USER MOD reduce.3.24.130724 H: found=0, std=0, add=429, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 429 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 95:sc= -0.347 USER MOD Single : A 3 GLN : amide:sc= -4.44! C(o=-4.4!,f=-2.2!) USER MOD Single : A 7 TYR OH : rot 72:sc= -4.45! USER MOD Single : A 16 LYS NZ :NH3+ -157:sc= -0.13 (180deg=-0.98) USER MOD Single : A 19 LYS NZ :NH3+ 161:sc= -0.107 (180deg=-0.442) USER MOD Single : A 21 LYS NZ :NH3+ 168:sc= -0.0248 (180deg=-0.189) USER MOD Single : A 25 TYR OH : rot 70:sc= -3.91! USER MOD Single : A 30 LYS NZ :NH3+ -165:sc= -0.0463 (180deg=-0.284) USER MOD Single : A 35 CYS SG : rot -155:sc= 1.09 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 HIS : no HD1:sc= -4.69! K(o=-4.7!,f=-1.5) USER MOD Single : A 49 LYS NZ :NH3+ -141:sc= -2.64! (180deg=-5.48!) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -20.144 16.673 1.934 1.00 8.06 N ATOM 2 CA GLY A 1 -20.311 16.094 0.573 1.00 7.57 C ATOM 3 C GLY A 1 -19.301 15.002 0.282 1.00 6.85 C ATOM 4 O GLY A 1 -18.110 15.161 0.552 1.00 7.15 O ATOM 0 H1 GLY A 1 -20.857 17.415 2.086 1.00 8.06 H new ATOM 0 H2 GLY A 1 -20.265 15.925 2.647 1.00 8.06 H new ATOM 0 H3 GLY A 1 -19.193 17.084 2.022 1.00 8.06 H new ATOM 0 HA2 GLY A 1 -21.318 15.689 0.474 1.00 7.57 H new ATOM 0 HA3 GLY A 1 -20.211 16.885 -0.170 1.00 7.57 H new ATOM 10 N SER A 2 -19.775 13.888 -0.269 1.00 6.18 N ATOM 11 CA SER A 2 -18.903 12.766 -0.592 1.00 5.72 C ATOM 12 C SER A 2 -19.682 11.653 -1.284 1.00 4.72 C ATOM 13 O SER A 2 -19.304 11.191 -2.361 1.00 4.80 O ATOM 14 CB SER A 2 -18.251 12.227 0.680 1.00 6.23 C ATOM 15 OG SER A 2 -19.229 11.838 1.626 1.00 6.61 O ATOM 0 H SER A 2 -20.757 13.740 -0.500 1.00 6.18 H new ATOM 0 HA SER A 2 -18.129 13.121 -1.273 1.00 5.72 H new ATOM 0 HB2 SER A 2 -17.618 11.374 0.435 1.00 6.23 H new ATOM 0 HB3 SER A 2 -17.605 12.990 1.113 1.00 6.23 H new ATOM 0 HG SER A 2 -19.410 10.879 1.534 1.00 6.61 H new ATOM 21 N GLN A 3 -20.775 11.231 -0.656 1.00 4.14 N ATOM 22 CA GLN A 3 -21.619 10.177 -1.204 1.00 3.35 C ATOM 23 C GLN A 3 -20.829 8.879 -1.414 1.00 2.59 C ATOM 24 O GLN A 3 -21.264 7.983 -2.135 1.00 2.90 O ATOM 25 CB GLN A 3 -22.259 10.664 -2.516 1.00 3.86 C ATOM 26 CG GLN A 3 -23.027 9.599 -3.290 1.00 4.58 C ATOM 27 CD GLN A 3 -22.230 8.922 -4.405 1.00 5.22 C ATOM 28 OE1 GLN A 3 -22.809 8.237 -5.249 1.00 5.66 O ATOM 29 NE2 GLN A 3 -20.903 9.070 -4.409 1.00 5.68 N ATOM 0 H GLN A 3 -21.097 11.605 0.236 1.00 4.14 H new ATOM 0 HA GLN A 3 -22.410 9.951 -0.489 1.00 3.35 H new ATOM 0 HB2 GLN A 3 -22.937 11.487 -2.289 1.00 3.86 H new ATOM 0 HB3 GLN A 3 -21.475 11.065 -3.159 1.00 3.86 H new ATOM 0 HG2 GLN A 3 -23.368 8.836 -2.591 1.00 4.58 H new ATOM 0 HG3 GLN A 3 -23.917 10.055 -3.723 1.00 4.58 H new ATOM 0 HE21 GLN A 3 -20.452 9.644 -3.697 1.00 5.68 H new ATOM 0 HE22 GLN A 3 -20.341 8.609 -5.124 1.00 5.68 H new ATOM 38 N VAL A 4 -19.677 8.768 -0.761 1.00 1.80 N ATOM 39 CA VAL A 4 -18.856 7.574 -0.873 1.00 1.52 C ATOM 40 C VAL A 4 -18.873 6.805 0.437 1.00 1.35 C ATOM 41 O VAL A 4 -18.866 5.573 0.458 1.00 1.75 O ATOM 42 CB VAL A 4 -17.434 7.957 -1.305 1.00 1.48 C ATOM 43 CG1 VAL A 4 -16.443 6.814 -1.113 1.00 2.08 C ATOM 44 CG2 VAL A 4 -17.481 8.355 -2.764 1.00 1.97 C ATOM 0 H VAL A 4 -19.294 9.490 -0.151 1.00 1.80 H new ATOM 0 HA VAL A 4 -19.264 6.916 -1.640 1.00 1.52 H new ATOM 0 HB VAL A 4 -17.089 8.782 -0.681 1.00 1.48 H new ATOM 0 HG11 VAL A 4 -15.452 7.134 -1.433 1.00 2.08 H new ATOM 0 HG12 VAL A 4 -16.411 6.533 -0.060 1.00 2.08 H new ATOM 0 HG13 VAL A 4 -16.757 5.957 -1.708 1.00 2.08 H new ATOM 0 HG21 VAL A 4 -16.481 8.633 -3.098 1.00 1.97 H new ATOM 0 HG22 VAL A 4 -17.842 7.516 -3.359 1.00 1.97 H new ATOM 0 HG23 VAL A 4 -18.154 9.204 -2.888 1.00 1.97 H new ATOM 54 N PHE A 5 -18.939 7.554 1.520 1.00 1.32 N ATOM 55 CA PHE A 5 -19.014 6.999 2.872 1.00 1.88 C ATOM 56 C PHE A 5 -19.903 5.762 2.937 1.00 1.68 C ATOM 57 O PHE A 5 -19.683 4.890 3.777 1.00 1.78 O ATOM 58 CB PHE A 5 -19.503 8.051 3.855 1.00 2.50 C ATOM 59 CG PHE A 5 -20.816 8.691 3.482 1.00 2.99 C ATOM 60 CD1 PHE A 5 -21.970 7.927 3.398 1.00 3.37 C ATOM 61 CD2 PHE A 5 -20.899 10.051 3.218 1.00 3.34 C ATOM 62 CE1 PHE A 5 -23.179 8.505 3.060 1.00 3.96 C ATOM 63 CE2 PHE A 5 -22.106 10.633 2.879 1.00 4.01 C ATOM 64 CZ PHE A 5 -23.230 9.883 2.780 1.00 4.27 C ATOM 0 H PHE A 5 -18.943 8.574 1.494 1.00 1.32 H new ATOM 0 HA PHE A 5 -18.006 6.692 3.149 1.00 1.88 H new ATOM 0 HB2 PHE A 5 -19.603 7.593 4.839 1.00 2.50 H new ATOM 0 HB3 PHE A 5 -18.745 8.830 3.942 1.00 2.50 H new ATOM 0 HD1 PHE A 5 -21.924 6.867 3.599 1.00 3.37 H new ATOM 0 HD2 PHE A 5 -20.010 10.662 3.278 1.00 3.34 H new ATOM 0 HE1 PHE A 5 -24.076 7.905 3.011 1.00 3.96 H new ATOM 0 HE2 PHE A 5 -22.154 11.695 2.691 1.00 4.01 H new ATOM 0 HZ PHE A 5 -24.163 10.342 2.487 1.00 4.27 H new ATOM 74 N GLU A 6 -20.868 5.642 2.030 1.00 1.60 N ATOM 75 CA GLU A 6 -21.702 4.455 2.004 1.00 1.52 C ATOM 76 C GLU A 6 -20.826 3.239 1.775 1.00 1.24 C ATOM 77 O GLU A 6 -20.871 2.288 2.555 1.00 1.24 O ATOM 78 CB GLU A 6 -22.760 4.569 0.911 1.00 1.66 C ATOM 79 CG GLU A 6 -22.174 4.681 -0.482 1.00 2.10 C ATOM 80 CD GLU A 6 -23.230 4.928 -1.542 1.00 2.44 C ATOM 81 OE1 GLU A 6 -23.932 5.958 -1.452 1.00 2.75 O ATOM 82 OE2 GLU A 6 -23.357 4.091 -2.461 1.00 2.84 O ATOM 0 H GLU A 6 -21.086 6.339 1.318 1.00 1.60 H new ATOM 0 HA GLU A 6 -22.218 4.353 2.959 1.00 1.52 H new ATOM 0 HB2 GLU A 6 -23.412 3.697 0.954 1.00 1.66 H new ATOM 0 HB3 GLU A 6 -23.382 5.442 1.107 1.00 1.66 H new ATOM 0 HG2 GLU A 6 -21.448 5.493 -0.502 1.00 2.10 H new ATOM 0 HG3 GLU A 6 -21.634 3.765 -0.719 1.00 2.10 H new ATOM 89 N TYR A 7 -19.966 3.291 0.763 1.00 1.11 N ATOM 90 CA TYR A 7 -19.040 2.230 0.533 1.00 0.94 C ATOM 91 C TYR A 7 -19.703 0.866 0.593 1.00 0.89 C ATOM 92 O TYR A 7 -20.928 0.744 0.607 1.00 1.24 O ATOM 93 CB TYR A 7 -17.933 2.378 1.576 1.00 1.04 C ATOM 94 CG TYR A 7 -16.742 3.148 1.059 1.00 0.98 C ATOM 95 CD1 TYR A 7 -15.887 2.579 0.142 1.00 0.85 C ATOM 96 CD2 TYR A 7 -16.476 4.439 1.486 1.00 1.26 C ATOM 97 CE1 TYR A 7 -14.798 3.265 -0.347 1.00 1.02 C ATOM 98 CE2 TYR A 7 -15.385 5.136 1.004 1.00 1.37 C ATOM 99 CZ TYR A 7 -14.551 4.541 0.086 1.00 1.27 C ATOM 100 OH TYR A 7 -13.470 5.218 -0.406 1.00 1.49 O ATOM 0 H TYR A 7 -19.905 4.063 0.099 1.00 1.11 H new ATOM 0 HA TYR A 7 -18.628 2.296 -0.474 1.00 0.94 H new ATOM 0 HB2 TYR A 7 -18.333 2.884 2.455 1.00 1.04 H new ATOM 0 HB3 TYR A 7 -17.608 1.388 1.898 1.00 1.04 H new ATOM 0 HD1 TYR A 7 -16.075 1.572 -0.201 1.00 0.85 H new ATOM 0 HD2 TYR A 7 -17.131 4.907 2.206 1.00 1.26 H new ATOM 0 HE1 TYR A 7 -14.142 2.800 -1.068 1.00 1.02 H new ATOM 0 HE2 TYR A 7 -15.188 6.141 1.346 1.00 1.37 H new ATOM 0 HH TYR A 7 -13.640 5.473 -1.337 1.00 1.49 H new ATOM 110 N ALA A 8 -18.853 -0.139 0.596 1.00 0.77 N ATOM 111 CA ALA A 8 -19.246 -1.549 0.618 1.00 0.72 C ATOM 112 C ALA A 8 -19.296 -2.087 -0.799 1.00 0.62 C ATOM 113 O ALA A 8 -20.196 -2.843 -1.166 1.00 0.69 O ATOM 114 CB ALA A 8 -20.581 -1.770 1.327 1.00 0.89 C ATOM 0 H ALA A 8 -17.842 -0.004 0.583 1.00 0.77 H new ATOM 0 HA ALA A 8 -18.495 -2.095 1.189 1.00 0.72 H new ATOM 0 HB1 ALA A 8 -20.827 -2.832 1.316 1.00 0.89 H new ATOM 0 HB2 ALA A 8 -20.507 -1.425 2.358 1.00 0.89 H new ATOM 0 HB3 ALA A 8 -21.363 -1.211 0.813 1.00 0.89 H new ATOM 120 N GLU A 9 -18.304 -1.686 -1.588 1.00 0.57 N ATOM 121 CA GLU A 9 -18.194 -2.109 -2.968 1.00 0.59 C ATOM 122 C GLU A 9 -18.006 -3.615 -3.061 1.00 0.51 C ATOM 123 O GLU A 9 -18.382 -4.238 -4.051 1.00 0.56 O ATOM 124 CB GLU A 9 -17.036 -1.405 -3.683 1.00 0.71 C ATOM 125 CG GLU A 9 -15.951 -0.809 -2.797 1.00 0.64 C ATOM 126 CD GLU A 9 -16.332 0.564 -2.294 1.00 0.75 C ATOM 127 OE1 GLU A 9 -17.401 0.689 -1.662 1.00 1.28 O ATOM 128 OE2 GLU A 9 -15.561 1.516 -2.531 1.00 1.19 O ATOM 0 H GLU A 9 -17.558 -1.060 -1.284 1.00 0.57 H new ATOM 0 HA GLU A 9 -19.126 -1.832 -3.461 1.00 0.59 H new ATOM 0 HB2 GLU A 9 -16.569 -2.120 -4.360 1.00 0.71 H new ATOM 0 HB3 GLU A 9 -17.450 -0.607 -4.299 1.00 0.71 H new ATOM 0 HG2 GLU A 9 -15.770 -1.470 -1.949 1.00 0.64 H new ATOM 0 HG3 GLU A 9 -15.018 -0.746 -3.357 1.00 0.64 H new ATOM 135 N VAL A 10 -17.412 -4.184 -2.020 1.00 0.43 N ATOM 136 CA VAL A 10 -17.157 -5.616 -1.954 1.00 0.42 C ATOM 137 C VAL A 10 -16.502 -6.122 -3.214 1.00 0.46 C ATOM 138 O VAL A 10 -16.899 -7.139 -3.776 1.00 0.53 O ATOM 139 CB VAL A 10 -18.440 -6.383 -1.658 1.00 0.52 C ATOM 140 CG1 VAL A 10 -19.425 -6.330 -2.820 1.00 0.94 C ATOM 141 CG2 VAL A 10 -18.136 -7.820 -1.255 1.00 1.06 C ATOM 0 H VAL A 10 -17.094 -3.667 -1.200 1.00 0.43 H new ATOM 0 HA VAL A 10 -16.461 -5.789 -1.133 1.00 0.42 H new ATOM 0 HB VAL A 10 -18.922 -5.889 -0.814 1.00 0.52 H new ATOM 0 HG11 VAL A 10 -20.323 -6.891 -2.561 1.00 0.94 H new ATOM 0 HG12 VAL A 10 -19.691 -5.293 -3.025 1.00 0.94 H new ATOM 0 HG13 VAL A 10 -18.966 -6.768 -3.706 1.00 0.94 H new ATOM 0 HG21 VAL A 10 -19.069 -8.345 -1.049 1.00 1.06 H new ATOM 0 HG22 VAL A 10 -17.608 -8.322 -2.066 1.00 1.06 H new ATOM 0 HG23 VAL A 10 -17.513 -7.823 -0.361 1.00 1.06 H new ATOM 151 N ASP A 11 -15.470 -5.393 -3.618 1.00 0.45 N ATOM 152 CA ASP A 11 -14.671 -5.719 -4.825 1.00 0.53 C ATOM 153 C ASP A 11 -13.894 -4.510 -5.422 1.00 0.54 C ATOM 154 O ASP A 11 -12.986 -4.716 -6.228 1.00 0.68 O ATOM 155 CB ASP A 11 -15.560 -6.337 -5.925 1.00 0.64 C ATOM 156 CG ASP A 11 -14.852 -6.494 -7.262 1.00 1.20 C ATOM 157 OD1 ASP A 11 -14.550 -5.464 -7.901 1.00 1.94 O ATOM 158 OD2 ASP A 11 -14.596 -7.648 -7.665 1.00 1.69 O ATOM 0 H ASP A 11 -15.151 -4.557 -3.129 1.00 0.45 H new ATOM 0 HA ASP A 11 -13.928 -6.439 -4.483 1.00 0.53 H new ATOM 0 HB2 ASP A 11 -15.910 -7.314 -5.592 1.00 0.64 H new ATOM 0 HB3 ASP A 11 -16.442 -5.712 -6.062 1.00 0.64 H new ATOM 163 N GLU A 12 -14.252 -3.265 -5.076 1.00 0.49 N ATOM 164 CA GLU A 12 -13.567 -2.084 -5.657 1.00 0.54 C ATOM 165 C GLU A 12 -13.035 -1.116 -4.592 1.00 0.50 C ATOM 166 O GLU A 12 -13.503 0.014 -4.503 1.00 0.60 O ATOM 167 CB GLU A 12 -14.551 -1.330 -6.535 1.00 0.64 C ATOM 168 CG GLU A 12 -15.216 -2.195 -7.592 1.00 1.27 C ATOM 169 CD GLU A 12 -16.227 -1.430 -8.423 1.00 1.74 C ATOM 170 OE1 GLU A 12 -15.833 -0.438 -9.072 1.00 2.23 O ATOM 171 OE2 GLU A 12 -17.412 -1.821 -8.425 1.00 2.26 O ATOM 0 H GLU A 12 -14.994 -3.044 -4.412 1.00 0.49 H new ATOM 0 HA GLU A 12 -12.714 -2.455 -6.225 1.00 0.54 H new ATOM 0 HB2 GLU A 12 -15.321 -0.887 -5.904 1.00 0.64 H new ATOM 0 HB3 GLU A 12 -14.030 -0.508 -7.026 1.00 0.64 H new ATOM 0 HG2 GLU A 12 -14.452 -2.611 -8.249 1.00 1.27 H new ATOM 0 HG3 GLU A 12 -15.712 -3.036 -7.108 1.00 1.27 H new ATOM 178 N ILE A 13 -12.061 -1.569 -3.808 1.00 0.42 N ATOM 179 CA ILE A 13 -11.452 -0.792 -2.718 1.00 0.38 C ATOM 180 C ILE A 13 -12.459 0.032 -1.898 1.00 0.39 C ATOM 181 O ILE A 13 -13.215 0.849 -2.411 1.00 0.52 O ATOM 182 CB ILE A 13 -10.297 0.112 -3.205 1.00 0.48 C ATOM 183 CG1 ILE A 13 -10.773 1.177 -4.202 1.00 1.00 C ATOM 184 CG2 ILE A 13 -9.210 -0.734 -3.840 1.00 0.95 C ATOM 185 CD1 ILE A 13 -11.406 2.387 -3.550 1.00 1.56 C ATOM 0 H ILE A 13 -11.661 -2.502 -3.909 1.00 0.42 H new ATOM 0 HA ILE A 13 -11.041 -1.549 -2.050 1.00 0.38 H new ATOM 0 HB ILE A 13 -9.902 0.632 -2.332 1.00 0.48 H new ATOM 0 HG12 ILE A 13 -9.924 1.503 -4.804 1.00 1.00 H new ATOM 0 HG13 ILE A 13 -11.493 0.726 -4.885 1.00 1.00 H new ATOM 0 HG21 ILE A 13 -8.400 -0.089 -4.181 1.00 0.95 H new ATOM 0 HG22 ILE A 13 -8.826 -1.443 -3.107 1.00 0.95 H new ATOM 0 HG23 ILE A 13 -9.622 -1.278 -4.690 1.00 0.95 H new ATOM 0 HD11 ILE A 13 -11.716 3.094 -4.319 1.00 1.56 H new ATOM 0 HD12 ILE A 13 -12.276 2.075 -2.971 1.00 1.56 H new ATOM 0 HD13 ILE A 13 -10.683 2.864 -2.889 1.00 1.56 H new ATOM 197 N VAL A 14 -12.447 -0.193 -0.590 1.00 0.33 N ATOM 198 CA VAL A 14 -13.332 0.507 0.316 1.00 0.37 C ATOM 199 C VAL A 14 -12.540 1.517 1.127 1.00 0.37 C ATOM 200 O VAL A 14 -13.082 2.532 1.566 1.00 0.48 O ATOM 201 CB VAL A 14 -14.109 -0.478 1.256 1.00 0.38 C ATOM 202 CG1 VAL A 14 -13.860 -0.226 2.750 1.00 0.44 C ATOM 203 CG2 VAL A 14 -15.595 -0.398 0.993 1.00 0.51 C ATOM 0 H VAL A 14 -11.826 -0.862 -0.135 1.00 0.33 H new ATOM 0 HA VAL A 14 -14.080 1.031 -0.279 1.00 0.37 H new ATOM 0 HB VAL A 14 -13.726 -1.471 1.022 1.00 0.38 H new ATOM 0 HG11 VAL A 14 -14.429 -0.944 3.340 1.00 0.44 H new ATOM 0 HG12 VAL A 14 -12.798 -0.340 2.966 1.00 0.44 H new ATOM 0 HG13 VAL A 14 -14.176 0.785 3.006 1.00 0.44 H new ATOM 0 HG21 VAL A 14 -16.119 -1.088 1.654 1.00 0.51 H new ATOM 0 HG22 VAL A 14 -15.943 0.618 1.179 1.00 0.51 H new ATOM 0 HG23 VAL A 14 -15.796 -0.666 -0.044 1.00 0.51 H new ATOM 213 N GLU A 15 -11.263 1.223 1.362 1.00 0.28 N ATOM 214 CA GLU A 15 -10.468 2.136 2.172 1.00 0.30 C ATOM 215 C GLU A 15 -9.149 2.523 1.520 1.00 0.31 C ATOM 216 O GLU A 15 -8.983 2.392 0.307 1.00 0.56 O ATOM 217 CB GLU A 15 -10.218 1.541 3.556 1.00 0.33 C ATOM 218 CG GLU A 15 -10.633 2.494 4.664 1.00 0.77 C ATOM 219 CD GLU A 15 -10.347 1.947 6.047 1.00 1.01 C ATOM 220 OE1 GLU A 15 -9.830 0.814 6.143 1.00 1.34 O ATOM 221 OE2 GLU A 15 -10.636 2.655 7.034 1.00 1.44 O ATOM 0 H GLU A 15 -10.775 0.396 1.019 1.00 0.28 H new ATOM 0 HA GLU A 15 -11.051 3.052 2.266 1.00 0.30 H new ATOM 0 HB2 GLU A 15 -10.770 0.606 3.655 1.00 0.33 H new ATOM 0 HB3 GLU A 15 -9.160 1.299 3.662 1.00 0.33 H new ATOM 0 HG2 GLU A 15 -10.109 3.441 4.537 1.00 0.77 H new ATOM 0 HG3 GLU A 15 -11.699 2.705 4.575 1.00 0.77 H new ATOM 228 N LYS A 16 -8.218 3.036 2.331 1.00 0.26 N ATOM 229 CA LYS A 16 -6.931 3.477 1.810 1.00 0.29 C ATOM 230 C LYS A 16 -6.005 4.020 2.902 1.00 0.47 C ATOM 231 O LYS A 16 -6.374 4.041 4.076 1.00 0.82 O ATOM 232 CB LYS A 16 -7.189 4.574 0.789 1.00 0.45 C ATOM 233 CG LYS A 16 -8.191 5.626 1.258 1.00 0.89 C ATOM 234 CD LYS A 16 -7.729 6.341 2.519 1.00 1.44 C ATOM 235 CE LYS A 16 -8.691 7.443 2.916 1.00 2.23 C ATOM 236 NZ LYS A 16 -8.168 8.247 4.054 1.00 3.04 N ATOM 0 H LYS A 16 -8.334 3.153 3.338 1.00 0.26 H new ATOM 0 HA LYS A 16 -6.432 2.616 1.365 1.00 0.29 H new ATOM 0 HB2 LYS A 16 -6.246 5.065 0.550 1.00 0.45 H new ATOM 0 HB3 LYS A 16 -7.555 4.122 -0.133 1.00 0.45 H new ATOM 0 HG2 LYS A 16 -8.345 6.357 0.464 1.00 0.89 H new ATOM 0 HG3 LYS A 16 -9.154 5.150 1.445 1.00 0.89 H new ATOM 0 HD2 LYS A 16 -7.640 5.623 3.334 1.00 1.44 H new ATOM 0 HD3 LYS A 16 -6.737 6.763 2.357 1.00 1.44 H new ATOM 0 HE2 LYS A 16 -8.870 8.095 2.061 1.00 2.23 H new ATOM 0 HE3 LYS A 16 -9.651 7.006 3.190 1.00 2.23 H new ATOM 0 HZ1 LYS A 16 -8.960 8.708 4.546 1.00 3.04 H new ATOM 0 HZ2 LYS A 16 -7.665 7.624 4.717 1.00 3.04 H new ATOM 0 HZ3 LYS A 16 -7.514 8.972 3.695 1.00 3.04 H new ATOM 250 N ARG A 17 -4.809 4.486 2.499 1.00 0.44 N ATOM 251 CA ARG A 17 -3.852 5.065 3.432 1.00 0.63 C ATOM 252 C ARG A 17 -3.279 4.014 4.374 1.00 1.08 C ATOM 253 O ARG A 17 -4.010 3.167 4.897 1.00 1.89 O ATOM 254 CB ARG A 17 -4.491 6.199 4.243 1.00 1.24 C ATOM 255 CG ARG A 17 -4.711 7.483 3.453 1.00 2.28 C ATOM 256 CD ARG A 17 -3.498 8.403 3.512 1.00 3.13 C ATOM 257 NE ARG A 17 -2.392 7.932 2.681 1.00 3.73 N ATOM 258 CZ ARG A 17 -1.190 8.501 2.672 1.00 4.40 C ATOM 259 NH1 ARG A 17 -0.933 9.527 3.471 1.00 4.67 N ATOM 260 NH2 ARG A 17 -0.242 8.042 1.864 1.00 5.19 N ATOM 0 H ARG A 17 -4.491 4.468 1.530 1.00 0.44 H new ATOM 0 HA ARG A 17 -3.034 5.473 2.838 1.00 0.63 H new ATOM 0 HB2 ARG A 17 -5.450 5.857 4.633 1.00 1.24 H new ATOM 0 HB3 ARG A 17 -3.857 6.418 5.102 1.00 1.24 H new ATOM 0 HG2 ARG A 17 -4.929 7.237 2.414 1.00 2.28 H new ATOM 0 HG3 ARG A 17 -5.583 8.006 3.846 1.00 2.28 H new ATOM 0 HD2 ARG A 17 -3.789 9.403 3.190 1.00 3.13 H new ATOM 0 HD3 ARG A 17 -3.161 8.487 4.545 1.00 3.13 H new ATOM 0 HE ARG A 17 -2.550 7.125 2.077 1.00 3.73 H new ATOM 0 HH11 ARG A 17 -1.658 9.882 4.095 1.00 4.67 H new ATOM 0 HH12 ARG A 17 -0.010 9.962 3.462 1.00 4.67 H new ATOM 0 HH21 ARG A 17 -0.435 7.252 1.249 1.00 5.19 H new ATOM 0 HH22 ARG A 17 0.679 8.480 1.858 1.00 5.19 H new ATOM 274 N GLY A 18 -1.966 4.075 4.591 1.00 1.31 N ATOM 275 CA GLY A 18 -1.327 3.122 5.475 1.00 2.00 C ATOM 276 C GLY A 18 -0.031 3.614 6.090 1.00 2.22 C ATOM 277 O GLY A 18 0.152 4.814 6.337 1.00 2.45 O ATOM 0 H GLY A 18 -1.340 4.763 4.172 1.00 1.31 H new ATOM 0 HA2 GLY A 18 -2.021 2.865 6.275 1.00 2.00 H new ATOM 0 HA3 GLY A 18 -1.127 2.206 4.919 1.00 2.00 H new ATOM 281 N LYS A 19 0.858 2.662 6.349 1.00 2.48 N ATOM 282 CA LYS A 19 2.153 2.938 6.965 1.00 2.97 C ATOM 283 C LYS A 19 2.848 4.109 6.295 1.00 2.66 C ATOM 284 O LYS A 19 2.635 4.371 5.112 1.00 2.54 O ATOM 285 CB LYS A 19 3.061 1.705 6.894 1.00 3.46 C ATOM 286 CG LYS A 19 2.425 0.430 7.432 1.00 4.17 C ATOM 287 CD LYS A 19 2.021 0.582 8.888 1.00 4.98 C ATOM 288 CE LYS A 19 1.467 -0.718 9.447 1.00 5.96 C ATOM 289 NZ LYS A 19 2.454 -1.829 9.345 1.00 6.54 N ATOM 0 H LYS A 19 0.702 1.676 6.138 1.00 2.48 H new ATOM 0 HA LYS A 19 1.965 3.192 8.008 1.00 2.97 H new ATOM 0 HB2 LYS A 19 3.353 1.542 5.857 1.00 3.46 H new ATOM 0 HB3 LYS A 19 3.974 1.907 7.455 1.00 3.46 H new ATOM 0 HG2 LYS A 19 1.549 0.179 6.834 1.00 4.17 H new ATOM 0 HG3 LYS A 19 3.127 -0.398 7.332 1.00 4.17 H new ATOM 0 HD2 LYS A 19 2.884 0.895 9.476 1.00 4.98 H new ATOM 0 HD3 LYS A 19 1.271 1.368 8.979 1.00 4.98 H new ATOM 0 HE2 LYS A 19 1.187 -0.575 10.491 1.00 5.96 H new ATOM 0 HE3 LYS A 19 0.559 -0.988 8.908 1.00 5.96 H new ATOM 0 HZ1 LYS A 19 2.189 -2.590 10.002 1.00 6.54 H new ATOM 0 HZ2 LYS A 19 2.462 -2.198 8.373 1.00 6.54 H new ATOM 0 HZ3 LYS A 19 3.401 -1.475 9.589 1.00 6.54 H new ATOM 303 N GLY A 20 3.690 4.807 7.050 1.00 2.95 N ATOM 304 CA GLY A 20 4.410 5.938 6.494 1.00 3.08 C ATOM 305 C GLY A 20 5.055 5.597 5.163 1.00 2.93 C ATOM 306 O GLY A 20 5.214 6.459 4.299 1.00 3.38 O ATOM 0 H GLY A 20 3.886 4.611 8.032 1.00 2.95 H new ATOM 0 HA2 GLY A 20 3.725 6.775 6.362 1.00 3.08 H new ATOM 0 HA3 GLY A 20 5.177 6.262 7.197 1.00 3.08 H new ATOM 310 N LYS A 21 5.420 4.326 5.001 1.00 2.71 N ATOM 311 CA LYS A 21 6.043 3.856 3.771 1.00 2.99 C ATOM 312 C LYS A 21 5.320 2.626 3.227 1.00 2.67 C ATOM 313 O LYS A 21 5.953 1.644 2.844 1.00 3.19 O ATOM 314 CB LYS A 21 7.520 3.527 4.006 1.00 3.64 C ATOM 315 CG LYS A 21 8.355 4.725 4.429 1.00 4.42 C ATOM 316 CD LYS A 21 9.816 4.342 4.613 1.00 5.23 C ATOM 317 CE LYS A 21 10.664 5.540 5.005 1.00 5.87 C ATOM 318 NZ LYS A 21 10.232 6.123 6.306 1.00 6.40 N ATOM 0 H LYS A 21 5.293 3.604 5.710 1.00 2.71 H new ATOM 0 HA LYS A 21 5.970 4.657 3.035 1.00 2.99 H new ATOM 0 HB2 LYS A 21 7.593 2.756 4.773 1.00 3.64 H new ATOM 0 HB3 LYS A 21 7.939 3.108 3.091 1.00 3.64 H new ATOM 0 HG2 LYS A 21 8.274 5.511 3.678 1.00 4.42 H new ATOM 0 HG3 LYS A 21 7.964 5.133 5.361 1.00 4.42 H new ATOM 0 HD2 LYS A 21 9.897 3.572 5.380 1.00 5.23 H new ATOM 0 HD3 LYS A 21 10.199 3.912 3.688 1.00 5.23 H new ATOM 0 HE2 LYS A 21 11.710 5.239 5.071 1.00 5.87 H new ATOM 0 HE3 LYS A 21 10.600 6.301 4.227 1.00 5.87 H new ATOM 0 HZ1 LYS A 21 10.949 6.800 6.638 1.00 6.40 H new ATOM 0 HZ2 LYS A 21 9.324 6.614 6.182 1.00 6.40 H new ATOM 0 HZ3 LYS A 21 10.122 5.363 7.007 1.00 6.40 H new ATOM 332 N ASP A 22 3.991 2.694 3.181 1.00 2.05 N ATOM 333 CA ASP A 22 3.190 1.593 2.669 1.00 1.82 C ATOM 334 C ASP A 22 1.711 1.957 2.665 1.00 1.49 C ATOM 335 O ASP A 22 1.061 2.028 3.708 1.00 1.91 O ATOM 336 CB ASP A 22 3.416 0.317 3.485 1.00 2.35 C ATOM 337 CG ASP A 22 2.892 -0.917 2.780 1.00 2.77 C ATOM 338 OD1 ASP A 22 2.397 -0.786 1.640 1.00 3.28 O ATOM 339 OD2 ASP A 22 2.978 -2.018 3.364 1.00 3.13 O ATOM 0 H ASP A 22 3.450 3.501 3.493 1.00 2.05 H new ATOM 0 HA ASP A 22 3.507 1.404 1.643 1.00 1.82 H new ATOM 0 HB2 ASP A 22 4.482 0.197 3.679 1.00 2.35 H new ATOM 0 HB3 ASP A 22 2.925 0.416 4.453 1.00 2.35 H new ATOM 344 N VAL A 23 1.202 2.176 1.467 1.00 0.98 N ATOM 345 CA VAL A 23 -0.195 2.529 1.243 1.00 0.77 C ATOM 346 C VAL A 23 -0.871 1.441 0.445 1.00 0.57 C ATOM 347 O VAL A 23 -0.253 0.823 -0.423 1.00 0.70 O ATOM 348 CB VAL A 23 -0.327 3.808 0.419 1.00 0.90 C ATOM 349 CG1 VAL A 23 -1.714 4.402 0.592 1.00 1.50 C ATOM 350 CG2 VAL A 23 0.751 4.824 0.773 1.00 1.54 C ATOM 0 H VAL A 23 1.750 2.114 0.609 1.00 0.98 H new ATOM 0 HA VAL A 23 -0.650 2.664 2.224 1.00 0.77 H new ATOM 0 HB VAL A 23 -0.186 3.547 -0.630 1.00 0.90 H new ATOM 0 HG11 VAL A 23 -1.796 5.313 -0.000 1.00 1.50 H new ATOM 0 HG12 VAL A 23 -2.462 3.683 0.257 1.00 1.50 H new ATOM 0 HG13 VAL A 23 -1.881 4.636 1.643 1.00 1.50 H new ATOM 0 HG21 VAL A 23 0.621 5.719 0.165 1.00 1.54 H new ATOM 0 HG22 VAL A 23 0.670 5.087 1.828 1.00 1.54 H new ATOM 0 HG23 VAL A 23 1.734 4.394 0.581 1.00 1.54 H new ATOM 360 N GLU A 24 -2.135 1.221 0.710 1.00 0.53 N ATOM 361 CA GLU A 24 -2.876 0.229 -0.013 1.00 0.45 C ATOM 362 C GLU A 24 -4.356 0.541 -0.068 1.00 0.44 C ATOM 363 O GLU A 24 -4.921 1.223 0.785 1.00 0.47 O ATOM 364 CB GLU A 24 -2.633 -1.167 0.535 1.00 0.66 C ATOM 365 CG GLU A 24 -2.299 -1.203 2.013 1.00 1.82 C ATOM 366 CD GLU A 24 -0.849 -0.865 2.308 1.00 2.49 C ATOM 367 OE1 GLU A 24 -0.029 -0.888 1.367 1.00 2.95 O ATOM 368 OE2 GLU A 24 -0.528 -0.609 3.488 1.00 3.03 O ATOM 0 H GLU A 24 -2.669 1.718 1.423 1.00 0.53 H new ATOM 0 HA GLU A 24 -2.504 0.255 -1.037 1.00 0.45 H new ATOM 0 HB2 GLU A 24 -3.521 -1.774 0.359 1.00 0.66 H new ATOM 0 HB3 GLU A 24 -1.817 -1.627 -0.022 1.00 0.66 H new ATOM 0 HG2 GLU A 24 -2.944 -0.501 2.542 1.00 1.82 H new ATOM 0 HG3 GLU A 24 -2.521 -2.196 2.405 1.00 1.82 H new ATOM 375 N TYR A 25 -4.944 0.033 -1.139 1.00 0.44 N ATOM 376 CA TYR A 25 -6.342 0.226 -1.426 1.00 0.46 C ATOM 377 C TYR A 25 -7.010 -1.083 -1.711 1.00 0.50 C ATOM 378 O TYR A 25 -6.950 -1.617 -2.818 1.00 0.76 O ATOM 379 CB TYR A 25 -6.466 1.191 -2.596 1.00 0.46 C ATOM 380 CG TYR A 25 -5.615 2.392 -2.336 1.00 0.41 C ATOM 381 CD1 TYR A 25 -4.240 2.305 -2.413 1.00 0.42 C ATOM 382 CD2 TYR A 25 -6.174 3.571 -1.929 1.00 0.48 C ATOM 383 CE1 TYR A 25 -3.445 3.369 -2.090 1.00 0.46 C ATOM 384 CE2 TYR A 25 -5.386 4.649 -1.612 1.00 0.56 C ATOM 385 CZ TYR A 25 -4.019 4.548 -1.687 1.00 0.49 C ATOM 386 OH TYR A 25 -3.229 5.627 -1.361 1.00 0.67 O ATOM 0 H TYR A 25 -4.453 -0.529 -1.835 1.00 0.44 H new ATOM 0 HA TYR A 25 -6.847 0.653 -0.559 1.00 0.46 H new ATOM 0 HB2 TYR A 25 -6.155 0.703 -3.520 1.00 0.46 H new ATOM 0 HB3 TYR A 25 -7.506 1.489 -2.728 1.00 0.46 H new ATOM 0 HD1 TYR A 25 -3.784 1.380 -2.734 1.00 0.42 H new ATOM 0 HD2 TYR A 25 -7.248 3.655 -1.856 1.00 0.48 H new ATOM 0 HE1 TYR A 25 -2.370 3.282 -2.152 1.00 0.46 H new ATOM 0 HE2 TYR A 25 -5.842 5.578 -1.303 1.00 0.56 H new ATOM 0 HH TYR A 25 -2.809 5.982 -2.172 1.00 0.67 H new ATOM 396 N LEU A 26 -7.640 -1.590 -0.672 1.00 0.29 N ATOM 397 CA LEU A 26 -8.339 -2.841 -0.731 1.00 0.30 C ATOM 398 C LEU A 26 -8.917 -3.194 0.620 1.00 0.25 C ATOM 399 O LEU A 26 -8.296 -3.866 1.437 1.00 0.35 O ATOM 400 CB LEU A 26 -7.454 -3.922 -1.331 1.00 0.43 C ATOM 401 CG LEU A 26 -5.996 -3.939 -0.903 1.00 0.86 C ATOM 402 CD1 LEU A 26 -5.565 -5.366 -0.639 1.00 1.45 C ATOM 403 CD2 LEU A 26 -5.112 -3.334 -1.976 1.00 1.65 C ATOM 0 H LEU A 26 -7.677 -1.136 0.241 1.00 0.29 H new ATOM 0 HA LEU A 26 -9.193 -2.751 -1.403 1.00 0.30 H new ATOM 0 HB2 LEU A 26 -7.890 -4.891 -1.086 1.00 0.43 H new ATOM 0 HB3 LEU A 26 -7.487 -3.823 -2.416 1.00 0.43 H new ATOM 0 HG LEU A 26 -5.894 -3.345 0.006 1.00 0.86 H new ATOM 0 HD11 LEU A 26 -4.519 -5.379 -0.332 1.00 1.45 H new ATOM 0 HD12 LEU A 26 -6.181 -5.792 0.153 1.00 1.45 H new ATOM 0 HD13 LEU A 26 -5.684 -5.956 -1.548 1.00 1.45 H new ATOM 0 HD21 LEU A 26 -4.073 -3.357 -1.647 1.00 1.65 H new ATOM 0 HD22 LEU A 26 -5.214 -3.907 -2.897 1.00 1.65 H new ATOM 0 HD23 LEU A 26 -5.413 -2.302 -2.156 1.00 1.65 H new ATOM 415 N VAL A 27 -10.130 -2.687 0.852 1.00 0.22 N ATOM 416 CA VAL A 27 -10.808 -2.894 2.113 1.00 0.23 C ATOM 417 C VAL A 27 -12.322 -3.117 1.937 1.00 0.22 C ATOM 418 O VAL A 27 -13.116 -2.719 2.777 1.00 0.33 O ATOM 419 CB VAL A 27 -10.586 -1.682 3.019 1.00 0.30 C ATOM 420 CG1 VAL A 27 -11.240 -1.873 4.380 1.00 0.39 C ATOM 421 CG2 VAL A 27 -9.108 -1.416 3.176 1.00 0.41 C ATOM 0 H VAL A 27 -10.655 -2.131 0.177 1.00 0.22 H new ATOM 0 HA VAL A 27 -10.388 -3.794 2.561 1.00 0.23 H new ATOM 0 HB VAL A 27 -11.056 -0.819 2.547 1.00 0.30 H new ATOM 0 HG11 VAL A 27 -11.061 -0.992 4.996 1.00 0.39 H new ATOM 0 HG12 VAL A 27 -12.313 -2.014 4.251 1.00 0.39 H new ATOM 0 HG13 VAL A 27 -10.815 -2.750 4.868 1.00 0.39 H new ATOM 0 HG21 VAL A 27 -8.961 -0.551 3.823 1.00 0.41 H new ATOM 0 HG22 VAL A 27 -8.627 -2.287 3.620 1.00 0.41 H new ATOM 0 HG23 VAL A 27 -8.668 -1.217 2.199 1.00 0.41 H new ATOM 431 N ARG A 28 -12.725 -3.703 0.820 1.00 0.17 N ATOM 432 CA ARG A 28 -14.154 -3.882 0.527 1.00 0.23 C ATOM 433 C ARG A 28 -14.617 -5.311 0.271 1.00 0.29 C ATOM 434 O ARG A 28 -15.657 -5.745 0.767 1.00 0.51 O ATOM 435 CB ARG A 28 -14.505 -3.068 -0.721 1.00 0.30 C ATOM 436 CG ARG A 28 -13.338 -2.731 -1.654 1.00 0.32 C ATOM 437 CD ARG A 28 -12.848 -3.919 -2.465 1.00 0.44 C ATOM 438 NE ARG A 28 -11.531 -4.404 -2.057 1.00 0.66 N ATOM 439 CZ ARG A 28 -10.929 -5.452 -2.611 1.00 0.88 C ATOM 440 NH1 ARG A 28 -11.421 -6.011 -3.703 1.00 0.60 N ATOM 441 NH2 ARG A 28 -9.836 -5.944 -2.066 1.00 1.56 N ATOM 0 H ARG A 28 -12.096 -4.063 0.102 1.00 0.17 H new ATOM 0 HA ARG A 28 -14.662 -3.553 1.434 1.00 0.23 H new ATOM 0 HB2 ARG A 28 -15.253 -3.619 -1.291 1.00 0.30 H new ATOM 0 HB3 ARG A 28 -14.971 -2.135 -0.403 1.00 0.30 H new ATOM 0 HG2 ARG A 28 -13.645 -1.938 -2.336 1.00 0.32 H new ATOM 0 HG3 ARG A 28 -12.511 -2.340 -1.062 1.00 0.32 H new ATOM 0 HD2 ARG A 28 -13.569 -4.732 -2.375 1.00 0.44 H new ATOM 0 HD3 ARG A 28 -12.813 -3.639 -3.518 1.00 0.44 H new ATOM 0 HE ARG A 28 -11.047 -3.911 -1.306 1.00 0.66 H new ATOM 0 HH11 ARG A 28 -12.270 -5.639 -4.128 1.00 0.60 H new ATOM 0 HH12 ARG A 28 -10.952 -6.815 -4.120 1.00 0.60 H new ATOM 0 HH21 ARG A 28 -9.453 -5.521 -1.221 1.00 1.56 H new ATOM 0 HH22 ARG A 28 -9.372 -6.748 -2.489 1.00 1.56 H new ATOM 455 N TRP A 29 -13.845 -6.003 -0.539 1.00 0.30 N ATOM 456 CA TRP A 29 -14.142 -7.349 -0.957 1.00 0.36 C ATOM 457 C TRP A 29 -14.630 -8.278 0.158 1.00 0.37 C ATOM 458 O TRP A 29 -15.821 -8.565 0.275 1.00 0.52 O ATOM 459 CB TRP A 29 -12.945 -7.956 -1.738 1.00 0.44 C ATOM 460 CG TRP A 29 -11.555 -7.930 -1.099 1.00 0.43 C ATOM 461 CD1 TRP A 29 -10.472 -8.630 -1.560 1.00 0.58 C ATOM 462 CD2 TRP A 29 -11.069 -7.206 0.066 1.00 0.37 C ATOM 463 NE1 TRP A 29 -9.374 -8.394 -0.768 1.00 0.60 N ATOM 464 CE2 TRP A 29 -9.708 -7.531 0.216 1.00 0.45 C ATOM 465 CE3 TRP A 29 -11.630 -6.328 0.999 1.00 0.42 C ATOM 466 CZ2 TRP A 29 -8.917 -7.015 1.230 1.00 0.45 C ATOM 467 CZ3 TRP A 29 -10.854 -5.828 2.001 1.00 0.47 C ATOM 468 CH2 TRP A 29 -9.507 -6.163 2.114 1.00 0.44 C ATOM 0 H TRP A 29 -12.978 -5.636 -0.931 1.00 0.30 H new ATOM 0 HA TRP A 29 -14.998 -7.267 -1.627 1.00 0.36 H new ATOM 0 HB2 TRP A 29 -13.188 -8.996 -1.957 1.00 0.44 H new ATOM 0 HB3 TRP A 29 -12.878 -7.437 -2.694 1.00 0.44 H new ATOM 0 HD1 TRP A 29 -10.480 -9.277 -2.425 1.00 0.58 H new ATOM 0 HE1 TRP A 29 -8.451 -8.806 -0.902 1.00 0.60 H new ATOM 0 HE3 TRP A 29 -12.671 -6.048 0.926 1.00 0.42 H new ATOM 0 HZ2 TRP A 29 -7.873 -7.278 1.316 1.00 0.45 H new ATOM 0 HZ3 TRP A 29 -11.293 -5.157 2.724 1.00 0.47 H new ATOM 0 HH2 TRP A 29 -8.920 -5.740 2.916 1.00 0.44 H new ATOM 479 N LYS A 30 -13.695 -8.762 0.930 1.00 0.35 N ATOM 480 CA LYS A 30 -13.961 -9.693 2.017 1.00 0.43 C ATOM 481 C LYS A 30 -14.258 -8.951 3.306 1.00 0.45 C ATOM 482 O LYS A 30 -15.231 -9.249 3.999 1.00 0.84 O ATOM 483 CB LYS A 30 -12.763 -10.623 2.216 1.00 0.52 C ATOM 484 CG LYS A 30 -12.925 -11.594 3.375 1.00 1.24 C ATOM 485 CD LYS A 30 -14.050 -12.585 3.126 1.00 1.88 C ATOM 486 CE LYS A 30 -14.164 -13.591 4.260 1.00 2.53 C ATOM 487 NZ LYS A 30 -12.933 -14.419 4.394 1.00 3.39 N ATOM 0 H LYS A 30 -12.709 -8.523 0.828 1.00 0.35 H new ATOM 0 HA LYS A 30 -14.837 -10.285 1.752 1.00 0.43 H new ATOM 0 HB2 LYS A 30 -12.599 -11.190 1.300 1.00 0.52 H new ATOM 0 HB3 LYS A 30 -11.870 -10.020 2.382 1.00 0.52 H new ATOM 0 HG2 LYS A 30 -11.991 -12.135 3.530 1.00 1.24 H new ATOM 0 HG3 LYS A 30 -13.126 -11.038 4.290 1.00 1.24 H new ATOM 0 HD2 LYS A 30 -14.992 -12.048 3.018 1.00 1.88 H new ATOM 0 HD3 LYS A 30 -13.873 -13.111 2.188 1.00 1.88 H new ATOM 0 HE2 LYS A 30 -14.350 -13.064 5.196 1.00 2.53 H new ATOM 0 HE3 LYS A 30 -15.021 -14.241 4.084 1.00 2.53 H new ATOM 0 HZ1 LYS A 30 -13.134 -15.246 4.991 1.00 3.39 H new ATOM 0 HZ2 LYS A 30 -12.625 -14.738 3.453 1.00 3.39 H new ATOM 0 HZ3 LYS A 30 -12.179 -13.852 4.831 1.00 3.39 H new ATOM 501 N ASP A 31 -13.385 -7.991 3.612 1.00 0.56 N ATOM 502 CA ASP A 31 -13.474 -7.164 4.815 1.00 0.58 C ATOM 503 C ASP A 31 -14.887 -7.057 5.392 1.00 0.89 C ATOM 504 O ASP A 31 -15.879 -6.976 4.667 1.00 1.45 O ATOM 505 CB ASP A 31 -12.924 -5.770 4.499 1.00 0.73 C ATOM 506 CG ASP A 31 -13.193 -4.746 5.597 1.00 1.49 C ATOM 507 OD1 ASP A 31 -14.380 -4.504 5.906 1.00 2.01 O ATOM 508 OD2 ASP A 31 -12.226 -4.182 6.136 1.00 2.14 O ATOM 0 H ASP A 31 -12.585 -7.763 3.022 1.00 0.56 H new ATOM 0 HA ASP A 31 -12.879 -7.654 5.585 1.00 0.58 H new ATOM 0 HB2 ASP A 31 -11.849 -5.841 4.335 1.00 0.73 H new ATOM 0 HB3 ASP A 31 -13.366 -5.416 3.567 1.00 0.73 H new ATOM 513 N GLY A 32 -14.934 -7.036 6.717 1.00 1.01 N ATOM 514 CA GLY A 32 -16.175 -6.913 7.447 1.00 1.34 C ATOM 515 C GLY A 32 -15.898 -6.489 8.871 1.00 1.55 C ATOM 516 O GLY A 32 -16.412 -5.471 9.340 1.00 1.78 O ATOM 0 H GLY A 32 -14.108 -7.104 7.311 1.00 1.01 H new ATOM 0 HA2 GLY A 32 -16.821 -6.182 6.961 1.00 1.34 H new ATOM 0 HA3 GLY A 32 -16.707 -7.864 7.439 1.00 1.34 H new ATOM 520 N GLY A 33 -15.061 -7.266 9.548 1.00 1.72 N ATOM 521 CA GLY A 33 -14.696 -6.955 10.914 1.00 2.06 C ATOM 522 C GLY A 33 -13.435 -6.107 10.997 1.00 1.90 C ATOM 523 O GLY A 33 -13.364 -5.162 11.785 1.00 2.08 O ATOM 0 H GLY A 33 -14.628 -8.109 9.172 1.00 1.72 H new ATOM 0 HA2 GLY A 33 -15.519 -6.427 11.396 1.00 2.06 H new ATOM 0 HA3 GLY A 33 -14.545 -7.882 11.467 1.00 2.06 H new ATOM 527 N ASP A 34 -12.440 -6.453 10.180 1.00 1.71 N ATOM 528 CA ASP A 34 -11.164 -5.736 10.152 1.00 1.59 C ATOM 529 C ASP A 34 -10.800 -5.387 8.709 1.00 1.24 C ATOM 530 O ASP A 34 -11.468 -5.830 7.774 1.00 1.42 O ATOM 531 CB ASP A 34 -10.057 -6.608 10.755 1.00 1.74 C ATOM 532 CG ASP A 34 -8.837 -5.806 11.167 1.00 2.18 C ATOM 533 OD1 ASP A 34 -8.918 -4.562 11.177 1.00 2.53 O ATOM 534 OD2 ASP A 34 -7.804 -6.428 11.503 1.00 2.74 O ATOM 0 H ASP A 34 -12.494 -7.232 9.524 1.00 1.71 H new ATOM 0 HA ASP A 34 -11.262 -4.822 10.737 1.00 1.59 H new ATOM 0 HB2 ASP A 34 -10.449 -7.136 11.624 1.00 1.74 H new ATOM 0 HB3 ASP A 34 -9.761 -7.365 10.029 1.00 1.74 H new ATOM 539 N CYS A 35 -9.735 -4.608 8.525 1.00 1.02 N ATOM 540 CA CYS A 35 -9.289 -4.232 7.183 1.00 0.90 C ATOM 541 C CYS A 35 -8.290 -5.254 6.658 1.00 0.76 C ATOM 542 O CYS A 35 -7.519 -5.828 7.431 1.00 0.96 O ATOM 543 CB CYS A 35 -8.679 -2.833 7.191 1.00 1.24 C ATOM 544 SG CYS A 35 -9.817 -1.542 7.754 1.00 1.85 S ATOM 0 H CYS A 35 -9.168 -4.227 9.282 1.00 1.02 H new ATOM 0 HA CYS A 35 -10.153 -4.219 6.519 1.00 0.90 H new ATOM 0 HB2 CYS A 35 -7.799 -2.834 7.834 1.00 1.24 H new ATOM 0 HB3 CYS A 35 -8.338 -2.590 6.185 1.00 1.24 H new ATOM 0 HG CYS A 35 -9.460 -0.398 7.249 1.00 1.85 H new ATOM 550 N GLU A 36 -8.307 -5.505 5.350 1.00 0.54 N ATOM 551 CA GLU A 36 -7.397 -6.492 4.782 1.00 0.50 C ATOM 552 C GLU A 36 -6.643 -5.970 3.575 1.00 0.41 C ATOM 553 O GLU A 36 -6.355 -6.742 2.664 1.00 0.54 O ATOM 554 CB GLU A 36 -8.139 -7.775 4.371 1.00 0.53 C ATOM 555 CG GLU A 36 -9.595 -7.851 4.814 1.00 0.65 C ATOM 556 CD GLU A 36 -10.067 -9.276 5.027 1.00 1.34 C ATOM 557 OE1 GLU A 36 -9.452 -9.988 5.847 1.00 2.09 O ATOM 558 OE2 GLU A 36 -11.059 -9.676 4.381 1.00 1.76 O ATOM 0 H GLU A 36 -8.926 -5.050 4.679 1.00 0.54 H new ATOM 0 HA GLU A 36 -6.681 -6.712 5.574 1.00 0.50 H new ATOM 0 HB2 GLU A 36 -8.101 -7.866 3.285 1.00 0.53 H new ATOM 0 HB3 GLU A 36 -7.605 -8.632 4.782 1.00 0.53 H new ATOM 0 HG2 GLU A 36 -9.719 -7.289 5.740 1.00 0.65 H new ATOM 0 HG3 GLU A 36 -10.224 -7.372 4.064 1.00 0.65 H new ATOM 565 N TRP A 37 -6.283 -4.690 3.554 1.00 0.43 N ATOM 566 CA TRP A 37 -5.522 -4.168 2.419 1.00 0.45 C ATOM 567 C TRP A 37 -4.324 -5.104 2.135 1.00 0.52 C ATOM 568 O TRP A 37 -4.098 -6.078 2.854 1.00 0.93 O ATOM 569 CB TRP A 37 -4.864 -2.834 2.725 1.00 0.82 C ATOM 570 CG TRP A 37 -5.693 -1.666 3.074 1.00 0.51 C ATOM 571 CD1 TRP A 37 -6.098 -0.753 2.199 1.00 0.78 C ATOM 572 CD2 TRP A 37 -6.087 -1.204 4.372 1.00 0.85 C ATOM 573 NE1 TRP A 37 -6.777 0.256 2.832 1.00 1.38 N ATOM 574 CE2 TRP A 37 -6.787 -0.006 4.180 1.00 1.36 C ATOM 575 CE3 TRP A 37 -5.946 -1.695 5.668 1.00 1.05 C ATOM 576 CZ2 TRP A 37 -7.330 0.713 5.235 1.00 1.88 C ATOM 577 CZ3 TRP A 37 -6.486 -0.980 6.718 1.00 1.44 C ATOM 578 CH2 TRP A 37 -7.174 0.213 6.496 1.00 1.83 C ATOM 0 H TRP A 37 -6.497 -4.011 4.285 1.00 0.43 H new ATOM 0 HA TRP A 37 -6.233 -4.081 1.598 1.00 0.45 H new ATOM 0 HB2 TRP A 37 -4.170 -2.997 3.549 1.00 0.82 H new ATOM 0 HB3 TRP A 37 -4.267 -2.560 1.855 1.00 0.82 H new ATOM 0 HD1 TRP A 37 -5.917 -0.799 1.135 1.00 0.78 H new ATOM 0 HE1 TRP A 37 -7.203 1.064 2.378 1.00 1.38 H new ATOM 0 HE3 TRP A 37 -5.422 -2.622 5.849 1.00 1.05 H new ATOM 0 HZ2 TRP A 37 -7.859 1.639 5.064 1.00 1.88 H new ATOM 0 HZ3 TRP A 37 -6.374 -1.350 7.727 1.00 1.44 H new ATOM 0 HH2 TRP A 37 -7.590 0.750 7.335 1.00 1.83 H new ATOM 589 N VAL A 38 -3.509 -4.762 1.142 1.00 0.44 N ATOM 590 CA VAL A 38 -2.312 -5.546 0.854 1.00 0.55 C ATOM 591 C VAL A 38 -1.212 -4.675 0.244 1.00 0.56 C ATOM 592 O VAL A 38 -0.062 -4.699 0.680 1.00 1.64 O ATOM 593 CB VAL A 38 -2.576 -6.743 -0.088 1.00 0.99 C ATOM 594 CG1 VAL A 38 -1.296 -7.534 -0.299 1.00 1.83 C ATOM 595 CG2 VAL A 38 -3.667 -7.646 0.468 1.00 1.37 C ATOM 0 H VAL A 38 -3.652 -3.958 0.530 1.00 0.44 H new ATOM 0 HA VAL A 38 -1.989 -5.941 1.817 1.00 0.55 H new ATOM 0 HB VAL A 38 -2.916 -6.353 -1.047 1.00 0.99 H new ATOM 0 HG11 VAL A 38 -1.493 -8.375 -0.964 1.00 1.83 H new ATOM 0 HG12 VAL A 38 -0.539 -6.889 -0.745 1.00 1.83 H new ATOM 0 HG13 VAL A 38 -0.936 -7.907 0.660 1.00 1.83 H new ATOM 0 HG21 VAL A 38 -3.832 -8.480 -0.215 1.00 1.37 H new ATOM 0 HG22 VAL A 38 -3.361 -8.029 1.441 1.00 1.37 H new ATOM 0 HG23 VAL A 38 -4.590 -7.077 0.576 1.00 1.37 H new ATOM 605 N LYS A 39 -1.583 -3.944 -0.792 1.00 0.48 N ATOM 606 CA LYS A 39 -0.669 -3.088 -1.533 1.00 0.37 C ATOM 607 C LYS A 39 -1.437 -2.059 -2.348 1.00 0.42 C ATOM 608 O LYS A 39 -2.462 -2.375 -2.942 1.00 1.01 O ATOM 609 CB LYS A 39 0.154 -3.962 -2.460 1.00 0.93 C ATOM 610 CG LYS A 39 -0.692 -5.023 -3.165 1.00 1.70 C ATOM 611 CD LYS A 39 0.146 -6.059 -3.900 1.00 2.26 C ATOM 612 CE LYS A 39 1.215 -6.661 -3.002 1.00 2.93 C ATOM 613 NZ LYS A 39 1.963 -7.753 -3.684 1.00 3.46 N ATOM 0 H LYS A 39 -2.539 -3.927 -1.148 1.00 0.48 H new ATOM 0 HA LYS A 39 -0.023 -2.554 -0.836 1.00 0.37 H new ATOM 0 HB2 LYS A 39 0.643 -3.336 -3.207 1.00 0.93 H new ATOM 0 HB3 LYS A 39 0.943 -4.451 -1.889 1.00 0.93 H new ATOM 0 HG2 LYS A 39 -1.320 -5.527 -2.430 1.00 1.70 H new ATOM 0 HG3 LYS A 39 -1.360 -4.535 -3.874 1.00 1.70 H new ATOM 0 HD2 LYS A 39 -0.502 -6.851 -4.275 1.00 2.26 H new ATOM 0 HD3 LYS A 39 0.618 -5.596 -4.767 1.00 2.26 H new ATOM 0 HE2 LYS A 39 1.912 -5.881 -2.694 1.00 2.93 H new ATOM 0 HE3 LYS A 39 0.751 -7.050 -2.096 1.00 2.93 H new ATOM 0 HZ1 LYS A 39 2.682 -8.137 -3.038 1.00 3.46 H new ATOM 0 HZ2 LYS A 39 1.303 -8.509 -3.956 1.00 3.46 H new ATOM 0 HZ3 LYS A 39 2.427 -7.377 -4.535 1.00 3.46 H new ATOM 627 N GLY A 40 -0.940 -0.828 -2.369 1.00 0.34 N ATOM 628 CA GLY A 40 -1.608 0.215 -3.118 1.00 0.25 C ATOM 629 C GLY A 40 -0.979 0.454 -4.471 1.00 0.40 C ATOM 630 O GLY A 40 -1.660 0.446 -5.495 1.00 0.49 O ATOM 0 H GLY A 40 -0.092 -0.536 -1.884 1.00 0.34 H new ATOM 0 HA2 GLY A 40 -2.656 -0.053 -3.251 1.00 0.25 H new ATOM 0 HA3 GLY A 40 -1.586 1.141 -2.543 1.00 0.25 H new ATOM 634 N VAL A 41 0.337 0.667 -4.470 1.00 0.54 N ATOM 635 CA VAL A 41 1.078 0.911 -5.702 1.00 0.73 C ATOM 636 C VAL A 41 0.704 -0.121 -6.753 1.00 0.78 C ATOM 637 O VAL A 41 0.451 0.212 -7.911 1.00 0.95 O ATOM 638 CB VAL A 41 2.596 0.876 -5.450 1.00 0.90 C ATOM 639 CG1 VAL A 41 3.371 1.049 -6.749 1.00 1.46 C ATOM 640 CG2 VAL A 41 2.990 1.944 -4.442 1.00 1.53 C ATOM 0 H VAL A 41 0.910 0.675 -3.627 1.00 0.54 H new ATOM 0 HA VAL A 41 0.813 1.904 -6.064 1.00 0.73 H new ATOM 0 HB VAL A 41 2.850 -0.101 -5.038 1.00 0.90 H new ATOM 0 HG11 VAL A 41 4.441 1.020 -6.541 1.00 1.46 H new ATOM 0 HG12 VAL A 41 3.113 0.243 -7.437 1.00 1.46 H new ATOM 0 HG13 VAL A 41 3.115 2.007 -7.201 1.00 1.46 H new ATOM 0 HG21 VAL A 41 4.066 1.907 -4.274 1.00 1.53 H new ATOM 0 HG22 VAL A 41 2.717 2.926 -4.827 1.00 1.53 H new ATOM 0 HG23 VAL A 41 2.470 1.766 -3.501 1.00 1.53 H new ATOM 650 N HIS A 42 0.637 -1.374 -6.325 1.00 0.68 N ATOM 651 CA HIS A 42 0.254 -2.459 -7.209 1.00 0.76 C ATOM 652 C HIS A 42 -1.242 -2.375 -7.479 1.00 0.71 C ATOM 653 O HIS A 42 -1.710 -2.671 -8.579 1.00 0.84 O ATOM 654 CB HIS A 42 0.598 -3.811 -6.578 1.00 0.78 C ATOM 655 CG HIS A 42 2.013 -3.904 -6.094 1.00 1.62 C ATOM 656 ND1 HIS A 42 3.105 -3.722 -6.918 1.00 2.42 N ATOM 657 CD2 HIS A 42 2.513 -4.161 -4.859 1.00 2.23 C ATOM 658 CE1 HIS A 42 4.213 -3.862 -6.213 1.00 3.43 C ATOM 659 NE2 HIS A 42 3.882 -4.127 -4.963 1.00 3.33 N ATOM 0 H HIS A 42 0.844 -1.662 -5.369 1.00 0.68 H new ATOM 0 HA HIS A 42 0.803 -2.370 -8.147 1.00 0.76 H new ATOM 0 HB2 HIS A 42 -0.076 -3.994 -5.741 1.00 0.78 H new ATOM 0 HB3 HIS A 42 0.420 -4.600 -7.309 1.00 0.78 H new ATOM 0 HD2 HIS A 42 1.942 -4.356 -3.963 1.00 2.23 H new ATOM 0 HE1 HIS A 42 5.220 -3.774 -6.595 1.00 3.43 H new ATOM 0 HE2 HIS A 42 4.538 -4.282 -4.197 1.00 3.33 H new ATOM 668 N VAL A 43 -1.985 -1.965 -6.451 1.00 0.57 N ATOM 669 CA VAL A 43 -3.432 -1.833 -6.548 1.00 0.58 C ATOM 670 C VAL A 43 -3.843 -0.388 -6.832 1.00 0.56 C ATOM 671 O VAL A 43 -4.852 0.093 -6.314 1.00 0.55 O ATOM 672 CB VAL A 43 -4.120 -2.325 -5.254 1.00 0.53 C ATOM 673 CG1 VAL A 43 -5.635 -2.273 -5.394 1.00 0.62 C ATOM 674 CG2 VAL A 43 -3.660 -3.740 -4.933 1.00 0.56 C ATOM 0 H VAL A 43 -1.602 -1.718 -5.538 1.00 0.57 H new ATOM 0 HA VAL A 43 -3.757 -2.456 -7.382 1.00 0.58 H new ATOM 0 HB VAL A 43 -3.837 -1.666 -4.434 1.00 0.53 H new ATOM 0 HG11 VAL A 43 -6.098 -2.624 -4.472 1.00 0.62 H new ATOM 0 HG12 VAL A 43 -5.947 -1.247 -5.590 1.00 0.62 H new ATOM 0 HG13 VAL A 43 -5.946 -2.911 -6.221 1.00 0.62 H new ATOM 0 HG21 VAL A 43 -4.147 -4.083 -4.020 1.00 0.56 H new ATOM 0 HG22 VAL A 43 -3.924 -4.404 -5.756 1.00 0.56 H new ATOM 0 HG23 VAL A 43 -2.579 -3.748 -4.792 1.00 0.56 H new ATOM 684 N ALA A 44 -3.063 0.305 -7.658 1.00 0.62 N ATOM 685 CA ALA A 44 -3.364 1.691 -7.996 1.00 0.63 C ATOM 686 C ALA A 44 -3.411 2.536 -6.732 1.00 0.50 C ATOM 687 O ALA A 44 -4.485 2.879 -6.239 1.00 0.51 O ATOM 688 CB ALA A 44 -4.684 1.771 -8.750 1.00 0.75 C ATOM 0 H ALA A 44 -2.224 -0.068 -8.102 1.00 0.62 H new ATOM 0 HA ALA A 44 -2.577 2.081 -8.642 1.00 0.63 H new ATOM 0 HB1 ALA A 44 -4.899 2.810 -8.998 1.00 0.75 H new ATOM 0 HB2 ALA A 44 -4.615 1.186 -9.667 1.00 0.75 H new ATOM 0 HB3 ALA A 44 -5.484 1.374 -8.126 1.00 0.75 H new ATOM 694 N GLU A 45 -2.235 2.831 -6.193 1.00 0.46 N ATOM 695 CA GLU A 45 -2.130 3.599 -4.957 1.00 0.37 C ATOM 696 C GLU A 45 -2.813 4.962 -5.042 1.00 0.35 C ATOM 697 O GLU A 45 -3.775 5.231 -4.323 1.00 0.39 O ATOM 698 CB GLU A 45 -0.661 3.796 -4.569 1.00 0.48 C ATOM 699 CG GLU A 45 -0.453 4.685 -3.348 1.00 0.57 C ATOM 700 CD GLU A 45 0.989 5.120 -3.178 1.00 0.76 C ATOM 701 OE1 GLU A 45 1.831 4.723 -4.011 1.00 1.21 O ATOM 702 OE2 GLU A 45 1.278 5.859 -2.213 1.00 1.28 O ATOM 0 H GLU A 45 -1.339 2.550 -6.592 1.00 0.46 H new ATOM 0 HA GLU A 45 -2.647 3.017 -4.193 1.00 0.37 H new ATOM 0 HB2 GLU A 45 -0.214 2.821 -4.376 1.00 0.48 H new ATOM 0 HB3 GLU A 45 -0.128 4.229 -5.415 1.00 0.48 H new ATOM 0 HG2 GLU A 45 -1.086 5.568 -3.435 1.00 0.57 H new ATOM 0 HG3 GLU A 45 -0.774 4.149 -2.455 1.00 0.57 H new ATOM 709 N ASP A 46 -2.290 5.827 -5.901 1.00 0.38 N ATOM 710 CA ASP A 46 -2.823 7.179 -6.056 1.00 0.43 C ATOM 711 C ASP A 46 -4.158 7.202 -6.799 1.00 0.45 C ATOM 712 O ASP A 46 -4.740 8.268 -6.997 1.00 0.67 O ATOM 713 CB ASP A 46 -1.810 8.062 -6.787 1.00 0.57 C ATOM 714 CG ASP A 46 -0.502 8.185 -6.031 1.00 1.40 C ATOM 715 OD1 ASP A 46 0.147 7.145 -5.794 1.00 2.14 O ATOM 716 OD2 ASP A 46 -0.126 9.323 -5.676 1.00 2.07 O ATOM 0 H ASP A 46 -1.494 5.618 -6.504 1.00 0.38 H new ATOM 0 HA ASP A 46 -3.002 7.568 -5.054 1.00 0.43 H new ATOM 0 HB2 ASP A 46 -1.617 7.647 -7.776 1.00 0.57 H new ATOM 0 HB3 ASP A 46 -2.236 9.054 -6.935 1.00 0.57 H new ATOM 721 N VAL A 47 -4.645 6.040 -7.217 1.00 0.35 N ATOM 722 CA VAL A 47 -5.905 5.972 -7.939 1.00 0.41 C ATOM 723 C VAL A 47 -7.084 5.775 -6.996 1.00 0.41 C ATOM 724 O VAL A 47 -8.148 6.365 -7.185 1.00 0.51 O ATOM 725 CB VAL A 47 -5.894 4.831 -8.970 1.00 0.50 C ATOM 726 CG1 VAL A 47 -7.202 4.797 -9.747 1.00 0.59 C ATOM 727 CG2 VAL A 47 -4.708 4.974 -9.911 1.00 0.56 C ATOM 0 H VAL A 47 -4.189 5.140 -7.069 1.00 0.35 H new ATOM 0 HA VAL A 47 -6.020 6.926 -8.454 1.00 0.41 H new ATOM 0 HB VAL A 47 -5.793 3.886 -8.437 1.00 0.50 H new ATOM 0 HG11 VAL A 47 -7.174 3.983 -10.471 1.00 0.59 H new ATOM 0 HG12 VAL A 47 -8.031 4.640 -9.057 1.00 0.59 H new ATOM 0 HG13 VAL A 47 -7.339 5.743 -10.270 1.00 0.59 H new ATOM 0 HG21 VAL A 47 -4.716 4.158 -10.634 1.00 0.56 H new ATOM 0 HG22 VAL A 47 -4.774 5.926 -10.438 1.00 0.56 H new ATOM 0 HG23 VAL A 47 -3.782 4.941 -9.337 1.00 0.56 H new ATOM 737 N ALA A 48 -6.897 4.928 -5.990 1.00 0.38 N ATOM 738 CA ALA A 48 -7.959 4.639 -5.035 1.00 0.44 C ATOM 739 C ALA A 48 -8.056 5.693 -3.929 1.00 0.39 C ATOM 740 O ALA A 48 -9.146 6.011 -3.473 1.00 0.46 O ATOM 741 CB ALA A 48 -7.765 3.253 -4.445 1.00 0.52 C ATOM 0 H ALA A 48 -6.023 4.431 -5.815 1.00 0.38 H new ATOM 0 HA ALA A 48 -8.904 4.670 -5.578 1.00 0.44 H new ATOM 0 HB1 ALA A 48 -8.563 3.046 -3.732 1.00 0.52 H new ATOM 0 HB2 ALA A 48 -7.790 2.511 -5.243 1.00 0.52 H new ATOM 0 HB3 ALA A 48 -6.803 3.206 -3.935 1.00 0.52 H new ATOM 747 N LYS A 49 -6.925 6.227 -3.485 1.00 0.35 N ATOM 748 CA LYS A 49 -6.936 7.229 -2.419 1.00 0.41 C ATOM 749 C LYS A 49 -7.925 8.339 -2.711 1.00 0.43 C ATOM 750 O LYS A 49 -8.748 8.681 -1.869 1.00 0.59 O ATOM 751 CB LYS A 49 -5.534 7.796 -2.215 1.00 0.49 C ATOM 752 CG LYS A 49 -5.405 8.703 -1.008 1.00 1.19 C ATOM 753 CD LYS A 49 -3.956 9.069 -0.715 1.00 1.51 C ATOM 754 CE LYS A 49 -3.382 10.004 -1.768 1.00 1.95 C ATOM 755 NZ LYS A 49 -3.220 9.335 -3.088 1.00 2.65 N ATOM 0 H LYS A 49 -5.998 5.989 -3.839 1.00 0.35 H new ATOM 0 HA LYS A 49 -7.255 6.739 -1.499 1.00 0.41 H new ATOM 0 HB2 LYS A 49 -4.831 6.970 -2.112 1.00 0.49 H new ATOM 0 HB3 LYS A 49 -5.245 8.352 -3.107 1.00 0.49 H new ATOM 0 HG2 LYS A 49 -5.981 9.613 -1.176 1.00 1.19 H new ATOM 0 HG3 LYS A 49 -5.836 8.209 -0.137 1.00 1.19 H new ATOM 0 HD2 LYS A 49 -3.892 9.543 0.264 1.00 1.51 H new ATOM 0 HD3 LYS A 49 -3.355 8.161 -0.669 1.00 1.51 H new ATOM 0 HE2 LYS A 49 -4.037 10.869 -1.879 1.00 1.95 H new ATOM 0 HE3 LYS A 49 -2.415 10.377 -1.431 1.00 1.95 H new ATOM 0 HZ1 LYS A 49 -2.335 9.652 -3.532 1.00 2.65 H new ATOM 0 HZ2 LYS A 49 -3.190 8.304 -2.953 1.00 2.65 H new ATOM 0 HZ3 LYS A 49 -4.022 9.581 -3.702 1.00 2.65 H new ATOM 769 N ASP A 50 -7.859 8.895 -3.905 1.00 0.41 N ATOM 770 CA ASP A 50 -8.778 9.954 -4.276 1.00 0.50 C ATOM 771 C ASP A 50 -10.215 9.488 -4.105 1.00 0.51 C ATOM 772 O ASP A 50 -11.115 10.289 -3.854 1.00 0.68 O ATOM 773 CB ASP A 50 -8.530 10.413 -5.709 1.00 0.58 C ATOM 774 CG ASP A 50 -7.131 10.964 -5.907 1.00 1.27 C ATOM 775 OD1 ASP A 50 -6.350 10.969 -4.933 1.00 1.69 O ATOM 776 OD2 ASP A 50 -6.817 11.391 -7.038 1.00 1.96 O ATOM 0 H ASP A 50 -7.187 8.635 -4.627 1.00 0.41 H new ATOM 0 HA ASP A 50 -8.606 10.804 -3.616 1.00 0.50 H new ATOM 0 HB2 ASP A 50 -8.687 9.575 -6.388 1.00 0.58 H new ATOM 0 HB3 ASP A 50 -9.260 11.178 -5.974 1.00 0.58 H new ATOM 781 N TYR A 51 -10.417 8.182 -4.224 1.00 0.51 N ATOM 782 CA TYR A 51 -11.738 7.603 -4.066 1.00 0.57 C ATOM 783 C TYR A 51 -12.265 7.850 -2.659 1.00 0.52 C ATOM 784 O TYR A 51 -13.323 8.432 -2.479 1.00 0.58 O ATOM 785 CB TYR A 51 -11.696 6.114 -4.309 1.00 0.66 C ATOM 786 CG TYR A 51 -13.061 5.496 -4.453 1.00 0.68 C ATOM 787 CD1 TYR A 51 -13.794 5.635 -5.624 1.00 1.08 C ATOM 788 CD2 TYR A 51 -13.624 4.783 -3.406 1.00 0.72 C ATOM 789 CE1 TYR A 51 -15.053 5.075 -5.748 1.00 1.16 C ATOM 790 CE2 TYR A 51 -14.880 4.219 -3.521 1.00 0.78 C ATOM 791 CZ TYR A 51 -15.591 4.370 -4.694 1.00 0.86 C ATOM 792 OH TYR A 51 -16.843 3.810 -4.813 1.00 0.99 O ATOM 0 H TYR A 51 -9.681 7.507 -4.429 1.00 0.51 H new ATOM 0 HA TYR A 51 -12.397 8.076 -4.794 1.00 0.57 H new ATOM 0 HB2 TYR A 51 -11.118 5.916 -5.212 1.00 0.66 H new ATOM 0 HB3 TYR A 51 -11.172 5.633 -3.483 1.00 0.66 H new ATOM 0 HD1 TYR A 51 -13.375 6.189 -6.451 1.00 1.08 H new ATOM 0 HD2 TYR A 51 -13.072 4.666 -2.485 1.00 0.72 H new ATOM 0 HE1 TYR A 51 -15.611 5.190 -6.666 1.00 1.16 H new ATOM 0 HE2 TYR A 51 -15.303 3.663 -2.697 1.00 0.78 H new ATOM 0 HH TYR A 51 -17.074 3.346 -3.981 1.00 0.99 H new ATOM 802 N GLU A 52 -11.506 7.407 -1.664 1.00 0.49 N ATOM 803 CA GLU A 52 -11.895 7.592 -0.267 1.00 0.58 C ATOM 804 C GLU A 52 -11.332 8.901 0.225 1.00 0.57 C ATOM 805 O GLU A 52 -12.059 9.842 0.545 1.00 0.66 O ATOM 806 CB GLU A 52 -11.353 6.450 0.603 1.00 0.78 C ATOM 807 CG GLU A 52 -12.182 6.162 1.851 1.00 1.39 C ATOM 808 CD GLU A 52 -12.062 7.221 2.938 1.00 2.19 C ATOM 809 OE1 GLU A 52 -11.326 8.203 2.720 1.00 2.76 O ATOM 810 OE2 GLU A 52 -12.701 7.077 3.998 1.00 2.81 O ATOM 0 H GLU A 52 -10.620 6.919 -1.795 1.00 0.49 H new ATOM 0 HA GLU A 52 -12.983 7.595 -0.199 1.00 0.58 H new ATOM 0 HB2 GLU A 52 -11.299 5.544 -0.000 1.00 0.78 H new ATOM 0 HB3 GLU A 52 -10.334 6.692 0.906 1.00 0.78 H new ATOM 0 HG2 GLU A 52 -13.229 6.069 1.564 1.00 1.39 H new ATOM 0 HG3 GLU A 52 -11.877 5.200 2.262 1.00 1.39 H new ATOM 817 N ASP A 53 -10.010 8.941 0.262 1.00 0.57 N ATOM 818 CA ASP A 53 -9.272 10.113 0.691 1.00 0.66 C ATOM 819 C ASP A 53 -9.862 11.378 0.064 1.00 0.78 C ATOM 820 O ASP A 53 -9.812 12.459 0.651 1.00 0.99 O ATOM 821 CB ASP A 53 -7.805 9.963 0.282 1.00 0.69 C ATOM 822 CG ASP A 53 -6.871 10.724 1.203 1.00 1.27 C ATOM 823 OD1 ASP A 53 -7.369 11.381 2.141 1.00 2.12 O ATOM 824 OD2 ASP A 53 -5.643 10.663 0.987 1.00 1.61 O ATOM 0 H ASP A 53 -9.417 8.156 -0.007 1.00 0.57 H new ATOM 0 HA ASP A 53 -9.343 10.202 1.775 1.00 0.66 H new ATOM 0 HB2 ASP A 53 -7.535 8.907 0.286 1.00 0.69 H new ATOM 0 HB3 ASP A 53 -7.676 10.321 -0.739 1.00 0.69 H new ATOM 829 N GLY A 54 -10.415 11.226 -1.140 1.00 0.76 N ATOM 830 CA GLY A 54 -11.002 12.353 -1.839 1.00 0.99 C ATOM 831 C GLY A 54 -12.515 12.439 -1.693 1.00 1.06 C ATOM 832 O GLY A 54 -13.038 13.476 -1.283 1.00 1.27 O ATOM 0 H GLY A 54 -10.465 10.339 -1.642 1.00 0.76 H new ATOM 0 HA2 GLY A 54 -10.556 13.274 -1.465 1.00 0.99 H new ATOM 0 HA3 GLY A 54 -10.751 12.284 -2.897 1.00 0.99 H new ATOM 836 N LEU A 55 -13.225 11.363 -2.038 1.00 0.96 N ATOM 837 CA LEU A 55 -14.684 11.361 -1.944 1.00 1.08 C ATOM 838 C LEU A 55 -15.137 11.238 -0.500 1.00 1.17 C ATOM 839 O LEU A 55 -15.669 12.195 0.058 1.00 1.46 O ATOM 840 CB LEU A 55 -15.280 10.273 -2.826 1.00 1.14 C ATOM 841 CG LEU A 55 -14.627 10.159 -4.212 1.00 1.50 C ATOM 842 CD1 LEU A 55 -15.307 9.097 -5.061 1.00 2.32 C ATOM 843 CD2 LEU A 55 -14.665 11.504 -4.922 1.00 2.04 C ATOM 0 H LEU A 55 -12.819 10.492 -2.381 1.00 0.96 H new ATOM 0 HA LEU A 55 -15.055 12.317 -2.314 1.00 1.08 H new ATOM 0 HB2 LEU A 55 -15.189 9.315 -2.314 1.00 1.14 H new ATOM 0 HB3 LEU A 55 -16.345 10.467 -2.953 1.00 1.14 H new ATOM 0 HG LEU A 55 -13.589 9.859 -4.070 1.00 1.50 H new ATOM 0 HD11 LEU A 55 -14.820 9.043 -6.035 1.00 2.32 H new ATOM 0 HD12 LEU A 55 -15.232 8.130 -4.563 1.00 2.32 H new ATOM 0 HD13 LEU A 55 -16.357 9.356 -5.195 1.00 2.32 H new ATOM 0 HD21 LEU A 55 -14.199 11.411 -5.903 1.00 2.04 H new ATOM 0 HD22 LEU A 55 -15.700 11.824 -5.041 1.00 2.04 H new ATOM 0 HD23 LEU A 55 -14.123 12.242 -4.332 1.00 2.04 H new ATOM 855 N GLU A 56 -14.894 10.098 0.134 1.00 1.14 N ATOM 856 CA GLU A 56 -15.268 9.945 1.540 1.00 1.35 C ATOM 857 C GLU A 56 -14.208 10.603 2.431 1.00 1.40 C ATOM 858 O GLU A 56 -13.666 9.966 3.334 1.00 1.53 O ATOM 859 CB GLU A 56 -15.398 8.478 1.954 1.00 1.50 C ATOM 860 CG GLU A 56 -15.916 8.326 3.379 1.00 2.03 C ATOM 861 CD GLU A 56 -15.464 7.047 4.055 1.00 2.47 C ATOM 862 OE1 GLU A 56 -15.748 5.960 3.523 1.00 2.88 O ATOM 863 OE2 GLU A 56 -14.832 7.137 5.128 1.00 2.96 O ATOM 0 H GLU A 56 -14.451 9.282 -0.287 1.00 1.14 H new ATOM 0 HA GLU A 56 -16.239 10.424 1.663 1.00 1.35 H new ATOM 0 HB2 GLU A 56 -16.073 7.967 1.267 1.00 1.50 H new ATOM 0 HB3 GLU A 56 -14.427 7.991 1.868 1.00 1.50 H new ATOM 0 HG2 GLU A 56 -15.582 9.178 3.971 1.00 2.03 H new ATOM 0 HG3 GLU A 56 -17.006 8.355 3.366 1.00 2.03 H new ATOM 870 N TYR A 57 -13.889 11.866 2.162 1.00 1.40 N ATOM 871 CA TYR A 57 -12.875 12.573 2.934 1.00 1.54 C ATOM 872 C TYR A 57 -13.160 12.475 4.430 1.00 1.86 C ATOM 873 O TYR A 57 -12.489 11.668 5.105 1.00 2.28 O ATOM 874 CB TYR A 57 -12.824 14.040 2.506 1.00 1.67 C ATOM 875 CG TYR A 57 -11.812 14.861 3.265 1.00 2.04 C ATOM 876 CD1 TYR A 57 -10.552 14.353 3.551 1.00 2.75 C ATOM 877 CD2 TYR A 57 -12.115 16.146 3.697 1.00 2.29 C ATOM 878 CE1 TYR A 57 -9.622 15.099 4.246 1.00 3.60 C ATOM 879 CE2 TYR A 57 -11.190 16.900 4.393 1.00 3.06 C ATOM 880 CZ TYR A 57 -9.947 16.378 4.663 1.00 3.70 C ATOM 881 OH TYR A 57 -9.022 17.121 5.358 1.00 4.67 O ATOM 882 OXT TYR A 57 -14.052 13.205 4.912 1.00 2.26 O ATOM 0 H TYR A 57 -14.317 12.418 1.418 1.00 1.40 H new ATOM 0 HA TYR A 57 -11.909 12.107 2.740 1.00 1.54 H new ATOM 0 HB2 TYR A 57 -12.594 14.090 1.442 1.00 1.67 H new ATOM 0 HB3 TYR A 57 -13.811 14.482 2.640 1.00 1.67 H new ATOM 0 HD1 TYR A 57 -10.295 13.356 3.224 1.00 2.75 H new ATOM 0 HD2 TYR A 57 -13.089 16.562 3.485 1.00 2.29 H new ATOM 0 HE1 TYR A 57 -8.647 14.688 4.463 1.00 3.60 H new ATOM 0 HE2 TYR A 57 -11.442 17.897 4.724 1.00 3.06 H new ATOM 0 HH TYR A 57 -9.404 17.996 5.577 1.00 4.67 H new TER 892 TYR A 57