.24 C ATOM 673 O SER A 45 23.202 -18.872 1.269 1.00 40.22 O ATOM 674 CB SER A 45 25.938 -17.520 0.371 1.00 63.42 C ATOM 675 OG SER A 45 25.541 -18.315 -0.733 1.00 12.42 O ATOM 0 H SER A 45 26.110 -15.733 2.060 1.00 65.32 H new ATOM 0 HA SER A 45 24.014 -16.566 0.456 1.00 60.12 H new ATOM 0 HB2 SER A 45 26.526 -16.672 0.020 1.00 63.42 H new ATOM 0 HB3 SER A 45 26.582 -18.103 1.030 1.00 63.42 H new ATOM 0 HG SER A 45 26.336 -18.623 -1.217 1.00 12.42 H new ATOM 681 N LEU A 46 24.396 -18.398 3.116 1.00 71.33 N ATOM 682 CA LEU A 46 23.815 -19.481 3.903 1.00 25.25 C ATOM 683 C LEU A 46 22.380 -19.157 4.300 1.00 62.14 C ATOM 684 O LEU A 46 21.475 -19.974 4.123 1.00 62.33 O ATOM 685 CB LEU A 46 24.658 -19.738 5.153 1.00 13.24 C ATOM 686 CG LEU A 46 25.974 -20.486 4.934 1.00 31.11 C ATOM 687 CD1 LEU A 46 27.030 -20.006 5.917 1.00 42.14 C ATOM 688 CD2 LEU A 46 25.763 -21.987 5.067 1.00 75.23 C ATOM 0 H LEU A 46 25.087 -17.838 3.615 1.00 71.33 H new ATOM 0 HA LEU A 46 23.806 -20.380 3.287 1.00 25.25 H new ATOM 0 HB2 LEU A 46 24.882 -18.779 5.619 1.00 13.24 H new ATOM 0 HB3 LEU A 46 24.055 -20.304 5.863 1.00 13.24 H new ATOM 0 HG LEU A 46 26.325 -20.277 3.923 1.00 31.11 H new ATOM 0 HD11 LEU A 46 27.960 -20.549 5.746 1.00 42.14 H new ATOM 0 HD12 LEU A 46 27.202 -18.939 5.774 1.00 42.14 H new ATOM 0 HD13 LEU A 46 26.687 -20.185 6.936 1.00 42.14 H new ATOM 0 HD21 LEU A 46 26.710 -22.503 4.908 1.00 75.23 H new ATOM 0 HD22 LEU A 46 25.389 -22.215 6.065 1.00 75.23 H new ATOM 0 HD23 LEU A 46 25.039 -22.320 4.323 1.00 75.23 H new ATOM 700 N ASP A 47 22.176 -17.958 4.836 1.00 2.12 N ATOM 701 CA ASP A 47 20.849 -17.524 5.256 1.00 55.22 C ATOM 702 C ASP A 47 19.860 -17.602 4.098 1.00 62.23 C ATOM 703 O ASP A 47 18.774 -18.166 4.232 1.00 64.30 O ATOM 704 CB ASP A 47 20.905 -16.094 5.800 1.00 35.55 C ATOM 705 CG ASP A 47 20.352 -15.988 7.208 1.00 1.24 C ATOM 706 OD1 ASP A 47 19.440 -16.771 7.547 1.00 73.34 O ATOM 707 OD2 ASP A 47 20.831 -15.122 7.970 1.00 22.24 O ATOM 0 H ASP A 47 22.913 -17.270 4.990 1.00 2.12 H new ATOM 0 HA ASP A 47 20.508 -18.193 6.047 1.00 55.22 H new ATOM 0 HB2 ASP A 47 21.938 -15.745 5.791 1.00 35.55 H new ATOM 0 HB3 ASP A 47 20.340 -15.435 5.140 1.00 35.55 H new ATOM 712 N PHE A 48 20.242 -17.030 2.961 1.00 64.30 N ATOM 713 CA PHE A 48 19.387 -17.033 1.779 1.00 64.44 C ATOM 714 C PHE A 48 18.929 -18.449 1.443 1.00 11.41 C ATOM 715 O PHE A 48 17.742 -18.695 1.226 1.00 74.22 O ATOM 716 CB PHE A 48 20.130 -16.429 0.585 1.00 22.22 C ATOM 717 CG PHE A 48 19.216 -15.919 -0.492 1.00 52.44 C ATOM 718 CD1 PHE A 48 18.554 -14.711 -0.343 1.00 63.45 C ATOM 719 CD2 PHE A 48 19.020 -16.646 -1.655 1.00 12.05 C ATOM 720 CE1 PHE A 48 17.714 -14.237 -1.332 1.00 14.24 C ATOM 721 CE2 PHE A 48 18.181 -16.178 -2.649 1.00 10.41 C ATOM 722 CZ PHE A 48 17.526 -14.973 -2.487 1.00 43.02 C ATOM 0 H PHE A 48 21.137 -16.559 2.833 1.00 64.30 H new ATOM 0 HA PHE A 48 18.507 -16.427 1.996 1.00 64.44 H new ATOM 0 HB2 PHE A 48 20.759 -15.610 0.935 1.00 22.22 H new ATOM 0 HB3 PHE A 48 20.794 -17.182 0.161 1.00 22.22 H new ATOM 0 HD1 PHE A 48 18.697 -14.133 0.558 1.00 63.45 H new ATOM 0 HD2 PHE A 48 19.529 -17.590 -1.787 1.00 12.05 H new ATOM 0 HE1 PHE A 48 17.205 -13.293 -1.203 1.00 14.24 H new ATOM 0 HE2 PHE A 48 18.038 -16.754 -3.551 1.00 10.41 H new ATOM 0 HZ PHE A 48 16.868 -14.606 -3.261 1.00 43.02 H new ATOM 732 N VAL A 49 19.879 -19.379 1.401 1.00 31.14 N ATOM 733 CA VAL A 49 19.574 -20.771 1.093 1.00 4.02 C ATOM 734 C VAL A 49 18.476 -21.308 2.005 1.00 75.11 C ATOM 735 O VAL A 49 17.483 -21.866 1.537 1.00 13.45 O ATOM 736 CB VAL A 49 20.821 -21.662 1.228 1.00 23.20 C ATOM 737 CG1 VAL A 49 20.459 -23.124 1.020 1.00 42.05 C ATOM 738 CG2 VAL A 49 21.898 -21.226 0.245 1.00 40.22 C ATOM 0 H VAL A 49 20.866 -19.193 1.577 1.00 31.14 H new ATOM 0 HA VAL A 49 19.229 -20.798 0.060 1.00 4.02 H new ATOM 0 HB VAL A 49 21.216 -21.551 2.238 1.00 23.20 H new ATOM 0 HG11 VAL A 49 21.354 -23.738 1.119 1.00 42.05 H new ATOM 0 HG12 VAL A 49 19.726 -23.427 1.768 1.00 42.05 H new ATOM 0 HG13 VAL A 49 20.037 -23.256 0.024 1.00 42.05 H new ATOM 0 HG21 VAL A 49 22.772 -21.868 0.355 1.00 40.22 H new ATOM 0 HG22 VAL A 49 21.515 -21.305 -0.773 1.00 40.22 H new ATOM 0 HG23 VAL A 49 22.179 -20.192 0.448 1.00 40.22 H new ATOM 748 N ASP A 50 18.662 -21.136 3.309 1.00 22.50 N ATOM 749 CA ASP A 50 17.688 -21.603 4.288 1.00 13.12 C ATOM 750 C ASP A 50 16.344 -20.908 4.091 1.00 71.13 C ATOM 751 O ASP A 50 15.289 -21.484 4.361 1.00 54.43 O ATOM 752 CB ASP A 50 18.201 -21.355 5.708 1.00 0.42 C ATOM 753 CG ASP A 50 19.228 -22.383 6.139 1.00 65.22 C ATOM 754 OD1 ASP A 50 20.115 -22.713 5.325 1.00 24.13 O ATOM 755 OD2 ASP A 50 19.145 -22.857 7.292 1.00 60.22 O ATOM 0 H ASP A 50 19.478 -20.677 3.712 1.00 22.50 H new ATOM 0 HA ASP A 50 17.548 -22.674 4.142 1.00 13.12 H new ATOM 0 HB2 ASP A 50 18.642 -20.360 5.763 1.00 0.42 H new ATOM 0 HB3 ASP A 50 17.361 -21.371 6.403 1.00 0.42 H new ATOM 760 N LEU A 51 16.389 -19.666 3.622 1.00 21.14 N ATOM 761 CA LEU A 51 15.176 -18.891 3.388 1.00 73.32 C ATOM 762 C LEU A 51 14.364 -19.482 2.240 1.00 12.04 C ATOM 763 O LEU A 51 13.202 -19.851 2.414 1.00 41.05 O ATOM 764 CB LEU A 51 15.527 -17.435 3.083 1.00 42.44 C ATOM 765 CG LEU A 51 15.437 -16.461 4.259 1.00 31.31 C ATOM 766 CD1 LEU A 51 16.392 -15.294 4.060 1.00 12.25 C ATOM 767 CD2 LEU A 51 14.010 -15.961 4.429 1.00 62.45 C ATOM 0 H LEU A 51 17.253 -19.174 3.396 1.00 21.14 H new ATOM 0 HA LEU A 51 14.571 -18.930 4.294 1.00 73.32 H new ATOM 0 HB2 LEU A 51 16.542 -17.402 2.687 1.00 42.44 H new ATOM 0 HB3 LEU A 51 14.865 -17.081 2.293 1.00 42.44 H new ATOM 0 HG LEU A 51 15.726 -16.990 5.167 1.00 31.31 H new ATOM 0 HD11 LEU A 51 16.314 -14.612 4.906 1.00 12.25 H new ATOM 0 HD12 LEU A 51 17.413 -15.668 3.988 1.00 12.25 H new ATOM 0 HD13 LEU A 51 16.134 -14.765 3.143 1.00 12.25 H new ATOM 0 HD21 LEU A 51 13.965 -15.269 5.270 1.00 62.45 H new ATOM 0 HD22 LEU A 51 13.693 -15.449 3.520 1.00 62.45 H new ATOM 0 HD23 LEU A 51 13.348 -16.806 4.618 1.00 62.45 H new ATOM 779 N ILE A 52 14.984 -19.569 1.069 1.00 42.41 N ATOM 780 CA ILE A 52 14.320 -20.119 -0.107 1.00 64.52 C ATOM 781 C ILE A 52 13.847 -21.547 0.145 1.00 62.04 C ATOM 782 O ILE A 52 12.772 -21.943 -0.302 1.00 73.21 O ATOM 783 CB ILE A 52 15.250 -20.108 -1.336 1.00 52.01 C ATOM 784 CG1 ILE A 52 16.559 -20.832 -1.018 1.00 60.25 C ATOM 785 CG2 ILE A 52 15.522 -18.678 -1.779 1.00 40.14 C ATOM 786 CD1 ILE A 52 17.568 -20.776 -2.143 1.00 45.42 C ATOM 0 H ILE A 52 15.945 -19.266 0.908 1.00 42.41 H new ATOM 0 HA ILE A 52 13.458 -19.483 -0.308 1.00 64.52 H new ATOM 0 HB ILE A 52 14.756 -20.634 -2.153 1.00 52.01 H new ATOM 0 HG12 ILE A 52 17.000 -20.393 -0.123 1.00 60.25 H new ATOM 0 HG13 ILE A 52 16.341 -21.875 -0.787 1.00 60.25 H new ATOM 0 HG21 ILE A 52 16.180 -18.685 -2.648 1.00 40.14 H new ATOM 0 HG22 ILE A 52 14.582 -18.193 -2.040 1.00 40.14 H new ATOM 0 HG23 ILE A 52 15.999 -18.130 -0.967 1.00 40.14 H new ATOM 0 HD11 ILE A 52 18.472 -21.310 -1.848 1.00 45.42 H new ATOM 0 HD12 ILE A 52 17.146 -21.242 -3.034 1.00 45.42 H new ATOM 0 HD13 ILE A 52 17.815 -19.737 -2.359 1.00 45.42 H new ATOM 798 N MET A 53 14.658 -22.315 0.866 1.00 51.11 N ATOM 799 CA MET A 53 14.321 -23.698 1.181 1.00 32.40 C ATOM 800 C MET A 53 13.154 -23.763 2.163 1.00 13.42 C ATOM 801 O MET A 53 12.275 -24.616 2.040 1.00 74.24 O ATOM 802 CB MET A 53 15.536 -24.421 1.766 1.00 44.13 C ATOM 803 CG MET A 53 16.599 -24.756 0.732 1.00 25.10 C ATOM 804 SD MET A 53 17.245 -26.428 0.918 1.00 72.30 S ATOM 805 CE MET A 53 15.766 -27.397 0.634 1.00 3.12 C ATOM 0 H MET A 53 15.553 -22.003 1.243 1.00 51.11 H new ATOM 0 HA MET A 53 14.023 -24.193 0.257 1.00 32.40 H new ATOM 0 HB2 MET A 53 15.980 -23.798 2.543 1.00 44.13 H new ATOM 0 HB3 MET A 53 15.204 -25.342 2.246 1.00 44.13 H new ATOM 0 HG2 MET A 53 16.177 -24.642 -0.267 1.00 25.10 H new ATOM 0 HG3 MET A 53 17.419 -24.042 0.815 1.00 25.10 H new ATOM 0 HE1 MET A 53 16.042 -28.377 0.244 1.00 3.12 H new ATOM 0 HE2 MET A 53 15.225 -27.519 1.572 1.00 3.12 H new ATOM 0 HE3 MET A 53 15.129 -26.886 -0.088 1.00 3.12 H new ATOM 815 N SER A 54 13.154 -22.858 3.136 1.00 2.33 N ATOM 816 CA SER A 54 12.098 -22.815 4.140 1.00 62.54 C ATOM 817 C SER A 54 10.742 -22.554 3.491 1.00 44.30 C ATOM 818 O SER A 54 9.787 -23.304 3.698 1.00 20.01 O ATOM 819 CB SER A 54 12.396 -21.734 5.180 1.00 71.54 C ATOM 820 OG SER A 54 11.309 -21.571 6.073 1.00 73.12 O ATOM 0 H SER A 54 13.874 -22.144 3.250 1.00 2.33 H new ATOM 0 HA SER A 54 12.063 -23.785 4.636 1.00 62.54 H new ATOM 0 HB2 SER A 54 13.293 -22.001 5.739 1.00 71.54 H new ATOM 0 HB3 SER A 54 12.603 -20.789 4.678 1.00 71.54 H new ATOM 0 HG SER A 54 11.526 -20.875 6.728 1.00 73.12 H new ATOM 826 N LEU A 55 10.664 -21.484 2.708 1.00 14.25 N ATOM 827 CA LEU A 55 9.425 -21.121 2.028 1.00 10.24 C ATOM 828 C LEU A 55 9.053 -22.167 0.982 1.00 75.25 C ATOM 829 O LEU A 55 7.880 -22.497 0.812 1.00 71.11 O ATOM 830 CB LEU A 55 9.567 -19.749 1.367 1.00 41.14 C ATOM 831 CG LEU A 55 9.145 -18.549 2.216 1.00 21.31 C ATOM 832 CD1 LEU A 55 9.601 -17.251 1.568 1.00 72.20 C ATOM 833 CD2 LEU A 55 7.637 -18.544 2.420 1.00 42.13 C ATOM 0 H LEU A 55 11.444 -20.852 2.528 1.00 14.25 H new ATOM 0 HA LEU A 55 8.629 -21.078 2.771 1.00 10.24 H new ATOM 0 HB2 LEU A 55 10.609 -19.614 1.075 1.00 41.14 H new ATOM 0 HB3 LEU A 55 8.977 -19.746 0.451 1.00 41.14 H new ATOM 0 HG LEU A 55 9.623 -18.632 3.192 1.00 21.31 H new ATOM 0 HD11 LEU A 55 9.292 -16.408 2.186 1.00 72.20 H new ATOM 0 HD12 LEU A 55 10.687 -17.253 1.474 1.00 72.20 H new ATOM 0 HD13 LEU A 55 9.151 -17.160 0.579 1.00 72.20 H new ATOM 0 HD21 LEU A 55 7.355 -17.683 3.026 1.00 42.13 H new ATOM 0 HD22 LEU A 55 7.139 -18.485 1.452 1.00 42.13 H new ATOM 0 HD23 LEU A 55 7.336 -19.460 2.928 1.00 42.13 H new ATOM 845 N GLU A 56 10.059 -22.685 0.285 1.00 54.04 N ATOM 846 CA GLU A 56 9.835 -23.694 -0.743 1.00 2.32 C ATOM 847 C GLU A 56 9.094 -24.899 -0.171 1.00 62.44 C ATOM 848 O GLU A 56 8.072 -25.325 -0.710 1.00 54.25 O ATOM 849 CB GLU A 56 11.168 -24.142 -1.348 1.00 1.43 C ATOM 850 CG GLU A 56 11.021 -25.200 -2.428 1.00 42.31 C ATOM 851 CD GLU A 56 12.309 -25.959 -2.682 1.00 5.51 C ATOM 852 OE1 GLU A 56 12.657 -26.830 -1.857 1.00 62.11 O ATOM 853 OE2 GLU A 56 12.969 -25.682 -3.705 1.00 14.34 O ATOM 0 H GLU A 56 11.036 -22.423 0.413 1.00 54.04 H new ATOM 0 HA GLU A 56 9.220 -23.249 -1.525 1.00 2.32 H new ATOM 0 HB2 GLU A 56 11.677 -23.274 -1.768 1.00 1.43 H new ATOM 0 HB3 GLU A 56 11.805 -24.531 -0.554 1.00 1.43 H new ATOM 0 HG2 GLU A 56 10.241 -25.903 -2.138 1.00 42.31 H new ATOM 0 HG3 GLU A 56 10.695 -24.726 -3.354 1.00 42.31 H new ATOM 860 N GLU A 57 9.616 -25.443 0.924 1.00 54.50 N ATOM 861 CA GLU A 57 9.003 -26.600 1.567 1.00 24.33 C ATOM 862 C GLU A 57 7.703 -26.208 2.266 1.00 63.24 C ATOM 863 O GLU A 57 6.770 -27.006 2.355 1.00 51.32 O ATOM 864 CB GLU A 57 9.971 -27.220 2.578 1.00 70.42 C ATOM 865 CG GLU A 57 10.197 -26.363 3.811 1.00 45.51 C ATOM 866 CD GLU A 57 11.038 -27.061 4.862 1.00 41.40 C ATOM 867 OE1 GLU A 57 12.067 -27.664 4.492 1.00 54.44 O ATOM 868 OE2 GLU A 57 10.667 -27.006 6.052 1.00 54.52 O ATOM 0 H GLU A 57 10.460 -25.102 1.384 1.00 54.50 H new ATOM 0 HA GLU A 57 8.774 -27.335 0.795 1.00 24.33 H new ATOM 0 HB2 GLU A 57 9.586 -28.192 2.887 1.00 70.42 H new ATOM 0 HB3 GLU A 57 10.929 -27.397 2.089 1.00 70.42 H new ATOM 0 HG2 GLU A 57 10.686 -25.434 3.518 1.00 45.51 H new ATOM 0 HG3 GLU A 57 9.233 -26.093 4.243 1.00 45.51 H new ATOM 875 N ARG A 58 7.652 -24.976 2.760 1.00 53.32 N ATOM 876 CA ARG A 58 6.469 -24.480 3.452 1.00 13.33 C ATOM 877 C ARG A 58 5.236 -24.576 2.558 1.00 74.53 C ATOM 878 O ARG A 58 4.230 -25.180 2.932 1.00 31.54 O ATOM 879 CB ARG A 58 6.681 -23.030 3.893 1.00 54.15 C ATOM 880 CG ARG A 58 5.494 -22.441 4.639 1.00 74.42 C ATOM 881 CD ARG A 58 5.725 -22.442 6.142 1.00 52.45 C ATOM 882 NE ARG A 58 6.901 -21.662 6.516 1.00 53.44 N ATOM 883 CZ ARG A 58 7.421 -21.655 7.739 1.00 23.30 C ATOM 884 NH1 ARG A 58 6.870 -22.383 8.701 1.00 42.21 N ATOM 885 NH2 ARG A 58 8.492 -20.918 8.002 1.00 23.43 N ATOM 0 H ARG A 58 8.416 -24.303 2.694 1.00 53.32 H new ATOM 0 HA ARG A 58 6.307 -25.101 4.333 1.00 13.33 H new ATOM 0 HB2 ARG A 58 7.563 -22.978 4.532 1.00 54.15 H new ATOM 0 HB3 ARG A 58 6.887 -22.418 3.015 1.00 54.15 H new ATOM 0 HG2 ARG A 58 5.318 -21.421 4.297 1.00 74.42 H new ATOM 0 HG3 ARG A 58 4.596 -23.014 4.407 1.00 74.42 H new ATOM 0 HD2 ARG A 58 4.847 -22.036 6.644 1.00 52.45 H new ATOM 0 HD3 ARG A 58 5.845 -23.468 6.489 1.00 52.45 H new ATOM 0 HE ARG A 58 7.348 -21.091 5.799 1.00 53.44 H new ATOM 0 HH11 ARG A 58 6.045 -22.950 8.503 1.00 42.21 H new ATOM 0 HH12 ARG A 58 7.271 -22.376 9.639 1.00 42.21 H new ATOM 0 HH21 ARG A 58 8.918 -20.356 7.265 1.00 23.43 H new ATOM 0 HH22 ARG A 58 8.890 -20.914 8.941 1.00 23.43 H new ATOM 899 N PHE A 59 5.321 -23.976 1.375 1.00 13.35 N ATOM 900 CA PHE A 59 4.211 -23.992 0.429 1.00 45.43 C ATOM 901 C PHE A 59 4.424 -25.061 -0.639 1.00 63.14 C ATOM 902 O PHE A 59 3.713 -25.101 -1.643 1.00 53.21 O ATOM 903 CB PHE A 59 4.055 -22.620 -0.230 1.00 45.14 C ATOM 904 CG PHE A 59 3.612 -21.546 0.721 1.00 12.43 C ATOM 905 CD1 PHE A 59 4.530 -20.894 1.527 1.00 75.51 C ATOM 906 CD2 PHE A 59 2.276 -21.188 0.808 1.00 71.35 C ATOM 907 CE1 PHE A 59 4.127 -19.903 2.403 1.00 32.52 C ATOM 908 CE2 PHE A 59 1.866 -20.198 1.682 1.00 62.10 C ATOM 909 CZ PHE A 59 2.792 -19.556 2.482 1.00 34.21 C ATOM 0 H PHE A 59 6.146 -23.473 1.049 1.00 13.35 H new ATOM 0 HA PHE A 59 3.300 -24.228 0.979 1.00 45.43 H new ATOM 0 HB2 PHE A 59 5.006 -22.330 -0.676 1.00 45.14 H new ATOM 0 HB3 PHE A 59 3.332 -22.696 -1.042 1.00 45.14 H new ATOM 0 HD1 PHE A 59 5.574 -21.163 1.471 1.00 75.51 H new ATOM 0 HD2 PHE A 59 1.547 -21.687 0.187 1.00 71.35 H new ATOM 0 HE1 PHE A 59 4.854 -19.401 3.024 1.00 32.52 H new ATOM 0 HE2 PHE A 59 0.822 -19.927 1.739 1.00 62.10 H new ATOM 0 HZ PHE A 59 2.473 -18.785 3.167 1.00 34.21 H new ATOM 919 N SER A 60 5.409 -25.925 -0.415 1.00 31.03 N ATOM 920 CA SER A 60 5.720 -26.992 -1.359 1.00 23.01 C ATOM 921 C SER A 60 5.895 -26.436 -2.769 1.00 74.45 C ATOM 922 O SER A 60 5.629 -27.121 -3.757 1.00 64.52 O ATOM 923 CB SER A 60 4.613 -28.048 -1.350 1.00 35.11 C ATOM 924 OG SER A 60 5.087 -29.289 -1.846 1.00 74.33 O ATOM 0 H SER A 60 6.005 -25.907 0.412 1.00 31.03 H new ATOM 0 HA SER A 60 6.657 -27.455 -1.050 1.00 23.01 H new ATOM 0 HB2 SER A 60 4.238 -28.178 -0.335 1.00 35.11 H new ATOM 0 HB3 SER A 60 3.775 -27.706 -1.958 1.00 35.11 H new ATOM 0 HG SER A 60 5.481 -29.158 -2.734 1.00 74.33 H new ATOM 930 N LEU A 61 6.346 -25.188 -2.854 1.00 21.40 N ATOM 931 CA LEU A 61 6.558 -24.538 -4.142 1.00 71.22 C ATOM 932 C LEU A 61 7.823 -25.062 -4.816 1.00 54.53 C ATOM 933 O LEU A 61 8.734 -25.551 -4.149 1.00 0.43 O ATOM 934 CB LEU A 61 6.655 -23.022 -3.961 1.00 74.25 C ATOM 935 CG LEU A 61 6.921 -22.209 -5.228 1.00 13.52 C ATOM 936 CD1 LEU A 61 5.800 -22.410 -6.236 1.00 25.20 C ATOM 937 CD2 LEU A 61 7.082 -20.734 -4.892 1.00 62.50 C ATOM 0 H LEU A 61 6.571 -24.607 -2.046 1.00 21.40 H new ATOM 0 HA LEU A 61 5.706 -24.768 -4.781 1.00 71.22 H new ATOM 0 HB2 LEU A 61 5.724 -22.669 -3.516 1.00 74.25 H new ATOM 0 HB3 LEU A 61 7.450 -22.812 -3.245 1.00 74.25 H new ATOM 0 HG LEU A 61 7.851 -22.562 -5.675 1.00 13.52 H new ATOM 0 HD11 LEU A 61 6.006 -21.824 -7.131 1.00 25.20 H new ATOM 0 HD12 LEU A 61 5.733 -23.465 -6.501 1.00 25.20 H new ATOM 0 HD13 LEU A 61 4.856 -22.085 -5.799 1.00 25.20 H new ATOM 0 HD21 LEU A 61 7.271 -20.171 -5.806 1.00 62.50 H new ATOM 0 HD22 LEU A 61 6.170 -20.366 -4.421 1.00 62.50 H new ATOM 0 HD23 LEU A 61 7.921 -20.606 -4.208 1.00 62.50 H new ATOM 949 N GLU A 62 7.870 -24.954 -6.139 1.00 64.11 N ATOM 950 CA GLU A 62 9.023 -25.417 -6.902 1.00 40.54 C ATOM 951 C GLU A 62 9.886 -24.241 -7.352 1.00 32.21 C ATOM 952 O GLU A 62 9.628 -23.629 -8.389 1.00 65.30 O ATOM 953 CB GLU A 62 8.568 -26.224 -8.120 1.00 3.23 C ATOM 954 CG GLU A 62 8.234 -27.671 -7.800 1.00 44.02 C ATOM 955 CD GLU A 62 7.552 -28.381 -8.953 1.00 2.22 C ATOM 956 OE1 GLU A 62 8.119 -28.383 -10.066 1.00 33.24 O ATOM 957 OE2 GLU A 62 6.452 -28.934 -8.744 1.00 32.41 O ATOM 0 H GLU A 62 7.124 -24.550 -6.705 1.00 64.11 H new ATOM 0 HA GLU A 62 9.620 -26.058 -6.253 1.00 40.54 H new ATOM 0 HB2 GLU A 62 7.691 -25.745 -8.556 1.00 3.23 H new ATOM 0 HB3 GLU A 62 9.353 -26.200 -8.876 1.00 3.23 H new ATOM 0 HG2 GLU A 62 9.150 -28.203 -7.541 1.00 44.02 H new ATOM 0 HG3 GLU A 62 7.587 -27.705 -6.923 1.00 44.02 H new ATOM 964 N ILE A 63 10.909 -23.930 -6.563 1.00 12.34 N ATOM 965 CA ILE A 63 11.810 -22.828 -6.880 1.00 13.42 C ATOM 966 C ILE A 63 13.120 -23.340 -7.469 1.00 50.35 C ATOM 967 O ILE A 63 13.665 -24.346 -7.014 1.00 1.03 O ATOM 968 CB ILE A 63 12.118 -21.977 -5.633 1.00 13.21 C ATOM 969 CG1 ILE A 63 10.822 -21.453 -5.013 1.00 12.13 C ATOM 970 CG2 ILE A 63 13.044 -20.824 -5.994 1.00 44.33 C ATOM 971 CD1 ILE A 63 11.003 -20.887 -3.622 1.00 31.30 C ATOM 0 H ILE A 63 11.135 -24.425 -5.700 1.00 12.34 H new ATOM 0 HA ILE A 63 11.302 -22.207 -7.618 1.00 13.42 H new ATOM 0 HB ILE A 63 12.621 -22.605 -4.898 1.00 13.21 H new ATOM 0 HG12 ILE A 63 10.406 -20.680 -5.660 1.00 12.13 H new ATOM 0 HG13 ILE A 63 10.094 -22.263 -4.975 1.00 12.13 H new ATOM 0 HG21 ILE A 63 13.252 -20.232 -5.103 1.00 44.33 H new ATOM 0 HG22 ILE A 63 13.978 -21.219 -6.394 1.00 44.33 H new ATOM 0 HG23 ILE A 63 12.566 -20.194 -6.744 1.00 44.33 H new ATOM 0 HD11 ILE A 63 10.043 -20.534 -3.245 1.00 31.30 H new ATOM 0 HD12 ILE A 63 11.390 -21.663 -2.961 1.00 31.30 H new ATOM 0 HD13 ILE A 63 11.707 -20.055 -3.656 1.00 31.30 H new ATOM 983 N SER A 64 13.620 -22.640 -8.482 1.00 62.12 N ATOM 984 CA SER A 64 14.866 -23.025 -9.136 1.00 24.42 C ATOM 985 C SER A 64 15.960 -21.997 -8.868 1.00 43.13 C ATOM 986 O SER A 64 15.787 -21.087 -8.057 1.00 51.43 O ATOM 987 CB SER A 64 14.650 -23.176 -10.643 1.00 11.30 C ATOM 988 OG SER A 64 13.545 -24.020 -10.918 1.00 62.42 O ATOM 0 H SER A 64 13.182 -21.804 -8.868 1.00 62.12 H new ATOM 0 HA SER A 64 15.183 -23.983 -8.724 1.00 24.42 H new ATOM 0 HB2 SER A 64 14.483 -22.196 -11.090 1.00 11.30 H new ATOM 0 HB3 SER A 64 15.549 -23.587 -11.103 1.00 11.30 H new ATOM 0 HG SER A 64 13.427 -24.099 -11.888 1.00 62.42 H new ATOM 994 N ASP A 65 17.087 -22.148 -9.554 1.00 62.34 N ATOM 995 CA ASP A 65 18.210 -21.233 -9.392 1.00 23.42 C ATOM 996 C ASP A 65 17.949 -19.918 -10.121 1.00 74.13 C ATOM 997 O ASP A 65 18.354 -18.851 -9.660 1.00 54.05 O ATOM 998 CB ASP A 65 19.497 -21.873 -9.915 1.00 52.11 C ATOM 999 CG ASP A 65 20.737 -21.302 -9.256 1.00 70.32 C ATOM 1000 OD1 ASP A 65 21.142 -21.826 -8.197 1.00 71.50 O ATOM 1001 OD2 ASP A 65 21.302 -20.329 -9.797 1.00 61.43 O ATOM 0 H ASP A 65 17.247 -22.896 -10.228 1.00 62.34 H new ATOM 0 HA ASP A 65 18.324 -21.022 -8.329 1.00 23.42 H new ATOM 0 HB2 ASP A 65 19.460 -22.949 -9.743 1.00 52.11 H new ATOM 0 HB3 ASP A 65 19.561 -21.725 -10.993 1.00 52.11 H new ATOM 1006 N GLU A 66 17.272 -20.004 -11.263 1.00 21.54 N ATOM 1007 CA GLU A 66 16.961 -18.821 -12.055 1.00 3.53 C ATOM 1008 C GLU A 66 15.835 -18.017 -11.413 1.00 44.45 C ATOM 1009 O GLU A 66 15.883 -16.787 -11.368 1.00 51.24 O ATOM 1010 CB GLU A 66 16.567 -19.223 -13.478 1.00 13.04 C ATOM 1011 CG GLU A 66 17.687 -19.052 -14.491 1.00 65.22 C ATOM 1012 CD GLU A 66 17.483 -19.897 -15.734 1.00 70.22 C ATOM 1013 OE1 GLU A 66 17.719 -21.122 -15.665 1.00 75.31 O ATOM 1014 OE2 GLU A 66 17.088 -19.333 -16.775 1.00 23.41 O ATOM 0 H GLU A 66 16.930 -20.879 -11.659 1.00 21.54 H new ATOM 0 HA GLU A 66 17.853 -18.196 -12.094 1.00 3.53 H new ATOM 0 HB2 GLU A 66 16.246 -20.265 -13.477 1.00 13.04 H new ATOM 0 HB3 GLU A 66 15.711 -18.626 -13.791 1.00 13.04 H new ATOM 0 HG2 GLU A 66 17.756 -18.002 -14.777 1.00 65.22 H new ATOM 0 HG3 GLU A 66 18.636 -19.319 -14.026 1.00 65.22 H new ATOM 1021 N ASP A 67 14.822 -18.719 -10.917 1.00 50.34 N ATOM 1022 CA ASP A 67 13.683 -18.072 -10.275 1.00 4.40 C ATOM 1023 C ASP A 67 14.143 -17.173 -9.130 1.00 63.04 C ATOM 1024 O ASP A 67 13.795 -15.994 -9.076 1.00 63.01 O ATOM 1025 CB ASP A 67 12.701 -19.121 -9.754 1.00 31.35 C ATOM 1026 CG ASP A 67 12.107 -19.961 -10.867 1.00 43.02 C ATOM 1027 OD1 ASP A 67 12.140 -19.513 -12.032 1.00 3.12 O ATOM 1028 OD2 ASP A 67 11.610 -21.068 -10.573 1.00 23.01 O ATOM 0 H ASP A 67 14.766 -19.737 -10.947 1.00 50.34 H new ATOM 0 HA ASP A 67 13.181 -17.454 -11.019 1.00 4.40 H new ATOM 0 HB2 ASP A 67 13.212 -19.772 -9.045 1.00 31.35 H new ATOM 0 HB3 ASP A 67 11.898 -18.624 -9.210 1.00 31.35 H new ATOM 1033 N ALA A 68 14.926 -17.740 -8.218 1.00 50.52 N ATOM 1034 CA ALA A 68 15.433 -16.991 -7.076 1.00 14.12 C ATOM 1035 C ALA A 68 16.473 -15.964 -7.511 1.00 75.14 C ATOM 1036 O ALA A 68 16.714 -14.979 -6.813 1.00 20.01 O ATOM 1037 CB ALA A 68 16.025 -17.940 -6.043 1.00 45.43 C ATOM 0 H ALA A 68 15.223 -18.715 -8.248 1.00 50.52 H new ATOM 0 HA ALA A 68 14.598 -16.455 -6.625 1.00 14.12 H new ATOM 0 HB1 ALA A 68 16.400 -17.367 -5.195 1.00 45.43 H new ATOM 0 HB2 ALA A 68 15.255 -18.632 -5.701 1.00 45.43 H new ATOM 0 HB3 ALA A 68 16.844 -18.502 -6.492 1.00 45.43 H new ATOM 1043 N GLN A 69 17.084 -16.201 -8.667 1.00 33.43 N ATOM 1044 CA GLN A 69 18.100 -15.296 -9.193 1.00 50.50 C ATOM 1045 C GLN A 69 17.531 -13.893 -9.386 1.00 42.43 C ATOM 1046 O GLN A 69 18.276 -12.915 -9.455 1.00 20.02 O ATOM 1047 CB GLN A 69 18.646 -15.825 -10.520 1.00 42.55 C ATOM 1048 CG GLN A 69 20.128 -16.160 -10.478 1.00 42.41 C ATOM 1049 CD GLN A 69 21.005 -14.925 -10.429 1.00 21.43 C ATOM 1050 OE1 GLN A 69 21.449 -14.424 -11.462 1.00 60.33 O ATOM 1051 NE2 GLN A 69 21.259 -14.427 -9.225 1.00 70.11 N ATOM 0 H GLN A 69 16.894 -17.011 -9.257 1.00 33.43 H new ATOM 0 HA GLN A 69 18.913 -15.242 -8.469 1.00 50.50 H new ATOM 0 HB2 GLN A 69 18.088 -16.718 -10.803 1.00 42.55 H new ATOM 0 HB3 GLN A 69 18.472 -15.081 -11.297 1.00 42.55 H new ATOM 0 HG2 GLN A 69 20.332 -16.780 -9.605 1.00 42.41 H new ATOM 0 HG3 GLN A 69 20.388 -16.751 -11.356 1.00 42.41 H new ATOM 0 HE21 GLN A 69 20.870 -14.875 -8.395 1.00 70.11 H new ATOM 0 HE22 GLN A 69 21.843 -13.596 -9.130 1.00 70.11 H new ATOM 1060 N LYS A 70 16.208 -13.804 -9.471 1.00 74.45 N ATOM 1061 CA LYS A 70 15.539 -12.521 -9.655 1.00 1.53 C ATOM 1062 C LYS A 70 14.807 -12.102 -8.384 1.00 1.43 C ATOM 1063 O LYS A 70 14.459 -10.933 -8.212 1.00 51.12 O ATOM 1064 CB LYS A 70 14.553 -12.601 -10.821 1.00 34.22 C ATOM 1065 CG LYS A 70 13.293 -13.385 -10.500 1.00 63.44 C ATOM 1066 CD LYS A 70 12.053 -12.510 -10.582 1.00 33.11 C ATOM 1067 CE LYS A 70 11.414 -12.575 -11.960 1.00 71.42 C ATOM 1068 NZ LYS A 70 10.308 -11.589 -12.105 1.00 44.31 N ATOM 0 H LYS A 70 15.578 -14.604 -9.415 1.00 74.45 H new ATOM 0 HA LYS A 70 16.298 -11.772 -9.879 1.00 1.53 H new ATOM 0 HB2 LYS A 70 14.275 -11.591 -11.121 1.00 34.22 H new ATOM 0 HB3 LYS A 70 15.050 -13.062 -11.675 1.00 34.22 H new ATOM 0 HG2 LYS A 70 13.196 -14.220 -11.194 1.00 63.44 H new ATOM 0 HG3 LYS A 70 13.373 -13.810 -9.500 1.00 63.44 H new ATOM 0 HD2 LYS A 70 11.331 -12.829 -9.830 1.00 33.11 H new ATOM 0 HD3 LYS A 70 12.319 -11.478 -10.352 1.00 33.11 H new ATOM 0 HE2 LYS A 70 12.171 -12.386 -12.721 1.00 71.42 H new ATOM 0 HE3 LYS A 70 11.030 -13.580 -12.135 1.00 71.42 H new ATOM 0 HZ1 LYS A 70 9.898 -11.665 -13.058 1.00 44.31 H new ATOM 0 HZ2 LYS A 70 9.573 -11.785 -11.396 1.00 44.31 H new ATOM 0 HZ3 LYS A 70 10.679 -10.628 -11.963 1.00 44.31 H new ATOM 1082 N LEU A 71 14.579 -13.062 -7.495 1.00 13.15 N ATOM 1083 CA LEU A 71 13.889 -12.793 -6.237 1.00 10.42 C ATOM 1084 C LEU A 71 14.870 -12.319 -5.169 1.00 61.30 C ATOM 1085 O LEU A 71 15.460 -13.128 -4.454 1.00 61.23 O ATOM 1086 CB LEU A 71 13.158 -14.046 -5.755 1.00 23.55 C ATOM 1087 CG LEU A 71 12.061 -14.579 -6.677 1.00 21.50 C ATOM 1088 CD1 LEU A 71 11.516 -15.898 -6.152 1.00 21.03 C ATOM 1089 CD2 LEU A 71 10.942 -13.558 -6.821 1.00 12.53 C ATOM 0 H LEU A 71 14.862 -14.034 -7.621 1.00 13.15 H new ATOM 0 HA LEU A 71 13.161 -12.001 -6.412 1.00 10.42 H new ATOM 0 HB2 LEU A 71 13.894 -14.836 -5.604 1.00 23.55 H new ATOM 0 HB3 LEU A 71 12.715 -13.832 -4.782 1.00 23.55 H new ATOM 0 HG LEU A 71 12.495 -14.755 -7.661 1.00 21.50 H new ATOM 0 HD11 LEU A 71 10.736 -16.262 -6.821 1.00 21.03 H new ATOM 0 HD12 LEU A 71 12.322 -16.630 -6.102 1.00 21.03 H new ATOM 0 HD13 LEU A 71 11.099 -15.749 -5.156 1.00 21.03 H new ATOM 0 HD21 LEU A 71 10.170 -13.955 -7.481 1.00 12.53 H new ATOM 0 HD22 LEU A 71 10.511 -13.350 -5.842 1.00 12.53 H new ATOM 0 HD23 LEU A 71 11.342 -12.637 -7.244 1.00 12.53 H new ATOM 1101 N GLU A 72 15.038 -11.005 -5.067 1.00 14.33 N ATOM 1102 CA GLU A 72 15.947 -10.425 -4.085 1.00 73.52 C ATOM 1103 C GLU A 72 15.209 -9.451 -3.170 1.00 43.43 C ATOM 1104 O GLU A 72 15.782 -8.923 -2.216 1.00 73.12 O ATOM 1105 CB GLU A 72 17.102 -9.708 -4.787 1.00 41.34 C ATOM 1106 CG GLU A 72 16.648 -8.683 -5.814 1.00 21.33 C ATOM 1107 CD GLU A 72 16.246 -7.364 -5.183 1.00 53.11 C ATOM 1108 OE1 GLU A 72 16.578 -7.146 -4.000 1.00 52.00 O ATOM 1109 OE2 GLU A 72 15.600 -6.549 -5.875 1.00 42.31 O ATOM 0 H GLU A 72 14.557 -10.322 -5.652 1.00 14.33 H new ATOM 0 HA GLU A 72 16.349 -11.235 -3.476 1.00 73.52 H new ATOM 0 HB2 GLU A 72 17.719 -9.211 -4.038 1.00 41.34 H new ATOM 0 HB3 GLU A 72 17.733 -10.448 -5.279 1.00 41.34 H new ATOM 0 HG2 GLU A 72 17.452 -8.509 -6.529 1.00 21.33 H new ATOM 0 HG3 GLU A 72 15.804 -9.085 -6.375 1.00 21.33 H new ATOM 1116 N THR A 73 13.935 -9.218 -3.468 1.00 72.44 N ATOM 1117 CA THR A 73 13.119 -8.307 -2.675 1.00 4.34 C ATOM 1118 C THR A 73 11.875 -9.006 -2.142 1.00 12.00 C ATOM 1119 O THR A 73 11.405 -9.986 -2.721 1.00 42.34 O ATOM 1120 CB THR A 73 12.690 -7.076 -3.497 1.00 65.13 C ATOM 1121 OG1 THR A 73 12.434 -7.458 -4.853 1.00 4.12 O ATOM 1122 CG2 THR A 73 13.766 -6.001 -3.462 1.00 4.33 C ATOM 0 H THR A 73 13.446 -9.648 -4.253 1.00 72.44 H new ATOM 0 HA THR A 73 13.735 -7.979 -1.838 1.00 4.34 H new ATOM 0 HB THR A 73 11.779 -6.671 -3.056 1.00 65.13 H new ATOM 0 HG1 THR A 73 12.160 -6.671 -5.369 1.00 4.12 H new ATOM 0 HG21 THR A 73 13.441 -5.142 -4.049 1.00 4.33 H new ATOM 0 HG22 THR A 73 13.938 -5.692 -2.431 1.00 4.33 H new ATOM 0 HG23 THR A 73 14.691 -6.398 -3.881 1.00 4.33 H new ATOM 1130 N VAL A 74 11.342 -8.497 -1.035 1.00 44.25 N ATOM 1131 CA VAL A 74 10.150 -9.071 -0.425 1.00 71.10 C ATOM 1132 C VAL A 74 8.998 -9.133 -1.421 1.00 60.12 C ATOM 1133 O VAL A 74 8.413 -10.192 -1.645 1.00 22.51 O ATOM 1134 CB VAL A 74 9.706 -8.263 0.809 1.00 25.12 C ATOM 1135 CG1 VAL A 74 8.436 -8.853 1.404 1.00 52.13 C ATOM 1136 CG2 VAL A 74 10.819 -8.218 1.845 1.00 34.04 C ATOM 0 H VAL A 74 11.718 -7.687 -0.543 1.00 44.25 H new ATOM 0 HA VAL A 74 10.410 -10.082 -0.113 1.00 71.10 H new ATOM 0 HB VAL A 74 9.492 -7.241 0.495 1.00 25.12 H new ATOM 0 HG11 VAL A 74 8.137 -8.270 2.275 1.00 52.13 H new ATOM 0 HG12 VAL A 74 7.640 -8.828 0.660 1.00 52.13 H new ATOM 0 HG13 VAL A 74 8.620 -9.885 1.704 1.00 52.13 H new ATOM 0 HG21 VAL A 74 10.488 -7.643 2.710 1.00 34.04 H new ATOM 0 HG22 VAL A 74 11.067 -9.233 2.157 1.00 34.04 H new ATOM 0 HG23 VAL A 74 11.701 -7.746 1.412 1.00 34.04 H new ATOM 1146 N ASP A 75 8.677 -7.989 -2.017 1.00 22.54 N ATOM 1147 CA ASP A 75 7.594 -7.913 -2.992 1.00 40.14 C ATOM 1148 C ASP A 75 7.802 -8.923 -4.115 1.00 70.00 C ATOM 1149 O ASP A 75 6.877 -9.635 -4.503 1.00 42.53 O ATOM 1150 CB ASP A 75 7.499 -6.499 -3.569 1.00 63.23 C ATOM 1151 CG ASP A 75 6.217 -6.276 -4.345 1.00 53.41 C ATOM 1152 OD1 ASP A 75 5.523 -7.271 -4.643 1.00 1.32 O ATOM 1153 OD2 ASP A 75 5.906 -5.107 -4.654 1.00 23.41 O ATOM 0 H ASP A 75 9.151 -7.103 -1.842 1.00 22.54 H new ATOM 0 HA ASP A 75 6.661 -8.153 -2.483 1.00 40.14 H new ATOM 0 HB2 ASP A 75 7.560 -5.774 -2.758 1.00 63.23 H new ATOM 0 HB3 ASP A 75 8.352 -6.318 -4.223 1.00 63.23 H new ATOM 1158 N ASP A 76 9.024 -8.976 -4.636 1.00 53.01 N ATOM 1159 CA ASP A 76 9.354 -9.899 -5.717 1.00 32.13 C ATOM 1160 C ASP A 76 9.162 -11.346 -5.274 1.00 4.15 C ATOM 1161 O ASP A 76 8.504 -12.132 -5.956 1.00 73.03 O ATOM 1162 CB ASP A 76 10.796 -9.681 -6.178 1.00 73.52 C ATOM 1163 CG ASP A 76 10.930 -8.497 -7.116 1.00 1.45 C ATOM 1164 OD1 ASP A 76 10.131 -7.546 -6.991 1.00 43.24 O ATOM 1165 OD2 ASP A 76 11.836 -8.522 -7.976 1.00 14.20 O ATOM 0 H ASP A 76 9.801 -8.392 -4.328 1.00 53.01 H new ATOM 0 HA ASP A 76 8.680 -9.701 -6.550 1.00 32.13 H new ATOM 0 HB2 ASP A 76 11.433 -9.525 -5.308 1.00 73.52 H new ATOM 0 HB3 ASP A 76 11.154 -10.580 -6.679 1.00 73.52 H new ATOM 1170 N ILE A 77 9.740 -11.691 -4.128 1.00 33.41 N ATOM 1171 CA ILE A 77 9.633 -13.042 -3.595 1.00 42.01 C ATOM 1172 C ILE A 77 8.174 -13.433 -3.379 1.00 14.23 C ATOM 1173 O ILE A 77 7.708 -14.445 -3.903 1.00 4.43 O ATOM 1174 CB ILE A 77 10.393 -13.185 -2.263 1.00 62.01 C ATOM 1175 CG1 ILE A 77 11.872 -12.843 -2.457 1.00 31.21 C ATOM 1176 CG2 ILE A 77 10.238 -14.594 -1.712 1.00 54.54 C ATOM 1177 CD1 ILE A 77 12.512 -12.220 -1.237 1.00 0.20 C ATOM 0 H ILE A 77 10.287 -11.052 -3.551 1.00 33.41 H new ATOM 0 HA ILE A 77 10.081 -13.708 -4.332 1.00 42.01 H new ATOM 0 HB ILE A 77 9.968 -12.486 -1.542 1.00 62.01 H new ATOM 0 HG12 ILE A 77 12.415 -13.751 -2.719 1.00 31.21 H new ATOM 0 HG13 ILE A 77 11.971 -12.158 -3.299 1.00 31.21 H new ATOM 0 HG21 ILE A 77 10.781 -14.678 -0.771 1.00 54.54 H new ATOM 0 HG22 ILE A 77 9.182 -14.804 -1.542 1.00 54.54 H new ATOM 0 HG23 ILE A 77 10.640 -15.311 -2.428 1.00 54.54 H new ATOM 0 HD11 ILE A 77 13.560 -12.004 -1.446 1.00 0.20 H new ATOM 0 HD12 ILE A 77 11.993 -11.294 -0.987 1.00 0.20 H new ATOM 0 HD13 ILE A 77 12.445 -12.912 -0.397 1.00 0.20 H new ATOM 1189 N CYS A 78 7.460 -12.625 -2.605 1.00 61.25 N ATOM 1190 CA CYS A 78 6.053 -12.885 -2.320 1.00 2.14 C ATOM 1191 C CYS A 78 5.240 -12.954 -3.609 1.00 72.24 C ATOM 1192 O CYS A 78 4.384 -13.823 -3.768 1.00 42.05 O ATOM 1193 CB CYS A 78 5.487 -11.798 -1.404 1.00 33.40 C ATOM 1194 SG CYS A 78 3.868 -12.193 -0.703 1.00 42.35 S ATOM 0 H CYS A 78 7.831 -11.784 -2.163 1.00 61.25 H new ATOM 0 HA CYS A 78 5.983 -13.849 -1.815 1.00 2.14 H new ATOM 0 HB2 CYS A 78 6.190 -11.621 -0.590 1.00 33.40 H new ATOM 0 HB3 CYS A 78 5.410 -10.868 -1.967 1.00 33.40 H new ATOM 0 HG CYS A 78 3.237 -13.005 -1.499 1.00 42.35 H new ATOM 1200 N ARG A 79 5.514 -12.031 -4.525 1.00 42.12 N ATOM 1201 CA ARG A 79 4.808 -11.986 -5.799 1.00 32.51 C ATOM 1202 C ARG A 79 5.004 -13.284 -6.576 1.00 62.11 C ATOM 1203 O ARG A 79 4.076 -13.786 -7.211 1.00 54.33 O ATOM 1204 CB ARG A 79 5.293 -10.800 -6.634 1.00 34.14 C ATOM 1205 CG ARG A 79 4.800 -10.825 -8.072 1.00 33.33 C ATOM 1206 CD ARG A 79 4.190 -9.491 -8.474 1.00 43.34 C ATOM 1207 NE ARG A 79 3.914 -9.426 -9.908 1.00 64.15 N ATOM 1208 CZ ARG A 79 3.226 -8.444 -10.479 1.00 42.12 C ATOM 1209 NH1 ARG A 79 2.747 -7.450 -9.744 1.00 41.13 N ATOM 1210 NH2 ARG A 79 3.017 -8.455 -11.789 1.00 72.00 N ATOM 0 H ARG A 79 6.220 -11.304 -4.408 1.00 42.12 H new ATOM 0 HA ARG A 79 3.745 -11.864 -5.592 1.00 32.51 H new ATOM 0 HB2 ARG A 79 4.963 -9.875 -6.162 1.00 34.14 H new ATOM 0 HB3 ARG A 79 6.383 -10.787 -6.633 1.00 34.14 H new ATOM 0 HG2 ARG A 79 5.629 -11.063 -8.738 1.00 33.33 H new ATOM 0 HG3 ARG A 79 4.059 -11.616 -8.190 1.00 33.33 H new ATOM 0 HD2 ARG A 79 3.265 -9.333 -7.919 1.00 43.34 H new ATOM 0 HD3 ARG A 79 4.869 -8.684 -8.198 1.00 43.34 H new ATOM 0 HE ARG A 79 4.269 -10.175 -10.502 1.00 64.15 H new ATOM 0 HH11 ARG A 79 2.906 -7.438 -8.737 1.00 41.13 H new ATOM 0 HH12 ARG A 79 2.219 -6.697 -10.186 1.00 41.13 H new ATOM 0 HH21 ARG A 79 3.385 -9.218 -12.358 1.00 72.00 H new ATOM 0 HH22 ARG A 79 2.489 -7.701 -12.227 1.00 72.00 H new ATOM 1224 N TYR A 80 6.217 -13.821 -6.522 1.00 65.34 N ATOM 1225 CA TYR A 80 6.537 -15.059 -7.223 1.00 50.23 C ATOM 1226 C TYR A 80 5.821 -16.247 -6.587 1.00 33.42 C ATOM 1227 O TYR A 80 5.307 -17.122 -7.284 1.00 3.40 O ATOM 1228 CB TYR A 80 8.048 -15.298 -7.218 1.00 55.12 C ATOM 1229 CG TYR A 80 8.447 -16.665 -7.726 1.00 74.13 C ATOM 1230 CD1 TYR A 80 8.505 -17.757 -6.869 1.00 52.21 C ATOM 1231 CD2 TYR A 80 8.767 -16.864 -9.064 1.00 64.12 C ATOM 1232 CE1 TYR A 80 8.869 -19.007 -7.330 1.00 73.04 C ATOM 1233 CE2 TYR A 80 9.132 -18.111 -9.533 1.00 4.04 C ATOM 1234 CZ TYR A 80 9.182 -19.179 -8.663 1.00 53.44 C ATOM 1235 OH TYR A 80 9.545 -20.423 -9.125 1.00 12.11 O ATOM 0 H TYR A 80 6.995 -13.419 -6.000 1.00 65.34 H new ATOM 0 HA TYR A 80 6.195 -14.961 -8.253 1.00 50.23 H new ATOM 0 HB2 TYR A 80 8.530 -14.537 -7.832 1.00 55.12 H new ATOM 0 HB3 TYR A 80 8.424 -15.173 -6.202 1.00 55.12 H new ATOM 0 HD1 TYR A 80 8.261 -17.626 -5.825 1.00 52.21 H new ATOM 0 HD2 TYR A 80 8.730 -16.029 -9.749 1.00 64.12 H new ATOM 0 HE1 TYR A 80 8.908 -19.846 -6.651 1.00 73.04 H new ATOM 0 HE2 TYR A 80 9.377 -18.248 -10.576 1.00 4.04 H new ATOM 0 HH TYR A 80 9.870 -20.348 -10.047 1.00 12.11 H new ATOM 1245 N ILE A 81 5.790 -16.268 -5.259 1.00 75.45 N ATOM 1246 CA ILE A 81 5.136 -17.346 -4.527 1.00 44.21 C ATOM 1247 C ILE A 81 3.621 -17.272 -4.677 1.00 45.44 C ATOM 1248 O ILE A 81 2.945 -18.295 -4.768 1.00 63.42 O ATOM 1249 CB ILE A 81 5.496 -17.309 -3.030 1.00 32.32 C ATOM 1250 CG1 ILE A 81 7.008 -17.450 -2.842 1.00 21.53 C ATOM 1251 CG2 ILE A 81 4.759 -18.409 -2.281 1.00 70.44 C ATOM 1252 CD1 ILE A 81 7.453 -17.317 -1.402 1.00 20.45 C ATOM 0 H ILE A 81 6.210 -15.551 -4.668 1.00 75.45 H new ATOM 0 HA ILE A 81 5.495 -18.282 -4.955 1.00 44.21 H new ATOM 0 HB ILE A 81 5.187 -16.347 -2.621 1.00 32.32 H new ATOM 0 HG12 ILE A 81 7.324 -18.421 -3.223 1.00 21.53 H new ATOM 0 HG13 ILE A 81 7.513 -16.692 -3.441 1.00 21.53 H new ATOM 0 HG21 ILE A 81 5.024 -18.370 -1.224 1.00 70.44 H new ATOM 0 HG22 ILE A 81 3.684 -18.267 -2.391 1.00 70.44 H new ATOM 0 HG23 ILE A 81 5.041 -19.379 -2.690 1.00 70.44 H new ATOM 0 HD11 ILE A 81 8.536 -17.428 -1.344 1.00 20.45 H new ATOM 0 HD12 ILE A 81 7.168 -16.336 -1.022 1.00 20.45 H new ATOM 0 HD13 ILE A 81 6.977 -18.091 -0.801 1.00 20.45 H new ATOM 1264 N ALA A 82 3.094 -16.051 -4.703 1.00 24.44 N ATOM 1265 CA ALA A 82 1.659 -15.842 -4.845 1.00 74.32 C ATOM 1266 C ALA A 82 1.182 -16.239 -6.239 1.00 1.20 C ATOM 1267 O ALA A 82 0.170 -16.925 -6.388 1.00 72.43 O ATOM 1268 CB ALA A 82 1.305 -14.391 -4.558 1.00 50.42 C ATOM 0 H ALA A 82 3.640 -15.193 -4.628 1.00 24.44 H new ATOM 0 HA ALA A 82 1.151 -16.478 -4.120 1.00 74.32 H new ATOM 0 HB1 ALA A 82 0.230 -14.250 -4.668 1.00 50.42 H new ATOM 0 HB2 ALA A 82 1.602 -14.139 -3.540 1.00 50.42 H new ATOM 0 HB3 ALA A 82 1.830 -13.743 -5.260 1.00 50.42 H new ATOM 1274 N SER A 83 1.916 -15.802 -7.256 1.00 34.12 N ATOM 1275 CA SER A 83 1.565 -16.106 -8.639 1.00 43.14 C ATOM 1276 C SER A 83 1.421 -17.611 -8.843 1.00 54.13 C ATOM 1277 O SER A 83 0.690 -18.063 -9.725 1.00 22.31 O ATOM 1278 CB SER A 83 2.627 -15.551 -9.591 1.00 1.43 C ATOM 1279 OG SER A 83 2.155 -15.537 -10.928 1.00 10.43 O ATOM 0 H SER A 83 2.758 -15.236 -7.149 1.00 34.12 H new ATOM 0 HA SER A 83 0.608 -15.633 -8.858 1.00 43.14 H new ATOM 0 HB2 SER A 83 2.900 -14.540 -9.287 1.00 1.43 H new ATOM 0 HB3 SER A 83 3.530 -16.158 -9.527 1.00 1.43 H new ATOM 0 HG SER A 83 2.851 -15.177 -11.517 1.00 10.43 H new ATOM 1285 N LYS A 84 2.122 -18.383 -8.020 1.00 42.25 N ATOM 1286 CA LYS A 84 2.073 -19.838 -8.107 1.00 0.24 C ATOM 1287 C LYS A 84 0.801 -20.379 -7.463 1.00 65.15 C ATOM 1288 O LYS A 84 0.136 -21.254 -8.018 1.00 0.04 O ATOM 1289 CB LYS A 84 3.300 -20.452 -7.431 1.00 70.24 C ATOM 1290 CG LYS A 84 4.618 -20.013 -8.047 1.00 52.41 C ATOM 1291 CD LYS A 84 5.005 -20.895 -9.223 1.00 32.14 C ATOM 1292 CE LYS A 84 6.456 -20.682 -9.625 1.00 24.30 C ATOM 1293 NZ LYS A 84 6.851 -21.557 -10.763 1.00 51.04 N ATOM 0 H LYS A 84 2.731 -18.025 -7.284 1.00 42.25 H new ATOM 0 HA LYS A 84 2.071 -20.114 -9.162 1.00 0.24 H new ATOM 0 HB2 LYS A 84 3.295 -20.183 -6.375 1.00 70.24 H new ATOM 0 HB3 LYS A 84 3.228 -21.538 -7.484 1.00 70.24 H new ATOM 0 HG2 LYS A 84 4.539 -18.978 -8.378 1.00 52.41 H new ATOM 0 HG3 LYS A 84 5.403 -20.047 -7.292 1.00 52.41 H new ATOM 0 HD2 LYS A 84 4.849 -21.942 -8.961 1.00 32.14 H new ATOM 0 HD3 LYS A 84 4.356 -20.678 -10.071 1.00 32.14 H new ATOM 0 HE2 LYS A 84 6.607 -19.638 -9.900 1.00 24.30 H new ATOM 0 HE3 LYS A 84 7.103 -20.883 -8.771 1.00 24.30 H new ATOM 0 HZ1 LYS A 84 7.847 -21.381 -11.007 1.00 51.04 H new ATOM 0 HZ2 LYS A 84 6.731 -22.554 -10.492 1.00 51.04 H new ATOM 0 HZ3 LYS A 84 6.251 -21.348 -11.586 1.00 51.04 H new