USER MOD reduce.3.24.130724 H: found=0, std=0, add=634, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 634 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 MET CE :methyl 163:sc= -0.162 (180deg=-0.553) USER MOD Single : A 1 MET N :NH3+ 143:sc= 0.0647 (180deg=-0.000415) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 GLN : amide:sc= -0.201 X(o=-0.2,f=-0.61) USER MOD Single : A 27 LYS NZ :NH3+ -118:sc= -0.0626 (180deg=-1.53) USER MOD Single : A 29 THR OG1 : rot 100:sc= 0.00245 USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 ASN : amide:sc= 0.00944 X(o=0.0094,f=-0.46) USER MOD Single : A 38 LYS NZ :NH3+ -110:sc= 0.858 (180deg=-0.317) USER MOD Single : A 42 GLN : amide:sc= -0.0512 X(o=-0.051,f=0.014) USER MOD Single : A 43 THR OG1 : rot 180:sc= -0.146 USER MOD Single : A 45 LYS NZ :NH3+ -172:sc= -0.0237 (180deg=-0.126) USER MOD Single : A 49 LYS NZ :NH3+ -171:sc= -0.0171 (180deg=-0.206) USER MOD Single : A 50 MET CE :methyl 173:sc= -0.809 (180deg=-0.998) USER MOD Single : A 52 LYS NZ :NH3+ 168:sc= -0.036 (180deg=-0.211) USER MOD Single : A 55 LYS NZ :NH3+ 161:sc= 0.699 (180deg=0.438) USER MOD Single : A 56 LYS NZ :NH3+ 133:sc= -0.0425 (180deg=-0.229) USER MOD Single : A 58 LYS NZ :NH3+ 153:sc= -1.04 (180deg=-2.81!) USER MOD Single : A 60 ASN : amide:sc= -0.174 K(o=-0.17,f=-0.79) USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 LYS NZ :NH3+ -157:sc= 0.818 (180deg=0.131) USER MOD Single : A 66 THR OG1 : rot 180:sc= 0.272 USER MOD Single : A 69 SER OG : rot 180:sc= 0.00396 USER MOD Single : A 72 HIS : no HD1:sc= -0.085 X(o=-0.085,f=0.009) USER MOD Single : A 73 HIS : no HD1:sc= 0 X(o=0,f=-0.0075) USER MOD Single : A 74 HIS : no HD1:sc= -0.0527 X(o=-0.053,f=-0.055) USER MOD Single : A 75 HIS : no HD1:sc= -0.0148 X(o=-0.015,f=0) USER MOD Single : A 76 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 77 HIS : no HD1:sc= 0 X(o=0,f=-0.0006) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 1.441 14.015 -4.323 1.00 11.02 N ATOM 2 CA MET A 1 0.905 12.671 -4.629 1.00 61.23 C ATOM 3 C MET A 1 2.041 11.709 -5.025 1.00 33.52 C ATOM 4 O MET A 1 2.707 11.892 -6.051 1.00 24.04 O ATOM 5 CB MET A 1 -0.209 12.735 -5.721 1.00 3.24 C ATOM 6 CG MET A 1 0.165 13.490 -7.010 1.00 21.10 C ATOM 7 SD MET A 1 -1.157 13.469 -8.246 1.00 62.24 S ATOM 8 CE MET A 1 -2.523 14.206 -7.351 1.00 43.42 C ATOM 0 H1 MET A 1 0.776 14.739 -4.663 1.00 11.02 H new ATOM 0 H2 MET A 1 1.565 14.114 -3.295 1.00 11.02 H new ATOM 0 H3 MET A 1 2.359 14.139 -4.796 1.00 11.02 H new ATOM 0 HA MET A 1 0.439 12.279 -3.725 1.00 61.23 H new ATOM 0 HB2 MET A 1 -0.491 11.716 -5.987 1.00 3.24 H new ATOM 0 HB3 MET A 1 -1.091 13.207 -5.288 1.00 3.24 H new ATOM 0 HG2 MET A 1 0.408 14.523 -6.762 1.00 21.10 H new ATOM 0 HG3 MET A 1 1.063 13.045 -7.438 1.00 21.10 H new ATOM 0 HE1 MET A 1 -3.288 14.529 -8.057 1.00 43.42 H new ATOM 0 HE2 MET A 1 -2.947 13.472 -6.666 1.00 43.42 H new ATOM 0 HE3 MET A 1 -2.165 15.066 -6.785 1.00 43.42 H new ATOM 20 N VAL A 2 2.294 10.715 -4.159 1.00 43.22 N ATOM 21 CA VAL A 2 3.218 9.612 -4.434 1.00 71.54 C ATOM 22 C VAL A 2 2.384 8.332 -4.613 1.00 64.12 C ATOM 23 O VAL A 2 1.725 7.863 -3.672 1.00 32.22 O ATOM 24 CB VAL A 2 4.279 9.431 -3.285 1.00 10.53 C ATOM 25 CG1 VAL A 2 5.294 8.306 -3.630 1.00 54.10 C ATOM 26 CG2 VAL A 2 5.010 10.772 -2.977 1.00 20.30 C ATOM 0 H VAL A 2 1.856 10.657 -3.239 1.00 43.22 H new ATOM 0 HA VAL A 2 3.782 9.832 -5.340 1.00 71.54 H new ATOM 0 HB VAL A 2 3.744 9.130 -2.384 1.00 10.53 H new ATOM 0 HG11 VAL A 2 6.014 8.204 -2.818 1.00 54.10 H new ATOM 0 HG12 VAL A 2 4.762 7.364 -3.763 1.00 54.10 H new ATOM 0 HG13 VAL A 2 5.819 8.559 -4.551 1.00 54.10 H new ATOM 0 HG21 VAL A 2 5.736 10.616 -2.180 1.00 20.30 H new ATOM 0 HG22 VAL A 2 5.524 11.120 -3.873 1.00 20.30 H new ATOM 0 HG23 VAL A 2 4.282 11.520 -2.663 1.00 20.30 H new ATOM 36 N ASP A 3 2.430 7.795 -5.829 1.00 64.24 N ATOM 37 CA ASP A 3 1.631 6.654 -6.253 1.00 61.13 C ATOM 38 C ASP A 3 2.483 5.379 -6.079 1.00 13.12 C ATOM 39 O ASP A 3 3.404 5.122 -6.859 1.00 34.33 O ATOM 40 CB ASP A 3 1.198 6.880 -7.728 1.00 35.24 C ATOM 41 CG ASP A 3 0.200 5.839 -8.237 1.00 41.22 C ATOM 42 OD1 ASP A 3 -0.961 5.860 -7.773 1.00 51.32 O ATOM 43 OD2 ASP A 3 0.563 5.008 -9.103 1.00 63.23 O ATOM 0 H ASP A 3 3.040 8.152 -6.564 1.00 64.24 H new ATOM 0 HA ASP A 3 0.728 6.541 -5.654 1.00 61.13 H new ATOM 0 HB2 ASP A 3 0.755 7.872 -7.821 1.00 35.24 H new ATOM 0 HB3 ASP A 3 2.083 6.865 -8.364 1.00 35.24 H new ATOM 48 N LEU A 4 2.211 4.627 -5.002 1.00 43.01 N ATOM 49 CA LEU A 4 2.942 3.394 -4.660 1.00 3.34 C ATOM 50 C LEU A 4 2.141 2.172 -5.118 1.00 63.44 C ATOM 51 O LEU A 4 1.056 1.911 -4.607 1.00 20.20 O ATOM 52 CB LEU A 4 3.202 3.342 -3.128 1.00 71.41 C ATOM 53 CG LEU A 4 4.089 4.490 -2.550 1.00 55.15 C ATOM 54 CD1 LEU A 4 4.141 4.422 -1.013 1.00 13.44 C ATOM 55 CD2 LEU A 4 5.514 4.473 -3.170 1.00 51.44 C ATOM 0 H LEU A 4 1.472 4.858 -4.338 1.00 43.01 H new ATOM 0 HA LEU A 4 3.904 3.388 -5.173 1.00 3.34 H new ATOM 0 HB2 LEU A 4 2.241 3.358 -2.615 1.00 71.41 H new ATOM 0 HB3 LEU A 4 3.674 2.389 -2.891 1.00 71.41 H new ATOM 0 HG LEU A 4 3.629 5.439 -2.826 1.00 55.15 H new ATOM 0 HD11 LEU A 4 4.765 5.232 -0.634 1.00 13.44 H new ATOM 0 HD12 LEU A 4 3.133 4.521 -0.610 1.00 13.44 H new ATOM 0 HD13 LEU A 4 4.562 3.465 -0.705 1.00 13.44 H new ATOM 0 HD21 LEU A 4 6.105 5.285 -2.746 1.00 51.44 H new ATOM 0 HD22 LEU A 4 5.995 3.520 -2.950 1.00 51.44 H new ATOM 0 HD23 LEU A 4 5.442 4.602 -4.250 1.00 51.44 H new ATOM 67 N LYS A 5 2.682 1.446 -6.096 1.00 51.52 N ATOM 68 CA LYS A 5 2.059 0.228 -6.637 1.00 75.23 C ATOM 69 C LYS A 5 2.667 -0.984 -5.934 1.00 33.14 C ATOM 70 O LYS A 5 3.855 -1.255 -6.094 1.00 71.14 O ATOM 71 CB LYS A 5 2.295 0.147 -8.162 1.00 13.33 C ATOM 72 CG LYS A 5 1.782 1.368 -8.946 1.00 30.03 C ATOM 73 CD LYS A 5 2.144 1.296 -10.443 1.00 60.23 C ATOM 74 CE LYS A 5 1.557 2.452 -11.257 1.00 50.53 C ATOM 75 NZ LYS A 5 1.860 2.322 -12.698 1.00 44.40 N ATOM 0 H LYS A 5 3.569 1.683 -6.541 1.00 51.52 H new ATOM 0 HA LYS A 5 0.983 0.248 -6.462 1.00 75.23 H new ATOM 0 HB2 LYS A 5 3.363 0.033 -8.347 1.00 13.33 H new ATOM 0 HB3 LYS A 5 1.807 -0.749 -8.547 1.00 13.33 H new ATOM 0 HG2 LYS A 5 0.699 1.437 -8.839 1.00 30.03 H new ATOM 0 HG3 LYS A 5 2.203 2.277 -8.516 1.00 30.03 H new ATOM 0 HD2 LYS A 5 3.229 1.298 -10.549 1.00 60.23 H new ATOM 0 HD3 LYS A 5 1.786 0.352 -10.853 1.00 60.23 H new ATOM 0 HE2 LYS A 5 0.477 2.484 -11.115 1.00 50.53 H new ATOM 0 HE3 LYS A 5 1.956 3.396 -10.886 1.00 50.53 H new ATOM 0 HZ1 LYS A 5 1.445 3.124 -13.214 1.00 44.40 H new ATOM 0 HZ2 LYS A 5 2.891 2.317 -12.837 1.00 44.40 H new ATOM 0 HZ3 LYS A 5 1.458 1.433 -13.059 1.00 44.40 H new ATOM 89 N ILE A 6 1.862 -1.699 -5.141 1.00 4.13 N ATOM 90 CA ILE A 6 2.325 -2.869 -4.380 1.00 55.40 C ATOM 91 C ILE A 6 1.834 -4.151 -5.073 1.00 42.10 C ATOM 92 O ILE A 6 0.651 -4.481 -4.997 1.00 11.41 O ATOM 93 CB ILE A 6 1.838 -2.848 -2.868 1.00 75.21 C ATOM 94 CG1 ILE A 6 2.475 -1.655 -2.059 1.00 22.03 C ATOM 95 CG2 ILE A 6 2.134 -4.200 -2.161 1.00 43.33 C ATOM 96 CD1 ILE A 6 1.871 -0.286 -2.305 1.00 63.12 C ATOM 0 H ILE A 6 0.874 -1.486 -5.007 1.00 4.13 H new ATOM 0 HA ILE A 6 3.414 -2.840 -4.361 1.00 55.40 H new ATOM 0 HB ILE A 6 0.759 -2.697 -2.888 1.00 75.21 H new ATOM 0 HG12 ILE A 6 2.394 -1.880 -0.995 1.00 22.03 H new ATOM 0 HG13 ILE A 6 3.538 -1.609 -2.295 1.00 22.03 H new ATOM 0 HG21 ILE A 6 1.789 -4.154 -1.128 1.00 43.33 H new ATOM 0 HG22 ILE A 6 1.614 -5.004 -2.681 1.00 43.33 H new ATOM 0 HG23 ILE A 6 3.207 -4.392 -2.177 1.00 43.33 H new ATOM 0 HD11 ILE A 6 2.388 0.455 -1.695 1.00 63.12 H new ATOM 0 HD12 ILE A 6 1.976 -0.026 -3.358 1.00 63.12 H new ATOM 0 HD13 ILE A 6 0.814 -0.301 -2.038 1.00 63.12 H new ATOM 108 N ASP A 7 2.753 -4.861 -5.733 1.00 13.24 N ATOM 109 CA ASP A 7 2.462 -6.177 -6.330 1.00 44.13 C ATOM 110 C ASP A 7 2.045 -7.160 -5.228 1.00 12.25 C ATOM 111 O ASP A 7 2.723 -7.265 -4.198 1.00 52.45 O ATOM 112 CB ASP A 7 3.696 -6.706 -7.099 1.00 12.33 C ATOM 113 CG ASP A 7 3.513 -8.138 -7.637 1.00 21.53 C ATOM 114 OD1 ASP A 7 2.847 -8.318 -8.682 1.00 21.32 O ATOM 115 OD2 ASP A 7 4.006 -9.096 -6.998 1.00 22.03 O ATOM 0 H ASP A 7 3.714 -4.547 -5.871 1.00 13.24 H new ATOM 0 HA ASP A 7 1.642 -6.075 -7.040 1.00 44.13 H new ATOM 0 HB2 ASP A 7 3.910 -6.037 -7.933 1.00 12.33 H new ATOM 0 HB3 ASP A 7 4.564 -6.681 -6.440 1.00 12.33 H new ATOM 120 N VAL A 8 0.923 -7.859 -5.445 1.00 61.05 N ATOM 121 CA VAL A 8 0.352 -8.802 -4.482 1.00 65.24 C ATOM 122 C VAL A 8 0.051 -10.129 -5.203 1.00 53.41 C ATOM 123 O VAL A 8 -0.486 -10.138 -6.318 1.00 33.55 O ATOM 124 CB VAL A 8 -0.955 -8.235 -3.794 1.00 70.11 C ATOM 125 CG1 VAL A 8 -0.613 -7.097 -2.798 1.00 62.44 C ATOM 126 CG2 VAL A 8 -1.985 -7.749 -4.852 1.00 60.02 C ATOM 0 H VAL A 8 0.382 -7.782 -6.306 1.00 61.05 H new ATOM 0 HA VAL A 8 1.079 -8.964 -3.686 1.00 65.24 H new ATOM 0 HB VAL A 8 -1.410 -9.051 -3.233 1.00 70.11 H new ATOM 0 HG11 VAL A 8 -1.530 -6.726 -2.340 1.00 62.44 H new ATOM 0 HG12 VAL A 8 0.051 -7.479 -2.023 1.00 62.44 H new ATOM 0 HG13 VAL A 8 -0.119 -6.284 -3.330 1.00 62.44 H new ATOM 0 HG21 VAL A 8 -2.872 -7.365 -4.347 1.00 60.02 H new ATOM 0 HG22 VAL A 8 -1.540 -6.958 -5.456 1.00 60.02 H new ATOM 0 HG23 VAL A 8 -2.266 -8.582 -5.496 1.00 60.02 H new ATOM 136 N SER A 9 0.464 -11.229 -4.574 1.00 74.45 N ATOM 137 CA SER A 9 0.215 -12.590 -5.057 1.00 14.04 C ATOM 138 C SER A 9 -1.221 -13.024 -4.728 1.00 75.32 C ATOM 139 O SER A 9 -1.892 -13.663 -5.549 1.00 70.42 O ATOM 140 CB SER A 9 1.234 -13.560 -4.413 1.00 71.15 C ATOM 141 OG SER A 9 1.011 -14.904 -4.797 1.00 53.23 O ATOM 0 H SER A 9 0.990 -11.201 -3.700 1.00 74.45 H new ATOM 0 HA SER A 9 0.335 -12.612 -6.140 1.00 14.04 H new ATOM 0 HB2 SER A 9 2.244 -13.265 -4.699 1.00 71.15 H new ATOM 0 HB3 SER A 9 1.173 -13.479 -3.328 1.00 71.15 H new ATOM 0 HG SER A 9 1.677 -15.481 -4.369 1.00 53.23 H new ATOM 147 N ASP A 10 -1.676 -12.661 -3.518 1.00 31.12 N ATOM 148 CA ASP A 10 -2.967 -13.119 -2.968 1.00 50.40 C ATOM 149 C ASP A 10 -3.942 -11.948 -2.826 1.00 44.53 C ATOM 150 O ASP A 10 -3.525 -10.783 -2.751 1.00 33.31 O ATOM 151 CB ASP A 10 -2.744 -13.804 -1.597 1.00 42.41 C ATOM 152 CG ASP A 10 -1.830 -15.031 -1.696 1.00 31.33 C ATOM 153 OD1 ASP A 10 -2.337 -16.146 -1.937 1.00 53.03 O ATOM 154 OD2 ASP A 10 -0.595 -14.881 -1.577 1.00 43.13 O ATOM 0 H ASP A 10 -1.161 -12.042 -2.892 1.00 31.12 H new ATOM 0 HA ASP A 10 -3.402 -13.841 -3.659 1.00 50.40 H new ATOM 0 HB2 ASP A 10 -2.309 -13.086 -0.902 1.00 42.41 H new ATOM 0 HB3 ASP A 10 -3.707 -14.104 -1.184 1.00 42.41 H new ATOM 159 N ASP A 11 -5.242 -12.283 -2.753 1.00 40.14 N ATOM 160 CA ASP A 11 -6.333 -11.294 -2.672 1.00 21.40 C ATOM 161 C ASP A 11 -6.563 -10.887 -1.210 1.00 40.25 C ATOM 162 O ASP A 11 -6.902 -9.737 -0.936 1.00 31.52 O ATOM 163 CB ASP A 11 -7.637 -11.833 -3.319 1.00 1.03 C ATOM 164 CG ASP A 11 -8.241 -13.052 -2.599 1.00 32.32 C ATOM 165 OD1 ASP A 11 -7.668 -14.157 -2.694 1.00 74.11 O ATOM 166 OD2 ASP A 11 -9.297 -12.920 -1.941 1.00 72.20 O ATOM 0 H ASP A 11 -5.567 -13.250 -2.748 1.00 40.14 H new ATOM 0 HA ASP A 11 -6.039 -10.409 -3.237 1.00 21.40 H new ATOM 0 HB2 ASP A 11 -8.377 -11.033 -3.339 1.00 1.03 H new ATOM 0 HB3 ASP A 11 -7.431 -12.102 -4.355 1.00 1.03 H new ATOM 171 N GLU A 12 -6.372 -11.842 -0.279 1.00 21.44 N ATOM 172 CA GLU A 12 -6.403 -11.553 1.167 1.00 64.01 C ATOM 173 C GLU A 12 -5.203 -10.657 1.535 1.00 70.43 C ATOM 174 O GLU A 12 -5.356 -9.701 2.289 1.00 60.12 O ATOM 175 CB GLU A 12 -6.370 -12.845 2.014 1.00 70.00 C ATOM 176 CG GLU A 12 -6.522 -12.604 3.537 1.00 55.23 C ATOM 177 CD GLU A 12 -6.223 -13.851 4.381 1.00 53.11 C ATOM 178 OE1 GLU A 12 -7.115 -14.715 4.515 1.00 43.22 O ATOM 179 OE2 GLU A 12 -5.092 -13.977 4.909 1.00 40.43 O ATOM 0 H GLU A 12 -6.194 -12.821 -0.504 1.00 21.44 H new ATOM 0 HA GLU A 12 -7.338 -11.039 1.388 1.00 64.01 H new ATOM 0 HB2 GLU A 12 -7.169 -13.507 1.680 1.00 70.00 H new ATOM 0 HB3 GLU A 12 -5.429 -13.363 1.831 1.00 70.00 H new ATOM 0 HG2 GLU A 12 -5.852 -11.800 3.839 1.00 55.23 H new ATOM 0 HG3 GLU A 12 -7.538 -12.268 3.745 1.00 55.23 H new ATOM 186 N GLU A 13 -4.026 -10.987 0.964 1.00 71.01 N ATOM 187 CA GLU A 13 -2.781 -10.190 1.109 1.00 64.31 C ATOM 188 C GLU A 13 -2.981 -8.758 0.577 1.00 61.23 C ATOM 189 O GLU A 13 -2.509 -7.788 1.184 1.00 44.42 O ATOM 190 CB GLU A 13 -1.625 -10.882 0.356 1.00 43.22 C ATOM 191 CG GLU A 13 -0.302 -10.090 0.305 1.00 30.45 C ATOM 192 CD GLU A 13 0.788 -10.799 -0.510 1.00 55.23 C ATOM 193 OE1 GLU A 13 0.534 -11.153 -1.677 1.00 64.41 O ATOM 194 OE2 GLU A 13 1.903 -11.009 0.006 1.00 31.43 O ATOM 0 H GLU A 13 -3.908 -11.818 0.385 1.00 71.01 H new ATOM 0 HA GLU A 13 -2.532 -10.127 2.168 1.00 64.31 H new ATOM 0 HB2 GLU A 13 -1.434 -11.847 0.826 1.00 43.22 H new ATOM 0 HB3 GLU A 13 -1.948 -11.083 -0.665 1.00 43.22 H new ATOM 0 HG2 GLU A 13 -0.490 -9.107 -0.127 1.00 30.45 H new ATOM 0 HG3 GLU A 13 0.058 -9.929 1.321 1.00 30.45 H new ATOM 201 N ALA A 14 -3.699 -8.661 -0.554 1.00 34.21 N ATOM 202 CA ALA A 14 -4.090 -7.384 -1.165 1.00 64.53 C ATOM 203 C ALA A 14 -4.919 -6.543 -0.177 1.00 75.31 C ATOM 204 O ALA A 14 -4.646 -5.353 0.022 1.00 72.23 O ATOM 205 CB ALA A 14 -4.886 -7.654 -2.451 1.00 42.41 C ATOM 0 H ALA A 14 -4.026 -9.476 -1.073 1.00 34.21 H new ATOM 0 HA ALA A 14 -3.193 -6.818 -1.415 1.00 64.53 H new ATOM 0 HB1 ALA A 14 -5.176 -6.706 -2.905 1.00 42.41 H new ATOM 0 HB2 ALA A 14 -4.268 -8.217 -3.150 1.00 42.41 H new ATOM 0 HB3 ALA A 14 -5.780 -8.231 -2.212 1.00 42.41 H new ATOM 211 N GLU A 15 -5.919 -7.204 0.448 1.00 22.45 N ATOM 212 CA GLU A 15 -6.777 -6.594 1.477 1.00 4.24 C ATOM 213 C GLU A 15 -5.962 -6.143 2.696 1.00 12.54 C ATOM 214 O GLU A 15 -6.239 -5.083 3.220 1.00 30.14 O ATOM 215 CB GLU A 15 -7.896 -7.563 1.931 1.00 62.00 C ATOM 216 CG GLU A 15 -8.903 -7.912 0.832 1.00 72.14 C ATOM 217 CD GLU A 15 -9.997 -8.867 1.312 1.00 15.33 C ATOM 218 OE1 GLU A 15 -10.981 -8.398 1.923 1.00 54.20 O ATOM 219 OE2 GLU A 15 -9.874 -10.091 1.100 1.00 21.32 O ATOM 0 H GLU A 15 -6.151 -8.177 0.249 1.00 22.45 H new ATOM 0 HA GLU A 15 -7.237 -5.717 1.020 1.00 4.24 H new ATOM 0 HB2 GLU A 15 -7.439 -8.483 2.296 1.00 62.00 H new ATOM 0 HB3 GLU A 15 -8.430 -7.117 2.770 1.00 62.00 H new ATOM 0 HG2 GLU A 15 -9.363 -6.995 0.463 1.00 72.14 H new ATOM 0 HG3 GLU A 15 -8.375 -8.364 -0.008 1.00 72.14 H new ATOM 226 N LYS A 16 -4.951 -6.948 3.114 1.00 72.31 N ATOM 227 CA LYS A 16 -4.087 -6.653 4.294 1.00 71.34 C ATOM 228 C LYS A 16 -3.469 -5.252 4.168 1.00 41.21 C ATOM 229 O LYS A 16 -3.497 -4.464 5.115 1.00 4.45 O ATOM 230 CB LYS A 16 -2.937 -7.689 4.440 1.00 30.31 C ATOM 231 CG LYS A 16 -3.347 -9.155 4.688 1.00 55.04 C ATOM 232 CD LYS A 16 -3.961 -9.403 6.078 1.00 25.11 C ATOM 233 CE LYS A 16 -4.258 -10.893 6.312 1.00 0.20 C ATOM 234 NZ LYS A 16 -4.860 -11.146 7.640 1.00 34.44 N ATOM 0 H LYS A 16 -4.710 -7.821 2.644 1.00 72.31 H new ATOM 0 HA LYS A 16 -4.725 -6.707 5.176 1.00 71.34 H new ATOM 0 HB2 LYS A 16 -2.332 -7.654 3.534 1.00 30.31 H new ATOM 0 HB3 LYS A 16 -2.297 -7.372 5.263 1.00 30.31 H new ATOM 0 HG2 LYS A 16 -4.065 -9.455 3.925 1.00 55.04 H new ATOM 0 HG3 LYS A 16 -2.471 -9.792 4.569 1.00 55.04 H new ATOM 0 HD2 LYS A 16 -3.277 -9.043 6.847 1.00 25.11 H new ATOM 0 HD3 LYS A 16 -4.882 -8.829 6.176 1.00 25.11 H new ATOM 0 HE2 LYS A 16 -4.933 -11.252 5.535 1.00 0.20 H new ATOM 0 HE3 LYS A 16 -3.334 -11.464 6.220 1.00 0.20 H new ATOM 0 HZ1 LYS A 16 -5.042 -12.164 7.751 1.00 34.44 H new ATOM 0 HZ2 LYS A 16 -4.206 -10.828 8.384 1.00 34.44 H new ATOM 0 HZ3 LYS A 16 -5.756 -10.624 7.720 1.00 34.44 H new ATOM 248 N ILE A 17 -2.952 -4.966 2.957 1.00 52.41 N ATOM 249 CA ILE A 17 -2.332 -3.675 2.609 1.00 3.33 C ATOM 250 C ILE A 17 -3.347 -2.540 2.805 1.00 33.40 C ATOM 251 O ILE A 17 -3.120 -1.606 3.583 1.00 14.30 O ATOM 252 CB ILE A 17 -1.807 -3.681 1.114 1.00 51.21 C ATOM 253 CG1 ILE A 17 -0.879 -4.918 0.847 1.00 71.43 C ATOM 254 CG2 ILE A 17 -1.093 -2.351 0.753 1.00 1.33 C ATOM 255 CD1 ILE A 17 0.226 -5.114 1.865 1.00 13.13 C ATOM 0 H ILE A 17 -2.954 -5.633 2.185 1.00 52.41 H new ATOM 0 HA ILE A 17 -1.479 -3.515 3.268 1.00 3.33 H new ATOM 0 HB ILE A 17 -2.676 -3.768 0.462 1.00 51.21 H new ATOM 0 HG12 ILE A 17 -1.494 -5.817 0.822 1.00 71.43 H new ATOM 0 HG13 ILE A 17 -0.430 -4.811 -0.140 1.00 71.43 H new ATOM 0 HG21 ILE A 17 -0.747 -2.393 -0.280 1.00 1.33 H new ATOM 0 HG22 ILE A 17 -1.790 -1.521 0.869 1.00 1.33 H new ATOM 0 HG23 ILE A 17 -0.240 -2.204 1.416 1.00 1.33 H new ATOM 0 HD11 ILE A 17 0.815 -5.992 1.598 1.00 13.13 H new ATOM 0 HD12 ILE A 17 0.870 -4.235 1.877 1.00 13.13 H new ATOM 0 HD13 ILE A 17 -0.211 -5.257 2.853 1.00 13.13 H new ATOM 267 N ILE A 18 -4.495 -2.703 2.136 1.00 32.12 N ATOM 268 CA ILE A 18 -5.607 -1.740 2.127 1.00 35.21 C ATOM 269 C ILE A 18 -6.107 -1.424 3.563 1.00 3.54 C ATOM 270 O ILE A 18 -6.294 -0.256 3.922 1.00 1.23 O ATOM 271 CB ILE A 18 -6.770 -2.325 1.222 1.00 12.34 C ATOM 272 CG1 ILE A 18 -6.236 -2.552 -0.239 1.00 25.24 C ATOM 273 CG2 ILE A 18 -8.040 -1.438 1.236 1.00 3.53 C ATOM 274 CD1 ILE A 18 -7.224 -3.142 -1.235 1.00 65.32 C ATOM 0 H ILE A 18 -4.683 -3.531 1.570 1.00 32.12 H new ATOM 0 HA ILE A 18 -5.261 -0.793 1.712 1.00 35.21 H new ATOM 0 HB ILE A 18 -7.075 -3.283 1.642 1.00 12.34 H new ATOM 0 HG12 ILE A 18 -5.888 -1.595 -0.628 1.00 25.24 H new ATOM 0 HG13 ILE A 18 -5.368 -3.210 -0.188 1.00 25.24 H new ATOM 0 HG21 ILE A 18 -8.804 -1.886 0.600 1.00 3.53 H new ATOM 0 HG22 ILE A 18 -8.417 -1.359 2.256 1.00 3.53 H new ATOM 0 HG23 ILE A 18 -7.794 -0.444 0.862 1.00 3.53 H new ATOM 0 HD11 ILE A 18 -6.741 -3.251 -2.206 1.00 65.32 H new ATOM 0 HD12 ILE A 18 -7.556 -4.119 -0.883 1.00 65.32 H new ATOM 0 HD13 ILE A 18 -8.084 -2.479 -1.331 1.00 65.32 H new ATOM 286 N ARG A 19 -6.236 -2.481 4.385 1.00 10.31 N ATOM 287 CA ARG A 19 -6.817 -2.408 5.741 1.00 4.10 C ATOM 288 C ARG A 19 -5.889 -1.637 6.698 1.00 42.42 C ATOM 289 O ARG A 19 -6.347 -0.740 7.417 1.00 4.15 O ATOM 290 CB ARG A 19 -7.112 -3.840 6.292 1.00 34.22 C ATOM 291 CG ARG A 19 -8.217 -4.602 5.518 1.00 3.14 C ATOM 292 CD ARG A 19 -8.413 -6.048 6.014 1.00 34.51 C ATOM 293 NE ARG A 19 -9.418 -6.782 5.215 1.00 44.43 N ATOM 294 CZ ARG A 19 -10.239 -7.747 5.676 1.00 70.23 C ATOM 295 NH1 ARG A 19 -10.205 -8.128 6.949 1.00 35.15 N ATOM 296 NH2 ARG A 19 -11.087 -8.330 4.849 1.00 45.55 N ATOM 0 H ARG A 19 -5.937 -3.421 4.125 1.00 10.31 H new ATOM 0 HA ARG A 19 -7.760 -1.865 5.676 1.00 4.10 H new ATOM 0 HB2 ARG A 19 -6.193 -4.425 6.262 1.00 34.22 H new ATOM 0 HB3 ARG A 19 -7.405 -3.761 7.339 1.00 34.22 H new ATOM 0 HG2 ARG A 19 -9.158 -4.061 5.613 1.00 3.14 H new ATOM 0 HG3 ARG A 19 -7.964 -4.619 4.458 1.00 3.14 H new ATOM 0 HD2 ARG A 19 -7.461 -6.577 5.971 1.00 34.51 H new ATOM 0 HD3 ARG A 19 -8.723 -6.033 7.059 1.00 34.51 H new ATOM 0 HE ARG A 19 -9.497 -6.537 4.228 1.00 44.43 H new ATOM 0 HH11 ARG A 19 -9.550 -7.688 7.596 1.00 35.15 H new ATOM 0 HH12 ARG A 19 -10.834 -8.860 7.279 1.00 35.15 H new ATOM 0 HH21 ARG A 19 -11.118 -8.050 3.869 1.00 45.55 H new ATOM 0 HH22 ARG A 19 -11.711 -9.061 5.190 1.00 45.55 H new ATOM 310 N GLU A 20 -4.583 -1.982 6.670 1.00 35.53 N ATOM 311 CA GLU A 20 -3.556 -1.355 7.534 1.00 2.23 C ATOM 312 C GLU A 20 -3.439 0.154 7.253 1.00 31.34 C ATOM 313 O GLU A 20 -3.454 0.971 8.185 1.00 54.43 O ATOM 314 CB GLU A 20 -2.168 -2.036 7.337 1.00 64.15 C ATOM 315 CG GLU A 20 -2.093 -3.512 7.792 1.00 1.42 C ATOM 316 CD GLU A 20 -2.392 -3.703 9.292 1.00 63.53 C ATOM 317 OE1 GLU A 20 -1.664 -3.117 10.126 1.00 1.44 O ATOM 318 OE2 GLU A 20 -3.321 -4.459 9.649 1.00 74.41 O ATOM 0 H GLU A 20 -4.211 -2.701 6.050 1.00 35.53 H new ATOM 0 HA GLU A 20 -3.873 -1.494 8.568 1.00 2.23 H new ATOM 0 HB2 GLU A 20 -1.901 -1.983 6.282 1.00 64.15 H new ATOM 0 HB3 GLU A 20 -1.419 -1.464 7.885 1.00 64.15 H new ATOM 0 HG2 GLU A 20 -2.801 -4.101 7.209 1.00 1.42 H new ATOM 0 HG3 GLU A 20 -1.099 -3.902 7.574 1.00 1.42 H new ATOM 325 N ILE A 21 -3.354 0.504 5.955 1.00 13.13 N ATOM 326 CA ILE A 21 -3.153 1.896 5.511 1.00 12.11 C ATOM 327 C ILE A 21 -4.357 2.783 5.886 1.00 13.23 C ATOM 328 O ILE A 21 -4.165 3.908 6.339 1.00 21.44 O ATOM 329 CB ILE A 21 -2.863 1.966 3.962 1.00 75.41 C ATOM 330 CG1 ILE A 21 -1.603 1.105 3.596 1.00 1.53 C ATOM 331 CG2 ILE A 21 -2.701 3.432 3.475 1.00 22.13 C ATOM 332 CD1 ILE A 21 -0.320 1.489 4.312 1.00 45.04 C ATOM 0 H ILE A 21 -3.422 -0.166 5.189 1.00 13.13 H new ATOM 0 HA ILE A 21 -2.278 2.283 6.033 1.00 12.11 H new ATOM 0 HB ILE A 21 -3.725 1.548 3.443 1.00 75.41 H new ATOM 0 HG12 ILE A 21 -1.822 0.060 3.815 1.00 1.53 H new ATOM 0 HG13 ILE A 21 -1.435 1.177 2.521 1.00 1.53 H new ATOM 0 HG21 ILE A 21 -2.502 3.440 2.403 1.00 22.13 H new ATOM 0 HG22 ILE A 21 -3.617 3.986 3.678 1.00 22.13 H new ATOM 0 HG23 ILE A 21 -1.869 3.900 4.001 1.00 22.13 H new ATOM 0 HD11 ILE A 21 0.488 0.833 3.988 1.00 45.04 H new ATOM 0 HD12 ILE A 21 -0.066 2.522 4.075 1.00 45.04 H new ATOM 0 HD13 ILE A 21 -0.460 1.388 5.388 1.00 45.04 H new ATOM 344 N ARG A 22 -5.587 2.249 5.729 1.00 22.13 N ATOM 345 CA ARG A 22 -6.832 3.006 6.027 1.00 74.23 C ATOM 346 C ARG A 22 -6.999 3.307 7.539 1.00 63.25 C ATOM 347 O ARG A 22 -7.689 4.267 7.902 1.00 73.01 O ATOM 348 CB ARG A 22 -8.076 2.258 5.480 1.00 50.22 C ATOM 349 CG ARG A 22 -8.180 2.261 3.938 1.00 43.43 C ATOM 350 CD ARG A 22 -9.452 1.563 3.432 1.00 20.12 C ATOM 351 NE ARG A 22 -9.581 1.621 1.968 1.00 1.25 N ATOM 352 CZ ARG A 22 -10.169 2.613 1.281 1.00 12.54 C ATOM 353 NH1 ARG A 22 -10.695 3.663 1.901 1.00 51.11 N ATOM 354 NH2 ARG A 22 -10.252 2.528 -0.032 1.00 41.34 N ATOM 0 H ARG A 22 -5.749 1.298 5.398 1.00 22.13 H new ATOM 0 HA ARG A 22 -6.745 3.966 5.519 1.00 74.23 H new ATOM 0 HB2 ARG A 22 -8.051 1.226 5.831 1.00 50.22 H new ATOM 0 HB3 ARG A 22 -8.974 2.714 5.896 1.00 50.22 H new ATOM 0 HG2 ARG A 22 -8.167 3.290 3.578 1.00 43.43 H new ATOM 0 HG3 ARG A 22 -7.305 1.765 3.517 1.00 43.43 H new ATOM 0 HD2 ARG A 22 -9.443 0.521 3.752 1.00 20.12 H new ATOM 0 HD3 ARG A 22 -10.325 2.029 3.889 1.00 20.12 H new ATOM 0 HE ARG A 22 -9.192 0.845 1.432 1.00 1.25 H new ATOM 0 HH11 ARG A 22 -10.657 3.727 2.918 1.00 51.11 H new ATOM 0 HH12 ARG A 22 -11.137 4.406 1.360 1.00 51.11 H new ATOM 0 HH21 ARG A 22 -9.872 1.714 -0.515 1.00 41.34 H new ATOM 0 HH22 ARG A 22 -10.697 3.276 -0.564 1.00 41.34 H new ATOM 368 N GLU A 23 -6.385 2.483 8.406 1.00 33.54 N ATOM 369 CA GLU A 23 -6.397 2.701 9.870 1.00 61.43 C ATOM 370 C GLU A 23 -5.486 3.875 10.252 1.00 1.30 C ATOM 371 O GLU A 23 -5.899 4.801 10.961 1.00 52.41 O ATOM 372 CB GLU A 23 -5.938 1.420 10.612 1.00 34.15 C ATOM 373 CG GLU A 23 -6.908 0.239 10.480 1.00 4.32 C ATOM 374 CD GLU A 23 -6.356 -1.053 11.103 1.00 4.45 C ATOM 375 OE1 GLU A 23 -5.558 -1.741 10.436 1.00 2.12 O ATOM 376 OE2 GLU A 23 -6.702 -1.379 12.262 1.00 43.13 O ATOM 0 H GLU A 23 -5.869 1.652 8.118 1.00 33.54 H new ATOM 0 HA GLU A 23 -7.418 2.938 10.167 1.00 61.43 H new ATOM 0 HB2 GLU A 23 -4.963 1.120 10.228 1.00 34.15 H new ATOM 0 HB3 GLU A 23 -5.807 1.652 11.669 1.00 34.15 H new ATOM 0 HG2 GLU A 23 -7.853 0.494 10.960 1.00 4.32 H new ATOM 0 HG3 GLU A 23 -7.123 0.066 9.425 1.00 4.32 H new ATOM 383 N GLN A 24 -4.246 3.819 9.754 1.00 62.11 N ATOM 384 CA GLN A 24 -3.177 4.762 10.115 1.00 15.02 C ATOM 385 C GLN A 24 -3.447 6.136 9.454 1.00 32.24 C ATOM 386 O GLN A 24 -3.347 7.188 10.099 1.00 42.43 O ATOM 387 CB GLN A 24 -1.812 4.160 9.681 1.00 51.41 C ATOM 388 CG GLN A 24 -1.586 2.706 10.175 1.00 34.40 C ATOM 389 CD GLN A 24 -0.397 1.986 9.523 1.00 52.01 C ATOM 390 OE1 GLN A 24 0.614 2.599 9.188 1.00 50.40 O ATOM 391 NE2 GLN A 24 -0.519 0.678 9.328 1.00 41.01 N ATOM 0 H GLN A 24 -3.951 3.111 9.082 1.00 62.11 H new ATOM 0 HA GLN A 24 -3.151 4.922 11.193 1.00 15.02 H new ATOM 0 HB2 GLN A 24 -1.746 4.179 8.593 1.00 51.41 H new ATOM 0 HB3 GLN A 24 -1.009 4.792 10.060 1.00 51.41 H new ATOM 0 HG2 GLN A 24 -1.436 2.722 11.255 1.00 34.40 H new ATOM 0 HG3 GLN A 24 -2.491 2.128 9.988 1.00 34.40 H new ATOM 0 HE21 GLN A 24 -1.371 0.197 9.617 1.00 41.01 H new ATOM 0 HE22 GLN A 24 0.239 0.155 8.889 1.00 41.01 H new ATOM 400 N TRP A 25 -3.785 6.092 8.156 1.00 32.54 N ATOM 401 CA TRP A 25 -4.215 7.266 7.366 1.00 53.13 C ATOM 402 C TRP A 25 -5.603 6.988 6.740 1.00 73.12 C ATOM 403 O TRP A 25 -5.689 6.323 5.705 1.00 24.55 O ATOM 404 CB TRP A 25 -3.170 7.590 6.259 1.00 53.52 C ATOM 405 CG TRP A 25 -1.757 7.636 6.787 1.00 21.33 C ATOM 406 CD1 TRP A 25 -1.133 8.684 7.401 1.00 3.34 C ATOM 407 CD2 TRP A 25 -0.822 6.553 6.796 1.00 45.12 C ATOM 408 NE1 TRP A 25 0.137 8.327 7.764 1.00 53.42 N ATOM 409 CE2 TRP A 25 0.346 7.021 7.415 1.00 1.23 C ATOM 410 CE3 TRP A 25 -0.865 5.230 6.343 1.00 11.35 C ATOM 411 CZ2 TRP A 25 1.463 6.223 7.584 1.00 34.24 C ATOM 412 CZ3 TRP A 25 0.248 4.435 6.514 1.00 54.43 C ATOM 413 CH2 TRP A 25 1.397 4.933 7.137 1.00 3.22 C ATOM 0 H TRP A 25 -3.768 5.228 7.613 1.00 32.54 H new ATOM 0 HA TRP A 25 -4.289 8.132 8.024 1.00 53.13 H new ATOM 0 HB2 TRP A 25 -3.235 6.838 5.472 1.00 53.52 H new ATOM 0 HB3 TRP A 25 -3.415 8.550 5.804 1.00 53.52 H new ATOM 0 HD1 TRP A 25 -1.577 9.653 7.575 1.00 3.34 H new ATOM 0 HE1 TRP A 25 0.817 8.935 8.220 1.00 53.42 H new ATOM 0 HE3 TRP A 25 -1.753 4.839 5.869 1.00 11.35 H new ATOM 0 HZ2 TRP A 25 2.357 6.606 8.053 1.00 34.24 H new ATOM 0 HZ3 TRP A 25 0.233 3.414 6.162 1.00 54.43 H new ATOM 0 HH2 TRP A 25 2.250 4.284 7.268 1.00 3.22 H new ATOM 424 N PRO A 26 -6.723 7.460 7.385 1.00 3.22 N ATOM 425 CA PRO A 26 -8.091 7.348 6.800 1.00 51.14 C ATOM 426 C PRO A 26 -8.252 8.221 5.535 1.00 1.24 C ATOM 427 O PRO A 26 -9.054 7.921 4.647 1.00 62.13 O ATOM 428 CB PRO A 26 -9.011 7.829 7.955 1.00 31.34 C ATOM 429 CG PRO A 26 -8.134 8.717 8.795 1.00 22.44 C ATOM 430 CD PRO A 26 -6.751 8.093 8.736 1.00 73.23 C ATOM 0 HA PRO A 26 -8.325 6.338 6.463 1.00 51.14 H new ATOM 0 HB2 PRO A 26 -9.875 8.372 7.573 1.00 31.34 H new ATOM 0 HB3 PRO A 26 -9.393 6.988 8.533 1.00 31.34 H new ATOM 0 HG2 PRO A 26 -8.122 9.736 8.408 1.00 22.44 H new ATOM 0 HG3 PRO A 26 -8.497 8.770 9.821 1.00 22.44 H new ATOM 0 HD2 PRO A 26 -5.966 8.841 8.847 1.00 73.23 H new ATOM 0 HD3 PRO A 26 -6.606 7.359 9.528 1.00 73.23 H new ATOM 438 N LYS A 27 -7.451 9.298 5.472 1.00 10.45 N ATOM 439 CA LYS A 27 -7.438 10.274 4.363 1.00 52.14 C ATOM 440 C LYS A 27 -6.549 9.814 3.173 1.00 75.12 C ATOM 441 O LYS A 27 -6.127 10.638 2.350 1.00 64.02 O ATOM 442 CB LYS A 27 -7.005 11.681 4.933 1.00 71.51 C ATOM 443 CG LYS A 27 -5.781 11.702 5.913 1.00 14.12 C ATOM 444 CD LYS A 27 -4.420 11.374 5.244 1.00 31.43 C ATOM 445 CE LYS A 27 -4.018 12.406 4.168 1.00 73.55 C ATOM 446 NZ LYS A 27 -3.010 11.872 3.235 1.00 2.11 N ATOM 0 H LYS A 27 -6.779 9.522 6.206 1.00 10.45 H new ATOM 0 HA LYS A 27 -8.443 10.352 3.947 1.00 52.14 H new ATOM 0 HB2 LYS A 27 -6.776 12.333 4.090 1.00 71.51 H new ATOM 0 HB3 LYS A 27 -7.861 12.116 5.449 1.00 71.51 H new ATOM 0 HG2 LYS A 27 -5.717 12.687 6.375 1.00 14.12 H new ATOM 0 HG3 LYS A 27 -5.960 10.986 6.715 1.00 14.12 H new ATOM 0 HD2 LYS A 27 -3.645 11.333 6.009 1.00 31.43 H new ATOM 0 HD3 LYS A 27 -4.473 10.384 4.790 1.00 31.43 H new ATOM 0 HE2 LYS A 27 -4.903 12.710 3.609 1.00 73.55 H new ATOM 0 HE3 LYS A 27 -3.625 13.300 4.653 1.00 73.55 H new ATOM 0 HZ1 LYS A 27 -2.140 12.438 3.303 1.00 2.11 H new ATOM 0 HZ2 LYS A 27 -2.800 10.883 3.479 1.00 2.11 H new ATOM 0 HZ3 LYS A 27 -3.378 11.918 2.263 1.00 2.11 H new ATOM 460 N ALA A 28 -6.312 8.497 3.063 1.00 3.41 N ATOM 461 CA ALA A 28 -5.357 7.931 2.089 1.00 1.52 C ATOM 462 C ALA A 28 -6.176 7.254 0.996 1.00 74.51 C ATOM 463 O ALA A 28 -6.922 6.308 1.307 1.00 40.43 O ATOM 464 CB ALA A 28 -4.425 6.921 2.769 1.00 62.14 C ATOM 0 H ALA A 28 -6.773 7.795 3.642 1.00 3.41 H new ATOM 0 HA ALA A 28 -4.729 8.716 1.668 1.00 1.52 H new ATOM 0 HB1 ALA A 28 -3.729 6.516 2.034 1.00 62.14 H new ATOM 0 HB2 ALA A 28 -3.866 7.418 3.562 1.00 62.14 H new ATOM 0 HB3 ALA A 28 -5.016 6.110 3.195 1.00 62.14 H new ATOM 470 N THR A 29 -6.104 7.718 -0.271 1.00 61.22 N ATOM 471 CA THR A 29 -6.905 7.138 -1.348 1.00 40.12 C ATOM 472 C THR A 29 -6.291 5.799 -1.792 1.00 53.23 C ATOM 473 O THR A 29 -5.219 5.762 -2.405 1.00 32.13 O ATOM 474 CB THR A 29 -6.987 8.121 -2.566 1.00 31.31 C ATOM 475 OG1 THR A 29 -7.241 9.457 -2.092 1.00 63.23 O ATOM 476 CG2 THR A 29 -8.079 7.704 -3.576 1.00 62.31 C ATOM 0 H THR A 29 -5.501 8.487 -0.562 1.00 61.22 H new ATOM 0 HA THR A 29 -7.915 6.965 -0.976 1.00 40.12 H new ATOM 0 HB THR A 29 -6.030 8.086 -3.087 1.00 31.31 H new ATOM 0 HG1 THR A 29 -6.401 9.960 -2.066 1.00 63.23 H new ATOM 0 HG21 THR A 29 -8.100 8.414 -4.403 1.00 62.31 H new ATOM 0 HG22 THR A 29 -7.859 6.707 -3.958 1.00 62.31 H new ATOM 0 HG23 THR A 29 -9.050 7.696 -3.080 1.00 62.31 H new ATOM 484 N VAL A 30 -6.952 4.696 -1.434 1.00 50.52 N ATOM 485 CA VAL A 30 -6.543 3.365 -1.874 1.00 42.31 C ATOM 486 C VAL A 30 -7.304 3.026 -3.162 1.00 53.05 C ATOM 487 O VAL A 30 -8.513 3.276 -3.269 1.00 21.45 O ATOM 488 CB VAL A 30 -6.804 2.274 -0.776 1.00 4.25 C ATOM 489 CG1 VAL A 30 -6.253 0.902 -1.232 1.00 3.32 C ATOM 490 CG2 VAL A 30 -6.195 2.692 0.591 1.00 12.44 C ATOM 0 H VAL A 30 -7.778 4.702 -0.836 1.00 50.52 H new ATOM 0 HA VAL A 30 -5.469 3.370 -2.058 1.00 42.31 H new ATOM 0 HB VAL A 30 -7.882 2.183 -0.641 1.00 4.25 H new ATOM 0 HG11 VAL A 30 -6.443 0.158 -0.458 1.00 3.32 H new ATOM 0 HG12 VAL A 30 -6.748 0.600 -2.155 1.00 3.32 H new ATOM 0 HG13 VAL A 30 -5.180 0.980 -1.404 1.00 3.32 H new ATOM 0 HG21 VAL A 30 -6.393 1.916 1.330 1.00 12.44 H new ATOM 0 HG22 VAL A 30 -5.118 2.826 0.484 1.00 12.44 H new ATOM 0 HG23 VAL A 30 -6.646 3.629 0.919 1.00 12.44 H new ATOM 500 N THR A 31 -6.584 2.447 -4.121 1.00 13.41 N ATOM 501 CA THR A 31 -7.088 2.130 -5.448 1.00 60.45 C ATOM 502 C THR A 31 -6.751 0.661 -5.722 1.00 3.42 C ATOM 503 O THR A 31 -5.568 0.306 -5.851 1.00 41.31 O ATOM 504 CB THR A 31 -6.423 3.045 -6.534 1.00 31.22 C ATOM 505 OG1 THR A 31 -6.567 4.428 -6.164 1.00 31.35 O ATOM 506 CG2 THR A 31 -7.027 2.821 -7.938 1.00 45.34 C ATOM 0 H THR A 31 -5.608 2.180 -3.989 1.00 13.41 H new ATOM 0 HA THR A 31 -8.164 2.301 -5.492 1.00 60.45 H new ATOM 0 HB THR A 31 -5.368 2.777 -6.581 1.00 31.22 H new ATOM 0 HG1 THR A 31 -6.148 4.994 -6.845 1.00 31.35 H new ATOM 0 HG21 THR A 31 -6.534 3.477 -8.655 1.00 45.34 H new ATOM 0 HG22 THR A 31 -6.880 1.783 -8.236 1.00 45.34 H new ATOM 0 HG23 THR A 31 -8.094 3.045 -7.915 1.00 45.34 H new ATOM 514 N ARG A 32 -7.777 -0.194 -5.783 1.00 23.11 N ATOM 515 CA ARG A 32 -7.586 -1.623 -6.023 1.00 31.11 C ATOM 516 C ARG A 32 -7.421 -1.823 -7.531 1.00 13.15 C ATOM 517 O ARG A 32 -8.250 -1.358 -8.318 1.00 4.25 O ATOM 518 CB ARG A 32 -8.793 -2.440 -5.451 1.00 23.13 C ATOM 519 CG ARG A 32 -8.683 -3.996 -5.577 1.00 50.55 C ATOM 520 CD ARG A 32 -9.172 -4.562 -6.931 1.00 4.14 C ATOM 521 NE ARG A 32 -9.016 -6.023 -7.012 1.00 73.31 N ATOM 522 CZ ARG A 32 -9.202 -6.762 -8.113 1.00 71.13 C ATOM 523 NH1 ARG A 32 -9.552 -6.211 -9.264 1.00 63.31 N ATOM 524 NH2 ARG A 32 -9.062 -8.067 -8.044 1.00 2.31 N ATOM 0 H ARG A 32 -8.752 0.083 -5.668 1.00 23.11 H new ATOM 0 HA ARG A 32 -6.695 -1.988 -5.511 1.00 31.11 H new ATOM 0 HB2 ARG A 32 -8.912 -2.187 -4.397 1.00 23.13 H new ATOM 0 HB3 ARG A 32 -9.701 -2.116 -5.961 1.00 23.13 H new ATOM 0 HG2 ARG A 32 -7.643 -4.288 -5.429 1.00 50.55 H new ATOM 0 HG3 ARG A 32 -9.261 -4.455 -4.775 1.00 50.55 H new ATOM 0 HD2 ARG A 32 -10.221 -4.302 -7.074 1.00 4.14 H new ATOM 0 HD3 ARG A 32 -8.614 -4.093 -7.742 1.00 4.14 H new ATOM 0 HE ARG A 32 -8.744 -6.513 -6.160 1.00 73.31 H new ATOM 0 HH11 ARG A 32 -9.686 -5.202 -9.326 1.00 63.31 H new ATOM 0 HH12 ARG A 32 -9.688 -6.795 -10.089 1.00 63.31 H new ATOM 0 HH21 ARG A 32 -8.814 -8.507 -7.158 1.00 2.31 H new ATOM 0 HH22 ARG A 32 -9.201 -8.640 -8.877 1.00 2.31 H new ATOM 538 N THR A 33 -6.354 -2.518 -7.915 1.00 44.43 N ATOM 539 CA THR A 33 -6.087 -2.901 -9.301 1.00 62.22 C ATOM 540 C THR A 33 -5.654 -4.382 -9.306 1.00 60.22 C ATOM 541 O THR A 33 -5.058 -4.859 -8.330 1.00 23.23 O ATOM 542 CB THR A 33 -4.978 -1.981 -9.936 1.00 40.20 C ATOM 543 OG1 THR A 33 -5.351 -0.592 -9.802 1.00 12.32 O ATOM 544 CG2 THR A 33 -4.737 -2.290 -11.424 1.00 31.03 C ATOM 0 H THR A 33 -5.638 -2.837 -7.262 1.00 44.43 H new ATOM 0 HA THR A 33 -6.984 -2.774 -9.906 1.00 62.22 H new ATOM 0 HB THR A 33 -4.053 -2.184 -9.396 1.00 40.20 H new ATOM 0 HG1 THR A 33 -4.655 -0.027 -10.198 1.00 12.32 H new ATOM 0 HG21 THR A 33 -3.963 -1.628 -11.812 1.00 31.03 H new ATOM 0 HG22 THR A 33 -4.416 -3.326 -11.533 1.00 31.03 H new ATOM 0 HG23 THR A 33 -5.661 -2.136 -11.982 1.00 31.03 H new ATOM 552 N ASN A 34 -6.036 -5.135 -10.352 1.00 24.23 N ATOM 553 CA ASN A 34 -5.459 -6.463 -10.626 1.00 32.30 C ATOM 554 C ASN A 34 -3.920 -6.371 -10.763 1.00 14.05 C ATOM 555 O ASN A 34 -3.402 -5.458 -11.426 1.00 42.23 O ATOM 556 CB ASN A 34 -6.084 -7.054 -11.917 1.00 30.32 C ATOM 557 CG ASN A 34 -7.585 -7.322 -11.774 1.00 72.21 C ATOM 558 OD1 ASN A 34 -8.416 -6.446 -12.033 1.00 63.52 O ATOM 559 ND2 ASN A 34 -7.941 -8.527 -11.354 1.00 42.22 N ATOM 0 H ASN A 34 -6.746 -4.845 -11.025 1.00 24.23 H new ATOM 0 HA ASN A 34 -5.687 -7.123 -9.789 1.00 32.30 H new ATOM 0 HB2 ASN A 34 -5.919 -6.365 -12.745 1.00 30.32 H new ATOM 0 HB3 ASN A 34 -5.575 -7.984 -12.170 1.00 30.32 H new ATOM 0 HD21 ASN A 34 -8.928 -8.755 -11.236 1.00 42.22 H new ATOM 0 HD22 ASN A 34 -7.228 -9.227 -11.149 1.00 42.22 H new ATOM 566 N GLY A 35 -3.213 -7.330 -10.141 1.00 50.21 N ATOM 567 CA GLY A 35 -1.753 -7.315 -10.055 1.00 63.30 C ATOM 568 C GLY A 35 -1.226 -6.478 -8.890 1.00 62.24 C ATOM 569 O GLY A 35 -0.534 -7.000 -8.006 1.00 72.52 O ATOM 0 H GLY A 35 -3.643 -8.135 -9.686 1.00 50.21 H new ATOM 0 HA2 GLY A 35 -1.391 -8.338 -9.952 1.00 63.30 H new ATOM 0 HA3 GLY A 35 -1.345 -6.925 -10.988 1.00 63.30 H new ATOM 573 N ASP A 36 -1.580 -5.175 -8.880 1.00 22.32 N ATOM 574 CA ASP A 36 -0.978 -4.179 -7.965 1.00 1.53 C ATOM 575 C ASP A 36 -2.046 -3.458 -7.134 1.00 43.03 C ATOM 576 O ASP A 36 -3.096 -3.097 -7.642 1.00 13.50 O ATOM 577 CB ASP A 36 -0.188 -3.111 -8.767 1.00 52.10 C ATOM 578 CG ASP A 36 0.862 -3.722 -9.708 1.00 62.23 C ATOM 579 OD1 ASP A 36 1.887 -4.224 -9.215 1.00 35.45 O ATOM 580 OD2 ASP A 36 0.671 -3.691 -10.950 1.00 55.43 O ATOM 0 H ASP A 36 -2.287 -4.784 -9.502 1.00 22.32 H new ATOM 0 HA ASP A 36 -0.310 -4.725 -7.299 1.00 1.53 H new ATOM 0 HB2 ASP A 36 -0.887 -2.513 -9.351 1.00 52.10 H new ATOM 0 HB3 ASP A 36 0.306 -2.434 -8.071 1.00 52.10 H new ATOM 585 N ILE A 37 -1.728 -3.198 -5.870 1.00 62.54 N ATOM 586 CA ILE A 37 -2.540 -2.374 -4.974 1.00 20.11 C ATOM 587 C ILE A 37 -1.936 -0.973 -4.974 1.00 53.24 C ATOM 588 O ILE A 37 -0.857 -0.738 -4.411 1.00 52.31 O ATOM 589 CB ILE A 37 -2.582 -2.982 -3.521 1.00 53.33 C ATOM 590 CG1 ILE A 37 -3.274 -4.378 -3.563 1.00 2.04 C ATOM 591 CG2 ILE A 37 -3.281 -2.028 -2.507 1.00 40.53 C ATOM 592 CD1 ILE A 37 -4.712 -4.361 -4.064 1.00 4.12 C ATOM 0 H ILE A 37 -0.883 -3.560 -5.429 1.00 62.54 H new ATOM 0 HA ILE A 37 -3.573 -2.340 -5.320 1.00 20.11 H new ATOM 0 HB ILE A 37 -1.558 -3.103 -3.168 1.00 53.33 H new ATOM 0 HG12 ILE A 37 -2.689 -5.039 -4.202 1.00 2.04 H new ATOM 0 HG13 ILE A 37 -3.258 -4.807 -2.561 1.00 2.04 H new ATOM 0 HG21 ILE A 37 -3.287 -2.488 -1.519 1.00 40.53 H new ATOM 0 HG22 ILE A 37 -2.740 -1.083 -2.464 1.00 40.53 H new ATOM 0 HG23 ILE A 37 -4.306 -1.844 -2.828 1.00 40.53 H new ATOM 0 HD11 ILE A 37 -5.111 -5.375 -4.059 1.00 4.12 H new ATOM 0 HD12 ILE A 37 -5.317 -3.730 -3.413 1.00 4.12 H new ATOM 0 HD13 ILE A 37 -4.739 -3.966 -5.080 1.00 4.12 H new ATOM 604 N LYS A 38 -2.644 -0.058 -5.635 1.00 70.11 N ATOM 605 CA LYS A 38 -2.147 1.275 -5.945 1.00 63.13 C ATOM 606 C LYS A 38 -2.552 2.226 -4.804 1.00 74.23 C ATOM 607 O LYS A 38 -3.729 2.338 -4.467 1.00 25.30 O ATOM 608 CB LYS A 38 -2.699 1.708 -7.333 1.00 24.11 C ATOM 609 CG LYS A 38 -1.755 2.633 -8.116 1.00 62.34 C ATOM 610 CD LYS A 38 -2.231 2.907 -9.559 1.00 24.42 C ATOM 611 CE LYS A 38 -3.549 3.694 -9.612 1.00 35.34 C ATOM 612 NZ LYS A 38 -3.437 5.001 -8.919 1.00 74.12 N ATOM 0 H LYS A 38 -3.591 -0.227 -5.973 1.00 70.11 H new ATOM 0 HA LYS A 38 -1.059 1.297 -6.015 1.00 63.13 H new ATOM 0 HB2 LYS A 38 -2.896 0.817 -7.929 1.00 24.11 H new ATOM 0 HB3 LYS A 38 -3.654 2.214 -7.192 1.00 24.11 H new ATOM 0 HG2 LYS A 38 -1.662 3.580 -7.585 1.00 62.34 H new ATOM 0 HG3 LYS A 38 -0.761 2.186 -8.147 1.00 62.34 H new ATOM 0 HD2 LYS A 38 -1.460 3.463 -10.092 1.00 24.42 H new ATOM 0 HD3 LYS A 38 -2.358 1.959 -10.081 1.00 24.42 H new ATOM 0 HE2 LYS A 38 -3.834 3.857 -10.651 1.00 35.34 H new ATOM 0 HE3 LYS A 38 -4.343 3.105 -9.152 1.00 35.34 H new ATOM 0 HZ1 LYS A 38 -3.998 4.979 -8.044 1.00 74.12 H new ATOM 0 HZ2 LYS A 38 -2.440 5.187 -8.687 1.00 74.12 H new ATOM 0 HZ3 LYS A 38 -3.794 5.755 -9.540 1.00 74.12 H new ATOM 626 N LEU A 39 -1.559 2.883 -4.211 1.00 5.04 N ATOM 627 CA LEU A 39 -1.691 3.626 -2.949 1.00 62.52 C ATOM 628 C LEU A 39 -1.398 5.113 -3.236 1.00 64.33 C ATOM 629 O LEU A 39 -0.464 5.426 -3.979 1.00 70.54 O ATOM 630 CB LEU A 39 -0.680 3.012 -1.910 1.00 5.31 C ATOM 631 CG LEU A 39 -1.052 3.073 -0.387 1.00 3.44 C ATOM 632 CD1 LEU A 39 0.042 2.396 0.473 1.00 55.32 C ATOM 633 CD2 LEU A 39 -1.319 4.510 0.098 1.00 14.22 C ATOM 0 H LEU A 39 -0.616 2.918 -4.599 1.00 5.04 H new ATOM 0 HA LEU A 39 -2.695 3.551 -2.531 1.00 62.52 H new ATOM 0 HB2 LEU A 39 -0.527 1.965 -2.173 1.00 5.31 H new ATOM 0 HB3 LEU A 39 0.277 3.517 -2.039 1.00 5.31 H new ATOM 0 HG LEU A 39 -1.984 2.521 -0.266 1.00 3.44 H new ATOM 0 HD11 LEU A 39 -0.237 2.450 1.525 1.00 55.32 H new ATOM 0 HD12 LEU A 39 0.143 1.352 0.178 1.00 55.32 H new ATOM 0 HD13 LEU A 39 0.992 2.909 0.323 1.00 55.32 H new ATOM 0 HD21 LEU A 39 -1.572 4.495 1.158 1.00 14.22 H new ATOM 0 HD22 LEU A 39 -0.426 5.117 -0.054 1.00 14.22 H new ATOM 0 HD23 LEU A 39 -2.148 4.937 -0.467 1.00 14.22 H new ATOM 645 N ASP A 40 -2.199 6.010 -2.647 1.00 30.40 N ATOM 646 CA ASP A 40 -2.035 7.470 -2.795 1.00 35.42 C ATOM 647 C ASP A 40 -1.581 8.074 -1.461 1.00 24.13 C ATOM 648 O ASP A 40 -2.343 8.114 -0.481 1.00 63.23 O ATOM 649 CB ASP A 40 -3.360 8.117 -3.282 1.00 35.54 C ATOM 650 CG ASP A 40 -3.388 9.658 -3.186 1.00 24.05 C ATOM 651 OD1 ASP A 40 -2.750 10.331 -4.031 1.00 71.32 O ATOM 652 OD2 ASP A 40 -4.051 10.199 -2.258 1.00 52.12 O ATOM 0 H ASP A 40 -2.984 5.747 -2.051 1.00 30.40 H new ATOM 0 HA ASP A 40 -1.271 7.674 -3.546 1.00 35.42 H new ATOM 0 HB2 ASP A 40 -3.533 7.826 -4.318 1.00 35.54 H new ATOM 0 HB3 ASP A 40 -4.185 7.713 -2.695 1.00 35.54 H new ATOM 657 N ALA A 41 -0.303 8.458 -1.424 1.00 31.34 N ATOM 658 CA ALA A 41 0.257 9.323 -0.384 1.00 11.23 C ATOM 659 C ALA A 41 0.087 10.778 -0.821 1.00 64.22 C ATOM 660 O ALA A 41 0.480 11.127 -1.925 1.00 73.31 O ATOM 661 CB ALA A 41 1.740 9.003 -0.157 1.00 33.01 C ATOM 0 H ALA A 41 0.381 8.173 -2.125 1.00 31.34 H new ATOM 0 HA ALA A 41 -0.267 9.154 0.556 1.00 11.23 H new ATOM 0 HB1 ALA A 41 2.138 9.656 0.619 1.00 33.01 H new ATOM 0 HB2 ALA A 41 1.844 7.964 0.154 1.00 33.01 H new ATOM 0 HB3 ALA A 41 2.292 9.162 -1.083 1.00 33.01 H new ATOM 667 N GLN A 42 -0.522 11.610 0.028 1.00 15.14 N ATOM 668 CA GLN A 42 -0.657 13.053 -0.231 1.00 44.11 C ATOM 669 C GLN A 42 0.732 13.714 -0.217 1.00 33.01 C ATOM 670 O GLN A 42 1.081 14.484 -1.121 1.00 72.12 O ATOM 671 CB GLN A 42 -1.593 13.707 0.820 1.00 32.42 C ATOM 672 CG GLN A 42 -1.824 15.231 0.665 1.00 44.31 C ATOM 673 CD GLN A 42 -2.332 15.629 -0.724 1.00 33.21 C ATOM 674 OE1 GLN A 42 -1.553 15.971 -1.608 1.00 24.41 O ATOM 675 NE2 GLN A 42 -3.631 15.551 -0.932 1.00 63.12 N ATOM 0 H GLN A 42 -0.935 11.308 0.911 1.00 15.14 H new ATOM 0 HA GLN A 42 -1.104 13.200 -1.214 1.00 44.11 H new ATOM 0 HB2 GLN A 42 -2.560 13.206 0.778 1.00 32.42 H new ATOM 0 HB3 GLN A 42 -1.180 13.521 1.812 1.00 32.42 H new ATOM 0 HG2 GLN A 42 -2.543 15.561 1.415 1.00 44.31 H new ATOM 0 HG3 GLN A 42 -0.890 15.755 0.867 1.00 44.31 H new ATOM 0 HE21 GLN A 42 -4.252 15.263 -0.176 1.00 63.12 H new ATOM 0 HE22 GLN A 42 -4.015 15.778 -1.849 1.00 63.12 H new ATOM 684 N THR A 43 1.533 13.357 0.798 1.00 51.23 N ATOM 685 CA THR A 43 2.881 13.912 0.996 1.00 31.42 C ATOM 686 C THR A 43 3.947 12.821 0.801 1.00 60.35 C ATOM 687 O THR A 43 3.680 11.619 0.965 1.00 45.21 O ATOM 688 CB THR A 43 3.022 14.563 2.417 1.00 40.11 C ATOM 689 OG1 THR A 43 2.754 13.591 3.434 1.00 65.21 O ATOM 690 CG2 THR A 43 2.069 15.764 2.597 1.00 63.23 C ATOM 0 H THR A 43 1.264 12.674 1.506 1.00 51.23 H new ATOM 0 HA THR A 43 3.035 14.691 0.249 1.00 31.42 H new ATOM 0 HB THR A 43 4.046 14.924 2.507 1.00 40.11 H new ATOM 0 HG1 THR A 43 2.846 14.007 4.317 1.00 65.21 H new ATOM 0 HG21 THR A 43 2.199 16.185 3.594 1.00 63.23 H new ATOM 0 HG22 THR A 43 2.296 16.524 1.850 1.00 63.23 H new ATOM 0 HG23 THR A 43 1.038 15.432 2.475 1.00 63.23 H new ATOM 698 N GLU A 44 5.161 13.269 0.448 1.00 63.43 N ATOM 699 CA GLU A 44 6.305 12.397 0.153 1.00 1.41 C ATOM 700 C GLU A 44 6.813 11.694 1.432 1.00 30.31 C ATOM 701 O GLU A 44 7.278 10.549 1.378 1.00 64.30 O ATOM 702 CB GLU A 44 7.425 13.235 -0.525 1.00 65.30 C ATOM 703 CG GLU A 44 8.559 12.399 -1.146 1.00 61.20 C ATOM 704 CD GLU A 44 9.610 13.251 -1.882 1.00 72.40 C ATOM 705 OE1 GLU A 44 9.383 13.614 -3.048 1.00 63.02 O ATOM 706 OE2 GLU A 44 10.658 13.571 -1.290 1.00 63.03 O ATOM 0 H GLU A 44 5.378 14.262 0.358 1.00 63.43 H new ATOM 0 HA GLU A 44 5.992 11.611 -0.534 1.00 1.41 H new ATOM 0 HB2 GLU A 44 6.978 13.853 -1.303 1.00 65.30 H new ATOM 0 HB3 GLU A 44 7.853 13.912 0.214 1.00 65.30 H new ATOM 0 HG2 GLU A 44 9.051 11.826 -0.360 1.00 61.20 H new ATOM 0 HG3 GLU A 44 8.131 11.680 -1.844 1.00 61.20 H new ATOM 713 N LYS A 45 6.672 12.381 2.581 1.00 54.12 N ATOM 714 CA LYS A 45 7.054 11.844 3.906 1.00 62.15 C ATOM 715 C LYS A 45 6.116 10.700 4.344 1.00 4.20 C ATOM 716 O LYS A 45 6.545 9.741 5.011 1.00 3.42 O ATOM 717 CB LYS A 45 7.023 12.974 4.965 1.00 31.15 C ATOM 718 CG LYS A 45 7.409 12.523 6.398 1.00 41.35 C ATOM 719 CD LYS A 45 7.408 13.674 7.424 1.00 24.40 C ATOM 720 CE LYS A 45 8.427 14.781 7.088 1.00 52.31 C ATOM 721 NZ LYS A 45 9.810 14.245 6.951 1.00 2.20 N ATOM 0 H LYS A 45 6.290 13.326 2.620 1.00 54.12 H new ATOM 0 HA LYS A 45 8.065 11.444 3.824 1.00 62.15 H new ATOM 0 HB2 LYS A 45 7.702 13.767 4.652 1.00 31.15 H new ATOM 0 HB3 LYS A 45 6.022 13.404 4.990 1.00 31.15 H new ATOM 0 HG2 LYS A 45 6.713 11.752 6.728 1.00 41.35 H new ATOM 0 HG3 LYS A 45 8.400 12.069 6.373 1.00 41.35 H new ATOM 0 HD2 LYS A 45 6.410 14.109 7.473 1.00 24.40 H new ATOM 0 HD3 LYS A 45 7.629 13.272 8.413 1.00 24.40 H new ATOM 0 HE2 LYS A 45 8.135 15.272 6.160 1.00 52.31 H new ATOM 0 HE3 LYS A 45 8.408 15.540 7.870 1.00 52.31 H new ATOM 0 HZ1 LYS A 45 10.481 15.034 6.860 1.00 2.20 H new ATOM 0 HZ2 LYS A 45 10.049 13.682 7.792 1.00 2.20 H new ATOM 0 HZ3 LYS A 45 9.867 13.643 6.105 1.00 2.20 H new ATOM 735 N GLU A 46 4.848 10.791 3.927 1.00 32.21 N ATOM 736 CA GLU A 46 3.785 9.868 4.349 1.00 22.14 C ATOM 737 C GLU A 46 3.961 8.525 3.625 1.00 32.20 C ATOM 738 O GLU A 46 3.755 7.456 4.214 1.00 25.12 O ATOM 739 CB GLU A 46 2.418 10.515 4.023 1.00 63.24 C ATOM 740 CG GLU A 46 1.178 9.672 4.363 1.00 4.32 C ATOM 741 CD GLU A 46 -0.138 10.384 4.009 1.00 12.31 C ATOM 742 OE1 GLU A 46 -0.320 10.780 2.839 1.00 44.21 O ATOM 743 OE2 GLU A 46 -0.995 10.566 4.892 1.00 1.15 O ATOM 0 H GLU A 46 4.527 11.513 3.282 1.00 32.21 H new ATOM 0 HA GLU A 46 3.836 9.678 5.421 1.00 22.14 H new ATOM 0 HB2 GLU A 46 2.348 11.461 4.560 1.00 63.24 H new ATOM 0 HB3 GLU A 46 2.393 10.750 2.959 1.00 63.24 H new ATOM 0 HG2 GLU A 46 1.230 8.724 3.827 1.00 4.32 H new ATOM 0 HG3 GLU A 46 1.184 9.437 5.427 1.00 4.32 H new ATOM 750 N ALA A 47 4.400 8.618 2.348 1.00 31.02 N ATOM 751 CA ALA A 47 4.698 7.463 1.478 1.00 2.52 C ATOM 752 C ALA A 47 5.692 6.485 2.125 1.00 62.51 C ATOM 753 O ALA A 47 5.553 5.270 1.978 1.00 64.31 O ATOM 754 CB ALA A 47 5.272 7.947 0.135 1.00 13.14 C ATOM 0 H ALA A 47 4.559 9.515 1.888 1.00 31.02 H new ATOM 0 HA ALA A 47 3.758 6.934 1.320 1.00 2.52 H new ATOM 0 HB1 ALA A 47 5.488 7.087 -0.499 1.00 13.14 H new ATOM 0 HB2 ALA A 47 4.545 8.590 -0.361 1.00 13.14 H new ATOM 0 HB3 ALA A 47 6.190 8.507 0.312 1.00 13.14 H new ATOM 760 N GLU A 48 6.676 7.048 2.849 1.00 71.33 N ATOM 761 CA GLU A 48 7.788 6.289 3.453 1.00 15.24 C ATOM 762 C GLU A 48 7.275 5.298 4.515 1.00 34.15 C ATOM 763 O GLU A 48 7.788 4.185 4.630 1.00 73.21 O ATOM 764 CB GLU A 48 8.825 7.268 4.066 1.00 11.21 C ATOM 765 CG GLU A 48 9.302 8.363 3.090 1.00 43.32 C ATOM 766 CD GLU A 48 10.410 9.254 3.674 1.00 11.24 C ATOM 767 OE1 GLU A 48 10.092 10.241 4.371 1.00 34.22 O ATOM 768 OE2 GLU A 48 11.604 8.962 3.450 1.00 70.04 O ATOM 0 H GLU A 48 6.723 8.050 3.033 1.00 71.33 H new ATOM 0 HA GLU A 48 8.274 5.707 2.670 1.00 15.24 H new ATOM 0 HB2 GLU A 48 8.387 7.743 4.944 1.00 11.21 H new ATOM 0 HB3 GLU A 48 9.689 6.699 4.409 1.00 11.21 H new ATOM 0 HG2 GLU A 48 9.666 7.893 2.177 1.00 43.32 H new ATOM 0 HG3 GLU A 48 8.453 8.987 2.811 1.00 43.32 H new ATOM 775 N LYS A 49 6.235 5.711 5.251 1.00 3.24 N ATOM 776 CA LYS A 49 5.614 4.894 6.317 1.00 41.53 C ATOM 777 C LYS A 49 4.550 3.946 5.723 1.00 24.31 C ATOM 778 O LYS A 49 4.324 2.858 6.244 1.00 4.31 O ATOM 779 CB LYS A 49 4.963 5.824 7.367 1.00 2.50 C ATOM 780 CG LYS A 49 5.887 6.941 7.887 1.00 40.22 C ATOM 781 CD LYS A 49 5.206 7.817 8.964 1.00 44.40 C ATOM 782 CE LYS A 49 6.119 8.950 9.466 1.00 45.11 C ATOM 783 NZ LYS A 49 7.436 8.433 9.927 1.00 41.11 N ATOM 0 H LYS A 49 5.795 6.623 5.128 1.00 3.24 H new ATOM 0 HA LYS A 49 6.386 4.290 6.794 1.00 41.53 H new ATOM 0 HB2 LYS A 49 4.074 6.279 6.930 1.00 2.50 H new ATOM 0 HB3 LYS A 49 4.631 5.221 8.212 1.00 2.50 H new ATOM 0 HG2 LYS A 49 6.791 6.496 8.303 1.00 40.22 H new ATOM 0 HG3 LYS A 49 6.196 7.571 7.053 1.00 40.22 H new ATOM 0 HD2 LYS A 49 4.292 8.246 8.554 1.00 44.40 H new ATOM 0 HD3 LYS A 49 4.914 7.190 9.806 1.00 44.40 H new ATOM 0 HE2 LYS A 49 6.272 9.675 8.667 1.00 45.11 H new ATOM 0 HE3 LYS A 49 5.628 9.477 10.284 1.00 45.11 H new ATOM 0 HZ1 LYS A 49 7.964 9.196 10.397 1.00 41.11 H new ATOM 0 HZ2 LYS A 49 7.287 7.652 10.597 1.00 41.11 H new ATOM 0 HZ3 LYS A 49 7.979 8.089 9.110 1.00 41.11 H new ATOM 797 N MET A 50 3.872 4.443 4.674 1.00 42.15 N ATOM 798 CA MET A 50 2.861 3.682 3.898 1.00 0.52 C ATOM 799 C MET A 50 3.435 2.355 3.369 1.00 4.32 C ATOM 800 O MET A 50 2.967 1.275 3.749 1.00 44.10 O ATOM 801 CB MET A 50 2.275 4.537 2.744 1.00 60.25 C ATOM 802 CG MET A 50 1.254 5.576 3.199 1.00 61.40 C ATOM 803 SD MET A 50 0.610 6.545 1.832 1.00 14.43 S ATOM 804 CE MET A 50 -0.889 7.196 2.559 1.00 22.54 C ATOM 0 H MET A 50 4.008 5.394 4.332 1.00 42.15 H new ATOM 0 HA MET A 50 2.046 3.438 4.579 1.00 0.52 H new ATOM 0 HB2 MET A 50 3.092 5.045 2.231 1.00 60.25 H new ATOM 0 HB3 MET A 50 1.805 3.875 2.017 1.00 60.25 H new ATOM 0 HG2 MET A 50 0.430 5.074 3.705 1.00 61.40 H new ATOM 0 HG3 MET A 50 1.717 6.242 3.927 1.00 61.40 H new ATOM 0 HE1 MET A 50 -1.340 7.918 1.878 1.00 22.54 H new ATOM 0 HE2 MET A 50 -1.590 6.381 2.739 1.00 22.54 H new ATOM 0 HE3 MET A 50 -0.652 7.687 3.503 1.00 22.54 H new ATOM 814 N GLU A 51 4.476 2.453 2.533 1.00 22.01 N ATOM 815 CA GLU A 51 5.174 1.280 1.969 1.00 43.45 C ATOM 816 C GLU A 51 5.875 0.431 3.060 1.00 74.44 C ATOM 817 O GLU A 51 6.119 -0.756 2.852 1.00 15.10 O ATOM 818 CB GLU A 51 6.195 1.723 0.901 1.00 41.12 C ATOM 819 CG GLU A 51 7.314 2.641 1.420 1.00 34.21 C ATOM 820 CD GLU A 51 8.294 3.081 0.326 1.00 61.32 C ATOM 821 OE1 GLU A 51 7.833 3.538 -0.747 1.00 71.11 O ATOM 822 OE2 GLU A 51 9.526 3.019 0.547 1.00 52.21 O ATOM 0 H GLU A 51 4.862 3.346 2.225 1.00 22.01 H new ATOM 0 HA GLU A 51 4.416 0.649 1.504 1.00 43.45 H new ATOM 0 HB2 GLU A 51 6.648 0.835 0.461 1.00 41.12 H new ATOM 0 HB3 GLU A 51 5.663 2.239 0.102 1.00 41.12 H new ATOM 0 HG2 GLU A 51 6.867 3.525 1.875 1.00 34.21 H new ATOM 0 HG3 GLU A 51 7.865 2.123 2.205 1.00 34.21 H new ATOM 829 N LYS A 52 6.202 1.053 4.208 1.00 52.24 N ATOM 830 CA LYS A 52 6.837 0.373 5.356 1.00 2.14 C ATOM 831 C LYS A 52 5.796 -0.534 6.059 1.00 31.43 C ATOM 832 O LYS A 52 6.114 -1.655 6.474 1.00 24.35 O ATOM 833 CB LYS A 52 7.437 1.455 6.318 1.00 45.14 C ATOM 834 CG LYS A 52 8.641 1.014 7.184 1.00 30.41 C ATOM 835 CD LYS A 52 8.275 0.088 8.364 1.00 45.33 C ATOM 836 CE LYS A 52 9.498 -0.286 9.211 1.00 63.32 C ATOM 837 NZ LYS A 52 10.176 0.909 9.785 1.00 50.02 N ATOM 0 H LYS A 52 6.033 2.046 4.368 1.00 52.24 H new ATOM 0 HA LYS A 52 7.654 -0.269 5.026 1.00 2.14 H new ATOM 0 HB2 LYS A 52 7.743 2.313 5.719 1.00 45.14 H new ATOM 0 HB3 LYS A 52 6.645 1.797 6.984 1.00 45.14 H new ATOM 0 HG2 LYS A 52 9.363 0.502 6.547 1.00 30.41 H new ATOM 0 HG3 LYS A 52 9.136 1.903 7.576 1.00 30.41 H new ATOM 0 HD2 LYS A 52 7.536 0.582 8.995 1.00 45.33 H new ATOM 0 HD3 LYS A 52 7.810 -0.820 7.980 1.00 45.33 H new ATOM 0 HE2 LYS A 52 9.188 -0.948 10.019 1.00 63.32 H new ATOM 0 HE3 LYS A 52 10.206 -0.842 8.597 1.00 63.32 H new ATOM 0 HZ1 LYS A 52 10.863 0.606 10.505 1.00 50.02 H new ATOM 0 HZ2 LYS A 52 10.671 1.424 9.029 1.00 50.02 H new ATOM 0 HZ3 LYS A 52 9.468 1.533 10.223 1.00 50.02 H new ATOM 851 N ALA A 53 4.553 -0.024 6.166 1.00 15.15 N ATOM 852 CA ALA A 53 3.397 -0.760 6.728 1.00 24.40 C ATOM 853 C ALA A 53 3.048 -1.964 5.840 1.00 30.01 C ATOM 854 O ALA A 53 2.595 -3.005 6.328 1.00 22.14 O ATOM 855 CB ALA A 53 2.190 0.180 6.891 1.00 22.45 C ATOM 0 H ALA A 53 4.318 0.921 5.862 1.00 15.15 H new ATOM 0 HA ALA A 53 3.665 -1.136 7.715 1.00 24.40 H new ATOM 0 HB1 ALA A 53 1.349 -0.376 7.305 1.00 22.45 H new ATOM 0 HB2 ALA A 53 2.452 0.996 7.565 1.00 22.45 H new ATOM 0 HB3 ALA A 53 1.912 0.587 5.919 1.00 22.45 H new ATOM 861 N VAL A 54 3.258 -1.786 4.527 1.00 1.31 N ATOM 862 CA VAL A 54 3.182 -2.866 3.532 1.00 2.30 C ATOM 863 C VAL A 54 4.237 -3.951 3.825 1.00 51.35 C ATOM 864 O VAL A 54 3.915 -5.139 3.865 1.00 43.22 O ATOM 865 CB VAL A 54 3.391 -2.294 2.082 1.00 43.12 C ATOM 866 CG1 VAL A 54 3.471 -3.416 1.025 1.00 24.23 C ATOM 867 CG2 VAL A 54 2.286 -1.266 1.732 1.00 12.55 C ATOM 0 H VAL A 54 3.488 -0.878 4.122 1.00 1.31 H new ATOM 0 HA VAL A 54 2.191 -3.316 3.595 1.00 2.30 H new ATOM 0 HB VAL A 54 4.351 -1.778 2.068 1.00 43.12 H new ATOM 0 HG11 VAL A 54 3.616 -2.976 0.038 1.00 24.23 H new ATOM 0 HG12 VAL A 54 4.309 -4.074 1.256 1.00 24.23 H new ATOM 0 HG13 VAL A 54 2.545 -3.991 1.034 1.00 24.23 H new ATOM 0 HG21 VAL A 54 2.451 -0.884 0.725 1.00 12.55 H new ATOM 0 HG22 VAL A 54 1.310 -1.749 1.782 1.00 12.55 H new ATOM 0 HG23 VAL A 54 2.318 -0.441 2.443 1.00 12.55 H new ATOM 877 N LYS A 55 5.498 -3.511 4.024 1.00 62.35 N ATOM 878 CA LYS A 55 6.637 -4.410 4.311 1.00 62.13 C ATOM 879 C LYS A 55 6.447 -5.200 5.625 1.00 14.52 C ATOM 880 O LYS A 55 7.029 -6.280 5.787 1.00 70.04 O ATOM 881 CB LYS A 55 7.976 -3.626 4.322 1.00 12.32 C ATOM 882 CG LYS A 55 8.358 -3.029 2.958 1.00 24.22 C ATOM 883 CD LYS A 55 9.671 -2.224 3.009 1.00 1.04 C ATOM 884 CE LYS A 55 10.910 -3.107 3.263 1.00 33.21 C ATOM 885 NZ LYS A 55 11.124 -4.116 2.190 1.00 12.41 N ATOM 0 H LYS A 55 5.755 -2.524 3.990 1.00 62.35 H new ATOM 0 HA LYS A 55 6.674 -5.142 3.504 1.00 62.13 H new ATOM 0 HB2 LYS A 55 7.909 -2.821 5.054 1.00 12.32 H new ATOM 0 HB3 LYS A 55 8.773 -4.292 4.653 1.00 12.32 H new ATOM 0 HG2 LYS A 55 8.457 -3.833 2.229 1.00 24.22 H new ATOM 0 HG3 LYS A 55 7.553 -2.382 2.611 1.00 24.22 H new ATOM 0 HD2 LYS A 55 9.800 -1.689 2.068 1.00 1.04 H new ATOM 0 HD3 LYS A 55 9.600 -1.473 3.795 1.00 1.04 H new ATOM 0 HE2 LYS A 55 11.793 -2.473 3.342 1.00 33.21 H new ATOM 0 HE3 LYS A 55 10.798 -3.618 4.219 1.00 33.21 H new ATOM 0 HZ1 LYS A 55 12.106 -4.456 2.224 1.00 12.41 H new ATOM 0 HZ2 LYS A 55 10.476 -4.917 2.332 1.00 12.41 H new ATOM 0 HZ3 LYS A 55 10.940 -3.682 1.263 1.00 12.41 H new ATOM 899 N LYS A 56 5.623 -4.664 6.545 1.00 52.24 N ATOM 900 CA LYS A 56 5.213 -5.375 7.774 1.00 14.43 C ATOM 901 C LYS A 56 4.402 -6.636 7.425 1.00 73.42 C ATOM 902 O LYS A 56 4.632 -7.713 7.990 1.00 62.53 O ATOM 903 CB LYS A 56 4.377 -4.442 8.693 1.00 23.02 C ATOM 904 CG LYS A 56 5.171 -3.271 9.308 1.00 30.52 C ATOM 905 CD LYS A 56 6.289 -3.750 10.268 1.00 72.10 C ATOM 906 CE LYS A 56 6.998 -2.585 10.977 1.00 44.22 C ATOM 907 NZ LYS A 56 6.054 -1.750 11.761 1.00 1.31 N ATOM 0 H LYS A 56 5.223 -3.730 6.459 1.00 52.24 H new ATOM 0 HA LYS A 56 6.114 -5.675 8.308 1.00 14.43 H new ATOM 0 HB2 LYS A 56 3.544 -4.037 8.118 1.00 23.02 H new ATOM 0 HB3 LYS A 56 3.948 -5.037 9.499 1.00 23.02 H new ATOM 0 HG2 LYS A 56 5.613 -2.677 8.508 1.00 30.52 H new ATOM 0 HG3 LYS A 56 4.487 -2.618 9.850 1.00 30.52 H new ATOM 0 HD2 LYS A 56 5.860 -4.418 11.015 1.00 72.10 H new ATOM 0 HD3 LYS A 56 7.022 -4.329 9.706 1.00 72.10 H new ATOM 0 HE2 LYS A 56 7.768 -2.980 11.640 1.00 44.22 H new ATOM 0 HE3 LYS A 56 7.502 -1.964 10.237 1.00 44.22 H new ATOM 0 HZ1 LYS A 56 6.448 -1.576 12.708 1.00 1.31 H new ATOM 0 HZ2 LYS A 56 5.907 -0.842 11.275 1.00 1.31 H new ATOM 0 HZ3 LYS A 56 5.144 -2.246 11.850 1.00 1.31 H new ATOM 921 N VAL A 57 3.468 -6.475 6.478 1.00 55.44 N ATOM 922 CA VAL A 57 2.623 -7.575 5.979 1.00 3.01 C ATOM 923 C VAL A 57 3.446 -8.529 5.089 1.00 64.11 C ATOM 924 O VAL A 57 3.295 -9.752 5.161 1.00 30.13 O ATOM 925 CB VAL A 57 1.412 -7.015 5.137 1.00 2.34 C ATOM 926 CG1 VAL A 57 0.509 -8.158 4.608 1.00 43.14 C ATOM 927 CG2 VAL A 57 0.590 -5.975 5.943 1.00 51.22 C ATOM 0 H VAL A 57 3.275 -5.577 6.034 1.00 55.44 H new ATOM 0 HA VAL A 57 2.243 -8.116 6.845 1.00 3.01 H new ATOM 0 HB VAL A 57 1.831 -6.502 4.272 1.00 2.34 H new ATOM 0 HG11 VAL A 57 -0.314 -7.735 4.033 1.00 43.14 H new ATOM 0 HG12 VAL A 57 1.095 -8.819 3.970 1.00 43.14 H new ATOM 0 HG13 VAL A 57 0.110 -8.725 5.449 1.00 43.14 H new ATOM 0 HG21 VAL A 57 -0.236 -5.611 5.332 1.00 51.22 H new ATOM 0 HG22 VAL A 57 0.195 -6.443 6.845 1.00 51.22 H new ATOM 0 HG23 VAL A 57 1.232 -5.139 6.220 1.00 51.22 H new ATOM 937 N LYS A 58 4.336 -7.936 4.282 1.00 43.42 N ATOM 938 CA LYS A 58 5.023 -8.623 3.183 1.00 41.43 C ATOM 939 C LYS A 58 6.373 -7.905 2.894 1.00 55.43 C ATOM 940 O LYS A 58 6.392 -6.881 2.203 1.00 42.32 O ATOM 941 CB LYS A 58 4.090 -8.711 1.933 1.00 2.12 C ATOM 942 CG LYS A 58 3.444 -7.377 1.476 1.00 11.34 C ATOM 943 CD LYS A 58 2.459 -7.529 0.285 1.00 44.13 C ATOM 944 CE LYS A 58 3.127 -7.808 -1.078 1.00 73.42 C ATOM 945 NZ LYS A 58 3.900 -9.077 -1.115 1.00 61.52 N ATOM 0 H LYS A 58 4.601 -6.956 4.376 1.00 43.42 H new ATOM 0 HA LYS A 58 5.256 -9.651 3.461 1.00 41.43 H new ATOM 0 HB2 LYS A 58 4.666 -9.117 1.101 1.00 2.12 H new ATOM 0 HB3 LYS A 58 3.294 -9.424 2.147 1.00 2.12 H new ATOM 0 HG2 LYS A 58 2.913 -6.934 2.319 1.00 11.34 H new ATOM 0 HG3 LYS A 58 4.234 -6.680 1.195 1.00 11.34 H new ATOM 0 HD2 LYS A 58 1.766 -8.341 0.507 1.00 44.13 H new ATOM 0 HD3 LYS A 58 1.867 -6.618 0.203 1.00 44.13 H new ATOM 0 HE2 LYS A 58 2.358 -7.838 -1.850 1.00 73.42 H new ATOM 0 HE3 LYS A 58 3.792 -6.980 -1.323 1.00 73.42 H new ATOM 0 HZ1 LYS A 58 3.930 -9.437 -2.090 1.00 61.52 H new ATOM 0 HZ2 LYS A 58 4.869 -8.903 -0.780 1.00 61.52 H new ATOM 0 HZ3 LYS A 58 3.442 -9.780 -0.500 1.00 61.52 H new ATOM 959 N PRO A 59 7.526 -8.421 3.438 1.00 4.22 N ATOM 960 CA PRO A 59 8.856 -7.745 3.333 1.00 2.01 C ATOM 961 C PRO A 59 9.371 -7.613 1.877 1.00 62.33 C ATOM 962 O PRO A 59 9.992 -6.606 1.522 1.00 23.51 O ATOM 963 CB PRO A 59 9.797 -8.646 4.185 1.00 14.32 C ATOM 964 CG PRO A 59 9.110 -9.986 4.226 1.00 42.00 C ATOM 965 CD PRO A 59 7.627 -9.680 4.234 1.00 44.03 C ATOM 0 HA PRO A 59 8.804 -6.714 3.684 1.00 2.01 H new ATOM 0 HB2 PRO A 59 10.787 -8.722 3.735 1.00 14.32 H new ATOM 0 HB3 PRO A 59 9.933 -8.240 5.187 1.00 14.32 H new ATOM 0 HG2 PRO A 59 9.381 -10.593 3.362 1.00 42.00 H new ATOM 0 HG3 PRO A 59 9.399 -10.548 5.114 1.00 42.00 H new ATOM 0 HD2 PRO A 59 7.048 -10.487 3.784 1.00 44.03 H new ATOM 0 HD3 PRO A 59 7.251 -9.545 5.248 1.00 44.03 H new ATOM 973 N ASN A 60 9.056 -8.614 1.035 1.00 43.44 N ATOM 974 CA ASN A 60 9.575 -8.722 -0.355 1.00 15.43 C ATOM 975 C ASN A 60 8.651 -8.009 -1.363 1.00 24.44 C ATOM 976 O ASN A 60 8.774 -8.229 -2.580 1.00 13.43 O ATOM 977 CB ASN A 60 9.714 -10.223 -0.737 1.00 1.54 C ATOM 978 CG ASN A 60 10.621 -11.003 0.214 1.00 5.51 C ATOM 979 OD1 ASN A 60 10.172 -11.497 1.245 1.00 41.33 O ATOM 980 ND2 ASN A 60 11.889 -11.139 -0.130 1.00 41.11 N ATOM 0 H ASN A 60 8.432 -9.378 1.294 1.00 43.44 H new ATOM 0 HA ASN A 60 10.549 -8.234 -0.395 1.00 15.43 H new ATOM 0 HB2 ASN A 60 8.726 -10.683 -0.745 1.00 1.54 H new ATOM 0 HB3 ASN A 60 10.109 -10.299 -1.750 1.00 1.54 H new ATOM 0 HD21 ASN A 60 12.526 -11.666 0.467 1.00 41.11 H new ATOM 0 HD22 ASN A 60 12.231 -10.717 -0.993 1.00 41.11 H new ATOM 987 N ALA A 61 7.744 -7.154 -0.846 1.00 75.21 N ATOM 988 CA ALA A 61 6.760 -6.413 -1.657 1.00 72.03 C ATOM 989 C ALA A 61 7.435 -5.609 -2.783 1.00 60.12 C ATOM 990 O ALA A 61 8.218 -4.695 -2.509 1.00 55.23 O ATOM 991 CB ALA A 61 5.958 -5.469 -0.746 1.00 71.51 C ATOM 0 H ALA A 61 7.675 -6.958 0.153 1.00 75.21 H new ATOM 0 HA ALA A 61 6.093 -7.136 -2.126 1.00 72.03 H new ATOM 0 HB1 ALA A 61 5.230 -4.920 -1.342 1.00 71.51 H new ATOM 0 HB2 ALA A 61 5.439 -6.052 0.015 1.00 71.51 H new ATOM 0 HB3 ALA A 61 6.637 -4.765 -0.264 1.00 71.51 H new ATOM 997 N THR A 62 7.156 -5.975 -4.045 1.00 43.43 N ATOM 998 CA THR A 62 7.613 -5.205 -5.203 1.00 24.31 C ATOM 999 C THR A 62 6.800 -3.900 -5.252 1.00 62.20 C ATOM 1000 O THR A 62 5.619 -3.906 -5.610 1.00 74.44 O ATOM 1001 CB THR A 62 7.457 -6.021 -6.536 1.00 22.45 C ATOM 1002 OG1 THR A 62 8.129 -7.288 -6.404 1.00 25.13 O ATOM 1003 CG2 THR A 62 8.037 -5.262 -7.750 1.00 21.44 C ATOM 0 H THR A 62 6.613 -6.804 -4.285 1.00 43.43 H new ATOM 0 HA THR A 62 8.675 -4.982 -5.102 1.00 24.31 H new ATOM 0 HB THR A 62 6.391 -6.169 -6.711 1.00 22.45 H new ATOM 0 HG1 THR A 62 8.031 -7.799 -7.235 1.00 25.13 H new ATOM 0 HG21 THR A 62 7.908 -5.863 -8.650 1.00 21.44 H new ATOM 0 HG22 THR A 62 7.515 -4.313 -7.869 1.00 21.44 H new ATOM 0 HG23 THR A 62 9.098 -5.074 -7.588 1.00 21.44 H new ATOM 1011 N ILE A 63 7.421 -2.802 -4.794 1.00 43.32 N ATOM 1012 CA ILE A 63 6.781 -1.485 -4.694 1.00 70.42 C ATOM 1013 C ILE A 63 7.356 -0.573 -5.782 1.00 5.44 C ATOM 1014 O ILE A 63 8.579 -0.440 -5.899 1.00 5.21 O ATOM 1015 CB ILE A 63 7.001 -0.878 -3.250 1.00 34.14 C ATOM 1016 CG1 ILE A 63 6.409 -1.858 -2.173 1.00 63.42 C ATOM 1017 CG2 ILE A 63 6.384 0.544 -3.123 1.00 13.01 C ATOM 1018 CD1 ILE A 63 6.741 -1.534 -0.727 1.00 45.52 C ATOM 0 H ILE A 63 8.391 -2.806 -4.480 1.00 43.32 H new ATOM 0 HA ILE A 63 5.706 -1.578 -4.846 1.00 70.42 H new ATOM 0 HB ILE A 63 8.072 -0.769 -3.079 1.00 34.14 H new ATOM 0 HG12 ILE A 63 5.325 -1.874 -2.282 1.00 63.42 H new ATOM 0 HG13 ILE A 63 6.766 -2.865 -2.391 1.00 63.42 H new ATOM 0 HG21 ILE A 63 6.556 0.927 -2.117 1.00 13.01 H new ATOM 0 HG22 ILE A 63 6.851 1.209 -3.849 1.00 13.01 H new ATOM 0 HG23 ILE A 63 5.312 0.494 -3.314 1.00 13.01 H new ATOM 0 HD11 ILE A 63 6.281 -2.275 -0.073 1.00 45.52 H new ATOM 0 HD12 ILE A 63 7.822 -1.550 -0.590 1.00 45.52 H new ATOM 0 HD13 ILE A 63 6.358 -0.544 -0.479 1.00 45.52 H new ATOM 1030 N ARG A 64 6.465 0.024 -6.586 1.00 61.40 N ATOM 1031 CA ARG A 64 6.839 0.928 -7.680 1.00 53.22 C ATOM 1032 C ARG A 64 6.625 2.356 -7.191 1.00 14.43 C ATOM 1033 O ARG A 64 5.477 2.785 -7.012 1.00 5.35 O ATOM 1034 CB ARG A 64 5.995 0.662 -8.963 1.00 32.23 C ATOM 1035 CG ARG A 64 6.020 -0.798 -9.469 1.00 65.35 C ATOM 1036 CD ARG A 64 7.437 -1.326 -9.764 1.00 64.50 C ATOM 1037 NE ARG A 64 8.162 -0.478 -10.728 1.00 11.31 N ATOM 1038 CZ ARG A 64 8.133 -0.607 -12.068 1.00 43.22 C ATOM 1039 NH1 ARG A 64 7.420 -1.566 -12.649 1.00 63.20 N ATOM 1040 NH2 ARG A 64 8.829 0.229 -12.815 1.00 42.53 N ATOM 0 H ARG A 64 5.458 -0.109 -6.494 1.00 61.40 H new ATOM 0 HA ARG A 64 7.882 0.761 -7.950 1.00 53.22 H new ATOM 0 HB2 ARG A 64 4.961 0.945 -8.765 1.00 32.23 H new ATOM 0 HB3 ARG A 64 6.356 1.313 -9.759 1.00 32.23 H new ATOM 0 HG2 ARG A 64 5.550 -1.440 -8.724 1.00 65.35 H new ATOM 0 HG3 ARG A 64 5.419 -0.870 -10.375 1.00 65.35 H new ATOM 0 HD2 ARG A 64 8.003 -1.380 -8.834 1.00 64.50 H new ATOM 0 HD3 ARG A 64 7.370 -2.341 -10.156 1.00 64.50 H new ATOM 0 HE ARG A 64 8.737 0.273 -10.346 1.00 11.31 H new ATOM 0 HH11 ARG A 64 6.883 -2.219 -12.078 1.00 63.20 H new ATOM 0 HH12 ARG A 64 7.410 -1.649 -13.666 1.00 63.20 H new ATOM 0 HH21 ARG A 64 9.383 0.965 -12.376 1.00 42.53 H new ATOM 0 HH22 ARG A 64 8.813 0.139 -13.831 1.00 42.53 H new ATOM 1054 N LYS A 65 7.729 3.068 -6.934 1.00 65.02 N ATOM 1055 CA LYS A 65 7.682 4.460 -6.498 1.00 15.23 C ATOM 1056 C LYS A 65 7.509 5.349 -7.723 1.00 13.42 C ATOM 1057 O LYS A 65 8.460 5.584 -8.476 1.00 24.30 O ATOM 1058 CB LYS A 65 8.996 4.827 -5.774 1.00 73.13 C ATOM 1059 CG LYS A 65 9.236 4.089 -4.443 1.00 3.52 C ATOM 1060 CD LYS A 65 10.707 4.219 -3.983 1.00 3.43 C ATOM 1061 CE LYS A 65 10.917 3.840 -2.519 1.00 31.03 C ATOM 1062 NZ LYS A 65 10.212 4.776 -1.627 1.00 14.52 N ATOM 0 H LYS A 65 8.674 2.693 -7.023 1.00 65.02 H new ATOM 0 HA LYS A 65 6.848 4.604 -5.811 1.00 15.23 H new ATOM 0 HB2 LYS A 65 9.831 4.619 -6.443 1.00 73.13 H new ATOM 0 HB3 LYS A 65 9.000 5.900 -5.583 1.00 73.13 H new ATOM 0 HG2 LYS A 65 8.576 4.495 -3.676 1.00 3.52 H new ATOM 0 HG3 LYS A 65 8.981 3.036 -4.558 1.00 3.52 H new ATOM 0 HD2 LYS A 65 11.334 3.584 -4.609 1.00 3.43 H new ATOM 0 HD3 LYS A 65 11.039 5.246 -4.137 1.00 3.43 H new ATOM 0 HE2 LYS A 65 10.557 2.826 -2.347 1.00 31.03 H new ATOM 0 HE3 LYS A 65 11.982 3.843 -2.288 1.00 31.03 H new ATOM 0 HZ1 LYS A 65 10.656 4.760 -0.686 1.00 14.52 H new ATOM 0 HZ2 LYS A 65 10.267 5.738 -2.019 1.00 14.52 H new ATOM 0 HZ3 LYS A 65 9.215 4.492 -1.544 1.00 14.52 H new ATOM 1076 N THR A 66 6.291 5.808 -7.932 1.00 74.23 N ATOM 1077 CA THR A 66 5.975 6.802 -8.940 1.00 34.43 C ATOM 1078 C THR A 66 5.050 7.845 -8.289 1.00 10.53 C ATOM 1079 O THR A 66 4.952 7.903 -7.057 1.00 63.52 O ATOM 1080 CB THR A 66 5.362 6.105 -10.221 1.00 64.43 C ATOM 1081 OG1 THR A 66 5.159 7.065 -11.269 1.00 65.33 O ATOM 1082 CG2 THR A 66 4.042 5.367 -9.932 1.00 25.51 C ATOM 0 H THR A 66 5.480 5.496 -7.398 1.00 74.23 H new ATOM 0 HA THR A 66 6.866 7.320 -9.296 1.00 34.43 H new ATOM 0 HB THR A 66 6.088 5.357 -10.539 1.00 64.43 H new ATOM 0 HG1 THR A 66 4.781 6.617 -12.054 1.00 65.33 H new ATOM 0 HG21 THR A 66 3.672 4.910 -10.850 1.00 25.51 H new ATOM 0 HG22 THR A 66 4.214 4.592 -9.185 1.00 25.51 H new ATOM 0 HG23 THR A 66 3.304 6.075 -9.556 1.00 25.51 H new ATOM 1090 N GLY A 67 4.449 8.703 -9.098 1.00 5.24 N ATOM 1091 CA GLY A 67 3.565 9.760 -8.619 1.00 71.32 C ATOM 1092 C GLY A 67 3.514 10.846 -9.654 1.00 50.40 C ATOM 1093 O GLY A 67 3.840 12.006 -9.374 1.00 72.23 O ATOM 0 H GLY A 67 4.560 8.688 -10.112 1.00 5.24 H new ATOM 0 HA2 GLY A 67 2.566 9.364 -8.436 1.00 71.32 H new ATOM 0 HA3 GLY A 67 3.929 10.157 -7.671 1.00 71.32 H new ATOM 1097 N GLY A 68 3.161 10.423 -10.884 1.00 54.31 N ATOM 1098 CA GLY A 68 3.162 11.287 -12.057 1.00 43.00 C ATOM 1099 C GLY A 68 2.104 12.372 -11.977 1.00 0.31 C ATOM 1100 O GLY A 68 1.011 12.228 -12.536 1.00 63.43 O ATOM 0 H GLY A 68 2.868 9.466 -11.081 1.00 54.31 H new ATOM 0 HA2 GLY A 68 4.144 11.748 -12.165 1.00 43.00 H new ATOM 0 HA3 GLY A 68 2.993 10.684 -12.949 1.00 43.00 H new ATOM 1104 N SER A 69 2.434 13.449 -11.251 1.00 74.33 N ATOM 1105 CA SER A 69 1.590 14.629 -11.109 1.00 73.12 C ATOM 1106 C SER A 69 1.505 15.351 -12.470 1.00 53.30 C ATOM 1107 O SER A 69 0.408 15.707 -12.919 1.00 13.11 O ATOM 1108 CB SER A 69 2.169 15.529 -9.988 1.00 51.24 C ATOM 1109 OG SER A 69 3.547 15.799 -10.204 1.00 21.50 O ATOM 0 H SER A 69 3.313 13.519 -10.739 1.00 74.33 H new ATOM 0 HA SER A 69 0.575 14.358 -10.819 1.00 73.12 H new ATOM 0 HB2 SER A 69 1.614 16.466 -9.948 1.00 51.24 H new ATOM 0 HB3 SER A 69 2.039 15.040 -9.022 1.00 51.24 H new ATOM 0 HG SER A 69 3.885 16.370 -9.483 1.00 21.50 H new ATOM 1115 N LEU A 70 2.695 15.528 -13.118 1.00 34.02 N ATOM 1116 CA LEU A 70 2.833 15.989 -14.532 1.00 42.24 C ATOM 1117 C LEU A 70 2.089 17.316 -14.776 1.00 3.31 C ATOM 1118 O LEU A 70 1.562 17.565 -15.865 1.00 0.24 O ATOM 1119 CB LEU A 70 2.338 14.865 -15.490 1.00 72.12 C ATOM 1120 CG LEU A 70 3.046 13.477 -15.351 1.00 74.43 C ATOM 1121 CD1 LEU A 70 2.386 12.417 -16.256 1.00 43.12 C ATOM 1122 CD2 LEU A 70 4.566 13.580 -15.622 1.00 33.02 C ATOM 0 H LEU A 70 3.593 15.353 -12.668 1.00 34.02 H new ATOM 0 HA LEU A 70 3.885 16.188 -14.736 1.00 42.24 H new ATOM 0 HB2 LEU A 70 1.270 14.722 -15.327 1.00 72.12 H new ATOM 0 HB3 LEU A 70 2.461 15.211 -16.516 1.00 72.12 H new ATOM 0 HG LEU A 70 2.922 13.153 -14.318 1.00 74.43 H new ATOM 0 HD11 LEU A 70 2.901 11.464 -16.136 1.00 43.12 H new ATOM 0 HD12 LEU A 70 1.339 12.301 -15.976 1.00 43.12 H new ATOM 0 HD13 LEU A 70 2.451 12.736 -17.296 1.00 43.12 H new ATOM 0 HD21 LEU A 70 5.022 12.596 -15.516 1.00 33.02 H new ATOM 0 HD22 LEU A 70 4.731 13.949 -16.634 1.00 33.02 H new ATOM 0 HD23 LEU A 70 5.017 14.268 -14.907 1.00 33.02 H new ATOM 1134 N GLU A 71 2.100 18.167 -13.740 1.00 50.54 N ATOM 1135 CA GLU A 71 1.258 19.368 -13.643 1.00 13.31 C ATOM 1136 C GLU A 71 1.744 20.475 -14.588 1.00 1.45 C ATOM 1137 O GLU A 71 2.587 21.304 -14.231 1.00 72.34 O ATOM 1138 CB GLU A 71 1.214 19.847 -12.162 1.00 32.25 C ATOM 1139 CG GLU A 71 0.661 18.777 -11.196 1.00 50.13 C ATOM 1140 CD GLU A 71 0.806 19.142 -9.705 1.00 54.24 C ATOM 1141 OE1 GLU A 71 1.872 18.870 -9.111 1.00 74.11 O ATOM 1142 OE2 GLU A 71 -0.145 19.693 -9.123 1.00 33.33 O ATOM 0 H GLU A 71 2.706 18.037 -12.930 1.00 50.54 H new ATOM 0 HA GLU A 71 0.245 19.119 -13.960 1.00 13.31 H new ATOM 0 HB2 GLU A 71 2.219 20.128 -11.847 1.00 32.25 H new ATOM 0 HB3 GLU A 71 0.597 20.743 -12.094 1.00 32.25 H new ATOM 0 HG2 GLU A 71 -0.393 18.612 -11.418 1.00 50.13 H new ATOM 0 HG3 GLU A 71 1.177 17.835 -11.380 1.00 50.13 H new ATOM 1149 N HIS A 72 1.260 20.401 -15.835 1.00 73.21 N ATOM 1150 CA HIS A 72 1.404 21.469 -16.827 1.00 55.33 C ATOM 1151 C HIS A 72 0.153 22.350 -16.737 1.00 32.42 C ATOM 1152 O HIS A 72 -0.965 21.820 -16.775 1.00 34.01 O ATOM 1153 CB HIS A 72 1.585 20.879 -18.246 1.00 15.04 C ATOM 1154 CG HIS A 72 2.938 20.251 -18.492 1.00 41.20 C ATOM 1155 ND1 HIS A 72 3.943 20.881 -19.195 1.00 1.44 N ATOM 1156 CD2 HIS A 72 3.446 19.045 -18.127 1.00 21.12 C ATOM 1157 CE1 HIS A 72 5.003 20.101 -19.249 1.00 14.32 C ATOM 1158 NE2 HIS A 72 4.725 18.983 -18.610 1.00 30.45 N ATOM 0 H HIS A 72 0.752 19.588 -16.185 1.00 73.21 H new ATOM 0 HA HIS A 72 2.293 22.066 -16.625 1.00 55.33 H new ATOM 0 HB2 HIS A 72 0.813 20.128 -18.416 1.00 15.04 H new ATOM 0 HB3 HIS A 72 1.426 21.670 -18.979 1.00 15.04 H new ATOM 0 HD2 HIS A 72 2.936 18.279 -17.562 1.00 21.12 H new ATOM 0 HE1 HIS A 72 5.939 20.337 -19.734 1.00 14.32 H new ATOM 0 HE2 HIS A 72 5.363 18.195 -18.494 1.00 30.45 H new ATOM 1167 N HIS A 73 0.367 23.681 -16.615 1.00 33.05 N ATOM 1168 CA HIS A 73 -0.668 24.680 -16.258 1.00 73.30 C ATOM 1169 C HIS A 73 -1.143 24.432 -14.808 1.00 32.33 C ATOM 1170 O HIS A 73 -2.131 23.719 -14.574 1.00 42.11 O ATOM 1171 CB HIS A 73 -1.881 24.701 -17.243 1.00 41.03 C ATOM 1172 CG HIS A 73 -1.540 25.025 -18.673 1.00 51.42 C ATOM 1173 ND1 HIS A 73 -1.696 24.124 -19.702 1.00 70.00 N ATOM 1174 CD2 HIS A 73 -1.090 26.166 -19.246 1.00 42.34 C ATOM 1175 CE1 HIS A 73 -1.363 24.698 -20.839 1.00 3.13 C ATOM 1176 NE2 HIS A 73 -0.994 25.942 -20.594 1.00 22.32 N ATOM 0 H HIS A 73 1.285 24.100 -16.765 1.00 33.05 H new ATOM 0 HA HIS A 73 -0.206 25.664 -16.338 1.00 73.30 H new ATOM 0 HB2 HIS A 73 -2.369 23.727 -17.214 1.00 41.03 H new ATOM 0 HB3 HIS A 73 -2.607 25.431 -16.885 1.00 41.03 H new ATOM 0 HD2 HIS A 73 -0.850 27.086 -18.733 1.00 42.34 H new ATOM 0 HE1 HIS A 73 -1.388 24.229 -21.812 1.00 3.13 H new ATOM 0 HE2 HIS A 73 -0.689 26.621 -21.291 1.00 22.32 H new ATOM 1185 N HIS A 74 -0.388 24.975 -13.837 1.00 32.51 N ATOM 1186 CA HIS A 74 -0.721 24.879 -12.393 1.00 4.34 C ATOM 1187 C HIS A 74 -1.431 26.168 -11.921 1.00 31.04 C ATOM 1188 O HIS A 74 -1.743 27.041 -12.742 1.00 14.41 O ATOM 1189 CB HIS A 74 0.567 24.586 -11.566 1.00 22.32 C ATOM 1190 CG HIS A 74 1.679 25.601 -11.721 1.00 43.32 C ATOM 1191 ND1 HIS A 74 2.743 25.419 -12.570 1.00 10.22 N ATOM 1192 CD2 HIS A 74 1.888 26.801 -11.122 1.00 20.15 C ATOM 1193 CE1 HIS A 74 3.553 26.454 -12.493 1.00 35.51 C ATOM 1194 NE2 HIS A 74 3.057 27.307 -11.623 1.00 20.31 N ATOM 0 H HIS A 74 0.470 25.493 -14.024 1.00 32.51 H new ATOM 0 HA HIS A 74 -1.411 24.050 -12.234 1.00 4.34 H new ATOM 0 HB2 HIS A 74 0.296 24.526 -10.512 1.00 22.32 H new ATOM 0 HB3 HIS A 74 0.949 23.606 -11.853 1.00 22.32 H new ATOM 0 HD2 HIS A 74 1.250 27.269 -10.387 1.00 20.15 H new ATOM 0 HE1 HIS A 74 4.470 26.581 -13.050 1.00 35.51 H new ATOM 0 HE2 HIS A 74 3.476 28.200 -11.364 1.00 20.31 H new ATOM 1203 N HIS A 75 -1.681 26.280 -10.598 1.00 60.21 N ATOM 1204 CA HIS A 75 -2.348 27.462 -10.008 1.00 64.15 C ATOM 1205 C HIS A 75 -1.419 28.685 -10.085 1.00 73.04 C ATOM 1206 O HIS A 75 -0.521 28.858 -9.253 1.00 23.33 O ATOM 1207 CB HIS A 75 -2.809 27.190 -8.549 1.00 60.10 C ATOM 1208 CG HIS A 75 -3.955 26.215 -8.423 1.00 34.12 C ATOM 1209 ND1 HIS A 75 -4.752 26.141 -7.303 1.00 60.13 N ATOM 1210 CD2 HIS A 75 -4.433 25.269 -9.277 1.00 54.10 C ATOM 1211 CE1 HIS A 75 -5.661 25.205 -7.469 1.00 1.53 C ATOM 1212 NE2 HIS A 75 -5.487 24.662 -8.654 1.00 13.51 N ATOM 0 H HIS A 75 -1.430 25.564 -9.916 1.00 60.21 H new ATOM 0 HA HIS A 75 -3.246 27.673 -10.588 1.00 64.15 H new ATOM 0 HB2 HIS A 75 -1.961 26.810 -7.979 1.00 60.10 H new ATOM 0 HB3 HIS A 75 -3.102 28.135 -8.092 1.00 60.10 H new ATOM 0 HD2 HIS A 75 -4.051 25.041 -10.261 1.00 54.10 H new ATOM 0 HE1 HIS A 75 -6.421 24.929 -6.753 1.00 1.53 H new ATOM 0 HE2 HIS A 75 -6.050 23.907 -9.046 1.00 13.51 H new ATOM 1221 N HIS A 76 -1.626 29.480 -11.142 1.00 71.21 N ATOM 1222 CA HIS A 76 -0.834 30.676 -11.448 1.00 10.51 C ATOM 1223 C HIS A 76 -1.701 31.641 -12.267 1.00 74.24 C ATOM 1224 O HIS A 76 -2.362 31.220 -13.218 1.00 14.41 O ATOM 1225 CB HIS A 76 0.450 30.288 -12.239 1.00 5.32 C ATOM 1226 CG HIS A 76 1.343 31.453 -12.604 1.00 55.45 C ATOM 1227 ND1 HIS A 76 2.292 31.964 -11.746 1.00 64.33 N ATOM 1228 CD2 HIS A 76 1.436 32.197 -13.739 1.00 74.10 C ATOM 1229 CE1 HIS A 76 2.922 32.963 -12.329 1.00 12.24 C ATOM 1230 NE2 HIS A 76 2.422 33.123 -13.538 1.00 12.31 N ATOM 0 H HIS A 76 -2.365 29.305 -11.823 1.00 71.21 H new ATOM 0 HA HIS A 76 -0.522 31.160 -10.522 1.00 10.51 H new ATOM 0 HB2 HIS A 76 1.026 29.578 -11.645 1.00 5.32 H new ATOM 0 HB3 HIS A 76 0.155 29.773 -13.153 1.00 5.32 H new ATOM 0 HD2 HIS A 76 0.842 32.078 -14.633 1.00 74.10 H new ATOM 0 HE1 HIS A 76 3.714 33.552 -11.891 1.00 12.24 H new ATOM 0 HE2 HIS A 76 2.722 33.825 -14.215 1.00 12.31 H new ATOM 1239 N HIS A 77 -1.714 32.923 -11.878 1.00 21.30 N ATOM 1240 CA HIS A 77 -2.387 33.988 -12.643 1.00 13.41 C ATOM 1241 C HIS A 77 -1.352 34.696 -13.555 1.00 32.13 C ATOM 1242 O HIS A 77 -0.253 35.046 -13.066 1.00 23.25 O ATOM 1243 CB HIS A 77 -3.135 34.981 -11.697 1.00 34.11 C ATOM 1244 CG HIS A 77 -2.281 35.791 -10.748 1.00 13.02 C ATOM 1245 ND1 HIS A 77 -1.938 35.354 -9.490 1.00 42.32 N ATOM 1246 CD2 HIS A 77 -1.736 37.030 -10.871 1.00 64.43 C ATOM 1247 CE1 HIS A 77 -1.224 36.282 -8.883 1.00 11.32 C ATOM 1248 NE2 HIS A 77 -1.089 37.311 -9.698 1.00 24.44 N ATOM 1249 OXT HIS A 77 -1.623 34.888 -14.756 1.00 37.60 O ATOM 0 H HIS A 77 -1.260 33.253 -11.026 1.00 21.30 H new ATOM 0 HA HIS A 77 -3.154 33.549 -13.281 1.00 13.41 H new ATOM 0 HB2 HIS A 77 -3.707 35.673 -12.315 1.00 34.11 H new ATOM 0 HB3 HIS A 77 -3.853 34.412 -11.107 1.00 34.11 H new ATOM 0 HD2 HIS A 77 -1.801 37.674 -11.735 1.00 64.43 H new ATOM 0 HE1 HIS A 77 -0.817 36.211 -7.885 1.00 11.32 H new ATOM 0 HE2 HIS A 77 -0.586 38.173 -9.489 1.00 24.44 H new TER 1258 HIS A 77