USER MOD reduce.3.24.130724 H: found=0, std=0, add=1138, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 1135 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 27 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 30 MET CE :methyl 171:sc= 0 (180deg=-0.117) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 158:sc= -0.0724 (180deg=-0.521) USER MOD Single : A 2 ASN : amide:sc= -2.6! C(o=-2.6!,f=-4.7!) USER MOD Single : A 9 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 THR OG1 : rot -100:sc= 1.21 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 GLN : amide:sc= -0.223 K(o=-0.22,f=-1.5) USER MOD Single : A 31 MET CE :methyl -177:sc= -2.41 (180deg=-2.56) USER MOD Single : A 32 ASN : amide:sc=-0.000483 X(o=-0.00048,f=0) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 MET CE :methyl 148:sc= -0.173 (180deg=-1.12) USER MOD Single : A 43 MET CE :methyl 169:sc= 0 (180deg=-0.113) USER MOD Single : A 44 LYS NZ :NH3+ 168:sc= -1.26! (180deg=-1.34!) USER MOD Single : A 45 LYS NZ :NH3+ 161:sc= -2.12 (180deg=-2.87!) USER MOD Single : A 46 SER OG : rot 180:sc= -0.084 USER MOD Single : A 47 LYS NZ :NH3+ 152:sc= -0.0576 (180deg=-0.603) USER MOD Single : A 51 LYS NZ :NH3+ -136:sc= 0.271 (180deg=0) USER MOD Single : A 52 THR OG1 : rot 180:sc= 0.402 USER MOD Single : A 53 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 54 LYS NZ :NH3+ 157:sc= -0.191 (180deg=-0.878) USER MOD Single : A 55 GLN : amide:sc= -0.307 X(o=-0.31,f=-0.29) USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 66 ASN : amide:sc= 0 K(o=0,f=-0.93) USER MOD Single : A 72 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 73 LYS NZ :NH3+ -171:sc= -0.0477 (180deg=-0.124) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 THR OG1 : rot 149:sc= 0.0296 USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 THR OG1 : rot 180:sc= -1.29 USER MOD Single : A 92 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 94 GLN : amide:sc= -2.88 X(o=-2.9,f=-2.9) USER MOD Single : A 100 SER OG : rot -144:sc= 1.28 USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 107 CYS SG : rot 77:sc= -0.777 USER MOD Single : A 110 HIS : no HD1:sc= -0.0668 K(o=-0.067,f=-0.61) USER MOD Single : A 119 CYS SG : rot 137:sc= 0.341 USER MOD Single : A 123 THR OG1 : rot -37:sc= 0.145 USER MOD Single : A 125 TYR OH : rot 15:sc= -0.0251 USER MOD Single : A 126 TYR OH : rot 180:sc= -1.34 USER MOD Single : A 129 SER OG : rot 180:sc= 0 USER MOD Single : A 130 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -0.963 -2.937 -3.162 1.00 55.40 N ATOM 2 CA MET A 1 -0.390 -3.297 -4.454 1.00 32.14 C ATOM 3 C MET A 1 0.828 -2.435 -4.767 1.00 44.13 C ATOM 4 O MET A 1 1.011 -1.991 -5.900 1.00 10.11 O ATOM 5 CB MET A 1 -1.436 -3.145 -5.560 1.00 42.31 C ATOM 6 CG MET A 1 -1.891 -1.710 -5.772 1.00 72.14 C ATOM 7 SD MET A 1 -3.481 -1.604 -6.616 1.00 14.35 S ATOM 8 CE MET A 1 -3.036 -2.179 -8.252 1.00 40.12 C ATOM 0 H1 MET A 1 -1.957 -3.240 -3.126 1.00 55.40 H new ATOM 0 H2 MET A 1 -0.430 -3.407 -2.403 1.00 55.40 H new ATOM 0 H3 MET A 1 -0.911 -1.906 -3.034 1.00 55.40 H new ATOM 0 HA MET A 1 -0.073 -4.339 -4.406 1.00 32.14 H new ATOM 0 HB2 MET A 1 -1.024 -3.529 -6.493 1.00 42.31 H new ATOM 0 HB3 MET A 1 -2.302 -3.760 -5.317 1.00 42.31 H new ATOM 0 HG2 MET A 1 -1.962 -1.209 -4.807 1.00 72.14 H new ATOM 0 HG3 MET A 1 -1.139 -1.176 -6.353 1.00 72.14 H new ATOM 0 HE1 MET A 1 -3.918 -2.171 -8.893 1.00 40.12 H new ATOM 0 HE2 MET A 1 -2.275 -1.523 -8.674 1.00 40.12 H new ATOM 0 HE3 MET A 1 -2.644 -3.194 -8.187 1.00 40.12 H new ATOM 18 N ASN A 2 1.659 -2.202 -3.756 1.00 60.02 N ATOM 19 CA ASN A 2 2.860 -1.392 -3.925 1.00 0.13 C ATOM 20 C ASN A 2 4.105 -2.272 -3.989 1.00 11.41 C ATOM 21 O ASN A 2 4.039 -3.477 -3.750 1.00 35.44 O ATOM 22 CB ASN A 2 2.989 -0.389 -2.777 1.00 1.05 C ATOM 23 CG ASN A 2 2.953 -1.059 -1.417 1.00 32.24 C ATOM 24 OD1 ASN A 2 3.938 -1.654 -0.979 1.00 12.12 O ATOM 25 ND2 ASN A 2 1.813 -0.966 -0.742 1.00 1.25 N ATOM 0 H ASN A 2 1.523 -2.562 -2.812 1.00 60.02 H new ATOM 0 HA ASN A 2 2.772 -0.848 -4.866 1.00 0.13 H new ATOM 0 HB2 ASN A 2 3.923 0.162 -2.883 1.00 1.05 H new ATOM 0 HB3 ASN A 2 2.180 0.339 -2.842 1.00 1.05 H new ATOM 0 HD21 ASN A 2 1.729 -1.398 0.178 1.00 1.25 H new ATOM 0 HD22 ASN A 2 1.022 -0.463 -1.144 1.00 1.25 H new ATOM 32 N ASP A 3 5.239 -1.660 -4.313 1.00 13.33 N ATOM 33 CA ASP A 3 6.500 -2.386 -4.407 1.00 33.12 C ATOM 34 C ASP A 3 7.196 -2.444 -3.051 1.00 2.42 C ATOM 35 O ASP A 3 7.791 -1.462 -2.606 1.00 2.43 O ATOM 36 CB ASP A 3 7.417 -1.727 -5.438 1.00 1.43 C ATOM 37 CG ASP A 3 6.656 -1.205 -6.641 1.00 32.34 C ATOM 38 OD1 ASP A 3 5.714 -1.891 -7.090 1.00 71.52 O ATOM 39 OD2 ASP A 3 7.001 -0.111 -7.132 1.00 2.40 O ATOM 0 H ASP A 3 5.311 -0.663 -4.515 1.00 13.33 H new ATOM 0 HA ASP A 3 6.281 -3.405 -4.726 1.00 33.12 H new ATOM 0 HB2 ASP A 3 7.955 -0.904 -4.968 1.00 1.43 H new ATOM 0 HB3 ASP A 3 8.164 -2.449 -5.769 1.00 1.43 H new ATOM 44 N ILE A 4 7.117 -3.599 -2.399 1.00 52.21 N ATOM 45 CA ILE A 4 7.739 -3.784 -1.094 1.00 45.43 C ATOM 46 C ILE A 4 8.815 -4.864 -1.146 1.00 53.42 C ATOM 47 O ILE A 4 8.784 -5.744 -2.007 1.00 11.43 O ATOM 48 CB ILE A 4 6.700 -4.161 -0.023 1.00 33.23 C ATOM 49 CG1 ILE A 4 5.581 -5.002 -0.641 1.00 32.24 C ATOM 50 CG2 ILE A 4 6.131 -2.909 0.628 1.00 71.11 C ATOM 51 CD1 ILE A 4 6.067 -6.296 -1.256 1.00 53.33 C ATOM 0 H ILE A 4 6.628 -4.421 -2.753 1.00 52.21 H new ATOM 0 HA ILE A 4 8.196 -2.832 -0.825 1.00 45.43 H new ATOM 0 HB ILE A 4 7.193 -4.755 0.747 1.00 33.23 H new ATOM 0 HG12 ILE A 4 4.842 -5.229 0.127 1.00 32.24 H new ATOM 0 HG13 ILE A 4 5.075 -4.413 -1.406 1.00 32.24 H new ATOM 0 HG21 ILE A 4 5.398 -3.193 1.383 1.00 71.11 H new ATOM 0 HG22 ILE A 4 6.937 -2.345 1.098 1.00 71.11 H new ATOM 0 HG23 ILE A 4 5.650 -2.291 -0.130 1.00 71.11 H new ATOM 0 HD11 ILE A 4 5.221 -6.840 -1.675 1.00 53.33 H new ATOM 0 HD12 ILE A 4 6.784 -6.076 -2.047 1.00 53.33 H new ATOM 0 HD13 ILE A 4 6.547 -6.905 -0.490 1.00 53.33 H new ATOM 63 N ARG A 5 9.764 -4.791 -0.219 1.00 34.24 N ATOM 64 CA ARG A 5 10.849 -5.763 -0.158 1.00 74.21 C ATOM 65 C ARG A 5 10.305 -7.171 0.065 1.00 21.45 C ATOM 66 O ARG A 5 9.295 -7.357 0.745 1.00 0.20 O ATOM 67 CB ARG A 5 11.826 -5.399 0.961 1.00 44.14 C ATOM 68 CG ARG A 5 12.824 -4.321 0.570 1.00 11.43 C ATOM 69 CD ARG A 5 12.132 -2.994 0.299 1.00 3.32 C ATOM 70 NE ARG A 5 12.993 -1.855 0.608 1.00 13.22 N ATOM 71 CZ ARG A 5 12.727 -0.609 0.231 1.00 34.14 C ATOM 72 NH1 ARG A 5 11.630 -0.344 -0.464 1.00 53.54 N ATOM 73 NH2 ARG A 5 13.558 0.374 0.551 1.00 44.10 N ATOM 0 H ARG A 5 9.804 -4.069 0.500 1.00 34.24 H new ATOM 0 HA ARG A 5 11.376 -5.742 -1.112 1.00 74.21 H new ATOM 0 HB2 ARG A 5 11.261 -5.062 1.830 1.00 44.14 H new ATOM 0 HB3 ARG A 5 12.370 -6.294 1.263 1.00 44.14 H new ATOM 0 HG2 ARG A 5 13.556 -4.195 1.368 1.00 11.43 H new ATOM 0 HG3 ARG A 5 13.372 -4.635 -0.319 1.00 11.43 H new ATOM 0 HD2 ARG A 5 11.832 -2.949 -0.748 1.00 3.32 H new ATOM 0 HD3 ARG A 5 11.221 -2.932 0.894 1.00 3.32 H new ATOM 0 HE ARG A 5 13.845 -2.026 1.142 1.00 13.22 H new ATOM 0 HH11 ARG A 5 10.988 -1.097 -0.710 1.00 53.54 H new ATOM 0 HH12 ARG A 5 11.428 0.613 -0.752 1.00 53.54 H new ATOM 0 HH21 ARG A 5 14.402 0.174 1.087 1.00 44.10 H new ATOM 0 HH22 ARG A 5 13.353 1.330 0.261 1.00 44.10 H new ATOM 87 N ILE A 6 10.981 -8.159 -0.511 1.00 22.41 N ATOM 88 CA ILE A 6 10.566 -9.550 -0.374 1.00 43.10 C ATOM 89 C ILE A 6 11.290 -10.228 0.785 1.00 51.15 C ATOM 90 O ILE A 6 10.718 -11.065 1.483 1.00 63.42 O ATOM 91 CB ILE A 6 10.830 -10.346 -1.666 1.00 23.03 C ATOM 92 CG1 ILE A 6 10.394 -9.536 -2.888 1.00 74.01 C ATOM 93 CG2 ILE A 6 10.104 -11.682 -1.622 1.00 64.30 C ATOM 94 CD1 ILE A 6 11.483 -8.645 -3.443 1.00 73.23 C ATOM 0 H ILE A 6 11.818 -8.022 -1.077 1.00 22.41 H new ATOM 0 HA ILE A 6 9.494 -9.542 -0.175 1.00 43.10 H new ATOM 0 HB ILE A 6 11.900 -10.539 -1.745 1.00 23.03 H new ATOM 0 HG12 ILE A 6 10.063 -10.221 -3.669 1.00 74.01 H new ATOM 0 HG13 ILE A 6 9.535 -8.921 -2.619 1.00 74.01 H new ATOM 0 HG21 ILE A 6 10.300 -12.233 -2.542 1.00 64.30 H new ATOM 0 HG22 ILE A 6 10.459 -12.261 -0.769 1.00 64.30 H new ATOM 0 HG23 ILE A 6 9.032 -11.511 -1.523 1.00 64.30 H new ATOM 0 HD11 ILE A 6 11.103 -8.101 -4.308 1.00 73.23 H new ATOM 0 HD12 ILE A 6 11.798 -7.936 -2.678 1.00 73.23 H new ATOM 0 HD13 ILE A 6 12.334 -9.255 -3.744 1.00 73.23 H new ATOM 106 N VAL A 7 12.551 -9.859 0.985 1.00 42.14 N ATOM 107 CA VAL A 7 13.353 -10.429 2.061 1.00 50.14 C ATOM 108 C VAL A 7 14.419 -9.446 2.531 1.00 22.23 C ATOM 109 O VAL A 7 15.277 -9.008 1.764 1.00 30.04 O ATOM 110 CB VAL A 7 14.035 -11.737 1.620 1.00 64.45 C ATOM 111 CG1 VAL A 7 12.999 -12.824 1.375 1.00 44.12 C ATOM 112 CG2 VAL A 7 14.880 -11.504 0.376 1.00 73.53 C ATOM 0 H VAL A 7 13.039 -9.168 0.416 1.00 42.14 H new ATOM 0 HA VAL A 7 12.672 -10.643 2.885 1.00 50.14 H new ATOM 0 HB VAL A 7 14.694 -12.071 2.422 1.00 64.45 H new ATOM 0 HG11 VAL A 7 13.500 -13.741 1.064 1.00 44.12 H new ATOM 0 HG12 VAL A 7 12.441 -13.009 2.293 1.00 44.12 H new ATOM 0 HG13 VAL A 7 12.312 -12.502 0.592 1.00 44.12 H new ATOM 0 HG21 VAL A 7 15.355 -12.439 0.078 1.00 73.53 H new ATOM 0 HG22 VAL A 7 14.244 -11.146 -0.434 1.00 73.53 H new ATOM 0 HG23 VAL A 7 15.647 -10.760 0.591 1.00 73.53 H new ATOM 122 N PRO A 8 14.367 -9.090 3.824 1.00 71.55 N ATOM 123 CA PRO A 8 15.322 -8.156 4.427 1.00 52.03 C ATOM 124 C PRO A 8 16.720 -8.753 4.546 1.00 10.42 C ATOM 125 O PRO A 8 17.003 -9.810 3.984 1.00 50.13 O ATOM 126 CB PRO A 8 14.732 -7.893 5.815 1.00 42.25 C ATOM 127 CG PRO A 8 13.917 -9.103 6.115 1.00 11.14 C ATOM 128 CD PRO A 8 13.372 -9.574 4.795 1.00 13.45 C ATOM 0 HA PRO A 8 15.448 -7.256 3.825 1.00 52.03 H new ATOM 0 HB2 PRO A 8 15.516 -7.750 6.558 1.00 42.25 H new ATOM 0 HB3 PRO A 8 14.119 -6.992 5.821 1.00 42.25 H new ATOM 0 HG2 PRO A 8 14.525 -9.876 6.584 1.00 11.14 H new ATOM 0 HG3 PRO A 8 13.110 -8.868 6.809 1.00 11.14 H new ATOM 0 HD2 PRO A 8 13.275 -10.659 4.764 1.00 13.45 H new ATOM 0 HD3 PRO A 8 12.383 -9.160 4.598 1.00 13.45 H new ATOM 136 N GLN A 9 17.589 -8.068 5.282 1.00 25.15 N ATOM 137 CA GLN A 9 18.958 -8.532 5.475 1.00 45.31 C ATOM 138 C GLN A 9 19.092 -9.309 6.780 1.00 14.24 C ATOM 139 O GLN A 9 18.171 -9.329 7.598 1.00 24.04 O ATOM 140 CB GLN A 9 19.926 -7.347 5.472 1.00 53.20 C ATOM 141 CG GLN A 9 19.583 -6.279 6.498 1.00 12.12 C ATOM 142 CD GLN A 9 20.604 -5.159 6.539 1.00 22.42 C ATOM 143 OE1 GLN A 9 20.667 -4.328 5.633 1.00 5.23 O ATOM 144 NE2 GLN A 9 21.411 -5.132 7.593 1.00 20.24 N ATOM 0 H GLN A 9 17.370 -7.191 5.754 1.00 25.15 H new ATOM 0 HA GLN A 9 19.208 -9.199 4.650 1.00 45.31 H new ATOM 0 HB2 GLN A 9 20.935 -7.712 5.663 1.00 53.20 H new ATOM 0 HB3 GLN A 9 19.933 -6.897 4.479 1.00 53.20 H new ATOM 0 HG2 GLN A 9 18.602 -5.863 6.269 1.00 12.12 H new ATOM 0 HG3 GLN A 9 19.513 -6.738 7.484 1.00 12.12 H new ATOM 0 HE21 GLN A 9 21.323 -5.841 8.321 1.00 20.24 H new ATOM 0 HE22 GLN A 9 22.119 -4.402 7.675 1.00 20.24 H new ATOM 153 N ILE A 10 20.242 -9.947 6.968 1.00 33.25 N ATOM 154 CA ILE A 10 20.495 -10.725 8.175 1.00 14.10 C ATOM 155 C ILE A 10 21.640 -10.127 8.984 1.00 25.03 C ATOM 156 O ILE A 10 22.762 -9.996 8.492 1.00 32.51 O ATOM 157 CB ILE A 10 20.828 -12.191 7.840 1.00 13.13 C ATOM 158 CG1 ILE A 10 21.869 -12.257 6.721 1.00 75.52 C ATOM 159 CG2 ILE A 10 19.566 -12.943 7.444 1.00 63.34 C ATOM 160 CD1 ILE A 10 22.270 -13.669 6.352 1.00 52.50 C ATOM 0 H ILE A 10 21.013 -9.941 6.300 1.00 33.25 H new ATOM 0 HA ILE A 10 19.581 -10.695 8.768 1.00 14.10 H new ATOM 0 HB ILE A 10 21.246 -12.666 8.727 1.00 13.13 H new ATOM 0 HG12 ILE A 10 21.473 -11.758 5.837 1.00 75.52 H new ATOM 0 HG13 ILE A 10 22.757 -11.704 7.028 1.00 75.52 H new ATOM 0 HG21 ILE A 10 19.817 -13.978 7.210 1.00 63.34 H new ATOM 0 HG22 ILE A 10 18.855 -12.920 8.270 1.00 63.34 H new ATOM 0 HG23 ILE A 10 19.121 -12.471 6.568 1.00 63.34 H new ATOM 0 HD11 ILE A 10 23.010 -13.640 5.553 1.00 52.50 H new ATOM 0 HD12 ILE A 10 22.696 -14.166 7.224 1.00 52.50 H new ATOM 0 HD13 ILE A 10 21.392 -14.220 6.014 1.00 52.50 H new ATOM 172 N THR A 11 21.352 -9.766 10.231 1.00 61.11 N ATOM 173 CA THR A 11 22.358 -9.183 11.110 1.00 52.33 C ATOM 174 C THR A 11 22.965 -10.238 12.028 1.00 55.24 C ATOM 175 O THR A 11 22.773 -11.437 11.823 1.00 15.53 O ATOM 176 CB THR A 11 21.764 -8.051 11.969 1.00 1.24 C ATOM 177 OG1 THR A 11 20.477 -7.677 11.466 1.00 50.33 O ATOM 178 CG2 THR A 11 22.683 -6.839 11.978 1.00 41.44 C ATOM 0 H THR A 11 20.430 -9.867 10.655 1.00 61.11 H new ATOM 0 HA THR A 11 23.138 -8.772 10.469 1.00 52.33 H new ATOM 0 HB THR A 11 21.661 -8.417 12.991 1.00 1.24 H new ATOM 0 HG1 THR A 11 20.106 -6.958 12.019 1.00 50.33 H new ATOM 0 HG21 THR A 11 22.242 -6.053 12.591 1.00 41.44 H new ATOM 0 HG22 THR A 11 23.652 -7.120 12.390 1.00 41.44 H new ATOM 0 HG23 THR A 11 22.814 -6.474 10.959 1.00 41.44 H new ATOM 186 N ASP A 12 23.697 -9.785 13.039 1.00 15.43 N ATOM 187 CA ASP A 12 24.330 -10.690 13.990 1.00 23.34 C ATOM 188 C ASP A 12 23.289 -11.558 14.691 1.00 64.12 C ATOM 189 O ASP A 12 23.613 -12.611 15.239 1.00 63.11 O ATOM 190 CB ASP A 12 25.132 -9.899 15.025 1.00 52.51 C ATOM 191 CG ASP A 12 26.330 -10.669 15.542 1.00 22.43 C ATOM 192 OD1 ASP A 12 27.109 -11.182 14.712 1.00 60.01 O ATOM 193 OD2 ASP A 12 26.489 -10.761 16.778 1.00 50.21 O ATOM 0 H ASP A 12 23.867 -8.796 13.221 1.00 15.43 H new ATOM 0 HA ASP A 12 25.007 -11.341 13.437 1.00 23.34 H new ATOM 0 HB2 ASP A 12 25.470 -8.963 14.580 1.00 52.51 H new ATOM 0 HB3 ASP A 12 24.483 -9.638 15.861 1.00 52.51 H new ATOM 198 N GLU A 13 22.039 -11.107 14.669 1.00 71.41 N ATOM 199 CA GLU A 13 20.951 -11.843 15.304 1.00 44.32 C ATOM 200 C GLU A 13 20.430 -12.944 14.385 1.00 23.22 C ATOM 201 O GLU A 13 19.940 -13.973 14.850 1.00 54.44 O ATOM 202 CB GLU A 13 19.812 -10.892 15.675 1.00 12.42 C ATOM 203 CG GLU A 13 20.283 -9.603 16.328 1.00 52.35 C ATOM 204 CD GLU A 13 19.142 -8.798 16.920 1.00 42.12 C ATOM 205 OE1 GLU A 13 18.278 -8.336 16.145 1.00 2.23 O ATOM 206 OE2 GLU A 13 19.114 -8.630 18.157 1.00 55.12 O ATOM 0 H GLU A 13 21.754 -10.237 14.219 1.00 71.41 H new ATOM 0 HA GLU A 13 21.340 -12.305 16.212 1.00 44.32 H new ATOM 0 HB2 GLU A 13 19.246 -10.648 14.776 1.00 12.42 H new ATOM 0 HB3 GLU A 13 19.129 -11.404 16.353 1.00 12.42 H new ATOM 0 HG2 GLU A 13 21.002 -9.839 17.113 1.00 52.35 H new ATOM 0 HG3 GLU A 13 20.806 -8.996 15.589 1.00 52.35 H new ATOM 213 N GLU A 14 20.541 -12.719 13.080 1.00 73.54 N ATOM 214 CA GLU A 14 20.079 -13.692 12.096 1.00 23.11 C ATOM 215 C GLU A 14 21.211 -14.629 11.685 1.00 25.21 C ATOM 216 O GLU A 14 20.999 -15.824 11.477 1.00 11.12 O ATOM 217 CB GLU A 14 19.520 -12.978 10.863 1.00 25.44 C ATOM 218 CG GLU A 14 18.342 -12.070 11.169 1.00 54.45 C ATOM 219 CD GLU A 14 17.170 -12.817 11.775 1.00 61.52 C ATOM 220 OE1 GLU A 14 16.411 -13.451 11.012 1.00 24.42 O ATOM 221 OE2 GLU A 14 17.013 -12.769 13.013 1.00 54.31 O ATOM 0 H GLU A 14 20.946 -11.873 12.679 1.00 73.54 H new ATOM 0 HA GLU A 14 19.287 -14.285 12.553 1.00 23.11 H new ATOM 0 HB2 GLU A 14 20.313 -12.388 10.404 1.00 25.44 H new ATOM 0 HB3 GLU A 14 19.213 -13.724 10.130 1.00 25.44 H new ATOM 0 HG2 GLU A 14 18.662 -11.286 11.855 1.00 54.45 H new ATOM 0 HG3 GLU A 14 18.019 -11.579 10.251 1.00 54.45 H new ATOM 228 N PHE A 15 22.415 -14.078 11.569 1.00 22.14 N ATOM 229 CA PHE A 15 23.581 -14.863 11.182 1.00 64.12 C ATOM 230 C PHE A 15 23.965 -15.847 12.283 1.00 30.20 C ATOM 231 O PHE A 15 24.400 -16.966 12.008 1.00 12.14 O ATOM 232 CB PHE A 15 24.763 -13.942 10.872 1.00 53.44 C ATOM 233 CG PHE A 15 26.094 -14.634 10.928 1.00 62.34 C ATOM 234 CD1 PHE A 15 26.623 -15.240 9.799 1.00 31.12 C ATOM 235 CD2 PHE A 15 26.817 -14.680 12.109 1.00 71.21 C ATOM 236 CE1 PHE A 15 27.848 -15.878 9.847 1.00 21.12 C ATOM 237 CE2 PHE A 15 28.043 -15.316 12.163 1.00 73.42 C ATOM 238 CZ PHE A 15 28.558 -15.917 11.031 1.00 64.10 C ATOM 0 H PHE A 15 22.608 -13.091 11.738 1.00 22.14 H new ATOM 0 HA PHE A 15 23.325 -15.429 10.286 1.00 64.12 H new ATOM 0 HB2 PHE A 15 24.628 -13.512 9.879 1.00 53.44 H new ATOM 0 HB3 PHE A 15 24.763 -13.114 11.581 1.00 53.44 H new ATOM 0 HD1 PHE A 15 26.071 -15.213 8.871 1.00 31.12 H new ATOM 0 HD2 PHE A 15 26.418 -14.214 12.998 1.00 71.21 H new ATOM 0 HE1 PHE A 15 28.249 -16.345 8.960 1.00 21.12 H new ATOM 0 HE2 PHE A 15 28.598 -15.343 13.089 1.00 73.42 H new ATOM 0 HZ PHE A 15 29.515 -16.417 11.072 1.00 64.10 H new ATOM 248 N LYS A 16 23.801 -15.422 13.531 1.00 23.22 N ATOM 249 CA LYS A 16 24.129 -16.264 14.676 1.00 70.12 C ATOM 250 C LYS A 16 23.186 -17.460 14.759 1.00 62.20 C ATOM 251 O LYS A 16 23.429 -18.405 15.511 1.00 62.03 O ATOM 252 CB LYS A 16 24.055 -15.452 15.970 1.00 14.55 C ATOM 253 CG LYS A 16 22.639 -15.079 16.374 1.00 14.31 C ATOM 254 CD LYS A 16 22.097 -16.018 17.438 1.00 15.15 C ATOM 255 CE LYS A 16 22.477 -15.555 18.836 1.00 23.14 C ATOM 256 NZ LYS A 16 21.461 -14.630 19.411 1.00 62.25 N ATOM 0 H LYS A 16 23.443 -14.499 13.776 1.00 23.22 H new ATOM 0 HA LYS A 16 25.146 -16.634 14.544 1.00 70.12 H new ATOM 0 HB2 LYS A 16 24.515 -16.025 16.775 1.00 14.55 H new ATOM 0 HB3 LYS A 16 24.642 -14.541 15.852 1.00 14.55 H new ATOM 0 HG2 LYS A 16 22.624 -14.056 16.749 1.00 14.31 H new ATOM 0 HG3 LYS A 16 21.991 -15.107 15.498 1.00 14.31 H new ATOM 0 HD2 LYS A 16 21.012 -16.076 17.355 1.00 15.15 H new ATOM 0 HD3 LYS A 16 22.483 -17.023 17.269 1.00 15.15 H new ATOM 0 HE2 LYS A 16 22.589 -16.422 19.487 1.00 23.14 H new ATOM 0 HE3 LYS A 16 23.445 -15.055 18.802 1.00 23.14 H new ATOM 0 HZ1 LYS A 16 21.757 -14.338 20.364 1.00 62.25 H new ATOM 0 HZ2 LYS A 16 21.372 -13.791 18.803 1.00 62.25 H new ATOM 0 HZ3 LYS A 16 20.543 -15.115 19.468 1.00 62.25 H new ATOM 270 N THR A 17 22.109 -17.415 13.981 1.00 41.41 N ATOM 271 CA THR A 17 21.130 -18.494 13.966 1.00 23.25 C ATOM 272 C THR A 17 21.634 -19.682 13.154 1.00 33.04 C ATOM 273 O THR A 17 21.035 -20.758 13.174 1.00 53.31 O ATOM 274 CB THR A 17 19.783 -18.024 13.386 1.00 44.33 C ATOM 275 OG1 THR A 17 19.838 -18.029 11.955 1.00 63.02 O ATOM 276 CG2 THR A 17 19.439 -16.627 13.880 1.00 45.31 C ATOM 0 H THR A 17 21.893 -16.641 13.352 1.00 41.41 H new ATOM 0 HA THR A 17 20.983 -18.801 15.001 1.00 23.25 H new ATOM 0 HB THR A 17 19.008 -18.712 13.722 1.00 44.33 H new ATOM 0 HG1 THR A 17 19.999 -17.118 11.631 1.00 63.02 H new ATOM 0 HG21 THR A 17 18.484 -16.317 13.457 1.00 45.31 H new ATOM 0 HG22 THR A 17 19.370 -16.633 14.968 1.00 45.31 H new ATOM 0 HG23 THR A 17 20.217 -15.929 13.570 1.00 45.31 H new ATOM 284 N ILE A 18 22.737 -19.481 12.442 1.00 2.31 N ATOM 285 CA ILE A 18 23.322 -20.537 11.625 1.00 55.42 C ATOM 286 C ILE A 18 24.621 -21.050 12.237 1.00 74.14 C ATOM 287 O ILE A 18 25.531 -20.285 12.555 1.00 51.20 O ATOM 288 CB ILE A 18 23.600 -20.049 10.191 1.00 61.54 C ATOM 289 CG1 ILE A 18 22.304 -19.581 9.527 1.00 15.41 C ATOM 290 CG2 ILE A 18 24.250 -21.155 9.373 1.00 63.25 C ATOM 291 CD1 ILE A 18 22.290 -18.103 9.204 1.00 44.05 C ATOM 0 H ILE A 18 23.244 -18.596 12.414 1.00 2.31 H new ATOM 0 HA ILE A 18 22.595 -21.349 11.590 1.00 55.42 H new ATOM 0 HB ILE A 18 24.287 -19.204 10.237 1.00 61.54 H new ATOM 0 HG12 ILE A 18 22.151 -20.147 8.608 1.00 15.41 H new ATOM 0 HG13 ILE A 18 21.465 -19.809 10.185 1.00 15.41 H new ATOM 0 HG21 ILE A 18 24.441 -20.796 8.362 1.00 63.25 H new ATOM 0 HG22 ILE A 18 25.192 -21.446 9.838 1.00 63.25 H new ATOM 0 HG23 ILE A 18 23.584 -22.017 9.332 1.00 63.25 H new ATOM 0 HD11 ILE A 18 21.341 -17.842 8.735 1.00 44.05 H new ATOM 0 HD12 ILE A 18 22.411 -17.529 10.122 1.00 44.05 H new ATOM 0 HD13 ILE A 18 23.108 -17.872 8.521 1.00 44.05 H new ATOM 303 N PRO A 19 24.711 -22.378 12.404 1.00 4.20 N ATOM 304 CA PRO A 19 25.896 -23.024 12.976 1.00 21.24 C ATOM 305 C PRO A 19 27.099 -22.961 12.042 1.00 64.10 C ATOM 306 O PRO A 19 26.948 -22.893 10.822 1.00 65.21 O ATOM 307 CB PRO A 19 25.448 -24.474 13.174 1.00 21.52 C ATOM 308 CG PRO A 19 24.364 -24.676 12.173 1.00 54.21 C ATOM 309 CD PRO A 19 23.665 -23.350 12.047 1.00 71.31 C ATOM 0 HA PRO A 19 26.224 -22.535 13.894 1.00 21.24 H new ATOM 0 HB2 PRO A 19 26.272 -25.169 13.011 1.00 21.52 H new ATOM 0 HB3 PRO A 19 25.086 -24.641 14.188 1.00 21.52 H new ATOM 0 HG2 PRO A 19 24.773 -24.995 11.214 1.00 54.21 H new ATOM 0 HG3 PRO A 19 23.672 -25.453 12.498 1.00 54.21 H new ATOM 0 HD2 PRO A 19 23.293 -23.186 11.036 1.00 71.31 H new ATOM 0 HD3 PRO A 19 22.808 -23.282 12.717 1.00 71.31 H new ATOM 317 N LYS A 20 28.295 -22.984 12.622 1.00 73.43 N ATOM 318 CA LYS A 20 29.525 -22.932 11.841 1.00 3.33 C ATOM 319 C LYS A 20 29.604 -24.105 10.870 1.00 61.12 C ATOM 320 O LYS A 20 30.333 -24.055 9.879 1.00 24.21 O ATOM 321 CB LYS A 20 30.742 -22.941 12.769 1.00 65.22 C ATOM 322 CG LYS A 20 30.820 -24.170 13.658 1.00 21.11 C ATOM 323 CD LYS A 20 30.483 -23.836 15.102 1.00 63.14 C ATOM 324 CE LYS A 20 31.176 -24.784 16.069 1.00 11.41 C ATOM 325 NZ LYS A 20 30.381 -24.985 17.312 1.00 23.24 N ATOM 0 H LYS A 20 28.438 -23.038 13.630 1.00 73.43 H new ATOM 0 HA LYS A 20 29.521 -22.007 11.265 1.00 3.33 H new ATOM 0 HB2 LYS A 20 31.648 -22.881 12.166 1.00 65.22 H new ATOM 0 HB3 LYS A 20 30.717 -22.050 13.396 1.00 65.22 H new ATOM 0 HG2 LYS A 20 30.132 -24.931 13.290 1.00 21.11 H new ATOM 0 HG3 LYS A 20 31.823 -24.595 13.606 1.00 21.11 H new ATOM 0 HD2 LYS A 20 30.782 -22.810 15.319 1.00 63.14 H new ATOM 0 HD3 LYS A 20 29.404 -23.891 15.247 1.00 63.14 H new ATOM 0 HE2 LYS A 20 31.338 -25.746 15.582 1.00 11.41 H new ATOM 0 HE3 LYS A 20 32.158 -24.387 16.326 1.00 11.41 H new ATOM 0 HZ1 LYS A 20 30.886 -25.637 17.946 1.00 23.24 H new ATOM 0 HZ2 LYS A 20 30.248 -24.071 17.790 1.00 23.24 H new ATOM 0 HZ3 LYS A 20 29.453 -25.387 17.069 1.00 23.24 H new ATOM 339 N TYR A 21 28.848 -25.158 11.159 1.00 24.42 N ATOM 340 CA TYR A 21 28.834 -26.345 10.311 1.00 12.44 C ATOM 341 C TYR A 21 28.289 -26.016 8.924 1.00 24.35 C ATOM 342 O TYR A 21 28.597 -26.699 7.948 1.00 21.31 O ATOM 343 CB TYR A 21 27.990 -27.447 10.955 1.00 44.43 C ATOM 344 CG TYR A 21 28.667 -28.120 12.127 1.00 31.32 C ATOM 345 CD1 TYR A 21 28.816 -27.461 13.341 1.00 31.42 C ATOM 346 CD2 TYR A 21 29.156 -29.416 12.021 1.00 62.50 C ATOM 347 CE1 TYR A 21 29.434 -28.073 14.415 1.00 40.13 C ATOM 348 CE2 TYR A 21 29.774 -30.036 13.090 1.00 64.43 C ATOM 349 CZ TYR A 21 29.911 -29.360 14.284 1.00 23.41 C ATOM 350 OH TYR A 21 30.526 -29.974 15.351 1.00 4.45 O ATOM 0 H TYR A 21 28.237 -25.214 11.974 1.00 24.42 H new ATOM 0 HA TYR A 21 29.860 -26.698 10.205 1.00 12.44 H new ATOM 0 HB2 TYR A 21 27.044 -27.021 11.288 1.00 44.43 H new ATOM 0 HB3 TYR A 21 27.753 -28.199 10.202 1.00 44.43 H new ATOM 0 HD1 TYR A 21 28.442 -26.453 13.447 1.00 31.42 H new ATOM 0 HD2 TYR A 21 29.051 -29.948 11.087 1.00 62.50 H new ATOM 0 HE1 TYR A 21 29.543 -27.546 15.352 1.00 40.13 H new ATOM 0 HE2 TYR A 21 30.148 -31.044 12.991 1.00 64.43 H new ATOM 0 HH TYR A 21 30.803 -30.878 15.093 1.00 4.45 H new ATOM 360 N GLN A 22 27.479 -24.965 8.847 1.00 25.35 N ATOM 361 CA GLN A 22 26.892 -24.546 7.581 1.00 52.43 C ATOM 362 C GLN A 22 27.661 -23.370 6.987 1.00 53.01 C ATOM 363 O GLN A 22 27.871 -23.301 5.775 1.00 3.32 O ATOM 364 CB GLN A 22 25.424 -24.163 7.777 1.00 32.23 C ATOM 365 CG GLN A 22 24.619 -25.207 8.535 1.00 63.00 C ATOM 366 CD GLN A 22 23.578 -25.885 7.666 1.00 23.23 C ATOM 367 OE1 GLN A 22 22.989 -25.262 6.783 1.00 70.23 O ATOM 368 NE2 GLN A 22 23.346 -27.169 7.913 1.00 23.12 N ATOM 0 H GLN A 22 27.215 -24.389 9.646 1.00 25.35 H new ATOM 0 HA GLN A 22 26.952 -25.384 6.887 1.00 52.43 H new ATOM 0 HB2 GLN A 22 25.373 -23.216 8.314 1.00 32.23 H new ATOM 0 HB3 GLN A 22 24.966 -24.001 6.801 1.00 32.23 H new ATOM 0 HG2 GLN A 22 25.296 -25.960 8.939 1.00 63.00 H new ATOM 0 HG3 GLN A 22 24.126 -24.734 9.384 1.00 63.00 H new ATOM 0 HE21 GLN A 22 23.858 -27.646 8.655 1.00 23.12 H new ATOM 0 HE22 GLN A 22 22.656 -27.678 7.360 1.00 23.12 H new ATOM 377 N LEU A 23 28.077 -22.447 7.847 1.00 64.21 N ATOM 378 CA LEU A 23 28.823 -21.273 7.407 1.00 23.14 C ATOM 379 C LEU A 23 30.217 -21.662 6.925 1.00 20.42 C ATOM 380 O LEU A 23 30.611 -21.338 5.806 1.00 1.50 O ATOM 381 CB LEU A 23 28.930 -20.257 8.546 1.00 44.01 C ATOM 382 CG LEU A 23 27.649 -20.000 9.339 1.00 54.11 C ATOM 383 CD1 LEU A 23 27.954 -19.220 10.608 1.00 14.22 C ATOM 384 CD2 LEU A 23 26.633 -19.256 8.484 1.00 11.23 C ATOM 0 H LEU A 23 27.911 -22.489 8.852 1.00 64.21 H new ATOM 0 HA LEU A 23 28.284 -20.822 6.574 1.00 23.14 H new ATOM 0 HB2 LEU A 23 29.700 -20.597 9.238 1.00 44.01 H new ATOM 0 HB3 LEU A 23 29.272 -19.309 8.130 1.00 44.01 H new ATOM 0 HG LEU A 23 27.221 -20.961 9.623 1.00 54.11 H new ATOM 0 HD11 LEU A 23 27.030 -19.046 11.159 1.00 14.22 H new ATOM 0 HD12 LEU A 23 28.645 -19.790 11.228 1.00 14.22 H new ATOM 0 HD13 LEU A 23 28.406 -18.263 10.347 1.00 14.22 H new ATOM 0 HD21 LEU A 23 25.727 -19.081 9.065 1.00 11.23 H new ATOM 0 HD22 LEU A 23 27.052 -18.300 8.170 1.00 11.23 H new ATOM 0 HD23 LEU A 23 26.391 -19.853 7.605 1.00 11.23 H new ATOM 396 N GLY A 24 30.959 -22.363 7.778 1.00 34.00 N ATOM 397 CA GLY A 24 32.300 -22.787 7.420 1.00 35.31 C ATOM 398 C GLY A 24 33.253 -21.620 7.258 1.00 20.11 C ATOM 399 O GLY A 24 33.933 -21.229 8.207 1.00 60.10 O ATOM 0 H GLY A 24 30.655 -22.644 8.710 1.00 34.00 H new ATOM 0 HA2 GLY A 24 32.682 -23.460 8.188 1.00 35.31 H new ATOM 0 HA3 GLY A 24 32.262 -23.353 6.489 1.00 35.31 H new ATOM 403 N ARG A 25 33.305 -21.063 6.053 1.00 73.25 N ATOM 404 CA ARG A 25 34.184 -19.936 5.769 1.00 44.32 C ATOM 405 C ARG A 25 33.378 -18.707 5.360 1.00 41.44 C ATOM 406 O ARG A 25 33.906 -17.783 4.738 1.00 31.31 O ATOM 407 CB ARG A 25 35.175 -20.301 4.662 1.00 4.50 C ATOM 408 CG ARG A 25 36.471 -19.507 4.718 1.00 34.13 C ATOM 409 CD ARG A 25 37.342 -19.946 5.884 1.00 25.04 C ATOM 410 NE ARG A 25 38.058 -21.186 5.596 1.00 31.24 N ATOM 411 CZ ARG A 25 38.677 -21.909 6.523 1.00 64.34 C ATOM 412 NH1 ARG A 25 38.669 -21.518 7.789 1.00 35.24 N ATOM 413 NH2 ARG A 25 39.307 -23.027 6.182 1.00 10.34 N ATOM 0 H ARG A 25 32.748 -21.374 5.257 1.00 73.25 H new ATOM 0 HA ARG A 25 34.736 -19.700 6.679 1.00 44.32 H new ATOM 0 HB2 ARG A 25 35.407 -21.364 4.730 1.00 4.50 H new ATOM 0 HB3 ARG A 25 34.701 -20.139 3.694 1.00 4.50 H new ATOM 0 HG2 ARG A 25 37.019 -19.636 3.784 1.00 34.13 H new ATOM 0 HG3 ARG A 25 36.245 -18.445 4.811 1.00 34.13 H new ATOM 0 HD2 ARG A 25 38.059 -19.159 6.117 1.00 25.04 H new ATOM 0 HD3 ARG A 25 36.721 -20.083 6.769 1.00 25.04 H new ATOM 0 HE ARG A 25 38.084 -21.515 4.631 1.00 31.24 H new ATOM 0 HH11 ARG A 25 38.187 -20.659 8.055 1.00 35.24 H new ATOM 0 HH12 ARG A 25 39.145 -22.076 8.498 1.00 35.24 H new ATOM 0 HH21 ARG A 25 39.316 -23.331 5.208 1.00 10.34 H new ATOM 0 HH22 ARG A 25 39.782 -23.582 6.894 1.00 10.34 H new ATOM 427 N LEU A 26 32.097 -18.702 5.711 1.00 2.24 N ATOM 428 CA LEU A 26 31.217 -17.586 5.381 1.00 70.54 C ATOM 429 C LEU A 26 31.245 -16.527 6.477 1.00 10.15 C ATOM 430 O LEU A 26 31.610 -16.808 7.619 1.00 21.54 O ATOM 431 CB LEU A 26 29.786 -18.085 5.173 1.00 13.34 C ATOM 432 CG LEU A 26 29.282 -18.099 3.730 1.00 64.34 C ATOM 433 CD1 LEU A 26 28.295 -19.237 3.520 1.00 63.02 C ATOM 434 CD2 LEU A 26 28.644 -16.764 3.374 1.00 60.51 C ATOM 0 H LEU A 26 31.644 -19.458 6.224 1.00 2.24 H new ATOM 0 HA LEU A 26 31.576 -17.133 4.457 1.00 70.54 H new ATOM 0 HB2 LEU A 26 29.714 -19.097 5.571 1.00 13.34 H new ATOM 0 HB3 LEU A 26 29.116 -17.461 5.765 1.00 13.34 H new ATOM 0 HG LEU A 26 30.134 -18.259 3.070 1.00 64.34 H new ATOM 0 HD11 LEU A 26 27.947 -19.231 2.487 1.00 63.02 H new ATOM 0 HD12 LEU A 26 28.785 -20.187 3.732 1.00 63.02 H new ATOM 0 HD13 LEU A 26 27.445 -19.109 4.190 1.00 63.02 H new ATOM 0 HD21 LEU A 26 28.291 -16.793 2.343 1.00 60.51 H new ATOM 0 HD22 LEU A 26 27.803 -16.574 4.040 1.00 60.51 H new ATOM 0 HD23 LEU A 26 29.381 -15.968 3.483 1.00 60.51 H new ATOM 446 N THR A 27 30.855 -15.306 6.124 1.00 34.11 N ATOM 447 CA THR A 27 30.834 -14.204 7.078 1.00 72.32 C ATOM 448 C THR A 27 29.559 -13.380 6.937 1.00 4.45 C ATOM 449 O THR A 27 28.946 -13.342 5.870 1.00 64.13 O ATOM 450 CB THR A 27 32.053 -13.280 6.895 1.00 35.14 C ATOM 451 OG1 THR A 27 33.252 -14.059 6.829 1.00 3.14 O ATOM 452 CG2 THR A 27 32.152 -12.283 8.040 1.00 55.22 C ATOM 0 H THR A 27 30.549 -15.055 5.184 1.00 34.11 H new ATOM 0 HA THR A 27 30.869 -14.646 8.074 1.00 72.32 H new ATOM 0 HB THR A 27 31.927 -12.728 5.963 1.00 35.14 H new ATOM 0 HG1 THR A 27 34.022 -13.465 6.711 1.00 3.14 H new ATOM 0 HG21 THR A 27 33.020 -11.641 7.890 1.00 55.22 H new ATOM 0 HG22 THR A 27 31.250 -11.672 8.070 1.00 55.22 H new ATOM 0 HG23 THR A 27 32.257 -12.821 8.982 1.00 55.22 H new ATOM 460 N LEU A 28 29.166 -12.719 8.021 1.00 75.23 N ATOM 461 CA LEU A 28 27.963 -11.893 8.018 1.00 21.21 C ATOM 462 C LEU A 28 27.962 -10.937 6.829 1.00 34.34 C ATOM 463 O LEU A 28 26.933 -10.737 6.184 1.00 4.52 O ATOM 464 CB LEU A 28 27.861 -11.102 9.323 1.00 21.24 C ATOM 465 CG LEU A 28 26.480 -11.065 9.980 1.00 44.15 C ATOM 466 CD1 LEU A 28 26.607 -11.120 11.494 1.00 65.40 C ATOM 467 CD2 LEU A 28 25.720 -9.818 9.552 1.00 61.14 C ATOM 0 H LEU A 28 29.662 -12.739 8.912 1.00 75.23 H new ATOM 0 HA LEU A 28 27.099 -12.552 7.931 1.00 21.21 H new ATOM 0 HB2 LEU A 28 28.569 -11.524 10.036 1.00 21.24 H new ATOM 0 HB3 LEU A 28 28.176 -10.077 9.129 1.00 21.24 H new ATOM 0 HG LEU A 28 25.919 -11.940 9.651 1.00 44.15 H new ATOM 0 HD11 LEU A 28 25.614 -11.093 11.944 1.00 65.40 H new ATOM 0 HD12 LEU A 28 27.111 -12.042 11.784 1.00 65.40 H new ATOM 0 HD13 LEU A 28 27.187 -10.265 11.842 1.00 65.40 H new ATOM 0 HD21 LEU A 28 24.740 -9.808 10.029 1.00 61.14 H new ATOM 0 HD22 LEU A 28 26.278 -8.931 9.851 1.00 61.14 H new ATOM 0 HD23 LEU A 28 25.597 -9.821 8.469 1.00 61.14 H new ATOM 479 N GLU A 29 29.121 -10.353 6.545 1.00 2.44 N ATOM 480 CA GLU A 29 29.253 -9.419 5.433 1.00 51.00 C ATOM 481 C GLU A 29 28.940 -10.106 4.107 1.00 43.45 C ATOM 482 O GLU A 29 28.326 -9.514 3.219 1.00 22.21 O ATOM 483 CB GLU A 29 30.665 -8.832 5.395 1.00 3.24 C ATOM 484 CG GLU A 29 30.898 -7.879 4.235 1.00 14.31 C ATOM 485 CD GLU A 29 31.202 -6.466 4.693 1.00 43.51 C ATOM 486 OE1 GLU A 29 30.515 -5.979 5.615 1.00 4.10 O ATOM 487 OE2 GLU A 29 32.129 -5.846 4.128 1.00 35.53 O ATOM 0 H GLU A 29 29.982 -10.510 7.069 1.00 2.44 H new ATOM 0 HA GLU A 29 28.536 -8.611 5.583 1.00 51.00 H new ATOM 0 HB2 GLU A 29 30.856 -8.306 6.330 1.00 3.24 H new ATOM 0 HB3 GLU A 29 31.386 -9.647 5.335 1.00 3.24 H new ATOM 0 HG2 GLU A 29 31.726 -8.246 3.629 1.00 14.31 H new ATOM 0 HG3 GLU A 29 30.015 -7.868 3.596 1.00 14.31 H new ATOM 494 N MET A 30 29.368 -11.357 3.980 1.00 63.43 N ATOM 495 CA MET A 30 29.134 -12.125 2.762 1.00 32.23 C ATOM 496 C MET A 30 27.642 -12.359 2.546 1.00 21.52 C ATOM 497 O MET A 30 27.129 -12.175 1.443 1.00 61.32 O ATOM 498 CB MET A 30 29.868 -13.466 2.830 1.00 51.22 C ATOM 499 CG MET A 30 31.349 -13.332 3.144 1.00 21.33 C ATOM 500 SD MET A 30 32.370 -14.452 2.168 1.00 62.44 S ATOM 501 CE MET A 30 33.564 -14.979 3.395 1.00 41.25 C ATOM 0 H MET A 30 29.879 -11.861 4.705 1.00 63.43 H new ATOM 0 HA MET A 30 29.520 -11.551 1.920 1.00 32.23 H new ATOM 0 HB2 MET A 30 29.399 -14.090 3.591 1.00 51.22 H new ATOM 0 HB3 MET A 30 29.752 -13.983 1.878 1.00 51.22 H new ATOM 0 HG2 MET A 30 31.664 -12.305 2.959 1.00 21.33 H new ATOM 0 HG3 MET A 30 31.511 -13.529 4.204 1.00 21.33 H new ATOM 0 HE1 MET A 30 34.166 -15.793 2.991 1.00 41.25 H new ATOM 0 HE2 MET A 30 34.213 -14.142 3.654 1.00 41.25 H new ATOM 0 HE3 MET A 30 33.041 -15.323 4.287 1.00 41.25 H new ATOM 511 N MET A 31 26.952 -12.767 3.606 1.00 12.34 N ATOM 512 CA MET A 31 25.519 -13.025 3.531 1.00 35.05 C ATOM 513 C MET A 31 24.732 -11.719 3.490 1.00 41.43 C ATOM 514 O MET A 31 23.673 -11.641 2.869 1.00 13.03 O ATOM 515 CB MET A 31 25.067 -13.867 4.726 1.00 24.52 C ATOM 516 CG MET A 31 25.892 -15.128 4.927 1.00 64.21 C ATOM 517 SD MET A 31 25.339 -16.103 6.339 1.00 31.02 S ATOM 518 CE MET A 31 24.051 -17.093 5.584 1.00 42.52 C ATOM 0 H MET A 31 27.362 -12.926 4.526 1.00 12.34 H new ATOM 0 HA MET A 31 25.323 -13.576 2.611 1.00 35.05 H new ATOM 0 HB2 MET A 31 25.121 -13.259 5.629 1.00 24.52 H new ATOM 0 HB3 MET A 31 24.022 -14.144 4.590 1.00 24.52 H new ATOM 0 HG2 MET A 31 25.840 -15.739 4.026 1.00 64.21 H new ATOM 0 HG3 MET A 31 26.938 -14.855 5.067 1.00 64.21 H new ATOM 0 HE1 MET A 31 23.575 -17.712 6.345 1.00 42.52 H new ATOM 0 HE2 MET A 31 23.307 -16.438 5.131 1.00 42.52 H new ATOM 0 HE3 MET A 31 24.487 -17.733 4.816 1.00 42.52 H new ATOM 528 N ASN A 32 25.258 -10.695 4.154 1.00 2.13 N ATOM 529 CA ASN A 32 24.604 -9.392 4.193 1.00 2.13 C ATOM 530 C ASN A 32 24.461 -8.813 2.789 1.00 10.11 C ATOM 531 O ASN A 32 23.430 -8.234 2.448 1.00 30.05 O ATOM 532 CB ASN A 32 25.397 -8.426 5.077 1.00 72.52 C ATOM 533 CG ASN A 32 24.773 -7.045 5.128 1.00 62.01 C ATOM 534 OD1 ASN A 32 23.813 -6.812 5.862 1.00 73.21 O ATOM 535 ND2 ASN A 32 25.318 -6.121 4.346 1.00 44.32 N ATOM 0 H ASN A 32 26.135 -10.742 4.672 1.00 2.13 H new ATOM 0 HA ASN A 32 23.608 -9.526 4.615 1.00 2.13 H new ATOM 0 HB2 ASN A 32 25.460 -8.831 6.087 1.00 72.52 H new ATOM 0 HB3 ASN A 32 26.417 -8.347 4.701 1.00 72.52 H new ATOM 0 HD21 ASN A 32 24.941 -5.173 4.338 1.00 44.32 H new ATOM 0 HD22 ASN A 32 26.113 -6.359 3.753 1.00 44.32 H new ATOM 542 N GLU A 33 25.503 -8.974 1.979 1.00 33.31 N ATOM 543 CA GLU A 33 25.492 -8.467 0.612 1.00 63.20 C ATOM 544 C GLU A 33 24.758 -9.428 -0.319 1.00 41.20 C ATOM 545 O GLU A 33 24.197 -9.017 -1.335 1.00 41.42 O ATOM 546 CB GLU A 33 26.923 -8.250 0.114 1.00 72.40 C ATOM 547 CG GLU A 33 27.775 -9.508 0.145 1.00 4.33 C ATOM 548 CD GLU A 33 29.249 -9.219 -0.065 1.00 10.40 C ATOM 549 OE1 GLU A 33 29.611 -8.749 -1.164 1.00 23.41 O ATOM 550 OE2 GLU A 33 30.040 -9.462 0.871 1.00 51.25 O ATOM 0 H GLU A 33 26.364 -9.451 2.246 1.00 33.31 H new ATOM 0 HA GLU A 33 24.965 -7.513 0.610 1.00 63.20 H new ATOM 0 HB2 GLU A 33 26.890 -7.869 -0.907 1.00 72.40 H new ATOM 0 HB3 GLU A 33 27.399 -7.483 0.725 1.00 72.40 H new ATOM 0 HG2 GLU A 33 27.640 -10.010 1.103 1.00 4.33 H new ATOM 0 HG3 GLU A 33 27.430 -10.195 -0.627 1.00 4.33 H new ATOM 557 N ILE A 34 24.767 -10.708 0.035 1.00 21.41 N ATOM 558 CA ILE A 34 24.102 -11.727 -0.768 1.00 22.24 C ATOM 559 C ILE A 34 22.586 -11.616 -0.650 1.00 72.45 C ATOM 560 O ILE A 34 21.872 -11.634 -1.653 1.00 52.02 O ATOM 561 CB ILE A 34 24.536 -13.145 -0.350 1.00 12.20 C ATOM 562 CG1 ILE A 34 25.947 -13.442 -0.862 1.00 12.42 C ATOM 563 CG2 ILE A 34 23.548 -14.177 -0.874 1.00 44.31 C ATOM 564 CD1 ILE A 34 26.648 -14.543 -0.097 1.00 52.50 C ATOM 0 H ILE A 34 25.227 -11.065 0.872 1.00 21.41 H new ATOM 0 HA ILE A 34 24.397 -11.556 -1.803 1.00 22.24 H new ATOM 0 HB ILE A 34 24.546 -13.200 0.739 1.00 12.20 H new ATOM 0 HG12 ILE A 34 25.892 -13.720 -1.914 1.00 12.42 H new ATOM 0 HG13 ILE A 34 26.545 -12.533 -0.804 1.00 12.42 H new ATOM 0 HG21 ILE A 34 23.868 -15.174 -0.571 1.00 44.31 H new ATOM 0 HG22 ILE A 34 22.558 -13.974 -0.465 1.00 44.31 H new ATOM 0 HG23 ILE A 34 23.509 -14.124 -1.962 1.00 44.31 H new ATOM 0 HD11 ILE A 34 27.643 -14.700 -0.514 1.00 52.50 H new ATOM 0 HD12 ILE A 34 26.735 -14.259 0.952 1.00 52.50 H new ATOM 0 HD13 ILE A 34 26.072 -15.465 -0.176 1.00 52.50 H new ATOM 576 N VAL A 35 22.100 -11.500 0.581 1.00 32.23 N ATOM 577 CA VAL A 35 20.668 -11.383 0.830 1.00 20.14 C ATOM 578 C VAL A 35 20.153 -10.003 0.437 1.00 31.23 C ATOM 579 O VAL A 35 19.035 -9.865 -0.060 1.00 2.25 O ATOM 580 CB VAL A 35 20.333 -11.641 2.311 1.00 20.44 C ATOM 581 CG1 VAL A 35 18.827 -11.722 2.512 1.00 24.32 C ATOM 582 CG2 VAL A 35 21.013 -12.912 2.797 1.00 20.53 C ATOM 0 H VAL A 35 22.677 -11.484 1.422 1.00 32.23 H new ATOM 0 HA VAL A 35 20.177 -12.139 0.217 1.00 20.14 H new ATOM 0 HB VAL A 35 20.710 -10.806 2.902 1.00 20.44 H new ATOM 0 HG11 VAL A 35 18.610 -11.905 3.564 1.00 24.32 H new ATOM 0 HG12 VAL A 35 18.368 -10.782 2.204 1.00 24.32 H new ATOM 0 HG13 VAL A 35 18.423 -12.537 1.911 1.00 24.32 H new ATOM 0 HG21 VAL A 35 20.766 -13.079 3.845 1.00 20.53 H new ATOM 0 HG22 VAL A 35 20.668 -13.759 2.203 1.00 20.53 H new ATOM 0 HG23 VAL A 35 22.093 -12.810 2.691 1.00 20.53 H new ATOM 592 N SER A 36 20.976 -8.984 0.663 1.00 52.02 N ATOM 593 CA SER A 36 20.602 -7.613 0.335 1.00 24.02 C ATOM 594 C SER A 36 20.410 -7.447 -1.169 1.00 62.12 C ATOM 595 O SER A 36 19.380 -6.949 -1.625 1.00 22.44 O ATOM 596 CB SER A 36 21.670 -6.638 0.835 1.00 10.11 C ATOM 597 OG SER A 36 21.588 -5.399 0.153 1.00 44.43 O ATOM 0 H SER A 36 21.905 -9.082 1.072 1.00 52.02 H new ATOM 0 HA SER A 36 19.657 -7.392 0.831 1.00 24.02 H new ATOM 0 HB2 SER A 36 21.547 -6.476 1.906 1.00 10.11 H new ATOM 0 HB3 SER A 36 22.659 -7.072 0.690 1.00 10.11 H new ATOM 0 HG SER A 36 22.280 -4.793 0.491 1.00 44.43 H new ATOM 603 N LYS A 37 21.410 -7.868 -1.937 1.00 11.42 N ATOM 604 CA LYS A 37 21.353 -7.768 -3.390 1.00 62.03 C ATOM 605 C LYS A 37 20.220 -8.622 -3.950 1.00 63.15 C ATOM 606 O LYS A 37 19.532 -8.219 -4.887 1.00 72.14 O ATOM 607 CB LYS A 37 22.686 -8.203 -4.004 1.00 73.23 C ATOM 608 CG LYS A 37 22.810 -7.877 -5.482 1.00 51.44 C ATOM 609 CD LYS A 37 22.804 -6.377 -5.724 1.00 52.54 C ATOM 610 CE LYS A 37 24.211 -5.841 -5.943 1.00 32.43 C ATOM 611 NZ LYS A 37 24.439 -4.565 -5.210 1.00 32.32 N ATOM 0 H LYS A 37 22.270 -8.282 -1.576 1.00 11.42 H new ATOM 0 HA LYS A 37 21.162 -6.727 -3.651 1.00 62.03 H new ATOM 0 HB2 LYS A 37 23.500 -7.719 -3.464 1.00 73.23 H new ATOM 0 HB3 LYS A 37 22.806 -9.278 -3.866 1.00 73.23 H new ATOM 0 HG2 LYS A 37 23.732 -8.306 -5.874 1.00 51.44 H new ATOM 0 HG3 LYS A 37 21.987 -8.338 -6.028 1.00 51.44 H new ATOM 0 HD2 LYS A 37 22.188 -6.150 -6.594 1.00 52.54 H new ATOM 0 HD3 LYS A 37 22.350 -5.872 -4.872 1.00 52.54 H new ATOM 0 HE2 LYS A 37 24.938 -6.584 -5.614 1.00 32.43 H new ATOM 0 HE3 LYS A 37 24.377 -5.682 -7.008 1.00 32.43 H new ATOM 0 HZ1 LYS A 37 25.409 -4.233 -5.385 1.00 32.32 H new ATOM 0 HZ2 LYS A 37 23.762 -3.848 -5.542 1.00 32.32 H new ATOM 0 HZ3 LYS A 37 24.305 -4.722 -4.191 1.00 32.32 H new ATOM 625 N MET A 38 20.032 -9.802 -3.369 1.00 62.44 N ATOM 626 CA MET A 38 18.980 -10.712 -3.810 1.00 4.43 C ATOM 627 C MET A 38 17.614 -10.038 -3.738 1.00 11.43 C ATOM 628 O MET A 38 16.820 -10.122 -4.675 1.00 12.33 O ATOM 629 CB MET A 38 18.982 -11.980 -2.954 1.00 61.03 C ATOM 630 CG MET A 38 17.636 -12.285 -2.318 1.00 20.44 C ATOM 631 SD MET A 38 17.582 -13.920 -1.557 1.00 50.54 S ATOM 632 CE MET A 38 15.993 -14.510 -2.136 1.00 12.42 C ATOM 0 H MET A 38 20.594 -10.151 -2.592 1.00 62.44 H new ATOM 0 HA MET A 38 19.178 -10.982 -4.847 1.00 4.43 H new ATOM 0 HB2 MET A 38 19.282 -12.826 -3.573 1.00 61.03 H new ATOM 0 HB3 MET A 38 19.731 -11.877 -2.169 1.00 61.03 H new ATOM 0 HG2 MET A 38 17.415 -11.530 -1.564 1.00 20.44 H new ATOM 0 HG3 MET A 38 16.856 -12.215 -3.076 1.00 20.44 H new ATOM 0 HE1 MET A 38 16.032 -15.592 -2.265 1.00 12.42 H new ATOM 0 HE2 MET A 38 15.224 -14.259 -1.406 1.00 12.42 H new ATOM 0 HE3 MET A 38 15.755 -14.039 -3.090 1.00 12.42 H new ATOM 642 N ASP A 39 17.347 -9.370 -2.621 1.00 33.13 N ATOM 643 CA ASP A 39 16.076 -8.681 -2.427 1.00 41.12 C ATOM 644 C ASP A 39 15.944 -7.504 -3.389 1.00 61.31 C ATOM 645 O ASP A 39 14.841 -7.150 -3.805 1.00 34.33 O ATOM 646 CB ASP A 39 15.952 -8.192 -0.983 1.00 55.24 C ATOM 647 CG ASP A 39 14.553 -7.709 -0.654 1.00 54.04 C ATOM 648 OD1 ASP A 39 13.611 -8.077 -1.387 1.00 51.31 O ATOM 649 OD2 ASP A 39 14.400 -6.963 0.335 1.00 14.44 O ATOM 0 H ASP A 39 17.994 -9.291 -1.836 1.00 33.13 H new ATOM 0 HA ASP A 39 15.272 -9.388 -2.633 1.00 41.12 H new ATOM 0 HB2 ASP A 39 16.223 -9.000 -0.304 1.00 55.24 H new ATOM 0 HB3 ASP A 39 16.662 -7.382 -0.814 1.00 55.24 H new ATOM 654 N ASP A 40 17.076 -6.902 -3.738 1.00 34.12 N ATOM 655 CA ASP A 40 17.087 -5.765 -4.651 1.00 32.02 C ATOM 656 C ASP A 40 16.553 -6.165 -6.023 1.00 1.41 C ATOM 657 O ASP A 40 15.584 -5.586 -6.516 1.00 65.43 O ATOM 658 CB ASP A 40 18.504 -5.205 -4.784 1.00 53.23 C ATOM 659 CG ASP A 40 18.582 -4.057 -5.772 1.00 32.03 C ATOM 660 OD1 ASP A 40 18.773 -4.323 -6.977 1.00 53.11 O ATOM 661 OD2 ASP A 40 18.451 -2.893 -5.339 1.00 61.03 O ATOM 0 H ASP A 40 17.998 -7.182 -3.402 1.00 34.12 H new ATOM 0 HA ASP A 40 16.437 -4.993 -4.239 1.00 32.02 H new ATOM 0 HB2 ASP A 40 18.850 -4.865 -3.808 1.00 53.23 H new ATOM 0 HB3 ASP A 40 19.178 -6.001 -5.102 1.00 53.23 H new ATOM 666 N PHE A 41 17.192 -7.156 -6.635 1.00 20.11 N ATOM 667 CA PHE A 41 16.783 -7.632 -7.951 1.00 40.23 C ATOM 668 C PHE A 41 15.349 -8.152 -7.920 1.00 52.13 C ATOM 669 O PHE A 41 14.533 -7.808 -8.777 1.00 30.42 O ATOM 670 CB PHE A 41 17.727 -8.735 -8.435 1.00 1.35 C ATOM 671 CG PHE A 41 17.409 -9.234 -9.815 1.00 33.23 C ATOM 672 CD1 PHE A 41 16.935 -8.368 -10.787 1.00 61.11 C ATOM 673 CD2 PHE A 41 17.583 -10.570 -10.140 1.00 4.30 C ATOM 674 CE1 PHE A 41 16.641 -8.825 -12.058 1.00 34.54 C ATOM 675 CE2 PHE A 41 17.291 -11.033 -11.409 1.00 50.31 C ATOM 676 CZ PHE A 41 16.820 -10.159 -12.369 1.00 71.14 C ATOM 0 H PHE A 41 17.995 -7.645 -6.241 1.00 20.11 H new ATOM 0 HA PHE A 41 16.832 -6.792 -8.644 1.00 40.23 H new ATOM 0 HB2 PHE A 41 18.750 -8.359 -8.420 1.00 1.35 H new ATOM 0 HB3 PHE A 41 17.685 -9.571 -7.737 1.00 1.35 H new ATOM 0 HD1 PHE A 41 16.794 -7.324 -10.549 1.00 61.11 H new ATOM 0 HD2 PHE A 41 17.951 -11.257 -9.393 1.00 4.30 H new ATOM 0 HE1 PHE A 41 16.272 -8.140 -12.807 1.00 34.54 H new ATOM 0 HE2 PHE A 41 17.431 -12.077 -11.650 1.00 50.31 H new ATOM 0 HZ PHE A 41 16.592 -10.518 -13.362 1.00 71.14 H new ATOM 686 N LEU A 42 15.049 -8.983 -6.928 1.00 13.50 N ATOM 687 CA LEU A 42 13.713 -9.552 -6.784 1.00 42.41 C ATOM 688 C LEU A 42 12.679 -8.458 -6.538 1.00 12.01 C ATOM 689 O LEU A 42 11.521 -8.584 -6.935 1.00 60.42 O ATOM 690 CB LEU A 42 13.689 -10.561 -5.635 1.00 15.11 C ATOM 691 CG LEU A 42 13.048 -11.914 -5.944 1.00 31.50 C ATOM 692 CD1 LEU A 42 11.534 -11.785 -6.014 1.00 63.12 C ATOM 693 CD2 LEU A 42 13.598 -12.480 -7.245 1.00 54.14 C ATOM 0 H LEU A 42 15.712 -9.278 -6.212 1.00 13.50 H new ATOM 0 HA LEU A 42 13.460 -10.063 -7.713 1.00 42.41 H new ATOM 0 HB2 LEU A 42 14.714 -10.733 -5.308 1.00 15.11 H new ATOM 0 HB3 LEU A 42 13.158 -10.113 -4.795 1.00 15.11 H new ATOM 0 HG LEU A 42 13.296 -12.604 -5.137 1.00 31.50 H new ATOM 0 HD11 LEU A 42 11.096 -12.758 -6.235 1.00 63.12 H new ATOM 0 HD12 LEU A 42 11.155 -11.425 -5.058 1.00 63.12 H new ATOM 0 HD13 LEU A 42 11.265 -11.079 -6.800 1.00 63.12 H new ATOM 0 HD21 LEU A 42 13.131 -13.443 -7.449 1.00 54.14 H new ATOM 0 HD22 LEU A 42 13.382 -11.791 -8.062 1.00 54.14 H new ATOM 0 HD23 LEU A 42 14.677 -12.611 -7.157 1.00 54.14 H new ATOM 705 N MET A 43 13.106 -7.384 -5.882 1.00 14.12 N ATOM 706 CA MET A 43 12.217 -6.266 -5.586 1.00 32.31 C ATOM 707 C MET A 43 11.781 -5.564 -6.868 1.00 3.10 C ATOM 708 O MET A 43 10.629 -5.150 -7.001 1.00 23.01 O ATOM 709 CB MET A 43 12.909 -5.269 -4.654 1.00 74.51 C ATOM 710 CG MET A 43 12.109 -3.997 -4.423 1.00 60.45 C ATOM 711 SD MET A 43 12.945 -2.842 -3.320 1.00 33.22 S ATOM 712 CE MET A 43 14.234 -2.219 -4.395 1.00 64.32 C ATOM 0 H MET A 43 14.061 -7.264 -5.545 1.00 14.12 H new ATOM 0 HA MET A 43 11.330 -6.661 -5.090 1.00 32.31 H new ATOM 0 HB2 MET A 43 13.095 -5.751 -3.694 1.00 74.51 H new ATOM 0 HB3 MET A 43 13.880 -5.006 -5.073 1.00 74.51 H new ATOM 0 HG2 MET A 43 11.924 -3.510 -5.380 1.00 60.45 H new ATOM 0 HG3 MET A 43 11.137 -4.255 -4.003 1.00 60.45 H new ATOM 0 HE1 MET A 43 14.713 -1.358 -3.928 1.00 64.32 H new ATOM 0 HE2 MET A 43 14.976 -3.000 -4.564 1.00 64.32 H new ATOM 0 HE3 MET A 43 13.799 -1.919 -5.348 1.00 64.32 H new ATOM 722 N LYS A 44 12.709 -5.432 -7.810 1.00 23.14 N ATOM 723 CA LYS A 44 12.422 -4.781 -9.082 1.00 51.30 C ATOM 724 C LYS A 44 11.520 -5.653 -9.949 1.00 33.54 C ATOM 725 O LYS A 44 10.651 -5.151 -10.661 1.00 54.13 O ATOM 726 CB LYS A 44 13.723 -4.476 -9.828 1.00 0.53 C ATOM 727 CG LYS A 44 14.055 -5.487 -10.911 1.00 53.02 C ATOM 728 CD LYS A 44 15.442 -5.253 -11.486 1.00 75.34 C ATOM 729 CE LYS A 44 15.413 -4.230 -12.612 1.00 21.43 C ATOM 730 NZ LYS A 44 16.772 -3.977 -13.165 1.00 2.51 N ATOM 0 H LYS A 44 13.667 -5.768 -7.716 1.00 23.14 H new ATOM 0 HA LYS A 44 11.902 -3.846 -8.873 1.00 51.30 H new ATOM 0 HB2 LYS A 44 13.651 -3.486 -10.277 1.00 0.53 H new ATOM 0 HB3 LYS A 44 14.543 -4.442 -9.111 1.00 0.53 H new ATOM 0 HG2 LYS A 44 13.996 -6.495 -10.500 1.00 53.02 H new ATOM 0 HG3 LYS A 44 13.314 -5.424 -11.708 1.00 53.02 H new ATOM 0 HD2 LYS A 44 16.111 -4.909 -10.697 1.00 75.34 H new ATOM 0 HD3 LYS A 44 15.846 -6.194 -11.858 1.00 75.34 H new ATOM 0 HE2 LYS A 44 14.757 -4.584 -13.407 1.00 21.43 H new ATOM 0 HE3 LYS A 44 14.991 -3.295 -12.243 1.00 21.43 H new ATOM 0 HZ1 LYS A 44 16.692 -3.439 -14.051 1.00 2.51 H new ATOM 0 HZ2 LYS A 44 17.330 -3.431 -12.478 1.00 2.51 H new ATOM 0 HZ3 LYS A 44 17.245 -4.884 -13.353 1.00 2.51 H new ATOM 744 N LYS A 45 11.730 -6.964 -9.882 1.00 5.42 N ATOM 745 CA LYS A 45 10.935 -7.908 -10.658 1.00 11.43 C ATOM 746 C LYS A 45 9.468 -7.854 -10.242 1.00 24.24 C ATOM 747 O LYS A 45 8.582 -7.688 -11.079 1.00 15.02 O ATOM 748 CB LYS A 45 11.475 -9.328 -10.480 1.00 21.41 C ATOM 749 CG LYS A 45 12.899 -9.504 -10.978 1.00 23.44 C ATOM 750 CD LYS A 45 12.962 -9.519 -12.496 1.00 33.03 C ATOM 751 CE LYS A 45 13.187 -8.124 -13.058 1.00 14.32 C ATOM 752 NZ LYS A 45 12.354 -7.872 -14.267 1.00 3.13 N ATOM 0 H LYS A 45 12.445 -7.397 -9.297 1.00 5.42 H new ATOM 0 HA LYS A 45 11.007 -7.628 -11.709 1.00 11.43 H new ATOM 0 HB2 LYS A 45 11.433 -9.594 -9.424 1.00 21.41 H new ATOM 0 HB3 LYS A 45 10.825 -10.024 -11.010 1.00 21.41 H new ATOM 0 HG2 LYS A 45 13.522 -8.695 -10.595 1.00 23.44 H new ATOM 0 HG3 LYS A 45 13.310 -10.435 -10.587 1.00 23.44 H new ATOM 0 HD2 LYS A 45 13.767 -10.178 -12.821 1.00 33.03 H new ATOM 0 HD3 LYS A 45 12.034 -9.928 -12.896 1.00 33.03 H new ATOM 0 HE2 LYS A 45 12.952 -7.383 -12.294 1.00 14.32 H new ATOM 0 HE3 LYS A 45 14.240 -8.000 -13.310 1.00 14.32 H new ATOM 0 HZ1 LYS A 45 12.281 -6.848 -14.431 1.00 3.13 H new ATOM 0 HZ2 LYS A 45 12.795 -8.324 -15.093 1.00 3.13 H new ATOM 0 HZ3 LYS A 45 11.403 -8.268 -14.122 1.00 3.13 H new ATOM 766 N SER A 46 9.221 -7.995 -8.943 1.00 51.32 N ATOM 767 CA SER A 46 7.861 -7.965 -8.417 1.00 4.34 C ATOM 768 C SER A 46 7.221 -6.599 -8.644 1.00 11.32 C ATOM 769 O SER A 46 5.998 -6.477 -8.713 1.00 53.14 O ATOM 770 CB SER A 46 7.863 -8.298 -6.923 1.00 53.05 C ATOM 771 OG SER A 46 6.582 -8.729 -6.496 1.00 3.00 O ATOM 0 H SER A 46 9.944 -8.131 -8.236 1.00 51.32 H new ATOM 0 HA SER A 46 7.275 -8.714 -8.949 1.00 4.34 H new ATOM 0 HB2 SER A 46 8.598 -9.077 -6.722 1.00 53.05 H new ATOM 0 HB3 SER A 46 8.164 -7.420 -6.352 1.00 53.05 H new ATOM 0 HG SER A 46 6.609 -8.937 -5.539 1.00 3.00 H new ATOM 777 N LYS A 47 8.057 -5.572 -8.759 1.00 33.24 N ATOM 778 CA LYS A 47 7.575 -4.214 -8.979 1.00 41.22 C ATOM 779 C LYS A 47 7.066 -4.042 -10.407 1.00 32.13 C ATOM 780 O LYS A 47 6.177 -3.230 -10.665 1.00 1.11 O ATOM 781 CB LYS A 47 8.690 -3.204 -8.699 1.00 41.43 C ATOM 782 CG LYS A 47 9.136 -2.433 -9.930 1.00 61.40 C ATOM 783 CD LYS A 47 8.200 -1.276 -10.233 1.00 10.52 C ATOM 784 CE LYS A 47 8.969 0.012 -10.485 1.00 4.11 C ATOM 785 NZ LYS A 47 10.056 -0.178 -11.486 1.00 13.23 N ATOM 0 H LYS A 47 9.072 -5.655 -8.703 1.00 33.24 H new ATOM 0 HA LYS A 47 6.748 -4.033 -8.293 1.00 41.22 H new ATOM 0 HB2 LYS A 47 8.347 -2.498 -7.943 1.00 41.43 H new ATOM 0 HB3 LYS A 47 9.548 -3.730 -8.279 1.00 41.43 H new ATOM 0 HG2 LYS A 47 10.146 -2.054 -9.777 1.00 61.40 H new ATOM 0 HG3 LYS A 47 9.174 -3.105 -10.787 1.00 61.40 H new ATOM 0 HD2 LYS A 47 7.594 -1.516 -11.107 1.00 10.52 H new ATOM 0 HD3 LYS A 47 7.514 -1.134 -9.398 1.00 10.52 H new ATOM 0 HE2 LYS A 47 8.282 0.782 -10.836 1.00 4.11 H new ATOM 0 HE3 LYS A 47 9.396 0.369 -9.548 1.00 4.11 H new ATOM 0 HZ1 LYS A 47 10.235 0.720 -11.979 1.00 13.23 H new ATOM 0 HZ2 LYS A 47 10.923 -0.486 -11.002 1.00 13.23 H new ATOM 0 HZ3 LYS A 47 9.769 -0.901 -12.177 1.00 13.23 H new ATOM 799 N ILE A 48 7.633 -4.812 -11.329 1.00 62.20 N ATOM 800 CA ILE A 48 7.234 -4.746 -12.729 1.00 60.33 C ATOM 801 C ILE A 48 5.997 -5.599 -12.989 1.00 72.10 C ATOM 802 O ILE A 48 5.174 -5.274 -13.846 1.00 61.33 O ATOM 803 CB ILE A 48 8.369 -5.211 -13.661 1.00 20.33 C ATOM 804 CG1 ILE A 48 9.528 -4.213 -13.626 1.00 51.11 C ATOM 805 CG2 ILE A 48 7.852 -5.382 -15.081 1.00 50.14 C ATOM 806 CD1 ILE A 48 10.885 -4.867 -13.483 1.00 54.44 C ATOM 0 H ILE A 48 8.370 -5.489 -11.132 1.00 62.20 H new ATOM 0 HA ILE A 48 7.004 -3.702 -12.942 1.00 60.33 H new ATOM 0 HB ILE A 48 8.735 -6.176 -13.310 1.00 20.33 H new ATOM 0 HG12 ILE A 48 9.514 -3.620 -14.541 1.00 51.11 H new ATOM 0 HG13 ILE A 48 9.377 -3.522 -12.796 1.00 51.11 H new ATOM 0 HG21 ILE A 48 8.666 -5.711 -15.727 1.00 50.14 H new ATOM 0 HG22 ILE A 48 7.057 -6.127 -15.091 1.00 50.14 H new ATOM 0 HG23 ILE A 48 7.463 -4.431 -15.443 1.00 50.14 H new ATOM 0 HD11 ILE A 48 11.659 -4.099 -13.465 1.00 54.44 H new ATOM 0 HD12 ILE A 48 10.918 -5.437 -12.555 1.00 54.44 H new ATOM 0 HD13 ILE A 48 11.057 -5.536 -14.326 1.00 54.44 H new ATOM 818 N LEU A 49 5.870 -6.691 -12.242 1.00 42.54 N ATOM 819 CA LEU A 49 4.732 -7.591 -12.390 1.00 14.52 C ATOM 820 C LEU A 49 3.423 -6.866 -12.091 1.00 32.42 C ATOM 821 O LEU A 49 2.349 -7.314 -12.490 1.00 53.45 O ATOM 822 CB LEU A 49 4.885 -8.795 -11.460 1.00 30.40 C ATOM 823 CG LEU A 49 6.217 -9.542 -11.543 1.00 73.23 C ATOM 824 CD1 LEU A 49 6.040 -10.996 -11.132 1.00 41.25 C ATOM 825 CD2 LEU A 49 6.793 -9.450 -12.949 1.00 2.55 C ATOM 0 H LEU A 49 6.541 -6.974 -11.528 1.00 42.54 H new ATOM 0 HA LEU A 49 4.706 -7.939 -13.423 1.00 14.52 H new ATOM 0 HB2 LEU A 49 4.745 -8.456 -10.434 1.00 30.40 H new ATOM 0 HB3 LEU A 49 4.082 -9.500 -11.676 1.00 30.40 H new ATOM 0 HG LEU A 49 6.918 -9.073 -10.853 1.00 73.23 H new ATOM 0 HD11 LEU A 49 6.998 -11.512 -11.197 1.00 41.25 H new ATOM 0 HD12 LEU A 49 5.672 -11.042 -10.107 1.00 41.25 H new ATOM 0 HD13 LEU A 49 5.323 -11.477 -11.797 1.00 41.25 H new ATOM 0 HD21 LEU A 49 7.741 -9.987 -12.990 1.00 2.55 H new ATOM 0 HD22 LEU A 49 6.094 -9.893 -13.658 1.00 2.55 H new ATOM 0 HD23 LEU A 49 6.957 -8.404 -13.207 1.00 2.55 H new ATOM 837 N GLY A 50 3.521 -5.743 -11.386 1.00 44.03 N ATOM 838 CA GLY A 50 2.338 -4.974 -11.048 1.00 4.44 C ATOM 839 C GLY A 50 2.277 -3.651 -11.785 1.00 14.51 C ATOM 840 O GLY A 50 1.194 -3.117 -12.030 1.00 23.24 O ATOM 0 H GLY A 50 4.399 -5.352 -11.043 1.00 44.03 H new ATOM 0 HA2 GLY A 50 1.449 -5.559 -11.283 1.00 4.44 H new ATOM 0 HA3 GLY A 50 2.323 -4.789 -9.974 1.00 4.44 H new ATOM 844 N LYS A 51 3.441 -3.117 -12.139 1.00 60.50 N ATOM 845 CA LYS A 51 3.517 -1.848 -12.852 1.00 74.04 C ATOM 846 C LYS A 51 2.852 -1.953 -14.221 1.00 54.31 C ATOM 847 O LYS A 51 2.240 -2.970 -14.550 1.00 53.40 O ATOM 848 CB LYS A 51 4.976 -1.416 -13.014 1.00 72.42 C ATOM 849 CG LYS A 51 5.311 -0.123 -12.293 1.00 1.35 C ATOM 850 CD LYS A 51 4.930 -0.189 -10.823 1.00 51.11 C ATOM 851 CE LYS A 51 5.540 0.961 -10.037 1.00 1.24 C ATOM 852 NZ LYS A 51 4.787 1.236 -8.782 1.00 13.50 N ATOM 0 H LYS A 51 4.346 -3.545 -11.943 1.00 60.50 H new ATOM 0 HA LYS A 51 2.986 -1.098 -12.265 1.00 74.04 H new ATOM 0 HB2 LYS A 51 5.624 -2.209 -12.641 1.00 72.42 H new ATOM 0 HB3 LYS A 51 5.195 -1.298 -14.075 1.00 72.42 H new ATOM 0 HG2 LYS A 51 6.378 0.080 -12.384 1.00 1.35 H new ATOM 0 HG3 LYS A 51 4.787 0.706 -12.769 1.00 1.35 H new ATOM 0 HD2 LYS A 51 3.845 -0.162 -10.726 1.00 51.11 H new ATOM 0 HD3 LYS A 51 5.264 -1.137 -10.402 1.00 51.11 H new ATOM 0 HE2 LYS A 51 6.576 0.726 -9.795 1.00 1.24 H new ATOM 0 HE3 LYS A 51 5.553 1.858 -10.657 1.00 1.24 H new ATOM 0 HZ1 LYS A 51 4.662 2.262 -8.670 1.00 13.50 H new ATOM 0 HZ2 LYS A 51 3.855 0.776 -8.828 1.00 13.50 H new ATOM 0 HZ3 LYS A 51 5.318 0.862 -7.970 1.00 13.50 H new ATOM 866 N THR A 52 2.976 -0.895 -15.017 1.00 64.22 N ATOM 867 CA THR A 52 2.388 -0.869 -16.350 1.00 40.53 C ATOM 868 C THR A 52 3.368 -0.304 -17.373 1.00 20.54 C ATOM 869 O THR A 52 4.519 -0.015 -17.049 1.00 11.12 O ATOM 870 CB THR A 52 1.096 -0.030 -16.378 1.00 22.05 C ATOM 871 OG1 THR A 52 1.417 1.360 -16.497 1.00 50.42 O ATOM 872 CG2 THR A 52 0.275 -0.260 -15.117 1.00 43.35 C ATOM 0 H THR A 52 3.479 -0.045 -14.761 1.00 64.22 H new ATOM 0 HA THR A 52 2.149 -1.900 -16.610 1.00 40.53 H new ATOM 0 HB THR A 52 0.505 -0.341 -17.240 1.00 22.05 H new ATOM 0 HG1 THR A 52 0.590 1.886 -16.516 1.00 50.42 H new ATOM 0 HG21 THR A 52 -0.632 0.342 -15.159 1.00 43.35 H new ATOM 0 HG22 THR A 52 0.008 -1.314 -15.044 1.00 43.35 H new ATOM 0 HG23 THR A 52 0.861 0.027 -14.244 1.00 43.35 H new ATOM 880 N ASN A 53 2.904 -0.150 -18.608 1.00 74.34 N ATOM 881 CA ASN A 53 3.740 0.380 -19.679 1.00 23.22 C ATOM 882 C ASN A 53 4.141 1.824 -19.391 1.00 63.54 C ATOM 883 O ASN A 53 5.090 2.345 -19.978 1.00 71.11 O ATOM 884 CB ASN A 53 3.003 0.300 -21.017 1.00 44.23 C ATOM 885 CG ASN A 53 2.972 -1.109 -21.577 1.00 43.22 C ATOM 886 OD1 ASN A 53 3.836 -1.495 -22.365 1.00 2.11 O ATOM 887 ND2 ASN A 53 1.973 -1.884 -21.172 1.00 65.40 N ATOM 0 H ASN A 53 1.953 -0.385 -18.893 1.00 74.34 H new ATOM 0 HA ASN A 53 4.645 -0.226 -19.734 1.00 23.22 H new ATOM 0 HB2 ASN A 53 1.982 0.659 -20.888 1.00 44.23 H new ATOM 0 HB3 ASN A 53 3.486 0.963 -21.735 1.00 44.23 H new ATOM 0 HD21 ASN A 53 1.899 -2.842 -21.515 1.00 65.40 H new ATOM 0 HD22 ASN A 53 1.279 -1.522 -20.518 1.00 65.40 H new ATOM 894 N LYS A 54 3.413 2.465 -18.484 1.00 74.30 N ATOM 895 CA LYS A 54 3.692 3.848 -18.116 1.00 31.42 C ATOM 896 C LYS A 54 5.003 3.951 -17.343 1.00 33.34 C ATOM 897 O LYS A 54 5.819 4.834 -17.603 1.00 70.13 O ATOM 898 CB LYS A 54 2.546 4.415 -17.275 1.00 73.33 C ATOM 899 CG LYS A 54 1.195 4.352 -17.967 1.00 60.52 C ATOM 900 CD LYS A 54 0.918 5.614 -18.766 1.00 0.11 C ATOM 901 CE LYS A 54 0.215 6.665 -17.921 1.00 2.32 C ATOM 902 NZ LYS A 54 1.181 7.480 -17.133 1.00 10.30 N ATOM 0 H LYS A 54 2.624 2.049 -17.989 1.00 74.30 H new ATOM 0 HA LYS A 54 3.784 4.430 -19.033 1.00 31.42 H new ATOM 0 HB2 LYS A 54 2.490 3.865 -16.335 1.00 73.33 H new ATOM 0 HB3 LYS A 54 2.769 5.452 -17.025 1.00 73.33 H new ATOM 0 HG2 LYS A 54 1.165 3.487 -18.629 1.00 60.52 H new ATOM 0 HG3 LYS A 54 0.411 4.212 -17.223 1.00 60.52 H new ATOM 0 HD2 LYS A 54 1.856 6.019 -19.146 1.00 0.11 H new ATOM 0 HD3 LYS A 54 0.302 5.370 -19.632 1.00 0.11 H new ATOM 0 HE2 LYS A 54 -0.370 7.319 -18.568 1.00 2.32 H new ATOM 0 HE3 LYS A 54 -0.486 6.177 -17.244 1.00 2.32 H new ATOM 0 HZ1 LYS A 54 0.747 8.393 -16.890 1.00 10.30 H new ATOM 0 HZ2 LYS A 54 1.432 6.973 -16.260 1.00 10.30 H new ATOM 0 HZ3 LYS A 54 2.039 7.643 -17.698 1.00 10.30 H new ATOM 916 N GLN A 55 5.197 3.042 -16.392 1.00 61.25 N ATOM 917 CA GLN A 55 6.410 3.031 -15.583 1.00 14.23 C ATOM 918 C GLN A 55 7.506 2.211 -16.254 1.00 73.34 C ATOM 919 O GLN A 55 8.692 2.514 -16.122 1.00 23.32 O ATOM 920 CB GLN A 55 6.114 2.468 -14.192 1.00 22.34 C ATOM 921 CG GLN A 55 7.026 3.017 -13.106 1.00 41.04 C ATOM 922 CD GLN A 55 6.953 4.527 -12.991 1.00 75.23 C ATOM 923 OE1 GLN A 55 7.969 5.217 -13.073 1.00 54.53 O ATOM 924 NE2 GLN A 55 5.746 5.048 -12.800 1.00 43.22 N ATOM 0 H GLN A 55 4.530 2.305 -16.163 1.00 61.25 H new ATOM 0 HA GLN A 55 6.760 4.058 -15.485 1.00 14.23 H new ATOM 0 HB2 GLN A 55 5.079 2.690 -13.932 1.00 22.34 H new ATOM 0 HB3 GLN A 55 6.210 1.383 -14.221 1.00 22.34 H new ATOM 0 HG2 GLN A 55 6.755 2.570 -12.149 1.00 41.04 H new ATOM 0 HG3 GLN A 55 8.054 2.722 -13.316 1.00 41.04 H new ATOM 0 HE21 GLN A 55 4.931 4.438 -12.738 1.00 43.22 H new ATOM 0 HE22 GLN A 55 5.634 6.058 -12.715 1.00 43.22 H new ATOM 933 N LEU A 56 7.102 1.171 -16.975 1.00 75.32 N ATOM 934 CA LEU A 56 8.050 0.305 -17.668 1.00 53.22 C ATOM 935 C LEU A 56 9.021 1.126 -18.510 1.00 43.01 C ATOM 936 O LEU A 56 8.610 1.913 -19.364 1.00 33.34 O ATOM 937 CB LEU A 56 7.305 -0.693 -18.556 1.00 54.34 C ATOM 938 CG LEU A 56 8.141 -1.393 -19.628 1.00 3.23 C ATOM 939 CD1 LEU A 56 7.625 -2.802 -19.872 1.00 32.10 C ATOM 940 CD2 LEU A 56 8.134 -0.589 -20.920 1.00 3.23 C ATOM 0 H LEU A 56 6.124 0.907 -17.095 1.00 75.32 H new ATOM 0 HA LEU A 56 8.621 -0.242 -16.918 1.00 53.22 H new ATOM 0 HB2 LEU A 56 6.859 -1.455 -17.917 1.00 54.34 H new ATOM 0 HB3 LEU A 56 6.485 -0.170 -19.048 1.00 54.34 H new ATOM 0 HG LEU A 56 9.169 -1.461 -19.272 1.00 3.23 H new ATOM 0 HD11 LEU A 56 8.232 -3.284 -20.638 1.00 32.10 H new ATOM 0 HD12 LEU A 56 7.684 -3.376 -18.947 1.00 32.10 H new ATOM 0 HD13 LEU A 56 6.588 -2.757 -20.206 1.00 32.10 H new ATOM 0 HD21 LEU A 56 8.734 -1.102 -21.671 1.00 3.23 H new ATOM 0 HD22 LEU A 56 7.110 -0.488 -21.280 1.00 3.23 H new ATOM 0 HD23 LEU A 56 8.553 0.400 -20.735 1.00 3.23 H new ATOM 952 N THR A 57 10.314 0.936 -18.266 1.00 4.21 N ATOM 953 CA THR A 57 11.345 1.658 -19.002 1.00 30.43 C ATOM 954 C THR A 57 12.261 0.696 -19.751 1.00 14.22 C ATOM 955 O THR A 57 12.011 -0.509 -19.791 1.00 44.32 O ATOM 956 CB THR A 57 12.196 2.533 -18.063 1.00 45.32 C ATOM 957 OG1 THR A 57 11.667 2.485 -16.734 1.00 20.14 O ATOM 958 CG2 THR A 57 12.229 3.974 -18.549 1.00 41.43 C ATOM 0 H THR A 57 10.672 0.288 -17.564 1.00 4.21 H new ATOM 0 HA THR A 57 10.832 2.299 -19.719 1.00 30.43 H new ATOM 0 HB THR A 57 13.214 2.142 -18.062 1.00 45.32 H new ATOM 0 HG1 THR A 57 12.215 3.043 -16.143 1.00 20.14 H new ATOM 0 HG21 THR A 57 12.836 4.573 -17.870 1.00 41.43 H new ATOM 0 HG22 THR A 57 12.660 4.011 -19.549 1.00 41.43 H new ATOM 0 HG23 THR A 57 11.215 4.372 -18.576 1.00 41.43 H new ATOM 966 N ARG A 58 13.321 1.236 -20.342 1.00 42.22 N ATOM 967 CA ARG A 58 14.274 0.425 -21.091 1.00 1.44 C ATOM 968 C ARG A 58 14.810 -0.715 -20.231 1.00 24.52 C ATOM 969 O ARG A 58 14.811 -1.873 -20.648 1.00 71.43 O ATOM 970 CB ARG A 58 15.433 1.291 -21.588 1.00 52.34 C ATOM 971 CG ARG A 58 15.023 2.312 -22.637 1.00 43.15 C ATOM 972 CD ARG A 58 16.224 3.082 -23.164 1.00 2.32 C ATOM 973 NE ARG A 58 16.717 4.057 -22.194 1.00 40.14 N ATOM 974 CZ ARG A 58 16.128 5.225 -21.963 1.00 4.24 C ATOM 975 NH1 ARG A 58 15.031 5.562 -22.627 1.00 23.24 N ATOM 976 NH2 ARG A 58 16.637 6.059 -21.065 1.00 0.14 N ATOM 0 H ARG A 58 13.542 2.231 -20.317 1.00 42.22 H new ATOM 0 HA ARG A 58 13.755 -0.002 -21.949 1.00 1.44 H new ATOM 0 HB2 ARG A 58 15.876 1.812 -20.739 1.00 52.34 H new ATOM 0 HB3 ARG A 58 16.206 0.645 -22.004 1.00 52.34 H new ATOM 0 HG2 ARG A 58 14.523 1.806 -23.463 1.00 43.15 H new ATOM 0 HG3 ARG A 58 14.303 3.008 -22.207 1.00 43.15 H new ATOM 0 HD2 ARG A 58 17.022 2.383 -23.413 1.00 2.32 H new ATOM 0 HD3 ARG A 58 15.950 3.595 -24.086 1.00 2.32 H new ATOM 0 HE ARG A 58 17.559 3.828 -21.666 1.00 40.14 H new ATOM 0 HH11 ARG A 58 14.637 4.924 -23.318 1.00 23.24 H new ATOM 0 HH12 ARG A 58 14.581 6.460 -22.447 1.00 23.24 H new ATOM 0 HH21 ARG A 58 17.481 5.803 -20.552 1.00 0.14 H new ATOM 0 HH22 ARG A 58 16.185 6.956 -20.888 1.00 0.14 H new ATOM 990 N SER A 59 15.267 -0.379 -19.028 1.00 73.55 N ATOM 991 CA SER A 59 15.810 -1.375 -18.111 1.00 51.35 C ATOM 992 C SER A 59 14.758 -2.424 -17.763 1.00 42.40 C ATOM 993 O SER A 59 15.088 -3.560 -17.423 1.00 71.11 O ATOM 994 CB SER A 59 16.316 -0.700 -16.835 1.00 64.31 C ATOM 995 OG SER A 59 17.617 -0.169 -17.020 1.00 61.35 O ATOM 0 H SER A 59 15.272 0.575 -18.666 1.00 73.55 H new ATOM 0 HA SER A 59 16.644 -1.873 -18.606 1.00 51.35 H new ATOM 0 HB2 SER A 59 15.632 0.098 -16.546 1.00 64.31 H new ATOM 0 HB3 SER A 59 16.327 -1.422 -16.018 1.00 64.31 H new ATOM 0 HG SER A 59 17.917 0.258 -16.191 1.00 61.35 H new ATOM 1001 N ASP A 60 13.491 -2.033 -17.850 1.00 64.52 N ATOM 1002 CA ASP A 60 12.390 -2.939 -17.545 1.00 72.25 C ATOM 1003 C ASP A 60 12.189 -3.949 -18.671 1.00 52.45 C ATOM 1004 O ASP A 60 11.794 -5.090 -18.432 1.00 41.21 O ATOM 1005 CB ASP A 60 11.100 -2.149 -17.316 1.00 25.11 C ATOM 1006 CG ASP A 60 9.940 -3.039 -16.916 1.00 53.34 C ATOM 1007 OD1 ASP A 60 10.174 -4.236 -16.651 1.00 4.25 O ATOM 1008 OD2 ASP A 60 8.796 -2.538 -16.870 1.00 43.15 O ATOM 0 H ASP A 60 13.201 -1.096 -18.129 1.00 64.52 H new ATOM 0 HA ASP A 60 12.641 -3.483 -16.634 1.00 72.25 H new ATOM 0 HB2 ASP A 60 11.267 -1.403 -16.539 1.00 25.11 H new ATOM 0 HB3 ASP A 60 10.842 -1.608 -18.226 1.00 25.11 H new ATOM 1013 N ARG A 61 12.462 -3.520 -19.899 1.00 40.24 N ATOM 1014 CA ARG A 61 12.309 -4.385 -21.063 1.00 30.35 C ATOM 1015 C ARG A 61 13.445 -5.401 -21.137 1.00 71.44 C ATOM 1016 O ARG A 61 13.233 -6.558 -21.501 1.00 54.40 O ATOM 1017 CB ARG A 61 12.271 -3.551 -22.344 1.00 45.02 C ATOM 1018 CG ARG A 61 11.019 -3.770 -23.177 1.00 12.41 C ATOM 1019 CD ARG A 61 10.348 -2.452 -23.530 1.00 52.44 C ATOM 1020 NE ARG A 61 9.344 -2.612 -24.579 1.00 30.41 N ATOM 1021 CZ ARG A 61 9.642 -2.861 -25.849 1.00 54.34 C ATOM 1022 NH1 ARG A 61 10.907 -2.977 -26.227 1.00 4.42 N ATOM 1023 NH2 ARG A 61 8.672 -2.994 -26.745 1.00 61.34 N ATOM 0 H ARG A 61 12.790 -2.578 -20.114 1.00 40.24 H new ATOM 0 HA ARG A 61 11.367 -4.925 -20.962 1.00 30.35 H new ATOM 0 HB2 ARG A 61 12.343 -2.495 -22.082 1.00 45.02 H new ATOM 0 HB3 ARG A 61 13.146 -3.790 -22.949 1.00 45.02 H new ATOM 0 HG2 ARG A 61 11.278 -4.304 -24.091 1.00 12.41 H new ATOM 0 HG3 ARG A 61 10.320 -4.400 -22.627 1.00 12.41 H new ATOM 0 HD2 ARG A 61 9.878 -2.035 -22.639 1.00 52.44 H new ATOM 0 HD3 ARG A 61 11.103 -1.737 -23.857 1.00 52.44 H new ATOM 0 HE ARG A 61 8.360 -2.528 -24.322 1.00 30.41 H new ATOM 0 HH11 ARG A 61 11.655 -2.875 -25.542 1.00 4.42 H new ATOM 0 HH12 ARG A 61 11.132 -3.168 -27.203 1.00 4.42 H new ATOM 0 HH21 ARG A 61 7.697 -2.905 -26.458 1.00 61.34 H new ATOM 0 HH22 ARG A 61 8.901 -3.185 -27.720 1.00 61.34 H new ATOM 1037 N GLU A 62 14.650 -4.960 -20.791 1.00 63.52 N ATOM 1038 CA GLU A 62 15.819 -5.832 -20.821 1.00 2.31 C ATOM 1039 C GLU A 62 15.738 -6.889 -19.723 1.00 41.51 C ATOM 1040 O GLU A 62 16.116 -8.042 -19.927 1.00 64.11 O ATOM 1041 CB GLU A 62 17.100 -5.010 -20.659 1.00 53.21 C ATOM 1042 CG GLU A 62 17.491 -4.772 -19.210 1.00 44.04 C ATOM 1043 CD GLU A 62 18.249 -5.941 -18.612 1.00 4.14 C ATOM 1044 OE1 GLU A 62 18.507 -6.918 -19.345 1.00 72.41 O ATOM 1045 OE2 GLU A 62 18.585 -5.878 -17.410 1.00 72.55 O ATOM 0 H GLU A 62 14.843 -4.006 -20.487 1.00 63.52 H new ATOM 0 HA GLU A 62 15.839 -6.337 -21.787 1.00 2.31 H new ATOM 0 HB2 GLU A 62 17.917 -5.522 -21.168 1.00 53.21 H new ATOM 0 HB3 GLU A 62 16.969 -4.048 -21.154 1.00 53.21 H new ATOM 0 HG2 GLU A 62 18.106 -3.874 -19.146 1.00 44.04 H new ATOM 0 HG3 GLU A 62 16.593 -4.586 -18.621 1.00 44.04 H new ATOM 1052 N VAL A 63 15.242 -6.486 -18.557 1.00 43.44 N ATOM 1053 CA VAL A 63 15.111 -7.397 -17.427 1.00 15.33 C ATOM 1054 C VAL A 63 14.002 -8.416 -17.668 1.00 44.52 C ATOM 1055 O VAL A 63 14.144 -9.593 -17.336 1.00 75.31 O ATOM 1056 CB VAL A 63 14.815 -6.633 -16.122 1.00 64.20 C ATOM 1057 CG1 VAL A 63 15.980 -5.723 -15.761 1.00 33.44 C ATOM 1058 CG2 VAL A 63 13.526 -5.837 -16.251 1.00 51.44 C ATOM 0 H VAL A 63 14.925 -5.535 -18.371 1.00 43.44 H new ATOM 0 HA VAL A 63 16.064 -7.917 -17.328 1.00 15.33 H new ATOM 0 HB VAL A 63 14.688 -7.358 -15.318 1.00 64.20 H new ATOM 0 HG11 VAL A 63 15.754 -5.191 -14.837 1.00 33.44 H new ATOM 0 HG12 VAL A 63 16.880 -6.322 -15.624 1.00 33.44 H new ATOM 0 HG13 VAL A 63 16.142 -5.003 -16.563 1.00 33.44 H new ATOM 0 HG21 VAL A 63 13.333 -5.304 -15.320 1.00 51.44 H new ATOM 0 HG22 VAL A 63 13.621 -5.120 -17.067 1.00 51.44 H new ATOM 0 HG23 VAL A 63 12.699 -6.515 -16.459 1.00 51.44 H new ATOM 1068 N LEU A 64 12.900 -7.955 -18.249 1.00 33.43 N ATOM 1069 CA LEU A 64 11.766 -8.827 -18.536 1.00 54.11 C ATOM 1070 C LEU A 64 12.150 -9.906 -19.543 1.00 73.04 C ATOM 1071 O LEU A 64 11.782 -11.071 -19.390 1.00 63.14 O ATOM 1072 CB LEU A 64 10.591 -8.007 -19.072 1.00 75.54 C ATOM 1073 CG LEU A 64 9.335 -7.985 -18.200 1.00 53.43 C ATOM 1074 CD1 LEU A 64 9.707 -7.843 -16.733 1.00 14.35 C ATOM 1075 CD2 LEU A 64 8.408 -6.856 -18.629 1.00 61.21 C ATOM 0 H LEU A 64 12.767 -6.984 -18.530 1.00 33.43 H new ATOM 0 HA LEU A 64 11.468 -9.313 -17.607 1.00 54.11 H new ATOM 0 HB2 LEU A 64 10.927 -6.980 -19.217 1.00 75.54 H new ATOM 0 HB3 LEU A 64 10.321 -8.395 -20.054 1.00 75.54 H new ATOM 0 HG LEU A 64 8.808 -8.930 -18.330 1.00 53.43 H new ATOM 0 HD11 LEU A 64 8.801 -7.829 -16.128 1.00 14.35 H new ATOM 0 HD12 LEU A 64 10.331 -8.685 -16.433 1.00 14.35 H new ATOM 0 HD13 LEU A 64 10.256 -6.913 -16.585 1.00 14.35 H new ATOM 0 HD21 LEU A 64 7.519 -6.855 -17.998 1.00 61.21 H new ATOM 0 HD22 LEU A 64 8.926 -5.902 -18.528 1.00 61.21 H new ATOM 0 HD23 LEU A 64 8.114 -7.001 -19.669 1.00 61.21 H new ATOM 1087 N ASP A 65 12.892 -9.511 -20.572 1.00 2.25 N ATOM 1088 CA ASP A 65 13.329 -10.445 -21.603 1.00 3.33 C ATOM 1089 C ASP A 65 14.287 -11.483 -21.025 1.00 54.43 C ATOM 1090 O ASP A 65 14.252 -12.652 -21.405 1.00 64.14 O ATOM 1091 CB ASP A 65 14.005 -9.692 -22.750 1.00 2.44 C ATOM 1092 CG ASP A 65 13.405 -10.033 -24.099 1.00 42.14 C ATOM 1093 OD1 ASP A 65 12.998 -11.198 -24.291 1.00 21.14 O ATOM 1094 OD2 ASP A 65 13.342 -9.135 -24.964 1.00 50.52 O ATOM 0 H ASP A 65 13.203 -8.550 -20.714 1.00 2.25 H new ATOM 0 HA ASP A 65 12.450 -10.962 -21.987 1.00 3.33 H new ATOM 0 HB2 ASP A 65 13.918 -8.619 -22.578 1.00 2.44 H new ATOM 0 HB3 ASP A 65 15.069 -9.928 -22.759 1.00 2.44 H new ATOM 1099 N ASN A 66 15.141 -11.045 -20.106 1.00 32.55 N ATOM 1100 CA ASN A 66 16.109 -11.937 -19.477 1.00 0.42 C ATOM 1101 C ASN A 66 15.428 -12.854 -18.466 1.00 12.34 C ATOM 1102 O ASN A 66 15.734 -14.043 -18.387 1.00 72.40 O ATOM 1103 CB ASN A 66 17.207 -11.125 -18.787 1.00 4.10 C ATOM 1104 CG ASN A 66 18.325 -12.000 -18.254 1.00 61.41 C ATOM 1105 OD1 ASN A 66 18.562 -13.099 -18.757 1.00 35.01 O ATOM 1106 ND2 ASN A 66 19.019 -11.516 -17.230 1.00 72.35 N ATOM 0 H ASN A 66 15.183 -10.079 -19.780 1.00 32.55 H new ATOM 0 HA ASN A 66 16.557 -12.554 -20.256 1.00 0.42 H new ATOM 0 HB2 ASN A 66 17.619 -10.403 -19.492 1.00 4.10 H new ATOM 0 HB3 ASN A 66 16.772 -10.555 -17.966 1.00 4.10 H new ATOM 0 HD21 ASN A 66 19.783 -12.060 -16.829 1.00 72.35 H new ATOM 0 HD22 ASN A 66 18.788 -10.600 -16.845 1.00 72.35 H new ATOM 1113 N TRP A 67 14.503 -12.292 -17.695 1.00 64.01 N ATOM 1114 CA TRP A 67 13.778 -13.059 -16.689 1.00 70.40 C ATOM 1115 C TRP A 67 13.064 -14.249 -17.322 1.00 12.42 C ATOM 1116 O TRP A 67 13.212 -15.385 -16.871 1.00 53.32 O ATOM 1117 CB TRP A 67 12.767 -12.166 -15.968 1.00 21.53 C ATOM 1118 CG TRP A 67 12.760 -12.358 -14.481 1.00 40.32 C ATOM 1119 CD1 TRP A 67 13.840 -12.600 -13.681 1.00 11.31 C ATOM 1120 CD2 TRP A 67 11.618 -12.325 -13.618 1.00 50.24 C ATOM 1121 NE1 TRP A 67 13.438 -12.719 -12.372 1.00 72.24 N ATOM 1122 CE2 TRP A 67 12.080 -12.554 -12.307 1.00 54.24 C ATOM 1123 CE3 TRP A 67 10.251 -12.122 -13.825 1.00 71.22 C ATOM 1124 CZ2 TRP A 67 11.221 -12.586 -11.211 1.00 65.54 C ATOM 1125 CZ3 TRP A 67 9.400 -12.155 -12.736 1.00 65.35 C ATOM 1126 CH2 TRP A 67 9.888 -12.385 -11.443 1.00 71.10 C ATOM 0 H TRP A 67 14.238 -11.308 -17.748 1.00 64.01 H new ATOM 0 HA TRP A 67 14.500 -13.436 -15.965 1.00 70.40 H new ATOM 0 HB2 TRP A 67 12.990 -11.123 -16.192 1.00 21.53 H new ATOM 0 HB3 TRP A 67 11.770 -12.369 -16.358 1.00 21.53 H new ATOM 0 HD1 TRP A 67 14.860 -12.685 -14.026 1.00 11.31 H new ATOM 0 HE1 TRP A 67 14.052 -12.901 -11.578 1.00 72.24 H new ATOM 0 HE3 TRP A 67 9.866 -11.943 -14.818 1.00 71.22 H new ATOM 0 HZ2 TRP A 67 11.594 -12.763 -10.213 1.00 65.54 H new ATOM 0 HZ3 TRP A 67 8.341 -12.001 -12.884 1.00 65.35 H new ATOM 0 HH2 TRP A 67 9.198 -12.404 -10.613 1.00 71.10 H new ATOM 1137 N ARG A 68 12.290 -13.980 -18.368 1.00 73.12 N ATOM 1138 CA ARG A 68 11.552 -15.029 -19.062 1.00 11.11 C ATOM 1139 C ARG A 68 12.496 -15.912 -19.874 1.00 15.44 C ATOM 1140 O ARG A 68 12.171 -17.055 -20.191 1.00 20.31 O ATOM 1141 CB ARG A 68 10.494 -14.415 -19.981 1.00 33.45 C ATOM 1142 CG ARG A 68 10.098 -15.315 -21.140 1.00 62.01 C ATOM 1143 CD ARG A 68 11.004 -15.103 -22.343 1.00 73.33 C ATOM 1144 NE ARG A 68 10.249 -14.735 -23.538 1.00 40.41 N ATOM 1145 CZ ARG A 68 9.860 -13.493 -23.808 1.00 32.55 C ATOM 1146 NH1 ARG A 68 10.153 -12.507 -22.972 1.00 1.04 N ATOM 1147 NH2 ARG A 68 9.176 -13.237 -24.916 1.00 23.05 N ATOM 0 H ARG A 68 12.157 -13.045 -18.754 1.00 73.12 H new ATOM 0 HA ARG A 68 11.058 -15.648 -18.313 1.00 11.11 H new ATOM 0 HB2 ARG A 68 9.606 -14.181 -19.394 1.00 33.45 H new ATOM 0 HB3 ARG A 68 10.872 -13.472 -20.377 1.00 33.45 H new ATOM 0 HG2 ARG A 68 10.146 -16.358 -20.826 1.00 62.01 H new ATOM 0 HG3 ARG A 68 9.064 -15.114 -21.421 1.00 62.01 H new ATOM 0 HD2 ARG A 68 11.729 -14.321 -22.117 1.00 73.33 H new ATOM 0 HD3 ARG A 68 11.568 -16.015 -22.537 1.00 73.33 H new ATOM 0 HE ARG A 68 10.007 -15.471 -24.201 1.00 40.41 H new ATOM 0 HH11 ARG A 68 10.678 -12.700 -22.119 1.00 1.04 H new ATOM 0 HH12 ARG A 68 9.853 -11.555 -23.181 1.00 1.04 H new ATOM 0 HH21 ARG A 68 8.948 -13.994 -25.561 1.00 23.05 H new ATOM 0 HH22 ARG A 68 8.878 -12.284 -25.122 1.00 23.05 H new ATOM 1161 N GLU A 69 13.664 -15.371 -20.206 1.00 73.21 N ATOM 1162 CA GLU A 69 14.653 -16.110 -20.982 1.00 1.20 C ATOM 1163 C GLU A 69 15.225 -17.269 -20.171 1.00 63.02 C ATOM 1164 O GLU A 69 15.347 -18.389 -20.669 1.00 20.32 O ATOM 1165 CB GLU A 69 15.782 -15.179 -21.428 1.00 44.24 C ATOM 1166 CG GLU A 69 16.972 -15.909 -22.027 1.00 64.35 C ATOM 1167 CD GLU A 69 16.609 -16.693 -23.274 1.00 11.31 C ATOM 1168 OE1 GLU A 69 15.525 -16.436 -23.840 1.00 24.51 O ATOM 1169 OE2 GLU A 69 17.407 -17.561 -23.683 1.00 70.41 O ATOM 0 H GLU A 69 13.948 -14.425 -19.950 1.00 73.21 H new ATOM 0 HA GLU A 69 14.157 -16.516 -21.863 1.00 1.20 H new ATOM 0 HB2 GLU A 69 15.392 -14.474 -22.162 1.00 44.24 H new ATOM 0 HB3 GLU A 69 16.119 -14.594 -20.572 1.00 44.24 H new ATOM 0 HG2 GLU A 69 17.751 -15.187 -22.271 1.00 64.35 H new ATOM 0 HG3 GLU A 69 17.388 -16.589 -21.283 1.00 64.35 H new ATOM 1176 N LEU A 70 15.576 -16.992 -18.920 1.00 53.11 N ATOM 1177 CA LEU A 70 16.136 -18.011 -18.039 1.00 10.40 C ATOM 1178 C LEU A 70 15.048 -18.953 -17.535 1.00 14.34 C ATOM 1179 O LEU A 70 15.290 -20.141 -17.328 1.00 73.30 O ATOM 1180 CB LEU A 70 16.847 -17.354 -16.855 1.00 12.45 C ATOM 1181 CG LEU A 70 16.049 -16.291 -16.098 1.00 74.10 C ATOM 1182 CD1 LEU A 70 15.126 -16.942 -15.079 1.00 50.40 C ATOM 1183 CD2 LEU A 70 16.986 -15.304 -15.418 1.00 12.21 C ATOM 0 H LEU A 70 15.483 -16.070 -18.493 1.00 53.11 H new ATOM 0 HA LEU A 70 16.858 -18.594 -18.611 1.00 10.40 H new ATOM 0 HB2 LEU A 70 17.134 -18.135 -16.150 1.00 12.45 H new ATOM 0 HB3 LEU A 70 17.768 -16.898 -17.218 1.00 12.45 H new ATOM 0 HG LEU A 70 15.437 -15.744 -16.815 1.00 74.10 H new ATOM 0 HD11 LEU A 70 14.566 -16.171 -14.550 1.00 50.40 H new ATOM 0 HD12 LEU A 70 14.431 -17.608 -15.591 1.00 50.40 H new ATOM 0 HD13 LEU A 70 15.718 -17.515 -14.365 1.00 50.40 H new ATOM 0 HD21 LEU A 70 16.401 -14.555 -14.884 1.00 12.21 H new ATOM 0 HD22 LEU A 70 17.625 -15.836 -14.713 1.00 12.21 H new ATOM 0 HD23 LEU A 70 17.605 -14.813 -16.169 1.00 12.21 H new ATOM 1195 N GLU A 71 13.848 -18.413 -17.341 1.00 22.24 N ATOM 1196 CA GLU A 71 12.723 -19.207 -16.862 1.00 34.02 C ATOM 1197 C GLU A 71 12.233 -20.165 -17.944 1.00 52.32 C ATOM 1198 O GLU A 71 11.683 -21.225 -17.647 1.00 53.31 O ATOM 1199 CB GLU A 71 11.578 -18.294 -16.418 1.00 1.25 C ATOM 1200 CG GLU A 71 10.294 -19.040 -16.096 1.00 1.34 C ATOM 1201 CD GLU A 71 10.529 -20.256 -15.221 1.00 5.32 C ATOM 1202 OE1 GLU A 71 11.427 -20.199 -14.355 1.00 21.43 O ATOM 1203 OE2 GLU A 71 9.815 -21.264 -15.403 1.00 10.23 O ATOM 0 H GLU A 71 13.631 -17.430 -17.508 1.00 22.24 H new ATOM 0 HA GLU A 71 13.063 -19.793 -16.008 1.00 34.02 H new ATOM 0 HB2 GLU A 71 11.892 -17.733 -15.538 1.00 1.25 H new ATOM 0 HB3 GLU A 71 11.378 -17.567 -17.205 1.00 1.25 H new ATOM 0 HG2 GLU A 71 9.602 -18.364 -15.594 1.00 1.34 H new ATOM 0 HG3 GLU A 71 9.817 -19.352 -17.025 1.00 1.34 H new ATOM 1210 N MET A 72 12.437 -19.782 -19.201 1.00 34.44 N ATOM 1211 CA MET A 72 12.017 -20.607 -20.328 1.00 35.04 C ATOM 1212 C MET A 72 13.118 -21.584 -20.726 1.00 73.44 C ATOM 1213 O MET A 72 12.851 -22.621 -21.334 1.00 65.44 O ATOM 1214 CB MET A 72 11.644 -19.726 -21.521 1.00 41.53 C ATOM 1215 CG MET A 72 12.847 -19.147 -22.249 1.00 21.53 C ATOM 1216 SD MET A 72 12.404 -18.367 -23.812 1.00 41.34 S ATOM 1217 CE MET A 72 12.320 -19.794 -24.892 1.00 10.25 C ATOM 0 H MET A 72 12.890 -18.907 -19.464 1.00 34.44 H new ATOM 0 HA MET A 72 11.142 -21.180 -20.021 1.00 35.04 H new ATOM 0 HB2 MET A 72 11.052 -20.312 -22.224 1.00 41.53 H new ATOM 0 HB3 MET A 72 11.011 -18.909 -21.175 1.00 41.53 H new ATOM 0 HG2 MET A 72 13.337 -18.414 -21.608 1.00 21.53 H new ATOM 0 HG3 MET A 72 13.570 -19.941 -22.436 1.00 21.53 H new ATOM 0 HE1 MET A 72 12.055 -19.473 -25.899 1.00 10.25 H new ATOM 0 HE2 MET A 72 13.289 -20.292 -24.913 1.00 10.25 H new ATOM 0 HE3 MET A 72 11.564 -20.487 -24.522 1.00 10.25 H new ATOM 1227 N LYS A 73 14.356 -21.247 -20.381 1.00 35.22 N ATOM 1228 CA LYS A 73 15.498 -22.095 -20.701 1.00 53.15 C ATOM 1229 C LYS A 73 15.710 -23.153 -19.623 1.00 41.51 C ATOM 1230 O LYS A 73 16.469 -24.102 -19.813 1.00 24.10 O ATOM 1231 CB LYS A 73 16.762 -21.246 -20.854 1.00 71.13 C ATOM 1232 CG LYS A 73 17.544 -21.082 -19.563 1.00 25.42 C ATOM 1233 CD LYS A 73 18.858 -20.354 -19.795 1.00 33.10 C ATOM 1234 CE LYS A 73 18.632 -18.980 -20.407 1.00 3.13 C ATOM 1235 NZ LYS A 73 19.267 -17.902 -19.598 1.00 72.15 N ATOM 0 H LYS A 73 14.594 -20.392 -19.879 1.00 35.22 H new ATOM 0 HA LYS A 73 15.291 -22.600 -21.644 1.00 53.15 H new ATOM 0 HB2 LYS A 73 17.407 -21.702 -21.604 1.00 71.13 H new ATOM 0 HB3 LYS A 73 16.485 -20.261 -21.229 1.00 71.13 H new ATOM 0 HG2 LYS A 73 16.943 -20.529 -18.841 1.00 25.42 H new ATOM 0 HG3 LYS A 73 17.742 -22.062 -19.129 1.00 25.42 H new ATOM 0 HD2 LYS A 73 19.389 -20.249 -18.849 1.00 33.10 H new ATOM 0 HD3 LYS A 73 19.493 -20.947 -20.453 1.00 33.10 H new ATOM 0 HE2 LYS A 73 19.037 -18.962 -21.419 1.00 3.13 H new ATOM 0 HE3 LYS A 73 17.562 -18.790 -20.489 1.00 3.13 H new ATOM 0 HZ1 LYS A 73 18.965 -16.974 -19.958 1.00 72.15 H new ATOM 0 HZ2 LYS A 73 18.978 -17.998 -18.604 1.00 72.15 H new ATOM 0 HZ3 LYS A 73 20.302 -17.980 -19.667 1.00 72.15 H new ATOM 1249 N ALA A 74 15.033 -22.982 -18.492 1.00 64.10 N ATOM 1250 CA ALA A 74 15.146 -23.924 -17.385 1.00 53.03 C ATOM 1251 C ALA A 74 14.459 -25.245 -17.717 1.00 11.45 C ATOM 1252 O ALA A 74 14.476 -26.181 -16.918 1.00 31.32 O ATOM 1253 CB ALA A 74 14.555 -23.323 -16.119 1.00 10.24 C ATOM 0 H ALA A 74 14.401 -22.200 -18.318 1.00 64.10 H new ATOM 0 HA ALA A 74 16.204 -24.126 -17.218 1.00 53.03 H new ATOM 0 HB1 ALA A 74 14.646 -24.037 -15.300 1.00 10.24 H new ATOM 0 HB2 ALA A 74 15.092 -22.409 -15.865 1.00 10.24 H new ATOM 0 HB3 ALA A 74 13.503 -23.091 -16.283 1.00 10.24 H new ATOM 1259 N ARG A 75 13.855 -25.312 -18.898 1.00 53.14 N ATOM 1260 CA ARG A 75 13.160 -26.518 -19.334 1.00 3.42 C ATOM 1261 C ARG A 75 12.257 -27.054 -18.228 1.00 34.15 C ATOM 1262 O ARG A 75 12.238 -28.254 -17.953 1.00 24.13 O ATOM 1263 CB ARG A 75 14.168 -27.591 -19.749 1.00 5.32 C ATOM 1264 CG ARG A 75 15.104 -27.149 -20.862 1.00 64.20 C ATOM 1265 CD ARG A 75 16.334 -28.041 -20.943 1.00 13.22 C ATOM 1266 NE ARG A 75 16.083 -29.250 -21.722 1.00 55.03 N ATOM 1267 CZ ARG A 75 16.832 -30.344 -21.643 1.00 74.13 C ATOM 1268 NH1 ARG A 75 17.873 -30.381 -20.824 1.00 1.35 N ATOM 1269 NH2 ARG A 75 16.539 -31.405 -22.385 1.00 2.11 N ATOM 0 H ARG A 75 13.832 -24.546 -19.571 1.00 53.14 H new ATOM 0 HA ARG A 75 12.540 -26.260 -20.193 1.00 3.42 H new ATOM 0 HB2 ARG A 75 14.760 -27.877 -18.880 1.00 5.32 H new ATOM 0 HB3 ARG A 75 13.627 -28.480 -20.072 1.00 5.32 H new ATOM 0 HG2 ARG A 75 14.574 -27.171 -21.814 1.00 64.20 H new ATOM 0 HG3 ARG A 75 15.412 -26.117 -20.692 1.00 64.20 H new ATOM 0 HD2 ARG A 75 17.156 -27.484 -21.392 1.00 13.22 H new ATOM 0 HD3 ARG A 75 16.648 -28.317 -19.937 1.00 13.22 H new ATOM 0 HE ARG A 75 15.289 -29.255 -22.362 1.00 55.03 H new ATOM 0 HH11 ARG A 75 18.101 -29.568 -20.252 1.00 1.35 H new ATOM 0 HH12 ARG A 75 18.446 -31.223 -20.766 1.00 1.35 H new ATOM 0 HH21 ARG A 75 15.738 -31.380 -23.016 1.00 2.11 H new ATOM 0 HH22 ARG A 75 17.115 -32.245 -22.324 1.00 2.11 H new ATOM 1283 N LYS A 76 11.508 -26.157 -17.595 1.00 50.21 N ATOM 1284 CA LYS A 76 10.601 -26.538 -16.519 1.00 71.31 C ATOM 1285 C LYS A 76 9.851 -25.323 -15.983 1.00 41.01 C ATOM 1286 O LYS A 76 10.462 -24.336 -15.572 1.00 62.43 O ATOM 1287 CB LYS A 76 11.377 -27.213 -15.386 1.00 13.05 C ATOM 1288 CG LYS A 76 10.629 -28.366 -14.739 1.00 14.23 C ATOM 1289 CD LYS A 76 10.619 -29.595 -15.632 1.00 31.24 C ATOM 1290 CE LYS A 76 9.459 -30.520 -15.294 1.00 43.13 C ATOM 1291 NZ LYS A 76 9.695 -31.906 -15.784 1.00 30.41 N ATOM 0 H LYS A 76 11.512 -25.160 -17.809 1.00 50.21 H new ATOM 0 HA LYS A 76 9.873 -27.242 -16.923 1.00 71.31 H new ATOM 0 HB2 LYS A 76 12.327 -27.580 -15.776 1.00 13.05 H new ATOM 0 HB3 LYS A 76 11.611 -26.470 -14.624 1.00 13.05 H new ATOM 0 HG2 LYS A 76 11.094 -28.613 -13.784 1.00 14.23 H new ATOM 0 HG3 LYS A 76 9.604 -28.062 -14.525 1.00 14.23 H new ATOM 0 HD2 LYS A 76 10.548 -29.287 -16.675 1.00 31.24 H new ATOM 0 HD3 LYS A 76 11.560 -30.134 -15.521 1.00 31.24 H new ATOM 0 HE2 LYS A 76 9.310 -30.537 -14.214 1.00 43.13 H new ATOM 0 HE3 LYS A 76 8.542 -30.130 -15.736 1.00 43.13 H new ATOM 0 HZ1 LYS A 76 8.883 -32.505 -15.534 1.00 30.41 H new ATOM 0 HZ2 LYS A 76 9.812 -31.894 -16.817 1.00 30.41 H new ATOM 0 HZ3 LYS A 76 10.556 -32.288 -15.343 1.00 30.41 H new ATOM 1305 N ARG A 77 8.524 -25.402 -15.989 1.00 4.11 N ATOM 1306 CA ARG A 77 7.692 -24.308 -15.503 1.00 32.31 C ATOM 1307 C ARG A 77 7.618 -24.317 -13.979 1.00 4.33 C ATOM 1308 O ARG A 77 6.746 -24.959 -13.392 1.00 24.10 O ATOM 1309 CB ARG A 77 6.284 -24.410 -16.092 1.00 51.05 C ATOM 1310 CG ARG A 77 6.199 -23.973 -17.546 1.00 2.33 C ATOM 1311 CD ARG A 77 4.819 -24.236 -18.127 1.00 71.01 C ATOM 1312 NE ARG A 77 4.480 -25.656 -18.110 1.00 34.41 N ATOM 1313 CZ ARG A 77 3.483 -26.182 -18.813 1.00 60.42 C ATOM 1314 NH1 ARG A 77 2.732 -25.410 -19.586 1.00 1.43 N ATOM 1315 NH2 ARG A 77 3.236 -27.484 -18.745 1.00 63.42 N ATOM 0 H ARG A 77 8.003 -26.212 -16.325 1.00 4.11 H new ATOM 0 HA ARG A 77 8.146 -23.370 -15.823 1.00 32.31 H new ATOM 0 HB2 ARG A 77 5.939 -25.441 -16.010 1.00 51.05 H new ATOM 0 HB3 ARG A 77 5.605 -23.799 -15.497 1.00 51.05 H new ATOM 0 HG2 ARG A 77 6.430 -22.911 -17.622 1.00 2.33 H new ATOM 0 HG3 ARG A 77 6.949 -24.505 -18.131 1.00 2.33 H new ATOM 0 HD2 ARG A 77 4.074 -23.679 -17.559 1.00 71.01 H new ATOM 0 HD3 ARG A 77 4.781 -23.866 -19.152 1.00 71.01 H new ATOM 0 HE ARG A 77 5.039 -26.278 -17.526 1.00 34.41 H new ATOM 0 HH11 ARG A 77 2.919 -24.409 -19.642 1.00 1.43 H new ATOM 0 HH12 ARG A 77 1.967 -25.817 -20.124 1.00 1.43 H new ATOM 0 HH21 ARG A 77 3.812 -28.082 -18.152 1.00 63.42 H new ATOM 0 HH22 ARG A 77 2.470 -27.887 -19.285 1.00 63.42 H new ATOM 1329 N LEU A 78 8.539 -23.600 -13.343 1.00 62.44 N ATOM 1330 CA LEU A 78 8.580 -23.525 -11.887 1.00 72.31 C ATOM 1331 C LEU A 78 7.236 -23.070 -11.328 1.00 11.53 C ATOM 1332 O LEU A 78 6.423 -22.456 -12.020 1.00 62.42 O ATOM 1333 CB LEU A 78 9.684 -22.567 -11.437 1.00 31.23 C ATOM 1334 CG LEU A 78 11.084 -23.169 -11.311 1.00 1.55 C ATOM 1335 CD1 LEU A 78 11.331 -24.183 -12.417 1.00 1.35 C ATOM 1336 CD2 LEU A 78 12.140 -22.073 -11.343 1.00 71.13 C ATOM 0 H LEU A 78 9.267 -23.062 -13.813 1.00 62.44 H new ATOM 0 HA LEU A 78 8.794 -24.522 -11.502 1.00 72.31 H new ATOM 0 HB2 LEU A 78 9.729 -21.738 -12.144 1.00 31.23 H new ATOM 0 HB3 LEU A 78 9.402 -22.148 -10.471 1.00 31.23 H new ATOM 0 HG LEU A 78 11.153 -23.684 -10.353 1.00 1.55 H new ATOM 0 HD11 LEU A 78 12.332 -24.601 -12.311 1.00 1.35 H new ATOM 0 HD12 LEU A 78 10.595 -24.984 -12.348 1.00 1.35 H new ATOM 0 HD13 LEU A 78 11.243 -23.693 -13.386 1.00 1.35 H new ATOM 0 HD21 LEU A 78 13.130 -22.519 -11.252 1.00 71.13 H new ATOM 0 HD22 LEU A 78 12.072 -21.530 -12.285 1.00 71.13 H new ATOM 0 HD23 LEU A 78 11.975 -21.384 -10.514 1.00 71.13 H new ATOM 1348 N PRO A 79 6.995 -23.373 -10.044 1.00 25.24 N ATOM 1349 CA PRO A 79 5.752 -23.002 -9.362 1.00 1.33 C ATOM 1350 C PRO A 79 5.646 -21.499 -9.128 1.00 52.41 C ATOM 1351 O PRO A 79 4.625 -20.882 -9.436 1.00 43.03 O ATOM 1352 CB PRO A 79 5.844 -23.745 -8.027 1.00 30.12 C ATOM 1353 CG PRO A 79 7.304 -23.932 -7.797 1.00 10.23 C ATOM 1354 CD PRO A 79 7.919 -24.102 -9.158 1.00 62.02 C ATOM 0 HA PRO A 79 4.872 -23.261 -9.950 1.00 1.33 H new ATOM 0 HB2 PRO A 79 5.387 -23.170 -7.222 1.00 30.12 H new ATOM 0 HB3 PRO A 79 5.324 -24.702 -8.070 1.00 30.12 H new ATOM 0 HG2 PRO A 79 7.731 -23.072 -7.280 1.00 10.23 H new ATOM 0 HG3 PRO A 79 7.492 -24.805 -7.172 1.00 10.23 H new ATOM 0 HD2 PRO A 79 8.926 -23.687 -9.199 1.00 62.02 H new ATOM 0 HD3 PRO A 79 7.996 -25.153 -9.436 1.00 62.02 H new ATOM 1362 N THR A 80 6.707 -20.913 -8.582 1.00 12.44 N ATOM 1363 CA THR A 80 6.732 -19.482 -8.306 1.00 44.32 C ATOM 1364 C THR A 80 7.292 -18.704 -9.491 1.00 45.43 C ATOM 1365 O THR A 80 7.832 -19.287 -10.432 1.00 23.11 O ATOM 1366 CB THR A 80 7.574 -19.165 -7.055 1.00 74.41 C ATOM 1367 OG1 THR A 80 7.739 -20.348 -6.264 1.00 43.34 O ATOM 1368 CG2 THR A 80 6.914 -18.079 -6.220 1.00 15.13 C ATOM 0 H THR A 80 7.560 -21.408 -8.322 1.00 12.44 H new ATOM 0 HA THR A 80 5.701 -19.177 -8.128 1.00 44.32 H new ATOM 0 HB THR A 80 8.550 -18.807 -7.382 1.00 74.41 H new ATOM 0 HG1 THR A 80 8.604 -20.316 -5.804 1.00 43.34 H new ATOM 0 HG21 THR A 80 7.526 -17.872 -5.342 1.00 15.13 H new ATOM 0 HG22 THR A 80 6.815 -17.172 -6.816 1.00 15.13 H new ATOM 0 HG23 THR A 80 5.926 -18.414 -5.903 1.00 15.13 H new ATOM 1376 N THR A 81 7.162 -17.382 -9.440 1.00 53.54 N ATOM 1377 CA THR A 81 7.655 -16.523 -10.510 1.00 75.01 C ATOM 1378 C THR A 81 8.615 -15.469 -9.971 1.00 62.40 C ATOM 1379 O THR A 81 9.553 -15.061 -10.657 1.00 2.41 O ATOM 1380 CB THR A 81 6.497 -15.819 -11.244 1.00 23.04 C ATOM 1381 OG1 THR A 81 6.990 -15.153 -12.412 1.00 25.54 O ATOM 1382 CG2 THR A 81 5.811 -14.813 -10.332 1.00 3.20 C ATOM 0 H THR A 81 6.719 -16.883 -8.669 1.00 53.54 H new ATOM 0 HA THR A 81 8.184 -17.166 -11.213 1.00 75.01 H new ATOM 0 HB THR A 81 5.769 -16.575 -11.538 1.00 23.04 H new ATOM 0 HG1 THR A 81 6.248 -14.710 -12.873 1.00 25.54 H new ATOM 0 HG21 THR A 81 4.997 -14.329 -10.872 1.00 3.20 H new ATOM 0 HG22 THR A 81 5.411 -15.328 -9.458 1.00 3.20 H new ATOM 0 HG23 THR A 81 6.532 -14.061 -10.012 1.00 3.20 H new ATOM 1390 N LEU A 82 8.377 -15.033 -8.739 1.00 72.31 N ATOM 1391 CA LEU A 82 9.222 -14.027 -8.107 1.00 3.51 C ATOM 1392 C LEU A 82 10.552 -14.631 -7.666 1.00 14.20 C ATOM 1393 O LEU A 82 10.799 -14.809 -6.473 1.00 63.32 O ATOM 1394 CB LEU A 82 8.505 -13.412 -6.904 1.00 54.30 C ATOM 1395 CG LEU A 82 7.364 -12.446 -7.225 1.00 55.20 C ATOM 1396 CD1 LEU A 82 6.832 -11.806 -5.952 1.00 11.30 C ATOM 1397 CD2 LEU A 82 7.828 -11.380 -8.207 1.00 15.43 C ATOM 0 H LEU A 82 7.605 -15.361 -8.158 1.00 72.31 H new ATOM 0 HA LEU A 82 9.424 -13.246 -8.840 1.00 3.51 H new ATOM 0 HB2 LEU A 82 8.108 -14.221 -6.291 1.00 54.30 H new ATOM 0 HB3 LEU A 82 9.242 -12.884 -6.298 1.00 54.30 H new ATOM 0 HG LEU A 82 6.555 -13.011 -7.688 1.00 55.20 H new ATOM 0 HD11 LEU A 82 6.021 -11.122 -6.200 1.00 11.30 H new ATOM 0 HD12 LEU A 82 6.460 -12.582 -5.283 1.00 11.30 H new ATOM 0 HD13 LEU A 82 7.633 -11.255 -5.459 1.00 11.30 H new ATOM 0 HD21 LEU A 82 7.003 -10.701 -8.424 1.00 15.43 H new ATOM 0 HD22 LEU A 82 8.654 -10.819 -7.771 1.00 15.43 H new ATOM 0 HD23 LEU A 82 8.159 -11.855 -9.130 1.00 15.43 H new ATOM 1409 N PHE A 83 11.405 -14.942 -8.636 1.00 51.11 N ATOM 1410 CA PHE A 83 12.710 -15.525 -8.348 1.00 42.02 C ATOM 1411 C PHE A 83 13.796 -14.877 -9.202 1.00 52.43 C ATOM 1412 O PHE A 83 13.539 -13.915 -9.928 1.00 24.43 O ATOM 1413 CB PHE A 83 12.684 -17.035 -8.596 1.00 50.43 C ATOM 1414 CG PHE A 83 12.049 -17.416 -9.903 1.00 32.43 C ATOM 1415 CD1 PHE A 83 12.318 -16.697 -11.056 1.00 3.33 C ATOM 1416 CD2 PHE A 83 11.183 -18.495 -9.978 1.00 73.30 C ATOM 1417 CE1 PHE A 83 11.734 -17.046 -12.259 1.00 4.52 C ATOM 1418 CE2 PHE A 83 10.596 -18.849 -11.179 1.00 22.14 C ATOM 1419 CZ PHE A 83 10.873 -18.124 -12.321 1.00 3.24 C ATOM 0 H PHE A 83 11.216 -14.800 -9.628 1.00 51.11 H new ATOM 0 HA PHE A 83 12.939 -15.340 -7.298 1.00 42.02 H new ATOM 0 HB2 PHE A 83 13.705 -17.417 -8.572 1.00 50.43 H new ATOM 0 HB3 PHE A 83 12.143 -17.520 -7.783 1.00 50.43 H new ATOM 0 HD1 PHE A 83 12.992 -15.854 -11.014 1.00 3.33 H new ATOM 0 HD2 PHE A 83 10.964 -19.066 -9.088 1.00 73.30 H new ATOM 0 HE1 PHE A 83 11.951 -16.476 -13.150 1.00 4.52 H new ATOM 0 HE2 PHE A 83 9.922 -19.691 -11.224 1.00 22.14 H new ATOM 0 HZ PHE A 83 10.417 -18.399 -13.261 1.00 3.24 H new ATOM 1429 N PHE A 84 15.010 -15.409 -9.110 1.00 33.30 N ATOM 1430 CA PHE A 84 16.136 -14.883 -9.872 1.00 52.53 C ATOM 1431 C PHE A 84 17.242 -15.926 -10.000 1.00 10.23 C ATOM 1432 O PHE A 84 17.266 -16.914 -9.265 1.00 15.42 O ATOM 1433 CB PHE A 84 16.685 -13.620 -9.205 1.00 54.30 C ATOM 1434 CG PHE A 84 17.429 -13.891 -7.929 1.00 33.12 C ATOM 1435 CD1 PHE A 84 18.646 -14.552 -7.949 1.00 22.34 C ATOM 1436 CD2 PHE A 84 16.911 -13.485 -6.710 1.00 10.33 C ATOM 1437 CE1 PHE A 84 19.332 -14.804 -6.776 1.00 4.04 C ATOM 1438 CE2 PHE A 84 17.593 -13.733 -5.533 1.00 70.23 C ATOM 1439 CZ PHE A 84 18.806 -14.393 -5.567 1.00 12.24 C ATOM 0 H PHE A 84 15.239 -16.205 -8.515 1.00 33.30 H new ATOM 0 HA PHE A 84 15.780 -14.633 -10.871 1.00 52.53 H new ATOM 0 HB2 PHE A 84 17.350 -13.110 -9.902 1.00 54.30 H new ATOM 0 HB3 PHE A 84 15.859 -12.940 -8.997 1.00 54.30 H new ATOM 0 HD1 PHE A 84 19.063 -14.874 -8.892 1.00 22.34 H new ATOM 0 HD2 PHE A 84 15.963 -12.969 -6.679 1.00 10.33 H new ATOM 0 HE1 PHE A 84 20.279 -15.322 -6.805 1.00 4.04 H new ATOM 0 HE2 PHE A 84 17.178 -13.411 -4.589 1.00 70.23 H new ATOM 0 HZ PHE A 84 19.342 -14.587 -4.650 1.00 12.24 H new ATOM 1449 N ILE A 85 18.156 -15.699 -10.937 1.00 74.04 N ATOM 1450 CA ILE A 85 19.264 -16.618 -11.161 1.00 65.30 C ATOM 1451 C ILE A 85 20.550 -16.092 -10.533 1.00 3.14 C ATOM 1452 O ILE A 85 20.814 -14.890 -10.550 1.00 33.13 O ATOM 1453 CB ILE A 85 19.502 -16.859 -12.664 1.00 31.04 C ATOM 1454 CG1 ILE A 85 19.984 -15.573 -13.338 1.00 64.33 C ATOM 1455 CG2 ILE A 85 18.230 -17.366 -13.326 1.00 73.12 C ATOM 1456 CD1 ILE A 85 20.412 -15.769 -14.776 1.00 22.31 C ATOM 0 H ILE A 85 18.151 -14.886 -11.553 1.00 74.04 H new ATOM 0 HA ILE A 85 18.991 -17.562 -10.689 1.00 65.30 H new ATOM 0 HB ILE A 85 20.275 -17.619 -12.778 1.00 31.04 H new ATOM 0 HG12 ILE A 85 19.185 -14.832 -13.303 1.00 64.33 H new ATOM 0 HG13 ILE A 85 20.821 -15.166 -12.770 1.00 64.33 H new ATOM 0 HG21 ILE A 85 18.413 -17.532 -14.388 1.00 73.12 H new ATOM 0 HG22 ILE A 85 17.926 -18.303 -12.860 1.00 73.12 H new ATOM 0 HG23 ILE A 85 17.438 -16.627 -13.206 1.00 73.12 H new ATOM 0 HD11 ILE A 85 20.741 -14.816 -15.191 1.00 22.31 H new ATOM 0 HD12 ILE A 85 21.232 -16.486 -14.817 1.00 22.31 H new ATOM 0 HD13 ILE A 85 19.571 -16.146 -15.358 1.00 22.31 H new ATOM 1468 N GLU A 86 21.348 -17.001 -9.980 1.00 52.21 N ATOM 1469 CA GLU A 86 22.607 -16.627 -9.347 1.00 61.20 C ATOM 1470 C GLU A 86 23.510 -15.884 -10.328 1.00 14.13 C ATOM 1471 O GLU A 86 24.363 -15.091 -9.927 1.00 32.42 O ATOM 1472 CB GLU A 86 23.326 -17.870 -8.817 1.00 54.03 C ATOM 1473 CG GLU A 86 24.600 -17.556 -8.051 1.00 71.25 C ATOM 1474 CD GLU A 86 24.615 -18.174 -6.667 1.00 5.02 C ATOM 1475 OE1 GLU A 86 23.782 -17.770 -5.828 1.00 63.34 O ATOM 1476 OE2 GLU A 86 25.460 -19.060 -6.421 1.00 62.12 O ATOM 0 H GLU A 86 21.145 -18.000 -9.958 1.00 52.21 H new ATOM 0 HA GLU A 86 22.381 -15.963 -8.513 1.00 61.20 H new ATOM 0 HB2 GLU A 86 22.648 -18.422 -8.166 1.00 54.03 H new ATOM 0 HB3 GLU A 86 23.568 -18.524 -9.655 1.00 54.03 H new ATOM 0 HG2 GLU A 86 25.458 -17.919 -8.616 1.00 71.25 H new ATOM 0 HG3 GLU A 86 24.710 -16.475 -7.963 1.00 71.25 H new ATOM 1483 N THR A 87 23.316 -16.146 -11.617 1.00 14.23 N ATOM 1484 CA THR A 87 24.112 -15.504 -12.655 1.00 73.32 C ATOM 1485 C THR A 87 23.687 -14.054 -12.856 1.00 62.25 C ATOM 1486 O THR A 87 24.331 -13.305 -13.591 1.00 5.01 O ATOM 1487 CB THR A 87 23.994 -16.253 -13.996 1.00 53.34 C ATOM 1488 OG1 THR A 87 23.018 -17.295 -13.891 1.00 71.43 O ATOM 1489 CG2 THR A 87 25.334 -16.845 -14.405 1.00 51.14 C ATOM 0 H THR A 87 22.614 -16.799 -11.967 1.00 14.23 H new ATOM 0 HA THR A 87 25.149 -15.532 -12.321 1.00 73.32 H new ATOM 0 HB THR A 87 23.682 -15.540 -14.759 1.00 53.34 H new ATOM 0 HG1 THR A 87 22.948 -17.765 -14.748 1.00 71.43 H new ATOM 0 HG21 THR A 87 25.226 -17.369 -15.355 1.00 51.14 H new ATOM 0 HG22 THR A 87 26.067 -16.046 -14.513 1.00 51.14 H new ATOM 0 HG23 THR A 87 25.671 -17.545 -13.641 1.00 51.14 H new ATOM 1497 N ASP A 88 22.600 -13.664 -12.200 1.00 24.34 N ATOM 1498 CA ASP A 88 22.091 -12.302 -12.305 1.00 74.12 C ATOM 1499 C ASP A 88 22.486 -11.478 -11.084 1.00 45.43 C ATOM 1500 O ASP A 88 22.488 -10.247 -11.128 1.00 71.02 O ATOM 1501 CB ASP A 88 20.569 -12.315 -12.456 1.00 53.51 C ATOM 1502 CG ASP A 88 20.013 -10.955 -12.834 1.00 22.44 C ATOM 1503 OD1 ASP A 88 20.015 -10.052 -11.971 1.00 25.55 O ATOM 1504 OD2 ASP A 88 19.577 -10.794 -13.992 1.00 71.23 O ATOM 0 H ASP A 88 22.054 -14.272 -11.590 1.00 24.34 H new ATOM 0 HA ASP A 88 22.533 -11.842 -13.189 1.00 74.12 H new ATOM 0 HB2 ASP A 88 20.288 -13.043 -13.217 1.00 53.51 H new ATOM 0 HB3 ASP A 88 20.117 -12.642 -11.520 1.00 53.51 H new ATOM 1509 N ILE A 89 22.820 -12.164 -9.996 1.00 44.45 N ATOM 1510 CA ILE A 89 23.218 -11.494 -8.764 1.00 72.50 C ATOM 1511 C ILE A 89 24.724 -11.595 -8.545 1.00 15.21 C ATOM 1512 O ILE A 89 25.341 -10.689 -7.984 1.00 62.34 O ATOM 1513 CB ILE A 89 22.492 -12.088 -7.542 1.00 51.31 C ATOM 1514 CG1 ILE A 89 21.005 -12.280 -7.849 1.00 23.45 C ATOM 1515 CG2 ILE A 89 22.676 -11.189 -6.329 1.00 10.43 C ATOM 1516 CD1 ILE A 89 20.290 -10.996 -8.203 1.00 50.41 C ATOM 0 H ILE A 89 22.823 -13.183 -9.943 1.00 44.45 H new ATOM 0 HA ILE A 89 22.938 -10.446 -8.869 1.00 72.50 H new ATOM 0 HB ILE A 89 22.926 -13.062 -7.317 1.00 51.31 H new ATOM 0 HG12 ILE A 89 20.901 -12.984 -8.675 1.00 23.45 H new ATOM 0 HG13 ILE A 89 20.519 -12.730 -6.983 1.00 23.45 H new ATOM 0 HG21 ILE A 89 22.157 -11.622 -5.473 1.00 10.43 H new ATOM 0 HG22 ILE A 89 23.738 -11.098 -6.101 1.00 10.43 H new ATOM 0 HG23 ILE A 89 22.264 -10.202 -6.542 1.00 10.43 H new ATOM 0 HD11 ILE A 89 19.241 -11.208 -8.408 1.00 50.41 H new ATOM 0 HD12 ILE A 89 20.363 -10.297 -7.369 1.00 50.41 H new ATOM 0 HD13 ILE A 89 20.750 -10.555 -9.087 1.00 50.41 H new ATOM 1528 N ARG A 90 25.309 -12.701 -8.992 1.00 74.04 N ATOM 1529 CA ARG A 90 26.743 -12.920 -8.846 1.00 14.31 C ATOM 1530 C ARG A 90 27.528 -11.683 -9.274 1.00 74.31 C ATOM 1531 O ARG A 90 28.259 -11.080 -8.489 1.00 42.42 O ATOM 1532 CB ARG A 90 27.183 -14.128 -9.674 1.00 31.53 C ATOM 1533 CG ARG A 90 27.388 -15.389 -8.850 1.00 11.05 C ATOM 1534 CD ARG A 90 27.696 -16.588 -9.733 1.00 1.04 C ATOM 1535 NE ARG A 90 29.133 -16.804 -9.880 1.00 31.42 N ATOM 1536 CZ ARG A 90 29.869 -16.235 -10.828 1.00 14.21 C ATOM 1537 NH1 ARG A 90 29.306 -15.418 -11.708 1.00 35.42 N ATOM 1538 NH2 ARG A 90 31.171 -16.481 -10.897 1.00 33.13 N ATOM 0 H ARG A 90 24.812 -13.460 -9.458 1.00 74.04 H new ATOM 0 HA ARG A 90 26.950 -13.115 -7.794 1.00 14.31 H new ATOM 0 HB2 ARG A 90 26.435 -14.324 -10.442 1.00 31.53 H new ATOM 0 HB3 ARG A 90 28.112 -13.886 -10.189 1.00 31.53 H new ATOM 0 HG2 ARG A 90 28.205 -15.235 -8.145 1.00 11.05 H new ATOM 0 HG3 ARG A 90 26.493 -15.590 -8.261 1.00 11.05 H new ATOM 0 HD2 ARG A 90 27.237 -17.480 -9.306 1.00 1.04 H new ATOM 0 HD3 ARG A 90 27.249 -16.439 -10.716 1.00 1.04 H new ATOM 0 HE ARG A 90 29.597 -17.426 -9.218 1.00 31.42 H new ATOM 0 HH11 ARG A 90 28.306 -15.225 -11.658 1.00 35.42 H new ATOM 0 HH12 ARG A 90 29.873 -14.982 -12.435 1.00 35.42 H new ATOM 0 HH21 ARG A 90 31.608 -17.108 -10.221 1.00 33.13 H new ATOM 0 HH22 ARG A 90 31.735 -16.043 -11.626 1.00 33.13 H new ATOM 1552 N PRO A 91 27.374 -11.297 -10.549 1.00 51.33 N ATOM 1553 CA PRO A 91 28.060 -10.129 -11.111 1.00 21.32 C ATOM 1554 C PRO A 91 27.528 -8.817 -10.546 1.00 53.21 C ATOM 1555 O PRO A 91 27.928 -7.737 -10.979 1.00 55.52 O ATOM 1556 CB PRO A 91 27.760 -10.228 -12.609 1.00 10.14 C ATOM 1557 CG PRO A 91 26.488 -11.000 -12.690 1.00 43.31 C ATOM 1558 CD PRO A 91 26.518 -11.969 -11.541 1.00 71.20 C ATOM 0 HA PRO A 91 29.124 -10.129 -10.875 1.00 21.32 H new ATOM 0 HB2 PRO A 91 27.653 -9.240 -13.058 1.00 10.14 H new ATOM 0 HB3 PRO A 91 28.565 -10.734 -13.141 1.00 10.14 H new ATOM 0 HG2 PRO A 91 25.625 -10.338 -12.620 1.00 43.31 H new ATOM 0 HG3 PRO A 91 26.410 -11.526 -13.642 1.00 43.31 H new ATOM 0 HD2 PRO A 91 25.519 -12.157 -11.148 1.00 71.20 H new ATOM 0 HD3 PRO A 91 26.930 -12.933 -11.839 1.00 71.20 H new ATOM 1566 N MET A 92 26.624 -8.918 -9.577 1.00 21.22 N ATOM 1567 CA MET A 92 26.039 -7.738 -8.952 1.00 15.11 C ATOM 1568 C MET A 92 26.586 -7.541 -7.542 1.00 1.01 C ATOM 1569 O MET A 92 26.778 -6.411 -7.092 1.00 2.42 O ATOM 1570 CB MET A 92 24.514 -7.861 -8.907 1.00 23.40 C ATOM 1571 CG MET A 92 23.808 -7.075 -10.000 1.00 24.23 C ATOM 1572 SD MET A 92 22.390 -6.149 -9.383 1.00 11.41 S ATOM 1573 CE MET A 92 22.191 -4.930 -10.680 1.00 44.05 C ATOM 0 H MET A 92 26.281 -9.805 -9.208 1.00 21.22 H new ATOM 0 HA MET A 92 26.309 -6.869 -9.552 1.00 15.11 H new ATOM 0 HB2 MET A 92 24.240 -8.913 -8.992 1.00 23.40 H new ATOM 0 HB3 MET A 92 24.158 -7.517 -7.936 1.00 23.40 H new ATOM 0 HG2 MET A 92 24.515 -6.385 -10.461 1.00 24.23 H new ATOM 0 HG3 MET A 92 23.478 -7.761 -10.780 1.00 24.23 H new ATOM 0 HE1 MET A 92 21.349 -4.280 -10.442 1.00 44.05 H new ATOM 0 HE2 MET A 92 23.099 -4.333 -10.761 1.00 44.05 H new ATOM 0 HE3 MET A 92 22.003 -5.435 -11.628 1.00 44.05 H new ATOM 1583 N LEU A 93 26.835 -8.647 -6.849 1.00 44.22 N ATOM 1584 CA LEU A 93 27.361 -8.596 -5.489 1.00 41.44 C ATOM 1585 C LEU A 93 28.727 -7.917 -5.459 1.00 31.33 C ATOM 1586 O LEU A 93 28.839 -6.717 -5.704 1.00 42.35 O ATOM 1587 CB LEU A 93 27.467 -10.007 -4.909 1.00 13.11 C ATOM 1588 CG LEU A 93 26.158 -10.790 -4.807 1.00 34.34 C ATOM 1589 CD1 LEU A 93 26.433 -12.250 -4.483 1.00 22.52 C ATOM 1590 CD2 LEU A 93 25.247 -10.172 -3.756 1.00 54.12 C ATOM 0 H LEU A 93 26.681 -9.590 -7.206 1.00 44.22 H new ATOM 0 HA LEU A 93 26.671 -8.011 -4.880 1.00 41.44 H new ATOM 0 HB2 LEU A 93 28.163 -10.579 -5.523 1.00 13.11 H new ATOM 0 HB3 LEU A 93 27.904 -9.937 -3.913 1.00 13.11 H new ATOM 0 HG LEU A 93 25.653 -10.742 -5.772 1.00 34.34 H new ATOM 0 HD11 LEU A 93 25.489 -12.791 -4.414 1.00 22.52 H new ATOM 0 HD12 LEU A 93 27.046 -12.688 -5.270 1.00 22.52 H new ATOM 0 HD13 LEU A 93 26.961 -12.318 -3.532 1.00 22.52 H new ATOM 0 HD21 LEU A 93 24.320 -10.742 -3.697 1.00 54.12 H new ATOM 0 HD22 LEU A 93 25.746 -10.189 -2.787 1.00 54.12 H new ATOM 0 HD23 LEU A 93 25.022 -9.141 -4.030 1.00 54.12 H new ATOM 1602 N GLN A 94 29.762 -8.695 -5.157 1.00 74.25 N ATOM 1603 CA GLN A 94 31.120 -8.169 -5.097 1.00 1.04 C ATOM 1604 C GLN A 94 32.112 -9.149 -5.715 1.00 54.24 C ATOM 1605 O GLN A 94 31.967 -10.364 -5.577 1.00 42.43 O ATOM 1606 CB GLN A 94 31.512 -7.876 -3.647 1.00 54.02 C ATOM 1607 CG GLN A 94 33.013 -7.765 -3.433 1.00 35.41 C ATOM 1608 CD GLN A 94 33.376 -6.762 -2.357 1.00 10.44 C ATOM 1609 OE1 GLN A 94 33.799 -5.644 -2.652 1.00 5.44 O ATOM 1610 NE2 GLN A 94 33.212 -7.156 -1.099 1.00 70.02 N ATOM 0 H GLN A 94 29.686 -9.691 -4.950 1.00 74.25 H new ATOM 0 HA GLN A 94 31.149 -7.242 -5.669 1.00 1.04 H new ATOM 0 HB2 GLN A 94 31.039 -6.946 -3.332 1.00 54.02 H new ATOM 0 HB3 GLN A 94 31.120 -8.666 -3.007 1.00 54.02 H new ATOM 0 HG2 GLN A 94 33.411 -8.743 -3.162 1.00 35.41 H new ATOM 0 HG3 GLN A 94 33.489 -7.476 -4.370 1.00 35.41 H new ATOM 0 HE21 GLN A 94 32.859 -8.092 -0.900 1.00 70.02 H new ATOM 0 HE22 GLN A 94 33.440 -6.523 -0.332 1.00 70.02 H new ATOM 1619 N ASP A 95 33.117 -8.613 -6.398 1.00 4.21 N ATOM 1620 CA ASP A 95 34.134 -9.440 -7.038 1.00 12.03 C ATOM 1621 C ASP A 95 34.958 -10.191 -5.997 1.00 34.35 C ATOM 1622 O ASP A 95 35.299 -11.359 -6.185 1.00 40.14 O ATOM 1623 CB ASP A 95 35.051 -8.578 -7.906 1.00 51.35 C ATOM 1624 CG ASP A 95 35.444 -9.269 -9.197 1.00 53.03 C ATOM 1625 OD1 ASP A 95 34.582 -9.385 -10.094 1.00 3.33 O ATOM 1626 OD2 ASP A 95 36.612 -9.695 -9.311 1.00 23.12 O ATOM 0 H ASP A 95 33.250 -7.609 -6.523 1.00 4.21 H new ATOM 0 HA ASP A 95 33.628 -10.169 -7.670 1.00 12.03 H new ATOM 0 HB2 ASP A 95 34.549 -7.639 -8.138 1.00 51.35 H new ATOM 0 HB3 ASP A 95 35.950 -8.328 -7.343 1.00 51.35 H new ATOM 1631 N ARG A 96 35.274 -9.513 -4.898 1.00 63.23 N ATOM 1632 CA ARG A 96 36.060 -10.116 -3.828 1.00 40.22 C ATOM 1633 C ARG A 96 35.154 -10.788 -2.801 1.00 10.34 C ATOM 1634 O ARG A 96 35.551 -11.006 -1.655 1.00 63.03 O ATOM 1635 CB ARG A 96 36.927 -9.057 -3.145 1.00 12.24 C ATOM 1636 CG ARG A 96 36.125 -7.987 -2.421 1.00 73.34 C ATOM 1637 CD ARG A 96 36.895 -7.415 -1.242 1.00 22.54 C ATOM 1638 NE ARG A 96 38.255 -7.032 -1.610 1.00 64.21 N ATOM 1639 CZ ARG A 96 39.208 -6.763 -0.725 1.00 3.51 C ATOM 1640 NH1 ARG A 96 38.951 -6.834 0.574 1.00 71.32 N ATOM 1641 NH2 ARG A 96 40.422 -6.421 -1.138 1.00 40.31 N ATOM 0 H ARG A 96 34.998 -8.546 -4.725 1.00 63.23 H new ATOM 0 HA ARG A 96 36.706 -10.875 -4.268 1.00 40.22 H new ATOM 0 HB2 ARG A 96 37.590 -9.547 -2.432 1.00 12.24 H new ATOM 0 HB3 ARG A 96 37.560 -8.580 -3.893 1.00 12.24 H new ATOM 0 HG2 ARG A 96 35.875 -7.186 -3.116 1.00 73.34 H new ATOM 0 HG3 ARG A 96 35.184 -8.411 -2.071 1.00 73.34 H new ATOM 0 HD2 ARG A 96 36.367 -6.545 -0.852 1.00 22.54 H new ATOM 0 HD3 ARG A 96 36.931 -8.153 -0.440 1.00 22.54 H new ATOM 0 HE ARG A 96 38.486 -6.967 -2.601 1.00 64.21 H new ATOM 0 HH11 ARG A 96 38.019 -7.096 0.896 1.00 71.32 H new ATOM 0 HH12 ARG A 96 39.685 -6.627 1.251 1.00 71.32 H new ATOM 0 HH21 ARG A 96 40.624 -6.364 -2.136 1.00 40.31 H new ATOM 0 HH22 ARG A 96 41.153 -6.215 -0.457 1.00 40.31 H new ATOM 1655 N LEU A 97 33.935 -11.113 -3.217 1.00 42.21 N ATOM 1656 CA LEU A 97 32.972 -11.760 -2.333 1.00 53.31 C ATOM 1657 C LEU A 97 33.256 -13.254 -2.218 1.00 52.13 C ATOM 1658 O LEU A 97 32.879 -13.894 -1.236 1.00 42.32 O ATOM 1659 CB LEU A 97 31.548 -11.538 -2.848 1.00 5.42 C ATOM 1660 CG LEU A 97 30.426 -12.123 -1.990 1.00 53.43 C ATOM 1661 CD1 LEU A 97 30.712 -11.902 -0.513 1.00 60.01 C ATOM 1662 CD2 LEU A 97 29.087 -11.509 -2.373 1.00 50.24 C ATOM 0 H LEU A 97 33.590 -10.939 -4.161 1.00 42.21 H new ATOM 0 HA LEU A 97 33.068 -11.314 -1.343 1.00 53.31 H new ATOM 0 HB2 LEU A 97 31.382 -10.465 -2.946 1.00 5.42 H new ATOM 0 HB3 LEU A 97 31.474 -11.965 -3.848 1.00 5.42 H new ATOM 0 HG LEU A 97 30.377 -13.196 -2.173 1.00 53.43 H new ATOM 0 HD11 LEU A 97 29.902 -12.325 0.082 1.00 60.01 H new ATOM 0 HD12 LEU A 97 31.650 -12.389 -0.247 1.00 60.01 H new ATOM 0 HD13 LEU A 97 30.789 -10.833 -0.313 1.00 60.01 H new ATOM 0 HD21 LEU A 97 28.300 -11.937 -1.752 1.00 50.24 H new ATOM 0 HD22 LEU A 97 29.124 -10.430 -2.220 1.00 50.24 H new ATOM 0 HD23 LEU A 97 28.877 -11.719 -3.422 1.00 50.24 H new ATOM 1674 N ARG A 98 33.924 -13.803 -3.227 1.00 60.23 N ATOM 1675 CA ARG A 98 34.260 -15.222 -3.239 1.00 13.10 C ATOM 1676 C ARG A 98 32.998 -16.079 -3.283 1.00 52.31 C ATOM 1677 O ARG A 98 31.889 -15.607 -3.031 1.00 74.45 O ATOM 1678 CB ARG A 98 35.090 -15.581 -2.006 1.00 23.43 C ATOM 1679 CG ARG A 98 36.573 -15.749 -2.297 1.00 54.33 C ATOM 1680 CD ARG A 98 37.305 -16.373 -1.120 1.00 10.12 C ATOM 1681 NE ARG A 98 38.695 -16.683 -1.442 1.00 4.40 N ATOM 1682 CZ ARG A 98 39.070 -17.761 -2.122 1.00 14.24 C ATOM 1683 NH1 ARG A 98 38.162 -18.627 -2.549 1.00 34.41 N ATOM 1684 NH2 ARG A 98 40.354 -17.974 -2.376 1.00 5.43 N ATOM 0 H ARG A 98 34.243 -13.287 -4.047 1.00 60.23 H new ATOM 0 HA ARG A 98 34.847 -15.424 -4.135 1.00 13.10 H new ATOM 0 HB2 ARG A 98 34.962 -14.803 -1.253 1.00 23.43 H new ATOM 0 HB3 ARG A 98 34.706 -16.506 -1.577 1.00 23.43 H new ATOM 0 HG2 ARG A 98 36.703 -16.374 -3.180 1.00 54.33 H new ATOM 0 HG3 ARG A 98 37.012 -14.778 -2.526 1.00 54.33 H new ATOM 0 HD2 ARG A 98 37.273 -15.691 -0.270 1.00 10.12 H new ATOM 0 HD3 ARG A 98 36.791 -17.285 -0.816 1.00 10.12 H new ATOM 0 HE ARG A 98 39.418 -16.036 -1.127 1.00 4.40 H new ATOM 0 HH11 ARG A 98 37.173 -18.466 -2.356 1.00 34.41 H new ATOM 0 HH12 ARG A 98 38.452 -19.454 -3.071 1.00 34.41 H new ATOM 0 HH21 ARG A 98 41.056 -17.310 -2.049 1.00 5.43 H new ATOM 0 HH22 ARG A 98 40.640 -18.802 -2.898 1.00 5.43 H new ATOM 1698 N PRO A 99 33.169 -17.368 -3.611 1.00 71.01 N ATOM 1699 CA PRO A 99 32.055 -18.318 -3.696 1.00 45.31 C ATOM 1700 C PRO A 99 31.465 -18.643 -2.328 1.00 51.53 C ATOM 1701 O PRO A 99 31.647 -19.743 -1.809 1.00 30.44 O ATOM 1702 CB PRO A 99 32.698 -19.564 -4.311 1.00 1.34 C ATOM 1703 CG PRO A 99 34.139 -19.466 -3.945 1.00 30.43 C ATOM 1704 CD PRO A 99 34.463 -17.998 -3.924 1.00 34.13 C ATOM 0 HA PRO A 99 31.223 -17.920 -4.277 1.00 45.31 H new ATOM 0 HB2 PRO A 99 32.250 -20.476 -3.917 1.00 1.34 H new ATOM 0 HB3 PRO A 99 32.565 -19.585 -5.393 1.00 1.34 H new ATOM 0 HG2 PRO A 99 34.326 -19.921 -2.972 1.00 30.43 H new ATOM 0 HG3 PRO A 99 34.762 -19.993 -4.668 1.00 30.43 H new ATOM 0 HD2 PRO A 99 35.217 -17.763 -3.172 1.00 34.13 H new ATOM 0 HD3 PRO A 99 34.854 -17.659 -4.883 1.00 34.13 H new ATOM 1712 N SER A 100 30.757 -17.678 -1.750 1.00 54.43 N ATOM 1713 CA SER A 100 30.142 -17.860 -0.441 1.00 31.33 C ATOM 1714 C SER A 100 28.666 -18.220 -0.579 1.00 33.10 C ATOM 1715 O SER A 100 28.113 -18.950 0.244 1.00 11.13 O ATOM 1716 CB SER A 100 30.292 -16.590 0.399 1.00 64.05 C ATOM 1717 OG SER A 100 30.892 -15.550 -0.354 1.00 4.21 O ATOM 0 H SER A 100 30.595 -16.762 -2.168 1.00 54.43 H new ATOM 0 HA SER A 100 30.653 -18.681 0.061 1.00 31.33 H new ATOM 0 HB2 SER A 100 29.314 -16.268 0.755 1.00 64.05 H new ATOM 0 HB3 SER A 100 30.898 -16.802 1.280 1.00 64.05 H new ATOM 0 HG SER A 100 31.481 -15.024 0.226 1.00 4.21 H new ATOM 1723 N PHE A 101 28.033 -17.702 -1.626 1.00 74.44 N ATOM 1724 CA PHE A 101 26.620 -17.967 -1.874 1.00 21.34 C ATOM 1725 C PHE A 101 26.329 -19.464 -1.817 1.00 65.22 C ATOM 1726 O PHE A 101 25.450 -19.909 -1.080 1.00 70.24 O ATOM 1727 CB PHE A 101 26.205 -17.407 -3.235 1.00 51.34 C ATOM 1728 CG PHE A 101 24.795 -16.890 -3.266 1.00 72.44 C ATOM 1729 CD1 PHE A 101 23.768 -17.607 -2.673 1.00 54.34 C ATOM 1730 CD2 PHE A 101 24.497 -15.689 -3.888 1.00 15.40 C ATOM 1731 CE1 PHE A 101 22.469 -17.134 -2.701 1.00 61.23 C ATOM 1732 CE2 PHE A 101 23.200 -15.211 -3.919 1.00 11.33 C ATOM 1733 CZ PHE A 101 22.185 -15.934 -3.324 1.00 21.24 C ATOM 0 H PHE A 101 28.476 -17.096 -2.317 1.00 74.44 H new ATOM 0 HA PHE A 101 26.041 -17.472 -1.094 1.00 21.34 H new ATOM 0 HB2 PHE A 101 26.885 -16.601 -3.510 1.00 51.34 H new ATOM 0 HB3 PHE A 101 26.314 -18.187 -3.988 1.00 51.34 H new ATOM 0 HD1 PHE A 101 23.985 -18.545 -2.184 1.00 54.34 H new ATOM 0 HD2 PHE A 101 25.287 -15.119 -4.354 1.00 15.40 H new ATOM 0 HE1 PHE A 101 21.677 -17.702 -2.236 1.00 61.23 H new ATOM 0 HE2 PHE A 101 22.981 -14.273 -4.408 1.00 11.33 H new ATOM 0 HZ PHE A 101 21.171 -15.562 -3.346 1.00 21.24 H new ATOM 1743 N ALA A 102 27.075 -20.236 -2.602 1.00 10.43 N ATOM 1744 CA ALA A 102 26.899 -21.682 -2.641 1.00 22.04 C ATOM 1745 C ALA A 102 27.016 -22.287 -1.246 1.00 21.02 C ATOM 1746 O ALA A 102 26.512 -23.380 -0.987 1.00 63.45 O ATOM 1747 CB ALA A 102 27.918 -22.312 -3.579 1.00 31.44 C ATOM 0 H ALA A 102 27.807 -19.883 -3.219 1.00 10.43 H new ATOM 0 HA ALA A 102 25.897 -21.892 -3.016 1.00 22.04 H new ATOM 0 HB1 ALA A 102 27.775 -23.392 -3.599 1.00 31.44 H new ATOM 0 HB2 ALA A 102 27.785 -21.910 -4.583 1.00 31.44 H new ATOM 0 HB3 ALA A 102 28.925 -22.085 -3.228 1.00 31.44 H new ATOM 1753 N LYS A 103 27.684 -21.570 -0.349 1.00 4.30 N ATOM 1754 CA LYS A 103 27.868 -22.035 1.021 1.00 53.23 C ATOM 1755 C LYS A 103 26.801 -21.450 1.941 1.00 30.31 C ATOM 1756 O LYS A 103 26.554 -21.970 3.029 1.00 3.21 O ATOM 1757 CB LYS A 103 29.260 -21.653 1.529 1.00 52.22 C ATOM 1758 CG LYS A 103 30.306 -22.730 1.303 1.00 24.34 C ATOM 1759 CD LYS A 103 30.810 -22.727 -0.130 1.00 61.12 C ATOM 1760 CE LYS A 103 31.772 -23.878 -0.386 1.00 13.44 C ATOM 1761 NZ LYS A 103 31.956 -24.134 -1.841 1.00 14.10 N ATOM 0 H LYS A 103 28.108 -20.663 -0.546 1.00 4.30 H new ATOM 0 HA LYS A 103 27.772 -23.121 1.026 1.00 53.23 H new ATOM 0 HB2 LYS A 103 29.580 -20.737 1.032 1.00 52.22 H new ATOM 0 HB3 LYS A 103 29.201 -21.433 2.595 1.00 52.22 H new ATOM 0 HG2 LYS A 103 31.143 -22.574 1.984 1.00 24.34 H new ATOM 0 HG3 LYS A 103 29.881 -23.706 1.538 1.00 24.34 H new ATOM 0 HD2 LYS A 103 29.965 -22.799 -0.814 1.00 61.12 H new ATOM 0 HD3 LYS A 103 31.309 -21.781 -0.339 1.00 61.12 H new ATOM 0 HE2 LYS A 103 32.737 -23.652 0.068 1.00 13.44 H new ATOM 0 HE3 LYS A 103 31.396 -24.780 0.097 1.00 13.44 H new ATOM 0 HZ1 LYS A 103 32.618 -24.925 -1.973 1.00 14.10 H new ATOM 0 HZ2 LYS A 103 31.039 -24.374 -2.270 1.00 14.10 H new ATOM 0 HZ3 LYS A 103 32.339 -23.282 -2.298 1.00 14.10 H new ATOM 1775 N ALA A 104 26.171 -20.368 1.497 1.00 73.15 N ATOM 1776 CA ALA A 104 25.128 -19.716 2.279 1.00 41.21 C ATOM 1777 C ALA A 104 23.749 -20.253 1.912 1.00 70.01 C ATOM 1778 O ALA A 104 22.789 -20.094 2.667 1.00 5.31 O ATOM 1779 CB ALA A 104 25.181 -18.209 2.076 1.00 52.21 C ATOM 0 H ALA A 104 26.365 -19.924 0.599 1.00 73.15 H new ATOM 0 HA ALA A 104 25.306 -19.937 3.331 1.00 41.21 H new ATOM 0 HB1 ALA A 104 24.397 -17.735 2.666 1.00 52.21 H new ATOM 0 HB2 ALA A 104 26.153 -17.833 2.395 1.00 52.21 H new ATOM 0 HB3 ALA A 104 25.031 -17.978 1.021 1.00 52.21 H new ATOM 1785 N ILE A 105 23.657 -20.889 0.749 1.00 42.22 N ATOM 1786 CA ILE A 105 22.395 -21.449 0.283 1.00 70.42 C ATOM 1787 C ILE A 105 21.707 -22.247 1.386 1.00 65.34 C ATOM 1788 O ILE A 105 20.535 -22.038 1.699 1.00 5.21 O ATOM 1789 CB ILE A 105 22.602 -22.360 -0.942 1.00 35.22 C ATOM 1790 CG1 ILE A 105 22.908 -21.520 -2.183 1.00 64.44 C ATOM 1791 CG2 ILE A 105 21.372 -23.226 -1.172 1.00 14.42 C ATOM 1792 CD1 ILE A 105 21.996 -20.325 -2.345 1.00 12.22 C ATOM 0 H ILE A 105 24.441 -21.029 0.112 1.00 42.22 H new ATOM 0 HA ILE A 105 21.763 -20.608 -0.002 1.00 70.42 H new ATOM 0 HB ILE A 105 23.452 -23.014 -0.750 1.00 35.22 H new ATOM 0 HG12 ILE A 105 23.940 -21.174 -2.132 1.00 64.44 H new ATOM 0 HG13 ILE A 105 22.827 -22.151 -3.068 1.00 64.44 H new ATOM 0 HG21 ILE A 105 21.534 -23.864 -2.041 1.00 14.42 H new ATOM 0 HG22 ILE A 105 21.195 -23.847 -0.294 1.00 14.42 H new ATOM 0 HG23 ILE A 105 20.505 -22.588 -1.346 1.00 14.42 H new ATOM 0 HD11 ILE A 105 22.272 -19.776 -3.246 1.00 12.22 H new ATOM 0 HD12 ILE A 105 20.963 -20.664 -2.428 1.00 12.22 H new ATOM 0 HD13 ILE A 105 22.095 -19.672 -1.478 1.00 12.22 H new ATOM 1804 N PRO A 106 22.453 -23.184 1.991 1.00 72.14 N ATOM 1805 CA PRO A 106 21.937 -24.031 3.070 1.00 74.10 C ATOM 1806 C PRO A 106 21.699 -23.249 4.357 1.00 32.12 C ATOM 1807 O PRO A 106 20.947 -23.685 5.230 1.00 62.51 O ATOM 1808 CB PRO A 106 23.046 -25.066 3.270 1.00 25.13 C ATOM 1809 CG PRO A 106 24.285 -24.391 2.792 1.00 41.40 C ATOM 1810 CD PRO A 106 23.857 -23.488 1.668 1.00 60.10 C ATOM 0 HA PRO A 106 20.970 -24.466 2.819 1.00 74.10 H new ATOM 0 HB2 PRO A 106 23.132 -25.356 4.317 1.00 25.13 H new ATOM 0 HB3 PRO A 106 22.846 -25.975 2.702 1.00 25.13 H new ATOM 0 HG2 PRO A 106 24.753 -23.821 3.594 1.00 41.40 H new ATOM 0 HG3 PRO A 106 25.019 -25.120 2.449 1.00 41.40 H new ATOM 0 HD2 PRO A 106 24.464 -22.584 1.625 1.00 60.10 H new ATOM 0 HD3 PRO A 106 23.949 -23.980 0.700 1.00 60.10 H new ATOM 1818 N CYS A 107 22.343 -22.093 4.469 1.00 53.42 N ATOM 1819 CA CYS A 107 22.201 -21.250 5.651 1.00 42.44 C ATOM 1820 C CYS A 107 20.984 -20.338 5.526 1.00 64.40 C ATOM 1821 O CYS A 107 20.413 -19.906 6.528 1.00 25.43 O ATOM 1822 CB CYS A 107 23.463 -20.410 5.858 1.00 32.41 C ATOM 1823 SG CYS A 107 25.004 -21.341 5.693 1.00 60.33 S ATOM 0 H CYS A 107 22.969 -21.718 3.756 1.00 53.42 H new ATOM 0 HA CYS A 107 22.059 -21.899 6.515 1.00 42.44 H new ATOM 0 HB2 CYS A 107 23.465 -19.593 5.136 1.00 32.41 H new ATOM 0 HB3 CYS A 107 23.428 -19.959 6.850 1.00 32.41 H new ATOM 0 HG CYS A 107 25.255 -21.545 4.434 1.00 60.33 H new ATOM 1829 N LEU A 108 20.593 -20.049 4.290 1.00 43.40 N ATOM 1830 CA LEU A 108 19.445 -19.187 4.033 1.00 14.33 C ATOM 1831 C LEU A 108 18.138 -19.953 4.212 1.00 70.32 C ATOM 1832 O LEU A 108 17.125 -19.386 4.620 1.00 13.23 O ATOM 1833 CB LEU A 108 19.521 -18.609 2.619 1.00 62.31 C ATOM 1834 CG LEU A 108 20.788 -17.822 2.283 1.00 2.32 C ATOM 1835 CD1 LEU A 108 20.470 -16.680 1.331 1.00 42.34 C ATOM 1836 CD2 LEU A 108 21.440 -17.294 3.553 1.00 41.22 C ATOM 0 H LEU A 108 21.054 -20.399 3.450 1.00 43.40 H new ATOM 0 HA LEU A 108 19.468 -18.370 4.754 1.00 14.33 H new ATOM 0 HB2 LEU A 108 19.427 -19.429 1.907 1.00 62.31 H new ATOM 0 HB3 LEU A 108 18.661 -17.956 2.468 1.00 62.31 H new ATOM 0 HG LEU A 108 21.490 -18.494 1.790 1.00 2.32 H new ATOM 0 HD11 LEU A 108 21.384 -16.131 1.103 1.00 42.34 H new ATOM 0 HD12 LEU A 108 20.048 -17.081 0.409 1.00 42.34 H new ATOM 0 HD13 LEU A 108 19.750 -16.008 1.797 1.00 42.34 H new ATOM 0 HD21 LEU A 108 22.340 -16.736 3.295 1.00 41.22 H new ATOM 0 HD22 LEU A 108 20.743 -16.637 4.074 1.00 41.22 H new ATOM 0 HD23 LEU A 108 21.704 -18.130 4.201 1.00 41.22 H new ATOM 1848 N ARG A 109 18.170 -21.246 3.905 1.00 53.01 N ATOM 1849 CA ARG A 109 16.988 -22.091 4.032 1.00 3.34 C ATOM 1850 C ARG A 109 16.813 -22.566 5.472 1.00 71.54 C ATOM 1851 O ARG A 109 15.690 -22.751 5.943 1.00 3.12 O ATOM 1852 CB ARG A 109 17.093 -23.295 3.095 1.00 72.11 C ATOM 1853 CG ARG A 109 18.388 -24.076 3.249 1.00 74.13 C ATOM 1854 CD ARG A 109 18.403 -25.310 2.361 1.00 74.35 C ATOM 1855 NE ARG A 109 17.246 -26.169 2.598 1.00 74.43 N ATOM 1856 CZ ARG A 109 17.137 -26.984 3.642 1.00 53.34 C ATOM 1857 NH1 ARG A 109 18.109 -27.049 4.540 1.00 4.21 N ATOM 1858 NH2 ARG A 109 16.053 -27.735 3.789 1.00 55.55 N ATOM 0 H ARG A 109 19.001 -21.731 3.567 1.00 53.01 H new ATOM 0 HA ARG A 109 16.116 -21.499 3.754 1.00 3.34 H new ATOM 0 HB2 ARG A 109 16.252 -23.963 3.280 1.00 72.11 H new ATOM 0 HB3 ARG A 109 17.006 -22.951 2.064 1.00 72.11 H new ATOM 0 HG2 ARG A 109 19.233 -23.435 2.997 1.00 74.13 H new ATOM 0 HG3 ARG A 109 18.513 -24.374 4.290 1.00 74.13 H new ATOM 0 HD2 ARG A 109 18.419 -25.004 1.315 1.00 74.35 H new ATOM 0 HD3 ARG A 109 19.317 -25.875 2.541 1.00 74.35 H new ATOM 0 HE ARG A 109 16.480 -26.142 1.925 1.00 74.43 H new ATOM 0 HH11 ARG A 109 18.943 -26.473 4.431 1.00 4.21 H new ATOM 0 HH12 ARG A 109 18.023 -27.675 5.340 1.00 4.21 H new ATOM 0 HH21 ARG A 109 15.302 -27.687 3.100 1.00 55.55 H new ATOM 0 HH22 ARG A 109 15.971 -28.360 4.591 1.00 55.55 H new ATOM 1872 N HIS A 110 17.930 -22.764 6.164 1.00 10.15 N ATOM 1873 CA HIS A 110 17.900 -23.218 7.550 1.00 32.32 C ATOM 1874 C HIS A 110 17.102 -22.253 8.421 1.00 0.33 C ATOM 1875 O HIS A 110 16.653 -22.611 9.511 1.00 42.24 O ATOM 1876 CB HIS A 110 19.322 -23.358 8.094 1.00 31.42 C ATOM 1877 CG HIS A 110 19.379 -23.907 9.487 1.00 62.25 C ATOM 1878 ND1 HIS A 110 18.460 -24.809 9.978 1.00 35.33 N ATOM 1879 CD2 HIS A 110 20.255 -23.678 10.493 1.00 34.11 C ATOM 1880 CE1 HIS A 110 18.766 -25.110 11.228 1.00 53.12 C ATOM 1881 NE2 HIS A 110 19.851 -24.437 11.564 1.00 23.02 N ATOM 0 H HIS A 110 18.867 -22.617 5.788 1.00 10.15 H new ATOM 0 HA HIS A 110 17.411 -24.192 7.577 1.00 32.32 H new ATOM 0 HB2 HIS A 110 19.893 -24.009 7.432 1.00 31.42 H new ATOM 0 HB3 HIS A 110 19.807 -22.382 8.077 1.00 31.42 H new ATOM 0 HD2 HIS A 110 21.112 -23.021 10.460 1.00 34.11 H new ATOM 0 HE1 HIS A 110 18.221 -25.790 11.866 1.00 53.12 H new ATOM 0 HE2 HIS A 110 20.314 -24.475 12.472 1.00 23.02 H new ATOM 1889 N ILE A 111 16.930 -21.028 7.935 1.00 65.33 N ATOM 1890 CA ILE A 111 16.187 -20.012 8.669 1.00 31.20 C ATOM 1891 C ILE A 111 14.786 -19.833 8.094 1.00 32.52 C ATOM 1892 O ILE A 111 13.928 -19.200 8.709 1.00 52.10 O ATOM 1893 CB ILE A 111 16.915 -18.656 8.647 1.00 5.51 C ATOM 1894 CG1 ILE A 111 17.381 -18.325 7.228 1.00 42.04 C ATOM 1895 CG2 ILE A 111 18.096 -18.673 9.607 1.00 14.51 C ATOM 1896 CD1 ILE A 111 18.019 -16.959 7.104 1.00 52.14 C ATOM 0 H ILE A 111 17.296 -20.715 7.036 1.00 65.33 H new ATOM 0 HA ILE A 111 16.113 -20.359 9.700 1.00 31.20 H new ATOM 0 HB ILE A 111 16.219 -17.882 8.971 1.00 5.51 H new ATOM 0 HG12 ILE A 111 18.095 -19.081 6.903 1.00 42.04 H new ATOM 0 HG13 ILE A 111 16.528 -18.381 6.552 1.00 42.04 H new ATOM 0 HG21 ILE A 111 18.601 -17.707 9.580 1.00 14.51 H new ATOM 0 HG22 ILE A 111 17.740 -18.868 10.618 1.00 14.51 H new ATOM 0 HG23 ILE A 111 18.794 -19.456 9.311 1.00 14.51 H new ATOM 0 HD11 ILE A 111 18.325 -16.793 6.071 1.00 52.14 H new ATOM 0 HD12 ILE A 111 17.300 -16.194 7.397 1.00 52.14 H new ATOM 0 HD13 ILE A 111 18.892 -16.905 7.754 1.00 52.14 H new ATOM 1908 N ARG A 112 14.561 -20.398 6.912 1.00 12.41 N ATOM 1909 CA ARG A 112 13.263 -20.301 6.254 1.00 24.21 C ATOM 1910 C ARG A 112 12.987 -18.870 5.803 1.00 4.34 C ATOM 1911 O ARG A 112 11.956 -18.290 6.143 1.00 52.34 O ATOM 1912 CB ARG A 112 12.154 -20.774 7.195 1.00 10.34 C ATOM 1913 CG ARG A 112 12.503 -22.040 7.961 1.00 52.32 C ATOM 1914 CD ARG A 112 12.707 -21.757 9.441 1.00 35.41 C ATOM 1915 NE ARG A 112 12.249 -22.864 10.277 1.00 2.03 N ATOM 1916 CZ ARG A 112 12.973 -23.952 10.517 1.00 0.45 C ATOM 1917 NH1 ARG A 112 14.182 -24.078 9.988 1.00 0.40 N ATOM 1918 NH2 ARG A 112 12.488 -24.916 11.289 1.00 11.12 N ATOM 0 H ARG A 112 15.260 -20.927 6.391 1.00 12.41 H new ATOM 0 HA ARG A 112 13.281 -20.943 5.374 1.00 24.21 H new ATOM 0 HB2 ARG A 112 11.930 -19.979 7.907 1.00 10.34 H new ATOM 0 HB3 ARG A 112 11.247 -20.948 6.616 1.00 10.34 H new ATOM 0 HG2 ARG A 112 11.706 -22.773 7.836 1.00 52.32 H new ATOM 0 HG3 ARG A 112 13.409 -22.480 7.545 1.00 52.32 H new ATOM 0 HD2 ARG A 112 13.764 -21.571 9.632 1.00 35.41 H new ATOM 0 HD3 ARG A 112 12.169 -20.849 9.714 1.00 35.41 H new ATOM 0 HE ARG A 112 11.323 -22.798 10.700 1.00 2.03 H new ATOM 0 HH11 ARG A 112 14.559 -23.339 9.395 1.00 0.40 H new ATOM 0 HH12 ARG A 112 14.735 -24.914 10.174 1.00 0.40 H new ATOM 0 HH21 ARG A 112 11.559 -24.822 11.699 1.00 11.12 H new ATOM 0 HH22 ARG A 112 13.044 -25.751 11.473 1.00 11.12 H new ATOM 1932 N ARG A 113 13.916 -18.306 5.038 1.00 23.30 N ATOM 1933 CA ARG A 113 13.774 -16.943 4.543 1.00 50.45 C ATOM 1934 C ARG A 113 13.735 -16.920 3.017 1.00 4.43 C ATOM 1935 O ARG A 113 13.157 -16.015 2.415 1.00 40.41 O ATOM 1936 CB ARG A 113 14.925 -16.071 5.047 1.00 24.04 C ATOM 1937 CG ARG A 113 14.931 -15.883 6.556 1.00 54.44 C ATOM 1938 CD ARG A 113 15.734 -14.657 6.961 1.00 11.21 C ATOM 1939 NE ARG A 113 14.917 -13.446 6.974 1.00 33.51 N ATOM 1940 CZ ARG A 113 14.048 -13.156 7.936 1.00 22.55 C ATOM 1941 NH1 ARG A 113 13.885 -13.985 8.959 1.00 42.03 N ATOM 1942 NH2 ARG A 113 13.341 -12.035 7.878 1.00 71.33 N ATOM 0 H ARG A 113 14.775 -18.773 4.748 1.00 23.30 H new ATOM 0 HA ARG A 113 12.833 -16.543 4.920 1.00 50.45 H new ATOM 0 HB2 ARG A 113 15.870 -16.520 4.741 1.00 24.04 H new ATOM 0 HB3 ARG A 113 14.866 -15.094 4.568 1.00 24.04 H new ATOM 0 HG2 ARG A 113 13.907 -15.784 6.916 1.00 54.44 H new ATOM 0 HG3 ARG A 113 15.352 -16.769 7.032 1.00 54.44 H new ATOM 0 HD2 ARG A 113 16.163 -14.815 7.951 1.00 11.21 H new ATOM 0 HD3 ARG A 113 16.567 -14.525 6.270 1.00 11.21 H new ATOM 0 HE ARG A 113 15.019 -12.787 6.202 1.00 33.51 H new ATOM 0 HH11 ARG A 113 14.428 -14.847 9.008 1.00 42.03 H new ATOM 0 HH12 ARG A 113 13.217 -13.760 9.696 1.00 42.03 H new ATOM 0 HH21 ARG A 113 13.464 -11.394 7.094 1.00 71.33 H new ATOM 0 HH22 ARG A 113 12.674 -11.814 8.617 1.00 71.33 H new ATOM 1956 N ILE A 114 14.355 -17.920 2.400 1.00 41.32 N ATOM 1957 CA ILE A 114 14.391 -18.014 0.946 1.00 72.03 C ATOM 1958 C ILE A 114 14.404 -19.469 0.489 1.00 25.04 C ATOM 1959 O ILE A 114 14.462 -20.386 1.308 1.00 31.53 O ATOM 1960 CB ILE A 114 15.622 -17.294 0.365 1.00 62.10 C ATOM 1961 CG1 ILE A 114 16.887 -18.117 0.617 1.00 3.23 C ATOM 1962 CG2 ILE A 114 15.758 -15.905 0.970 1.00 12.22 C ATOM 1963 CD1 ILE A 114 17.292 -18.979 -0.558 1.00 41.41 C ATOM 0 H ILE A 114 14.839 -18.676 2.884 1.00 41.32 H new ATOM 0 HA ILE A 114 13.488 -17.528 0.576 1.00 72.03 H new ATOM 0 HB ILE A 114 15.488 -17.188 -0.712 1.00 62.10 H new ATOM 0 HG12 ILE A 114 17.707 -17.442 0.861 1.00 3.23 H new ATOM 0 HG13 ILE A 114 16.729 -18.754 1.487 1.00 3.23 H new ATOM 0 HG21 ILE A 114 16.633 -15.409 0.549 1.00 12.22 H new ATOM 0 HG22 ILE A 114 14.866 -15.321 0.744 1.00 12.22 H new ATOM 0 HG23 ILE A 114 15.873 -15.989 2.051 1.00 12.22 H new ATOM 0 HD11 ILE A 114 18.196 -19.534 -0.308 1.00 41.41 H new ATOM 0 HD12 ILE A 114 16.489 -19.679 -0.790 1.00 41.41 H new ATOM 0 HD13 ILE A 114 17.483 -18.346 -1.425 1.00 41.41 H new ATOM 1975 N ARG A 115 14.353 -19.672 -0.823 1.00 20.31 N ATOM 1976 CA ARG A 115 14.360 -21.016 -1.389 1.00 1.13 C ATOM 1977 C ARG A 115 15.283 -21.090 -2.601 1.00 65.43 C ATOM 1978 O ARG A 115 15.770 -20.069 -3.085 1.00 65.45 O ATOM 1979 CB ARG A 115 12.943 -21.432 -1.787 1.00 70.12 C ATOM 1980 CG ARG A 115 12.152 -22.063 -0.653 1.00 30.10 C ATOM 1981 CD ARG A 115 11.331 -23.247 -1.138 1.00 72.52 C ATOM 1982 NE ARG A 115 11.218 -24.289 -0.120 1.00 55.33 N ATOM 1983 CZ ARG A 115 12.232 -25.057 0.261 1.00 72.22 C ATOM 1984 NH1 ARG A 115 13.428 -24.902 -0.288 1.00 45.24 N ATOM 1985 NH2 ARG A 115 12.050 -25.983 1.193 1.00 20.35 N ATOM 0 H ARG A 115 14.306 -18.923 -1.514 1.00 20.31 H new ATOM 0 HA ARG A 115 14.732 -21.702 -0.628 1.00 1.13 H new ATOM 0 HB2 ARG A 115 12.405 -20.556 -2.151 1.00 70.12 H new ATOM 0 HB3 ARG A 115 13.000 -22.138 -2.616 1.00 70.12 H new ATOM 0 HG2 ARG A 115 12.835 -22.389 0.131 1.00 30.10 H new ATOM 0 HG3 ARG A 115 11.491 -21.318 -0.210 1.00 30.10 H new ATOM 0 HD2 ARG A 115 10.335 -22.906 -1.420 1.00 72.52 H new ATOM 0 HD3 ARG A 115 11.791 -23.664 -2.034 1.00 72.52 H new ATOM 0 HE ARG A 115 10.310 -24.434 0.322 1.00 55.33 H new ATOM 0 HH11 ARG A 115 13.572 -24.191 -1.005 1.00 45.24 H new ATOM 0 HH12 ARG A 115 14.205 -25.493 0.007 1.00 45.24 H new ATOM 0 HH21 ARG A 115 11.131 -26.106 1.618 1.00 20.35 H new ATOM 0 HH22 ARG A 115 12.829 -26.573 1.485 1.00 20.35 H new ATOM 1999 N GLU A 116 15.519 -22.306 -3.085 1.00 43.25 N ATOM 2000 CA GLU A 116 16.385 -22.512 -4.240 1.00 63.53 C ATOM 2001 C GLU A 116 15.927 -23.719 -5.055 1.00 40.41 C ATOM 2002 O GLU A 116 15.759 -24.814 -4.520 1.00 43.20 O ATOM 2003 CB GLU A 116 17.835 -22.708 -3.790 1.00 73.14 C ATOM 2004 CG GLU A 116 17.965 -23.243 -2.374 1.00 64.23 C ATOM 2005 CD GLU A 116 17.255 -24.569 -2.184 1.00 15.13 C ATOM 2006 OE1 GLU A 116 17.711 -25.576 -2.764 1.00 34.23 O ATOM 2007 OE2 GLU A 116 16.242 -24.599 -1.454 1.00 14.44 O ATOM 0 H GLU A 116 15.123 -23.162 -2.696 1.00 43.25 H new ATOM 0 HA GLU A 116 16.324 -21.625 -4.870 1.00 63.53 H new ATOM 0 HB2 GLU A 116 18.330 -23.395 -4.476 1.00 73.14 H new ATOM 0 HB3 GLU A 116 18.360 -21.755 -3.859 1.00 73.14 H new ATOM 0 HG2 GLU A 116 19.021 -23.362 -2.130 1.00 64.23 H new ATOM 0 HG3 GLU A 116 17.557 -22.513 -1.675 1.00 64.23 H new ATOM 2014 N GLU A 117 15.726 -23.507 -6.352 1.00 61.41 N ATOM 2015 CA GLU A 117 15.286 -24.577 -7.240 1.00 52.23 C ATOM 2016 C GLU A 117 16.373 -24.926 -8.252 1.00 25.31 C ATOM 2017 O GLU A 117 16.595 -24.196 -9.218 1.00 23.11 O ATOM 2018 CB GLU A 117 14.006 -24.168 -7.972 1.00 52.41 C ATOM 2019 CG GLU A 117 13.204 -25.345 -8.500 1.00 72.13 C ATOM 2020 CD GLU A 117 11.765 -25.332 -8.022 1.00 72.22 C ATOM 2021 OE1 GLU A 117 11.121 -24.265 -8.109 1.00 61.40 O ATOM 2022 OE2 GLU A 117 11.283 -26.388 -7.561 1.00 54.34 O ATOM 0 H GLU A 117 15.861 -22.606 -6.810 1.00 61.41 H new ATOM 0 HA GLU A 117 15.083 -25.458 -6.632 1.00 52.23 H new ATOM 0 HB2 GLU A 117 13.380 -23.587 -7.295 1.00 52.41 H new ATOM 0 HB3 GLU A 117 14.267 -23.514 -8.804 1.00 52.41 H new ATOM 0 HG2 GLU A 117 13.221 -25.332 -9.590 1.00 72.13 H new ATOM 0 HG3 GLU A 117 13.679 -26.274 -8.185 1.00 72.13 H new ATOM 2029 N ARG A 118 17.049 -26.048 -8.022 1.00 11.50 N ATOM 2030 CA ARG A 118 18.115 -26.494 -8.911 1.00 54.43 C ATOM 2031 C ARG A 118 17.546 -26.970 -10.245 1.00 21.02 C ATOM 2032 O ARG A 118 17.006 -28.073 -10.342 1.00 42.33 O ATOM 2033 CB ARG A 118 18.917 -27.619 -8.256 1.00 4.32 C ATOM 2034 CG ARG A 118 20.011 -27.123 -7.323 1.00 72.45 C ATOM 2035 CD ARG A 118 19.430 -26.524 -6.052 1.00 71.33 C ATOM 2036 NE ARG A 118 18.613 -27.486 -5.318 1.00 34.24 N ATOM 2037 CZ ARG A 118 19.118 -28.460 -4.569 1.00 3.00 C ATOM 2038 NH1 ARG A 118 20.432 -28.600 -4.456 1.00 50.22 N ATOM 2039 NH2 ARG A 118 18.309 -29.296 -3.931 1.00 25.13 N ATOM 0 H ARG A 118 16.877 -26.664 -7.228 1.00 11.50 H new ATOM 0 HA ARG A 118 18.776 -25.648 -9.098 1.00 54.43 H new ATOM 0 HB2 ARG A 118 18.237 -28.261 -7.696 1.00 4.32 H new ATOM 0 HB3 ARG A 118 19.367 -28.235 -9.035 1.00 4.32 H new ATOM 0 HG2 ARG A 118 20.674 -27.949 -7.067 1.00 72.45 H new ATOM 0 HG3 ARG A 118 20.616 -26.375 -7.835 1.00 72.45 H new ATOM 0 HD2 ARG A 118 20.241 -26.174 -5.413 1.00 71.33 H new ATOM 0 HD3 ARG A 118 18.825 -25.653 -6.305 1.00 71.33 H new ATOM 0 HE ARG A 118 17.598 -27.406 -5.384 1.00 34.24 H new ATOM 0 HH11 ARG A 118 21.057 -27.959 -4.945 1.00 50.22 H new ATOM 0 HH12 ARG A 118 20.817 -29.349 -3.880 1.00 50.22 H new ATOM 0 HH21 ARG A 118 17.298 -29.191 -4.015 1.00 25.13 H new ATOM 0 HH22 ARG A 118 18.698 -30.043 -3.356 1.00 25.13 H new ATOM 2053 N CYS A 119 17.671 -26.132 -11.268 1.00 73.31 N ATOM 2054 CA CYS A 119 17.168 -26.467 -12.596 1.00 21.11 C ATOM 2055 C CYS A 119 18.305 -26.514 -13.611 1.00 70.45 C ATOM 2056 O CYS A 119 18.541 -25.552 -14.340 1.00 54.42 O ATOM 2057 CB CYS A 119 16.116 -25.449 -13.037 1.00 53.13 C ATOM 2058 SG CYS A 119 14.956 -24.974 -11.734 1.00 74.31 S ATOM 0 H CYS A 119 18.116 -25.216 -11.204 1.00 73.31 H new ATOM 0 HA CYS A 119 16.709 -27.454 -12.546 1.00 21.11 H new ATOM 0 HB2 CYS A 119 16.622 -24.555 -13.402 1.00 53.13 H new ATOM 0 HB3 CYS A 119 15.555 -25.862 -13.875 1.00 53.13 H new ATOM 0 HG CYS A 119 14.769 -23.688 -11.767 1.00 74.31 H new ATOM 2064 N GLY A 120 19.009 -27.642 -13.653 1.00 14.15 N ATOM 2065 CA GLY A 120 20.114 -27.793 -14.581 1.00 31.22 C ATOM 2066 C GLY A 120 21.273 -26.871 -14.257 1.00 70.53 C ATOM 2067 O GLY A 120 21.628 -26.670 -13.096 1.00 10.51 O ATOM 0 H GLY A 120 18.833 -28.454 -13.061 1.00 14.15 H new ATOM 0 HA2 GLY A 120 20.460 -28.826 -14.564 1.00 31.22 H new ATOM 0 HA3 GLY A 120 19.765 -27.590 -15.593 1.00 31.22 H new ATOM 2071 N PRO A 121 21.885 -26.295 -15.302 1.00 41.03 N ATOM 2072 CA PRO A 121 23.021 -25.381 -15.149 1.00 20.21 C ATOM 2073 C PRO A 121 22.614 -24.050 -14.527 1.00 51.55 C ATOM 2074 O PRO A 121 23.441 -23.153 -14.358 1.00 25.13 O ATOM 2075 CB PRO A 121 23.507 -25.175 -16.586 1.00 14.52 C ATOM 2076 CG PRO A 121 22.308 -25.433 -17.432 1.00 32.14 C ATOM 2077 CD PRO A 121 21.515 -26.490 -16.714 1.00 60.42 C ATOM 0 HA PRO A 121 23.782 -25.785 -14.482 1.00 20.21 H new ATOM 0 HB2 PRO A 121 23.886 -24.164 -16.735 1.00 14.52 H new ATOM 0 HB3 PRO A 121 24.319 -25.859 -16.831 1.00 14.52 H new ATOM 0 HG2 PRO A 121 21.720 -24.525 -17.562 1.00 32.14 H new ATOM 0 HG3 PRO A 121 22.598 -25.771 -18.427 1.00 32.14 H new ATOM 0 HD2 PRO A 121 20.444 -26.363 -16.870 1.00 60.42 H new ATOM 0 HD3 PRO A 121 21.772 -27.491 -17.062 1.00 60.42 H new ATOM 2085 N LEU A 122 21.335 -23.926 -14.189 1.00 62.24 N ATOM 2086 CA LEU A 122 20.818 -22.703 -13.586 1.00 30.04 C ATOM 2087 C LEU A 122 20.273 -22.975 -12.187 1.00 53.52 C ATOM 2088 O LEU A 122 20.252 -24.117 -11.727 1.00 40.24 O ATOM 2089 CB LEU A 122 19.721 -22.101 -14.465 1.00 72.02 C ATOM 2090 CG LEU A 122 20.090 -21.864 -15.930 1.00 75.01 C ATOM 2091 CD1 LEU A 122 18.864 -22.009 -16.819 1.00 62.02 C ATOM 2092 CD2 LEU A 122 20.719 -20.490 -16.106 1.00 53.31 C ATOM 0 H LEU A 122 20.637 -24.658 -14.322 1.00 62.24 H new ATOM 0 HA LEU A 122 21.640 -21.992 -13.504 1.00 30.04 H new ATOM 0 HB2 LEU A 122 18.854 -22.760 -14.432 1.00 72.02 H new ATOM 0 HB3 LEU A 122 19.415 -21.150 -14.030 1.00 72.02 H new ATOM 0 HG LEU A 122 20.820 -22.616 -16.227 1.00 75.01 H new ATOM 0 HD11 LEU A 122 19.145 -21.837 -17.858 1.00 62.02 H new ATOM 0 HD12 LEU A 122 18.456 -23.015 -16.715 1.00 62.02 H new ATOM 0 HD13 LEU A 122 18.111 -21.280 -16.522 1.00 62.02 H new ATOM 0 HD21 LEU A 122 20.975 -20.339 -17.155 1.00 53.31 H new ATOM 0 HD22 LEU A 122 20.012 -19.723 -15.791 1.00 53.31 H new ATOM 0 HD23 LEU A 122 21.622 -20.423 -15.499 1.00 53.31 H new ATOM 2104 N THR A 123 19.829 -21.917 -11.515 1.00 2.13 N ATOM 2105 CA THR A 123 19.283 -22.041 -10.169 1.00 55.34 C ATOM 2106 C THR A 123 18.452 -20.818 -9.799 1.00 14.41 C ATOM 2107 O THR A 123 18.949 -19.691 -9.806 1.00 72.34 O ATOM 2108 CB THR A 123 20.399 -22.225 -9.124 1.00 52.31 C ATOM 2109 OG1 THR A 123 21.414 -23.093 -9.639 1.00 60.22 O ATOM 2110 CG2 THR A 123 19.840 -22.800 -7.831 1.00 42.14 C ATOM 0 H THR A 123 19.837 -20.965 -11.881 1.00 2.13 H new ATOM 0 HA THR A 123 18.645 -22.925 -10.167 1.00 55.34 H new ATOM 0 HB THR A 123 20.832 -21.248 -8.911 1.00 52.31 H new ATOM 0 HG1 THR A 123 20.998 -23.803 -10.172 1.00 60.22 H new ATOM 0 HG21 THR A 123 20.647 -22.921 -7.108 1.00 42.14 H new ATOM 0 HG22 THR A 123 19.089 -22.122 -7.426 1.00 42.14 H new ATOM 0 HG23 THR A 123 19.384 -23.769 -8.031 1.00 42.14 H new ATOM 2118 N PHE A 124 17.183 -21.046 -9.474 1.00 43.12 N ATOM 2119 CA PHE A 124 16.283 -19.962 -9.101 1.00 13.45 C ATOM 2120 C PHE A 124 16.212 -19.811 -7.584 1.00 24.23 C ATOM 2121 O PHE A 124 16.676 -20.677 -6.841 1.00 1.21 O ATOM 2122 CB PHE A 124 14.883 -20.215 -9.665 1.00 22.34 C ATOM 2123 CG PHE A 124 14.868 -20.446 -11.149 1.00 12.13 C ATOM 2124 CD1 PHE A 124 15.373 -21.619 -11.686 1.00 45.31 C ATOM 2125 CD2 PHE A 124 14.347 -19.490 -12.006 1.00 63.33 C ATOM 2126 CE1 PHE A 124 15.361 -21.833 -13.051 1.00 42.14 C ATOM 2127 CE2 PHE A 124 14.332 -19.699 -13.373 1.00 31.24 C ATOM 2128 CZ PHE A 124 14.839 -20.873 -13.896 1.00 14.44 C ATOM 0 H PHE A 124 16.756 -21.972 -9.462 1.00 43.12 H new ATOM 0 HA PHE A 124 16.676 -19.037 -9.523 1.00 13.45 H new ATOM 0 HB2 PHE A 124 14.450 -21.082 -9.166 1.00 22.34 H new ATOM 0 HB3 PHE A 124 14.246 -19.362 -9.432 1.00 22.34 H new ATOM 0 HD1 PHE A 124 15.781 -22.374 -11.031 1.00 45.31 H new ATOM 0 HD2 PHE A 124 13.948 -18.571 -11.602 1.00 63.33 H new ATOM 0 HE1 PHE A 124 15.760 -22.751 -13.457 1.00 42.14 H new ATOM 0 HE2 PHE A 124 13.925 -18.946 -14.031 1.00 31.24 H new ATOM 0 HZ PHE A 124 14.827 -21.040 -14.963 1.00 14.44 H new ATOM 2138 N TYR A 125 15.630 -18.706 -7.131 1.00 60.43 N ATOM 2139 CA TYR A 125 15.501 -18.440 -5.704 1.00 2.04 C ATOM 2140 C TYR A 125 14.260 -17.600 -5.416 1.00 24.21 C ATOM 2141 O TYR A 125 14.148 -16.462 -5.871 1.00 51.22 O ATOM 2142 CB TYR A 125 16.748 -17.723 -5.183 1.00 11.03 C ATOM 2143 CG TYR A 125 18.043 -18.386 -5.592 1.00 64.43 C ATOM 2144 CD1 TYR A 125 18.566 -19.446 -4.860 1.00 52.32 C ATOM 2145 CD2 TYR A 125 18.746 -17.954 -6.710 1.00 54.42 C ATOM 2146 CE1 TYR A 125 19.750 -20.055 -5.230 1.00 55.51 C ATOM 2147 CE2 TYR A 125 19.929 -18.557 -7.088 1.00 61.33 C ATOM 2148 CZ TYR A 125 20.427 -19.607 -6.345 1.00 61.10 C ATOM 2149 OH TYR A 125 21.607 -20.210 -6.718 1.00 35.35 O ATOM 0 H TYR A 125 15.240 -17.980 -7.732 1.00 60.43 H new ATOM 0 HA TYR A 125 15.398 -19.396 -5.190 1.00 2.04 H new ATOM 0 HB2 TYR A 125 16.745 -16.696 -5.547 1.00 11.03 H new ATOM 0 HB3 TYR A 125 16.702 -17.676 -4.095 1.00 11.03 H new ATOM 0 HD1 TYR A 125 18.038 -19.800 -3.987 1.00 52.32 H new ATOM 0 HD2 TYR A 125 18.360 -17.132 -7.294 1.00 54.42 H new ATOM 0 HE1 TYR A 125 20.143 -20.877 -4.650 1.00 55.51 H new ATOM 0 HE2 TYR A 125 20.462 -18.209 -7.961 1.00 61.33 H new ATOM 0 HH TYR A 125 21.700 -21.066 -6.249 1.00 35.35 H new ATOM 2159 N TYR A 126 13.332 -18.170 -4.657 1.00 35.44 N ATOM 2160 CA TYR A 126 12.097 -17.477 -4.308 1.00 43.44 C ATOM 2161 C TYR A 126 11.936 -17.378 -2.794 1.00 43.25 C ATOM 2162 O TYR A 126 12.560 -18.113 -2.029 1.00 4.44 O ATOM 2163 CB TYR A 126 10.893 -18.199 -4.914 1.00 70.14 C ATOM 2164 CG TYR A 126 11.110 -19.683 -5.106 1.00 24.15 C ATOM 2165 CD1 TYR A 126 11.711 -20.174 -6.258 1.00 60.23 C ATOM 2166 CD2 TYR A 126 10.715 -20.594 -4.134 1.00 75.22 C ATOM 2167 CE1 TYR A 126 11.911 -21.529 -6.438 1.00 22.32 C ATOM 2168 CE2 TYR A 126 10.912 -21.951 -4.304 1.00 40.35 C ATOM 2169 CZ TYR A 126 11.510 -22.413 -5.458 1.00 24.42 C ATOM 2170 OH TYR A 126 11.708 -23.764 -5.632 1.00 34.12 O ATOM 0 H TYR A 126 13.411 -19.111 -4.271 1.00 35.44 H new ATOM 0 HA TYR A 126 12.150 -16.468 -4.716 1.00 43.44 H new ATOM 0 HB2 TYR A 126 10.027 -18.047 -4.270 1.00 70.14 H new ATOM 0 HB3 TYR A 126 10.656 -17.747 -5.877 1.00 70.14 H new ATOM 0 HD1 TYR A 126 12.027 -19.484 -7.026 1.00 60.23 H new ATOM 0 HD2 TYR A 126 10.246 -20.235 -3.230 1.00 75.22 H new ATOM 0 HE1 TYR A 126 12.379 -21.894 -7.341 1.00 22.32 H new ATOM 0 HE2 TYR A 126 10.600 -22.646 -3.538 1.00 40.35 H new ATOM 0 HH TYR A 126 11.370 -24.248 -4.849 1.00 34.12 H new ATOM 2180 N PRO A 127 11.078 -16.447 -2.351 1.00 72.43 N ATOM 2181 CA PRO A 127 10.812 -16.230 -0.926 1.00 44.11 C ATOM 2182 C PRO A 127 10.039 -17.384 -0.298 1.00 13.12 C ATOM 2183 O PRO A 127 8.811 -17.430 -0.364 1.00 1.21 O ATOM 2184 CB PRO A 127 9.970 -14.952 -0.913 1.00 44.32 C ATOM 2185 CG PRO A 127 9.319 -14.913 -2.253 1.00 23.44 C ATOM 2186 CD PRO A 127 10.300 -15.537 -3.208 1.00 14.45 C ATOM 0 HA PRO A 127 11.732 -16.156 -0.346 1.00 44.11 H new ATOM 0 HB2 PRO A 127 9.229 -14.974 -0.114 1.00 44.32 H new ATOM 0 HB3 PRO A 127 10.590 -14.071 -0.749 1.00 44.32 H new ATOM 0 HG2 PRO A 127 8.378 -15.463 -2.246 1.00 23.44 H new ATOM 0 HG3 PRO A 127 9.088 -13.889 -2.545 1.00 23.44 H new ATOM 0 HD2 PRO A 127 9.794 -16.075 -4.010 1.00 14.45 H new ATOM 0 HD3 PRO A 127 10.935 -14.787 -3.679 1.00 14.45 H new ATOM 2194 N GLY A 128 10.765 -18.315 0.313 1.00 65.13 N ATOM 2195 CA GLY A 128 10.130 -19.456 0.944 1.00 33.44 C ATOM 2196 C GLY A 128 9.194 -20.192 0.006 1.00 55.41 C ATOM 2197 O GLY A 128 9.128 -19.883 -1.184 1.00 30.01 O ATOM 0 H GLY A 128 11.783 -18.299 0.382 1.00 65.13 H new ATOM 0 HA2 GLY A 128 10.897 -20.144 1.300 1.00 33.44 H new ATOM 0 HA3 GLY A 128 9.573 -19.120 1.818 1.00 33.44 H new ATOM 2201 N SER A 129 8.468 -21.168 0.541 1.00 21.33 N ATOM 2202 CA SER A 129 7.535 -21.954 -0.258 1.00 51.40 C ATOM 2203 C SER A 129 6.092 -21.643 0.130 1.00 44.24 C ATOM 2204 O SER A 129 5.182 -21.740 -0.693 1.00 42.24 O ATOM 2205 CB SER A 129 7.812 -23.448 -0.082 1.00 13.12 C ATOM 2206 OG SER A 129 6.633 -24.211 -0.275 1.00 65.15 O ATOM 0 H SER A 129 8.508 -21.434 1.525 1.00 21.33 H new ATOM 0 HA SER A 129 7.677 -21.687 -1.305 1.00 51.40 H new ATOM 0 HB2 SER A 129 8.575 -23.766 -0.792 1.00 13.12 H new ATOM 0 HB3 SER A 129 8.209 -23.632 0.916 1.00 13.12 H new ATOM 0 HG SER A 129 6.836 -25.163 -0.159 1.00 65.15 H new ATOM 2212 N SER A 130 5.892 -21.269 1.389 1.00 3.23 N ATOM 2213 CA SER A 130 4.561 -20.947 1.889 1.00 74.12 C ATOM 2214 C SER A 130 4.186 -19.508 1.549 1.00 51.23 C ATOM 2215 O SER A 130 4.884 -18.569 1.926 1.00 2.55 O ATOM 2216 CB SER A 130 4.496 -21.159 3.403 1.00 52.14 C ATOM 2217 OG SER A 130 3.155 -21.294 3.842 1.00 42.14 O ATOM 0 H SER A 130 6.635 -21.181 2.082 1.00 3.23 H new ATOM 0 HA SER A 130 3.847 -21.614 1.405 1.00 74.12 H new ATOM 0 HB2 SER A 130 5.062 -22.051 3.673 1.00 52.14 H new ATOM 0 HB3 SER A 130 4.966 -20.317 3.912 1.00 52.14 H new ATOM 0 HG SER A 130 3.141 -21.430 4.812 1.00 42.14 H new TER 2223 SER A 130