USER MOD reduce.3.24.130724 H: found=0, std=0, add=544, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 544 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 Single : A 1 GLY N :NH3+ -106:sc= 1.27 (180deg=-0.221) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 GLN : amide:sc= -1.79 X(o=-1.8,f=-1.5!) USER MOD Single : A 7 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ -129:sc= -0.165 (180deg=-2.05!) USER MOD Single : A 19 LYS NZ :NH3+ -165:sc= -0.0807 (180deg=-0.317) USER MOD Single : A 21 LYS NZ :NH3+ 161:sc= -1.26 (180deg=-2.28!) USER MOD Single : A 25 TYR OH : rot 84:sc= -0.636! USER MOD Single : A 30 LYS NZ :NH3+ 160:sc= -1.91! (180deg=-3.16!) USER MOD Single : A 35 CYS SG : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 HIS : no HE2:sc= -5.73! C(o=-5.7!,f=-7.6!) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : B 1 ALA N :NH3+ -109:sc= 0.00644 (180deg=0) USER MOD Single : B 5 THR OG1 : rot 180:sc= 0 USER MOD Single : B 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 11 LYS NZ :NH3+ -169:sc= -2.3! (180deg=-2.44!) USER MOD Single : B 14 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 8.402 2.197 -6.738 1.00 2.97 N ATOM 2 CA GLY A 1 9.849 2.252 -7.088 1.00 2.83 C ATOM 3 C GLY A 1 10.501 3.557 -6.672 1.00 2.42 C ATOM 4 O GLY A 1 11.427 4.030 -7.331 1.00 2.48 O ATOM 0 H1 GLY A 1 8.265 1.561 -5.926 1.00 2.97 H new ATOM 0 H2 GLY A 1 8.068 3.151 -6.491 1.00 2.97 H new ATOM 0 H3 GLY A 1 7.861 1.840 -7.552 1.00 2.97 H new ATOM 0 HA2 GLY A 1 10.367 1.422 -6.607 1.00 2.83 H new ATOM 0 HA3 GLY A 1 9.964 2.119 -8.164 1.00 2.83 H new ATOM 10 N SER A 2 10.028 4.135 -5.571 1.00 2.16 N ATOM 11 CA SER A 2 10.573 5.396 -5.073 1.00 2.05 C ATOM 12 C SER A 2 9.824 5.869 -3.840 1.00 1.75 C ATOM 13 O SER A 2 10.407 6.484 -2.947 1.00 1.62 O ATOM 14 CB SER A 2 10.524 6.467 -6.160 1.00 2.84 C ATOM 15 OG SER A 2 9.201 6.664 -6.625 1.00 3.15 O ATOM 0 H SER A 2 9.270 3.751 -5.007 1.00 2.16 H new ATOM 0 HA SER A 2 11.612 5.222 -4.795 1.00 2.05 H new ATOM 0 HB2 SER A 2 10.918 7.405 -5.768 1.00 2.84 H new ATOM 0 HB3 SER A 2 11.165 6.174 -6.992 1.00 2.84 H new ATOM 0 HG SER A 2 9.198 7.356 -7.319 1.00 3.15 H new ATOM 21 N GLN A 3 8.534 5.582 -3.789 1.00 1.94 N ATOM 22 CA GLN A 3 7.729 5.966 -2.650 1.00 1.65 C ATOM 23 C GLN A 3 7.771 4.872 -1.600 1.00 1.12 C ATOM 24 O GLN A 3 7.850 3.686 -1.924 1.00 1.83 O ATOM 25 CB GLN A 3 6.290 6.235 -3.075 1.00 2.43 C ATOM 26 CG GLN A 3 6.130 7.466 -3.953 1.00 3.29 C ATOM 27 CD GLN A 3 6.576 8.739 -3.260 1.00 4.00 C ATOM 28 OE1 GLN A 3 6.497 8.855 -2.037 1.00 4.57 O ATOM 29 NE2 GLN A 3 7.045 9.705 -4.042 1.00 4.45 N ATOM 0 H GLN A 3 8.027 5.086 -4.522 1.00 1.94 H new ATOM 0 HA GLN A 3 8.137 6.884 -2.226 1.00 1.65 H new ATOM 0 HB2 GLN A 3 5.911 5.365 -3.612 1.00 2.43 H new ATOM 0 HB3 GLN A 3 5.674 6.353 -2.184 1.00 2.43 H new ATOM 0 HG2 GLN A 3 6.708 7.333 -4.867 1.00 3.29 H new ATOM 0 HG3 GLN A 3 5.085 7.564 -4.248 1.00 3.29 H new ATOM 0 HE21 GLN A 3 7.093 9.566 -5.051 1.00 4.45 H new ATOM 0 HE22 GLN A 3 7.357 10.586 -3.633 1.00 4.45 H new ATOM 38 N VAL A 4 7.717 5.273 -0.342 1.00 0.52 N ATOM 39 CA VAL A 4 7.751 4.334 0.763 1.00 1.23 C ATOM 40 C VAL A 4 6.339 3.890 1.121 1.00 1.08 C ATOM 41 O VAL A 4 5.969 3.840 2.292 1.00 1.66 O ATOM 42 CB VAL A 4 8.429 4.956 1.999 1.00 2.03 C ATOM 43 CG1 VAL A 4 7.634 6.153 2.505 1.00 3.08 C ATOM 44 CG2 VAL A 4 8.606 3.920 3.097 1.00 2.57 C ATOM 0 H VAL A 4 7.649 6.251 -0.060 1.00 0.52 H new ATOM 0 HA VAL A 4 8.333 3.468 0.449 1.00 1.23 H new ATOM 0 HB VAL A 4 9.418 5.306 1.704 1.00 2.03 H new ATOM 0 HG11 VAL A 4 8.130 6.577 3.378 1.00 3.08 H new ATOM 0 HG12 VAL A 4 7.573 6.907 1.720 1.00 3.08 H new ATOM 0 HG13 VAL A 4 6.629 5.833 2.779 1.00 3.08 H new ATOM 0 HG21 VAL A 4 9.087 4.382 3.959 1.00 2.57 H new ATOM 0 HG22 VAL A 4 7.631 3.531 3.390 1.00 2.57 H new ATOM 0 HG23 VAL A 4 9.227 3.103 2.730 1.00 2.57 H new ATOM 54 N PHE A 5 5.556 3.566 0.096 1.00 0.41 N ATOM 55 CA PHE A 5 4.184 3.135 0.295 1.00 0.40 C ATOM 56 C PHE A 5 3.540 2.718 -1.035 1.00 0.40 C ATOM 57 O PHE A 5 4.141 2.858 -2.101 1.00 0.65 O ATOM 58 CB PHE A 5 3.385 4.268 0.936 1.00 0.52 C ATOM 59 CG PHE A 5 3.644 5.612 0.318 1.00 0.85 C ATOM 60 CD1 PHE A 5 3.092 5.945 -0.908 1.00 1.61 C ATOM 61 CD2 PHE A 5 4.442 6.543 0.964 1.00 1.24 C ATOM 62 CE1 PHE A 5 3.329 7.181 -1.478 1.00 2.16 C ATOM 63 CE2 PHE A 5 4.683 7.781 0.400 1.00 1.82 C ATOM 64 CZ PHE A 5 4.126 8.101 -0.824 1.00 1.82 C ATOM 0 H PHE A 5 5.852 3.595 -0.880 1.00 0.41 H new ATOM 0 HA PHE A 5 4.181 2.268 0.955 1.00 0.40 H new ATOM 0 HB2 PHE A 5 2.322 4.041 0.858 1.00 0.52 H new ATOM 0 HB3 PHE A 5 3.624 4.314 1.998 1.00 0.52 H new ATOM 0 HD1 PHE A 5 2.469 5.230 -1.424 1.00 1.61 H new ATOM 0 HD2 PHE A 5 4.881 6.298 1.920 1.00 1.24 H new ATOM 0 HE1 PHE A 5 2.892 7.428 -2.434 1.00 2.16 H new ATOM 0 HE2 PHE A 5 5.306 8.498 0.915 1.00 1.82 H new ATOM 0 HZ PHE A 5 4.313 9.068 -1.268 1.00 1.82 H new ATOM 74 N GLU A 6 2.315 2.207 -0.952 1.00 0.26 N ATOM 75 CA GLU A 6 1.561 1.750 -2.116 1.00 0.29 C ATOM 76 C GLU A 6 0.066 1.865 -1.824 1.00 0.27 C ATOM 77 O GLU A 6 -0.416 1.284 -0.856 1.00 0.32 O ATOM 78 CB GLU A 6 1.926 0.299 -2.451 1.00 0.35 C ATOM 79 CG GLU A 6 1.042 -0.317 -3.524 1.00 1.04 C ATOM 80 CD GLU A 6 1.174 0.383 -4.862 1.00 1.84 C ATOM 81 OE1 GLU A 6 2.047 -0.022 -5.659 1.00 2.41 O ATOM 82 OE2 GLU A 6 0.406 1.334 -5.112 1.00 2.36 O ATOM 0 H GLU A 6 1.814 2.098 -0.070 1.00 0.26 H new ATOM 0 HA GLU A 6 1.811 2.373 -2.975 1.00 0.29 H new ATOM 0 HB2 GLU A 6 2.964 0.261 -2.781 1.00 0.35 H new ATOM 0 HB3 GLU A 6 1.857 -0.303 -1.545 1.00 0.35 H new ATOM 0 HG2 GLU A 6 1.300 -1.369 -3.642 1.00 1.04 H new ATOM 0 HG3 GLU A 6 0.002 -0.278 -3.199 1.00 1.04 H new ATOM 89 N TYR A 7 -0.674 2.580 -2.668 1.00 0.26 N ATOM 90 CA TYR A 7 -2.097 2.769 -2.436 1.00 0.26 C ATOM 91 C TYR A 7 -2.937 1.650 -3.033 1.00 0.24 C ATOM 92 O TYR A 7 -3.145 1.588 -4.243 1.00 0.32 O ATOM 93 CB TYR A 7 -2.542 4.118 -3.002 1.00 0.31 C ATOM 94 CG TYR A 7 -2.365 4.240 -4.500 1.00 0.41 C ATOM 95 CD1 TYR A 7 -1.138 4.597 -5.046 1.00 1.40 C ATOM 96 CD2 TYR A 7 -3.424 3.998 -5.366 1.00 1.25 C ATOM 97 CE1 TYR A 7 -0.972 4.709 -6.413 1.00 1.70 C ATOM 98 CE2 TYR A 7 -3.265 4.108 -6.734 1.00 1.45 C ATOM 99 CZ TYR A 7 -2.038 4.464 -7.252 1.00 1.28 C ATOM 100 OH TYR A 7 -1.875 4.573 -8.614 1.00 1.73 O ATOM 0 H TYR A 7 -0.314 3.032 -3.509 1.00 0.26 H new ATOM 0 HA TYR A 7 -2.255 2.750 -1.358 1.00 0.26 H new ATOM 0 HB2 TYR A 7 -3.592 4.276 -2.755 1.00 0.31 H new ATOM 0 HB3 TYR A 7 -1.976 4.911 -2.513 1.00 0.31 H new ATOM 0 HD1 TYR A 7 -0.301 4.790 -4.391 1.00 1.40 H new ATOM 0 HD2 TYR A 7 -4.387 3.719 -4.964 1.00 1.25 H new ATOM 0 HE1 TYR A 7 -0.012 4.987 -6.822 1.00 1.70 H new ATOM 0 HE2 TYR A 7 -4.098 3.916 -7.394 1.00 1.45 H new ATOM 0 HH TYR A 7 -2.722 4.367 -9.062 1.00 1.73 H new ATOM 110 N ALA A 8 -3.419 0.766 -2.160 1.00 0.23 N ATOM 111 CA ALA A 8 -4.273 -0.338 -2.579 1.00 0.26 C ATOM 112 C ALA A 8 -5.723 0.126 -2.542 1.00 0.28 C ATOM 113 O ALA A 8 -6.559 -0.457 -1.856 1.00 0.38 O ATOM 114 CB ALA A 8 -4.069 -1.534 -1.663 1.00 0.35 C ATOM 0 H ALA A 8 -3.231 0.795 -1.158 1.00 0.23 H new ATOM 0 HA ALA A 8 -4.016 -0.644 -3.593 1.00 0.26 H new ATOM 0 HB1 ALA A 8 -4.712 -2.353 -1.985 1.00 0.35 H new ATOM 0 HB2 ALA A 8 -3.027 -1.852 -1.706 1.00 0.35 H new ATOM 0 HB3 ALA A 8 -4.321 -1.256 -0.640 1.00 0.35 H new ATOM 120 N GLU A 9 -6.003 1.181 -3.302 1.00 0.25 N ATOM 121 CA GLU A 9 -7.315 1.798 -3.333 1.00 0.32 C ATOM 122 C GLU A 9 -7.977 1.726 -4.686 1.00 0.33 C ATOM 123 O GLU A 9 -7.333 1.753 -5.735 1.00 0.44 O ATOM 124 CB GLU A 9 -7.154 3.234 -2.827 1.00 0.41 C ATOM 125 CG GLU A 9 -7.933 4.305 -3.566 1.00 0.36 C ATOM 126 CD GLU A 9 -7.426 4.551 -4.976 1.00 2.29 C ATOM 127 OE1 GLU A 9 -6.384 5.222 -5.121 1.00 2.80 O ATOM 128 OE2 GLU A 9 -8.074 4.078 -5.933 1.00 2.65 O ATOM 0 H GLU A 9 -5.321 1.629 -3.914 1.00 0.25 H new ATOM 0 HA GLU A 9 -7.994 1.245 -2.684 1.00 0.32 H new ATOM 0 HB2 GLU A 9 -7.449 3.261 -1.778 1.00 0.41 H new ATOM 0 HB3 GLU A 9 -6.096 3.493 -2.867 1.00 0.41 H new ATOM 0 HG2 GLU A 9 -8.983 4.016 -3.610 1.00 0.36 H new ATOM 0 HG3 GLU A 9 -7.882 5.236 -3.001 1.00 0.36 H new ATOM 135 N VAL A 10 -9.289 1.639 -4.618 1.00 0.24 N ATOM 136 CA VAL A 10 -10.115 1.558 -5.788 1.00 0.27 C ATOM 137 C VAL A 10 -10.484 2.950 -6.271 1.00 0.27 C ATOM 138 O VAL A 10 -10.622 3.196 -7.469 1.00 0.35 O ATOM 139 CB VAL A 10 -11.369 0.746 -5.487 1.00 0.31 C ATOM 140 CG1 VAL A 10 -12.211 0.584 -6.742 1.00 0.42 C ATOM 141 CG2 VAL A 10 -10.981 -0.604 -4.903 1.00 0.31 C ATOM 0 H VAL A 10 -9.808 1.623 -3.740 1.00 0.24 H new ATOM 0 HA VAL A 10 -9.557 1.057 -6.579 1.00 0.27 H new ATOM 0 HB VAL A 10 -11.972 1.277 -4.751 1.00 0.31 H new ATOM 0 HG11 VAL A 10 -13.103 0.002 -6.509 1.00 0.42 H new ATOM 0 HG12 VAL A 10 -12.505 1.566 -7.112 1.00 0.42 H new ATOM 0 HG13 VAL A 10 -11.630 0.068 -7.506 1.00 0.42 H new ATOM 0 HG21 VAL A 10 -11.881 -1.180 -4.690 1.00 0.31 H new ATOM 0 HG22 VAL A 10 -10.364 -1.147 -5.619 1.00 0.31 H new ATOM 0 HG23 VAL A 10 -10.419 -0.454 -3.981 1.00 0.31 H new ATOM 151 N ASP A 11 -10.646 3.856 -5.320 1.00 0.23 N ATOM 152 CA ASP A 11 -10.964 5.244 -5.624 1.00 0.26 C ATOM 153 C ASP A 11 -10.296 6.207 -4.642 1.00 0.24 C ATOM 154 O ASP A 11 -9.838 7.280 -5.035 1.00 0.28 O ATOM 155 CB ASP A 11 -12.474 5.462 -5.593 1.00 0.31 C ATOM 156 CG ASP A 11 -12.878 6.813 -6.149 1.00 1.76 C ATOM 157 OD1 ASP A 11 -12.645 7.831 -5.466 1.00 2.09 O ATOM 158 OD2 ASP A 11 -13.431 6.852 -7.269 1.00 2.19 O ATOM 0 H ASP A 11 -10.562 3.654 -4.324 1.00 0.23 H new ATOM 0 HA ASP A 11 -10.581 5.451 -6.623 1.00 0.26 H new ATOM 0 HB2 ASP A 11 -12.963 4.675 -6.168 1.00 0.31 H new ATOM 0 HB3 ASP A 11 -12.829 5.374 -4.566 1.00 0.31 H new ATOM 163 N GLU A 12 -10.242 5.824 -3.366 1.00 0.21 N ATOM 164 CA GLU A 12 -9.667 6.697 -2.340 1.00 0.23 C ATOM 165 C GLU A 12 -9.132 5.917 -1.145 1.00 0.23 C ATOM 166 O GLU A 12 -9.483 4.764 -0.940 1.00 0.29 O ATOM 167 CB GLU A 12 -10.718 7.700 -1.870 1.00 0.26 C ATOM 168 CG GLU A 12 -11.014 8.791 -2.885 1.00 0.31 C ATOM 169 CD GLU A 12 -9.814 9.677 -3.158 1.00 1.19 C ATOM 170 OE1 GLU A 12 -8.979 9.300 -4.007 1.00 2.18 O ATOM 171 OE2 GLU A 12 -9.709 10.748 -2.524 1.00 1.09 O ATOM 0 H GLU A 12 -10.584 4.927 -3.020 1.00 0.21 H new ATOM 0 HA GLU A 12 -8.823 7.218 -2.792 1.00 0.23 H new ATOM 0 HB2 GLU A 12 -11.641 7.167 -1.643 1.00 0.26 H new ATOM 0 HB3 GLU A 12 -10.379 8.161 -0.942 1.00 0.26 H new ATOM 0 HG2 GLU A 12 -11.343 8.334 -3.818 1.00 0.31 H new ATOM 0 HG3 GLU A 12 -11.839 9.405 -2.523 1.00 0.31 H new ATOM 178 N ILE A 13 -8.293 6.573 -0.354 1.00 0.22 N ATOM 179 CA ILE A 13 -7.699 5.956 0.828 1.00 0.22 C ATOM 180 C ILE A 13 -7.833 6.897 2.029 1.00 0.27 C ATOM 181 O ILE A 13 -8.605 7.854 1.997 1.00 0.34 O ATOM 182 CB ILE A 13 -6.201 5.623 0.594 1.00 0.20 C ATOM 183 CG1 ILE A 13 -5.369 6.904 0.512 1.00 0.28 C ATOM 184 CG2 ILE A 13 -6.044 4.841 -0.692 1.00 0.20 C ATOM 185 CD1 ILE A 13 -5.675 7.722 -0.725 1.00 0.34 C ATOM 0 H ILE A 13 -8.006 7.539 -0.510 1.00 0.22 H new ATOM 0 HA ILE A 13 -8.231 5.026 1.027 1.00 0.22 H new ATOM 0 HB ILE A 13 -5.847 5.026 1.434 1.00 0.20 H new ATOM 0 HG12 ILE A 13 -5.555 7.510 1.399 1.00 0.28 H new ATOM 0 HG13 ILE A 13 -4.310 6.646 0.519 1.00 0.28 H new ATOM 0 HG21 ILE A 13 -4.991 4.610 -0.851 1.00 0.20 H new ATOM 0 HG22 ILE A 13 -6.613 3.914 -0.626 1.00 0.20 H new ATOM 0 HG23 ILE A 13 -6.415 5.435 -1.527 1.00 0.20 H new ATOM 0 HD11 ILE A 13 -5.056 8.619 -0.730 1.00 0.34 H new ATOM 0 HD12 ILE A 13 -5.463 7.129 -1.615 1.00 0.34 H new ATOM 0 HD13 ILE A 13 -6.727 8.007 -0.721 1.00 0.34 H new ATOM 197 N VAL A 14 -7.079 6.617 3.081 1.00 0.25 N ATOM 198 CA VAL A 14 -7.098 7.436 4.286 1.00 0.30 C ATOM 199 C VAL A 14 -5.736 7.381 4.956 1.00 0.27 C ATOM 200 O VAL A 14 -5.063 8.398 5.113 1.00 0.30 O ATOM 201 CB VAL A 14 -8.183 6.973 5.280 1.00 0.35 C ATOM 202 CG1 VAL A 14 -8.121 7.786 6.566 1.00 0.61 C ATOM 203 CG2 VAL A 14 -9.561 7.077 4.646 1.00 0.67 C ATOM 0 H VAL A 14 -6.441 5.822 3.125 1.00 0.25 H new ATOM 0 HA VAL A 14 -7.333 8.459 3.992 1.00 0.30 H new ATOM 0 HB VAL A 14 -7.995 5.929 5.531 1.00 0.35 H new ATOM 0 HG11 VAL A 14 -8.895 7.442 7.252 1.00 0.61 H new ATOM 0 HG12 VAL A 14 -7.143 7.659 7.030 1.00 0.61 H new ATOM 0 HG13 VAL A 14 -8.280 8.840 6.338 1.00 0.61 H new ATOM 0 HG21 VAL A 14 -10.316 6.747 5.360 1.00 0.67 H new ATOM 0 HG22 VAL A 14 -9.755 8.112 4.365 1.00 0.67 H new ATOM 0 HG23 VAL A 14 -9.601 6.447 3.758 1.00 0.67 H new ATOM 213 N GLU A 15 -5.343 6.179 5.346 1.00 0.28 N ATOM 214 CA GLU A 15 -4.040 5.974 5.964 1.00 0.27 C ATOM 215 C GLU A 15 -3.041 5.604 4.877 1.00 0.26 C ATOM 216 O GLU A 15 -3.346 4.799 4.014 1.00 0.48 O ATOM 217 CB GLU A 15 -4.108 4.871 7.025 1.00 0.32 C ATOM 218 CG GLU A 15 -2.816 4.698 7.805 1.00 1.30 C ATOM 219 CD GLU A 15 -2.408 5.959 8.542 1.00 1.98 C ATOM 220 OE1 GLU A 15 -2.888 6.167 9.675 1.00 2.07 O ATOM 221 OE2 GLU A 15 -1.605 6.739 7.985 1.00 2.96 O ATOM 0 H GLU A 15 -5.904 5.333 5.247 1.00 0.28 H new ATOM 0 HA GLU A 15 -3.725 6.891 6.461 1.00 0.27 H new ATOM 0 HB2 GLU A 15 -4.916 5.097 7.721 1.00 0.32 H new ATOM 0 HB3 GLU A 15 -4.360 3.927 6.541 1.00 0.32 H new ATOM 0 HG2 GLU A 15 -2.934 3.885 8.521 1.00 1.30 H new ATOM 0 HG3 GLU A 15 -2.019 4.407 7.121 1.00 1.30 H new ATOM 228 N LYS A 16 -1.867 6.208 4.886 1.00 0.20 N ATOM 229 CA LYS A 16 -0.881 5.907 3.851 1.00 0.23 C ATOM 230 C LYS A 16 0.564 6.091 4.335 1.00 0.25 C ATOM 231 O LYS A 16 1.193 7.104 4.033 1.00 0.35 O ATOM 232 CB LYS A 16 -1.133 6.813 2.645 1.00 0.32 C ATOM 233 CG LYS A 16 -1.207 8.293 3.000 1.00 0.41 C ATOM 234 CD LYS A 16 -1.341 9.162 1.759 1.00 0.50 C ATOM 235 CE LYS A 16 -2.650 8.899 1.031 1.00 1.43 C ATOM 236 NZ LYS A 16 -2.795 9.753 -0.180 1.00 2.13 N ATOM 0 H LYS A 16 -1.572 6.896 5.579 1.00 0.20 H new ATOM 0 HA LYS A 16 -0.997 4.857 3.582 1.00 0.23 H new ATOM 0 HB2 LYS A 16 -0.338 6.662 1.915 1.00 0.32 H new ATOM 0 HB3 LYS A 16 -2.066 6.516 2.166 1.00 0.32 H new ATOM 0 HG2 LYS A 16 -2.057 8.467 3.660 1.00 0.41 H new ATOM 0 HG3 LYS A 16 -0.312 8.581 3.551 1.00 0.41 H new ATOM 0 HD2 LYS A 16 -1.286 10.213 2.042 1.00 0.50 H new ATOM 0 HD3 LYS A 16 -0.505 8.969 1.087 1.00 0.50 H new ATOM 0 HE2 LYS A 16 -2.700 7.849 0.743 1.00 1.43 H new ATOM 0 HE3 LYS A 16 -3.485 9.084 1.707 1.00 1.43 H new ATOM 0 HZ1 LYS A 16 -3.718 10.231 -0.159 1.00 2.13 H new ATOM 0 HZ2 LYS A 16 -2.037 10.465 -0.196 1.00 2.13 H new ATOM 0 HZ3 LYS A 16 -2.731 9.160 -1.032 1.00 2.13 H new ATOM 250 N ARG A 17 1.101 5.122 5.077 1.00 0.22 N ATOM 251 CA ARG A 17 2.474 5.236 5.572 1.00 0.31 C ATOM 252 C ARG A 17 3.092 3.865 5.810 1.00 0.30 C ATOM 253 O ARG A 17 2.899 3.278 6.874 1.00 0.33 O ATOM 254 CB ARG A 17 2.505 6.052 6.865 1.00 0.41 C ATOM 255 CG ARG A 17 3.905 6.241 7.431 1.00 1.20 C ATOM 256 CD ARG A 17 3.894 7.121 8.670 1.00 1.68 C ATOM 257 NE ARG A 17 5.235 7.313 9.217 1.00 2.30 N ATOM 258 CZ ARG A 17 5.546 8.261 10.095 1.00 3.07 C ATOM 259 NH1 ARG A 17 4.615 9.104 10.521 1.00 3.46 N ATOM 260 NH2 ARG A 17 6.787 8.368 10.548 1.00 3.83 N ATOM 0 H ARG A 17 0.618 4.265 5.345 1.00 0.22 H new ATOM 0 HA ARG A 17 3.062 5.747 4.809 1.00 0.31 H new ATOM 0 HB2 ARG A 17 2.062 7.030 6.678 1.00 0.41 H new ATOM 0 HB3 ARG A 17 1.884 5.558 7.612 1.00 0.41 H new ATOM 0 HG2 ARG A 17 4.332 5.269 7.678 1.00 1.20 H new ATOM 0 HG3 ARG A 17 4.547 6.688 6.672 1.00 1.20 H new ATOM 0 HD2 ARG A 17 3.461 8.090 8.422 1.00 1.68 H new ATOM 0 HD3 ARG A 17 3.254 6.671 9.429 1.00 1.68 H new ATOM 0 HE ARG A 17 5.975 6.683 8.907 1.00 2.30 H new ATOM 0 HH11 ARG A 17 3.659 9.025 10.175 1.00 3.46 H new ATOM 0 HH12 ARG A 17 4.855 9.831 11.195 1.00 3.46 H new ATOM 0 HH21 ARG A 17 7.506 7.722 10.223 1.00 3.83 H new ATOM 0 HH22 ARG A 17 7.023 9.097 11.222 1.00 3.83 H new ATOM 274 N GLY A 18 3.834 3.345 4.836 1.00 0.29 N ATOM 275 CA GLY A 18 4.425 2.039 5.029 1.00 0.28 C ATOM 276 C GLY A 18 5.697 1.813 4.248 1.00 0.32 C ATOM 277 O GLY A 18 6.618 2.624 4.283 1.00 0.41 O ATOM 0 H GLY A 18 4.031 3.792 3.941 1.00 0.29 H new ATOM 0 HA2 GLY A 18 4.634 1.900 6.090 1.00 0.28 H new ATOM 0 HA3 GLY A 18 3.698 1.278 4.745 1.00 0.28 H new ATOM 281 N LYS A 19 5.732 0.683 3.554 1.00 0.30 N ATOM 282 CA LYS A 19 6.867 0.283 2.751 1.00 0.36 C ATOM 283 C LYS A 19 6.460 0.220 1.274 1.00 0.45 C ATOM 284 O LYS A 19 6.044 1.221 0.709 1.00 0.76 O ATOM 285 CB LYS A 19 7.326 -1.063 3.277 1.00 0.29 C ATOM 286 CG LYS A 19 7.917 -0.985 4.665 1.00 0.37 C ATOM 287 CD LYS A 19 8.351 -2.349 5.133 1.00 0.33 C ATOM 288 CE LYS A 19 8.940 -2.291 6.532 1.00 0.51 C ATOM 289 NZ LYS A 19 10.076 -1.334 6.617 1.00 1.13 N ATOM 0 H LYS A 19 4.962 0.015 3.536 1.00 0.30 H new ATOM 0 HA LYS A 19 7.687 0.998 2.818 1.00 0.36 H new ATOM 0 HB2 LYS A 19 6.480 -1.751 3.287 1.00 0.29 H new ATOM 0 HB3 LYS A 19 8.068 -1.479 2.595 1.00 0.29 H new ATOM 0 HG2 LYS A 19 8.770 -0.306 4.666 1.00 0.37 H new ATOM 0 HG3 LYS A 19 7.182 -0.574 5.357 1.00 0.37 H new ATOM 0 HD2 LYS A 19 7.498 -3.028 5.123 1.00 0.33 H new ATOM 0 HD3 LYS A 19 9.089 -2.755 4.442 1.00 0.33 H new ATOM 0 HE2 LYS A 19 8.165 -1.998 7.240 1.00 0.51 H new ATOM 0 HE3 LYS A 19 9.280 -3.285 6.824 1.00 0.51 H new ATOM 0 HZ1 LYS A 19 10.607 -1.503 7.495 1.00 1.13 H new ATOM 0 HZ2 LYS A 19 10.705 -1.469 5.800 1.00 1.13 H new ATOM 0 HZ3 LYS A 19 9.711 -0.360 6.616 1.00 1.13 H new ATOM 303 N GLY A 20 6.590 -0.939 0.641 1.00 0.47 N ATOM 304 CA GLY A 20 6.167 -1.082 -0.722 1.00 0.51 C ATOM 305 C GLY A 20 4.778 -1.642 -0.721 1.00 0.42 C ATOM 306 O GLY A 20 3.910 -1.253 -1.501 1.00 0.48 O ATOM 0 H GLY A 20 6.984 -1.782 1.058 1.00 0.47 H new ATOM 0 HA2 GLY A 20 6.189 -0.118 -1.230 1.00 0.51 H new ATOM 0 HA3 GLY A 20 6.844 -1.743 -1.263 1.00 0.51 H new ATOM 310 N LYS A 21 4.601 -2.581 0.193 1.00 0.33 N ATOM 311 CA LYS A 21 3.333 -3.243 0.412 1.00 0.33 C ATOM 312 C LYS A 21 3.025 -3.356 1.919 1.00 0.27 C ATOM 313 O LYS A 21 1.992 -3.905 2.301 1.00 0.32 O ATOM 314 CB LYS A 21 3.374 -4.629 -0.225 1.00 0.46 C ATOM 315 CG LYS A 21 3.930 -4.631 -1.640 1.00 0.88 C ATOM 316 CD LYS A 21 2.955 -4.010 -2.628 1.00 1.58 C ATOM 317 CE LYS A 21 3.605 -3.798 -3.986 1.00 2.52 C ATOM 318 NZ LYS A 21 4.501 -4.930 -4.355 1.00 3.41 N ATOM 0 H LYS A 21 5.345 -2.907 0.810 1.00 0.33 H new ATOM 0 HA LYS A 21 2.541 -2.653 -0.048 1.00 0.33 H new ATOM 0 HB2 LYS A 21 3.981 -5.288 0.396 1.00 0.46 H new ATOM 0 HB3 LYS A 21 2.366 -5.044 -0.239 1.00 0.46 H new ATOM 0 HG2 LYS A 21 4.871 -4.081 -1.662 1.00 0.88 H new ATOM 0 HG3 LYS A 21 4.152 -5.654 -1.942 1.00 0.88 H new ATOM 0 HD2 LYS A 21 2.083 -4.655 -2.736 1.00 1.58 H new ATOM 0 HD3 LYS A 21 2.599 -3.056 -2.240 1.00 1.58 H new ATOM 0 HE2 LYS A 21 2.831 -3.685 -4.745 1.00 2.52 H new ATOM 0 HE3 LYS A 21 4.178 -2.871 -3.974 1.00 2.52 H new ATOM 0 HZ1 LYS A 21 4.668 -4.920 -5.381 1.00 3.41 H new ATOM 0 HZ2 LYS A 21 5.408 -4.832 -3.856 1.00 3.41 H new ATOM 0 HZ3 LYS A 21 4.053 -5.829 -4.086 1.00 3.41 H new ATOM 332 N ASP A 22 3.918 -2.820 2.774 1.00 0.21 N ATOM 333 CA ASP A 22 3.734 -2.868 4.220 1.00 0.23 C ATOM 334 C ASP A 22 2.944 -1.672 4.722 1.00 0.21 C ATOM 335 O ASP A 22 2.846 -1.430 5.923 1.00 0.26 O ATOM 336 CB ASP A 22 5.084 -2.894 4.931 1.00 0.26 C ATOM 337 CG ASP A 22 4.979 -3.348 6.375 1.00 0.34 C ATOM 338 OD1 ASP A 22 4.545 -4.492 6.610 1.00 0.94 O ATOM 339 OD2 ASP A 22 5.330 -2.552 7.272 1.00 1.22 O ATOM 0 H ASP A 22 4.773 -2.350 2.477 1.00 0.21 H new ATOM 0 HA ASP A 22 3.178 -3.779 4.441 1.00 0.23 H new ATOM 0 HB2 ASP A 22 5.760 -3.560 4.394 1.00 0.26 H new ATOM 0 HB3 ASP A 22 5.526 -1.898 4.899 1.00 0.26 H new ATOM 344 N VAL A 23 2.405 -0.924 3.789 1.00 0.17 N ATOM 345 CA VAL A 23 1.628 0.248 4.085 1.00 0.18 C ATOM 346 C VAL A 23 0.143 -0.068 4.112 1.00 0.16 C ATOM 347 O VAL A 23 -0.344 -0.878 3.324 1.00 0.18 O ATOM 348 CB VAL A 23 1.885 1.287 3.007 1.00 0.20 C ATOM 349 CG1 VAL A 23 1.478 0.709 1.660 1.00 0.34 C ATOM 350 CG2 VAL A 23 1.143 2.571 3.324 1.00 0.23 C ATOM 0 H VAL A 23 2.497 -1.118 2.792 1.00 0.17 H new ATOM 0 HA VAL A 23 1.921 0.620 5.067 1.00 0.18 H new ATOM 0 HB VAL A 23 2.946 1.536 2.969 1.00 0.20 H new ATOM 0 HG11 VAL A 23 1.658 1.447 0.878 1.00 0.34 H new ATOM 0 HG12 VAL A 23 2.065 -0.187 1.456 1.00 0.34 H new ATOM 0 HG13 VAL A 23 0.419 0.452 1.679 1.00 0.34 H new ATOM 0 HG21 VAL A 23 1.337 3.306 2.543 1.00 0.23 H new ATOM 0 HG22 VAL A 23 0.073 2.370 3.375 1.00 0.23 H new ATOM 0 HG23 VAL A 23 1.485 2.962 4.282 1.00 0.23 H new ATOM 360 N GLU A 24 -0.579 0.609 4.983 1.00 0.18 N ATOM 361 CA GLU A 24 -2.008 0.383 5.103 1.00 0.22 C ATOM 362 C GLU A 24 -2.789 1.511 4.457 1.00 0.24 C ATOM 363 O GLU A 24 -2.783 2.642 4.941 1.00 0.48 O ATOM 364 CB GLU A 24 -2.432 0.239 6.563 1.00 0.34 C ATOM 365 CG GLU A 24 -1.839 1.288 7.491 1.00 0.45 C ATOM 366 CD GLU A 24 -0.418 0.965 7.912 1.00 0.86 C ATOM 367 OE1 GLU A 24 0.517 1.323 7.166 1.00 1.22 O ATOM 368 OE2 GLU A 24 -0.240 0.354 8.987 1.00 1.26 O ATOM 0 H GLU A 24 -0.204 1.316 5.615 1.00 0.18 H new ATOM 0 HA GLU A 24 -2.230 -0.550 4.585 1.00 0.22 H new ATOM 0 HB2 GLU A 24 -3.519 0.292 6.621 1.00 0.34 H new ATOM 0 HB3 GLU A 24 -2.142 -0.750 6.918 1.00 0.34 H new ATOM 0 HG2 GLU A 24 -1.854 2.257 6.993 1.00 0.45 H new ATOM 0 HG3 GLU A 24 -2.465 1.376 8.379 1.00 0.45 H new ATOM 375 N TYR A 25 -3.459 1.194 3.363 1.00 0.18 N ATOM 376 CA TYR A 25 -4.252 2.168 2.645 1.00 0.22 C ATOM 377 C TYR A 25 -5.724 1.810 2.721 1.00 0.30 C ATOM 378 O TYR A 25 -6.084 0.640 2.769 1.00 0.65 O ATOM 379 CB TYR A 25 -3.826 2.235 1.185 1.00 0.23 C ATOM 380 CG TYR A 25 -2.657 3.153 0.925 1.00 0.21 C ATOM 381 CD1 TYR A 25 -1.357 2.742 1.182 1.00 0.34 C ATOM 382 CD2 TYR A 25 -2.854 4.440 0.460 1.00 0.27 C ATOM 383 CE1 TYR A 25 -0.285 3.588 0.979 1.00 0.38 C ATOM 384 CE2 TYR A 25 -1.790 5.294 0.261 1.00 0.25 C ATOM 385 CZ TYR A 25 -0.505 4.820 0.374 1.00 0.25 C ATOM 386 OH TYR A 25 0.552 5.723 0.328 1.00 0.30 O ATOM 0 H TYR A 25 -3.467 0.260 2.952 1.00 0.18 H new ATOM 0 HA TYR A 25 -4.092 3.141 3.109 1.00 0.22 H new ATOM 0 HB2 TYR A 25 -3.568 1.231 0.847 1.00 0.23 H new ATOM 0 HB3 TYR A 25 -4.674 2.566 0.585 1.00 0.23 H new ATOM 0 HD1 TYR A 25 -1.180 1.741 1.548 1.00 0.34 H new ATOM 0 HD2 TYR A 25 -3.857 4.782 0.249 1.00 0.27 H new ATOM 0 HE1 TYR A 25 0.709 3.297 1.285 1.00 0.38 H new ATOM 0 HE2 TYR A 25 -1.966 6.331 0.017 1.00 0.25 H new ATOM 0 HH TYR A 25 1.124 5.518 -0.441 1.00 0.30 H new ATOM 396 N LEU A 26 -6.567 2.820 2.727 1.00 0.19 N ATOM 397 CA LEU A 26 -7.994 2.621 2.770 1.00 0.19 C ATOM 398 C LEU A 26 -8.495 2.538 1.351 1.00 0.17 C ATOM 399 O LEU A 26 -7.818 2.990 0.431 1.00 0.17 O ATOM 400 CB LEU A 26 -8.676 3.783 3.494 1.00 0.20 C ATOM 401 CG LEU A 26 -10.184 3.891 3.252 1.00 0.29 C ATOM 402 CD1 LEU A 26 -10.888 4.485 4.457 1.00 0.88 C ATOM 403 CD2 LEU A 26 -10.482 4.703 1.999 1.00 0.96 C ATOM 0 H LEU A 26 -6.280 3.799 2.702 1.00 0.19 H new ATOM 0 HA LEU A 26 -8.224 1.704 3.312 1.00 0.19 H new ATOM 0 HB2 LEU A 26 -8.500 3.679 4.565 1.00 0.20 H new ATOM 0 HB3 LEU A 26 -8.204 4.715 3.182 1.00 0.20 H new ATOM 0 HG LEU A 26 -10.568 2.882 3.099 1.00 0.29 H new ATOM 0 HD11 LEU A 26 -11.958 4.550 4.258 1.00 0.88 H new ATOM 0 HD12 LEU A 26 -10.719 3.850 5.327 1.00 0.88 H new ATOM 0 HD13 LEU A 26 -10.494 5.482 4.654 1.00 0.88 H new ATOM 0 HD21 LEU A 26 -11.560 4.763 1.852 1.00 0.96 H new ATOM 0 HD22 LEU A 26 -10.075 5.708 2.111 1.00 0.96 H new ATOM 0 HD23 LEU A 26 -10.025 4.220 1.135 1.00 0.96 H new ATOM 415 N VAL A 27 -9.660 1.962 1.144 1.00 0.18 N ATOM 416 CA VAL A 27 -10.170 1.893 -0.203 1.00 0.18 C ATOM 417 C VAL A 27 -11.670 2.137 -0.298 1.00 0.18 C ATOM 418 O VAL A 27 -12.481 1.334 0.165 1.00 0.22 O ATOM 419 CB VAL A 27 -9.756 0.584 -0.921 1.00 0.24 C ATOM 420 CG1 VAL A 27 -8.616 -0.122 -0.196 1.00 0.40 C ATOM 421 CG2 VAL A 27 -10.917 -0.384 -1.152 1.00 0.36 C ATOM 0 H VAL A 27 -10.252 1.549 1.865 1.00 0.18 H new ATOM 0 HA VAL A 27 -9.697 2.720 -0.733 1.00 0.18 H new ATOM 0 HB VAL A 27 -9.408 0.898 -1.905 1.00 0.24 H new ATOM 0 HG11 VAL A 27 -8.355 -1.035 -0.731 1.00 0.40 H new ATOM 0 HG12 VAL A 27 -7.748 0.536 -0.156 1.00 0.40 H new ATOM 0 HG13 VAL A 27 -8.929 -0.372 0.818 1.00 0.40 H new ATOM 0 HG21 VAL A 27 -10.551 -1.277 -1.659 1.00 0.36 H new ATOM 0 HG22 VAL A 27 -11.353 -0.664 -0.193 1.00 0.36 H new ATOM 0 HG23 VAL A 27 -11.675 0.098 -1.769 1.00 0.36 H new ATOM 431 N ARG A 28 -12.020 3.266 -0.895 1.00 0.16 N ATOM 432 CA ARG A 28 -13.408 3.598 -1.126 1.00 0.18 C ATOM 433 C ARG A 28 -13.784 3.027 -2.465 1.00 0.16 C ATOM 434 O ARG A 28 -13.830 3.739 -3.469 1.00 0.20 O ATOM 435 CB ARG A 28 -13.639 5.105 -1.109 1.00 0.21 C ATOM 436 CG ARG A 28 -12.894 5.828 0.000 1.00 1.14 C ATOM 437 CD ARG A 28 -13.325 7.282 0.108 1.00 1.22 C ATOM 438 NE ARG A 28 -12.444 8.051 0.983 1.00 1.99 N ATOM 439 CZ ARG A 28 -12.648 9.328 1.297 1.00 2.29 C ATOM 440 NH1 ARG A 28 -13.704 9.970 0.817 1.00 2.04 N ATOM 441 NH2 ARG A 28 -11.798 9.961 2.094 1.00 3.27 N ATOM 0 H ARG A 28 -11.357 3.966 -1.227 1.00 0.16 H new ATOM 0 HA ARG A 28 -14.025 3.179 -0.331 1.00 0.18 H new ATOM 0 HB2 ARG A 28 -13.334 5.521 -2.069 1.00 0.21 H new ATOM 0 HB3 ARG A 28 -14.706 5.298 -1.003 1.00 0.21 H new ATOM 0 HG2 ARG A 28 -13.074 5.323 0.949 1.00 1.14 H new ATOM 0 HG3 ARG A 28 -11.822 5.779 -0.189 1.00 1.14 H new ATOM 0 HD2 ARG A 28 -13.333 7.732 -0.885 1.00 1.22 H new ATOM 0 HD3 ARG A 28 -14.345 7.330 0.488 1.00 1.22 H new ATOM 0 HE ARG A 28 -11.627 7.583 1.375 1.00 1.99 H new ATOM 0 HH11 ARG A 28 -14.361 9.485 0.206 1.00 2.04 H new ATOM 0 HH12 ARG A 28 -13.859 10.949 1.059 1.00 2.04 H new ATOM 0 HH21 ARG A 28 -10.986 9.469 2.467 1.00 3.27 H new ATOM 0 HH22 ARG A 28 -11.956 10.940 2.334 1.00 3.27 H new ATOM 455 N TRP A 29 -14.030 1.720 -2.452 1.00 0.19 N ATOM 456 CA TRP A 29 -14.391 0.948 -3.638 1.00 0.25 C ATOM 457 C TRP A 29 -15.094 1.801 -4.674 1.00 0.25 C ATOM 458 O TRP A 29 -16.308 1.969 -4.632 1.00 0.30 O ATOM 459 CB TRP A 29 -15.306 -0.197 -3.223 1.00 0.34 C ATOM 460 CG TRP A 29 -14.975 -1.509 -3.873 1.00 0.44 C ATOM 461 CD1 TRP A 29 -14.106 -1.721 -4.905 1.00 0.61 C ATOM 462 CD2 TRP A 29 -15.517 -2.791 -3.538 1.00 0.67 C ATOM 463 NE1 TRP A 29 -14.070 -3.056 -5.226 1.00 0.93 N ATOM 464 CE2 TRP A 29 -14.928 -3.734 -4.402 1.00 0.98 C ATOM 465 CE3 TRP A 29 -16.440 -3.235 -2.587 1.00 0.71 C ATOM 466 CZ2 TRP A 29 -15.233 -5.091 -4.344 1.00 1.30 C ATOM 467 CZ3 TRP A 29 -16.744 -4.583 -2.531 1.00 1.02 C ATOM 468 CH2 TRP A 29 -16.142 -5.497 -3.404 1.00 1.31 C ATOM 0 H TRP A 29 -13.983 1.158 -1.602 1.00 0.19 H new ATOM 0 HA TRP A 29 -13.474 0.567 -4.087 1.00 0.25 H new ATOM 0 HB2 TRP A 29 -15.254 -0.316 -2.141 1.00 0.34 H new ATOM 0 HB3 TRP A 29 -16.335 0.068 -3.466 1.00 0.34 H new ATOM 0 HD1 TRP A 29 -13.531 -0.951 -5.397 1.00 0.61 H new ATOM 0 HE1 TRP A 29 -13.497 -3.474 -5.959 1.00 0.93 H new ATOM 0 HE3 TRP A 29 -16.908 -2.538 -1.908 1.00 0.71 H new ATOM 0 HZ2 TRP A 29 -14.769 -5.798 -5.016 1.00 1.30 H new ATOM 0 HZ3 TRP A 29 -17.458 -4.936 -1.802 1.00 1.02 H new ATOM 0 HH2 TRP A 29 -16.400 -6.543 -3.335 1.00 1.31 H new ATOM 479 N LYS A 30 -14.286 2.394 -5.557 1.00 0.25 N ATOM 480 CA LYS A 30 -14.795 3.240 -6.659 1.00 0.30 C ATOM 481 C LYS A 30 -16.203 2.821 -7.112 1.00 0.36 C ATOM 482 O LYS A 30 -17.026 3.662 -7.473 1.00 0.42 O ATOM 483 CB LYS A 30 -13.827 3.194 -7.854 1.00 0.35 C ATOM 484 CG LYS A 30 -14.012 1.989 -8.772 1.00 0.69 C ATOM 485 CD LYS A 30 -12.850 1.838 -9.743 1.00 1.11 C ATOM 486 CE LYS A 30 -13.008 2.739 -10.959 1.00 1.70 C ATOM 487 NZ LYS A 30 -13.159 4.172 -10.581 1.00 2.46 N ATOM 0 H LYS A 30 -13.270 2.308 -5.536 1.00 0.25 H new ATOM 0 HA LYS A 30 -14.862 4.259 -6.278 1.00 0.30 H new ATOM 0 HB2 LYS A 30 -13.951 4.104 -8.441 1.00 0.35 H new ATOM 0 HB3 LYS A 30 -12.804 3.194 -7.477 1.00 0.35 H new ATOM 0 HG2 LYS A 30 -14.104 1.084 -8.171 1.00 0.69 H new ATOM 0 HG3 LYS A 30 -14.942 2.096 -9.331 1.00 0.69 H new ATOM 0 HD2 LYS A 30 -11.917 2.077 -9.233 1.00 1.11 H new ATOM 0 HD3 LYS A 30 -12.780 0.800 -10.067 1.00 1.11 H new ATOM 0 HE2 LYS A 30 -12.140 2.626 -11.608 1.00 1.70 H new ATOM 0 HE3 LYS A 30 -13.879 2.423 -11.533 1.00 1.70 H new ATOM 0 HZ1 LYS A 30 -12.927 4.773 -11.398 1.00 2.46 H new ATOM 0 HZ2 LYS A 30 -14.140 4.352 -10.287 1.00 2.46 H new ATOM 0 HZ3 LYS A 30 -12.516 4.393 -9.794 1.00 2.46 H new ATOM 501 N ASP A 31 -16.459 1.515 -7.092 1.00 0.39 N ATOM 502 CA ASP A 31 -17.763 0.977 -7.466 1.00 0.48 C ATOM 503 C ASP A 31 -18.385 0.248 -6.277 1.00 0.45 C ATOM 504 O ASP A 31 -18.740 -0.927 -6.370 1.00 0.52 O ATOM 505 CB ASP A 31 -17.629 0.019 -8.653 1.00 0.59 C ATOM 506 CG ASP A 31 -16.978 0.670 -9.857 1.00 1.31 C ATOM 507 OD1 ASP A 31 -17.622 1.537 -10.484 1.00 2.02 O ATOM 508 OD2 ASP A 31 -15.824 0.313 -10.172 1.00 1.92 O ATOM 0 H ASP A 31 -15.777 0.808 -6.819 1.00 0.39 H new ATOM 0 HA ASP A 31 -18.409 1.804 -7.759 1.00 0.48 H new ATOM 0 HB2 ASP A 31 -17.041 -0.848 -8.351 1.00 0.59 H new ATOM 0 HB3 ASP A 31 -18.617 -0.348 -8.933 1.00 0.59 H new ATOM 513 N GLY A 32 -18.512 0.957 -5.159 1.00 0.39 N ATOM 514 CA GLY A 32 -19.070 0.366 -3.956 1.00 0.40 C ATOM 515 C GLY A 32 -19.867 1.356 -3.130 1.00 0.42 C ATOM 516 O GLY A 32 -20.384 2.343 -3.655 1.00 0.59 O ATOM 0 H GLY A 32 -18.237 1.935 -5.065 1.00 0.39 H new ATOM 0 HA2 GLY A 32 -19.712 -0.470 -4.232 1.00 0.40 H new ATOM 0 HA3 GLY A 32 -18.262 -0.040 -3.348 1.00 0.40 H new ATOM 520 N GLY A 33 -19.962 1.089 -1.830 1.00 0.43 N ATOM 521 CA GLY A 33 -20.694 1.967 -0.938 1.00 0.48 C ATOM 522 C GLY A 33 -19.991 2.153 0.394 1.00 0.46 C ATOM 523 O GLY A 33 -19.879 3.273 0.893 1.00 0.86 O ATOM 0 H GLY A 33 -19.543 0.276 -1.379 1.00 0.43 H new ATOM 0 HA2 GLY A 33 -20.826 2.938 -1.415 1.00 0.48 H new ATOM 0 HA3 GLY A 33 -21.690 1.558 -0.767 1.00 0.48 H new ATOM 527 N ASP A 34 -19.514 1.052 0.968 1.00 0.45 N ATOM 528 CA ASP A 34 -18.816 1.096 2.248 1.00 0.40 C ATOM 529 C ASP A 34 -17.313 1.265 2.041 1.00 0.38 C ATOM 530 O ASP A 34 -16.799 1.037 0.947 1.00 0.62 O ATOM 531 CB ASP A 34 -19.090 -0.180 3.045 1.00 0.55 C ATOM 532 CG ASP A 34 -18.387 -0.184 4.390 1.00 1.31 C ATOM 533 OD1 ASP A 34 -18.911 0.440 5.336 1.00 1.40 O ATOM 534 OD2 ASP A 34 -17.313 -0.812 4.495 1.00 2.13 O ATOM 0 H ASP A 34 -19.598 0.118 0.566 1.00 0.45 H new ATOM 0 HA ASP A 34 -19.188 1.954 2.808 1.00 0.40 H new ATOM 0 HB2 ASP A 34 -20.164 -0.285 3.199 1.00 0.55 H new ATOM 0 HB3 ASP A 34 -18.765 -1.044 2.466 1.00 0.55 H new ATOM 539 N CYS A 35 -16.615 1.666 3.100 1.00 0.40 N ATOM 540 CA CYS A 35 -15.172 1.865 3.032 1.00 0.44 C ATOM 541 C CYS A 35 -14.441 0.876 3.936 1.00 0.39 C ATOM 542 O CYS A 35 -14.858 0.627 5.067 1.00 0.61 O ATOM 543 CB CYS A 35 -14.815 3.298 3.432 1.00 0.72 C ATOM 544 SG CYS A 35 -15.571 4.566 2.389 1.00 1.60 S ATOM 0 H CYS A 35 -17.025 1.859 4.014 1.00 0.40 H new ATOM 0 HA CYS A 35 -14.855 1.691 2.004 1.00 0.44 H new ATOM 0 HB2 CYS A 35 -15.122 3.462 4.465 1.00 0.72 H new ATOM 0 HB3 CYS A 35 -13.732 3.414 3.399 1.00 0.72 H new ATOM 0 HG CYS A 35 -15.212 5.743 2.808 1.00 1.60 H new ATOM 550 N GLU A 36 -13.349 0.316 3.427 1.00 0.32 N ATOM 551 CA GLU A 36 -12.556 -0.647 4.184 1.00 0.43 C ATOM 552 C GLU A 36 -11.076 -0.276 4.145 1.00 0.34 C ATOM 553 O GLU A 36 -10.660 0.570 3.353 1.00 0.36 O ATOM 554 CB GLU A 36 -12.760 -2.055 3.623 1.00 0.63 C ATOM 555 CG GLU A 36 -14.191 -2.555 3.744 1.00 1.20 C ATOM 556 CD GLU A 36 -14.644 -2.681 5.185 1.00 1.70 C ATOM 557 OE1 GLU A 36 -14.387 -3.739 5.798 1.00 2.22 O ATOM 558 OE2 GLU A 36 -15.257 -1.723 5.700 1.00 2.27 O ATOM 0 H GLU A 36 -12.992 0.512 2.492 1.00 0.32 H new ATOM 0 HA GLU A 36 -12.889 -0.627 5.222 1.00 0.43 H new ATOM 0 HB2 GLU A 36 -12.468 -2.065 2.573 1.00 0.63 H new ATOM 0 HB3 GLU A 36 -12.097 -2.745 4.145 1.00 0.63 H new ATOM 0 HG2 GLU A 36 -14.857 -1.872 3.216 1.00 1.20 H new ATOM 0 HG3 GLU A 36 -14.276 -3.525 3.254 1.00 1.20 H new ATOM 565 N TRP A 37 -10.285 -0.912 5.003 1.00 0.40 N ATOM 566 CA TRP A 37 -8.854 -0.641 5.071 1.00 0.33 C ATOM 567 C TRP A 37 -8.039 -1.784 4.476 1.00 0.35 C ATOM 568 O TRP A 37 -8.425 -2.949 4.569 1.00 0.46 O ATOM 569 CB TRP A 37 -8.436 -0.416 6.523 1.00 0.38 C ATOM 570 CG TRP A 37 -9.037 0.818 7.123 1.00 0.39 C ATOM 571 CD1 TRP A 37 -9.394 1.957 6.460 1.00 0.45 C ATOM 572 CD2 TRP A 37 -9.350 1.042 8.504 1.00 0.46 C ATOM 573 NE1 TRP A 37 -9.912 2.874 7.342 1.00 0.51 N ATOM 574 CE2 TRP A 37 -9.895 2.337 8.602 1.00 0.50 C ATOM 575 CE3 TRP A 37 -9.224 0.275 9.665 1.00 0.58 C ATOM 576 CZ2 TRP A 37 -10.314 2.880 9.815 1.00 0.61 C ATOM 577 CZ3 TRP A 37 -9.640 0.816 10.868 1.00 0.71 C ATOM 578 CH2 TRP A 37 -10.179 2.107 10.935 1.00 0.70 C ATOM 0 H TRP A 37 -10.611 -1.619 5.661 1.00 0.40 H new ATOM 0 HA TRP A 37 -8.657 0.257 4.486 1.00 0.33 H new ATOM 0 HB2 TRP A 37 -8.729 -1.281 7.117 1.00 0.38 H new ATOM 0 HB3 TRP A 37 -7.350 -0.346 6.575 1.00 0.38 H new ATOM 0 HD1 TRP A 37 -9.285 2.114 5.397 1.00 0.45 H new ATOM 0 HE1 TRP A 37 -10.254 3.804 7.098 1.00 0.51 H new ATOM 0 HE3 TRP A 37 -8.810 -0.721 9.624 1.00 0.58 H new ATOM 0 HZ2 TRP A 37 -10.730 3.875 9.869 1.00 0.61 H new ATOM 0 HZ3 TRP A 37 -9.548 0.232 11.772 1.00 0.71 H new ATOM 0 HH2 TRP A 37 -10.494 2.500 11.890 1.00 0.70 H new ATOM 589 N VAL A 38 -6.905 -1.441 3.871 1.00 0.28 N ATOM 590 CA VAL A 38 -6.028 -2.443 3.273 1.00 0.37 C ATOM 591 C VAL A 38 -5.029 -2.955 4.301 1.00 0.36 C ATOM 592 O VAL A 38 -4.775 -2.299 5.311 1.00 0.31 O ATOM 593 CB VAL A 38 -5.259 -1.884 2.060 1.00 0.41 C ATOM 594 CG1 VAL A 38 -4.351 -2.951 1.464 1.00 0.65 C ATOM 595 CG2 VAL A 38 -6.229 -1.354 1.019 1.00 0.46 C ATOM 0 H VAL A 38 -6.573 -0.481 3.782 1.00 0.28 H new ATOM 0 HA VAL A 38 -6.664 -3.260 2.931 1.00 0.37 H new ATOM 0 HB VAL A 38 -4.633 -1.057 2.395 1.00 0.41 H new ATOM 0 HG11 VAL A 38 -3.816 -2.538 0.609 1.00 0.65 H new ATOM 0 HG12 VAL A 38 -3.634 -3.280 2.216 1.00 0.65 H new ATOM 0 HG13 VAL A 38 -4.952 -3.801 1.140 1.00 0.65 H new ATOM 0 HG21 VAL A 38 -5.671 -0.962 0.168 1.00 0.46 H new ATOM 0 HG22 VAL A 38 -6.881 -2.161 0.685 1.00 0.46 H new ATOM 0 HG23 VAL A 38 -6.832 -0.557 1.455 1.00 0.46 H new ATOM 605 N LYS A 39 -4.465 -4.127 4.040 1.00 0.46 N ATOM 606 CA LYS A 39 -3.508 -4.724 4.958 1.00 0.48 C ATOM 607 C LYS A 39 -2.125 -4.112 4.812 1.00 0.38 C ATOM 608 O LYS A 39 -1.344 -4.506 3.946 1.00 0.45 O ATOM 609 CB LYS A 39 -3.441 -6.239 4.752 1.00 0.63 C ATOM 610 CG LYS A 39 -2.500 -6.945 5.715 1.00 0.67 C ATOM 611 CD LYS A 39 -2.291 -8.399 5.324 1.00 1.09 C ATOM 612 CE LYS A 39 -1.372 -9.112 6.303 1.00 1.61 C ATOM 613 NZ LYS A 39 -1.063 -10.502 5.865 1.00 2.32 N ATOM 0 H LYS A 39 -4.653 -4.680 3.204 1.00 0.46 H new ATOM 0 HA LYS A 39 -3.856 -4.517 5.970 1.00 0.48 H new ATOM 0 HB2 LYS A 39 -4.442 -6.657 4.864 1.00 0.63 H new ATOM 0 HB3 LYS A 39 -3.122 -6.444 3.730 1.00 0.63 H new ATOM 0 HG2 LYS A 39 -1.540 -6.430 5.731 1.00 0.67 H new ATOM 0 HG3 LYS A 39 -2.906 -6.893 6.725 1.00 0.67 H new ATOM 0 HD2 LYS A 39 -3.253 -8.909 5.289 1.00 1.09 H new ATOM 0 HD3 LYS A 39 -1.866 -8.450 4.321 1.00 1.09 H new ATOM 0 HE2 LYS A 39 -0.444 -8.549 6.405 1.00 1.61 H new ATOM 0 HE3 LYS A 39 -1.840 -9.137 7.287 1.00 1.61 H new ATOM 0 HZ1 LYS A 39 -0.434 -10.953 6.560 1.00 2.32 H new ATOM 0 HZ2 LYS A 39 -1.946 -11.047 5.792 1.00 2.32 H new ATOM 0 HZ3 LYS A 39 -0.593 -10.477 4.937 1.00 2.32 H new ATOM 627 N GLY A 40 -1.833 -3.144 5.673 1.00 0.32 N ATOM 628 CA GLY A 40 -0.541 -2.494 5.647 1.00 0.27 C ATOM 629 C GLY A 40 0.465 -3.145 6.571 1.00 0.28 C ATOM 630 O GLY A 40 1.171 -2.463 7.312 1.00 0.35 O ATOM 0 H GLY A 40 -2.471 -2.799 6.390 1.00 0.32 H new ATOM 0 HA2 GLY A 40 -0.153 -2.508 4.628 1.00 0.27 H new ATOM 0 HA3 GLY A 40 -0.661 -1.448 5.928 1.00 0.27 H new ATOM 634 N VAL A 41 0.515 -4.468 6.540 1.00 0.29 N ATOM 635 CA VAL A 41 1.469 -5.215 7.349 1.00 0.39 C ATOM 636 C VAL A 41 2.377 -6.038 6.447 1.00 0.38 C ATOM 637 O VAL A 41 3.091 -6.928 6.913 1.00 0.45 O ATOM 638 CB VAL A 41 0.790 -6.182 8.339 1.00 0.50 C ATOM 639 CG1 VAL A 41 1.630 -6.327 9.598 1.00 0.68 C ATOM 640 CG2 VAL A 41 -0.626 -5.734 8.682 1.00 0.51 C ATOM 0 H VAL A 41 -0.094 -5.048 5.963 1.00 0.29 H new ATOM 0 HA VAL A 41 2.031 -4.476 7.919 1.00 0.39 H new ATOM 0 HB VAL A 41 0.715 -7.156 7.855 1.00 0.50 H new ATOM 0 HG11 VAL A 41 1.137 -7.013 10.287 1.00 0.68 H new ATOM 0 HG12 VAL A 41 2.613 -6.719 9.336 1.00 0.68 H new ATOM 0 HG13 VAL A 41 1.743 -5.353 10.074 1.00 0.68 H new ATOM 0 HG21 VAL A 41 -1.072 -6.441 9.382 1.00 0.51 H new ATOM 0 HG22 VAL A 41 -0.594 -4.744 9.137 1.00 0.51 H new ATOM 0 HG23 VAL A 41 -1.226 -5.697 7.773 1.00 0.51 H new ATOM 650 N HIS A 42 2.346 -5.742 5.150 1.00 0.35 N ATOM 651 CA HIS A 42 3.153 -6.469 4.194 1.00 0.40 C ATOM 652 C HIS A 42 4.551 -5.919 4.136 1.00 0.36 C ATOM 653 O HIS A 42 4.903 -5.147 3.248 1.00 0.31 O ATOM 654 CB HIS A 42 2.484 -6.475 2.821 1.00 0.43 C ATOM 655 CG HIS A 42 2.237 -7.858 2.302 1.00 0.64 C ATOM 656 ND1 HIS A 42 0.985 -8.433 2.263 1.00 1.35 N ATOM 657 CD2 HIS A 42 3.092 -8.789 1.817 1.00 1.27 C ATOM 658 CE1 HIS A 42 1.079 -9.658 1.778 1.00 1.32 C ATOM 659 NE2 HIS A 42 2.347 -9.898 1.499 1.00 1.17 N ATOM 0 H HIS A 42 1.770 -5.004 4.745 1.00 0.35 H new ATOM 0 HA HIS A 42 3.232 -7.504 4.526 1.00 0.40 H new ATOM 0 HB2 HIS A 42 1.536 -5.940 2.881 1.00 0.43 H new ATOM 0 HB3 HIS A 42 3.112 -5.933 2.114 1.00 0.43 H new ATOM 0 HD1 HIS A 42 0.120 -7.983 2.562 1.00 1.35 H new ATOM 0 HD2 HIS A 42 4.160 -8.680 1.702 1.00 1.27 H new ATOM 0 HE1 HIS A 42 0.259 -10.346 1.634 1.00 1.32 H new ATOM 668 N VAL A 43 5.329 -6.351 5.119 1.00 0.43 N ATOM 669 CA VAL A 43 6.722 -5.956 5.261 1.00 0.44 C ATOM 670 C VAL A 43 7.554 -6.325 4.048 1.00 0.44 C ATOM 671 O VAL A 43 8.369 -7.246 4.082 1.00 0.54 O ATOM 672 CB VAL A 43 7.351 -6.568 6.531 1.00 0.55 C ATOM 673 CG1 VAL A 43 7.181 -8.079 6.546 1.00 1.49 C ATOM 674 CG2 VAL A 43 8.822 -6.189 6.653 1.00 1.34 C ATOM 0 H VAL A 43 5.008 -6.991 5.846 1.00 0.43 H new ATOM 0 HA VAL A 43 6.724 -4.870 5.350 1.00 0.44 H new ATOM 0 HB VAL A 43 6.826 -6.158 7.394 1.00 0.55 H new ATOM 0 HG11 VAL A 43 7.632 -8.487 7.450 1.00 1.49 H new ATOM 0 HG12 VAL A 43 6.120 -8.326 6.527 1.00 1.49 H new ATOM 0 HG13 VAL A 43 7.669 -8.509 5.671 1.00 1.49 H new ATOM 0 HG21 VAL A 43 9.239 -6.634 7.557 1.00 1.34 H new ATOM 0 HG22 VAL A 43 9.366 -6.557 5.783 1.00 1.34 H new ATOM 0 HG23 VAL A 43 8.915 -5.104 6.707 1.00 1.34 H new ATOM 684 N ALA A 44 7.328 -5.597 2.972 1.00 0.36 N ATOM 685 CA ALA A 44 8.078 -5.787 1.753 1.00 0.42 C ATOM 686 C ALA A 44 9.273 -4.856 1.767 1.00 0.41 C ATOM 687 O ALA A 44 9.511 -4.107 0.820 1.00 0.45 O ATOM 688 CB ALA A 44 7.204 -5.540 0.533 1.00 0.48 C ATOM 0 H ALA A 44 6.623 -4.862 2.921 1.00 0.36 H new ATOM 0 HA ALA A 44 8.425 -6.819 1.695 1.00 0.42 H new ATOM 0 HB1 ALA A 44 7.792 -5.690 -0.372 1.00 0.48 H new ATOM 0 HB2 ALA A 44 6.365 -6.236 0.540 1.00 0.48 H new ATOM 0 HB3 ALA A 44 6.827 -4.517 0.556 1.00 0.48 H new ATOM 694 N GLU A 45 10.027 -4.914 2.865 1.00 0.43 N ATOM 695 CA GLU A 45 11.206 -4.069 3.043 1.00 0.49 C ATOM 696 C GLU A 45 12.040 -4.048 1.777 1.00 0.53 C ATOM 697 O GLU A 45 12.738 -3.079 1.491 1.00 0.62 O ATOM 698 CB GLU A 45 12.047 -4.562 4.221 1.00 0.58 C ATOM 699 CG GLU A 45 13.317 -3.756 4.438 1.00 1.27 C ATOM 700 CD GLU A 45 14.129 -4.251 5.619 1.00 1.96 C ATOM 701 OE1 GLU A 45 14.959 -5.165 5.427 1.00 2.44 O ATOM 702 OE2 GLU A 45 13.937 -3.725 6.735 1.00 2.42 O ATOM 0 H GLU A 45 9.840 -5.541 3.648 1.00 0.43 H new ATOM 0 HA GLU A 45 10.870 -3.054 3.256 1.00 0.49 H new ATOM 0 HB2 GLU A 45 11.444 -4.526 5.128 1.00 0.58 H new ATOM 0 HB3 GLU A 45 12.312 -5.606 4.056 1.00 0.58 H new ATOM 0 HG2 GLU A 45 13.929 -3.800 3.537 1.00 1.27 H new ATOM 0 HG3 GLU A 45 13.056 -2.709 4.595 1.00 1.27 H new ATOM 709 N ASP A 46 11.957 -5.130 1.021 1.00 0.54 N ATOM 710 CA ASP A 46 12.682 -5.226 -0.236 1.00 0.62 C ATOM 711 C ASP A 46 12.095 -4.248 -1.239 1.00 0.65 C ATOM 712 O ASP A 46 12.815 -3.457 -1.846 1.00 0.75 O ATOM 713 CB ASP A 46 12.614 -6.647 -0.791 1.00 0.68 C ATOM 714 CG ASP A 46 13.143 -7.678 0.187 1.00 1.64 C ATOM 715 OD1 ASP A 46 14.370 -7.916 0.194 1.00 1.96 O ATOM 716 OD2 ASP A 46 12.332 -8.246 0.947 1.00 2.48 O ATOM 0 H ASP A 46 11.398 -5.951 1.254 1.00 0.54 H new ATOM 0 HA ASP A 46 13.728 -4.978 -0.057 1.00 0.62 H new ATOM 0 HB2 ASP A 46 11.581 -6.886 -1.043 1.00 0.68 H new ATOM 0 HB3 ASP A 46 13.188 -6.700 -1.716 1.00 0.68 H new ATOM 721 N VAL A 47 10.774 -4.292 -1.388 1.00 0.62 N ATOM 722 CA VAL A 47 10.085 -3.405 -2.312 1.00 0.72 C ATOM 723 C VAL A 47 10.394 -1.957 -1.967 1.00 0.75 C ATOM 724 O VAL A 47 10.712 -1.175 -2.831 1.00 0.88 O ATOM 725 CB VAL A 47 8.561 -3.632 -2.282 1.00 0.73 C ATOM 726 CG1 VAL A 47 7.858 -2.669 -3.224 1.00 0.84 C ATOM 727 CG2 VAL A 47 8.237 -5.071 -2.648 1.00 0.76 C ATOM 0 H VAL A 47 10.163 -4.932 -0.881 1.00 0.62 H new ATOM 0 HA VAL A 47 10.441 -3.628 -3.318 1.00 0.72 H new ATOM 0 HB VAL A 47 8.201 -3.442 -1.271 1.00 0.73 H new ATOM 0 HG11 VAL A 47 6.783 -2.845 -3.189 1.00 0.84 H new ATOM 0 HG12 VAL A 47 8.068 -1.644 -2.919 1.00 0.84 H new ATOM 0 HG13 VAL A 47 8.218 -2.826 -4.241 1.00 0.84 H new ATOM 0 HG21 VAL A 47 7.157 -5.218 -2.623 1.00 0.76 H new ATOM 0 HG22 VAL A 47 8.609 -5.284 -3.650 1.00 0.76 H new ATOM 0 HG23 VAL A 47 8.712 -5.744 -1.934 1.00 0.76 H new ATOM 737 N ALA A 48 10.295 -1.650 -0.682 1.00 0.68 N ATOM 738 CA ALA A 48 10.560 -0.329 -0.111 1.00 0.77 C ATOM 739 C ALA A 48 12.036 0.025 -0.211 1.00 0.86 C ATOM 740 O ALA A 48 12.405 1.027 -0.823 1.00 0.99 O ATOM 741 CB ALA A 48 10.125 -0.306 1.346 1.00 0.70 C ATOM 0 H ALA A 48 10.018 -2.336 0.021 1.00 0.68 H new ATOM 0 HA ALA A 48 9.993 0.410 -0.677 1.00 0.77 H new ATOM 0 HB1 ALA A 48 10.323 0.679 1.769 1.00 0.70 H new ATOM 0 HB2 ALA A 48 9.058 -0.521 1.411 1.00 0.70 H new ATOM 0 HB3 ALA A 48 10.681 -1.059 1.904 1.00 0.70 H new ATOM 747 N LYS A 49 12.880 -0.806 0.397 1.00 0.81 N ATOM 748 CA LYS A 49 14.317 -0.573 0.371 1.00 0.92 C ATOM 749 C LYS A 49 14.790 -0.446 -1.066 1.00 0.98 C ATOM 750 O LYS A 49 15.728 0.291 -1.365 1.00 1.11 O ATOM 751 CB LYS A 49 15.065 -1.710 1.072 1.00 0.90 C ATOM 752 CG LYS A 49 14.879 -1.725 2.582 1.00 1.34 C ATOM 753 CD LYS A 49 15.513 -0.508 3.235 1.00 2.07 C ATOM 754 CE LYS A 49 15.371 -0.554 4.749 1.00 2.67 C ATOM 755 NZ LYS A 49 16.015 0.619 5.403 1.00 3.35 N ATOM 0 H LYS A 49 12.594 -1.640 0.909 1.00 0.81 H new ATOM 0 HA LYS A 49 14.528 0.354 0.904 1.00 0.92 H new ATOM 0 HB2 LYS A 49 14.726 -2.662 0.664 1.00 0.90 H new ATOM 0 HB3 LYS A 49 16.128 -1.627 0.847 1.00 0.90 H new ATOM 0 HG2 LYS A 49 13.815 -1.753 2.818 1.00 1.34 H new ATOM 0 HG3 LYS A 49 15.321 -2.632 2.995 1.00 1.34 H new ATOM 0 HD2 LYS A 49 16.569 -0.459 2.968 1.00 2.07 H new ATOM 0 HD3 LYS A 49 15.044 0.398 2.851 1.00 2.07 H new ATOM 0 HE2 LYS A 49 14.314 -0.582 5.014 1.00 2.67 H new ATOM 0 HE3 LYS A 49 15.819 -1.472 5.128 1.00 2.67 H new ATOM 0 HZ1 LYS A 49 15.896 0.550 6.434 1.00 3.35 H new ATOM 0 HZ2 LYS A 49 17.029 0.632 5.171 1.00 3.35 H new ATOM 0 HZ3 LYS A 49 15.570 1.495 5.061 1.00 3.35 H new ATOM 769 N ASP A 50 14.144 -1.187 -1.953 1.00 0.91 N ATOM 770 CA ASP A 50 14.484 -1.145 -3.361 1.00 1.00 C ATOM 771 C ASP A 50 13.639 -0.101 -4.091 1.00 1.12 C ATOM 772 O ASP A 50 13.993 0.344 -5.183 1.00 1.28 O ATOM 773 CB ASP A 50 14.336 -2.543 -3.988 1.00 0.94 C ATOM 774 CG ASP A 50 12.946 -2.863 -4.526 1.00 1.38 C ATOM 775 OD1 ASP A 50 12.412 -2.071 -5.330 1.00 1.45 O ATOM 776 OD2 ASP A 50 12.405 -3.929 -4.163 1.00 2.00 O ATOM 0 H ASP A 50 13.382 -1.824 -1.720 1.00 0.91 H new ATOM 0 HA ASP A 50 15.527 -0.845 -3.463 1.00 1.00 H new ATOM 0 HB2 ASP A 50 15.055 -2.638 -4.802 1.00 0.94 H new ATOM 0 HB3 ASP A 50 14.601 -3.290 -3.240 1.00 0.94 H new ATOM 781 N TYR A 51 12.517 0.286 -3.485 1.00 1.07 N ATOM 782 CA TYR A 51 11.638 1.268 -4.089 1.00 1.22 C ATOM 783 C TYR A 51 12.267 2.643 -3.996 1.00 1.37 C ATOM 784 O TYR A 51 12.569 3.286 -5.001 1.00 1.51 O ATOM 785 CB TYR A 51 10.268 1.320 -3.413 1.00 1.20 C ATOM 786 CG TYR A 51 9.161 0.537 -4.111 1.00 1.26 C ATOM 787 CD1 TYR A 51 9.425 -0.314 -5.185 1.00 1.68 C ATOM 788 CD2 TYR A 51 7.838 0.664 -3.696 1.00 1.11 C ATOM 789 CE1 TYR A 51 8.408 -1.006 -5.816 1.00 1.87 C ATOM 790 CE2 TYR A 51 6.819 -0.029 -4.322 1.00 1.18 C ATOM 791 CZ TYR A 51 7.109 -0.860 -5.382 1.00 1.57 C ATOM 792 OH TYR A 51 6.096 -1.548 -6.010 1.00 1.77 O ATOM 0 H TYR A 51 12.202 -0.067 -2.581 1.00 1.07 H new ATOM 0 HA TYR A 51 11.497 0.970 -5.128 1.00 1.22 H new ATOM 0 HB2 TYR A 51 10.370 0.943 -2.395 1.00 1.20 H new ATOM 0 HB3 TYR A 51 9.959 2.363 -3.337 1.00 1.20 H new ATOM 0 HD1 TYR A 51 10.442 -0.434 -5.529 1.00 1.68 H new ATOM 0 HD2 TYR A 51 7.603 1.317 -2.868 1.00 1.11 H new ATOM 0 HE1 TYR A 51 8.631 -1.659 -6.647 1.00 1.87 H new ATOM 0 HE2 TYR A 51 5.800 0.080 -3.982 1.00 1.18 H new ATOM 0 HH TYR A 51 5.241 -1.335 -5.581 1.00 1.77 H new ATOM 802 N GLU A 52 12.463 3.070 -2.754 1.00 1.35 N ATOM 803 CA GLU A 52 13.032 4.377 -2.468 1.00 1.51 C ATOM 804 C GLU A 52 14.547 4.304 -2.320 1.00 1.55 C ATOM 805 O GLU A 52 15.281 5.081 -2.931 1.00 1.70 O ATOM 806 CB GLU A 52 12.410 4.964 -1.197 1.00 1.52 C ATOM 807 CG GLU A 52 12.842 4.259 0.077 1.00 1.43 C ATOM 808 CD GLU A 52 12.113 4.772 1.302 1.00 1.44 C ATOM 809 OE1 GLU A 52 12.447 5.880 1.771 1.00 1.77 O ATOM 810 OE2 GLU A 52 11.208 4.067 1.794 1.00 1.20 O ATOM 0 H GLU A 52 12.233 2.523 -1.924 1.00 1.35 H new ATOM 0 HA GLU A 52 12.805 5.028 -3.312 1.00 1.51 H new ATOM 0 HB2 GLU A 52 12.677 6.018 -1.126 1.00 1.52 H new ATOM 0 HB3 GLU A 52 11.324 4.915 -1.279 1.00 1.52 H new ATOM 0 HG2 GLU A 52 12.663 3.189 -0.026 1.00 1.43 H new ATOM 0 HG3 GLU A 52 13.915 4.391 0.215 1.00 1.43 H new ATOM 817 N ASP A 53 15.007 3.364 -1.502 1.00 1.43 N ATOM 818 CA ASP A 53 16.431 3.189 -1.258 1.00 1.48 C ATOM 819 C ASP A 53 17.120 2.512 -2.439 1.00 1.47 C ATOM 820 O ASP A 53 18.337 2.606 -2.593 1.00 1.59 O ATOM 821 CB ASP A 53 16.646 2.379 0.022 1.00 1.40 C ATOM 822 CG ASP A 53 16.878 3.263 1.231 1.00 1.76 C ATOM 823 OD1 ASP A 53 15.893 3.835 1.745 1.00 2.30 O ATOM 824 OD2 ASP A 53 18.042 3.383 1.666 1.00 1.84 O ATOM 0 H ASP A 53 14.410 2.710 -0.996 1.00 1.43 H new ATOM 0 HA ASP A 53 16.878 4.176 -1.136 1.00 1.48 H new ATOM 0 HB2 ASP A 53 15.776 1.746 0.199 1.00 1.40 H new ATOM 0 HB3 ASP A 53 17.501 1.716 -0.110 1.00 1.40 H new ATOM 829 N GLY A 54 16.339 1.830 -3.271 1.00 1.36 N ATOM 830 CA GLY A 54 16.904 1.162 -4.428 1.00 1.37 C ATOM 831 C GLY A 54 17.423 2.146 -5.457 1.00 1.49 C ATOM 832 O GLY A 54 18.503 1.961 -6.015 1.00 1.61 O ATOM 0 H GLY A 54 15.330 1.728 -3.165 1.00 1.36 H new ATOM 0 HA2 GLY A 54 17.717 0.510 -4.109 1.00 1.37 H new ATOM 0 HA3 GLY A 54 16.146 0.526 -4.885 1.00 1.37 H new ATOM 836 N LEU A 55 16.648 3.199 -5.705 1.00 1.49 N ATOM 837 CA LEU A 55 17.033 4.224 -6.666 1.00 1.63 C ATOM 838 C LEU A 55 18.003 5.217 -6.033 1.00 1.70 C ATOM 839 O LEU A 55 19.158 5.325 -6.448 1.00 1.78 O ATOM 840 CB LEU A 55 15.795 4.960 -7.184 1.00 1.67 C ATOM 841 CG LEU A 55 14.842 4.112 -8.028 1.00 1.85 C ATOM 842 CD1 LEU A 55 13.662 4.947 -8.500 1.00 2.26 C ATOM 843 CD2 LEU A 55 15.575 3.505 -9.215 1.00 2.34 C ATOM 0 H LEU A 55 15.749 3.363 -5.252 1.00 1.49 H new ATOM 0 HA LEU A 55 17.531 3.737 -7.504 1.00 1.63 H new ATOM 0 HB2 LEU A 55 15.244 5.358 -6.331 1.00 1.67 H new ATOM 0 HB3 LEU A 55 16.121 5.813 -7.779 1.00 1.67 H new ATOM 0 HG LEU A 55 14.463 3.300 -7.407 1.00 1.85 H new ATOM 0 HD11 LEU A 55 12.994 4.328 -9.099 1.00 2.26 H new ATOM 0 HD12 LEU A 55 13.121 5.333 -7.636 1.00 2.26 H new ATOM 0 HD13 LEU A 55 14.024 5.779 -9.104 1.00 2.26 H new ATOM 0 HD21 LEU A 55 14.881 2.905 -9.803 1.00 2.34 H new ATOM 0 HD22 LEU A 55 15.983 4.302 -9.837 1.00 2.34 H new ATOM 0 HD23 LEU A 55 16.387 2.872 -8.856 1.00 2.34 H new ATOM 855 N GLU A 56 17.525 5.941 -5.025 1.00 1.70 N ATOM 856 CA GLU A 56 18.349 6.921 -4.329 1.00 1.80 C ATOM 857 C GLU A 56 19.184 6.249 -3.246 1.00 1.75 C ATOM 858 O GLU A 56 19.046 6.550 -2.061 1.00 1.78 O ATOM 859 CB GLU A 56 17.477 8.010 -3.712 1.00 1.87 C ATOM 860 CG GLU A 56 16.727 8.844 -4.738 1.00 1.94 C ATOM 861 CD GLU A 56 17.655 9.651 -5.624 1.00 2.37 C ATOM 862 OE1 GLU A 56 17.981 10.799 -5.254 1.00 2.57 O ATOM 863 OE2 GLU A 56 18.058 9.135 -6.688 1.00 2.95 O ATOM 0 H GLU A 56 16.571 5.867 -4.673 1.00 1.70 H new ATOM 0 HA GLU A 56 19.021 7.377 -5.056 1.00 1.80 H new ATOM 0 HB2 GLU A 56 16.758 7.548 -3.036 1.00 1.87 H new ATOM 0 HB3 GLU A 56 18.104 8.668 -3.110 1.00 1.87 H new ATOM 0 HG2 GLU A 56 16.118 8.187 -5.359 1.00 1.94 H new ATOM 0 HG3 GLU A 56 16.044 9.519 -4.223 1.00 1.94 H new ATOM 870 N TYR A 57 20.050 5.335 -3.666 1.00 1.71 N ATOM 871 CA TYR A 57 20.909 4.610 -2.738 1.00 1.68 C ATOM 872 C TYR A 57 22.168 5.411 -2.423 1.00 1.81 C ATOM 873 O TYR A 57 22.153 6.174 -1.434 1.00 2.23 O ATOM 874 CB TYR A 57 21.282 3.245 -3.321 1.00 1.60 C ATOM 875 CG TYR A 57 22.133 2.400 -2.401 1.00 1.59 C ATOM 876 CD1 TYR A 57 23.516 2.540 -2.382 1.00 1.67 C ATOM 877 CD2 TYR A 57 21.557 1.465 -1.550 1.00 1.54 C ATOM 878 CE1 TYR A 57 24.299 1.771 -1.544 1.00 1.68 C ATOM 879 CE2 TYR A 57 22.335 0.693 -0.708 1.00 1.58 C ATOM 880 CZ TYR A 57 23.694 0.841 -0.707 1.00 1.64 C ATOM 881 OH TYR A 57 24.482 0.082 0.127 1.00 1.69 O ATOM 882 OXT TYR A 57 23.160 5.273 -3.171 1.00 2.06 O ATOM 0 H TYR A 57 20.176 5.078 -4.645 1.00 1.71 H new ATOM 0 HA TYR A 57 20.359 4.460 -1.809 1.00 1.68 H new ATOM 0 HB2 TYR A 57 20.368 2.700 -3.558 1.00 1.60 H new ATOM 0 HB3 TYR A 57 21.816 3.395 -4.259 1.00 1.60 H new ATOM 0 HD1 TYR A 57 23.986 3.262 -3.033 1.00 1.67 H new ATOM 0 HD2 TYR A 57 20.484 1.339 -1.546 1.00 1.54 H new ATOM 0 HE1 TYR A 57 25.372 1.891 -1.539 1.00 1.68 H new ATOM 0 HE2 TYR A 57 21.869 -0.027 -0.051 1.00 1.58 H new ATOM 0 HH TYR A 57 23.916 -0.522 0.652 1.00 1.69 H new TER 892 TYR A 57 ATOM 893 N ALA B 1 -16.331 -10.812 1.084 1.00 5.20 N ATOM 894 CA ALA B 1 -15.937 -9.494 0.526 1.00 4.69 C ATOM 895 C ALA B 1 -14.524 -9.112 0.961 1.00 3.91 C ATOM 896 O ALA B 1 -14.138 -9.343 2.107 1.00 3.61 O ATOM 897 CB ALA B 1 -16.925 -8.423 0.959 1.00 4.99 C ATOM 0 H1 ALA B 1 -16.362 -11.517 0.320 1.00 5.20 H new ATOM 0 H2 ALA B 1 -15.637 -11.107 1.800 1.00 5.20 H new ATOM 0 H3 ALA B 1 -17.271 -10.736 1.524 1.00 5.20 H new ATOM 0 HA ALA B 1 -15.948 -9.571 -0.561 1.00 4.69 H new ATOM 0 HB1 ALA B 1 -16.625 -7.461 0.543 1.00 4.99 H new ATOM 0 HB2 ALA B 1 -17.921 -8.679 0.598 1.00 4.99 H new ATOM 0 HB3 ALA B 1 -16.939 -8.359 2.047 1.00 4.99 H new ATOM 905 N PRO B 2 -13.733 -8.521 0.047 1.00 3.99 N ATOM 906 CA PRO B 2 -12.361 -8.102 0.346 1.00 3.65 C ATOM 907 C PRO B 2 -12.318 -6.863 1.236 1.00 2.77 C ATOM 908 O PRO B 2 -13.106 -5.934 1.052 1.00 2.79 O ATOM 909 CB PRO B 2 -11.782 -7.784 -1.035 1.00 4.44 C ATOM 910 CG PRO B 2 -12.962 -7.393 -1.854 1.00 5.12 C ATOM 911 CD PRO B 2 -14.111 -8.219 -1.347 1.00 4.90 C ATOM 0 HA PRO B 2 -11.808 -8.867 0.891 1.00 3.65 H new ATOM 0 HB2 PRO B 2 -11.051 -6.977 -0.982 1.00 4.44 H new ATOM 0 HB3 PRO B 2 -11.273 -8.649 -1.460 1.00 4.44 H new ATOM 0 HG2 PRO B 2 -13.172 -6.328 -1.752 1.00 5.12 H new ATOM 0 HG3 PRO B 2 -12.782 -7.583 -2.912 1.00 5.12 H new ATOM 0 HD2 PRO B 2 -15.052 -7.671 -1.397 1.00 4.90 H new ATOM 0 HD3 PRO B 2 -14.240 -9.129 -1.933 1.00 4.90 H new ATOM 919 N PRO B 3 -11.395 -6.827 2.213 1.00 2.55 N ATOM 920 CA PRO B 3 -11.263 -5.692 3.130 1.00 2.38 C ATOM 921 C PRO B 3 -10.628 -4.478 2.460 1.00 2.11 C ATOM 922 O PRO B 3 -9.482 -4.132 2.742 1.00 2.74 O ATOM 923 CB PRO B 3 -10.348 -6.234 4.228 1.00 3.12 C ATOM 924 CG PRO B 3 -9.524 -7.271 3.549 1.00 3.56 C ATOM 925 CD PRO B 3 -10.409 -7.887 2.499 1.00 3.22 C ATOM 0 HA PRO B 3 -12.230 -5.344 3.493 1.00 2.38 H new ATOM 0 HB2 PRO B 3 -9.725 -5.446 4.650 1.00 3.12 H new ATOM 0 HB3 PRO B 3 -10.924 -6.660 5.050 1.00 3.12 H new ATOM 0 HG2 PRO B 3 -8.635 -6.829 3.099 1.00 3.56 H new ATOM 0 HG3 PRO B 3 -9.181 -8.023 4.260 1.00 3.56 H new ATOM 0 HD2 PRO B 3 -9.844 -8.160 1.608 1.00 3.22 H new ATOM 0 HD3 PRO B 3 -10.890 -8.795 2.862 1.00 3.22 H new ATOM 933 N GLY B 4 -11.380 -3.837 1.570 1.00 1.73 N ATOM 934 CA GLY B 4 -10.875 -2.666 0.871 1.00 1.69 C ATOM 935 C GLY B 4 -9.484 -2.877 0.308 1.00 1.53 C ATOM 936 O GLY B 4 -8.492 -2.741 1.020 1.00 2.11 O ATOM 0 H GLY B 4 -12.331 -4.107 1.319 1.00 1.73 H new ATOM 0 HA2 GLY B 4 -11.556 -2.410 0.059 1.00 1.69 H new ATOM 0 HA3 GLY B 4 -10.861 -1.817 1.555 1.00 1.69 H new ATOM 940 N THR B 5 -9.417 -3.220 -0.972 1.00 1.20 N ATOM 941 CA THR B 5 -8.140 -3.461 -1.640 1.00 1.17 C ATOM 942 C THR B 5 -8.237 -3.218 -3.144 1.00 1.11 C ATOM 943 O THR B 5 -9.273 -3.482 -3.756 1.00 1.30 O ATOM 944 CB THR B 5 -7.636 -4.896 -1.397 1.00 1.49 C ATOM 945 OG1 THR B 5 -8.580 -5.841 -1.914 1.00 1.85 O ATOM 946 CG2 THR B 5 -7.417 -5.150 0.086 1.00 1.82 C ATOM 0 H THR B 5 -10.233 -3.338 -1.572 1.00 1.20 H new ATOM 0 HA THR B 5 -7.430 -2.755 -1.209 1.00 1.17 H new ATOM 0 HB THR B 5 -6.683 -5.015 -1.913 1.00 1.49 H new ATOM 0 HG1 THR B 5 -8.251 -6.751 -1.757 1.00 1.85 H new ATOM 0 HG21 THR B 5 -7.061 -6.170 0.232 1.00 1.82 H new ATOM 0 HG22 THR B 5 -6.676 -4.449 0.470 1.00 1.82 H new ATOM 0 HG23 THR B 5 -8.357 -5.014 0.621 1.00 1.82 H new ATOM 954 N ALA B 6 -7.156 -2.715 -3.740 1.00 1.15 N ATOM 955 CA ALA B 6 -7.139 -2.464 -5.179 1.00 1.27 C ATOM 956 C ALA B 6 -5.766 -2.724 -5.807 1.00 1.57 C ATOM 957 O ALA B 6 -5.505 -3.815 -6.312 1.00 1.86 O ATOM 958 CB ALA B 6 -7.577 -1.048 -5.469 1.00 1.16 C ATOM 0 H ALA B 6 -6.291 -2.476 -3.255 1.00 1.15 H new ATOM 0 HA ALA B 6 -7.840 -3.166 -5.630 1.00 1.27 H new ATOM 0 HB1 ALA B 6 -7.560 -0.875 -6.545 1.00 1.16 H new ATOM 0 HB2 ALA B 6 -8.589 -0.896 -5.093 1.00 1.16 H new ATOM 0 HB3 ALA B 6 -6.899 -0.350 -4.978 1.00 1.16 H new ATOM 964 N ARG B 7 -4.895 -1.713 -5.776 1.00 2.16 N ATOM 965 CA ARG B 7 -3.567 -1.826 -6.370 1.00 2.49 C ATOM 966 C ARG B 7 -2.826 -3.064 -5.863 1.00 1.97 C ATOM 967 O ARG B 7 -3.107 -4.174 -6.315 1.00 2.16 O ATOM 968 CB ARG B 7 -2.757 -0.551 -6.118 1.00 3.50 C ATOM 969 CG ARG B 7 -3.369 0.691 -6.746 1.00 4.23 C ATOM 970 CD ARG B 7 -3.501 0.547 -8.254 1.00 5.24 C ATOM 971 NE ARG B 7 -2.202 0.422 -8.909 1.00 5.78 N ATOM 972 CZ ARG B 7 -2.051 0.083 -10.185 1.00 6.67 C ATOM 973 NH1 ARG B 7 -3.116 -0.161 -10.939 1.00 7.13 N ATOM 974 NH2 ARG B 7 -0.838 -0.009 -10.711 1.00 7.29 N ATOM 0 H ARG B 7 -5.088 -0.809 -5.346 1.00 2.16 H new ATOM 0 HA ARG B 7 -3.690 -1.946 -7.446 1.00 2.49 H new ATOM 0 HB2 ARG B 7 -2.663 -0.396 -5.043 1.00 3.50 H new ATOM 0 HB3 ARG B 7 -1.749 -0.687 -6.510 1.00 3.50 H new ATOM 0 HG2 ARG B 7 -4.351 0.874 -6.310 1.00 4.23 H new ATOM 0 HG3 ARG B 7 -2.751 1.559 -6.515 1.00 4.23 H new ATOM 0 HD2 ARG B 7 -4.108 -0.329 -8.482 1.00 5.24 H new ATOM 0 HD3 ARG B 7 -4.027 1.413 -8.656 1.00 5.24 H new ATOM 0 HE ARG B 7 -1.364 0.605 -8.357 1.00 5.78 H new ATOM 0 HH11 ARG B 7 -4.052 -0.088 -10.539 1.00 7.13 H new ATOM 0 HH12 ARG B 7 -2.999 -0.421 -11.918 1.00 7.13 H new ATOM 0 HH21 ARG B 7 -0.017 0.181 -10.136 1.00 7.29 H new ATOM 0 HH22 ARG B 7 -0.725 -0.269 -11.691 1.00 7.29 H new ATOM 988 N ARG B 8 -1.888 -2.895 -4.925 1.00 1.65 N ATOM 989 CA ARG B 8 -1.142 -4.035 -4.415 1.00 1.81 C ATOM 990 C ARG B 8 -0.511 -4.812 -5.570 1.00 2.34 C ATOM 991 O ARG B 8 -0.753 -4.509 -6.738 1.00 3.35 O ATOM 992 CB ARG B 8 -2.068 -4.939 -3.601 1.00 2.17 C ATOM 993 CG ARG B 8 -2.255 -4.476 -2.165 1.00 2.70 C ATOM 994 CD ARG B 8 -3.293 -5.314 -1.436 1.00 3.52 C ATOM 995 NE ARG B 8 -2.908 -6.721 -1.364 1.00 4.36 N ATOM 996 CZ ARG B 8 -3.397 -7.576 -0.472 1.00 5.31 C ATOM 997 NH1 ARG B 8 -4.285 -7.167 0.424 1.00 5.56 N ATOM 998 NH2 ARG B 8 -2.999 -8.841 -0.477 1.00 6.23 N ATOM 0 H ARG B 8 -1.635 -1.996 -4.514 1.00 1.65 H new ATOM 0 HA ARG B 8 -0.343 -3.677 -3.765 1.00 1.81 H new ATOM 0 HB2 ARG B 8 -3.041 -4.984 -4.090 1.00 2.17 H new ATOM 0 HB3 ARG B 8 -1.665 -5.952 -3.599 1.00 2.17 H new ATOM 0 HG2 ARG B 8 -1.303 -4.535 -1.637 1.00 2.70 H new ATOM 0 HG3 ARG B 8 -2.560 -3.430 -2.157 1.00 2.70 H new ATOM 0 HD2 ARG B 8 -3.431 -4.924 -0.428 1.00 3.52 H new ATOM 0 HD3 ARG B 8 -4.253 -5.226 -1.946 1.00 3.52 H new ATOM 0 HE ARG B 8 -2.224 -7.067 -2.037 1.00 4.36 H new ATOM 0 HH11 ARG B 8 -4.594 -6.195 0.429 1.00 5.56 H new ATOM 0 HH12 ARG B 8 -4.659 -7.825 1.108 1.00 5.56 H new ATOM 0 HH21 ARG B 8 -2.317 -9.158 -1.166 1.00 6.23 H new ATOM 0 HH22 ARG B 8 -3.375 -9.497 0.208 1.00 6.23 H new ATOM 1012 N LYS B 9 0.305 -5.806 -5.244 1.00 1.97 N ATOM 1013 CA LYS B 9 0.964 -6.610 -6.268 1.00 2.57 C ATOM 1014 C LYS B 9 1.165 -8.048 -5.789 1.00 1.88 C ATOM 1015 O LYS B 9 0.573 -8.467 -4.795 1.00 1.98 O ATOM 1016 CB LYS B 9 2.312 -5.982 -6.636 1.00 3.57 C ATOM 1017 CG LYS B 9 2.206 -4.536 -7.098 1.00 4.55 C ATOM 1018 CD LYS B 9 1.533 -4.432 -8.458 1.00 5.55 C ATOM 1019 CE LYS B 9 2.382 -5.061 -9.550 1.00 6.48 C ATOM 1020 NZ LYS B 9 1.733 -4.958 -10.887 1.00 7.18 N ATOM 0 H LYS B 9 0.526 -6.075 -4.285 1.00 1.97 H new ATOM 0 HA LYS B 9 0.326 -6.633 -7.151 1.00 2.57 H new ATOM 0 HB2 LYS B 9 2.974 -6.031 -5.771 1.00 3.57 H new ATOM 0 HB3 LYS B 9 2.775 -6.574 -7.426 1.00 3.57 H new ATOM 0 HG2 LYS B 9 1.640 -3.960 -6.366 1.00 4.55 H new ATOM 0 HG3 LYS B 9 3.202 -4.096 -7.149 1.00 4.55 H new ATOM 0 HD2 LYS B 9 0.561 -4.924 -8.423 1.00 5.55 H new ATOM 0 HD3 LYS B 9 1.351 -3.384 -8.696 1.00 5.55 H new ATOM 0 HE2 LYS B 9 3.355 -4.571 -9.580 1.00 6.48 H new ATOM 0 HE3 LYS B 9 2.560 -6.110 -9.313 1.00 6.48 H new ATOM 0 HZ1 LYS B 9 2.344 -5.399 -11.604 1.00 7.18 H new ATOM 0 HZ2 LYS B 9 0.815 -5.447 -10.866 1.00 7.18 H new ATOM 0 HZ3 LYS B 9 1.586 -3.956 -11.125 1.00 7.18 H new ATOM 1034 N ARG B 10 2.004 -8.801 -6.501 1.00 1.72 N ATOM 1035 CA ARG B 10 2.283 -10.189 -6.143 1.00 1.51 C ATOM 1036 C ARG B 10 2.629 -10.324 -4.662 1.00 1.39 C ATOM 1037 O ARG B 10 2.475 -11.397 -4.079 1.00 1.77 O ATOM 1038 CB ARG B 10 3.429 -10.733 -6.995 1.00 1.88 C ATOM 1039 CG ARG B 10 4.657 -9.836 -7.004 1.00 2.02 C ATOM 1040 CD ARG B 10 5.822 -10.493 -7.724 1.00 2.74 C ATOM 1041 NE ARG B 10 6.962 -9.591 -7.857 1.00 2.98 N ATOM 1042 CZ ARG B 10 8.165 -9.979 -8.269 1.00 3.73 C ATOM 1043 NH1 ARG B 10 8.385 -11.251 -8.573 1.00 4.23 N ATOM 1044 NH2 ARG B 10 9.149 -9.097 -8.375 1.00 4.33 N ATOM 0 H ARG B 10 2.501 -8.472 -7.328 1.00 1.72 H new ATOM 0 HA ARG B 10 1.381 -10.770 -6.335 1.00 1.51 H new ATOM 0 HB2 ARG B 10 3.711 -11.718 -6.624 1.00 1.88 H new ATOM 0 HB3 ARG B 10 3.079 -10.866 -8.019 1.00 1.88 H new ATOM 0 HG2 ARG B 10 4.415 -8.891 -7.489 1.00 2.02 H new ATOM 0 HG3 ARG B 10 4.946 -9.603 -5.979 1.00 2.02 H new ATOM 0 HD2 ARG B 10 6.128 -11.386 -7.179 1.00 2.74 H new ATOM 0 HD3 ARG B 10 5.500 -10.818 -8.713 1.00 2.74 H new ATOM 0 HE ARG B 10 6.828 -8.608 -7.621 1.00 2.98 H new ATOM 0 HH11 ARG B 10 7.631 -11.933 -8.491 1.00 4.23 H new ATOM 0 HH12 ARG B 10 9.308 -11.547 -8.889 1.00 4.23 H new ATOM 0 HH21 ARG B 10 8.984 -8.118 -8.140 1.00 4.33 H new ATOM 0 HH22 ARG B 10 10.071 -9.397 -8.691 1.00 4.33 H new ATOM 1058 N LYS B 11 3.099 -9.230 -4.061 1.00 1.29 N ATOM 1059 CA LYS B 11 3.469 -9.212 -2.645 1.00 1.35 C ATOM 1060 C LYS B 11 4.877 -9.768 -2.450 1.00 1.21 C ATOM 1061 O LYS B 11 5.053 -10.944 -2.133 1.00 1.55 O ATOM 1062 CB LYS B 11 2.470 -10.009 -1.793 1.00 1.85 C ATOM 1063 CG LYS B 11 1.011 -9.730 -2.124 1.00 2.93 C ATOM 1064 CD LYS B 11 0.704 -8.242 -2.106 1.00 3.41 C ATOM 1065 CE LYS B 11 0.878 -7.654 -0.716 1.00 4.24 C ATOM 1066 NZ LYS B 11 0.451 -6.229 -0.659 1.00 4.49 N ATOM 0 H LYS B 11 3.233 -8.338 -4.537 1.00 1.29 H new ATOM 0 HA LYS B 11 3.447 -8.174 -2.315 1.00 1.35 H new ATOM 0 HB2 LYS B 11 2.664 -11.073 -1.925 1.00 1.85 H new ATOM 0 HB3 LYS B 11 2.643 -9.781 -0.741 1.00 1.85 H new ATOM 0 HG2 LYS B 11 0.777 -10.138 -3.107 1.00 2.93 H new ATOM 0 HG3 LYS B 11 0.371 -10.242 -1.406 1.00 2.93 H new ATOM 0 HD2 LYS B 11 1.361 -7.725 -2.806 1.00 3.41 H new ATOM 0 HD3 LYS B 11 -0.318 -8.076 -2.447 1.00 3.41 H new ATOM 0 HE2 LYS B 11 0.297 -8.236 -0.000 1.00 4.24 H new ATOM 0 HE3 LYS B 11 1.923 -7.732 -0.417 1.00 4.24 H new ATOM 0 HZ1 LYS B 11 0.755 -5.811 0.244 1.00 4.49 H new ATOM 0 HZ2 LYS B 11 0.884 -5.705 -1.446 1.00 4.49 H new ATOM 0 HZ3 LYS B 11 -0.585 -6.174 -0.735 1.00 4.49 H new ATOM 1080 N ALA B 12 5.876 -8.912 -2.644 1.00 0.95 N ATOM 1081 CA ALA B 12 7.270 -9.312 -2.493 1.00 1.15 C ATOM 1082 C ALA B 12 7.490 -10.062 -1.183 1.00 1.48 C ATOM 1083 O ALA B 12 8.355 -10.933 -1.093 1.00 2.05 O ATOM 1084 CB ALA B 12 8.178 -8.094 -2.559 1.00 1.09 C ATOM 0 H ALA B 12 5.745 -7.935 -2.907 1.00 0.95 H new ATOM 0 HA ALA B 12 7.518 -9.985 -3.314 1.00 1.15 H new ATOM 0 HB1 ALA B 12 9.216 -8.407 -2.445 1.00 1.09 H new ATOM 0 HB2 ALA B 12 8.052 -7.598 -3.522 1.00 1.09 H new ATOM 0 HB3 ALA B 12 7.918 -7.402 -1.758 1.00 1.09 H new ATOM 1090 N ASP B 13 6.701 -9.717 -0.171 1.00 1.42 N ATOM 1091 CA ASP B 13 6.810 -10.358 1.135 1.00 1.79 C ATOM 1092 C ASP B 13 5.600 -11.247 1.403 1.00 1.88 C ATOM 1093 O ASP B 13 4.837 -11.007 2.339 1.00 2.28 O ATOM 1094 CB ASP B 13 6.939 -9.303 2.235 1.00 2.20 C ATOM 1095 CG ASP B 13 7.025 -9.916 3.620 1.00 3.02 C ATOM 1096 OD1 ASP B 13 8.124 -10.370 4.001 1.00 3.80 O ATOM 1097 OD2 ASP B 13 5.992 -9.943 4.321 1.00 3.28 O ATOM 0 H ASP B 13 5.980 -8.998 -0.230 1.00 1.42 H new ATOM 0 HA ASP B 13 7.704 -10.981 1.135 1.00 1.79 H new ATOM 0 HB2 ASP B 13 7.828 -8.699 2.053 1.00 2.20 H new ATOM 0 HB3 ASP B 13 6.082 -8.630 2.191 1.00 2.20 H new ATOM 1102 N SER B 14 5.431 -12.271 0.575 1.00 2.21 N ATOM 1103 CA SER B 14 4.316 -13.198 0.720 1.00 2.81 C ATOM 1104 C SER B 14 4.556 -14.161 1.877 1.00 3.10 C ATOM 1105 O SER B 14 5.141 -15.239 1.637 1.00 3.52 O ATOM 1106 CB SER B 14 4.106 -13.981 -0.577 1.00 3.34 C ATOM 1107 OG SER B 14 3.036 -14.900 -0.453 1.00 3.91 O ATOM 1108 OXT SER B 14 4.160 -13.830 3.015 1.00 3.46 O ATOM 0 H SER B 14 6.054 -12.480 -0.205 1.00 2.21 H new ATOM 0 HA SER B 14 3.419 -12.618 0.935 1.00 2.81 H new ATOM 0 HB2 SER B 14 3.901 -13.289 -1.394 1.00 3.34 H new ATOM 0 HB3 SER B 14 5.020 -14.516 -0.834 1.00 3.34 H new ATOM 0 HG SER B 14 2.923 -15.386 -1.297 1.00 3.91 H new TER 1114 SER B 14