USER MOD reduce.3.24.130724 H: found=0, std=0, add=877, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 877 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 30 LYS NZ :NH3+ -175:sc= -1.61! (180deg=-2.61!) USER MOD Set 1.2: A 87 TYR OH : rot 107:sc= 0.678 USER MOD Set 2.1: A 63 TYR OH : rot 118:sc= 1.44 USER MOD Set 2.2: A 65 CYS SG : rot 180:sc= 1.09 USER MOD Set 2.3: A 68 LYS NZ :NH3+ -166:sc= 0.00738 (180deg=0) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 MET CE :methyl -160:sc= -2.86 (180deg=-3.91!) USER MOD Single : A 10 ASN : amide:sc= -1.61 K(o=-1.6,f=-2.6!) USER MOD Single : A 11 CYS SG : rot -80:sc= -0.249 USER MOD Single : A 16 ASN : amide:sc= -0.285 X(o=-0.29,f=-0.36) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 THR OG1 : rot -156:sc= -5.04! USER MOD Single : A 25 LYS NZ :NH3+ -154:sc= 1.02 (180deg=0.551) USER MOD Single : A 33 ASN : amide:sc= -0.126 K(o=-0.13,f=-2.2!) USER MOD Single : A 34 THR OG1 : rot 180:sc= -0.539 USER MOD Single : A 35 LYS NZ :NH3+ 169:sc= -0.0264 (180deg=-0.205) USER MOD Single : A 40 LYS NZ :NH3+ 147:sc= -0.531 (180deg=-1.42!) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 ASN : amide:sc= -0.213 K(o=-0.21,f=-1!) USER MOD Single : A 56 ASN : amide:sc= -0.0234 K(o=-0.023,f=-0.99) USER MOD Single : A 58 CYS SG : rot 179:sc= -1.37 USER MOD Single : A 67 ASN : amide:sc= -0.101 K(o=-0.1,f=-1.4!) USER MOD Single : A 70 GLN : amide:sc= -0.0869 X(o=-0.087,f=-0.075) USER MOD Single : A 75 CYS SG : rot 180:sc= 0.0329 USER MOD Single : A 78 ASN : amide:sc= -0.0687 X(o=-0.069,f=-0.026) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 86 THR OG1 : rot 88:sc= 0.0225 USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 90 SER OG : rot 137:sc= -0.0908 USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 LYS NZ :NH3+ 158:sc= -0.0848 (180deg=-0.474) USER MOD Single : A 102 THR OG1 : rot 180:sc= 0.129 USER MOD Single : A 109 HIS : no HD1:sc= -2.02 X(o=-2,f=-1.5) USER MOD Single : A 111 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 18 N ALA A 2 3.368 -1.343 -1.187 1.00 14.43 N ATOM 19 CA ALA A 2 3.940 -2.599 -1.653 1.00 23.44 C ATOM 20 C ALA A 2 3.285 -3.791 -0.962 1.00 51.31 C ATOM 21 O ALA A 2 2.436 -4.467 -1.543 1.00 25.40 O ATOM 22 CB ALA A 2 5.444 -2.613 -1.419 1.00 33.01 C ATOM 0 HA ALA A 2 3.748 -2.682 -2.723 1.00 23.44 H new ATOM 0 HB1 ALA A 2 5.858 -3.557 -1.772 1.00 33.01 H new ATOM 0 HB2 ALA A 2 5.905 -1.789 -1.963 1.00 33.01 H new ATOM 0 HB3 ALA A 2 5.648 -2.503 -0.354 1.00 33.01 H new ATOM 28 N SER A 3 3.685 -4.042 0.280 1.00 14.05 N ATOM 29 CA SER A 3 3.139 -5.155 1.049 1.00 50.04 C ATOM 30 C SER A 3 1.996 -4.688 1.945 1.00 42.10 C ATOM 31 O SER A 3 1.517 -3.562 1.823 1.00 51.53 O ATOM 32 CB SER A 3 4.235 -5.803 1.896 1.00 2.05 C ATOM 33 OG SER A 3 4.258 -7.208 1.713 1.00 45.11 O ATOM 0 H SER A 3 4.385 -3.490 0.776 1.00 14.05 H new ATOM 0 HA SER A 3 2.749 -5.892 0.347 1.00 50.04 H new ATOM 0 HB2 SER A 3 5.204 -5.382 1.626 1.00 2.05 H new ATOM 0 HB3 SER A 3 4.069 -5.573 2.948 1.00 2.05 H new ATOM 0 HG SER A 3 4.968 -7.598 2.264 1.00 45.11 H new ATOM 39 N GLY A 4 1.564 -5.564 2.847 1.00 2.24 N ATOM 40 CA GLY A 4 0.481 -5.224 3.752 1.00 62.03 C ATOM 41 C GLY A 4 -0.723 -4.656 3.027 1.00 43.42 C ATOM 42 O GLY A 4 -1.372 -3.733 3.518 1.00 73.02 O ATOM 0 H GLY A 4 1.944 -6.503 2.967 1.00 2.24 H new ATOM 0 HA2 GLY A 4 0.181 -6.114 4.306 1.00 62.03 H new ATOM 0 HA3 GLY A 4 0.837 -4.498 4.483 1.00 62.03 H new ATOM 46 N MET A 5 -1.020 -5.206 1.854 1.00 22.33 N ATOM 47 CA MET A 5 -2.154 -4.747 1.060 1.00 22.44 C ATOM 48 C MET A 5 -3.428 -4.717 1.899 1.00 44.30 C ATOM 49 O MET A 5 -3.623 -5.554 2.779 1.00 53.11 O ATOM 50 CB MET A 5 -2.352 -5.653 -0.156 1.00 61.43 C ATOM 51 CG MET A 5 -1.067 -5.942 -0.915 1.00 43.51 C ATOM 52 SD MET A 5 -0.614 -7.687 -0.878 1.00 55.41 S ATOM 53 CE MET A 5 1.169 -7.572 -0.761 1.00 1.31 C ATOM 0 H MET A 5 -0.491 -5.970 1.432 1.00 22.33 H new ATOM 0 HA MET A 5 -1.941 -3.734 0.719 1.00 22.44 H new ATOM 0 HB2 MET A 5 -2.791 -6.596 0.171 1.00 61.43 H new ATOM 0 HB3 MET A 5 -3.067 -5.187 -0.833 1.00 61.43 H new ATOM 0 HG2 MET A 5 -1.182 -5.623 -1.951 1.00 43.51 H new ATOM 0 HG3 MET A 5 -0.257 -5.351 -0.488 1.00 43.51 H new ATOM 0 HE1 MET A 5 1.616 -8.514 -1.080 1.00 1.31 H new ATOM 0 HE2 MET A 5 1.524 -6.766 -1.403 1.00 1.31 H new ATOM 0 HE3 MET A 5 1.453 -7.367 0.271 1.00 1.31 H new ATOM 63 N GLY A 6 -4.292 -3.745 1.620 1.00 64.20 N ATOM 64 CA GLY A 6 -5.535 -3.624 2.358 1.00 52.00 C ATOM 65 C GLY A 6 -6.741 -4.028 1.533 1.00 41.23 C ATOM 66 O GLY A 6 -7.214 -3.260 0.695 1.00 14.10 O ATOM 0 H GLY A 6 -4.153 -3.040 0.896 1.00 64.20 H new ATOM 0 HA2 GLY A 6 -5.485 -4.246 3.252 1.00 52.00 H new ATOM 0 HA3 GLY A 6 -5.656 -2.594 2.693 1.00 52.00 H new ATOM 70 N VAL A 7 -7.239 -5.238 1.768 1.00 43.33 N ATOM 71 CA VAL A 7 -8.396 -5.743 1.039 1.00 13.13 C ATOM 72 C VAL A 7 -9.681 -5.077 1.519 1.00 30.34 C ATOM 73 O VAL A 7 -10.160 -5.351 2.620 1.00 12.20 O ATOM 74 CB VAL A 7 -8.534 -7.269 1.193 1.00 65.34 C ATOM 75 CG1 VAL A 7 -7.426 -7.984 0.433 1.00 32.14 C ATOM 76 CG2 VAL A 7 -8.521 -7.660 2.663 1.00 53.12 C ATOM 0 H VAL A 7 -6.859 -5.886 2.458 1.00 43.33 H new ATOM 0 HA VAL A 7 -8.237 -5.504 -0.013 1.00 13.13 H new ATOM 0 HB VAL A 7 -9.490 -7.575 0.768 1.00 65.34 H new ATOM 0 HG11 VAL A 7 -7.539 -9.061 0.553 1.00 32.14 H new ATOM 0 HG12 VAL A 7 -7.487 -7.728 -0.625 1.00 32.14 H new ATOM 0 HG13 VAL A 7 -6.457 -7.675 0.826 1.00 32.14 H new ATOM 0 HG21 VAL A 7 -8.620 -8.742 2.753 1.00 53.12 H new ATOM 0 HG22 VAL A 7 -7.582 -7.342 3.116 1.00 53.12 H new ATOM 0 HG23 VAL A 7 -9.353 -7.176 3.176 1.00 53.12 H new ATOM 86 N ASP A 8 -10.234 -4.203 0.687 1.00 54.33 N ATOM 87 CA ASP A 8 -11.466 -3.498 1.025 1.00 23.21 C ATOM 88 C ASP A 8 -12.667 -4.146 0.344 1.00 32.22 C ATOM 89 O ASP A 8 -12.512 -4.958 -0.568 1.00 11.33 O ATOM 90 CB ASP A 8 -11.365 -2.027 0.618 1.00 32.33 C ATOM 91 CG ASP A 8 -12.246 -1.131 1.466 1.00 3.43 C ATOM 92 OD1 ASP A 8 -12.427 -1.438 2.663 1.00 42.31 O ATOM 93 OD2 ASP A 8 -12.755 -0.122 0.933 1.00 25.20 O ATOM 0 H ASP A 8 -9.849 -3.965 -0.227 1.00 54.33 H new ATOM 0 HA ASP A 8 -11.606 -3.559 2.104 1.00 23.21 H new ATOM 0 HB2 ASP A 8 -10.329 -1.699 0.704 1.00 32.33 H new ATOM 0 HB3 ASP A 8 -11.647 -1.923 -0.430 1.00 32.33 H new ATOM 98 N GLU A 9 -13.864 -3.782 0.795 1.00 62.33 N ATOM 99 CA GLU A 9 -15.091 -4.330 0.229 1.00 32.44 C ATOM 100 C GLU A 9 -15.195 -4.011 -1.259 1.00 42.41 C ATOM 101 O GLU A 9 -15.950 -4.649 -1.991 1.00 14.24 O ATOM 102 CB GLU A 9 -16.311 -3.775 0.968 1.00 72.54 C ATOM 103 CG GLU A 9 -16.273 -2.269 1.159 1.00 13.41 C ATOM 104 CD GLU A 9 -17.658 -1.657 1.246 1.00 41.42 C ATOM 105 OE1 GLU A 9 -18.242 -1.356 0.184 1.00 42.21 O ATOM 106 OE2 GLU A 9 -18.158 -1.479 2.377 1.00 44.24 O ATOM 0 H GLU A 9 -14.010 -3.111 1.549 1.00 62.33 H new ATOM 0 HA GLU A 9 -15.064 -5.413 0.348 1.00 32.44 H new ATOM 0 HB2 GLU A 9 -17.212 -4.040 0.415 1.00 72.54 H new ATOM 0 HB3 GLU A 9 -16.383 -4.255 1.944 1.00 72.54 H new ATOM 0 HG2 GLU A 9 -15.719 -2.036 2.068 1.00 13.41 H new ATOM 0 HG3 GLU A 9 -15.731 -1.815 0.330 1.00 13.41 H new ATOM 113 N ASN A 10 -14.430 -3.017 -1.699 1.00 41.25 N ATOM 114 CA ASN A 10 -14.436 -2.611 -3.100 1.00 41.31 C ATOM 115 C ASN A 10 -13.798 -3.681 -3.980 1.00 23.42 C ATOM 116 O ASN A 10 -14.261 -3.944 -5.090 1.00 70.23 O ATOM 117 CB ASN A 10 -13.693 -1.284 -3.271 1.00 65.43 C ATOM 118 CG ASN A 10 -14.442 -0.118 -2.656 1.00 63.12 C ATOM 119 OD1 ASN A 10 -13.878 0.660 -1.887 1.00 24.24 O ATOM 120 ND2 ASN A 10 -15.720 0.008 -2.994 1.00 2.04 N ATOM 0 H ASN A 10 -13.799 -2.478 -1.106 1.00 41.25 H new ATOM 0 HA ASN A 10 -15.473 -2.482 -3.410 1.00 41.31 H new ATOM 0 HB2 ASN A 10 -12.707 -1.361 -2.813 1.00 65.43 H new ATOM 0 HB3 ASN A 10 -13.537 -1.092 -4.333 1.00 65.43 H new ATOM 0 HD21 ASN A 10 -16.275 0.774 -2.612 1.00 2.04 H new ATOM 0 HD22 ASN A 10 -16.146 -0.661 -3.635 1.00 2.04 H new ATOM 127 N CYS A 11 -12.733 -4.296 -3.476 1.00 14.12 N ATOM 128 CA CYS A 11 -12.031 -5.339 -4.216 1.00 1.45 C ATOM 129 C CYS A 11 -13.010 -6.377 -4.753 1.00 63.41 C ATOM 130 O CYS A 11 -12.749 -7.025 -5.767 1.00 32.20 O ATOM 131 CB CYS A 11 -10.991 -6.015 -3.321 1.00 41.21 C ATOM 132 SG CYS A 11 -11.663 -7.315 -2.260 1.00 74.21 S ATOM 0 H CYS A 11 -12.337 -4.090 -2.559 1.00 14.12 H new ATOM 0 HA CYS A 11 -11.525 -4.873 -5.061 1.00 1.45 H new ATOM 0 HB2 CYS A 11 -10.209 -6.442 -3.949 1.00 41.21 H new ATOM 0 HB3 CYS A 11 -10.519 -5.258 -2.695 1.00 41.21 H new ATOM 0 HG CYS A 11 -12.228 -6.777 -1.220 1.00 74.21 H new ATOM 138 N VAL A 12 -14.137 -6.532 -4.066 1.00 21.34 N ATOM 139 CA VAL A 12 -15.155 -7.493 -4.473 1.00 71.03 C ATOM 140 C VAL A 12 -16.126 -6.874 -5.473 1.00 22.13 C ATOM 141 O VAL A 12 -16.604 -7.546 -6.386 1.00 54.30 O ATOM 142 CB VAL A 12 -15.948 -8.018 -3.262 1.00 30.41 C ATOM 143 CG1 VAL A 12 -16.849 -9.173 -3.673 1.00 40.13 C ATOM 144 CG2 VAL A 12 -15.001 -8.441 -2.149 1.00 14.45 C ATOM 0 H VAL A 12 -14.368 -6.004 -3.224 1.00 21.34 H new ATOM 0 HA VAL A 12 -14.633 -8.326 -4.945 1.00 71.03 H new ATOM 0 HB VAL A 12 -16.579 -7.213 -2.886 1.00 30.41 H new ATOM 0 HG11 VAL A 12 -17.401 -9.531 -2.804 1.00 40.13 H new ATOM 0 HG12 VAL A 12 -17.551 -8.834 -4.435 1.00 40.13 H new ATOM 0 HG13 VAL A 12 -16.241 -9.983 -4.075 1.00 40.13 H new ATOM 0 HG21 VAL A 12 -15.578 -8.809 -1.301 1.00 14.45 H new ATOM 0 HG22 VAL A 12 -14.344 -9.231 -2.511 1.00 14.45 H new ATOM 0 HG23 VAL A 12 -14.402 -7.586 -1.836 1.00 14.45 H new ATOM 154 N ALA A 13 -16.412 -5.589 -5.293 1.00 41.30 N ATOM 155 CA ALA A 13 -17.324 -4.878 -6.181 1.00 2.25 C ATOM 156 C ALA A 13 -16.916 -5.051 -7.640 1.00 34.23 C ATOM 157 O ALA A 13 -17.743 -4.926 -8.544 1.00 23.33 O ATOM 158 CB ALA A 13 -17.372 -3.401 -5.816 1.00 25.53 C ATOM 0 H ALA A 13 -16.026 -5.019 -4.541 1.00 41.30 H new ATOM 0 HA ALA A 13 -18.319 -5.305 -6.056 1.00 2.25 H new ATOM 0 HB1 ALA A 13 -18.057 -2.882 -6.487 1.00 25.53 H new ATOM 0 HB2 ALA A 13 -17.718 -3.291 -4.788 1.00 25.53 H new ATOM 0 HB3 ALA A 13 -16.375 -2.970 -5.911 1.00 25.53 H new ATOM 164 N ARG A 14 -15.638 -5.339 -7.862 1.00 51.21 N ATOM 165 CA ARG A 14 -15.121 -5.527 -9.212 1.00 71.32 C ATOM 166 C ARG A 14 -15.517 -6.895 -9.760 1.00 31.30 C ATOM 167 O ARG A 14 -16.173 -6.994 -10.797 1.00 71.22 O ATOM 168 CB ARG A 14 -13.598 -5.383 -9.223 1.00 31.22 C ATOM 169 CG ARG A 14 -13.105 -4.085 -8.604 1.00 62.51 C ATOM 170 CD ARG A 14 -12.138 -4.346 -7.460 1.00 30.14 C ATOM 171 NE ARG A 14 -11.083 -5.283 -7.837 1.00 42.40 N ATOM 172 CZ ARG A 14 -9.879 -5.298 -7.276 1.00 43.24 C ATOM 173 NH1 ARG A 14 -9.579 -4.432 -6.318 1.00 60.10 N ATOM 174 NH2 ARG A 14 -8.972 -6.181 -7.674 1.00 45.20 N ATOM 0 H ARG A 14 -14.942 -5.447 -7.125 1.00 51.21 H new ATOM 0 HA ARG A 14 -15.556 -4.759 -9.851 1.00 71.32 H new ATOM 0 HB2 ARG A 14 -13.158 -6.223 -8.685 1.00 31.22 H new ATOM 0 HB3 ARG A 14 -13.243 -5.443 -10.252 1.00 31.22 H new ATOM 0 HG2 ARG A 14 -12.614 -3.480 -9.366 1.00 62.51 H new ATOM 0 HG3 ARG A 14 -13.955 -3.509 -8.239 1.00 62.51 H new ATOM 0 HD2 ARG A 14 -11.690 -3.404 -7.142 1.00 30.14 H new ATOM 0 HD3 ARG A 14 -12.686 -4.742 -6.605 1.00 30.14 H new ATOM 0 HE ARG A 14 -11.282 -5.963 -8.571 1.00 42.40 H new ATOM 0 HH11 ARG A 14 -10.274 -3.752 -6.010 1.00 60.10 H new ATOM 0 HH12 ARG A 14 -8.654 -4.446 -5.889 1.00 60.10 H new ATOM 0 HH21 ARG A 14 -9.199 -6.849 -8.411 1.00 45.20 H new ATOM 0 HH22 ARG A 14 -8.048 -6.192 -7.243 1.00 45.20 H new ATOM 188 N PHE A 15 -15.114 -7.948 -9.056 1.00 63.04 N ATOM 189 CA PHE A 15 -15.425 -9.311 -9.473 1.00 1.53 C ATOM 190 C PHE A 15 -16.933 -9.543 -9.491 1.00 1.41 C ATOM 191 O PHE A 15 -17.459 -10.204 -10.385 1.00 21.22 O ATOM 192 CB PHE A 15 -14.754 -10.318 -8.537 1.00 64.10 C ATOM 193 CG PHE A 15 -15.218 -11.731 -8.746 1.00 25.31 C ATOM 194 CD1 PHE A 15 -15.406 -12.231 -10.024 1.00 43.04 C ATOM 195 CD2 PHE A 15 -15.466 -12.560 -7.663 1.00 41.05 C ATOM 196 CE1 PHE A 15 -15.832 -13.531 -10.220 1.00 72.11 C ATOM 197 CE2 PHE A 15 -15.892 -13.861 -7.853 1.00 50.00 C ATOM 198 CZ PHE A 15 -16.077 -14.347 -9.133 1.00 4.22 C ATOM 0 H PHE A 15 -14.572 -7.884 -8.195 1.00 63.04 H new ATOM 0 HA PHE A 15 -15.041 -9.452 -10.483 1.00 1.53 H new ATOM 0 HB2 PHE A 15 -13.675 -10.273 -8.682 1.00 64.10 H new ATOM 0 HB3 PHE A 15 -14.950 -10.029 -7.504 1.00 64.10 H new ATOM 0 HD1 PHE A 15 -15.217 -11.597 -10.878 1.00 43.04 H new ATOM 0 HD2 PHE A 15 -15.325 -12.185 -6.660 1.00 41.05 H new ATOM 0 HE1 PHE A 15 -15.973 -13.908 -11.222 1.00 72.11 H new ATOM 0 HE2 PHE A 15 -16.080 -14.498 -7.001 1.00 50.00 H new ATOM 0 HZ PHE A 15 -16.412 -15.363 -9.283 1.00 4.22 H new ATOM 208 N ASN A 16 -17.622 -8.993 -8.496 1.00 71.31 N ATOM 209 CA ASN A 16 -19.070 -9.141 -8.396 1.00 44.03 C ATOM 210 C ASN A 16 -19.772 -8.384 -9.519 1.00 73.02 C ATOM 211 O ASN A 16 -20.969 -8.561 -9.745 1.00 41.53 O ATOM 212 CB ASN A 16 -19.562 -8.635 -7.039 1.00 34.31 C ATOM 213 CG ASN A 16 -21.075 -8.645 -6.933 1.00 31.12 C ATOM 214 OD1 ASN A 16 -21.680 -9.671 -6.621 1.00 20.02 O ATOM 215 ND2 ASN A 16 -21.694 -7.499 -7.193 1.00 22.22 N ATOM 0 H ASN A 16 -17.202 -8.441 -7.748 1.00 71.31 H new ATOM 0 HA ASN A 16 -19.310 -10.200 -8.490 1.00 44.03 H new ATOM 0 HB2 ASN A 16 -19.141 -9.256 -6.248 1.00 34.31 H new ATOM 0 HB3 ASN A 16 -19.196 -7.621 -6.878 1.00 34.31 H new ATOM 0 HD21 ASN A 16 -22.711 -7.445 -7.138 1.00 22.22 H new ATOM 0 HD22 ASN A 16 -21.152 -6.673 -7.448 1.00 22.22 H new ATOM 222 N GLU A 17 -19.019 -7.541 -10.219 1.00 72.53 N ATOM 223 CA GLU A 17 -19.570 -6.758 -11.318 1.00 55.25 C ATOM 224 C GLU A 17 -19.556 -7.558 -12.618 1.00 1.31 C ATOM 225 O GLU A 17 -20.600 -7.796 -13.226 1.00 15.52 O ATOM 226 CB GLU A 17 -18.779 -5.460 -11.496 1.00 60.44 C ATOM 227 CG GLU A 17 -19.455 -4.246 -10.883 1.00 54.24 C ATOM 228 CD GLU A 17 -20.515 -4.620 -9.866 1.00 15.12 C ATOM 229 OE1 GLU A 17 -20.190 -5.364 -8.917 1.00 3.42 O ATOM 230 OE2 GLU A 17 -21.670 -4.170 -10.018 1.00 52.22 O ATOM 0 H GLU A 17 -18.027 -7.383 -10.044 1.00 72.53 H new ATOM 0 HA GLU A 17 -20.604 -6.514 -11.073 1.00 55.25 H new ATOM 0 HB2 GLU A 17 -17.793 -5.581 -11.048 1.00 60.44 H new ATOM 0 HB3 GLU A 17 -18.626 -5.281 -12.560 1.00 60.44 H new ATOM 0 HG2 GLU A 17 -18.703 -3.619 -10.404 1.00 54.24 H new ATOM 0 HG3 GLU A 17 -19.910 -3.650 -11.674 1.00 54.24 H new ATOM 237 N LEU A 18 -18.365 -7.970 -13.039 1.00 11.35 N ATOM 238 CA LEU A 18 -18.213 -8.743 -14.266 1.00 43.33 C ATOM 239 C LEU A 18 -18.856 -10.119 -14.127 1.00 12.42 C ATOM 240 O LEU A 18 -19.056 -10.826 -15.115 1.00 13.43 O ATOM 241 CB LEU A 18 -16.731 -8.893 -14.617 1.00 74.10 C ATOM 242 CG LEU A 18 -15.799 -9.246 -13.457 1.00 54.02 C ATOM 243 CD1 LEU A 18 -15.267 -10.662 -13.612 1.00 71.11 C ATOM 244 CD2 LEU A 18 -14.653 -8.249 -13.372 1.00 64.44 C ATOM 0 H LEU A 18 -17.491 -7.781 -12.548 1.00 11.35 H new ATOM 0 HA LEU A 18 -18.718 -8.206 -15.069 1.00 43.33 H new ATOM 0 HB2 LEU A 18 -16.635 -9.664 -15.381 1.00 74.10 H new ATOM 0 HB3 LEU A 18 -16.387 -7.959 -15.062 1.00 74.10 H new ATOM 0 HG LEU A 18 -16.368 -9.194 -12.529 1.00 54.02 H new ATOM 0 HD11 LEU A 18 -14.606 -10.896 -12.778 1.00 71.11 H new ATOM 0 HD12 LEU A 18 -16.100 -11.365 -13.622 1.00 71.11 H new ATOM 0 HD13 LEU A 18 -14.713 -10.742 -14.547 1.00 71.11 H new ATOM 0 HD21 LEU A 18 -14.000 -8.515 -12.541 1.00 64.44 H new ATOM 0 HD22 LEU A 18 -14.084 -8.269 -14.302 1.00 64.44 H new ATOM 0 HD23 LEU A 18 -15.053 -7.248 -13.212 1.00 64.44 H new ATOM 256 N LYS A 19 -19.181 -10.492 -12.894 1.00 25.13 N ATOM 257 CA LYS A 19 -19.805 -11.782 -12.624 1.00 11.44 C ATOM 258 C LYS A 19 -21.247 -11.803 -13.121 1.00 41.30 C ATOM 259 O LYS A 19 -21.745 -12.838 -13.563 1.00 74.13 O ATOM 260 CB LYS A 19 -19.767 -12.086 -11.124 1.00 52.22 C ATOM 261 CG LYS A 19 -20.444 -13.393 -10.752 1.00 35.25 C ATOM 262 CD LYS A 19 -21.771 -13.154 -10.050 1.00 50.12 C ATOM 263 CE LYS A 19 -22.134 -14.313 -9.135 1.00 14.14 C ATOM 264 NZ LYS A 19 -23.105 -13.905 -8.081 1.00 41.55 N ATOM 0 H LYS A 19 -19.023 -9.919 -12.065 1.00 25.13 H new ATOM 0 HA LYS A 19 -19.244 -12.548 -13.158 1.00 11.44 H new ATOM 0 HB2 LYS A 19 -18.729 -12.118 -10.794 1.00 52.22 H new ATOM 0 HB3 LYS A 19 -20.248 -11.271 -10.584 1.00 52.22 H new ATOM 0 HG2 LYS A 19 -20.609 -13.987 -11.651 1.00 35.25 H new ATOM 0 HG3 LYS A 19 -19.787 -13.972 -10.103 1.00 35.25 H new ATOM 0 HD2 LYS A 19 -21.716 -12.234 -9.469 1.00 50.12 H new ATOM 0 HD3 LYS A 19 -22.557 -13.015 -10.793 1.00 50.12 H new ATOM 0 HE2 LYS A 19 -22.560 -15.123 -9.727 1.00 14.14 H new ATOM 0 HE3 LYS A 19 -21.230 -14.702 -8.665 1.00 14.14 H new ATOM 0 HZ1 LYS A 19 -23.327 -14.723 -7.478 1.00 41.55 H new ATOM 0 HZ2 LYS A 19 -22.689 -13.149 -7.500 1.00 41.55 H new ATOM 0 HZ3 LYS A 19 -23.977 -13.558 -8.528 1.00 41.55 H new ATOM 278 N ILE A 20 -21.910 -10.654 -13.047 1.00 13.11 N ATOM 279 CA ILE A 20 -23.294 -10.541 -13.492 1.00 64.13 C ATOM 280 C ILE A 20 -23.374 -9.935 -14.889 1.00 43.22 C ATOM 281 O ILE A 20 -24.149 -10.389 -15.731 1.00 21.33 O ATOM 282 CB ILE A 20 -24.129 -9.683 -12.524 1.00 3.12 C ATOM 283 CG1 ILE A 20 -25.563 -9.545 -13.037 1.00 74.14 C ATOM 284 CG2 ILE A 20 -23.491 -8.313 -12.345 1.00 24.42 C ATOM 285 CD1 ILE A 20 -26.264 -10.871 -13.237 1.00 2.03 C ATOM 0 H ILE A 20 -21.512 -9.788 -12.683 1.00 13.11 H new ATOM 0 HA ILE A 20 -23.702 -11.551 -13.512 1.00 64.13 H new ATOM 0 HB ILE A 20 -24.156 -10.179 -11.554 1.00 3.12 H new ATOM 0 HG12 ILE A 20 -26.136 -8.943 -12.332 1.00 74.14 H new ATOM 0 HG13 ILE A 20 -25.551 -9.003 -13.983 1.00 74.14 H new ATOM 0 HG21 ILE A 20 -24.093 -7.718 -11.658 1.00 24.42 H new ATOM 0 HG22 ILE A 20 -22.486 -8.430 -11.939 1.00 24.42 H new ATOM 0 HG23 ILE A 20 -23.436 -7.808 -13.310 1.00 24.42 H new ATOM 0 HD11 ILE A 20 -27.276 -10.696 -13.602 1.00 2.03 H new ATOM 0 HD12 ILE A 20 -25.714 -11.467 -13.965 1.00 2.03 H new ATOM 0 HD13 ILE A 20 -26.308 -11.406 -12.288 1.00 2.03 H new ATOM 297 N ARG A 21 -22.566 -8.907 -15.129 1.00 61.24 N ATOM 298 CA ARG A 21 -22.545 -8.239 -16.425 1.00 3.42 C ATOM 299 C ARG A 21 -21.807 -9.082 -17.460 1.00 63.51 C ATOM 300 O ARG A 21 -22.169 -9.098 -18.637 1.00 20.53 O ATOM 301 CB ARG A 21 -21.881 -6.866 -16.303 1.00 41.33 C ATOM 302 CG ARG A 21 -22.818 -5.707 -16.603 1.00 71.42 C ATOM 303 CD ARG A 21 -23.930 -5.609 -15.571 1.00 12.12 C ATOM 304 NE ARG A 21 -25.242 -5.881 -16.152 1.00 12.12 N ATOM 305 CZ ARG A 21 -26.364 -5.935 -15.442 1.00 25.13 C ATOM 306 NH1 ARG A 21 -26.332 -5.737 -14.131 1.00 54.42 N ATOM 307 NH2 ARG A 21 -27.519 -6.188 -16.043 1.00 12.23 N ATOM 0 H ARG A 21 -21.918 -8.519 -14.444 1.00 61.24 H new ATOM 0 HA ARG A 21 -23.576 -8.110 -16.756 1.00 3.42 H new ATOM 0 HB2 ARG A 21 -21.486 -6.751 -15.293 1.00 41.33 H new ATOM 0 HB3 ARG A 21 -21.031 -6.821 -16.984 1.00 41.33 H new ATOM 0 HG2 ARG A 21 -22.252 -4.775 -16.620 1.00 71.42 H new ATOM 0 HG3 ARG A 21 -23.251 -5.835 -17.595 1.00 71.42 H new ATOM 0 HD2 ARG A 21 -23.738 -6.315 -14.763 1.00 12.12 H new ATOM 0 HD3 ARG A 21 -23.928 -4.612 -15.130 1.00 12.12 H new ATOM 0 HE ARG A 21 -25.300 -6.038 -17.158 1.00 12.12 H new ATOM 0 HH11 ARG A 21 -25.445 -5.543 -13.666 1.00 54.42 H new ATOM 0 HH12 ARG A 21 -27.194 -5.779 -13.588 1.00 54.42 H new ATOM 0 HH21 ARG A 21 -27.547 -6.341 -17.051 1.00 12.23 H new ATOM 0 HH22 ARG A 21 -28.380 -6.229 -15.497 1.00 12.23 H new ATOM 321 N LYS A 22 -20.769 -9.783 -17.014 1.00 52.42 N ATOM 322 CA LYS A 22 -19.980 -10.630 -17.900 1.00 44.31 C ATOM 323 C LYS A 22 -18.895 -9.820 -18.603 1.00 42.10 C ATOM 324 O LYS A 22 -18.835 -9.777 -19.832 1.00 71.04 O ATOM 325 CB LYS A 22 -20.883 -11.300 -18.937 1.00 72.14 C ATOM 326 CG LYS A 22 -22.141 -11.910 -18.344 1.00 74.34 C ATOM 327 CD LYS A 22 -22.333 -13.347 -18.800 1.00 64.12 C ATOM 328 CE LYS A 22 -23.805 -13.687 -18.970 1.00 55.43 C ATOM 329 NZ LYS A 22 -24.081 -15.121 -18.682 1.00 21.30 N ATOM 0 H LYS A 22 -20.455 -9.781 -16.044 1.00 52.42 H new ATOM 0 HA LYS A 22 -19.500 -11.399 -17.294 1.00 44.31 H new ATOM 0 HB2 LYS A 22 -21.166 -10.564 -19.690 1.00 72.14 H new ATOM 0 HB3 LYS A 22 -20.318 -12.079 -19.449 1.00 72.14 H new ATOM 0 HG2 LYS A 22 -22.084 -11.877 -17.256 1.00 74.34 H new ATOM 0 HG3 LYS A 22 -23.007 -11.316 -18.636 1.00 74.34 H new ATOM 0 HD2 LYS A 22 -21.811 -13.503 -19.744 1.00 64.12 H new ATOM 0 HD3 LYS A 22 -21.884 -14.023 -18.073 1.00 64.12 H new ATOM 0 HE2 LYS A 22 -24.401 -13.062 -18.305 1.00 55.43 H new ATOM 0 HE3 LYS A 22 -24.116 -13.455 -19.989 1.00 55.43 H new ATOM 0 HZ1 LYS A 22 -25.095 -15.312 -18.809 1.00 21.30 H new ATOM 0 HZ2 LYS A 22 -23.532 -15.718 -19.333 1.00 21.30 H new ATOM 0 HZ3 LYS A 22 -23.809 -15.337 -17.702 1.00 21.30 H new ATOM 343 N THR A 23 -18.037 -9.179 -17.815 1.00 65.32 N ATOM 344 CA THR A 23 -16.954 -8.371 -18.362 1.00 23.41 C ATOM 345 C THR A 23 -17.476 -7.046 -18.904 1.00 73.25 C ATOM 346 O THR A 23 -16.833 -6.007 -18.758 1.00 0.20 O ATOM 347 CB THR A 23 -16.210 -9.116 -19.487 1.00 21.14 C ATOM 348 OG1 THR A 23 -14.810 -9.176 -19.192 1.00 61.00 O ATOM 349 CG2 THR A 23 -16.423 -8.426 -20.825 1.00 45.44 C ATOM 0 H THR A 23 -18.071 -9.204 -16.796 1.00 65.32 H new ATOM 0 HA THR A 23 -16.260 -8.177 -17.544 1.00 23.41 H new ATOM 0 HB THR A 23 -16.611 -10.128 -19.550 1.00 21.14 H new ATOM 0 HG1 THR A 23 -14.305 -9.284 -20.025 1.00 61.00 H new ATOM 0 HG21 THR A 23 -15.888 -8.970 -21.604 1.00 45.44 H new ATOM 0 HG22 THR A 23 -17.487 -8.408 -21.060 1.00 45.44 H new ATOM 0 HG23 THR A 23 -16.046 -7.405 -20.772 1.00 45.44 H new ATOM 357 N VAL A 24 -18.648 -7.089 -19.531 1.00 63.34 N ATOM 358 CA VAL A 24 -19.258 -5.891 -20.095 1.00 0.15 C ATOM 359 C VAL A 24 -19.308 -4.765 -19.068 1.00 22.14 C ATOM 360 O VAL A 24 -19.464 -3.596 -19.419 1.00 12.51 O ATOM 361 CB VAL A 24 -20.685 -6.173 -20.601 1.00 11.43 C ATOM 362 CG1 VAL A 24 -20.706 -7.418 -21.474 1.00 0.01 C ATOM 363 CG2 VAL A 24 -21.646 -6.316 -19.431 1.00 15.25 C ATOM 0 H VAL A 24 -19.194 -7.941 -19.661 1.00 63.34 H new ATOM 0 HA VAL A 24 -18.636 -5.585 -20.936 1.00 0.15 H new ATOM 0 HB VAL A 24 -21.010 -5.328 -21.208 1.00 11.43 H new ATOM 0 HG11 VAL A 24 -21.723 -7.601 -21.822 1.00 0.01 H new ATOM 0 HG12 VAL A 24 -20.049 -7.272 -22.332 1.00 0.01 H new ATOM 0 HG13 VAL A 24 -20.361 -8.274 -20.895 1.00 0.01 H new ATOM 0 HG21 VAL A 24 -22.650 -6.515 -19.807 1.00 15.25 H new ATOM 0 HG22 VAL A 24 -21.326 -7.142 -18.796 1.00 15.25 H new ATOM 0 HG23 VAL A 24 -21.652 -5.394 -18.850 1.00 15.25 H new ATOM 373 N LYS A 25 -19.173 -5.126 -17.796 1.00 11.41 N ATOM 374 CA LYS A 25 -19.201 -4.147 -16.716 1.00 4.43 C ATOM 375 C LYS A 25 -17.926 -3.308 -16.708 1.00 72.44 C ATOM 376 O LYS A 25 -17.962 -2.111 -16.426 1.00 3.14 O ATOM 377 CB LYS A 25 -19.369 -4.850 -15.367 1.00 11.42 C ATOM 378 CG LYS A 25 -19.928 -3.950 -14.278 1.00 31.32 C ATOM 379 CD LYS A 25 -21.190 -4.535 -13.665 1.00 3.20 C ATOM 380 CE LYS A 25 -22.095 -3.446 -13.109 1.00 73.43 C ATOM 381 NZ LYS A 25 -23.233 -4.014 -12.333 1.00 43.24 N ATOM 0 H LYS A 25 -19.043 -6.090 -17.488 1.00 11.41 H new ATOM 0 HA LYS A 25 -20.050 -3.484 -16.882 1.00 4.43 H new ATOM 0 HB2 LYS A 25 -20.030 -5.707 -15.493 1.00 11.42 H new ATOM 0 HB3 LYS A 25 -18.402 -5.238 -15.046 1.00 11.42 H new ATOM 0 HG2 LYS A 25 -19.177 -3.808 -13.501 1.00 31.32 H new ATOM 0 HG3 LYS A 25 -20.146 -2.966 -14.694 1.00 31.32 H new ATOM 0 HD2 LYS A 25 -21.730 -5.109 -14.418 1.00 3.20 H new ATOM 0 HD3 LYS A 25 -20.921 -5.228 -12.868 1.00 3.20 H new ATOM 0 HE2 LYS A 25 -21.514 -2.782 -12.469 1.00 73.43 H new ATOM 0 HE3 LYS A 25 -22.481 -2.840 -13.929 1.00 73.43 H new ATOM 0 HZ1 LYS A 25 -24.030 -3.347 -12.347 1.00 43.24 H new ATOM 0 HZ2 LYS A 25 -23.528 -4.915 -12.759 1.00 43.24 H new ATOM 0 HZ3 LYS A 25 -22.936 -4.177 -11.350 1.00 43.24 H new ATOM 395 N TRP A 26 -16.804 -3.945 -17.022 1.00 44.20 N ATOM 396 CA TRP A 26 -15.518 -3.256 -17.053 1.00 31.42 C ATOM 397 C TRP A 26 -15.325 -2.408 -15.801 1.00 22.13 C ATOM 398 O TRP A 26 -15.751 -1.254 -15.750 1.00 50.13 O ATOM 399 CB TRP A 26 -15.417 -2.377 -18.300 1.00 60.12 C ATOM 400 CG TRP A 26 -14.477 -1.221 -18.137 1.00 52.14 C ATOM 401 CD1 TRP A 26 -13.114 -1.276 -18.067 1.00 35.14 C ATOM 402 CD2 TRP A 26 -14.831 0.162 -18.023 1.00 72.42 C ATOM 403 NE1 TRP A 26 -12.600 -0.011 -17.915 1.00 60.02 N ATOM 404 CE2 TRP A 26 -13.632 0.889 -17.887 1.00 35.34 C ATOM 405 CE3 TRP A 26 -16.044 0.856 -18.025 1.00 43.41 C ATOM 406 CZ2 TRP A 26 -13.614 2.274 -17.752 1.00 41.43 C ATOM 407 CZ3 TRP A 26 -16.024 2.232 -17.891 1.00 64.44 C ATOM 408 CH2 TRP A 26 -14.816 2.929 -17.757 1.00 64.03 C ATOM 0 H TRP A 26 -16.758 -4.936 -17.259 1.00 44.20 H new ATOM 0 HA TRP A 26 -14.731 -4.009 -17.084 1.00 31.42 H new ATOM 0 HB2 TRP A 26 -15.088 -2.988 -19.141 1.00 60.12 H new ATOM 0 HB3 TRP A 26 -16.408 -1.998 -18.550 1.00 60.12 H new ATOM 0 HD1 TRP A 26 -12.527 -2.181 -18.123 1.00 35.14 H new ATOM 0 HE1 TRP A 26 -11.610 0.221 -17.836 1.00 60.02 H new ATOM 0 HE3 TRP A 26 -16.980 0.327 -18.129 1.00 43.41 H new ATOM 0 HZ2 TRP A 26 -12.684 2.813 -17.647 1.00 41.43 H new ATOM 0 HZ3 TRP A 26 -16.955 2.779 -17.890 1.00 64.44 H new ATOM 0 HH2 TRP A 26 -14.834 4.004 -17.656 1.00 64.03 H new ATOM 419 N ILE A 27 -14.680 -2.987 -14.793 1.00 52.51 N ATOM 420 CA ILE A 27 -14.430 -2.282 -13.542 1.00 0.21 C ATOM 421 C ILE A 27 -12.949 -1.955 -13.382 1.00 12.31 C ATOM 422 O ILE A 27 -12.091 -2.827 -13.517 1.00 34.41 O ATOM 423 CB ILE A 27 -14.896 -3.107 -12.328 1.00 31.00 C ATOM 424 CG1 ILE A 27 -16.097 -3.977 -12.706 1.00 24.12 C ATOM 425 CG2 ILE A 27 -15.245 -2.189 -11.166 1.00 71.10 C ATOM 426 CD1 ILE A 27 -15.711 -5.336 -13.248 1.00 14.13 C ATOM 0 H ILE A 27 -14.322 -3.942 -14.819 1.00 52.51 H new ATOM 0 HA ILE A 27 -15.002 -1.355 -13.582 1.00 0.21 H new ATOM 0 HB ILE A 27 -14.081 -3.761 -12.017 1.00 31.00 H new ATOM 0 HG12 ILE A 27 -16.729 -4.111 -11.828 1.00 24.12 H new ATOM 0 HG13 ILE A 27 -16.694 -3.453 -13.452 1.00 24.12 H new ATOM 0 HG21 ILE A 27 -15.573 -2.787 -10.316 1.00 71.10 H new ATOM 0 HG22 ILE A 27 -14.367 -1.608 -10.884 1.00 71.10 H new ATOM 0 HG23 ILE A 27 -16.046 -1.513 -11.464 1.00 71.10 H new ATOM 0 HD11 ILE A 27 -16.611 -5.898 -13.495 1.00 14.13 H new ATOM 0 HD12 ILE A 27 -15.104 -5.211 -14.145 1.00 14.13 H new ATOM 0 HD13 ILE A 27 -15.139 -5.879 -12.495 1.00 14.13 H new ATOM 438 N VAL A 28 -12.656 -0.691 -13.091 1.00 61.23 N ATOM 439 CA VAL A 28 -11.279 -0.248 -12.909 1.00 64.53 C ATOM 440 C VAL A 28 -11.004 0.110 -11.453 1.00 74.11 C ATOM 441 O VAL A 28 -11.433 1.158 -10.969 1.00 72.40 O ATOM 442 CB VAL A 28 -10.959 0.970 -13.795 1.00 51.24 C ATOM 443 CG1 VAL A 28 -9.455 1.136 -13.954 1.00 34.21 C ATOM 444 CG2 VAL A 28 -11.635 0.834 -15.152 1.00 3.04 C ATOM 0 H VAL A 28 -13.354 0.044 -12.976 1.00 61.23 H new ATOM 0 HA VAL A 28 -10.638 -1.080 -13.203 1.00 64.53 H new ATOM 0 HB VAL A 28 -11.349 1.864 -13.308 1.00 51.24 H new ATOM 0 HG11 VAL A 28 -9.249 2.002 -14.583 1.00 34.21 H new ATOM 0 HG12 VAL A 28 -9.000 1.283 -12.975 1.00 34.21 H new ATOM 0 HG13 VAL A 28 -9.037 0.243 -14.418 1.00 34.21 H new ATOM 0 HG21 VAL A 28 -11.398 1.703 -15.765 1.00 3.04 H new ATOM 0 HG22 VAL A 28 -11.277 -0.068 -15.648 1.00 3.04 H new ATOM 0 HG23 VAL A 28 -12.715 0.769 -15.016 1.00 3.04 H new ATOM 454 N PHE A 29 -10.287 -0.767 -10.759 1.00 4.22 N ATOM 455 CA PHE A 29 -9.955 -0.543 -9.357 1.00 22.45 C ATOM 456 C PHE A 29 -8.575 0.093 -9.219 1.00 0.42 C ATOM 457 O PHE A 29 -7.739 -0.007 -10.117 1.00 72.33 O ATOM 458 CB PHE A 29 -9.999 -1.863 -8.583 1.00 72.15 C ATOM 459 CG PHE A 29 -9.102 -2.923 -9.155 1.00 63.21 C ATOM 460 CD1 PHE A 29 -9.474 -3.628 -10.289 1.00 14.44 C ATOM 461 CD2 PHE A 29 -7.885 -3.215 -8.559 1.00 53.14 C ATOM 462 CE1 PHE A 29 -8.651 -4.604 -10.816 1.00 63.10 C ATOM 463 CE2 PHE A 29 -7.057 -4.190 -9.083 1.00 32.14 C ATOM 464 CZ PHE A 29 -7.440 -4.885 -10.213 1.00 51.21 C ATOM 0 H PHE A 29 -9.925 -1.639 -11.144 1.00 4.22 H new ATOM 0 HA PHE A 29 -10.694 0.141 -8.940 1.00 22.45 H new ATOM 0 HB2 PHE A 29 -9.714 -1.677 -7.547 1.00 72.15 H new ATOM 0 HB3 PHE A 29 -11.024 -2.234 -8.570 1.00 72.15 H new ATOM 0 HD1 PHE A 29 -10.418 -3.412 -10.766 1.00 14.44 H new ATOM 0 HD2 PHE A 29 -7.580 -2.674 -7.675 1.00 53.14 H new ATOM 0 HE1 PHE A 29 -8.954 -5.147 -11.699 1.00 63.10 H new ATOM 0 HE2 PHE A 29 -6.111 -4.408 -8.609 1.00 32.14 H new ATOM 0 HZ PHE A 29 -6.794 -5.647 -10.625 1.00 51.21 H new ATOM 474 N LYS A 30 -8.343 0.750 -8.087 1.00 54.22 N ATOM 475 CA LYS A 30 -7.066 1.404 -7.829 1.00 61.21 C ATOM 476 C LYS A 30 -6.663 1.253 -6.366 1.00 33.44 C ATOM 477 O LYS A 30 -7.402 1.651 -5.465 1.00 11.22 O ATOM 478 CB LYS A 30 -7.145 2.887 -8.197 1.00 12.35 C ATOM 479 CG LYS A 30 -6.285 3.779 -7.317 1.00 74.51 C ATOM 480 CD LYS A 30 -7.099 4.413 -6.201 1.00 61.24 C ATOM 481 CE LYS A 30 -6.279 4.561 -4.929 1.00 33.33 C ATOM 482 NZ LYS A 30 -5.032 5.340 -5.160 1.00 2.41 N ATOM 0 H LYS A 30 -9.024 0.843 -7.333 1.00 54.22 H new ATOM 0 HA LYS A 30 -6.309 0.923 -8.448 1.00 61.21 H new ATOM 0 HB2 LYS A 30 -6.839 3.012 -9.236 1.00 12.35 H new ATOM 0 HB3 LYS A 30 -8.182 3.215 -8.129 1.00 12.35 H new ATOM 0 HG2 LYS A 30 -5.472 3.193 -6.888 1.00 74.51 H new ATOM 0 HG3 LYS A 30 -5.829 4.560 -7.925 1.00 74.51 H new ATOM 0 HD2 LYS A 30 -7.457 5.392 -6.521 1.00 61.24 H new ATOM 0 HD3 LYS A 30 -7.979 3.803 -5.999 1.00 61.24 H new ATOM 0 HE2 LYS A 30 -6.880 5.055 -4.165 1.00 33.33 H new ATOM 0 HE3 LYS A 30 -6.024 3.573 -4.544 1.00 33.33 H new ATOM 0 HZ1 LYS A 30 -4.461 5.346 -4.291 1.00 2.41 H new ATOM 0 HZ2 LYS A 30 -4.487 4.902 -5.930 1.00 2.41 H new ATOM 0 HZ3 LYS A 30 -5.276 6.317 -5.421 1.00 2.41 H new ATOM 496 N ILE A 31 -5.488 0.676 -6.137 1.00 12.24 N ATOM 497 CA ILE A 31 -4.987 0.476 -4.782 1.00 74.55 C ATOM 498 C ILE A 31 -4.369 1.755 -4.230 1.00 13.24 C ATOM 499 O ILE A 31 -3.537 2.385 -4.881 1.00 52.41 O ATOM 500 CB ILE A 31 -3.939 -0.651 -4.731 1.00 62.43 C ATOM 501 CG1 ILE A 31 -2.659 -0.220 -5.451 1.00 32.12 C ATOM 502 CG2 ILE A 31 -4.498 -1.924 -5.350 1.00 50.44 C ATOM 503 CD1 ILE A 31 -1.558 0.222 -4.513 1.00 13.44 C ATOM 0 H ILE A 31 -4.865 0.339 -6.871 1.00 12.24 H new ATOM 0 HA ILE A 31 -5.842 0.194 -4.167 1.00 74.55 H new ATOM 0 HB ILE A 31 -3.697 -0.854 -3.688 1.00 62.43 H new ATOM 0 HG12 ILE A 31 -2.297 -1.049 -6.058 1.00 32.12 H new ATOM 0 HG13 ILE A 31 -2.893 0.597 -6.134 1.00 32.12 H new ATOM 0 HG21 ILE A 31 -3.745 -2.711 -5.306 1.00 50.44 H new ATOM 0 HG22 ILE A 31 -5.384 -2.238 -4.798 1.00 50.44 H new ATOM 0 HG23 ILE A 31 -4.766 -1.736 -6.390 1.00 50.44 H new ATOM 0 HD11 ILE A 31 -0.682 0.513 -5.092 1.00 13.44 H new ATOM 0 HD12 ILE A 31 -1.902 1.072 -3.923 1.00 13.44 H new ATOM 0 HD13 ILE A 31 -1.296 -0.600 -3.847 1.00 13.44 H new ATOM 515 N GLU A 32 -4.781 2.132 -3.023 1.00 74.21 N ATOM 516 CA GLU A 32 -4.267 3.336 -2.382 1.00 43.34 C ATOM 517 C GLU A 32 -3.153 2.995 -1.397 1.00 64.22 C ATOM 518 O GLU A 32 -2.617 1.888 -1.410 1.00 24.44 O ATOM 519 CB GLU A 32 -5.393 4.077 -1.659 1.00 33.24 C ATOM 520 CG GLU A 32 -5.336 5.586 -1.827 1.00 73.20 C ATOM 521 CD GLU A 32 -6.711 6.209 -1.974 1.00 30.24 C ATOM 522 OE1 GLU A 32 -7.703 5.550 -1.598 1.00 73.33 O ATOM 523 OE2 GLU A 32 -6.795 7.354 -2.463 1.00 42.25 O ATOM 0 H GLU A 32 -5.469 1.621 -2.470 1.00 74.21 H new ATOM 0 HA GLU A 32 -3.857 3.982 -3.158 1.00 43.34 H new ATOM 0 HB2 GLU A 32 -6.352 3.715 -2.030 1.00 33.24 H new ATOM 0 HB3 GLU A 32 -5.351 3.836 -0.597 1.00 33.24 H new ATOM 0 HG2 GLU A 32 -4.833 6.025 -0.966 1.00 73.20 H new ATOM 0 HG3 GLU A 32 -4.736 5.828 -2.704 1.00 73.20 H new ATOM 530 N ASN A 33 -2.809 3.955 -0.545 1.00 13.30 N ATOM 531 CA ASN A 33 -1.758 3.758 0.447 1.00 73.54 C ATOM 532 C ASN A 33 -2.151 2.674 1.447 1.00 41.52 C ATOM 533 O ASN A 33 -2.725 2.962 2.498 1.00 51.13 O ATOM 534 CB ASN A 33 -1.470 5.067 1.183 1.00 12.40 C ATOM 535 CG ASN A 33 -0.860 6.118 0.276 1.00 0.41 C ATOM 536 OD1 ASN A 33 -0.936 6.017 -0.949 1.00 4.25 O ATOM 537 ND2 ASN A 33 -0.251 7.135 0.875 1.00 24.11 N ATOM 0 H ASN A 33 -3.243 4.878 -0.521 1.00 13.30 H new ATOM 0 HA ASN A 33 -0.856 3.437 -0.074 1.00 73.54 H new ATOM 0 HB2 ASN A 33 -2.396 5.452 1.609 1.00 12.40 H new ATOM 0 HB3 ASN A 33 -0.793 4.872 2.015 1.00 12.40 H new ATOM 0 HD21 ASN A 33 0.178 7.873 0.317 1.00 24.11 H new ATOM 0 HD22 ASN A 33 -0.212 7.178 1.893 1.00 24.11 H new ATOM 544 N THR A 34 -1.837 1.426 1.113 1.00 3.43 N ATOM 545 CA THR A 34 -2.157 0.300 1.981 1.00 64.12 C ATOM 546 C THR A 34 -3.662 0.068 2.049 1.00 3.51 C ATOM 547 O THR A 34 -4.233 -0.053 3.133 1.00 54.32 O ATOM 548 CB THR A 34 -1.617 0.518 3.407 1.00 41.20 C ATOM 549 OG1 THR A 34 -0.569 1.494 3.390 1.00 11.03 O ATOM 550 CG2 THR A 34 -1.094 -0.785 3.993 1.00 11.30 C ATOM 0 H THR A 34 -1.361 1.170 0.248 1.00 3.43 H new ATOM 0 HA THR A 34 -1.676 -0.578 1.549 1.00 64.12 H new ATOM 0 HB THR A 34 -2.436 0.876 4.031 1.00 41.20 H new ATOM 0 HG1 THR A 34 -0.232 1.628 4.300 1.00 11.03 H new ATOM 0 HG21 THR A 34 -0.718 -0.606 5.000 1.00 11.30 H new ATOM 0 HG22 THR A 34 -1.901 -1.516 4.032 1.00 11.30 H new ATOM 0 HG23 THR A 34 -0.288 -1.168 3.367 1.00 11.30 H new ATOM 558 N LYS A 35 -4.300 0.007 0.885 1.00 4.32 N ATOM 559 CA LYS A 35 -5.739 -0.212 0.812 1.00 52.13 C ATOM 560 C LYS A 35 -6.190 -0.386 -0.635 1.00 50.41 C ATOM 561 O LYS A 35 -5.473 -0.018 -1.566 1.00 53.15 O ATOM 562 CB LYS A 35 -6.487 0.959 1.453 1.00 35.11 C ATOM 563 CG LYS A 35 -7.974 0.704 1.636 1.00 24.12 C ATOM 564 CD LYS A 35 -8.227 -0.560 2.441 1.00 55.22 C ATOM 565 CE LYS A 35 -7.558 -0.496 3.805 1.00 64.01 C ATOM 566 NZ LYS A 35 -7.990 0.700 4.580 1.00 73.40 N ATOM 0 H LYS A 35 -3.842 0.106 -0.021 1.00 4.32 H new ATOM 0 HA LYS A 35 -5.970 -1.126 1.359 1.00 52.13 H new ATOM 0 HB2 LYS A 35 -6.042 1.176 2.424 1.00 35.11 H new ATOM 0 HB3 LYS A 35 -6.352 1.847 0.835 1.00 35.11 H new ATOM 0 HG2 LYS A 35 -8.431 1.555 2.140 1.00 24.12 H new ATOM 0 HG3 LYS A 35 -8.452 0.617 0.660 1.00 24.12 H new ATOM 0 HD2 LYS A 35 -9.300 -0.703 2.567 1.00 55.22 H new ATOM 0 HD3 LYS A 35 -7.853 -1.424 1.891 1.00 55.22 H new ATOM 0 HE2 LYS A 35 -7.795 -1.399 4.368 1.00 64.01 H new ATOM 0 HE3 LYS A 35 -6.476 -0.475 3.678 1.00 64.01 H new ATOM 0 HZ1 LYS A 35 -7.663 0.613 5.563 1.00 73.40 H new ATOM 0 HZ2 LYS A 35 -7.581 1.556 4.154 1.00 73.40 H new ATOM 0 HZ3 LYS A 35 -9.028 0.767 4.565 1.00 73.40 H new ATOM 580 N ILE A 36 -7.381 -0.946 -0.816 1.00 30.33 N ATOM 581 CA ILE A 36 -7.927 -1.166 -2.149 1.00 53.51 C ATOM 582 C ILE A 36 -9.274 -0.469 -2.313 1.00 32.53 C ATOM 583 O ILE A 36 -10.056 -0.376 -1.366 1.00 43.52 O ATOM 584 CB ILE A 36 -8.098 -2.667 -2.448 1.00 13.25 C ATOM 585 CG1 ILE A 36 -6.736 -3.362 -2.477 1.00 5.25 C ATOM 586 CG2 ILE A 36 -8.828 -2.865 -3.768 1.00 11.53 C ATOM 587 CD1 ILE A 36 -6.774 -4.788 -1.974 1.00 3.25 C ATOM 0 H ILE A 36 -7.986 -1.256 -0.056 1.00 30.33 H new ATOM 0 HA ILE A 36 -7.213 -0.743 -2.856 1.00 53.51 H new ATOM 0 HB ILE A 36 -8.696 -3.114 -1.654 1.00 13.25 H new ATOM 0 HG12 ILE A 36 -6.356 -3.356 -3.499 1.00 5.25 H new ATOM 0 HG13 ILE A 36 -6.033 -2.790 -1.872 1.00 5.25 H new ATOM 0 HG21 ILE A 36 -8.941 -3.931 -3.965 1.00 11.53 H new ATOM 0 HG22 ILE A 36 -9.812 -2.400 -3.713 1.00 11.53 H new ATOM 0 HG23 ILE A 36 -8.255 -2.406 -4.573 1.00 11.53 H new ATOM 0 HD11 ILE A 36 -5.774 -5.218 -2.023 1.00 3.25 H new ATOM 0 HD12 ILE A 36 -7.124 -4.801 -0.942 1.00 3.25 H new ATOM 0 HD13 ILE A 36 -7.452 -5.375 -2.594 1.00 3.25 H new ATOM 599 N VAL A 37 -9.540 0.016 -3.521 1.00 54.02 N ATOM 600 CA VAL A 37 -10.794 0.701 -3.811 1.00 14.24 C ATOM 601 C VAL A 37 -11.121 0.643 -5.299 1.00 15.44 C ATOM 602 O VAL A 37 -10.281 0.269 -6.116 1.00 64.01 O ATOM 603 CB VAL A 37 -10.745 2.174 -3.364 1.00 12.41 C ATOM 604 CG1 VAL A 37 -10.946 2.284 -1.860 1.00 71.51 C ATOM 605 CG2 VAL A 37 -9.430 2.814 -3.782 1.00 62.12 C ATOM 0 H VAL A 37 -8.904 -0.053 -4.315 1.00 54.02 H new ATOM 0 HA VAL A 37 -11.574 0.185 -3.251 1.00 14.24 H new ATOM 0 HB VAL A 37 -11.557 2.711 -3.855 1.00 12.41 H new ATOM 0 HG11 VAL A 37 -10.908 3.332 -1.564 1.00 71.51 H new ATOM 0 HG12 VAL A 37 -11.916 1.866 -1.591 1.00 71.51 H new ATOM 0 HG13 VAL A 37 -10.158 1.733 -1.346 1.00 71.51 H new ATOM 0 HG21 VAL A 37 -9.413 3.855 -3.458 1.00 62.12 H new ATOM 0 HG22 VAL A 37 -8.601 2.277 -3.321 1.00 62.12 H new ATOM 0 HG23 VAL A 37 -9.333 2.770 -4.867 1.00 62.12 H new ATOM 615 N VAL A 38 -12.349 1.017 -5.644 1.00 15.21 N ATOM 616 CA VAL A 38 -12.788 1.010 -7.034 1.00 73.23 C ATOM 617 C VAL A 38 -12.893 2.427 -7.585 1.00 52.51 C ATOM 618 O VAL A 38 -13.297 3.350 -6.878 1.00 20.23 O ATOM 619 CB VAL A 38 -14.151 0.308 -7.189 1.00 42.41 C ATOM 620 CG1 VAL A 38 -15.157 0.872 -6.198 1.00 33.04 C ATOM 621 CG2 VAL A 38 -14.661 0.446 -8.616 1.00 31.44 C ATOM 0 H VAL A 38 -13.057 1.329 -4.980 1.00 15.21 H new ATOM 0 HA VAL A 38 -12.037 0.458 -7.600 1.00 73.23 H new ATOM 0 HB VAL A 38 -14.021 -0.753 -6.974 1.00 42.41 H new ATOM 0 HG11 VAL A 38 -16.114 0.364 -6.322 1.00 33.04 H new ATOM 0 HG12 VAL A 38 -14.793 0.717 -5.182 1.00 33.04 H new ATOM 0 HG13 VAL A 38 -15.286 1.939 -6.378 1.00 33.04 H new ATOM 0 HG21 VAL A 38 -15.624 -0.055 -8.708 1.00 31.44 H new ATOM 0 HG22 VAL A 38 -14.777 1.502 -8.861 1.00 31.44 H new ATOM 0 HG23 VAL A 38 -13.948 -0.010 -9.303 1.00 31.44 H new ATOM 631 N GLU A 39 -12.527 2.593 -8.852 1.00 73.24 N ATOM 632 CA GLU A 39 -12.580 3.899 -9.498 1.00 14.32 C ATOM 633 C GLU A 39 -13.709 3.954 -10.524 1.00 24.21 C ATOM 634 O GLU A 39 -14.545 4.857 -10.497 1.00 70.21 O ATOM 635 CB GLU A 39 -11.245 4.213 -10.175 1.00 64.21 C ATOM 636 CG GLU A 39 -10.123 4.518 -9.197 1.00 22.54 C ATOM 637 CD GLU A 39 -10.121 5.965 -8.743 1.00 71.43 C ATOM 638 OE1 GLU A 39 -10.577 6.830 -9.520 1.00 62.45 O ATOM 639 OE2 GLU A 39 -9.664 6.232 -7.613 1.00 11.15 O ATOM 0 H GLU A 39 -12.191 1.839 -9.451 1.00 73.24 H new ATOM 0 HA GLU A 39 -12.774 4.647 -8.730 1.00 14.32 H new ATOM 0 HB2 GLU A 39 -10.954 3.366 -10.796 1.00 64.21 H new ATOM 0 HB3 GLU A 39 -11.377 5.066 -10.841 1.00 64.21 H new ATOM 0 HG2 GLU A 39 -10.218 3.868 -8.327 1.00 22.54 H new ATOM 0 HG3 GLU A 39 -9.166 4.287 -9.664 1.00 22.54 H new ATOM 646 N LYS A 40 -13.725 2.981 -11.429 1.00 22.13 N ATOM 647 CA LYS A 40 -14.749 2.915 -12.464 1.00 52.43 C ATOM 648 C LYS A 40 -15.606 1.664 -12.304 1.00 22.41 C ATOM 649 O LYS A 40 -15.115 0.613 -11.891 1.00 62.32 O ATOM 650 CB LYS A 40 -14.103 2.930 -13.851 1.00 60.24 C ATOM 651 CG LYS A 40 -13.909 4.326 -14.418 1.00 21.15 C ATOM 652 CD LYS A 40 -12.950 5.144 -13.568 1.00 75.32 C ATOM 653 CE LYS A 40 -11.591 4.471 -13.457 1.00 61.13 C ATOM 654 NZ LYS A 40 -10.515 5.446 -13.129 1.00 4.14 N ATOM 0 H LYS A 40 -13.039 2.227 -11.466 1.00 22.13 H new ATOM 0 HA LYS A 40 -15.392 3.789 -12.360 1.00 52.43 H new ATOM 0 HB2 LYS A 40 -13.135 2.431 -13.797 1.00 60.24 H new ATOM 0 HB3 LYS A 40 -14.722 2.351 -14.537 1.00 60.24 H new ATOM 0 HG2 LYS A 40 -13.526 4.256 -15.436 1.00 21.15 H new ATOM 0 HG3 LYS A 40 -14.872 4.834 -14.474 1.00 21.15 H new ATOM 0 HD2 LYS A 40 -12.831 6.136 -14.004 1.00 75.32 H new ATOM 0 HD3 LYS A 40 -13.371 5.282 -12.572 1.00 75.32 H new ATOM 0 HE2 LYS A 40 -11.629 3.700 -12.688 1.00 61.13 H new ATOM 0 HE3 LYS A 40 -11.355 3.972 -14.397 1.00 61.13 H new ATOM 0 HZ1 LYS A 40 -9.794 4.982 -12.540 1.00 4.14 H new ATOM 0 HZ2 LYS A 40 -10.076 5.788 -14.008 1.00 4.14 H new ATOM 0 HZ3 LYS A 40 -10.922 6.250 -12.610 1.00 4.14 H new ATOM 668 N ASP A 41 -16.887 1.783 -12.634 1.00 30.21 N ATOM 669 CA ASP A 41 -17.811 0.660 -12.529 1.00 34.21 C ATOM 670 C ASP A 41 -19.191 1.040 -13.058 1.00 1.14 C ATOM 671 O ASP A 41 -19.778 2.034 -12.632 1.00 4.01 O ATOM 672 CB ASP A 41 -17.919 0.194 -11.076 1.00 1.30 C ATOM 673 CG ASP A 41 -18.655 1.190 -10.202 1.00 13.31 C ATOM 674 OD1 ASP A 41 -18.050 2.220 -9.837 1.00 32.42 O ATOM 675 OD2 ASP A 41 -19.837 0.940 -9.882 1.00 65.02 O ATOM 0 H ASP A 41 -17.309 2.646 -12.977 1.00 30.21 H new ATOM 0 HA ASP A 41 -17.421 -0.157 -13.136 1.00 34.21 H new ATOM 0 HB2 ASP A 41 -18.435 -0.765 -11.043 1.00 1.30 H new ATOM 0 HB3 ASP A 41 -16.919 0.032 -10.674 1.00 1.30 H new ATOM 680 N GLY A 42 -19.703 0.242 -13.990 1.00 22.13 N ATOM 681 CA GLY A 42 -21.009 0.512 -14.562 1.00 44.22 C ATOM 682 C GLY A 42 -20.992 0.493 -16.078 1.00 35.32 C ATOM 683 O GLY A 42 -21.546 1.383 -16.724 1.00 25.01 O ATOM 0 H GLY A 42 -19.237 -0.587 -14.359 1.00 22.13 H new ATOM 0 HA2 GLY A 42 -21.721 -0.230 -14.200 1.00 44.22 H new ATOM 0 HA3 GLY A 42 -21.359 1.485 -14.218 1.00 44.22 H new ATOM 687 N LYS A 43 -20.355 -0.524 -16.648 1.00 73.21 N ATOM 688 CA LYS A 43 -20.268 -0.657 -18.097 1.00 60.15 C ATOM 689 C LYS A 43 -19.405 0.450 -18.694 1.00 41.03 C ATOM 690 O LYS A 43 -19.053 1.411 -18.012 1.00 45.44 O ATOM 691 CB LYS A 43 -21.666 -0.619 -18.719 1.00 30.42 C ATOM 692 CG LYS A 43 -21.986 -1.836 -19.570 1.00 35.14 C ATOM 693 CD LYS A 43 -23.485 -2.063 -19.677 1.00 12.34 C ATOM 694 CE LYS A 43 -23.933 -3.242 -18.827 1.00 24.12 C ATOM 695 NZ LYS A 43 -25.415 -3.301 -18.696 1.00 2.43 N ATOM 0 H LYS A 43 -19.891 -1.269 -16.128 1.00 73.21 H new ATOM 0 HA LYS A 43 -19.803 -1.617 -18.321 1.00 60.15 H new ATOM 0 HB2 LYS A 43 -22.407 -0.537 -17.923 1.00 30.42 H new ATOM 0 HB3 LYS A 43 -21.757 0.277 -19.333 1.00 30.42 H new ATOM 0 HG2 LYS A 43 -21.565 -1.705 -20.567 1.00 35.14 H new ATOM 0 HG3 LYS A 43 -21.513 -2.718 -19.138 1.00 35.14 H new ATOM 0 HD2 LYS A 43 -24.014 -1.164 -19.361 1.00 12.34 H new ATOM 0 HD3 LYS A 43 -23.754 -2.241 -20.718 1.00 12.34 H new ATOM 0 HE2 LYS A 43 -23.571 -4.169 -19.272 1.00 24.12 H new ATOM 0 HE3 LYS A 43 -23.484 -3.167 -17.837 1.00 24.12 H new ATOM 0 HZ1 LYS A 43 -25.679 -4.118 -18.110 1.00 2.43 H new ATOM 0 HZ2 LYS A 43 -25.759 -2.428 -18.248 1.00 2.43 H new ATOM 0 HZ3 LYS A 43 -25.843 -3.398 -19.639 1.00 2.43 H new ATOM 709 N GLY A 44 -19.069 0.308 -19.973 1.00 2.20 N ATOM 710 CA GLY A 44 -18.251 1.304 -20.640 1.00 11.41 C ATOM 711 C GLY A 44 -17.499 0.737 -21.827 1.00 24.40 C ATOM 712 O GLY A 44 -17.401 1.378 -22.872 1.00 63.54 O ATOM 0 H GLY A 44 -19.349 -0.479 -20.559 1.00 2.20 H new ATOM 0 HA2 GLY A 44 -18.885 2.125 -20.974 1.00 11.41 H new ATOM 0 HA3 GLY A 44 -17.539 1.720 -19.928 1.00 11.41 H new ATOM 716 N ASN A 45 -16.964 -0.469 -21.665 1.00 20.41 N ATOM 717 CA ASN A 45 -16.214 -1.123 -22.732 1.00 10.44 C ATOM 718 C ASN A 45 -14.926 -0.363 -23.035 1.00 72.00 C ATOM 719 O ASN A 45 -14.529 0.530 -22.287 1.00 54.12 O ATOM 720 CB ASN A 45 -17.069 -1.225 -23.996 1.00 53.51 C ATOM 721 CG ASN A 45 -17.052 -2.618 -24.595 1.00 14.32 C ATOM 722 OD1 ASN A 45 -16.951 -3.613 -23.877 1.00 2.30 O ATOM 723 ND2 ASN A 45 -17.152 -2.695 -25.917 1.00 1.42 N ATOM 0 H ASN A 45 -17.036 -1.013 -20.805 1.00 20.41 H new ATOM 0 HA ASN A 45 -15.953 -2.127 -22.397 1.00 10.44 H new ATOM 0 HB2 ASN A 45 -18.096 -0.947 -23.760 1.00 53.51 H new ATOM 0 HB3 ASN A 45 -16.707 -0.510 -24.735 1.00 53.51 H new ATOM 0 HD21 ASN A 45 -17.147 -3.606 -26.377 1.00 1.42 H new ATOM 0 HD22 ASN A 45 -17.234 -1.844 -26.473 1.00 1.42 H new ATOM 730 N ALA A 46 -14.278 -0.724 -24.138 1.00 34.42 N ATOM 731 CA ALA A 46 -13.037 -0.076 -24.542 1.00 12.31 C ATOM 732 C ALA A 46 -13.228 1.430 -24.690 1.00 3.12 C ATOM 733 O ALA A 46 -12.285 2.204 -24.522 1.00 11.03 O ATOM 734 CB ALA A 46 -12.528 -0.676 -25.844 1.00 42.41 C ATOM 0 H ALA A 46 -14.593 -1.462 -24.768 1.00 34.42 H new ATOM 0 HA ALA A 46 -12.295 -0.247 -23.762 1.00 12.31 H new ATOM 0 HB1 ALA A 46 -11.600 -0.182 -26.134 1.00 42.41 H new ATOM 0 HB2 ALA A 46 -12.344 -1.742 -25.706 1.00 42.41 H new ATOM 0 HB3 ALA A 46 -13.274 -0.534 -26.626 1.00 42.41 H new ATOM 740 N ASP A 47 -14.452 1.839 -25.006 1.00 24.53 N ATOM 741 CA ASP A 47 -14.766 3.252 -25.176 1.00 3.40 C ATOM 742 C ASP A 47 -14.291 4.063 -23.974 1.00 11.10 C ATOM 743 O ASP A 47 -13.480 4.978 -24.112 1.00 62.21 O ATOM 744 CB ASP A 47 -16.270 3.442 -25.373 1.00 14.40 C ATOM 745 CG ASP A 47 -16.614 4.814 -25.921 1.00 70.50 C ATOM 746 OD1 ASP A 47 -15.843 5.764 -25.669 1.00 73.34 O ATOM 747 OD2 ASP A 47 -17.653 4.936 -26.602 1.00 51.43 O ATOM 0 H ASP A 47 -15.243 1.211 -25.150 1.00 24.53 H new ATOM 0 HA ASP A 47 -14.243 3.611 -26.063 1.00 3.40 H new ATOM 0 HB2 ASP A 47 -16.644 2.678 -26.054 1.00 14.40 H new ATOM 0 HB3 ASP A 47 -16.779 3.296 -24.420 1.00 14.40 H new ATOM 752 N GLU A 48 -14.804 3.721 -22.796 1.00 62.01 N ATOM 753 CA GLU A 48 -14.433 4.419 -21.571 1.00 32.04 C ATOM 754 C GLU A 48 -13.147 3.844 -20.984 1.00 71.44 C ATOM 755 O GLU A 48 -12.370 4.554 -20.347 1.00 44.52 O ATOM 756 CB GLU A 48 -15.562 4.325 -20.542 1.00 72.33 C ATOM 757 CG GLU A 48 -16.920 4.731 -21.090 1.00 0.20 C ATOM 758 CD GLU A 48 -17.638 5.722 -20.194 1.00 23.21 C ATOM 759 OE1 GLU A 48 -17.942 5.362 -19.037 1.00 44.31 O ATOM 760 OE2 GLU A 48 -17.896 6.856 -20.649 1.00 22.41 O ATOM 0 H GLU A 48 -15.477 2.966 -22.664 1.00 62.01 H new ATOM 0 HA GLU A 48 -14.262 5.467 -21.819 1.00 32.04 H new ATOM 0 HB2 GLU A 48 -15.620 3.302 -20.171 1.00 72.33 H new ATOM 0 HB3 GLU A 48 -15.319 4.959 -19.690 1.00 72.33 H new ATOM 0 HG2 GLU A 48 -16.792 5.168 -22.080 1.00 0.20 H new ATOM 0 HG3 GLU A 48 -17.539 3.842 -21.212 1.00 0.20 H new ATOM 767 N PHE A 49 -12.930 2.551 -21.204 1.00 52.12 N ATOM 768 CA PHE A 49 -11.740 1.879 -20.697 1.00 22.40 C ATOM 769 C PHE A 49 -10.475 2.480 -21.303 1.00 13.41 C ATOM 770 O PHE A 49 -9.406 2.447 -20.694 1.00 62.01 O ATOM 771 CB PHE A 49 -11.804 0.381 -21.005 1.00 42.21 C ATOM 772 CG PHE A 49 -10.456 -0.280 -21.050 1.00 3.30 C ATOM 773 CD1 PHE A 49 -9.891 -0.810 -19.901 1.00 44.53 C ATOM 774 CD2 PHE A 49 -9.753 -0.371 -22.241 1.00 14.50 C ATOM 775 CE1 PHE A 49 -8.650 -1.419 -19.939 1.00 55.31 C ATOM 776 CE2 PHE A 49 -8.513 -0.979 -22.285 1.00 52.10 C ATOM 777 CZ PHE A 49 -7.960 -1.502 -21.133 1.00 35.55 C ATOM 0 H PHE A 49 -13.563 1.948 -21.730 1.00 52.12 H new ATOM 0 HA PHE A 49 -11.707 2.020 -19.617 1.00 22.40 H new ATOM 0 HB2 PHE A 49 -12.416 -0.111 -20.249 1.00 42.21 H new ATOM 0 HB3 PHE A 49 -12.303 0.236 -21.963 1.00 42.21 H new ATOM 0 HD1 PHE A 49 -10.426 -0.747 -18.965 1.00 44.53 H new ATOM 0 HD2 PHE A 49 -10.179 0.038 -23.145 1.00 14.50 H new ATOM 0 HE1 PHE A 49 -8.221 -1.829 -19.037 1.00 55.31 H new ATOM 0 HE2 PHE A 49 -7.977 -1.045 -23.220 1.00 52.10 H new ATOM 0 HZ PHE A 49 -6.990 -1.975 -21.165 1.00 35.55 H new ATOM 787 N ARG A 50 -10.607 3.030 -22.506 1.00 25.20 N ATOM 788 CA ARG A 50 -9.475 3.638 -23.196 1.00 31.42 C ATOM 789 C ARG A 50 -9.322 5.104 -22.802 1.00 73.13 C ATOM 790 O ARG A 50 -8.266 5.703 -22.999 1.00 0.13 O ATOM 791 CB ARG A 50 -9.652 3.521 -24.711 1.00 24.31 C ATOM 792 CG ARG A 50 -10.674 4.490 -25.281 1.00 74.44 C ATOM 793 CD ARG A 50 -10.017 5.537 -26.166 1.00 4.33 C ATOM 794 NE ARG A 50 -10.878 6.699 -26.371 1.00 25.00 N ATOM 795 CZ ARG A 50 -10.601 7.677 -27.227 1.00 21.33 C ATOM 796 NH1 ARG A 50 -9.493 7.633 -27.953 1.00 64.40 N ATOM 797 NH2 ARG A 50 -11.434 8.701 -27.357 1.00 51.14 N ATOM 0 H ARG A 50 -11.486 3.067 -23.023 1.00 25.20 H new ATOM 0 HA ARG A 50 -8.572 3.104 -22.900 1.00 31.42 H new ATOM 0 HB2 ARG A 50 -8.691 3.694 -25.195 1.00 24.31 H new ATOM 0 HB3 ARG A 50 -9.954 2.503 -24.956 1.00 24.31 H new ATOM 0 HG2 ARG A 50 -11.417 3.939 -25.858 1.00 74.44 H new ATOM 0 HG3 ARG A 50 -11.204 4.982 -24.466 1.00 74.44 H new ATOM 0 HD2 ARG A 50 -9.078 5.857 -25.714 1.00 4.33 H new ATOM 0 HD3 ARG A 50 -9.771 5.093 -27.131 1.00 4.33 H new ATOM 0 HE ARG A 50 -11.739 6.763 -25.828 1.00 25.00 H new ATOM 0 HH11 ARG A 50 -8.850 6.847 -27.856 1.00 64.40 H new ATOM 0 HH12 ARG A 50 -9.283 8.385 -28.609 1.00 64.40 H new ATOM 0 HH21 ARG A 50 -12.288 8.738 -26.800 1.00 51.14 H new ATOM 0 HH22 ARG A 50 -11.221 9.451 -28.014 1.00 51.14 H new ATOM 811 N GLY A 51 -10.386 5.676 -22.246 1.00 3.13 N ATOM 812 CA GLY A 51 -10.349 7.067 -21.834 1.00 54.22 C ATOM 813 C GLY A 51 -10.516 7.233 -20.337 1.00 11.52 C ATOM 814 O GLY A 51 -10.768 8.336 -19.852 1.00 50.22 O ATOM 0 H GLY A 51 -11.272 5.201 -22.074 1.00 3.13 H new ATOM 0 HA2 GLY A 51 -9.401 7.509 -22.142 1.00 54.22 H new ATOM 0 HA3 GLY A 51 -11.138 7.616 -22.348 1.00 54.22 H new ATOM 818 N ALA A 52 -10.377 6.135 -19.602 1.00 21.10 N ATOM 819 CA ALA A 52 -10.513 6.164 -18.151 1.00 54.00 C ATOM 820 C ALA A 52 -9.152 6.078 -17.470 1.00 2.23 C ATOM 821 O ALA A 52 -8.839 6.874 -16.583 1.00 24.41 O ATOM 822 CB ALA A 52 -11.413 5.030 -17.683 1.00 25.54 C ATOM 0 H ALA A 52 -10.170 5.214 -19.988 1.00 21.10 H new ATOM 0 HA ALA A 52 -10.969 7.114 -17.872 1.00 54.00 H new ATOM 0 HB1 ALA A 52 -11.506 5.064 -16.597 1.00 25.54 H new ATOM 0 HB2 ALA A 52 -12.399 5.138 -18.135 1.00 25.54 H new ATOM 0 HB3 ALA A 52 -10.980 4.075 -17.981 1.00 25.54 H new ATOM 828 N LEU A 53 -8.346 5.109 -17.889 1.00 31.55 N ATOM 829 CA LEU A 53 -7.017 4.918 -17.318 1.00 11.21 C ATOM 830 C LEU A 53 -6.234 6.227 -17.314 1.00 64.11 C ATOM 831 O LEU A 53 -5.804 6.725 -18.355 1.00 21.31 O ATOM 832 CB LEU A 53 -6.250 3.854 -18.105 1.00 34.23 C ATOM 833 CG LEU A 53 -6.074 4.122 -19.600 1.00 24.33 C ATOM 834 CD1 LEU A 53 -4.640 4.529 -19.903 1.00 51.21 C ATOM 835 CD2 LEU A 53 -6.464 2.895 -20.411 1.00 54.22 C ATOM 0 H LEU A 53 -8.589 4.443 -18.622 1.00 31.55 H new ATOM 0 HA LEU A 53 -7.136 4.583 -16.288 1.00 11.21 H new ATOM 0 HB2 LEU A 53 -5.262 3.741 -17.658 1.00 34.23 H new ATOM 0 HB3 LEU A 53 -6.765 2.901 -17.985 1.00 34.23 H new ATOM 0 HG LEU A 53 -6.732 4.944 -19.883 1.00 24.33 H new ATOM 0 HD11 LEU A 53 -4.533 4.716 -20.972 1.00 51.21 H new ATOM 0 HD12 LEU A 53 -4.394 5.435 -19.350 1.00 51.21 H new ATOM 0 HD13 LEU A 53 -3.964 3.728 -19.605 1.00 51.21 H new ATOM 0 HD21 LEU A 53 -6.333 3.104 -21.473 1.00 54.22 H new ATOM 0 HD22 LEU A 53 -5.832 2.054 -20.125 1.00 54.22 H new ATOM 0 HD23 LEU A 53 -7.507 2.647 -20.217 1.00 54.22 H new ATOM 847 N PRO A 54 -6.040 6.798 -16.116 1.00 34.22 N ATOM 848 CA PRO A 54 -5.305 8.055 -15.947 1.00 72.30 C ATOM 849 C PRO A 54 -3.814 7.895 -16.221 1.00 24.14 C ATOM 850 O PRO A 54 -3.189 6.935 -15.769 1.00 15.30 O ATOM 851 CB PRO A 54 -5.544 8.411 -14.478 1.00 32.14 C ATOM 852 CG PRO A 54 -5.818 7.107 -13.811 1.00 63.24 C ATOM 853 CD PRO A 54 -6.524 6.260 -14.833 1.00 75.13 C ATOM 0 HA PRO A 54 -5.642 8.821 -16.645 1.00 72.30 H new ATOM 0 HB2 PRO A 54 -4.674 8.903 -14.043 1.00 32.14 H new ATOM 0 HB3 PRO A 54 -6.385 9.096 -14.369 1.00 32.14 H new ATOM 0 HG2 PRO A 54 -4.892 6.634 -13.484 1.00 63.24 H new ATOM 0 HG3 PRO A 54 -6.436 7.245 -12.924 1.00 63.24 H new ATOM 0 HD2 PRO A 54 -6.276 5.205 -14.721 1.00 75.13 H new ATOM 0 HD3 PRO A 54 -7.607 6.344 -14.745 1.00 75.13 H new ATOM 861 N ALA A 55 -3.248 8.842 -16.962 1.00 70.54 N ATOM 862 CA ALA A 55 -1.829 8.807 -17.294 1.00 20.43 C ATOM 863 C ALA A 55 -0.986 9.381 -16.160 1.00 32.52 C ATOM 864 O ALA A 55 0.240 9.284 -16.175 1.00 41.34 O ATOM 865 CB ALA A 55 -1.570 9.569 -18.585 1.00 25.23 C ATOM 0 H ALA A 55 -3.751 9.643 -17.344 1.00 70.54 H new ATOM 0 HA ALA A 55 -1.540 7.766 -17.436 1.00 20.43 H new ATOM 0 HB1 ALA A 55 -0.506 9.535 -18.821 1.00 25.23 H new ATOM 0 HB2 ALA A 55 -2.137 9.113 -19.397 1.00 25.23 H new ATOM 0 HB3 ALA A 55 -1.881 10.607 -18.464 1.00 25.23 H new ATOM 871 N ASN A 56 -1.653 9.978 -15.177 1.00 43.24 N ATOM 872 CA ASN A 56 -0.964 10.569 -14.036 1.00 0.13 C ATOM 873 C ASN A 56 -0.755 9.536 -12.932 1.00 52.43 C ATOM 874 O ASN A 56 0.164 9.656 -12.122 1.00 62.42 O ATOM 875 CB ASN A 56 -1.760 11.758 -13.493 1.00 63.00 C ATOM 876 CG ASN A 56 -0.911 12.679 -12.638 1.00 14.50 C ATOM 877 OD1 ASN A 56 -0.231 13.568 -13.150 1.00 44.04 O ATOM 878 ND2 ASN A 56 -0.949 12.471 -11.327 1.00 62.11 N ATOM 0 H ASN A 56 -2.669 10.065 -15.148 1.00 43.24 H new ATOM 0 HA ASN A 56 0.012 10.917 -14.373 1.00 0.13 H new ATOM 0 HB2 ASN A 56 -2.178 12.323 -14.326 1.00 63.00 H new ATOM 0 HB3 ASN A 56 -2.600 11.391 -12.903 1.00 63.00 H new ATOM 0 HD21 ASN A 56 -0.400 13.060 -10.701 1.00 62.11 H new ATOM 0 HD22 ASN A 56 -1.527 11.722 -10.946 1.00 62.11 H new ATOM 885 N ASP A 57 -1.614 8.523 -12.908 1.00 11.33 N ATOM 886 CA ASP A 57 -1.523 7.468 -11.905 1.00 54.12 C ATOM 887 C ASP A 57 -1.844 6.108 -12.517 1.00 52.12 C ATOM 888 O ASP A 57 -2.680 6.002 -13.416 1.00 1.24 O ATOM 889 CB ASP A 57 -2.476 7.756 -10.743 1.00 63.14 C ATOM 890 CG ASP A 57 -2.101 6.996 -9.486 1.00 51.20 C ATOM 891 OD1 ASP A 57 -2.250 5.756 -9.475 1.00 15.21 O ATOM 892 OD2 ASP A 57 -1.658 7.642 -8.513 1.00 63.54 O ATOM 0 H ASP A 57 -2.381 8.410 -13.571 1.00 11.33 H new ATOM 0 HA ASP A 57 -0.500 7.445 -11.529 1.00 54.12 H new ATOM 0 HB2 ASP A 57 -2.474 8.825 -10.532 1.00 63.14 H new ATOM 0 HB3 ASP A 57 -3.492 7.490 -11.035 1.00 63.14 H new ATOM 897 N CYS A 58 -1.174 5.071 -12.026 1.00 14.50 N ATOM 898 CA CYS A 58 -1.387 3.718 -12.526 1.00 23.31 C ATOM 899 C CYS A 58 -2.753 3.189 -12.101 1.00 40.34 C ATOM 900 O CYS A 58 -3.375 3.718 -11.180 1.00 21.13 O ATOM 901 CB CYS A 58 -0.286 2.786 -12.018 1.00 64.31 C ATOM 902 SG CYS A 58 0.111 1.429 -13.145 1.00 71.42 S ATOM 0 H CYS A 58 -0.479 5.142 -11.283 1.00 14.50 H new ATOM 0 HA CYS A 58 -1.353 3.750 -13.615 1.00 23.31 H new ATOM 0 HB2 CYS A 58 0.616 3.371 -11.839 1.00 64.31 H new ATOM 0 HB3 CYS A 58 -0.592 2.369 -11.058 1.00 64.31 H new ATOM 0 HG CYS A 58 1.069 0.710 -12.639 1.00 71.42 H new ATOM 908 N ARG A 59 -3.215 2.145 -12.781 1.00 22.43 N ATOM 909 CA ARG A 59 -4.509 1.547 -12.476 1.00 30.42 C ATOM 910 C ARG A 59 -4.615 0.146 -13.072 1.00 42.03 C ATOM 911 O ARG A 59 -3.719 -0.305 -13.786 1.00 60.42 O ATOM 912 CB ARG A 59 -5.640 2.427 -13.010 1.00 72.14 C ATOM 913 CG ARG A 59 -6.699 2.756 -11.971 1.00 1.23 C ATOM 914 CD ARG A 59 -6.849 4.258 -11.785 1.00 4.04 C ATOM 915 NE ARG A 59 -5.878 4.791 -10.832 1.00 41.05 N ATOM 916 CZ ARG A 59 -5.982 5.990 -10.270 1.00 42.15 C ATOM 917 NH1 ARG A 59 -7.008 6.776 -10.563 1.00 54.43 N ATOM 918 NH2 ARG A 59 -5.058 6.405 -9.413 1.00 62.32 N ATOM 0 H ARG A 59 -2.713 1.696 -13.547 1.00 22.43 H new ATOM 0 HA ARG A 59 -4.599 1.470 -11.392 1.00 30.42 H new ATOM 0 HB2 ARG A 59 -5.217 3.356 -13.391 1.00 72.14 H new ATOM 0 HB3 ARG A 59 -6.114 1.923 -13.852 1.00 72.14 H new ATOM 0 HG2 ARG A 59 -7.654 2.329 -12.276 1.00 1.23 H new ATOM 0 HG3 ARG A 59 -6.433 2.295 -11.020 1.00 1.23 H new ATOM 0 HD2 ARG A 59 -6.725 4.757 -12.746 1.00 4.04 H new ATOM 0 HD3 ARG A 59 -7.858 4.481 -11.438 1.00 4.04 H new ATOM 0 HE ARG A 59 -5.076 4.211 -10.585 1.00 41.05 H new ATOM 0 HH11 ARG A 59 -7.720 6.461 -11.222 1.00 54.43 H new ATOM 0 HH12 ARG A 59 -7.085 7.696 -10.130 1.00 54.43 H new ATOM 0 HH21 ARG A 59 -4.267 5.803 -9.185 1.00 62.32 H new ATOM 0 HH22 ARG A 59 -5.139 7.326 -8.982 1.00 62.32 H new ATOM 932 N PHE A 60 -5.715 -0.537 -12.774 1.00 51.11 N ATOM 933 CA PHE A 60 -5.938 -1.887 -13.279 1.00 44.42 C ATOM 934 C PHE A 60 -7.429 -2.190 -13.381 1.00 35.45 C ATOM 935 O PHE A 60 -8.188 -1.952 -12.441 1.00 62.54 O ATOM 936 CB PHE A 60 -5.257 -2.913 -12.371 1.00 12.34 C ATOM 937 CG PHE A 60 -4.661 -2.312 -11.130 1.00 31.34 C ATOM 938 CD1 PHE A 60 -5.475 -1.819 -10.123 1.00 33.02 C ATOM 939 CD2 PHE A 60 -3.287 -2.242 -10.969 1.00 43.35 C ATOM 940 CE1 PHE A 60 -4.929 -1.265 -8.980 1.00 73.42 C ATOM 941 CE2 PHE A 60 -2.735 -1.690 -9.829 1.00 2.52 C ATOM 942 CZ PHE A 60 -3.557 -1.202 -8.832 1.00 54.35 C ATOM 0 H PHE A 60 -6.466 -0.178 -12.185 1.00 51.11 H new ATOM 0 HA PHE A 60 -5.504 -1.951 -14.277 1.00 44.42 H new ATOM 0 HB2 PHE A 60 -5.985 -3.672 -12.084 1.00 12.34 H new ATOM 0 HB3 PHE A 60 -4.472 -3.420 -12.933 1.00 12.34 H new ATOM 0 HD1 PHE A 60 -6.548 -1.868 -10.232 1.00 33.02 H new ATOM 0 HD2 PHE A 60 -2.639 -2.624 -11.744 1.00 43.35 H new ATOM 0 HE1 PHE A 60 -5.575 -0.882 -8.204 1.00 73.42 H new ATOM 0 HE2 PHE A 60 -1.662 -1.640 -9.718 1.00 2.52 H new ATOM 0 HZ PHE A 60 -3.128 -0.772 -7.939 1.00 54.35 H new ATOM 952 N GLY A 61 -7.844 -2.718 -14.529 1.00 5.32 N ATOM 953 CA GLY A 61 -9.243 -3.045 -14.733 1.00 45.01 C ATOM 954 C GLY A 61 -9.470 -4.533 -14.910 1.00 60.15 C ATOM 955 O GLY A 61 -8.781 -5.185 -15.696 1.00 55.51 O ATOM 0 H GLY A 61 -7.236 -2.925 -15.321 1.00 5.32 H new ATOM 0 HA2 GLY A 61 -9.824 -2.691 -13.881 1.00 45.01 H new ATOM 0 HA3 GLY A 61 -9.612 -2.517 -15.612 1.00 45.01 H new ATOM 959 N VAL A 62 -10.438 -5.074 -14.177 1.00 40.22 N ATOM 960 CA VAL A 62 -10.754 -6.495 -14.257 1.00 11.14 C ATOM 961 C VAL A 62 -12.019 -6.732 -15.074 1.00 40.31 C ATOM 962 O VAL A 62 -13.047 -6.094 -14.846 1.00 1.44 O ATOM 963 CB VAL A 62 -10.939 -7.108 -12.856 1.00 12.22 C ATOM 964 CG1 VAL A 62 -9.604 -7.576 -12.297 1.00 12.01 C ATOM 965 CG2 VAL A 62 -11.597 -6.106 -11.919 1.00 2.21 C ATOM 0 H VAL A 62 -11.017 -4.550 -13.521 1.00 40.22 H new ATOM 0 HA VAL A 62 -9.911 -6.979 -14.750 1.00 11.14 H new ATOM 0 HB VAL A 62 -11.594 -7.975 -12.942 1.00 12.22 H new ATOM 0 HG11 VAL A 62 -9.755 -8.006 -11.307 1.00 12.01 H new ATOM 0 HG12 VAL A 62 -9.177 -8.329 -12.959 1.00 12.01 H new ATOM 0 HG13 VAL A 62 -8.923 -6.728 -12.224 1.00 12.01 H new ATOM 0 HG21 VAL A 62 -11.720 -6.556 -10.934 1.00 2.21 H new ATOM 0 HG22 VAL A 62 -10.970 -5.218 -11.837 1.00 2.21 H new ATOM 0 HG23 VAL A 62 -12.573 -5.825 -12.314 1.00 2.21 H new ATOM 975 N TYR A 63 -11.937 -7.653 -16.027 1.00 44.04 N ATOM 976 CA TYR A 63 -13.074 -7.973 -16.881 1.00 74.31 C ATOM 977 C TYR A 63 -13.186 -9.479 -17.098 1.00 65.33 C ATOM 978 O TYR A 63 -12.228 -10.130 -17.518 1.00 11.30 O ATOM 979 CB TYR A 63 -12.945 -7.261 -18.228 1.00 45.33 C ATOM 980 CG TYR A 63 -12.023 -7.964 -19.199 1.00 71.10 C ATOM 981 CD1 TYR A 63 -10.710 -8.257 -18.853 1.00 44.53 C ATOM 982 CD2 TYR A 63 -12.467 -8.337 -20.462 1.00 24.10 C ATOM 983 CE1 TYR A 63 -9.864 -8.898 -19.737 1.00 72.34 C ATOM 984 CE2 TYR A 63 -11.629 -8.981 -21.352 1.00 44.41 C ATOM 985 CZ TYR A 63 -10.328 -9.258 -20.985 1.00 73.54 C ATOM 986 OH TYR A 63 -9.490 -9.899 -21.868 1.00 63.25 O ATOM 0 H TYR A 63 -11.094 -8.192 -16.228 1.00 44.04 H new ATOM 0 HA TYR A 63 -13.979 -7.628 -16.381 1.00 74.31 H new ATOM 0 HB2 TYR A 63 -13.934 -7.172 -18.678 1.00 45.33 H new ATOM 0 HB3 TYR A 63 -12.579 -6.248 -18.060 1.00 45.33 H new ATOM 0 HD1 TYR A 63 -10.344 -7.979 -17.876 1.00 44.53 H new ATOM 0 HD2 TYR A 63 -13.484 -8.120 -20.753 1.00 24.10 H new ATOM 0 HE1 TYR A 63 -8.845 -9.116 -19.453 1.00 72.34 H new ATOM 0 HE2 TYR A 63 -11.990 -9.266 -22.329 1.00 44.41 H new ATOM 0 HH TYR A 63 -9.847 -10.789 -22.070 1.00 63.25 H new ATOM 996 N ASP A 64 -14.361 -10.027 -16.810 1.00 11.40 N ATOM 997 CA ASP A 64 -14.600 -11.456 -16.975 1.00 12.32 C ATOM 998 C ASP A 64 -14.261 -11.903 -18.393 1.00 71.42 C ATOM 999 O ASP A 64 -15.044 -11.702 -19.322 1.00 40.43 O ATOM 1000 CB ASP A 64 -16.058 -11.791 -16.656 1.00 10.22 C ATOM 1001 CG ASP A 64 -16.548 -13.015 -17.404 1.00 41.23 C ATOM 1002 OD1 ASP A 64 -15.944 -14.094 -17.235 1.00 64.24 O ATOM 1003 OD2 ASP A 64 -17.535 -12.893 -18.160 1.00 32.13 O ATOM 0 H ASP A 64 -15.163 -9.503 -16.461 1.00 11.40 H new ATOM 0 HA ASP A 64 -13.952 -11.991 -16.280 1.00 12.32 H new ATOM 0 HB2 ASP A 64 -16.163 -11.958 -15.584 1.00 10.22 H new ATOM 0 HB3 ASP A 64 -16.687 -10.938 -16.909 1.00 10.22 H new ATOM 1008 N CYS A 65 -13.090 -12.510 -18.552 1.00 73.33 N ATOM 1009 CA CYS A 65 -12.646 -12.985 -19.858 1.00 53.02 C ATOM 1010 C CYS A 65 -13.147 -14.402 -20.121 1.00 2.43 C ATOM 1011 O CYS A 65 -13.027 -14.918 -21.231 1.00 2.40 O ATOM 1012 CB CYS A 65 -11.120 -12.946 -19.946 1.00 50.33 C ATOM 1013 SG CYS A 65 -10.481 -12.807 -21.632 1.00 53.32 S ATOM 0 H CYS A 65 -12.431 -12.685 -17.793 1.00 73.33 H new ATOM 0 HA CYS A 65 -13.064 -12.325 -20.618 1.00 53.02 H new ATOM 0 HB2 CYS A 65 -10.754 -12.103 -19.360 1.00 50.33 H new ATOM 0 HB3 CYS A 65 -10.717 -13.850 -19.490 1.00 50.33 H new ATOM 0 HG CYS A 65 -9.182 -12.779 -21.603 1.00 53.32 H new ATOM 1019 N GLY A 66 -13.707 -15.026 -19.089 1.00 74.44 N ATOM 1020 CA GLY A 66 -14.216 -16.378 -19.229 1.00 21.54 C ATOM 1021 C GLY A 66 -13.184 -17.427 -18.863 1.00 44.44 C ATOM 1022 O GLY A 66 -13.531 -18.557 -18.522 1.00 45.53 O ATOM 0 H GLY A 66 -13.817 -14.620 -18.160 1.00 74.44 H new ATOM 0 HA2 GLY A 66 -15.094 -16.500 -18.595 1.00 21.54 H new ATOM 0 HA3 GLY A 66 -14.541 -16.536 -20.257 1.00 21.54 H new ATOM 1026 N ASN A 67 -11.911 -17.052 -18.937 1.00 5.15 N ATOM 1027 CA ASN A 67 -10.824 -17.969 -18.613 1.00 21.21 C ATOM 1028 C ASN A 67 -9.891 -17.361 -17.571 1.00 4.24 C ATOM 1029 O ASN A 67 -9.336 -18.068 -16.729 1.00 62.03 O ATOM 1030 CB ASN A 67 -10.035 -18.324 -19.875 1.00 52.11 C ATOM 1031 CG ASN A 67 -10.587 -19.550 -20.576 1.00 24.51 C ATOM 1032 OD1 ASN A 67 -11.608 -20.104 -20.170 1.00 34.21 O ATOM 1033 ND2 ASN A 67 -9.910 -19.981 -21.635 1.00 13.15 N ATOM 0 H ASN A 67 -11.607 -16.120 -19.218 1.00 5.15 H new ATOM 0 HA ASN A 67 -11.260 -18.877 -18.198 1.00 21.21 H new ATOM 0 HB2 ASN A 67 -10.053 -17.477 -20.561 1.00 52.11 H new ATOM 0 HB3 ASN A 67 -8.992 -18.499 -19.611 1.00 52.11 H new ATOM 0 HD21 ASN A 67 -10.232 -20.802 -22.147 1.00 13.15 H new ATOM 0 HD22 ASN A 67 -9.068 -19.490 -21.936 1.00 13.15 H new ATOM 1040 N LYS A 68 -9.722 -16.044 -17.632 1.00 72.20 N ATOM 1041 CA LYS A 68 -8.858 -15.338 -16.693 1.00 71.43 C ATOM 1042 C LYS A 68 -9.056 -13.830 -16.800 1.00 51.35 C ATOM 1043 O LYS A 68 -9.238 -13.295 -17.894 1.00 50.54 O ATOM 1044 CB LYS A 68 -7.392 -15.691 -16.954 1.00 1.20 C ATOM 1045 CG LYS A 68 -6.867 -15.169 -18.280 1.00 54.05 C ATOM 1046 CD LYS A 68 -7.337 -16.028 -19.443 1.00 12.24 C ATOM 1047 CE LYS A 68 -8.368 -15.300 -20.292 1.00 63.34 C ATOM 1048 NZ LYS A 68 -8.102 -15.465 -21.748 1.00 73.54 N ATOM 0 H LYS A 68 -10.173 -15.444 -18.323 1.00 72.20 H new ATOM 0 HA LYS A 68 -9.127 -15.651 -15.684 1.00 71.43 H new ATOM 0 HB2 LYS A 68 -6.781 -15.288 -16.147 1.00 1.20 H new ATOM 0 HB3 LYS A 68 -7.278 -16.775 -16.929 1.00 1.20 H new ATOM 0 HG2 LYS A 68 -7.202 -14.142 -18.426 1.00 54.05 H new ATOM 0 HG3 LYS A 68 -5.777 -15.149 -18.258 1.00 54.05 H new ATOM 0 HD2 LYS A 68 -6.483 -16.303 -20.062 1.00 12.24 H new ATOM 0 HD3 LYS A 68 -7.766 -16.955 -19.062 1.00 12.24 H new ATOM 0 HE2 LYS A 68 -9.363 -15.679 -20.059 1.00 63.34 H new ATOM 0 HE3 LYS A 68 -8.363 -14.240 -20.040 1.00 63.34 H new ATOM 0 HZ1 LYS A 68 -8.667 -14.776 -22.284 1.00 73.54 H new ATOM 0 HZ2 LYS A 68 -7.092 -15.306 -21.937 1.00 73.54 H new ATOM 0 HZ3 LYS A 68 -8.361 -16.429 -22.041 1.00 73.54 H new ATOM 1062 N ILE A 69 -9.018 -13.150 -15.659 1.00 60.14 N ATOM 1063 CA ILE A 69 -9.191 -11.703 -15.626 1.00 64.15 C ATOM 1064 C ILE A 69 -7.900 -10.987 -16.009 1.00 1.33 C ATOM 1065 O ILE A 69 -7.058 -10.708 -15.156 1.00 23.33 O ATOM 1066 CB ILE A 69 -9.639 -11.221 -14.234 1.00 71.21 C ATOM 1067 CG1 ILE A 69 -10.595 -12.236 -13.603 1.00 4.34 C ATOM 1068 CG2 ILE A 69 -10.300 -9.854 -14.334 1.00 65.32 C ATOM 1069 CD1 ILE A 69 -11.753 -12.614 -14.499 1.00 12.54 C ATOM 0 H ILE A 69 -8.869 -13.578 -14.745 1.00 60.14 H new ATOM 0 HA ILE A 69 -9.967 -11.461 -16.352 1.00 64.15 H new ATOM 0 HB ILE A 69 -8.760 -11.132 -13.596 1.00 71.21 H new ATOM 0 HG12 ILE A 69 -10.037 -13.136 -13.345 1.00 4.34 H new ATOM 0 HG13 ILE A 69 -10.986 -11.825 -12.672 1.00 4.34 H new ATOM 0 HG21 ILE A 69 -10.611 -9.527 -13.342 1.00 65.32 H new ATOM 0 HG22 ILE A 69 -9.591 -9.136 -14.747 1.00 65.32 H new ATOM 0 HG23 ILE A 69 -11.172 -9.918 -14.985 1.00 65.32 H new ATOM 0 HD11 ILE A 69 -12.389 -13.336 -13.987 1.00 12.54 H new ATOM 0 HD12 ILE A 69 -12.335 -11.723 -14.737 1.00 12.54 H new ATOM 0 HD13 ILE A 69 -11.372 -13.055 -15.420 1.00 12.54 H new ATOM 1081 N GLN A 70 -7.753 -10.690 -17.296 1.00 12.01 N ATOM 1082 CA GLN A 70 -6.565 -10.004 -17.791 1.00 32.53 C ATOM 1083 C GLN A 70 -6.694 -8.495 -17.612 1.00 65.31 C ATOM 1084 O GLN A 70 -7.468 -7.841 -18.310 1.00 53.21 O ATOM 1085 CB GLN A 70 -6.336 -10.338 -19.266 1.00 5.31 C ATOM 1086 CG GLN A 70 -4.932 -10.014 -19.751 1.00 41.44 C ATOM 1087 CD GLN A 70 -4.869 -8.715 -20.531 1.00 13.11 C ATOM 1088 OE1 GLN A 70 -4.149 -7.788 -20.159 1.00 30.23 O ATOM 1089 NE2 GLN A 70 -5.626 -8.641 -21.620 1.00 4.21 N ATOM 0 H GLN A 70 -8.441 -10.913 -18.015 1.00 12.01 H new ATOM 0 HA GLN A 70 -5.709 -10.348 -17.211 1.00 32.53 H new ATOM 0 HB2 GLN A 70 -6.531 -11.399 -19.424 1.00 5.31 H new ATOM 0 HB3 GLN A 70 -7.057 -9.788 -19.871 1.00 5.31 H new ATOM 0 HG2 GLN A 70 -4.261 -9.952 -18.894 1.00 41.44 H new ATOM 0 HG3 GLN A 70 -4.572 -10.829 -20.379 1.00 41.44 H new ATOM 0 HE21 GLN A 70 -6.208 -9.434 -21.892 1.00 4.21 H new ATOM 0 HE22 GLN A 70 -5.626 -7.792 -22.185 1.00 4.21 H new ATOM 1098 N PHE A 71 -5.929 -7.949 -16.673 1.00 12.55 N ATOM 1099 CA PHE A 71 -5.958 -6.516 -16.401 1.00 74.10 C ATOM 1100 C PHE A 71 -4.641 -5.860 -16.802 1.00 4.51 C ATOM 1101 O PHE A 71 -3.574 -6.235 -16.316 1.00 23.21 O ATOM 1102 CB PHE A 71 -6.237 -6.262 -14.918 1.00 74.12 C ATOM 1103 CG PHE A 71 -5.269 -6.951 -13.999 1.00 72.15 C ATOM 1104 CD1 PHE A 71 -5.463 -8.273 -13.633 1.00 22.13 C ATOM 1105 CD2 PHE A 71 -4.166 -6.277 -13.502 1.00 42.53 C ATOM 1106 CE1 PHE A 71 -4.574 -8.910 -12.788 1.00 24.33 C ATOM 1107 CE2 PHE A 71 -3.273 -6.909 -12.657 1.00 51.55 C ATOM 1108 CZ PHE A 71 -3.478 -8.227 -12.299 1.00 1.53 C ATOM 0 H PHE A 71 -5.281 -8.476 -16.088 1.00 12.55 H new ATOM 0 HA PHE A 71 -6.759 -6.075 -16.995 1.00 74.10 H new ATOM 0 HB2 PHE A 71 -6.204 -5.189 -14.729 1.00 74.12 H new ATOM 0 HB3 PHE A 71 -7.248 -6.596 -14.684 1.00 74.12 H new ATOM 0 HD1 PHE A 71 -6.319 -8.812 -14.012 1.00 22.13 H new ATOM 0 HD2 PHE A 71 -4.002 -5.246 -13.778 1.00 42.53 H new ATOM 0 HE1 PHE A 71 -4.736 -9.941 -12.510 1.00 24.33 H new ATOM 0 HE2 PHE A 71 -2.416 -6.373 -12.277 1.00 51.55 H new ATOM 0 HZ PHE A 71 -2.782 -8.723 -11.638 1.00 1.53 H new ATOM 1118 N VAL A 72 -4.723 -4.876 -17.693 1.00 30.42 N ATOM 1119 CA VAL A 72 -3.538 -4.166 -18.160 1.00 32.44 C ATOM 1120 C VAL A 72 -3.201 -2.997 -17.242 1.00 12.23 C ATOM 1121 O VAL A 72 -4.092 -2.311 -16.738 1.00 74.52 O ATOM 1122 CB VAL A 72 -3.728 -3.640 -19.595 1.00 33.33 C ATOM 1123 CG1 VAL A 72 -5.116 -3.042 -19.765 1.00 14.02 C ATOM 1124 CG2 VAL A 72 -2.653 -2.619 -19.934 1.00 13.20 C ATOM 0 H VAL A 72 -5.598 -4.553 -18.106 1.00 30.42 H new ATOM 0 HA VAL A 72 -2.716 -4.881 -18.149 1.00 32.44 H new ATOM 0 HB VAL A 72 -3.633 -4.477 -20.286 1.00 33.33 H new ATOM 0 HG11 VAL A 72 -5.232 -2.676 -20.785 1.00 14.02 H new ATOM 0 HG12 VAL A 72 -5.868 -3.806 -19.566 1.00 14.02 H new ATOM 0 HG13 VAL A 72 -5.244 -2.216 -19.066 1.00 14.02 H new ATOM 0 HG21 VAL A 72 -2.802 -2.258 -20.951 1.00 13.20 H new ATOM 0 HG22 VAL A 72 -2.714 -1.782 -19.239 1.00 13.20 H new ATOM 0 HG23 VAL A 72 -1.671 -3.085 -19.855 1.00 13.20 H new ATOM 1134 N LEU A 73 -1.909 -2.773 -17.028 1.00 34.01 N ATOM 1135 CA LEU A 73 -1.453 -1.685 -16.170 1.00 50.22 C ATOM 1136 C LEU A 73 -0.820 -0.569 -16.996 1.00 71.41 C ATOM 1137 O LEU A 73 -0.218 -0.822 -18.040 1.00 11.33 O ATOM 1138 CB LEU A 73 -0.448 -2.207 -15.142 1.00 0.31 C ATOM 1139 CG LEU A 73 -0.997 -2.465 -13.738 1.00 44.42 C ATOM 1140 CD1 LEU A 73 -1.524 -3.886 -13.624 1.00 73.42 C ATOM 1141 CD2 LEU A 73 0.076 -2.206 -12.690 1.00 64.44 C ATOM 0 H LEU A 73 -1.159 -3.330 -17.437 1.00 34.01 H new ATOM 0 HA LEU A 73 -2.320 -1.279 -15.648 1.00 50.22 H new ATOM 0 HB2 LEU A 73 -0.021 -3.136 -15.520 1.00 0.31 H new ATOM 0 HB3 LEU A 73 0.369 -1.489 -15.065 1.00 0.31 H new ATOM 0 HG LEU A 73 -1.824 -1.778 -13.560 1.00 44.42 H new ATOM 0 HD11 LEU A 73 -1.910 -4.051 -12.618 1.00 73.42 H new ATOM 0 HD12 LEU A 73 -2.324 -4.037 -14.349 1.00 73.42 H new ATOM 0 HD13 LEU A 73 -0.716 -4.591 -13.823 1.00 73.42 H new ATOM 0 HD21 LEU A 73 -0.332 -2.395 -11.697 1.00 64.44 H new ATOM 0 HD22 LEU A 73 0.924 -2.868 -12.866 1.00 64.44 H new ATOM 0 HD23 LEU A 73 0.406 -1.169 -12.756 1.00 64.44 H new ATOM 1153 N TRP A 74 -0.959 0.663 -16.521 1.00 21.13 N ATOM 1154 CA TRP A 74 -0.399 1.817 -17.214 1.00 45.14 C ATOM 1155 C TRP A 74 0.438 2.669 -16.266 1.00 31.10 C ATOM 1156 O TRP A 74 -0.101 3.444 -15.475 1.00 3.20 O ATOM 1157 CB TRP A 74 -1.517 2.662 -17.827 1.00 3.10 C ATOM 1158 CG TRP A 74 -2.566 1.846 -18.519 1.00 54.51 C ATOM 1159 CD1 TRP A 74 -2.588 1.486 -19.836 1.00 61.41 C ATOM 1160 CD2 TRP A 74 -3.748 1.292 -17.930 1.00 2.40 C ATOM 1161 NE1 TRP A 74 -3.712 0.741 -20.101 1.00 64.52 N ATOM 1162 CE2 TRP A 74 -4.439 0.607 -18.948 1.00 51.02 C ATOM 1163 CE3 TRP A 74 -4.288 1.307 -16.641 1.00 70.43 C ATOM 1164 CZ2 TRP A 74 -5.642 -0.055 -18.716 1.00 24.14 C ATOM 1165 CZ3 TRP A 74 -5.482 0.649 -16.412 1.00 43.21 C ATOM 1166 CH2 TRP A 74 -6.148 -0.025 -17.445 1.00 5.25 C ATOM 0 H TRP A 74 -1.455 0.889 -15.659 1.00 21.13 H new ATOM 0 HA TRP A 74 0.249 1.451 -18.011 1.00 45.14 H new ATOM 0 HB2 TRP A 74 -1.987 3.255 -17.042 1.00 3.10 H new ATOM 0 HB3 TRP A 74 -1.083 3.363 -18.540 1.00 3.10 H new ATOM 0 HD1 TRP A 74 -1.833 1.748 -20.563 1.00 61.41 H new ATOM 0 HE1 TRP A 74 -3.964 0.351 -21.009 1.00 64.52 H new ATOM 0 HE3 TRP A 74 -3.782 1.823 -15.839 1.00 70.43 H new ATOM 0 HZ2 TRP A 74 -6.157 -0.574 -19.511 1.00 24.14 H new ATOM 0 HZ3 TRP A 74 -5.909 0.654 -15.420 1.00 43.21 H new ATOM 0 HH2 TRP A 74 -7.079 -0.530 -17.234 1.00 5.25 H new ATOM 1177 N CYS A 75 1.755 2.520 -16.350 1.00 41.43 N ATOM 1178 CA CYS A 75 2.666 3.277 -15.498 1.00 71.42 C ATOM 1179 C CYS A 75 2.578 4.769 -15.798 1.00 53.41 C ATOM 1180 O CYS A 75 2.801 5.216 -16.924 1.00 35.24 O ATOM 1181 CB CYS A 75 4.102 2.789 -15.692 1.00 44.14 C ATOM 1182 SG CYS A 75 4.292 0.994 -15.595 1.00 60.55 S ATOM 0 H CYS A 75 2.216 1.882 -16.999 1.00 41.43 H new ATOM 0 HA CYS A 75 2.372 3.116 -14.461 1.00 71.42 H new ATOM 0 HB2 CYS A 75 4.462 3.130 -16.663 1.00 44.14 H new ATOM 0 HB3 CYS A 75 4.737 3.252 -14.936 1.00 44.14 H new ATOM 0 HG CYS A 75 5.541 0.680 -15.774 1.00 60.55 H new ATOM 1188 N PRO A 76 2.243 5.561 -14.768 1.00 42.34 N ATOM 1189 CA PRO A 76 2.116 7.016 -14.897 1.00 45.02 C ATOM 1190 C PRO A 76 3.463 7.699 -15.112 1.00 21.53 C ATOM 1191 O PRO A 76 4.466 7.317 -14.509 1.00 22.05 O ATOM 1192 CB PRO A 76 1.510 7.439 -13.557 1.00 0.30 C ATOM 1193 CG PRO A 76 1.920 6.372 -12.602 1.00 34.21 C ATOM 1194 CD PRO A 76 1.964 5.098 -13.399 1.00 74.51 C ATOM 0 HA PRO A 76 1.514 7.298 -15.761 1.00 45.02 H new ATOM 0 HB2 PRO A 76 1.883 8.414 -13.244 1.00 0.30 H new ATOM 0 HB3 PRO A 76 0.425 7.518 -13.621 1.00 0.30 H new ATOM 0 HG2 PRO A 76 2.894 6.593 -12.165 1.00 34.21 H new ATOM 0 HG3 PRO A 76 1.211 6.292 -11.778 1.00 34.21 H new ATOM 0 HD2 PRO A 76 2.740 4.424 -13.037 1.00 74.51 H new ATOM 0 HD3 PRO A 76 1.020 4.556 -13.343 1.00 74.51 H new ATOM 1202 N ASP A 77 3.478 8.709 -15.974 1.00 1.23 N ATOM 1203 CA ASP A 77 4.702 9.446 -16.267 1.00 11.35 C ATOM 1204 C ASP A 77 4.896 10.591 -15.278 1.00 4.44 C ATOM 1205 O ASP A 77 5.861 11.349 -15.373 1.00 13.33 O ATOM 1206 CB ASP A 77 4.665 9.991 -17.695 1.00 62.54 C ATOM 1207 CG ASP A 77 6.051 10.265 -18.246 1.00 73.12 C ATOM 1208 OD1 ASP A 77 6.563 11.384 -18.034 1.00 51.33 O ATOM 1209 OD2 ASP A 77 6.623 9.360 -18.888 1.00 44.14 O ATOM 0 H ASP A 77 2.657 9.036 -16.482 1.00 1.23 H new ATOM 0 HA ASP A 77 5.543 8.759 -16.170 1.00 11.35 H new ATOM 0 HB2 ASP A 77 4.155 9.276 -18.341 1.00 62.54 H new ATOM 0 HB3 ASP A 77 4.081 10.911 -17.715 1.00 62.54 H new ATOM 1214 N ASN A 78 3.973 10.711 -14.329 1.00 52.14 N ATOM 1215 CA ASN A 78 4.042 11.765 -13.324 1.00 11.02 C ATOM 1216 C ASN A 78 4.844 11.307 -12.109 1.00 73.55 C ATOM 1217 O ASN A 78 5.491 12.111 -11.441 1.00 2.34 O ATOM 1218 CB ASN A 78 2.634 12.180 -12.892 1.00 71.02 C ATOM 1219 CG ASN A 78 2.631 13.467 -12.091 1.00 14.51 C ATOM 1220 OD1 ASN A 78 2.176 13.499 -10.947 1.00 64.41 O ATOM 1221 ND2 ASN A 78 3.139 14.538 -12.690 1.00 13.21 N ATOM 0 H ASN A 78 3.168 10.091 -14.235 1.00 52.14 H new ATOM 0 HA ASN A 78 4.546 12.623 -13.768 1.00 11.02 H new ATOM 0 HB2 ASN A 78 2.008 12.304 -13.775 1.00 71.02 H new ATOM 0 HB3 ASN A 78 2.190 11.383 -12.295 1.00 71.02 H new ATOM 0 HD21 ASN A 78 3.163 15.433 -12.201 1.00 13.21 H new ATOM 0 HD22 ASN A 78 3.505 14.466 -13.639 1.00 13.21 H new ATOM 1228 N ALA A 79 4.795 10.008 -11.831 1.00 64.24 N ATOM 1229 CA ALA A 79 5.519 9.441 -10.700 1.00 10.41 C ATOM 1230 C ALA A 79 5.236 7.950 -10.558 1.00 73.23 C ATOM 1231 O ALA A 79 4.489 7.516 -9.681 1.00 71.30 O ATOM 1232 CB ALA A 79 5.152 10.174 -9.418 1.00 55.42 C ATOM 0 H ALA A 79 4.261 9.329 -12.374 1.00 64.24 H new ATOM 0 HA ALA A 79 6.586 9.565 -10.885 1.00 10.41 H new ATOM 0 HB1 ALA A 79 5.700 9.740 -8.581 1.00 55.42 H new ATOM 0 HB2 ALA A 79 5.412 11.228 -9.514 1.00 55.42 H new ATOM 0 HB3 ALA A 79 4.081 10.079 -9.239 1.00 55.42 H new ATOM 1238 N PRO A 80 5.845 7.145 -11.441 1.00 74.44 N ATOM 1239 CA PRO A 80 5.673 5.689 -11.435 1.00 34.20 C ATOM 1240 C PRO A 80 6.337 5.032 -10.230 1.00 31.11 C ATOM 1241 O PRO A 80 5.903 3.976 -9.768 1.00 44.21 O ATOM 1242 CB PRO A 80 6.357 5.245 -12.731 1.00 14.15 C ATOM 1243 CG PRO A 80 7.356 6.313 -13.016 1.00 74.43 C ATOM 1244 CD PRO A 80 6.748 7.593 -12.514 1.00 43.20 C ATOM 0 HA PRO A 80 4.623 5.403 -11.372 1.00 34.20 H new ATOM 0 HB2 PRO A 80 6.838 4.274 -12.612 1.00 14.15 H new ATOM 0 HB3 PRO A 80 5.638 5.147 -13.545 1.00 14.15 H new ATOM 0 HG2 PRO A 80 8.301 6.107 -12.514 1.00 74.43 H new ATOM 0 HG3 PRO A 80 7.568 6.374 -14.083 1.00 74.43 H new ATOM 0 HD2 PRO A 80 7.508 8.279 -12.139 1.00 43.20 H new ATOM 0 HD3 PRO A 80 6.207 8.117 -13.302 1.00 43.20 H new ATOM 1252 N VAL A 81 7.392 5.663 -9.724 1.00 14.40 N ATOM 1253 CA VAL A 81 8.115 5.141 -8.571 1.00 30.20 C ATOM 1254 C VAL A 81 7.161 4.801 -7.431 1.00 51.04 C ATOM 1255 O VAL A 81 7.457 3.952 -6.591 1.00 23.23 O ATOM 1256 CB VAL A 81 9.165 6.147 -8.064 1.00 0.10 C ATOM 1257 CG1 VAL A 81 8.520 7.495 -7.780 1.00 32.11 C ATOM 1258 CG2 VAL A 81 9.863 5.609 -6.824 1.00 71.10 C ATOM 0 H VAL A 81 7.765 6.537 -10.095 1.00 14.40 H new ATOM 0 HA VAL A 81 8.621 4.233 -8.900 1.00 30.20 H new ATOM 0 HB VAL A 81 9.914 6.287 -8.843 1.00 0.10 H new ATOM 0 HG11 VAL A 81 9.277 8.193 -7.423 1.00 32.11 H new ATOM 0 HG12 VAL A 81 8.071 7.883 -8.694 1.00 32.11 H new ATOM 0 HG13 VAL A 81 7.749 7.376 -7.019 1.00 32.11 H new ATOM 0 HG21 VAL A 81 10.602 6.333 -6.479 1.00 71.10 H new ATOM 0 HG22 VAL A 81 9.128 5.439 -6.038 1.00 71.10 H new ATOM 0 HG23 VAL A 81 10.361 4.670 -7.065 1.00 71.10 H new ATOM 1268 N LYS A 82 6.013 5.470 -7.409 1.00 72.42 N ATOM 1269 CA LYS A 82 5.012 5.238 -6.374 1.00 42.52 C ATOM 1270 C LYS A 82 4.226 3.961 -6.653 1.00 10.41 C ATOM 1271 O LYS A 82 4.290 2.988 -5.902 1.00 11.12 O ATOM 1272 CB LYS A 82 4.056 6.430 -6.285 1.00 72.25 C ATOM 1273 CG LYS A 82 4.261 7.283 -5.046 1.00 13.40 C ATOM 1274 CD LYS A 82 3.218 6.982 -3.983 1.00 13.32 C ATOM 1275 CE LYS A 82 3.517 7.717 -2.685 1.00 34.11 C ATOM 1276 NZ LYS A 82 2.428 7.540 -1.684 1.00 40.23 N ATOM 0 H LYS A 82 5.753 6.177 -8.096 1.00 72.42 H new ATOM 0 HA LYS A 82 5.530 5.123 -5.422 1.00 42.52 H new ATOM 0 HB2 LYS A 82 4.183 7.053 -7.170 1.00 72.25 H new ATOM 0 HB3 LYS A 82 3.030 6.063 -6.298 1.00 72.25 H new ATOM 0 HG2 LYS A 82 5.257 7.104 -4.641 1.00 13.40 H new ATOM 0 HG3 LYS A 82 4.212 8.338 -5.317 1.00 13.40 H new ATOM 0 HD2 LYS A 82 2.232 7.271 -4.347 1.00 13.32 H new ATOM 0 HD3 LYS A 82 3.187 5.909 -3.796 1.00 13.32 H new ATOM 0 HE2 LYS A 82 4.456 7.352 -2.269 1.00 34.11 H new ATOM 0 HE3 LYS A 82 3.652 8.779 -2.891 1.00 34.11 H new ATOM 0 HZ1 LYS A 82 2.669 8.056 -0.814 1.00 40.23 H new ATOM 0 HZ2 LYS A 82 1.537 7.912 -2.071 1.00 40.23 H new ATOM 0 HZ3 LYS A 82 2.316 6.529 -1.468 1.00 40.23 H new ATOM 1290 N PRO A 83 3.467 3.962 -7.759 1.00 1.21 N ATOM 1291 CA PRO A 83 2.656 2.810 -8.163 1.00 53.10 C ATOM 1292 C PRO A 83 3.509 1.636 -8.631 1.00 33.12 C ATOM 1293 O PRO A 83 3.387 0.524 -8.115 1.00 44.45 O ATOM 1294 CB PRO A 83 1.816 3.356 -9.321 1.00 4.12 C ATOM 1295 CG PRO A 83 2.619 4.484 -9.872 1.00 30.23 C ATOM 1296 CD PRO A 83 3.343 5.088 -8.700 1.00 61.34 C ATOM 0 HA PRO A 83 2.064 2.419 -7.336 1.00 53.10 H new ATOM 0 HB2 PRO A 83 1.638 2.591 -10.076 1.00 4.12 H new ATOM 0 HB3 PRO A 83 0.840 3.696 -8.976 1.00 4.12 H new ATOM 0 HG2 PRO A 83 3.323 4.130 -10.625 1.00 30.23 H new ATOM 0 HG3 PRO A 83 1.977 5.220 -10.356 1.00 30.23 H new ATOM 0 HD2 PRO A 83 4.318 5.480 -8.989 1.00 61.34 H new ATOM 0 HD3 PRO A 83 2.783 5.916 -8.265 1.00 61.34 H new ATOM 1304 N ARG A 84 4.371 1.890 -9.609 1.00 63.13 N ATOM 1305 CA ARG A 84 5.244 0.853 -10.147 1.00 20.03 C ATOM 1306 C ARG A 84 5.868 0.031 -9.023 1.00 32.04 C ATOM 1307 O ARG A 84 6.145 -1.156 -9.189 1.00 32.51 O ATOM 1308 CB ARG A 84 6.344 1.478 -11.007 1.00 20.31 C ATOM 1309 CG ARG A 84 7.185 0.457 -11.756 1.00 20.11 C ATOM 1310 CD ARG A 84 8.551 0.280 -11.112 1.00 2.43 C ATOM 1311 NE ARG A 84 9.051 -1.085 -11.253 1.00 14.32 N ATOM 1312 CZ ARG A 84 9.581 -1.561 -12.374 1.00 32.23 C ATOM 1313 NH1 ARG A 84 9.680 -0.787 -13.445 1.00 44.32 N ATOM 1314 NH2 ARG A 84 10.013 -2.815 -12.424 1.00 41.41 N ATOM 0 H ARG A 84 4.484 2.805 -10.046 1.00 63.13 H new ATOM 0 HA ARG A 84 4.640 0.190 -10.767 1.00 20.03 H new ATOM 0 HB2 ARG A 84 5.889 2.159 -11.726 1.00 20.31 H new ATOM 0 HB3 ARG A 84 6.996 2.076 -10.370 1.00 20.31 H new ATOM 0 HG2 ARG A 84 6.664 -0.500 -11.776 1.00 20.11 H new ATOM 0 HG3 ARG A 84 7.308 0.775 -12.791 1.00 20.11 H new ATOM 0 HD2 ARG A 84 9.258 0.974 -11.566 1.00 2.43 H new ATOM 0 HD3 ARG A 84 8.489 0.536 -10.054 1.00 2.43 H new ATOM 0 HE ARG A 84 8.990 -1.707 -10.447 1.00 14.32 H new ATOM 0 HH11 ARG A 84 9.349 0.177 -13.410 1.00 44.32 H new ATOM 0 HH12 ARG A 84 10.087 -1.155 -14.304 1.00 44.32 H new ATOM 0 HH21 ARG A 84 9.938 -3.413 -11.601 1.00 41.41 H new ATOM 0 HH22 ARG A 84 10.420 -3.180 -13.285 1.00 41.41 H new ATOM 1328 N MET A 85 6.086 0.672 -7.879 1.00 23.20 N ATOM 1329 CA MET A 85 6.677 0.000 -6.727 1.00 72.54 C ATOM 1330 C MET A 85 5.594 -0.521 -5.788 1.00 11.15 C ATOM 1331 O MET A 85 5.669 -1.650 -5.301 1.00 51.12 O ATOM 1332 CB MET A 85 7.607 0.953 -5.975 1.00 14.14 C ATOM 1333 CG MET A 85 8.819 1.384 -6.783 1.00 64.05 C ATOM 1334 SD MET A 85 10.024 0.058 -6.989 1.00 1.22 S ATOM 1335 CE MET A 85 11.409 0.962 -7.677 1.00 13.54 C ATOM 0 H MET A 85 5.862 1.655 -7.725 1.00 23.20 H new ATOM 0 HA MET A 85 7.257 -0.849 -7.090 1.00 72.54 H new ATOM 0 HB2 MET A 85 7.044 1.838 -5.679 1.00 14.14 H new ATOM 0 HB3 MET A 85 7.945 0.469 -5.058 1.00 14.14 H new ATOM 0 HG2 MET A 85 8.493 1.729 -7.764 1.00 64.05 H new ATOM 0 HG3 MET A 85 9.297 2.231 -6.290 1.00 64.05 H new ATOM 0 HE1 MET A 85 12.236 0.276 -7.860 1.00 13.54 H new ATOM 0 HE2 MET A 85 11.109 1.428 -8.616 1.00 13.54 H new ATOM 0 HE3 MET A 85 11.726 1.733 -6.974 1.00 13.54 H new ATOM 1345 N THR A 86 4.587 0.309 -5.535 1.00 14.21 N ATOM 1346 CA THR A 86 3.489 -0.067 -4.652 1.00 45.43 C ATOM 1347 C THR A 86 2.426 -0.860 -5.404 1.00 4.24 C ATOM 1348 O THR A 86 2.188 -2.031 -5.109 1.00 63.30 O ATOM 1349 CB THR A 86 2.833 1.172 -4.013 1.00 24.32 C ATOM 1350 OG1 THR A 86 3.761 1.819 -3.135 1.00 42.31 O ATOM 1351 CG2 THR A 86 1.583 0.783 -3.239 1.00 73.32 C ATOM 0 H THR A 86 4.509 1.247 -5.929 1.00 14.21 H new ATOM 0 HA THR A 86 3.915 -0.690 -3.865 1.00 45.43 H new ATOM 0 HB THR A 86 2.549 1.858 -4.811 1.00 24.32 H new ATOM 0 HG1 THR A 86 4.298 2.462 -3.643 1.00 42.31 H new ATOM 0 HG21 THR A 86 1.137 1.674 -2.797 1.00 73.32 H new ATOM 0 HG22 THR A 86 0.867 0.316 -3.915 1.00 73.32 H new ATOM 0 HG23 THR A 86 1.848 0.080 -2.449 1.00 73.32 H new ATOM 1359 N TYR A 87 1.791 -0.215 -6.375 1.00 53.04 N ATOM 1360 CA TYR A 87 0.751 -0.860 -7.168 1.00 61.43 C ATOM 1361 C TYR A 87 1.203 -2.239 -7.641 1.00 1.15 C ATOM 1362 O TYR A 87 0.386 -3.135 -7.847 1.00 73.33 O ATOM 1363 CB TYR A 87 0.385 0.009 -8.373 1.00 22.15 C ATOM 1364 CG TYR A 87 -0.599 1.110 -8.048 1.00 21.12 C ATOM 1365 CD1 TYR A 87 -0.430 1.911 -6.925 1.00 24.31 C ATOM 1366 CD2 TYR A 87 -1.698 1.349 -8.863 1.00 32.10 C ATOM 1367 CE1 TYR A 87 -1.326 2.917 -6.624 1.00 14.52 C ATOM 1368 CE2 TYR A 87 -2.599 2.354 -8.570 1.00 52.35 C ATOM 1369 CZ TYR A 87 -2.409 3.136 -7.450 1.00 32.32 C ATOM 1370 OH TYR A 87 -3.305 4.137 -7.154 1.00 54.22 O ATOM 0 H TYR A 87 1.978 0.754 -6.632 1.00 53.04 H new ATOM 0 HA TYR A 87 -0.128 -0.982 -6.536 1.00 61.43 H new ATOM 0 HB2 TYR A 87 1.294 0.453 -8.779 1.00 22.15 H new ATOM 0 HB3 TYR A 87 -0.036 -0.625 -9.153 1.00 22.15 H new ATOM 0 HD1 TYR A 87 0.417 1.743 -6.276 1.00 24.31 H new ATOM 0 HD2 TYR A 87 -1.851 0.739 -9.741 1.00 32.10 H new ATOM 0 HE1 TYR A 87 -1.180 3.529 -5.746 1.00 14.52 H new ATOM 0 HE2 TYR A 87 -3.448 2.527 -9.215 1.00 52.35 H new ATOM 0 HH TYR A 87 -3.186 4.879 -7.783 1.00 54.22 H new ATOM 1380 N ALA A 88 2.512 -2.400 -7.808 1.00 54.03 N ATOM 1381 CA ALA A 88 3.074 -3.669 -8.253 1.00 42.13 C ATOM 1382 C ALA A 88 3.172 -4.661 -7.099 1.00 55.03 C ATOM 1383 O ALA A 88 2.543 -5.719 -7.123 1.00 13.10 O ATOM 1384 CB ALA A 88 4.443 -3.449 -8.879 1.00 43.53 C ATOM 0 H ALA A 88 3.202 -1.668 -7.642 1.00 54.03 H new ATOM 0 HA ALA A 88 2.406 -4.090 -9.004 1.00 42.13 H new ATOM 0 HB1 ALA A 88 4.851 -4.405 -9.207 1.00 43.53 H new ATOM 0 HB2 ALA A 88 4.348 -2.782 -9.736 1.00 43.53 H new ATOM 0 HB3 ALA A 88 5.112 -3.002 -8.143 1.00 43.53 H new ATOM 1390 N SER A 89 3.964 -4.313 -6.091 1.00 2.43 N ATOM 1391 CA SER A 89 4.147 -5.175 -4.929 1.00 63.23 C ATOM 1392 C SER A 89 2.810 -5.472 -4.257 1.00 63.31 C ATOM 1393 O SER A 89 2.665 -6.472 -3.553 1.00 44.41 O ATOM 1394 CB SER A 89 5.101 -4.521 -3.927 1.00 74.33 C ATOM 1395 OG SER A 89 6.437 -4.935 -4.150 1.00 64.14 O ATOM 0 H SER A 89 4.490 -3.440 -6.055 1.00 2.43 H new ATOM 0 HA SER A 89 4.579 -6.116 -5.270 1.00 63.23 H new ATOM 0 HB2 SER A 89 5.034 -3.436 -4.011 1.00 74.33 H new ATOM 0 HB3 SER A 89 4.801 -4.781 -2.912 1.00 74.33 H new ATOM 0 HG SER A 89 7.027 -4.502 -3.498 1.00 64.14 H new ATOM 1401 N SER A 90 1.836 -4.597 -4.480 1.00 15.50 N ATOM 1402 CA SER A 90 0.511 -4.762 -3.893 1.00 53.44 C ATOM 1403 C SER A 90 -0.318 -5.761 -4.695 1.00 44.01 C ATOM 1404 O SER A 90 -1.324 -6.281 -4.212 1.00 25.11 O ATOM 1405 CB SER A 90 -0.214 -3.416 -3.831 1.00 2.44 C ATOM 1406 OG SER A 90 -0.768 -3.075 -5.090 1.00 24.32 O ATOM 0 H SER A 90 1.939 -3.766 -5.063 1.00 15.50 H new ATOM 0 HA SER A 90 0.635 -5.148 -2.881 1.00 53.44 H new ATOM 0 HB2 SER A 90 -1.005 -3.460 -3.082 1.00 2.44 H new ATOM 0 HB3 SER A 90 0.482 -2.639 -3.514 1.00 2.44 H new ATOM 0 HG SER A 90 -1.672 -2.718 -4.964 1.00 24.32 H new ATOM 1412 N LYS A 91 0.113 -6.025 -5.924 1.00 74.02 N ATOM 1413 CA LYS A 91 -0.586 -6.963 -6.795 1.00 54.51 C ATOM 1414 C LYS A 91 -0.834 -8.288 -6.081 1.00 45.32 C ATOM 1415 O LYS A 91 -1.775 -9.012 -6.405 1.00 14.44 O ATOM 1416 CB LYS A 91 0.221 -7.202 -8.073 1.00 74.20 C ATOM 1417 CG LYS A 91 1.340 -8.215 -7.905 1.00 32.24 C ATOM 1418 CD LYS A 91 2.440 -8.007 -8.932 1.00 74.12 C ATOM 1419 CE LYS A 91 3.814 -8.273 -8.339 1.00 25.52 C ATOM 1420 NZ LYS A 91 4.680 -9.047 -9.271 1.00 25.41 N ATOM 0 H LYS A 91 0.943 -5.603 -6.339 1.00 74.02 H new ATOM 0 HA LYS A 91 -1.550 -6.527 -7.058 1.00 54.51 H new ATOM 0 HB2 LYS A 91 -0.452 -7.544 -8.859 1.00 74.20 H new ATOM 0 HB3 LYS A 91 0.646 -6.255 -8.407 1.00 74.20 H new ATOM 0 HG2 LYS A 91 1.758 -8.134 -6.902 1.00 32.24 H new ATOM 0 HG3 LYS A 91 0.937 -9.223 -8.002 1.00 32.24 H new ATOM 0 HD2 LYS A 91 2.275 -8.669 -9.782 1.00 74.12 H new ATOM 0 HD3 LYS A 91 2.397 -6.986 -9.310 1.00 74.12 H new ATOM 0 HE2 LYS A 91 4.295 -7.325 -8.099 1.00 25.52 H new ATOM 0 HE3 LYS A 91 3.706 -8.822 -7.404 1.00 25.52 H new ATOM 0 HZ1 LYS A 91 5.608 -9.208 -8.830 1.00 25.41 H new ATOM 0 HZ2 LYS A 91 4.233 -9.962 -9.481 1.00 25.41 H new ATOM 0 HZ3 LYS A 91 4.805 -8.512 -10.154 1.00 25.41 H new ATOM 1434 N ASP A 92 0.017 -8.598 -5.109 1.00 72.10 N ATOM 1435 CA ASP A 92 -0.111 -9.835 -4.347 1.00 71.25 C ATOM 1436 C ASP A 92 -1.532 -10.003 -3.818 1.00 2.23 C ATOM 1437 O ASP A 92 -2.014 -11.122 -3.650 1.00 71.51 O ATOM 1438 CB ASP A 92 0.884 -9.850 -3.186 1.00 45.45 C ATOM 1439 CG ASP A 92 1.980 -10.880 -3.376 1.00 44.24 C ATOM 1440 OD1 ASP A 92 2.562 -10.930 -4.480 1.00 73.42 O ATOM 1441 OD2 ASP A 92 2.256 -11.636 -2.421 1.00 63.13 O ATOM 0 H ASP A 92 0.803 -8.010 -4.830 1.00 72.10 H new ATOM 0 HA ASP A 92 0.110 -10.668 -5.015 1.00 71.25 H new ATOM 0 HB2 ASP A 92 1.332 -8.862 -3.083 1.00 45.45 H new ATOM 0 HB3 ASP A 92 0.352 -10.057 -2.258 1.00 45.45 H new ATOM 1446 N ALA A 93 -2.196 -8.882 -3.555 1.00 60.10 N ATOM 1447 CA ALA A 93 -3.561 -8.905 -3.045 1.00 53.12 C ATOM 1448 C ALA A 93 -4.573 -8.803 -4.181 1.00 53.43 C ATOM 1449 O ALA A 93 -5.474 -9.634 -4.301 1.00 31.21 O ATOM 1450 CB ALA A 93 -3.771 -7.777 -2.046 1.00 45.52 C ATOM 0 H ALA A 93 -1.811 -7.947 -3.687 1.00 60.10 H new ATOM 0 HA ALA A 93 -3.717 -9.857 -2.538 1.00 53.12 H new ATOM 0 HB1 ALA A 93 -4.795 -7.807 -1.674 1.00 45.52 H new ATOM 0 HB2 ALA A 93 -3.078 -7.895 -1.213 1.00 45.52 H new ATOM 0 HB3 ALA A 93 -3.590 -6.820 -2.535 1.00 45.52 H new ATOM 1456 N LEU A 94 -4.420 -7.778 -5.013 1.00 73.20 N ATOM 1457 CA LEU A 94 -5.322 -7.567 -6.140 1.00 42.43 C ATOM 1458 C LEU A 94 -5.531 -8.861 -6.920 1.00 54.42 C ATOM 1459 O LEU A 94 -6.662 -9.315 -7.098 1.00 35.04 O ATOM 1460 CB LEU A 94 -4.766 -6.484 -7.067 1.00 13.43 C ATOM 1461 CG LEU A 94 -4.720 -5.068 -6.492 1.00 2.54 C ATOM 1462 CD1 LEU A 94 -5.977 -4.776 -5.688 1.00 35.33 C ATOM 1463 CD2 LEU A 94 -3.479 -4.882 -5.630 1.00 71.23 C ATOM 0 H LEU A 94 -3.680 -7.081 -4.928 1.00 73.20 H new ATOM 0 HA LEU A 94 -6.285 -7.242 -5.747 1.00 42.43 H new ATOM 0 HB2 LEU A 94 -3.756 -6.769 -7.360 1.00 13.43 H new ATOM 0 HB3 LEU A 94 -5.369 -6.467 -7.975 1.00 13.43 H new ATOM 0 HG LEU A 94 -4.672 -4.362 -7.321 1.00 2.54 H new ATOM 0 HD11 LEU A 94 -5.925 -3.764 -5.287 1.00 35.33 H new ATOM 0 HD12 LEU A 94 -6.851 -4.867 -6.333 1.00 35.33 H new ATOM 0 HD13 LEU A 94 -6.057 -5.488 -4.867 1.00 35.33 H new ATOM 0 HD21 LEU A 94 -3.463 -3.868 -5.229 1.00 71.23 H new ATOM 0 HD22 LEU A 94 -3.497 -5.597 -4.808 1.00 71.23 H new ATOM 0 HD23 LEU A 94 -2.588 -5.047 -6.235 1.00 71.23 H new ATOM 1475 N LEU A 95 -4.435 -9.451 -7.382 1.00 43.24 N ATOM 1476 CA LEU A 95 -4.497 -10.695 -8.142 1.00 15.21 C ATOM 1477 C LEU A 95 -5.199 -11.787 -7.341 1.00 12.11 C ATOM 1478 O LEU A 95 -5.874 -12.649 -7.904 1.00 64.23 O ATOM 1479 CB LEU A 95 -3.089 -11.153 -8.525 1.00 53.34 C ATOM 1480 CG LEU A 95 -2.513 -10.549 -9.807 1.00 2.14 C ATOM 1481 CD1 LEU A 95 -0.998 -10.684 -9.826 1.00 32.40 C ATOM 1482 CD2 LEU A 95 -3.125 -11.213 -11.031 1.00 52.54 C ATOM 0 H LEU A 95 -3.492 -9.088 -7.244 1.00 43.24 H new ATOM 0 HA LEU A 95 -5.071 -10.509 -9.050 1.00 15.21 H new ATOM 0 HB2 LEU A 95 -2.415 -10.917 -7.701 1.00 53.34 H new ATOM 0 HB3 LEU A 95 -3.097 -12.238 -8.630 1.00 53.34 H new ATOM 0 HG LEU A 95 -2.763 -9.488 -9.831 1.00 2.14 H new ATOM 0 HD11 LEU A 95 -0.605 -10.249 -10.745 1.00 32.40 H new ATOM 0 HD12 LEU A 95 -0.575 -10.161 -8.968 1.00 32.40 H new ATOM 0 HD13 LEU A 95 -0.726 -11.738 -9.779 1.00 32.40 H new ATOM 0 HD21 LEU A 95 -2.704 -10.771 -11.934 1.00 52.54 H new ATOM 0 HD22 LEU A 95 -2.906 -12.281 -11.014 1.00 52.54 H new ATOM 0 HD23 LEU A 95 -4.205 -11.064 -11.024 1.00 52.54 H new ATOM 1494 N LYS A 96 -5.038 -11.743 -6.023 1.00 23.12 N ATOM 1495 CA LYS A 96 -5.658 -12.726 -5.142 1.00 41.04 C ATOM 1496 C LYS A 96 -7.108 -12.354 -4.848 1.00 24.42 C ATOM 1497 O LYS A 96 -7.860 -13.148 -4.282 1.00 54.05 O ATOM 1498 CB LYS A 96 -4.872 -12.836 -3.834 1.00 34.24 C ATOM 1499 CG LYS A 96 -3.725 -13.829 -3.895 1.00 23.22 C ATOM 1500 CD LYS A 96 -2.787 -13.527 -5.052 1.00 0.05 C ATOM 1501 CE LYS A 96 -3.150 -14.334 -6.289 1.00 25.35 C ATOM 1502 NZ LYS A 96 -2.068 -15.285 -6.667 1.00 44.13 N ATOM 0 H LYS A 96 -4.483 -11.036 -5.541 1.00 23.12 H new ATOM 0 HA LYS A 96 -5.645 -13.691 -5.648 1.00 41.04 H new ATOM 0 HB2 LYS A 96 -4.478 -11.854 -3.573 1.00 34.24 H new ATOM 0 HB3 LYS A 96 -5.553 -13.129 -3.035 1.00 34.24 H new ATOM 0 HG2 LYS A 96 -3.169 -13.802 -2.958 1.00 23.22 H new ATOM 0 HG3 LYS A 96 -4.122 -14.839 -4.001 1.00 23.22 H new ATOM 0 HD2 LYS A 96 -2.827 -12.463 -5.286 1.00 0.05 H new ATOM 0 HD3 LYS A 96 -1.761 -13.751 -4.758 1.00 0.05 H new ATOM 0 HE2 LYS A 96 -4.071 -14.887 -6.105 1.00 25.35 H new ATOM 0 HE3 LYS A 96 -3.345 -13.657 -7.120 1.00 25.35 H new ATOM 0 HZ1 LYS A 96 -2.353 -15.816 -7.514 1.00 44.13 H new ATOM 0 HZ2 LYS A 96 -1.195 -14.756 -6.867 1.00 44.13 H new ATOM 0 HZ3 LYS A 96 -1.899 -15.948 -5.884 1.00 44.13 H new ATOM 1516 N LYS A 97 -7.494 -11.144 -5.236 1.00 2.34 N ATOM 1517 CA LYS A 97 -8.854 -10.667 -5.016 1.00 32.10 C ATOM 1518 C LYS A 97 -9.679 -10.766 -6.295 1.00 63.54 C ATOM 1519 O LYS A 97 -10.593 -9.973 -6.520 1.00 14.41 O ATOM 1520 CB LYS A 97 -8.836 -9.219 -4.520 1.00 24.52 C ATOM 1521 CG LYS A 97 -8.901 -9.094 -3.008 1.00 13.14 C ATOM 1522 CD LYS A 97 -7.753 -9.829 -2.337 1.00 1.44 C ATOM 1523 CE LYS A 97 -8.257 -10.828 -1.307 1.00 24.22 C ATOM 1524 NZ LYS A 97 -7.141 -11.422 -0.518 1.00 54.23 N ATOM 0 H LYS A 97 -6.884 -10.475 -5.705 1.00 2.34 H new ATOM 0 HA LYS A 97 -9.315 -11.299 -4.257 1.00 32.10 H new ATOM 0 HB2 LYS A 97 -7.929 -8.732 -4.878 1.00 24.52 H new ATOM 0 HB3 LYS A 97 -9.679 -8.683 -4.957 1.00 24.52 H new ATOM 0 HG2 LYS A 97 -8.873 -8.041 -2.728 1.00 13.14 H new ATOM 0 HG3 LYS A 97 -9.849 -9.494 -2.650 1.00 13.14 H new ATOM 0 HD2 LYS A 97 -7.162 -10.349 -3.091 1.00 1.44 H new ATOM 0 HD3 LYS A 97 -7.092 -9.110 -1.854 1.00 1.44 H new ATOM 0 HE2 LYS A 97 -8.955 -10.333 -0.632 1.00 24.22 H new ATOM 0 HE3 LYS A 97 -8.809 -11.622 -1.811 1.00 24.22 H new ATOM 0 HZ1 LYS A 97 -7.509 -11.788 0.383 1.00 54.23 H new ATOM 0 HZ2 LYS A 97 -6.710 -12.200 -1.058 1.00 54.23 H new ATOM 0 HZ3 LYS A 97 -6.424 -10.693 -0.328 1.00 54.23 H new ATOM 1538 N LEU A 98 -9.351 -11.746 -7.130 1.00 63.24 N ATOM 1539 CA LEU A 98 -10.062 -11.951 -8.387 1.00 53.54 C ATOM 1540 C LEU A 98 -10.346 -13.431 -8.618 1.00 61.41 C ATOM 1541 O LEU A 98 -10.055 -14.270 -7.765 1.00 12.34 O ATOM 1542 CB LEU A 98 -9.249 -11.388 -9.554 1.00 41.51 C ATOM 1543 CG LEU A 98 -8.832 -9.921 -9.436 1.00 22.23 C ATOM 1544 CD1 LEU A 98 -7.817 -9.566 -10.512 1.00 33.24 C ATOM 1545 CD2 LEU A 98 -10.048 -9.012 -9.526 1.00 54.45 C ATOM 0 H LEU A 98 -8.597 -12.411 -6.959 1.00 63.24 H new ATOM 0 HA LEU A 98 -11.014 -11.423 -8.327 1.00 53.54 H new ATOM 0 HB2 LEU A 98 -8.349 -11.993 -9.669 1.00 41.51 H new ATOM 0 HB3 LEU A 98 -9.832 -11.507 -10.467 1.00 41.51 H new ATOM 0 HG LEU A 98 -8.365 -9.773 -8.462 1.00 22.23 H new ATOM 0 HD11 LEU A 98 -7.532 -8.519 -10.412 1.00 33.24 H new ATOM 0 HD12 LEU A 98 -6.933 -10.195 -10.400 1.00 33.24 H new ATOM 0 HD13 LEU A 98 -8.257 -9.730 -11.496 1.00 33.24 H new ATOM 0 HD21 LEU A 98 -9.732 -7.972 -9.440 1.00 54.45 H new ATOM 0 HD22 LEU A 98 -10.545 -9.162 -10.485 1.00 54.45 H new ATOM 0 HD23 LEU A 98 -10.740 -9.249 -8.718 1.00 54.45 H new ATOM 1557 N ASP A 99 -10.913 -13.746 -9.777 1.00 61.15 N ATOM 1558 CA ASP A 99 -11.233 -15.126 -10.122 1.00 62.54 C ATOM 1559 C ASP A 99 -10.679 -15.485 -11.498 1.00 21.22 C ATOM 1560 O ASP A 99 -11.247 -15.113 -12.523 1.00 40.45 O ATOM 1561 CB ASP A 99 -12.747 -15.344 -10.096 1.00 5.40 C ATOM 1562 CG ASP A 99 -13.158 -16.434 -9.126 1.00 52.32 C ATOM 1563 OD1 ASP A 99 -13.020 -17.624 -9.479 1.00 15.44 O ATOM 1564 OD2 ASP A 99 -13.619 -16.097 -8.015 1.00 61.01 O ATOM 0 H ASP A 99 -11.161 -13.064 -10.494 1.00 61.15 H new ATOM 0 HA ASP A 99 -10.768 -15.776 -9.381 1.00 62.54 H new ATOM 0 HB2 ASP A 99 -13.241 -14.412 -9.821 1.00 5.40 H new ATOM 0 HB3 ASP A 99 -13.091 -15.604 -11.097 1.00 5.40 H new ATOM 1569 N GLY A 100 -9.565 -16.211 -11.511 1.00 3.21 N ATOM 1570 CA GLY A 100 -8.952 -16.607 -12.765 1.00 41.45 C ATOM 1571 C GLY A 100 -7.847 -15.661 -13.195 1.00 34.42 C ATOM 1572 O GLY A 100 -7.008 -16.013 -14.023 1.00 42.41 O ATOM 0 H GLY A 100 -9.076 -16.532 -10.675 1.00 3.21 H new ATOM 0 HA2 GLY A 100 -8.546 -17.614 -12.665 1.00 41.45 H new ATOM 0 HA3 GLY A 100 -9.715 -16.647 -13.542 1.00 41.45 H new ATOM 1576 N ALA A 101 -7.849 -14.458 -12.631 1.00 45.34 N ATOM 1577 CA ALA A 101 -6.839 -13.459 -12.961 1.00 21.25 C ATOM 1578 C ALA A 101 -5.433 -14.036 -12.829 1.00 53.20 C ATOM 1579 O ALA A 101 -4.907 -14.172 -11.724 1.00 34.51 O ATOM 1580 CB ALA A 101 -6.995 -12.236 -12.069 1.00 35.53 C ATOM 0 H ALA A 101 -8.538 -14.151 -11.944 1.00 45.34 H new ATOM 0 HA ALA A 101 -6.985 -13.159 -13.999 1.00 21.25 H new ATOM 0 HB1 ALA A 101 -6.235 -11.499 -12.326 1.00 35.53 H new ATOM 0 HB2 ALA A 101 -7.985 -11.803 -12.215 1.00 35.53 H new ATOM 0 HB3 ALA A 101 -6.878 -12.529 -11.026 1.00 35.53 H new ATOM 1586 N THR A 102 -4.829 -14.374 -13.964 1.00 4.22 N ATOM 1587 CA THR A 102 -3.485 -14.937 -13.975 1.00 63.52 C ATOM 1588 C THR A 102 -2.434 -13.851 -14.176 1.00 14.03 C ATOM 1589 O THR A 102 -2.726 -12.662 -14.052 1.00 54.12 O ATOM 1590 CB THR A 102 -3.329 -15.997 -15.083 1.00 11.43 C ATOM 1591 OG1 THR A 102 -3.230 -15.358 -16.361 1.00 31.24 O ATOM 1592 CG2 THR A 102 -4.507 -16.959 -15.081 1.00 14.23 C ATOM 0 H THR A 102 -5.249 -14.268 -14.887 1.00 4.22 H new ATOM 0 HA THR A 102 -3.333 -15.410 -13.005 1.00 63.52 H new ATOM 0 HB THR A 102 -2.418 -16.563 -14.889 1.00 11.43 H new ATOM 0 HG1 THR A 102 -3.129 -16.038 -17.060 1.00 31.24 H new ATOM 0 HG21 THR A 102 -4.375 -17.698 -15.871 1.00 14.23 H new ATOM 0 HG22 THR A 102 -4.562 -17.465 -14.117 1.00 14.23 H new ATOM 0 HG23 THR A 102 -5.430 -16.405 -15.253 1.00 14.23 H new ATOM 1600 N ALA A 103 -1.211 -14.267 -14.486 1.00 71.13 N ATOM 1601 CA ALA A 103 -0.118 -13.329 -14.707 1.00 1.43 C ATOM 1602 C ALA A 103 -0.146 -12.777 -16.128 1.00 14.51 C ATOM 1603 O ALA A 103 0.780 -12.087 -16.556 1.00 33.43 O ATOM 1604 CB ALA A 103 1.219 -14.000 -14.426 1.00 15.53 C ATOM 0 H ALA A 103 -0.952 -15.248 -14.590 1.00 71.13 H new ATOM 0 HA ALA A 103 -0.245 -12.494 -14.018 1.00 1.43 H new ATOM 0 HB1 ALA A 103 2.026 -13.288 -14.595 1.00 15.53 H new ATOM 0 HB2 ALA A 103 1.245 -14.339 -13.390 1.00 15.53 H new ATOM 0 HB3 ALA A 103 1.344 -14.855 -15.091 1.00 15.53 H new ATOM 1610 N VAL A 104 -1.215 -13.084 -16.856 1.00 70.41 N ATOM 1611 CA VAL A 104 -1.364 -12.619 -18.230 1.00 12.54 C ATOM 1612 C VAL A 104 -1.478 -11.099 -18.285 1.00 61.34 C ATOM 1613 O VAL A 104 -1.365 -10.497 -19.353 1.00 33.04 O ATOM 1614 CB VAL A 104 -2.603 -13.240 -18.902 1.00 20.04 C ATOM 1615 CG1 VAL A 104 -3.874 -12.798 -18.192 1.00 23.53 C ATOM 1616 CG2 VAL A 104 -2.650 -12.870 -20.376 1.00 74.34 C ATOM 0 H VAL A 104 -1.991 -13.653 -16.517 1.00 70.41 H new ATOM 0 HA VAL A 104 -0.471 -12.934 -18.770 1.00 12.54 H new ATOM 0 HB VAL A 104 -2.531 -14.325 -18.825 1.00 20.04 H new ATOM 0 HG11 VAL A 104 -4.739 -13.247 -18.681 1.00 23.53 H new ATOM 0 HG12 VAL A 104 -3.839 -13.118 -17.151 1.00 23.53 H new ATOM 0 HG13 VAL A 104 -3.956 -11.712 -18.235 1.00 23.53 H new ATOM 0 HG21 VAL A 104 -3.532 -13.317 -20.835 1.00 74.34 H new ATOM 0 HG22 VAL A 104 -2.698 -11.786 -20.478 1.00 74.34 H new ATOM 0 HG23 VAL A 104 -1.754 -13.242 -20.873 1.00 74.34 H new ATOM 1626 N ALA A 105 -1.701 -10.485 -17.128 1.00 72.21 N ATOM 1627 CA ALA A 105 -1.828 -9.036 -17.044 1.00 45.54 C ATOM 1628 C ALA A 105 -0.586 -8.343 -17.597 1.00 73.54 C ATOM 1629 O ALA A 105 0.539 -8.667 -17.215 1.00 43.45 O ATOM 1630 CB ALA A 105 -2.074 -8.610 -15.605 1.00 15.52 C ATOM 0 H ALA A 105 -1.797 -10.969 -16.235 1.00 72.21 H new ATOM 0 HA ALA A 105 -2.682 -8.735 -17.652 1.00 45.54 H new ATOM 0 HB1 ALA A 105 -2.167 -7.525 -15.558 1.00 15.52 H new ATOM 0 HB2 ALA A 105 -2.993 -9.069 -15.242 1.00 15.52 H new ATOM 0 HB3 ALA A 105 -1.238 -8.930 -14.983 1.00 15.52 H new ATOM 1636 N LEU A 106 -0.798 -7.391 -18.499 1.00 0.02 N ATOM 1637 CA LEU A 106 0.305 -6.653 -19.105 1.00 75.04 C ATOM 1638 C LEU A 106 0.428 -5.260 -18.496 1.00 71.13 C ATOM 1639 O LEU A 106 -0.495 -4.451 -18.583 1.00 40.11 O ATOM 1640 CB LEU A 106 0.101 -6.545 -20.618 1.00 13.44 C ATOM 1641 CG LEU A 106 1.364 -6.639 -21.474 1.00 21.53 C ATOM 1642 CD1 LEU A 106 2.334 -5.523 -21.119 1.00 23.50 C ATOM 1643 CD2 LEU A 106 2.025 -7.999 -21.300 1.00 3.03 C ATOM 0 H LEU A 106 -1.723 -7.112 -18.827 1.00 0.02 H new ATOM 0 HA LEU A 106 1.228 -7.198 -18.907 1.00 75.04 H new ATOM 0 HB2 LEU A 106 -0.584 -7.334 -20.929 1.00 13.44 H new ATOM 0 HB3 LEU A 106 -0.389 -5.595 -20.831 1.00 13.44 H new ATOM 0 HG LEU A 106 1.081 -6.526 -22.520 1.00 21.53 H new ATOM 0 HD11 LEU A 106 3.227 -5.606 -21.739 1.00 23.50 H new ATOM 0 HD12 LEU A 106 1.859 -4.558 -21.295 1.00 23.50 H new ATOM 0 HD13 LEU A 106 2.613 -5.604 -20.068 1.00 23.50 H new ATOM 0 HD21 LEU A 106 2.923 -8.049 -21.916 1.00 3.03 H new ATOM 0 HD22 LEU A 106 2.295 -8.141 -20.254 1.00 3.03 H new ATOM 0 HD23 LEU A 106 1.331 -8.782 -21.605 1.00 3.03 H new ATOM 1655 N GLU A 107 1.575 -4.988 -17.882 1.00 40.20 N ATOM 1656 CA GLU A 107 1.819 -3.692 -17.260 1.00 13.31 C ATOM 1657 C GLU A 107 2.786 -2.859 -18.097 1.00 74.54 C ATOM 1658 O GLU A 107 4.001 -3.029 -18.013 1.00 24.35 O ATOM 1659 CB GLU A 107 2.378 -3.876 -15.848 1.00 3.02 C ATOM 1660 CG GLU A 107 3.559 -4.830 -15.781 1.00 3.43 C ATOM 1661 CD GLU A 107 3.225 -6.123 -15.064 1.00 33.23 C ATOM 1662 OE1 GLU A 107 2.613 -6.057 -13.977 1.00 32.10 O ATOM 1663 OE2 GLU A 107 3.574 -7.201 -15.589 1.00 5.24 O ATOM 0 H GLU A 107 2.349 -5.647 -17.802 1.00 40.20 H new ATOM 0 HA GLU A 107 0.868 -3.162 -17.201 1.00 13.31 H new ATOM 0 HB2 GLU A 107 2.683 -2.905 -15.458 1.00 3.02 H new ATOM 0 HB3 GLU A 107 1.585 -4.246 -15.198 1.00 3.02 H new ATOM 0 HG2 GLU A 107 3.896 -5.057 -16.793 1.00 3.43 H new ATOM 0 HG3 GLU A 107 4.388 -4.340 -15.271 1.00 3.43 H new ATOM 1670 N ALA A 108 2.235 -1.960 -18.906 1.00 43.03 N ATOM 1671 CA ALA A 108 3.048 -1.100 -19.758 1.00 72.31 C ATOM 1672 C ALA A 108 2.433 0.290 -19.881 1.00 72.33 C ATOM 1673 O ALA A 108 1.213 0.448 -19.814 1.00 44.24 O ATOM 1674 CB ALA A 108 3.217 -1.728 -21.134 1.00 21.45 C ATOM 0 H ALA A 108 1.230 -1.808 -18.989 1.00 43.03 H new ATOM 0 HA ALA A 108 4.029 -0.995 -19.295 1.00 72.31 H new ATOM 0 HB1 ALA A 108 3.826 -1.075 -21.760 1.00 21.45 H new ATOM 0 HB2 ALA A 108 3.708 -2.696 -21.034 1.00 21.45 H new ATOM 0 HB3 ALA A 108 2.239 -1.863 -21.595 1.00 21.45 H new ATOM 1680 N HIS A 109 3.284 1.295 -20.061 1.00 21.42 N ATOM 1681 CA HIS A 109 2.824 2.672 -20.193 1.00 54.32 C ATOM 1682 C HIS A 109 3.080 3.198 -21.602 1.00 64.13 C ATOM 1683 O HIS A 109 4.209 3.547 -21.948 1.00 34.10 O ATOM 1684 CB HIS A 109 3.521 3.566 -19.168 1.00 4.32 C ATOM 1685 CG HIS A 109 5.015 3.466 -19.203 1.00 64.45 C ATOM 1686 ND1 HIS A 109 5.822 4.434 -19.763 1.00 12.12 N ATOM 1687 CD2 HIS A 109 5.849 2.504 -18.743 1.00 61.32 C ATOM 1688 CE1 HIS A 109 7.087 4.072 -19.647 1.00 32.43 C ATOM 1689 NE2 HIS A 109 7.131 2.904 -19.031 1.00 72.20 N ATOM 0 H HIS A 109 4.296 1.181 -20.119 1.00 21.42 H new ATOM 0 HA HIS A 109 1.750 2.689 -20.007 1.00 54.32 H new ATOM 0 HB2 HIS A 109 3.230 4.602 -19.344 1.00 4.32 H new ATOM 0 HB3 HIS A 109 3.171 3.302 -18.170 1.00 4.32 H new ATOM 0 HD2 HIS A 109 5.560 1.592 -18.243 1.00 61.32 H new ATOM 0 HE1 HIS A 109 7.940 4.635 -19.996 1.00 32.43 H new ATOM 0 HE2 HIS A 109 7.979 2.384 -18.806 1.00 72.20 H new ATOM 1697 N GLU A 110 2.026 3.250 -22.411 1.00 3.55 N ATOM 1698 CA GLU A 110 2.139 3.732 -23.782 1.00 64.02 C ATOM 1699 C GLU A 110 0.773 4.127 -24.335 1.00 10.44 C ATOM 1700 O GLU A 110 -0.226 3.452 -24.090 1.00 70.31 O ATOM 1701 CB GLU A 110 2.771 2.659 -24.672 1.00 54.44 C ATOM 1702 CG GLU A 110 2.405 1.241 -24.269 1.00 31.13 C ATOM 1703 CD GLU A 110 2.540 0.255 -25.413 1.00 42.42 C ATOM 1704 OE1 GLU A 110 3.259 0.571 -26.385 1.00 33.31 O ATOM 1705 OE2 GLU A 110 1.928 -0.830 -25.338 1.00 21.34 O ATOM 0 H GLU A 110 1.085 2.964 -22.140 1.00 3.55 H new ATOM 0 HA GLU A 110 2.779 4.615 -23.778 1.00 64.02 H new ATOM 0 HB2 GLU A 110 2.461 2.826 -25.704 1.00 54.44 H new ATOM 0 HB3 GLU A 110 3.855 2.767 -24.643 1.00 54.44 H new ATOM 0 HG2 GLU A 110 3.045 0.925 -23.445 1.00 31.13 H new ATOM 0 HG3 GLU A 110 1.379 1.226 -23.900 1.00 31.13 H new ATOM 1712 N MET A 111 0.738 5.227 -25.080 1.00 43.10 N ATOM 1713 CA MET A 111 -0.505 5.713 -25.668 1.00 20.53 C ATOM 1714 C MET A 111 -1.087 4.685 -26.634 1.00 12.45 C ATOM 1715 O MET A 111 -2.269 4.736 -26.971 1.00 13.35 O ATOM 1716 CB MET A 111 -0.267 7.037 -26.396 1.00 21.22 C ATOM 1717 CG MET A 111 -1.481 7.536 -27.163 1.00 20.45 C ATOM 1718 SD MET A 111 -1.295 9.238 -27.727 1.00 64.23 S ATOM 1719 CE MET A 111 -2.920 9.896 -27.362 1.00 20.41 C ATOM 0 H MET A 111 1.556 5.799 -25.291 1.00 43.10 H new ATOM 0 HA MET A 111 -1.221 5.874 -24.862 1.00 20.53 H new ATOM 0 HB2 MET A 111 0.030 7.793 -25.669 1.00 21.22 H new ATOM 0 HB3 MET A 111 0.566 6.917 -27.089 1.00 21.22 H new ATOM 0 HG2 MET A 111 -1.653 6.889 -28.023 1.00 20.45 H new ATOM 0 HG3 MET A 111 -2.363 7.462 -26.527 1.00 20.45 H new ATOM 0 HE1 MET A 111 -2.962 10.945 -27.656 1.00 20.41 H new ATOM 0 HE2 MET A 111 -3.673 9.334 -27.915 1.00 20.41 H new ATOM 0 HE3 MET A 111 -3.116 9.810 -26.293 1.00 20.41 H new ATOM 1729 N GLY A 112 -0.248 3.753 -27.076 1.00 15.21 N ATOM 1730 CA GLY A 112 -0.699 2.728 -27.999 1.00 22.11 C ATOM 1731 C GLY A 112 -1.582 1.693 -27.330 1.00 64.02 C ATOM 1732 O GLY A 112 -2.335 0.985 -27.999 1.00 21.35 O ATOM 0 H GLY A 112 0.735 3.690 -26.812 1.00 15.21 H new ATOM 0 HA2 GLY A 112 -1.248 3.196 -28.816 1.00 22.11 H new ATOM 0 HA3 GLY A 112 0.167 2.233 -28.439 1.00 22.11 H new ATOM 1736 N ASP A 113 -1.488 1.603 -26.008 1.00 51.51 N ATOM 1737 CA ASP A 113 -2.284 0.647 -25.248 1.00 73.34 C ATOM 1738 C ASP A 113 -3.775 0.925 -25.417 1.00 62.20 C ATOM 1739 O ASP A 113 -4.593 0.004 -25.418 1.00 21.13 O ATOM 1740 CB ASP A 113 -1.907 0.700 -23.767 1.00 34.30 C ATOM 1741 CG ASP A 113 -2.063 -0.644 -23.082 1.00 3.33 C ATOM 1742 OD1 ASP A 113 -3.209 -1.011 -22.750 1.00 10.13 O ATOM 1743 OD2 ASP A 113 -1.038 -1.328 -22.876 1.00 42.55 O ATOM 0 H ASP A 113 -0.868 2.181 -25.440 1.00 51.51 H new ATOM 0 HA ASP A 113 -2.073 -0.351 -25.633 1.00 73.34 H new ATOM 0 HB2 ASP A 113 -0.875 1.037 -23.669 1.00 34.30 H new ATOM 0 HB3 ASP A 113 -2.532 1.437 -23.262 1.00 34.30 H new ATOM 1748 N LEU A 114 -4.121 2.199 -25.559 1.00 11.42 N ATOM 1749 CA LEU A 114 -5.514 2.600 -25.727 1.00 62.43 C ATOM 1750 C LEU A 114 -5.734 3.243 -27.093 1.00 11.15 C ATOM 1751 O LEU A 114 -6.806 3.779 -27.371 1.00 50.42 O ATOM 1752 CB LEU A 114 -5.923 3.573 -24.620 1.00 62.31 C ATOM 1753 CG LEU A 114 -4.849 4.563 -24.166 1.00 75.33 C ATOM 1754 CD1 LEU A 114 -5.479 5.890 -23.774 1.00 53.32 C ATOM 1755 CD2 LEU A 114 -4.049 3.987 -23.007 1.00 41.13 C ATOM 0 H LEU A 114 -3.456 2.973 -25.561 1.00 11.42 H new ATOM 0 HA LEU A 114 -6.134 1.706 -25.663 1.00 62.43 H new ATOM 0 HB2 LEU A 114 -6.789 4.139 -24.963 1.00 62.31 H new ATOM 0 HB3 LEU A 114 -6.244 2.993 -23.754 1.00 62.31 H new ATOM 0 HG LEU A 114 -4.168 4.739 -24.999 1.00 75.33 H new ATOM 0 HD11 LEU A 114 -4.700 6.582 -23.454 1.00 53.32 H new ATOM 0 HD12 LEU A 114 -6.007 6.309 -24.630 1.00 53.32 H new ATOM 0 HD13 LEU A 114 -6.182 5.731 -22.956 1.00 53.32 H new ATOM 0 HD21 LEU A 114 -3.289 4.705 -22.697 1.00 41.13 H new ATOM 0 HD22 LEU A 114 -4.717 3.781 -22.171 1.00 41.13 H new ATOM 0 HD23 LEU A 114 -3.567 3.062 -23.322 1.00 41.13 H new