USER MOD reduce.3.24.130724 H: found=0, std=0, add=614, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 612 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 ALA N :NH3+ -133:sc= 0.0742 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.0017) USER MOD Single : A 3 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 5 TYR OH : rot -55:sc= 0.236 USER MOD Single : A 6 TYR OH : rot 0:sc= -8.85! USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ -168:sc= -1.85! (180deg=-2.58!) USER MOD Single : A 24 TYR OH : rot -33:sc= 0.0519 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 MET CE :methyl 144:sc= -0.42 (180deg=-1.75!) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 HIS :FLIP no HD1:sc= -9.77! C(o=-11!,f=-9.8!) USER MOD Single : A 36 ASN : amide:sc= 0.0874! K(o=0.087!,f=-1) USER MOD Single : A 37 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ -121:sc= -0.0835 (180deg=-0.595) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 TYR OH : rot 179:sc= -2.56! USER MOD Single : A 57 THR OG1 : rot -98:sc= 0.646 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 60 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 61 LYS NZ :NH3+ -139:sc= 0.937 (180deg=-0.64!) USER MOD Single : A 65 TYR OH : rot 155:sc= 0.0241 USER MOD Single : A 67 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 68 TYR OH : rot 115:sc= -0.224 USER MOD Single : A 70 HIS : no HD1:sc= -1.96! C(o=-2!,f=-3.6!) USER MOD Single : A 75 GLN : amide:sc= -0.0839 X(o=-0.084,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 70.266 -13.236 3.221 1.00 0.00 N ATOM 2 CA ALA A 1 70.704 -12.286 4.283 1.00 0.00 C ATOM 3 C ALA A 1 69.519 -11.439 4.756 1.00 0.00 C ATOM 4 O ALA A 1 68.375 -11.750 4.491 1.00 0.00 O ATOM 5 CB ALA A 1 71.760 -11.405 3.616 1.00 0.00 C ATOM 0 H1 ALA A 1 70.637 -14.185 3.430 1.00 0.00 H new ATOM 0 H2 ALA A 1 69.227 -13.269 3.192 1.00 0.00 H new ATOM 0 H3 ALA A 1 70.628 -12.918 2.300 1.00 0.00 H new ATOM 0 HA ALA A 1 71.097 -12.800 5.160 1.00 0.00 H new ATOM 0 HB1 ALA A 1 72.133 -10.676 4.336 1.00 0.00 H new ATOM 0 HB2 ALA A 1 72.585 -12.026 3.268 1.00 0.00 H new ATOM 0 HB3 ALA A 1 71.316 -10.883 2.768 1.00 0.00 H new ATOM 13 N LYS A 2 69.787 -10.371 5.455 1.00 0.00 N ATOM 14 CA LYS A 2 68.678 -9.503 5.947 1.00 0.00 C ATOM 15 C LYS A 2 68.350 -8.422 4.914 1.00 0.00 C ATOM 16 O LYS A 2 69.022 -7.414 4.821 1.00 0.00 O ATOM 17 CB LYS A 2 69.214 -8.872 7.233 1.00 0.00 C ATOM 18 CG LYS A 2 68.078 -8.155 7.963 1.00 0.00 C ATOM 19 CD LYS A 2 68.122 -8.513 9.449 1.00 0.00 C ATOM 20 CE LYS A 2 68.194 -7.231 10.281 1.00 0.00 C ATOM 21 NZ LYS A 2 66.791 -6.733 10.339 1.00 0.00 N ATOM 0 H LYS A 2 70.725 -10.061 5.707 1.00 0.00 H new ATOM 0 HA LYS A 2 67.759 -10.064 6.118 1.00 0.00 H new ATOM 0 HB2 LYS A 2 69.645 -9.640 7.875 1.00 0.00 H new ATOM 0 HB3 LYS A 2 70.012 -8.167 6.999 1.00 0.00 H new ATOM 0 HG2 LYS A 2 68.172 -7.077 7.835 1.00 0.00 H new ATOM 0 HG3 LYS A 2 67.117 -8.444 7.536 1.00 0.00 H new ATOM 0 HD2 LYS A 2 67.237 -9.087 9.722 1.00 0.00 H new ATOM 0 HD3 LYS A 2 68.987 -9.143 9.657 1.00 0.00 H new ATOM 0 HE2 LYS A 2 68.585 -7.429 11.279 1.00 0.00 H new ATOM 0 HE3 LYS A 2 68.855 -6.497 9.820 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 66.755 -5.863 10.908 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 66.454 -6.531 9.376 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 66.183 -7.457 10.773 1.00 0.00 H new ATOM 35 N GLN A 3 67.320 -8.622 4.137 1.00 0.00 N ATOM 36 CA GLN A 3 66.951 -7.604 3.113 1.00 0.00 C ATOM 37 C GLN A 3 65.428 -7.519 2.972 1.00 0.00 C ATOM 38 O GLN A 3 64.779 -8.453 2.542 1.00 0.00 O ATOM 39 CB GLN A 3 67.586 -8.099 1.814 1.00 0.00 C ATOM 40 CG GLN A 3 68.983 -7.490 1.666 1.00 0.00 C ATOM 41 CD GLN A 3 69.116 -6.846 0.285 1.00 0.00 C ATOM 42 OE1 GLN A 3 69.186 -5.638 0.168 1.00 0.00 O ATOM 43 NE2 GLN A 3 69.156 -7.606 -0.776 1.00 0.00 N ATOM 0 H GLN A 3 66.719 -9.446 4.167 1.00 0.00 H new ATOM 0 HA GLN A 3 67.298 -6.606 3.380 1.00 0.00 H new ATOM 0 HB2 GLN A 3 67.650 -9.187 1.819 1.00 0.00 H new ATOM 0 HB3 GLN A 3 66.964 -7.821 0.963 1.00 0.00 H new ATOM 0 HG2 GLN A 3 69.151 -6.745 2.444 1.00 0.00 H new ATOM 0 HG3 GLN A 3 69.743 -8.261 1.794 1.00 0.00 H new ATOM 0 HE21 GLN A 3 69.097 -8.620 -0.680 1.00 0.00 H new ATOM 0 HE22 GLN A 3 69.246 -7.186 -1.701 1.00 0.00 H new ATOM 52 N ASP A 4 64.857 -6.403 3.332 1.00 0.00 N ATOM 53 CA ASP A 4 63.373 -6.244 3.223 1.00 0.00 C ATOM 54 C ASP A 4 63.024 -4.803 2.947 1.00 0.00 C ATOM 55 O ASP A 4 63.239 -3.945 3.752 1.00 0.00 O ATOM 56 CB ASP A 4 62.765 -6.687 4.568 1.00 0.00 C ATOM 57 CG ASP A 4 63.851 -7.156 5.545 1.00 0.00 C ATOM 58 OD1 ASP A 4 64.762 -6.387 5.802 1.00 0.00 O ATOM 59 OD2 ASP A 4 63.752 -8.278 6.017 1.00 0.00 O ATOM 0 H ASP A 4 65.353 -5.590 3.698 1.00 0.00 H new ATOM 0 HA ASP A 4 62.980 -6.847 2.404 1.00 0.00 H new ATOM 0 HB2 ASP A 4 62.210 -5.859 5.009 1.00 0.00 H new ATOM 0 HB3 ASP A 4 62.052 -7.494 4.399 1.00 0.00 H new ATOM 64 N TYR A 5 62.496 -4.556 1.791 1.00 0.00 N ATOM 65 CA TYR A 5 62.105 -3.164 1.398 1.00 0.00 C ATOM 66 C TYR A 5 61.610 -2.372 2.611 1.00 0.00 C ATOM 67 O TYR A 5 62.216 -1.397 3.005 1.00 0.00 O ATOM 68 CB TYR A 5 61.003 -3.285 0.337 1.00 0.00 C ATOM 69 CG TYR A 5 60.689 -4.727 0.038 1.00 0.00 C ATOM 70 CD1 TYR A 5 59.975 -5.496 0.959 1.00 0.00 C ATOM 71 CD2 TYR A 5 61.148 -5.295 -1.151 1.00 0.00 C ATOM 72 CE1 TYR A 5 59.710 -6.842 0.685 1.00 0.00 C ATOM 73 CE2 TYR A 5 60.887 -6.640 -1.429 1.00 0.00 C ATOM 74 CZ TYR A 5 60.166 -7.416 -0.511 1.00 0.00 C ATOM 75 OH TYR A 5 59.907 -8.744 -0.783 1.00 0.00 O ATOM 0 H TYR A 5 62.311 -5.266 1.082 1.00 0.00 H new ATOM 0 HA TYR A 5 62.964 -2.624 0.998 1.00 0.00 H new ATOM 0 HB2 TYR A 5 60.103 -2.779 0.685 1.00 0.00 H new ATOM 0 HB3 TYR A 5 61.318 -2.782 -0.577 1.00 0.00 H new ATOM 0 HD1 TYR A 5 59.628 -5.053 1.881 1.00 0.00 H new ATOM 0 HD2 TYR A 5 61.705 -4.696 -1.856 1.00 0.00 H new ATOM 0 HE1 TYR A 5 59.155 -7.439 1.394 1.00 0.00 H new ATOM 0 HE2 TYR A 5 61.240 -7.080 -2.350 1.00 0.00 H new ATOM 0 HH TYR A 5 60.232 -9.299 -0.043 1.00 0.00 H new ATOM 85 N TYR A 6 60.532 -2.774 3.228 1.00 0.00 N ATOM 86 CA TYR A 6 60.069 -2.015 4.422 1.00 0.00 C ATOM 87 C TYR A 6 61.262 -1.787 5.337 1.00 0.00 C ATOM 88 O TYR A 6 61.376 -0.776 5.998 1.00 0.00 O ATOM 89 CB TYR A 6 59.009 -2.882 5.071 1.00 0.00 C ATOM 90 CG TYR A 6 57.679 -2.535 4.457 1.00 0.00 C ATOM 91 CD1 TYR A 6 57.111 -1.282 4.702 1.00 0.00 C ATOM 92 CD2 TYR A 6 57.012 -3.464 3.647 1.00 0.00 C ATOM 93 CE1 TYR A 6 55.876 -0.954 4.142 1.00 0.00 C ATOM 94 CE2 TYR A 6 55.773 -3.133 3.084 1.00 0.00 C ATOM 95 CZ TYR A 6 55.208 -1.875 3.336 1.00 0.00 C ATOM 96 OH TYR A 6 53.990 -1.542 2.797 1.00 0.00 O ATOM 0 H TYR A 6 59.963 -3.578 2.964 1.00 0.00 H new ATOM 0 HA TYR A 6 59.653 -1.036 4.183 1.00 0.00 H new ATOM 0 HB2 TYR A 6 59.235 -3.937 4.918 1.00 0.00 H new ATOM 0 HB3 TYR A 6 58.987 -2.714 6.148 1.00 0.00 H new ATOM 0 HD1 TYR A 6 57.628 -0.567 5.325 1.00 0.00 H new ATOM 0 HD2 TYR A 6 57.452 -4.432 3.458 1.00 0.00 H new ATOM 0 HE1 TYR A 6 55.437 0.014 4.333 1.00 0.00 H new ATOM 0 HE2 TYR A 6 55.255 -3.844 2.458 1.00 0.00 H new ATOM 0 HH TYR A 6 53.745 -0.636 3.078 1.00 0.00 H new ATOM 106 N GLU A 7 62.189 -2.701 5.321 1.00 0.00 N ATOM 107 CA GLU A 7 63.424 -2.522 6.127 1.00 0.00 C ATOM 108 C GLU A 7 64.426 -1.732 5.278 1.00 0.00 C ATOM 109 O GLU A 7 65.218 -0.960 5.783 1.00 0.00 O ATOM 110 CB GLU A 7 63.947 -3.933 6.406 1.00 0.00 C ATOM 111 CG GLU A 7 63.880 -4.217 7.907 1.00 0.00 C ATOM 112 CD GLU A 7 65.251 -3.960 8.536 1.00 0.00 C ATOM 113 OE1 GLU A 7 66.234 -4.031 7.818 1.00 0.00 O ATOM 114 OE2 GLU A 7 65.294 -3.697 9.727 1.00 0.00 O ATOM 0 H GLU A 7 62.144 -3.566 4.783 1.00 0.00 H new ATOM 0 HA GLU A 7 63.256 -1.984 7.060 1.00 0.00 H new ATOM 0 HB2 GLU A 7 63.354 -4.666 5.860 1.00 0.00 H new ATOM 0 HB3 GLU A 7 64.974 -4.028 6.053 1.00 0.00 H new ATOM 0 HG2 GLU A 7 63.128 -3.581 8.375 1.00 0.00 H new ATOM 0 HG3 GLU A 7 63.577 -5.250 8.079 1.00 0.00 H new ATOM 121 N ILE A 8 64.375 -1.913 3.977 1.00 0.00 N ATOM 122 CA ILE A 8 65.296 -1.171 3.078 1.00 0.00 C ATOM 123 C ILE A 8 65.227 0.311 3.431 1.00 0.00 C ATOM 124 O ILE A 8 66.228 0.989 3.555 1.00 0.00 O ATOM 125 CB ILE A 8 64.784 -1.414 1.662 1.00 0.00 C ATOM 126 CG1 ILE A 8 65.094 -2.862 1.256 1.00 0.00 C ATOM 127 CG2 ILE A 8 65.482 -0.462 0.699 1.00 0.00 C ATOM 128 CD1 ILE A 8 66.603 -3.062 1.135 1.00 0.00 C ATOM 0 H ILE A 8 63.730 -2.547 3.505 1.00 0.00 H new ATOM 0 HA ILE A 8 66.332 -1.495 3.173 1.00 0.00 H new ATOM 0 HB ILE A 8 63.708 -1.242 1.628 1.00 0.00 H new ATOM 0 HG12 ILE A 8 64.686 -3.551 1.996 1.00 0.00 H new ATOM 0 HG13 ILE A 8 64.612 -3.093 0.306 1.00 0.00 H new ATOM 0 HG21 ILE A 8 65.116 -0.635 -0.313 1.00 0.00 H new ATOM 0 HG22 ILE A 8 65.272 0.568 0.989 1.00 0.00 H new ATOM 0 HG23 ILE A 8 66.558 -0.636 0.731 1.00 0.00 H new ATOM 0 HD11 ILE A 8 66.812 -4.092 0.847 1.00 0.00 H new ATOM 0 HD12 ILE A 8 67.000 -2.386 0.378 1.00 0.00 H new ATOM 0 HD13 ILE A 8 67.076 -2.851 2.094 1.00 0.00 H new ATOM 140 N LEU A 9 64.032 0.801 3.632 1.00 0.00 N ATOM 141 CA LEU A 9 63.849 2.227 4.024 1.00 0.00 C ATOM 142 C LEU A 9 63.918 2.328 5.550 1.00 0.00 C ATOM 143 O LEU A 9 63.444 3.268 6.150 1.00 0.00 O ATOM 144 CB LEU A 9 62.460 2.602 3.510 1.00 0.00 C ATOM 145 CG LEU A 9 62.293 2.099 2.080 1.00 0.00 C ATOM 146 CD1 LEU A 9 61.124 1.115 2.021 1.00 0.00 C ATOM 147 CD2 LEU A 9 62.011 3.283 1.154 1.00 0.00 C ATOM 0 H LEU A 9 63.167 0.268 3.540 1.00 0.00 H new ATOM 0 HA LEU A 9 64.611 2.891 3.616 1.00 0.00 H new ATOM 0 HB2 LEU A 9 61.694 2.167 4.152 1.00 0.00 H new ATOM 0 HB3 LEU A 9 62.328 3.683 3.544 1.00 0.00 H new ATOM 0 HG LEU A 9 63.207 1.598 1.760 1.00 0.00 H new ATOM 0 HD11 LEU A 9 61.003 0.754 0.999 1.00 0.00 H new ATOM 0 HD12 LEU A 9 61.324 0.272 2.682 1.00 0.00 H new ATOM 0 HD13 LEU A 9 60.210 1.616 2.339 1.00 0.00 H new ATOM 0 HD21 LEU A 9 61.891 2.925 0.132 1.00 0.00 H new ATOM 0 HD22 LEU A 9 61.097 3.784 1.472 1.00 0.00 H new ATOM 0 HD23 LEU A 9 62.844 3.985 1.197 1.00 0.00 H new ATOM 159 N GLY A 10 64.509 1.349 6.181 1.00 0.00 N ATOM 160 CA GLY A 10 64.628 1.367 7.662 1.00 0.00 C ATOM 161 C GLY A 10 63.248 1.404 8.322 1.00 0.00 C ATOM 162 O GLY A 10 63.123 1.802 9.462 1.00 0.00 O ATOM 0 H GLY A 10 64.917 0.532 5.727 1.00 0.00 H new ATOM 0 HA2 GLY A 10 65.172 0.484 7.998 1.00 0.00 H new ATOM 0 HA3 GLY A 10 65.208 2.236 7.973 1.00 0.00 H new ATOM 166 N VAL A 11 62.204 0.998 7.643 1.00 0.00 N ATOM 167 CA VAL A 11 60.865 1.040 8.311 1.00 0.00 C ATOM 168 C VAL A 11 60.378 -0.364 8.647 1.00 0.00 C ATOM 169 O VAL A 11 61.014 -1.354 8.340 1.00 0.00 O ATOM 170 CB VAL A 11 59.865 1.680 7.340 1.00 0.00 C ATOM 171 CG1 VAL A 11 59.297 2.946 7.971 1.00 0.00 C ATOM 172 CG2 VAL A 11 60.511 2.036 6.011 1.00 0.00 C ATOM 0 H VAL A 11 62.216 0.649 6.685 1.00 0.00 H new ATOM 0 HA VAL A 11 60.948 1.613 9.235 1.00 0.00 H new ATOM 0 HB VAL A 11 59.075 0.954 7.146 1.00 0.00 H new ATOM 0 HG11 VAL A 11 58.585 3.406 7.286 1.00 0.00 H new ATOM 0 HG12 VAL A 11 58.792 2.693 8.903 1.00 0.00 H new ATOM 0 HG13 VAL A 11 60.107 3.646 8.176 1.00 0.00 H new ATOM 0 HG21 VAL A 11 59.767 2.486 5.354 1.00 0.00 H new ATOM 0 HG22 VAL A 11 61.323 2.744 6.179 1.00 0.00 H new ATOM 0 HG23 VAL A 11 60.907 1.133 5.546 1.00 0.00 H new ATOM 182 N SER A 12 59.235 -0.447 9.265 1.00 0.00 N ATOM 183 CA SER A 12 58.668 -1.771 9.616 1.00 0.00 C ATOM 184 C SER A 12 57.844 -2.297 8.451 1.00 0.00 C ATOM 185 O SER A 12 57.251 -1.541 7.711 1.00 0.00 O ATOM 186 CB SER A 12 57.779 -1.522 10.834 1.00 0.00 C ATOM 187 OG SER A 12 57.597 -2.744 11.540 1.00 0.00 O ATOM 0 H SER A 12 58.667 0.353 9.543 1.00 0.00 H new ATOM 0 HA SER A 12 59.440 -2.510 9.830 1.00 0.00 H new ATOM 0 HB2 SER A 12 58.235 -0.777 11.485 1.00 0.00 H new ATOM 0 HB3 SER A 12 56.815 -1.123 10.519 1.00 0.00 H new ATOM 0 HG SER A 12 57.029 -2.588 12.323 1.00 0.00 H new ATOM 193 N LYS A 13 57.784 -3.586 8.284 1.00 0.00 N ATOM 194 CA LYS A 13 56.972 -4.127 7.169 1.00 0.00 C ATOM 195 C LYS A 13 55.578 -3.513 7.230 1.00 0.00 C ATOM 196 O LYS A 13 54.843 -3.503 6.262 1.00 0.00 O ATOM 197 CB LYS A 13 56.943 -5.633 7.381 1.00 0.00 C ATOM 198 CG LYS A 13 56.353 -5.958 8.755 1.00 0.00 C ATOM 199 CD LYS A 13 57.391 -6.721 9.583 1.00 0.00 C ATOM 200 CE LYS A 13 56.874 -8.130 9.880 1.00 0.00 C ATOM 201 NZ LYS A 13 56.128 -8.002 11.163 1.00 0.00 N ATOM 0 H LYS A 13 58.256 -4.279 8.864 1.00 0.00 H new ATOM 0 HA LYS A 13 57.379 -3.893 6.185 1.00 0.00 H new ATOM 0 HB2 LYS A 13 56.349 -6.107 6.600 1.00 0.00 H new ATOM 0 HB3 LYS A 13 57.952 -6.039 7.304 1.00 0.00 H new ATOM 0 HG2 LYS A 13 56.066 -5.039 9.267 1.00 0.00 H new ATOM 0 HG3 LYS A 13 55.449 -6.556 8.643 1.00 0.00 H new ATOM 0 HD2 LYS A 13 58.335 -6.776 9.041 1.00 0.00 H new ATOM 0 HD3 LYS A 13 57.589 -6.191 10.515 1.00 0.00 H new ATOM 0 HE2 LYS A 13 56.226 -8.490 9.081 1.00 0.00 H new ATOM 0 HE3 LYS A 13 57.695 -8.841 9.970 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 55.742 -8.929 11.434 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 56.772 -7.664 11.907 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 55.349 -7.324 11.045 1.00 0.00 H new ATOM 215 N THR A 14 55.218 -2.986 8.367 1.00 0.00 N ATOM 216 CA THR A 14 53.886 -2.348 8.514 1.00 0.00 C ATOM 217 C THR A 14 54.016 -0.825 8.365 1.00 0.00 C ATOM 218 O THR A 14 53.058 -0.102 8.554 1.00 0.00 O ATOM 219 CB THR A 14 53.422 -2.716 9.928 1.00 0.00 C ATOM 220 OG1 THR A 14 53.968 -1.790 10.857 1.00 0.00 O ATOM 221 CG2 THR A 14 53.894 -4.131 10.276 1.00 0.00 C ATOM 0 H THR A 14 55.797 -2.971 9.207 1.00 0.00 H new ATOM 0 HA THR A 14 53.178 -2.684 7.757 1.00 0.00 H new ATOM 0 HB THR A 14 52.333 -2.681 9.973 1.00 0.00 H new ATOM 0 HG1 THR A 14 53.672 -2.021 11.762 1.00 0.00 H new ATOM 0 HG21 THR A 14 53.562 -4.388 11.282 1.00 0.00 H new ATOM 0 HG22 THR A 14 53.474 -4.840 9.563 1.00 0.00 H new ATOM 0 HG23 THR A 14 54.982 -4.173 10.231 1.00 0.00 H new ATOM 229 N ALA A 15 55.191 -0.330 8.033 1.00 0.00 N ATOM 230 CA ALA A 15 55.366 1.137 7.872 1.00 0.00 C ATOM 231 C ALA A 15 54.357 1.693 6.865 1.00 0.00 C ATOM 232 O ALA A 15 53.282 1.167 6.674 1.00 0.00 O ATOM 233 CB ALA A 15 56.785 1.304 7.339 1.00 0.00 C ATOM 0 H ALA A 15 56.030 -0.886 7.869 1.00 0.00 H new ATOM 0 HA ALA A 15 55.206 1.672 8.808 1.00 0.00 H new ATOM 0 HB1 ALA A 15 56.996 2.363 7.192 1.00 0.00 H new ATOM 0 HB2 ALA A 15 57.494 0.889 8.055 1.00 0.00 H new ATOM 0 HB3 ALA A 15 56.881 0.779 6.388 1.00 0.00 H new ATOM 239 N GLU A 16 54.721 2.751 6.216 1.00 0.00 N ATOM 240 CA GLU A 16 53.822 3.377 5.202 1.00 0.00 C ATOM 241 C GLU A 16 54.667 4.111 4.154 1.00 0.00 C ATOM 242 O GLU A 16 55.662 3.597 3.691 1.00 0.00 O ATOM 243 CB GLU A 16 52.952 4.361 5.992 1.00 0.00 C ATOM 244 CG GLU A 16 52.074 3.594 6.983 1.00 0.00 C ATOM 245 CD GLU A 16 50.794 4.388 7.248 1.00 0.00 C ATOM 246 OE1 GLU A 16 50.307 5.016 6.322 1.00 0.00 O ATOM 247 OE2 GLU A 16 50.321 4.355 8.372 1.00 0.00 O ATOM 0 H GLU A 16 55.617 3.223 6.341 1.00 0.00 H new ATOM 0 HA GLU A 16 53.212 2.647 4.670 1.00 0.00 H new ATOM 0 HB2 GLU A 16 53.583 5.072 6.525 1.00 0.00 H new ATOM 0 HB3 GLU A 16 52.328 4.938 5.310 1.00 0.00 H new ATOM 0 HG2 GLU A 16 51.829 2.610 6.583 1.00 0.00 H new ATOM 0 HG3 GLU A 16 52.615 3.433 7.916 1.00 0.00 H new ATOM 254 N GLU A 17 54.282 5.302 3.771 1.00 0.00 N ATOM 255 CA GLU A 17 55.078 6.058 2.754 1.00 0.00 C ATOM 256 C GLU A 17 56.155 6.918 3.434 1.00 0.00 C ATOM 257 O GLU A 17 57.337 6.650 3.341 1.00 0.00 O ATOM 258 CB GLU A 17 54.060 6.945 2.030 1.00 0.00 C ATOM 259 CG GLU A 17 52.850 6.105 1.616 1.00 0.00 C ATOM 260 CD GLU A 17 51.837 6.992 0.887 1.00 0.00 C ATOM 261 OE1 GLU A 17 51.260 7.852 1.531 1.00 0.00 O ATOM 262 OE2 GLU A 17 51.656 6.795 -0.304 1.00 0.00 O ATOM 0 H GLU A 17 53.452 5.784 4.117 1.00 0.00 H new ATOM 0 HA GLU A 17 55.601 5.390 2.069 1.00 0.00 H new ATOM 0 HB2 GLU A 17 53.744 7.760 2.682 1.00 0.00 H new ATOM 0 HB3 GLU A 17 54.518 7.399 1.151 1.00 0.00 H new ATOM 0 HG2 GLU A 17 53.166 5.288 0.968 1.00 0.00 H new ATOM 0 HG3 GLU A 17 52.389 5.655 2.495 1.00 0.00 H new ATOM 269 N ARG A 18 55.741 7.961 4.104 1.00 0.00 N ATOM 270 CA ARG A 18 56.705 8.879 4.796 1.00 0.00 C ATOM 271 C ARG A 18 57.904 8.124 5.387 1.00 0.00 C ATOM 272 O ARG A 18 58.997 8.162 4.864 1.00 0.00 O ATOM 273 CB ARG A 18 55.892 9.536 5.920 1.00 0.00 C ATOM 274 CG ARG A 18 54.837 8.557 6.452 1.00 0.00 C ATOM 275 CD ARG A 18 54.723 8.701 7.972 1.00 0.00 C ATOM 276 NE ARG A 18 54.426 10.144 8.198 1.00 0.00 N ATOM 277 CZ ARG A 18 54.451 10.635 9.407 1.00 0.00 C ATOM 278 NH1 ARG A 18 54.046 9.912 10.414 1.00 0.00 N ATOM 279 NH2 ARG A 18 54.880 11.851 9.608 1.00 0.00 N ATOM 0 H ARG A 18 54.760 8.223 4.205 1.00 0.00 H new ATOM 0 HA ARG A 18 57.123 9.601 4.095 1.00 0.00 H new ATOM 0 HB2 ARG A 18 56.556 9.841 6.729 1.00 0.00 H new ATOM 0 HB3 ARG A 18 55.407 10.438 5.548 1.00 0.00 H new ATOM 0 HG2 ARG A 18 53.873 8.756 5.984 1.00 0.00 H new ATOM 0 HG3 ARG A 18 55.112 7.534 6.193 1.00 0.00 H new ATOM 0 HD2 ARG A 18 53.931 8.067 8.371 1.00 0.00 H new ATOM 0 HD3 ARG A 18 55.648 8.405 8.468 1.00 0.00 H new ATOM 0 HE ARG A 18 54.203 10.748 7.407 1.00 0.00 H new ATOM 0 HH11 ARG A 18 53.709 8.962 10.257 1.00 0.00 H new ATOM 0 HH12 ARG A 18 54.066 10.296 11.359 1.00 0.00 H new ATOM 0 HH21 ARG A 18 55.196 12.417 8.820 1.00 0.00 H new ATOM 0 HH22 ARG A 18 54.900 12.235 10.553 1.00 0.00 H new ATOM 293 N GLU A 19 57.713 7.449 6.480 1.00 0.00 N ATOM 294 CA GLU A 19 58.828 6.709 7.109 1.00 0.00 C ATOM 295 C GLU A 19 59.575 5.910 6.046 1.00 0.00 C ATOM 296 O GLU A 19 60.744 5.610 6.179 1.00 0.00 O ATOM 297 CB GLU A 19 58.146 5.804 8.131 1.00 0.00 C ATOM 298 CG GLU A 19 57.034 4.993 7.457 1.00 0.00 C ATOM 299 CD GLU A 19 56.099 4.427 8.528 1.00 0.00 C ATOM 300 OE1 GLU A 19 56.471 3.448 9.154 1.00 0.00 O ATOM 301 OE2 GLU A 19 55.027 4.983 8.704 1.00 0.00 O ATOM 0 H GLU A 19 56.820 7.379 6.968 1.00 0.00 H new ATOM 0 HA GLU A 19 59.570 7.352 7.581 1.00 0.00 H new ATOM 0 HB2 GLU A 19 58.878 5.131 8.578 1.00 0.00 H new ATOM 0 HB3 GLU A 19 57.730 6.405 8.940 1.00 0.00 H new ATOM 0 HG2 GLU A 19 56.475 5.625 6.767 1.00 0.00 H new ATOM 0 HG3 GLU A 19 57.465 4.183 6.869 1.00 0.00 H new ATOM 308 N ILE A 20 58.905 5.588 4.979 1.00 0.00 N ATOM 309 CA ILE A 20 59.562 4.833 3.882 1.00 0.00 C ATOM 310 C ILE A 20 60.326 5.811 2.991 1.00 0.00 C ATOM 311 O ILE A 20 61.406 5.523 2.513 1.00 0.00 O ATOM 312 CB ILE A 20 58.393 4.163 3.140 1.00 0.00 C ATOM 313 CG1 ILE A 20 58.509 2.644 3.278 1.00 0.00 C ATOM 314 CG2 ILE A 20 58.385 4.545 1.653 1.00 0.00 C ATOM 315 CD1 ILE A 20 57.844 2.196 4.580 1.00 0.00 C ATOM 0 H ILE A 20 57.924 5.817 4.819 1.00 0.00 H new ATOM 0 HA ILE A 20 60.289 4.095 4.220 1.00 0.00 H new ATOM 0 HB ILE A 20 57.460 4.510 3.585 1.00 0.00 H new ATOM 0 HG12 ILE A 20 58.034 2.154 2.428 1.00 0.00 H new ATOM 0 HG13 ILE A 20 59.558 2.347 3.272 1.00 0.00 H new ATOM 0 HG21 ILE A 20 57.547 4.056 1.156 1.00 0.00 H new ATOM 0 HG22 ILE A 20 58.284 5.626 1.556 1.00 0.00 H new ATOM 0 HG23 ILE A 20 59.318 4.225 1.190 1.00 0.00 H new ATOM 0 HD11 ILE A 20 57.927 1.114 4.677 1.00 0.00 H new ATOM 0 HD12 ILE A 20 58.339 2.675 5.425 1.00 0.00 H new ATOM 0 HD13 ILE A 20 56.792 2.479 4.567 1.00 0.00 H new ATOM 327 N ARG A 21 59.776 6.973 2.772 1.00 0.00 N ATOM 328 CA ARG A 21 60.495 7.966 1.918 1.00 0.00 C ATOM 329 C ARG A 21 61.434 8.786 2.787 1.00 0.00 C ATOM 330 O ARG A 21 62.544 9.090 2.401 1.00 0.00 O ATOM 331 CB ARG A 21 59.424 8.846 1.245 1.00 0.00 C ATOM 332 CG ARG A 21 58.511 9.506 2.284 1.00 0.00 C ATOM 333 CD ARG A 21 59.184 10.753 2.859 1.00 0.00 C ATOM 334 NE ARG A 21 58.176 11.835 2.690 1.00 0.00 N ATOM 335 CZ ARG A 21 58.549 13.084 2.690 1.00 0.00 C ATOM 336 NH1 ARG A 21 59.194 13.571 3.715 1.00 0.00 N ATOM 337 NH2 ARG A 21 58.278 13.846 1.667 1.00 0.00 N ATOM 0 H ARG A 21 58.874 7.277 3.140 1.00 0.00 H new ATOM 0 HA ARG A 21 61.101 7.482 1.152 1.00 0.00 H new ATOM 0 HB2 ARG A 21 59.908 9.615 0.643 1.00 0.00 H new ATOM 0 HB3 ARG A 21 58.826 8.239 0.566 1.00 0.00 H new ATOM 0 HG2 ARG A 21 57.560 9.776 1.825 1.00 0.00 H new ATOM 0 HG3 ARG A 21 58.289 8.801 3.085 1.00 0.00 H new ATOM 0 HD2 ARG A 21 59.445 10.615 3.908 1.00 0.00 H new ATOM 0 HD3 ARG A 21 60.108 10.985 2.329 1.00 0.00 H new ATOM 0 HE ARG A 21 57.191 11.598 2.574 1.00 0.00 H new ATOM 0 HH11 ARG A 21 59.406 12.974 4.515 1.00 0.00 H new ATOM 0 HH12 ARG A 21 59.486 14.548 3.716 1.00 0.00 H new ATOM 0 HH21 ARG A 21 57.774 13.465 0.866 1.00 0.00 H new ATOM 0 HH22 ARG A 21 58.570 14.823 1.667 1.00 0.00 H new ATOM 351 N LYS A 22 61.011 9.117 3.968 1.00 0.00 N ATOM 352 CA LYS A 22 61.883 9.892 4.884 1.00 0.00 C ATOM 353 C LYS A 22 63.219 9.160 5.063 1.00 0.00 C ATOM 354 O LYS A 22 64.277 9.756 5.041 1.00 0.00 O ATOM 355 CB LYS A 22 61.107 9.944 6.205 1.00 0.00 C ATOM 356 CG LYS A 22 62.068 10.241 7.361 1.00 0.00 C ATOM 357 CD LYS A 22 62.987 11.409 6.988 1.00 0.00 C ATOM 358 CE LYS A 22 62.240 12.728 7.198 1.00 0.00 C ATOM 359 NZ LYS A 22 63.238 13.640 7.822 1.00 0.00 N ATOM 0 H LYS A 22 60.091 8.882 4.342 1.00 0.00 H new ATOM 0 HA LYS A 22 62.114 10.890 4.511 1.00 0.00 H new ATOM 0 HB2 LYS A 22 60.336 10.713 6.154 1.00 0.00 H new ATOM 0 HB3 LYS A 22 60.600 8.995 6.377 1.00 0.00 H new ATOM 0 HG2 LYS A 22 61.504 10.484 8.261 1.00 0.00 H new ATOM 0 HG3 LYS A 22 62.663 9.356 7.587 1.00 0.00 H new ATOM 0 HD2 LYS A 22 63.889 11.387 7.600 1.00 0.00 H new ATOM 0 HD3 LYS A 22 63.305 11.319 5.949 1.00 0.00 H new ATOM 0 HE2 LYS A 22 61.875 13.130 6.253 1.00 0.00 H new ATOM 0 HE3 LYS A 22 61.372 12.592 7.843 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 62.756 14.489 8.181 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 63.711 13.151 8.609 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 63.945 13.918 7.112 1.00 0.00 H new ATOM 373 N ALA A 23 63.174 7.869 5.237 1.00 0.00 N ATOM 374 CA ALA A 23 64.433 7.090 5.418 1.00 0.00 C ATOM 375 C ALA A 23 65.366 7.308 4.228 1.00 0.00 C ATOM 376 O ALA A 23 66.514 7.668 4.385 1.00 0.00 O ATOM 377 CB ALA A 23 63.987 5.634 5.484 1.00 0.00 C ATOM 0 H ALA A 23 62.317 7.317 5.262 1.00 0.00 H new ATOM 0 HA ALA A 23 64.981 7.392 6.311 1.00 0.00 H new ATOM 0 HB1 ALA A 23 64.858 4.992 5.617 1.00 0.00 H new ATOM 0 HB2 ALA A 23 63.306 5.500 6.324 1.00 0.00 H new ATOM 0 HB3 ALA A 23 63.478 5.367 4.558 1.00 0.00 H new ATOM 383 N TYR A 24 64.868 7.128 3.036 1.00 0.00 N ATOM 384 CA TYR A 24 65.712 7.358 1.840 1.00 0.00 C ATOM 385 C TYR A 24 66.007 8.847 1.768 1.00 0.00 C ATOM 386 O TYR A 24 66.862 9.302 1.044 1.00 0.00 O ATOM 387 CB TYR A 24 64.861 6.897 0.652 1.00 0.00 C ATOM 388 CG TYR A 24 65.736 6.766 -0.572 1.00 0.00 C ATOM 389 CD1 TYR A 24 67.008 6.194 -0.465 1.00 0.00 C ATOM 390 CD2 TYR A 24 65.274 7.222 -1.812 1.00 0.00 C ATOM 391 CE1 TYR A 24 67.820 6.078 -1.600 1.00 0.00 C ATOM 392 CE2 TYR A 24 66.086 7.107 -2.946 1.00 0.00 C ATOM 393 CZ TYR A 24 67.358 6.536 -2.840 1.00 0.00 C ATOM 394 OH TYR A 24 68.156 6.422 -3.959 1.00 0.00 O ATOM 0 H TYR A 24 63.911 6.831 2.843 1.00 0.00 H new ATOM 0 HA TYR A 24 66.662 6.824 1.856 1.00 0.00 H new ATOM 0 HB2 TYR A 24 64.388 5.941 0.878 1.00 0.00 H new ATOM 0 HB3 TYR A 24 64.060 7.612 0.465 1.00 0.00 H new ATOM 0 HD1 TYR A 24 67.364 5.842 0.492 1.00 0.00 H new ATOM 0 HD2 TYR A 24 64.291 7.662 -1.894 1.00 0.00 H new ATOM 0 HE1 TYR A 24 68.802 5.636 -1.519 1.00 0.00 H new ATOM 0 HE2 TYR A 24 65.730 7.459 -3.903 1.00 0.00 H new ATOM 0 HH TYR A 24 69.096 6.520 -3.701 1.00 0.00 H new ATOM 404 N LYS A 25 65.287 9.601 2.540 1.00 0.00 N ATOM 405 CA LYS A 25 65.483 11.061 2.576 1.00 0.00 C ATOM 406 C LYS A 25 66.541 11.420 3.620 1.00 0.00 C ATOM 407 O LYS A 25 67.464 12.166 3.358 1.00 0.00 O ATOM 408 CB LYS A 25 64.114 11.571 2.996 1.00 0.00 C ATOM 409 CG LYS A 25 63.482 12.367 1.857 1.00 0.00 C ATOM 410 CD LYS A 25 62.480 11.474 1.124 1.00 0.00 C ATOM 411 CE LYS A 25 61.611 12.327 0.197 1.00 0.00 C ATOM 412 NZ LYS A 25 61.814 11.747 -1.160 1.00 0.00 N ATOM 0 H LYS A 25 64.555 9.254 3.160 1.00 0.00 H new ATOM 0 HA LYS A 25 65.828 11.485 1.633 1.00 0.00 H new ATOM 0 HB2 LYS A 25 63.471 10.733 3.265 1.00 0.00 H new ATOM 0 HB3 LYS A 25 64.207 12.199 3.882 1.00 0.00 H new ATOM 0 HG2 LYS A 25 62.981 13.253 2.249 1.00 0.00 H new ATOM 0 HG3 LYS A 25 64.252 12.715 1.168 1.00 0.00 H new ATOM 0 HD2 LYS A 25 63.009 10.715 0.547 1.00 0.00 H new ATOM 0 HD3 LYS A 25 61.853 10.948 1.844 1.00 0.00 H new ATOM 0 HE2 LYS A 25 60.562 12.287 0.491 1.00 0.00 H new ATOM 0 HE3 LYS A 25 61.911 13.375 0.228 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 61.250 12.279 -1.853 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 62.820 11.805 -1.415 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 61.514 10.751 -1.160 1.00 0.00 H new ATOM 426 N ARG A 26 66.405 10.893 4.807 1.00 0.00 N ATOM 427 CA ARG A 26 67.391 11.199 5.880 1.00 0.00 C ATOM 428 C ARG A 26 68.573 10.229 5.816 1.00 0.00 C ATOM 429 O ARG A 26 69.687 10.572 6.160 1.00 0.00 O ATOM 430 CB ARG A 26 66.621 11.014 7.186 1.00 0.00 C ATOM 431 CG ARG A 26 66.266 12.385 7.764 1.00 0.00 C ATOM 432 CD ARG A 26 66.356 12.335 9.292 1.00 0.00 C ATOM 433 NE ARG A 26 67.731 12.806 9.612 1.00 0.00 N ATOM 434 CZ ARG A 26 67.908 13.776 10.467 1.00 0.00 C ATOM 435 NH1 ARG A 26 67.086 14.791 10.484 1.00 0.00 N ATOM 436 NH2 ARG A 26 68.909 13.735 11.304 1.00 0.00 N ATOM 0 H ARG A 26 65.651 10.262 5.079 1.00 0.00 H new ATOM 0 HA ARG A 26 67.803 12.203 5.783 1.00 0.00 H new ATOM 0 HB2 ARG A 26 65.714 10.436 7.008 1.00 0.00 H new ATOM 0 HB3 ARG A 26 67.223 10.451 7.899 1.00 0.00 H new ATOM 0 HG2 ARG A 26 66.945 13.143 7.374 1.00 0.00 H new ATOM 0 HG3 ARG A 26 65.260 12.671 7.458 1.00 0.00 H new ATOM 0 HD2 ARG A 26 65.603 12.974 9.753 1.00 0.00 H new ATOM 0 HD3 ARG A 26 66.188 11.324 9.664 1.00 0.00 H new ATOM 0 HE ARG A 26 68.536 12.370 9.162 1.00 0.00 H new ATOM 0 HH11 ARG A 26 66.305 14.826 9.829 1.00 0.00 H new ATOM 0 HH12 ARG A 26 67.225 15.549 11.153 1.00 0.00 H new ATOM 0 HH21 ARG A 26 69.553 12.944 11.290 1.00 0.00 H new ATOM 0 HH22 ARG A 26 69.047 14.494 11.972 1.00 0.00 H new ATOM 450 N LEU A 27 68.345 9.020 5.375 1.00 0.00 N ATOM 451 CA LEU A 27 69.461 8.042 5.289 1.00 0.00 C ATOM 452 C LEU A 27 70.295 8.330 4.048 1.00 0.00 C ATOM 453 O LEU A 27 71.499 8.180 4.047 1.00 0.00 O ATOM 454 CB LEU A 27 68.799 6.658 5.208 1.00 0.00 C ATOM 455 CG LEU A 27 68.536 6.259 3.751 1.00 0.00 C ATOM 456 CD1 LEU A 27 69.826 5.719 3.129 1.00 0.00 C ATOM 457 CD2 LEU A 27 67.459 5.173 3.709 1.00 0.00 C ATOM 0 H LEU A 27 67.436 8.671 5.072 1.00 0.00 H new ATOM 0 HA LEU A 27 70.132 8.099 6.146 1.00 0.00 H new ATOM 0 HB2 LEU A 27 69.441 5.916 5.682 1.00 0.00 H new ATOM 0 HB3 LEU A 27 67.860 6.667 5.761 1.00 0.00 H new ATOM 0 HG LEU A 27 68.199 7.131 3.190 1.00 0.00 H new ATOM 0 HD11 LEU A 27 69.639 5.435 2.093 1.00 0.00 H new ATOM 0 HD12 LEU A 27 70.596 6.490 3.161 1.00 0.00 H new ATOM 0 HD13 LEU A 27 70.163 4.847 3.689 1.00 0.00 H new ATOM 0 HD21 LEU A 27 67.270 4.888 2.674 1.00 0.00 H new ATOM 0 HD22 LEU A 27 67.799 4.302 4.269 1.00 0.00 H new ATOM 0 HD23 LEU A 27 66.540 5.555 4.154 1.00 0.00 H new ATOM 469 N ALA A 28 69.658 8.740 2.988 1.00 0.00 N ATOM 470 CA ALA A 28 70.411 9.028 1.750 1.00 0.00 C ATOM 471 C ALA A 28 71.129 10.363 1.890 1.00 0.00 C ATOM 472 O ALA A 28 72.290 10.487 1.553 1.00 0.00 O ATOM 473 CB ALA A 28 69.347 9.057 0.659 1.00 0.00 C ATOM 0 H ALA A 28 68.650 8.886 2.931 1.00 0.00 H new ATOM 0 HA ALA A 28 71.183 8.292 1.525 1.00 0.00 H new ATOM 0 HB1 ALA A 28 69.817 9.266 -0.302 1.00 0.00 H new ATOM 0 HB2 ALA A 28 68.845 8.091 0.615 1.00 0.00 H new ATOM 0 HB3 ALA A 28 68.618 9.835 0.883 1.00 0.00 H new ATOM 479 N MET A 29 70.476 11.357 2.421 1.00 0.00 N ATOM 480 CA MET A 29 71.181 12.648 2.607 1.00 0.00 C ATOM 481 C MET A 29 72.392 12.378 3.495 1.00 0.00 C ATOM 482 O MET A 29 73.407 13.042 3.415 1.00 0.00 O ATOM 483 CB MET A 29 70.175 13.581 3.289 1.00 0.00 C ATOM 484 CG MET A 29 70.074 13.242 4.779 1.00 0.00 C ATOM 485 SD MET A 29 71.359 14.134 5.690 1.00 0.00 S ATOM 486 CE MET A 29 70.724 15.804 5.404 1.00 0.00 C ATOM 0 H MET A 29 69.504 11.332 2.728 1.00 0.00 H new ATOM 0 HA MET A 29 71.530 13.100 1.678 1.00 0.00 H new ATOM 0 HB2 MET A 29 70.486 14.618 3.164 1.00 0.00 H new ATOM 0 HB3 MET A 29 69.197 13.482 2.818 1.00 0.00 H new ATOM 0 HG2 MET A 29 69.089 13.514 5.159 1.00 0.00 H new ATOM 0 HG3 MET A 29 70.187 12.168 4.927 1.00 0.00 H new ATOM 0 HE1 MET A 29 70.898 16.416 6.289 1.00 0.00 H new ATOM 0 HE2 MET A 29 71.237 16.247 4.550 1.00 0.00 H new ATOM 0 HE3 MET A 29 69.654 15.757 5.200 1.00 0.00 H new ATOM 496 N LYS A 30 72.288 11.371 4.323 1.00 0.00 N ATOM 497 CA LYS A 30 73.426 11.003 5.206 1.00 0.00 C ATOM 498 C LYS A 30 74.337 10.025 4.462 1.00 0.00 C ATOM 499 O LYS A 30 75.495 9.864 4.790 1.00 0.00 O ATOM 500 CB LYS A 30 72.792 10.336 6.427 1.00 0.00 C ATOM 501 CG LYS A 30 72.867 11.286 7.624 1.00 0.00 C ATOM 502 CD LYS A 30 71.615 11.119 8.488 1.00 0.00 C ATOM 503 CE LYS A 30 71.997 11.224 9.968 1.00 0.00 C ATOM 504 NZ LYS A 30 70.906 10.523 10.707 1.00 0.00 N ATOM 0 H LYS A 30 71.458 10.787 4.423 1.00 0.00 H new ATOM 0 HA LYS A 30 74.032 11.861 5.498 1.00 0.00 H new ATOM 0 HB2 LYS A 30 71.754 10.080 6.217 1.00 0.00 H new ATOM 0 HB3 LYS A 30 73.310 9.404 6.656 1.00 0.00 H new ATOM 0 HG2 LYS A 30 73.759 11.075 8.214 1.00 0.00 H new ATOM 0 HG3 LYS A 30 72.949 12.317 7.279 1.00 0.00 H new ATOM 0 HD2 LYS A 30 70.881 11.885 8.236 1.00 0.00 H new ATOM 0 HD3 LYS A 30 71.149 10.154 8.289 1.00 0.00 H new ATOM 0 HE2 LYS A 30 72.964 10.758 10.159 1.00 0.00 H new ATOM 0 HE3 LYS A 30 72.078 12.265 10.280 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 71.102 10.556 11.728 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 69.998 10.992 10.513 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 70.857 9.532 10.395 1.00 0.00 H new ATOM 518 N TYR A 31 73.820 9.379 3.446 1.00 0.00 N ATOM 519 CA TYR A 31 74.661 8.423 2.666 1.00 0.00 C ATOM 520 C TYR A 31 75.132 9.083 1.375 1.00 0.00 C ATOM 521 O TYR A 31 75.739 8.462 0.526 1.00 0.00 O ATOM 522 CB TYR A 31 73.769 7.221 2.370 1.00 0.00 C ATOM 523 CG TYR A 31 74.160 6.080 3.277 1.00 0.00 C ATOM 524 CD1 TYR A 31 74.678 6.346 4.551 1.00 0.00 C ATOM 525 CD2 TYR A 31 74.013 4.759 2.844 1.00 0.00 C ATOM 526 CE1 TYR A 31 75.049 5.291 5.391 1.00 0.00 C ATOM 527 CE2 TYR A 31 74.383 3.702 3.685 1.00 0.00 C ATOM 528 CZ TYR A 31 74.901 3.968 4.957 1.00 0.00 C ATOM 529 OH TYR A 31 75.267 2.925 5.785 1.00 0.00 O ATOM 0 H TYR A 31 72.856 9.472 3.125 1.00 0.00 H new ATOM 0 HA TYR A 31 75.552 8.120 3.216 1.00 0.00 H new ATOM 0 HB2 TYR A 31 72.722 7.483 2.525 1.00 0.00 H new ATOM 0 HB3 TYR A 31 73.872 6.924 1.326 1.00 0.00 H new ATOM 0 HD1 TYR A 31 74.791 7.367 4.885 1.00 0.00 H new ATOM 0 HD2 TYR A 31 73.614 4.554 1.862 1.00 0.00 H new ATOM 0 HE1 TYR A 31 75.449 5.497 6.373 1.00 0.00 H new ATOM 0 HE2 TYR A 31 74.268 2.681 3.351 1.00 0.00 H new ATOM 0 HH TYR A 31 75.099 2.073 5.331 1.00 0.00 H new ATOM 539 N HIS A 32 74.860 10.345 1.250 1.00 0.00 N ATOM 540 CA HIS A 32 75.286 11.129 0.060 1.00 0.00 C ATOM 541 C HIS A 32 76.812 11.011 -0.114 1.00 0.00 C ATOM 542 O HIS A 32 77.360 9.976 0.198 1.00 0.00 O ATOM 543 CB HIS A 32 74.789 12.519 0.439 1.00 0.00 C ATOM 544 CG HIS A 32 75.545 12.993 1.651 1.00 0.00 C ATOM 545 ND1 HIS A 32 76.009 12.327 2.761 1.00 0.00 N flip ATOM 546 CD2 HIS A 32 75.901 14.317 1.827 1.00 0.00 C flip ATOM 547 CE1 HIS A 32 76.644 13.227 3.613 1.00 0.00 C flip ATOM 548 NE2 HIS A 32 76.550 14.412 3.002 1.00 0.00 N flip ATOM 0 H HIS A 32 74.344 10.885 1.944 1.00 0.00 H new ATOM 0 HA HIS A 32 74.895 10.811 -0.907 1.00 0.00 H new ATOM 0 HB2 HIS A 32 74.935 13.211 -0.391 1.00 0.00 H new ATOM 0 HB3 HIS A 32 73.720 12.493 0.648 1.00 0.00 H new ATOM 0 HD2 HIS A 32 75.695 15.129 1.145 1.00 0.00 H new ATOM 0 HE1 HIS A 32 77.112 13.013 4.563 1.00 0.00 H new ATOM 0 HE2 HIS A 32 76.924 15.282 3.380 1.00 0.00 H new ATOM 556 N PRO A 33 77.487 12.015 -0.621 1.00 0.00 N ATOM 557 CA PRO A 33 78.947 11.864 -0.813 1.00 0.00 C ATOM 558 C PRO A 33 79.680 11.797 0.531 1.00 0.00 C ATOM 559 O PRO A 33 80.671 12.465 0.749 1.00 0.00 O ATOM 560 CB PRO A 33 79.338 13.088 -1.631 1.00 0.00 C ATOM 561 CG PRO A 33 78.274 14.092 -1.354 1.00 0.00 C ATOM 562 CD PRO A 33 77.017 13.340 -1.045 1.00 0.00 C ATOM 0 HA PRO A 33 79.217 10.937 -1.318 1.00 0.00 H new ATOM 0 HB2 PRO A 33 80.319 13.462 -1.338 1.00 0.00 H new ATOM 0 HB3 PRO A 33 79.391 12.852 -2.694 1.00 0.00 H new ATOM 0 HG2 PRO A 33 78.556 14.729 -0.515 1.00 0.00 H new ATOM 0 HG3 PRO A 33 78.129 14.745 -2.215 1.00 0.00 H new ATOM 0 HD2 PRO A 33 76.443 13.830 -0.259 1.00 0.00 H new ATOM 0 HD3 PRO A 33 76.368 13.272 -1.918 1.00 0.00 H new ATOM 570 N ASP A 34 79.216 10.951 1.416 1.00 0.00 N ATOM 571 CA ASP A 34 79.889 10.777 2.731 1.00 0.00 C ATOM 572 C ASP A 34 80.632 9.446 2.688 1.00 0.00 C ATOM 573 O ASP A 34 81.747 9.313 3.151 1.00 0.00 O ATOM 574 CB ASP A 34 78.761 10.732 3.766 1.00 0.00 C ATOM 575 CG ASP A 34 77.961 9.441 3.592 1.00 0.00 C ATOM 576 OD1 ASP A 34 77.428 9.239 2.514 1.00 0.00 O ATOM 577 OD2 ASP A 34 77.894 8.675 4.539 1.00 0.00 O ATOM 0 H ASP A 34 78.390 10.369 1.278 1.00 0.00 H new ATOM 0 HA ASP A 34 80.598 11.570 2.970 1.00 0.00 H new ATOM 0 HB2 ASP A 34 79.175 10.783 4.773 1.00 0.00 H new ATOM 0 HB3 ASP A 34 78.108 11.596 3.646 1.00 0.00 H new ATOM 582 N ARG A 35 80.003 8.464 2.103 1.00 0.00 N ATOM 583 CA ARG A 35 80.625 7.125 1.974 1.00 0.00 C ATOM 584 C ARG A 35 80.347 6.574 0.570 1.00 0.00 C ATOM 585 O ARG A 35 81.111 5.793 0.039 1.00 0.00 O ATOM 586 CB ARG A 35 79.940 6.266 3.037 1.00 0.00 C ATOM 587 CG ARG A 35 78.431 6.264 2.788 1.00 0.00 C ATOM 588 CD ARG A 35 78.110 5.296 1.651 1.00 0.00 C ATOM 589 NE ARG A 35 77.174 4.302 2.244 1.00 0.00 N ATOM 590 CZ ARG A 35 77.476 3.032 2.243 1.00 0.00 C ATOM 591 NH1 ARG A 35 78.690 2.650 2.528 1.00 0.00 N ATOM 592 NH2 ARG A 35 76.561 2.146 1.960 1.00 0.00 N ATOM 0 H ARG A 35 79.068 8.539 1.703 1.00 0.00 H new ATOM 0 HA ARG A 35 81.706 7.143 2.111 1.00 0.00 H new ATOM 0 HB2 ARG A 35 80.327 5.248 3.003 1.00 0.00 H new ATOM 0 HB3 ARG A 35 80.156 6.657 4.031 1.00 0.00 H new ATOM 0 HG2 ARG A 35 77.901 5.968 3.694 1.00 0.00 H new ATOM 0 HG3 ARG A 35 78.091 7.268 2.534 1.00 0.00 H new ATOM 0 HD2 ARG A 35 77.653 5.815 0.808 1.00 0.00 H new ATOM 0 HD3 ARG A 35 79.013 4.814 1.277 1.00 0.00 H new ATOM 0 HE ARG A 35 76.293 4.614 2.653 1.00 0.00 H new ATOM 0 HH11 ARG A 35 79.404 3.344 2.752 1.00 0.00 H new ATOM 0 HH12 ARG A 35 78.926 1.658 2.527 1.00 0.00 H new ATOM 0 HH21 ARG A 35 75.611 2.446 1.740 1.00 0.00 H new ATOM 0 HH22 ARG A 35 76.795 1.153 1.959 1.00 0.00 H new ATOM 606 N ASN A 36 79.253 6.976 -0.038 1.00 0.00 N ATOM 607 CA ASN A 36 78.930 6.475 -1.399 1.00 0.00 C ATOM 608 C ASN A 36 80.160 6.596 -2.291 1.00 0.00 C ATOM 609 O ASN A 36 80.310 5.885 -3.263 1.00 0.00 O ATOM 610 CB ASN A 36 77.810 7.386 -1.894 1.00 0.00 C ATOM 611 CG ASN A 36 76.507 6.590 -1.988 1.00 0.00 C ATOM 612 OD1 ASN A 36 76.161 6.090 -3.041 1.00 0.00 O ATOM 613 ND2 ASN A 36 75.764 6.449 -0.924 1.00 0.00 N ATOM 0 H ASN A 36 78.575 7.629 0.356 1.00 0.00 H new ATOM 0 HA ASN A 36 78.630 5.427 -1.406 1.00 0.00 H new ATOM 0 HB2 ASN A 36 77.685 8.229 -1.214 1.00 0.00 H new ATOM 0 HB3 ASN A 36 78.067 7.799 -2.869 1.00 0.00 H new ATOM 0 HD21 ASN A 36 74.894 5.920 -0.976 1.00 0.00 H new ATOM 0 HD22 ASN A 36 76.054 6.868 -0.040 1.00 0.00 H new ATOM 620 N GLN A 37 81.049 7.488 -1.955 1.00 0.00 N ATOM 621 CA GLN A 37 82.278 7.646 -2.774 1.00 0.00 C ATOM 622 C GLN A 37 82.983 6.295 -2.897 1.00 0.00 C ATOM 623 O GLN A 37 83.797 6.084 -3.774 1.00 0.00 O ATOM 624 CB GLN A 37 83.143 8.644 -2.005 1.00 0.00 C ATOM 625 CG GLN A 37 82.333 9.911 -1.726 1.00 0.00 C ATOM 626 CD GLN A 37 83.069 11.125 -2.298 1.00 0.00 C ATOM 627 OE1 GLN A 37 83.183 11.270 -3.498 1.00 0.00 O ATOM 628 NE2 GLN A 37 83.575 12.010 -1.483 1.00 0.00 N ATOM 0 H GLN A 37 80.977 8.112 -1.151 1.00 0.00 H new ATOM 0 HA GLN A 37 82.071 7.996 -3.785 1.00 0.00 H new ATOM 0 HB2 GLN A 37 83.481 8.202 -1.068 1.00 0.00 H new ATOM 0 HB3 GLN A 37 84.035 8.889 -2.582 1.00 0.00 H new ATOM 0 HG2 GLN A 37 81.343 9.828 -2.174 1.00 0.00 H new ATOM 0 HG3 GLN A 37 82.188 10.033 -0.653 1.00 0.00 H new ATOM 0 HE21 GLN A 37 83.479 11.888 -0.475 1.00 0.00 H new ATOM 0 HE22 GLN A 37 84.066 12.823 -1.854 1.00 0.00 H new ATOM 637 N GLY A 38 82.668 5.372 -2.025 1.00 0.00 N ATOM 638 CA GLY A 38 83.313 4.032 -2.098 1.00 0.00 C ATOM 639 C GLY A 38 82.799 3.297 -3.336 1.00 0.00 C ATOM 640 O GLY A 38 83.397 2.348 -3.800 1.00 0.00 O ATOM 0 H GLY A 38 81.994 5.490 -1.269 1.00 0.00 H new ATOM 0 HA2 GLY A 38 84.397 4.138 -2.147 1.00 0.00 H new ATOM 0 HA3 GLY A 38 83.089 3.457 -1.199 1.00 0.00 H new ATOM 644 N ASP A 39 81.692 3.734 -3.874 1.00 0.00 N ATOM 645 CA ASP A 39 81.136 3.066 -5.084 1.00 0.00 C ATOM 646 C ASP A 39 80.818 1.600 -4.781 1.00 0.00 C ATOM 647 O ASP A 39 80.582 0.808 -5.671 1.00 0.00 O ATOM 648 CB ASP A 39 82.240 3.169 -6.129 1.00 0.00 C ATOM 649 CG ASP A 39 81.750 4.010 -7.310 1.00 0.00 C ATOM 650 OD1 ASP A 39 81.769 5.225 -7.195 1.00 0.00 O ATOM 651 OD2 ASP A 39 81.365 3.426 -8.308 1.00 0.00 O ATOM 0 H ASP A 39 81.149 4.525 -3.527 1.00 0.00 H new ATOM 0 HA ASP A 39 80.208 3.527 -5.422 1.00 0.00 H new ATOM 0 HB2 ASP A 39 83.129 3.622 -5.690 1.00 0.00 H new ATOM 0 HB3 ASP A 39 82.525 2.174 -6.471 1.00 0.00 H new ATOM 656 N LYS A 40 80.806 1.240 -3.529 1.00 0.00 N ATOM 657 CA LYS A 40 80.495 -0.168 -3.150 1.00 0.00 C ATOM 658 C LYS A 40 79.056 -0.495 -3.506 1.00 0.00 C ATOM 659 O LYS A 40 78.256 -0.779 -2.638 1.00 0.00 O ATOM 660 CB LYS A 40 80.660 -0.202 -1.638 1.00 0.00 C ATOM 661 CG LYS A 40 82.086 -0.625 -1.282 1.00 0.00 C ATOM 662 CD LYS A 40 82.599 0.229 -0.121 1.00 0.00 C ATOM 663 CE LYS A 40 84.130 0.214 -0.111 1.00 0.00 C ATOM 664 NZ LYS A 40 84.501 -0.109 1.296 1.00 0.00 N ATOM 0 H LYS A 40 80.999 1.864 -2.746 1.00 0.00 H new ATOM 0 HA LYS A 40 81.136 -0.885 -3.663 1.00 0.00 H new ATOM 0 HB2 LYS A 40 80.447 0.781 -1.218 1.00 0.00 H new ATOM 0 HB3 LYS A 40 79.944 -0.898 -1.200 1.00 0.00 H new ATOM 0 HG2 LYS A 40 82.106 -1.680 -1.007 1.00 0.00 H new ATOM 0 HG3 LYS A 40 82.738 -0.509 -2.148 1.00 0.00 H new ATOM 0 HD2 LYS A 40 82.236 1.252 -0.220 1.00 0.00 H new ATOM 0 HD3 LYS A 40 82.215 -0.155 0.824 1.00 0.00 H new ATOM 0 HE2 LYS A 40 84.522 -0.530 -0.804 1.00 0.00 H new ATOM 0 HE3 LYS A 40 84.537 1.178 -0.415 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 85.537 -0.138 1.384 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 84.120 0.620 1.932 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 84.106 -1.035 1.555 1.00 0.00 H new ATOM 678 N GLU A 41 78.703 -0.415 -4.763 1.00 0.00 N ATOM 679 CA GLU A 41 77.299 -0.689 -5.160 1.00 0.00 C ATOM 680 C GLU A 41 76.367 -0.024 -4.156 1.00 0.00 C ATOM 681 O GLU A 41 75.221 -0.399 -4.002 1.00 0.00 O ATOM 682 CB GLU A 41 77.150 -2.209 -5.145 1.00 0.00 C ATOM 683 CG GLU A 41 76.942 -2.696 -3.715 1.00 0.00 C ATOM 684 CD GLU A 41 76.433 -4.138 -3.730 1.00 0.00 C ATOM 685 OE1 GLU A 41 75.921 -4.553 -4.757 1.00 0.00 O ATOM 686 OE2 GLU A 41 76.563 -4.802 -2.715 1.00 0.00 O ATOM 0 H GLU A 41 79.331 -0.171 -5.529 1.00 0.00 H new ATOM 0 HA GLU A 41 77.050 -0.295 -6.146 1.00 0.00 H new ATOM 0 HB2 GLU A 41 76.305 -2.506 -5.766 1.00 0.00 H new ATOM 0 HB3 GLU A 41 78.039 -2.674 -5.571 1.00 0.00 H new ATOM 0 HG2 GLU A 41 77.879 -2.637 -3.161 1.00 0.00 H new ATOM 0 HG3 GLU A 41 76.227 -2.053 -3.202 1.00 0.00 H new ATOM 693 N ALA A 42 76.848 0.995 -3.498 1.00 0.00 N ATOM 694 CA ALA A 42 75.996 1.724 -2.535 1.00 0.00 C ATOM 695 C ALA A 42 74.838 2.328 -3.314 1.00 0.00 C ATOM 696 O ALA A 42 73.906 2.876 -2.759 1.00 0.00 O ATOM 697 CB ALA A 42 76.904 2.817 -1.964 1.00 0.00 C ATOM 0 H ALA A 42 77.799 1.351 -3.591 1.00 0.00 H new ATOM 0 HA ALA A 42 75.586 1.102 -1.739 1.00 0.00 H new ATOM 0 HB1 ALA A 42 76.348 3.409 -1.237 1.00 0.00 H new ATOM 0 HB2 ALA A 42 77.764 2.358 -1.477 1.00 0.00 H new ATOM 0 HB3 ALA A 42 77.247 3.464 -2.772 1.00 0.00 H new ATOM 703 N GLU A 43 74.898 2.216 -4.614 1.00 0.00 N ATOM 704 CA GLU A 43 73.803 2.769 -5.460 1.00 0.00 C ATOM 705 C GLU A 43 72.585 1.875 -5.388 1.00 0.00 C ATOM 706 O GLU A 43 71.460 2.331 -5.334 1.00 0.00 O ATOM 707 CB GLU A 43 74.317 2.732 -6.890 1.00 0.00 C ATOM 708 CG GLU A 43 73.434 3.627 -7.761 1.00 0.00 C ATOM 709 CD GLU A 43 74.146 4.957 -8.018 1.00 0.00 C ATOM 710 OE1 GLU A 43 75.181 5.179 -7.410 1.00 0.00 O ATOM 711 OE2 GLU A 43 73.644 5.731 -8.817 1.00 0.00 O ATOM 0 H GLU A 43 75.657 1.766 -5.125 1.00 0.00 H new ATOM 0 HA GLU A 43 73.531 3.771 -5.129 1.00 0.00 H new ATOM 0 HB2 GLU A 43 75.351 3.074 -6.927 1.00 0.00 H new ATOM 0 HB3 GLU A 43 74.305 1.710 -7.268 1.00 0.00 H new ATOM 0 HG2 GLU A 43 73.217 3.131 -8.707 1.00 0.00 H new ATOM 0 HG3 GLU A 43 72.479 3.804 -7.267 1.00 0.00 H new ATOM 718 N ALA A 44 72.798 0.598 -5.437 1.00 0.00 N ATOM 719 CA ALA A 44 71.644 -0.315 -5.422 1.00 0.00 C ATOM 720 C ALA A 44 70.844 -0.132 -4.141 1.00 0.00 C ATOM 721 O ALA A 44 69.695 0.262 -4.179 1.00 0.00 O ATOM 722 CB ALA A 44 72.225 -1.725 -5.522 1.00 0.00 C ATOM 0 H ALA A 44 73.715 0.153 -5.486 1.00 0.00 H new ATOM 0 HA ALA A 44 70.958 -0.119 -6.246 1.00 0.00 H new ATOM 0 HB1 ALA A 44 71.414 -2.454 -5.516 1.00 0.00 H new ATOM 0 HB2 ALA A 44 72.792 -1.820 -6.448 1.00 0.00 H new ATOM 0 HB3 ALA A 44 72.884 -1.908 -4.673 1.00 0.00 H new ATOM 728 N LYS A 45 71.427 -0.392 -3.004 1.00 0.00 N ATOM 729 CA LYS A 45 70.651 -0.193 -1.754 1.00 0.00 C ATOM 730 C LYS A 45 69.999 1.183 -1.816 1.00 0.00 C ATOM 731 O LYS A 45 68.970 1.428 -1.223 1.00 0.00 O ATOM 732 CB LYS A 45 71.651 -0.251 -0.604 1.00 0.00 C ATOM 733 CG LYS A 45 70.952 0.239 0.667 1.00 0.00 C ATOM 734 CD LYS A 45 71.915 0.153 1.853 1.00 0.00 C ATOM 735 CE LYS A 45 71.589 1.261 2.859 1.00 0.00 C ATOM 736 NZ LYS A 45 71.906 0.687 4.199 1.00 0.00 N ATOM 0 H LYS A 45 72.384 -0.726 -2.888 1.00 0.00 H new ATOM 0 HA LYS A 45 69.876 -0.948 -1.621 1.00 0.00 H new ATOM 0 HB2 LYS A 45 72.015 -1.269 -0.468 1.00 0.00 H new ATOM 0 HB3 LYS A 45 72.519 0.371 -0.824 1.00 0.00 H new ATOM 0 HG2 LYS A 45 70.615 1.267 0.534 1.00 0.00 H new ATOM 0 HG3 LYS A 45 70.066 -0.365 0.862 1.00 0.00 H new ATOM 0 HD2 LYS A 45 71.833 -0.823 2.332 1.00 0.00 H new ATOM 0 HD3 LYS A 45 72.944 0.253 1.507 1.00 0.00 H new ATOM 0 HE2 LYS A 45 72.182 2.155 2.664 1.00 0.00 H new ATOM 0 HE3 LYS A 45 70.541 1.553 2.795 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 71.706 1.393 4.935 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 71.322 -0.158 4.362 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 72.912 0.425 4.235 1.00 0.00 H new ATOM 750 N PHE A 46 70.599 2.080 -2.553 1.00 0.00 N ATOM 751 CA PHE A 46 70.030 3.445 -2.686 1.00 0.00 C ATOM 752 C PHE A 46 68.689 3.388 -3.405 1.00 0.00 C ATOM 753 O PHE A 46 67.698 3.895 -2.920 1.00 0.00 O ATOM 754 CB PHE A 46 71.046 4.227 -3.516 1.00 0.00 C ATOM 755 CG PHE A 46 71.517 5.422 -2.731 1.00 0.00 C ATOM 756 CD1 PHE A 46 71.762 5.302 -1.363 1.00 0.00 C ATOM 757 CD2 PHE A 46 71.705 6.650 -3.376 1.00 0.00 C ATOM 758 CE1 PHE A 46 72.197 6.413 -0.630 1.00 0.00 C ATOM 759 CE2 PHE A 46 72.140 7.763 -2.647 1.00 0.00 C ATOM 760 CZ PHE A 46 72.387 7.645 -1.273 1.00 0.00 C ATOM 0 H PHE A 46 71.464 1.921 -3.070 1.00 0.00 H new ATOM 0 HA PHE A 46 69.854 3.911 -1.716 1.00 0.00 H new ATOM 0 HB2 PHE A 46 71.892 3.589 -3.771 1.00 0.00 H new ATOM 0 HB3 PHE A 46 70.595 4.549 -4.455 1.00 0.00 H new ATOM 0 HD1 PHE A 46 71.616 4.353 -0.869 1.00 0.00 H new ATOM 0 HD2 PHE A 46 71.515 6.739 -4.435 1.00 0.00 H new ATOM 0 HE1 PHE A 46 72.386 6.321 0.429 1.00 0.00 H new ATOM 0 HE2 PHE A 46 72.285 8.711 -3.143 1.00 0.00 H new ATOM 0 HZ PHE A 46 72.724 8.502 -0.709 1.00 0.00 H new ATOM 770 N LYS A 47 68.628 2.770 -4.551 1.00 0.00 N ATOM 771 CA LYS A 47 67.318 2.705 -5.247 1.00 0.00 C ATOM 772 C LYS A 47 66.529 1.526 -4.690 1.00 0.00 C ATOM 773 O LYS A 47 65.314 1.512 -4.709 1.00 0.00 O ATOM 774 CB LYS A 47 67.652 2.557 -6.741 1.00 0.00 C ATOM 775 CG LYS A 47 67.563 1.093 -7.179 1.00 0.00 C ATOM 776 CD LYS A 47 68.728 0.306 -6.582 1.00 0.00 C ATOM 777 CE LYS A 47 69.286 -0.647 -7.645 1.00 0.00 C ATOM 778 NZ LYS A 47 70.013 0.229 -8.605 1.00 0.00 N ATOM 0 H LYS A 47 69.409 2.318 -5.025 1.00 0.00 H new ATOM 0 HA LYS A 47 66.696 3.588 -5.100 1.00 0.00 H new ATOM 0 HB2 LYS A 47 66.964 3.160 -7.333 1.00 0.00 H new ATOM 0 HB3 LYS A 47 68.655 2.938 -6.933 1.00 0.00 H new ATOM 0 HG2 LYS A 47 66.616 0.663 -6.853 1.00 0.00 H new ATOM 0 HG3 LYS A 47 67.586 1.027 -8.267 1.00 0.00 H new ATOM 0 HD2 LYS A 47 69.507 0.988 -6.242 1.00 0.00 H new ATOM 0 HD3 LYS A 47 68.394 -0.257 -5.710 1.00 0.00 H new ATOM 0 HE2 LYS A 47 69.954 -1.386 -7.201 1.00 0.00 H new ATOM 0 HE3 LYS A 47 68.486 -1.197 -8.141 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 69.603 0.119 -9.554 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 69.927 1.221 -8.304 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 71.017 -0.040 -8.628 1.00 0.00 H new ATOM 792 N GLU A 48 67.212 0.558 -4.145 1.00 0.00 N ATOM 793 CA GLU A 48 66.498 -0.589 -3.533 1.00 0.00 C ATOM 794 C GLU A 48 65.441 0.003 -2.626 1.00 0.00 C ATOM 795 O GLU A 48 64.358 -0.520 -2.450 1.00 0.00 O ATOM 796 CB GLU A 48 67.554 -1.311 -2.707 1.00 0.00 C ATOM 797 CG GLU A 48 68.281 -2.334 -3.575 1.00 0.00 C ATOM 798 CD GLU A 48 67.264 -3.308 -4.174 1.00 0.00 C ATOM 799 OE1 GLU A 48 66.964 -4.294 -3.523 1.00 0.00 O ATOM 800 OE2 GLU A 48 66.801 -3.048 -5.273 1.00 0.00 O ATOM 0 H GLU A 48 68.230 0.514 -4.099 1.00 0.00 H new ATOM 0 HA GLU A 48 66.031 -1.266 -4.248 1.00 0.00 H new ATOM 0 HB2 GLU A 48 68.267 -0.592 -2.303 1.00 0.00 H new ATOM 0 HB3 GLU A 48 67.086 -1.809 -1.857 1.00 0.00 H new ATOM 0 HG2 GLU A 48 68.829 -1.828 -4.370 1.00 0.00 H new ATOM 0 HG3 GLU A 48 69.014 -2.878 -2.979 1.00 0.00 H new ATOM 807 N ILE A 49 65.772 1.132 -2.078 1.00 0.00 N ATOM 808 CA ILE A 49 64.828 1.855 -1.193 1.00 0.00 C ATOM 809 C ILE A 49 63.787 2.547 -2.062 1.00 0.00 C ATOM 810 O ILE A 49 62.598 2.457 -1.833 1.00 0.00 O ATOM 811 CB ILE A 49 65.677 2.899 -0.496 1.00 0.00 C ATOM 812 CG1 ILE A 49 66.814 2.221 0.264 1.00 0.00 C ATOM 813 CG2 ILE A 49 64.816 3.696 0.470 1.00 0.00 C ATOM 814 CD1 ILE A 49 68.002 3.180 0.368 1.00 0.00 C ATOM 0 H ILE A 49 66.673 1.592 -2.208 1.00 0.00 H new ATOM 0 HA ILE A 49 64.316 1.201 -0.487 1.00 0.00 H new ATOM 0 HB ILE A 49 66.100 3.573 -1.241 1.00 0.00 H new ATOM 0 HG12 ILE A 49 66.478 1.932 1.260 1.00 0.00 H new ATOM 0 HG13 ILE A 49 67.114 1.307 -0.249 1.00 0.00 H new ATOM 0 HG21 ILE A 49 65.429 4.446 0.970 1.00 0.00 H new ATOM 0 HG22 ILE A 49 64.014 4.190 -0.079 1.00 0.00 H new ATOM 0 HG23 ILE A 49 64.386 3.025 1.213 1.00 0.00 H new ATOM 0 HD11 ILE A 49 68.814 2.696 0.911 1.00 0.00 H new ATOM 0 HD12 ILE A 49 68.343 3.447 -0.632 1.00 0.00 H new ATOM 0 HD13 ILE A 49 67.697 4.081 0.900 1.00 0.00 H new ATOM 826 N LYS A 50 64.244 3.227 -3.079 1.00 0.00 N ATOM 827 CA LYS A 50 63.301 3.922 -3.998 1.00 0.00 C ATOM 828 C LYS A 50 62.466 2.887 -4.748 1.00 0.00 C ATOM 829 O LYS A 50 61.537 3.214 -5.460 1.00 0.00 O ATOM 830 CB LYS A 50 64.183 4.711 -4.962 1.00 0.00 C ATOM 831 CG LYS A 50 63.312 5.658 -5.788 1.00 0.00 C ATOM 832 CD LYS A 50 63.520 5.372 -7.276 1.00 0.00 C ATOM 833 CE LYS A 50 62.198 4.920 -7.900 1.00 0.00 C ATOM 834 NZ LYS A 50 61.597 6.161 -8.462 1.00 0.00 N ATOM 0 H LYS A 50 65.232 3.331 -3.312 1.00 0.00 H new ATOM 0 HA LYS A 50 62.608 4.577 -3.470 1.00 0.00 H new ATOM 0 HB2 LYS A 50 64.931 5.278 -4.407 1.00 0.00 H new ATOM 0 HB3 LYS A 50 64.723 4.029 -5.619 1.00 0.00 H new ATOM 0 HG2 LYS A 50 62.262 5.527 -5.525 1.00 0.00 H new ATOM 0 HG3 LYS A 50 63.570 6.694 -5.566 1.00 0.00 H new ATOM 0 HD2 LYS A 50 63.886 6.266 -7.781 1.00 0.00 H new ATOM 0 HD3 LYS A 50 64.278 4.600 -7.406 1.00 0.00 H new ATOM 0 HE2 LYS A 50 62.362 4.173 -8.677 1.00 0.00 H new ATOM 0 HE3 LYS A 50 61.544 4.466 -7.155 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 60.686 5.934 -8.908 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 61.446 6.850 -7.698 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 62.239 6.567 -9.173 1.00 0.00 H new ATOM 848 N GLU A 51 62.782 1.635 -4.578 1.00 0.00 N ATOM 849 CA GLU A 51 62.004 0.568 -5.246 1.00 0.00 C ATOM 850 C GLU A 51 60.870 0.143 -4.320 1.00 0.00 C ATOM 851 O GLU A 51 59.766 -0.089 -4.749 1.00 0.00 O ATOM 852 CB GLU A 51 62.994 -0.570 -5.427 1.00 0.00 C ATOM 853 CG GLU A 51 62.267 -1.799 -5.980 1.00 0.00 C ATOM 854 CD GLU A 51 63.290 -2.812 -6.500 1.00 0.00 C ATOM 855 OE1 GLU A 51 64.372 -2.873 -5.939 1.00 0.00 O ATOM 856 OE2 GLU A 51 62.973 -3.509 -7.450 1.00 0.00 O ATOM 0 H GLU A 51 63.554 1.307 -3.998 1.00 0.00 H new ATOM 0 HA GLU A 51 61.566 0.878 -6.195 1.00 0.00 H new ATOM 0 HB2 GLU A 51 63.790 -0.268 -6.108 1.00 0.00 H new ATOM 0 HB3 GLU A 51 63.465 -0.811 -4.474 1.00 0.00 H new ATOM 0 HG2 GLU A 51 61.655 -2.253 -5.201 1.00 0.00 H new ATOM 0 HG3 GLU A 51 61.592 -1.504 -6.784 1.00 0.00 H new ATOM 863 N ALA A 52 61.149 0.065 -3.043 1.00 0.00 N ATOM 864 CA ALA A 52 60.108 -0.326 -2.043 1.00 0.00 C ATOM 865 C ALA A 52 58.742 0.242 -2.439 1.00 0.00 C ATOM 866 O ALA A 52 57.711 -0.321 -2.130 1.00 0.00 O ATOM 867 CB ALA A 52 60.598 0.301 -0.737 1.00 0.00 C ATOM 0 H ALA A 52 62.068 0.259 -2.645 1.00 0.00 H new ATOM 0 HA ALA A 52 59.979 -1.406 -1.967 1.00 0.00 H new ATOM 0 HB1 ALA A 52 59.896 0.069 0.064 1.00 0.00 H new ATOM 0 HB2 ALA A 52 61.580 -0.101 -0.487 1.00 0.00 H new ATOM 0 HB3 ALA A 52 60.668 1.382 -0.856 1.00 0.00 H new ATOM 873 N TYR A 53 58.724 1.349 -3.131 1.00 0.00 N ATOM 874 CA TYR A 53 57.421 1.939 -3.556 1.00 0.00 C ATOM 875 C TYR A 53 56.677 0.951 -4.440 1.00 0.00 C ATOM 876 O TYR A 53 55.468 0.945 -4.506 1.00 0.00 O ATOM 877 CB TYR A 53 57.799 3.205 -4.305 1.00 0.00 C ATOM 878 CG TYR A 53 58.475 4.093 -3.310 1.00 0.00 C ATOM 879 CD1 TYR A 53 57.716 4.952 -2.521 1.00 0.00 C ATOM 880 CD2 TYR A 53 59.854 4.015 -3.133 1.00 0.00 C ATOM 881 CE1 TYR A 53 58.339 5.742 -1.561 1.00 0.00 C ATOM 882 CE2 TYR A 53 60.482 4.795 -2.172 1.00 0.00 C ATOM 883 CZ TYR A 53 59.725 5.664 -1.381 1.00 0.00 C ATOM 884 OH TYR A 53 60.341 6.439 -0.428 1.00 0.00 O ATOM 0 H TYR A 53 59.552 1.869 -3.420 1.00 0.00 H new ATOM 0 HA TYR A 53 56.754 2.162 -2.723 1.00 0.00 H new ATOM 0 HB2 TYR A 53 58.463 2.980 -5.140 1.00 0.00 H new ATOM 0 HB3 TYR A 53 56.916 3.689 -4.722 1.00 0.00 H new ATOM 0 HD1 TYR A 53 56.646 5.005 -2.654 1.00 0.00 H new ATOM 0 HD2 TYR A 53 60.438 3.344 -3.746 1.00 0.00 H new ATOM 0 HE1 TYR A 53 57.753 6.416 -0.954 1.00 0.00 H new ATOM 0 HE2 TYR A 53 61.551 4.731 -2.036 1.00 0.00 H new ATOM 0 HH TYR A 53 61.302 6.249 -0.424 1.00 0.00 H new ATOM 894 N GLU A 54 57.392 0.074 -5.077 1.00 0.00 N ATOM 895 CA GLU A 54 56.717 -0.952 -5.903 1.00 0.00 C ATOM 896 C GLU A 54 55.743 -1.714 -5.009 1.00 0.00 C ATOM 897 O GLU A 54 54.853 -2.396 -5.474 1.00 0.00 O ATOM 898 CB GLU A 54 57.839 -1.875 -6.369 1.00 0.00 C ATOM 899 CG GLU A 54 58.660 -2.303 -5.151 1.00 0.00 C ATOM 900 CD GLU A 54 58.477 -3.803 -4.909 1.00 0.00 C ATOM 901 OE1 GLU A 54 57.376 -4.197 -4.562 1.00 0.00 O ATOM 902 OE2 GLU A 54 59.442 -4.532 -5.074 1.00 0.00 O ATOM 0 H GLU A 54 58.411 0.024 -5.061 1.00 0.00 H new ATOM 0 HA GLU A 54 56.162 -0.539 -6.745 1.00 0.00 H new ATOM 0 HB2 GLU A 54 57.425 -2.749 -6.872 1.00 0.00 H new ATOM 0 HB3 GLU A 54 58.474 -1.363 -7.092 1.00 0.00 H new ATOM 0 HG2 GLU A 54 59.714 -2.077 -5.313 1.00 0.00 H new ATOM 0 HG3 GLU A 54 58.344 -1.741 -4.272 1.00 0.00 H new ATOM 909 N VAL A 55 55.914 -1.598 -3.712 1.00 0.00 N ATOM 910 CA VAL A 55 55.005 -2.311 -2.783 1.00 0.00 C ATOM 911 C VAL A 55 54.414 -1.358 -1.730 1.00 0.00 C ATOM 912 O VAL A 55 53.228 -1.096 -1.715 1.00 0.00 O ATOM 913 CB VAL A 55 55.844 -3.433 -2.119 1.00 0.00 C ATOM 914 CG1 VAL A 55 57.280 -2.998 -1.864 1.00 0.00 C ATOM 915 CG2 VAL A 55 55.232 -3.839 -0.772 1.00 0.00 C ATOM 0 H VAL A 55 56.643 -1.041 -3.267 1.00 0.00 H new ATOM 0 HA VAL A 55 54.153 -2.728 -3.321 1.00 0.00 H new ATOM 0 HB VAL A 55 55.840 -4.272 -2.814 1.00 0.00 H new ATOM 0 HG11 VAL A 55 57.830 -3.815 -1.398 1.00 0.00 H new ATOM 0 HG12 VAL A 55 57.754 -2.734 -2.810 1.00 0.00 H new ATOM 0 HG13 VAL A 55 57.286 -2.132 -1.201 1.00 0.00 H new ATOM 0 HG21 VAL A 55 55.835 -4.627 -0.321 1.00 0.00 H new ATOM 0 HG22 VAL A 55 55.209 -2.975 -0.108 1.00 0.00 H new ATOM 0 HG23 VAL A 55 54.217 -4.203 -0.929 1.00 0.00 H new ATOM 925 N LEU A 56 55.218 -0.884 -0.825 1.00 0.00 N ATOM 926 CA LEU A 56 54.695 -0.002 0.258 1.00 0.00 C ATOM 927 C LEU A 56 53.621 0.973 -0.239 1.00 0.00 C ATOM 928 O LEU A 56 52.747 1.362 0.511 1.00 0.00 O ATOM 929 CB LEU A 56 55.913 0.747 0.776 1.00 0.00 C ATOM 930 CG LEU A 56 56.287 1.840 -0.212 1.00 0.00 C ATOM 931 CD1 LEU A 56 55.651 3.155 0.235 1.00 0.00 C ATOM 932 CD2 LEU A 56 57.808 1.974 -0.248 1.00 0.00 C ATOM 0 H LEU A 56 56.220 -1.068 -0.786 1.00 0.00 H new ATOM 0 HA LEU A 56 54.202 -0.589 1.033 1.00 0.00 H new ATOM 0 HB2 LEU A 56 55.699 1.181 1.753 1.00 0.00 H new ATOM 0 HB3 LEU A 56 56.748 0.059 0.909 1.00 0.00 H new ATOM 0 HG LEU A 56 55.925 1.591 -1.210 1.00 0.00 H new ATOM 0 HD11 LEU A 56 55.915 3.944 -0.469 1.00 0.00 H new ATOM 0 HD12 LEU A 56 54.567 3.043 0.265 1.00 0.00 H new ATOM 0 HD13 LEU A 56 56.017 3.417 1.228 1.00 0.00 H new ATOM 0 HD21 LEU A 56 58.088 2.756 -0.954 1.00 0.00 H new ATOM 0 HD22 LEU A 56 58.174 2.234 0.745 1.00 0.00 H new ATOM 0 HD23 LEU A 56 58.249 1.028 -0.561 1.00 0.00 H new ATOM 944 N THR A 57 53.660 1.380 -1.474 1.00 0.00 N ATOM 945 CA THR A 57 52.616 2.332 -1.951 1.00 0.00 C ATOM 946 C THR A 57 51.413 1.561 -2.509 1.00 0.00 C ATOM 947 O THR A 57 50.767 1.990 -3.445 1.00 0.00 O ATOM 948 CB THR A 57 53.293 3.169 -3.040 1.00 0.00 C ATOM 949 OG1 THR A 57 53.673 2.328 -4.120 1.00 0.00 O ATOM 950 CG2 THR A 57 54.531 3.863 -2.458 1.00 0.00 C ATOM 0 H THR A 57 54.356 1.102 -2.166 1.00 0.00 H new ATOM 0 HA THR A 57 52.236 2.964 -1.148 1.00 0.00 H new ATOM 0 HB THR A 57 52.597 3.925 -3.404 1.00 0.00 H new ATOM 0 HG1 THR A 57 54.621 2.093 -4.034 1.00 0.00 H new ATOM 0 HG21 THR A 57 55.013 4.459 -3.234 1.00 0.00 H new ATOM 0 HG22 THR A 57 54.231 4.512 -1.635 1.00 0.00 H new ATOM 0 HG23 THR A 57 55.230 3.112 -2.091 1.00 0.00 H new ATOM 958 N ASP A 58 51.103 0.428 -1.931 1.00 0.00 N ATOM 959 CA ASP A 58 49.940 -0.372 -2.411 1.00 0.00 C ATOM 960 C ASP A 58 49.359 -1.182 -1.274 1.00 0.00 C ATOM 961 O ASP A 58 50.035 -1.954 -0.626 1.00 0.00 O ATOM 962 CB ASP A 58 50.495 -1.285 -3.498 1.00 0.00 C ATOM 963 CG ASP A 58 49.791 -0.996 -4.827 1.00 0.00 C ATOM 964 OD1 ASP A 58 48.882 -0.182 -4.830 1.00 0.00 O ATOM 965 OD2 ASP A 58 50.174 -1.594 -5.818 1.00 0.00 O ATOM 0 H ASP A 58 51.609 0.023 -1.144 1.00 0.00 H new ATOM 0 HA ASP A 58 49.137 0.260 -2.792 1.00 0.00 H new ATOM 0 HB2 ASP A 58 51.569 -1.129 -3.603 1.00 0.00 H new ATOM 0 HB3 ASP A 58 50.350 -2.329 -3.218 1.00 0.00 H new ATOM 970 N SER A 59 48.104 -0.996 -1.023 1.00 0.00 N ATOM 971 CA SER A 59 47.463 -1.737 0.079 1.00 0.00 C ATOM 972 C SER A 59 47.750 -3.234 -0.057 1.00 0.00 C ATOM 973 O SER A 59 48.136 -3.890 0.890 1.00 0.00 O ATOM 974 CB SER A 59 45.967 -1.450 -0.049 1.00 0.00 C ATOM 975 OG SER A 59 45.679 -0.189 0.541 1.00 0.00 O ATOM 0 H SER A 59 47.493 -0.360 -1.536 1.00 0.00 H new ATOM 0 HA SER A 59 47.841 -1.432 1.055 1.00 0.00 H new ATOM 0 HB2 SER A 59 45.674 -1.449 -1.099 1.00 0.00 H new ATOM 0 HB3 SER A 59 45.391 -2.234 0.442 1.00 0.00 H new ATOM 0 HG SER A 59 44.721 -0.001 0.459 1.00 0.00 H new ATOM 981 N GLN A 60 47.578 -3.777 -1.231 1.00 0.00 N ATOM 982 CA GLN A 60 47.859 -5.229 -1.423 1.00 0.00 C ATOM 983 C GLN A 60 49.351 -5.480 -1.200 1.00 0.00 C ATOM 984 O GLN A 60 49.760 -6.521 -0.727 1.00 0.00 O ATOM 985 CB GLN A 60 47.472 -5.520 -2.874 1.00 0.00 C ATOM 986 CG GLN A 60 47.550 -7.025 -3.137 1.00 0.00 C ATOM 987 CD GLN A 60 47.507 -7.281 -4.645 1.00 0.00 C ATOM 988 OE1 GLN A 60 46.468 -7.169 -5.263 1.00 0.00 O ATOM 989 NE2 GLN A 60 48.602 -7.622 -5.268 1.00 0.00 N ATOM 0 H GLN A 60 47.257 -3.281 -2.062 1.00 0.00 H new ATOM 0 HA GLN A 60 47.310 -5.866 -0.730 1.00 0.00 H new ATOM 0 HB2 GLN A 60 46.463 -5.159 -3.071 1.00 0.00 H new ATOM 0 HB3 GLN A 60 48.139 -4.988 -3.552 1.00 0.00 H new ATOM 0 HG2 GLN A 60 48.468 -7.432 -2.714 1.00 0.00 H new ATOM 0 HG3 GLN A 60 46.720 -7.534 -2.647 1.00 0.00 H new ATOM 0 HE21 GLN A 60 49.475 -7.716 -4.750 1.00 0.00 H new ATOM 0 HE22 GLN A 60 48.584 -7.794 -6.273 1.00 0.00 H new ATOM 998 N LYS A 61 50.157 -4.513 -1.532 1.00 0.00 N ATOM 999 CA LYS A 61 51.631 -4.641 -1.346 1.00 0.00 C ATOM 1000 C LYS A 61 51.985 -4.573 0.134 1.00 0.00 C ATOM 1001 O LYS A 61 52.430 -5.540 0.719 1.00 0.00 O ATOM 1002 CB LYS A 61 52.194 -3.442 -2.087 1.00 0.00 C ATOM 1003 CG LYS A 61 52.222 -3.708 -3.604 1.00 0.00 C ATOM 1004 CD LYS A 61 51.029 -4.571 -4.042 1.00 0.00 C ATOM 1005 CE LYS A 61 51.249 -5.042 -5.481 1.00 0.00 C ATOM 1006 NZ LYS A 61 51.275 -3.794 -6.293 1.00 0.00 N ATOM 0 H LYS A 61 49.854 -3.625 -1.931 1.00 0.00 H new ATOM 0 HA LYS A 61 52.027 -5.587 -1.715 1.00 0.00 H new ATOM 0 HB2 LYS A 61 51.588 -2.561 -1.878 1.00 0.00 H new ATOM 0 HB3 LYS A 61 53.202 -3.228 -1.731 1.00 0.00 H new ATOM 0 HG2 LYS A 61 52.205 -2.760 -4.142 1.00 0.00 H new ATOM 0 HG3 LYS A 61 53.153 -4.209 -3.870 1.00 0.00 H new ATOM 0 HD2 LYS A 61 50.923 -5.429 -3.378 1.00 0.00 H new ATOM 0 HD3 LYS A 61 50.105 -3.997 -3.972 1.00 0.00 H new ATOM 0 HE2 LYS A 61 52.183 -5.595 -5.577 1.00 0.00 H new ATOM 0 HE3 LYS A 61 50.449 -5.708 -5.805 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 50.751 -3.945 -7.179 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 50.832 -3.021 -5.756 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 52.260 -3.543 -6.512 1.00 0.00 H new ATOM 1020 N ARG A 62 51.786 -3.447 0.754 1.00 0.00 N ATOM 1021 CA ARG A 62 52.112 -3.348 2.198 1.00 0.00 C ATOM 1022 C ARG A 62 51.480 -4.521 2.934 1.00 0.00 C ATOM 1023 O ARG A 62 51.946 -4.944 3.972 1.00 0.00 O ATOM 1024 CB ARG A 62 51.502 -2.023 2.658 1.00 0.00 C ATOM 1025 CG ARG A 62 49.989 -2.061 2.450 1.00 0.00 C ATOM 1026 CD ARG A 62 49.314 -1.085 3.415 1.00 0.00 C ATOM 1027 NE ARG A 62 48.229 -1.873 4.062 1.00 0.00 N ATOM 1028 CZ ARG A 62 48.039 -1.789 5.350 1.00 0.00 C ATOM 1029 NH1 ARG A 62 48.836 -2.418 6.170 1.00 0.00 N ATOM 1030 NH2 ARG A 62 47.054 -1.071 5.819 1.00 0.00 N ATOM 0 H ARG A 62 51.415 -2.598 0.327 1.00 0.00 H new ATOM 0 HA ARG A 62 53.184 -3.378 2.394 1.00 0.00 H new ATOM 0 HB2 ARG A 62 51.731 -1.850 3.710 1.00 0.00 H new ATOM 0 HB3 ARG A 62 51.937 -1.196 2.097 1.00 0.00 H new ATOM 0 HG2 ARG A 62 49.746 -1.797 1.421 1.00 0.00 H new ATOM 0 HG3 ARG A 62 49.614 -3.071 2.617 1.00 0.00 H new ATOM 0 HD2 ARG A 62 50.021 -0.707 4.153 1.00 0.00 H new ATOM 0 HD3 ARG A 62 48.913 -0.221 2.886 1.00 0.00 H new ATOM 0 HE ARG A 62 47.634 -2.479 3.498 1.00 0.00 H new ATOM 0 HH11 ARG A 62 49.608 -2.975 5.804 1.00 0.00 H new ATOM 0 HH12 ARG A 62 48.687 -2.352 7.177 1.00 0.00 H new ATOM 0 HH21 ARG A 62 46.433 -0.576 5.178 1.00 0.00 H new ATOM 0 HH22 ARG A 62 46.905 -1.005 6.826 1.00 0.00 H new ATOM 1044 N ALA A 63 50.431 -5.056 2.385 1.00 0.00 N ATOM 1045 CA ALA A 63 49.763 -6.225 3.017 1.00 0.00 C ATOM 1046 C ALA A 63 50.392 -7.500 2.470 1.00 0.00 C ATOM 1047 O ALA A 63 50.351 -8.549 3.082 1.00 0.00 O ATOM 1048 CB ALA A 63 48.295 -6.124 2.607 1.00 0.00 C ATOM 0 H ALA A 63 50.003 -4.732 1.518 1.00 0.00 H new ATOM 0 HA ALA A 63 49.865 -6.241 4.102 1.00 0.00 H new ATOM 0 HB1 ALA A 63 47.739 -6.956 3.038 1.00 0.00 H new ATOM 0 HB2 ALA A 63 47.880 -5.184 2.969 1.00 0.00 H new ATOM 0 HB3 ALA A 63 48.217 -6.160 1.520 1.00 0.00 H new ATOM 1054 N ALA A 64 50.978 -7.404 1.310 1.00 0.00 N ATOM 1055 CA ALA A 64 51.623 -8.592 0.691 1.00 0.00 C ATOM 1056 C ALA A 64 53.069 -8.698 1.162 1.00 0.00 C ATOM 1057 O ALA A 64 53.497 -9.719 1.664 1.00 0.00 O ATOM 1058 CB ALA A 64 51.565 -8.340 -0.816 1.00 0.00 C ATOM 0 H ALA A 64 51.038 -6.546 0.761 1.00 0.00 H new ATOM 0 HA ALA A 64 51.126 -9.524 0.962 1.00 0.00 H new ATOM 0 HB1 ALA A 64 52.024 -9.177 -1.343 1.00 0.00 H new ATOM 0 HB2 ALA A 64 50.526 -8.240 -1.129 1.00 0.00 H new ATOM 0 HB3 ALA A 64 52.104 -7.423 -1.053 1.00 0.00 H new ATOM 1064 N TYR A 65 53.831 -7.650 1.005 1.00 0.00 N ATOM 1065 CA TYR A 65 55.247 -7.701 1.447 1.00 0.00 C ATOM 1066 C TYR A 65 55.316 -7.779 2.973 1.00 0.00 C ATOM 1067 O TYR A 65 56.308 -8.194 3.539 1.00 0.00 O ATOM 1068 CB TYR A 65 55.850 -6.402 0.927 1.00 0.00 C ATOM 1069 CG TYR A 65 56.381 -6.638 -0.468 1.00 0.00 C ATOM 1070 CD1 TYR A 65 55.737 -7.549 -1.314 1.00 0.00 C ATOM 1071 CD2 TYR A 65 57.515 -5.952 -0.916 1.00 0.00 C ATOM 1072 CE1 TYR A 65 56.226 -7.773 -2.606 1.00 0.00 C ATOM 1073 CE2 TYR A 65 58.004 -6.175 -2.208 1.00 0.00 C ATOM 1074 CZ TYR A 65 57.360 -7.086 -3.053 1.00 0.00 C ATOM 1075 OH TYR A 65 57.842 -7.305 -4.328 1.00 0.00 O ATOM 0 H TYR A 65 53.533 -6.766 0.592 1.00 0.00 H new ATOM 0 HA TYR A 65 55.783 -8.573 1.073 1.00 0.00 H new ATOM 0 HB2 TYR A 65 55.097 -5.614 0.916 1.00 0.00 H new ATOM 0 HB3 TYR A 65 56.652 -6.068 1.585 1.00 0.00 H new ATOM 0 HD1 TYR A 65 54.862 -8.080 -0.969 1.00 0.00 H new ATOM 0 HD2 TYR A 65 58.013 -5.250 -0.264 1.00 0.00 H new ATOM 0 HE1 TYR A 65 55.728 -8.476 -3.258 1.00 0.00 H new ATOM 0 HE2 TYR A 65 58.879 -5.644 -2.553 1.00 0.00 H new ATOM 0 HH TYR A 65 58.337 -6.515 -4.631 1.00 0.00 H new ATOM 1085 N ASP A 66 54.264 -7.397 3.644 1.00 0.00 N ATOM 1086 CA ASP A 66 54.272 -7.467 5.131 1.00 0.00 C ATOM 1087 C ASP A 66 54.604 -8.902 5.561 1.00 0.00 C ATOM 1088 O ASP A 66 55.347 -9.130 6.495 1.00 0.00 O ATOM 1089 CB ASP A 66 52.848 -7.044 5.550 1.00 0.00 C ATOM 1090 CG ASP A 66 52.149 -8.143 6.364 1.00 0.00 C ATOM 1091 OD1 ASP A 66 52.749 -8.625 7.311 1.00 0.00 O ATOM 1092 OD2 ASP A 66 51.025 -8.477 6.027 1.00 0.00 O ATOM 0 H ASP A 66 53.403 -7.041 3.228 1.00 0.00 H new ATOM 0 HA ASP A 66 55.017 -6.824 5.599 1.00 0.00 H new ATOM 0 HB2 ASP A 66 52.898 -6.129 6.141 1.00 0.00 H new ATOM 0 HB3 ASP A 66 52.259 -6.818 4.661 1.00 0.00 H new ATOM 1097 N GLN A 67 54.061 -9.867 4.871 1.00 0.00 N ATOM 1098 CA GLN A 67 54.340 -11.287 5.219 1.00 0.00 C ATOM 1099 C GLN A 67 55.289 -11.898 4.186 1.00 0.00 C ATOM 1100 O GLN A 67 55.647 -13.057 4.267 1.00 0.00 O ATOM 1101 CB GLN A 67 52.980 -11.982 5.169 1.00 0.00 C ATOM 1102 CG GLN A 67 51.977 -11.209 6.027 1.00 0.00 C ATOM 1103 CD GLN A 67 50.881 -12.161 6.506 1.00 0.00 C ATOM 1104 OE1 GLN A 67 51.023 -12.805 7.526 1.00 0.00 O ATOM 1105 NE2 GLN A 67 49.783 -12.277 5.808 1.00 0.00 N ATOM 0 H GLN A 67 53.434 -9.732 4.078 1.00 0.00 H new ATOM 0 HA GLN A 67 54.814 -11.391 6.195 1.00 0.00 H new ATOM 0 HB2 GLN A 67 52.626 -12.038 4.139 1.00 0.00 H new ATOM 0 HB3 GLN A 67 53.070 -13.006 5.531 1.00 0.00 H new ATOM 0 HG2 GLN A 67 52.483 -10.759 6.881 1.00 0.00 H new ATOM 0 HG3 GLN A 67 51.540 -10.394 5.450 1.00 0.00 H new ATOM 0 HE21 GLN A 67 49.664 -11.736 4.951 1.00 0.00 H new ATOM 0 HE22 GLN A 67 49.045 -12.908 6.120 1.00 0.00 H new ATOM 1114 N TYR A 68 55.696 -11.129 3.213 1.00 0.00 N ATOM 1115 CA TYR A 68 56.617 -11.669 2.174 1.00 0.00 C ATOM 1116 C TYR A 68 55.929 -12.793 1.395 1.00 0.00 C ATOM 1117 O TYR A 68 56.571 -13.674 0.858 1.00 0.00 O ATOM 1118 CB TYR A 68 57.817 -12.210 2.952 1.00 0.00 C ATOM 1119 CG TYR A 68 59.020 -11.339 2.686 1.00 0.00 C ATOM 1120 CD1 TYR A 68 58.989 -9.978 3.013 1.00 0.00 C ATOM 1121 CD2 TYR A 68 60.168 -11.895 2.112 1.00 0.00 C ATOM 1122 CE1 TYR A 68 60.108 -9.173 2.765 1.00 0.00 C ATOM 1123 CE2 TYR A 68 61.287 -11.092 1.864 1.00 0.00 C ATOM 1124 CZ TYR A 68 61.257 -9.731 2.191 1.00 0.00 C ATOM 1125 OH TYR A 68 62.361 -8.939 1.947 1.00 0.00 O ATOM 0 H TYR A 68 55.431 -10.151 3.093 1.00 0.00 H new ATOM 0 HA TYR A 68 56.912 -10.912 1.447 1.00 0.00 H new ATOM 0 HB2 TYR A 68 57.595 -12.227 4.019 1.00 0.00 H new ATOM 0 HB3 TYR A 68 58.025 -13.237 2.653 1.00 0.00 H new ATOM 0 HD1 TYR A 68 58.103 -9.549 3.456 1.00 0.00 H new ATOM 0 HD2 TYR A 68 60.191 -12.945 1.860 1.00 0.00 H new ATOM 0 HE1 TYR A 68 60.085 -8.123 3.016 1.00 0.00 H new ATOM 0 HE2 TYR A 68 62.173 -11.522 1.421 1.00 0.00 H new ATOM 0 HH TYR A 68 63.106 -9.234 2.511 1.00 0.00 H new ATOM 1135 N GLY A 69 54.626 -12.769 1.334 1.00 0.00 N ATOM 1136 CA GLY A 69 53.894 -13.836 0.595 1.00 0.00 C ATOM 1137 C GLY A 69 53.238 -14.786 1.597 1.00 0.00 C ATOM 1138 O GLY A 69 53.593 -14.816 2.759 1.00 0.00 O ATOM 0 H GLY A 69 54.036 -12.056 1.764 1.00 0.00 H new ATOM 0 HA2 GLY A 69 53.137 -13.392 -0.052 1.00 0.00 H new ATOM 0 HA3 GLY A 69 54.581 -14.386 -0.048 1.00 0.00 H new ATOM 1142 N HIS A 70 52.286 -15.561 1.160 1.00 0.00 N ATOM 1143 CA HIS A 70 51.611 -16.507 2.094 1.00 0.00 C ATOM 1144 C HIS A 70 52.580 -17.617 2.511 1.00 0.00 C ATOM 1145 O HIS A 70 52.277 -18.434 3.358 1.00 0.00 O ATOM 1146 CB HIS A 70 50.439 -17.082 1.299 1.00 0.00 C ATOM 1147 CG HIS A 70 50.965 -17.949 0.189 1.00 0.00 C ATOM 1148 ND1 HIS A 70 51.582 -19.165 0.430 1.00 0.00 N ATOM 1149 CD2 HIS A 70 50.973 -17.788 -1.175 1.00 0.00 C ATOM 1150 CE1 HIS A 70 51.934 -19.685 -0.760 1.00 0.00 C ATOM 1151 NE2 HIS A 70 51.586 -18.886 -1.772 1.00 0.00 N ATOM 0 H HIS A 70 51.946 -15.581 0.199 1.00 0.00 H new ATOM 0 HA HIS A 70 51.277 -16.018 3.009 1.00 0.00 H new ATOM 0 HB2 HIS A 70 49.792 -17.665 1.955 1.00 0.00 H new ATOM 0 HB3 HIS A 70 49.833 -16.274 0.888 1.00 0.00 H new ATOM 0 HD2 HIS A 70 50.566 -16.939 -1.704 1.00 0.00 H new ATOM 0 HE1 HIS A 70 52.437 -20.633 -0.882 1.00 0.00 H new ATOM 0 HE2 HIS A 70 51.737 -19.046 -2.768 1.00 0.00 H new ATOM 1159 N ALA A 71 53.744 -17.649 1.923 1.00 0.00 N ATOM 1160 CA ALA A 71 54.735 -18.701 2.286 1.00 0.00 C ATOM 1161 C ALA A 71 55.150 -18.549 3.750 1.00 0.00 C ATOM 1162 O ALA A 71 55.322 -19.518 4.461 1.00 0.00 O ATOM 1163 CB ALA A 71 55.926 -18.459 1.360 1.00 0.00 C ATOM 0 H ALA A 71 54.052 -16.992 1.206 1.00 0.00 H new ATOM 0 HA ALA A 71 54.332 -19.708 2.174 1.00 0.00 H new ATOM 0 HB1 ALA A 71 56.702 -19.196 1.566 1.00 0.00 H new ATOM 0 HB2 ALA A 71 55.605 -18.550 0.322 1.00 0.00 H new ATOM 0 HB3 ALA A 71 56.322 -17.458 1.530 1.00 0.00 H new ATOM 1169 N ALA A 72 55.305 -17.337 4.210 1.00 0.00 N ATOM 1170 CA ALA A 72 55.701 -17.127 5.630 1.00 0.00 C ATOM 1171 C ALA A 72 54.713 -17.841 6.555 1.00 0.00 C ATOM 1172 O ALA A 72 54.993 -18.083 7.712 1.00 0.00 O ATOM 1173 CB ALA A 72 55.641 -15.614 5.842 1.00 0.00 C ATOM 0 H ALA A 72 55.175 -16.485 3.664 1.00 0.00 H new ATOM 0 HA ALA A 72 56.692 -17.525 5.849 1.00 0.00 H new ATOM 0 HB1 ALA A 72 55.921 -15.379 6.869 1.00 0.00 H new ATOM 0 HB2 ALA A 72 56.332 -15.123 5.156 1.00 0.00 H new ATOM 0 HB3 ALA A 72 54.628 -15.260 5.652 1.00 0.00 H new ATOM 1179 N PHE A 73 53.557 -18.181 6.050 1.00 0.00 N ATOM 1180 CA PHE A 73 52.549 -18.882 6.897 1.00 0.00 C ATOM 1181 C PHE A 73 52.537 -20.379 6.572 1.00 0.00 C ATOM 1182 O PHE A 73 52.531 -21.215 7.452 1.00 0.00 O ATOM 1183 CB PHE A 73 51.209 -18.243 6.532 1.00 0.00 C ATOM 1184 CG PHE A 73 50.757 -17.342 7.655 1.00 0.00 C ATOM 1185 CD1 PHE A 73 51.700 -16.634 8.408 1.00 0.00 C ATOM 1186 CD2 PHE A 73 49.393 -17.214 7.945 1.00 0.00 C ATOM 1187 CE1 PHE A 73 51.282 -15.798 9.449 1.00 0.00 C ATOM 1188 CE2 PHE A 73 48.974 -16.378 8.986 1.00 0.00 C ATOM 1189 CZ PHE A 73 49.919 -15.670 9.738 1.00 0.00 C ATOM 0 H PHE A 73 53.267 -18.004 5.088 1.00 0.00 H new ATOM 0 HA PHE A 73 52.767 -18.789 7.961 1.00 0.00 H new ATOM 0 HB2 PHE A 73 51.307 -17.671 5.609 1.00 0.00 H new ATOM 0 HB3 PHE A 73 50.463 -19.017 6.350 1.00 0.00 H new ATOM 0 HD1 PHE A 73 52.752 -16.733 8.185 1.00 0.00 H new ATOM 0 HD2 PHE A 73 48.664 -17.761 7.365 1.00 0.00 H new ATOM 0 HE1 PHE A 73 52.011 -15.252 10.029 1.00 0.00 H new ATOM 0 HE2 PHE A 73 47.922 -16.279 9.209 1.00 0.00 H new ATOM 0 HZ PHE A 73 49.596 -15.025 10.542 1.00 0.00 H new ATOM 1199 N GLU A 74 52.535 -20.722 5.312 1.00 0.00 N ATOM 1200 CA GLU A 74 52.525 -22.163 4.931 1.00 0.00 C ATOM 1201 C GLU A 74 53.492 -22.407 3.771 1.00 0.00 C ATOM 1202 O GLU A 74 53.824 -21.505 3.027 1.00 0.00 O ATOM 1203 CB GLU A 74 51.085 -22.453 4.501 1.00 0.00 C ATOM 1204 CG GLU A 74 50.115 -21.863 5.525 1.00 0.00 C ATOM 1205 CD GLU A 74 48.691 -21.920 4.971 1.00 0.00 C ATOM 1206 OE1 GLU A 74 48.465 -21.354 3.913 1.00 0.00 O ATOM 1207 OE2 GLU A 74 47.851 -22.529 5.611 1.00 0.00 O ATOM 0 H GLU A 74 52.540 -20.067 4.531 1.00 0.00 H new ATOM 0 HA GLU A 74 52.841 -22.809 5.750 1.00 0.00 H new ATOM 0 HB2 GLU A 74 50.895 -22.025 3.517 1.00 0.00 H new ATOM 0 HB3 GLU A 74 50.930 -23.529 4.416 1.00 0.00 H new ATOM 0 HG2 GLU A 74 50.175 -22.419 6.461 1.00 0.00 H new ATOM 0 HG3 GLU A 74 50.389 -20.832 5.749 1.00 0.00 H new ATOM 1214 N GLN A 75 53.948 -23.618 3.608 1.00 0.00 N ATOM 1215 CA GLN A 75 54.894 -23.915 2.494 1.00 0.00 C ATOM 1216 C GLN A 75 54.836 -25.400 2.126 1.00 0.00 C ATOM 1217 O GLN A 75 55.489 -26.227 2.732 1.00 0.00 O ATOM 1218 CB GLN A 75 56.275 -23.552 3.042 1.00 0.00 C ATOM 1219 CG GLN A 75 56.808 -22.321 2.306 1.00 0.00 C ATOM 1220 CD GLN A 75 58.174 -21.934 2.874 1.00 0.00 C ATOM 1221 OE1 GLN A 75 59.133 -21.797 2.140 1.00 0.00 O ATOM 1222 NE2 GLN A 75 58.306 -21.751 4.160 1.00 0.00 N ATOM 0 H GLN A 75 53.707 -24.415 4.197 1.00 0.00 H new ATOM 0 HA GLN A 75 54.653 -23.357 1.589 1.00 0.00 H new ATOM 0 HB2 GLN A 75 56.212 -23.351 4.111 1.00 0.00 H new ATOM 0 HB3 GLN A 75 56.960 -24.390 2.915 1.00 0.00 H new ATOM 0 HG2 GLN A 75 56.893 -22.531 1.240 1.00 0.00 H new ATOM 0 HG3 GLN A 75 56.110 -21.491 2.413 1.00 0.00 H new ATOM 0 HE21 GLN A 75 57.502 -21.866 4.777 1.00 0.00 H new ATOM 0 HE22 GLN A 75 59.213 -21.493 4.548 1.00 0.00 H new ATOM 1231 N GLY A 76 54.058 -25.745 1.137 1.00 0.00 N ATOM 1232 CA GLY A 76 53.960 -27.175 0.730 1.00 0.00 C ATOM 1233 C GLY A 76 54.601 -27.357 -0.647 1.00 0.00 C ATOM 1234 O GLY A 76 55.210 -28.370 -0.930 1.00 0.00 O ATOM 0 H GLY A 76 53.486 -25.099 0.593 1.00 0.00 H new ATOM 0 HA2 GLY A 76 54.460 -27.808 1.463 1.00 0.00 H new ATOM 0 HA3 GLY A 76 52.916 -27.485 0.701 1.00 0.00 H new ATOM 1238 N GLY A 77 54.471 -26.382 -1.505 1.00 0.00 N ATOM 1239 CA GLY A 77 55.074 -26.496 -2.863 1.00 0.00 C ATOM 1240 C GLY A 77 53.964 -26.521 -3.916 1.00 0.00 C ATOM 1241 O GLY A 77 54.102 -25.828 -4.910 1.00 0.00 O ATOM 1242 OXT GLY A 77 52.995 -27.232 -3.708 1.00 0.00 O ATOM 0 H GLY A 77 53.973 -25.511 -1.324 1.00 0.00 H new ATOM 0 HA2 GLY A 77 55.744 -25.656 -3.046 1.00 0.00 H new ATOM 0 HA3 GLY A 77 55.674 -27.403 -2.931 1.00 0.00 H new TER 1246 GLY A 77