USER MOD reduce.3.24.130724 H: found=0, std=0, add=928, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 928 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 17 TYR OH : rot -162:sc= 1.35 USER MOD Set 1.2: A 86 LYS NZ :NH3+ -165:sc= 1.93 (180deg=1.01) USER MOD Set 1.3: A 88 TYR OH : rot 34:sc= 2.05 USER MOD Set 2.1: A 39 HIS : no HD1:sc= 0.364 K(o=0.36,f=-3.4!) USER MOD Set 2.2: A 100 SER OG : rot 180:sc= 0 USER MOD Set 3.1: A 15 LYS NZ :NH3+ -144:sc= 1.82 (180deg=0.597) USER MOD Set 3.2: A 16 ASN : amide:sc= -0.64 K(o=1.2,f=-7!) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 10 THR OG1 : rot 180:sc= 0.00109 USER MOD Single : A 18 ASN : amide:sc= 0 X(o=0,f=-0.04) USER MOD Single : A 25 THR OG1 : rot -23:sc= 1.22 USER MOD Single : A 26 LYS NZ :NH3+ 169:sc= -0.16 (180deg=-0.518!) USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 CYS SG : rot -140:sc= -3.08! USER MOD Single : A 40 CYS SG : rot 157:sc= -2.03! USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ -158:sc= 1.83 (180deg=0.232!) USER MOD Single : A 47 TYR OH : rot 180:sc= -0.619 USER MOD Single : A 54 TYR OH : rot -136:sc= 0.695 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 SER OG : rot 180:sc= 0.449 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 LYS NZ :NH3+ -161:sc= 1.26 (180deg=0.815) USER MOD Single : A 71 THR OG1 : rot 150:sc= 0 USER MOD Single : A 73 ASN : amide:sc= -0.552 X(o=-0.55,f=-0.4) USER MOD Single : A 80 GLN :FLIP amide:sc= -0.119 F(o=-2!,f=-0.12) USER MOD Single : A 84 THR OG1 : rot -2:sc= -1.51! USER MOD Single : A 93 LYS NZ :NH3+ 150:sc= 1.19 (180deg=0.529) USER MOD Single : A 95 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 98 THR OG1 : rot 180:sc= 0 USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 102 SER OG : rot -118:sc= 1.31 USER MOD Single : A 104 THR OG1 : rot 180:sc= -0.241 USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 115 ASN : amide:sc= -1.8 K(o=-1.8,f=-4.4!) USER MOD Single : A 117 LYS NZ :NH3+ -147:sc= 0.248 (180deg=-1.68!) USER MOD Single : A 118 TYR OH : rot -142:sc= 0.951 USER MOD Single : A 119 LYS NZ :NH3+ 175:sc= 1.08 (180deg=1.05) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 7.215 18.831 -2.076 1.00 0.00 N ATOM 2 CA GLY A 1 6.444 18.085 -1.082 1.00 0.00 C ATOM 3 C GLY A 1 6.514 16.595 -1.353 1.00 0.00 C ATOM 4 O GLY A 1 7.582 16.016 -1.238 1.00 0.00 O ATOM 0 H1 GLY A 1 7.153 19.849 -1.871 1.00 0.00 H new ATOM 0 H2 GLY A 1 8.210 18.531 -2.040 1.00 0.00 H new ATOM 0 H3 GLY A 1 6.831 18.645 -3.024 1.00 0.00 H new ATOM 0 HA2 GLY A 1 6.828 18.296 -0.084 1.00 0.00 H new ATOM 0 HA3 GLY A 1 5.405 18.414 -1.100 1.00 0.00 H new ATOM 10 N PRO A 2 5.392 15.934 -1.730 1.00 0.00 N ATOM 11 CA PRO A 2 5.376 14.487 -2.038 1.00 0.00 C ATOM 12 C PRO A 2 6.017 14.140 -3.402 1.00 0.00 C ATOM 13 O PRO A 2 6.100 12.960 -3.782 1.00 0.00 O ATOM 14 CB PRO A 2 3.875 14.148 -2.081 1.00 0.00 C ATOM 15 CG PRO A 2 3.166 15.339 -1.533 1.00 0.00 C ATOM 16 CD PRO A 2 4.039 16.512 -1.830 1.00 0.00 C ATOM 0 HA PRO A 2 5.953 13.927 -1.302 1.00 0.00 H new ATOM 0 HB2 PRO A 2 3.552 13.937 -3.101 1.00 0.00 H new ATOM 0 HB3 PRO A 2 3.659 13.259 -1.488 1.00 0.00 H new ATOM 0 HG2 PRO A 2 2.186 15.456 -1.995 1.00 0.00 H new ATOM 0 HG3 PRO A 2 3.003 15.236 -0.460 1.00 0.00 H new ATOM 0 HD2 PRO A 2 3.845 16.922 -2.821 1.00 0.00 H new ATOM 0 HD3 PRO A 2 3.889 17.321 -1.115 1.00 0.00 H new ATOM 24 N LEU A 3 6.438 15.184 -4.132 1.00 0.00 N ATOM 25 CA LEU A 3 7.063 15.088 -5.474 1.00 0.00 C ATOM 26 C LEU A 3 6.036 14.702 -6.538 1.00 0.00 C ATOM 27 O LEU A 3 6.383 14.369 -7.673 1.00 0.00 O ATOM 28 CB LEU A 3 8.311 14.150 -5.538 1.00 0.00 C ATOM 29 CG LEU A 3 9.615 14.589 -4.813 1.00 0.00 C ATOM 30 CD1 LEU A 3 10.053 15.980 -5.234 1.00 0.00 C ATOM 31 CD2 LEU A 3 9.511 14.479 -3.300 1.00 0.00 C ATOM 0 H LEU A 3 6.354 16.146 -3.803 1.00 0.00 H new ATOM 0 HA LEU A 3 7.437 16.089 -5.687 1.00 0.00 H new ATOM 0 HB2 LEU A 3 8.018 13.182 -5.132 1.00 0.00 H new ATOM 0 HB3 LEU A 3 8.554 13.995 -6.589 1.00 0.00 H new ATOM 0 HG LEU A 3 10.387 13.887 -5.127 1.00 0.00 H new ATOM 0 HD11 LEU A 3 10.967 16.249 -4.705 1.00 0.00 H new ATOM 0 HD12 LEU A 3 10.238 15.994 -6.308 1.00 0.00 H new ATOM 0 HD13 LEU A 3 9.269 16.697 -4.992 1.00 0.00 H new ATOM 0 HD21 LEU A 3 10.449 14.798 -2.847 1.00 0.00 H new ATOM 0 HD22 LEU A 3 8.701 15.115 -2.944 1.00 0.00 H new ATOM 0 HD23 LEU A 3 9.308 13.444 -3.024 1.00 0.00 H new ATOM 43 N GLY A 4 4.786 14.812 -6.174 1.00 0.00 N ATOM 44 CA GLY A 4 3.699 14.491 -7.049 1.00 0.00 C ATOM 45 C GLY A 4 2.486 15.246 -6.608 1.00 0.00 C ATOM 46 O GLY A 4 2.388 15.602 -5.423 1.00 0.00 O ATOM 0 H GLY A 4 4.495 15.131 -5.250 1.00 0.00 H new ATOM 0 HA2 GLY A 4 3.952 14.751 -8.077 1.00 0.00 H new ATOM 0 HA3 GLY A 4 3.504 13.419 -7.030 1.00 0.00 H new ATOM 50 N SER A 5 1.573 15.500 -7.511 1.00 0.00 N ATOM 51 CA SER A 5 0.409 16.267 -7.187 1.00 0.00 C ATOM 52 C SER A 5 -0.579 15.418 -6.384 1.00 0.00 C ATOM 53 O SER A 5 -0.929 15.768 -5.257 1.00 0.00 O ATOM 54 CB SER A 5 -0.236 16.854 -8.457 1.00 0.00 C ATOM 55 OG SER A 5 -1.274 17.786 -8.139 1.00 0.00 O ATOM 0 H SER A 5 1.619 15.183 -8.479 1.00 0.00 H new ATOM 0 HA SER A 5 0.707 17.109 -6.563 1.00 0.00 H new ATOM 0 HB2 SER A 5 0.527 17.349 -9.057 1.00 0.00 H new ATOM 0 HB3 SER A 5 -0.645 16.047 -9.064 1.00 0.00 H new ATOM 0 HG SER A 5 -1.660 18.140 -8.967 1.00 0.00 H new ATOM 61 N GLU A 6 -1.006 14.294 -6.925 1.00 0.00 N ATOM 62 CA GLU A 6 -1.928 13.468 -6.196 1.00 0.00 C ATOM 63 C GLU A 6 -1.331 12.118 -5.869 1.00 0.00 C ATOM 64 O GLU A 6 -1.348 11.189 -6.696 1.00 0.00 O ATOM 65 CB GLU A 6 -3.283 13.320 -6.906 1.00 0.00 C ATOM 66 CG GLU A 6 -4.308 12.543 -6.083 1.00 0.00 C ATOM 67 CD GLU A 6 -5.669 12.509 -6.710 1.00 0.00 C ATOM 68 OE1 GLU A 6 -6.468 13.416 -6.447 1.00 0.00 O ATOM 69 OE2 GLU A 6 -5.975 11.569 -7.475 1.00 0.00 O1- ATOM 0 H GLU A 6 -0.734 13.944 -7.844 1.00 0.00 H new ATOM 0 HA GLU A 6 -2.121 13.985 -5.256 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -3.680 14.310 -7.129 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -3.133 12.815 -7.860 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -3.954 11.522 -5.945 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -4.383 12.991 -5.092 1.00 0.00 H new ATOM 76 N GLY A 7 -0.750 12.032 -4.705 1.00 0.00 N ATOM 77 CA GLY A 7 -0.270 10.783 -4.226 1.00 0.00 C ATOM 78 C GLY A 7 1.194 10.509 -4.526 1.00 0.00 C ATOM 79 O GLY A 7 1.552 10.238 -5.684 1.00 0.00 O ATOM 0 H GLY A 7 -0.601 12.820 -4.074 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -0.420 10.741 -3.147 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -0.872 9.986 -4.663 1.00 0.00 H new ATOM 83 N PRO A 8 2.089 10.620 -3.511 1.00 0.00 N ATOM 84 CA PRO A 8 3.471 10.136 -3.627 1.00 0.00 C ATOM 85 C PRO A 8 3.408 8.627 -3.754 1.00 0.00 C ATOM 86 O PRO A 8 4.121 7.997 -4.536 1.00 0.00 O ATOM 87 CB PRO A 8 4.090 10.485 -2.282 1.00 0.00 C ATOM 88 CG PRO A 8 2.955 10.719 -1.375 1.00 0.00 C ATOM 89 CD PRO A 8 1.842 11.257 -2.214 1.00 0.00 C ATOM 0 HA PRO A 8 4.022 10.554 -4.469 1.00 0.00 H new ATOM 0 HB2 PRO A 8 4.722 9.674 -1.919 1.00 0.00 H new ATOM 0 HB3 PRO A 8 4.720 11.371 -2.358 1.00 0.00 H new ATOM 0 HG2 PRO A 8 2.656 9.794 -0.882 1.00 0.00 H new ATOM 0 HG3 PRO A 8 3.225 11.426 -0.590 1.00 0.00 H new ATOM 0 HD2 PRO A 8 0.865 10.992 -1.811 1.00 0.00 H new ATOM 0 HD3 PRO A 8 1.874 12.344 -2.283 1.00 0.00 H new ATOM 97 N VAL A 9 2.517 8.084 -2.957 1.00 0.00 N ATOM 98 CA VAL A 9 2.130 6.728 -2.986 1.00 0.00 C ATOM 99 C VAL A 9 1.381 6.516 -4.286 1.00 0.00 C ATOM 100 O VAL A 9 0.557 7.364 -4.674 1.00 0.00 O ATOM 101 CB VAL A 9 1.236 6.386 -1.727 1.00 0.00 C ATOM 102 CG1 VAL A 9 0.211 7.461 -1.437 1.00 0.00 C ATOM 103 CG2 VAL A 9 0.518 5.087 -1.901 1.00 0.00 C ATOM 0 H VAL A 9 2.028 8.621 -2.240 1.00 0.00 H new ATOM 0 HA VAL A 9 2.993 6.063 -2.941 1.00 0.00 H new ATOM 0 HB VAL A 9 1.927 6.319 -0.887 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -0.376 7.178 -0.564 1.00 0.00 H new ATOM 0 HG12 VAL A 9 0.719 8.405 -1.242 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -0.449 7.576 -2.297 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -0.086 4.884 -1.017 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -0.128 5.143 -2.777 1.00 0.00 H new ATOM 0 HG23 VAL A 9 1.244 4.285 -2.036 1.00 0.00 H new ATOM 113 N THR A 10 1.706 5.468 -4.977 1.00 0.00 N ATOM 114 CA THR A 10 1.123 5.191 -6.238 1.00 0.00 C ATOM 115 C THR A 10 -0.362 4.889 -6.075 1.00 0.00 C ATOM 116 O THR A 10 -0.751 3.839 -5.568 1.00 0.00 O ATOM 117 CB THR A 10 1.855 4.011 -6.898 1.00 0.00 C ATOM 118 OG1 THR A 10 3.271 4.257 -6.812 1.00 0.00 O ATOM 119 CG2 THR A 10 1.465 3.885 -8.368 1.00 0.00 C ATOM 0 H THR A 10 2.392 4.778 -4.672 1.00 0.00 H new ATOM 0 HA THR A 10 1.221 6.065 -6.882 1.00 0.00 H new ATOM 0 HB THR A 10 1.583 3.088 -6.386 1.00 0.00 H new ATOM 0 HG1 THR A 10 3.758 3.514 -7.226 1.00 0.00 H new ATOM 0 HG21 THR A 10 1.995 3.044 -8.814 1.00 0.00 H new ATOM 0 HG22 THR A 10 0.390 3.720 -8.446 1.00 0.00 H new ATOM 0 HG23 THR A 10 1.730 4.802 -8.895 1.00 0.00 H new ATOM 127 N VAL A 11 -1.181 5.856 -6.404 1.00 0.00 N ATOM 128 CA VAL A 11 -2.594 5.665 -6.375 1.00 0.00 C ATOM 129 C VAL A 11 -2.949 4.841 -7.585 1.00 0.00 C ATOM 130 O VAL A 11 -2.952 5.323 -8.720 1.00 0.00 O ATOM 131 CB VAL A 11 -3.379 6.992 -6.368 1.00 0.00 C ATOM 132 CG1 VAL A 11 -4.884 6.738 -6.274 1.00 0.00 C ATOM 133 CG2 VAL A 11 -2.920 7.895 -5.229 1.00 0.00 C ATOM 0 H VAL A 11 -0.883 6.787 -6.696 1.00 0.00 H new ATOM 0 HA VAL A 11 -2.872 5.160 -5.450 1.00 0.00 H new ATOM 0 HB VAL A 11 -3.175 7.501 -7.310 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -5.414 7.690 -6.271 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -5.207 6.146 -7.130 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -5.105 6.197 -5.354 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -3.491 8.824 -5.248 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -3.081 7.390 -4.277 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -1.860 8.118 -5.346 1.00 0.00 H new ATOM 143 N VAL A 12 -3.174 3.619 -7.324 1.00 0.00 N ATOM 144 CA VAL A 12 -3.410 2.596 -8.275 1.00 0.00 C ATOM 145 C VAL A 12 -4.898 2.394 -8.360 1.00 0.00 C ATOM 146 O VAL A 12 -5.549 2.250 -7.357 1.00 0.00 O ATOM 147 CB VAL A 12 -2.727 1.309 -7.711 1.00 0.00 C ATOM 148 CG1 VAL A 12 -3.080 0.086 -8.464 1.00 0.00 C ATOM 149 CG2 VAL A 12 -1.228 1.458 -7.718 1.00 0.00 C ATOM 0 H VAL A 12 -3.202 3.272 -6.365 1.00 0.00 H new ATOM 0 HA VAL A 12 -3.019 2.835 -9.264 1.00 0.00 H new ATOM 0 HB VAL A 12 -3.099 1.198 -6.692 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -2.574 -0.772 -8.022 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -4.158 -0.068 -8.423 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -2.769 0.196 -9.503 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -0.770 0.552 -7.322 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -0.883 1.622 -8.739 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -0.944 2.309 -7.098 1.00 0.00 H new ATOM 159 N VAL A 13 -5.434 2.460 -9.532 1.00 0.00 N ATOM 160 CA VAL A 13 -6.834 2.167 -9.715 1.00 0.00 C ATOM 161 C VAL A 13 -7.038 0.650 -9.731 1.00 0.00 C ATOM 162 O VAL A 13 -6.056 -0.108 -9.760 1.00 0.00 O ATOM 163 CB VAL A 13 -7.387 2.791 -11.012 1.00 0.00 C ATOM 164 CG1 VAL A 13 -7.367 4.293 -10.920 1.00 0.00 C ATOM 165 CG2 VAL A 13 -6.585 2.338 -12.212 1.00 0.00 C ATOM 0 H VAL A 13 -4.933 2.713 -10.383 1.00 0.00 H new ATOM 0 HA VAL A 13 -7.384 2.607 -8.883 1.00 0.00 H new ATOM 0 HB VAL A 13 -8.417 2.456 -11.136 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -7.760 4.719 -11.843 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -7.983 4.614 -10.080 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -6.343 4.635 -10.770 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -6.994 2.791 -13.115 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -5.546 2.643 -12.091 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -6.637 1.252 -12.295 1.00 0.00 H new ATOM 175 N ALA A 14 -8.285 0.202 -9.766 1.00 0.00 N ATOM 176 CA ALA A 14 -8.586 -1.236 -9.748 1.00 0.00 C ATOM 177 C ALA A 14 -8.094 -1.906 -11.010 1.00 0.00 C ATOM 178 O ALA A 14 -7.954 -3.123 -11.063 1.00 0.00 O ATOM 179 CB ALA A 14 -10.058 -1.500 -9.529 1.00 0.00 C ATOM 0 H ALA A 14 -9.107 0.805 -9.807 1.00 0.00 H new ATOM 0 HA ALA A 14 -8.052 -1.670 -8.903 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -10.238 -2.575 -9.522 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -10.366 -1.075 -8.574 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -10.634 -1.041 -10.333 1.00 0.00 H new ATOM 185 N LYS A 15 -7.834 -1.109 -12.017 1.00 0.00 N ATOM 186 CA LYS A 15 -7.196 -1.596 -13.215 1.00 0.00 C ATOM 187 C LYS A 15 -5.772 -2.050 -12.916 1.00 0.00 C ATOM 188 O LYS A 15 -5.366 -3.142 -13.272 1.00 0.00 O ATOM 189 CB LYS A 15 -7.149 -0.511 -14.323 1.00 0.00 C ATOM 190 CG LYS A 15 -6.036 -0.769 -15.333 1.00 0.00 C ATOM 191 CD LYS A 15 -5.973 0.236 -16.452 1.00 0.00 C ATOM 192 CE LYS A 15 -4.835 -0.113 -17.417 1.00 0.00 C ATOM 193 NZ LYS A 15 -3.504 -0.146 -16.746 1.00 0.00 N1+ ATOM 0 H LYS A 15 -8.056 -0.114 -12.030 1.00 0.00 H new ATOM 0 HA LYS A 15 -7.790 -2.437 -13.571 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -8.108 -0.481 -14.841 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -7.003 0.467 -13.865 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -5.080 -0.774 -14.810 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -6.171 -1.763 -15.760 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -6.922 0.253 -16.989 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -5.820 1.235 -16.044 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -5.033 -1.084 -17.871 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -4.812 0.618 -18.225 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -2.778 0.218 -17.396 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -3.531 0.446 -15.891 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -3.273 -1.125 -16.482 1.00 0.00 H new ATOM 207 N ASN A 16 -5.070 -1.243 -12.173 1.00 0.00 N ATOM 208 CA ASN A 16 -3.637 -1.393 -12.075 1.00 0.00 C ATOM 209 C ASN A 16 -3.250 -2.223 -10.912 1.00 0.00 C ATOM 210 O ASN A 16 -2.098 -2.567 -10.746 1.00 0.00 O ATOM 211 CB ASN A 16 -2.954 -0.057 -11.913 1.00 0.00 C ATOM 212 CG ASN A 16 -3.244 0.960 -12.956 1.00 0.00 C ATOM 213 OD1 ASN A 16 -3.476 0.676 -14.113 1.00 0.00 O ATOM 214 ND2 ASN A 16 -3.222 2.155 -12.524 1.00 0.00 N ATOM 0 H ASN A 16 -5.460 -0.475 -11.626 1.00 0.00 H new ATOM 0 HA ASN A 16 -3.324 -1.874 -13.002 1.00 0.00 H new ATOM 0 HB2 ASN A 16 -3.235 0.356 -10.944 1.00 0.00 H new ATOM 0 HB3 ASN A 16 -1.877 -0.224 -11.888 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -3.405 2.931 -13.160 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -3.021 2.338 -11.541 1.00 0.00 H new ATOM 221 N TYR A 17 -4.177 -2.502 -10.081 1.00 0.00 N ATOM 222 CA TYR A 17 -3.918 -3.239 -8.898 1.00 0.00 C ATOM 223 C TYR A 17 -3.329 -4.621 -9.154 1.00 0.00 C ATOM 224 O TYR A 17 -2.404 -5.033 -8.458 1.00 0.00 O ATOM 225 CB TYR A 17 -5.137 -3.199 -8.008 1.00 0.00 C ATOM 226 CG TYR A 17 -5.303 -4.335 -7.055 1.00 0.00 C ATOM 227 CD1 TYR A 17 -4.463 -4.487 -5.994 1.00 0.00 C ATOM 228 CD2 TYR A 17 -6.328 -5.235 -7.221 1.00 0.00 C ATOM 229 CE1 TYR A 17 -4.618 -5.506 -5.103 1.00 0.00 C ATOM 230 CE2 TYR A 17 -6.519 -6.266 -6.328 1.00 0.00 C ATOM 231 CZ TYR A 17 -5.653 -6.395 -5.266 1.00 0.00 C ATOM 232 OH TYR A 17 -5.827 -7.398 -4.356 1.00 0.00 O ATOM 0 H TYR A 17 -5.151 -2.224 -10.200 1.00 0.00 H new ATOM 0 HA TYR A 17 -3.111 -2.757 -8.346 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -5.110 -2.273 -7.434 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -6.022 -3.154 -8.643 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -3.655 -3.784 -5.856 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -6.994 -5.132 -8.065 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -3.933 -5.614 -4.275 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -7.335 -6.962 -6.459 1.00 0.00 H new ATOM 0 HH TYR A 17 -6.396 -8.096 -4.743 1.00 0.00 H new ATOM 242 N ASN A 18 -3.769 -5.280 -10.187 1.00 0.00 N ATOM 243 CA ASN A 18 -3.216 -6.580 -10.495 1.00 0.00 C ATOM 244 C ASN A 18 -1.862 -6.443 -11.223 1.00 0.00 C ATOM 245 O ASN A 18 -1.160 -7.428 -11.434 1.00 0.00 O ATOM 246 CB ASN A 18 -4.171 -7.469 -11.332 1.00 0.00 C ATOM 247 CG ASN A 18 -4.300 -7.044 -12.795 1.00 0.00 C ATOM 248 OD1 ASN A 18 -3.539 -7.495 -13.655 1.00 0.00 O ATOM 249 ND2 ASN A 18 -5.257 -6.212 -13.090 1.00 0.00 N ATOM 0 H ASN A 18 -4.495 -4.952 -10.824 1.00 0.00 H new ATOM 0 HA ASN A 18 -3.070 -7.077 -9.536 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -3.817 -8.499 -11.294 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -5.159 -7.455 -10.872 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -5.395 -5.915 -14.056 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -5.869 -5.858 -12.355 1.00 0.00 H new ATOM 256 N GLU A 19 -1.482 -5.225 -11.586 1.00 0.00 N ATOM 257 CA GLU A 19 -0.235 -5.038 -12.325 1.00 0.00 C ATOM 258 C GLU A 19 0.838 -4.451 -11.433 1.00 0.00 C ATOM 259 O GLU A 19 1.935 -4.969 -11.315 1.00 0.00 O ATOM 260 CB GLU A 19 -0.472 -4.196 -13.605 1.00 0.00 C ATOM 261 CG GLU A 19 -0.765 -2.723 -13.447 1.00 0.00 C ATOM 262 CD GLU A 19 -1.237 -2.063 -14.724 1.00 0.00 C ATOM 263 OE1 GLU A 19 -2.453 -2.057 -15.002 1.00 0.00 O ATOM 264 OE2 GLU A 19 -0.403 -1.519 -15.470 1.00 0.00 O1- ATOM 0 H GLU A 19 -2.002 -4.370 -11.389 1.00 0.00 H new ATOM 0 HA GLU A 19 0.126 -6.013 -12.652 1.00 0.00 H new ATOM 0 HB2 GLU A 19 0.411 -4.294 -14.236 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -1.303 -4.644 -14.149 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -1.525 -2.592 -12.677 1.00 0.00 H new ATOM 0 HG3 GLU A 19 0.134 -2.217 -13.096 1.00 0.00 H new ATOM 271 N ILE A 20 0.477 -3.404 -10.804 1.00 0.00 N ATOM 272 CA ILE A 20 1.350 -2.652 -9.918 1.00 0.00 C ATOM 273 C ILE A 20 1.454 -3.312 -8.547 1.00 0.00 C ATOM 274 O ILE A 20 2.541 -3.600 -8.081 1.00 0.00 O ATOM 275 CB ILE A 20 0.843 -1.190 -9.726 1.00 0.00 C ATOM 276 CG1 ILE A 20 0.694 -0.465 -11.079 1.00 0.00 C ATOM 277 CG2 ILE A 20 1.773 -0.402 -8.793 1.00 0.00 C ATOM 278 CD1 ILE A 20 1.991 -0.220 -11.825 1.00 0.00 C ATOM 0 H ILE A 20 -0.462 -3.011 -10.876 1.00 0.00 H new ATOM 0 HA ILE A 20 2.332 -2.638 -10.390 1.00 0.00 H new ATOM 0 HB ILE A 20 -0.142 -1.244 -9.262 1.00 0.00 H new ATOM 0 HG12 ILE A 20 0.032 -1.051 -11.716 1.00 0.00 H new ATOM 0 HG13 ILE A 20 0.205 0.494 -10.908 1.00 0.00 H new ATOM 0 HG21 ILE A 20 1.396 0.614 -8.677 1.00 0.00 H new ATOM 0 HG22 ILE A 20 1.809 -0.889 -7.819 1.00 0.00 H new ATOM 0 HG23 ILE A 20 2.775 -0.370 -9.220 1.00 0.00 H new ATOM 0 HD11 ILE A 20 1.780 0.294 -12.763 1.00 0.00 H new ATOM 0 HD12 ILE A 20 2.651 0.395 -11.214 1.00 0.00 H new ATOM 0 HD13 ILE A 20 2.475 -1.174 -12.035 1.00 0.00 H new ATOM 290 N VAL A 21 0.316 -3.583 -7.924 1.00 0.00 N ATOM 291 CA VAL A 21 0.319 -4.078 -6.547 1.00 0.00 C ATOM 292 C VAL A 21 0.546 -5.562 -6.509 1.00 0.00 C ATOM 293 O VAL A 21 1.006 -6.118 -5.533 1.00 0.00 O ATOM 294 CB VAL A 21 -1.007 -3.715 -5.869 1.00 0.00 C ATOM 295 CG1 VAL A 21 -1.043 -4.183 -4.421 1.00 0.00 C ATOM 296 CG2 VAL A 21 -1.228 -2.216 -5.972 1.00 0.00 C ATOM 0 H VAL A 21 -0.609 -3.472 -8.338 1.00 0.00 H new ATOM 0 HA VAL A 21 1.138 -3.605 -6.005 1.00 0.00 H new ATOM 0 HB VAL A 21 -1.818 -4.231 -6.383 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -1.998 -3.908 -3.973 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -0.924 -5.266 -4.386 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -0.233 -3.711 -3.866 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -2.170 -1.953 -5.491 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -0.410 -1.693 -5.477 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -1.263 -1.925 -7.022 1.00 0.00 H new ATOM 306 N LEU A 22 0.276 -6.184 -7.591 1.00 0.00 N ATOM 307 CA LEU A 22 0.423 -7.587 -7.672 1.00 0.00 C ATOM 308 C LEU A 22 1.758 -7.871 -8.399 1.00 0.00 C ATOM 309 O LEU A 22 1.939 -8.881 -9.096 1.00 0.00 O ATOM 310 CB LEU A 22 -0.800 -8.131 -8.404 1.00 0.00 C ATOM 311 CG LEU A 22 -1.305 -9.551 -8.055 1.00 0.00 C ATOM 312 CD1 LEU A 22 -2.250 -10.062 -9.112 1.00 0.00 C ATOM 313 CD2 LEU A 22 -0.194 -10.547 -7.768 1.00 0.00 C ATOM 0 H LEU A 22 -0.053 -5.737 -8.447 1.00 0.00 H new ATOM 0 HA LEU A 22 0.469 -8.080 -6.701 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -1.623 -7.437 -8.234 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -0.582 -8.111 -9.472 1.00 0.00 H new ATOM 0 HG LEU A 22 -1.852 -9.454 -7.117 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -2.591 -11.062 -8.843 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -3.108 -9.394 -9.186 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -1.736 -10.100 -10.072 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -0.628 -11.518 -7.532 1.00 0.00 H new ATOM 0 HD22 LEU A 22 0.447 -10.640 -8.645 1.00 0.00 H new ATOM 0 HD23 LEU A 22 0.397 -10.198 -6.921 1.00 0.00 H new ATOM 325 N ASP A 23 2.673 -6.954 -8.243 1.00 0.00 N ATOM 326 CA ASP A 23 4.021 -7.126 -8.743 1.00 0.00 C ATOM 327 C ASP A 23 4.799 -7.916 -7.726 1.00 0.00 C ATOM 328 O ASP A 23 4.742 -7.632 -6.542 1.00 0.00 O ATOM 329 CB ASP A 23 4.711 -5.794 -8.961 1.00 0.00 C ATOM 330 CG ASP A 23 6.118 -5.930 -9.431 1.00 0.00 C ATOM 331 OD1 ASP A 23 6.359 -6.120 -10.619 1.00 0.00 O1- ATOM 332 OD2 ASP A 23 7.023 -5.787 -8.618 1.00 0.00 O ATOM 0 H ASP A 23 2.512 -6.066 -7.768 1.00 0.00 H new ATOM 0 HA ASP A 23 3.976 -7.642 -9.702 1.00 0.00 H new ATOM 0 HB2 ASP A 23 4.146 -5.215 -9.691 1.00 0.00 H new ATOM 0 HB3 ASP A 23 4.700 -5.230 -8.029 1.00 0.00 H new ATOM 337 N ASP A 24 5.507 -8.901 -8.174 1.00 0.00 N ATOM 338 CA ASP A 24 6.250 -9.754 -7.274 1.00 0.00 C ATOM 339 C ASP A 24 7.739 -9.465 -7.325 1.00 0.00 C ATOM 340 O ASP A 24 8.544 -10.294 -6.899 1.00 0.00 O ATOM 341 CB ASP A 24 5.975 -11.241 -7.573 1.00 0.00 C ATOM 342 CG ASP A 24 6.369 -11.675 -8.974 1.00 0.00 C ATOM 343 OD1 ASP A 24 5.552 -11.509 -9.904 1.00 0.00 O1- ATOM 344 OD2 ASP A 24 7.477 -12.204 -9.167 1.00 0.00 O ATOM 0 H ASP A 24 5.593 -9.144 -9.161 1.00 0.00 H new ATOM 0 HA ASP A 24 5.907 -9.535 -6.263 1.00 0.00 H new ATOM 0 HB2 ASP A 24 6.515 -11.852 -6.850 1.00 0.00 H new ATOM 0 HB3 ASP A 24 4.913 -11.439 -7.428 1.00 0.00 H new ATOM 349 N THR A 25 8.118 -8.280 -7.786 1.00 0.00 N ATOM 350 CA THR A 25 9.533 -7.960 -7.884 1.00 0.00 C ATOM 351 C THR A 25 9.939 -6.986 -6.763 1.00 0.00 C ATOM 352 O THR A 25 11.129 -6.684 -6.568 1.00 0.00 O ATOM 353 CB THR A 25 9.905 -7.370 -9.284 1.00 0.00 C ATOM 354 OG1 THR A 25 9.410 -6.038 -9.416 1.00 0.00 O ATOM 355 CG2 THR A 25 9.262 -8.193 -10.383 1.00 0.00 C ATOM 0 H THR A 25 7.483 -7.542 -8.091 1.00 0.00 H new ATOM 0 HA THR A 25 10.089 -8.890 -7.767 1.00 0.00 H new ATOM 0 HB THR A 25 10.992 -7.384 -9.368 1.00 0.00 H new ATOM 0 HG1 THR A 25 8.658 -5.906 -8.802 1.00 0.00 H new ATOM 0 HG21 THR A 25 9.527 -7.774 -11.354 1.00 0.00 H new ATOM 0 HG22 THR A 25 9.617 -9.222 -10.322 1.00 0.00 H new ATOM 0 HG23 THR A 25 8.179 -8.176 -10.264 1.00 0.00 H new ATOM 363 N LYS A 26 8.937 -6.490 -6.042 1.00 0.00 N ATOM 364 CA LYS A 26 9.118 -5.571 -4.925 1.00 0.00 C ATOM 365 C LYS A 26 7.936 -5.703 -3.989 1.00 0.00 C ATOM 366 O LYS A 26 6.894 -6.196 -4.409 1.00 0.00 O ATOM 367 CB LYS A 26 9.259 -4.146 -5.450 1.00 0.00 C ATOM 368 CG LYS A 26 8.187 -3.758 -6.438 1.00 0.00 C ATOM 369 CD LYS A 26 8.506 -2.456 -7.118 1.00 0.00 C ATOM 370 CE LYS A 26 7.474 -2.134 -8.180 1.00 0.00 C ATOM 371 NZ LYS A 26 7.483 -3.127 -9.268 1.00 0.00 N1+ ATOM 0 H LYS A 26 7.960 -6.720 -6.222 1.00 0.00 H new ATOM 0 HA LYS A 26 10.027 -5.813 -4.375 1.00 0.00 H new ATOM 0 HB2 LYS A 26 9.234 -3.453 -4.609 1.00 0.00 H new ATOM 0 HB3 LYS A 26 10.235 -4.037 -5.924 1.00 0.00 H new ATOM 0 HG2 LYS A 26 8.080 -4.543 -7.186 1.00 0.00 H new ATOM 0 HG3 LYS A 26 7.230 -3.675 -5.923 1.00 0.00 H new ATOM 0 HD2 LYS A 26 8.537 -1.654 -6.381 1.00 0.00 H new ATOM 0 HD3 LYS A 26 9.496 -2.511 -7.572 1.00 0.00 H new ATOM 0 HE2 LYS A 26 6.483 -2.100 -7.726 1.00 0.00 H new ATOM 0 HE3 LYS A 26 7.671 -1.143 -8.590 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 6.651 -2.985 -9.875 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 8.348 -3.014 -9.834 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 7.457 -4.085 -8.864 1.00 0.00 H new ATOM 385 N ASP A 27 8.087 -5.286 -2.744 1.00 0.00 N ATOM 386 CA ASP A 27 7.013 -5.429 -1.774 1.00 0.00 C ATOM 387 C ASP A 27 6.026 -4.300 -1.975 1.00 0.00 C ATOM 388 O ASP A 27 6.404 -3.139 -1.919 1.00 0.00 O ATOM 389 CB ASP A 27 7.539 -5.387 -0.311 1.00 0.00 C ATOM 390 CG ASP A 27 8.443 -6.570 0.118 1.00 0.00 C ATOM 391 OD1 ASP A 27 8.232 -7.729 -0.317 1.00 0.00 O1- ATOM 392 OD2 ASP A 27 9.367 -6.362 0.931 1.00 0.00 O ATOM 0 H ASP A 27 8.935 -4.849 -2.382 1.00 0.00 H new ATOM 0 HA ASP A 27 6.541 -6.399 -1.931 1.00 0.00 H new ATOM 0 HB2 ASP A 27 8.096 -4.460 -0.172 1.00 0.00 H new ATOM 0 HB3 ASP A 27 6.682 -5.347 0.362 1.00 0.00 H new ATOM 397 N VAL A 28 4.795 -4.598 -2.266 1.00 0.00 N ATOM 398 CA VAL A 28 3.834 -3.542 -2.438 1.00 0.00 C ATOM 399 C VAL A 28 2.798 -3.530 -1.332 1.00 0.00 C ATOM 400 O VAL A 28 2.080 -4.508 -1.110 1.00 0.00 O ATOM 401 CB VAL A 28 3.126 -3.571 -3.819 1.00 0.00 C ATOM 402 CG1 VAL A 28 2.266 -2.325 -3.995 1.00 0.00 C ATOM 403 CG2 VAL A 28 4.134 -3.678 -4.948 1.00 0.00 C ATOM 0 H VAL A 28 4.434 -5.544 -2.388 1.00 0.00 H new ATOM 0 HA VAL A 28 4.416 -2.622 -2.388 1.00 0.00 H new ATOM 0 HB VAL A 28 2.486 -4.452 -3.854 1.00 0.00 H new ATOM 0 HG11 VAL A 28 1.774 -2.357 -4.967 1.00 0.00 H new ATOM 0 HG12 VAL A 28 1.512 -2.289 -3.208 1.00 0.00 H new ATOM 0 HG13 VAL A 28 2.895 -1.437 -3.935 1.00 0.00 H new ATOM 0 HG21 VAL A 28 3.610 -3.696 -5.903 1.00 0.00 H new ATOM 0 HG22 VAL A 28 4.805 -2.820 -4.919 1.00 0.00 H new ATOM 0 HG23 VAL A 28 4.712 -4.595 -4.834 1.00 0.00 H new ATOM 413 N LEU A 29 2.747 -2.431 -0.623 1.00 0.00 N ATOM 414 CA LEU A 29 1.717 -2.198 0.344 1.00 0.00 C ATOM 415 C LEU A 29 0.594 -1.568 -0.364 1.00 0.00 C ATOM 416 O LEU A 29 0.798 -0.564 -1.032 1.00 0.00 O ATOM 417 CB LEU A 29 2.150 -1.212 1.421 1.00 0.00 C ATOM 418 CG LEU A 29 2.760 -1.745 2.699 1.00 0.00 C ATOM 419 CD1 LEU A 29 3.069 -0.581 3.609 1.00 0.00 C ATOM 420 CD2 LEU A 29 1.806 -2.700 3.395 1.00 0.00 C ATOM 0 H LEU A 29 3.424 -1.672 -0.704 1.00 0.00 H new ATOM 0 HA LEU A 29 1.468 -3.150 0.813 1.00 0.00 H new ATOM 0 HB2 LEU A 29 2.871 -0.529 0.972 1.00 0.00 H new ATOM 0 HB3 LEU A 29 1.277 -0.619 1.695 1.00 0.00 H new ATOM 0 HG LEU A 29 3.673 -2.291 2.460 1.00 0.00 H new ATOM 0 HD11 LEU A 29 3.510 -0.950 4.535 1.00 0.00 H new ATOM 0 HD12 LEU A 29 3.772 0.090 3.115 1.00 0.00 H new ATOM 0 HD13 LEU A 29 2.149 -0.041 3.835 1.00 0.00 H new ATOM 0 HD21 LEU A 29 2.266 -3.070 4.311 1.00 0.00 H new ATOM 0 HD22 LEU A 29 0.881 -2.177 3.639 1.00 0.00 H new ATOM 0 HD23 LEU A 29 1.585 -3.539 2.735 1.00 0.00 H new ATOM 432 N ILE A 30 -0.551 -2.143 -0.305 1.00 0.00 N ATOM 433 CA ILE A 30 -1.673 -1.450 -0.851 1.00 0.00 C ATOM 434 C ILE A 30 -2.646 -1.073 0.245 1.00 0.00 C ATOM 435 O ILE A 30 -2.734 -1.761 1.256 1.00 0.00 O ATOM 436 CB ILE A 30 -2.408 -2.233 -1.943 1.00 0.00 C ATOM 437 CG1 ILE A 30 -3.336 -1.283 -2.695 1.00 0.00 C ATOM 438 CG2 ILE A 30 -3.184 -3.405 -1.343 1.00 0.00 C ATOM 439 CD1 ILE A 30 -4.134 -1.921 -3.762 1.00 0.00 C ATOM 0 H ILE A 30 -0.740 -3.060 0.100 1.00 0.00 H new ATOM 0 HA ILE A 30 -1.269 -0.554 -1.323 1.00 0.00 H new ATOM 0 HB ILE A 30 -1.683 -2.651 -2.642 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -4.015 -0.817 -1.980 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -2.739 -0.484 -3.134 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -3.698 -3.946 -2.138 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -2.493 -4.077 -0.835 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -3.916 -3.029 -0.628 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -4.764 -1.172 -4.242 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -3.466 -2.362 -4.502 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -4.762 -2.700 -3.330 1.00 0.00 H new ATOM 451 N GLU A 31 -3.333 0.015 0.058 1.00 0.00 N ATOM 452 CA GLU A 31 -4.355 0.434 0.962 1.00 0.00 C ATOM 453 C GLU A 31 -5.629 0.776 0.184 1.00 0.00 C ATOM 454 O GLU A 31 -5.643 1.668 -0.658 1.00 0.00 O ATOM 455 CB GLU A 31 -3.852 1.613 1.785 1.00 0.00 C ATOM 456 CG GLU A 31 -4.763 2.090 2.889 1.00 0.00 C ATOM 457 CD GLU A 31 -4.055 3.073 3.793 1.00 0.00 C ATOM 458 OE1 GLU A 31 -4.059 4.285 3.509 1.00 0.00 O1- ATOM 459 OE2 GLU A 31 -3.466 2.639 4.823 1.00 0.00 O ATOM 0 H GLU A 31 -3.196 0.641 -0.736 1.00 0.00 H new ATOM 0 HA GLU A 31 -4.601 -0.373 1.652 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -2.893 1.339 2.226 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -3.666 2.448 1.110 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -5.647 2.560 2.458 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -5.108 1.237 3.474 1.00 0.00 H new ATOM 466 N PHE A 32 -6.645 -0.012 0.389 1.00 0.00 N ATOM 467 CA PHE A 32 -7.962 0.245 -0.162 1.00 0.00 C ATOM 468 C PHE A 32 -8.554 1.336 0.643 1.00 0.00 C ATOM 469 O PHE A 32 -8.514 1.243 1.865 1.00 0.00 O ATOM 470 CB PHE A 32 -8.872 -0.965 0.008 1.00 0.00 C ATOM 471 CG PHE A 32 -8.442 -2.208 -0.756 1.00 0.00 C ATOM 472 CD1 PHE A 32 -7.556 -3.116 -0.213 1.00 0.00 C ATOM 473 CD2 PHE A 32 -8.934 -2.456 -2.021 1.00 0.00 C ATOM 474 CE1 PHE A 32 -7.169 -4.239 -0.906 1.00 0.00 C ATOM 475 CE2 PHE A 32 -8.547 -3.588 -2.723 1.00 0.00 C ATOM 476 CZ PHE A 32 -7.664 -4.476 -2.162 1.00 0.00 C ATOM 0 H PHE A 32 -6.591 -0.863 0.949 1.00 0.00 H new ATOM 0 HA PHE A 32 -7.870 0.484 -1.221 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -8.929 -1.211 1.068 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -9.878 -0.691 -0.311 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -7.159 -2.941 0.776 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -9.628 -1.761 -2.470 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -6.474 -4.935 -0.460 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -8.941 -3.771 -3.712 1.00 0.00 H new ATOM 0 HZ PHE A 32 -7.361 -5.357 -2.707 1.00 0.00 H new ATOM 486 N TYR A 33 -9.097 2.344 0.008 1.00 0.00 N ATOM 487 CA TYR A 33 -9.667 3.439 0.749 1.00 0.00 C ATOM 488 C TYR A 33 -10.848 4.045 0.028 1.00 0.00 C ATOM 489 O TYR A 33 -11.294 3.554 -1.019 1.00 0.00 O ATOM 490 CB TYR A 33 -8.612 4.542 0.982 1.00 0.00 C ATOM 491 CG TYR A 33 -8.194 5.314 -0.277 1.00 0.00 C ATOM 492 CD1 TYR A 33 -7.308 4.784 -1.193 1.00 0.00 C ATOM 493 CD2 TYR A 33 -8.717 6.579 -0.534 1.00 0.00 C ATOM 494 CE1 TYR A 33 -6.961 5.487 -2.330 1.00 0.00 C ATOM 495 CE2 TYR A 33 -8.375 7.281 -1.659 1.00 0.00 C ATOM 496 CZ TYR A 33 -7.499 6.732 -2.553 1.00 0.00 C ATOM 497 OH TYR A 33 -7.152 7.434 -3.680 1.00 0.00 O ATOM 0 H TYR A 33 -9.156 2.429 -1.007 1.00 0.00 H new ATOM 0 HA TYR A 33 -10.005 3.036 1.704 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -9.004 5.251 1.712 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -7.725 4.088 1.423 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -6.881 3.808 -1.018 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -9.409 7.017 0.171 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -6.269 5.060 -3.041 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -8.794 8.260 -1.838 1.00 0.00 H new ATOM 0 HH TYR A 33 -7.621 8.294 -3.687 1.00 0.00 H new ATOM 507 N ALA A 34 -11.301 5.127 0.603 1.00 0.00 N ATOM 508 CA ALA A 34 -12.341 5.961 0.113 1.00 0.00 C ATOM 509 C ALA A 34 -12.008 7.350 0.635 1.00 0.00 C ATOM 510 O ALA A 34 -11.467 7.464 1.732 1.00 0.00 O ATOM 511 CB ALA A 34 -13.675 5.502 0.658 1.00 0.00 C ATOM 0 H ALA A 34 -10.919 5.463 1.487 1.00 0.00 H new ATOM 0 HA ALA A 34 -12.413 5.937 -0.974 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -14.466 6.148 0.276 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -13.862 4.475 0.344 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -13.660 5.552 1.747 1.00 0.00 H new ATOM 517 N PRO A 35 -12.340 8.423 -0.087 1.00 0.00 N ATOM 518 CA PRO A 35 -11.963 9.772 0.312 1.00 0.00 C ATOM 519 C PRO A 35 -12.923 10.299 1.335 1.00 0.00 C ATOM 520 O PRO A 35 -12.659 11.254 2.047 1.00 0.00 O ATOM 521 CB PRO A 35 -12.060 10.573 -0.975 1.00 0.00 C ATOM 522 CG PRO A 35 -12.828 9.736 -1.949 1.00 0.00 C ATOM 523 CD PRO A 35 -13.144 8.423 -1.303 1.00 0.00 C ATOM 0 HA PRO A 35 -10.972 9.821 0.763 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -12.564 11.524 -0.801 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -11.068 10.804 -1.362 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -13.746 10.244 -2.243 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -12.245 9.581 -2.857 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -14.207 8.335 -1.078 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -12.885 7.587 -1.952 1.00 0.00 H new ATOM 531 N TRP A 36 -14.029 9.642 1.394 1.00 0.00 N ATOM 532 CA TRP A 36 -15.072 9.957 2.359 1.00 0.00 C ATOM 533 C TRP A 36 -14.901 9.160 3.630 1.00 0.00 C ATOM 534 O TRP A 36 -15.649 9.319 4.592 1.00 0.00 O ATOM 535 CB TRP A 36 -16.470 9.750 1.762 1.00 0.00 C ATOM 536 CG TRP A 36 -16.733 8.411 1.111 1.00 0.00 C ATOM 537 CD1 TRP A 36 -16.749 8.163 -0.227 1.00 0.00 C ATOM 538 CD2 TRP A 36 -17.032 7.154 1.750 1.00 0.00 C ATOM 539 NE1 TRP A 36 -17.037 6.849 -0.465 1.00 0.00 N ATOM 540 CE2 TRP A 36 -17.214 6.204 0.725 1.00 0.00 C ATOM 541 CE3 TRP A 36 -17.166 6.740 3.079 1.00 0.00 C ATOM 542 CZ2 TRP A 36 -17.516 4.873 0.988 1.00 0.00 C ATOM 543 CZ3 TRP A 36 -17.463 5.417 3.337 1.00 0.00 C ATOM 544 CH2 TRP A 36 -17.637 4.499 2.298 1.00 0.00 C ATOM 0 H TRP A 36 -14.255 8.862 0.777 1.00 0.00 H new ATOM 0 HA TRP A 36 -14.974 11.013 2.612 1.00 0.00 H new ATOM 0 HB2 TRP A 36 -17.204 9.894 2.554 1.00 0.00 H new ATOM 0 HB3 TRP A 36 -16.644 10.530 1.021 1.00 0.00 H new ATOM 0 HD1 TRP A 36 -16.561 8.901 -0.993 1.00 0.00 H new ATOM 0 HE1 TRP A 36 -17.109 6.418 -1.387 1.00 0.00 H new ATOM 0 HE3 TRP A 36 -17.039 7.443 3.889 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 -17.650 4.160 0.188 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 -17.563 5.085 4.360 1.00 0.00 H new ATOM 0 HH2 TRP A 36 -17.872 3.472 2.535 1.00 0.00 H new ATOM 555 N CYS A 37 -13.901 8.339 3.640 1.00 0.00 N ATOM 556 CA CYS A 37 -13.670 7.452 4.739 1.00 0.00 C ATOM 557 C CYS A 37 -12.858 8.126 5.822 1.00 0.00 C ATOM 558 O CYS A 37 -11.698 8.489 5.598 1.00 0.00 O ATOM 559 CB CYS A 37 -12.952 6.204 4.262 1.00 0.00 C ATOM 560 SG CYS A 37 -12.712 4.928 5.504 1.00 0.00 S ATOM 0 H CYS A 37 -13.219 8.263 2.886 1.00 0.00 H new ATOM 0 HA CYS A 37 -14.638 7.175 5.157 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -13.514 5.777 3.432 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -11.977 6.494 3.871 1.00 0.00 H new ATOM 0 HG CYS A 37 -11.531 4.402 5.364 1.00 0.00 H new ATOM 566 N GLY A 38 -13.444 8.258 6.999 1.00 0.00 N ATOM 567 CA GLY A 38 -12.747 8.847 8.129 1.00 0.00 C ATOM 568 C GLY A 38 -11.621 7.948 8.588 1.00 0.00 C ATOM 569 O GLY A 38 -10.608 8.413 9.113 1.00 0.00 O ATOM 0 H GLY A 38 -14.401 7.965 7.197 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -12.350 9.823 7.849 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -13.446 9.011 8.949 1.00 0.00 H new ATOM 573 N HIS A 39 -11.797 6.650 8.373 1.00 0.00 N ATOM 574 CA HIS A 39 -10.758 5.672 8.659 1.00 0.00 C ATOM 575 C HIS A 39 -9.558 5.976 7.748 1.00 0.00 C ATOM 576 O HIS A 39 -8.449 6.083 8.212 1.00 0.00 O ATOM 577 CB HIS A 39 -11.308 4.237 8.439 1.00 0.00 C ATOM 578 CG HIS A 39 -10.389 3.078 8.788 1.00 0.00 C ATOM 579 ND1 HIS A 39 -10.515 2.337 9.938 1.00 0.00 N ATOM 580 CD2 HIS A 39 -9.392 2.493 8.088 1.00 0.00 C ATOM 581 CE1 HIS A 39 -9.643 1.351 9.926 1.00 0.00 C ATOM 582 NE2 HIS A 39 -8.949 1.423 8.815 1.00 0.00 N ATOM 0 H HIS A 39 -12.657 6.249 7.999 1.00 0.00 H new ATOM 0 HA HIS A 39 -10.437 5.733 9.699 1.00 0.00 H new ATOM 0 HB2 HIS A 39 -12.221 4.132 9.025 1.00 0.00 H new ATOM 0 HB3 HIS A 39 -11.589 4.141 7.390 1.00 0.00 H new ATOM 0 HD2 HIS A 39 -9.014 2.813 7.128 1.00 0.00 H new ATOM 0 HE1 HIS A 39 -9.520 0.608 10.700 1.00 0.00 H new ATOM 0 HE2 HIS A 39 -8.202 0.786 8.539 1.00 0.00 H new ATOM 591 N CYS A 40 -9.829 6.208 6.458 1.00 0.00 N ATOM 592 CA CYS A 40 -8.781 6.543 5.471 1.00 0.00 C ATOM 593 C CYS A 40 -8.060 7.832 5.843 1.00 0.00 C ATOM 594 O CYS A 40 -6.867 7.978 5.621 1.00 0.00 O ATOM 595 CB CYS A 40 -9.373 6.685 4.071 1.00 0.00 C ATOM 596 SG CYS A 40 -8.214 7.290 2.823 1.00 0.00 S ATOM 0 H CYS A 40 -10.770 6.171 6.066 1.00 0.00 H new ATOM 0 HA CYS A 40 -8.063 5.723 5.477 1.00 0.00 H new ATOM 0 HB2 CYS A 40 -9.756 5.716 3.753 1.00 0.00 H new ATOM 0 HB3 CYS A 40 -10.224 7.365 4.118 1.00 0.00 H new ATOM 0 HG CYS A 40 -8.614 6.919 1.643 1.00 0.00 H new ATOM 602 N LYS A 41 -8.779 8.738 6.442 1.00 0.00 N ATOM 603 CA LYS A 41 -8.221 10.042 6.870 1.00 0.00 C ATOM 604 C LYS A 41 -7.126 9.911 7.942 1.00 0.00 C ATOM 605 O LYS A 41 -6.383 10.854 8.209 1.00 0.00 O ATOM 606 CB LYS A 41 -9.351 10.969 7.309 1.00 0.00 C ATOM 607 CG LYS A 41 -10.294 11.243 6.164 1.00 0.00 C ATOM 608 CD LYS A 41 -9.640 12.119 5.125 1.00 0.00 C ATOM 609 CE LYS A 41 -10.207 11.835 3.774 1.00 0.00 C ATOM 610 NZ LYS A 41 -9.682 12.754 2.743 1.00 0.00 N1+ ATOM 0 H LYS A 41 -9.769 8.619 6.659 1.00 0.00 H new ATOM 0 HA LYS A 41 -7.720 10.485 6.009 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -9.898 10.517 8.136 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -8.936 11.907 7.677 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -10.603 10.302 5.709 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -11.196 11.728 6.538 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -9.792 13.169 5.377 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -8.564 11.945 5.119 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -9.976 10.807 3.494 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -11.293 11.918 3.813 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -10.103 12.519 1.822 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -9.924 13.733 2.995 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -8.648 12.657 2.686 1.00 0.00 H new ATOM 624 N ALA A 42 -7.010 8.735 8.500 1.00 0.00 N ATOM 625 CA ALA A 42 -5.989 8.439 9.507 1.00 0.00 C ATOM 626 C ALA A 42 -4.919 7.580 8.879 1.00 0.00 C ATOM 627 O ALA A 42 -3.862 7.309 9.445 1.00 0.00 O ATOM 628 CB ALA A 42 -6.610 7.672 10.617 1.00 0.00 C ATOM 0 H ALA A 42 -7.615 7.944 8.278 1.00 0.00 H new ATOM 0 HA ALA A 42 -5.561 9.369 9.882 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -5.856 7.448 11.371 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -7.408 8.264 11.066 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -7.023 6.741 10.229 1.00 0.00 H new ATOM 634 N LEU A 43 -5.218 7.149 7.711 1.00 0.00 N ATOM 635 CA LEU A 43 -4.376 6.273 6.954 1.00 0.00 C ATOM 636 C LEU A 43 -3.555 7.038 5.919 1.00 0.00 C ATOM 637 O LEU A 43 -2.475 6.612 5.525 1.00 0.00 O ATOM 638 CB LEU A 43 -5.213 5.166 6.314 1.00 0.00 C ATOM 639 CG LEU A 43 -5.499 3.904 7.175 1.00 0.00 C ATOM 640 CD1 LEU A 43 -6.164 4.216 8.489 1.00 0.00 C ATOM 641 CD2 LEU A 43 -6.308 2.889 6.393 1.00 0.00 C ATOM 0 H LEU A 43 -6.082 7.399 7.231 1.00 0.00 H new ATOM 0 HA LEU A 43 -3.661 5.808 7.633 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -6.169 5.595 6.016 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -4.709 4.846 5.402 1.00 0.00 H new ATOM 0 HG LEU A 43 -4.527 3.475 7.417 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -6.335 3.291 9.039 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -5.522 4.873 9.075 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -7.118 4.710 8.306 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -6.495 2.015 7.017 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -7.258 3.333 6.095 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -5.753 2.588 5.504 1.00 0.00 H new ATOM 653 N ALA A 44 -4.042 8.172 5.569 1.00 0.00 N ATOM 654 CA ALA A 44 -3.436 9.065 4.606 1.00 0.00 C ATOM 655 C ALA A 44 -2.121 9.699 5.105 1.00 0.00 C ATOM 656 O ALA A 44 -1.134 9.689 4.376 1.00 0.00 O ATOM 657 CB ALA A 44 -4.415 10.146 4.224 1.00 0.00 C ATOM 0 H ALA A 44 -4.914 8.535 5.955 1.00 0.00 H new ATOM 0 HA ALA A 44 -3.180 8.461 3.735 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -3.953 10.816 3.499 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -5.304 9.693 3.785 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -4.697 10.712 5.112 1.00 0.00 H new ATOM 663 N PRO A 45 -2.029 10.203 6.395 1.00 0.00 N ATOM 664 CA PRO A 45 -0.828 10.923 6.859 1.00 0.00 C ATOM 665 C PRO A 45 0.397 10.061 6.896 1.00 0.00 C ATOM 666 O PRO A 45 1.519 10.551 6.961 1.00 0.00 O ATOM 667 CB PRO A 45 -1.193 11.364 8.250 1.00 0.00 C ATOM 668 CG PRO A 45 -2.222 10.406 8.708 1.00 0.00 C ATOM 669 CD PRO A 45 -3.032 10.104 7.498 1.00 0.00 C ATOM 0 HA PRO A 45 -0.574 11.741 6.185 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -0.324 11.351 8.907 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -1.578 12.384 8.251 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -1.767 9.502 9.114 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -2.838 10.836 9.498 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -3.481 9.112 7.549 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -3.847 10.816 7.369 1.00 0.00 H new ATOM 677 N LYS A 46 0.187 8.789 6.853 1.00 0.00 N ATOM 678 CA LYS A 46 1.310 7.895 6.830 1.00 0.00 C ATOM 679 C LYS A 46 1.539 7.423 5.454 1.00 0.00 C ATOM 680 O LYS A 46 2.649 7.180 5.066 1.00 0.00 O ATOM 681 CB LYS A 46 1.185 6.698 7.774 1.00 0.00 C ATOM 682 CG LYS A 46 0.299 5.559 7.338 1.00 0.00 C ATOM 683 CD LYS A 46 -1.014 5.525 8.040 1.00 0.00 C ATOM 684 CE LYS A 46 -1.715 4.213 7.731 1.00 0.00 C ATOM 685 NZ LYS A 46 -1.917 4.026 6.269 1.00 0.00 N1+ ATOM 0 H LYS A 46 -0.731 8.344 6.833 1.00 0.00 H new ATOM 0 HA LYS A 46 2.161 8.472 7.192 1.00 0.00 H new ATOM 0 HB2 LYS A 46 2.185 6.300 7.947 1.00 0.00 H new ATOM 0 HB3 LYS A 46 0.817 7.063 8.733 1.00 0.00 H new ATOM 0 HG2 LYS A 46 0.126 5.634 6.264 1.00 0.00 H new ATOM 0 HG3 LYS A 46 0.819 4.617 7.512 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -0.867 5.628 9.115 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -1.632 6.365 7.721 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -1.127 3.385 8.126 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -2.680 4.188 8.237 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -2.692 3.351 6.109 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -2.157 4.939 5.832 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -1.043 3.657 5.842 1.00 0.00 H new ATOM 699 N TYR A 47 0.501 7.373 4.699 1.00 0.00 N ATOM 700 CA TYR A 47 0.582 6.813 3.390 1.00 0.00 C ATOM 701 C TYR A 47 1.281 7.707 2.445 1.00 0.00 C ATOM 702 O TYR A 47 2.088 7.260 1.646 1.00 0.00 O ATOM 703 CB TYR A 47 -0.757 6.364 2.882 1.00 0.00 C ATOM 704 CG TYR A 47 -0.717 4.923 2.549 1.00 0.00 C ATOM 705 CD1 TYR A 47 -0.394 4.011 3.519 1.00 0.00 C ATOM 706 CD2 TYR A 47 -0.943 4.476 1.281 1.00 0.00 C ATOM 707 CE1 TYR A 47 -0.312 2.682 3.254 1.00 0.00 C ATOM 708 CE2 TYR A 47 -0.863 3.143 0.980 1.00 0.00 C ATOM 709 CZ TYR A 47 -0.544 2.238 1.980 1.00 0.00 C ATOM 710 OH TYR A 47 -0.463 0.897 1.705 1.00 0.00 O ATOM 0 H TYR A 47 -0.423 7.715 4.964 1.00 0.00 H new ATOM 0 HA TYR A 47 1.194 5.914 3.468 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -1.522 6.550 3.636 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -1.032 6.942 2.000 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -0.199 4.359 4.523 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -1.189 5.184 0.503 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -0.066 1.983 4.040 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -1.047 2.800 -0.027 1.00 0.00 H new ATOM 0 HH TYR A 47 -0.656 0.745 0.756 1.00 0.00 H new ATOM 720 N GLU A 48 1.032 8.961 2.555 1.00 0.00 N ATOM 721 CA GLU A 48 1.711 9.879 1.739 1.00 0.00 C ATOM 722 C GLU A 48 3.113 10.204 2.242 1.00 0.00 C ATOM 723 O GLU A 48 3.960 10.585 1.476 1.00 0.00 O ATOM 724 CB GLU A 48 0.898 11.120 1.469 1.00 0.00 C ATOM 725 CG GLU A 48 -0.319 10.857 0.584 1.00 0.00 C ATOM 726 CD GLU A 48 -1.530 10.282 1.282 1.00 0.00 C ATOM 727 OE1 GLU A 48 -2.331 11.066 1.819 1.00 0.00 O ATOM 728 OE2 GLU A 48 -1.738 9.050 1.229 1.00 0.00 O1- ATOM 0 H GLU A 48 0.360 9.369 3.206 1.00 0.00 H new ATOM 0 HA GLU A 48 1.846 9.379 0.780 1.00 0.00 H new ATOM 0 HB2 GLU A 48 0.566 11.543 2.417 1.00 0.00 H new ATOM 0 HB3 GLU A 48 1.533 11.866 0.992 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -0.608 11.794 0.109 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -0.024 10.174 -0.213 1.00 0.00 H new ATOM 735 N GLU A 49 3.371 9.975 3.491 1.00 0.00 N ATOM 736 CA GLU A 49 4.657 10.293 4.057 1.00 0.00 C ATOM 737 C GLU A 49 5.597 9.129 3.808 1.00 0.00 C ATOM 738 O GLU A 49 6.695 9.297 3.296 1.00 0.00 O ATOM 739 CB GLU A 49 4.514 10.579 5.550 1.00 0.00 C ATOM 740 CG GLU A 49 5.783 11.063 6.223 1.00 0.00 C ATOM 741 CD GLU A 49 5.559 11.376 7.674 1.00 0.00 C ATOM 742 OE1 GLU A 49 5.167 12.516 7.998 1.00 0.00 O ATOM 743 OE2 GLU A 49 5.746 10.493 8.521 1.00 0.00 O1- ATOM 0 H GLU A 49 2.707 9.566 4.148 1.00 0.00 H new ATOM 0 HA GLU A 49 5.066 11.187 3.587 1.00 0.00 H new ATOM 0 HB2 GLU A 49 3.735 11.329 5.690 1.00 0.00 H new ATOM 0 HB3 GLU A 49 4.176 9.671 6.050 1.00 0.00 H new ATOM 0 HG2 GLU A 49 6.557 10.301 6.131 1.00 0.00 H new ATOM 0 HG3 GLU A 49 6.149 11.953 5.711 1.00 0.00 H new ATOM 750 N LEU A 50 5.101 7.941 4.079 1.00 0.00 N ATOM 751 CA LEU A 50 5.849 6.723 3.917 1.00 0.00 C ATOM 752 C LEU A 50 5.964 6.446 2.481 1.00 0.00 C ATOM 753 O LEU A 50 6.980 6.022 1.993 1.00 0.00 O ATOM 754 CB LEU A 50 5.069 5.595 4.515 1.00 0.00 C ATOM 755 CG LEU A 50 5.696 4.203 4.397 1.00 0.00 C ATOM 756 CD1 LEU A 50 6.903 4.040 5.301 1.00 0.00 C ATOM 757 CD2 LEU A 50 4.678 3.136 4.651 1.00 0.00 C ATOM 0 H LEU A 50 4.152 7.797 4.423 1.00 0.00 H new ATOM 0 HA LEU A 50 6.826 6.820 4.390 1.00 0.00 H new ATOM 0 HB2 LEU A 50 4.910 5.811 5.572 1.00 0.00 H new ATOM 0 HB3 LEU A 50 4.087 5.570 4.043 1.00 0.00 H new ATOM 0 HG LEU A 50 6.053 4.095 3.373 1.00 0.00 H new ATOM 0 HD11 LEU A 50 7.313 3.037 5.183 1.00 0.00 H new ATOM 0 HD12 LEU A 50 7.661 4.776 5.033 1.00 0.00 H new ATOM 0 HD13 LEU A 50 6.603 4.189 6.338 1.00 0.00 H new ATOM 0 HD21 LEU A 50 5.148 2.156 4.561 1.00 0.00 H new ATOM 0 HD22 LEU A 50 4.271 3.253 5.655 1.00 0.00 H new ATOM 0 HD23 LEU A 50 3.873 3.220 3.921 1.00 0.00 H new ATOM 769 N GLY A 51 4.883 6.682 1.824 1.00 0.00 N ATOM 770 CA GLY A 51 4.798 6.440 0.414 1.00 0.00 C ATOM 771 C GLY A 51 5.675 7.306 -0.371 1.00 0.00 C ATOM 772 O GLY A 51 6.239 6.870 -1.352 1.00 0.00 O ATOM 0 H GLY A 51 4.028 7.049 2.243 1.00 0.00 H new ATOM 0 HA2 GLY A 51 5.052 5.399 0.214 1.00 0.00 H new ATOM 0 HA3 GLY A 51 3.768 6.585 0.088 1.00 0.00 H new ATOM 776 N ALA A 52 5.783 8.536 0.042 1.00 0.00 N ATOM 777 CA ALA A 52 6.727 9.433 -0.552 1.00 0.00 C ATOM 778 C ALA A 52 8.099 8.860 -0.352 1.00 0.00 C ATOM 779 O ALA A 52 8.789 8.510 -1.309 1.00 0.00 O ATOM 780 CB ALA A 52 6.616 10.799 0.101 1.00 0.00 C ATOM 0 H ALA A 52 5.224 8.941 0.793 1.00 0.00 H new ATOM 0 HA ALA A 52 6.529 9.552 -1.617 1.00 0.00 H new ATOM 0 HB1 ALA A 52 7.336 11.479 -0.354 1.00 0.00 H new ATOM 0 HB2 ALA A 52 5.608 11.189 -0.041 1.00 0.00 H new ATOM 0 HB3 ALA A 52 6.824 10.710 1.167 1.00 0.00 H new ATOM 786 N LEU A 53 8.414 8.617 0.892 1.00 0.00 N ATOM 787 CA LEU A 53 9.743 8.156 1.252 1.00 0.00 C ATOM 788 C LEU A 53 10.096 6.840 0.579 1.00 0.00 C ATOM 789 O LEU A 53 11.189 6.695 0.043 1.00 0.00 O ATOM 790 CB LEU A 53 9.911 8.044 2.761 1.00 0.00 C ATOM 791 CG LEU A 53 9.742 9.335 3.556 1.00 0.00 C ATOM 792 CD1 LEU A 53 9.861 9.053 5.037 1.00 0.00 C ATOM 793 CD2 LEU A 53 10.763 10.378 3.125 1.00 0.00 C ATOM 0 H LEU A 53 7.774 8.728 1.678 1.00 0.00 H new ATOM 0 HA LEU A 53 10.439 8.912 0.887 1.00 0.00 H new ATOM 0 HB2 LEU A 53 9.190 7.316 3.133 1.00 0.00 H new ATOM 0 HB3 LEU A 53 10.904 7.643 2.966 1.00 0.00 H new ATOM 0 HG LEU A 53 8.749 9.736 3.354 1.00 0.00 H new ATOM 0 HD11 LEU A 53 9.739 9.981 5.595 1.00 0.00 H new ATOM 0 HD12 LEU A 53 9.088 8.345 5.336 1.00 0.00 H new ATOM 0 HD13 LEU A 53 10.842 8.629 5.249 1.00 0.00 H new ATOM 0 HD21 LEU A 53 10.621 11.289 3.707 1.00 0.00 H new ATOM 0 HD22 LEU A 53 11.769 9.993 3.293 1.00 0.00 H new ATOM 0 HD23 LEU A 53 10.631 10.600 2.066 1.00 0.00 H new ATOM 805 N TYR A 54 9.177 5.911 0.544 1.00 0.00 N ATOM 806 CA TYR A 54 9.499 4.646 -0.045 1.00 0.00 C ATOM 807 C TYR A 54 9.488 4.690 -1.541 1.00 0.00 C ATOM 808 O TYR A 54 10.407 4.239 -2.144 1.00 0.00 O ATOM 809 CB TYR A 54 8.698 3.464 0.533 1.00 0.00 C ATOM 810 CG TYR A 54 9.208 2.968 1.886 1.00 0.00 C ATOM 811 CD1 TYR A 54 9.773 3.837 2.816 1.00 0.00 C ATOM 812 CD2 TYR A 54 9.150 1.621 2.212 1.00 0.00 C ATOM 813 CE1 TYR A 54 10.253 3.377 4.028 1.00 0.00 C ATOM 814 CE2 TYR A 54 9.629 1.155 3.423 1.00 0.00 C ATOM 815 CZ TYR A 54 10.178 2.033 4.325 1.00 0.00 C ATOM 816 OH TYR A 54 10.659 1.570 5.534 1.00 0.00 O ATOM 0 H TYR A 54 8.228 6.004 0.906 1.00 0.00 H new ATOM 0 HA TYR A 54 10.530 4.447 0.247 1.00 0.00 H new ATOM 0 HB2 TYR A 54 7.655 3.762 0.637 1.00 0.00 H new ATOM 0 HB3 TYR A 54 8.724 2.638 -0.178 1.00 0.00 H new ATOM 0 HD1 TYR A 54 9.837 4.890 2.586 1.00 0.00 H new ATOM 0 HD2 TYR A 54 8.723 0.923 1.507 1.00 0.00 H new ATOM 0 HE1 TYR A 54 10.684 4.067 4.738 1.00 0.00 H new ATOM 0 HE2 TYR A 54 9.571 0.103 3.659 1.00 0.00 H new ATOM 0 HH TYR A 54 11.169 0.746 5.389 1.00 0.00 H new ATOM 826 N ALA A 55 8.510 5.340 -2.127 1.00 0.00 N ATOM 827 CA ALA A 55 8.385 5.370 -3.587 1.00 0.00 C ATOM 828 C ALA A 55 9.142 6.561 -4.223 1.00 0.00 C ATOM 829 O ALA A 55 8.915 6.906 -5.385 1.00 0.00 O ATOM 830 CB ALA A 55 6.917 5.364 -3.999 1.00 0.00 C ATOM 0 H ALA A 55 7.786 5.857 -1.628 1.00 0.00 H new ATOM 0 HA ALA A 55 8.857 4.465 -3.970 1.00 0.00 H new ATOM 0 HB1 ALA A 55 6.844 5.387 -5.086 1.00 0.00 H new ATOM 0 HB2 ALA A 55 6.437 4.461 -3.622 1.00 0.00 H new ATOM 0 HB3 ALA A 55 6.419 6.240 -3.584 1.00 0.00 H new ATOM 836 N LYS A 56 10.041 7.168 -3.477 1.00 0.00 N ATOM 837 CA LYS A 56 10.850 8.258 -4.007 1.00 0.00 C ATOM 838 C LYS A 56 12.319 8.029 -3.700 1.00 0.00 C ATOM 839 O LYS A 56 13.191 8.402 -4.486 1.00 0.00 O ATOM 840 CB LYS A 56 10.438 9.595 -3.387 1.00 0.00 C ATOM 841 CG LYS A 56 10.465 10.777 -4.340 1.00 0.00 C ATOM 842 CD LYS A 56 9.478 10.601 -5.497 1.00 0.00 C ATOM 843 CE LYS A 56 8.038 10.425 -5.016 1.00 0.00 C ATOM 844 NZ LYS A 56 7.108 10.277 -6.153 1.00 0.00 N1+ ATOM 0 H LYS A 56 10.234 6.930 -2.504 1.00 0.00 H new ATOM 0 HA LYS A 56 10.691 8.286 -5.085 1.00 0.00 H new ATOM 0 HB2 LYS A 56 9.431 9.496 -2.982 1.00 0.00 H new ATOM 0 HB3 LYS A 56 11.099 9.809 -2.547 1.00 0.00 H new ATOM 0 HG2 LYS A 56 10.225 11.689 -3.794 1.00 0.00 H new ATOM 0 HG3 LYS A 56 11.472 10.900 -4.738 1.00 0.00 H new ATOM 0 HD2 LYS A 56 9.535 11.469 -6.154 1.00 0.00 H new ATOM 0 HD3 LYS A 56 9.768 9.733 -6.089 1.00 0.00 H new ATOM 0 HE2 LYS A 56 7.972 9.548 -4.372 1.00 0.00 H new ATOM 0 HE3 LYS A 56 7.746 11.285 -4.414 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 6.139 10.159 -5.795 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 7.155 11.125 -6.753 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 7.374 9.442 -6.713 1.00 0.00 H new ATOM 858 N SER A 57 12.594 7.414 -2.570 1.00 0.00 N ATOM 859 CA SER A 57 13.955 7.241 -2.121 1.00 0.00 C ATOM 860 C SER A 57 14.478 5.851 -2.530 1.00 0.00 C ATOM 861 O SER A 57 13.904 5.197 -3.387 1.00 0.00 O ATOM 862 CB SER A 57 14.022 7.473 -0.592 1.00 0.00 C ATOM 863 OG SER A 57 15.362 7.550 -0.113 1.00 0.00 O ATOM 0 H SER A 57 11.889 7.025 -1.944 1.00 0.00 H new ATOM 0 HA SER A 57 14.605 7.975 -2.598 1.00 0.00 H new ATOM 0 HB2 SER A 57 13.497 8.395 -0.344 1.00 0.00 H new ATOM 0 HB3 SER A 57 13.502 6.663 -0.081 1.00 0.00 H new ATOM 0 HG SER A 57 15.355 7.699 0.856 1.00 0.00 H new ATOM 869 N GLU A 58 15.527 5.395 -1.879 1.00 0.00 N ATOM 870 CA GLU A 58 16.253 4.152 -2.223 1.00 0.00 C ATOM 871 C GLU A 58 15.442 2.873 -1.947 1.00 0.00 C ATOM 872 O GLU A 58 15.985 1.770 -1.952 1.00 0.00 O ATOM 873 CB GLU A 58 17.543 4.103 -1.419 1.00 0.00 C ATOM 874 CG GLU A 58 18.338 5.383 -1.489 1.00 0.00 C ATOM 875 CD GLU A 58 18.798 5.736 -2.880 1.00 0.00 C ATOM 876 OE1 GLU A 58 18.024 6.353 -3.636 1.00 0.00 O1- ATOM 877 OE2 GLU A 58 19.956 5.446 -3.226 1.00 0.00 O ATOM 0 H GLU A 58 15.923 5.878 -1.072 1.00 0.00 H new ATOM 0 HA GLU A 58 16.446 4.178 -3.295 1.00 0.00 H new ATOM 0 HB2 GLU A 58 17.306 3.887 -0.377 1.00 0.00 H new ATOM 0 HB3 GLU A 58 18.159 3.280 -1.783 1.00 0.00 H new ATOM 0 HG2 GLU A 58 17.730 6.199 -1.099 1.00 0.00 H new ATOM 0 HG3 GLU A 58 19.209 5.295 -0.839 1.00 0.00 H new ATOM 884 N PHE A 59 14.159 3.011 -1.751 1.00 0.00 N ATOM 885 CA PHE A 59 13.324 1.869 -1.456 1.00 0.00 C ATOM 886 C PHE A 59 12.310 1.713 -2.534 1.00 0.00 C ATOM 887 O PHE A 59 11.566 0.780 -2.513 1.00 0.00 O ATOM 888 CB PHE A 59 12.504 2.042 -0.193 1.00 0.00 C ATOM 889 CG PHE A 59 13.214 2.575 1.021 1.00 0.00 C ATOM 890 CD1 PHE A 59 13.396 3.938 1.195 1.00 0.00 C ATOM 891 CD2 PHE A 59 13.668 1.713 2.000 1.00 0.00 C ATOM 892 CE1 PHE A 59 14.021 4.429 2.322 1.00 0.00 C ATOM 893 CE2 PHE A 59 14.296 2.197 3.130 1.00 0.00 C ATOM 894 CZ PHE A 59 14.474 3.558 3.293 1.00 0.00 C ATOM 0 H PHE A 59 13.665 3.902 -1.789 1.00 0.00 H new ATOM 0 HA PHE A 59 14.005 1.024 -1.355 1.00 0.00 H new ATOM 0 HB2 PHE A 59 11.673 2.710 -0.419 1.00 0.00 H new ATOM 0 HB3 PHE A 59 12.074 1.074 0.065 1.00 0.00 H new ATOM 0 HD1 PHE A 59 13.044 4.624 0.439 1.00 0.00 H new ATOM 0 HD2 PHE A 59 13.530 0.649 1.880 1.00 0.00 H new ATOM 0 HE1 PHE A 59 14.156 5.493 2.445 1.00 0.00 H new ATOM 0 HE2 PHE A 59 14.648 1.512 3.887 1.00 0.00 H new ATOM 0 HZ PHE A 59 14.965 3.939 4.176 1.00 0.00 H new ATOM 904 N LYS A 60 12.290 2.620 -3.490 1.00 0.00 N ATOM 905 CA LYS A 60 11.219 2.653 -4.499 1.00 0.00 C ATOM 906 C LYS A 60 11.312 1.515 -5.492 1.00 0.00 C ATOM 907 O LYS A 60 10.465 1.345 -6.362 1.00 0.00 O ATOM 908 CB LYS A 60 11.170 4.016 -5.174 1.00 0.00 C ATOM 909 CG LYS A 60 12.444 4.411 -5.825 1.00 0.00 C ATOM 910 CD LYS A 60 12.376 5.755 -6.509 1.00 0.00 C ATOM 911 CE LYS A 60 13.729 6.089 -7.094 1.00 0.00 C ATOM 912 NZ LYS A 60 13.786 7.424 -7.692 1.00 0.00 N1+ ATOM 0 H LYS A 60 12.996 3.348 -3.600 1.00 0.00 H new ATOM 0 HA LYS A 60 10.272 2.501 -3.981 1.00 0.00 H new ATOM 0 HB2 LYS A 60 10.377 4.012 -5.922 1.00 0.00 H new ATOM 0 HB3 LYS A 60 10.904 4.769 -4.432 1.00 0.00 H new ATOM 0 HG2 LYS A 60 13.235 4.433 -5.075 1.00 0.00 H new ATOM 0 HG3 LYS A 60 12.720 3.652 -6.557 1.00 0.00 H new ATOM 0 HD2 LYS A 60 11.622 5.737 -7.296 1.00 0.00 H new ATOM 0 HD3 LYS A 60 12.076 6.523 -5.797 1.00 0.00 H new ATOM 0 HE2 LYS A 60 14.484 6.016 -6.311 1.00 0.00 H new ATOM 0 HE3 LYS A 60 13.983 5.348 -7.852 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 14.738 7.593 -8.075 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 13.087 7.491 -8.460 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 13.573 8.139 -6.967 1.00 0.00 H new ATOM 926 N ASP A 61 12.347 0.753 -5.356 1.00 0.00 N ATOM 927 CA ASP A 61 12.529 -0.449 -6.142 1.00 0.00 C ATOM 928 C ASP A 61 12.371 -1.647 -5.215 1.00 0.00 C ATOM 929 O ASP A 61 12.239 -2.784 -5.645 1.00 0.00 O ATOM 930 CB ASP A 61 13.924 -0.467 -6.787 1.00 0.00 C ATOM 931 CG ASP A 61 14.102 -1.615 -7.764 1.00 0.00 C ATOM 932 OD1 ASP A 61 14.532 -2.725 -7.363 1.00 0.00 O ATOM 933 OD2 ASP A 61 13.796 -1.426 -8.961 1.00 0.00 O1- ATOM 0 H ASP A 61 13.102 0.938 -4.695 1.00 0.00 H new ATOM 0 HA ASP A 61 11.789 -0.484 -6.941 1.00 0.00 H new ATOM 0 HB2 ASP A 61 14.092 0.476 -7.307 1.00 0.00 H new ATOM 0 HB3 ASP A 61 14.680 -0.540 -6.006 1.00 0.00 H new ATOM 938 N ARG A 62 12.312 -1.364 -3.932 1.00 0.00 N ATOM 939 CA ARG A 62 12.298 -2.388 -2.931 1.00 0.00 C ATOM 940 C ARG A 62 10.883 -2.642 -2.499 1.00 0.00 C ATOM 941 O ARG A 62 10.415 -3.772 -2.425 1.00 0.00 O ATOM 942 CB ARG A 62 13.134 -1.909 -1.756 1.00 0.00 C ATOM 943 CG ARG A 62 13.450 -2.962 -0.740 1.00 0.00 C ATOM 944 CD ARG A 62 14.320 -2.403 0.377 1.00 0.00 C ATOM 945 NE ARG A 62 14.743 -3.433 1.337 1.00 0.00 N ATOM 946 CZ ARG A 62 15.673 -3.259 2.296 1.00 0.00 C ATOM 947 NH1 ARG A 62 16.253 -2.081 2.473 1.00 0.00 N1+ ATOM 948 NH2 ARG A 62 16.006 -4.268 3.072 1.00 0.00 N ATOM 0 H ARG A 62 12.273 -0.415 -3.561 1.00 0.00 H new ATOM 0 HA ARG A 62 12.711 -3.318 -3.322 1.00 0.00 H new ATOM 0 HB2 ARG A 62 14.069 -1.499 -2.137 1.00 0.00 H new ATOM 0 HB3 ARG A 62 12.607 -1.093 -1.261 1.00 0.00 H new ATOM 0 HG2 ARG A 62 12.524 -3.357 -0.321 1.00 0.00 H new ATOM 0 HG3 ARG A 62 13.962 -3.795 -1.222 1.00 0.00 H new ATOM 0 HD2 ARG A 62 15.202 -1.932 -0.056 1.00 0.00 H new ATOM 0 HD3 ARG A 62 13.770 -1.624 0.905 1.00 0.00 H new ATOM 0 HE ARG A 62 14.299 -4.349 1.272 1.00 0.00 H new ATOM 0 HH11 ARG A 62 15.997 -1.292 1.879 1.00 0.00 H new ATOM 0 HH12 ARG A 62 16.956 -1.963 3.203 1.00 0.00 H new ATOM 0 HH21 ARG A 62 15.561 -5.177 2.946 1.00 0.00 H new ATOM 0 HH22 ARG A 62 16.710 -4.141 3.800 1.00 0.00 H new ATOM 962 N VAL A 63 10.249 -1.579 -2.197 1.00 0.00 N ATOM 963 CA VAL A 63 8.887 -1.531 -1.757 1.00 0.00 C ATOM 964 C VAL A 63 8.206 -0.375 -2.462 1.00 0.00 C ATOM 965 O VAL A 63 8.807 0.673 -2.661 1.00 0.00 O ATOM 966 CB VAL A 63 8.818 -1.212 -0.256 1.00 0.00 C ATOM 967 CG1 VAL A 63 7.401 -1.220 0.296 1.00 0.00 C ATOM 968 CG2 VAL A 63 9.742 -2.064 0.553 1.00 0.00 C ATOM 0 H VAL A 63 10.680 -0.656 -2.249 1.00 0.00 H new ATOM 0 HA VAL A 63 8.418 -2.492 -1.967 1.00 0.00 H new ATOM 0 HB VAL A 63 9.170 -0.185 -0.160 1.00 0.00 H new ATOM 0 HG11 VAL A 63 7.424 -0.987 1.361 1.00 0.00 H new ATOM 0 HG12 VAL A 63 6.803 -0.473 -0.226 1.00 0.00 H new ATOM 0 HG13 VAL A 63 6.959 -2.206 0.149 1.00 0.00 H new ATOM 0 HG21 VAL A 63 9.654 -1.798 1.606 1.00 0.00 H new ATOM 0 HG22 VAL A 63 9.479 -3.113 0.421 1.00 0.00 H new ATOM 0 HG23 VAL A 63 10.768 -1.903 0.223 1.00 0.00 H new ATOM 978 N VAL A 64 6.996 -0.562 -2.836 1.00 0.00 N ATOM 979 CA VAL A 64 6.209 0.491 -3.398 1.00 0.00 C ATOM 980 C VAL A 64 4.961 0.603 -2.588 1.00 0.00 C ATOM 981 O VAL A 64 4.336 -0.405 -2.258 1.00 0.00 O ATOM 982 CB VAL A 64 5.897 0.272 -4.911 1.00 0.00 C ATOM 983 CG1 VAL A 64 4.863 1.279 -5.423 1.00 0.00 C ATOM 984 CG2 VAL A 64 7.171 0.437 -5.707 1.00 0.00 C ATOM 0 H VAL A 64 6.511 -1.456 -2.764 1.00 0.00 H new ATOM 0 HA VAL A 64 6.774 1.423 -3.359 1.00 0.00 H new ATOM 0 HB VAL A 64 5.490 -0.732 -5.031 1.00 0.00 H new ATOM 0 HG11 VAL A 64 4.670 1.097 -6.480 1.00 0.00 H new ATOM 0 HG12 VAL A 64 3.936 1.167 -4.860 1.00 0.00 H new ATOM 0 HG13 VAL A 64 5.246 2.291 -5.293 1.00 0.00 H new ATOM 0 HG21 VAL A 64 6.961 0.285 -6.766 1.00 0.00 H new ATOM 0 HG22 VAL A 64 7.567 1.441 -5.556 1.00 0.00 H new ATOM 0 HG23 VAL A 64 7.905 -0.296 -5.374 1.00 0.00 H new ATOM 994 N ILE A 65 4.646 1.791 -2.183 1.00 0.00 N ATOM 995 CA ILE A 65 3.474 2.012 -1.439 1.00 0.00 C ATOM 996 C ILE A 65 2.420 2.416 -2.450 1.00 0.00 C ATOM 997 O ILE A 65 2.646 3.348 -3.235 1.00 0.00 O ATOM 998 CB ILE A 65 3.717 3.140 -0.391 1.00 0.00 C ATOM 999 CG1 ILE A 65 5.001 2.858 0.426 1.00 0.00 C ATOM 1000 CG2 ILE A 65 2.536 3.281 0.549 1.00 0.00 C ATOM 1001 CD1 ILE A 65 4.990 1.548 1.189 1.00 0.00 C ATOM 0 H ILE A 65 5.201 2.627 -2.365 1.00 0.00 H new ATOM 0 HA ILE A 65 3.162 1.128 -0.883 1.00 0.00 H new ATOM 0 HB ILE A 65 3.838 4.075 -0.938 1.00 0.00 H new ATOM 0 HG12 ILE A 65 5.855 2.861 -0.252 1.00 0.00 H new ATOM 0 HG13 ILE A 65 5.152 3.674 1.133 1.00 0.00 H new ATOM 0 HG21 ILE A 65 2.736 4.076 1.268 1.00 0.00 H new ATOM 0 HG22 ILE A 65 1.642 3.527 -0.024 1.00 0.00 H new ATOM 0 HG23 ILE A 65 2.380 2.342 1.080 1.00 0.00 H new ATOM 0 HD11 ILE A 65 5.929 1.435 1.732 1.00 0.00 H new ATOM 0 HD12 ILE A 65 4.160 1.545 1.895 1.00 0.00 H new ATOM 0 HD13 ILE A 65 4.874 0.720 0.489 1.00 0.00 H new ATOM 1013 N ALA A 66 1.335 1.692 -2.493 1.00 0.00 N ATOM 1014 CA ALA A 66 0.271 1.942 -3.435 1.00 0.00 C ATOM 1015 C ALA A 66 -1.085 1.941 -2.731 1.00 0.00 C ATOM 1016 O ALA A 66 -1.230 1.379 -1.659 1.00 0.00 O ATOM 1017 CB ALA A 66 0.304 0.877 -4.511 1.00 0.00 C ATOM 0 H ALA A 66 1.160 0.903 -1.870 1.00 0.00 H new ATOM 0 HA ALA A 66 0.415 2.924 -3.886 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -0.497 1.059 -5.227 1.00 0.00 H new ATOM 0 HB2 ALA A 66 1.265 0.909 -5.025 1.00 0.00 H new ATOM 0 HB3 ALA A 66 0.168 -0.104 -4.056 1.00 0.00 H new ATOM 1023 N LYS A 67 -2.079 2.558 -3.325 1.00 0.00 N ATOM 1024 CA LYS A 67 -3.378 2.572 -2.729 1.00 0.00 C ATOM 1025 C LYS A 67 -4.424 2.688 -3.789 1.00 0.00 C ATOM 1026 O LYS A 67 -4.253 3.433 -4.753 1.00 0.00 O ATOM 1027 CB LYS A 67 -3.534 3.653 -1.630 1.00 0.00 C ATOM 1028 CG LYS A 67 -3.369 5.103 -2.047 1.00 0.00 C ATOM 1029 CD LYS A 67 -3.645 6.001 -0.848 1.00 0.00 C ATOM 1030 CE LYS A 67 -3.628 7.466 -1.205 1.00 0.00 C ATOM 1031 NZ LYS A 67 -3.933 8.315 -0.030 1.00 0.00 N1+ ATOM 0 H LYS A 67 -2.006 3.052 -4.215 1.00 0.00 H new ATOM 0 HA LYS A 67 -3.512 1.622 -2.211 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -4.523 3.541 -1.186 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -2.807 3.443 -0.846 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -2.359 5.274 -2.421 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -4.054 5.341 -2.860 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -4.616 5.746 -0.423 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -2.899 5.810 -0.076 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -2.649 7.733 -1.604 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -4.356 7.658 -1.993 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -4.229 9.259 -0.351 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -4.700 7.881 0.522 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -3.084 8.402 0.565 1.00 0.00 H new ATOM 1045 N VAL A 68 -5.484 1.960 -3.624 1.00 0.00 N ATOM 1046 CA VAL A 68 -6.532 1.914 -4.602 1.00 0.00 C ATOM 1047 C VAL A 68 -7.796 2.467 -4.002 1.00 0.00 C ATOM 1048 O VAL A 68 -8.103 2.233 -2.818 1.00 0.00 O ATOM 1049 CB VAL A 68 -6.780 0.455 -5.142 1.00 0.00 C ATOM 1050 CG1 VAL A 68 -7.204 -0.453 -4.022 1.00 0.00 C ATOM 1051 CG2 VAL A 68 -7.851 0.436 -6.232 1.00 0.00 C ATOM 0 H VAL A 68 -5.650 1.377 -2.804 1.00 0.00 H new ATOM 0 HA VAL A 68 -6.224 2.521 -5.453 1.00 0.00 H new ATOM 0 HB VAL A 68 -5.841 0.103 -5.568 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -7.371 -1.457 -4.411 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -6.422 -0.484 -3.263 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -8.126 -0.077 -3.578 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -7.996 -0.586 -6.582 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -8.788 0.818 -5.828 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -7.533 1.063 -7.065 1.00 0.00 H new ATOM 1061 N ASP A 69 -8.508 3.213 -4.770 1.00 0.00 N ATOM 1062 CA ASP A 69 -9.748 3.736 -4.303 1.00 0.00 C ATOM 1063 C ASP A 69 -10.790 2.682 -4.563 1.00 0.00 C ATOM 1064 O ASP A 69 -11.143 2.428 -5.714 1.00 0.00 O ATOM 1065 CB ASP A 69 -10.112 5.040 -4.997 1.00 0.00 C ATOM 1066 CG ASP A 69 -11.316 5.682 -4.378 1.00 0.00 C ATOM 1067 OD1 ASP A 69 -12.360 5.056 -4.353 1.00 0.00 O1- ATOM 1068 OD2 ASP A 69 -11.222 6.834 -3.900 1.00 0.00 O ATOM 0 H ASP A 69 -8.257 3.476 -5.723 1.00 0.00 H new ATOM 0 HA ASP A 69 -9.680 3.970 -3.241 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -9.267 5.727 -4.946 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -10.304 4.849 -6.053 1.00 0.00 H new ATOM 1073 N ALA A 70 -11.275 2.094 -3.502 1.00 0.00 N ATOM 1074 CA ALA A 70 -12.176 0.950 -3.549 1.00 0.00 C ATOM 1075 C ALA A 70 -13.605 1.354 -3.861 1.00 0.00 C ATOM 1076 O ALA A 70 -14.465 0.505 -4.110 1.00 0.00 O ATOM 1077 CB ALA A 70 -12.137 0.247 -2.204 1.00 0.00 C ATOM 0 H ALA A 70 -11.055 2.397 -2.553 1.00 0.00 H new ATOM 0 HA ALA A 70 -11.842 0.289 -4.349 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -12.807 -0.613 -2.223 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -11.121 -0.090 -1.999 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -12.455 0.938 -1.423 1.00 0.00 H new ATOM 1083 N THR A 71 -13.863 2.622 -3.845 1.00 0.00 N ATOM 1084 CA THR A 71 -15.207 3.093 -4.034 1.00 0.00 C ATOM 1085 C THR A 71 -15.370 3.796 -5.390 1.00 0.00 C ATOM 1086 O THR A 71 -16.483 3.960 -5.894 1.00 0.00 O ATOM 1087 CB THR A 71 -15.660 3.984 -2.833 1.00 0.00 C ATOM 1088 OG1 THR A 71 -17.022 4.399 -2.951 1.00 0.00 O ATOM 1089 CG2 THR A 71 -14.774 5.190 -2.661 1.00 0.00 C ATOM 0 H THR A 71 -13.166 3.353 -3.704 1.00 0.00 H new ATOM 0 HA THR A 71 -15.872 2.230 -4.055 1.00 0.00 H new ATOM 0 HB THR A 71 -15.569 3.357 -1.946 1.00 0.00 H new ATOM 0 HG1 THR A 71 -17.408 4.513 -2.057 1.00 0.00 H new ATOM 0 HG21 THR A 71 -15.125 5.781 -1.815 1.00 0.00 H new ATOM 0 HG22 THR A 71 -13.750 4.866 -2.477 1.00 0.00 H new ATOM 0 HG23 THR A 71 -14.806 5.797 -3.566 1.00 0.00 H new ATOM 1097 N ALA A 72 -14.264 4.191 -5.981 1.00 0.00 N ATOM 1098 CA ALA A 72 -14.273 4.798 -7.279 1.00 0.00 C ATOM 1099 C ALA A 72 -13.961 3.731 -8.266 1.00 0.00 C ATOM 1100 O ALA A 72 -14.447 3.732 -9.402 1.00 0.00 O ATOM 1101 CB ALA A 72 -13.233 5.903 -7.364 1.00 0.00 C ATOM 0 H ALA A 72 -13.336 4.097 -5.569 1.00 0.00 H new ATOM 0 HA ALA A 72 -15.246 5.246 -7.480 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -13.257 6.350 -8.358 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -13.451 6.666 -6.617 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -12.243 5.486 -7.178 1.00 0.00 H new ATOM 1107 N ASN A 73 -13.148 2.812 -7.827 1.00 0.00 N ATOM 1108 CA ASN A 73 -12.763 1.715 -8.625 1.00 0.00 C ATOM 1109 C ASN A 73 -13.129 0.466 -7.877 1.00 0.00 C ATOM 1110 O ASN A 73 -12.469 0.102 -6.907 1.00 0.00 O ATOM 1111 CB ASN A 73 -11.255 1.732 -8.912 1.00 0.00 C ATOM 1112 CG ASN A 73 -10.722 3.061 -9.397 1.00 0.00 C ATOM 1113 OD1 ASN A 73 -10.703 3.344 -10.588 1.00 0.00 O ATOM 1114 ND2 ASN A 73 -10.259 3.871 -8.479 1.00 0.00 N ATOM 0 H ASN A 73 -12.737 2.816 -6.893 1.00 0.00 H new ATOM 0 HA ASN A 73 -13.273 1.762 -9.587 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -10.722 1.451 -8.003 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -11.032 0.971 -9.660 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -9.865 4.773 -8.746 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -10.292 3.600 -7.496 1.00 0.00 H new ATOM 1121 N ASP A 74 -14.220 -0.143 -8.270 1.00 0.00 N ATOM 1122 CA ASP A 74 -14.702 -1.358 -7.628 1.00 0.00 C ATOM 1123 C ASP A 74 -13.705 -2.473 -7.789 1.00 0.00 C ATOM 1124 O ASP A 74 -13.402 -2.906 -8.904 1.00 0.00 O ATOM 1125 CB ASP A 74 -16.072 -1.771 -8.171 1.00 0.00 C ATOM 1126 CG ASP A 74 -16.550 -3.121 -7.653 1.00 0.00 C ATOM 1127 OD1 ASP A 74 -16.928 -3.232 -6.473 1.00 0.00 O1- ATOM 1128 OD2 ASP A 74 -16.578 -4.099 -8.439 1.00 0.00 O ATOM 0 H ASP A 74 -14.803 0.182 -9.041 1.00 0.00 H new ATOM 0 HA ASP A 74 -14.818 -1.150 -6.564 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -16.804 -1.009 -7.905 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -16.028 -1.804 -9.260 1.00 0.00 H new ATOM 1133 N VAL A 75 -13.183 -2.909 -6.689 1.00 0.00 N ATOM 1134 CA VAL A 75 -12.196 -3.945 -6.683 1.00 0.00 C ATOM 1135 C VAL A 75 -12.856 -5.310 -6.532 1.00 0.00 C ATOM 1136 O VAL A 75 -13.882 -5.438 -5.854 1.00 0.00 O ATOM 1137 CB VAL A 75 -11.123 -3.738 -5.577 1.00 0.00 C ATOM 1138 CG1 VAL A 75 -10.394 -2.419 -5.783 1.00 0.00 C ATOM 1139 CG2 VAL A 75 -11.735 -3.810 -4.181 1.00 0.00 C ATOM 0 H VAL A 75 -13.429 -2.557 -5.764 1.00 0.00 H new ATOM 0 HA VAL A 75 -11.681 -3.899 -7.643 1.00 0.00 H new ATOM 0 HB VAL A 75 -10.400 -4.550 -5.657 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -9.647 -2.290 -5.000 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -9.903 -2.423 -6.756 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -11.109 -1.598 -5.741 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -10.955 -3.661 -3.434 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -12.492 -3.033 -4.075 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -12.195 -4.787 -4.035 1.00 0.00 H new ATOM 1149 N PRO A 76 -12.297 -6.331 -7.180 1.00 0.00 N ATOM 1150 CA PRO A 76 -12.826 -7.704 -7.129 1.00 0.00 C ATOM 1151 C PRO A 76 -12.216 -8.519 -5.982 1.00 0.00 C ATOM 1152 O PRO A 76 -12.517 -9.703 -5.802 1.00 0.00 O ATOM 1153 CB PRO A 76 -12.327 -8.259 -8.451 1.00 0.00 C ATOM 1154 CG PRO A 76 -10.967 -7.659 -8.561 1.00 0.00 C ATOM 1155 CD PRO A 76 -11.119 -6.245 -8.085 1.00 0.00 C ATOM 0 HA PRO A 76 -13.904 -7.739 -6.973 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -12.291 -9.348 -8.446 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -12.968 -7.966 -9.282 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -10.246 -8.204 -7.951 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -10.605 -7.691 -9.588 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -10.230 -5.896 -7.560 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -11.292 -5.556 -8.911 1.00 0.00 H new ATOM 1163 N ASP A 77 -11.339 -7.885 -5.237 1.00 0.00 N ATOM 1164 CA ASP A 77 -10.630 -8.558 -4.172 1.00 0.00 C ATOM 1165 C ASP A 77 -11.518 -8.706 -2.923 1.00 0.00 C ATOM 1166 O ASP A 77 -12.676 -8.256 -2.914 1.00 0.00 O ATOM 1167 CB ASP A 77 -9.316 -7.846 -3.851 1.00 0.00 C ATOM 1168 CG ASP A 77 -8.329 -8.777 -3.174 1.00 0.00 C ATOM 1169 OD1 ASP A 77 -7.608 -9.513 -3.880 1.00 0.00 O1- ATOM 1170 OD2 ASP A 77 -8.275 -8.818 -1.940 1.00 0.00 O ATOM 0 H ASP A 77 -11.099 -6.900 -5.350 1.00 0.00 H new ATOM 0 HA ASP A 77 -10.380 -9.562 -4.514 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -8.878 -7.457 -4.770 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -9.513 -6.991 -3.204 1.00 0.00 H new ATOM 1175 N GLU A 78 -10.981 -9.283 -1.882 1.00 0.00 N ATOM 1176 CA GLU A 78 -11.739 -9.626 -0.727 1.00 0.00 C ATOM 1177 C GLU A 78 -11.285 -8.788 0.461 1.00 0.00 C ATOM 1178 O GLU A 78 -10.200 -8.984 1.027 1.00 0.00 O ATOM 1179 CB GLU A 78 -11.582 -11.115 -0.471 1.00 0.00 C ATOM 1180 CG GLU A 78 -12.508 -11.689 0.564 1.00 0.00 C ATOM 1181 CD GLU A 78 -12.297 -13.168 0.719 1.00 0.00 C ATOM 1182 OE1 GLU A 78 -12.855 -13.953 -0.082 1.00 0.00 O ATOM 1183 OE2 GLU A 78 -11.563 -13.574 1.631 1.00 0.00 O1- ATOM 0 H GLU A 78 -9.993 -9.528 -1.819 1.00 0.00 H new ATOM 0 HA GLU A 78 -12.796 -9.412 -0.882 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -11.738 -11.647 -1.410 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -10.554 -11.308 -0.162 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -12.342 -11.193 1.520 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -13.542 -11.494 0.279 1.00 0.00 H new ATOM 1190 N ILE A 79 -12.112 -7.854 0.806 1.00 0.00 N ATOM 1191 CA ILE A 79 -11.854 -6.904 1.852 1.00 0.00 C ATOM 1192 C ILE A 79 -12.493 -7.344 3.162 1.00 0.00 C ATOM 1193 O ILE A 79 -13.635 -7.790 3.181 1.00 0.00 O ATOM 1194 CB ILE A 79 -12.348 -5.516 1.390 1.00 0.00 C ATOM 1195 CG1 ILE A 79 -11.441 -5.030 0.256 1.00 0.00 C ATOM 1196 CG2 ILE A 79 -12.431 -4.511 2.519 1.00 0.00 C ATOM 1197 CD1 ILE A 79 -11.765 -3.664 -0.252 1.00 0.00 C ATOM 0 H ILE A 79 -13.017 -7.723 0.355 1.00 0.00 H new ATOM 0 HA ILE A 79 -10.783 -6.844 2.047 1.00 0.00 H new ATOM 0 HB ILE A 79 -13.371 -5.614 1.027 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -10.408 -5.039 0.604 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -11.505 -5.736 -0.572 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -12.784 -3.556 2.131 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -13.125 -4.873 3.278 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -11.444 -4.380 2.963 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -11.074 -3.400 -1.053 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -12.786 -3.651 -0.634 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -11.672 -2.942 0.560 1.00 0.00 H new ATOM 1209 N GLN A 80 -11.746 -7.215 4.250 1.00 0.00 N ATOM 1210 CA GLN A 80 -12.195 -7.681 5.561 1.00 0.00 C ATOM 1211 C GLN A 80 -12.993 -6.629 6.329 1.00 0.00 C ATOM 1212 O GLN A 80 -13.535 -6.910 7.391 1.00 0.00 O ATOM 1213 CB GLN A 80 -11.007 -8.249 6.380 1.00 0.00 C ATOM 1214 CG GLN A 80 -9.807 -7.305 6.565 1.00 0.00 C ATOM 1215 CD GLN A 80 -9.749 -6.570 7.911 1.00 0.00 C ATOM 1216 OE1 GLN A 80 -10.876 -6.291 8.524 1.00 0.00 O flip ATOM 1217 NE2 GLN A 80 -8.666 -6.270 8.396 1.00 0.00 N flip ATOM 0 H GLN A 80 -10.819 -6.789 4.253 1.00 0.00 H new ATOM 0 HA GLN A 80 -12.896 -8.498 5.390 1.00 0.00 H new ATOM 0 HB2 GLN A 80 -11.374 -8.536 7.365 1.00 0.00 H new ATOM 0 HB3 GLN A 80 -10.657 -9.159 5.893 1.00 0.00 H new ATOM 0 HG2 GLN A 80 -8.890 -7.883 6.446 1.00 0.00 H new ATOM 0 HG3 GLN A 80 -9.823 -6.564 5.766 1.00 0.00 H new ATOM 0 HE21 GLN A 80 -7.804 -6.498 7.900 1.00 0.00 H new ATOM 0 HE22 GLN A 80 -8.625 -5.792 9.296 1.00 0.00 H new ATOM 1226 N GLY A 81 -13.007 -5.437 5.819 1.00 0.00 N ATOM 1227 CA GLY A 81 -13.796 -4.359 6.394 1.00 0.00 C ATOM 1228 C GLY A 81 -14.292 -3.502 5.276 1.00 0.00 C ATOM 1229 O GLY A 81 -15.051 -3.983 4.418 1.00 0.00 O ATOM 0 H GLY A 81 -12.475 -5.170 4.991 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -14.632 -4.762 6.965 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -13.192 -3.771 7.085 1.00 0.00 H new ATOM 1233 N PHE A 82 -13.878 -2.269 5.239 1.00 0.00 N ATOM 1234 CA PHE A 82 -14.118 -1.468 4.067 1.00 0.00 C ATOM 1235 C PHE A 82 -12.786 -1.041 3.451 1.00 0.00 C ATOM 1236 O PHE A 82 -12.533 -1.345 2.286 1.00 0.00 O ATOM 1237 CB PHE A 82 -15.128 -0.317 4.244 1.00 0.00 C ATOM 1238 CG PHE A 82 -15.376 0.402 2.955 1.00 0.00 C ATOM 1239 CD1 PHE A 82 -16.269 -0.114 2.044 1.00 0.00 C ATOM 1240 CD2 PHE A 82 -14.699 1.575 2.638 1.00 0.00 C ATOM 1241 CE1 PHE A 82 -16.503 0.516 0.847 1.00 0.00 C ATOM 1242 CE2 PHE A 82 -14.927 2.208 1.441 1.00 0.00 C ATOM 1243 CZ PHE A 82 -15.831 1.678 0.542 1.00 0.00 C ATOM 0 H PHE A 82 -13.379 -1.798 5.994 1.00 0.00 H new ATOM 0 HA PHE A 82 -14.638 -2.106 3.353 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -16.068 -0.713 4.627 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -14.752 0.386 4.987 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -16.794 -1.029 2.274 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -13.989 1.991 3.338 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -17.212 0.101 0.146 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -14.400 3.120 1.203 1.00 0.00 H new ATOM 0 HZ PHE A 82 -16.011 2.175 -0.400 1.00 0.00 H new ATOM 1253 N PRO A 83 -11.897 -0.322 4.174 1.00 0.00 N ATOM 1254 CA PRO A 83 -10.564 -0.142 3.703 1.00 0.00 C ATOM 1255 C PRO A 83 -9.708 -1.286 4.175 1.00 0.00 C ATOM 1256 O PRO A 83 -10.025 -1.947 5.184 1.00 0.00 O ATOM 1257 CB PRO A 83 -10.109 1.163 4.328 1.00 0.00 C ATOM 1258 CG PRO A 83 -11.277 1.658 5.117 1.00 0.00 C ATOM 1259 CD PRO A 83 -12.095 0.438 5.409 1.00 0.00 C ATOM 0 HA PRO A 83 -10.496 -0.115 2.615 1.00 0.00 H new ATOM 0 HB2 PRO A 83 -9.240 1.009 4.968 1.00 0.00 H new ATOM 0 HB3 PRO A 83 -9.818 1.884 3.564 1.00 0.00 H new ATOM 0 HG2 PRO A 83 -10.954 2.145 6.037 1.00 0.00 H new ATOM 0 HG3 PRO A 83 -11.852 2.392 4.552 1.00 0.00 H new ATOM 0 HD2 PRO A 83 -11.738 -0.099 6.288 1.00 0.00 H new ATOM 0 HD3 PRO A 83 -13.144 0.675 5.585 1.00 0.00 H new ATOM 1267 N THR A 84 -8.656 -1.532 3.499 1.00 0.00 N ATOM 1268 CA THR A 84 -7.854 -2.690 3.790 1.00 0.00 C ATOM 1269 C THR A 84 -6.449 -2.522 3.250 1.00 0.00 C ATOM 1270 O THR A 84 -6.257 -2.013 2.174 1.00 0.00 O ATOM 1271 CB THR A 84 -8.552 -3.998 3.227 1.00 0.00 C ATOM 1272 OG1 THR A 84 -9.723 -4.325 4.008 1.00 0.00 O ATOM 1273 CG2 THR A 84 -7.633 -5.201 3.179 1.00 0.00 C ATOM 0 H THR A 84 -8.314 -0.954 2.732 1.00 0.00 H new ATOM 0 HA THR A 84 -7.771 -2.798 4.871 1.00 0.00 H new ATOM 0 HB THR A 84 -8.833 -3.765 2.200 1.00 0.00 H new ATOM 0 HG1 THR A 84 -9.819 -3.680 4.739 1.00 0.00 H new ATOM 0 HG21 THR A 84 -8.177 -6.059 2.784 1.00 0.00 H new ATOM 0 HG22 THR A 84 -6.782 -4.983 2.534 1.00 0.00 H new ATOM 0 HG23 THR A 84 -7.278 -5.428 4.184 1.00 0.00 H new ATOM 1281 N ILE A 85 -5.490 -2.894 4.024 1.00 0.00 N ATOM 1282 CA ILE A 85 -4.135 -2.874 3.596 1.00 0.00 C ATOM 1283 C ILE A 85 -3.753 -4.284 3.247 1.00 0.00 C ATOM 1284 O ILE A 85 -4.153 -5.203 3.902 1.00 0.00 O ATOM 1285 CB ILE A 85 -3.171 -2.312 4.680 1.00 0.00 C ATOM 1286 CG1 ILE A 85 -3.523 -0.864 5.011 1.00 0.00 C ATOM 1287 CG2 ILE A 85 -1.702 -2.434 4.257 1.00 0.00 C ATOM 1288 CD1 ILE A 85 -2.565 -0.218 5.980 1.00 0.00 C ATOM 0 H ILE A 85 -5.625 -3.223 4.980 1.00 0.00 H new ATOM 0 HA ILE A 85 -4.046 -2.210 2.736 1.00 0.00 H new ATOM 0 HB ILE A 85 -3.299 -2.916 5.579 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -3.541 -0.283 4.089 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -4.529 -0.830 5.429 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -1.063 -2.030 5.042 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -1.457 -3.483 4.093 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -1.541 -1.875 3.335 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -2.876 0.809 6.169 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -2.564 -0.775 6.917 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -1.561 -0.220 5.555 1.00 0.00 H new ATOM 1300 N LYS A 86 -3.073 -4.445 2.194 1.00 0.00 N ATOM 1301 CA LYS A 86 -2.594 -5.726 1.786 1.00 0.00 C ATOM 1302 C LYS A 86 -1.177 -5.578 1.330 1.00 0.00 C ATOM 1303 O LYS A 86 -0.888 -4.796 0.444 1.00 0.00 O ATOM 1304 CB LYS A 86 -3.438 -6.350 0.665 1.00 0.00 C ATOM 1305 CG LYS A 86 -4.901 -6.606 1.008 1.00 0.00 C ATOM 1306 CD LYS A 86 -5.631 -7.335 -0.117 1.00 0.00 C ATOM 1307 CE LYS A 86 -5.191 -8.787 -0.221 1.00 0.00 C ATOM 1308 NZ LYS A 86 -5.809 -9.478 -1.364 1.00 0.00 N1+ ATOM 0 H LYS A 86 -2.818 -3.684 1.564 1.00 0.00 H new ATOM 0 HA LYS A 86 -2.665 -6.399 2.640 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -3.397 -5.694 -0.205 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -2.981 -7.296 0.373 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -4.961 -7.196 1.922 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -5.398 -5.657 1.208 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -6.706 -7.292 0.058 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -5.441 -6.828 -1.063 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -4.106 -8.829 -0.317 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -5.450 -9.310 0.700 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -5.690 -10.505 -1.254 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -6.823 -9.249 -1.401 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -5.352 -9.169 -2.245 1.00 0.00 H new ATOM 1322 N LEU A 87 -0.306 -6.291 1.944 1.00 0.00 N ATOM 1323 CA LEU A 87 1.083 -6.237 1.599 1.00 0.00 C ATOM 1324 C LEU A 87 1.368 -7.410 0.720 1.00 0.00 C ATOM 1325 O LEU A 87 1.217 -8.542 1.165 1.00 0.00 O ATOM 1326 CB LEU A 87 1.905 -6.281 2.916 1.00 0.00 C ATOM 1327 CG LEU A 87 3.506 -6.247 2.907 1.00 0.00 C ATOM 1328 CD1 LEU A 87 4.099 -7.537 2.439 1.00 0.00 C ATOM 1329 CD2 LEU A 87 4.013 -5.129 2.026 1.00 0.00 C ATOM 0 H LEU A 87 -0.528 -6.934 2.704 1.00 0.00 H new ATOM 0 HA LEU A 87 1.350 -5.326 1.064 1.00 0.00 H new ATOM 0 HB2 LEU A 87 1.574 -5.439 3.524 1.00 0.00 H new ATOM 0 HB3 LEU A 87 1.611 -7.189 3.442 1.00 0.00 H new ATOM 0 HG LEU A 87 3.816 -6.080 3.939 1.00 0.00 H new ATOM 0 HD11 LEU A 87 5.186 -7.463 2.451 1.00 0.00 H new ATOM 0 HD12 LEU A 87 3.783 -8.344 3.100 1.00 0.00 H new ATOM 0 HD13 LEU A 87 3.761 -7.746 1.424 1.00 0.00 H new ATOM 0 HD21 LEU A 87 5.103 -5.125 2.035 1.00 0.00 H new ATOM 0 HD22 LEU A 87 3.659 -5.280 1.006 1.00 0.00 H new ATOM 0 HD23 LEU A 87 3.643 -4.174 2.401 1.00 0.00 H new ATOM 1341 N TYR A 88 1.677 -7.157 -0.523 1.00 0.00 N ATOM 1342 CA TYR A 88 2.101 -8.200 -1.420 1.00 0.00 C ATOM 1343 C TYR A 88 3.598 -8.195 -1.440 1.00 0.00 C ATOM 1344 O TYR A 88 4.196 -7.309 -2.034 1.00 0.00 O ATOM 1345 CB TYR A 88 1.569 -8.035 -2.869 1.00 0.00 C ATOM 1346 CG TYR A 88 0.090 -8.246 -3.046 1.00 0.00 C ATOM 1347 CD1 TYR A 88 -0.844 -7.376 -2.495 1.00 0.00 C ATOM 1348 CD2 TYR A 88 -0.373 -9.338 -3.756 1.00 0.00 C ATOM 1349 CE1 TYR A 88 -2.195 -7.595 -2.654 1.00 0.00 C ATOM 1350 CE2 TYR A 88 -1.715 -9.568 -3.913 1.00 0.00 C ATOM 1351 CZ TYR A 88 -2.621 -8.700 -3.361 1.00 0.00 C ATOM 1352 OH TYR A 88 -3.959 -8.955 -3.493 1.00 0.00 O ATOM 0 H TYR A 88 1.643 -6.228 -0.942 1.00 0.00 H new ATOM 0 HA TYR A 88 1.692 -9.142 -1.055 1.00 0.00 H new ATOM 0 HB2 TYR A 88 1.819 -7.033 -3.217 1.00 0.00 H new ATOM 0 HB3 TYR A 88 2.098 -8.737 -3.513 1.00 0.00 H new ATOM 0 HD1 TYR A 88 -0.506 -6.517 -1.935 1.00 0.00 H new ATOM 0 HD2 TYR A 88 0.337 -10.023 -4.196 1.00 0.00 H new ATOM 0 HE1 TYR A 88 -2.913 -6.909 -2.230 1.00 0.00 H new ATOM 0 HE2 TYR A 88 -2.057 -10.429 -4.469 1.00 0.00 H new ATOM 0 HH TYR A 88 -4.449 -8.108 -3.551 1.00 0.00 H new ATOM 1362 N PRO A 89 4.239 -9.108 -0.705 1.00 0.00 N ATOM 1363 CA PRO A 89 5.670 -9.209 -0.704 1.00 0.00 C ATOM 1364 C PRO A 89 6.141 -9.629 -2.024 1.00 0.00 C ATOM 1365 O PRO A 89 5.391 -10.288 -2.797 1.00 0.00 O ATOM 1366 CB PRO A 89 5.972 -10.367 0.227 1.00 0.00 C ATOM 1367 CG PRO A 89 4.698 -11.083 0.393 1.00 0.00 C ATOM 1368 CD PRO A 89 3.632 -10.080 0.189 1.00 0.00 C ATOM 0 HA PRO A 89 6.131 -8.261 -0.425 1.00 0.00 H new ATOM 0 HB2 PRO A 89 6.737 -11.020 -0.194 1.00 0.00 H new ATOM 0 HB3 PRO A 89 6.350 -10.011 1.186 1.00 0.00 H new ATOM 0 HG2 PRO A 89 4.611 -11.896 -0.328 1.00 0.00 H new ATOM 0 HG3 PRO A 89 4.628 -11.529 1.385 1.00 0.00 H new ATOM 0 HD2 PRO A 89 2.741 -10.527 -0.251 1.00 0.00 H new ATOM 0 HD3 PRO A 89 3.327 -9.623 1.130 1.00 0.00 H new ATOM 1376 N ALA A 90 7.361 -9.370 -2.287 1.00 0.00 N ATOM 1377 CA ALA A 90 7.903 -9.857 -3.487 1.00 0.00 C ATOM 1378 C ALA A 90 8.298 -11.285 -3.295 1.00 0.00 C ATOM 1379 O ALA A 90 9.459 -11.627 -3.049 1.00 0.00 O ATOM 1380 CB ALA A 90 9.063 -9.039 -3.947 1.00 0.00 C ATOM 0 H ALA A 90 7.995 -8.831 -1.697 1.00 0.00 H new ATOM 0 HA ALA A 90 7.145 -9.787 -4.267 1.00 0.00 H new ATOM 0 HB1 ALA A 90 9.452 -9.451 -4.878 1.00 0.00 H new ATOM 0 HB2 ALA A 90 8.741 -8.011 -4.111 1.00 0.00 H new ATOM 0 HB3 ALA A 90 9.845 -9.057 -3.188 1.00 0.00 H new ATOM 1386 N GLY A 91 7.293 -12.094 -3.321 1.00 0.00 N ATOM 1387 CA GLY A 91 7.452 -13.498 -3.329 1.00 0.00 C ATOM 1388 C GLY A 91 6.201 -14.159 -2.887 1.00 0.00 C ATOM 1389 O GLY A 91 5.769 -15.130 -3.478 1.00 0.00 O ATOM 0 H GLY A 91 6.321 -11.785 -3.338 1.00 0.00 H new ATOM 0 HA2 GLY A 91 7.715 -13.835 -4.331 1.00 0.00 H new ATOM 0 HA3 GLY A 91 8.273 -13.782 -2.671 1.00 0.00 H new ATOM 1393 N ALA A 92 5.551 -13.586 -1.905 1.00 0.00 N ATOM 1394 CA ALA A 92 4.335 -14.194 -1.389 1.00 0.00 C ATOM 1395 C ALA A 92 3.116 -13.362 -1.776 1.00 0.00 C ATOM 1396 O ALA A 92 2.323 -12.935 -0.942 1.00 0.00 O ATOM 1397 CB ALA A 92 4.419 -14.461 0.117 1.00 0.00 C ATOM 0 H ALA A 92 5.830 -12.717 -1.450 1.00 0.00 H new ATOM 0 HA ALA A 92 4.221 -15.173 -1.854 1.00 0.00 H new ATOM 0 HB1 ALA A 92 3.489 -14.915 0.458 1.00 0.00 H new ATOM 0 HB2 ALA A 92 5.249 -15.137 0.321 1.00 0.00 H new ATOM 0 HB3 ALA A 92 4.579 -13.521 0.645 1.00 0.00 H new ATOM 1403 N LYS A 93 2.960 -13.192 -3.073 1.00 0.00 N ATOM 1404 CA LYS A 93 1.903 -12.358 -3.684 1.00 0.00 C ATOM 1405 C LYS A 93 0.516 -13.080 -3.637 1.00 0.00 C ATOM 1406 O LYS A 93 -0.468 -12.621 -4.219 1.00 0.00 O ATOM 1407 CB LYS A 93 2.283 -12.041 -5.171 1.00 0.00 C ATOM 1408 CG LYS A 93 2.034 -13.175 -6.210 1.00 0.00 C ATOM 1409 CD LYS A 93 2.861 -14.451 -5.999 1.00 0.00 C ATOM 1410 CE LYS A 93 4.337 -14.268 -6.340 1.00 0.00 C ATOM 1411 NZ LYS A 93 5.103 -15.528 -6.162 1.00 0.00 N1+ ATOM 0 H LYS A 93 3.570 -13.633 -3.761 1.00 0.00 H new ATOM 0 HA LYS A 93 1.823 -11.432 -3.115 1.00 0.00 H new ATOM 0 HB2 LYS A 93 1.722 -11.161 -5.486 1.00 0.00 H new ATOM 0 HB3 LYS A 93 3.339 -11.775 -5.204 1.00 0.00 H new ATOM 0 HG2 LYS A 93 0.977 -13.439 -6.188 1.00 0.00 H new ATOM 0 HG3 LYS A 93 2.245 -12.786 -7.206 1.00 0.00 H new ATOM 0 HD2 LYS A 93 2.770 -14.768 -4.960 1.00 0.00 H new ATOM 0 HD3 LYS A 93 2.448 -15.251 -6.614 1.00 0.00 H new ATOM 0 HE2 LYS A 93 4.433 -13.927 -7.371 1.00 0.00 H new ATOM 0 HE3 LYS A 93 4.763 -13.491 -5.706 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 5.899 -15.548 -6.831 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 5.467 -15.579 -5.189 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 4.480 -16.341 -6.341 1.00 0.00 H new ATOM 1425 N GLY A 94 0.464 -14.197 -2.938 1.00 0.00 N ATOM 1426 CA GLY A 94 -0.740 -14.993 -2.838 1.00 0.00 C ATOM 1427 C GLY A 94 -1.125 -15.180 -1.394 1.00 0.00 C ATOM 1428 O GLY A 94 -2.161 -15.784 -1.069 1.00 0.00 O ATOM 0 H GLY A 94 1.258 -14.577 -2.423 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -1.552 -14.506 -3.378 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -0.582 -15.964 -3.308 1.00 0.00 H new ATOM 1432 N GLN A 95 -0.291 -14.630 -0.514 1.00 0.00 N ATOM 1433 CA GLN A 95 -0.525 -14.635 0.929 1.00 0.00 C ATOM 1434 C GLN A 95 -0.285 -13.228 1.530 1.00 0.00 C ATOM 1435 O GLN A 95 0.365 -13.103 2.578 1.00 0.00 O ATOM 1436 CB GLN A 95 0.408 -15.625 1.585 1.00 0.00 C ATOM 1437 CG GLN A 95 0.251 -16.987 1.020 1.00 0.00 C ATOM 1438 CD GLN A 95 1.200 -17.987 1.620 1.00 0.00 C ATOM 1439 OE1 GLN A 95 2.320 -18.176 1.133 1.00 0.00 O ATOM 1440 NE2 GLN A 95 0.777 -18.636 2.672 1.00 0.00 N ATOM 0 H GLN A 95 0.575 -14.164 -0.785 1.00 0.00 H new ATOM 0 HA GLN A 95 -1.561 -14.920 1.112 1.00 0.00 H new ATOM 0 HB2 GLN A 95 1.438 -15.294 1.455 1.00 0.00 H new ATOM 0 HB3 GLN A 95 0.214 -15.652 2.657 1.00 0.00 H new ATOM 0 HG2 GLN A 95 -0.773 -17.325 1.181 1.00 0.00 H new ATOM 0 HG3 GLN A 95 0.408 -16.947 -0.058 1.00 0.00 H new ATOM 0 HE21 GLN A 95 -0.155 -18.452 3.044 1.00 0.00 H new ATOM 0 HE22 GLN A 95 1.378 -19.327 3.121 1.00 0.00 H new ATOM 1449 N PRO A 96 -0.834 -12.153 0.900 1.00 0.00 N ATOM 1450 CA PRO A 96 -0.676 -10.774 1.366 1.00 0.00 C ATOM 1451 C PRO A 96 -1.082 -10.583 2.791 1.00 0.00 C ATOM 1452 O PRO A 96 -1.928 -11.324 3.315 1.00 0.00 O ATOM 1453 CB PRO A 96 -1.656 -10.026 0.510 1.00 0.00 C ATOM 1454 CG PRO A 96 -1.658 -10.792 -0.738 1.00 0.00 C ATOM 1455 CD PRO A 96 -1.644 -12.182 -0.315 1.00 0.00 C ATOM 0 HA PRO A 96 0.365 -10.456 1.300 1.00 0.00 H new ATOM 0 HB2 PRO A 96 -2.646 -9.994 0.965 1.00 0.00 H new ATOM 0 HB3 PRO A 96 -1.345 -8.994 0.349 1.00 0.00 H new ATOM 0 HG2 PRO A 96 -2.540 -10.569 -1.338 1.00 0.00 H new ATOM 0 HG3 PRO A 96 -0.788 -10.555 -1.350 1.00 0.00 H new ATOM 0 HD2 PRO A 96 -2.650 -12.554 -0.120 1.00 0.00 H new ATOM 0 HD3 PRO A 96 -1.207 -12.830 -1.075 1.00 0.00 H new ATOM 1463 N VAL A 97 -0.555 -9.575 3.415 1.00 0.00 N ATOM 1464 CA VAL A 97 -0.888 -9.367 4.755 1.00 0.00 C ATOM 1465 C VAL A 97 -2.006 -8.376 4.777 1.00 0.00 C ATOM 1466 O VAL A 97 -1.795 -7.181 4.554 1.00 0.00 O ATOM 1467 CB VAL A 97 0.309 -8.900 5.585 1.00 0.00 C ATOM 1468 CG1 VAL A 97 -0.027 -8.936 7.067 1.00 0.00 C ATOM 1469 CG2 VAL A 97 1.523 -9.766 5.278 1.00 0.00 C ATOM 0 H VAL A 97 0.096 -8.903 3.010 1.00 0.00 H new ATOM 0 HA VAL A 97 -1.200 -10.305 5.215 1.00 0.00 H new ATOM 0 HB VAL A 97 0.546 -7.869 5.320 1.00 0.00 H new ATOM 0 HG11 VAL A 97 0.835 -8.601 7.644 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -0.874 -8.278 7.264 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -0.284 -9.955 7.357 1.00 0.00 H new ATOM 0 HG21 VAL A 97 2.371 -9.427 5.873 1.00 0.00 H new ATOM 0 HG22 VAL A 97 1.300 -10.805 5.522 1.00 0.00 H new ATOM 0 HG23 VAL A 97 1.768 -9.687 4.219 1.00 0.00 H new ATOM 1479 N THR A 98 -3.192 -8.923 4.845 1.00 0.00 N ATOM 1480 CA THR A 98 -4.406 -8.170 4.914 1.00 0.00 C ATOM 1481 C THR A 98 -4.551 -7.516 6.288 1.00 0.00 C ATOM 1482 O THR A 98 -4.401 -8.153 7.338 1.00 0.00 O ATOM 1483 CB THR A 98 -5.640 -9.043 4.530 1.00 0.00 C ATOM 1484 OG1 THR A 98 -6.865 -8.282 4.568 1.00 0.00 O ATOM 1485 CG2 THR A 98 -5.769 -10.278 5.414 1.00 0.00 C ATOM 0 H THR A 98 -3.338 -9.932 4.854 1.00 0.00 H new ATOM 0 HA THR A 98 -4.361 -7.368 4.178 1.00 0.00 H new ATOM 0 HB THR A 98 -5.469 -9.376 3.506 1.00 0.00 H new ATOM 0 HG1 THR A 98 -7.617 -8.860 4.320 1.00 0.00 H new ATOM 0 HG21 THR A 98 -6.642 -10.854 5.109 1.00 0.00 H new ATOM 0 HG22 THR A 98 -4.875 -10.893 5.313 1.00 0.00 H new ATOM 0 HG23 THR A 98 -5.882 -9.971 6.454 1.00 0.00 H new ATOM 1493 N TYR A 99 -4.791 -6.260 6.249 1.00 0.00 N ATOM 1494 CA TYR A 99 -4.849 -5.398 7.381 1.00 0.00 C ATOM 1495 C TYR A 99 -5.972 -4.389 7.194 1.00 0.00 C ATOM 1496 O TYR A 99 -6.534 -4.306 6.114 1.00 0.00 O ATOM 1497 CB TYR A 99 -3.517 -4.680 7.423 1.00 0.00 C ATOM 1498 CG TYR A 99 -2.682 -5.009 8.619 1.00 0.00 C ATOM 1499 CD1 TYR A 99 -1.929 -6.177 8.652 1.00 0.00 C ATOM 1500 CD2 TYR A 99 -2.639 -4.172 9.717 1.00 0.00 C ATOM 1501 CE1 TYR A 99 -1.159 -6.495 9.754 1.00 0.00 C ATOM 1502 CE2 TYR A 99 -1.872 -4.480 10.819 1.00 0.00 C ATOM 1503 CZ TYR A 99 -1.135 -5.640 10.834 1.00 0.00 C ATOM 1504 OH TYR A 99 -0.374 -5.946 11.938 1.00 0.00 O ATOM 0 H TYR A 99 -4.964 -5.769 5.372 1.00 0.00 H new ATOM 0 HA TYR A 99 -5.038 -5.949 8.302 1.00 0.00 H new ATOM 0 HB2 TYR A 99 -2.955 -4.927 6.522 1.00 0.00 H new ATOM 0 HB3 TYR A 99 -3.695 -3.605 7.403 1.00 0.00 H new ATOM 0 HD1 TYR A 99 -1.946 -6.845 7.804 1.00 0.00 H new ATOM 0 HD2 TYR A 99 -3.217 -3.260 9.711 1.00 0.00 H new ATOM 0 HE1 TYR A 99 -0.580 -7.407 9.769 1.00 0.00 H new ATOM 0 HE2 TYR A 99 -1.850 -3.813 11.668 1.00 0.00 H new ATOM 0 HH TYR A 99 -0.469 -5.237 12.608 1.00 0.00 H new ATOM 1514 N SER A 100 -6.294 -3.630 8.217 1.00 0.00 N ATOM 1515 CA SER A 100 -7.308 -2.603 8.085 1.00 0.00 C ATOM 1516 C SER A 100 -6.659 -1.215 8.100 1.00 0.00 C ATOM 1517 O SER A 100 -7.165 -0.267 7.480 1.00 0.00 O ATOM 1518 CB SER A 100 -8.373 -2.726 9.190 1.00 0.00 C ATOM 1519 OG SER A 100 -9.418 -1.768 9.018 1.00 0.00 O ATOM 0 H SER A 100 -5.874 -3.701 9.144 1.00 0.00 H new ATOM 0 HA SER A 100 -7.812 -2.740 7.128 1.00 0.00 H new ATOM 0 HB2 SER A 100 -8.794 -3.731 9.181 1.00 0.00 H new ATOM 0 HB3 SER A 100 -7.906 -2.585 10.165 1.00 0.00 H new ATOM 0 HG SER A 100 -10.079 -1.872 9.734 1.00 0.00 H new ATOM 1525 N GLY A 101 -5.554 -1.081 8.815 1.00 0.00 N ATOM 1526 CA GLY A 101 -4.865 0.178 8.845 1.00 0.00 C ATOM 1527 C GLY A 101 -4.187 0.434 10.162 1.00 0.00 C ATOM 1528 O GLY A 101 -4.843 0.649 11.162 1.00 0.00 O ATOM 0 H GLY A 101 -5.128 -1.822 9.371 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -4.122 0.201 8.048 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -5.574 0.981 8.643 1.00 0.00 H new ATOM 1532 N SER A 102 -2.871 0.410 10.153 1.00 0.00 N ATOM 1533 CA SER A 102 -2.048 0.642 11.335 1.00 0.00 C ATOM 1534 C SER A 102 -2.245 2.058 11.900 1.00 0.00 C ATOM 1535 O SER A 102 -2.031 2.296 13.078 1.00 0.00 O ATOM 1536 CB SER A 102 -0.612 0.506 10.902 1.00 0.00 C ATOM 1537 OG SER A 102 -0.458 -0.630 10.059 1.00 0.00 O ATOM 0 H SER A 102 -2.327 0.226 9.310 1.00 0.00 H new ATOM 0 HA SER A 102 -2.326 -0.072 12.111 1.00 0.00 H new ATOM 0 HB2 SER A 102 -0.297 1.406 10.373 1.00 0.00 H new ATOM 0 HB3 SER A 102 0.031 0.409 11.776 1.00 0.00 H new ATOM 0 HG SER A 102 0.152 -1.270 10.481 1.00 0.00 H new ATOM 1543 N ARG A 103 -2.634 2.987 11.015 1.00 0.00 N ATOM 1544 CA ARG A 103 -2.790 4.420 11.337 1.00 0.00 C ATOM 1545 C ARG A 103 -1.459 5.078 11.715 1.00 0.00 C ATOM 1546 O ARG A 103 -1.422 6.180 12.230 1.00 0.00 O ATOM 1547 CB ARG A 103 -3.879 4.679 12.404 1.00 0.00 C ATOM 1548 CG ARG A 103 -5.283 4.332 11.940 1.00 0.00 C ATOM 1549 CD ARG A 103 -6.339 4.706 12.964 1.00 0.00 C ATOM 1550 NE ARG A 103 -6.286 3.886 14.176 1.00 0.00 N ATOM 1551 CZ ARG A 103 -6.654 4.303 15.397 1.00 0.00 C ATOM 1552 NH1 ARG A 103 -6.937 5.593 15.616 1.00 0.00 N1+ ATOM 1553 NH2 ARG A 103 -6.709 3.437 16.395 1.00 0.00 N ATOM 0 H ARG A 103 -2.853 2.766 10.044 1.00 0.00 H new ATOM 0 HA ARG A 103 -3.135 4.897 10.419 1.00 0.00 H new ATOM 0 HB2 ARG A 103 -3.647 4.098 13.296 1.00 0.00 H new ATOM 0 HB3 ARG A 103 -3.850 5.730 12.692 1.00 0.00 H new ATOM 0 HG2 ARG A 103 -5.491 4.848 11.003 1.00 0.00 H new ATOM 0 HG3 ARG A 103 -5.341 3.263 11.735 1.00 0.00 H new ATOM 0 HD2 ARG A 103 -6.216 5.754 13.237 1.00 0.00 H new ATOM 0 HD3 ARG A 103 -7.325 4.609 12.511 1.00 0.00 H new ATOM 0 HE ARG A 103 -5.945 2.929 14.086 1.00 0.00 H new ATOM 0 HH11 ARG A 103 -6.874 6.266 14.852 1.00 0.00 H new ATOM 0 HH12 ARG A 103 -7.216 5.903 16.547 1.00 0.00 H new ATOM 0 HH21 ARG A 103 -6.472 2.458 16.234 1.00 0.00 H new ATOM 0 HH22 ARG A 103 -6.988 3.748 17.325 1.00 0.00 H new ATOM 1567 N THR A 104 -0.377 4.430 11.362 1.00 0.00 N ATOM 1568 CA THR A 104 0.934 4.916 11.689 1.00 0.00 C ATOM 1569 C THR A 104 1.956 4.434 10.646 1.00 0.00 C ATOM 1570 O THR A 104 1.735 3.414 9.970 1.00 0.00 O ATOM 1571 CB THR A 104 1.337 4.467 13.131 1.00 0.00 C ATOM 1572 OG1 THR A 104 2.591 5.037 13.520 1.00 0.00 O ATOM 1573 CG2 THR A 104 1.421 2.956 13.248 1.00 0.00 C ATOM 0 H THR A 104 -0.383 3.553 10.841 1.00 0.00 H new ATOM 0 HA THR A 104 0.923 6.006 11.670 1.00 0.00 H new ATOM 0 HB THR A 104 0.554 4.827 13.798 1.00 0.00 H new ATOM 0 HG1 THR A 104 2.818 4.741 14.426 1.00 0.00 H new ATOM 0 HG21 THR A 104 1.704 2.685 14.265 1.00 0.00 H new ATOM 0 HG22 THR A 104 0.451 2.518 13.012 1.00 0.00 H new ATOM 0 HG23 THR A 104 2.169 2.578 12.551 1.00 0.00 H new ATOM 1581 N VAL A 105 3.022 5.201 10.493 1.00 0.00 N ATOM 1582 CA VAL A 105 4.126 4.920 9.571 1.00 0.00 C ATOM 1583 C VAL A 105 5.025 3.842 10.159 1.00 0.00 C ATOM 1584 O VAL A 105 5.480 2.946 9.462 1.00 0.00 O ATOM 1585 CB VAL A 105 5.022 6.189 9.367 1.00 0.00 C ATOM 1586 CG1 VAL A 105 6.156 5.901 8.413 1.00 0.00 C ATOM 1587 CG2 VAL A 105 4.230 7.380 8.881 1.00 0.00 C ATOM 0 H VAL A 105 3.154 6.064 11.020 1.00 0.00 H new ATOM 0 HA VAL A 105 3.688 4.606 8.624 1.00 0.00 H new ATOM 0 HB VAL A 105 5.432 6.441 10.345 1.00 0.00 H new ATOM 0 HG11 VAL A 105 6.763 6.798 8.288 1.00 0.00 H new ATOM 0 HG12 VAL A 105 6.774 5.097 8.814 1.00 0.00 H new ATOM 0 HG13 VAL A 105 5.751 5.600 7.447 1.00 0.00 H new ATOM 0 HG21 VAL A 105 4.896 8.233 8.755 1.00 0.00 H new ATOM 0 HG22 VAL A 105 3.763 7.141 7.926 1.00 0.00 H new ATOM 0 HG23 VAL A 105 3.459 7.626 9.611 1.00 0.00 H new ATOM 1597 N GLU A 106 5.221 3.938 11.454 1.00 0.00 N ATOM 1598 CA GLU A 106 6.164 3.110 12.229 1.00 0.00 C ATOM 1599 C GLU A 106 5.879 1.650 12.036 1.00 0.00 C ATOM 1600 O GLU A 106 6.762 0.826 11.708 1.00 0.00 O ATOM 1601 CB GLU A 106 5.999 3.445 13.700 1.00 0.00 C ATOM 1602 CG GLU A 106 5.930 4.917 13.937 1.00 0.00 C ATOM 1603 CD GLU A 106 6.052 5.299 15.380 1.00 0.00 C ATOM 1604 OE1 GLU A 106 7.186 5.425 15.874 1.00 0.00 O ATOM 1605 OE2 GLU A 106 5.015 5.541 16.030 1.00 0.00 O1- ATOM 0 H GLU A 106 4.719 4.613 12.032 1.00 0.00 H new ATOM 0 HA GLU A 106 7.178 3.317 11.888 1.00 0.00 H new ATOM 0 HB2 GLU A 106 5.092 2.974 14.079 1.00 0.00 H new ATOM 0 HB3 GLU A 106 6.834 3.027 14.262 1.00 0.00 H new ATOM 0 HG2 GLU A 106 6.724 5.405 13.372 1.00 0.00 H new ATOM 0 HG3 GLU A 106 4.984 5.295 13.549 1.00 0.00 H new ATOM 1612 N ASP A 107 4.631 1.358 12.167 1.00 0.00 N ATOM 1613 CA ASP A 107 4.154 -0.016 12.070 1.00 0.00 C ATOM 1614 C ASP A 107 4.250 -0.487 10.649 1.00 0.00 C ATOM 1615 O ASP A 107 4.532 -1.638 10.398 1.00 0.00 O ATOM 1616 CB ASP A 107 2.725 -0.167 12.600 1.00 0.00 C ATOM 1617 CG ASP A 107 2.181 -1.585 12.478 1.00 0.00 C ATOM 1618 OD1 ASP A 107 2.628 -2.478 13.228 1.00 0.00 O ATOM 1619 OD2 ASP A 107 1.269 -1.817 11.670 1.00 0.00 O1- ATOM 0 H ASP A 107 3.900 2.047 12.344 1.00 0.00 H new ATOM 0 HA ASP A 107 4.791 -0.639 12.698 1.00 0.00 H new ATOM 0 HB2 ASP A 107 2.700 0.135 13.647 1.00 0.00 H new ATOM 0 HB3 ASP A 107 2.070 0.514 12.056 1.00 0.00 H new ATOM 1624 N LEU A 108 4.106 0.442 9.725 1.00 0.00 N ATOM 1625 CA LEU A 108 4.184 0.137 8.312 1.00 0.00 C ATOM 1626 C LEU A 108 5.572 -0.201 7.874 1.00 0.00 C ATOM 1627 O LEU A 108 5.758 -1.098 7.078 1.00 0.00 O ATOM 1628 CB LEU A 108 3.630 1.240 7.471 1.00 0.00 C ATOM 1629 CG LEU A 108 2.113 1.296 7.365 1.00 0.00 C ATOM 1630 CD1 LEU A 108 1.692 2.434 6.466 1.00 0.00 C ATOM 1631 CD2 LEU A 108 1.566 -0.025 6.835 1.00 0.00 C ATOM 0 H LEU A 108 3.932 1.426 9.932 1.00 0.00 H new ATOM 0 HA LEU A 108 3.566 -0.749 8.165 1.00 0.00 H new ATOM 0 HB2 LEU A 108 3.982 2.190 7.873 1.00 0.00 H new ATOM 0 HB3 LEU A 108 4.042 1.147 6.466 1.00 0.00 H new ATOM 0 HG LEU A 108 1.703 1.466 8.361 1.00 0.00 H new ATOM 0 HD11 LEU A 108 0.604 2.462 6.399 1.00 0.00 H new ATOM 0 HD12 LEU A 108 2.055 3.376 6.877 1.00 0.00 H new ATOM 0 HD13 LEU A 108 2.113 2.287 5.471 1.00 0.00 H new ATOM 0 HD21 LEU A 108 0.480 0.033 6.766 1.00 0.00 H new ATOM 0 HD22 LEU A 108 1.983 -0.221 5.847 1.00 0.00 H new ATOM 0 HD23 LEU A 108 1.844 -0.832 7.513 1.00 0.00 H new ATOM 1643 N ILE A 109 6.532 0.499 8.381 1.00 0.00 N ATOM 1644 CA ILE A 109 7.918 0.194 8.116 1.00 0.00 C ATOM 1645 C ILE A 109 8.197 -1.257 8.553 1.00 0.00 C ATOM 1646 O ILE A 109 8.577 -2.115 7.735 1.00 0.00 O ATOM 1647 CB ILE A 109 8.776 1.167 8.914 1.00 0.00 C ATOM 1648 CG1 ILE A 109 8.544 2.588 8.405 1.00 0.00 C ATOM 1649 CG2 ILE A 109 10.263 0.796 8.860 1.00 0.00 C ATOM 1650 CD1 ILE A 109 9.018 3.651 9.351 1.00 0.00 C ATOM 0 H ILE A 109 6.388 1.302 8.993 1.00 0.00 H new ATOM 0 HA ILE A 109 8.149 0.292 7.055 1.00 0.00 H new ATOM 0 HB ILE A 109 8.478 1.109 9.961 1.00 0.00 H new ATOM 0 HG12 ILE A 109 9.054 2.710 7.450 1.00 0.00 H new ATOM 0 HG13 ILE A 109 7.479 2.728 8.218 1.00 0.00 H new ATOM 0 HG21 ILE A 109 10.839 1.516 9.442 1.00 0.00 H new ATOM 0 HG22 ILE A 109 10.404 -0.202 9.275 1.00 0.00 H new ATOM 0 HG23 ILE A 109 10.604 0.811 7.825 1.00 0.00 H new ATOM 0 HD11 ILE A 109 8.820 4.634 8.923 1.00 0.00 H new ATOM 0 HD12 ILE A 109 8.490 3.556 10.300 1.00 0.00 H new ATOM 0 HD13 ILE A 109 10.089 3.537 9.519 1.00 0.00 H new ATOM 1662 N LYS A 110 7.840 -1.559 9.802 1.00 0.00 N ATOM 1663 CA LYS A 110 8.073 -2.855 10.386 1.00 0.00 C ATOM 1664 C LYS A 110 7.161 -3.894 9.737 1.00 0.00 C ATOM 1665 O LYS A 110 7.417 -5.098 9.787 1.00 0.00 O ATOM 1666 CB LYS A 110 7.833 -2.765 11.884 1.00 0.00 C ATOM 1667 CG LYS A 110 8.370 -3.929 12.677 1.00 0.00 C ATOM 1668 CD LYS A 110 9.865 -4.103 12.446 1.00 0.00 C ATOM 1669 CE LYS A 110 10.438 -5.053 13.444 1.00 0.00 C ATOM 1670 NZ LYS A 110 11.883 -5.275 13.256 1.00 0.00 N1+ ATOM 0 H LYS A 110 7.380 -0.900 10.429 1.00 0.00 H new ATOM 0 HA LYS A 110 9.102 -3.168 10.212 1.00 0.00 H new ATOM 0 HB2 LYS A 110 8.288 -1.847 12.257 1.00 0.00 H new ATOM 0 HB3 LYS A 110 6.761 -2.684 12.063 1.00 0.00 H new ATOM 0 HG2 LYS A 110 8.178 -3.770 13.738 1.00 0.00 H new ATOM 0 HG3 LYS A 110 7.846 -4.841 12.392 1.00 0.00 H new ATOM 0 HD2 LYS A 110 10.043 -4.475 11.437 1.00 0.00 H new ATOM 0 HD3 LYS A 110 10.366 -3.138 12.523 1.00 0.00 H new ATOM 0 HE2 LYS A 110 10.262 -4.668 14.448 1.00 0.00 H new ATOM 0 HE3 LYS A 110 9.916 -6.007 13.372 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 12.228 -5.942 13.975 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 12.053 -5.669 12.309 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 12.388 -4.371 13.351 1.00 0.00 H new ATOM 1684 N PHE A 111 6.159 -3.406 9.054 1.00 0.00 N ATOM 1685 CA PHE A 111 5.198 -4.219 8.397 1.00 0.00 C ATOM 1686 C PHE A 111 5.881 -4.826 7.239 1.00 0.00 C ATOM 1687 O PHE A 111 6.139 -5.989 7.229 1.00 0.00 O ATOM 1688 CB PHE A 111 4.112 -3.337 7.920 1.00 0.00 C ATOM 1689 CG PHE A 111 2.822 -3.947 7.504 1.00 0.00 C ATOM 1690 CD1 PHE A 111 2.768 -4.919 6.536 1.00 0.00 C ATOM 1691 CD2 PHE A 111 1.648 -3.490 8.053 1.00 0.00 C ATOM 1692 CE1 PHE A 111 1.571 -5.431 6.130 1.00 0.00 C ATOM 1693 CE2 PHE A 111 0.447 -4.000 7.651 1.00 0.00 C ATOM 1694 CZ PHE A 111 0.408 -4.975 6.681 1.00 0.00 C ATOM 0 H PHE A 111 5.994 -2.406 8.943 1.00 0.00 H new ATOM 0 HA PHE A 111 4.787 -4.988 9.051 1.00 0.00 H new ATOM 0 HB2 PHE A 111 3.897 -2.620 8.713 1.00 0.00 H new ATOM 0 HB3 PHE A 111 4.497 -2.769 7.073 1.00 0.00 H new ATOM 0 HD1 PHE A 111 3.683 -5.282 6.091 1.00 0.00 H new ATOM 0 HD2 PHE A 111 1.676 -2.720 8.810 1.00 0.00 H new ATOM 0 HE1 PHE A 111 1.543 -6.199 5.371 1.00 0.00 H new ATOM 0 HE2 PHE A 111 -0.470 -3.639 8.093 1.00 0.00 H new ATOM 0 HZ PHE A 111 -0.540 -5.378 6.356 1.00 0.00 H new ATOM 1704 N ILE A 112 6.318 -3.986 6.330 1.00 0.00 N ATOM 1705 CA ILE A 112 7.005 -4.417 5.111 1.00 0.00 C ATOM 1706 C ILE A 112 8.342 -5.048 5.518 1.00 0.00 C ATOM 1707 O ILE A 112 8.989 -5.752 4.776 1.00 0.00 O ATOM 1708 CB ILE A 112 7.337 -3.199 4.234 1.00 0.00 C ATOM 1709 CG1 ILE A 112 6.155 -2.269 4.139 1.00 0.00 C ATOM 1710 CG2 ILE A 112 7.688 -3.667 2.845 1.00 0.00 C ATOM 1711 CD1 ILE A 112 6.553 -0.819 4.198 1.00 0.00 C ATOM 0 H ILE A 112 6.211 -2.974 6.406 1.00 0.00 H new ATOM 0 HA ILE A 112 6.367 -5.113 4.567 1.00 0.00 H new ATOM 0 HB ILE A 112 8.175 -2.669 4.686 1.00 0.00 H new ATOM 0 HG12 ILE A 112 5.623 -2.458 3.207 1.00 0.00 H new ATOM 0 HG13 ILE A 112 5.461 -2.485 4.952 1.00 0.00 H new ATOM 0 HG21 ILE A 112 7.924 -2.806 2.220 1.00 0.00 H new ATOM 0 HG22 ILE A 112 8.552 -4.329 2.892 1.00 0.00 H new ATOM 0 HG23 ILE A 112 6.842 -4.205 2.417 1.00 0.00 H new ATOM 0 HD11 ILE A 112 5.663 -0.194 4.125 1.00 0.00 H new ATOM 0 HD12 ILE A 112 7.061 -0.619 5.142 1.00 0.00 H new ATOM 0 HD13 ILE A 112 7.224 -0.592 3.370 1.00 0.00 H new ATOM 1723 N ALA A 113 8.695 -4.826 6.722 1.00 0.00 N ATOM 1724 CA ALA A 113 9.971 -5.284 7.215 1.00 0.00 C ATOM 1725 C ALA A 113 9.918 -6.719 7.637 1.00 0.00 C ATOM 1726 O ALA A 113 10.876 -7.443 7.489 1.00 0.00 O ATOM 1727 CB ALA A 113 10.455 -4.449 8.349 1.00 0.00 C ATOM 0 H ALA A 113 8.126 -4.327 7.406 1.00 0.00 H new ATOM 0 HA ALA A 113 10.673 -5.189 6.387 1.00 0.00 H new ATOM 0 HB1 ALA A 113 11.419 -4.825 8.693 1.00 0.00 H new ATOM 0 HB2 ALA A 113 10.566 -3.416 8.019 1.00 0.00 H new ATOM 0 HB3 ALA A 113 9.736 -4.494 9.167 1.00 0.00 H new ATOM 1733 N GLU A 114 8.800 -7.137 8.146 1.00 0.00 N ATOM 1734 CA GLU A 114 8.687 -8.485 8.645 1.00 0.00 C ATOM 1735 C GLU A 114 7.819 -9.279 7.732 1.00 0.00 C ATOM 1736 O GLU A 114 8.044 -10.465 7.487 1.00 0.00 O ATOM 1737 CB GLU A 114 8.084 -8.503 10.036 1.00 0.00 C ATOM 1738 CG GLU A 114 8.855 -7.746 11.073 1.00 0.00 C ATOM 1739 CD GLU A 114 8.394 -8.106 12.471 1.00 0.00 C ATOM 1740 OE1 GLU A 114 7.265 -7.742 12.848 1.00 0.00 O1- ATOM 1741 OE2 GLU A 114 9.130 -8.799 13.202 1.00 0.00 O ATOM 0 H GLU A 114 7.954 -6.573 8.229 1.00 0.00 H new ATOM 0 HA GLU A 114 9.687 -8.917 8.691 1.00 0.00 H new ATOM 0 HB2 GLU A 114 7.076 -8.092 9.983 1.00 0.00 H new ATOM 0 HB3 GLU A 114 7.989 -9.539 10.361 1.00 0.00 H new ATOM 0 HG2 GLU A 114 9.918 -7.964 10.971 1.00 0.00 H new ATOM 0 HG3 GLU A 114 8.732 -6.675 10.911 1.00 0.00 H new ATOM 1748 N ASN A 115 6.852 -8.597 7.216 1.00 0.00 N ATOM 1749 CA ASN A 115 5.867 -9.135 6.358 1.00 0.00 C ATOM 1750 C ASN A 115 6.391 -9.099 4.966 1.00 0.00 C ATOM 1751 O ASN A 115 6.074 -9.958 4.143 1.00 0.00 O ATOM 1752 CB ASN A 115 4.631 -8.261 6.466 1.00 0.00 C ATOM 1753 CG ASN A 115 3.894 -8.353 7.786 1.00 0.00 C ATOM 1754 OD1 ASN A 115 3.059 -9.213 8.001 1.00 0.00 O ATOM 1755 ND2 ASN A 115 4.188 -7.446 8.667 1.00 0.00 N ATOM 0 H ASN A 115 6.727 -7.601 7.394 1.00 0.00 H new ATOM 0 HA ASN A 115 5.621 -10.162 6.627 1.00 0.00 H new ATOM 0 HB2 ASN A 115 4.923 -7.224 6.302 1.00 0.00 H new ATOM 0 HB3 ASN A 115 3.943 -8.530 5.664 1.00 0.00 H new ATOM 0 HD21 ASN A 115 3.715 -7.440 9.570 1.00 0.00 H new ATOM 0 HD22 ASN A 115 4.893 -6.739 8.456 1.00 0.00 H new ATOM 1762 N GLY A 116 7.238 -8.114 4.709 1.00 0.00 N ATOM 1763 CA GLY A 116 7.809 -7.972 3.432 1.00 0.00 C ATOM 1764 C GLY A 116 8.913 -8.945 3.235 1.00 0.00 C ATOM 1765 O GLY A 116 9.404 -9.522 4.210 1.00 0.00 O ATOM 0 H GLY A 116 7.529 -7.412 5.389 1.00 0.00 H new ATOM 0 HA2 GLY A 116 7.045 -8.123 2.669 1.00 0.00 H new ATOM 0 HA3 GLY A 116 8.187 -6.957 3.309 1.00 0.00 H new ATOM 1769 N LYS A 117 9.320 -9.156 2.022 1.00 0.00 N ATOM 1770 CA LYS A 117 10.404 -10.071 1.787 1.00 0.00 C ATOM 1771 C LYS A 117 11.641 -9.329 1.619 1.00 0.00 C ATOM 1772 O LYS A 117 12.726 -9.842 1.864 1.00 0.00 O ATOM 1773 CB LYS A 117 10.176 -10.958 0.612 1.00 0.00 C ATOM 1774 CG LYS A 117 9.130 -12.019 0.883 1.00 0.00 C ATOM 1775 CD LYS A 117 8.874 -12.973 -0.280 1.00 0.00 C ATOM 1776 CE LYS A 117 10.084 -13.855 -0.687 1.00 0.00 C ATOM 1777 NZ LYS A 117 11.137 -13.130 -1.447 1.00 0.00 N1+ ATOM 0 H LYS A 117 8.929 -8.717 1.188 1.00 0.00 H new ATOM 0 HA LYS A 117 10.469 -10.721 2.660 1.00 0.00 H new ATOM 0 HB2 LYS A 117 9.865 -10.354 -0.240 1.00 0.00 H new ATOM 0 HB3 LYS A 117 11.114 -11.439 0.336 1.00 0.00 H new ATOM 0 HG2 LYS A 117 9.439 -12.601 1.751 1.00 0.00 H new ATOM 0 HG3 LYS A 117 8.193 -11.528 1.145 1.00 0.00 H new ATOM 0 HD2 LYS A 117 8.041 -13.625 -0.018 1.00 0.00 H new ATOM 0 HD3 LYS A 117 8.562 -12.390 -1.146 1.00 0.00 H new ATOM 0 HE2 LYS A 117 10.529 -14.280 0.213 1.00 0.00 H new ATOM 0 HE3 LYS A 117 9.725 -14.689 -1.290 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 11.580 -13.777 -2.130 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 10.710 -12.329 -1.955 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 11.859 -12.776 -0.788 1.00 0.00 H new ATOM 1791 N TYR A 118 11.498 -8.100 1.241 1.00 0.00 N ATOM 1792 CA TYR A 118 12.603 -7.283 1.075 1.00 0.00 C ATOM 1793 C TYR A 118 13.077 -6.757 2.408 1.00 0.00 C ATOM 1794 O TYR A 118 14.174 -6.213 2.500 1.00 0.00 O ATOM 1795 CB TYR A 118 12.320 -6.172 0.104 1.00 0.00 C ATOM 1796 CG TYR A 118 12.623 -6.529 -1.331 1.00 0.00 C ATOM 1797 CD1 TYR A 118 13.905 -6.371 -1.838 1.00 0.00 C ATOM 1798 CD2 TYR A 118 11.647 -7.022 -2.175 1.00 0.00 C ATOM 1799 CE1 TYR A 118 14.201 -6.693 -3.145 1.00 0.00 C ATOM 1800 CE2 TYR A 118 11.939 -7.346 -3.484 1.00 0.00 C ATOM 1801 CZ TYR A 118 13.210 -7.181 -3.964 1.00 0.00 C ATOM 1802 OH TYR A 118 13.499 -7.521 -5.281 1.00 0.00 O ATOM 0 H TYR A 118 10.601 -7.656 1.044 1.00 0.00 H new ATOM 0 HA TYR A 118 13.409 -7.879 0.647 1.00 0.00 H new ATOM 0 HB2 TYR A 118 11.270 -5.889 0.185 1.00 0.00 H new ATOM 0 HB3 TYR A 118 12.908 -5.298 0.384 1.00 0.00 H new ATOM 0 HD1 TYR A 118 14.685 -5.989 -1.197 1.00 0.00 H new ATOM 0 HD2 TYR A 118 10.641 -7.156 -1.805 1.00 0.00 H new ATOM 0 HE1 TYR A 118 15.204 -6.563 -3.523 1.00 0.00 H new ATOM 0 HE2 TYR A 118 11.164 -7.730 -4.130 1.00 0.00 H new ATOM 0 HH TYR A 118 12.748 -7.266 -5.857 1.00 0.00 H new ATOM 1812 N LYS A 119 12.213 -6.908 3.441 1.00 0.00 N ATOM 1813 CA LYS A 119 12.534 -6.567 4.825 1.00 0.00 C ATOM 1814 C LYS A 119 12.983 -5.106 4.914 1.00 0.00 C ATOM 1815 O LYS A 119 14.076 -4.803 5.393 1.00 0.00 O ATOM 1816 CB LYS A 119 13.646 -7.488 5.374 1.00 0.00 C ATOM 1817 CG LYS A 119 13.468 -8.988 5.111 1.00 0.00 C ATOM 1818 CD LYS A 119 12.158 -9.516 5.648 1.00 0.00 C ATOM 1819 CE LYS A 119 11.992 -10.992 5.354 1.00 0.00 C ATOM 1820 NZ LYS A 119 10.654 -11.477 5.747 1.00 0.00 N1+ ATOM 0 H LYS A 119 11.268 -7.274 3.323 1.00 0.00 H new ATOM 0 HA LYS A 119 11.637 -6.708 5.428 1.00 0.00 H new ATOM 0 HB2 LYS A 119 14.596 -7.174 4.942 1.00 0.00 H new ATOM 0 HB3 LYS A 119 13.719 -7.334 6.451 1.00 0.00 H new ATOM 0 HG2 LYS A 119 13.519 -9.175 4.038 1.00 0.00 H new ATOM 0 HG3 LYS A 119 14.292 -9.535 5.569 1.00 0.00 H new ATOM 0 HD2 LYS A 119 12.112 -9.351 6.724 1.00 0.00 H new ATOM 0 HD3 LYS A 119 11.332 -8.960 5.205 1.00 0.00 H new ATOM 0 HE2 LYS A 119 12.147 -11.171 4.290 1.00 0.00 H new ATOM 0 HE3 LYS A 119 12.756 -11.558 5.887 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 10.545 -12.469 5.455 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 10.549 -11.406 6.779 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 9.925 -10.897 5.284 1.00 0.00 H new ATOM 1834 N ALA A 120 12.128 -4.222 4.440 1.00 0.00 N ATOM 1835 CA ALA A 120 12.402 -2.762 4.312 1.00 0.00 C ATOM 1836 C ALA A 120 12.611 -1.957 5.634 1.00 0.00 C ATOM 1837 O ALA A 120 12.207 -0.781 5.715 1.00 0.00 O ATOM 1838 CB ALA A 120 11.295 -2.139 3.525 1.00 0.00 C ATOM 0 H ALA A 120 11.195 -4.482 4.119 1.00 0.00 H new ATOM 0 HA ALA A 120 13.371 -2.705 3.815 1.00 0.00 H new ATOM 0 HB1 ALA A 120 11.479 -1.070 3.421 1.00 0.00 H new ATOM 0 HB2 ALA A 120 11.249 -2.597 2.537 1.00 0.00 H new ATOM 0 HB3 ALA A 120 10.348 -2.296 4.042 1.00 0.00 H new ATOM 1844 N ALA A 121 13.272 -2.531 6.599 1.00 0.00 N ATOM 1845 CA ALA A 121 13.597 -1.829 7.818 1.00 0.00 C ATOM 1846 C ALA A 121 15.057 -1.473 7.780 1.00 0.00 C ATOM 1847 O ALA A 121 15.911 -2.371 7.958 1.00 0.00 O ATOM 1848 CB ALA A 121 13.290 -2.660 9.040 1.00 0.00 C ATOM 1849 OXT ALA A 121 15.387 -0.314 7.529 1.00 0.00 O ATOM 0 H ALA A 121 13.602 -3.496 6.568 1.00 0.00 H new ATOM 0 HA ALA A 121 12.986 -0.929 7.886 1.00 0.00 H new ATOM 0 HB1 ALA A 121 13.548 -2.097 9.937 1.00 0.00 H new ATOM 0 HB2 ALA A 121 12.228 -2.903 9.057 1.00 0.00 H new ATOM 0 HB3 ALA A 121 13.872 -3.581 9.009 1.00 0.00 H new TER 1855 ALA A 121