USER MOD reduce.3.24.130724 H: found=0, std=0, add=440, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 440 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 23 TYR OH : rot 180:sc= 0.841 USER MOD Set 1.2: A 44 LYS NZ :NH3+ 134:sc= 0.973 (180deg=0) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 175:sc=-0.00419 (180deg=-0.0415) USER MOD Single : A 3 SER OG : rot 180:sc= -0.0606 USER MOD Single : A 5 THR OG1 : rot -52:sc= 0.706 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 ASN : amide:sc= 0.56 K(o=0.56,f=-6.7!) USER MOD Single : A 16 GLN : amide:sc= -0.331 X(o=-0.33,f=-0.0029) USER MOD Single : A 20 THR OG1 : rot 35:sc= 0.168 USER MOD Single : A 22 LYS NZ :NH3+ -170:sc= 1.4 (180deg=0.942) USER MOD Single : A 27 SER OG : rot -89:sc= 0.464 USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 38 LYS NZ :NH3+ 128:sc= 1.04 (180deg=-0.869) USER MOD Single : A 39 GLN : amide:sc= 0 X(o=0,f=-0.26) USER MOD Single : A 40 THR OG1 : rot 180:sc= -0.215 USER MOD Single : A 43 ASN : amide:sc= -0.709 X(o=-0.71,f=-1.1) USER MOD Single : A 46 GLN : amide:sc= -1.49! C(o=-1.5!,f=-6.6!) USER MOD Single : A 49 THR OG1 : rot 180:sc= -0.287 USER MOD Single : A 51 LYS NZ :NH3+ -121:sc= -0.281 (180deg=-1.02!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -15.245 9.009 -0.967 1.00 44.15 N ATOM 2 CA MET A 1 -14.043 9.446 -1.729 1.00 34.22 C ATOM 3 C MET A 1 -12.931 8.386 -1.674 1.00 4.41 C ATOM 4 O MET A 1 -12.617 7.862 -0.605 1.00 53.30 O ATOM 5 CB MET A 1 -13.522 10.790 -1.189 1.00 20.23 C ATOM 6 CG MET A 1 -13.077 10.754 0.269 1.00 15.42 C ATOM 7 SD MET A 1 -12.465 12.352 0.845 1.00 0.54 S ATOM 8 CE MET A 1 -11.989 11.955 2.528 1.00 2.13 C ATOM 0 H1 MET A 1 -15.945 9.778 -0.951 1.00 44.15 H new ATOM 0 H2 MET A 1 -15.661 8.172 -1.424 1.00 44.15 H new ATOM 0 H3 MET A 1 -14.971 8.771 0.007 1.00 44.15 H new ATOM 0 HA MET A 1 -14.338 9.573 -2.771 1.00 34.22 H new ATOM 0 HB2 MET A 1 -12.683 11.114 -1.804 1.00 20.23 H new ATOM 0 HB3 MET A 1 -14.306 11.540 -1.299 1.00 20.23 H new ATOM 0 HG2 MET A 1 -13.914 10.443 0.893 1.00 15.42 H new ATOM 0 HG3 MET A 1 -12.295 10.005 0.388 1.00 15.42 H new ATOM 0 HE1 MET A 1 -11.591 12.846 3.013 1.00 2.13 H new ATOM 0 HE2 MET A 1 -12.860 11.600 3.078 1.00 2.13 H new ATOM 0 HE3 MET A 1 -11.226 11.177 2.516 1.00 2.13 H new ATOM 20 N ALA A 2 -12.344 8.080 -2.832 1.00 72.22 N ATOM 21 CA ALA A 2 -11.277 7.074 -2.931 1.00 53.10 C ATOM 22 C ALA A 2 -10.652 7.050 -4.334 1.00 22.31 C ATOM 23 O ALA A 2 -11.013 7.847 -5.206 1.00 12.31 O ATOM 24 CB ALA A 2 -11.809 5.689 -2.571 1.00 42.13 C ATOM 0 H ALA A 2 -12.589 8.516 -3.721 1.00 72.22 H new ATOM 0 HA ALA A 2 -10.499 7.352 -2.220 1.00 53.10 H new ATOM 0 HB1 ALA A 2 -11.004 4.958 -2.650 1.00 42.13 H new ATOM 0 HB2 ALA A 2 -12.190 5.700 -1.550 1.00 42.13 H new ATOM 0 HB3 ALA A 2 -12.613 5.419 -3.256 1.00 42.13 H new ATOM 30 N SER A 3 -9.719 6.128 -4.547 1.00 44.33 N ATOM 31 CA SER A 3 -9.025 5.994 -5.836 1.00 5.51 C ATOM 32 C SER A 3 -8.384 4.607 -5.964 1.00 31.12 C ATOM 33 O SER A 3 -7.902 4.057 -4.974 1.00 24.14 O ATOM 34 CB SER A 3 -7.936 7.074 -5.973 1.00 25.42 C ATOM 35 OG SER A 3 -7.265 6.986 -7.222 1.00 10.01 O ATOM 0 H SER A 3 -9.420 5.455 -3.842 1.00 44.33 H new ATOM 0 HA SER A 3 -9.761 6.120 -6.630 1.00 5.51 H new ATOM 0 HB2 SER A 3 -8.387 8.061 -5.871 1.00 25.42 H new ATOM 0 HB3 SER A 3 -7.214 6.968 -5.163 1.00 25.42 H new ATOM 0 HG SER A 3 -6.582 7.686 -7.276 1.00 10.01 H new ATOM 41 N PRO A 4 -8.378 4.006 -7.171 1.00 24.30 N ATOM 42 CA PRO A 4 -7.693 2.723 -7.391 1.00 52.24 C ATOM 43 C PRO A 4 -6.164 2.889 -7.403 1.00 72.22 C ATOM 44 O PRO A 4 -5.598 3.523 -8.299 1.00 22.41 O ATOM 45 CB PRO A 4 -8.215 2.279 -8.765 1.00 72.03 C ATOM 46 CG PRO A 4 -8.560 3.551 -9.469 1.00 64.30 C ATOM 47 CD PRO A 4 -9.027 4.510 -8.401 1.00 51.02 C ATOM 0 HA PRO A 4 -7.891 1.998 -6.601 1.00 52.24 H new ATOM 0 HB2 PRO A 4 -7.459 1.716 -9.313 1.00 72.03 H new ATOM 0 HB3 PRO A 4 -9.086 1.632 -8.667 1.00 72.03 H new ATOM 0 HG2 PRO A 4 -7.695 3.950 -9.999 1.00 64.30 H new ATOM 0 HG3 PRO A 4 -9.340 3.386 -10.212 1.00 64.30 H new ATOM 0 HD2 PRO A 4 -8.726 5.534 -8.622 1.00 51.02 H new ATOM 0 HD3 PRO A 4 -10.113 4.510 -8.310 1.00 51.02 H new ATOM 55 N THR A 5 -5.498 2.304 -6.413 1.00 64.34 N ATOM 56 CA THR A 5 -4.053 2.475 -6.242 1.00 23.21 C ATOM 57 C THR A 5 -3.285 1.172 -6.503 1.00 4.52 C ATOM 58 O THR A 5 -3.785 0.078 -6.249 1.00 2.44 O ATOM 59 CB THR A 5 -3.713 2.974 -4.813 1.00 72.45 C ATOM 60 OG1 THR A 5 -4.418 4.193 -4.524 1.00 2.24 O ATOM 61 CG2 THR A 5 -2.215 3.212 -4.652 1.00 30.41 C ATOM 0 H THR A 5 -5.935 1.705 -5.713 1.00 64.34 H new ATOM 0 HA THR A 5 -3.745 3.220 -6.976 1.00 23.21 H new ATOM 0 HB THR A 5 -4.023 2.198 -4.114 1.00 72.45 H new ATOM 0 HG1 THR A 5 -4.263 4.839 -5.244 1.00 2.24 H new ATOM 0 HG21 THR A 5 -2.009 3.561 -3.640 1.00 30.41 H new ATOM 0 HG22 THR A 5 -1.677 2.281 -4.831 1.00 30.41 H new ATOM 0 HG23 THR A 5 -1.887 3.964 -5.369 1.00 30.41 H new ATOM 69 N VAL A 6 -2.066 1.301 -7.021 1.00 63.01 N ATOM 70 CA VAL A 6 -1.163 0.162 -7.179 1.00 31.02 C ATOM 71 C VAL A 6 0.133 0.388 -6.383 1.00 62.44 C ATOM 72 O VAL A 6 0.927 1.281 -6.684 1.00 44.04 O ATOM 73 CB VAL A 6 -0.836 -0.119 -8.671 1.00 33.45 C ATOM 74 CG1 VAL A 6 -0.251 1.116 -9.358 1.00 35.24 C ATOM 75 CG2 VAL A 6 0.105 -1.320 -8.804 1.00 62.51 C ATOM 0 H VAL A 6 -1.678 2.189 -7.341 1.00 63.01 H new ATOM 0 HA VAL A 6 -1.676 -0.715 -6.785 1.00 31.02 H new ATOM 0 HB VAL A 6 -1.771 -0.362 -9.176 1.00 33.45 H new ATOM 0 HG11 VAL A 6 -0.034 0.884 -10.401 1.00 35.24 H new ATOM 0 HG12 VAL A 6 -0.970 1.934 -9.311 1.00 35.24 H new ATOM 0 HG13 VAL A 6 0.669 1.412 -8.853 1.00 35.24 H new ATOM 0 HG21 VAL A 6 0.320 -1.499 -9.857 1.00 62.51 H new ATOM 0 HG22 VAL A 6 1.035 -1.114 -8.273 1.00 62.51 H new ATOM 0 HG23 VAL A 6 -0.369 -2.203 -8.376 1.00 62.51 H new ATOM 85 N ILE A 7 0.323 -0.410 -5.344 1.00 41.41 N ATOM 86 CA ILE A 7 1.502 -0.293 -4.490 1.00 3.12 C ATOM 87 C ILE A 7 2.641 -1.180 -4.999 1.00 1.24 C ATOM 88 O ILE A 7 2.603 -2.405 -4.862 1.00 21.05 O ATOM 89 CB ILE A 7 1.175 -0.662 -3.019 1.00 70.40 C ATOM 90 CG1 ILE A 7 0.066 0.255 -2.479 1.00 70.11 C ATOM 91 CG2 ILE A 7 2.426 -0.567 -2.143 1.00 22.22 C ATOM 92 CD1 ILE A 7 -0.325 -0.030 -1.043 1.00 65.23 C ATOM 0 H ILE A 7 -0.324 -1.149 -5.069 1.00 41.41 H new ATOM 0 HA ILE A 7 1.820 0.749 -4.526 1.00 3.12 H new ATOM 0 HB ILE A 7 0.822 -1.693 -2.991 1.00 70.40 H new ATOM 0 HG12 ILE A 7 0.396 1.291 -2.556 1.00 70.11 H new ATOM 0 HG13 ILE A 7 -0.816 0.153 -3.112 1.00 70.11 H new ATOM 0 HG21 ILE A 7 2.172 -0.830 -1.116 1.00 22.22 H new ATOM 0 HG22 ILE A 7 3.185 -1.254 -2.517 1.00 22.22 H new ATOM 0 HG23 ILE A 7 2.813 0.451 -2.171 1.00 22.22 H new ATOM 0 HD11 ILE A 7 -1.112 0.659 -0.737 1.00 65.23 H new ATOM 0 HD12 ILE A 7 -0.687 -1.055 -0.961 1.00 65.23 H new ATOM 0 HD13 ILE A 7 0.543 0.101 -0.397 1.00 65.23 H new ATOM 104 N THR A 8 3.644 -0.551 -5.598 1.00 74.23 N ATOM 105 CA THR A 8 4.806 -1.266 -6.123 1.00 73.12 C ATOM 106 C THR A 8 5.836 -1.523 -5.020 1.00 60.22 C ATOM 107 O THR A 8 6.497 -0.597 -4.559 1.00 32.03 O ATOM 108 CB THR A 8 5.489 -0.473 -7.264 1.00 3.22 C ATOM 109 OG1 THR A 8 4.557 -0.243 -8.336 1.00 63.11 O ATOM 110 CG2 THR A 8 6.715 -1.211 -7.798 1.00 51.14 C ATOM 0 H THR A 8 3.678 0.459 -5.734 1.00 74.23 H new ATOM 0 HA THR A 8 4.442 -2.216 -6.514 1.00 73.12 H new ATOM 0 HB THR A 8 5.816 0.483 -6.855 1.00 3.22 H new ATOM 0 HG1 THR A 8 4.999 0.261 -9.051 1.00 63.11 H new ATOM 0 HG21 THR A 8 7.171 -0.628 -8.598 1.00 51.14 H new ATOM 0 HG22 THR A 8 7.436 -1.349 -6.992 1.00 51.14 H new ATOM 0 HG23 THR A 8 6.414 -2.184 -8.185 1.00 51.14 H new ATOM 118 N LEU A 9 5.956 -2.773 -4.588 1.00 71.21 N ATOM 119 CA LEU A 9 6.967 -3.156 -3.596 1.00 3.55 C ATOM 120 C LEU A 9 8.352 -3.288 -4.249 1.00 42.42 C ATOM 121 O LEU A 9 8.459 -3.575 -5.442 1.00 10.51 O ATOM 122 CB LEU A 9 6.575 -4.476 -2.916 1.00 40.15 C ATOM 123 CG LEU A 9 5.178 -4.490 -2.271 1.00 40.02 C ATOM 124 CD1 LEU A 9 4.906 -5.833 -1.601 1.00 73.05 C ATOM 125 CD2 LEU A 9 5.025 -3.340 -1.275 1.00 14.42 C ATOM 0 H LEU A 9 5.368 -3.543 -4.906 1.00 71.21 H new ATOM 0 HA LEU A 9 7.016 -2.371 -2.841 1.00 3.55 H new ATOM 0 HB2 LEU A 9 6.625 -5.276 -3.655 1.00 40.15 H new ATOM 0 HB3 LEU A 9 7.314 -4.705 -2.149 1.00 40.15 H new ATOM 0 HG LEU A 9 4.439 -4.350 -3.060 1.00 40.02 H new ATOM 0 HD11 LEU A 9 3.913 -5.821 -1.151 1.00 73.05 H new ATOM 0 HD12 LEU A 9 4.958 -6.628 -2.345 1.00 73.05 H new ATOM 0 HD13 LEU A 9 5.652 -6.011 -0.827 1.00 73.05 H new ATOM 0 HD21 LEU A 9 4.029 -3.372 -0.833 1.00 14.42 H new ATOM 0 HD22 LEU A 9 5.774 -3.437 -0.489 1.00 14.42 H new ATOM 0 HD23 LEU A 9 5.162 -2.390 -1.792 1.00 14.42 H new ATOM 137 N ASN A 10 9.412 -3.092 -3.464 1.00 10.42 N ATOM 138 CA ASN A 10 10.782 -3.139 -3.995 1.00 42.43 C ATOM 139 C ASN A 10 11.153 -4.557 -4.480 1.00 5.05 C ATOM 140 O ASN A 10 12.144 -4.745 -5.187 1.00 11.34 O ATOM 141 CB ASN A 10 11.784 -2.649 -2.937 1.00 63.12 C ATOM 142 CG ASN A 10 13.137 -2.295 -3.533 1.00 63.11 C ATOM 143 OD1 ASN A 10 13.232 -1.886 -4.688 1.00 11.32 O ATOM 144 ND2 ASN A 10 14.190 -2.431 -2.756 1.00 2.44 N ATOM 0 H ASN A 10 9.353 -2.900 -2.464 1.00 10.42 H new ATOM 0 HA ASN A 10 10.829 -2.473 -4.857 1.00 42.43 H new ATOM 0 HB2 ASN A 10 11.374 -1.775 -2.431 1.00 63.12 H new ATOM 0 HB3 ASN A 10 11.916 -3.423 -2.181 1.00 63.12 H new ATOM 0 HD21 ASN A 10 15.118 -2.194 -3.108 1.00 2.44 H new ATOM 0 HD22 ASN A 10 14.079 -2.773 -1.802 1.00 2.44 H new ATOM 151 N ASP A 11 10.349 -5.549 -4.092 1.00 63.43 N ATOM 152 CA ASP A 11 10.515 -6.926 -4.577 1.00 42.40 C ATOM 153 C ASP A 11 10.003 -7.087 -6.022 1.00 74.24 C ATOM 154 O ASP A 11 10.205 -8.130 -6.651 1.00 64.51 O ATOM 155 CB ASP A 11 9.765 -7.899 -3.662 1.00 74.42 C ATOM 156 CG ASP A 11 10.207 -7.789 -2.215 1.00 41.24 C ATOM 157 OD1 ASP A 11 11.201 -8.444 -1.840 1.00 61.11 O ATOM 158 OD2 ASP A 11 9.568 -7.039 -1.450 1.00 33.01 O ATOM 0 H ASP A 11 9.573 -5.426 -3.441 1.00 63.43 H new ATOM 0 HA ASP A 11 11.581 -7.151 -4.566 1.00 42.40 H new ATOM 0 HB2 ASP A 11 8.695 -7.704 -3.728 1.00 74.42 H new ATOM 0 HB3 ASP A 11 9.925 -8.919 -4.012 1.00 74.42 H new ATOM 163 N GLY A 12 9.340 -6.052 -6.540 1.00 50.31 N ATOM 164 CA GLY A 12 8.721 -6.128 -7.866 1.00 10.21 C ATOM 165 C GLY A 12 7.265 -6.585 -7.805 1.00 34.20 C ATOM 166 O GLY A 12 6.609 -6.763 -8.835 1.00 3.54 O ATOM 0 H GLY A 12 9.218 -5.157 -6.066 1.00 50.31 H new ATOM 0 HA2 GLY A 12 8.772 -5.150 -8.344 1.00 10.21 H new ATOM 0 HA3 GLY A 12 9.289 -6.818 -8.490 1.00 10.21 H new ATOM 170 N ARG A 13 6.765 -6.773 -6.588 1.00 5.43 N ATOM 171 CA ARG A 13 5.382 -7.198 -6.360 1.00 31.42 C ATOM 172 C ARG A 13 4.436 -5.990 -6.302 1.00 22.52 C ATOM 173 O ARG A 13 4.715 -5.007 -5.620 1.00 63.41 O ATOM 174 CB ARG A 13 5.293 -7.995 -5.052 1.00 74.54 C ATOM 175 CG ARG A 13 3.890 -8.493 -4.730 1.00 34.33 C ATOM 176 CD ARG A 13 3.859 -9.279 -3.427 1.00 62.03 C ATOM 177 NE ARG A 13 2.525 -9.788 -3.126 1.00 62.12 N ATOM 178 CZ ARG A 13 2.283 -10.720 -2.248 1.00 12.14 C ATOM 179 NH1 ARG A 13 3.250 -11.233 -1.555 1.00 35.00 N ATOM 180 NH2 ARG A 13 1.070 -11.127 -2.051 1.00 72.32 N ATOM 0 H ARG A 13 7.303 -6.636 -5.732 1.00 5.43 H new ATOM 0 HA ARG A 13 5.076 -7.830 -7.193 1.00 31.42 H new ATOM 0 HB2 ARG A 13 5.967 -8.850 -5.112 1.00 74.54 H new ATOM 0 HB3 ARG A 13 5.644 -7.369 -4.231 1.00 74.54 H new ATOM 0 HG2 ARG A 13 3.209 -7.644 -4.660 1.00 34.33 H new ATOM 0 HG3 ARG A 13 3.531 -9.123 -5.544 1.00 34.33 H new ATOM 0 HD2 ARG A 13 4.559 -10.112 -3.490 1.00 62.03 H new ATOM 0 HD3 ARG A 13 4.196 -8.640 -2.610 1.00 62.03 H new ATOM 0 HE ARG A 13 1.734 -9.390 -3.633 1.00 62.12 H new ATOM 0 HH11 ARG A 13 4.206 -10.908 -1.695 1.00 35.00 H new ATOM 0 HH12 ARG A 13 3.055 -11.962 -0.869 1.00 35.00 H new ATOM 0 HH21 ARG A 13 0.302 -10.718 -2.583 1.00 72.32 H new ATOM 0 HH22 ARG A 13 0.882 -11.857 -1.363 1.00 72.32 H new ATOM 194 N GLU A 14 3.318 -6.068 -7.018 1.00 51.45 N ATOM 195 CA GLU A 14 2.343 -4.968 -7.051 1.00 25.22 C ATOM 196 C GLU A 14 1.038 -5.343 -6.329 1.00 43.33 C ATOM 197 O GLU A 14 0.457 -6.401 -6.577 1.00 65.23 O ATOM 198 CB GLU A 14 2.055 -4.577 -8.508 1.00 75.12 C ATOM 199 CG GLU A 14 3.269 -3.998 -9.230 1.00 12.44 C ATOM 200 CD GLU A 14 3.042 -3.809 -10.720 1.00 3.44 C ATOM 201 OE1 GLU A 14 2.335 -2.854 -11.104 1.00 53.12 O ATOM 202 OE2 GLU A 14 3.580 -4.607 -11.517 1.00 52.24 O ATOM 0 H GLU A 14 3.060 -6.877 -7.584 1.00 51.45 H new ATOM 0 HA GLU A 14 2.774 -4.117 -6.524 1.00 25.22 H new ATOM 0 HB2 GLU A 14 1.704 -5.455 -9.050 1.00 75.12 H new ATOM 0 HB3 GLU A 14 1.247 -3.846 -8.528 1.00 75.12 H new ATOM 0 HG2 GLU A 14 3.526 -3.038 -8.783 1.00 12.44 H new ATOM 0 HG3 GLU A 14 4.123 -4.659 -9.080 1.00 12.44 H new ATOM 209 N ILE A 15 0.588 -4.467 -5.432 1.00 65.42 N ATOM 210 CA ILE A 15 -0.657 -4.680 -4.680 1.00 4.25 C ATOM 211 C ILE A 15 -1.749 -3.699 -5.138 1.00 24.24 C ATOM 212 O ILE A 15 -1.524 -2.491 -5.188 1.00 10.11 O ATOM 213 CB ILE A 15 -0.423 -4.504 -3.156 1.00 64.14 C ATOM 214 CG1 ILE A 15 0.683 -5.462 -2.670 1.00 12.01 C ATOM 215 CG2 ILE A 15 -1.721 -4.736 -2.380 1.00 64.31 C ATOM 216 CD1 ILE A 15 1.026 -5.312 -1.199 1.00 13.33 C ATOM 0 H ILE A 15 1.068 -3.596 -5.204 1.00 65.42 H new ATOM 0 HA ILE A 15 -0.985 -5.701 -4.877 1.00 4.25 H new ATOM 0 HB ILE A 15 -0.097 -3.480 -2.972 1.00 64.14 H new ATOM 0 HG12 ILE A 15 0.368 -6.489 -2.856 1.00 12.01 H new ATOM 0 HG13 ILE A 15 1.583 -5.292 -3.262 1.00 12.01 H new ATOM 0 HG21 ILE A 15 -1.535 -4.608 -1.314 1.00 64.31 H new ATOM 0 HG22 ILE A 15 -2.473 -4.018 -2.706 1.00 64.31 H new ATOM 0 HG23 ILE A 15 -2.081 -5.748 -2.567 1.00 64.31 H new ATOM 0 HD11 ILE A 15 1.812 -6.020 -0.935 1.00 13.33 H new ATOM 0 HD12 ILE A 15 1.373 -4.297 -1.008 1.00 13.33 H new ATOM 0 HD13 ILE A 15 0.140 -5.512 -0.597 1.00 13.33 H new ATOM 228 N GLN A 16 -2.929 -4.217 -5.469 1.00 71.11 N ATOM 229 CA GLN A 16 -4.027 -3.377 -5.966 1.00 53.34 C ATOM 230 C GLN A 16 -5.028 -3.018 -4.852 1.00 1.30 C ATOM 231 O GLN A 16 -5.563 -3.896 -4.169 1.00 5.40 O ATOM 232 CB GLN A 16 -4.751 -4.080 -7.120 1.00 34.31 C ATOM 233 CG GLN A 16 -3.887 -4.288 -8.360 1.00 13.20 C ATOM 234 CD GLN A 16 -4.653 -4.954 -9.491 1.00 75.55 C ATOM 235 OE1 GLN A 16 -4.668 -6.174 -9.614 1.00 12.33 O ATOM 236 NE2 GLN A 16 -5.298 -4.163 -10.323 1.00 23.03 N ATOM 0 H GLN A 16 -3.154 -5.210 -5.404 1.00 71.11 H new ATOM 0 HA GLN A 16 -3.589 -2.446 -6.327 1.00 53.34 H new ATOM 0 HB2 GLN A 16 -5.110 -5.049 -6.773 1.00 34.31 H new ATOM 0 HB3 GLN A 16 -5.628 -3.495 -7.395 1.00 34.31 H new ATOM 0 HG2 GLN A 16 -3.505 -3.325 -8.700 1.00 13.20 H new ATOM 0 HG3 GLN A 16 -3.023 -4.899 -8.100 1.00 13.20 H new ATOM 0 HE21 GLN A 16 -5.266 -3.152 -10.194 1.00 23.03 H new ATOM 0 HE22 GLN A 16 -5.830 -4.562 -11.097 1.00 23.03 H new ATOM 245 N ALA A 17 -5.288 -1.721 -4.694 1.00 63.22 N ATOM 246 CA ALA A 17 -6.178 -1.219 -3.641 1.00 13.23 C ATOM 247 C ALA A 17 -7.306 -0.335 -4.206 1.00 62.12 C ATOM 248 O ALA A 17 -7.138 0.331 -5.227 1.00 51.24 O ATOM 249 CB ALA A 17 -5.365 -0.441 -2.609 1.00 1.34 C ATOM 0 H ALA A 17 -4.892 -0.991 -5.286 1.00 63.22 H new ATOM 0 HA ALA A 17 -6.650 -2.079 -3.167 1.00 13.23 H new ATOM 0 HB1 ALA A 17 -6.029 -0.069 -1.828 1.00 1.34 H new ATOM 0 HB2 ALA A 17 -4.616 -1.097 -2.166 1.00 1.34 H new ATOM 0 HB3 ALA A 17 -4.870 0.400 -3.095 1.00 1.34 H new ATOM 255 N VAL A 18 -8.454 -0.338 -3.526 1.00 41.31 N ATOM 256 CA VAL A 18 -9.601 0.506 -3.902 1.00 32.53 C ATOM 257 C VAL A 18 -9.613 1.829 -3.113 1.00 70.30 C ATOM 258 O VAL A 18 -10.558 2.617 -3.214 1.00 74.21 O ATOM 259 CB VAL A 18 -10.944 -0.230 -3.660 1.00 34.31 C ATOM 260 CG1 VAL A 18 -11.049 -1.476 -4.535 1.00 43.54 C ATOM 261 CG2 VAL A 18 -11.113 -0.584 -2.179 1.00 51.40 C ATOM 0 H VAL A 18 -8.619 -0.919 -2.704 1.00 41.31 H new ATOM 0 HA VAL A 18 -9.491 0.723 -4.964 1.00 32.53 H new ATOM 0 HB VAL A 18 -11.753 0.445 -3.939 1.00 34.31 H new ATOM 0 HG11 VAL A 18 -12.000 -1.974 -4.346 1.00 43.54 H new ATOM 0 HG12 VAL A 18 -10.992 -1.189 -5.585 1.00 43.54 H new ATOM 0 HG13 VAL A 18 -10.230 -2.156 -4.300 1.00 43.54 H new ATOM 0 HG21 VAL A 18 -12.062 -1.100 -2.034 1.00 51.40 H new ATOM 0 HG22 VAL A 18 -10.296 -1.233 -1.865 1.00 51.40 H new ATOM 0 HG23 VAL A 18 -11.101 0.329 -1.583 1.00 51.40 H new ATOM 271 N ASP A 19 -8.562 2.059 -2.330 1.00 70.21 N ATOM 272 CA ASP A 19 -8.456 3.256 -1.491 1.00 14.24 C ATOM 273 C ASP A 19 -6.991 3.724 -1.417 1.00 54.12 C ATOM 274 O ASP A 19 -6.069 2.945 -1.675 1.00 11.25 O ATOM 275 CB ASP A 19 -8.999 2.948 -0.086 1.00 54.42 C ATOM 276 CG ASP A 19 -9.433 4.192 0.673 1.00 4.14 C ATOM 277 OD1 ASP A 19 -8.581 4.844 1.312 1.00 50.15 O ATOM 278 OD2 ASP A 19 -10.638 4.515 0.649 1.00 55.13 O ATOM 0 H ASP A 19 -7.764 1.428 -2.257 1.00 70.21 H new ATOM 0 HA ASP A 19 -9.048 4.059 -1.930 1.00 14.24 H new ATOM 0 HB2 ASP A 19 -9.847 2.268 -0.172 1.00 54.42 H new ATOM 0 HB3 ASP A 19 -8.231 2.429 0.488 1.00 54.42 H new ATOM 283 N THR A 20 -6.777 4.983 -1.041 1.00 41.13 N ATOM 284 CA THR A 20 -5.432 5.578 -1.048 1.00 74.13 C ATOM 285 C THR A 20 -4.609 5.159 0.182 1.00 71.51 C ATOM 286 O THR A 20 -5.052 5.312 1.322 1.00 64.22 O ATOM 287 CB THR A 20 -5.497 7.125 -1.104 1.00 32.05 C ATOM 288 OG1 THR A 20 -6.285 7.630 -0.012 1.00 51.25 O ATOM 289 CG2 THR A 20 -6.094 7.600 -2.427 1.00 35.24 C ATOM 0 H THR A 20 -7.514 5.615 -0.727 1.00 41.13 H new ATOM 0 HA THR A 20 -4.940 5.203 -1.945 1.00 74.13 H new ATOM 0 HB THR A 20 -4.479 7.507 -1.024 1.00 32.05 H new ATOM 0 HG1 THR A 20 -6.144 7.070 0.780 1.00 51.25 H new ATOM 0 HG21 THR A 20 -6.128 8.689 -2.440 1.00 35.24 H new ATOM 0 HG22 THR A 20 -5.477 7.246 -3.253 1.00 35.24 H new ATOM 0 HG23 THR A 20 -7.104 7.204 -2.534 1.00 35.24 H new ATOM 297 N PRO A 21 -3.386 4.632 -0.029 1.00 31.24 N ATOM 298 CA PRO A 21 -2.518 4.182 1.074 1.00 61.23 C ATOM 299 C PRO A 21 -2.079 5.333 2.001 1.00 40.33 C ATOM 300 O PRO A 21 -1.341 6.235 1.594 1.00 3.35 O ATOM 301 CB PRO A 21 -1.307 3.568 0.356 1.00 55.44 C ATOM 302 CG PRO A 21 -1.308 4.191 -0.999 1.00 32.23 C ATOM 303 CD PRO A 21 -2.754 4.427 -1.345 1.00 44.25 C ATOM 0 HA PRO A 21 -3.036 3.484 1.732 1.00 61.23 H new ATOM 0 HB2 PRO A 21 -0.381 3.783 0.889 1.00 55.44 H new ATOM 0 HB3 PRO A 21 -1.394 2.483 0.292 1.00 55.44 H new ATOM 0 HG2 PRO A 21 -0.749 5.127 -0.999 1.00 32.23 H new ATOM 0 HG3 PRO A 21 -0.834 3.536 -1.730 1.00 32.23 H new ATOM 0 HD2 PRO A 21 -2.877 5.297 -1.991 1.00 44.25 H new ATOM 0 HD3 PRO A 21 -3.186 3.576 -1.871 1.00 44.25 H new ATOM 311 N LYS A 22 -2.548 5.291 3.245 1.00 73.23 N ATOM 312 CA LYS A 22 -2.184 6.284 4.262 1.00 13.12 C ATOM 313 C LYS A 22 -0.885 5.894 4.980 1.00 30.32 C ATOM 314 O LYS A 22 -0.768 4.790 5.505 1.00 41.11 O ATOM 315 CB LYS A 22 -3.319 6.403 5.295 1.00 2.11 C ATOM 316 CG LYS A 22 -2.939 7.172 6.563 1.00 5.52 C ATOM 317 CD LYS A 22 -4.047 7.120 7.616 1.00 51.32 C ATOM 318 CE LYS A 22 -3.591 7.699 8.955 1.00 62.00 C ATOM 319 NZ LYS A 22 -2.456 6.932 9.534 1.00 71.35 N ATOM 0 H LYS A 22 -3.189 4.572 3.580 1.00 73.23 H new ATOM 0 HA LYS A 22 -2.028 7.240 3.763 1.00 13.12 H new ATOM 0 HB2 LYS A 22 -4.171 6.896 4.826 1.00 2.11 H new ATOM 0 HB3 LYS A 22 -3.646 5.402 5.576 1.00 2.11 H new ATOM 0 HG2 LYS A 22 -2.022 6.754 6.980 1.00 5.52 H new ATOM 0 HG3 LYS A 22 -2.729 8.211 6.308 1.00 5.52 H new ATOM 0 HD2 LYS A 22 -4.914 7.675 7.258 1.00 51.32 H new ATOM 0 HD3 LYS A 22 -4.365 6.087 7.757 1.00 51.32 H new ATOM 0 HE2 LYS A 22 -3.294 8.739 8.818 1.00 62.00 H new ATOM 0 HE3 LYS A 22 -4.426 7.695 9.655 1.00 62.00 H new ATOM 0 HZ1 LYS A 22 -2.287 7.246 10.511 1.00 71.35 H new ATOM 0 HZ2 LYS A 22 -2.685 5.918 9.531 1.00 71.35 H new ATOM 0 HZ3 LYS A 22 -1.601 7.095 8.965 1.00 71.35 H new ATOM 333 N TYR A 23 0.090 6.798 5.010 1.00 20.53 N ATOM 334 CA TYR A 23 1.303 6.565 5.793 1.00 74.54 C ATOM 335 C TYR A 23 1.062 6.926 7.259 1.00 62.33 C ATOM 336 O TYR A 23 0.593 8.020 7.572 1.00 65.20 O ATOM 337 CB TYR A 23 2.493 7.371 5.251 1.00 21.14 C ATOM 338 CG TYR A 23 3.737 7.250 6.122 1.00 22.24 C ATOM 339 CD1 TYR A 23 4.232 5.999 6.488 1.00 21.54 C ATOM 340 CD2 TYR A 23 4.402 8.380 6.595 1.00 33.03 C ATOM 341 CE1 TYR A 23 5.347 5.880 7.290 1.00 4.31 C ATOM 342 CE2 TYR A 23 5.524 8.263 7.397 1.00 10.51 C ATOM 343 CZ TYR A 23 5.989 7.011 7.744 1.00 32.23 C ATOM 344 OH TYR A 23 7.106 6.888 8.542 1.00 31.15 O ATOM 0 H TYR A 23 0.067 7.687 4.510 1.00 20.53 H new ATOM 0 HA TYR A 23 1.547 5.506 5.712 1.00 74.54 H new ATOM 0 HB2 TYR A 23 2.727 7.030 4.243 1.00 21.14 H new ATOM 0 HB3 TYR A 23 2.210 8.421 5.175 1.00 21.14 H new ATOM 0 HD1 TYR A 23 3.733 5.108 6.137 1.00 21.54 H new ATOM 0 HD2 TYR A 23 4.036 9.362 6.332 1.00 33.03 H new ATOM 0 HE1 TYR A 23 5.716 4.902 7.562 1.00 4.31 H new ATOM 0 HE2 TYR A 23 6.033 9.148 7.750 1.00 10.51 H new ATOM 0 HH TYR A 23 7.441 7.779 8.776 1.00 31.15 H new ATOM 354 N ASP A 24 1.371 6.002 8.153 1.00 65.23 N ATOM 355 CA ASP A 24 1.193 6.230 9.582 1.00 4.52 C ATOM 356 C ASP A 24 2.548 6.250 10.305 1.00 11.24 C ATOM 357 O ASP A 24 3.112 5.203 10.611 1.00 2.22 O ATOM 358 CB ASP A 24 0.277 5.148 10.163 1.00 20.31 C ATOM 359 CG ASP A 24 -0.159 5.462 11.579 1.00 63.13 C ATOM 360 OD1 ASP A 24 -0.922 6.431 11.763 1.00 64.31 O ATOM 361 OD2 ASP A 24 0.245 4.733 12.506 1.00 73.34 O ATOM 0 H ASP A 24 1.747 5.084 7.916 1.00 65.23 H new ATOM 0 HA ASP A 24 0.727 7.204 9.731 1.00 4.52 H new ATOM 0 HB2 ASP A 24 -0.604 5.042 9.529 1.00 20.31 H new ATOM 0 HB3 ASP A 24 0.796 4.190 10.149 1.00 20.31 H new ATOM 366 N GLU A 25 3.070 7.452 10.560 1.00 15.52 N ATOM 367 CA GLU A 25 4.369 7.626 11.234 1.00 24.10 C ATOM 368 C GLU A 25 4.401 6.959 12.622 1.00 33.12 C ATOM 369 O GLU A 25 5.460 6.558 13.110 1.00 61.53 O ATOM 370 CB GLU A 25 4.668 9.125 11.376 1.00 75.11 C ATOM 371 CG GLU A 25 5.972 9.442 12.105 1.00 13.23 C ATOM 372 CD GLU A 25 6.126 10.928 12.394 1.00 43.55 C ATOM 373 OE1 GLU A 25 5.655 11.386 13.459 1.00 5.32 O ATOM 374 OE2 GLU A 25 6.700 11.649 11.551 1.00 72.42 O ATOM 0 H GLU A 25 2.613 8.329 10.309 1.00 15.52 H new ATOM 0 HA GLU A 25 5.129 7.140 10.622 1.00 24.10 H new ATOM 0 HB2 GLU A 25 4.704 9.572 10.382 1.00 75.11 H new ATOM 0 HB3 GLU A 25 3.844 9.599 11.909 1.00 75.11 H new ATOM 0 HG2 GLU A 25 6.006 8.887 13.042 1.00 13.23 H new ATOM 0 HG3 GLU A 25 6.814 9.102 11.502 1.00 13.23 H new ATOM 381 N GLU A 26 3.233 6.845 13.246 1.00 51.35 N ATOM 382 CA GLU A 26 3.118 6.290 14.599 1.00 52.42 C ATOM 383 C GLU A 26 3.439 4.787 14.631 1.00 32.14 C ATOM 384 O GLU A 26 4.200 4.320 15.481 1.00 12.31 O ATOM 385 CB GLU A 26 1.706 6.547 15.144 1.00 14.33 C ATOM 386 CG GLU A 26 1.287 8.015 15.093 1.00 21.44 C ATOM 387 CD GLU A 26 2.198 8.920 15.911 1.00 43.33 C ATOM 388 OE1 GLU A 26 1.985 9.033 17.135 1.00 70.42 O ATOM 389 OE2 GLU A 26 3.136 9.512 15.335 1.00 70.53 O ATOM 0 H GLU A 26 2.344 7.131 12.836 1.00 51.35 H new ATOM 0 HA GLU A 26 3.851 6.790 15.232 1.00 52.42 H new ATOM 0 HB2 GLU A 26 0.992 5.954 14.572 1.00 14.33 H new ATOM 0 HB3 GLU A 26 1.655 6.199 16.176 1.00 14.33 H new ATOM 0 HG2 GLU A 26 1.285 8.351 14.056 1.00 21.44 H new ATOM 0 HG3 GLU A 26 0.265 8.109 15.460 1.00 21.44 H new ATOM 396 N SER A 27 2.848 4.034 13.707 1.00 21.14 N ATOM 397 CA SER A 27 3.101 2.586 13.608 1.00 4.32 C ATOM 398 C SER A 27 4.276 2.279 12.668 1.00 33.41 C ATOM 399 O SER A 27 4.959 1.268 12.826 1.00 63.21 O ATOM 400 CB SER A 27 1.850 1.861 13.097 1.00 22.31 C ATOM 401 OG SER A 27 1.531 2.258 11.770 1.00 24.22 O ATOM 0 H SER A 27 2.191 4.394 13.015 1.00 21.14 H new ATOM 0 HA SER A 27 3.354 2.233 14.608 1.00 4.32 H new ATOM 0 HB2 SER A 27 2.013 0.784 13.128 1.00 22.31 H new ATOM 0 HB3 SER A 27 1.008 2.075 13.756 1.00 22.31 H new ATOM 0 HG SER A 27 0.942 3.041 11.795 1.00 24.22 H new ATOM 407 N GLY A 28 4.507 3.161 11.698 1.00 73.41 N ATOM 408 CA GLY A 28 5.557 2.946 10.703 1.00 52.51 C ATOM 409 C GLY A 28 5.081 2.148 9.488 1.00 43.43 C ATOM 410 O GLY A 28 5.888 1.732 8.654 1.00 4.15 O ATOM 0 H GLY A 28 3.984 4.028 11.579 1.00 73.41 H new ATOM 0 HA2 GLY A 28 5.936 3.912 10.369 1.00 52.51 H new ATOM 0 HA3 GLY A 28 6.390 2.421 11.171 1.00 52.51 H new ATOM 414 N PHE A 29 3.769 1.940 9.381 1.00 14.54 N ATOM 415 CA PHE A 29 3.192 1.149 8.285 1.00 51.15 C ATOM 416 C PHE A 29 2.317 2.004 7.348 1.00 22.41 C ATOM 417 O PHE A 29 1.956 3.141 7.666 1.00 63.50 O ATOM 418 CB PHE A 29 2.343 -0.002 8.849 1.00 54.51 C ATOM 419 CG PHE A 29 3.092 -0.932 9.773 1.00 13.33 C ATOM 420 CD1 PHE A 29 3.991 -1.859 9.270 1.00 24.41 C ATOM 421 CD2 PHE A 29 2.888 -0.885 11.145 1.00 55.22 C ATOM 422 CE1 PHE A 29 4.672 -2.715 10.112 1.00 61.21 C ATOM 423 CE2 PHE A 29 3.567 -1.739 11.992 1.00 44.22 C ATOM 424 CZ PHE A 29 4.459 -2.656 11.474 1.00 11.02 C ATOM 0 H PHE A 29 3.082 2.307 10.039 1.00 14.54 H new ATOM 0 HA PHE A 29 4.027 0.754 7.706 1.00 51.15 H new ATOM 0 HB2 PHE A 29 1.493 0.419 9.387 1.00 54.51 H new ATOM 0 HB3 PHE A 29 1.940 -0.581 8.018 1.00 54.51 H new ATOM 0 HD1 PHE A 29 4.161 -1.912 8.205 1.00 24.41 H new ATOM 0 HD2 PHE A 29 2.189 -0.171 11.556 1.00 55.22 H new ATOM 0 HE1 PHE A 29 5.371 -3.430 9.705 1.00 61.21 H new ATOM 0 HE2 PHE A 29 3.400 -1.689 13.058 1.00 44.22 H new ATOM 0 HZ PHE A 29 4.990 -3.326 12.134 1.00 11.02 H new ATOM 434 N TYR A 30 1.993 1.441 6.183 1.00 11.02 N ATOM 435 CA TYR A 30 1.014 2.033 5.262 1.00 41.52 C ATOM 436 C TYR A 30 -0.340 1.314 5.365 1.00 72.44 C ATOM 437 O TYR A 30 -0.410 0.087 5.285 1.00 11.34 O ATOM 438 CB TYR A 30 1.518 1.974 3.808 1.00 72.41 C ATOM 439 CG TYR A 30 2.496 3.078 3.443 1.00 23.43 C ATOM 440 CD1 TYR A 30 3.833 3.018 3.820 1.00 40.12 C ATOM 441 CD2 TYR A 30 2.071 4.184 2.712 1.00 21.02 C ATOM 442 CE1 TYR A 30 4.715 4.029 3.479 1.00 40.04 C ATOM 443 CE2 TYR A 30 2.946 5.195 2.368 1.00 74.13 C ATOM 444 CZ TYR A 30 4.267 5.115 2.754 1.00 35.33 C ATOM 445 OH TYR A 30 5.141 6.128 2.417 1.00 20.34 O ATOM 0 H TYR A 30 2.398 0.566 5.850 1.00 11.02 H new ATOM 0 HA TYR A 30 0.885 3.077 5.549 1.00 41.52 H new ATOM 0 HB2 TYR A 30 1.997 1.009 3.640 1.00 72.41 H new ATOM 0 HB3 TYR A 30 0.661 2.026 3.136 1.00 72.41 H new ATOM 0 HD1 TYR A 30 4.189 2.170 4.387 1.00 40.12 H new ATOM 0 HD2 TYR A 30 1.037 4.252 2.408 1.00 21.02 H new ATOM 0 HE1 TYR A 30 5.751 3.968 3.779 1.00 40.04 H new ATOM 0 HE2 TYR A 30 2.597 6.044 1.799 1.00 74.13 H new ATOM 0 HH TYR A 30 4.664 6.815 1.906 1.00 20.34 H new ATOM 455 N GLU A 31 -1.407 2.090 5.535 1.00 10.51 N ATOM 456 CA GLU A 31 -2.766 1.552 5.642 1.00 65.23 C ATOM 457 C GLU A 31 -3.504 1.670 4.299 1.00 45.51 C ATOM 458 O GLU A 31 -3.699 2.773 3.786 1.00 31.33 O ATOM 459 CB GLU A 31 -3.535 2.319 6.732 1.00 54.22 C ATOM 460 CG GLU A 31 -2.844 2.299 8.095 1.00 42.32 C ATOM 461 CD GLU A 31 -3.545 3.156 9.140 1.00 43.14 C ATOM 462 OE1 GLU A 31 -4.638 2.772 9.601 1.00 4.53 O ATOM 463 OE2 GLU A 31 -2.990 4.205 9.533 1.00 55.33 O ATOM 0 H GLU A 31 -1.358 3.107 5.603 1.00 10.51 H new ATOM 0 HA GLU A 31 -2.707 0.497 5.909 1.00 65.23 H new ATOM 0 HB2 GLU A 31 -3.664 3.354 6.414 1.00 54.22 H new ATOM 0 HB3 GLU A 31 -4.532 1.890 6.833 1.00 54.22 H new ATOM 0 HG2 GLU A 31 -2.793 1.271 8.453 1.00 42.32 H new ATOM 0 HG3 GLU A 31 -1.818 2.647 7.979 1.00 42.32 H new ATOM 470 N PHE A 32 -3.914 0.537 3.733 1.00 33.24 N ATOM 471 CA PHE A 32 -4.595 0.528 2.431 1.00 54.23 C ATOM 472 C PHE A 32 -5.643 -0.590 2.344 1.00 72.41 C ATOM 473 O PHE A 32 -5.531 -1.615 3.016 1.00 3.42 O ATOM 474 CB PHE A 32 -3.571 0.369 1.297 1.00 30.02 C ATOM 475 CG PHE A 32 -2.743 -0.888 1.401 1.00 32.34 C ATOM 476 CD1 PHE A 32 -1.652 -0.947 2.258 1.00 42.41 C ATOM 477 CD2 PHE A 32 -3.053 -2.009 0.642 1.00 45.42 C ATOM 478 CE1 PHE A 32 -0.892 -2.094 2.357 1.00 10.21 C ATOM 479 CE2 PHE A 32 -2.295 -3.159 0.739 1.00 12.41 C ATOM 480 CZ PHE A 32 -1.212 -3.201 1.597 1.00 74.23 C ATOM 0 H PHE A 32 -3.789 -0.386 4.150 1.00 33.24 H new ATOM 0 HA PHE A 32 -5.112 1.482 2.326 1.00 54.23 H new ATOM 0 HB2 PHE A 32 -4.096 0.370 0.342 1.00 30.02 H new ATOM 0 HB3 PHE A 32 -2.906 1.233 1.296 1.00 30.02 H new ATOM 0 HD1 PHE A 32 -1.395 -0.084 2.855 1.00 42.41 H new ATOM 0 HD2 PHE A 32 -3.897 -1.981 -0.032 1.00 45.42 H new ATOM 0 HE1 PHE A 32 -0.047 -2.126 3.029 1.00 10.21 H new ATOM 0 HE2 PHE A 32 -2.548 -4.025 0.145 1.00 12.41 H new ATOM 0 HZ PHE A 32 -0.617 -4.099 1.673 1.00 74.23 H new ATOM 490 N LYS A 33 -6.656 -0.389 1.504 1.00 11.15 N ATOM 491 CA LYS A 33 -7.729 -1.374 1.329 1.00 34.15 C ATOM 492 C LYS A 33 -7.651 -2.042 -0.050 1.00 71.01 C ATOM 493 O LYS A 33 -7.926 -1.412 -1.070 1.00 13.04 O ATOM 494 CB LYS A 33 -9.091 -0.692 1.515 1.00 53.31 C ATOM 495 CG LYS A 33 -10.284 -1.634 1.379 1.00 20.41 C ATOM 496 CD LYS A 33 -11.602 -0.920 1.671 1.00 54.31 C ATOM 497 CE LYS A 33 -11.684 -0.462 3.124 1.00 40.31 C ATOM 498 NZ LYS A 33 -12.910 0.334 3.396 1.00 41.31 N ATOM 0 H LYS A 33 -6.759 0.448 0.931 1.00 11.15 H new ATOM 0 HA LYS A 33 -7.608 -2.153 2.082 1.00 34.15 H new ATOM 0 HB2 LYS A 33 -9.120 -0.226 2.500 1.00 53.31 H new ATOM 0 HB3 LYS A 33 -9.188 0.108 0.781 1.00 53.31 H new ATOM 0 HG2 LYS A 33 -10.309 -2.047 0.370 1.00 20.41 H new ATOM 0 HG3 LYS A 33 -10.165 -2.473 2.064 1.00 20.41 H new ATOM 0 HD2 LYS A 33 -11.703 -0.058 1.011 1.00 54.31 H new ATOM 0 HD3 LYS A 33 -12.435 -1.589 1.452 1.00 54.31 H new ATOM 0 HE2 LYS A 33 -11.666 -1.333 3.779 1.00 40.31 H new ATOM 0 HE3 LYS A 33 -10.805 0.135 3.365 1.00 40.31 H new ATOM 0 HZ1 LYS A 33 -12.922 0.623 4.395 1.00 41.31 H new ATOM 0 HZ2 LYS A 33 -12.916 1.180 2.791 1.00 41.31 H new ATOM 0 HZ3 LYS A 33 -13.751 -0.243 3.193 1.00 41.31 H new ATOM 512 N GLN A 34 -7.280 -3.324 -0.067 1.00 51.23 N ATOM 513 CA GLN A 34 -7.122 -4.088 -1.316 1.00 14.23 C ATOM 514 C GLN A 34 -8.439 -4.203 -2.105 1.00 22.04 C ATOM 515 O GLN A 34 -9.514 -3.890 -1.590 1.00 44.51 O ATOM 516 CB GLN A 34 -6.601 -5.499 -1.008 1.00 41.33 C ATOM 517 CG GLN A 34 -5.239 -5.537 -0.323 1.00 71.32 C ATOM 518 CD GLN A 34 -4.756 -6.961 -0.078 1.00 24.22 C ATOM 519 OE1 GLN A 34 -4.085 -7.556 -0.916 1.00 2.33 O ATOM 520 NE2 GLN A 34 -5.107 -7.521 1.065 1.00 73.41 N ATOM 0 H GLN A 34 -7.081 -3.863 0.776 1.00 51.23 H new ATOM 0 HA GLN A 34 -6.406 -3.543 -1.932 1.00 14.23 H new ATOM 0 HB2 GLN A 34 -7.326 -6.010 -0.374 1.00 41.33 H new ATOM 0 HB3 GLN A 34 -6.540 -6.061 -1.940 1.00 41.33 H new ATOM 0 HG2 GLN A 34 -4.510 -5.009 -0.938 1.00 71.32 H new ATOM 0 HG3 GLN A 34 -5.298 -5.007 0.628 1.00 71.32 H new ATOM 0 HE21 GLN A 34 -5.665 -6.997 1.739 1.00 73.41 H new ATOM 0 HE22 GLN A 34 -4.820 -8.477 1.274 1.00 73.41 H new ATOM 529 N LEU A 35 -8.343 -4.674 -3.354 1.00 43.21 N ATOM 530 CA LEU A 35 -9.529 -4.908 -4.199 1.00 12.20 C ATOM 531 C LEU A 35 -10.547 -5.830 -3.513 1.00 34.11 C ATOM 532 O LEU A 35 -11.753 -5.701 -3.716 1.00 45.50 O ATOM 533 CB LEU A 35 -9.127 -5.530 -5.546 1.00 10.10 C ATOM 534 CG LEU A 35 -8.205 -4.680 -6.433 1.00 70.14 C ATOM 535 CD1 LEU A 35 -7.934 -5.394 -7.756 1.00 33.52 C ATOM 536 CD2 LEU A 35 -8.803 -3.293 -6.677 1.00 75.12 C ATOM 0 H LEU A 35 -7.457 -4.902 -3.806 1.00 43.21 H new ATOM 0 HA LEU A 35 -9.992 -3.935 -4.364 1.00 12.20 H new ATOM 0 HB2 LEU A 35 -8.634 -6.482 -5.351 1.00 10.10 H new ATOM 0 HB3 LEU A 35 -10.035 -5.751 -6.107 1.00 10.10 H new ATOM 0 HG LEU A 35 -7.257 -4.547 -5.911 1.00 70.14 H new ATOM 0 HD11 LEU A 35 -7.279 -4.779 -8.374 1.00 33.52 H new ATOM 0 HD12 LEU A 35 -7.454 -6.353 -7.560 1.00 33.52 H new ATOM 0 HD13 LEU A 35 -8.876 -5.560 -8.279 1.00 33.52 H new ATOM 0 HD21 LEU A 35 -8.130 -2.712 -7.308 1.00 75.12 H new ATOM 0 HD22 LEU A 35 -9.768 -3.395 -7.174 1.00 75.12 H new ATOM 0 HD23 LEU A 35 -8.938 -2.782 -5.724 1.00 75.12 H new ATOM 548 N ASP A 36 -10.052 -6.762 -2.705 1.00 53.14 N ATOM 549 CA ASP A 36 -10.910 -7.728 -2.013 1.00 3.20 C ATOM 550 C ASP A 36 -11.703 -7.073 -0.861 1.00 44.22 C ATOM 551 O ASP A 36 -12.634 -7.667 -0.318 1.00 30.40 O ATOM 552 CB ASP A 36 -10.044 -8.877 -1.484 1.00 72.40 C ATOM 553 CG ASP A 36 -10.869 -10.008 -0.899 1.00 31.24 C ATOM 554 OD1 ASP A 36 -11.383 -10.835 -1.682 1.00 22.11 O ATOM 555 OD2 ASP A 36 -11.011 -10.074 0.339 1.00 62.10 O ATOM 0 H ASP A 36 -9.057 -6.872 -2.510 1.00 53.14 H new ATOM 0 HA ASP A 36 -11.642 -8.111 -2.724 1.00 3.20 H new ATOM 0 HB2 ASP A 36 -9.426 -9.264 -2.294 1.00 72.40 H new ATOM 0 HB3 ASP A 36 -9.366 -8.495 -0.721 1.00 72.40 H new ATOM 560 N GLY A 37 -11.336 -5.843 -0.503 1.00 62.21 N ATOM 561 CA GLY A 37 -11.988 -5.152 0.609 1.00 44.13 C ATOM 562 C GLY A 37 -11.181 -5.219 1.905 1.00 4.21 C ATOM 563 O GLY A 37 -11.496 -4.538 2.882 1.00 73.42 O ATOM 0 H GLY A 37 -10.598 -5.309 -0.962 1.00 62.21 H new ATOM 0 HA2 GLY A 37 -12.146 -4.108 0.339 1.00 44.13 H new ATOM 0 HA3 GLY A 37 -12.972 -5.591 0.776 1.00 44.13 H new ATOM 567 N LYS A 38 -10.145 -6.053 1.914 1.00 65.21 N ATOM 568 CA LYS A 38 -9.259 -6.190 3.076 1.00 44.52 C ATOM 569 C LYS A 38 -8.348 -4.962 3.245 1.00 12.42 C ATOM 570 O LYS A 38 -7.464 -4.718 2.420 1.00 1.50 O ATOM 571 CB LYS A 38 -8.385 -7.449 2.935 1.00 23.32 C ATOM 572 CG LYS A 38 -9.148 -8.764 3.032 1.00 52.03 C ATOM 573 CD LYS A 38 -8.217 -9.960 2.829 1.00 22.25 C ATOM 574 CE LYS A 38 -8.908 -11.283 3.129 1.00 70.21 C ATOM 575 NZ LYS A 38 -10.127 -11.477 2.307 1.00 0.35 N ATOM 0 H LYS A 38 -9.894 -6.650 1.126 1.00 65.21 H new ATOM 0 HA LYS A 38 -9.894 -6.274 3.958 1.00 44.52 H new ATOM 0 HB2 LYS A 38 -7.870 -7.413 1.975 1.00 23.32 H new ATOM 0 HB3 LYS A 38 -7.618 -7.431 3.709 1.00 23.32 H new ATOM 0 HG2 LYS A 38 -9.630 -8.837 4.007 1.00 52.03 H new ATOM 0 HG3 LYS A 38 -9.939 -8.784 2.283 1.00 52.03 H new ATOM 0 HD2 LYS A 38 -7.855 -9.966 1.801 1.00 22.25 H new ATOM 0 HD3 LYS A 38 -7.345 -9.853 3.474 1.00 22.25 H new ATOM 0 HE2 LYS A 38 -8.214 -12.103 2.946 1.00 70.21 H new ATOM 0 HE3 LYS A 38 -9.174 -11.321 4.185 1.00 70.21 H new ATOM 0 HZ1 LYS A 38 -10.083 -12.402 1.833 1.00 0.35 H new ATOM 0 HZ2 LYS A 38 -10.967 -11.441 2.919 1.00 0.35 H new ATOM 0 HZ3 LYS A 38 -10.187 -10.724 1.592 1.00 0.35 H new ATOM 589 N GLN A 39 -8.566 -4.188 4.307 1.00 61.51 N ATOM 590 CA GLN A 39 -7.673 -3.072 4.637 1.00 13.43 C ATOM 591 C GLN A 39 -6.524 -3.550 5.538 1.00 61.14 C ATOM 592 O GLN A 39 -6.714 -3.824 6.724 1.00 72.21 O ATOM 593 CB GLN A 39 -8.449 -1.923 5.303 1.00 3.32 C ATOM 594 CG GLN A 39 -7.581 -0.714 5.652 1.00 34.22 C ATOM 595 CD GLN A 39 -8.388 0.494 6.099 1.00 1.21 C ATOM 596 OE1 GLN A 39 -9.469 0.365 6.663 1.00 23.42 O ATOM 597 NE2 GLN A 39 -7.867 1.680 5.854 1.00 74.13 N ATOM 0 H GLN A 39 -9.347 -4.310 4.952 1.00 61.51 H new ATOM 0 HA GLN A 39 -7.246 -2.692 3.709 1.00 13.43 H new ATOM 0 HB2 GLN A 39 -9.250 -1.603 4.636 1.00 3.32 H new ATOM 0 HB3 GLN A 39 -8.921 -2.295 6.213 1.00 3.32 H new ATOM 0 HG2 GLN A 39 -6.885 -0.991 6.444 1.00 34.22 H new ATOM 0 HG3 GLN A 39 -6.983 -0.442 4.783 1.00 34.22 H new ATOM 0 HE21 GLN A 39 -6.965 1.753 5.383 1.00 74.13 H new ATOM 0 HE22 GLN A 39 -8.366 2.524 6.136 1.00 74.13 H new ATOM 606 N THR A 40 -5.331 -3.654 4.961 1.00 34.02 N ATOM 607 CA THR A 40 -4.165 -4.206 5.664 1.00 11.24 C ATOM 608 C THR A 40 -2.989 -3.222 5.670 1.00 33.52 C ATOM 609 O THR A 40 -3.003 -2.214 4.956 1.00 43.24 O ATOM 610 CB THR A 40 -3.710 -5.552 5.045 1.00 33.05 C ATOM 611 OG1 THR A 40 -2.589 -6.082 5.772 1.00 64.23 O ATOM 612 CG2 THR A 40 -3.338 -5.393 3.573 1.00 24.12 C ATOM 0 H THR A 40 -5.140 -3.363 4.002 1.00 34.02 H new ATOM 0 HA THR A 40 -4.479 -4.381 6.693 1.00 11.24 H new ATOM 0 HB THR A 40 -4.548 -6.245 5.113 1.00 33.05 H new ATOM 0 HG1 THR A 40 -2.312 -6.933 5.372 1.00 64.23 H new ATOM 0 HG21 THR A 40 -3.024 -6.356 3.171 1.00 24.12 H new ATOM 0 HG22 THR A 40 -4.203 -5.032 3.016 1.00 24.12 H new ATOM 0 HG23 THR A 40 -2.522 -4.677 3.479 1.00 24.12 H new ATOM 620 N ARG A 41 -1.984 -3.508 6.494 1.00 52.13 N ATOM 621 CA ARG A 41 -0.840 -2.608 6.674 1.00 22.54 C ATOM 622 C ARG A 41 0.495 -3.296 6.332 1.00 33.01 C ATOM 623 O ARG A 41 0.732 -4.444 6.712 1.00 75.45 O ATOM 624 CB ARG A 41 -0.814 -2.097 8.120 1.00 1.23 C ATOM 625 CG ARG A 41 -2.017 -1.232 8.477 1.00 43.34 C ATOM 626 CD ARG A 41 -2.056 -0.892 9.963 1.00 62.32 C ATOM 627 NE ARG A 41 -2.380 -2.057 10.787 1.00 65.22 N ATOM 628 CZ ARG A 41 -2.101 -2.158 12.060 1.00 43.43 C ATOM 629 NH1 ARG A 41 -1.463 -1.214 12.675 1.00 54.42 N ATOM 630 NH2 ARG A 41 -2.455 -3.211 12.722 1.00 2.12 N ATOM 0 H ARG A 41 -1.936 -4.360 7.052 1.00 52.13 H new ATOM 0 HA ARG A 41 -0.959 -1.771 5.986 1.00 22.54 H new ATOM 0 HB2 ARG A 41 -0.774 -2.949 8.798 1.00 1.23 H new ATOM 0 HB3 ARG A 41 0.098 -1.521 8.278 1.00 1.23 H new ATOM 0 HG2 ARG A 41 -1.986 -0.311 7.895 1.00 43.34 H new ATOM 0 HG3 ARG A 41 -2.933 -1.754 8.200 1.00 43.34 H new ATOM 0 HD2 ARG A 41 -1.090 -0.491 10.268 1.00 62.32 H new ATOM 0 HD3 ARG A 41 -2.795 -0.110 10.136 1.00 62.32 H new ATOM 0 HE ARG A 41 -2.854 -2.841 10.339 1.00 65.22 H new ATOM 0 HH11 ARG A 41 -1.172 -0.379 12.166 1.00 54.42 H new ATOM 0 HH12 ARG A 41 -1.251 -1.305 13.669 1.00 54.42 H new ATOM 0 HH21 ARG A 41 -2.953 -3.966 12.251 1.00 2.12 H new ATOM 0 HH22 ARG A 41 -2.236 -3.287 13.715 1.00 2.12 H new ATOM 644 N ILE A 42 1.365 -2.582 5.617 1.00 25.54 N ATOM 645 CA ILE A 42 2.693 -3.104 5.257 1.00 54.03 C ATOM 646 C ILE A 42 3.798 -2.105 5.652 1.00 21.31 C ATOM 647 O ILE A 42 3.565 -0.895 5.683 1.00 41.42 O ATOM 648 CB ILE A 42 2.777 -3.416 3.737 1.00 71.44 C ATOM 649 CG1 ILE A 42 4.085 -4.156 3.406 1.00 15.53 C ATOM 650 CG2 ILE A 42 2.654 -2.134 2.909 1.00 3.04 C ATOM 651 CD1 ILE A 42 4.186 -4.608 1.965 1.00 71.43 C ATOM 0 H ILE A 42 1.178 -1.640 5.273 1.00 25.54 H new ATOM 0 HA ILE A 42 2.845 -4.032 5.809 1.00 54.03 H new ATOM 0 HB ILE A 42 1.942 -4.066 3.478 1.00 71.44 H new ATOM 0 HG12 ILE A 42 4.928 -3.503 3.631 1.00 15.53 H new ATOM 0 HG13 ILE A 42 4.173 -5.026 4.057 1.00 15.53 H new ATOM 0 HG21 ILE A 42 2.716 -2.378 1.849 1.00 3.04 H new ATOM 0 HG22 ILE A 42 1.696 -1.657 3.116 1.00 3.04 H new ATOM 0 HG23 ILE A 42 3.463 -1.452 3.172 1.00 3.04 H new ATOM 0 HD11 ILE A 42 5.135 -5.121 1.810 1.00 71.43 H new ATOM 0 HD12 ILE A 42 3.365 -5.288 1.739 1.00 71.43 H new ATOM 0 HD13 ILE A 42 4.131 -3.741 1.307 1.00 71.43 H new ATOM 663 N ASN A 43 4.996 -2.613 5.955 1.00 24.22 N ATOM 664 CA ASN A 43 6.097 -1.763 6.436 1.00 33.11 C ATOM 665 C ASN A 43 6.560 -0.766 5.358 1.00 73.21 C ATOM 666 O ASN A 43 6.644 -1.097 4.171 1.00 53.04 O ATOM 667 CB ASN A 43 7.270 -2.630 6.913 1.00 10.13 C ATOM 668 CG ASN A 43 8.266 -1.850 7.755 1.00 3.45 C ATOM 669 OD1 ASN A 43 7.912 -0.891 8.433 1.00 14.31 O ATOM 670 ND2 ASN A 43 9.519 -2.242 7.712 1.00 61.21 N ATOM 0 H ASN A 43 5.231 -3.603 5.878 1.00 24.22 H new ATOM 0 HA ASN A 43 5.724 -1.181 7.279 1.00 33.11 H new ATOM 0 HB2 ASN A 43 6.885 -3.468 7.494 1.00 10.13 H new ATOM 0 HB3 ASN A 43 7.782 -3.051 6.048 1.00 10.13 H new ATOM 0 HD21 ASN A 43 10.228 -1.745 8.252 1.00 61.21 H new ATOM 0 HD22 ASN A 43 9.783 -3.043 7.139 1.00 61.21 H new ATOM 677 N LYS A 44 6.871 0.455 5.791 1.00 34.22 N ATOM 678 CA LYS A 44 7.186 1.564 4.876 1.00 54.23 C ATOM 679 C LYS A 44 8.447 1.331 4.021 1.00 51.33 C ATOM 680 O LYS A 44 8.668 2.038 3.036 1.00 51.33 O ATOM 681 CB LYS A 44 7.324 2.871 5.668 1.00 72.52 C ATOM 682 CG LYS A 44 8.338 2.813 6.811 1.00 25.41 C ATOM 683 CD LYS A 44 8.393 4.133 7.574 1.00 11.44 C ATOM 684 CE LYS A 44 9.310 4.060 8.787 1.00 71.13 C ATOM 685 NZ LYS A 44 9.355 5.352 9.522 1.00 40.30 N ATOM 0 H LYS A 44 6.913 0.708 6.778 1.00 34.22 H new ATOM 0 HA LYS A 44 6.353 1.627 4.176 1.00 54.23 H new ATOM 0 HB2 LYS A 44 7.612 3.668 4.983 1.00 72.52 H new ATOM 0 HB3 LYS A 44 6.349 3.139 6.076 1.00 72.52 H new ATOM 0 HG2 LYS A 44 8.072 2.007 7.495 1.00 25.41 H new ATOM 0 HG3 LYS A 44 9.325 2.580 6.412 1.00 25.41 H new ATOM 0 HD2 LYS A 44 8.739 4.922 6.906 1.00 11.44 H new ATOM 0 HD3 LYS A 44 7.388 4.406 7.896 1.00 11.44 H new ATOM 0 HE2 LYS A 44 8.965 3.272 9.457 1.00 71.13 H new ATOM 0 HE3 LYS A 44 10.316 3.788 8.467 1.00 71.13 H new ATOM 0 HZ1 LYS A 44 9.255 5.175 10.542 1.00 40.30 H new ATOM 0 HZ2 LYS A 44 10.264 5.824 9.340 1.00 40.30 H new ATOM 0 HZ3 LYS A 44 8.577 5.962 9.199 1.00 40.30 H new ATOM 699 N ASP A 45 9.271 0.355 4.381 1.00 53.50 N ATOM 700 CA ASP A 45 10.506 0.093 3.635 1.00 22.31 C ATOM 701 C ASP A 45 10.253 -0.786 2.395 1.00 62.21 C ATOM 702 O ASP A 45 11.031 -0.768 1.437 1.00 24.41 O ATOM 703 CB ASP A 45 11.558 -0.552 4.550 1.00 53.15 C ATOM 704 CG ASP A 45 11.143 -1.911 5.098 1.00 72.53 C ATOM 705 OD1 ASP A 45 9.952 -2.268 5.014 1.00 3.43 O ATOM 706 OD2 ASP A 45 12.019 -2.630 5.624 1.00 65.30 O ATOM 0 H ASP A 45 9.114 -0.265 5.176 1.00 53.50 H new ATOM 0 HA ASP A 45 10.886 1.051 3.281 1.00 22.31 H new ATOM 0 HB2 ASP A 45 12.490 -0.663 3.995 1.00 53.15 H new ATOM 0 HB3 ASP A 45 11.762 0.119 5.384 1.00 53.15 H new ATOM 711 N GLN A 46 9.162 -1.553 2.415 1.00 42.11 N ATOM 712 CA GLN A 46 8.826 -2.456 1.303 1.00 31.53 C ATOM 713 C GLN A 46 8.230 -1.708 0.103 1.00 50.33 C ATOM 714 O GLN A 46 8.373 -2.149 -1.039 1.00 44.21 O ATOM 715 CB GLN A 46 7.848 -3.543 1.767 1.00 42.54 C ATOM 716 CG GLN A 46 8.384 -4.448 2.876 1.00 61.01 C ATOM 717 CD GLN A 46 9.599 -5.273 2.462 1.00 42.44 C ATOM 718 OE1 GLN A 46 10.419 -4.855 1.650 1.00 52.24 O ATOM 719 NE2 GLN A 46 9.725 -6.457 3.017 1.00 43.34 N ATOM 0 H GLN A 46 8.494 -1.570 3.186 1.00 42.11 H new ATOM 0 HA GLN A 46 9.760 -2.916 0.980 1.00 31.53 H new ATOM 0 HB2 GLN A 46 6.933 -3.065 2.116 1.00 42.54 H new ATOM 0 HB3 GLN A 46 7.578 -4.161 0.910 1.00 42.54 H new ATOM 0 HG2 GLN A 46 8.649 -3.834 3.737 1.00 61.01 H new ATOM 0 HG3 GLN A 46 7.590 -5.123 3.197 1.00 61.01 H new ATOM 0 HE21 GLN A 46 9.030 -6.782 3.689 1.00 43.34 H new ATOM 0 HE22 GLN A 46 10.518 -7.052 2.776 1.00 43.34 H new ATOM 728 N VAL A 47 7.571 -0.580 0.354 1.00 32.42 N ATOM 729 CA VAL A 47 6.941 0.192 -0.724 1.00 61.51 C ATOM 730 C VAL A 47 7.976 0.997 -1.537 1.00 72.50 C ATOM 731 O VAL A 47 8.697 1.844 -1.002 1.00 51.20 O ATOM 732 CB VAL A 47 5.837 1.140 -0.183 1.00 74.34 C ATOM 733 CG1 VAL A 47 6.396 2.116 0.853 1.00 61.14 C ATOM 734 CG2 VAL A 47 5.160 1.888 -1.332 1.00 13.11 C ATOM 0 H VAL A 47 7.457 -0.179 1.285 1.00 32.42 H new ATOM 0 HA VAL A 47 6.475 -0.535 -1.390 1.00 61.51 H new ATOM 0 HB VAL A 47 5.086 0.528 0.317 1.00 74.34 H new ATOM 0 HG11 VAL A 47 5.596 2.765 1.211 1.00 61.14 H new ATOM 0 HG12 VAL A 47 6.813 1.558 1.691 1.00 61.14 H new ATOM 0 HG13 VAL A 47 7.178 2.722 0.397 1.00 61.14 H new ATOM 0 HG21 VAL A 47 4.389 2.547 -0.933 1.00 13.11 H new ATOM 0 HG22 VAL A 47 5.902 2.480 -1.868 1.00 13.11 H new ATOM 0 HG23 VAL A 47 4.705 1.171 -2.015 1.00 13.11 H new ATOM 744 N ARG A 48 8.063 0.695 -2.829 1.00 2.12 N ATOM 745 CA ARG A 48 8.950 1.418 -3.745 1.00 11.10 C ATOM 746 C ARG A 48 8.300 2.729 -4.223 1.00 42.45 C ATOM 747 O ARG A 48 8.787 3.821 -3.929 1.00 73.22 O ATOM 748 CB ARG A 48 9.303 0.537 -4.957 1.00 73.54 C ATOM 749 CG ARG A 48 10.385 1.130 -5.856 1.00 1.12 C ATOM 750 CD ARG A 48 11.730 1.191 -5.140 1.00 44.01 C ATOM 751 NE ARG A 48 12.735 1.931 -5.902 1.00 0.40 N ATOM 752 CZ ARG A 48 13.971 1.539 -6.063 1.00 65.41 C ATOM 753 NH1 ARG A 48 14.372 0.408 -5.578 1.00 54.10 N ATOM 754 NH2 ARG A 48 14.805 2.281 -6.716 1.00 52.24 N ATOM 0 H ARG A 48 7.527 -0.051 -3.271 1.00 2.12 H new ATOM 0 HA ARG A 48 9.864 1.663 -3.204 1.00 11.10 H new ATOM 0 HB2 ARG A 48 9.634 -0.439 -4.601 1.00 73.54 H new ATOM 0 HB3 ARG A 48 8.403 0.372 -5.549 1.00 73.54 H new ATOM 0 HG2 ARG A 48 10.479 0.529 -6.760 1.00 1.12 H new ATOM 0 HG3 ARG A 48 10.092 2.132 -6.169 1.00 1.12 H new ATOM 0 HD2 ARG A 48 11.599 1.661 -4.165 1.00 44.01 H new ATOM 0 HD3 ARG A 48 12.089 0.178 -4.959 1.00 44.01 H new ATOM 0 HE ARG A 48 12.453 2.810 -6.336 1.00 0.40 H new ATOM 0 HH11 ARG A 48 13.721 -0.186 -5.065 1.00 54.10 H new ATOM 0 HH12 ARG A 48 15.339 0.111 -5.709 1.00 54.10 H new ATOM 0 HH21 ARG A 48 14.498 3.172 -7.105 1.00 52.24 H new ATOM 0 HH22 ARG A 48 15.770 1.975 -6.842 1.00 52.24 H new ATOM 768 N THR A 49 7.195 2.608 -4.966 1.00 14.23 N ATOM 769 CA THR A 49 6.481 3.778 -5.510 1.00 15.45 C ATOM 770 C THR A 49 4.984 3.737 -5.170 1.00 34.44 C ATOM 771 O THR A 49 4.339 2.692 -5.280 1.00 52.21 O ATOM 772 CB THR A 49 6.629 3.884 -7.053 1.00 31.01 C ATOM 773 OG1 THR A 49 6.105 2.707 -7.690 1.00 11.13 O ATOM 774 CG2 THR A 49 8.087 4.068 -7.454 1.00 43.21 C ATOM 0 H THR A 49 6.772 1.712 -5.207 1.00 14.23 H new ATOM 0 HA THR A 49 6.939 4.650 -5.043 1.00 15.45 H new ATOM 0 HB THR A 49 6.063 4.756 -7.379 1.00 31.01 H new ATOM 0 HG1 THR A 49 6.204 2.789 -8.662 1.00 11.13 H new ATOM 0 HG21 THR A 49 8.160 4.139 -8.539 1.00 43.21 H new ATOM 0 HG22 THR A 49 8.476 4.981 -7.004 1.00 43.21 H new ATOM 0 HG23 THR A 49 8.670 3.215 -7.106 1.00 43.21 H new ATOM 782 N VAL A 50 4.437 4.881 -4.754 1.00 42.44 N ATOM 783 CA VAL A 50 3.003 4.997 -4.451 1.00 13.41 C ATOM 784 C VAL A 50 2.255 5.707 -5.589 1.00 61.05 C ATOM 785 O VAL A 50 2.244 6.940 -5.666 1.00 75.02 O ATOM 786 CB VAL A 50 2.763 5.775 -3.131 1.00 24.23 C ATOM 787 CG1 VAL A 50 1.269 5.873 -2.816 1.00 11.32 C ATOM 788 CG2 VAL A 50 3.518 5.123 -1.973 1.00 50.12 C ATOM 0 H VAL A 50 4.964 5.744 -4.618 1.00 42.44 H new ATOM 0 HA VAL A 50 2.621 3.982 -4.341 1.00 13.41 H new ATOM 0 HB VAL A 50 3.147 6.787 -3.263 1.00 24.23 H new ATOM 0 HG11 VAL A 50 1.129 6.423 -1.886 1.00 11.32 H new ATOM 0 HG12 VAL A 50 0.760 6.395 -3.626 1.00 11.32 H new ATOM 0 HG13 VAL A 50 0.853 4.871 -2.711 1.00 11.32 H new ATOM 0 HG21 VAL A 50 3.335 5.685 -1.057 1.00 50.12 H new ATOM 0 HG22 VAL A 50 3.172 4.097 -1.844 1.00 50.12 H new ATOM 0 HG23 VAL A 50 4.586 5.121 -2.190 1.00 50.12 H new ATOM 798 N LYS A 51 1.637 4.934 -6.477 1.00 43.30 N ATOM 799 CA LYS A 51 0.905 5.504 -7.614 1.00 1.30 C ATOM 800 C LYS A 51 -0.457 4.844 -7.822 1.00 31.13 C ATOM 801 O LYS A 51 -0.682 3.707 -7.415 1.00 62.51 O ATOM 802 CB LYS A 51 1.728 5.390 -8.904 1.00 63.52 C ATOM 803 CG LYS A 51 2.935 6.317 -8.941 1.00 3.21 C ATOM 804 CD LYS A 51 3.517 6.439 -10.346 1.00 52.11 C ATOM 805 CE LYS A 51 4.230 7.772 -10.530 1.00 53.21 C ATOM 806 NZ LYS A 51 3.339 8.918 -10.199 1.00 31.55 N ATOM 0 H LYS A 51 1.626 3.915 -6.436 1.00 43.30 H new ATOM 0 HA LYS A 51 0.736 6.554 -7.377 1.00 1.30 H new ATOM 0 HB2 LYS A 51 2.067 4.361 -9.019 1.00 63.52 H new ATOM 0 HB3 LYS A 51 1.085 5.610 -9.756 1.00 63.52 H new ATOM 0 HG2 LYS A 51 2.645 7.304 -8.581 1.00 3.21 H new ATOM 0 HG3 LYS A 51 3.701 5.942 -8.262 1.00 3.21 H new ATOM 0 HD2 LYS A 51 4.215 5.622 -10.526 1.00 52.11 H new ATOM 0 HD3 LYS A 51 2.719 6.345 -11.083 1.00 52.11 H new ATOM 0 HE2 LYS A 51 5.115 7.803 -9.895 1.00 53.21 H new ATOM 0 HE3 LYS A 51 4.574 7.863 -11.560 1.00 53.21 H new ATOM 0 HZ1 LYS A 51 3.245 9.536 -11.030 1.00 31.55 H new ATOM 0 HZ2 LYS A 51 2.402 8.561 -9.925 1.00 31.55 H new ATOM 0 HZ3 LYS A 51 3.748 9.459 -9.410 1.00 31.55 H new ATOM 820 N ASP A 52 -1.360 5.572 -8.469 1.00 5.45 N ATOM 821 CA ASP A 52 -2.687 5.052 -8.779 1.00 41.33 C ATOM 822 C ASP A 52 -2.708 4.363 -10.147 1.00 73.13 C ATOM 823 O ASP A 52 -1.817 4.565 -10.976 1.00 72.10 O ATOM 824 CB ASP A 52 -3.717 6.184 -8.769 1.00 41.45 C ATOM 825 CG ASP A 52 -3.743 6.931 -7.451 1.00 2.21 C ATOM 826 OD1 ASP A 52 -4.202 6.355 -6.443 1.00 53.34 O ATOM 827 OD2 ASP A 52 -3.308 8.100 -7.420 1.00 42.13 O ATOM 0 H ASP A 52 -1.197 6.526 -8.790 1.00 5.45 H new ATOM 0 HA ASP A 52 -2.940 4.318 -8.014 1.00 41.33 H new ATOM 0 HB2 ASP A 52 -3.492 6.883 -9.575 1.00 41.45 H new ATOM 0 HB3 ASP A 52 -4.706 5.773 -8.970 1.00 41.45 H new ATOM 832 N LEU A 53 -3.723 3.538 -10.370 1.00 23.11 N ATOM 833 CA LEU A 53 -3.981 2.970 -11.694 1.00 43.12 C ATOM 834 C LEU A 53 -4.476 4.070 -12.642 1.00 4.02 C ATOM 835 O LEU A 53 -4.285 4.002 -13.857 1.00 63.24 O ATOM 836 CB LEU A 53 -5.021 1.845 -11.588 1.00 3.31 C ATOM 837 CG LEU A 53 -4.601 0.647 -10.720 1.00 54.22 C ATOM 838 CD1 LEU A 53 -5.734 -0.367 -10.602 1.00 40.12 C ATOM 839 CD2 LEU A 53 -3.349 -0.015 -11.290 1.00 42.52 C ATOM 0 H LEU A 53 -4.385 3.245 -9.651 1.00 23.11 H new ATOM 0 HA LEU A 53 -3.057 2.552 -12.093 1.00 43.12 H new ATOM 0 HB2 LEU A 53 -5.943 2.261 -11.183 1.00 3.31 H new ATOM 0 HB3 LEU A 53 -5.247 1.485 -12.592 1.00 3.31 H new ATOM 0 HG LEU A 53 -4.373 1.018 -9.721 1.00 54.22 H new ATOM 0 HD11 LEU A 53 -5.410 -1.204 -9.983 1.00 40.12 H new ATOM 0 HD12 LEU A 53 -6.602 0.108 -10.144 1.00 40.12 H new ATOM 0 HD13 LEU A 53 -6.001 -0.731 -11.594 1.00 40.12 H new ATOM 0 HD21 LEU A 53 -3.067 -0.861 -10.663 1.00 42.52 H new ATOM 0 HD22 LEU A 53 -3.551 -0.366 -12.302 1.00 42.52 H new ATOM 0 HD23 LEU A 53 -2.534 0.708 -11.313 1.00 42.52 H new ATOM 851 N LEU A 54 -5.107 5.095 -12.060 1.00 52.54 N ATOM 852 CA LEU A 54 -5.614 6.245 -12.814 1.00 32.12 C ATOM 853 C LEU A 54 -5.050 7.562 -12.247 1.00 32.21 C ATOM 854 O LEU A 54 -5.595 8.122 -11.294 1.00 63.34 O ATOM 855 CB LEU A 54 -7.154 6.270 -12.765 1.00 11.33 C ATOM 856 CG LEU A 54 -7.855 4.989 -13.249 1.00 51.53 C ATOM 857 CD1 LEU A 54 -9.366 5.085 -13.048 1.00 0.43 C ATOM 858 CD2 LEU A 54 -7.524 4.708 -14.713 1.00 43.43 C ATOM 0 H LEU A 54 -5.280 5.151 -11.056 1.00 52.54 H new ATOM 0 HA LEU A 54 -5.288 6.147 -13.850 1.00 32.12 H new ATOM 0 HB2 LEU A 54 -7.464 6.467 -11.739 1.00 11.33 H new ATOM 0 HB3 LEU A 54 -7.505 7.106 -13.370 1.00 11.33 H new ATOM 0 HG LEU A 54 -7.485 4.157 -12.650 1.00 51.53 H new ATOM 0 HD11 LEU A 54 -9.839 4.167 -13.398 1.00 0.43 H new ATOM 0 HD12 LEU A 54 -9.584 5.225 -11.989 1.00 0.43 H new ATOM 0 HD13 LEU A 54 -9.755 5.932 -13.613 1.00 0.43 H new ATOM 0 HD21 LEU A 54 -8.031 3.797 -15.032 1.00 43.43 H new ATOM 0 HD22 LEU A 54 -7.857 5.544 -15.328 1.00 43.43 H new ATOM 0 HD23 LEU A 54 -6.447 4.582 -14.825 1.00 43.43 H new ATOM 870 N GLU A 55 -3.937 8.032 -12.808 1.00 14.25 N ATOM 871 CA GLU A 55 -3.329 9.307 -12.384 1.00 24.01 C ATOM 872 C GLU A 55 -3.621 10.430 -13.399 1.00 54.20 C ATOM 873 O GLU A 55 -2.950 10.475 -14.456 1.00 38.74 O ATOM 874 CB GLU A 55 -1.807 9.158 -12.197 1.00 44.30 C ATOM 875 CG GLU A 55 -1.394 8.157 -11.121 1.00 51.34 C ATOM 876 CD GLU A 55 0.091 8.236 -10.791 1.00 42.24 C ATOM 877 OE1 GLU A 55 0.921 8.058 -11.708 1.00 24.02 O ATOM 878 OE2 GLU A 55 0.440 8.509 -9.626 1.00 50.34 O ATOM 0 H GLU A 55 -3.434 7.555 -13.556 1.00 14.25 H new ATOM 0 HA GLU A 55 -3.777 9.577 -11.428 1.00 24.01 H new ATOM 0 HB2 GLU A 55 -1.366 8.854 -13.146 1.00 44.30 H new ATOM 0 HB3 GLU A 55 -1.388 10.133 -11.948 1.00 44.30 H new ATOM 0 HG2 GLU A 55 -1.974 8.340 -10.217 1.00 51.34 H new ATOM 0 HG3 GLU A 55 -1.636 7.148 -11.456 1.00 51.34 H new TER 885 GLU A 55