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 180:sc= 0 USER MOD Set 1.2: A 84 LYS NZ :NH3+ -168:sc= 0 (180deg=-0.15) USER MOD Set 2.1: A 32 SER OG : rot 180:sc= 0.612 USER MOD Set 2.2: A 34 THR OG1 : rot 180:sc= 0 USER MOD Set 2.3: A 35 THR OG1 : rot -160:sc= -0.632 USER MOD Set 3.1: A 16 SER OG : rot 180:sc= 0.0189 USER MOD Set 3.2: A 20 CYS SG : rot 85:sc= -0.36 USER MOD Set 3.3: A 54 SER OG : rot 180:sc= 0.0199 USER MOD Single : A 6 SER OG : rot 180:sc= -0.203 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 GLN : amide:sc= 0 X(o=0,f=-0.42) USER MOD Single : A 14 MET CE :methyl 154:sc= -1.66! (180deg=-1.79) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 ASN : amide:sc= -0.563 X(o=-0.56,f=-0.26) USER MOD Single : A 27 GLN : amide:sc= -0.0673 X(o=-0.067,f=-0.51) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 36 ASN : amide:sc= -0.946 K(o=-0.95,f=-7.7!) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 ASN : amide:sc= -0.0527 X(o=-0.053,f=0) USER MOD Single : A 45 SER OG : rot 180:sc= 0.012 USER MOD Single : A 53 MET CE :methyl 153:sc= -0.149 (180deg=-0.758) USER MOD Single : A 60 SER OG : rot -55:sc= 0.00292 USER MOD Single : A 64 SER OG : rot 76:sc= 1.27 USER MOD Single : A 69 GLN : amide:sc= -0.334 X(o=-0.33,f=-0.31) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 THR OG1 : rot 180:sc= -0.971 USER MOD Single : A 78 CYS SG : rot -28:sc= -0.338 USER MOD Single : A 83 SER OG : rot -81:sc= 1.03 USER MOD ----------------------------------------------------------------- ATOM 66 N SER A 6 -0.299 -11.643 -2.600 1.00 10.42 N ATOM 67 CA SER A 6 -1.009 -12.534 -1.690 1.00 13.32 C ATOM 68 C SER A 6 -0.732 -12.160 -0.237 1.00 1.55 C ATOM 69 O SER A 6 0.341 -12.442 0.294 1.00 70.20 O ATOM 70 CB SER A 6 -0.599 -13.987 -1.941 1.00 31.11 C ATOM 71 OG SER A 6 -1.278 -14.522 -3.063 1.00 12.30 O ATOM 0 HA SER A 6 -2.077 -12.428 -1.877 1.00 13.32 H new ATOM 0 HB2 SER A 6 0.477 -14.041 -2.104 1.00 31.11 H new ATOM 0 HB3 SER A 6 -0.819 -14.588 -1.059 1.00 31.11 H new ATOM 0 HG SER A 6 -0.997 -15.450 -3.203 1.00 12.30 H new ATOM 77 N GLU A 7 -1.709 -11.522 0.399 1.00 25.12 N ATOM 78 CA GLU A 7 -1.571 -11.106 1.790 1.00 23.40 C ATOM 79 C GLU A 7 -1.390 -12.316 2.702 1.00 11.43 C ATOM 80 O GLU A 7 -0.686 -12.246 3.709 1.00 4.20 O ATOM 81 CB GLU A 7 -2.796 -10.302 2.229 1.00 61.41 C ATOM 82 CG GLU A 7 -2.599 -9.562 3.542 1.00 52.15 C ATOM 83 CD GLU A 7 -2.734 -10.471 4.749 1.00 32.24 C ATOM 84 OE1 GLU A 7 -3.797 -11.110 4.896 1.00 63.30 O ATOM 85 OE2 GLU A 7 -1.775 -10.544 5.546 1.00 13.40 O ATOM 0 H GLU A 7 -2.604 -11.282 -0.026 1.00 25.12 H new ATOM 0 HA GLU A 7 -0.685 -10.476 1.869 1.00 23.40 H new ATOM 0 HB2 GLU A 7 -3.046 -9.582 1.450 1.00 61.41 H new ATOM 0 HB3 GLU A 7 -3.647 -10.976 2.325 1.00 61.41 H new ATOM 0 HG2 GLU A 7 -1.613 -9.098 3.549 1.00 52.15 H new ATOM 0 HG3 GLU A 7 -3.330 -8.757 3.614 1.00 52.15 H new ATOM 92 N GLU A 8 -2.032 -13.423 2.343 1.00 62.33 N ATOM 93 CA GLU A 8 -1.943 -14.648 3.131 1.00 22.01 C ATOM 94 C GLU A 8 -0.502 -15.143 3.204 1.00 45.53 C ATOM 95 O GLU A 8 0.020 -15.411 4.288 1.00 0.33 O ATOM 96 CB GLU A 8 -2.837 -15.733 2.529 1.00 5.22 C ATOM 97 CG GLU A 8 -3.191 -16.840 3.508 1.00 4.01 C ATOM 98 CD GLU A 8 -4.386 -16.493 4.374 1.00 65.32 C ATOM 99 OE1 GLU A 8 -5.282 -15.772 3.888 1.00 20.33 O ATOM 100 OE2 GLU A 8 -4.425 -16.944 5.538 1.00 10.50 O ATOM 0 H GLU A 8 -2.619 -13.497 1.512 1.00 62.33 H new ATOM 0 HA GLU A 8 -2.284 -14.426 4.142 1.00 22.01 H new ATOM 0 HB2 GLU A 8 -3.756 -15.274 2.164 1.00 5.22 H new ATOM 0 HB3 GLU A 8 -2.334 -16.169 1.666 1.00 5.22 H new ATOM 0 HG2 GLU A 8 -3.401 -17.755 2.955 1.00 4.01 H new ATOM 0 HG3 GLU A 8 -2.331 -17.044 4.146 1.00 4.01 H new ATOM 107 N ILE A 9 0.136 -15.263 2.045 1.00 60.43 N ATOM 108 CA ILE A 9 1.517 -15.727 1.977 1.00 52.14 C ATOM 109 C ILE A 9 2.481 -14.657 2.479 1.00 13.42 C ATOM 110 O ILE A 9 3.525 -14.966 3.053 1.00 51.22 O ATOM 111 CB ILE A 9 1.909 -16.121 0.541 1.00 32.12 C ATOM 112 CG1 ILE A 9 0.806 -16.967 -0.098 1.00 51.12 C ATOM 113 CG2 ILE A 9 3.230 -16.874 0.540 1.00 50.42 C ATOM 114 CD1 ILE A 9 1.151 -17.463 -1.485 1.00 72.45 C ATOM 0 H ILE A 9 -0.281 -15.045 1.140 1.00 60.43 H new ATOM 0 HA ILE A 9 1.586 -16.606 2.618 1.00 52.14 H new ATOM 0 HB ILE A 9 2.031 -15.212 -0.049 1.00 32.12 H new ATOM 0 HG12 ILE A 9 0.598 -17.823 0.544 1.00 51.12 H new ATOM 0 HG13 ILE A 9 -0.109 -16.377 -0.149 1.00 51.12 H new ATOM 0 HG21 ILE A 9 3.493 -17.146 -0.482 1.00 50.42 H new ATOM 0 HG22 ILE A 9 4.011 -16.240 0.959 1.00 50.42 H new ATOM 0 HG23 ILE A 9 3.134 -17.778 1.142 1.00 50.42 H new ATOM 0 HD11 ILE A 9 0.324 -18.055 -1.876 1.00 72.45 H new ATOM 0 HD12 ILE A 9 1.330 -16.612 -2.142 1.00 72.45 H new ATOM 0 HD13 ILE A 9 2.048 -18.080 -1.438 1.00 72.45 H new ATOM 126 N LYS A 10 2.122 -13.396 2.261 1.00 24.45 N ATOM 127 CA LYS A 10 2.953 -12.278 2.694 1.00 53.51 C ATOM 128 C LYS A 10 3.316 -12.411 4.169 1.00 24.33 C ATOM 129 O LYS A 10 4.446 -12.127 4.567 1.00 33.51 O ATOM 130 CB LYS A 10 2.226 -10.954 2.453 1.00 74.03 C ATOM 131 CG LYS A 10 3.158 -9.758 2.346 1.00 54.41 C ATOM 132 CD LYS A 10 3.562 -9.243 3.717 1.00 65.13 C ATOM 133 CE LYS A 10 4.080 -7.814 3.644 1.00 45.24 C ATOM 134 NZ LYS A 10 5.518 -7.765 3.261 1.00 3.11 N ATOM 0 H LYS A 10 1.261 -13.123 1.787 1.00 24.45 H new ATOM 0 HA LYS A 10 3.873 -12.292 2.109 1.00 53.51 H new ATOM 0 HB2 LYS A 10 1.642 -11.032 1.536 1.00 74.03 H new ATOM 0 HB3 LYS A 10 1.521 -10.783 3.267 1.00 74.03 H new ATOM 0 HG2 LYS A 10 4.049 -10.039 1.785 1.00 54.41 H new ATOM 0 HG3 LYS A 10 2.667 -8.961 1.787 1.00 54.41 H new ATOM 0 HD2 LYS A 10 2.706 -9.287 4.390 1.00 65.13 H new ATOM 0 HD3 LYS A 10 4.332 -9.890 4.138 1.00 65.13 H new ATOM 0 HE2 LYS A 10 3.492 -7.251 2.919 1.00 45.24 H new ATOM 0 HE3 LYS A 10 3.945 -7.329 4.611 1.00 45.24 H new ATOM 0 HZ1 LYS A 10 5.833 -6.775 3.222 1.00 3.11 H new ATOM 0 HZ2 LYS A 10 6.083 -8.281 3.966 1.00 3.11 H new ATOM 0 HZ3 LYS A 10 5.644 -8.205 2.327 1.00 3.11 H new ATOM 148 N ALA A 11 2.353 -12.844 4.975 1.00 50.21 N ATOM 149 CA ALA A 11 2.574 -13.016 6.406 1.00 34.33 C ATOM 150 C ALA A 11 3.505 -14.192 6.679 1.00 4.45 C ATOM 151 O ALA A 11 4.261 -14.184 7.649 1.00 53.20 O ATOM 152 CB ALA A 11 1.247 -13.213 7.125 1.00 43.42 C ATOM 0 H ALA A 11 1.412 -13.082 4.662 1.00 50.21 H new ATOM 0 HA ALA A 11 3.050 -12.113 6.787 1.00 34.33 H new ATOM 0 HB1 ALA A 11 1.427 -13.340 8.192 1.00 43.42 H new ATOM 0 HB2 ALA A 11 0.614 -12.340 6.965 1.00 43.42 H new ATOM 0 HB3 ALA A 11 0.749 -14.100 6.733 1.00 43.42 H new ATOM 158 N GLN A 12 3.444 -15.202 5.818 1.00 24.33 N ATOM 159 CA GLN A 12 4.281 -16.387 5.969 1.00 2.14 C ATOM 160 C GLN A 12 5.719 -16.093 5.554 1.00 42.14 C ATOM 161 O GLN A 12 6.665 -16.472 6.245 1.00 75.20 O ATOM 162 CB GLN A 12 3.723 -17.542 5.135 1.00 54.01 C ATOM 163 CG GLN A 12 2.557 -18.260 5.795 1.00 32.44 C ATOM 164 CD GLN A 12 2.985 -19.514 6.531 1.00 15.14 C ATOM 165 OE1 GLN A 12 2.869 -20.624 6.010 1.00 41.43 O ATOM 166 NE2 GLN A 12 3.484 -19.344 7.750 1.00 62.23 N ATOM 0 H GLN A 12 2.824 -15.224 5.008 1.00 24.33 H new ATOM 0 HA GLN A 12 4.276 -16.673 7.021 1.00 2.14 H new ATOM 0 HB2 GLN A 12 3.402 -17.158 4.167 1.00 54.01 H new ATOM 0 HB3 GLN A 12 4.520 -18.260 4.944 1.00 54.01 H new ATOM 0 HG2 GLN A 12 2.067 -17.582 6.494 1.00 32.44 H new ATOM 0 HG3 GLN A 12 1.820 -18.522 5.036 1.00 32.44 H new ATOM 0 HE21 GLN A 12 3.562 -18.406 8.143 1.00 62.23 H new ATOM 0 HE22 GLN A 12 3.789 -20.151 8.293 1.00 62.23 H new ATOM 175 N VAL A 13 5.876 -15.415 4.422 1.00 55.30 N ATOM 176 CA VAL A 13 7.198 -15.069 3.915 1.00 61.15 C ATOM 177 C VAL A 13 7.901 -14.081 4.840 1.00 35.34 C ATOM 178 O VAL A 13 9.094 -14.208 5.109 1.00 43.12 O ATOM 179 CB VAL A 13 7.117 -14.463 2.501 1.00 14.51 C ATOM 180 CG1 VAL A 13 6.630 -15.501 1.503 1.00 15.43 C ATOM 181 CG2 VAL A 13 6.212 -13.240 2.497 1.00 71.30 C ATOM 0 H VAL A 13 5.103 -15.094 3.838 1.00 55.30 H new ATOM 0 HA VAL A 13 7.772 -15.995 3.873 1.00 61.15 H new ATOM 0 HB VAL A 13 8.116 -14.147 2.201 1.00 14.51 H new ATOM 0 HG11 VAL A 13 6.579 -15.055 0.510 1.00 15.43 H new ATOM 0 HG12 VAL A 13 7.322 -16.343 1.487 1.00 15.43 H new ATOM 0 HG13 VAL A 13 5.640 -15.850 1.795 1.00 15.43 H new ATOM 0 HG21 VAL A 13 6.166 -12.825 1.490 1.00 71.30 H new ATOM 0 HG22 VAL A 13 5.210 -13.527 2.817 1.00 71.30 H new ATOM 0 HG23 VAL A 13 6.610 -12.491 3.181 1.00 71.30 H new ATOM 191 N MET A 14 7.150 -13.096 5.323 1.00 13.51 N ATOM 192 CA MET A 14 7.701 -12.087 6.220 1.00 42.15 C ATOM 193 C MET A 14 7.998 -12.683 7.592 1.00 13.12 C ATOM 194 O MET A 14 8.991 -12.331 8.229 1.00 73.12 O ATOM 195 CB MET A 14 6.729 -10.914 6.360 1.00 42.43 C ATOM 196 CG MET A 14 5.459 -11.264 7.119 1.00 3.14 C ATOM 197 SD MET A 14 5.570 -10.874 8.876 1.00 42.00 S ATOM 198 CE MET A 14 4.052 -11.607 9.482 1.00 52.44 C ATOM 0 H MET A 14 6.160 -12.975 5.109 1.00 13.51 H new ATOM 0 HA MET A 14 8.636 -11.726 5.791 1.00 42.15 H new ATOM 0 HB2 MET A 14 7.233 -10.094 6.871 1.00 42.43 H new ATOM 0 HB3 MET A 14 6.461 -10.554 5.367 1.00 42.43 H new ATOM 0 HG2 MET A 14 4.619 -10.723 6.683 1.00 3.14 H new ATOM 0 HG3 MET A 14 5.250 -12.327 6.999 1.00 3.14 H new ATOM 0 HE1 MET A 14 4.169 -11.868 10.534 1.00 52.44 H new ATOM 0 HE2 MET A 14 3.235 -10.894 9.374 1.00 52.44 H new ATOM 0 HE3 MET A 14 3.827 -12.506 8.908 1.00 52.44 H new ATOM 208 N GLU A 15 7.131 -13.585 8.041 1.00 31.13 N ATOM 209 CA GLU A 15 7.302 -14.227 9.339 1.00 3.51 C ATOM 210 C GLU A 15 8.501 -15.171 9.325 1.00 40.41 C ATOM 211 O GLU A 15 9.210 -15.306 10.322 1.00 50.11 O ATOM 212 CB GLU A 15 6.037 -14.998 9.722 1.00 51.42 C ATOM 213 CG GLU A 15 6.125 -15.678 11.079 1.00 64.33 C ATOM 214 CD GLU A 15 5.723 -14.760 12.217 1.00 14.11 C ATOM 215 OE1 GLU A 15 6.522 -13.868 12.570 1.00 72.54 O ATOM 216 OE2 GLU A 15 4.611 -14.936 12.755 1.00 12.44 O ATOM 0 H GLU A 15 6.304 -13.887 7.526 1.00 31.13 H new ATOM 0 HA GLU A 15 7.483 -13.448 10.080 1.00 3.51 H new ATOM 0 HB2 GLU A 15 5.190 -14.312 9.723 1.00 51.42 H new ATOM 0 HB3 GLU A 15 5.836 -15.751 8.960 1.00 51.42 H new ATOM 0 HG2 GLU A 15 5.482 -16.558 11.083 1.00 64.33 H new ATOM 0 HG3 GLU A 15 7.145 -16.027 11.241 1.00 64.33 H new ATOM 223 N SER A 16 8.720 -15.823 8.188 1.00 34.34 N ATOM 224 CA SER A 16 9.830 -16.757 8.044 1.00 4.21 C ATOM 225 C SER A 16 11.155 -16.013 7.907 1.00 25.30 C ATOM 226 O SER A 16 12.163 -16.401 8.496 1.00 71.45 O ATOM 227 CB SER A 16 9.611 -17.659 6.827 1.00 21.44 C ATOM 228 OG SER A 16 10.772 -18.421 6.541 1.00 73.30 O ATOM 0 H SER A 16 8.143 -15.722 7.353 1.00 34.34 H new ATOM 0 HA SER A 16 9.871 -17.373 8.942 1.00 4.21 H new ATOM 0 HB2 SER A 16 8.770 -18.327 7.012 1.00 21.44 H new ATOM 0 HB3 SER A 16 9.349 -17.050 5.962 1.00 21.44 H new ATOM 0 HG SER A 16 10.606 -18.990 5.760 1.00 73.30 H new ATOM 234 N VAL A 17 11.143 -14.938 7.125 1.00 40.23 N ATOM 235 CA VAL A 17 12.342 -14.136 6.911 1.00 71.33 C ATOM 236 C VAL A 17 12.810 -13.490 8.209 1.00 73.43 C ATOM 237 O VAL A 17 13.971 -13.623 8.597 1.00 75.50 O ATOM 238 CB VAL A 17 12.100 -13.035 5.860 1.00 54.13 C ATOM 239 CG1 VAL A 17 13.283 -12.081 5.805 1.00 61.33 C ATOM 240 CG2 VAL A 17 11.837 -13.651 4.495 1.00 64.43 C ATOM 0 H VAL A 17 10.317 -14.603 6.630 1.00 40.23 H new ATOM 0 HA VAL A 17 13.115 -14.813 6.547 1.00 71.33 H new ATOM 0 HB VAL A 17 11.218 -12.465 6.152 1.00 54.13 H new ATOM 0 HG11 VAL A 17 13.094 -11.310 5.058 1.00 61.33 H new ATOM 0 HG12 VAL A 17 13.420 -11.615 6.781 1.00 61.33 H new ATOM 0 HG13 VAL A 17 14.184 -12.633 5.537 1.00 61.33 H new ATOM 0 HG21 VAL A 17 11.668 -12.859 3.765 1.00 64.43 H new ATOM 0 HG22 VAL A 17 12.699 -14.246 4.192 1.00 64.43 H new ATOM 0 HG23 VAL A 17 10.955 -14.290 4.548 1.00 64.43 H new ATOM 250 N ILE A 18 11.900 -12.790 8.877 1.00 20.20 N ATOM 251 CA ILE A 18 12.221 -12.124 10.134 1.00 4.21 C ATOM 252 C ILE A 18 12.939 -13.070 11.090 1.00 21.34 C ATOM 253 O ILE A 18 14.003 -12.747 11.615 1.00 62.42 O ATOM 254 CB ILE A 18 10.954 -11.582 10.823 1.00 54.43 C ATOM 255 CG1 ILE A 18 10.327 -10.468 9.981 1.00 21.40 C ATOM 256 CG2 ILE A 18 11.285 -11.076 12.219 1.00 35.43 C ATOM 257 CD1 ILE A 18 8.852 -10.265 10.250 1.00 14.31 C ATOM 0 H ILE A 18 10.935 -12.669 8.570 1.00 20.20 H new ATOM 0 HA ILE A 18 12.878 -11.290 9.890 1.00 4.21 H new ATOM 0 HB ILE A 18 10.232 -12.394 10.914 1.00 54.43 H new ATOM 0 HG12 ILE A 18 10.855 -9.535 10.176 1.00 21.40 H new ATOM 0 HG13 ILE A 18 10.467 -10.699 8.925 1.00 21.40 H new ATOM 0 HG21 ILE A 18 10.380 -10.696 12.693 1.00 35.43 H new ATOM 0 HG22 ILE A 18 11.691 -11.893 12.815 1.00 35.43 H new ATOM 0 HG23 ILE A 18 12.022 -10.276 12.151 1.00 35.43 H new ATOM 0 HD11 ILE A 18 8.474 -9.461 9.619 1.00 14.31 H new ATOM 0 HD12 ILE A 18 8.312 -11.185 10.027 1.00 14.31 H new ATOM 0 HD13 ILE A 18 8.706 -10.003 11.298 1.00 14.31 H new ATOM 269 N GLY A 19 12.350 -14.241 11.309 1.00 20.44 N ATOM 270 CA GLY A 19 12.950 -15.218 12.199 1.00 33.42 C ATOM 271 C GLY A 19 14.147 -15.910 11.580 1.00 43.03 C ATOM 272 O GLY A 19 15.009 -16.428 12.291 1.00 24.14 O ATOM 0 H GLY A 19 11.468 -14.531 10.886 1.00 20.44 H new ATOM 0 HA2 GLY A 19 13.257 -14.724 13.121 1.00 33.42 H new ATOM 0 HA3 GLY A 19 12.203 -15.964 12.470 1.00 33.42 H new ATOM 276 N CYS A 20 14.200 -15.921 10.253 1.00 11.52 N ATOM 277 CA CYS A 20 15.301 -16.558 9.537 1.00 1.22 C ATOM 278 C CYS A 20 16.620 -15.850 9.829 1.00 65.11 C ATOM 279 O CYS A 20 17.613 -16.487 10.183 1.00 25.20 O ATOM 280 CB CYS A 20 15.028 -16.553 8.033 1.00 12.21 C ATOM 281 SG CYS A 20 14.463 -18.142 7.381 1.00 23.42 S ATOM 0 H CYS A 20 13.494 -15.497 9.651 1.00 11.52 H new ATOM 0 HA CYS A 20 15.379 -17.589 9.881 1.00 1.22 H new ATOM 0 HB2 CYS A 20 14.277 -15.794 7.813 1.00 12.21 H new ATOM 0 HB3 CYS A 20 15.939 -16.261 7.510 1.00 12.21 H new ATOM 0 HG CYS A 20 13.176 -18.243 7.538 1.00 23.42 H new ATOM 287 N LEU A 21 16.624 -14.530 9.676 1.00 53.41 N ATOM 288 CA LEU A 21 17.823 -13.736 9.922 1.00 51.22 C ATOM 289 C LEU A 21 17.709 -12.971 11.236 1.00 15.30 C ATOM 290 O LEU A 21 18.573 -12.161 11.573 1.00 53.22 O ATOM 291 CB LEU A 21 18.055 -12.758 8.768 1.00 25.12 C ATOM 292 CG LEU A 21 16.821 -12.385 7.945 1.00 53.32 C ATOM 293 CD1 LEU A 21 16.996 -11.011 7.316 1.00 4.41 C ATOM 294 CD2 LEU A 21 16.555 -13.435 6.876 1.00 52.43 C ATOM 0 H LEU A 21 15.811 -13.988 9.383 1.00 53.41 H new ATOM 0 HA LEU A 21 18.672 -14.416 9.991 1.00 51.22 H new ATOM 0 HB2 LEU A 21 18.486 -11.843 9.175 1.00 25.12 H new ATOM 0 HB3 LEU A 21 18.798 -13.189 8.097 1.00 25.12 H new ATOM 0 HG LEU A 21 15.959 -12.350 8.612 1.00 53.32 H new ATOM 0 HD11 LEU A 21 16.109 -10.762 6.734 1.00 4.41 H new ATOM 0 HD12 LEU A 21 17.137 -10.267 8.100 1.00 4.41 H new ATOM 0 HD13 LEU A 21 17.868 -11.018 6.662 1.00 4.41 H new ATOM 0 HD21 LEU A 21 15.673 -13.153 6.300 1.00 52.43 H new ATOM 0 HD22 LEU A 21 17.416 -13.503 6.211 1.00 52.43 H new ATOM 0 HD23 LEU A 21 16.385 -14.402 7.350 1.00 52.43 H new ATOM 306 N LYS A 22 16.638 -13.233 11.977 1.00 1.40 N ATOM 307 CA LYS A 22 16.412 -12.573 13.257 1.00 75.54 C ATOM 308 C LYS A 22 16.494 -11.057 13.109 1.00 52.33 C ATOM 309 O LYS A 22 17.573 -10.471 13.212 1.00 32.45 O ATOM 310 CB LYS A 22 17.434 -13.052 14.290 1.00 53.14 C ATOM 311 CG LYS A 22 17.593 -14.562 14.334 1.00 11.31 C ATOM 312 CD LYS A 22 16.316 -15.244 14.797 1.00 24.50 C ATOM 313 CE LYS A 22 16.493 -16.752 14.893 1.00 14.00 C ATOM 314 NZ LYS A 22 15.296 -17.413 15.484 1.00 54.14 N ATOM 0 H LYS A 22 15.912 -13.899 11.713 1.00 1.40 H new ATOM 0 HA LYS A 22 15.411 -12.833 13.600 1.00 75.54 H new ATOM 0 HB2 LYS A 22 18.401 -12.600 14.069 1.00 53.14 H new ATOM 0 HB3 LYS A 22 17.134 -12.698 15.276 1.00 53.14 H new ATOM 0 HG2 LYS A 22 17.864 -14.929 13.344 1.00 11.31 H new ATOM 0 HG3 LYS A 22 18.410 -14.823 15.006 1.00 11.31 H new ATOM 0 HD2 LYS A 22 16.023 -14.848 15.769 1.00 24.50 H new ATOM 0 HD3 LYS A 22 15.508 -15.015 14.103 1.00 24.50 H new ATOM 0 HE2 LYS A 22 16.680 -17.160 13.900 1.00 14.00 H new ATOM 0 HE3 LYS A 22 17.370 -16.977 15.500 1.00 14.00 H new ATOM 0 HZ1 LYS A 22 15.455 -18.440 15.533 1.00 54.14 H new ATOM 0 HZ2 LYS A 22 15.132 -17.042 16.442 1.00 54.14 H new ATOM 0 HZ3 LYS A 22 14.464 -17.219 14.891 1.00 54.14 H new ATOM 328 N LEU A 23 15.350 -10.427 12.870 1.00 63.12 N ATOM 329 CA LEU A 23 15.293 -8.978 12.710 1.00 10.22 C ATOM 330 C LEU A 23 14.831 -8.306 13.999 1.00 71.20 C ATOM 331 O LEU A 23 14.473 -8.976 14.966 1.00 42.11 O ATOM 332 CB LEU A 23 14.352 -8.609 11.562 1.00 24.31 C ATOM 333 CG LEU A 23 14.927 -8.744 10.152 1.00 34.40 C ATOM 334 CD1 LEU A 23 16.180 -7.897 10.003 1.00 62.24 C ATOM 335 CD2 LEU A 23 15.226 -10.202 9.836 1.00 71.34 C ATOM 0 H LEU A 23 14.449 -10.896 12.783 1.00 63.12 H new ATOM 0 HA LEU A 23 16.297 -8.622 12.477 1.00 10.22 H new ATOM 0 HB2 LEU A 23 13.463 -9.236 11.632 1.00 24.31 H new ATOM 0 HB3 LEU A 23 14.027 -7.578 11.703 1.00 24.31 H new ATOM 0 HG LEU A 23 14.184 -8.384 9.441 1.00 34.40 H new ATOM 0 HD11 LEU A 23 16.575 -8.006 8.993 1.00 62.24 H new ATOM 0 HD12 LEU A 23 15.936 -6.851 10.186 1.00 62.24 H new ATOM 0 HD13 LEU A 23 16.929 -8.226 10.723 1.00 62.24 H new ATOM 0 HD21 LEU A 23 15.635 -10.280 8.828 1.00 71.34 H new ATOM 0 HD22 LEU A 23 15.951 -10.588 10.552 1.00 71.34 H new ATOM 0 HD23 LEU A 23 14.307 -10.784 9.901 1.00 71.34 H new ATOM 347 N ASN A 24 14.840 -6.977 14.003 1.00 45.20 N ATOM 348 CA ASN A 24 14.420 -6.213 15.172 1.00 65.04 C ATOM 349 C ASN A 24 13.212 -5.340 14.846 1.00 22.23 C ATOM 350 O ASN A 24 12.677 -5.390 13.739 1.00 61.52 O ATOM 351 CB ASN A 24 15.572 -5.341 15.678 1.00 25.14 C ATOM 352 CG ASN A 24 15.588 -5.227 17.190 1.00 24.34 C ATOM 353 OD1 ASN A 24 15.860 -6.199 17.895 1.00 75.32 O ATOM 354 ND2 ASN A 24 15.296 -4.034 17.696 1.00 12.31 N ATOM 0 H ASN A 24 15.134 -6.407 13.210 1.00 45.20 H new ATOM 0 HA ASN A 24 14.136 -6.918 15.953 1.00 65.04 H new ATOM 0 HB2 ASN A 24 16.519 -5.761 15.338 1.00 25.14 H new ATOM 0 HB3 ASN A 24 15.490 -4.345 15.242 1.00 25.14 H new ATOM 0 HD21 ASN A 24 15.291 -3.896 18.707 1.00 12.31 H new ATOM 0 HD22 ASN A 24 15.077 -3.256 17.074 1.00 12.31 H new ATOM 361 N ASP A 25 12.788 -4.541 15.819 1.00 44.23 N ATOM 362 CA ASP A 25 11.643 -3.655 15.636 1.00 34.40 C ATOM 363 C ASP A 25 11.930 -2.613 14.561 1.00 23.34 C ATOM 364 O ASP A 25 11.031 -2.196 13.832 1.00 45.40 O ATOM 365 CB ASP A 25 11.292 -2.963 16.954 1.00 1.51 C ATOM 366 CG ASP A 25 11.258 -3.927 18.123 1.00 64.32 C ATOM 367 OD1 ASP A 25 10.214 -4.586 18.320 1.00 24.33 O ATOM 368 OD2 ASP A 25 12.274 -4.024 18.842 1.00 20.14 O ATOM 0 H ASP A 25 13.219 -4.488 16.742 1.00 44.23 H new ATOM 0 HA ASP A 25 10.794 -4.259 15.314 1.00 34.40 H new ATOM 0 HB2 ASP A 25 12.022 -2.179 17.155 1.00 1.51 H new ATOM 0 HB3 ASP A 25 10.321 -2.478 16.859 1.00 1.51 H new ATOM 373 N GLU A 26 13.189 -2.194 14.469 1.00 23.44 N ATOM 374 CA GLU A 26 13.592 -1.198 13.483 1.00 51.55 C ATOM 375 C GLU A 26 13.694 -1.819 12.092 1.00 41.22 C ATOM 376 O GLU A 26 13.145 -1.292 11.125 1.00 64.53 O ATOM 377 CB GLU A 26 14.935 -0.576 13.874 1.00 23.33 C ATOM 378 CG GLU A 26 15.008 -0.153 15.332 1.00 11.13 C ATOM 379 CD GLU A 26 16.233 0.687 15.635 1.00 33.12 C ATOM 380 OE1 GLU A 26 16.915 1.107 14.676 1.00 10.11 O ATOM 381 OE2 GLU A 26 16.511 0.924 16.829 1.00 53.41 O ATOM 0 H GLU A 26 13.946 -2.529 15.065 1.00 23.44 H new ATOM 0 HA GLU A 26 12.830 -0.419 13.460 1.00 51.55 H new ATOM 0 HB2 GLU A 26 15.731 -1.293 13.672 1.00 23.33 H new ATOM 0 HB3 GLU A 26 15.121 0.293 13.243 1.00 23.33 H new ATOM 0 HG2 GLU A 26 14.112 0.413 15.588 1.00 11.13 H new ATOM 0 HG3 GLU A 26 15.016 -1.041 15.964 1.00 11.13 H new ATOM 388 N GLN A 27 14.399 -2.942 12.002 1.00 43.14 N ATOM 389 CA GLN A 27 14.572 -3.634 10.730 1.00 70.43 C ATOM 390 C GLN A 27 13.224 -3.923 10.080 1.00 74.33 C ATOM 391 O GLN A 27 13.120 -4.019 8.857 1.00 70.11 O ATOM 392 CB GLN A 27 15.344 -4.938 10.936 1.00 60.33 C ATOM 393 CG GLN A 27 16.671 -4.754 11.656 1.00 35.01 C ATOM 394 CD GLN A 27 17.437 -3.541 11.164 1.00 64.11 C ATOM 395 OE1 GLN A 27 17.460 -2.500 11.822 1.00 33.13 O ATOM 396 NE2 GLN A 27 18.068 -3.670 10.004 1.00 31.11 N ATOM 0 H GLN A 27 14.859 -3.392 12.793 1.00 43.14 H new ATOM 0 HA GLN A 27 15.142 -2.984 10.066 1.00 70.43 H new ATOM 0 HB2 GLN A 27 14.725 -5.631 11.505 1.00 60.33 H new ATOM 0 HB3 GLN A 27 15.528 -5.399 9.965 1.00 60.33 H new ATOM 0 HG2 GLN A 27 16.489 -4.655 12.726 1.00 35.01 H new ATOM 0 HG3 GLN A 27 17.282 -5.646 11.518 1.00 35.01 H new ATOM 0 HE21 GLN A 27 18.021 -4.552 9.493 1.00 31.11 H new ATOM 0 HE22 GLN A 27 18.600 -2.888 9.623 1.00 31.11 H new ATOM 405 N LYS A 28 12.192 -4.064 10.904 1.00 33.40 N ATOM 406 CA LYS A 28 10.849 -4.343 10.411 1.00 0.31 C ATOM 407 C LYS A 28 10.227 -3.095 9.793 1.00 73.13 C ATOM 408 O LYS A 28 9.440 -3.184 8.852 1.00 33.23 O ATOM 409 CB LYS A 28 9.963 -4.857 11.547 1.00 10.45 C ATOM 410 CG LYS A 28 10.134 -6.340 11.828 1.00 2.22 C ATOM 411 CD LYS A 28 8.978 -6.891 12.647 1.00 53.25 C ATOM 412 CE LYS A 28 9.109 -6.517 14.116 1.00 14.30 C ATOM 413 NZ LYS A 28 9.946 -7.496 14.864 1.00 1.02 N ATOM 0 H LYS A 28 12.260 -3.989 11.919 1.00 33.40 H new ATOM 0 HA LYS A 28 10.924 -5.111 9.641 1.00 0.31 H new ATOM 0 HB2 LYS A 28 10.187 -4.296 12.454 1.00 10.45 H new ATOM 0 HB3 LYS A 28 8.920 -4.660 11.300 1.00 10.45 H new ATOM 0 HG2 LYS A 28 10.205 -6.884 10.886 1.00 2.22 H new ATOM 0 HG3 LYS A 28 11.070 -6.504 12.362 1.00 2.22 H new ATOM 0 HD2 LYS A 28 8.037 -6.506 12.255 1.00 53.25 H new ATOM 0 HD3 LYS A 28 8.945 -7.976 12.548 1.00 53.25 H new ATOM 0 HE2 LYS A 28 9.549 -5.523 14.200 1.00 14.30 H new ATOM 0 HE3 LYS A 28 8.118 -6.466 14.568 1.00 14.30 H new ATOM 0 HZ1 LYS A 28 10.011 -7.207 15.861 1.00 1.02 H new ATOM 0 HZ2 LYS A 28 9.513 -8.440 14.805 1.00 1.02 H new ATOM 0 HZ3 LYS A 28 10.899 -7.526 14.449 1.00 1.02 H new ATOM 427 N GLN A 29 10.587 -1.933 10.327 1.00 54.00 N ATOM 428 CA GLN A 29 10.064 -0.666 9.826 1.00 31.22 C ATOM 429 C GLN A 29 10.766 -0.261 8.534 1.00 50.15 C ATOM 430 O GLN A 29 10.118 0.054 7.536 1.00 72.44 O ATOM 431 CB GLN A 29 10.232 0.431 10.879 1.00 30.00 C ATOM 432 CG GLN A 29 9.721 0.037 12.255 1.00 61.43 C ATOM 433 CD GLN A 29 8.837 1.100 12.876 1.00 52.42 C ATOM 434 OE1 GLN A 29 7.722 1.346 12.414 1.00 3.31 O ATOM 435 NE2 GLN A 29 9.330 1.739 13.931 1.00 52.22 N ATOM 0 H GLN A 29 11.239 -1.842 11.106 1.00 54.00 H new ATOM 0 HA GLN A 29 9.003 -0.797 9.615 1.00 31.22 H new ATOM 0 HB2 GLN A 29 11.287 0.693 10.954 1.00 30.00 H new ATOM 0 HB3 GLN A 29 9.705 1.325 10.547 1.00 30.00 H new ATOM 0 HG2 GLN A 29 9.162 -0.895 12.177 1.00 61.43 H new ATOM 0 HG3 GLN A 29 10.569 -0.154 12.912 1.00 61.43 H new ATOM 0 HE21 GLN A 29 10.259 1.504 14.282 1.00 52.22 H new ATOM 0 HE22 GLN A 29 8.780 2.465 14.391 1.00 52.22 H new ATOM 444 N ILE A 30 12.095 -0.269 8.562 1.00 2.02 N ATOM 445 CA ILE A 30 12.884 0.098 7.392 1.00 13.22 C ATOM 446 C ILE A 30 12.582 -0.822 6.214 1.00 11.13 C ATOM 447 O ILE A 30 12.720 -0.430 5.055 1.00 22.43 O ATOM 448 CB ILE A 30 14.394 0.048 7.695 1.00 43.52 C ATOM 449 CG1 ILE A 30 14.814 -1.375 8.069 1.00 24.21 C ATOM 450 CG2 ILE A 30 14.743 1.021 8.811 1.00 14.42 C ATOM 451 CD1 ILE A 30 15.404 -2.154 6.914 1.00 63.02 C ATOM 0 H ILE A 30 12.647 -0.525 9.381 1.00 2.02 H new ATOM 0 HA ILE A 30 12.607 1.119 7.131 1.00 13.22 H new ATOM 0 HB ILE A 30 14.940 0.344 6.799 1.00 43.52 H new ATOM 0 HG12 ILE A 30 15.545 -1.329 8.877 1.00 24.21 H new ATOM 0 HG13 ILE A 30 13.947 -1.912 8.454 1.00 24.21 H new ATOM 0 HG21 ILE A 30 15.813 0.974 9.013 1.00 14.42 H new ATOM 0 HG22 ILE A 30 14.475 2.033 8.508 1.00 14.42 H new ATOM 0 HG23 ILE A 30 14.191 0.754 9.712 1.00 14.42 H new ATOM 0 HD11 ILE A 30 15.679 -3.153 7.252 1.00 63.02 H new ATOM 0 HD12 ILE A 30 14.668 -2.231 6.114 1.00 63.02 H new ATOM 0 HD13 ILE A 30 16.291 -1.640 6.543 1.00 63.02 H new ATOM 463 N LEU A 31 12.168 -2.046 6.518 1.00 64.14 N ATOM 464 CA LEU A 31 11.844 -3.024 5.485 1.00 21.12 C ATOM 465 C LEU A 31 10.856 -2.443 4.477 1.00 14.43 C ATOM 466 O LEU A 31 10.148 -1.480 4.772 1.00 1.54 O ATOM 467 CB LEU A 31 11.261 -4.290 6.116 1.00 41.11 C ATOM 468 CG LEU A 31 11.410 -5.575 5.302 1.00 20.21 C ATOM 469 CD1 LEU A 31 12.879 -5.941 5.147 1.00 40.33 C ATOM 470 CD2 LEU A 31 10.641 -6.713 5.957 1.00 12.21 C ATOM 0 H LEU A 31 12.048 -2.386 7.472 1.00 64.14 H new ATOM 0 HA LEU A 31 12.764 -3.279 4.960 1.00 21.12 H new ATOM 0 HB2 LEU A 31 11.736 -4.441 7.085 1.00 41.11 H new ATOM 0 HB3 LEU A 31 10.200 -4.123 6.303 1.00 41.11 H new ATOM 0 HG LEU A 31 10.992 -5.405 4.310 1.00 20.21 H new ATOM 0 HD11 LEU A 31 12.966 -6.858 4.565 1.00 40.33 H new ATOM 0 HD12 LEU A 31 13.403 -5.135 4.634 1.00 40.33 H new ATOM 0 HD13 LEU A 31 13.322 -6.093 6.131 1.00 40.33 H new ATOM 0 HD21 LEU A 31 10.758 -7.620 5.364 1.00 12.21 H new ATOM 0 HD22 LEU A 31 11.029 -6.883 6.961 1.00 12.21 H new ATOM 0 HD23 LEU A 31 9.584 -6.452 6.016 1.00 12.21 H new ATOM 482 N SER A 32 10.813 -3.037 3.290 1.00 11.55 N ATOM 483 CA SER A 32 9.912 -2.578 2.238 1.00 52.24 C ATOM 484 C SER A 32 9.866 -3.578 1.087 1.00 35.45 C ATOM 485 O SER A 32 10.770 -4.397 0.925 1.00 30.51 O ATOM 486 CB SER A 32 10.355 -1.207 1.721 1.00 52.12 C ATOM 487 OG SER A 32 10.133 -1.093 0.326 1.00 54.11 O ATOM 0 H SER A 32 11.391 -3.837 3.032 1.00 11.55 H new ATOM 0 HA SER A 32 8.911 -2.493 2.662 1.00 52.24 H new ATOM 0 HB2 SER A 32 9.808 -0.423 2.245 1.00 52.12 H new ATOM 0 HB3 SER A 32 11.413 -1.057 1.938 1.00 52.12 H new ATOM 0 HG SER A 32 10.422 -0.208 0.020 1.00 54.11 H new ATOM 493 N GLY A 33 8.805 -3.505 0.288 1.00 1.31 N ATOM 494 CA GLY A 33 8.660 -4.408 -0.837 1.00 55.30 C ATOM 495 C GLY A 33 9.721 -4.189 -1.898 1.00 2.44 C ATOM 496 O GLY A 33 9.899 -5.018 -2.791 1.00 22.34 O ATOM 0 H GLY A 33 8.044 -2.836 0.401 1.00 1.31 H new ATOM 0 HA2 GLY A 33 8.713 -5.437 -0.482 1.00 55.30 H new ATOM 0 HA3 GLY A 33 7.674 -4.274 -1.281 1.00 55.30 H new ATOM 500 N THR A 34 10.427 -3.067 -1.803 1.00 51.35 N ATOM 501 CA THR A 34 11.474 -2.738 -2.763 1.00 3.10 C ATOM 502 C THR A 34 12.820 -2.562 -2.070 1.00 64.01 C ATOM 503 O THR A 34 13.604 -1.681 -2.428 1.00 73.14 O ATOM 504 CB THR A 34 11.138 -1.454 -3.542 1.00 42.35 C ATOM 505 OG1 THR A 34 11.185 -0.322 -2.667 1.00 2.24 O ATOM 506 CG2 THR A 34 9.759 -1.551 -4.178 1.00 32.33 C ATOM 0 H THR A 34 10.293 -2.370 -1.070 1.00 51.35 H new ATOM 0 HA THR A 34 11.535 -3.572 -3.462 1.00 3.10 H new ATOM 0 HB THR A 34 11.878 -1.333 -4.333 1.00 42.35 H new ATOM 0 HG1 THR A 34 10.971 0.491 -3.172 1.00 2.24 H new ATOM 0 HG21 THR A 34 9.544 -0.632 -4.723 1.00 32.33 H new ATOM 0 HG22 THR A 34 9.735 -2.395 -4.867 1.00 32.33 H new ATOM 0 HG23 THR A 34 9.009 -1.695 -3.400 1.00 32.33 H new ATOM 514 N THR A 35 13.084 -3.403 -1.076 1.00 44.01 N ATOM 515 CA THR A 35 14.336 -3.339 -0.331 1.00 42.43 C ATOM 516 C THR A 35 15.049 -4.687 -0.339 1.00 0.31 C ATOM 517 O THR A 35 14.608 -5.635 0.308 1.00 42.14 O ATOM 518 CB THR A 35 14.101 -2.903 1.127 1.00 23.32 C ATOM 519 OG1 THR A 35 13.513 -1.598 1.160 1.00 14.23 O ATOM 520 CG2 THR A 35 15.407 -2.896 1.907 1.00 52.31 C ATOM 0 H THR A 35 12.447 -4.138 -0.767 1.00 44.01 H new ATOM 0 HA THR A 35 14.962 -2.597 -0.827 1.00 42.43 H new ATOM 0 HB THR A 35 13.422 -3.618 1.592 1.00 23.32 H new ATOM 0 HG1 THR A 35 13.654 -1.198 2.043 1.00 14.23 H new ATOM 0 HG21 THR A 35 15.216 -2.585 2.934 1.00 52.31 H new ATOM 0 HG22 THR A 35 15.837 -3.898 1.905 1.00 52.31 H new ATOM 0 HG23 THR A 35 16.105 -2.201 1.441 1.00 52.31 H new ATOM 528 N ASN A 36 16.154 -4.762 -1.074 1.00 22.34 N ATOM 529 CA ASN A 36 16.929 -5.994 -1.165 1.00 3.42 C ATOM 530 C ASN A 36 17.333 -6.486 0.222 1.00 24.22 C ATOM 531 O ASN A 36 18.230 -5.926 0.854 1.00 54.35 O ATOM 532 CB ASN A 36 18.175 -5.775 -2.024 1.00 23.01 C ATOM 533 CG ASN A 36 18.712 -7.069 -2.604 1.00 71.14 C ATOM 534 OD1 ASN A 36 18.500 -8.147 -2.048 1.00 42.21 O ATOM 535 ND2 ASN A 36 19.412 -6.968 -3.728 1.00 21.54 N ATOM 0 H ASN A 36 16.533 -3.985 -1.615 1.00 22.34 H new ATOM 0 HA ASN A 36 16.303 -6.754 -1.633 1.00 3.42 H new ATOM 0 HB2 ASN A 36 17.937 -5.087 -2.836 1.00 23.01 H new ATOM 0 HB3 ASN A 36 18.950 -5.301 -1.421 1.00 23.01 H new ATOM 0 HD21 ASN A 36 19.799 -7.805 -4.165 1.00 21.54 H new ATOM 0 HD22 ASN A 36 19.563 -6.054 -4.154 1.00 21.54 H new ATOM 542 N LEU A 37 16.666 -7.535 0.689 1.00 42.04 N ATOM 543 CA LEU A 37 16.956 -8.105 2.001 1.00 41.12 C ATOM 544 C LEU A 37 18.332 -8.762 2.017 1.00 34.43 C ATOM 545 O LEU A 37 18.879 -9.053 3.080 1.00 41.43 O ATOM 546 CB LEU A 37 15.886 -9.128 2.383 1.00 32.32 C ATOM 547 CG LEU A 37 14.445 -8.612 2.413 1.00 23.33 C ATOM 548 CD1 LEU A 37 13.728 -8.958 1.118 1.00 44.55 C ATOM 549 CD2 LEU A 37 13.699 -9.187 3.609 1.00 73.30 C ATOM 0 H LEU A 37 15.920 -8.009 0.179 1.00 42.04 H new ATOM 0 HA LEU A 37 16.952 -7.295 2.730 1.00 41.12 H new ATOM 0 HB2 LEU A 37 15.939 -9.959 1.680 1.00 32.32 H new ATOM 0 HB3 LEU A 37 16.129 -9.528 3.368 1.00 32.32 H new ATOM 0 HG LEU A 37 14.469 -7.527 2.512 1.00 23.33 H new ATOM 0 HD11 LEU A 37 12.705 -8.584 1.157 1.00 44.55 H new ATOM 0 HD12 LEU A 37 14.251 -8.499 0.279 1.00 44.55 H new ATOM 0 HD13 LEU A 37 13.713 -10.040 0.988 1.00 44.55 H new ATOM 0 HD21 LEU A 37 12.676 -8.810 3.615 1.00 73.30 H new ATOM 0 HD22 LEU A 37 13.684 -10.275 3.540 1.00 73.30 H new ATOM 0 HD23 LEU A 37 14.201 -8.888 4.529 1.00 73.30 H new ATOM 561 N ALA A 38 18.889 -8.989 0.832 1.00 11.43 N ATOM 562 CA ALA A 38 20.203 -9.608 0.710 1.00 64.01 C ATOM 563 C ALA A 38 21.313 -8.574 0.867 1.00 74.52 C ATOM 564 O ALA A 38 22.300 -8.809 1.564 1.00 11.43 O ATOM 565 CB ALA A 38 20.328 -10.321 -0.628 1.00 72.25 C ATOM 0 H ALA A 38 18.450 -8.753 -0.058 1.00 11.43 H new ATOM 0 HA ALA A 38 20.309 -10.340 1.510 1.00 64.01 H new ATOM 0 HB1 ALA A 38 21.314 -10.779 -0.706 1.00 72.25 H new ATOM 0 HB2 ALA A 38 19.563 -11.094 -0.701 1.00 72.25 H new ATOM 0 HB3 ALA A 38 20.197 -9.602 -1.437 1.00 72.25 H new ATOM 571 N LYS A 39 21.145 -7.429 0.215 1.00 24.43 N ATOM 572 CA LYS A 39 22.131 -6.357 0.283 1.00 74.40 C ATOM 573 C LYS A 39 21.912 -5.492 1.519 1.00 20.11 C ATOM 574 O LYS A 39 22.842 -5.239 2.285 1.00 33.41 O ATOM 575 CB LYS A 39 22.062 -5.492 -0.978 1.00 32.01 C ATOM 576 CG LYS A 39 23.373 -4.802 -1.314 1.00 13.31 C ATOM 577 CD LYS A 39 23.256 -3.969 -2.580 1.00 0.14 C ATOM 578 CE LYS A 39 23.321 -4.839 -3.826 1.00 0.24 C ATOM 579 NZ LYS A 39 24.724 -5.172 -4.197 1.00 32.20 N ATOM 0 H LYS A 39 20.334 -7.219 -0.367 1.00 24.43 H new ATOM 0 HA LYS A 39 23.120 -6.811 0.351 1.00 74.40 H new ATOM 0 HB2 LYS A 39 21.763 -6.116 -1.820 1.00 32.01 H new ATOM 0 HB3 LYS A 39 21.286 -4.737 -0.849 1.00 32.01 H new ATOM 0 HG2 LYS A 39 23.672 -4.163 -0.483 1.00 13.31 H new ATOM 0 HG3 LYS A 39 24.157 -5.549 -1.440 1.00 13.31 H new ATOM 0 HD2 LYS A 39 22.316 -3.417 -2.569 1.00 0.14 H new ATOM 0 HD3 LYS A 39 24.058 -3.232 -2.607 1.00 0.14 H new ATOM 0 HE2 LYS A 39 22.762 -5.759 -3.656 1.00 0.24 H new ATOM 0 HE3 LYS A 39 22.839 -4.322 -4.656 1.00 0.24 H new ATOM 0 HZ1 LYS A 39 24.726 -5.766 -5.051 1.00 32.20 H new ATOM 0 HZ2 LYS A 39 25.251 -4.295 -4.384 1.00 32.20 H new ATOM 0 HZ3 LYS A 39 25.177 -5.688 -3.416 1.00 32.20 H new ATOM 593 N ASP A 40 20.676 -5.042 1.709 1.00 63.34 N ATOM 594 CA ASP A 40 20.333 -4.207 2.854 1.00 12.34 C ATOM 595 C ASP A 40 20.803 -4.850 4.155 1.00 41.35 C ATOM 596 O ASP A 40 21.636 -4.293 4.870 1.00 11.14 O ATOM 597 CB ASP A 40 18.823 -3.968 2.904 1.00 60.32 C ATOM 598 CG ASP A 40 18.463 -2.702 3.657 1.00 10.42 C ATOM 599 OD1 ASP A 40 18.615 -1.606 3.079 1.00 43.03 O ATOM 600 OD2 ASP A 40 18.028 -2.808 4.823 1.00 22.23 O ATOM 0 H ASP A 40 19.895 -5.242 1.084 1.00 63.34 H new ATOM 0 HA ASP A 40 20.840 -3.249 2.739 1.00 12.34 H new ATOM 0 HB2 ASP A 40 18.434 -3.906 1.888 1.00 60.32 H new ATOM 0 HB3 ASP A 40 18.338 -4.821 3.380 1.00 60.32 H new ATOM 605 N PHE A 41 20.262 -6.026 4.458 1.00 51.23 N ATOM 606 CA PHE A 41 20.623 -6.744 5.674 1.00 55.34 C ATOM 607 C PHE A 41 21.962 -7.458 5.506 1.00 13.42 C ATOM 608 O PHE A 41 22.508 -8.007 6.461 1.00 4.32 O ATOM 609 CB PHE A 41 19.535 -7.756 6.037 1.00 32.53 C ATOM 610 CG PHE A 41 18.191 -7.130 6.281 1.00 72.32 C ATOM 611 CD1 PHE A 41 18.066 -6.027 7.111 1.00 12.33 C ATOM 612 CD2 PHE A 41 17.053 -7.642 5.679 1.00 73.13 C ATOM 613 CE1 PHE A 41 16.832 -5.449 7.337 1.00 51.15 C ATOM 614 CE2 PHE A 41 15.816 -7.068 5.902 1.00 63.51 C ATOM 615 CZ PHE A 41 15.705 -5.970 6.731 1.00 32.44 C ATOM 0 H PHE A 41 19.572 -6.502 3.877 1.00 51.23 H new ATOM 0 HA PHE A 41 20.717 -6.017 6.481 1.00 55.34 H new ATOM 0 HB2 PHE A 41 19.446 -8.486 5.233 1.00 32.53 H new ATOM 0 HB3 PHE A 41 19.840 -8.301 6.930 1.00 32.53 H new ATOM 0 HD1 PHE A 41 18.944 -5.615 7.587 1.00 12.33 H new ATOM 0 HD2 PHE A 41 17.134 -8.500 5.028 1.00 73.13 H new ATOM 0 HE1 PHE A 41 16.748 -4.591 7.987 1.00 51.15 H new ATOM 0 HE2 PHE A 41 14.937 -7.478 5.428 1.00 63.51 H new ATOM 0 HZ PHE A 41 14.739 -5.519 6.906 1.00 32.44 H new ATOM 625 N ASN A 42 22.482 -7.446 4.284 1.00 62.01 N ATOM 626 CA ASN A 42 23.756 -8.093 3.990 1.00 43.41 C ATOM 627 C ASN A 42 23.700 -9.581 4.321 1.00 32.20 C ATOM 628 O ASN A 42 24.676 -10.158 4.802 1.00 14.03 O ATOM 629 CB ASN A 42 24.885 -7.426 4.776 1.00 74.50 C ATOM 630 CG ASN A 42 25.522 -6.280 4.015 1.00 43.04 C ATOM 631 OD1 ASN A 42 25.452 -5.125 4.434 1.00 64.32 O ATOM 632 ND2 ASN A 42 26.150 -6.596 2.888 1.00 71.31 N ATOM 0 H ASN A 42 22.042 -6.996 3.481 1.00 62.01 H new ATOM 0 HA ASN A 42 23.952 -7.984 2.923 1.00 43.41 H new ATOM 0 HB2 ASN A 42 24.494 -7.056 5.724 1.00 74.50 H new ATOM 0 HB3 ASN A 42 25.647 -8.169 5.013 1.00 74.50 H new ATOM 0 HD21 ASN A 42 26.599 -5.868 2.333 1.00 71.31 H new ATOM 0 HD22 ASN A 42 26.184 -7.567 2.578 1.00 71.31 H new ATOM 639 N LEU A 43 22.552 -10.196 4.063 1.00 0.14 N ATOM 640 CA LEU A 43 22.367 -11.619 4.333 1.00 4.12 C ATOM 641 C LEU A 43 23.490 -12.441 3.712 1.00 55.50 C ATOM 642 O LEU A 43 24.067 -12.055 2.695 1.00 12.51 O ATOM 643 CB LEU A 43 21.015 -12.089 3.793 1.00 2.23 C ATOM 644 CG LEU A 43 19.783 -11.613 4.563 1.00 32.43 C ATOM 645 CD1 LEU A 43 18.510 -12.069 3.865 1.00 22.23 C ATOM 646 CD2 LEU A 43 19.819 -12.123 5.996 1.00 61.35 C ATOM 0 H LEU A 43 21.734 -9.733 3.667 1.00 0.14 H new ATOM 0 HA LEU A 43 22.390 -11.765 5.413 1.00 4.12 H new ATOM 0 HB2 LEU A 43 20.924 -11.756 2.759 1.00 2.23 H new ATOM 0 HB3 LEU A 43 21.011 -13.179 3.778 1.00 2.23 H new ATOM 0 HG LEU A 43 19.791 -10.523 4.587 1.00 32.43 H new ATOM 0 HD11 LEU A 43 17.643 -11.722 4.427 1.00 22.23 H new ATOM 0 HD12 LEU A 43 18.479 -11.655 2.857 1.00 22.23 H new ATOM 0 HD13 LEU A 43 18.495 -13.158 3.811 1.00 22.23 H new ATOM 0 HD21 LEU A 43 18.934 -11.774 6.529 1.00 61.35 H new ATOM 0 HD22 LEU A 43 19.835 -13.213 5.994 1.00 61.35 H new ATOM 0 HD23 LEU A 43 20.713 -11.748 6.493 1.00 61.35 H new ATOM 658 N ASP A 44 23.795 -13.578 4.328 1.00 13.11 N ATOM 659 CA ASP A 44 24.846 -14.458 3.833 1.00 72.53 C ATOM 660 C ASP A 44 24.272 -15.522 2.902 1.00 75.24 C ATOM 661 O ASP A 44 23.087 -15.846 2.970 1.00 40.44 O ATOM 662 CB ASP A 44 25.574 -15.125 5.002 1.00 51.15 C ATOM 663 CG ASP A 44 27.050 -14.778 5.038 1.00 21.20 C ATOM 664 OD1 ASP A 44 27.716 -14.906 3.990 1.00 30.42 O ATOM 665 OD2 ASP A 44 27.537 -14.376 6.116 1.00 63.34 O ATOM 0 H ASP A 44 23.329 -13.912 5.172 1.00 13.11 H new ATOM 0 HA ASP A 44 25.556 -13.853 3.269 1.00 72.53 H new ATOM 0 HB2 ASP A 44 25.109 -14.818 5.939 1.00 51.15 H new ATOM 0 HB3 ASP A 44 25.460 -16.206 4.928 1.00 51.15 H new ATOM 670 N SER A 45 25.122 -16.059 2.031 1.00 65.32 N ATOM 671 CA SER A 45 24.698 -17.083 1.083 1.00 60.12 C ATOM 672 C SER A 45 24.017 -18.243 1.803 1.00 31.24 C ATOM 673 O SER A 45 23.175 -18.935 1.231 1.00 40.22 O ATOM 674 CB SER A 45 25.897 -17.595 0.285 1.00 63.42 C ATOM 675 OG SER A 45 26.701 -16.522 -0.176 1.00 12.42 O ATOM 0 H SER A 45 26.107 -15.802 1.963 1.00 65.32 H new ATOM 0 HA SER A 45 23.979 -16.634 0.397 1.00 60.12 H new ATOM 0 HB2 SER A 45 26.495 -18.260 0.908 1.00 63.42 H new ATOM 0 HB3 SER A 45 25.548 -18.183 -0.564 1.00 63.42 H new ATOM 0 HG SER A 45 27.462 -16.877 -0.682 1.00 12.42 H new ATOM 681 N LEU A 46 24.389 -18.449 3.061 1.00 71.33 N ATOM 682 CA LEU A 46 23.816 -19.525 3.862 1.00 25.25 C ATOM 683 C LEU A 46 22.382 -19.199 4.267 1.00 62.14 C ATOM 684 O LEU A 46 21.479 -20.021 4.107 1.00 62.33 O ATOM 685 CB LEU A 46 24.667 -19.768 5.110 1.00 13.24 C ATOM 686 CG LEU A 46 26.143 -20.082 4.866 1.00 31.11 C ATOM 687 CD1 LEU A 46 26.935 -19.971 6.159 1.00 42.14 C ATOM 688 CD2 LEU A 46 26.300 -21.469 4.259 1.00 75.23 C ATOM 0 H LEU A 46 25.085 -17.885 3.549 1.00 71.33 H new ATOM 0 HA LEU A 46 23.806 -20.430 3.254 1.00 25.25 H new ATOM 0 HB2 LEU A 46 24.605 -18.885 5.745 1.00 13.24 H new ATOM 0 HB3 LEU A 46 24.228 -20.594 5.669 1.00 13.24 H new ATOM 0 HG LEU A 46 26.537 -19.351 4.160 1.00 31.11 H new ATOM 0 HD11 LEU A 46 27.983 -20.198 5.964 1.00 42.14 H new ATOM 0 HD12 LEU A 46 26.850 -18.958 6.552 1.00 42.14 H new ATOM 0 HD13 LEU A 46 26.540 -20.677 6.889 1.00 42.14 H new ATOM 0 HD21 LEU A 46 27.357 -21.676 4.092 1.00 75.23 H new ATOM 0 HD22 LEU A 46 25.888 -22.213 4.941 1.00 75.23 H new ATOM 0 HD23 LEU A 46 25.767 -21.513 3.309 1.00 75.23 H new ATOM 700 N ASP A 47 22.180 -17.993 4.788 1.00 2.12 N ATOM 701 CA ASP A 47 20.854 -17.557 5.212 1.00 55.22 C ATOM 702 C ASP A 47 19.860 -17.641 4.059 1.00 62.23 C ATOM 703 O ASP A 47 18.776 -18.208 4.200 1.00 64.30 O ATOM 704 CB ASP A 47 20.913 -16.126 5.748 1.00 35.55 C ATOM 705 CG ASP A 47 20.365 -16.012 7.157 1.00 1.24 C ATOM 706 OD1 ASP A 47 20.973 -16.594 8.080 1.00 22.24 O ATOM 707 OD2 ASP A 47 19.327 -15.341 7.337 1.00 73.34 O ATOM 0 H ASP A 47 22.916 -17.301 4.927 1.00 2.12 H new ATOM 0 HA ASP A 47 20.516 -18.221 6.007 1.00 55.22 H new ATOM 0 HB2 ASP A 47 21.946 -15.778 5.734 1.00 35.55 H new ATOM 0 HB3 ASP A 47 20.347 -15.470 5.087 1.00 35.55 H new ATOM 712 N PHE A 48 20.235 -17.072 2.918 1.00 64.30 N ATOM 713 CA PHE A 48 19.376 -17.081 1.740 1.00 64.44 C ATOM 714 C PHE A 48 18.910 -18.498 1.417 1.00 11.41 C ATOM 715 O PHE A 48 17.719 -18.743 1.220 1.00 74.22 O ATOM 716 CB PHE A 48 20.114 -16.488 0.539 1.00 22.22 C ATOM 717 CG PHE A 48 19.198 -15.968 -0.532 1.00 52.44 C ATOM 718 CD1 PHE A 48 18.573 -14.739 -0.391 1.00 63.45 C ATOM 719 CD2 PHE A 48 18.960 -16.708 -1.678 1.00 12.05 C ATOM 720 CE1 PHE A 48 17.730 -14.257 -1.374 1.00 14.24 C ATOM 721 CE2 PHE A 48 18.117 -16.233 -2.665 1.00 10.41 C ATOM 722 CZ PHE A 48 17.501 -15.005 -2.512 1.00 43.02 C ATOM 0 H PHE A 48 21.129 -16.599 2.784 1.00 64.30 H new ATOM 0 HA PHE A 48 18.500 -16.470 1.956 1.00 64.44 H new ATOM 0 HB2 PHE A 48 20.756 -15.677 0.882 1.00 22.22 H new ATOM 0 HB3 PHE A 48 20.765 -17.250 0.110 1.00 22.22 H new ATOM 0 HD1 PHE A 48 18.747 -14.151 0.498 1.00 63.45 H new ATOM 0 HD2 PHE A 48 19.439 -17.668 -1.802 1.00 12.05 H new ATOM 0 HE1 PHE A 48 17.251 -13.297 -1.253 1.00 14.24 H new ATOM 0 HE2 PHE A 48 17.940 -16.820 -3.554 1.00 10.41 H new ATOM 0 HZ PHE A 48 16.842 -14.631 -3.281 1.00 43.02 H new ATOM 732 N VAL A 49 19.858 -19.428 1.362 1.00 31.14 N ATOM 733 CA VAL A 49 19.547 -20.820 1.063 1.00 4.02 C ATOM 734 C VAL A 49 18.449 -21.347 1.980 1.00 75.11 C ATOM 735 O VAL A 49 17.449 -21.895 1.516 1.00 13.45 O ATOM 736 CB VAL A 49 20.792 -21.716 1.204 1.00 23.20 C ATOM 737 CG1 VAL A 49 20.422 -23.179 1.014 1.00 42.05 C ATOM 738 CG2 VAL A 49 21.865 -21.295 0.211 1.00 40.22 C ATOM 0 H VAL A 49 20.848 -19.242 1.521 1.00 31.14 H new ATOM 0 HA VAL A 49 19.200 -20.852 0.030 1.00 4.02 H new ATOM 0 HB VAL A 49 21.193 -21.596 2.210 1.00 23.20 H new ATOM 0 HG11 VAL A 49 21.314 -23.796 1.117 1.00 42.05 H new ATOM 0 HG12 VAL A 49 19.690 -23.470 1.768 1.00 42.05 H new ATOM 0 HG13 VAL A 49 19.996 -23.320 0.021 1.00 42.05 H new ATOM 0 HG21 VAL A 49 22.738 -21.938 0.324 1.00 40.22 H new ATOM 0 HG22 VAL A 49 21.477 -21.385 -0.804 1.00 40.22 H new ATOM 0 HG23 VAL A 49 22.150 -20.260 0.400 1.00 40.22 H new ATOM 748 N ASP A 50 18.642 -21.177 3.283 1.00 22.50 N ATOM 749 CA ASP A 50 17.667 -21.633 4.266 1.00 13.12 C ATOM 750 C ASP A 50 16.329 -20.925 4.076 1.00 71.13 C ATOM 751 O ASP A 50 15.270 -21.490 4.351 1.00 54.43 O ATOM 752 CB ASP A 50 18.188 -21.392 5.684 1.00 0.42 C ATOM 753 CG ASP A 50 17.431 -22.195 6.724 1.00 65.22 C ATOM 754 OD1 ASP A 50 16.338 -21.753 7.136 1.00 60.22 O ATOM 755 OD2 ASP A 50 17.932 -23.266 7.125 1.00 24.13 O ATOM 0 H ASP A 50 19.465 -20.727 3.683 1.00 22.50 H new ATOM 0 HA ASP A 50 17.515 -22.702 4.119 1.00 13.12 H new ATOM 0 HB2 ASP A 50 19.246 -21.652 5.728 1.00 0.42 H new ATOM 0 HB3 ASP A 50 18.110 -20.331 5.921 1.00 0.42 H new ATOM 760 N LEU A 51 16.385 -19.685 3.603 1.00 21.14 N ATOM 761 CA LEU A 51 15.178 -18.897 3.376 1.00 73.32 C ATOM 762 C LEU A 51 14.356 -19.479 2.229 1.00 12.04 C ATOM 763 O LEU A 51 13.191 -19.834 2.406 1.00 41.05 O ATOM 764 CB LEU A 51 15.543 -17.443 3.071 1.00 42.44 C ATOM 765 CG LEU A 51 15.465 -16.470 4.248 1.00 31.31 C ATOM 766 CD1 LEU A 51 16.433 -15.315 4.051 1.00 12.25 C ATOM 767 CD2 LEU A 51 14.044 -15.954 4.420 1.00 62.45 C ATOM 0 H LEU A 51 17.253 -19.203 3.369 1.00 21.14 H new ATOM 0 HA LEU A 51 14.576 -18.930 4.284 1.00 73.32 H new ATOM 0 HB2 LEU A 51 16.558 -17.420 2.673 1.00 42.44 H new ATOM 0 HB3 LEU A 51 14.883 -17.082 2.282 1.00 42.44 H new ATOM 0 HG LEU A 51 15.749 -17.004 5.155 1.00 31.31 H new ATOM 0 HD11 LEU A 51 16.363 -14.633 4.899 1.00 12.25 H new ATOM 0 HD12 LEU A 51 17.450 -15.701 3.978 1.00 12.25 H new ATOM 0 HD13 LEU A 51 16.181 -14.781 3.134 1.00 12.25 H new ATOM 0 HD21 LEU A 51 14.007 -15.263 5.262 1.00 62.45 H new ATOM 0 HD22 LEU A 51 13.732 -15.437 3.512 1.00 62.45 H new ATOM 0 HD23 LEU A 51 13.373 -16.792 4.609 1.00 62.45 H new ATOM 779 N ILE A 52 14.973 -19.573 1.056 1.00 42.41 N ATOM 780 CA ILE A 52 14.299 -20.114 -0.118 1.00 64.52 C ATOM 781 C ILE A 52 13.815 -21.539 0.134 1.00 62.04 C ATOM 782 O ILE A 52 12.735 -21.925 -0.311 1.00 73.21 O ATOM 783 CB ILE A 52 15.224 -20.108 -1.350 1.00 52.01 C ATOM 784 CG1 ILE A 52 16.527 -20.850 -1.041 1.00 60.25 C ATOM 785 CG2 ILE A 52 15.511 -18.680 -1.789 1.00 40.14 C ATOM 786 CD1 ILE A 52 17.532 -20.799 -2.169 1.00 45.42 C ATOM 0 H ILE A 52 15.937 -19.282 0.893 1.00 42.41 H new ATOM 0 HA ILE A 52 13.441 -19.471 -0.315 1.00 64.52 H new ATOM 0 HB ILE A 52 14.720 -20.624 -2.167 1.00 52.01 H new ATOM 0 HG12 ILE A 52 16.976 -20.421 -0.145 1.00 60.25 H new ATOM 0 HG13 ILE A 52 16.298 -21.892 -0.816 1.00 60.25 H new ATOM 0 HG21 ILE A 52 16.166 -18.692 -2.660 1.00 40.14 H new ATOM 0 HG22 ILE A 52 14.575 -18.183 -2.045 1.00 40.14 H new ATOM 0 HG23 ILE A 52 15.998 -18.141 -0.977 1.00 40.14 H new ATOM 0 HD11 ILE A 52 18.430 -21.345 -1.881 1.00 45.42 H new ATOM 0 HD12 ILE A 52 17.101 -21.254 -3.061 1.00 45.42 H new ATOM 0 HD13 ILE A 52 17.790 -19.761 -2.380 1.00 45.42 H new ATOM 798 N MET A 53 14.621 -22.313 0.851 1.00 51.11 N ATOM 799 CA MET A 53 14.274 -23.695 1.166 1.00 32.40 C ATOM 800 C MET A 53 13.107 -23.752 2.146 1.00 13.42 C ATOM 801 O MET A 53 12.232 -24.611 2.035 1.00 74.24 O ATOM 802 CB MET A 53 15.483 -24.427 1.750 1.00 44.13 C ATOM 803 CG MET A 53 16.542 -24.773 0.716 1.00 25.10 C ATOM 804 SD MET A 53 17.167 -26.454 0.896 1.00 72.30 S ATOM 805 CE MET A 53 15.677 -27.403 0.596 1.00 3.12 C ATOM 0 H MET A 53 15.519 -22.008 1.226 1.00 51.11 H new ATOM 0 HA MET A 53 13.973 -24.188 0.241 1.00 32.40 H new ATOM 0 HB2 MET A 53 15.933 -23.807 2.525 1.00 44.13 H new ATOM 0 HB3 MET A 53 15.144 -25.344 2.232 1.00 44.13 H new ATOM 0 HG2 MET A 53 16.123 -24.651 -0.283 1.00 25.10 H new ATOM 0 HG3 MET A 53 17.371 -24.070 0.802 1.00 25.10 H new ATOM 0 HE1 MET A 53 15.943 -28.384 0.202 1.00 3.12 H new ATOM 0 HE2 MET A 53 15.128 -27.524 1.530 1.00 3.12 H new ATOM 0 HE3 MET A 53 15.051 -26.879 -0.127 1.00 3.12 H new ATOM 815 N SER A 54 13.100 -22.833 3.105 1.00 2.33 N ATOM 816 CA SER A 54 12.043 -22.782 4.108 1.00 62.54 C ATOM 817 C SER A 54 10.692 -22.495 3.460 1.00 44.30 C ATOM 818 O SER A 54 9.725 -23.231 3.662 1.00 20.01 O ATOM 819 CB SER A 54 12.356 -21.710 5.156 1.00 71.54 C ATOM 820 OG SER A 54 11.188 -21.337 5.867 1.00 73.12 O ATOM 0 H SER A 54 13.815 -22.113 3.209 1.00 2.33 H new ATOM 0 HA SER A 54 11.993 -23.755 4.597 1.00 62.54 H new ATOM 0 HB2 SER A 54 13.105 -22.086 5.853 1.00 71.54 H new ATOM 0 HB3 SER A 54 12.784 -20.834 4.669 1.00 71.54 H new ATOM 0 HG SER A 54 11.414 -20.653 6.531 1.00 73.12 H new ATOM 826 N LEU A 55 10.633 -21.423 2.679 1.00 14.25 N ATOM 827 CA LEU A 55 9.402 -21.038 1.999 1.00 10.24 C ATOM 828 C LEU A 55 9.015 -22.072 0.947 1.00 75.25 C ATOM 829 O LEU A 55 7.834 -22.364 0.756 1.00 71.11 O ATOM 830 CB LEU A 55 9.564 -19.664 1.344 1.00 41.14 C ATOM 831 CG LEU A 55 9.158 -18.462 2.197 1.00 21.31 C ATOM 832 CD1 LEU A 55 9.596 -17.165 1.534 1.00 72.20 C ATOM 833 CD2 LEU A 55 7.655 -18.460 2.435 1.00 42.13 C ATOM 0 H LEU A 55 11.424 -20.804 2.501 1.00 14.25 H new ATOM 0 HA LEU A 55 8.607 -20.987 2.743 1.00 10.24 H new ATOM 0 HB2 LEU A 55 10.608 -19.543 1.054 1.00 41.14 H new ATOM 0 HB3 LEU A 55 8.975 -19.649 0.427 1.00 41.14 H new ATOM 0 HG LEU A 55 9.658 -18.540 3.162 1.00 21.31 H new ATOM 0 HD11 LEU A 55 9.299 -16.320 2.155 1.00 72.20 H new ATOM 0 HD12 LEU A 55 10.680 -17.165 1.416 1.00 72.20 H new ATOM 0 HD13 LEU A 55 9.124 -17.079 0.555 1.00 72.20 H new ATOM 0 HD21 LEU A 55 7.384 -17.597 3.044 1.00 42.13 H new ATOM 0 HD22 LEU A 55 7.135 -18.406 1.478 1.00 42.13 H new ATOM 0 HD23 LEU A 55 7.367 -19.375 2.953 1.00 42.13 H new ATOM 845 N GLU A 56 10.016 -22.624 0.270 1.00 54.04 N ATOM 846 CA GLU A 56 9.779 -23.627 -0.761 1.00 2.32 C ATOM 847 C GLU A 56 9.038 -24.831 -0.189 1.00 62.44 C ATOM 848 O GLU A 56 8.011 -25.251 -0.722 1.00 54.25 O ATOM 849 CB GLU A 56 11.103 -24.078 -1.380 1.00 1.43 C ATOM 850 CG GLU A 56 10.943 -25.131 -2.463 1.00 42.31 C ATOM 851 CD GLU A 56 12.225 -25.896 -2.729 1.00 5.51 C ATOM 852 OE1 GLU A 56 12.981 -26.137 -1.765 1.00 14.34 O ATOM 853 OE2 GLU A 56 12.472 -26.253 -3.899 1.00 62.11 O ATOM 0 H GLU A 56 10.999 -22.394 0.417 1.00 54.04 H new ATOM 0 HA GLU A 56 9.159 -23.174 -1.535 1.00 2.32 H new ATOM 0 HB2 GLU A 56 11.611 -23.211 -1.801 1.00 1.43 H new ATOM 0 HB3 GLU A 56 11.746 -24.473 -0.593 1.00 1.43 H new ATOM 0 HG2 GLU A 56 10.161 -25.831 -2.170 1.00 42.31 H new ATOM 0 HG3 GLU A 56 10.613 -24.651 -3.385 1.00 42.31 H new ATOM 860 N GLU A 57 9.565 -25.381 0.901 1.00 54.50 N ATOM 861 CA GLU A 57 8.954 -26.538 1.544 1.00 24.33 C ATOM 862 C GLU A 57 7.660 -26.147 2.252 1.00 63.24 C ATOM 863 O GLU A 57 6.728 -26.945 2.350 1.00 51.32 O ATOM 864 CB GLU A 57 9.926 -27.164 2.547 1.00 70.42 C ATOM 865 CG GLU A 57 10.154 -26.315 3.786 1.00 45.51 C ATOM 866 CD GLU A 57 11.069 -26.985 4.793 1.00 41.40 C ATOM 867 OE1 GLU A 57 10.566 -27.774 5.619 1.00 54.52 O ATOM 868 OE2 GLU A 57 12.289 -26.719 4.752 1.00 54.44 O ATOM 0 H GLU A 57 10.413 -25.044 1.357 1.00 54.50 H new ATOM 0 HA GLU A 57 8.719 -27.269 0.770 1.00 24.33 H new ATOM 0 HB2 GLU A 57 9.544 -28.139 2.850 1.00 70.42 H new ATOM 0 HB3 GLU A 57 10.883 -27.336 2.054 1.00 70.42 H new ATOM 0 HG2 GLU A 57 10.583 -25.357 3.492 1.00 45.51 H new ATOM 0 HG3 GLU A 57 9.195 -26.103 4.258 1.00 45.51 H new ATOM 875 N ARG A 58 7.610 -24.912 2.741 1.00 53.32 N ATOM 876 CA ARG A 58 6.431 -24.414 3.441 1.00 13.33 C ATOM 877 C ARG A 58 5.200 -24.475 2.541 1.00 74.53 C ATOM 878 O ARG A 58 4.193 -25.092 2.890 1.00 31.54 O ATOM 879 CB ARG A 58 6.661 -22.977 3.912 1.00 54.15 C ATOM 880 CG ARG A 58 5.488 -22.394 4.682 1.00 74.42 C ATOM 881 CD ARG A 58 5.661 -22.575 6.183 1.00 52.45 C ATOM 882 NE ARG A 58 5.251 -23.907 6.624 1.00 53.44 N ATOM 883 CZ ARG A 58 5.365 -24.333 7.876 1.00 23.30 C ATOM 884 NH1 ARG A 58 5.874 -23.537 8.807 1.00 42.21 N ATOM 885 NH2 ARG A 58 4.969 -25.558 8.201 1.00 23.43 N ATOM 0 H ARG A 58 8.372 -24.238 2.666 1.00 53.32 H new ATOM 0 HA ARG A 58 6.258 -25.050 4.309 1.00 13.33 H new ATOM 0 HB2 ARG A 58 7.549 -22.948 4.543 1.00 54.15 H new ATOM 0 HB3 ARG A 58 6.865 -22.348 3.046 1.00 54.15 H new ATOM 0 HG2 ARG A 58 5.391 -21.333 4.451 1.00 74.42 H new ATOM 0 HG3 ARG A 58 4.565 -22.876 4.360 1.00 74.42 H new ATOM 0 HD2 ARG A 58 6.705 -22.410 6.450 1.00 52.45 H new ATOM 0 HD3 ARG A 58 5.074 -21.822 6.709 1.00 52.45 H new ATOM 0 HE ARG A 58 4.856 -24.544 5.932 1.00 53.44 H new ATOM 0 HH11 ARG A 58 6.179 -22.595 8.562 1.00 42.21 H new ATOM 0 HH12 ARG A 58 5.960 -23.867 9.768 1.00 42.21 H new ATOM 0 HH21 ARG A 58 4.577 -26.173 7.488 1.00 23.43 H new ATOM 0 HH22 ARG A 58 5.057 -25.884 9.163 1.00 23.43 H new ATOM 899 N PHE A 59 5.287 -23.829 1.382 1.00 13.35 N ATOM 900 CA PHE A 59 4.180 -23.808 0.434 1.00 45.43 C ATOM 901 C PHE A 59 4.360 -24.881 -0.636 1.00 63.14 C ATOM 902 O PHE A 59 3.640 -24.905 -1.634 1.00 53.21 O ATOM 903 CB PHE A 59 4.070 -22.430 -0.223 1.00 45.14 C ATOM 904 CG PHE A 59 3.570 -21.362 0.706 1.00 12.43 C ATOM 905 CD1 PHE A 59 4.457 -20.618 1.468 1.00 75.51 C ATOM 906 CD2 PHE A 59 2.214 -21.100 0.819 1.00 71.35 C ATOM 907 CE1 PHE A 59 4.001 -19.633 2.325 1.00 32.52 C ATOM 908 CE2 PHE A 59 1.753 -20.117 1.673 1.00 62.10 C ATOM 909 CZ PHE A 59 2.647 -19.383 2.428 1.00 34.21 C ATOM 0 H PHE A 59 6.113 -23.314 1.078 1.00 13.35 H new ATOM 0 HA PHE A 59 3.261 -24.017 0.982 1.00 45.43 H new ATOM 0 HB2 PHE A 59 5.049 -22.139 -0.605 1.00 45.14 H new ATOM 0 HB3 PHE A 59 3.400 -22.497 -1.080 1.00 45.14 H new ATOM 0 HD1 PHE A 59 5.517 -20.810 1.392 1.00 75.51 H new ATOM 0 HD2 PHE A 59 1.509 -21.671 0.233 1.00 71.35 H new ATOM 0 HE1 PHE A 59 4.703 -19.060 2.913 1.00 32.52 H new ATOM 0 HE2 PHE A 59 0.694 -19.922 1.750 1.00 62.10 H new ATOM 0 HZ PHE A 59 2.288 -18.615 3.097 1.00 34.21 H new ATOM 919 N SER A 60 5.327 -25.767 -0.419 1.00 31.03 N ATOM 920 CA SER A 60 5.605 -26.840 -1.367 1.00 23.01 C ATOM 921 C SER A 60 5.783 -26.287 -2.778 1.00 74.45 C ATOM 922 O SER A 60 5.492 -26.966 -3.764 1.00 64.52 O ATOM 923 CB SER A 60 4.475 -27.871 -1.349 1.00 35.11 C ATOM 924 OG SER A 60 4.937 -29.143 -1.771 1.00 74.33 O ATOM 0 H SER A 60 5.930 -25.763 0.404 1.00 31.03 H new ATOM 0 HA SER A 60 6.534 -27.325 -1.066 1.00 23.01 H new ATOM 0 HB2 SER A 60 4.063 -27.946 -0.343 1.00 35.11 H new ATOM 0 HB3 SER A 60 3.666 -27.540 -2.001 1.00 35.11 H new ATOM 0 HG SER A 60 5.356 -29.063 -2.653 1.00 74.33 H new ATOM 930 N LEU A 61 6.262 -25.052 -2.866 1.00 21.40 N ATOM 931 CA LEU A 61 6.480 -24.406 -4.156 1.00 71.22 C ATOM 932 C LEU A 61 7.736 -24.947 -4.831 1.00 54.53 C ATOM 933 O LEU A 61 8.639 -25.456 -4.167 1.00 0.43 O ATOM 934 CB LEU A 61 6.597 -22.891 -3.976 1.00 74.25 C ATOM 935 CG LEU A 61 6.854 -22.083 -5.248 1.00 13.52 C ATOM 936 CD1 LEU A 61 5.719 -22.276 -6.242 1.00 25.20 C ATOM 937 CD2 LEU A 61 7.030 -20.608 -4.916 1.00 62.50 C ATOM 0 H LEU A 61 6.507 -24.477 -2.060 1.00 21.40 H new ATOM 0 HA LEU A 61 5.624 -24.626 -4.794 1.00 71.22 H new ATOM 0 HB2 LEU A 61 5.677 -22.527 -3.518 1.00 74.25 H new ATOM 0 HB3 LEU A 61 7.405 -22.690 -3.272 1.00 74.25 H new ATOM 0 HG LEU A 61 7.775 -22.445 -5.705 1.00 13.52 H new ATOM 0 HD11 LEU A 61 5.920 -21.693 -7.141 1.00 25.20 H new ATOM 0 HD12 LEU A 61 5.640 -23.331 -6.504 1.00 25.20 H new ATOM 0 HD13 LEU A 61 4.783 -21.942 -5.795 1.00 25.20 H new ATOM 0 HD21 LEU A 61 7.212 -20.048 -5.833 1.00 62.50 H new ATOM 0 HD22 LEU A 61 6.127 -20.233 -4.435 1.00 62.50 H new ATOM 0 HD23 LEU A 61 7.878 -20.485 -4.242 1.00 62.50 H new ATOM 949 N GLU A 62 7.785 -24.834 -6.155 1.00 64.11 N ATOM 950 CA GLU A 62 8.932 -25.311 -6.919 1.00 40.54 C ATOM 951 C GLU A 62 9.805 -24.146 -7.377 1.00 32.21 C ATOM 952 O GLU A 62 9.550 -23.536 -8.416 1.00 65.30 O ATOM 953 CB GLU A 62 8.464 -26.118 -8.132 1.00 3.23 C ATOM 954 CG GLU A 62 7.377 -25.429 -8.939 1.00 44.02 C ATOM 955 CD GLU A 62 7.511 -25.678 -10.429 1.00 2.22 C ATOM 956 OE1 GLU A 62 8.271 -26.593 -10.811 1.00 33.24 O ATOM 957 OE2 GLU A 62 6.855 -24.960 -11.213 1.00 32.41 O ATOM 0 H GLU A 62 7.045 -24.417 -6.720 1.00 64.11 H new ATOM 0 HA GLU A 62 9.526 -25.954 -6.269 1.00 40.54 H new ATOM 0 HB2 GLU A 62 9.318 -26.312 -8.780 1.00 3.23 H new ATOM 0 HB3 GLU A 62 8.095 -27.086 -7.793 1.00 3.23 H new ATOM 0 HG2 GLU A 62 6.402 -25.780 -8.602 1.00 44.02 H new ATOM 0 HG3 GLU A 62 7.413 -24.356 -8.749 1.00 44.02 H new ATOM 964 N ILE A 63 10.833 -23.841 -6.594 1.00 12.34 N ATOM 965 CA ILE A 63 11.744 -22.750 -6.918 1.00 13.42 C ATOM 966 C ILE A 63 13.055 -23.279 -7.488 1.00 50.35 C ATOM 967 O ILE A 63 13.599 -24.271 -7.003 1.00 1.03 O ATOM 968 CB ILE A 63 12.048 -21.884 -5.681 1.00 13.21 C ATOM 969 CG1 ILE A 63 10.750 -21.513 -4.961 1.00 12.13 C ATOM 970 CG2 ILE A 63 12.812 -20.632 -6.086 1.00 44.33 C ATOM 971 CD1 ILE A 63 10.966 -20.686 -3.713 1.00 31.30 C ATOM 0 H ILE A 63 11.057 -24.334 -5.730 1.00 12.34 H new ATOM 0 HA ILE A 63 11.246 -22.136 -7.668 1.00 13.42 H new ATOM 0 HB ILE A 63 12.670 -22.460 -4.996 1.00 13.21 H new ATOM 0 HG12 ILE A 63 10.109 -20.960 -5.647 1.00 12.13 H new ATOM 0 HG13 ILE A 63 10.218 -22.426 -4.694 1.00 12.13 H new ATOM 0 HG21 ILE A 63 13.019 -20.030 -5.201 1.00 44.33 H new ATOM 0 HG22 ILE A 63 13.751 -20.916 -6.560 1.00 44.33 H new ATOM 0 HG23 ILE A 63 12.213 -20.051 -6.787 1.00 44.33 H new ATOM 0 HD11 ILE A 63 10.003 -20.460 -3.255 1.00 31.30 H new ATOM 0 HD12 ILE A 63 11.581 -21.245 -3.008 1.00 31.30 H new ATOM 0 HD13 ILE A 63 11.470 -19.756 -3.976 1.00 31.30 H new ATOM 983 N SER A 64 13.558 -22.609 -8.521 1.00 62.12 N ATOM 984 CA SER A 64 14.805 -23.014 -9.159 1.00 24.42 C ATOM 985 C SER A 64 15.900 -21.977 -8.917 1.00 43.13 C ATOM 986 O SER A 64 15.616 -20.819 -8.611 1.00 51.43 O ATOM 987 CB SER A 64 14.594 -23.208 -10.661 1.00 11.30 C ATOM 988 OG SER A 64 13.296 -23.706 -10.934 1.00 62.42 O ATOM 0 H SER A 64 13.121 -21.784 -8.933 1.00 62.12 H new ATOM 0 HA SER A 64 15.120 -23.960 -8.719 1.00 24.42 H new ATOM 0 HB2 SER A 64 14.739 -22.259 -11.177 1.00 11.30 H new ATOM 0 HB3 SER A 64 15.341 -23.900 -11.050 1.00 11.30 H new ATOM 0 HG SER A 64 12.642 -22.982 -10.842 1.00 62.42 H new ATOM 994 N ASP A 65 17.150 -22.404 -9.058 1.00 62.34 N ATOM 995 CA ASP A 65 18.288 -21.514 -8.856 1.00 23.42 C ATOM 996 C ASP A 65 18.137 -20.243 -9.685 1.00 74.13 C ATOM 997 O ASP A 65 18.515 -19.157 -9.247 1.00 54.05 O ATOM 998 CB ASP A 65 19.590 -22.226 -9.223 1.00 52.11 C ATOM 999 CG ASP A 65 20.777 -21.705 -8.437 1.00 70.32 C ATOM 1000 OD1 ASP A 65 21.324 -20.650 -8.820 1.00 71.50 O ATOM 1001 OD2 ASP A 65 21.160 -22.353 -7.440 1.00 61.43 O ATOM 0 H ASP A 65 17.401 -23.360 -9.311 1.00 62.34 H new ATOM 0 HA ASP A 65 18.319 -21.237 -7.802 1.00 23.42 H new ATOM 0 HB2 ASP A 65 19.479 -23.295 -9.042 1.00 52.11 H new ATOM 0 HB3 ASP A 65 19.781 -22.101 -10.289 1.00 52.11 H new ATOM 1006 N GLU A 66 17.584 -20.387 -10.885 1.00 21.54 N ATOM 1007 CA GLU A 66 17.386 -19.250 -11.776 1.00 3.53 C ATOM 1008 C GLU A 66 16.216 -18.389 -11.309 1.00 44.45 C ATOM 1009 O GLU A 66 16.262 -17.162 -11.392 1.00 51.24 O ATOM 1010 CB GLU A 66 17.138 -19.732 -13.207 1.00 13.04 C ATOM 1011 CG GLU A 66 17.932 -18.966 -14.253 1.00 65.22 C ATOM 1012 CD GLU A 66 17.293 -17.639 -14.614 1.00 70.22 C ATOM 1013 OE1 GLU A 66 16.092 -17.631 -14.955 1.00 75.31 O ATOM 1014 OE2 GLU A 66 17.994 -16.608 -14.553 1.00 23.41 O ATOM 0 H GLU A 66 17.265 -21.279 -11.262 1.00 21.54 H new ATOM 0 HA GLU A 66 18.292 -18.644 -11.755 1.00 3.53 H new ATOM 0 HB2 GLU A 66 17.391 -20.790 -13.274 1.00 13.04 H new ATOM 0 HB3 GLU A 66 16.075 -19.643 -13.432 1.00 13.04 H new ATOM 0 HG2 GLU A 66 18.941 -18.790 -13.881 1.00 65.22 H new ATOM 0 HG3 GLU A 66 18.026 -19.576 -15.151 1.00 65.22 H new ATOM 1021 N ASP A 67 15.169 -19.043 -10.815 1.00 50.34 N ATOM 1022 CA ASP A 67 13.986 -18.339 -10.333 1.00 4.40 C ATOM 1023 C ASP A 67 14.349 -17.374 -9.208 1.00 63.04 C ATOM 1024 O ASP A 67 13.796 -16.280 -9.112 1.00 63.01 O ATOM 1025 CB ASP A 67 12.935 -19.336 -9.848 1.00 31.35 C ATOM 1026 CG ASP A 67 12.508 -20.303 -10.935 1.00 43.02 C ATOM 1027 OD1 ASP A 67 12.598 -19.935 -12.126 1.00 3.12 O ATOM 1028 OD2 ASP A 67 12.087 -21.429 -10.596 1.00 23.01 O ATOM 0 H ASP A 67 15.116 -20.059 -10.738 1.00 50.34 H new ATOM 0 HA ASP A 67 13.573 -17.764 -11.162 1.00 4.40 H new ATOM 0 HB2 ASP A 67 13.334 -19.897 -9.003 1.00 31.35 H new ATOM 0 HB3 ASP A 67 12.062 -18.792 -9.486 1.00 31.35 H new ATOM 1033 N ALA A 68 15.282 -17.791 -8.357 1.00 50.52 N ATOM 1034 CA ALA A 68 15.718 -16.965 -7.238 1.00 14.12 C ATOM 1035 C ALA A 68 16.523 -15.764 -7.725 1.00 75.14 C ATOM 1036 O ALA A 68 16.618 -14.751 -7.033 1.00 20.01 O ATOM 1037 CB ALA A 68 16.540 -17.792 -6.261 1.00 45.43 C ATOM 0 H ALA A 68 15.750 -18.695 -8.422 1.00 50.52 H new ATOM 0 HA ALA A 68 14.831 -16.592 -6.725 1.00 14.12 H new ATOM 0 HB1 ALA A 68 16.859 -17.163 -5.430 1.00 45.43 H new ATOM 0 HB2 ALA A 68 15.934 -18.615 -5.881 1.00 45.43 H new ATOM 0 HB3 ALA A 68 17.417 -18.192 -6.771 1.00 45.43 H new ATOM 1043 N GLN A 69 17.098 -15.886 -8.916 1.00 33.43 N ATOM 1044 CA GLN A 69 17.895 -14.810 -9.493 1.00 50.50 C ATOM 1045 C GLN A 69 17.058 -13.548 -9.673 1.00 42.43 C ATOM 1046 O GLN A 69 17.593 -12.446 -9.798 1.00 20.02 O ATOM 1047 CB GLN A 69 18.481 -15.244 -10.837 1.00 42.55 C ATOM 1048 CG GLN A 69 19.962 -14.931 -10.985 1.00 42.41 C ATOM 1049 CD GLN A 69 20.806 -15.576 -9.904 1.00 21.43 C ATOM 1050 OE1 GLN A 69 20.977 -16.794 -9.878 1.00 60.33 O ATOM 1051 NE2 GLN A 69 21.340 -14.758 -9.004 1.00 70.11 N ATOM 0 H GLN A 69 17.027 -16.719 -9.501 1.00 33.43 H new ATOM 0 HA GLN A 69 18.710 -14.588 -8.805 1.00 50.50 H new ATOM 0 HB2 GLN A 69 18.331 -16.317 -10.960 1.00 42.55 H new ATOM 0 HB3 GLN A 69 17.932 -14.751 -11.639 1.00 42.55 H new ATOM 0 HG2 GLN A 69 20.306 -15.273 -11.961 1.00 42.41 H new ATOM 0 HG3 GLN A 69 20.106 -13.851 -10.957 1.00 42.41 H new ATOM 0 HE21 GLN A 69 21.172 -13.754 -9.064 1.00 70.11 H new ATOM 0 HE22 GLN A 69 21.918 -15.134 -8.253 1.00 70.11 H new ATOM 1060 N LYS A 70 15.740 -13.717 -9.688 1.00 74.45 N ATOM 1061 CA LYS A 70 14.826 -12.593 -9.854 1.00 1.53 C ATOM 1062 C LYS A 70 14.050 -12.328 -8.567 1.00 1.43 C ATOM 1063 O LYS A 70 13.090 -11.556 -8.556 1.00 51.12 O ATOM 1064 CB LYS A 70 13.852 -12.865 -11.003 1.00 34.22 C ATOM 1065 CG LYS A 70 12.937 -14.051 -10.755 1.00 63.44 C ATOM 1066 CD LYS A 70 11.587 -13.863 -11.427 1.00 33.11 C ATOM 1067 CE LYS A 70 10.750 -12.812 -10.712 1.00 71.42 C ATOM 1068 NZ LYS A 70 9.293 -13.001 -10.959 1.00 44.31 N ATOM 0 H LYS A 70 15.281 -14.622 -9.587 1.00 74.45 H new ATOM 0 HA LYS A 70 15.417 -11.708 -10.090 1.00 1.53 H new ATOM 0 HB2 LYS A 70 13.244 -11.976 -11.171 1.00 34.22 H new ATOM 0 HB3 LYS A 70 14.420 -13.040 -11.917 1.00 34.22 H new ATOM 0 HG2 LYS A 70 13.408 -14.960 -11.130 1.00 63.44 H new ATOM 0 HG3 LYS A 70 12.795 -14.185 -9.683 1.00 63.44 H new ATOM 0 HD2 LYS A 70 11.734 -13.567 -12.466 1.00 33.11 H new ATOM 0 HD3 LYS A 70 11.050 -14.811 -11.439 1.00 33.11 H new ATOM 0 HE2 LYS A 70 10.946 -12.859 -9.641 1.00 71.42 H new ATOM 0 HE3 LYS A 70 11.050 -11.819 -11.048 1.00 71.42 H new ATOM 0 HZ1 LYS A 70 8.757 -12.266 -10.455 1.00 44.31 H new ATOM 0 HZ2 LYS A 70 9.102 -12.931 -11.979 1.00 44.31 H new ATOM 0 HZ3 LYS A 70 9.001 -13.938 -10.616 1.00 44.31 H new ATOM 1082 N LEU A 71 14.472 -12.974 -7.485 1.00 13.15 N ATOM 1083 CA LEU A 71 13.816 -12.807 -6.192 1.00 10.42 C ATOM 1084 C LEU A 71 14.810 -12.331 -5.136 1.00 61.30 C ATOM 1085 O LEU A 71 15.502 -13.137 -4.515 1.00 61.23 O ATOM 1086 CB LEU A 71 13.176 -14.124 -5.749 1.00 23.55 C ATOM 1087 CG LEU A 71 12.191 -14.755 -6.734 1.00 21.50 C ATOM 1088 CD1 LEU A 71 11.769 -16.136 -6.256 1.00 21.03 C ATOM 1089 CD2 LEU A 71 10.975 -13.859 -6.920 1.00 12.53 C ATOM 0 H LEU A 71 15.264 -13.617 -7.477 1.00 13.15 H new ATOM 0 HA LEU A 71 13.038 -12.051 -6.301 1.00 10.42 H new ATOM 0 HB2 LEU A 71 13.971 -14.843 -5.550 1.00 23.55 H new ATOM 0 HB3 LEU A 71 12.657 -13.954 -4.806 1.00 23.55 H new ATOM 0 HG LEU A 71 12.689 -14.863 -7.697 1.00 21.50 H new ATOM 0 HD11 LEU A 71 11.068 -16.570 -6.969 1.00 21.03 H new ATOM 0 HD12 LEU A 71 12.647 -16.777 -6.175 1.00 21.03 H new ATOM 0 HD13 LEU A 71 11.289 -16.053 -5.281 1.00 21.03 H new ATOM 0 HD21 LEU A 71 10.285 -14.324 -7.624 1.00 12.53 H new ATOM 0 HD22 LEU A 71 10.476 -13.719 -5.961 1.00 12.53 H new ATOM 0 HD23 LEU A 71 11.292 -12.891 -7.308 1.00 12.53 H new ATOM 1101 N GLU A 72 14.871 -11.018 -4.937 1.00 14.33 N ATOM 1102 CA GLU A 72 15.778 -10.436 -3.956 1.00 73.52 C ATOM 1103 C GLU A 72 15.014 -9.574 -2.953 1.00 43.43 C ATOM 1104 O GLU A 72 15.343 -9.542 -1.766 1.00 73.12 O ATOM 1105 CB GLU A 72 16.850 -9.597 -4.654 1.00 41.34 C ATOM 1106 CG GLU A 72 16.298 -8.676 -5.729 1.00 21.33 C ATOM 1107 CD GLU A 72 16.103 -9.382 -7.057 1.00 53.11 C ATOM 1108 OE1 GLU A 72 16.913 -10.277 -7.379 1.00 52.00 O ATOM 1109 OE2 GLU A 72 15.140 -9.040 -7.774 1.00 42.31 O ATOM 0 H GLU A 72 14.303 -10.338 -5.442 1.00 14.33 H new ATOM 0 HA GLU A 72 16.260 -11.251 -3.416 1.00 73.52 H new ATOM 0 HB2 GLU A 72 17.373 -8.998 -3.908 1.00 41.34 H new ATOM 0 HB3 GLU A 72 17.587 -10.264 -5.102 1.00 41.34 H new ATOM 0 HG2 GLU A 72 15.345 -8.266 -5.396 1.00 21.33 H new ATOM 0 HG3 GLU A 72 16.977 -7.834 -5.865 1.00 21.33 H new ATOM 1116 N THR A 73 13.993 -8.876 -3.440 1.00 72.44 N ATOM 1117 CA THR A 73 13.183 -8.013 -2.588 1.00 4.34 C ATOM 1118 C THR A 73 11.975 -8.761 -2.037 1.00 12.00 C ATOM 1119 O THR A 73 11.615 -9.829 -2.532 1.00 42.34 O ATOM 1120 CB THR A 73 12.697 -6.767 -3.353 1.00 65.13 C ATOM 1121 OG1 THR A 73 12.103 -7.157 -4.596 1.00 4.12 O ATOM 1122 CG2 THR A 73 13.848 -5.808 -3.612 1.00 4.33 C ATOM 0 H THR A 73 13.707 -8.891 -4.419 1.00 72.44 H new ATOM 0 HA THR A 73 13.819 -7.698 -1.761 1.00 4.34 H new ATOM 0 HB THR A 73 11.953 -6.258 -2.740 1.00 65.13 H new ATOM 0 HG1 THR A 73 11.795 -6.360 -5.076 1.00 4.12 H new ATOM 0 HG21 THR A 73 13.480 -4.936 -4.153 1.00 4.33 H new ATOM 0 HG22 THR A 73 14.278 -5.491 -2.662 1.00 4.33 H new ATOM 0 HG23 THR A 73 14.612 -6.309 -4.207 1.00 4.33 H new ATOM 1130 N VAL A 74 11.353 -8.193 -1.009 1.00 44.25 N ATOM 1131 CA VAL A 74 10.182 -8.807 -0.391 1.00 71.10 C ATOM 1132 C VAL A 74 9.034 -8.928 -1.387 1.00 60.12 C ATOM 1133 O VAL A 74 8.449 -9.999 -1.547 1.00 22.51 O ATOM 1134 CB VAL A 74 9.704 -7.999 0.830 1.00 25.12 C ATOM 1135 CG1 VAL A 74 8.441 -8.611 1.415 1.00 52.13 C ATOM 1136 CG2 VAL A 74 10.803 -7.918 1.879 1.00 34.04 C ATOM 0 H VAL A 74 11.639 -7.310 -0.586 1.00 44.25 H new ATOM 0 HA VAL A 74 10.482 -9.803 -0.065 1.00 71.10 H new ATOM 0 HB VAL A 74 9.470 -6.986 0.504 1.00 25.12 H new ATOM 0 HG11 VAL A 74 8.119 -8.026 2.277 1.00 52.13 H new ATOM 0 HG12 VAL A 74 7.654 -8.611 0.661 1.00 52.13 H new ATOM 0 HG13 VAL A 74 8.644 -9.635 1.727 1.00 52.13 H new ATOM 0 HG21 VAL A 74 10.448 -7.344 2.735 1.00 34.04 H new ATOM 0 HG22 VAL A 74 11.071 -8.923 2.203 1.00 34.04 H new ATOM 0 HG23 VAL A 74 11.678 -7.429 1.452 1.00 34.04 H new ATOM 1146 N ASP A 75 8.719 -7.824 -2.055 1.00 22.54 N ATOM 1147 CA ASP A 75 7.642 -7.807 -3.038 1.00 40.14 C ATOM 1148 C ASP A 75 7.904 -8.819 -4.148 1.00 70.00 C ATOM 1149 O ASP A 75 6.999 -9.541 -4.570 1.00 42.53 O ATOM 1150 CB ASP A 75 7.488 -6.405 -3.633 1.00 63.23 C ATOM 1151 CG ASP A 75 6.163 -6.222 -4.347 1.00 53.41 C ATOM 1152 OD1 ASP A 75 5.136 -6.062 -3.656 1.00 23.41 O ATOM 1153 OD2 ASP A 75 6.154 -6.238 -5.595 1.00 1.32 O ATOM 0 H ASP A 75 9.194 -6.929 -1.934 1.00 22.54 H new ATOM 0 HA ASP A 75 6.716 -8.082 -2.532 1.00 40.14 H new ATOM 0 HB2 ASP A 75 7.574 -5.664 -2.838 1.00 63.23 H new ATOM 0 HB3 ASP A 75 8.303 -6.219 -4.332 1.00 63.23 H new ATOM 1158 N ASP A 76 9.145 -8.865 -4.620 1.00 53.01 N ATOM 1159 CA ASP A 76 9.526 -9.789 -5.682 1.00 32.13 C ATOM 1160 C ASP A 76 9.298 -11.234 -5.252 1.00 4.15 C ATOM 1161 O ASP A 76 8.671 -12.014 -5.970 1.00 73.03 O ATOM 1162 CB ASP A 76 10.992 -9.583 -6.065 1.00 73.52 C ATOM 1163 CG ASP A 76 11.187 -8.397 -6.990 1.00 1.45 C ATOM 1164 OD1 ASP A 76 10.415 -7.422 -6.878 1.00 43.24 O ATOM 1165 OD2 ASP A 76 12.113 -8.446 -7.827 1.00 14.20 O ATOM 0 H ASP A 76 9.905 -8.273 -4.284 1.00 53.01 H new ATOM 0 HA ASP A 76 8.900 -9.584 -6.550 1.00 32.13 H new ATOM 0 HB2 ASP A 76 11.584 -9.437 -5.161 1.00 73.52 H new ATOM 0 HB3 ASP A 76 11.368 -10.484 -6.550 1.00 73.52 H new ATOM 1170 N ILE A 77 9.811 -11.585 -4.078 1.00 33.41 N ATOM 1171 CA ILE A 77 9.664 -12.937 -3.553 1.00 42.01 C ATOM 1172 C ILE A 77 8.195 -13.283 -3.331 1.00 14.23 C ATOM 1173 O ILE A 77 7.693 -14.275 -3.861 1.00 4.43 O ATOM 1174 CB ILE A 77 10.427 -13.113 -2.228 1.00 62.01 C ATOM 1175 CG1 ILE A 77 11.914 -12.815 -2.428 1.00 31.21 C ATOM 1176 CG2 ILE A 77 10.232 -14.521 -1.686 1.00 54.54 C ATOM 1177 CD1 ILE A 77 12.626 -12.409 -1.156 1.00 0.20 C ATOM 0 H ILE A 77 10.332 -10.952 -3.472 1.00 33.41 H new ATOM 0 HA ILE A 77 10.086 -13.612 -4.297 1.00 42.01 H new ATOM 0 HB ILE A 77 10.028 -12.407 -1.500 1.00 62.01 H new ATOM 0 HG12 ILE A 77 12.401 -13.698 -2.841 1.00 31.21 H new ATOM 0 HG13 ILE A 77 12.021 -12.019 -3.164 1.00 31.21 H new ATOM 0 HG21 ILE A 77 10.778 -14.629 -0.749 1.00 54.54 H new ATOM 0 HG22 ILE A 77 9.171 -14.700 -1.511 1.00 54.54 H new ATOM 0 HG23 ILE A 77 10.607 -15.245 -2.410 1.00 54.54 H new ATOM 0 HD11 ILE A 77 13.676 -12.213 -1.373 1.00 0.20 H new ATOM 0 HD12 ILE A 77 12.165 -11.508 -0.753 1.00 0.20 H new ATOM 0 HD13 ILE A 77 12.551 -13.213 -0.424 1.00 0.20 H new ATOM 1189 N CYS A 78 7.511 -12.458 -2.545 1.00 61.25 N ATOM 1190 CA CYS A 78 6.099 -12.676 -2.253 1.00 2.14 C ATOM 1191 C CYS A 78 5.287 -12.780 -3.540 1.00 72.24 C ATOM 1192 O CYS A 78 4.401 -13.627 -3.660 1.00 42.05 O ATOM 1193 CB CYS A 78 5.556 -11.541 -1.384 1.00 33.40 C ATOM 1194 SG CYS A 78 3.938 -11.881 -0.651 1.00 42.35 S ATOM 0 H CYS A 78 7.911 -11.633 -2.099 1.00 61.25 H new ATOM 0 HA CYS A 78 6.007 -13.616 -1.710 1.00 2.14 H new ATOM 0 HB2 CYS A 78 6.269 -11.336 -0.585 1.00 33.40 H new ATOM 0 HB3 CYS A 78 5.486 -10.637 -1.988 1.00 33.40 H new ATOM 0 HG CYS A 78 3.284 -12.710 -1.409 1.00 42.35 H new ATOM 1200 N ARG A 79 5.594 -11.912 -4.498 1.00 42.12 N ATOM 1201 CA ARG A 79 4.891 -11.905 -5.776 1.00 32.51 C ATOM 1202 C ARG A 79 5.058 -13.238 -6.496 1.00 62.11 C ATOM 1203 O ARG A 79 4.081 -13.845 -6.935 1.00 54.33 O ATOM 1204 CB ARG A 79 5.407 -10.766 -6.659 1.00 34.14 C ATOM 1205 CG ARG A 79 4.902 -10.831 -8.092 1.00 33.33 C ATOM 1206 CD ARG A 79 5.213 -9.550 -8.849 1.00 43.34 C ATOM 1207 NE ARG A 79 4.837 -9.643 -10.258 1.00 64.15 N ATOM 1208 CZ ARG A 79 4.800 -8.599 -11.078 1.00 42.12 C ATOM 1209 NH1 ARG A 79 5.114 -7.390 -10.634 1.00 41.13 N ATOM 1210 NH2 ARG A 79 4.448 -8.764 -12.348 1.00 72.00 N ATOM 0 H ARG A 79 6.324 -11.205 -4.414 1.00 42.12 H new ATOM 0 HA ARG A 79 3.830 -11.750 -5.578 1.00 32.51 H new ATOM 0 HB2 ARG A 79 5.109 -9.814 -6.220 1.00 34.14 H new ATOM 0 HB3 ARG A 79 6.497 -10.787 -6.665 1.00 34.14 H new ATOM 0 HG2 ARG A 79 5.361 -11.678 -8.603 1.00 33.33 H new ATOM 0 HG3 ARG A 79 3.826 -11.003 -8.093 1.00 33.33 H new ATOM 0 HD2 ARG A 79 4.683 -8.717 -8.386 1.00 43.34 H new ATOM 0 HD3 ARG A 79 6.278 -9.332 -8.771 1.00 43.34 H new ATOM 0 HE ARG A 79 4.590 -10.559 -10.632 1.00 64.15 H new ATOM 0 HH11 ARG A 79 5.385 -7.259 -9.659 1.00 41.13 H new ATOM 0 HH12 ARG A 79 5.084 -6.591 -11.267 1.00 41.13 H new ATOM 0 HH21 ARG A 79 4.206 -9.693 -12.694 1.00 72.00 H new ATOM 0 HH22 ARG A 79 4.420 -7.962 -12.978 1.00 72.00 H new ATOM 1224 N TYR A 80 6.302 -13.689 -6.615 1.00 65.34 N ATOM 1225 CA TYR A 80 6.598 -14.950 -7.286 1.00 50.23 C ATOM 1226 C TYR A 80 5.854 -16.106 -6.624 1.00 33.42 C ATOM 1227 O TYR A 80 5.319 -16.984 -7.302 1.00 3.40 O ATOM 1228 CB TYR A 80 8.103 -15.219 -7.268 1.00 55.12 C ATOM 1229 CG TYR A 80 8.477 -16.599 -7.761 1.00 74.13 C ATOM 1230 CD1 TYR A 80 8.496 -17.686 -6.895 1.00 52.21 C ATOM 1231 CD2 TYR A 80 8.810 -16.817 -9.092 1.00 64.12 C ATOM 1232 CE1 TYR A 80 8.837 -18.948 -7.340 1.00 73.04 C ATOM 1233 CE2 TYR A 80 9.152 -18.076 -9.547 1.00 4.04 C ATOM 1234 CZ TYR A 80 9.164 -19.138 -8.667 1.00 53.44 C ATOM 1235 OH TYR A 80 9.504 -20.394 -9.115 1.00 12.11 O ATOM 0 H TYR A 80 7.122 -13.200 -6.256 1.00 65.34 H new ATOM 0 HA TYR A 80 6.263 -14.871 -8.320 1.00 50.23 H new ATOM 0 HB2 TYR A 80 8.604 -14.474 -7.885 1.00 55.12 H new ATOM 0 HB3 TYR A 80 8.474 -15.093 -6.251 1.00 55.12 H new ATOM 0 HD1 TYR A 80 8.240 -17.541 -5.856 1.00 52.21 H new ATOM 0 HD2 TYR A 80 8.801 -15.987 -9.784 1.00 64.12 H new ATOM 0 HE1 TYR A 80 8.848 -19.782 -6.653 1.00 73.04 H new ATOM 0 HE2 TYR A 80 9.408 -18.228 -10.585 1.00 4.04 H new ATOM 0 HH TYR A 80 9.705 -20.356 -10.073 1.00 12.11 H new ATOM 1245 N ILE A 81 5.826 -16.099 -5.295 1.00 75.45 N ATOM 1246 CA ILE A 81 5.148 -17.145 -4.540 1.00 44.21 C ATOM 1247 C ILE A 81 3.634 -17.034 -4.686 1.00 45.44 C ATOM 1248 O ILE A 81 2.929 -18.042 -4.735 1.00 63.42 O ATOM 1249 CB ILE A 81 5.514 -17.088 -3.045 1.00 32.32 C ATOM 1250 CG1 ILE A 81 7.022 -17.265 -2.860 1.00 21.53 C ATOM 1251 CG2 ILE A 81 4.751 -18.154 -2.273 1.00 70.44 C ATOM 1252 CD1 ILE A 81 7.479 -17.099 -1.428 1.00 20.45 C ATOM 0 H ILE A 81 6.265 -15.380 -4.719 1.00 75.45 H new ATOM 0 HA ILE A 81 5.482 -18.098 -4.951 1.00 44.21 H new ATOM 0 HB ILE A 81 5.232 -16.111 -2.653 1.00 32.32 H new ATOM 0 HG12 ILE A 81 7.309 -18.256 -3.212 1.00 21.53 H new ATOM 0 HG13 ILE A 81 7.544 -16.541 -3.486 1.00 21.53 H new ATOM 0 HG21 ILE A 81 5.020 -18.102 -1.218 1.00 70.44 H new ATOM 0 HG22 ILE A 81 3.680 -17.986 -2.383 1.00 70.44 H new ATOM 0 HG23 ILE A 81 5.006 -19.139 -2.664 1.00 70.44 H new ATOM 0 HD11 ILE A 81 8.559 -17.238 -1.372 1.00 20.45 H new ATOM 0 HD12 ILE A 81 7.223 -16.099 -1.078 1.00 20.45 H new ATOM 0 HD13 ILE A 81 6.985 -17.840 -0.800 1.00 20.45 H new ATOM 1264 N ALA A 82 3.140 -15.802 -4.757 1.00 24.44 N ATOM 1265 CA ALA A 82 1.710 -15.559 -4.902 1.00 74.32 C ATOM 1266 C ALA A 82 1.216 -15.990 -6.279 1.00 1.20 C ATOM 1267 O ALA A 82 0.189 -16.657 -6.400 1.00 72.43 O ATOM 1268 CB ALA A 82 1.398 -14.090 -4.662 1.00 50.42 C ATOM 0 H ALA A 82 3.709 -14.957 -4.716 1.00 24.44 H new ATOM 0 HA ALA A 82 1.187 -16.157 -4.155 1.00 74.32 H new ATOM 0 HB1 ALA A 82 0.327 -13.923 -4.773 1.00 50.42 H new ATOM 0 HB2 ALA A 82 1.706 -13.813 -3.654 1.00 50.42 H new ATOM 0 HB3 ALA A 82 1.938 -13.480 -5.387 1.00 50.42 H new ATOM 1274 N SER A 83 1.954 -15.603 -7.314 1.00 34.12 N ATOM 1275 CA SER A 83 1.589 -15.944 -8.684 1.00 43.14 C ATOM 1276 C SER A 83 1.408 -17.451 -8.837 1.00 54.13 C ATOM 1277 O SER A 83 0.653 -17.914 -9.693 1.00 22.31 O ATOM 1278 CB SER A 83 2.657 -15.445 -9.659 1.00 1.43 C ATOM 1279 OG SER A 83 3.926 -15.369 -9.031 1.00 10.43 O ATOM 0 H SER A 83 2.809 -15.053 -7.230 1.00 34.12 H new ATOM 0 HA SER A 83 0.642 -15.456 -8.914 1.00 43.14 H new ATOM 0 HB2 SER A 83 2.712 -16.115 -10.517 1.00 1.43 H new ATOM 0 HB3 SER A 83 2.376 -14.463 -10.039 1.00 1.43 H new ATOM 0 HG SER A 83 3.988 -14.537 -8.518 1.00 10.43 H new ATOM 1285 N LYS A 84 2.107 -18.213 -8.002 1.00 42.25 N ATOM 1286 CA LYS A 84 2.024 -19.668 -8.043 1.00 0.24 C ATOM 1287 C LYS A 84 0.774 -20.162 -7.321 1.00 65.15 C ATOM 1288 O LYS A 84 -0.060 -20.853 -7.906 1.00 0.04 O ATOM 1289 CB LYS A 84 3.271 -20.288 -7.408 1.00 70.24 C ATOM 1290 CG LYS A 84 4.567 -19.876 -8.086 1.00 52.41 C ATOM 1291 CD LYS A 84 4.868 -20.751 -9.292 1.00 32.14 C ATOM 1292 CE LYS A 84 6.361 -20.813 -9.574 1.00 24.30 C ATOM 1293 NZ LYS A 84 6.731 -22.041 -10.332 1.00 51.04 N ATOM 0 H LYS A 84 2.737 -17.847 -7.289 1.00 42.25 H new ATOM 0 HA LYS A 84 1.964 -19.975 -9.087 1.00 0.24 H new ATOM 0 HB2 LYS A 84 3.314 -20.002 -6.357 1.00 70.24 H new ATOM 0 HB3 LYS A 84 3.183 -21.374 -7.440 1.00 70.24 H new ATOM 0 HG2 LYS A 84 4.500 -18.834 -8.399 1.00 52.41 H new ATOM 0 HG3 LYS A 84 5.389 -19.942 -7.373 1.00 52.41 H new ATOM 0 HD2 LYS A 84 4.487 -21.757 -9.117 1.00 32.14 H new ATOM 0 HD3 LYS A 84 4.347 -20.360 -10.166 1.00 32.14 H new ATOM 0 HE2 LYS A 84 6.661 -19.932 -10.141 1.00 24.30 H new ATOM 0 HE3 LYS A 84 6.910 -20.788 -8.633 1.00 24.30 H new ATOM 0 HZ1 LYS A 84 7.765 -22.152 -10.329 1.00 51.04 H new ATOM 0 HZ2 LYS A 84 6.292 -22.871 -9.884 1.00 51.04 H new ATOM 0 HZ3 LYS A 84 6.394 -21.958 -11.313 1.00 51.04 H new