USER MOD reduce.3.24.130724 H: found=0, std=0, add=731, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 731 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 14 SER OG : rot 180:sc= 0.256 USER MOD Set 1.2: A 34 SER OG : rot -34:sc= 0.345 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 158:sc= 1.17 (180deg=0.831) USER MOD Single : A 3 HIS : no HD1:sc=-0.000306 X(o=-0.00031,f=0) USER MOD Single : A 4 HIS : no HD1:sc= -0.168 X(o=-0.17,f=-0.55) USER MOD Single : A 5 HIS : no HD1:sc= -0.223 X(o=-0.22,f=-0.0011) USER MOD Single : A 6 HIS : no HD1:sc= -0.185 X(o=-0.18,f=0) USER MOD Single : A 7 HIS : no HD1:sc= 0 X(o=0,f=-0.0021) USER MOD Single : A 8 HIS : no HD1:sc=-0.00305 X(o=-0.0031,f=-0.39) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 10 HIS : no HD1:sc= 0.571 K(o=0.57,f=-3.3!) USER MOD Single : A 16 HIS : no HE2:sc= 1.25 K(o=1.3,f=-4.2!) USER MOD Single : A 18 HIS : no HE2:sc= 1.19 K(o=1.2,f=-4.7!) USER MOD Single : A 20 THR OG1 : rot -120:sc= 0.052 USER MOD Single : A 21 HIS : no HE2:sc= -0.491! C(o=-0.49!,f=-5.9!) USER MOD Single : A 23 ASN : amide:sc= -0.0116 K(o=-0.012,f=-2.4!) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 36 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 37 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 38 SER OG : rot 13:sc= 0.59 USER MOD Single : A 43 LYS NZ :NH3+ -106:sc= 1.16 (180deg=0.753) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 CYS SG : rot 180:sc= 0.171 USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 55 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 56 SER OG : rot 180:sc= 0.0123 USER MOD Single : A 57 MET CE :methyl -158:sc= -0.177 (180deg=-0.803) USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 65 SER OG : rot -8:sc= 1.1 USER MOD Single : A 67 SER OG : rot 156:sc= 0.0286 USER MOD Single : A 68 LYS NZ :NH3+ -124:sc= 1.19 (180deg=-0.793) USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 76 SER OG : rot 180:sc= 0.0535 USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 91 HIS : no HD1:sc= -0.404 K(o=-0.4,f=-0.91) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 1.369 12.691 -20.392 1.00 0.00 N ATOM 2 CA MET A 1 0.442 12.092 -21.378 1.00 52.33 C ATOM 3 C MET A 1 1.116 10.934 -22.102 1.00 51.52 C ATOM 4 O MET A 1 1.802 11.127 -23.110 1.00 52.22 O ATOM 5 CB MET A 1 -0.029 13.145 -22.391 1.00 4.21 C ATOM 6 CG MET A 1 -0.966 14.188 -21.803 1.00 63.13 C ATOM 7 SD MET A 1 -0.184 15.199 -20.532 1.00 62.22 S ATOM 8 CE MET A 1 -1.562 16.225 -20.022 1.00 35.50 C ATOM 0 H1 MET A 1 1.070 13.664 -20.181 1.00 0.00 H new ATOM 0 H2 MET A 1 1.357 12.128 -19.518 1.00 0.00 H new ATOM 0 H3 MET A 1 2.332 12.702 -20.784 1.00 0.00 H new ATOM 0 HA MET A 1 -0.429 11.715 -20.842 1.00 52.33 H new ATOM 0 HB2 MET A 1 0.843 13.648 -22.809 1.00 4.21 H new ATOM 0 HB3 MET A 1 -0.533 12.642 -23.216 1.00 4.21 H new ATOM 0 HG2 MET A 1 -1.329 14.835 -22.602 1.00 63.13 H new ATOM 0 HG3 MET A 1 -1.836 13.688 -21.378 1.00 63.13 H new ATOM 0 HE1 MET A 1 -1.237 16.907 -19.237 1.00 35.50 H new ATOM 0 HE2 MET A 1 -1.923 16.799 -20.875 1.00 35.50 H new ATOM 0 HE3 MET A 1 -2.366 15.593 -19.643 1.00 35.50 H new ATOM 20 N GLY A 2 0.933 9.734 -21.575 1.00 40.51 N ATOM 21 CA GLY A 2 1.556 8.565 -22.154 1.00 2.31 C ATOM 22 C GLY A 2 1.791 7.480 -21.126 1.00 53.45 C ATOM 23 O GLY A 2 2.929 7.234 -20.720 1.00 24.12 O ATOM 0 H GLY A 2 0.360 9.549 -20.751 1.00 40.51 H new ATOM 0 HA2 GLY A 2 0.925 8.176 -22.953 1.00 2.31 H new ATOM 0 HA3 GLY A 2 2.506 8.847 -22.607 1.00 2.31 H new ATOM 27 N HIS A 3 0.711 6.845 -20.691 1.00 60.20 N ATOM 28 CA HIS A 3 0.788 5.748 -19.735 1.00 61.21 C ATOM 29 C HIS A 3 1.467 4.540 -20.373 1.00 64.15 C ATOM 30 O HIS A 3 0.899 3.888 -21.248 1.00 5.23 O ATOM 31 CB HIS A 3 -0.622 5.376 -19.250 1.00 55.24 C ATOM 32 CG HIS A 3 -0.667 4.208 -18.309 1.00 61.24 C ATOM 33 ND1 HIS A 3 -0.608 4.338 -16.938 1.00 20.42 N ATOM 34 CD2 HIS A 3 -0.790 2.883 -18.554 1.00 43.31 C ATOM 35 CE1 HIS A 3 -0.693 3.143 -16.381 1.00 33.04 C ATOM 36 NE2 HIS A 3 -0.804 2.241 -17.340 1.00 21.10 N ATOM 0 H HIS A 3 -0.238 7.074 -20.988 1.00 60.20 H new ATOM 0 HA HIS A 3 1.382 6.066 -18.878 1.00 61.21 H new ATOM 0 HB2 HIS A 3 -1.063 6.242 -18.756 1.00 55.24 H new ATOM 0 HB3 HIS A 3 -1.244 5.152 -20.117 1.00 55.24 H new ATOM 0 HD2 HIS A 3 -0.864 2.416 -19.525 1.00 43.31 H new ATOM 0 HE1 HIS A 3 -0.675 2.938 -15.321 1.00 33.04 H new ATOM 0 HE2 HIS A 3 -0.886 1.234 -17.202 1.00 21.10 H new ATOM 45 N HIS A 4 2.677 4.244 -19.925 1.00 2.14 N ATOM 46 CA HIS A 4 3.454 3.155 -20.500 1.00 42.34 C ATOM 47 C HIS A 4 3.238 1.854 -19.735 1.00 40.15 C ATOM 48 O HIS A 4 3.397 1.801 -18.516 1.00 21.44 O ATOM 49 CB HIS A 4 4.955 3.503 -20.558 1.00 52.44 C ATOM 50 CG HIS A 4 5.536 4.039 -19.279 1.00 43.21 C ATOM 51 ND1 HIS A 4 5.903 3.244 -18.212 1.00 12.32 N ATOM 52 CD2 HIS A 4 5.827 5.309 -18.910 1.00 2.11 C ATOM 53 CE1 HIS A 4 6.389 4.001 -17.245 1.00 3.55 C ATOM 54 NE2 HIS A 4 6.352 5.256 -17.643 1.00 63.02 N ATOM 0 H HIS A 4 3.143 4.741 -19.166 1.00 2.14 H new ATOM 0 HA HIS A 4 3.100 3.012 -21.521 1.00 42.34 H new ATOM 0 HB2 HIS A 4 5.509 2.608 -20.843 1.00 52.44 H new ATOM 0 HB3 HIS A 4 5.111 4.239 -21.346 1.00 52.44 H new ATOM 0 HD2 HIS A 4 5.674 6.199 -19.503 1.00 2.11 H new ATOM 0 HE1 HIS A 4 6.754 3.651 -16.291 1.00 3.55 H new ATOM 0 HE2 HIS A 4 6.663 6.059 -17.097 1.00 63.02 H new ATOM 63 N HIS A 5 2.859 0.813 -20.462 1.00 43.12 N ATOM 64 CA HIS A 5 2.688 -0.512 -19.879 1.00 72.10 C ATOM 65 C HIS A 5 3.676 -1.482 -20.515 1.00 11.24 C ATOM 66 O HIS A 5 4.164 -1.238 -21.618 1.00 60.15 O ATOM 67 CB HIS A 5 1.242 -1.019 -20.051 1.00 33.22 C ATOM 68 CG HIS A 5 0.766 -1.106 -21.475 1.00 44.43 C ATOM 69 ND1 HIS A 5 -0.240 -0.310 -21.983 1.00 54.54 N ATOM 70 CD2 HIS A 5 1.149 -1.913 -22.495 1.00 70.24 C ATOM 71 CE1 HIS A 5 -0.453 -0.622 -23.247 1.00 44.12 C ATOM 72 NE2 HIS A 5 0.377 -1.591 -23.581 1.00 52.11 N ATOM 0 H HIS A 5 2.663 0.860 -21.462 1.00 43.12 H new ATOM 0 HA HIS A 5 2.886 -0.447 -18.809 1.00 72.10 H new ATOM 0 HB2 HIS A 5 1.162 -2.006 -19.596 1.00 33.22 H new ATOM 0 HB3 HIS A 5 0.573 -0.359 -19.499 1.00 33.22 H new ATOM 0 HD2 HIS A 5 1.919 -2.669 -22.459 1.00 70.24 H new ATOM 0 HE1 HIS A 5 -1.183 -0.162 -23.897 1.00 44.12 H new ATOM 0 HE2 HIS A 5 0.435 -2.030 -24.500 1.00 52.11 H new ATOM 81 N HIS A 6 3.986 -2.564 -19.824 1.00 22.14 N ATOM 82 CA HIS A 6 4.940 -3.542 -20.331 1.00 41.45 C ATOM 83 C HIS A 6 4.329 -4.935 -20.364 1.00 44.33 C ATOM 84 O HIS A 6 3.570 -5.315 -19.472 1.00 43.12 O ATOM 85 CB HIS A 6 6.210 -3.560 -19.470 1.00 21.34 C ATOM 86 CG HIS A 6 7.162 -2.432 -19.748 1.00 15.12 C ATOM 87 ND1 HIS A 6 8.519 -2.615 -19.881 1.00 75.03 N ATOM 88 CD2 HIS A 6 6.951 -1.106 -19.906 1.00 4.42 C ATOM 89 CE1 HIS A 6 9.099 -1.453 -20.107 1.00 72.10 C ATOM 90 NE2 HIS A 6 8.170 -0.518 -20.131 1.00 11.31 N ATOM 0 H HIS A 6 3.593 -2.790 -18.910 1.00 22.14 H new ATOM 0 HA HIS A 6 5.202 -3.249 -21.348 1.00 41.45 H new ATOM 0 HB2 HIS A 6 5.923 -3.527 -18.419 1.00 21.34 H new ATOM 0 HB3 HIS A 6 6.729 -4.505 -19.629 1.00 21.34 H new ATOM 0 HD2 HIS A 6 5.997 -0.602 -19.863 1.00 4.42 H new ATOM 0 HE1 HIS A 6 10.158 -1.294 -20.249 1.00 72.10 H new ATOM 0 HE2 HIS A 6 8.331 0.477 -20.290 1.00 11.31 H new ATOM 99 N HIS A 7 4.668 -5.694 -21.393 1.00 12.23 N ATOM 100 CA HIS A 7 4.231 -7.081 -21.501 1.00 4.11 C ATOM 101 C HIS A 7 5.218 -7.969 -20.755 1.00 14.23 C ATOM 102 O HIS A 7 5.821 -8.877 -21.331 1.00 53.31 O ATOM 103 CB HIS A 7 4.137 -7.522 -22.967 1.00 14.12 C ATOM 104 CG HIS A 7 3.178 -6.716 -23.796 1.00 64.01 C ATOM 105 ND1 HIS A 7 1.891 -7.121 -24.071 1.00 42.22 N ATOM 106 CD2 HIS A 7 3.340 -5.531 -24.429 1.00 0.23 C ATOM 107 CE1 HIS A 7 1.305 -6.222 -24.838 1.00 21.22 C ATOM 108 NE2 HIS A 7 2.162 -5.244 -25.075 1.00 12.30 N ATOM 0 H HIS A 7 5.247 -5.374 -22.170 1.00 12.23 H new ATOM 0 HA HIS A 7 3.237 -7.171 -21.062 1.00 4.11 H new ATOM 0 HB2 HIS A 7 5.128 -7.460 -23.417 1.00 14.12 H new ATOM 0 HB3 HIS A 7 3.836 -8.569 -23.000 1.00 14.12 H new ATOM 0 HD2 HIS A 7 4.232 -4.922 -24.427 1.00 0.23 H new ATOM 0 HE1 HIS A 7 0.293 -6.276 -25.211 1.00 21.22 H new ATOM 0 HE2 HIS A 7 1.980 -4.416 -25.642 1.00 12.30 H new ATOM 117 N HIS A 8 5.393 -7.681 -19.473 1.00 24.21 N ATOM 118 CA HIS A 8 6.380 -8.369 -18.655 1.00 22.23 C ATOM 119 C HIS A 8 5.785 -9.639 -18.053 1.00 75.40 C ATOM 120 O HIS A 8 4.917 -9.572 -17.179 1.00 22.05 O ATOM 121 CB HIS A 8 6.869 -7.437 -17.540 1.00 52.43 C ATOM 122 CG HIS A 8 8.026 -7.973 -16.744 1.00 1.23 C ATOM 123 ND1 HIS A 8 7.882 -8.876 -15.710 1.00 74.01 N ATOM 124 CD2 HIS A 8 9.349 -7.708 -16.826 1.00 70.44 C ATOM 125 CE1 HIS A 8 9.070 -9.136 -15.190 1.00 30.34 C ATOM 126 NE2 HIS A 8 9.978 -8.441 -15.847 1.00 52.40 N ATOM 0 H HIS A 8 4.859 -6.969 -18.974 1.00 24.21 H new ATOM 0 HA HIS A 8 7.224 -8.649 -19.285 1.00 22.23 H new ATOM 0 HB2 HIS A 8 7.158 -6.483 -17.981 1.00 52.43 H new ATOM 0 HB3 HIS A 8 6.040 -7.236 -16.862 1.00 52.43 H new ATOM 0 HD2 HIS A 8 9.825 -7.043 -17.531 1.00 70.44 H new ATOM 0 HE1 HIS A 8 9.264 -9.806 -14.365 1.00 30.34 H new ATOM 0 HE2 HIS A 8 10.981 -8.446 -15.660 1.00 52.40 H new ATOM 135 N SER A 9 6.259 -10.788 -18.522 1.00 64.13 N ATOM 136 CA SER A 9 5.802 -12.075 -18.015 1.00 74.31 C ATOM 137 C SER A 9 6.058 -12.189 -16.512 1.00 4.31 C ATOM 138 O SER A 9 7.100 -11.754 -16.013 1.00 51.53 O ATOM 139 CB SER A 9 6.508 -13.205 -18.766 1.00 1.33 C ATOM 140 OG SER A 9 7.912 -12.997 -18.805 1.00 73.22 O ATOM 0 H SER A 9 6.964 -10.853 -19.257 1.00 64.13 H new ATOM 0 HA SER A 9 4.727 -12.155 -18.179 1.00 74.31 H new ATOM 0 HB2 SER A 9 6.292 -14.157 -18.282 1.00 1.33 H new ATOM 0 HB3 SER A 9 6.119 -13.269 -19.782 1.00 1.33 H new ATOM 0 HG SER A 9 8.339 -13.735 -19.289 1.00 73.22 H new ATOM 146 N HIS A 10 5.101 -12.752 -15.789 1.00 62.00 N ATOM 147 CA HIS A 10 5.216 -12.864 -14.344 1.00 14.43 C ATOM 148 C HIS A 10 4.465 -14.088 -13.839 1.00 33.35 C ATOM 149 O HIS A 10 3.460 -14.495 -14.428 1.00 42.21 O ATOM 150 CB HIS A 10 4.660 -11.597 -13.660 1.00 62.43 C ATOM 151 CG HIS A 10 3.158 -11.490 -13.674 1.00 61.55 C ATOM 152 ND1 HIS A 10 2.433 -11.195 -14.807 1.00 21.32 N ATOM 153 CD2 HIS A 10 2.246 -11.654 -12.684 1.00 12.20 C ATOM 154 CE1 HIS A 10 1.146 -11.179 -14.516 1.00 22.41 C ATOM 155 NE2 HIS A 10 1.002 -11.458 -13.232 1.00 13.34 N ATOM 0 H HIS A 10 4.240 -13.137 -16.178 1.00 62.00 H new ATOM 0 HA HIS A 10 6.272 -12.970 -14.096 1.00 14.43 H new ATOM 0 HB2 HIS A 10 5.004 -11.577 -12.626 1.00 62.43 H new ATOM 0 HB3 HIS A 10 5.079 -10.720 -14.152 1.00 62.43 H new ATOM 0 HD2 HIS A 10 2.459 -11.895 -11.653 1.00 12.20 H new ATOM 0 HE1 HIS A 10 0.345 -10.973 -15.210 1.00 22.41 H new ATOM 0 HE2 HIS A 10 0.115 -11.518 -12.732 1.00 13.34 H new ATOM 164 N GLY A 11 4.961 -14.680 -12.767 1.00 41.04 N ATOM 165 CA GLY A 11 4.173 -15.645 -12.038 1.00 22.33 C ATOM 166 C GLY A 11 3.071 -14.921 -11.303 1.00 60.54 C ATOM 167 O GLY A 11 3.352 -14.006 -10.523 1.00 53.11 O ATOM 0 H GLY A 11 5.893 -14.510 -12.390 1.00 41.04 H new ATOM 0 HA2 GLY A 11 3.750 -16.380 -12.722 1.00 22.33 H new ATOM 0 HA3 GLY A 11 4.801 -16.190 -11.333 1.00 22.33 H new ATOM 171 N ASP A 12 1.823 -15.275 -11.570 1.00 53.11 N ATOM 172 CA ASP A 12 0.706 -14.485 -11.073 1.00 62.11 C ATOM 173 C ASP A 12 0.465 -14.729 -9.588 1.00 72.42 C ATOM 174 O ASP A 12 -0.387 -15.525 -9.192 1.00 51.21 O ATOM 175 CB ASP A 12 -0.566 -14.741 -11.879 1.00 15.33 C ATOM 176 CG ASP A 12 -1.553 -13.603 -11.735 1.00 21.12 C ATOM 177 OD1 ASP A 12 -1.348 -12.555 -12.388 1.00 52.43 O ATOM 178 OD2 ASP A 12 -2.527 -13.742 -10.968 1.00 60.02 O ATOM 0 H ASP A 12 1.560 -16.093 -12.120 1.00 53.11 H new ATOM 0 HA ASP A 12 0.975 -13.436 -11.200 1.00 62.11 H new ATOM 0 HB2 ASP A 12 -0.311 -14.872 -12.931 1.00 15.33 H new ATOM 0 HB3 ASP A 12 -1.029 -15.670 -11.545 1.00 15.33 H new ATOM 183 N ASP A 13 1.267 -14.054 -8.782 1.00 60.33 N ATOM 184 CA ASP A 13 1.154 -14.092 -7.338 1.00 11.14 C ATOM 185 C ASP A 13 1.527 -12.728 -6.781 1.00 44.13 C ATOM 186 O ASP A 13 2.696 -12.337 -6.807 1.00 33.31 O ATOM 187 CB ASP A 13 2.074 -15.174 -6.765 1.00 71.45 C ATOM 188 CG ASP A 13 2.122 -15.166 -5.251 1.00 34.23 C ATOM 189 OD1 ASP A 13 1.127 -15.572 -4.619 1.00 34.31 O ATOM 190 OD2 ASP A 13 3.174 -14.789 -4.688 1.00 71.53 O ATOM 0 H ASP A 13 2.023 -13.458 -9.118 1.00 60.33 H new ATOM 0 HA ASP A 13 0.130 -14.333 -7.054 1.00 11.14 H new ATOM 0 HB2 ASP A 13 1.734 -16.151 -7.108 1.00 71.45 H new ATOM 0 HB3 ASP A 13 3.081 -15.032 -7.156 1.00 71.45 H new ATOM 195 N SER A 14 0.532 -11.983 -6.331 1.00 35.35 N ATOM 196 CA SER A 14 0.750 -10.625 -5.858 1.00 15.54 C ATOM 197 C SER A 14 -0.302 -10.241 -4.824 1.00 4.50 C ATOM 198 O SER A 14 -1.352 -10.879 -4.727 1.00 52.35 O ATOM 199 CB SER A 14 0.723 -9.647 -7.041 1.00 3.23 C ATOM 200 OG SER A 14 1.743 -9.960 -7.979 1.00 41.23 O ATOM 0 H SER A 14 -0.438 -12.296 -6.283 1.00 35.35 H new ATOM 0 HA SER A 14 1.729 -10.574 -5.381 1.00 15.54 H new ATOM 0 HB2 SER A 14 -0.251 -9.687 -7.529 1.00 3.23 H new ATOM 0 HB3 SER A 14 0.856 -8.628 -6.679 1.00 3.23 H new ATOM 0 HG SER A 14 1.707 -9.326 -8.725 1.00 41.23 H new ATOM 206 N VAL A 15 -0.009 -9.206 -4.050 1.00 41.23 N ATOM 207 CA VAL A 15 -0.927 -8.735 -3.026 1.00 51.21 C ATOM 208 C VAL A 15 -1.777 -7.589 -3.558 1.00 72.33 C ATOM 209 O VAL A 15 -1.501 -7.050 -4.632 1.00 44.53 O ATOM 210 CB VAL A 15 -0.180 -8.274 -1.756 1.00 54.15 C ATOM 211 CG1 VAL A 15 0.614 -9.425 -1.167 1.00 71.35 C ATOM 212 CG2 VAL A 15 0.733 -7.091 -2.051 1.00 52.14 C ATOM 0 H VAL A 15 0.860 -8.676 -4.113 1.00 41.23 H new ATOM 0 HA VAL A 15 -1.570 -9.574 -2.759 1.00 51.21 H new ATOM 0 HB VAL A 15 -0.922 -7.948 -1.027 1.00 54.15 H new ATOM 0 HG11 VAL A 15 1.136 -9.087 -0.272 1.00 71.35 H new ATOM 0 HG12 VAL A 15 -0.063 -10.238 -0.906 1.00 71.35 H new ATOM 0 HG13 VAL A 15 1.340 -9.778 -1.899 1.00 71.35 H new ATOM 0 HG21 VAL A 15 1.245 -6.790 -1.137 1.00 52.14 H new ATOM 0 HG22 VAL A 15 1.469 -7.378 -2.802 1.00 52.14 H new ATOM 0 HG23 VAL A 15 0.139 -6.257 -2.426 1.00 52.14 H new ATOM 222 N HIS A 16 -2.798 -7.213 -2.805 1.00 33.31 N ATOM 223 CA HIS A 16 -3.724 -6.174 -3.242 1.00 2.11 C ATOM 224 C HIS A 16 -3.760 -5.041 -2.224 1.00 52.31 C ATOM 225 O HIS A 16 -4.619 -5.013 -1.343 1.00 61.32 O ATOM 226 CB HIS A 16 -5.135 -6.750 -3.429 1.00 32.50 C ATOM 227 CG HIS A 16 -5.168 -8.020 -4.229 1.00 43.44 C ATOM 228 ND1 HIS A 16 -5.452 -9.253 -3.678 1.00 3.03 N ATOM 229 CD2 HIS A 16 -4.942 -8.243 -5.544 1.00 25.14 C ATOM 230 CE1 HIS A 16 -5.396 -10.175 -4.622 1.00 63.32 C ATOM 231 NE2 HIS A 16 -5.089 -9.590 -5.762 1.00 41.45 N ATOM 0 H HIS A 16 -3.009 -7.609 -1.889 1.00 33.31 H new ATOM 0 HA HIS A 16 -3.376 -5.785 -4.199 1.00 2.11 H new ATOM 0 HB2 HIS A 16 -5.574 -6.937 -2.449 1.00 32.50 H new ATOM 0 HB3 HIS A 16 -5.760 -6.005 -3.921 1.00 32.50 H new ATOM 0 HD1 HIS A 16 -5.671 -9.425 -2.697 1.00 3.03 H new ATOM 0 HD2 HIS A 16 -4.692 -7.499 -6.285 1.00 25.14 H new ATOM 0 HE1 HIS A 16 -5.572 -11.231 -4.483 1.00 63.32 H new ATOM 240 N LEU A 17 -2.817 -4.120 -2.329 1.00 20.30 N ATOM 241 CA LEU A 17 -2.738 -3.014 -1.387 1.00 14.53 C ATOM 242 C LEU A 17 -3.801 -1.976 -1.708 1.00 64.25 C ATOM 243 O LEU A 17 -3.732 -1.290 -2.729 1.00 42.03 O ATOM 244 CB LEU A 17 -1.343 -2.386 -1.402 1.00 50.33 C ATOM 245 CG LEU A 17 -0.217 -3.318 -0.956 1.00 51.01 C ATOM 246 CD1 LEU A 17 1.121 -2.597 -0.988 1.00 4.01 C ATOM 247 CD2 LEU A 17 -0.497 -3.864 0.438 1.00 4.33 C ATOM 0 H LEU A 17 -2.098 -4.115 -3.053 1.00 20.30 H new ATOM 0 HA LEU A 17 -2.921 -3.399 -0.384 1.00 14.53 H new ATOM 0 HB2 LEU A 17 -1.128 -2.036 -2.412 1.00 50.33 H new ATOM 0 HB3 LEU A 17 -1.348 -1.509 -0.755 1.00 50.33 H new ATOM 0 HG LEU A 17 -0.170 -4.156 -1.652 1.00 51.01 H new ATOM 0 HD11 LEU A 17 1.909 -3.278 -0.667 1.00 4.01 H new ATOM 0 HD12 LEU A 17 1.327 -2.257 -2.003 1.00 4.01 H new ATOM 0 HD13 LEU A 17 1.088 -1.739 -0.317 1.00 4.01 H new ATOM 0 HD21 LEU A 17 0.315 -4.526 0.739 1.00 4.33 H new ATOM 0 HD22 LEU A 17 -0.572 -3.037 1.144 1.00 4.33 H new ATOM 0 HD23 LEU A 17 -1.434 -4.420 0.429 1.00 4.33 H new ATOM 259 N HIS A 18 -4.788 -1.874 -0.836 1.00 40.24 N ATOM 260 CA HIS A 18 -5.913 -0.985 -1.067 1.00 61.11 C ATOM 261 C HIS A 18 -5.579 0.424 -0.593 1.00 74.43 C ATOM 262 O HIS A 18 -5.584 0.701 0.608 1.00 64.01 O ATOM 263 CB HIS A 18 -7.171 -1.492 -0.352 1.00 65.23 C ATOM 264 CG HIS A 18 -7.499 -2.934 -0.616 1.00 53.24 C ATOM 265 ND1 HIS A 18 -7.695 -3.453 -1.876 1.00 73.50 N ATOM 266 CD2 HIS A 18 -7.655 -3.972 0.242 1.00 72.42 C ATOM 267 CE1 HIS A 18 -7.959 -4.742 -1.783 1.00 41.02 C ATOM 268 NE2 HIS A 18 -7.942 -5.086 -0.510 1.00 54.01 N ATOM 0 H HIS A 18 -4.834 -2.396 0.039 1.00 40.24 H new ATOM 0 HA HIS A 18 -6.111 -0.964 -2.139 1.00 61.11 H new ATOM 0 HB2 HIS A 18 -7.045 -1.352 0.722 1.00 65.23 H new ATOM 0 HB3 HIS A 18 -8.019 -0.878 -0.656 1.00 65.23 H new ATOM 0 HD1 HIS A 18 -7.644 -2.923 -2.746 1.00 73.50 H new ATOM 0 HD2 HIS A 18 -7.570 -3.931 1.318 1.00 72.42 H new ATOM 0 HE1 HIS A 18 -8.156 -5.406 -2.612 1.00 41.02 H new ATOM 277 N ILE A 19 -5.274 1.298 -1.538 1.00 21.32 N ATOM 278 CA ILE A 19 -4.913 2.674 -1.233 1.00 24.42 C ATOM 279 C ILE A 19 -6.160 3.548 -1.165 1.00 24.30 C ATOM 280 O ILE A 19 -6.931 3.621 -2.124 1.00 13.41 O ATOM 281 CB ILE A 19 -3.949 3.251 -2.295 1.00 12.54 C ATOM 282 CG1 ILE A 19 -2.685 2.389 -2.397 1.00 52.03 C ATOM 283 CG2 ILE A 19 -3.590 4.697 -1.971 1.00 1.41 C ATOM 284 CD1 ILE A 19 -1.899 2.295 -1.106 1.00 30.50 C ATOM 0 H ILE A 19 -5.269 1.076 -2.534 1.00 21.32 H new ATOM 0 HA ILE A 19 -4.410 2.673 -0.266 1.00 24.42 H new ATOM 0 HB ILE A 19 -4.455 3.236 -3.260 1.00 12.54 H new ATOM 0 HG12 ILE A 19 -2.967 1.385 -2.713 1.00 52.03 H new ATOM 0 HG13 ILE A 19 -2.040 2.798 -3.174 1.00 52.03 H new ATOM 0 HG21 ILE A 19 -2.911 5.082 -2.731 1.00 1.41 H new ATOM 0 HG22 ILE A 19 -4.497 5.302 -1.954 1.00 1.41 H new ATOM 0 HG23 ILE A 19 -3.106 4.742 -0.996 1.00 1.41 H new ATOM 0 HD11 ILE A 19 -1.020 1.669 -1.260 1.00 30.50 H new ATOM 0 HD12 ILE A 19 -1.584 3.292 -0.798 1.00 30.50 H new ATOM 0 HD13 ILE A 19 -2.526 1.856 -0.330 1.00 30.50 H new ATOM 296 N THR A 20 -6.360 4.198 -0.031 1.00 52.13 N ATOM 297 CA THR A 20 -7.512 5.065 0.150 1.00 51.42 C ATOM 298 C THR A 20 -7.118 6.337 0.893 1.00 15.14 C ATOM 299 O THR A 20 -6.550 6.274 1.983 1.00 22.32 O ATOM 300 CB THR A 20 -8.628 4.347 0.934 1.00 32.24 C ATOM 301 OG1 THR A 20 -8.819 3.025 0.414 1.00 43.40 O ATOM 302 CG2 THR A 20 -9.936 5.123 0.848 1.00 12.33 C ATOM 0 H THR A 20 -5.740 4.142 0.777 1.00 52.13 H new ATOM 0 HA THR A 20 -7.884 5.325 -0.841 1.00 51.42 H new ATOM 0 HB THR A 20 -8.326 4.287 1.980 1.00 32.24 H new ATOM 0 HG1 THR A 20 -9.740 2.930 0.092 1.00 43.40 H new ATOM 0 HG21 THR A 20 -10.709 4.597 1.409 1.00 12.33 H new ATOM 0 HG22 THR A 20 -9.797 6.119 1.269 1.00 12.33 H new ATOM 0 HG23 THR A 20 -10.240 5.209 -0.195 1.00 12.33 H new ATOM 310 N HIS A 21 -7.416 7.485 0.300 1.00 31.05 N ATOM 311 CA HIS A 21 -7.127 8.767 0.931 1.00 21.45 C ATOM 312 C HIS A 21 -8.248 9.160 1.885 1.00 24.42 C ATOM 313 O HIS A 21 -9.361 8.641 1.796 1.00 55.44 O ATOM 314 CB HIS A 21 -6.933 9.868 -0.118 1.00 73.13 C ATOM 315 CG HIS A 21 -5.526 10.005 -0.608 1.00 50.33 C ATOM 316 ND1 HIS A 21 -4.670 10.991 -0.171 1.00 50.44 N ATOM 317 CD2 HIS A 21 -4.832 9.287 -1.523 1.00 11.14 C ATOM 318 CE1 HIS A 21 -3.515 10.880 -0.794 1.00 24.02 C ATOM 319 NE2 HIS A 21 -3.583 9.853 -1.619 1.00 50.43 N ATOM 0 H HIS A 21 -7.858 7.556 -0.617 1.00 31.05 H new ATOM 0 HA HIS A 21 -6.200 8.656 1.494 1.00 21.45 H new ATOM 0 HB2 HIS A 21 -7.584 9.664 -0.968 1.00 73.13 H new ATOM 0 HB3 HIS A 21 -7.253 10.820 0.307 1.00 73.13 H new ATOM 0 HD1 HIS A 21 -4.896 11.699 0.528 1.00 50.44 H new ATOM 0 HD2 HIS A 21 -5.192 8.431 -2.074 1.00 11.14 H new ATOM 0 HE1 HIS A 21 -2.657 11.521 -0.653 1.00 24.02 H new ATOM 328 N ALA A 22 -7.946 10.071 2.795 1.00 23.23 N ATOM 329 CA ALA A 22 -8.939 10.585 3.721 1.00 44.21 C ATOM 330 C ALA A 22 -9.540 11.869 3.170 1.00 32.32 C ATOM 331 O ALA A 22 -10.684 12.220 3.471 1.00 30.21 O ATOM 332 CB ALA A 22 -8.320 10.826 5.088 1.00 32.54 C ATOM 0 H ALA A 22 -7.015 10.471 2.912 1.00 23.23 H new ATOM 0 HA ALA A 22 -9.732 9.846 3.836 1.00 44.21 H new ATOM 0 HB1 ALA A 22 -9.079 11.211 5.768 1.00 32.54 H new ATOM 0 HB2 ALA A 22 -7.924 9.888 5.479 1.00 32.54 H new ATOM 0 HB3 ALA A 22 -7.512 11.552 4.999 1.00 32.54 H new ATOM 338 N ASN A 23 -8.752 12.568 2.361 1.00 2.41 N ATOM 339 CA ASN A 23 -9.204 13.783 1.701 1.00 54.04 C ATOM 340 C ASN A 23 -10.155 13.430 0.565 1.00 72.41 C ATOM 341 O ASN A 23 -11.276 13.934 0.494 1.00 61.42 O ATOM 342 CB ASN A 23 -8.010 14.562 1.152 1.00 20.33 C ATOM 343 CG ASN A 23 -8.364 15.989 0.797 1.00 50.10 C ATOM 344 OD1 ASN A 23 -8.777 16.283 -0.325 1.00 72.22 O ATOM 345 ND2 ASN A 23 -8.203 16.889 1.752 1.00 43.45 N ATOM 0 H ASN A 23 -7.789 12.309 2.146 1.00 2.41 H new ATOM 0 HA ASN A 23 -9.726 14.405 2.428 1.00 54.04 H new ATOM 0 HB2 ASN A 23 -7.209 14.563 1.892 1.00 20.33 H new ATOM 0 HB3 ASN A 23 -7.626 14.055 0.267 1.00 20.33 H new ATOM 0 HD21 ASN A 23 -8.424 17.868 1.572 1.00 43.45 H new ATOM 0 HD22 ASN A 23 -7.858 16.604 2.669 1.00 43.45 H new ATOM 352 N LEU A 24 -9.702 12.549 -0.315 1.00 4.14 N ATOM 353 CA LEU A 24 -10.526 12.064 -1.411 1.00 50.13 C ATOM 354 C LEU A 24 -11.102 10.701 -1.049 1.00 32.21 C ATOM 355 O LEU A 24 -10.408 9.684 -1.128 1.00 53.30 O ATOM 356 CB LEU A 24 -9.725 11.963 -2.719 1.00 32.52 C ATOM 357 CG LEU A 24 -9.292 13.292 -3.352 1.00 25.40 C ATOM 358 CD1 LEU A 24 -8.128 13.912 -2.592 1.00 72.41 C ATOM 359 CD2 LEU A 24 -8.929 13.089 -4.815 1.00 22.53 C ATOM 0 H LEU A 24 -8.762 12.154 -0.290 1.00 4.14 H new ATOM 0 HA LEU A 24 -11.334 12.778 -1.571 1.00 50.13 H new ATOM 0 HB2 LEU A 24 -8.832 11.367 -2.529 1.00 32.52 H new ATOM 0 HB3 LEU A 24 -10.325 11.416 -3.447 1.00 32.52 H new ATOM 0 HG LEU A 24 -10.133 13.983 -3.294 1.00 25.40 H new ATOM 0 HD11 LEU A 24 -7.844 14.852 -3.065 1.00 72.41 H new ATOM 0 HD12 LEU A 24 -8.426 14.100 -1.560 1.00 72.41 H new ATOM 0 HD13 LEU A 24 -7.279 13.228 -2.606 1.00 72.41 H new ATOM 0 HD21 LEU A 24 -8.624 14.041 -5.250 1.00 22.53 H new ATOM 0 HD22 LEU A 24 -8.108 12.376 -4.891 1.00 22.53 H new ATOM 0 HD23 LEU A 24 -9.794 12.704 -5.355 1.00 22.53 H new ATOM 371 N LYS A 25 -12.366 10.690 -0.649 1.00 54.33 N ATOM 372 CA LYS A 25 -13.017 9.470 -0.182 1.00 24.21 C ATOM 373 C LYS A 25 -13.413 8.568 -1.344 1.00 65.50 C ATOM 374 O LYS A 25 -13.602 7.364 -1.169 1.00 51.12 O ATOM 375 CB LYS A 25 -14.251 9.811 0.658 1.00 72.15 C ATOM 376 CG LYS A 25 -15.314 10.604 -0.089 1.00 1.00 C ATOM 377 CD LYS A 25 -16.544 10.814 0.774 1.00 70.25 C ATOM 378 CE LYS A 25 -17.617 11.598 0.040 1.00 41.44 C ATOM 379 NZ LYS A 25 -18.860 11.721 0.843 1.00 64.20 N ATOM 0 H LYS A 25 -12.965 11.516 -0.638 1.00 54.33 H new ATOM 0 HA LYS A 25 -12.300 8.930 0.436 1.00 24.21 H new ATOM 0 HB2 LYS A 25 -14.695 8.885 1.024 1.00 72.15 H new ATOM 0 HB3 LYS A 25 -13.936 10.381 1.532 1.00 72.15 H new ATOM 0 HG2 LYS A 25 -14.908 11.570 -0.390 1.00 1.00 H new ATOM 0 HG3 LYS A 25 -15.592 10.077 -1.002 1.00 1.00 H new ATOM 0 HD2 LYS A 25 -16.944 9.847 1.079 1.00 70.25 H new ATOM 0 HD3 LYS A 25 -16.264 11.344 1.684 1.00 70.25 H new ATOM 0 HE2 LYS A 25 -17.240 12.592 -0.200 1.00 41.44 H new ATOM 0 HE3 LYS A 25 -17.843 11.106 -0.906 1.00 41.44 H new ATOM 0 HZ1 LYS A 25 -19.568 12.263 0.307 1.00 64.20 H new ATOM 0 HZ2 LYS A 25 -19.234 10.773 1.051 1.00 64.20 H new ATOM 0 HZ3 LYS A 25 -18.650 12.213 1.735 1.00 64.20 H new ATOM 393 N SER A 26 -13.539 9.149 -2.530 1.00 50.24 N ATOM 394 CA SER A 26 -13.898 8.386 -3.715 1.00 1.45 C ATOM 395 C SER A 26 -12.652 8.018 -4.513 1.00 34.14 C ATOM 396 O SER A 26 -12.738 7.529 -5.640 1.00 12.31 O ATOM 397 CB SER A 26 -14.879 9.180 -4.581 1.00 54.30 C ATOM 398 OG SER A 26 -16.077 9.441 -3.871 1.00 75.40 O ATOM 0 H SER A 26 -13.398 10.146 -2.695 1.00 50.24 H new ATOM 0 HA SER A 26 -14.385 7.463 -3.399 1.00 1.45 H new ATOM 0 HB2 SER A 26 -14.421 10.120 -4.889 1.00 54.30 H new ATOM 0 HB3 SER A 26 -15.103 8.622 -5.490 1.00 54.30 H new ATOM 0 HG SER A 26 -16.690 9.951 -4.441 1.00 75.40 H new ATOM 404 N PHE A 27 -11.490 8.254 -3.919 1.00 41.03 N ATOM 405 CA PHE A 27 -10.230 7.879 -4.538 1.00 43.14 C ATOM 406 C PHE A 27 -9.807 6.508 -4.031 1.00 11.53 C ATOM 407 O PHE A 27 -9.187 6.386 -2.973 1.00 72.22 O ATOM 408 CB PHE A 27 -9.145 8.918 -4.243 1.00 32.45 C ATOM 409 CG PHE A 27 -7.843 8.664 -4.953 1.00 74.20 C ATOM 410 CD1 PHE A 27 -7.666 9.062 -6.268 1.00 23.23 C ATOM 411 CD2 PHE A 27 -6.794 8.029 -4.302 1.00 44.24 C ATOM 412 CE1 PHE A 27 -6.472 8.831 -6.924 1.00 73.44 C ATOM 413 CE2 PHE A 27 -5.597 7.795 -4.953 1.00 14.11 C ATOM 414 CZ PHE A 27 -5.435 8.196 -6.265 1.00 14.32 C ATOM 0 H PHE A 27 -11.396 8.704 -3.008 1.00 41.03 H new ATOM 0 HA PHE A 27 -10.366 7.838 -5.619 1.00 43.14 H new ATOM 0 HB2 PHE A 27 -9.514 9.904 -4.526 1.00 32.45 H new ATOM 0 HB3 PHE A 27 -8.962 8.942 -3.169 1.00 32.45 H new ATOM 0 HD1 PHE A 27 -8.472 9.559 -6.787 1.00 23.23 H new ATOM 0 HD2 PHE A 27 -6.914 7.714 -3.276 1.00 44.24 H new ATOM 0 HE1 PHE A 27 -6.349 9.146 -7.950 1.00 73.44 H new ATOM 0 HE2 PHE A 27 -4.789 7.299 -4.436 1.00 14.11 H new ATOM 0 HZ PHE A 27 -4.501 8.014 -6.775 1.00 14.32 H new ATOM 424 N SER A 28 -10.187 5.481 -4.767 1.00 51.32 N ATOM 425 CA SER A 28 -9.861 4.117 -4.393 1.00 43.20 C ATOM 426 C SER A 28 -8.903 3.505 -5.406 1.00 63.51 C ATOM 427 O SER A 28 -9.313 3.070 -6.481 1.00 5.34 O ATOM 428 CB SER A 28 -11.137 3.283 -4.301 1.00 24.44 C ATOM 429 OG SER A 28 -12.090 3.911 -3.456 1.00 44.14 O ATOM 0 H SER A 28 -10.724 5.565 -5.630 1.00 51.32 H new ATOM 0 HA SER A 28 -9.374 4.126 -3.418 1.00 43.20 H new ATOM 0 HB2 SER A 28 -11.560 3.147 -5.296 1.00 24.44 H new ATOM 0 HB3 SER A 28 -10.901 2.291 -3.916 1.00 24.44 H new ATOM 0 HG SER A 28 -12.900 3.362 -3.412 1.00 44.14 H new ATOM 435 N ALA A 29 -7.626 3.493 -5.064 1.00 73.23 N ATOM 436 CA ALA A 29 -6.610 2.939 -5.941 1.00 24.21 C ATOM 437 C ALA A 29 -6.186 1.570 -5.440 1.00 53.33 C ATOM 438 O ALA A 29 -5.845 1.412 -4.268 1.00 63.42 O ATOM 439 CB ALA A 29 -5.408 3.872 -6.021 1.00 23.35 C ATOM 0 H ALA A 29 -7.268 3.862 -4.183 1.00 73.23 H new ATOM 0 HA ALA A 29 -7.028 2.834 -6.942 1.00 24.21 H new ATOM 0 HB1 ALA A 29 -4.656 3.441 -6.682 1.00 23.35 H new ATOM 0 HB2 ALA A 29 -5.724 4.839 -6.412 1.00 23.35 H new ATOM 0 HB3 ALA A 29 -4.983 4.004 -5.026 1.00 23.35 H new ATOM 445 N ASP A 30 -6.230 0.577 -6.306 1.00 5.22 N ATOM 446 CA ASP A 30 -5.832 -0.762 -5.912 1.00 71.44 C ATOM 447 C ASP A 30 -4.428 -1.047 -6.406 1.00 10.21 C ATOM 448 O ASP A 30 -4.203 -1.262 -7.600 1.00 12.23 O ATOM 449 CB ASP A 30 -6.809 -1.802 -6.451 1.00 43.33 C ATOM 450 CG ASP A 30 -6.905 -3.004 -5.539 1.00 32.50 C ATOM 451 OD1 ASP A 30 -7.427 -2.846 -4.413 1.00 0.01 O ATOM 452 OD2 ASP A 30 -6.466 -4.105 -5.932 1.00 33.31 O ATOM 0 H ASP A 30 -6.533 0.668 -7.276 1.00 5.22 H new ATOM 0 HA ASP A 30 -5.845 -0.822 -4.824 1.00 71.44 H new ATOM 0 HB2 ASP A 30 -7.795 -1.351 -6.564 1.00 43.33 H new ATOM 0 HB3 ASP A 30 -6.489 -2.122 -7.443 1.00 43.33 H new ATOM 457 N ALA A 31 -3.483 -1.020 -5.485 1.00 33.30 N ATOM 458 CA ALA A 31 -2.084 -1.179 -5.821 1.00 45.13 C ATOM 459 C ALA A 31 -1.655 -2.633 -5.700 1.00 1.43 C ATOM 460 O ALA A 31 -1.405 -3.137 -4.602 1.00 71.10 O ATOM 461 CB ALA A 31 -1.231 -0.289 -4.935 1.00 13.12 C ATOM 0 H ALA A 31 -3.663 -0.888 -4.490 1.00 33.30 H new ATOM 0 HA ALA A 31 -1.942 -0.878 -6.859 1.00 45.13 H new ATOM 0 HB1 ALA A 31 -0.180 -0.416 -5.196 1.00 13.12 H new ATOM 0 HB2 ALA A 31 -1.518 0.752 -5.081 1.00 13.12 H new ATOM 0 HB3 ALA A 31 -1.382 -0.563 -3.891 1.00 13.12 H new ATOM 467 N ARG A 32 -1.590 -3.309 -6.832 1.00 45.52 N ATOM 468 CA ARG A 32 -1.174 -4.699 -6.865 1.00 5.25 C ATOM 469 C ARG A 32 0.346 -4.785 -6.979 1.00 22.51 C ATOM 470 O ARG A 32 0.949 -4.223 -7.897 1.00 24.53 O ATOM 471 CB ARG A 32 -1.864 -5.426 -8.026 1.00 71.11 C ATOM 472 CG ARG A 32 -1.568 -4.826 -9.392 1.00 14.13 C ATOM 473 CD ARG A 32 -2.544 -5.307 -10.452 1.00 4.30 C ATOM 474 NE ARG A 32 -2.557 -6.762 -10.597 1.00 54.23 N ATOM 475 CZ ARG A 32 -2.677 -7.380 -11.769 1.00 30.21 C ATOM 476 NH1 ARG A 32 -2.636 -6.683 -12.901 1.00 14.44 N ATOM 477 NH2 ARG A 32 -2.805 -8.703 -11.810 1.00 53.05 N ATOM 0 H ARG A 32 -1.821 -2.916 -7.744 1.00 45.52 H new ATOM 0 HA ARG A 32 -1.471 -5.189 -5.938 1.00 5.25 H new ATOM 0 HB2 ARG A 32 -1.553 -6.471 -8.024 1.00 71.11 H new ATOM 0 HB3 ARG A 32 -2.941 -5.414 -7.860 1.00 71.11 H new ATOM 0 HG2 ARG A 32 -1.611 -3.739 -9.327 1.00 14.13 H new ATOM 0 HG3 ARG A 32 -0.553 -5.087 -9.690 1.00 14.13 H new ATOM 0 HD2 ARG A 32 -3.547 -4.964 -10.198 1.00 4.30 H new ATOM 0 HD3 ARG A 32 -2.285 -4.854 -11.409 1.00 4.30 H new ATOM 0 HE ARG A 32 -2.470 -7.333 -9.756 1.00 54.23 H new ATOM 0 HH11 ARG A 32 -2.512 -5.671 -12.873 1.00 14.44 H new ATOM 0 HH12 ARG A 32 -2.728 -7.161 -13.798 1.00 14.44 H new ATOM 0 HH21 ARG A 32 -2.811 -9.242 -10.944 1.00 53.05 H new ATOM 0 HH22 ARG A 32 -2.897 -9.179 -12.707 1.00 53.05 H new ATOM 491 N PHE A 33 0.961 -5.454 -6.017 1.00 42.43 N ATOM 492 CA PHE A 33 2.410 -5.604 -5.991 1.00 75.41 C ATOM 493 C PHE A 33 2.789 -7.046 -5.703 1.00 24.41 C ATOM 494 O PHE A 33 2.158 -7.707 -4.877 1.00 40.35 O ATOM 495 CB PHE A 33 3.044 -4.700 -4.927 1.00 62.22 C ATOM 496 CG PHE A 33 2.952 -3.231 -5.227 1.00 44.31 C ATOM 497 CD1 PHE A 33 3.670 -2.677 -6.274 1.00 72.55 C ATOM 498 CD2 PHE A 33 2.160 -2.402 -4.452 1.00 2.45 C ATOM 499 CE1 PHE A 33 3.598 -1.322 -6.542 1.00 65.51 C ATOM 500 CE2 PHE A 33 2.083 -1.047 -4.716 1.00 41.03 C ATOM 501 CZ PHE A 33 2.803 -0.508 -5.764 1.00 24.35 C ATOM 0 H PHE A 33 0.478 -5.904 -5.240 1.00 42.43 H new ATOM 0 HA PHE A 33 2.786 -5.313 -6.972 1.00 75.41 H new ATOM 0 HB2 PHE A 33 2.562 -4.894 -3.969 1.00 62.22 H new ATOM 0 HB3 PHE A 33 4.094 -4.971 -4.816 1.00 62.22 H new ATOM 0 HD1 PHE A 33 4.293 -3.310 -6.888 1.00 72.55 H new ATOM 0 HD2 PHE A 33 1.595 -2.818 -3.631 1.00 2.45 H new ATOM 0 HE1 PHE A 33 4.164 -0.902 -7.360 1.00 65.51 H new ATOM 0 HE2 PHE A 33 1.461 -0.411 -4.104 1.00 41.03 H new ATOM 0 HZ PHE A 33 2.743 0.550 -5.974 1.00 24.35 H new ATOM 511 N SER A 34 3.804 -7.535 -6.393 1.00 53.01 N ATOM 512 CA SER A 34 4.332 -8.859 -6.122 1.00 45.41 C ATOM 513 C SER A 34 5.035 -8.856 -4.767 1.00 61.02 C ATOM 514 O SER A 34 5.767 -7.915 -4.447 1.00 35.33 O ATOM 515 CB SER A 34 5.291 -9.269 -7.238 1.00 42.25 C ATOM 516 OG SER A 34 4.652 -9.177 -8.502 1.00 44.51 O ATOM 0 H SER A 34 4.279 -7.035 -7.145 1.00 53.01 H new ATOM 0 HA SER A 34 3.519 -9.584 -6.089 1.00 45.41 H new ATOM 0 HB2 SER A 34 6.172 -8.628 -7.222 1.00 42.25 H new ATOM 0 HB3 SER A 34 5.636 -10.289 -7.072 1.00 42.25 H new ATOM 0 HG SER A 34 3.703 -9.403 -8.406 1.00 44.51 H new ATOM 522 N PRO A 35 4.808 -9.889 -3.941 1.00 13.15 N ATOM 523 CA PRO A 35 5.351 -9.945 -2.587 1.00 14.43 C ATOM 524 C PRO A 35 6.851 -10.208 -2.569 1.00 34.32 C ATOM 525 O PRO A 35 7.290 -11.333 -2.329 1.00 31.25 O ATOM 526 CB PRO A 35 4.595 -11.107 -1.925 1.00 2.32 C ATOM 527 CG PRO A 35 3.536 -11.515 -2.897 1.00 34.33 C ATOM 528 CD PRO A 35 4.013 -11.080 -4.250 1.00 12.03 C ATOM 0 HA PRO A 35 5.222 -8.994 -2.070 1.00 14.43 H new ATOM 0 HB2 PRO A 35 5.267 -11.937 -1.709 1.00 2.32 H new ATOM 0 HB3 PRO A 35 4.156 -10.797 -0.977 1.00 2.32 H new ATOM 0 HG2 PRO A 35 3.378 -12.593 -2.869 1.00 34.33 H new ATOM 0 HG3 PRO A 35 2.583 -11.047 -2.652 1.00 34.33 H new ATOM 0 HD2 PRO A 35 4.610 -11.851 -4.736 1.00 12.03 H new ATOM 0 HD3 PRO A 35 3.183 -10.851 -4.918 1.00 12.03 H new ATOM 536 N GLN A 36 7.628 -9.169 -2.863 1.00 51.33 N ATOM 537 CA GLN A 36 9.081 -9.225 -2.763 1.00 74.25 C ATOM 538 C GLN A 36 9.676 -7.859 -3.076 1.00 34.00 C ATOM 539 O GLN A 36 10.200 -7.631 -4.166 1.00 35.14 O ATOM 540 CB GLN A 36 9.673 -10.288 -3.700 1.00 14.33 C ATOM 541 CG GLN A 36 10.658 -11.213 -3.011 1.00 4.24 C ATOM 542 CD GLN A 36 11.316 -12.181 -3.971 1.00 24.22 C ATOM 543 OE1 GLN A 36 12.363 -11.885 -4.542 1.00 71.21 O ATOM 544 NE2 GLN A 36 10.704 -13.343 -4.156 1.00 73.54 N ATOM 0 H GLN A 36 7.268 -8.268 -3.176 1.00 51.33 H new ATOM 0 HA GLN A 36 9.336 -9.506 -1.741 1.00 74.25 H new ATOM 0 HB2 GLN A 36 8.863 -10.882 -4.123 1.00 14.33 H new ATOM 0 HB3 GLN A 36 10.172 -9.792 -4.532 1.00 14.33 H new ATOM 0 HG2 GLN A 36 11.426 -10.617 -2.518 1.00 4.24 H new ATOM 0 HG3 GLN A 36 10.141 -11.774 -2.233 1.00 4.24 H new ATOM 0 HE21 GLN A 36 9.836 -13.547 -3.661 1.00 73.54 H new ATOM 0 HE22 GLN A 36 11.101 -14.033 -4.794 1.00 73.54 H new ATOM 553 N MET A 37 9.552 -6.941 -2.128 1.00 21.15 N ATOM 554 CA MET A 37 10.072 -5.589 -2.291 1.00 44.15 C ATOM 555 C MET A 37 10.396 -4.992 -0.928 1.00 3.11 C ATOM 556 O MET A 37 9.736 -5.309 0.064 1.00 54.14 O ATOM 557 CB MET A 37 9.051 -4.710 -3.026 1.00 44.33 C ATOM 558 CG MET A 37 9.546 -3.301 -3.324 1.00 12.10 C ATOM 559 SD MET A 37 8.313 -2.293 -4.170 1.00 70.55 S ATOM 560 CE MET A 37 9.237 -0.782 -4.422 1.00 25.14 C ATOM 0 H MET A 37 9.093 -7.109 -1.233 1.00 21.15 H new ATOM 0 HA MET A 37 10.984 -5.631 -2.886 1.00 44.15 H new ATOM 0 HB2 MET A 37 8.779 -5.194 -3.964 1.00 44.33 H new ATOM 0 HB3 MET A 37 8.144 -4.646 -2.425 1.00 44.33 H new ATOM 0 HG2 MET A 37 9.828 -2.815 -2.390 1.00 12.10 H new ATOM 0 HG3 MET A 37 10.445 -3.359 -3.938 1.00 12.10 H new ATOM 0 HE1 MET A 37 8.610 -0.054 -4.936 1.00 25.14 H new ATOM 0 HE2 MET A 37 9.545 -0.379 -3.457 1.00 25.14 H new ATOM 0 HE3 MET A 37 10.120 -0.992 -5.026 1.00 25.14 H new ATOM 570 N SER A 38 11.422 -4.157 -0.882 1.00 44.01 N ATOM 571 CA SER A 38 11.801 -3.477 0.344 1.00 1.21 C ATOM 572 C SER A 38 11.001 -2.188 0.505 1.00 64.30 C ATOM 573 O SER A 38 10.847 -1.413 -0.444 1.00 50.15 O ATOM 574 CB SER A 38 13.306 -3.179 0.337 1.00 32.44 C ATOM 575 OG SER A 38 13.713 -2.500 1.517 1.00 73.31 O ATOM 0 H SER A 38 12.010 -3.934 -1.685 1.00 44.01 H new ATOM 0 HA SER A 38 11.578 -4.127 1.190 1.00 1.21 H new ATOM 0 HB2 SER A 38 13.861 -4.112 0.244 1.00 32.44 H new ATOM 0 HB3 SER A 38 13.553 -2.573 -0.535 1.00 32.44 H new ATOM 0 HG SER A 38 12.993 -2.537 2.181 1.00 73.31 H new ATOM 581 N VAL A 39 10.495 -1.964 1.710 1.00 1.35 N ATOM 582 CA VAL A 39 9.712 -0.770 2.012 1.00 72.34 C ATOM 583 C VAL A 39 10.571 0.488 1.870 1.00 34.41 C ATOM 584 O VAL A 39 10.077 1.560 1.518 1.00 60.10 O ATOM 585 CB VAL A 39 9.127 -0.836 3.439 1.00 50.21 C ATOM 586 CG1 VAL A 39 8.198 0.341 3.705 1.00 2.11 C ATOM 587 CG2 VAL A 39 8.405 -2.159 3.658 1.00 34.12 C ATOM 0 H VAL A 39 10.613 -2.598 2.501 1.00 1.35 H new ATOM 0 HA VAL A 39 8.890 -0.726 1.298 1.00 72.34 H new ATOM 0 HB VAL A 39 9.952 -0.774 4.148 1.00 50.21 H new ATOM 0 HG11 VAL A 39 7.800 0.269 4.717 1.00 2.11 H new ATOM 0 HG12 VAL A 39 8.752 1.273 3.598 1.00 2.11 H new ATOM 0 HG13 VAL A 39 7.375 0.324 2.990 1.00 2.11 H new ATOM 0 HG21 VAL A 39 7.999 -2.189 4.669 1.00 34.12 H new ATOM 0 HG22 VAL A 39 7.593 -2.254 2.938 1.00 34.12 H new ATOM 0 HG23 VAL A 39 9.106 -2.983 3.524 1.00 34.12 H new ATOM 597 N GLU A 40 11.865 0.336 2.124 1.00 32.10 N ATOM 598 CA GLU A 40 12.815 1.434 1.991 1.00 71.33 C ATOM 599 C GLU A 40 12.846 1.956 0.554 1.00 1.34 C ATOM 600 O GLU A 40 13.102 3.140 0.314 1.00 12.30 O ATOM 601 CB GLU A 40 14.209 0.960 2.413 1.00 14.51 C ATOM 602 CG GLU A 40 15.274 2.043 2.357 1.00 54.31 C ATOM 603 CD GLU A 40 16.650 1.515 2.695 1.00 61.14 C ATOM 604 OE1 GLU A 40 17.215 0.758 1.882 1.00 0.33 O ATOM 605 OE2 GLU A 40 17.176 1.863 3.771 1.00 4.31 O ATOM 0 H GLU A 40 12.283 -0.544 2.426 1.00 32.10 H new ATOM 0 HA GLU A 40 12.499 2.251 2.640 1.00 71.33 H new ATOM 0 HB2 GLU A 40 14.156 0.569 3.429 1.00 14.51 H new ATOM 0 HB3 GLU A 40 14.511 0.134 1.769 1.00 14.51 H new ATOM 0 HG2 GLU A 40 15.291 2.481 1.359 1.00 54.31 H new ATOM 0 HG3 GLU A 40 15.013 2.842 3.052 1.00 54.31 H new ATOM 612 N ALA A 41 12.563 1.073 -0.396 1.00 53.43 N ATOM 613 CA ALA A 41 12.572 1.436 -1.805 1.00 20.42 C ATOM 614 C ALA A 41 11.311 2.213 -2.182 1.00 13.22 C ATOM 615 O ALA A 41 11.385 3.230 -2.877 1.00 33.22 O ATOM 616 CB ALA A 41 12.718 0.196 -2.674 1.00 10.30 C ATOM 0 H ALA A 41 12.324 0.098 -0.214 1.00 53.43 H new ATOM 0 HA ALA A 41 13.430 2.085 -1.981 1.00 20.42 H new ATOM 0 HB1 ALA A 41 12.723 0.486 -3.725 1.00 10.30 H new ATOM 0 HB2 ALA A 41 13.653 -0.309 -2.433 1.00 10.30 H new ATOM 0 HB3 ALA A 41 11.883 -0.479 -2.488 1.00 10.30 H new ATOM 622 N VAL A 42 10.155 1.748 -1.711 1.00 62.14 N ATOM 623 CA VAL A 42 8.892 2.402 -2.048 1.00 13.53 C ATOM 624 C VAL A 42 8.791 3.771 -1.371 1.00 73.04 C ATOM 625 O VAL A 42 8.285 4.725 -1.965 1.00 44.24 O ATOM 626 CB VAL A 42 7.661 1.524 -1.696 1.00 45.25 C ATOM 627 CG1 VAL A 42 7.555 1.273 -0.201 1.00 55.12 C ATOM 628 CG2 VAL A 42 6.384 2.159 -2.223 1.00 13.13 C ATOM 0 H VAL A 42 10.066 0.933 -1.104 1.00 62.14 H new ATOM 0 HA VAL A 42 8.886 2.544 -3.129 1.00 13.53 H new ATOM 0 HB VAL A 42 7.799 0.558 -2.181 1.00 45.25 H new ATOM 0 HG11 VAL A 42 6.681 0.655 0.003 1.00 55.12 H new ATOM 0 HG12 VAL A 42 8.452 0.759 0.146 1.00 55.12 H new ATOM 0 HG13 VAL A 42 7.457 2.224 0.322 1.00 55.12 H new ATOM 0 HG21 VAL A 42 5.532 1.529 -1.967 1.00 13.13 H new ATOM 0 HG22 VAL A 42 6.255 3.144 -1.774 1.00 13.13 H new ATOM 0 HG23 VAL A 42 6.448 2.260 -3.306 1.00 13.13 H new ATOM 638 N LYS A 43 9.309 3.875 -0.146 1.00 71.23 N ATOM 639 CA LYS A 43 9.347 5.155 0.561 1.00 74.32 C ATOM 640 C LYS A 43 10.186 6.167 -0.211 1.00 11.31 C ATOM 641 O LYS A 43 9.851 7.352 -0.274 1.00 42.21 O ATOM 642 CB LYS A 43 9.915 4.986 1.974 1.00 24.32 C ATOM 643 CG LYS A 43 8.952 4.352 2.964 1.00 0.42 C ATOM 644 CD LYS A 43 9.582 4.245 4.344 1.00 22.13 C ATOM 645 CE LYS A 43 8.566 3.841 5.400 1.00 5.42 C ATOM 646 NZ LYS A 43 9.179 3.740 6.756 1.00 34.25 N ATOM 0 H LYS A 43 9.706 3.093 0.374 1.00 71.23 H new ATOM 0 HA LYS A 43 8.324 5.523 0.638 1.00 74.32 H new ATOM 0 HB2 LYS A 43 10.816 4.375 1.920 1.00 24.32 H new ATOM 0 HB3 LYS A 43 10.215 5.964 2.352 1.00 24.32 H new ATOM 0 HG2 LYS A 43 8.040 4.946 3.022 1.00 0.42 H new ATOM 0 HG3 LYS A 43 8.665 3.361 2.614 1.00 0.42 H new ATOM 0 HD2 LYS A 43 10.390 3.514 4.319 1.00 22.13 H new ATOM 0 HD3 LYS A 43 10.027 5.202 4.615 1.00 22.13 H new ATOM 0 HE2 LYS A 43 7.756 4.570 5.422 1.00 5.42 H new ATOM 0 HE3 LYS A 43 8.124 2.882 5.130 1.00 5.42 H new ATOM 0 HZ1 LYS A 43 9.280 2.739 7.018 1.00 34.25 H new ATOM 0 HZ2 LYS A 43 10.116 4.192 6.748 1.00 34.25 H new ATOM 0 HZ3 LYS A 43 8.569 4.219 7.449 1.00 34.25 H new ATOM 660 N GLU A 44 11.266 5.692 -0.816 1.00 51.02 N ATOM 661 CA GLU A 44 12.155 6.550 -1.586 1.00 14.32 C ATOM 662 C GLU A 44 11.441 7.116 -2.815 1.00 45.20 C ATOM 663 O GLU A 44 11.585 8.292 -3.142 1.00 64.40 O ATOM 664 CB GLU A 44 13.400 5.778 -2.021 1.00 73.20 C ATOM 665 CG GLU A 44 14.367 6.611 -2.845 1.00 50.15 C ATOM 666 CD GLU A 44 15.544 5.810 -3.351 1.00 42.25 C ATOM 667 OE1 GLU A 44 16.544 5.692 -2.616 1.00 50.12 O ATOM 668 OE2 GLU A 44 15.474 5.300 -4.489 1.00 42.42 O ATOM 0 H GLU A 44 11.548 4.712 -0.788 1.00 51.02 H new ATOM 0 HA GLU A 44 12.456 7.380 -0.946 1.00 14.32 H new ATOM 0 HB2 GLU A 44 13.916 5.405 -1.136 1.00 73.20 H new ATOM 0 HB3 GLU A 44 13.095 4.908 -2.602 1.00 73.20 H new ATOM 0 HG2 GLU A 44 13.836 7.043 -3.693 1.00 50.15 H new ATOM 0 HG3 GLU A 44 14.731 7.441 -2.240 1.00 50.15 H new ATOM 675 N LYS A 45 10.658 6.277 -3.484 1.00 61.43 N ATOM 676 CA LYS A 45 9.959 6.697 -4.691 1.00 15.13 C ATOM 677 C LYS A 45 8.890 7.732 -4.353 1.00 61.12 C ATOM 678 O LYS A 45 8.607 8.629 -5.151 1.00 72.44 O ATOM 679 CB LYS A 45 9.344 5.493 -5.407 1.00 75.33 C ATOM 680 CG LYS A 45 8.805 5.820 -6.788 1.00 72.04 C ATOM 681 CD LYS A 45 8.455 4.564 -7.565 1.00 53.12 C ATOM 682 CE LYS A 45 8.017 4.897 -8.982 1.00 2.24 C ATOM 683 NZ LYS A 45 7.889 3.679 -9.822 1.00 53.34 N ATOM 0 H LYS A 45 10.492 5.308 -3.212 1.00 61.43 H new ATOM 0 HA LYS A 45 10.681 7.157 -5.366 1.00 15.13 H new ATOM 0 HB2 LYS A 45 10.097 4.710 -5.496 1.00 75.33 H new ATOM 0 HB3 LYS A 45 8.536 5.091 -4.796 1.00 75.33 H new ATOM 0 HG2 LYS A 45 7.919 6.448 -6.694 1.00 72.04 H new ATOM 0 HG3 LYS A 45 9.547 6.396 -7.341 1.00 72.04 H new ATOM 0 HD2 LYS A 45 9.319 3.900 -7.595 1.00 53.12 H new ATOM 0 HD3 LYS A 45 7.657 4.027 -7.052 1.00 53.12 H new ATOM 0 HE2 LYS A 45 7.061 5.420 -8.953 1.00 2.24 H new ATOM 0 HE3 LYS A 45 8.739 5.576 -9.435 1.00 2.24 H new ATOM 0 HZ1 LYS A 45 7.589 3.948 -10.781 1.00 53.34 H new ATOM 0 HZ2 LYS A 45 8.807 3.193 -9.871 1.00 53.34 H new ATOM 0 HZ3 LYS A 45 7.182 3.042 -9.404 1.00 53.34 H new ATOM 697 N LEU A 46 8.314 7.611 -3.163 1.00 43.51 N ATOM 698 CA LEU A 46 7.344 8.585 -2.680 1.00 62.13 C ATOM 699 C LEU A 46 8.046 9.883 -2.301 1.00 42.23 C ATOM 700 O LEU A 46 7.542 10.976 -2.561 1.00 1.32 O ATOM 701 CB LEU A 46 6.588 8.032 -1.470 1.00 10.31 C ATOM 702 CG LEU A 46 5.781 6.759 -1.734 1.00 72.13 C ATOM 703 CD1 LEU A 46 5.147 6.246 -0.451 1.00 61.50 C ATOM 704 CD2 LEU A 46 4.714 7.008 -2.792 1.00 62.11 C ATOM 0 H LEU A 46 8.502 6.847 -2.514 1.00 43.51 H new ATOM 0 HA LEU A 46 6.630 8.786 -3.479 1.00 62.13 H new ATOM 0 HB2 LEU A 46 7.305 7.830 -0.674 1.00 10.31 H new ATOM 0 HB3 LEU A 46 5.911 8.803 -1.101 1.00 10.31 H new ATOM 0 HG LEU A 46 6.465 5.997 -2.107 1.00 72.13 H new ATOM 0 HD11 LEU A 46 4.578 5.341 -0.663 1.00 61.50 H new ATOM 0 HD12 LEU A 46 5.927 6.022 0.276 1.00 61.50 H new ATOM 0 HD13 LEU A 46 4.480 7.007 -0.045 1.00 61.50 H new ATOM 0 HD21 LEU A 46 4.152 6.090 -2.965 1.00 62.11 H new ATOM 0 HD22 LEU A 46 4.036 7.790 -2.448 1.00 62.11 H new ATOM 0 HD23 LEU A 46 5.189 7.323 -3.721 1.00 62.11 H new ATOM 716 N TRP A 47 9.219 9.747 -1.691 1.00 21.04 N ATOM 717 CA TRP A 47 10.039 10.889 -1.304 1.00 13.13 C ATOM 718 C TRP A 47 10.368 11.751 -2.522 1.00 61.41 C ATOM 719 O TRP A 47 10.365 12.980 -2.449 1.00 71.21 O ATOM 720 CB TRP A 47 11.333 10.390 -0.650 1.00 24.41 C ATOM 721 CG TRP A 47 12.224 11.479 -0.131 1.00 65.21 C ATOM 722 CD1 TRP A 47 12.162 12.073 1.097 1.00 24.02 C ATOM 723 CD2 TRP A 47 13.323 12.092 -0.821 1.00 3.33 C ATOM 724 NE1 TRP A 47 13.149 13.022 1.212 1.00 4.34 N ATOM 725 CE2 TRP A 47 13.877 13.050 0.049 1.00 50.44 C ATOM 726 CE3 TRP A 47 13.894 11.921 -2.088 1.00 70.41 C ATOM 727 CZ2 TRP A 47 14.968 13.837 -0.311 1.00 24.44 C ATOM 728 CZ3 TRP A 47 14.977 12.702 -2.442 1.00 73.43 C ATOM 729 CH2 TRP A 47 15.504 13.647 -1.554 1.00 63.44 C ATOM 0 H TRP A 47 9.627 8.843 -1.451 1.00 21.04 H new ATOM 0 HA TRP A 47 9.483 11.499 -0.592 1.00 13.13 H new ATOM 0 HB2 TRP A 47 11.076 9.724 0.174 1.00 24.41 H new ATOM 0 HB3 TRP A 47 11.889 9.798 -1.377 1.00 24.41 H new ATOM 0 HD1 TRP A 47 11.442 11.832 1.865 1.00 24.02 H new ATOM 0 HE1 TRP A 47 13.314 13.610 2.029 1.00 4.34 H new ATOM 0 HE3 TRP A 47 13.495 11.191 -2.777 1.00 70.41 H new ATOM 0 HZ2 TRP A 47 15.376 14.571 0.368 1.00 24.44 H new ATOM 0 HZ3 TRP A 47 15.424 12.582 -3.418 1.00 73.43 H new ATOM 0 HH2 TRP A 47 16.354 14.240 -1.858 1.00 63.44 H new ATOM 740 N LYS A 48 10.619 11.091 -3.648 1.00 11.33 N ATOM 741 CA LYS A 48 10.987 11.769 -4.892 1.00 74.34 C ATOM 742 C LYS A 48 9.835 12.603 -5.464 1.00 61.05 C ATOM 743 O LYS A 48 10.010 13.302 -6.463 1.00 3.43 O ATOM 744 CB LYS A 48 11.438 10.742 -5.935 1.00 72.14 C ATOM 745 CG LYS A 48 12.734 10.028 -5.584 1.00 24.32 C ATOM 746 CD LYS A 48 13.061 8.945 -6.602 1.00 42.05 C ATOM 747 CE LYS A 48 14.412 8.304 -6.325 1.00 14.04 C ATOM 748 NZ LYS A 48 14.740 7.236 -7.310 1.00 22.21 N ATOM 0 H LYS A 48 10.574 10.075 -3.727 1.00 11.33 H new ATOM 0 HA LYS A 48 11.805 12.450 -4.656 1.00 74.34 H new ATOM 0 HB2 LYS A 48 10.650 10.000 -6.063 1.00 72.14 H new ATOM 0 HB3 LYS A 48 11.561 11.245 -6.894 1.00 72.14 H new ATOM 0 HG2 LYS A 48 13.550 10.750 -5.543 1.00 24.32 H new ATOM 0 HG3 LYS A 48 12.650 9.584 -4.592 1.00 24.32 H new ATOM 0 HD2 LYS A 48 12.284 8.180 -6.583 1.00 42.05 H new ATOM 0 HD3 LYS A 48 13.060 9.375 -7.604 1.00 42.05 H new ATOM 0 HE2 LYS A 48 15.188 9.070 -6.350 1.00 14.04 H new ATOM 0 HE3 LYS A 48 14.413 7.882 -5.320 1.00 14.04 H new ATOM 0 HZ1 LYS A 48 15.669 6.827 -7.083 1.00 22.21 H new ATOM 0 HZ2 LYS A 48 14.015 6.492 -7.269 1.00 22.21 H new ATOM 0 HZ3 LYS A 48 14.766 7.642 -8.267 1.00 22.21 H new ATOM 762 N LYS A 49 8.661 12.525 -4.850 1.00 61.31 N ATOM 763 CA LYS A 49 7.509 13.288 -5.319 1.00 61.34 C ATOM 764 C LYS A 49 7.562 14.725 -4.806 1.00 63.00 C ATOM 765 O LYS A 49 7.296 15.672 -5.549 1.00 43.32 O ATOM 766 CB LYS A 49 6.205 12.613 -4.874 1.00 1.23 C ATOM 767 CG LYS A 49 4.944 13.368 -5.278 1.00 70.43 C ATOM 768 CD LYS A 49 4.771 13.418 -6.788 1.00 43.05 C ATOM 769 CE LYS A 49 3.517 14.192 -7.174 1.00 1.04 C ATOM 770 NZ LYS A 49 3.289 14.185 -8.644 1.00 63.21 N ATOM 0 H LYS A 49 8.481 11.945 -4.031 1.00 61.31 H new ATOM 0 HA LYS A 49 7.539 13.313 -6.408 1.00 61.34 H new ATOM 0 HB2 LYS A 49 6.166 11.609 -5.297 1.00 1.23 H new ATOM 0 HB3 LYS A 49 6.217 12.502 -3.790 1.00 1.23 H new ATOM 0 HG2 LYS A 49 4.074 12.888 -4.829 1.00 70.43 H new ATOM 0 HG3 LYS A 49 4.987 14.383 -4.884 1.00 70.43 H new ATOM 0 HD2 LYS A 49 5.645 13.887 -7.241 1.00 43.05 H new ATOM 0 HD3 LYS A 49 4.712 12.404 -7.184 1.00 43.05 H new ATOM 0 HE2 LYS A 49 2.653 13.757 -6.671 1.00 1.04 H new ATOM 0 HE3 LYS A 49 3.604 15.221 -6.825 1.00 1.04 H new ATOM 0 HZ1 LYS A 49 2.426 14.722 -8.864 1.00 63.21 H new ATOM 0 HZ2 LYS A 49 4.101 14.623 -9.123 1.00 63.21 H new ATOM 0 HZ3 LYS A 49 3.180 13.205 -8.974 1.00 63.21 H new ATOM 784 N CYS A 50 7.914 14.883 -3.539 1.00 61.54 N ATOM 785 CA CYS A 50 7.942 16.199 -2.915 1.00 72.54 C ATOM 786 C CYS A 50 9.370 16.650 -2.615 1.00 11.44 C ATOM 787 O CYS A 50 9.651 17.846 -2.536 1.00 32.33 O ATOM 788 CB CYS A 50 7.120 16.170 -1.625 1.00 21.10 C ATOM 789 SG CYS A 50 7.541 14.797 -0.527 1.00 41.15 S ATOM 0 H CYS A 50 8.184 14.117 -2.922 1.00 61.54 H new ATOM 0 HA CYS A 50 7.510 16.915 -3.613 1.00 72.54 H new ATOM 0 HB2 CYS A 50 7.265 17.109 -1.091 1.00 21.10 H new ATOM 0 HB3 CYS A 50 6.062 16.109 -1.880 1.00 21.10 H new ATOM 0 HG CYS A 50 6.800 14.851 0.540 1.00 41.15 H new ATOM 795 N GLY A 51 10.272 15.691 -2.448 1.00 25.44 N ATOM 796 CA GLY A 51 11.637 16.015 -2.079 1.00 11.31 C ATOM 797 C GLY A 51 11.749 16.361 -0.608 1.00 44.14 C ATOM 798 O GLY A 51 12.644 17.099 -0.194 1.00 30.30 O ATOM 0 H GLY A 51 10.083 14.695 -2.561 1.00 25.44 H new ATOM 0 HA2 GLY A 51 12.286 15.169 -2.305 1.00 11.31 H new ATOM 0 HA3 GLY A 51 11.987 16.855 -2.679 1.00 11.31 H new ATOM 802 N THR A 52 10.825 15.834 0.178 1.00 34.01 N ATOM 803 CA THR A 52 10.783 16.089 1.607 1.00 51.40 C ATOM 804 C THR A 52 10.352 14.821 2.337 1.00 62.25 C ATOM 805 O THR A 52 9.460 14.112 1.872 1.00 33.20 O ATOM 806 CB THR A 52 9.805 17.241 1.931 1.00 1.54 C ATOM 807 OG1 THR A 52 10.101 18.376 1.102 1.00 21.53 O ATOM 808 CG2 THR A 52 9.896 17.648 3.398 1.00 43.35 C ATOM 0 H THR A 52 10.084 15.218 -0.157 1.00 34.01 H new ATOM 0 HA THR A 52 11.779 16.383 1.939 1.00 51.40 H new ATOM 0 HB THR A 52 8.792 16.890 1.734 1.00 1.54 H new ATOM 0 HG1 THR A 52 9.478 19.104 1.309 1.00 21.53 H new ATOM 0 HG21 THR A 52 9.196 18.460 3.594 1.00 43.35 H new ATOM 0 HG22 THR A 52 9.647 16.794 4.029 1.00 43.35 H new ATOM 0 HG23 THR A 52 10.910 17.981 3.621 1.00 43.35 H new ATOM 816 N SER A 53 11.001 14.532 3.457 1.00 22.32 N ATOM 817 CA SER A 53 10.722 13.323 4.219 1.00 33.21 C ATOM 818 C SER A 53 9.265 13.281 4.679 1.00 62.33 C ATOM 819 O SER A 53 8.707 14.293 5.109 1.00 72.10 O ATOM 820 CB SER A 53 11.658 13.239 5.423 1.00 50.11 C ATOM 821 OG SER A 53 13.016 13.277 5.013 1.00 20.10 O ATOM 0 H SER A 53 11.729 15.123 3.860 1.00 22.32 H new ATOM 0 HA SER A 53 10.893 12.465 3.569 1.00 33.21 H new ATOM 0 HB2 SER A 53 11.456 14.066 6.104 1.00 50.11 H new ATOM 0 HB3 SER A 53 11.466 12.318 5.974 1.00 50.11 H new ATOM 0 HG SER A 53 13.597 13.224 5.800 1.00 20.10 H new ATOM 827 N VAL A 54 8.657 12.106 4.577 1.00 71.31 N ATOM 828 CA VAL A 54 7.278 11.917 4.993 1.00 22.35 C ATOM 829 C VAL A 54 7.182 11.981 6.512 1.00 23.23 C ATOM 830 O VAL A 54 7.655 11.084 7.214 1.00 62.43 O ATOM 831 CB VAL A 54 6.715 10.567 4.497 1.00 72.33 C ATOM 832 CG1 VAL A 54 5.236 10.441 4.831 1.00 51.21 C ATOM 833 CG2 VAL A 54 6.947 10.402 3.003 1.00 53.21 C ATOM 0 H VAL A 54 9.103 11.266 4.207 1.00 71.31 H new ATOM 0 HA VAL A 54 6.684 12.716 4.549 1.00 22.35 H new ATOM 0 HB VAL A 54 7.247 9.768 5.014 1.00 72.33 H new ATOM 0 HG11 VAL A 54 4.862 9.482 4.472 1.00 51.21 H new ATOM 0 HG12 VAL A 54 5.100 10.502 5.911 1.00 51.21 H new ATOM 0 HG13 VAL A 54 4.684 11.249 4.350 1.00 51.21 H new ATOM 0 HG21 VAL A 54 6.542 9.444 2.676 1.00 53.21 H new ATOM 0 HG22 VAL A 54 6.449 11.209 2.466 1.00 53.21 H new ATOM 0 HG23 VAL A 54 8.017 10.434 2.795 1.00 53.21 H new ATOM 843 N ASN A 55 6.602 13.059 7.013 1.00 1.01 N ATOM 844 CA ASN A 55 6.500 13.264 8.451 1.00 14.22 C ATOM 845 C ASN A 55 5.141 13.845 8.834 1.00 52.10 C ATOM 846 O ASN A 55 4.615 13.555 9.909 1.00 54.14 O ATOM 847 CB ASN A 55 7.634 14.179 8.925 1.00 12.55 C ATOM 848 CG ASN A 55 7.649 14.364 10.429 1.00 23.11 C ATOM 849 OD1 ASN A 55 8.187 13.535 11.161 1.00 42.51 O ATOM 850 ND2 ASN A 55 7.087 15.466 10.896 1.00 44.51 N ATOM 0 H ASN A 55 6.195 13.805 6.448 1.00 1.01 H new ATOM 0 HA ASN A 55 6.592 12.297 8.945 1.00 14.22 H new ATOM 0 HB2 ASN A 55 8.589 13.762 8.605 1.00 12.55 H new ATOM 0 HB3 ASN A 55 7.534 15.152 8.445 1.00 12.55 H new ATOM 0 HD21 ASN A 55 7.089 15.654 11.898 1.00 44.51 H new ATOM 0 HD22 ASN A 55 6.651 16.128 10.254 1.00 44.51 H new ATOM 857 N SER A 56 4.572 14.657 7.954 1.00 3.14 N ATOM 858 CA SER A 56 3.268 15.254 8.202 1.00 53.35 C ATOM 859 C SER A 56 2.142 14.273 7.875 1.00 32.44 C ATOM 860 O SER A 56 1.340 13.921 8.740 1.00 1.43 O ATOM 861 CB SER A 56 3.120 16.537 7.382 1.00 55.55 C ATOM 862 OG SER A 56 3.448 16.315 6.018 1.00 64.13 O ATOM 0 H SER A 56 4.993 14.917 7.062 1.00 3.14 H new ATOM 0 HA SER A 56 3.196 15.499 9.262 1.00 53.35 H new ATOM 0 HB2 SER A 56 2.096 16.904 7.458 1.00 55.55 H new ATOM 0 HB3 SER A 56 3.768 17.311 7.793 1.00 55.55 H new ATOM 0 HG SER A 56 3.343 17.150 5.516 1.00 64.13 H new ATOM 868 N MET A 57 2.091 13.836 6.623 1.00 25.43 N ATOM 869 CA MET A 57 1.067 12.903 6.174 1.00 31.55 C ATOM 870 C MET A 57 1.253 11.543 6.838 1.00 64.54 C ATOM 871 O MET A 57 2.301 10.912 6.693 1.00 4.34 O ATOM 872 CB MET A 57 1.123 12.771 4.653 1.00 12.31 C ATOM 873 CG MET A 57 0.052 11.866 4.070 1.00 25.13 C ATOM 874 SD MET A 57 0.046 11.879 2.265 1.00 3.33 S ATOM 875 CE MET A 57 -0.401 13.583 1.932 1.00 34.41 C ATOM 0 H MET A 57 2.751 14.115 5.897 1.00 25.43 H new ATOM 0 HA MET A 57 0.088 13.287 6.460 1.00 31.55 H new ATOM 0 HB2 MET A 57 1.027 13.762 4.209 1.00 12.31 H new ATOM 0 HB3 MET A 57 2.103 12.387 4.368 1.00 12.31 H new ATOM 0 HG2 MET A 57 0.210 10.847 4.423 1.00 25.13 H new ATOM 0 HG3 MET A 57 -0.925 12.182 4.436 1.00 25.13 H new ATOM 0 HE1 MET A 57 -0.821 13.660 0.929 1.00 34.41 H new ATOM 0 HE2 MET A 57 -1.141 13.914 2.661 1.00 34.41 H new ATOM 0 HE3 MET A 57 0.486 14.212 2.003 1.00 34.41 H new ATOM 885 N ALA A 58 0.238 11.102 7.568 1.00 21.02 N ATOM 886 CA ALA A 58 0.325 9.863 8.327 1.00 34.42 C ATOM 887 C ALA A 58 -0.115 8.670 7.491 1.00 73.30 C ATOM 888 O ALA A 58 -1.073 8.754 6.723 1.00 72.32 O ATOM 889 CB ALA A 58 -0.516 9.963 9.590 1.00 54.11 C ATOM 0 H ALA A 58 -0.657 11.585 7.651 1.00 21.02 H new ATOM 0 HA ALA A 58 1.368 9.709 8.605 1.00 34.42 H new ATOM 0 HB1 ALA A 58 -0.444 9.031 10.150 1.00 54.11 H new ATOM 0 HB2 ALA A 58 -0.152 10.785 10.206 1.00 54.11 H new ATOM 0 HB3 ALA A 58 -1.557 10.145 9.321 1.00 54.11 H new ATOM 895 N LEU A 59 0.595 7.564 7.641 1.00 1.24 N ATOM 896 CA LEU A 59 0.270 6.340 6.927 1.00 74.14 C ATOM 897 C LEU A 59 -0.183 5.278 7.916 1.00 0.24 C ATOM 898 O LEU A 59 0.574 4.885 8.808 1.00 73.33 O ATOM 899 CB LEU A 59 1.486 5.846 6.137 1.00 70.32 C ATOM 900 CG LEU A 59 2.026 6.826 5.092 1.00 32.43 C ATOM 901 CD1 LEU A 59 3.280 6.268 4.439 1.00 22.03 C ATOM 902 CD2 LEU A 59 0.970 7.128 4.041 1.00 32.54 C ATOM 0 H LEU A 59 1.406 7.489 8.255 1.00 1.24 H new ATOM 0 HA LEU A 59 -0.538 6.541 6.224 1.00 74.14 H new ATOM 0 HB2 LEU A 59 2.286 5.612 6.840 1.00 70.32 H new ATOM 0 HB3 LEU A 59 1.220 4.915 5.636 1.00 70.32 H new ATOM 0 HG LEU A 59 2.282 7.757 5.597 1.00 32.43 H new ATOM 0 HD11 LEU A 59 3.651 6.977 3.699 1.00 22.03 H new ATOM 0 HD12 LEU A 59 4.044 6.104 5.199 1.00 22.03 H new ATOM 0 HD13 LEU A 59 3.046 5.322 3.950 1.00 22.03 H new ATOM 0 HD21 LEU A 59 1.375 7.826 3.309 1.00 32.54 H new ATOM 0 HD22 LEU A 59 0.680 6.204 3.540 1.00 32.54 H new ATOM 0 HD23 LEU A 59 0.096 7.570 4.520 1.00 32.54 H new ATOM 914 N GLU A 60 -1.420 4.831 7.773 1.00 3.21 N ATOM 915 CA GLU A 60 -1.981 3.848 8.685 1.00 51.04 C ATOM 916 C GLU A 60 -2.162 2.501 8.006 1.00 15.51 C ATOM 917 O GLU A 60 -2.649 2.421 6.878 1.00 22.21 O ATOM 918 CB GLU A 60 -3.319 4.333 9.233 1.00 20.53 C ATOM 919 CG GLU A 60 -3.207 5.552 10.131 1.00 62.13 C ATOM 920 CD GLU A 60 -2.272 5.318 11.298 1.00 65.41 C ATOM 921 OE1 GLU A 60 -2.292 4.208 11.871 1.00 14.13 O ATOM 922 OE2 GLU A 60 -1.517 6.244 11.655 1.00 64.33 O ATOM 0 H GLU A 60 -2.055 5.133 7.034 1.00 3.21 H new ATOM 0 HA GLU A 60 -1.278 3.724 9.509 1.00 51.04 H new ATOM 0 HB2 GLU A 60 -3.980 4.568 8.398 1.00 20.53 H new ATOM 0 HB3 GLU A 60 -3.787 3.523 9.792 1.00 20.53 H new ATOM 0 HG2 GLU A 60 -2.851 6.400 9.547 1.00 62.13 H new ATOM 0 HG3 GLU A 60 -4.195 5.816 10.507 1.00 62.13 H new ATOM 929 N LEU A 61 -1.767 1.450 8.710 1.00 41.20 N ATOM 930 CA LEU A 61 -1.930 0.088 8.227 1.00 43.04 C ATOM 931 C LEU A 61 -3.125 -0.561 8.911 1.00 1.12 C ATOM 932 O LEU A 61 -3.088 -0.841 10.111 1.00 52.05 O ATOM 933 CB LEU A 61 -0.660 -0.725 8.501 1.00 74.20 C ATOM 934 CG LEU A 61 -0.712 -2.192 8.062 1.00 55.31 C ATOM 935 CD1 LEU A 61 -0.877 -2.296 6.554 1.00 64.41 C ATOM 936 CD2 LEU A 61 0.540 -2.928 8.518 1.00 34.34 C ATOM 0 H LEU A 61 -1.327 1.517 9.628 1.00 41.20 H new ATOM 0 HA LEU A 61 -2.104 0.111 7.151 1.00 43.04 H new ATOM 0 HB2 LEU A 61 0.176 -0.242 7.996 1.00 74.20 H new ATOM 0 HB3 LEU A 61 -0.450 -0.690 9.570 1.00 74.20 H new ATOM 0 HG LEU A 61 -1.577 -2.661 8.531 1.00 55.31 H new ATOM 0 HD11 LEU A 61 -0.912 -3.346 6.263 1.00 64.41 H new ATOM 0 HD12 LEU A 61 -1.803 -1.806 6.255 1.00 64.41 H new ATOM 0 HD13 LEU A 61 -0.034 -1.811 6.061 1.00 64.41 H new ATOM 0 HD21 LEU A 61 0.487 -3.969 8.198 1.00 34.34 H new ATOM 0 HD22 LEU A 61 1.419 -2.457 8.078 1.00 34.34 H new ATOM 0 HD23 LEU A 61 0.611 -2.886 9.605 1.00 34.34 H new ATOM 948 N TYR A 62 -4.192 -0.770 8.157 1.00 14.11 N ATOM 949 CA TYR A 62 -5.399 -1.365 8.708 1.00 44.10 C ATOM 950 C TYR A 62 -5.628 -2.775 8.177 1.00 63.41 C ATOM 951 O TYR A 62 -5.523 -3.030 6.975 1.00 14.44 O ATOM 952 CB TYR A 62 -6.623 -0.498 8.397 1.00 61.05 C ATOM 953 CG TYR A 62 -6.618 0.846 9.089 1.00 44.10 C ATOM 954 CD1 TYR A 62 -6.699 0.936 10.472 1.00 53.33 C ATOM 955 CD2 TYR A 62 -6.533 2.022 8.359 1.00 72.35 C ATOM 956 CE1 TYR A 62 -6.697 2.163 11.108 1.00 11.05 C ATOM 957 CE2 TYR A 62 -6.530 3.252 8.987 1.00 74.11 C ATOM 958 CZ TYR A 62 -6.611 3.318 10.361 1.00 64.23 C ATOM 959 OH TYR A 62 -6.608 4.545 10.988 1.00 44.53 O ATOM 0 H TYR A 62 -4.247 -0.538 7.165 1.00 14.11 H new ATOM 0 HA TYR A 62 -5.261 -1.423 9.788 1.00 44.10 H new ATOM 0 HB2 TYR A 62 -6.679 -0.340 7.320 1.00 61.05 H new ATOM 0 HB3 TYR A 62 -7.523 -1.041 8.687 1.00 61.05 H new ATOM 0 HD1 TYR A 62 -6.765 0.033 11.060 1.00 53.33 H new ATOM 0 HD2 TYR A 62 -6.468 1.975 7.282 1.00 72.35 H new ATOM 0 HE1 TYR A 62 -6.762 2.216 12.185 1.00 11.05 H new ATOM 0 HE2 TYR A 62 -6.464 4.158 8.404 1.00 74.11 H new ATOM 0 HH TYR A 62 -6.541 5.255 10.316 1.00 44.53 H new ATOM 969 N ASP A 63 -5.938 -3.680 9.090 1.00 62.24 N ATOM 970 CA ASP A 63 -6.311 -5.040 8.740 1.00 51.43 C ATOM 971 C ASP A 63 -7.807 -5.105 8.469 1.00 43.04 C ATOM 972 O ASP A 63 -8.616 -4.791 9.348 1.00 63.21 O ATOM 973 CB ASP A 63 -5.930 -6.006 9.865 1.00 10.23 C ATOM 974 CG ASP A 63 -6.613 -7.354 9.738 1.00 53.15 C ATOM 975 OD1 ASP A 63 -6.182 -8.172 8.901 1.00 74.35 O ATOM 976 OD2 ASP A 63 -7.576 -7.607 10.497 1.00 33.31 O ATOM 0 H ASP A 63 -5.938 -3.493 10.093 1.00 62.24 H new ATOM 0 HA ASP A 63 -5.772 -5.336 7.840 1.00 51.43 H new ATOM 0 HB2 ASP A 63 -4.850 -6.150 9.864 1.00 10.23 H new ATOM 0 HB3 ASP A 63 -6.191 -5.560 10.825 1.00 10.23 H new ATOM 981 N ASP A 64 -8.147 -5.471 7.235 1.00 62.11 N ATOM 982 CA ASP A 64 -9.530 -5.550 6.760 1.00 52.14 C ATOM 983 C ASP A 64 -10.136 -4.159 6.624 1.00 11.11 C ATOM 984 O ASP A 64 -10.458 -3.715 5.518 1.00 1.21 O ATOM 985 CB ASP A 64 -10.397 -6.420 7.679 1.00 15.13 C ATOM 986 CG ASP A 64 -11.845 -6.468 7.233 1.00 3.23 C ATOM 987 OD1 ASP A 64 -12.147 -7.167 6.240 1.00 24.22 O ATOM 988 OD2 ASP A 64 -12.694 -5.814 7.877 1.00 24.34 O ATOM 0 H ASP A 64 -7.460 -5.725 6.525 1.00 62.11 H new ATOM 0 HA ASP A 64 -9.508 -6.021 5.777 1.00 52.14 H new ATOM 0 HB2 ASP A 64 -9.993 -7.432 7.703 1.00 15.13 H new ATOM 0 HB3 ASP A 64 -10.346 -6.032 8.696 1.00 15.13 H new ATOM 993 N SER A 65 -10.257 -3.469 7.747 1.00 64.42 N ATOM 994 CA SER A 65 -10.831 -2.128 7.789 1.00 71.10 C ATOM 995 C SER A 65 -10.512 -1.430 9.112 1.00 25.33 C ATOM 996 O SER A 65 -9.786 -0.437 9.142 1.00 63.04 O ATOM 997 CB SER A 65 -12.354 -2.167 7.590 1.00 51.03 C ATOM 998 OG SER A 65 -12.706 -2.631 6.295 1.00 24.13 O ATOM 0 H SER A 65 -9.961 -3.821 8.657 1.00 64.42 H new ATOM 0 HA SER A 65 -10.381 -1.564 6.972 1.00 71.10 H new ATOM 0 HB2 SER A 65 -12.802 -2.816 8.343 1.00 51.03 H new ATOM 0 HB3 SER A 65 -12.766 -1.170 7.743 1.00 51.03 H new ATOM 0 HG SER A 65 -11.899 -2.710 5.745 1.00 24.13 H new ATOM 1004 N GLY A 66 -11.051 -1.962 10.207 1.00 55.50 N ATOM 1005 CA GLY A 66 -10.974 -1.266 11.483 1.00 21.42 C ATOM 1006 C GLY A 66 -9.808 -1.699 12.357 1.00 24.03 C ATOM 1007 O GLY A 66 -9.489 -1.027 13.342 1.00 30.32 O ATOM 0 H GLY A 66 -11.538 -2.858 10.235 1.00 55.50 H new ATOM 0 HA2 GLY A 66 -10.896 -0.195 11.296 1.00 21.42 H new ATOM 0 HA3 GLY A 66 -11.903 -1.427 12.029 1.00 21.42 H new ATOM 1011 N SER A 67 -9.176 -2.814 12.017 1.00 40.10 N ATOM 1012 CA SER A 67 -8.064 -3.318 12.812 1.00 22.30 C ATOM 1013 C SER A 67 -6.811 -2.474 12.580 1.00 75.13 C ATOM 1014 O SER A 67 -6.187 -2.554 11.525 1.00 54.30 O ATOM 1015 CB SER A 67 -7.780 -4.779 12.462 1.00 15.42 C ATOM 1016 OG SER A 67 -8.955 -5.572 12.534 1.00 63.40 O ATOM 0 H SER A 67 -9.411 -3.383 11.204 1.00 40.10 H new ATOM 0 HA SER A 67 -8.339 -3.253 13.865 1.00 22.30 H new ATOM 0 HB2 SER A 67 -7.362 -4.838 11.457 1.00 15.42 H new ATOM 0 HB3 SER A 67 -7.029 -5.178 13.144 1.00 15.42 H new ATOM 0 HG SER A 67 -8.853 -6.361 11.961 1.00 63.40 H new ATOM 1022 N LYS A 68 -6.458 -1.654 13.560 1.00 24.25 N ATOM 1023 CA LYS A 68 -5.283 -0.804 13.450 1.00 52.35 C ATOM 1024 C LYS A 68 -4.032 -1.599 13.806 1.00 61.01 C ATOM 1025 O LYS A 68 -3.631 -1.664 14.967 1.00 41.10 O ATOM 1026 CB LYS A 68 -5.431 0.409 14.367 1.00 13.55 C ATOM 1027 CG LYS A 68 -4.476 1.552 14.059 1.00 22.31 C ATOM 1028 CD LYS A 68 -4.633 2.673 15.069 1.00 0.34 C ATOM 1029 CE LYS A 68 -3.895 3.938 14.652 1.00 21.43 C ATOM 1030 NZ LYS A 68 -2.436 3.719 14.479 1.00 55.30 N ATOM 0 H LYS A 68 -6.968 -1.560 14.438 1.00 24.25 H new ATOM 0 HA LYS A 68 -5.188 -0.452 12.423 1.00 52.35 H new ATOM 0 HB2 LYS A 68 -6.454 0.778 14.298 1.00 13.55 H new ATOM 0 HB3 LYS A 68 -5.276 0.091 15.398 1.00 13.55 H new ATOM 0 HG2 LYS A 68 -3.449 1.187 14.071 1.00 22.31 H new ATOM 0 HG3 LYS A 68 -4.668 1.931 13.055 1.00 22.31 H new ATOM 0 HD2 LYS A 68 -5.692 2.898 15.196 1.00 0.34 H new ATOM 0 HD3 LYS A 68 -4.260 2.341 16.038 1.00 0.34 H new ATOM 0 HE2 LYS A 68 -4.316 4.308 13.717 1.00 21.43 H new ATOM 0 HE3 LYS A 68 -4.056 4.712 15.403 1.00 21.43 H new ATOM 0 HZ1 LYS A 68 -1.911 4.382 15.084 1.00 55.30 H new ATOM 0 HZ2 LYS A 68 -2.197 2.743 14.747 1.00 55.30 H new ATOM 0 HZ3 LYS A 68 -2.177 3.878 13.485 1.00 55.30 H new ATOM 1044 N VAL A 69 -3.435 -2.219 12.801 1.00 45.24 N ATOM 1045 CA VAL A 69 -2.285 -3.092 13.007 1.00 54.41 C ATOM 1046 C VAL A 69 -1.021 -2.473 12.420 1.00 3.33 C ATOM 1047 O VAL A 69 -0.186 -3.161 11.836 1.00 72.42 O ATOM 1048 CB VAL A 69 -2.521 -4.484 12.373 1.00 51.42 C ATOM 1049 CG1 VAL A 69 -3.626 -5.226 13.112 1.00 75.32 C ATOM 1050 CG2 VAL A 69 -2.855 -4.359 10.889 1.00 63.11 C ATOM 0 H VAL A 69 -3.728 -2.135 11.828 1.00 45.24 H new ATOM 0 HA VAL A 69 -2.156 -3.213 14.083 1.00 54.41 H new ATOM 0 HB VAL A 69 -1.599 -5.059 12.463 1.00 51.42 H new ATOM 0 HG11 VAL A 69 -3.779 -6.203 12.653 1.00 75.32 H new ATOM 0 HG12 VAL A 69 -3.341 -5.356 14.156 1.00 75.32 H new ATOM 0 HG13 VAL A 69 -4.550 -4.651 13.057 1.00 75.32 H new ATOM 0 HG21 VAL A 69 -3.016 -5.351 10.467 1.00 63.11 H new ATOM 0 HG22 VAL A 69 -3.759 -3.762 10.769 1.00 63.11 H new ATOM 0 HG23 VAL A 69 -2.028 -3.874 10.370 1.00 63.11 H new ATOM 1060 N ALA A 70 -0.881 -1.168 12.598 1.00 62.24 N ATOM 1061 CA ALA A 70 0.255 -0.443 12.052 1.00 54.22 C ATOM 1062 C ALA A 70 1.548 -0.801 12.783 1.00 12.21 C ATOM 1063 O ALA A 70 1.862 -0.232 13.827 1.00 61.05 O ATOM 1064 CB ALA A 70 0.003 1.053 12.119 1.00 11.41 C ATOM 0 H ALA A 70 -1.541 -0.589 13.117 1.00 62.24 H new ATOM 0 HA ALA A 70 0.372 -0.736 11.009 1.00 54.22 H new ATOM 0 HB1 ALA A 70 0.861 1.585 11.707 1.00 11.41 H new ATOM 0 HB2 ALA A 70 -0.888 1.298 11.541 1.00 11.41 H new ATOM 0 HB3 ALA A 70 -0.145 1.351 13.157 1.00 11.41 H new ATOM 1070 N VAL A 71 2.269 -1.773 12.244 1.00 12.22 N ATOM 1071 CA VAL A 71 3.556 -2.170 12.789 1.00 71.23 C ATOM 1072 C VAL A 71 4.493 -2.612 11.663 1.00 73.14 C ATOM 1073 O VAL A 71 4.196 -3.547 10.918 1.00 15.32 O ATOM 1074 CB VAL A 71 3.409 -3.294 13.852 1.00 63.02 C ATOM 1075 CG1 VAL A 71 2.643 -4.489 13.297 1.00 65.31 C ATOM 1076 CG2 VAL A 71 4.772 -3.728 14.376 1.00 63.24 C ATOM 0 H VAL A 71 1.980 -2.304 11.423 1.00 12.22 H new ATOM 0 HA VAL A 71 3.988 -1.303 13.290 1.00 71.23 H new ATOM 0 HB VAL A 71 2.834 -2.886 14.683 1.00 63.02 H new ATOM 0 HG11 VAL A 71 2.559 -5.256 14.067 1.00 65.31 H new ATOM 0 HG12 VAL A 71 1.646 -4.172 12.990 1.00 65.31 H new ATOM 0 HG13 VAL A 71 3.175 -4.895 12.437 1.00 65.31 H new ATOM 0 HG21 VAL A 71 4.642 -4.515 15.119 1.00 63.24 H new ATOM 0 HG22 VAL A 71 5.376 -4.104 13.550 1.00 63.24 H new ATOM 0 HG23 VAL A 71 5.274 -2.876 14.835 1.00 63.24 H new ATOM 1086 N LEU A 72 5.606 -1.911 11.524 1.00 72.30 N ATOM 1087 CA LEU A 72 6.578 -2.219 10.486 1.00 65.03 C ATOM 1088 C LEU A 72 7.987 -1.930 10.984 1.00 32.12 C ATOM 1089 O LEU A 72 8.305 -0.796 11.346 1.00 55.13 O ATOM 1090 CB LEU A 72 6.289 -1.405 9.225 1.00 52.52 C ATOM 1091 CG LEU A 72 7.218 -1.683 8.042 1.00 51.55 C ATOM 1092 CD1 LEU A 72 7.090 -3.131 7.585 1.00 34.42 C ATOM 1093 CD2 LEU A 72 6.909 -0.732 6.898 1.00 74.31 C ATOM 0 H LEU A 72 5.860 -1.122 12.119 1.00 72.30 H new ATOM 0 HA LEU A 72 6.500 -3.278 10.242 1.00 65.03 H new ATOM 0 HB2 LEU A 72 5.263 -1.600 8.914 1.00 52.52 H new ATOM 0 HB3 LEU A 72 6.351 -0.346 9.474 1.00 52.52 H new ATOM 0 HG LEU A 72 8.247 -1.519 8.363 1.00 51.55 H new ATOM 0 HD11 LEU A 72 7.759 -3.307 6.743 1.00 34.42 H new ATOM 0 HD12 LEU A 72 7.357 -3.797 8.406 1.00 34.42 H new ATOM 0 HD13 LEU A 72 6.062 -3.326 7.279 1.00 34.42 H new ATOM 0 HD21 LEU A 72 7.577 -0.940 6.062 1.00 74.31 H new ATOM 0 HD22 LEU A 72 5.876 -0.869 6.580 1.00 74.31 H new ATOM 0 HD23 LEU A 72 7.053 0.296 7.231 1.00 74.31 H new ATOM 1105 N SER A 73 8.819 -2.960 11.020 1.00 12.13 N ATOM 1106 CA SER A 73 10.179 -2.814 11.509 1.00 73.54 C ATOM 1107 C SER A 73 11.192 -3.239 10.440 1.00 63.50 C ATOM 1108 O SER A 73 12.338 -2.791 10.445 1.00 60.43 O ATOM 1109 CB SER A 73 10.363 -3.644 12.783 1.00 25.14 C ATOM 1110 OG SER A 73 11.414 -3.131 13.592 1.00 41.10 O ATOM 0 H SER A 73 8.576 -3.903 10.717 1.00 12.13 H new ATOM 0 HA SER A 73 10.356 -1.764 11.740 1.00 73.54 H new ATOM 0 HB2 SER A 73 9.434 -3.649 13.352 1.00 25.14 H new ATOM 0 HB3 SER A 73 10.579 -4.679 12.516 1.00 25.14 H new ATOM 0 HG SER A 73 11.505 -3.681 14.398 1.00 41.10 H new ATOM 1116 N ASP A 74 10.759 -4.089 9.515 1.00 55.55 N ATOM 1117 CA ASP A 74 11.635 -4.597 8.459 1.00 50.42 C ATOM 1118 C ASP A 74 11.483 -3.781 7.180 1.00 43.05 C ATOM 1119 O ASP A 74 11.268 -4.328 6.100 1.00 41.24 O ATOM 1120 CB ASP A 74 11.367 -6.084 8.169 1.00 50.30 C ATOM 1121 CG ASP A 74 10.034 -6.580 8.698 1.00 4.31 C ATOM 1122 OD1 ASP A 74 9.004 -5.923 8.456 1.00 13.31 O ATOM 1123 OD2 ASP A 74 10.024 -7.628 9.385 1.00 2.34 O ATOM 0 H ASP A 74 9.803 -4.443 9.473 1.00 55.55 H new ATOM 0 HA ASP A 74 12.660 -4.498 8.818 1.00 50.42 H new ATOM 0 HB2 ASP A 74 11.403 -6.247 7.092 1.00 50.30 H new ATOM 0 HB3 ASP A 74 12.167 -6.680 8.609 1.00 50.30 H new ATOM 1128 N ASP A 75 11.615 -2.465 7.314 1.00 2.31 N ATOM 1129 CA ASP A 75 11.559 -1.553 6.170 1.00 32.25 C ATOM 1130 C ASP A 75 12.621 -1.912 5.136 1.00 42.13 C ATOM 1131 O ASP A 75 12.386 -1.858 3.928 1.00 33.13 O ATOM 1132 CB ASP A 75 11.776 -0.103 6.622 1.00 13.31 C ATOM 1133 CG ASP A 75 10.664 0.420 7.508 1.00 54.51 C ATOM 1134 OD1 ASP A 75 10.600 0.021 8.687 1.00 21.35 O ATOM 1135 OD2 ASP A 75 9.855 1.244 7.031 1.00 24.15 O ATOM 0 H ASP A 75 11.763 -2.001 8.210 1.00 2.31 H new ATOM 0 HA ASP A 75 10.571 -1.651 5.721 1.00 32.25 H new ATOM 0 HB2 ASP A 75 12.722 -0.035 7.159 1.00 13.31 H new ATOM 0 HB3 ASP A 75 11.862 0.536 5.743 1.00 13.31 H new ATOM 1140 N SER A 76 13.790 -2.293 5.623 1.00 43.21 N ATOM 1141 CA SER A 76 14.912 -2.619 4.761 1.00 61.33 C ATOM 1142 C SER A 76 14.926 -4.103 4.394 1.00 64.44 C ATOM 1143 O SER A 76 15.956 -4.654 4.006 1.00 45.23 O ATOM 1144 CB SER A 76 16.207 -2.221 5.464 1.00 55.32 C ATOM 1145 OG SER A 76 16.122 -2.457 6.864 1.00 42.01 O ATOM 0 H SER A 76 13.987 -2.384 6.620 1.00 43.21 H new ATOM 0 HA SER A 76 14.815 -2.063 3.828 1.00 61.33 H new ATOM 0 HB2 SER A 76 17.040 -2.787 5.046 1.00 55.32 H new ATOM 0 HB3 SER A 76 16.414 -1.167 5.282 1.00 55.32 H new ATOM 0 HG SER A 76 16.964 -2.196 7.292 1.00 42.01 H new ATOM 1151 N ARG A 77 13.769 -4.743 4.500 1.00 33.03 N ATOM 1152 CA ARG A 77 13.636 -6.153 4.170 1.00 25.12 C ATOM 1153 C ARG A 77 12.532 -6.359 3.140 1.00 73.30 C ATOM 1154 O ARG A 77 11.634 -5.526 3.016 1.00 71.23 O ATOM 1155 CB ARG A 77 13.351 -6.962 5.437 1.00 55.13 C ATOM 1156 CG ARG A 77 14.559 -7.079 6.348 1.00 55.24 C ATOM 1157 CD ARG A 77 15.650 -7.896 5.682 1.00 30.02 C ATOM 1158 NE ARG A 77 16.987 -7.526 6.140 1.00 33.14 N ATOM 1159 CZ ARG A 77 18.104 -8.121 5.723 1.00 64.43 C ATOM 1160 NH1 ARG A 77 18.042 -9.198 4.949 1.00 73.25 N ATOM 1161 NH2 ARG A 77 19.286 -7.648 6.098 1.00 72.34 N ATOM 0 H ARG A 77 12.904 -4.303 4.814 1.00 33.03 H new ATOM 0 HA ARG A 77 14.573 -6.503 3.736 1.00 25.12 H new ATOM 0 HB2 ARG A 77 12.533 -6.493 5.985 1.00 55.13 H new ATOM 0 HB3 ARG A 77 13.016 -7.961 5.157 1.00 55.13 H new ATOM 0 HG2 ARG A 77 14.937 -6.086 6.590 1.00 55.24 H new ATOM 0 HG3 ARG A 77 14.269 -7.547 7.288 1.00 55.24 H new ATOM 0 HD2 ARG A 77 15.481 -8.954 5.883 1.00 30.02 H new ATOM 0 HD3 ARG A 77 15.590 -7.763 4.602 1.00 30.02 H new ATOM 0 HE ARG A 77 17.070 -6.769 6.818 1.00 33.14 H new ATOM 0 HH11 ARG A 77 17.136 -9.574 4.670 1.00 73.25 H new ATOM 0 HH12 ARG A 77 18.901 -9.649 4.633 1.00 73.25 H new ATOM 0 HH21 ARG A 77 19.339 -6.830 6.705 1.00 72.34 H new ATOM 0 HH22 ARG A 77 20.142 -8.103 5.779 1.00 72.34 H new ATOM 1175 N PRO A 78 12.610 -7.450 2.359 1.00 32.14 N ATOM 1176 CA PRO A 78 11.593 -7.778 1.362 1.00 44.41 C ATOM 1177 C PRO A 78 10.289 -8.248 2.001 1.00 2.22 C ATOM 1178 O PRO A 78 10.266 -9.236 2.732 1.00 35.41 O ATOM 1179 CB PRO A 78 12.231 -8.914 0.556 1.00 62.24 C ATOM 1180 CG PRO A 78 13.206 -9.542 1.488 1.00 71.22 C ATOM 1181 CD PRO A 78 13.705 -8.438 2.379 1.00 2.33 C ATOM 0 HA PRO A 78 11.322 -6.912 0.758 1.00 44.41 H new ATOM 0 HB2 PRO A 78 11.482 -9.633 0.224 1.00 62.24 H new ATOM 0 HB3 PRO A 78 12.726 -8.535 -0.338 1.00 62.24 H new ATOM 0 HG2 PRO A 78 12.733 -10.331 2.073 1.00 71.22 H new ATOM 0 HG3 PRO A 78 14.028 -10.002 0.940 1.00 71.22 H new ATOM 0 HD2 PRO A 78 13.902 -8.797 3.389 1.00 2.33 H new ATOM 0 HD3 PRO A 78 14.636 -8.012 2.005 1.00 2.33 H new ATOM 1189 N LEU A 79 9.204 -7.541 1.703 1.00 14.23 N ATOM 1190 CA LEU A 79 7.879 -7.873 2.231 1.00 74.33 C ATOM 1191 C LEU A 79 7.500 -9.333 1.941 1.00 33.43 C ATOM 1192 O LEU A 79 6.637 -9.908 2.605 1.00 55.25 O ATOM 1193 CB LEU A 79 6.835 -6.930 1.617 1.00 53.15 C ATOM 1194 CG LEU A 79 5.400 -7.114 2.119 1.00 61.05 C ATOM 1195 CD1 LEU A 79 5.299 -6.781 3.602 1.00 10.13 C ATOM 1196 CD2 LEU A 79 4.442 -6.256 1.306 1.00 43.32 C ATOM 0 H LEU A 79 9.214 -6.725 1.092 1.00 14.23 H new ATOM 0 HA LEU A 79 7.904 -7.748 3.314 1.00 74.33 H new ATOM 0 HB2 LEU A 79 7.140 -5.902 1.813 1.00 53.15 H new ATOM 0 HB3 LEU A 79 6.842 -7.064 0.535 1.00 53.15 H new ATOM 0 HG LEU A 79 5.121 -8.160 1.990 1.00 61.05 H new ATOM 0 HD11 LEU A 79 4.271 -6.919 3.937 1.00 10.13 H new ATOM 0 HD12 LEU A 79 5.956 -7.440 4.169 1.00 10.13 H new ATOM 0 HD13 LEU A 79 5.597 -5.745 3.763 1.00 10.13 H new ATOM 0 HD21 LEU A 79 3.426 -6.397 1.674 1.00 43.32 H new ATOM 0 HD22 LEU A 79 4.721 -5.207 1.404 1.00 43.32 H new ATOM 0 HD23 LEU A 79 4.492 -6.549 0.257 1.00 43.32 H new ATOM 1208 N GLY A 80 8.168 -9.931 0.962 1.00 45.31 N ATOM 1209 CA GLY A 80 7.858 -11.290 0.569 1.00 51.34 C ATOM 1210 C GLY A 80 8.200 -12.319 1.630 1.00 21.41 C ATOM 1211 O GLY A 80 7.521 -13.338 1.743 1.00 73.11 O ATOM 0 H GLY A 80 8.922 -9.495 0.432 1.00 45.31 H new ATOM 0 HA2 GLY A 80 6.795 -11.359 0.336 1.00 51.34 H new ATOM 0 HA3 GLY A 80 8.401 -11.528 -0.346 1.00 51.34 H new ATOM 1215 N PHE A 81 9.241 -12.064 2.418 1.00 31.22 N ATOM 1216 CA PHE A 81 9.671 -13.037 3.419 1.00 73.22 C ATOM 1217 C PHE A 81 8.842 -12.888 4.691 1.00 34.41 C ATOM 1218 O PHE A 81 8.845 -13.761 5.559 1.00 0.43 O ATOM 1219 CB PHE A 81 11.179 -12.903 3.704 1.00 43.21 C ATOM 1220 CG PHE A 81 11.541 -12.097 4.926 1.00 52.45 C ATOM 1221 CD1 PHE A 81 11.469 -10.715 4.915 1.00 62.45 C ATOM 1222 CD2 PHE A 81 11.965 -12.734 6.081 1.00 74.12 C ATOM 1223 CE1 PHE A 81 11.809 -9.981 6.036 1.00 4.14 C ATOM 1224 CE2 PHE A 81 12.307 -12.006 7.203 1.00 32.42 C ATOM 1225 CZ PHE A 81 12.229 -10.627 7.181 1.00 1.21 C ATOM 0 H PHE A 81 9.794 -11.208 2.385 1.00 31.22 H new ATOM 0 HA PHE A 81 9.505 -14.040 3.026 1.00 73.22 H new ATOM 0 HB2 PHE A 81 11.601 -13.902 3.812 1.00 43.21 H new ATOM 0 HB3 PHE A 81 11.656 -12.448 2.836 1.00 43.21 H new ATOM 0 HD1 PHE A 81 11.144 -10.204 4.021 1.00 62.45 H new ATOM 0 HD2 PHE A 81 12.029 -13.812 6.104 1.00 74.12 H new ATOM 0 HE1 PHE A 81 11.746 -8.903 6.016 1.00 4.14 H new ATOM 0 HE2 PHE A 81 12.635 -12.514 8.098 1.00 32.42 H new ATOM 0 HZ PHE A 81 12.496 -10.056 8.058 1.00 1.21 H new ATOM 1235 N PHE A 82 8.113 -11.783 4.779 1.00 0.44 N ATOM 1236 CA PHE A 82 7.252 -11.524 5.925 1.00 63.22 C ATOM 1237 C PHE A 82 5.965 -12.336 5.820 1.00 25.31 C ATOM 1238 O PHE A 82 5.332 -12.639 6.831 1.00 11.12 O ATOM 1239 CB PHE A 82 6.930 -10.026 6.018 1.00 71.45 C ATOM 1240 CG PHE A 82 6.083 -9.654 7.203 1.00 22.21 C ATOM 1241 CD1 PHE A 82 6.645 -9.536 8.462 1.00 41.21 C ATOM 1242 CD2 PHE A 82 4.723 -9.417 7.057 1.00 52.52 C ATOM 1243 CE1 PHE A 82 5.873 -9.191 9.554 1.00 35.55 C ATOM 1244 CE2 PHE A 82 3.946 -9.073 8.146 1.00 13.52 C ATOM 1245 CZ PHE A 82 4.522 -8.959 9.395 1.00 65.45 C ATOM 0 H PHE A 82 8.101 -11.051 4.069 1.00 0.44 H new ATOM 0 HA PHE A 82 7.778 -11.827 6.830 1.00 63.22 H new ATOM 0 HB2 PHE A 82 7.864 -9.466 6.062 1.00 71.45 H new ATOM 0 HB3 PHE A 82 6.417 -9.718 5.107 1.00 71.45 H new ATOM 0 HD1 PHE A 82 7.702 -9.716 8.592 1.00 41.21 H new ATOM 0 HD2 PHE A 82 4.268 -9.502 6.081 1.00 52.52 H new ATOM 0 HE1 PHE A 82 6.326 -9.103 10.531 1.00 35.55 H new ATOM 0 HE2 PHE A 82 2.889 -8.893 8.020 1.00 13.52 H new ATOM 0 HZ PHE A 82 3.916 -8.688 10.247 1.00 65.45 H new ATOM 1255 N SER A 83 5.609 -12.705 4.588 1.00 42.10 N ATOM 1256 CA SER A 83 4.371 -13.431 4.303 1.00 34.14 C ATOM 1257 C SER A 83 3.148 -12.571 4.634 1.00 74.22 C ATOM 1258 O SER A 83 2.660 -12.560 5.767 1.00 12.22 O ATOM 1259 CB SER A 83 4.325 -14.758 5.066 1.00 32.54 C ATOM 1260 OG SER A 83 5.503 -15.519 4.833 1.00 42.15 O ATOM 0 H SER A 83 6.171 -12.509 3.760 1.00 42.10 H new ATOM 0 HA SER A 83 4.351 -13.655 3.237 1.00 34.14 H new ATOM 0 HB2 SER A 83 4.217 -14.565 6.133 1.00 32.54 H new ATOM 0 HB3 SER A 83 3.451 -15.330 4.756 1.00 32.54 H new ATOM 0 HG SER A 83 5.452 -16.361 5.331 1.00 42.15 H new ATOM 1266 N PRO A 84 2.659 -11.811 3.644 1.00 23.33 N ATOM 1267 CA PRO A 84 1.513 -10.920 3.825 1.00 73.33 C ATOM 1268 C PRO A 84 0.181 -11.667 3.808 1.00 31.14 C ATOM 1269 O PRO A 84 0.108 -12.820 3.384 1.00 43.35 O ATOM 1270 CB PRO A 84 1.619 -9.981 2.628 1.00 24.23 C ATOM 1271 CG PRO A 84 2.277 -10.794 1.565 1.00 65.33 C ATOM 1272 CD PRO A 84 3.187 -11.766 2.268 1.00 53.14 C ATOM 0 HA PRO A 84 1.533 -10.414 4.790 1.00 73.33 H new ATOM 0 HB2 PRO A 84 0.636 -9.634 2.309 1.00 24.23 H new ATOM 0 HB3 PRO A 84 2.207 -9.096 2.870 1.00 24.23 H new ATOM 0 HG2 PRO A 84 1.535 -11.322 0.966 1.00 65.33 H new ATOM 0 HG3 PRO A 84 2.842 -10.157 0.884 1.00 65.33 H new ATOM 0 HD2 PRO A 84 3.162 -12.749 1.798 1.00 53.14 H new ATOM 0 HD3 PRO A 84 4.224 -11.429 2.248 1.00 53.14 H new ATOM 1280 N PHE A 85 -0.865 -11.000 4.278 1.00 0.54 N ATOM 1281 CA PHE A 85 -2.197 -11.588 4.313 1.00 1.05 C ATOM 1282 C PHE A 85 -2.788 -11.644 2.905 1.00 54.44 C ATOM 1283 O PHE A 85 -2.956 -12.719 2.334 1.00 31.11 O ATOM 1284 CB PHE A 85 -3.100 -10.781 5.251 1.00 63.34 C ATOM 1285 CG PHE A 85 -4.449 -11.397 5.488 1.00 34.32 C ATOM 1286 CD1 PHE A 85 -4.573 -12.557 6.234 1.00 63.52 C ATOM 1287 CD2 PHE A 85 -5.594 -10.812 4.969 1.00 12.13 C ATOM 1288 CE1 PHE A 85 -5.813 -13.125 6.458 1.00 40.40 C ATOM 1289 CE2 PHE A 85 -6.838 -11.374 5.190 1.00 3.12 C ATOM 1290 CZ PHE A 85 -6.948 -12.532 5.936 1.00 72.21 C ATOM 0 H PHE A 85 -0.816 -10.048 4.641 1.00 0.54 H new ATOM 0 HA PHE A 85 -2.127 -12.607 4.693 1.00 1.05 H new ATOM 0 HB2 PHE A 85 -2.595 -10.661 6.209 1.00 63.34 H new ATOM 0 HB3 PHE A 85 -3.237 -9.783 4.835 1.00 63.34 H new ATOM 0 HD1 PHE A 85 -3.690 -13.023 6.646 1.00 63.52 H new ATOM 0 HD2 PHE A 85 -5.513 -9.907 4.385 1.00 12.13 H new ATOM 0 HE1 PHE A 85 -5.895 -14.031 7.040 1.00 40.40 H new ATOM 0 HE2 PHE A 85 -7.722 -10.909 4.780 1.00 3.12 H new ATOM 0 HZ PHE A 85 -7.918 -12.973 6.111 1.00 72.21 H new ATOM 1300 N ASP A 86 -3.096 -10.473 2.352 1.00 63.43 N ATOM 1301 CA ASP A 86 -3.575 -10.363 0.975 1.00 44.31 C ATOM 1302 C ASP A 86 -3.701 -8.902 0.585 1.00 11.15 C ATOM 1303 O ASP A 86 -2.942 -8.394 -0.240 1.00 65.22 O ATOM 1304 CB ASP A 86 -4.937 -11.044 0.783 1.00 30.32 C ATOM 1305 CG ASP A 86 -5.424 -10.958 -0.657 1.00 62.30 C ATOM 1306 OD1 ASP A 86 -5.969 -9.904 -1.057 1.00 72.14 O ATOM 1307 OD2 ASP A 86 -5.268 -11.949 -1.398 1.00 24.23 O ATOM 0 H ASP A 86 -3.022 -9.581 2.840 1.00 63.43 H new ATOM 0 HA ASP A 86 -2.846 -10.866 0.340 1.00 44.31 H new ATOM 0 HB2 ASP A 86 -4.863 -12.091 1.078 1.00 30.32 H new ATOM 0 HB3 ASP A 86 -5.670 -10.578 1.441 1.00 30.32 H new ATOM 1312 N GLY A 87 -4.660 -8.226 1.199 1.00 65.22 N ATOM 1313 CA GLY A 87 -4.905 -6.845 0.879 1.00 23.32 C ATOM 1314 C GLY A 87 -5.250 -6.023 2.095 1.00 3.42 C ATOM 1315 O GLY A 87 -6.399 -6.006 2.539 1.00 40.33 O ATOM 0 H GLY A 87 -5.273 -8.616 1.915 1.00 65.22 H new ATOM 0 HA2 GLY A 87 -4.021 -6.424 0.399 1.00 23.32 H new ATOM 0 HA3 GLY A 87 -5.720 -6.781 0.158 1.00 23.32 H new ATOM 1319 N PHE A 88 -4.254 -5.349 2.640 1.00 3.44 N ATOM 1320 CA PHE A 88 -4.458 -4.487 3.791 1.00 1.30 C ATOM 1321 C PHE A 88 -5.012 -3.141 3.348 1.00 74.04 C ATOM 1322 O PHE A 88 -4.947 -2.788 2.165 1.00 52.13 O ATOM 1323 CB PHE A 88 -3.147 -4.284 4.559 1.00 0.15 C ATOM 1324 CG PHE A 88 -2.622 -5.531 5.214 1.00 23.01 C ATOM 1325 CD1 PHE A 88 -3.074 -5.907 6.469 1.00 32.15 C ATOM 1326 CD2 PHE A 88 -1.675 -6.319 4.581 1.00 1.30 C ATOM 1327 CE1 PHE A 88 -2.588 -7.048 7.081 1.00 2.30 C ATOM 1328 CE2 PHE A 88 -1.186 -7.460 5.187 1.00 43.03 C ATOM 1329 CZ PHE A 88 -1.645 -7.826 6.439 1.00 20.43 C ATOM 0 H PHE A 88 -3.292 -5.382 2.303 1.00 3.44 H new ATOM 0 HA PHE A 88 -5.177 -4.969 4.454 1.00 1.30 H new ATOM 0 HB2 PHE A 88 -2.392 -3.901 3.873 1.00 0.15 H new ATOM 0 HB3 PHE A 88 -3.300 -3.522 5.323 1.00 0.15 H new ATOM 0 HD1 PHE A 88 -3.813 -5.303 6.974 1.00 32.15 H new ATOM 0 HD2 PHE A 88 -1.315 -6.038 3.602 1.00 1.30 H new ATOM 0 HE1 PHE A 88 -2.946 -7.330 8.060 1.00 2.30 H new ATOM 0 HE2 PHE A 88 -0.446 -8.065 4.684 1.00 43.03 H new ATOM 0 HZ PHE A 88 -1.266 -8.719 6.914 1.00 20.43 H new ATOM 1339 N ARG A 89 -5.562 -2.399 4.293 1.00 63.25 N ATOM 1340 CA ARG A 89 -6.077 -1.074 4.013 1.00 74.10 C ATOM 1341 C ARG A 89 -5.037 -0.018 4.338 1.00 1.34 C ATOM 1342 O ARG A 89 -4.855 0.357 5.496 1.00 53.22 O ATOM 1343 CB ARG A 89 -7.367 -0.810 4.798 1.00 22.55 C ATOM 1344 CG ARG A 89 -8.607 -1.354 4.118 1.00 41.10 C ATOM 1345 CD ARG A 89 -8.883 -0.613 2.822 1.00 60.24 C ATOM 1346 NE ARG A 89 -9.941 -1.241 2.040 1.00 72.12 N ATOM 1347 CZ ARG A 89 -10.374 -0.778 0.868 1.00 72.04 C ATOM 1348 NH1 ARG A 89 -9.908 0.369 0.391 1.00 62.51 N ATOM 1349 NH2 ARG A 89 -11.289 -1.452 0.189 1.00 21.33 N ATOM 0 H ARG A 89 -5.663 -2.695 5.264 1.00 63.25 H new ATOM 0 HA ARG A 89 -6.308 -1.020 2.949 1.00 74.10 H new ATOM 0 HB2 ARG A 89 -7.279 -1.257 5.788 1.00 22.55 H new ATOM 0 HB3 ARG A 89 -7.482 0.264 4.942 1.00 22.55 H new ATOM 0 HG2 ARG A 89 -8.478 -2.417 3.914 1.00 41.10 H new ATOM 0 HG3 ARG A 89 -9.464 -1.259 4.785 1.00 41.10 H new ATOM 0 HD2 ARG A 89 -9.163 0.416 3.047 1.00 60.24 H new ATOM 0 HD3 ARG A 89 -7.970 -0.573 2.228 1.00 60.24 H new ATOM 0 HE ARG A 89 -10.376 -2.085 2.412 1.00 72.12 H new ATOM 0 HH11 ARG A 89 -9.217 0.899 0.922 1.00 62.51 H new ATOM 0 HH12 ARG A 89 -10.241 0.721 -0.506 1.00 62.51 H new ATOM 0 HH21 ARG A 89 -11.662 -2.325 0.563 1.00 21.33 H new ATOM 0 HH22 ARG A 89 -11.621 -1.099 -0.708 1.00 21.33 H new ATOM 1363 N LEU A 90 -4.338 0.440 3.312 1.00 52.43 N ATOM 1364 CA LEU A 90 -3.389 1.526 3.471 1.00 72.31 C ATOM 1365 C LEU A 90 -4.130 2.846 3.360 1.00 24.43 C ATOM 1366 O LEU A 90 -4.225 3.442 2.285 1.00 11.13 O ATOM 1367 CB LEU A 90 -2.271 1.445 2.428 1.00 71.02 C ATOM 1368 CG LEU A 90 -1.353 0.228 2.560 1.00 42.44 C ATOM 1369 CD1 LEU A 90 -0.311 0.216 1.453 1.00 30.05 C ATOM 1370 CD2 LEU A 90 -0.679 0.216 3.924 1.00 13.02 C ATOM 0 H LEU A 90 -4.411 0.076 2.362 1.00 52.43 H new ATOM 0 HA LEU A 90 -2.921 1.448 4.452 1.00 72.31 H new ATOM 0 HB2 LEU A 90 -2.720 1.437 1.435 1.00 71.02 H new ATOM 0 HB3 LEU A 90 -1.665 2.348 2.496 1.00 71.02 H new ATOM 0 HG LEU A 90 -1.962 -0.671 2.465 1.00 42.44 H new ATOM 0 HD11 LEU A 90 0.331 -0.658 1.567 1.00 30.05 H new ATOM 0 HD12 LEU A 90 -0.810 0.177 0.484 1.00 30.05 H new ATOM 0 HD13 LEU A 90 0.294 1.121 1.513 1.00 30.05 H new ATOM 0 HD21 LEU A 90 -0.030 -0.656 4.001 1.00 13.02 H new ATOM 0 HD22 LEU A 90 -0.085 1.122 4.045 1.00 13.02 H new ATOM 0 HD23 LEU A 90 -1.438 0.173 4.705 1.00 13.02 H new ATOM 1382 N HIS A 91 -4.706 3.268 4.473 1.00 62.10 N ATOM 1383 CA HIS A 91 -5.508 4.473 4.489 1.00 70.45 C ATOM 1384 C HIS A 91 -4.627 5.679 4.751 1.00 15.14 C ATOM 1385 O HIS A 91 -4.234 5.944 5.887 1.00 12.41 O ATOM 1386 CB HIS A 91 -6.610 4.369 5.546 1.00 12.50 C ATOM 1387 CG HIS A 91 -7.641 5.453 5.454 1.00 43.32 C ATOM 1388 ND1 HIS A 91 -7.736 6.484 6.364 1.00 14.12 N ATOM 1389 CD2 HIS A 91 -8.636 5.654 4.558 1.00 3.14 C ATOM 1390 CE1 HIS A 91 -8.743 7.270 6.032 1.00 72.51 C ATOM 1391 NE2 HIS A 91 -9.304 6.786 4.942 1.00 3.11 N ATOM 0 H HIS A 91 -4.632 2.794 5.373 1.00 62.10 H new ATOM 0 HA HIS A 91 -5.982 4.593 3.515 1.00 70.45 H new ATOM 0 HB2 HIS A 91 -7.103 3.402 5.449 1.00 12.50 H new ATOM 0 HB3 HIS A 91 -6.155 4.397 6.536 1.00 12.50 H new ATOM 0 HD2 HIS A 91 -8.861 5.037 3.701 1.00 3.14 H new ATOM 0 HE1 HIS A 91 -9.054 8.158 6.563 1.00 72.51 H new ATOM 0 HE2 HIS A 91 -10.108 7.190 4.461 1.00 3.11 H new ATOM 1400 N ILE A 92 -4.307 6.387 3.683 1.00 4.53 N ATOM 1401 CA ILE A 92 -3.461 7.561 3.760 1.00 74.41 C ATOM 1402 C ILE A 92 -4.189 8.690 4.478 1.00 74.25 C ATOM 1403 O ILE A 92 -5.218 9.180 4.006 1.00 53.11 O ATOM 1404 CB ILE A 92 -3.032 8.027 2.352 1.00 51.43 C ATOM 1405 CG1 ILE A 92 -2.264 6.906 1.643 1.00 43.50 C ATOM 1406 CG2 ILE A 92 -2.188 9.290 2.439 1.00 75.03 C ATOM 1407 CD1 ILE A 92 -1.861 7.243 0.222 1.00 64.24 C ATOM 0 H ILE A 92 -4.626 6.164 2.740 1.00 4.53 H new ATOM 0 HA ILE A 92 -2.567 7.295 4.323 1.00 74.41 H new ATOM 0 HB ILE A 92 -3.924 8.260 1.771 1.00 51.43 H new ATOM 0 HG12 ILE A 92 -1.368 6.672 2.219 1.00 43.50 H new ATOM 0 HG13 ILE A 92 -2.880 6.007 1.632 1.00 43.50 H new ATOM 0 HG21 ILE A 92 -1.896 9.602 1.436 1.00 75.03 H new ATOM 0 HG22 ILE A 92 -2.768 10.083 2.911 1.00 75.03 H new ATOM 0 HG23 ILE A 92 -1.295 9.091 3.032 1.00 75.03 H new ATOM 0 HD11 ILE A 92 -1.322 6.401 -0.213 1.00 64.24 H new ATOM 0 HD12 ILE A 92 -2.753 7.448 -0.370 1.00 64.24 H new ATOM 0 HD13 ILE A 92 -1.218 8.123 0.225 1.00 64.24 H new ATOM 1419 N ILE A 93 -3.666 9.076 5.633 1.00 62.11 N ATOM 1420 CA ILE A 93 -4.251 10.148 6.409 1.00 72.21 C ATOM 1421 C ILE A 93 -3.763 11.485 5.876 1.00 55.23 C ATOM 1422 O ILE A 93 -2.618 11.886 6.119 1.00 41.54 O ATOM 1423 CB ILE A 93 -3.902 10.031 7.909 1.00 30.44 C ATOM 1424 CG1 ILE A 93 -4.302 8.650 8.450 1.00 33.35 C ATOM 1425 CG2 ILE A 93 -4.591 11.140 8.693 1.00 43.20 C ATOM 1426 CD1 ILE A 93 -5.788 8.365 8.367 1.00 62.03 C ATOM 0 H ILE A 93 -2.835 8.658 6.050 1.00 62.11 H new ATOM 0 HA ILE A 93 -5.334 10.076 6.313 1.00 72.21 H new ATOM 0 HB ILE A 93 -2.824 10.140 8.029 1.00 30.44 H new ATOM 0 HG12 ILE A 93 -3.763 7.883 7.894 1.00 33.35 H new ATOM 0 HG13 ILE A 93 -3.985 8.572 9.490 1.00 33.35 H new ATOM 0 HG21 ILE A 93 -4.339 11.049 9.750 1.00 43.20 H new ATOM 0 HG22 ILE A 93 -4.257 12.109 8.322 1.00 43.20 H new ATOM 0 HG23 ILE A 93 -5.671 11.056 8.569 1.00 43.20 H new ATOM 0 HD11 ILE A 93 -5.991 7.372 8.768 1.00 62.03 H new ATOM 0 HD12 ILE A 93 -6.334 9.109 8.947 1.00 62.03 H new ATOM 0 HD13 ILE A 93 -6.109 8.409 7.326 1.00 62.03 H new ATOM 1438 N ASP A 94 -4.619 12.154 5.123 1.00 61.22 N ATOM 1439 CA ASP A 94 -4.287 13.446 4.552 1.00 40.25 C ATOM 1440 C ASP A 94 -4.217 14.506 5.641 1.00 74.40 C ATOM 1441 O ASP A 94 -5.213 15.149 5.970 1.00 10.10 O ATOM 1442 CB ASP A 94 -5.306 13.854 3.484 1.00 55.15 C ATOM 1443 CG ASP A 94 -5.290 12.936 2.280 1.00 62.32 C ATOM 1444 OD1 ASP A 94 -4.485 13.169 1.356 1.00 12.11 O ATOM 1445 OD2 ASP A 94 -6.093 11.980 2.240 1.00 32.50 O ATOM 0 H ASP A 94 -5.555 11.820 4.892 1.00 61.22 H new ATOM 0 HA ASP A 94 -3.309 13.362 4.077 1.00 40.25 H new ATOM 0 HB2 ASP A 94 -6.304 13.855 3.922 1.00 55.15 H new ATOM 0 HB3 ASP A 94 -5.099 14.874 3.161 1.00 55.15 H new ATOM 1450 N LEU A 95 -3.036 14.651 6.222 1.00 62.25 N ATOM 1451 CA LEU A 95 -2.805 15.642 7.264 1.00 3.03 C ATOM 1452 C LEU A 95 -2.496 16.997 6.634 1.00 73.43 C ATOM 1453 O LEU A 95 -2.058 17.928 7.302 1.00 12.40 O ATOM 1454 CB LEU A 95 -1.651 15.189 8.166 1.00 50.43 C ATOM 1455 CG LEU A 95 -1.942 15.189 9.673 1.00 25.11 C ATOM 1456 CD1 LEU A 95 -2.149 16.605 10.192 1.00 51.42 C ATOM 1457 CD2 LEU A 95 -3.157 14.325 9.980 1.00 33.30 C ATOM 0 H LEU A 95 -2.216 14.091 5.988 1.00 62.25 H new ATOM 0 HA LEU A 95 -3.704 15.741 7.873 1.00 3.03 H new ATOM 0 HB2 LEU A 95 -1.359 14.181 7.871 1.00 50.43 H new ATOM 0 HB3 LEU A 95 -0.794 15.836 7.981 1.00 50.43 H new ATOM 0 HG LEU A 95 -1.076 14.767 10.184 1.00 25.11 H new ATOM 0 HD11 LEU A 95 -2.353 16.574 11.262 1.00 51.42 H new ATOM 0 HD12 LEU A 95 -1.250 17.194 10.011 1.00 51.42 H new ATOM 0 HD13 LEU A 95 -2.992 17.062 9.675 1.00 51.42 H new ATOM 0 HD21 LEU A 95 -3.350 14.336 11.053 1.00 33.30 H new ATOM 0 HD22 LEU A 95 -4.026 14.718 9.451 1.00 33.30 H new ATOM 0 HD23 LEU A 95 -2.967 13.302 9.656 1.00 33.30 H new ATOM 1469 N ASP A 96 -2.743 17.088 5.335 1.00 0.41 N ATOM 1470 CA ASP A 96 -2.513 18.310 4.586 1.00 50.22 C ATOM 1471 C ASP A 96 -3.845 18.876 4.100 1.00 5.41 C ATOM 1472 O ASP A 96 -4.369 18.461 3.065 1.00 31.15 O ATOM 1473 CB ASP A 96 -1.583 18.023 3.404 1.00 70.22 C ATOM 1474 CG ASP A 96 -1.255 19.263 2.600 1.00 52.30 C ATOM 1475 OD1 ASP A 96 -0.452 20.089 3.081 1.00 0.22 O ATOM 1476 OD2 ASP A 96 -1.781 19.406 1.478 1.00 40.31 O ATOM 0 H ASP A 96 -3.107 16.318 4.774 1.00 0.41 H new ATOM 0 HA ASP A 96 -2.038 19.049 5.231 1.00 50.22 H new ATOM 0 HB2 ASP A 96 -0.658 17.581 3.774 1.00 70.22 H new ATOM 0 HB3 ASP A 96 -2.050 17.285 2.751 1.00 70.22 H new ATOM 1481 N PRO A 97 -4.441 19.791 4.876 1.00 70.44 N ATOM 1482 CA PRO A 97 -5.728 20.395 4.553 1.00 23.24 C ATOM 1483 C PRO A 97 -5.587 21.530 3.546 1.00 33.12 C ATOM 1484 O PRO A 97 -5.280 22.664 3.962 1.00 39.63 O ATOM 1485 CB PRO A 97 -6.235 20.927 5.907 1.00 31.34 C ATOM 1486 CG PRO A 97 -5.174 20.598 6.914 1.00 35.01 C ATOM 1487 CD PRO A 97 -3.920 20.310 6.139 1.00 35.31 C ATOM 1488 OXT PRO A 97 -5.785 21.285 2.339 1.00 39.63 O ATOM 0 HA PRO A 97 -6.410 19.682 4.089 1.00 23.24 H new ATOM 0 HB2 PRO A 97 -6.408 22.002 5.862 1.00 31.34 H new ATOM 0 HB3 PRO A 97 -7.184 20.463 6.176 1.00 31.34 H new ATOM 0 HG2 PRO A 97 -5.022 21.430 7.602 1.00 35.01 H new ATOM 0 HG3 PRO A 97 -5.464 19.736 7.515 1.00 35.01 H new ATOM 0 HD2 PRO A 97 -3.319 21.207 5.992 1.00 35.31 H new ATOM 0 HD3 PRO A 97 -3.287 19.582 6.647 1.00 35.31 H new TER 1496 PRO A 97