USER MOD reduce.3.24.130724 H: found=0, std=0, add=552, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 555 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 69 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 73 HIS : no HD1:sc=-0.000894 X(o=-0.00089,f=0.39) USER MOD Set 2.1: A 8 HIS : no HE2:sc= -1.71! C(o=-0.74!,f=-9.6!) USER MOD Set 2.2: A 24 TYR OH : rot 180:sc= 0 USER MOD Set 2.3: A 26 THR OG1 : rot 98:sc= 0.966 USER MOD Set 3.1: A 22 THR OG1 : rot 140:sc= 0 USER MOD Set 3.2: A 79 LYS NZ :NH3+ 146:sc= 0.222 (180deg=0.022) USER MOD Single : A 7 ASN : amide:sc= -0.421 K(o=-0.42,f=-9.3!) USER MOD Single : A 9 TYR OH : rot 130:sc= -0.348 USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 CYS SG : rot -129:sc= 0.905 USER MOD Single : A 16 LYS NZ :NH3+ -155:sc= -0.219 (180deg=-0.831) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ 164:sc= -0.0599 (180deg=-0.308) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 55 THR OG1 : rot 180:sc= -0.199 USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.00219) USER MOD Single : A 65 MET CE :methyl -162:sc= -0.124 (180deg=-0.628) USER MOD Single : A 72 LYS NZ :NH3+ 173:sc= 0.648 (180deg=0.247) USER MOD Single : A 75 SER OG : rot 180:sc= -0.0636 USER MOD Single : A 78 LYS NZ :NH3+ -179:sc= 0 (180deg=-4.54e-06) USER MOD Single : A 81 GLN : amide:sc= -0.0193 X(o=-0.019,f=-0.47) USER MOD Single : A 84 SER OG : rot 61:sc= 0.666 USER MOD ----------------------------------------------------------------- ATOM 18 N ASN A 7 2.083 -13.279 -5.658 1.00 0.00 N ATOM 19 CA ASN A 7 2.832 -12.038 -5.750 1.00 0.00 C ATOM 20 C ASN A 7 1.936 -10.865 -5.386 1.00 0.00 C ATOM 21 O ASN A 7 1.316 -10.236 -6.244 1.00 0.00 O ATOM 22 CB ASN A 7 3.455 -11.851 -7.146 1.00 0.00 C ATOM 23 CG ASN A 7 2.521 -12.221 -8.290 1.00 0.00 C ATOM 24 OD1 ASN A 7 2.520 -13.358 -8.755 1.00 0.00 O ATOM 25 ND2 ASN A 7 1.735 -11.266 -8.758 1.00 0.00 N ATOM 0 HA ASN A 7 3.657 -12.083 -5.039 1.00 0.00 H new ATOM 0 HB2 ASN A 7 3.761 -10.811 -7.261 1.00 0.00 H new ATOM 0 HB3 ASN A 7 4.358 -12.458 -7.215 1.00 0.00 H new ATOM 0 HD21 ASN A 7 1.099 -11.462 -9.531 1.00 0.00 H new ATOM 0 HD22 ASN A 7 1.764 -10.334 -8.346 1.00 0.00 H new ATOM 32 N HIS A 8 1.834 -10.604 -4.095 1.00 0.00 N ATOM 33 CA HIS A 8 1.009 -9.520 -3.608 1.00 0.00 C ATOM 34 C HIS A 8 1.767 -8.206 -3.648 1.00 0.00 C ATOM 35 O HIS A 8 2.896 -8.116 -3.169 1.00 0.00 O ATOM 36 CB HIS A 8 0.534 -9.803 -2.180 1.00 0.00 C ATOM 37 CG HIS A 8 -0.137 -8.631 -1.539 1.00 0.00 C ATOM 38 ND1 HIS A 8 -1.399 -8.207 -1.879 1.00 0.00 N ATOM 39 CD2 HIS A 8 0.295 -7.780 -0.580 1.00 0.00 C ATOM 40 CE1 HIS A 8 -1.713 -7.146 -1.165 1.00 0.00 C ATOM 41 NE2 HIS A 8 -0.704 -6.867 -0.366 1.00 0.00 N ATOM 0 H HIS A 8 2.315 -11.131 -3.366 1.00 0.00 H new ATOM 0 HA HIS A 8 0.139 -9.442 -4.260 1.00 0.00 H new ATOM 0 HB2 HIS A 8 -0.157 -10.646 -2.194 1.00 0.00 H new ATOM 0 HB3 HIS A 8 1.388 -10.101 -1.572 1.00 0.00 H new ATOM 0 HD1 HIS A 8 -2.000 -8.646 -2.577 1.00 0.00 H new ATOM 0 HD2 HIS A 8 1.250 -7.814 -0.077 1.00 0.00 H new ATOM 0 HE1 HIS A 8 -2.641 -6.597 -1.225 1.00 0.00 H new ATOM 50 N TYR A 9 1.129 -7.194 -4.201 1.00 0.00 N ATOM 51 CA TYR A 9 1.713 -5.870 -4.258 1.00 0.00 C ATOM 52 C TYR A 9 0.893 -4.895 -3.426 1.00 0.00 C ATOM 53 O TYR A 9 -0.324 -4.761 -3.618 1.00 0.00 O ATOM 54 CB TYR A 9 1.791 -5.373 -5.703 1.00 0.00 C ATOM 55 CG TYR A 9 2.552 -6.290 -6.635 1.00 0.00 C ATOM 56 CD1 TYR A 9 3.938 -6.216 -6.739 1.00 0.00 C ATOM 57 CD2 TYR A 9 1.885 -7.224 -7.417 1.00 0.00 C ATOM 58 CE1 TYR A 9 4.633 -7.050 -7.596 1.00 0.00 C ATOM 59 CE2 TYR A 9 2.572 -8.060 -8.273 1.00 0.00 C ATOM 60 CZ TYR A 9 3.946 -7.968 -8.362 1.00 0.00 C ATOM 61 OH TYR A 9 4.633 -8.801 -9.218 1.00 0.00 O ATOM 0 H TYR A 9 0.201 -7.265 -4.619 1.00 0.00 H new ATOM 0 HA TYR A 9 2.723 -5.928 -3.852 1.00 0.00 H new ATOM 0 HB2 TYR A 9 0.779 -5.243 -6.086 1.00 0.00 H new ATOM 0 HB3 TYR A 9 2.263 -4.391 -5.712 1.00 0.00 H new ATOM 0 HD1 TYR A 9 4.479 -5.497 -6.142 1.00 0.00 H new ATOM 0 HD2 TYR A 9 0.809 -7.297 -7.354 1.00 0.00 H new ATOM 0 HE1 TYR A 9 5.709 -6.983 -7.665 1.00 0.00 H new ATOM 0 HE2 TYR A 9 2.037 -8.783 -8.871 1.00 0.00 H new ATOM 0 HH TYR A 9 4.348 -9.727 -9.072 1.00 0.00 H new ATOM 71 N VAL A 10 1.553 -4.265 -2.468 1.00 0.00 N ATOM 72 CA VAL A 10 0.989 -3.118 -1.778 1.00 0.00 C ATOM 73 C VAL A 10 1.508 -1.863 -2.452 1.00 0.00 C ATOM 74 O VAL A 10 2.616 -1.408 -2.167 1.00 0.00 O ATOM 75 CB VAL A 10 1.363 -3.059 -0.277 1.00 0.00 C ATOM 76 CG1 VAL A 10 0.673 -1.877 0.389 1.00 0.00 C ATOM 77 CG2 VAL A 10 1.004 -4.346 0.443 1.00 0.00 C ATOM 0 H VAL A 10 2.485 -4.531 -2.150 1.00 0.00 H new ATOM 0 HA VAL A 10 -0.096 -3.203 -1.834 1.00 0.00 H new ATOM 0 HB VAL A 10 2.444 -2.932 -0.210 1.00 0.00 H new ATOM 0 HG11 VAL A 10 0.943 -1.845 1.444 1.00 0.00 H new ATOM 0 HG12 VAL A 10 0.988 -0.952 -0.094 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -0.407 -1.986 0.294 1.00 0.00 H new ATOM 0 HG21 VAL A 10 1.282 -4.265 1.494 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -0.069 -4.520 0.364 1.00 0.00 H new ATOM 0 HG23 VAL A 10 1.541 -5.179 -0.011 1.00 0.00 H new ATOM 87 N TYR A 11 0.737 -1.334 -3.379 1.00 0.00 N ATOM 88 CA TYR A 11 1.178 -0.177 -4.131 1.00 0.00 C ATOM 89 C TYR A 11 0.388 1.045 -3.704 1.00 0.00 C ATOM 90 O TYR A 11 -0.818 0.964 -3.486 1.00 0.00 O ATOM 91 CB TYR A 11 1.045 -0.430 -5.643 1.00 0.00 C ATOM 92 CG TYR A 11 -0.369 -0.670 -6.130 1.00 0.00 C ATOM 93 CD1 TYR A 11 -1.175 0.394 -6.486 1.00 0.00 C ATOM 94 CD2 TYR A 11 -0.889 -1.953 -6.248 1.00 0.00 C ATOM 95 CE1 TYR A 11 -2.459 0.207 -6.950 1.00 0.00 C ATOM 96 CE2 TYR A 11 -2.179 -2.157 -6.708 1.00 0.00 C ATOM 97 CZ TYR A 11 -2.960 -1.073 -7.059 1.00 0.00 C ATOM 98 OH TYR A 11 -4.240 -1.272 -7.528 1.00 0.00 O ATOM 0 H TYR A 11 -0.189 -1.682 -3.629 1.00 0.00 H new ATOM 0 HA TYR A 11 2.232 0.005 -3.921 1.00 0.00 H new ATOM 0 HB2 TYR A 11 1.457 0.426 -6.177 1.00 0.00 H new ATOM 0 HB3 TYR A 11 1.656 -1.294 -5.907 1.00 0.00 H new ATOM 0 HD1 TYR A 11 -0.789 1.399 -6.398 1.00 0.00 H new ATOM 0 HD2 TYR A 11 -0.279 -2.802 -5.977 1.00 0.00 H new ATOM 0 HE1 TYR A 11 -3.068 1.056 -7.226 1.00 0.00 H new ATOM 0 HE2 TYR A 11 -2.573 -3.159 -6.792 1.00 0.00 H new ATOM 0 HH TYR A 11 -4.437 -2.232 -7.544 1.00 0.00 H new ATOM 108 N ILE A 12 1.063 2.168 -3.550 1.00 0.00 N ATOM 109 CA ILE A 12 0.384 3.376 -3.120 1.00 0.00 C ATOM 110 C ILE A 12 0.561 4.490 -4.151 1.00 0.00 C ATOM 111 O ILE A 12 1.684 4.838 -4.541 1.00 0.00 O ATOM 112 CB ILE A 12 0.856 3.813 -1.706 1.00 0.00 C ATOM 113 CG1 ILE A 12 -0.119 4.820 -1.095 1.00 0.00 C ATOM 114 CG2 ILE A 12 2.260 4.395 -1.738 1.00 0.00 C ATOM 115 CD1 ILE A 12 0.194 5.156 0.349 1.00 0.00 C ATOM 0 H ILE A 12 2.065 2.270 -3.713 1.00 0.00 H new ATOM 0 HA ILE A 12 -0.682 3.162 -3.047 1.00 0.00 H new ATOM 0 HB ILE A 12 0.877 2.920 -1.081 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -0.102 5.736 -1.686 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -1.131 4.419 -1.157 1.00 0.00 H new ATOM 0 HG21 ILE A 12 2.555 4.689 -0.731 1.00 0.00 H new ATOM 0 HG22 ILE A 12 2.956 3.646 -2.116 1.00 0.00 H new ATOM 0 HG23 ILE A 12 2.277 5.268 -2.390 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -0.535 5.875 0.722 1.00 0.00 H new ATOM 0 HD12 ILE A 12 0.149 4.249 0.952 1.00 0.00 H new ATOM 0 HD13 ILE A 12 1.194 5.586 0.414 1.00 0.00 H new ATOM 127 N LEU A 13 -0.561 5.004 -4.629 1.00 0.00 N ATOM 128 CA LEU A 13 -0.569 6.047 -5.646 1.00 0.00 C ATOM 129 C LEU A 13 -0.977 7.379 -5.048 1.00 0.00 C ATOM 130 O LEU A 13 -2.050 7.495 -4.455 1.00 0.00 O ATOM 131 CB LEU A 13 -1.551 5.706 -6.779 1.00 0.00 C ATOM 132 CG LEU A 13 -1.035 4.759 -7.869 1.00 0.00 C ATOM 133 CD1 LEU A 13 -0.639 3.424 -7.291 1.00 0.00 C ATOM 134 CD2 LEU A 13 -2.089 4.567 -8.942 1.00 0.00 C ATOM 0 H LEU A 13 -1.490 4.712 -4.325 1.00 0.00 H new ATOM 0 HA LEU A 13 0.443 6.113 -6.045 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -2.443 5.263 -6.336 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -1.860 6.637 -7.254 1.00 0.00 H new ATOM 0 HG LEU A 13 -0.150 5.213 -8.314 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -0.277 2.775 -8.089 1.00 0.00 H new ATOM 0 HD12 LEU A 13 0.151 3.567 -6.553 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -1.504 2.964 -6.813 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -1.709 3.892 -9.709 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -2.988 4.140 -8.497 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -2.329 5.530 -9.392 1.00 0.00 H new ATOM 146 N GLU A 14 -0.130 8.378 -5.194 1.00 0.00 N ATOM 147 CA GLU A 14 -0.508 9.729 -4.837 1.00 0.00 C ATOM 148 C GLU A 14 -1.332 10.323 -5.964 1.00 0.00 C ATOM 149 O GLU A 14 -0.827 10.530 -7.065 1.00 0.00 O ATOM 150 CB GLU A 14 0.723 10.602 -4.573 1.00 0.00 C ATOM 151 CG GLU A 14 0.372 12.031 -4.188 1.00 0.00 C ATOM 152 CD GLU A 14 1.590 12.890 -3.936 1.00 0.00 C ATOM 153 OE1 GLU A 14 2.250 12.702 -2.891 1.00 0.00 O ATOM 154 OE2 GLU A 14 1.886 13.769 -4.775 1.00 0.00 O ATOM 0 H GLU A 14 0.819 8.280 -5.555 1.00 0.00 H new ATOM 0 HA GLU A 14 -1.094 9.697 -3.919 1.00 0.00 H new ATOM 0 HB2 GLU A 14 1.315 10.153 -3.776 1.00 0.00 H new ATOM 0 HB3 GLU A 14 1.349 10.616 -5.465 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -0.224 12.480 -4.983 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -0.249 12.018 -3.292 1.00 0.00 H new ATOM 161 N CYS A 15 -2.600 10.567 -5.704 1.00 0.00 N ATOM 162 CA CYS A 15 -3.454 11.189 -6.695 1.00 0.00 C ATOM 163 C CYS A 15 -3.080 12.660 -6.796 1.00 0.00 C ATOM 164 O CYS A 15 -2.464 13.202 -5.878 1.00 0.00 O ATOM 165 CB CYS A 15 -4.929 11.030 -6.305 1.00 0.00 C ATOM 166 SG CYS A 15 -6.101 11.652 -7.541 1.00 0.00 S ATOM 0 H CYS A 15 -3.060 10.346 -4.821 1.00 0.00 H new ATOM 0 HA CYS A 15 -3.314 10.707 -7.663 1.00 0.00 H new ATOM 0 HB2 CYS A 15 -5.133 9.974 -6.127 1.00 0.00 H new ATOM 0 HB3 CYS A 15 -5.102 11.551 -5.363 1.00 0.00 H new ATOM 0 HG CYS A 15 -6.949 12.455 -6.970 1.00 0.00 H new ATOM 172 N LYS A 16 -3.442 13.297 -7.904 1.00 0.00 N ATOM 173 CA LYS A 16 -3.138 14.713 -8.122 1.00 0.00 C ATOM 174 C LYS A 16 -3.613 15.563 -6.945 1.00 0.00 C ATOM 175 O LYS A 16 -3.009 16.579 -6.614 1.00 0.00 O ATOM 176 CB LYS A 16 -3.798 15.203 -9.412 1.00 0.00 C ATOM 177 CG LYS A 16 -3.652 16.697 -9.642 1.00 0.00 C ATOM 178 CD LYS A 16 -4.460 17.160 -10.837 1.00 0.00 C ATOM 179 CE LYS A 16 -4.576 18.675 -10.872 1.00 0.00 C ATOM 180 NZ LYS A 16 -5.173 19.215 -9.620 1.00 0.00 N ATOM 0 H LYS A 16 -3.949 12.855 -8.671 1.00 0.00 H new ATOM 0 HA LYS A 16 -2.056 14.816 -8.209 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -3.363 14.670 -10.257 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -4.858 14.950 -9.386 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -3.977 17.236 -8.752 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -2.601 16.941 -9.797 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -3.990 16.808 -11.755 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -5.456 16.718 -10.799 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -3.588 19.111 -11.021 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -5.188 18.973 -11.724 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -5.620 20.133 -9.817 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -5.889 18.551 -9.262 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -4.428 19.339 -8.905 1.00 0.00 H new ATOM 194 N ASP A 17 -4.693 15.121 -6.310 1.00 0.00 N ATOM 195 CA ASP A 17 -5.283 15.843 -5.184 1.00 0.00 C ATOM 196 C ASP A 17 -4.359 15.815 -3.967 1.00 0.00 C ATOM 197 O ASP A 17 -4.407 16.708 -3.121 1.00 0.00 O ATOM 198 CB ASP A 17 -6.637 15.234 -4.814 1.00 0.00 C ATOM 199 CG ASP A 17 -7.544 15.064 -6.011 1.00 0.00 C ATOM 200 OD1 ASP A 17 -8.096 16.072 -6.501 1.00 0.00 O ATOM 201 OD2 ASP A 17 -7.702 13.914 -6.476 1.00 0.00 O ATOM 0 H ASP A 17 -5.182 14.260 -6.557 1.00 0.00 H new ATOM 0 HA ASP A 17 -5.423 16.880 -5.489 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -6.478 14.264 -4.342 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -7.128 15.870 -4.078 1.00 0.00 H new ATOM 206 N GLY A 18 -3.508 14.799 -3.892 1.00 0.00 N ATOM 207 CA GLY A 18 -2.613 14.663 -2.757 1.00 0.00 C ATOM 208 C GLY A 18 -2.956 13.476 -1.882 1.00 0.00 C ATOM 209 O GLY A 18 -2.271 13.204 -0.897 1.00 0.00 O ATOM 0 H GLY A 18 -3.421 14.066 -4.596 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -1.589 14.560 -3.117 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -2.651 15.573 -2.159 1.00 0.00 H new ATOM 213 N SER A 19 -4.018 12.770 -2.236 1.00 0.00 N ATOM 214 CA SER A 19 -4.439 11.603 -1.476 1.00 0.00 C ATOM 215 C SER A 19 -3.646 10.368 -1.903 1.00 0.00 C ATOM 216 O SER A 19 -3.554 10.059 -3.093 1.00 0.00 O ATOM 217 CB SER A 19 -5.942 11.367 -1.667 1.00 0.00 C ATOM 218 OG SER A 19 -6.397 10.269 -0.892 1.00 0.00 O ATOM 0 H SER A 19 -4.604 12.984 -3.043 1.00 0.00 H new ATOM 0 HA SER A 19 -4.243 11.785 -0.419 1.00 0.00 H new ATOM 0 HB2 SER A 19 -6.491 12.265 -1.385 1.00 0.00 H new ATOM 0 HB3 SER A 19 -6.152 11.182 -2.721 1.00 0.00 H new ATOM 0 HG SER A 19 -7.359 10.145 -1.034 1.00 0.00 H new ATOM 224 N TRP A 20 -3.057 9.681 -0.931 1.00 0.00 N ATOM 225 CA TRP A 20 -2.311 8.459 -1.201 1.00 0.00 C ATOM 226 C TRP A 20 -3.235 7.249 -1.150 1.00 0.00 C ATOM 227 O TRP A 20 -3.743 6.886 -0.085 1.00 0.00 O ATOM 228 CB TRP A 20 -1.181 8.274 -0.187 1.00 0.00 C ATOM 229 CG TRP A 20 -0.111 9.320 -0.255 1.00 0.00 C ATOM 230 CD1 TRP A 20 0.192 10.115 -1.320 1.00 0.00 C ATOM 231 CD2 TRP A 20 0.819 9.668 0.781 1.00 0.00 C ATOM 232 NE1 TRP A 20 1.243 10.944 -1.012 1.00 0.00 N ATOM 233 CE2 TRP A 20 1.647 10.688 0.273 1.00 0.00 C ATOM 234 CE3 TRP A 20 1.028 9.221 2.090 1.00 0.00 C ATOM 235 CZ2 TRP A 20 2.667 11.265 1.026 1.00 0.00 C ATOM 236 CZ3 TRP A 20 2.042 9.795 2.834 1.00 0.00 C ATOM 237 CH2 TRP A 20 2.849 10.807 2.301 1.00 0.00 C ATOM 0 H TRP A 20 -3.082 9.951 0.052 1.00 0.00 H new ATOM 0 HA TRP A 20 -1.881 8.546 -2.199 1.00 0.00 H new ATOM 0 HB2 TRP A 20 -1.607 8.272 0.816 1.00 0.00 H new ATOM 0 HB3 TRP A 20 -0.726 7.296 -0.343 1.00 0.00 H new ATOM 0 HD1 TRP A 20 -0.321 10.096 -2.270 1.00 0.00 H new ATOM 0 HE1 TRP A 20 1.655 11.637 -1.637 1.00 0.00 H new ATOM 0 HE3 TRP A 20 0.409 8.443 2.511 1.00 0.00 H new ATOM 0 HZ2 TRP A 20 3.291 12.046 0.617 1.00 0.00 H new ATOM 0 HZ3 TRP A 20 2.215 9.456 3.845 1.00 0.00 H new ATOM 0 HH2 TRP A 20 3.632 11.235 2.910 1.00 0.00 H new ATOM 248 N TYR A 21 -3.444 6.617 -2.295 1.00 0.00 N ATOM 249 CA TYR A 21 -4.314 5.455 -2.370 1.00 0.00 C ATOM 250 C TYR A 21 -3.506 4.172 -2.257 1.00 0.00 C ATOM 251 O TYR A 21 -2.663 3.883 -3.104 1.00 0.00 O ATOM 252 CB TYR A 21 -5.120 5.433 -3.674 1.00 0.00 C ATOM 253 CG TYR A 21 -6.043 4.236 -3.764 1.00 0.00 C ATOM 254 CD1 TYR A 21 -7.161 4.134 -2.945 1.00 0.00 C ATOM 255 CD2 TYR A 21 -5.779 3.194 -4.644 1.00 0.00 C ATOM 256 CE1 TYR A 21 -7.990 3.031 -3.002 1.00 0.00 C ATOM 257 CE2 TYR A 21 -6.599 2.085 -4.703 1.00 0.00 C ATOM 258 CZ TYR A 21 -7.703 2.009 -3.878 1.00 0.00 C ATOM 259 OH TYR A 21 -8.513 0.897 -3.919 1.00 0.00 O ATOM 0 H TYR A 21 -3.023 6.889 -3.183 1.00 0.00 H new ATOM 0 HA TYR A 21 -5.011 5.523 -1.534 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -5.708 6.348 -3.750 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -4.434 5.424 -4.521 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -7.385 4.931 -2.252 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -4.918 3.253 -5.293 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -8.858 2.971 -2.363 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -6.378 1.282 -5.390 1.00 0.00 H new ATOM 0 HH TYR A 21 -8.174 0.270 -4.591 1.00 0.00 H new ATOM 269 N THR A 22 -3.767 3.415 -1.207 1.00 0.00 N ATOM 270 CA THR A 22 -3.126 2.130 -1.013 1.00 0.00 C ATOM 271 C THR A 22 -3.910 1.041 -1.746 1.00 0.00 C ATOM 272 O THR A 22 -5.041 0.716 -1.376 1.00 0.00 O ATOM 273 CB THR A 22 -3.020 1.791 0.486 1.00 0.00 C ATOM 274 OG1 THR A 22 -2.493 2.921 1.204 1.00 0.00 O ATOM 275 CG2 THR A 22 -2.119 0.585 0.705 1.00 0.00 C ATOM 0 H THR A 22 -4.424 3.672 -0.471 1.00 0.00 H new ATOM 0 HA THR A 22 -2.117 2.182 -1.423 1.00 0.00 H new ATOM 0 HB THR A 22 -4.017 1.553 0.856 1.00 0.00 H new ATOM 0 HG1 THR A 22 -2.967 3.017 2.056 1.00 0.00 H new ATOM 0 HG21 THR A 22 -2.059 0.364 1.771 1.00 0.00 H new ATOM 0 HG22 THR A 22 -2.530 -0.276 0.179 1.00 0.00 H new ATOM 0 HG23 THR A 22 -1.121 0.802 0.323 1.00 0.00 H new ATOM 283 N GLY A 23 -3.315 0.508 -2.800 1.00 0.00 N ATOM 284 CA GLY A 23 -3.983 -0.477 -3.619 1.00 0.00 C ATOM 285 C GLY A 23 -3.587 -1.897 -3.274 1.00 0.00 C ATOM 286 O GLY A 23 -2.410 -2.191 -3.041 1.00 0.00 O ATOM 0 H GLY A 23 -2.371 0.744 -3.105 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -5.061 -0.368 -3.503 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -3.754 -0.286 -4.667 1.00 0.00 H new ATOM 290 N TYR A 24 -4.582 -2.771 -3.248 1.00 0.00 N ATOM 291 CA TYR A 24 -4.381 -4.181 -2.955 1.00 0.00 C ATOM 292 C TYR A 24 -4.465 -4.994 -4.240 1.00 0.00 C ATOM 293 O TYR A 24 -5.503 -5.008 -4.900 1.00 0.00 O ATOM 294 CB TYR A 24 -5.458 -4.652 -1.962 1.00 0.00 C ATOM 295 CG TYR A 24 -5.404 -6.124 -1.598 1.00 0.00 C ATOM 296 CD1 TYR A 24 -5.966 -7.090 -2.424 1.00 0.00 C ATOM 297 CD2 TYR A 24 -4.812 -6.542 -0.416 1.00 0.00 C ATOM 298 CE1 TYR A 24 -5.933 -8.428 -2.082 1.00 0.00 C ATOM 299 CE2 TYR A 24 -4.775 -7.878 -0.069 1.00 0.00 C ATOM 300 CZ TYR A 24 -5.338 -8.816 -0.903 1.00 0.00 C ATOM 301 OH TYR A 24 -5.299 -10.147 -0.561 1.00 0.00 O ATOM 0 H TYR A 24 -5.554 -2.521 -3.430 1.00 0.00 H new ATOM 0 HA TYR A 24 -3.395 -4.324 -2.513 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -5.368 -4.065 -1.048 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -6.439 -4.435 -2.385 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -6.436 -6.790 -3.349 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -4.372 -5.810 0.245 1.00 0.00 H new ATOM 0 HE1 TYR A 24 -6.372 -9.166 -2.737 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -4.306 -8.185 0.854 1.00 0.00 H new ATOM 0 HH TYR A 24 -4.843 -10.250 0.300 1.00 0.00 H new ATOM 311 N THR A 25 -3.378 -5.653 -4.618 1.00 0.00 N ATOM 312 CA THR A 25 -3.435 -6.575 -5.740 1.00 0.00 C ATOM 313 C THR A 25 -2.617 -7.832 -5.458 1.00 0.00 C ATOM 314 O THR A 25 -1.546 -7.774 -4.848 1.00 0.00 O ATOM 315 CB THR A 25 -2.977 -5.908 -7.065 1.00 0.00 C ATOM 316 OG1 THR A 25 -3.356 -6.726 -8.179 1.00 0.00 O ATOM 317 CG2 THR A 25 -1.472 -5.686 -7.097 1.00 0.00 C ATOM 0 H THR A 25 -2.464 -5.568 -4.173 1.00 0.00 H new ATOM 0 HA THR A 25 -4.479 -6.863 -5.864 1.00 0.00 H new ATOM 0 HB THR A 25 -3.466 -4.936 -7.128 1.00 0.00 H new ATOM 0 HG1 THR A 25 -3.066 -6.299 -9.012 1.00 0.00 H new ATOM 0 HG21 THR A 25 -1.193 -5.217 -8.041 1.00 0.00 H new ATOM 0 HG22 THR A 25 -1.182 -5.037 -6.270 1.00 0.00 H new ATOM 0 HG23 THR A 25 -0.961 -6.644 -7.003 1.00 0.00 H new ATOM 325 N THR A 26 -3.162 -8.971 -5.864 1.00 0.00 N ATOM 326 CA THR A 26 -2.500 -10.255 -5.701 1.00 0.00 C ATOM 327 C THR A 26 -2.893 -11.178 -6.852 1.00 0.00 C ATOM 328 O THR A 26 -3.755 -12.040 -6.697 1.00 0.00 O ATOM 329 CB THR A 26 -2.880 -10.934 -4.362 1.00 0.00 C ATOM 330 OG1 THR A 26 -2.910 -9.972 -3.292 1.00 0.00 O ATOM 331 CG2 THR A 26 -1.894 -12.042 -4.013 1.00 0.00 C ATOM 0 H THR A 26 -4.075 -9.029 -6.315 1.00 0.00 H new ATOM 0 HA THR A 26 -1.425 -10.076 -5.699 1.00 0.00 H new ATOM 0 HB THR A 26 -3.873 -11.367 -4.485 1.00 0.00 H new ATOM 0 HG1 THR A 26 -3.834 -9.688 -3.134 1.00 0.00 H new ATOM 0 HG21 THR A 26 -2.184 -12.503 -3.068 1.00 0.00 H new ATOM 0 HG22 THR A 26 -1.899 -12.795 -4.801 1.00 0.00 H new ATOM 0 HG23 THR A 26 -0.893 -11.622 -3.920 1.00 0.00 H new ATOM 351 N VAL A 28 -1.148 -13.461 -9.950 1.00 0.00 N ATOM 352 CA VAL A 28 -0.015 -14.022 -10.671 1.00 0.00 C ATOM 353 C VAL A 28 -0.163 -13.801 -12.177 1.00 0.00 C ATOM 354 O VAL A 28 0.817 -13.518 -12.868 1.00 0.00 O ATOM 355 CB VAL A 28 0.179 -15.531 -10.359 1.00 0.00 C ATOM 356 CG1 VAL A 28 -1.037 -16.348 -10.767 1.00 0.00 C ATOM 357 CG2 VAL A 28 1.435 -16.067 -11.033 1.00 0.00 C ATOM 0 HA VAL A 28 0.877 -13.497 -10.328 1.00 0.00 H new ATOM 0 HB VAL A 28 0.297 -15.629 -9.280 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -0.864 -17.399 -10.533 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -1.912 -15.994 -10.222 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -1.207 -16.238 -11.838 1.00 0.00 H new ATOM 0 HG21 VAL A 28 1.550 -17.126 -10.800 1.00 0.00 H new ATOM 0 HG22 VAL A 28 1.351 -15.940 -12.112 1.00 0.00 H new ATOM 0 HG23 VAL A 28 2.305 -15.519 -10.670 1.00 0.00 H new ATOM 367 N ASP A 29 -1.402 -13.884 -12.668 1.00 0.00 N ATOM 368 CA ASP A 29 -1.681 -13.783 -14.101 1.00 0.00 C ATOM 369 C ASP A 29 -1.306 -12.407 -14.631 1.00 0.00 C ATOM 370 O ASP A 29 -0.685 -12.286 -15.687 1.00 0.00 O ATOM 371 CB ASP A 29 -3.160 -14.066 -14.387 1.00 0.00 C ATOM 372 CG ASP A 29 -3.488 -13.982 -15.864 1.00 0.00 C ATOM 373 OD1 ASP A 29 -3.283 -14.986 -16.581 1.00 0.00 O ATOM 374 OD2 ASP A 29 -3.949 -12.913 -16.319 1.00 0.00 O ATOM 0 H ASP A 29 -2.231 -14.022 -12.090 1.00 0.00 H new ATOM 0 HA ASP A 29 -1.074 -14.531 -14.612 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -3.416 -15.059 -14.017 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -3.776 -13.353 -13.839 1.00 0.00 H new ATOM 379 N ARG A 30 -1.688 -11.379 -13.884 1.00 0.00 N ATOM 380 CA ARG A 30 -1.364 -9.996 -14.225 1.00 0.00 C ATOM 381 C ARG A 30 0.139 -9.826 -14.418 1.00 0.00 C ATOM 382 O ARG A 30 0.596 -9.231 -15.399 1.00 0.00 O ATOM 383 CB ARG A 30 -1.857 -9.078 -13.103 1.00 0.00 C ATOM 384 CG ARG A 30 -1.688 -7.593 -13.375 1.00 0.00 C ATOM 385 CD ARG A 30 -2.222 -6.778 -12.208 1.00 0.00 C ATOM 386 NE ARG A 30 -2.276 -5.343 -12.496 1.00 0.00 N ATOM 387 CZ ARG A 30 -3.183 -4.517 -11.976 1.00 0.00 C ATOM 388 NH1 ARG A 30 -4.139 -4.992 -11.185 1.00 0.00 N ATOM 389 NH2 ARG A 30 -3.141 -3.220 -12.268 1.00 0.00 N ATOM 0 H ARG A 30 -2.230 -11.478 -13.026 1.00 0.00 H new ATOM 0 HA ARG A 30 -1.857 -9.733 -15.161 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -2.912 -9.282 -12.923 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -1.323 -9.328 -12.186 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -0.635 -7.364 -13.536 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -2.216 -7.321 -14.289 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -3.221 -7.130 -11.952 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -1.591 -6.945 -11.335 1.00 0.00 H new ATOM 0 HE ARG A 30 -1.579 -4.954 -13.131 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -4.179 -5.989 -10.976 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -4.833 -4.359 -10.787 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -2.416 -2.860 -12.889 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -3.834 -2.585 -11.871 1.00 0.00 H new ATOM 403 N ARG A 31 0.903 -10.376 -13.488 1.00 0.00 N ATOM 404 CA ARG A 31 2.349 -10.247 -13.510 1.00 0.00 C ATOM 405 C ARG A 31 2.960 -11.053 -14.658 1.00 0.00 C ATOM 406 O ARG A 31 3.752 -10.522 -15.444 1.00 0.00 O ATOM 407 CB ARG A 31 2.924 -10.686 -12.158 1.00 0.00 C ATOM 408 CG ARG A 31 4.441 -10.648 -12.078 1.00 0.00 C ATOM 409 CD ARG A 31 5.034 -12.043 -12.195 1.00 0.00 C ATOM 410 NE ARG A 31 4.590 -12.919 -11.108 1.00 0.00 N ATOM 411 CZ ARG A 31 5.058 -14.151 -10.900 1.00 0.00 C ATOM 412 NH1 ARG A 31 5.944 -14.680 -11.736 1.00 0.00 N ATOM 413 NH2 ARG A 31 4.621 -14.859 -9.867 1.00 0.00 N ATOM 0 H ARG A 31 0.542 -10.919 -12.704 1.00 0.00 H new ATOM 0 HA ARG A 31 2.606 -9.201 -13.680 1.00 0.00 H new ATOM 0 HB2 ARG A 31 2.515 -10.044 -11.378 1.00 0.00 H new ATOM 0 HB3 ARG A 31 2.587 -11.700 -11.946 1.00 0.00 H new ATOM 0 HG2 ARG A 31 4.834 -10.015 -12.874 1.00 0.00 H new ATOM 0 HG3 ARG A 31 4.747 -10.198 -11.133 1.00 0.00 H new ATOM 0 HD2 ARG A 31 4.749 -12.479 -13.152 1.00 0.00 H new ATOM 0 HD3 ARG A 31 6.122 -11.977 -12.186 1.00 0.00 H new ATOM 0 HE ARG A 31 3.878 -12.565 -10.470 1.00 0.00 H new ATOM 0 HH11 ARG A 31 6.269 -14.144 -12.541 1.00 0.00 H new ATOM 0 HH12 ARG A 31 6.299 -15.622 -11.573 1.00 0.00 H new ATOM 0 HH21 ARG A 31 3.928 -14.461 -9.233 1.00 0.00 H new ATOM 0 HH22 ARG A 31 4.978 -15.801 -9.707 1.00 0.00 H new ATOM 427 N ILE A 32 2.598 -12.331 -14.755 1.00 0.00 N ATOM 428 CA ILE A 32 3.142 -13.197 -15.797 1.00 0.00 C ATOM 429 C ILE A 32 2.757 -12.700 -17.198 1.00 0.00 C ATOM 430 O ILE A 32 3.549 -12.799 -18.136 1.00 0.00 O ATOM 431 CB ILE A 32 2.724 -14.683 -15.610 1.00 0.00 C ATOM 432 CG1 ILE A 32 3.459 -15.576 -16.613 1.00 0.00 C ATOM 433 CG2 ILE A 32 1.219 -14.856 -15.748 1.00 0.00 C ATOM 434 CD1 ILE A 32 3.187 -17.053 -16.429 1.00 0.00 C ATOM 0 H ILE A 32 1.934 -12.787 -14.129 1.00 0.00 H new ATOM 0 HA ILE A 32 4.227 -13.150 -15.702 1.00 0.00 H new ATOM 0 HB ILE A 32 3.004 -14.984 -14.601 1.00 0.00 H new ATOM 0 HG12 ILE A 32 3.170 -15.286 -17.623 1.00 0.00 H new ATOM 0 HG13 ILE A 32 4.531 -15.400 -16.525 1.00 0.00 H new ATOM 0 HG21 ILE A 32 0.959 -15.906 -15.612 1.00 0.00 H new ATOM 0 HG22 ILE A 32 0.713 -14.256 -14.992 1.00 0.00 H new ATOM 0 HG23 ILE A 32 0.905 -14.530 -16.740 1.00 0.00 H new ATOM 0 HD11 ILE A 32 3.742 -17.621 -17.176 1.00 0.00 H new ATOM 0 HD12 ILE A 32 3.502 -17.360 -15.432 1.00 0.00 H new ATOM 0 HD13 ILE A 32 2.120 -17.244 -16.547 1.00 0.00 H new ATOM 446 N LYS A 33 1.551 -12.147 -17.334 1.00 0.00 N ATOM 447 CA LYS A 33 1.086 -11.615 -18.615 1.00 0.00 C ATOM 448 C LYS A 33 1.993 -10.488 -19.096 1.00 0.00 C ATOM 449 O LYS A 33 2.433 -10.482 -20.245 1.00 0.00 O ATOM 450 CB LYS A 33 -0.360 -11.116 -18.508 1.00 0.00 C ATOM 451 CG LYS A 33 -0.894 -10.473 -19.783 1.00 0.00 C ATOM 452 CD LYS A 33 -0.957 -11.459 -20.943 1.00 0.00 C ATOM 453 CE LYS A 33 -2.067 -12.485 -20.765 1.00 0.00 C ATOM 454 NZ LYS A 33 -3.417 -11.860 -20.750 1.00 0.00 N ATOM 0 H LYS A 33 0.879 -12.056 -16.572 1.00 0.00 H new ATOM 0 HA LYS A 33 1.121 -12.425 -19.343 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -1.003 -11.954 -18.240 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -0.424 -10.393 -17.695 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -1.890 -10.071 -19.596 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -0.257 -9.632 -20.058 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -1.115 -10.913 -21.873 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -0.000 -11.973 -21.033 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -2.016 -13.215 -21.572 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -1.910 -13.028 -19.833 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -4.140 -12.592 -20.899 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -3.576 -11.399 -19.831 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -3.480 -11.151 -21.509 1.00 0.00 H new ATOM 468 N LYS A 34 2.267 -9.530 -18.213 1.00 0.00 N ATOM 469 CA LYS A 34 3.158 -8.426 -18.555 1.00 0.00 C ATOM 470 C LYS A 34 4.562 -8.923 -18.888 1.00 0.00 C ATOM 471 O LYS A 34 5.267 -8.310 -19.681 1.00 0.00 O ATOM 472 CB LYS A 34 3.195 -7.382 -17.437 1.00 0.00 C ATOM 473 CG LYS A 34 1.908 -6.574 -17.334 1.00 0.00 C ATOM 474 CD LYS A 34 1.561 -5.923 -18.668 1.00 0.00 C ATOM 475 CE LYS A 34 0.243 -5.165 -18.609 1.00 0.00 C ATOM 476 NZ LYS A 34 0.328 -3.938 -17.774 1.00 0.00 N ATOM 0 H LYS A 34 1.889 -9.496 -17.266 1.00 0.00 H new ATOM 0 HA LYS A 34 2.759 -7.947 -19.449 1.00 0.00 H new ATOM 0 HB2 LYS A 34 3.380 -7.882 -16.486 1.00 0.00 H new ATOM 0 HB3 LYS A 34 4.031 -6.704 -17.609 1.00 0.00 H new ATOM 0 HG2 LYS A 34 1.091 -7.224 -17.019 1.00 0.00 H new ATOM 0 HG3 LYS A 34 2.017 -5.806 -16.568 1.00 0.00 H new ATOM 0 HD2 LYS A 34 2.359 -5.239 -18.956 1.00 0.00 H new ATOM 0 HD3 LYS A 34 1.504 -6.689 -19.441 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -0.061 -4.892 -19.620 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -0.531 -5.820 -18.209 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -0.595 -3.459 -17.766 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 0.591 -4.197 -16.802 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 1.047 -3.299 -18.169 1.00 0.00 H new ATOM 490 N HIS A 35 4.962 -10.044 -18.292 1.00 0.00 N ATOM 491 CA HIS A 35 6.232 -10.676 -18.638 1.00 0.00 C ATOM 492 C HIS A 35 6.164 -11.276 -20.040 1.00 0.00 C ATOM 493 O HIS A 35 7.081 -11.109 -20.844 1.00 0.00 O ATOM 494 CB HIS A 35 6.589 -11.770 -17.630 1.00 0.00 C ATOM 495 CG HIS A 35 7.380 -11.292 -16.450 1.00 0.00 C ATOM 496 ND1 HIS A 35 8.685 -11.670 -16.231 1.00 0.00 N ATOM 497 CD2 HIS A 35 7.041 -10.490 -15.410 1.00 0.00 C ATOM 498 CE1 HIS A 35 9.119 -11.124 -15.112 1.00 0.00 C ATOM 499 NE2 HIS A 35 8.143 -10.399 -14.594 1.00 0.00 N ATOM 0 H HIS A 35 4.429 -10.531 -17.572 1.00 0.00 H new ATOM 0 HA HIS A 35 7.006 -9.909 -18.612 1.00 0.00 H new ATOM 0 HB2 HIS A 35 5.669 -12.231 -17.272 1.00 0.00 H new ATOM 0 HB3 HIS A 35 7.157 -12.547 -18.142 1.00 0.00 H new ATOM 0 HD2 HIS A 35 6.085 -10.013 -15.253 1.00 0.00 H new ATOM 0 HE1 HIS A 35 10.105 -11.248 -14.690 1.00 0.00 H new ATOM 0 HE2 HIS A 35 8.199 -9.860 -13.730 1.00 0.00 H new ATOM 508 N ALA A 36 5.075 -11.982 -20.311 1.00 0.00 N ATOM 509 CA ALA A 36 4.866 -12.633 -21.597 1.00 0.00 C ATOM 510 C ALA A 36 4.817 -11.630 -22.748 1.00 0.00 C ATOM 511 O ALA A 36 5.604 -11.713 -23.693 1.00 0.00 O ATOM 512 CB ALA A 36 3.587 -13.460 -21.558 1.00 0.00 C ATOM 0 H ALA A 36 4.313 -12.120 -19.647 1.00 0.00 H new ATOM 0 HA ALA A 36 5.717 -13.289 -21.778 1.00 0.00 H new ATOM 0 HB1 ALA A 36 3.437 -13.944 -22.523 1.00 0.00 H new ATOM 0 HB2 ALA A 36 3.668 -14.219 -20.780 1.00 0.00 H new ATOM 0 HB3 ALA A 36 2.739 -12.809 -21.343 1.00 0.00 H new ATOM 518 N SER A 37 3.891 -10.679 -22.667 1.00 0.00 N ATOM 519 CA SER A 37 3.674 -9.737 -23.762 1.00 0.00 C ATOM 520 C SER A 37 4.617 -8.535 -23.685 1.00 0.00 C ATOM 521 O SER A 37 5.262 -8.182 -24.675 1.00 0.00 O ATOM 522 CB SER A 37 2.220 -9.259 -23.755 1.00 0.00 C ATOM 523 OG SER A 37 1.325 -10.359 -23.827 1.00 0.00 O ATOM 0 H SER A 37 3.282 -10.540 -21.861 1.00 0.00 H new ATOM 0 HA SER A 37 3.888 -10.261 -24.693 1.00 0.00 H new ATOM 0 HB2 SER A 37 2.026 -8.686 -22.849 1.00 0.00 H new ATOM 0 HB3 SER A 37 2.049 -8.590 -24.598 1.00 0.00 H new ATOM 0 HG SER A 37 0.402 -10.031 -23.819 1.00 0.00 H new ATOM 708 N PHE A 50 -1.470 9.977 -11.285 1.00 0.00 N ATOM 709 CA PHE A 50 -0.928 9.174 -10.203 1.00 0.00 C ATOM 710 C PHE A 50 0.563 9.421 -10.022 1.00 0.00 C ATOM 711 O PHE A 50 1.316 9.528 -10.992 1.00 0.00 O ATOM 712 CB PHE A 50 -1.188 7.679 -10.451 1.00 0.00 C ATOM 713 CG PHE A 50 -0.415 7.088 -11.601 1.00 0.00 C ATOM 714 CD1 PHE A 50 -0.861 7.235 -12.904 1.00 0.00 C ATOM 715 CD2 PHE A 50 0.756 6.381 -11.375 1.00 0.00 C ATOM 716 CE1 PHE A 50 -0.153 6.692 -13.961 1.00 0.00 C ATOM 717 CE2 PHE A 50 1.467 5.834 -12.428 1.00 0.00 C ATOM 718 CZ PHE A 50 1.013 5.990 -13.721 1.00 0.00 C ATOM 0 HA PHE A 50 -1.437 9.473 -9.287 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -0.943 7.126 -9.544 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -2.253 7.535 -10.634 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -1.773 7.780 -13.097 1.00 0.00 H new ATOM 0 HD2 PHE A 50 1.117 6.256 -10.365 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -0.511 6.816 -14.972 1.00 0.00 H new ATOM 0 HE2 PHE A 50 2.377 5.285 -12.238 1.00 0.00 H new ATOM 0 HZ PHE A 50 1.568 5.564 -14.544 1.00 0.00 H new ATOM 728 N ARG A 51 0.971 9.544 -8.775 1.00 0.00 N ATOM 729 CA ARG A 51 2.374 9.575 -8.433 1.00 0.00 C ATOM 730 C ARG A 51 2.711 8.304 -7.671 1.00 0.00 C ATOM 731 O ARG A 51 2.303 8.137 -6.520 1.00 0.00 O ATOM 732 CB ARG A 51 2.706 10.808 -7.585 1.00 0.00 C ATOM 733 CG ARG A 51 4.201 11.060 -7.445 1.00 0.00 C ATOM 734 CD ARG A 51 4.817 11.492 -8.771 1.00 0.00 C ATOM 735 NE ARG A 51 4.440 12.863 -9.135 1.00 0.00 N ATOM 736 CZ ARG A 51 3.550 13.182 -10.080 1.00 0.00 C ATOM 737 NH1 ARG A 51 2.925 12.230 -10.766 1.00 0.00 N ATOM 738 NH2 ARG A 51 3.286 14.456 -10.338 1.00 0.00 N ATOM 0 H ARG A 51 0.342 9.625 -7.976 1.00 0.00 H new ATOM 0 HA ARG A 51 2.968 9.635 -9.345 1.00 0.00 H new ATOM 0 HB2 ARG A 51 2.238 11.685 -8.032 1.00 0.00 H new ATOM 0 HB3 ARG A 51 2.271 10.686 -6.593 1.00 0.00 H new ATOM 0 HG2 ARG A 51 4.373 11.831 -6.694 1.00 0.00 H new ATOM 0 HG3 ARG A 51 4.693 10.154 -7.091 1.00 0.00 H new ATOM 0 HD2 ARG A 51 5.903 11.420 -8.706 1.00 0.00 H new ATOM 0 HD3 ARG A 51 4.499 10.808 -9.558 1.00 0.00 H new ATOM 0 HE ARG A 51 4.889 13.627 -8.631 1.00 0.00 H new ATOM 0 HH11 ARG A 51 3.123 11.248 -10.573 1.00 0.00 H new ATOM 0 HH12 ARG A 51 2.247 12.481 -11.486 1.00 0.00 H new ATOM 0 HH21 ARG A 51 3.762 15.191 -9.815 1.00 0.00 H new ATOM 0 HH22 ARG A 51 2.607 14.700 -11.059 1.00 0.00 H new ATOM 752 N LEU A 52 3.406 7.388 -8.329 1.00 0.00 N ATOM 753 CA LEU A 52 3.766 6.123 -7.704 1.00 0.00 C ATOM 754 C LEU A 52 4.806 6.361 -6.621 1.00 0.00 C ATOM 755 O LEU A 52 5.970 6.641 -6.915 1.00 0.00 O ATOM 756 CB LEU A 52 4.294 5.131 -8.744 1.00 0.00 C ATOM 757 CG LEU A 52 4.619 3.733 -8.203 1.00 0.00 C ATOM 758 CD1 LEU A 52 3.367 3.072 -7.647 1.00 0.00 C ATOM 759 CD2 LEU A 52 5.239 2.869 -9.294 1.00 0.00 C ATOM 0 H LEU A 52 3.731 7.495 -9.290 1.00 0.00 H new ATOM 0 HA LEU A 52 2.873 5.692 -7.252 1.00 0.00 H new ATOM 0 HB2 LEU A 52 3.554 5.033 -9.539 1.00 0.00 H new ATOM 0 HB3 LEU A 52 5.194 5.547 -9.196 1.00 0.00 H new ATOM 0 HG LEU A 52 5.342 3.837 -7.394 1.00 0.00 H new ATOM 0 HD11 LEU A 52 3.617 2.081 -7.268 1.00 0.00 H new ATOM 0 HD12 LEU A 52 2.964 3.680 -6.837 1.00 0.00 H new ATOM 0 HD13 LEU A 52 2.622 2.981 -8.437 1.00 0.00 H new ATOM 0 HD21 LEU A 52 5.463 1.881 -8.892 1.00 0.00 H new ATOM 0 HD22 LEU A 52 4.539 2.773 -10.124 1.00 0.00 H new ATOM 0 HD23 LEU A 52 6.159 3.334 -9.647 1.00 0.00 H new ATOM 771 N VAL A 53 4.372 6.281 -5.372 1.00 0.00 N ATOM 772 CA VAL A 53 5.255 6.520 -4.246 1.00 0.00 C ATOM 773 C VAL A 53 6.084 5.274 -3.955 1.00 0.00 C ATOM 774 O VAL A 53 7.312 5.308 -4.010 1.00 0.00 O ATOM 775 CB VAL A 53 4.469 6.933 -2.983 1.00 0.00 C ATOM 776 CG1 VAL A 53 5.411 7.294 -1.844 1.00 0.00 C ATOM 777 CG2 VAL A 53 3.534 8.092 -3.291 1.00 0.00 C ATOM 0 H VAL A 53 3.412 6.052 -5.115 1.00 0.00 H new ATOM 0 HA VAL A 53 5.917 7.344 -4.514 1.00 0.00 H new ATOM 0 HB VAL A 53 3.870 6.079 -2.666 1.00 0.00 H new ATOM 0 HG11 VAL A 53 4.829 7.581 -0.968 1.00 0.00 H new ATOM 0 HG12 VAL A 53 6.034 6.433 -1.600 1.00 0.00 H new ATOM 0 HG13 VAL A 53 6.046 8.127 -2.147 1.00 0.00 H new ATOM 0 HG21 VAL A 53 2.989 8.369 -2.389 1.00 0.00 H new ATOM 0 HG22 VAL A 53 4.115 8.945 -3.640 1.00 0.00 H new ATOM 0 HG23 VAL A 53 2.827 7.793 -4.065 1.00 0.00 H new ATOM 787 N ALA A 54 5.411 4.170 -3.670 1.00 0.00 N ATOM 788 CA ALA A 54 6.098 2.931 -3.351 1.00 0.00 C ATOM 789 C ALA A 54 5.226 1.726 -3.648 1.00 0.00 C ATOM 790 O ALA A 54 4.012 1.852 -3.821 1.00 0.00 O ATOM 791 CB ALA A 54 6.525 2.916 -1.890 1.00 0.00 C ATOM 0 H ALA A 54 4.393 4.108 -3.653 1.00 0.00 H new ATOM 0 HA ALA A 54 6.986 2.874 -3.981 1.00 0.00 H new ATOM 0 HB1 ALA A 54 7.038 1.980 -1.670 1.00 0.00 H new ATOM 0 HB2 ALA A 54 7.198 3.752 -1.699 1.00 0.00 H new ATOM 0 HB3 ALA A 54 5.645 3.006 -1.253 1.00 0.00 H new ATOM 797 N THR A 55 5.859 0.566 -3.723 1.00 0.00 N ATOM 798 CA THR A 55 5.164 -0.688 -3.945 1.00 0.00 C ATOM 799 C THR A 55 5.913 -1.825 -3.252 1.00 0.00 C ATOM 800 O THR A 55 7.079 -2.087 -3.550 1.00 0.00 O ATOM 801 CB THR A 55 5.034 -0.996 -5.451 1.00 0.00 C ATOM 802 OG1 THR A 55 4.377 0.092 -6.112 1.00 0.00 O ATOM 803 CG2 THR A 55 4.249 -2.278 -5.681 1.00 0.00 C ATOM 0 H THR A 55 6.870 0.469 -3.631 1.00 0.00 H new ATOM 0 HA THR A 55 4.162 -0.598 -3.526 1.00 0.00 H new ATOM 0 HB THR A 55 6.036 -1.127 -5.860 1.00 0.00 H new ATOM 0 HG1 THR A 55 4.298 -0.106 -7.068 1.00 0.00 H new ATOM 0 HG21 THR A 55 4.173 -2.471 -6.751 1.00 0.00 H new ATOM 0 HG22 THR A 55 4.761 -3.110 -5.198 1.00 0.00 H new ATOM 0 HG23 THR A 55 3.249 -2.173 -5.259 1.00 0.00 H new ATOM 811 N TRP A 56 5.244 -2.476 -2.314 1.00 0.00 N ATOM 812 CA TRP A 56 5.847 -3.566 -1.563 1.00 0.00 C ATOM 813 C TRP A 56 5.300 -4.911 -2.037 1.00 0.00 C ATOM 814 O TRP A 56 4.087 -5.103 -2.113 1.00 0.00 O ATOM 815 CB TRP A 56 5.570 -3.387 -0.072 1.00 0.00 C ATOM 816 CG TRP A 56 6.172 -2.144 0.518 1.00 0.00 C ATOM 817 CD1 TRP A 56 7.424 -2.012 1.044 1.00 0.00 C ATOM 818 CD2 TRP A 56 5.543 -0.864 0.651 1.00 0.00 C ATOM 819 NE1 TRP A 56 7.613 -0.728 1.492 1.00 0.00 N ATOM 820 CE2 TRP A 56 6.475 -0.004 1.262 1.00 0.00 C ATOM 821 CE3 TRP A 56 4.284 -0.357 0.311 1.00 0.00 C ATOM 822 CZ2 TRP A 56 6.189 1.327 1.541 1.00 0.00 C ATOM 823 CZ3 TRP A 56 4.003 0.968 0.589 1.00 0.00 C ATOM 824 CH2 TRP A 56 4.951 1.797 1.196 1.00 0.00 C ATOM 0 H TRP A 56 4.280 -2.268 -2.054 1.00 0.00 H new ATOM 0 HA TRP A 56 6.924 -3.550 -1.732 1.00 0.00 H new ATOM 0 HB2 TRP A 56 4.492 -3.366 0.086 1.00 0.00 H new ATOM 0 HB3 TRP A 56 5.954 -4.254 0.465 1.00 0.00 H new ATOM 0 HD1 TRP A 56 8.159 -2.802 1.100 1.00 0.00 H new ATOM 0 HE1 TRP A 56 8.464 -0.371 1.926 1.00 0.00 H new ATOM 0 HE3 TRP A 56 3.545 -0.989 -0.160 1.00 0.00 H new ATOM 0 HZ2 TRP A 56 6.918 1.968 2.014 1.00 0.00 H new ATOM 0 HZ3 TRP A 56 3.034 1.370 0.333 1.00 0.00 H new ATOM 0 HH2 TRP A 56 4.701 2.828 1.397 1.00 0.00 H new ATOM 835 N ALA A 57 6.196 -5.835 -2.352 1.00 0.00 N ATOM 836 CA ALA A 57 5.806 -7.148 -2.840 1.00 0.00 C ATOM 837 C ALA A 57 6.053 -8.213 -1.781 1.00 0.00 C ATOM 838 O ALA A 57 7.169 -8.349 -1.277 1.00 0.00 O ATOM 839 CB ALA A 57 6.565 -7.482 -4.114 1.00 0.00 C ATOM 0 H ALA A 57 7.204 -5.697 -2.277 1.00 0.00 H new ATOM 0 HA ALA A 57 4.739 -7.129 -3.062 1.00 0.00 H new ATOM 0 HB1 ALA A 57 6.264 -8.468 -4.469 1.00 0.00 H new ATOM 0 HB2 ALA A 57 6.340 -6.737 -4.877 1.00 0.00 H new ATOM 0 HB3 ALA A 57 7.636 -7.481 -3.910 1.00 0.00 H new ATOM 845 N PHE A 58 5.009 -8.956 -1.445 1.00 0.00 N ATOM 846 CA PHE A 58 5.107 -10.007 -0.439 1.00 0.00 C ATOM 847 C PHE A 58 4.448 -11.287 -0.935 1.00 0.00 C ATOM 848 O PHE A 58 3.294 -11.272 -1.363 1.00 0.00 O ATOM 849 CB PHE A 58 4.454 -9.569 0.875 1.00 0.00 C ATOM 850 CG PHE A 58 5.079 -8.344 1.480 1.00 0.00 C ATOM 851 CD1 PHE A 58 6.326 -8.411 2.087 1.00 0.00 C ATOM 852 CD2 PHE A 58 4.425 -7.125 1.440 1.00 0.00 C ATOM 853 CE1 PHE A 58 6.905 -7.286 2.640 1.00 0.00 C ATOM 854 CE2 PHE A 58 5.000 -5.997 1.991 1.00 0.00 C ATOM 855 CZ PHE A 58 6.242 -6.078 2.591 1.00 0.00 C ATOM 0 H PHE A 58 4.081 -8.851 -1.855 1.00 0.00 H new ATOM 0 HA PHE A 58 6.165 -10.197 -0.259 1.00 0.00 H new ATOM 0 HB2 PHE A 58 3.396 -9.377 0.698 1.00 0.00 H new ATOM 0 HB3 PHE A 58 4.514 -10.388 1.591 1.00 0.00 H new ATOM 0 HD1 PHE A 58 6.850 -9.355 2.127 1.00 0.00 H new ATOM 0 HD2 PHE A 58 3.454 -7.055 0.973 1.00 0.00 H new ATOM 0 HE1 PHE A 58 7.875 -7.352 3.110 1.00 0.00 H new ATOM 0 HE2 PHE A 58 4.479 -5.052 1.953 1.00 0.00 H new ATOM 0 HZ PHE A 58 6.693 -5.196 3.021 1.00 0.00 H new ATOM 865 N PRO A 59 5.179 -12.409 -0.879 1.00 0.00 N ATOM 866 CA PRO A 59 4.686 -13.707 -1.328 1.00 0.00 C ATOM 867 C PRO A 59 4.047 -14.521 -0.204 1.00 0.00 C ATOM 868 O PRO A 59 3.940 -15.748 -0.298 1.00 0.00 O ATOM 869 CB PRO A 59 5.967 -14.378 -1.808 1.00 0.00 C ATOM 870 CG PRO A 59 7.038 -13.855 -0.901 1.00 0.00 C ATOM 871 CD PRO A 59 6.572 -12.505 -0.399 1.00 0.00 C ATOM 0 HA PRO A 59 3.901 -13.621 -2.080 1.00 0.00 H new ATOM 0 HB2 PRO A 59 5.892 -15.464 -1.746 1.00 0.00 H new ATOM 0 HB3 PRO A 59 6.176 -14.132 -2.849 1.00 0.00 H new ATOM 0 HG2 PRO A 59 7.207 -14.539 -0.069 1.00 0.00 H new ATOM 0 HG3 PRO A 59 7.984 -13.763 -1.434 1.00 0.00 H new ATOM 0 HD2 PRO A 59 6.625 -12.443 0.688 1.00 0.00 H new ATOM 0 HD3 PRO A 59 7.188 -11.697 -0.795 1.00 0.00 H new ATOM 879 N SER A 60 3.620 -13.838 0.850 1.00 0.00 N ATOM 880 CA SER A 60 3.053 -14.504 2.013 1.00 0.00 C ATOM 881 C SER A 60 1.620 -14.048 2.260 1.00 0.00 C ATOM 882 O SER A 60 1.308 -12.861 2.153 1.00 0.00 O ATOM 883 CB SER A 60 3.908 -14.218 3.246 1.00 0.00 C ATOM 884 OG SER A 60 5.264 -14.567 3.013 1.00 0.00 O ATOM 0 H SER A 60 3.656 -12.821 0.923 1.00 0.00 H new ATOM 0 HA SER A 60 3.043 -15.577 1.820 1.00 0.00 H new ATOM 0 HB2 SER A 60 3.839 -13.161 3.504 1.00 0.00 H new ATOM 0 HB3 SER A 60 3.525 -14.780 4.098 1.00 0.00 H new ATOM 0 HG SER A 60 5.794 -14.374 3.815 1.00 0.00 H new ATOM 890 N LYS A 61 0.762 -15.002 2.603 1.00 0.00 N ATOM 891 CA LYS A 61 -0.655 -14.741 2.836 1.00 0.00 C ATOM 892 C LYS A 61 -0.866 -13.745 3.972 1.00 0.00 C ATOM 893 O LYS A 61 -1.491 -12.700 3.776 1.00 0.00 O ATOM 894 CB LYS A 61 -1.379 -16.048 3.162 1.00 0.00 C ATOM 895 CG LYS A 61 -2.853 -15.872 3.498 1.00 0.00 C ATOM 896 CD LYS A 61 -3.473 -17.182 3.960 1.00 0.00 C ATOM 897 CE LYS A 61 -3.432 -18.244 2.873 1.00 0.00 C ATOM 898 NZ LYS A 61 -4.403 -17.965 1.786 1.00 0.00 N ATOM 0 H LYS A 61 1.028 -15.979 2.728 1.00 0.00 H new ATOM 0 HA LYS A 61 -1.065 -14.306 1.924 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -1.289 -16.723 2.311 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -0.880 -16.528 4.004 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -2.963 -15.119 4.279 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -3.387 -15.503 2.622 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -2.943 -17.544 4.841 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -4.507 -17.009 4.259 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -2.426 -18.297 2.456 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -3.648 -19.219 3.310 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -4.354 -18.722 1.074 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -5.364 -17.923 2.181 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -4.172 -17.055 1.339 1.00 0.00 H new ATOM 912 N GLU A 62 -0.349 -14.074 5.158 1.00 0.00 N ATOM 913 CA GLU A 62 -0.545 -13.233 6.334 1.00 0.00 C ATOM 914 C GLU A 62 -0.002 -11.834 6.093 1.00 0.00 C ATOM 915 O GLU A 62 -0.679 -10.846 6.359 1.00 0.00 O ATOM 916 CB GLU A 62 0.141 -13.825 7.564 1.00 0.00 C ATOM 917 CG GLU A 62 -0.212 -13.085 8.842 1.00 0.00 C ATOM 918 CD GLU A 62 0.804 -13.283 9.942 1.00 0.00 C ATOM 919 OE1 GLU A 62 0.755 -14.322 10.626 1.00 0.00 O ATOM 920 OE2 GLU A 62 1.643 -12.384 10.142 1.00 0.00 O ATOM 0 H GLU A 62 0.206 -14.913 5.326 1.00 0.00 H new ATOM 0 HA GLU A 62 -1.619 -13.183 6.516 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -0.143 -14.873 7.665 1.00 0.00 H new ATOM 0 HB3 GLU A 62 1.221 -13.800 7.420 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -0.301 -12.020 8.625 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -1.188 -13.422 9.192 1.00 0.00 H new ATOM 927 N GLU A 63 1.220 -11.767 5.579 1.00 0.00 N ATOM 928 CA GLU A 63 1.875 -10.496 5.315 1.00 0.00 C ATOM 929 C GLU A 63 1.015 -9.640 4.387 1.00 0.00 C ATOM 930 O GLU A 63 0.796 -8.460 4.643 1.00 0.00 O ATOM 931 CB GLU A 63 3.246 -10.740 4.686 1.00 0.00 C ATOM 932 CG GLU A 63 4.148 -9.521 4.698 1.00 0.00 C ATOM 933 CD GLU A 63 4.560 -9.116 6.098 1.00 0.00 C ATOM 934 OE1 GLU A 63 5.416 -9.801 6.694 1.00 0.00 O ATOM 935 OE2 GLU A 63 4.045 -8.101 6.610 1.00 0.00 O ATOM 0 H GLU A 63 1.779 -12.585 5.336 1.00 0.00 H new ATOM 0 HA GLU A 63 2.006 -9.963 6.257 1.00 0.00 H new ATOM 0 HB2 GLU A 63 3.741 -11.552 5.218 1.00 0.00 H new ATOM 0 HB3 GLU A 63 3.110 -11.070 3.656 1.00 0.00 H new ATOM 0 HG2 GLU A 63 5.040 -9.727 4.106 1.00 0.00 H new ATOM 0 HG3 GLU A 63 3.633 -8.688 4.219 1.00 0.00 H new ATOM 942 N ALA A 64 0.512 -10.262 3.327 1.00 0.00 N ATOM 943 CA ALA A 64 -0.330 -9.582 2.354 1.00 0.00 C ATOM 944 C ALA A 64 -1.614 -9.071 2.994 1.00 0.00 C ATOM 945 O ALA A 64 -1.960 -7.888 2.871 1.00 0.00 O ATOM 946 CB ALA A 64 -0.659 -10.527 1.205 1.00 0.00 C ATOM 0 H ALA A 64 0.676 -11.247 3.120 1.00 0.00 H new ATOM 0 HA ALA A 64 0.220 -8.722 1.971 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -1.289 -10.012 0.480 1.00 0.00 H new ATOM 0 HB2 ALA A 64 0.264 -10.847 0.721 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -1.187 -11.399 1.591 1.00 0.00 H new ATOM 952 N MET A 65 -2.304 -9.976 3.680 1.00 0.00 N ATOM 953 CA MET A 65 -3.590 -9.683 4.299 1.00 0.00 C ATOM 954 C MET A 65 -3.441 -8.619 5.380 1.00 0.00 C ATOM 955 O MET A 65 -4.191 -7.638 5.411 1.00 0.00 O ATOM 956 CB MET A 65 -4.162 -10.970 4.901 1.00 0.00 C ATOM 957 CG MET A 65 -5.570 -10.829 5.453 1.00 0.00 C ATOM 958 SD MET A 65 -6.136 -12.327 6.289 1.00 0.00 S ATOM 959 CE MET A 65 -5.975 -13.542 4.975 1.00 0.00 C ATOM 0 H MET A 65 -1.986 -10.935 3.822 1.00 0.00 H new ATOM 0 HA MET A 65 -4.270 -9.298 3.539 1.00 0.00 H new ATOM 0 HB2 MET A 65 -4.160 -11.747 4.137 1.00 0.00 H new ATOM 0 HB3 MET A 65 -3.503 -11.308 5.701 1.00 0.00 H new ATOM 0 HG2 MET A 65 -5.601 -9.993 6.151 1.00 0.00 H new ATOM 0 HG3 MET A 65 -6.254 -10.590 4.639 1.00 0.00 H new ATOM 0 HE1 MET A 65 -6.569 -14.422 5.219 1.00 0.00 H new ATOM 0 HE2 MET A 65 -6.329 -13.113 4.038 1.00 0.00 H new ATOM 0 HE3 MET A 65 -4.929 -13.828 4.870 1.00 0.00 H new ATOM 969 N ARG A 66 -2.456 -8.817 6.245 1.00 0.00 N ATOM 970 CA ARG A 66 -2.202 -7.913 7.358 1.00 0.00 C ATOM 971 C ARG A 66 -1.775 -6.536 6.869 1.00 0.00 C ATOM 972 O ARG A 66 -2.252 -5.524 7.374 1.00 0.00 O ATOM 973 CB ARG A 66 -1.128 -8.499 8.283 1.00 0.00 C ATOM 974 CG ARG A 66 -0.551 -7.494 9.265 1.00 0.00 C ATOM 975 CD ARG A 66 0.542 -8.108 10.122 1.00 0.00 C ATOM 976 NE ARG A 66 0.007 -8.915 11.218 1.00 0.00 N ATOM 977 CZ ARG A 66 0.221 -8.645 12.506 1.00 0.00 C ATOM 978 NH1 ARG A 66 0.930 -7.577 12.856 1.00 0.00 N ATOM 979 NH2 ARG A 66 -0.268 -9.441 13.445 1.00 0.00 N ATOM 0 H ARG A 66 -1.812 -9.607 6.195 1.00 0.00 H new ATOM 0 HA ARG A 66 -3.132 -7.800 7.915 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -1.556 -9.332 8.840 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -0.319 -8.904 7.675 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -0.149 -6.641 8.718 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -1.346 -7.115 9.907 1.00 0.00 H new ATOM 0 HD2 ARG A 66 1.183 -8.729 9.497 1.00 0.00 H new ATOM 0 HD3 ARG A 66 1.168 -7.315 10.531 1.00 0.00 H new ATOM 0 HE ARG A 66 -0.561 -9.729 10.984 1.00 0.00 H new ATOM 0 HH11 ARG A 66 1.312 -6.961 12.138 1.00 0.00 H new ATOM 0 HH12 ARG A 66 1.092 -7.373 13.842 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -0.811 -10.264 13.184 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -0.102 -9.231 14.429 1.00 0.00 H new ATOM 993 N TRP A 67 -0.884 -6.505 5.883 1.00 0.00 N ATOM 994 CA TRP A 67 -0.345 -5.249 5.375 1.00 0.00 C ATOM 995 C TRP A 67 -1.455 -4.310 4.928 1.00 0.00 C ATOM 996 O TRP A 67 -1.506 -3.160 5.356 1.00 0.00 O ATOM 997 CB TRP A 67 0.608 -5.509 4.211 1.00 0.00 C ATOM 998 CG TRP A 67 1.992 -5.008 4.461 1.00 0.00 C ATOM 999 CD1 TRP A 67 3.017 -5.697 5.036 1.00 0.00 C ATOM 1000 CD2 TRP A 67 2.501 -3.713 4.139 1.00 0.00 C ATOM 1001 NE1 TRP A 67 4.138 -4.906 5.096 1.00 0.00 N ATOM 1002 CE2 TRP A 67 3.847 -3.682 4.549 1.00 0.00 C ATOM 1003 CE3 TRP A 67 1.951 -2.577 3.545 1.00 0.00 C ATOM 1004 CZ2 TRP A 67 4.647 -2.556 4.379 1.00 0.00 C ATOM 1005 CZ3 TRP A 67 2.743 -1.461 3.376 1.00 0.00 C ATOM 1006 CH2 TRP A 67 4.080 -1.459 3.791 1.00 0.00 C ATOM 0 H TRP A 67 -0.520 -7.337 5.419 1.00 0.00 H new ATOM 0 HA TRP A 67 0.201 -4.773 6.189 1.00 0.00 H new ATOM 0 HB2 TRP A 67 0.646 -6.580 4.014 1.00 0.00 H new ATOM 0 HB3 TRP A 67 0.213 -5.033 3.313 1.00 0.00 H new ATOM 0 HD1 TRP A 67 2.957 -6.715 5.392 1.00 0.00 H new ATOM 0 HE1 TRP A 67 5.040 -5.183 5.484 1.00 0.00 H new ATOM 0 HE3 TRP A 67 0.920 -2.572 3.222 1.00 0.00 H new ATOM 0 HZ2 TRP A 67 5.678 -2.549 4.700 1.00 0.00 H new ATOM 0 HZ3 TRP A 67 2.326 -0.577 2.917 1.00 0.00 H new ATOM 0 HH2 TRP A 67 4.677 -0.571 3.644 1.00 0.00 H new ATOM 1017 N GLU A 68 -2.345 -4.810 4.079 1.00 0.00 N ATOM 1018 CA GLU A 68 -3.447 -3.999 3.575 1.00 0.00 C ATOM 1019 C GLU A 68 -4.327 -3.519 4.722 1.00 0.00 C ATOM 1020 O GLU A 68 -4.559 -2.321 4.889 1.00 0.00 O ATOM 1021 CB GLU A 68 -4.291 -4.807 2.594 1.00 0.00 C ATOM 1022 CG GLU A 68 -5.398 -3.995 1.937 1.00 0.00 C ATOM 1023 CD GLU A 68 -6.760 -4.653 2.043 1.00 0.00 C ATOM 1024 OE1 GLU A 68 -7.317 -4.689 3.161 1.00 0.00 O ATOM 1025 OE2 GLU A 68 -7.290 -5.103 1.010 1.00 0.00 O ATOM 0 H GLU A 68 -2.326 -5.767 3.727 1.00 0.00 H new ATOM 0 HA GLU A 68 -3.026 -3.134 3.063 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -3.642 -5.216 1.820 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -4.734 -5.653 3.119 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -5.440 -3.009 2.399 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -5.155 -3.844 0.885 1.00 0.00 H new ATOM 1032 N TYR A 69 -4.792 -4.476 5.507 1.00 0.00 N ATOM 1033 CA TYR A 69 -5.718 -4.214 6.608 1.00 0.00 C ATOM 1034 C TYR A 69 -5.134 -3.234 7.625 1.00 0.00 C ATOM 1035 O TYR A 69 -5.835 -2.349 8.132 1.00 0.00 O ATOM 1036 CB TYR A 69 -6.075 -5.534 7.290 1.00 0.00 C ATOM 1037 CG TYR A 69 -7.119 -5.411 8.373 1.00 0.00 C ATOM 1038 CD1 TYR A 69 -8.434 -5.105 8.060 1.00 0.00 C ATOM 1039 CD2 TYR A 69 -6.793 -5.627 9.706 1.00 0.00 C ATOM 1040 CE1 TYR A 69 -9.398 -5.016 9.042 1.00 0.00 C ATOM 1041 CE2 TYR A 69 -7.750 -5.535 10.696 1.00 0.00 C ATOM 1042 CZ TYR A 69 -9.052 -5.233 10.359 1.00 0.00 C ATOM 1043 OH TYR A 69 -10.013 -5.149 11.340 1.00 0.00 O ATOM 0 H TYR A 69 -4.541 -5.459 5.403 1.00 0.00 H new ATOM 0 HA TYR A 69 -6.616 -3.753 6.196 1.00 0.00 H new ATOM 0 HB2 TYR A 69 -6.432 -6.235 6.535 1.00 0.00 H new ATOM 0 HB3 TYR A 69 -5.170 -5.963 7.721 1.00 0.00 H new ATOM 0 HD1 TYR A 69 -8.708 -4.933 7.030 1.00 0.00 H new ATOM 0 HD2 TYR A 69 -5.775 -5.871 9.972 1.00 0.00 H new ATOM 0 HE1 TYR A 69 -10.419 -4.778 8.781 1.00 0.00 H new ATOM 0 HE2 TYR A 69 -7.480 -5.699 11.729 1.00 0.00 H new ATOM 0 HH TYR A 69 -9.606 -5.330 12.213 1.00 0.00 H new ATOM 1053 N GLU A 70 -3.851 -3.387 7.913 1.00 0.00 N ATOM 1054 CA GLU A 70 -3.185 -2.517 8.866 1.00 0.00 C ATOM 1055 C GLU A 70 -3.167 -1.086 8.340 1.00 0.00 C ATOM 1056 O GLU A 70 -3.564 -0.162 9.043 1.00 0.00 O ATOM 1057 CB GLU A 70 -1.765 -3.013 9.136 1.00 0.00 C ATOM 1058 CG GLU A 70 -1.126 -2.387 10.366 1.00 0.00 C ATOM 1059 CD GLU A 70 0.250 -2.945 10.655 1.00 0.00 C ATOM 1060 OE1 GLU A 70 1.235 -2.414 10.106 1.00 0.00 O ATOM 1061 OE2 GLU A 70 0.353 -3.920 11.432 1.00 0.00 O ATOM 0 H GLU A 70 -3.253 -4.103 7.501 1.00 0.00 H new ATOM 0 HA GLU A 70 -3.735 -2.534 9.807 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -1.784 -4.096 9.258 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -1.143 -2.801 8.266 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -1.054 -1.309 10.224 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -1.770 -2.553 11.230 1.00 0.00 H new ATOM 1068 N VAL A 71 -2.742 -0.919 7.084 1.00 0.00 N ATOM 1069 CA VAL A 71 -2.731 0.398 6.447 1.00 0.00 C ATOM 1070 C VAL A 71 -4.142 0.983 6.372 1.00 0.00 C ATOM 1071 O VAL A 71 -4.325 2.195 6.491 1.00 0.00 O ATOM 1072 CB VAL A 71 -2.114 0.344 5.030 1.00 0.00 C ATOM 1073 CG1 VAL A 71 -2.127 1.717 4.373 1.00 0.00 C ATOM 1074 CG2 VAL A 71 -0.694 -0.192 5.086 1.00 0.00 C ATOM 0 H VAL A 71 -2.403 -1.677 6.492 1.00 0.00 H new ATOM 0 HA VAL A 71 -2.110 1.044 7.067 1.00 0.00 H new ATOM 0 HB VAL A 71 -2.723 -0.330 4.428 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -1.687 1.648 3.378 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -3.154 2.072 4.292 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -1.549 2.415 4.978 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -0.277 -0.223 4.080 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -0.084 0.459 5.712 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -0.701 -1.198 5.507 1.00 0.00 H new ATOM 1084 N LYS A 72 -5.132 0.112 6.187 1.00 0.00 N ATOM 1085 CA LYS A 72 -6.535 0.525 6.203 1.00 0.00 C ATOM 1086 C LYS A 72 -6.857 1.310 7.471 1.00 0.00 C ATOM 1087 O LYS A 72 -7.529 2.341 7.428 1.00 0.00 O ATOM 1088 CB LYS A 72 -7.460 -0.694 6.132 1.00 0.00 C ATOM 1089 CG LYS A 72 -7.480 -1.394 4.785 1.00 0.00 C ATOM 1090 CD LYS A 72 -8.251 -0.585 3.755 1.00 0.00 C ATOM 1091 CE LYS A 72 -8.375 -1.328 2.434 1.00 0.00 C ATOM 1092 NZ LYS A 72 -9.051 -2.645 2.603 1.00 0.00 N ATOM 0 H LYS A 72 -4.989 -0.885 6.024 1.00 0.00 H new ATOM 0 HA LYS A 72 -6.698 1.160 5.332 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -7.155 -1.410 6.895 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -8.474 -0.379 6.378 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -6.458 -1.550 4.438 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -7.934 -2.379 4.891 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -9.245 -0.359 4.140 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -7.748 0.368 3.591 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -8.937 -0.719 1.726 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -7.383 -1.480 2.008 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -9.224 -3.069 1.669 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -8.444 -3.277 3.163 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -9.957 -2.509 3.095 1.00 0.00 H new ATOM 1106 N HIS A 73 -6.367 0.813 8.603 1.00 0.00 N ATOM 1107 CA HIS A 73 -6.669 1.421 9.893 1.00 0.00 C ATOM 1108 C HIS A 73 -5.645 2.485 10.286 1.00 0.00 C ATOM 1109 O HIS A 73 -5.793 3.138 11.321 1.00 0.00 O ATOM 1110 CB HIS A 73 -6.742 0.355 10.985 1.00 0.00 C ATOM 1111 CG HIS A 73 -7.983 -0.487 10.933 1.00 0.00 C ATOM 1112 ND1 HIS A 73 -8.279 -1.434 11.888 1.00 0.00 N ATOM 1113 CD2 HIS A 73 -9.007 -0.520 10.046 1.00 0.00 C ATOM 1114 CE1 HIS A 73 -9.424 -2.011 11.593 1.00 0.00 C ATOM 1115 NE2 HIS A 73 -9.888 -1.479 10.482 1.00 0.00 N ATOM 0 H HIS A 73 -5.761 -0.006 8.652 1.00 0.00 H new ATOM 0 HA HIS A 73 -7.638 1.910 9.791 1.00 0.00 H new ATOM 0 HB2 HIS A 73 -5.871 -0.295 10.903 1.00 0.00 H new ATOM 0 HB3 HIS A 73 -6.686 0.842 11.958 1.00 0.00 H new ATOM 0 HD2 HIS A 73 -9.111 0.093 9.163 1.00 0.00 H new ATOM 0 HE1 HIS A 73 -9.903 -2.791 12.166 1.00 0.00 H new ATOM 0 HE2 HIS A 73 -10.760 -1.737 10.020 1.00 0.00 H new ATOM 1124 N LEU A 74 -4.615 2.659 9.471 1.00 0.00 N ATOM 1125 CA LEU A 74 -3.581 3.638 9.769 1.00 0.00 C ATOM 1126 C LEU A 74 -4.095 5.048 9.537 1.00 0.00 C ATOM 1127 O LEU A 74 -4.729 5.332 8.520 1.00 0.00 O ATOM 1128 CB LEU A 74 -2.328 3.406 8.919 1.00 0.00 C ATOM 1129 CG LEU A 74 -1.575 2.105 9.195 1.00 0.00 C ATOM 1130 CD1 LEU A 74 -0.273 2.063 8.406 1.00 0.00 C ATOM 1131 CD2 LEU A 74 -1.308 1.949 10.684 1.00 0.00 C ATOM 0 H LEU A 74 -4.474 2.139 8.605 1.00 0.00 H new ATOM 0 HA LEU A 74 -3.315 3.518 10.819 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -2.616 3.422 7.868 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -1.645 4.241 9.076 1.00 0.00 H new ATOM 0 HG LEU A 74 -2.197 1.271 8.871 1.00 0.00 H new ATOM 0 HD11 LEU A 74 0.249 1.129 8.615 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -0.491 2.125 7.340 1.00 0.00 H new ATOM 0 HD13 LEU A 74 0.356 2.904 8.697 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -0.771 1.017 10.862 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -0.706 2.787 11.036 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -2.255 1.931 11.223 1.00 0.00 H new ATOM 1143 N SER A 75 -3.826 5.922 10.491 1.00 0.00 N ATOM 1144 CA SER A 75 -4.204 7.315 10.372 1.00 0.00 C ATOM 1145 C SER A 75 -3.253 8.018 9.409 1.00 0.00 C ATOM 1146 O SER A 75 -2.202 7.470 9.064 1.00 0.00 O ATOM 1147 CB SER A 75 -4.167 7.991 11.748 1.00 0.00 C ATOM 1148 OG SER A 75 -4.601 9.340 11.674 1.00 0.00 O ATOM 0 H SER A 75 -3.345 5.688 11.359 1.00 0.00 H new ATOM 0 HA SER A 75 -5.220 7.382 9.983 1.00 0.00 H new ATOM 0 HB2 SER A 75 -4.802 7.441 12.443 1.00 0.00 H new ATOM 0 HB3 SER A 75 -3.153 7.955 12.146 1.00 0.00 H new ATOM 0 HG SER A 75 -4.568 9.744 12.566 1.00 0.00 H new ATOM 1154 N ARG A 76 -3.620 9.221 8.985 1.00 0.00 N ATOM 1155 CA ARG A 76 -2.790 10.015 8.081 1.00 0.00 C ATOM 1156 C ARG A 76 -1.345 10.088 8.562 1.00 0.00 C ATOM 1157 O ARG A 76 -0.420 9.875 7.785 1.00 0.00 O ATOM 1158 CB ARG A 76 -3.352 11.431 7.936 1.00 0.00 C ATOM 1159 CG ARG A 76 -3.756 12.064 9.261 1.00 0.00 C ATOM 1160 CD ARG A 76 -4.160 13.519 9.103 1.00 0.00 C ATOM 1161 NE ARG A 76 -4.785 14.037 10.316 1.00 0.00 N ATOM 1162 CZ ARG A 76 -4.615 15.272 10.779 1.00 0.00 C ATOM 1163 NH1 ARG A 76 -3.753 16.101 10.196 1.00 0.00 N ATOM 1164 NH2 ARG A 76 -5.294 15.663 11.849 1.00 0.00 N ATOM 0 H ARG A 76 -4.494 9.673 9.254 1.00 0.00 H new ATOM 0 HA ARG A 76 -2.805 9.518 7.111 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -2.605 12.062 7.454 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -4.219 11.403 7.277 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -4.586 11.503 9.691 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -2.925 11.994 9.963 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -3.281 14.117 8.862 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -4.852 13.617 8.266 1.00 0.00 H new ATOM 0 HE ARG A 76 -5.393 13.410 10.844 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -3.215 15.791 9.386 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -3.630 17.046 10.559 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -5.938 15.019 12.308 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -5.172 16.608 12.213 1.00 0.00 H new ATOM 1178 N ARG A 77 -1.157 10.346 9.850 1.00 0.00 N ATOM 1179 CA ARG A 77 0.181 10.548 10.384 1.00 0.00 C ATOM 1180 C ARG A 77 0.964 9.243 10.406 1.00 0.00 C ATOM 1181 O ARG A 77 2.187 9.246 10.299 1.00 0.00 O ATOM 1182 CB ARG A 77 0.132 11.152 11.789 1.00 0.00 C ATOM 1183 CG ARG A 77 1.475 11.710 12.241 1.00 0.00 C ATOM 1184 CD ARG A 77 1.906 12.861 11.349 1.00 0.00 C ATOM 1185 NE ARG A 77 3.345 13.120 11.410 1.00 0.00 N ATOM 1186 CZ ARG A 77 4.012 13.760 10.450 1.00 0.00 C ATOM 1187 NH1 ARG A 77 3.373 14.171 9.365 1.00 0.00 N ATOM 1188 NH2 ARG A 77 5.320 13.963 10.557 1.00 0.00 N ATOM 0 H ARG A 77 -1.907 10.420 10.537 1.00 0.00 H new ATOM 0 HA ARG A 77 0.691 11.250 9.724 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -0.612 11.948 11.811 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -0.195 10.389 12.496 1.00 0.00 H new ATOM 0 HG2 ARG A 77 1.404 12.051 13.274 1.00 0.00 H new ATOM 0 HG3 ARG A 77 2.228 10.923 12.217 1.00 0.00 H new ATOM 0 HD2 ARG A 77 1.625 12.641 10.319 1.00 0.00 H new ATOM 0 HD3 ARG A 77 1.367 13.762 11.641 1.00 0.00 H new ATOM 0 HE ARG A 77 3.862 12.795 12.227 1.00 0.00 H new ATOM 0 HH11 ARG A 77 2.373 13.997 9.266 1.00 0.00 H new ATOM 0 HH12 ARG A 77 3.881 14.661 8.629 1.00 0.00 H new ATOM 0 HH21 ARG A 77 5.823 13.628 11.379 1.00 0.00 H new ATOM 0 HH22 ARG A 77 5.822 14.454 9.817 1.00 0.00 H new ATOM 1202 N LYS A 78 0.263 8.124 10.531 1.00 0.00 N ATOM 1203 CA LYS A 78 0.929 6.835 10.568 1.00 0.00 C ATOM 1204 C LYS A 78 1.314 6.408 9.155 1.00 0.00 C ATOM 1205 O LYS A 78 2.291 5.685 8.957 1.00 0.00 O ATOM 1206 CB LYS A 78 0.045 5.782 11.240 1.00 0.00 C ATOM 1207 CG LYS A 78 0.806 4.542 11.684 1.00 0.00 C ATOM 1208 CD LYS A 78 1.959 4.903 12.608 1.00 0.00 C ATOM 1209 CE LYS A 78 2.739 3.671 13.048 1.00 0.00 C ATOM 1210 NZ LYS A 78 1.987 2.833 14.019 1.00 0.00 N ATOM 0 H LYS A 78 -0.753 8.085 10.607 1.00 0.00 H new ATOM 0 HA LYS A 78 1.838 6.928 11.162 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -0.443 6.228 12.107 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -0.743 5.486 10.548 1.00 0.00 H new ATOM 0 HG2 LYS A 78 0.127 3.860 12.196 1.00 0.00 H new ATOM 0 HG3 LYS A 78 1.189 4.015 10.810 1.00 0.00 H new ATOM 0 HD2 LYS A 78 2.630 5.595 12.099 1.00 0.00 H new ATOM 0 HD3 LYS A 78 1.573 5.421 13.486 1.00 0.00 H new ATOM 0 HE2 LYS A 78 2.987 3.071 12.172 1.00 0.00 H new ATOM 0 HE3 LYS A 78 3.681 3.984 13.498 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 2.569 2.018 14.298 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 1.757 3.399 14.861 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 1.108 2.495 13.578 1.00 0.00 H new ATOM 1224 N LYS A 79 0.551 6.878 8.174 1.00 0.00 N ATOM 1225 CA LYS A 79 0.889 6.655 6.775 1.00 0.00 C ATOM 1226 C LYS A 79 2.094 7.514 6.404 1.00 0.00 C ATOM 1227 O LYS A 79 2.973 7.082 5.659 1.00 0.00 O ATOM 1228 CB LYS A 79 -0.302 6.973 5.866 1.00 0.00 C ATOM 1229 CG LYS A 79 -1.535 6.132 6.162 1.00 0.00 C ATOM 1230 CD LYS A 79 -2.671 6.416 5.189 1.00 0.00 C ATOM 1231 CE LYS A 79 -2.346 5.928 3.782 1.00 0.00 C ATOM 1232 NZ LYS A 79 -3.477 6.151 2.842 1.00 0.00 N ATOM 0 H LYS A 79 -0.304 7.415 8.322 1.00 0.00 H new ATOM 0 HA LYS A 79 1.139 5.604 6.634 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -0.558 8.027 5.971 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -0.008 6.819 4.828 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -1.272 5.075 6.113 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -1.872 6.330 7.179 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -3.581 5.930 5.541 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -2.870 7.487 5.165 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -1.460 6.446 3.414 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -2.104 4.866 3.813 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -3.104 6.368 1.896 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -4.064 5.293 2.795 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -4.055 6.948 3.177 1.00 0.00 H new ATOM 1246 N GLU A 80 2.130 8.730 6.946 1.00 0.00 N ATOM 1247 CA GLU A 80 3.281 9.611 6.786 1.00 0.00 C ATOM 1248 C GLU A 80 4.499 9.014 7.495 1.00 0.00 C ATOM 1249 O GLU A 80 5.626 9.092 6.999 1.00 0.00 O ATOM 1250 CB GLU A 80 2.972 11.005 7.345 1.00 0.00 C ATOM 1251 CG GLU A 80 1.809 11.694 6.648 1.00 0.00 C ATOM 1252 CD GLU A 80 1.525 13.071 7.206 1.00 0.00 C ATOM 1253 OE1 GLU A 80 0.958 13.168 8.315 1.00 0.00 O ATOM 1254 OE2 GLU A 80 1.855 14.069 6.531 1.00 0.00 O ATOM 0 H GLU A 80 1.372 9.127 7.501 1.00 0.00 H new ATOM 0 HA GLU A 80 3.502 9.707 5.723 1.00 0.00 H new ATOM 0 HB2 GLU A 80 2.749 10.920 8.409 1.00 0.00 H new ATOM 0 HB3 GLU A 80 3.861 11.629 7.255 1.00 0.00 H new ATOM 0 HG2 GLU A 80 2.026 11.776 5.583 1.00 0.00 H new ATOM 0 HG3 GLU A 80 0.916 11.076 6.744 1.00 0.00 H new ATOM 1261 N GLN A 81 4.254 8.409 8.656 1.00 0.00 N ATOM 1262 CA GLN A 81 5.293 7.703 9.403 1.00 0.00 C ATOM 1263 C GLN A 81 5.855 6.557 8.577 1.00 0.00 C ATOM 1264 O GLN A 81 7.059 6.325 8.559 1.00 0.00 O ATOM 1265 CB GLN A 81 4.726 7.157 10.717 1.00 0.00 C ATOM 1266 CG GLN A 81 5.745 6.418 11.573 1.00 0.00 C ATOM 1267 CD GLN A 81 6.920 7.287 11.983 1.00 0.00 C ATOM 1268 OE1 GLN A 81 6.790 8.500 12.151 1.00 0.00 O ATOM 1269 NE2 GLN A 81 8.079 6.666 12.152 1.00 0.00 N ATOM 0 H GLN A 81 3.337 8.394 9.102 1.00 0.00 H new ATOM 0 HA GLN A 81 6.094 8.409 9.624 1.00 0.00 H new ATOM 0 HB2 GLN A 81 4.314 7.985 11.294 1.00 0.00 H new ATOM 0 HB3 GLN A 81 3.899 6.483 10.492 1.00 0.00 H new ATOM 0 HG2 GLN A 81 5.252 6.038 12.468 1.00 0.00 H new ATOM 0 HG3 GLN A 81 6.115 5.553 11.022 1.00 0.00 H new ATOM 0 HE21 GLN A 81 8.145 5.659 12.003 1.00 0.00 H new ATOM 0 HE22 GLN A 81 8.905 7.195 12.431 1.00 0.00 H new ATOM 1278 N LEU A 82 4.973 5.850 7.891 1.00 0.00 N ATOM 1279 CA LEU A 82 5.367 4.713 7.073 1.00 0.00 C ATOM 1280 C LEU A 82 6.260 5.177 5.922 1.00 0.00 C ATOM 1281 O LEU A 82 7.240 4.521 5.574 1.00 0.00 O ATOM 1282 CB LEU A 82 4.116 4.006 6.544 1.00 0.00 C ATOM 1283 CG LEU A 82 4.200 2.476 6.455 1.00 0.00 C ATOM 1284 CD1 LEU A 82 2.810 1.890 6.272 1.00 0.00 C ATOM 1285 CD2 LEU A 82 5.111 2.038 5.316 1.00 0.00 C ATOM 0 H LEU A 82 3.972 6.045 7.884 1.00 0.00 H new ATOM 0 HA LEU A 82 5.936 4.008 7.679 1.00 0.00 H new ATOM 0 HB2 LEU A 82 3.275 4.268 7.186 1.00 0.00 H new ATOM 0 HB3 LEU A 82 3.893 4.397 5.551 1.00 0.00 H new ATOM 0 HG LEU A 82 4.627 2.104 7.386 1.00 0.00 H new ATOM 0 HD11 LEU A 82 2.878 0.804 6.210 1.00 0.00 H new ATOM 0 HD12 LEU A 82 2.184 2.166 7.121 1.00 0.00 H new ATOM 0 HD13 LEU A 82 2.369 2.279 5.354 1.00 0.00 H new ATOM 0 HD21 LEU A 82 5.150 0.949 5.279 1.00 0.00 H new ATOM 0 HD22 LEU A 82 4.722 2.419 4.372 1.00 0.00 H new ATOM 0 HD23 LEU A 82 6.114 2.431 5.481 1.00 0.00 H new ATOM 1297 N VAL A 83 5.929 6.329 5.353 1.00 0.00 N ATOM 1298 CA VAL A 83 6.732 6.914 4.283 1.00 0.00 C ATOM 1299 C VAL A 83 8.063 7.432 4.821 1.00 0.00 C ATOM 1300 O VAL A 83 9.020 7.604 4.079 1.00 0.00 O ATOM 1301 CB VAL A 83 5.959 8.031 3.545 1.00 0.00 C ATOM 1302 CG1 VAL A 83 6.859 8.825 2.602 1.00 0.00 C ATOM 1303 CG2 VAL A 83 4.819 7.414 2.764 1.00 0.00 C ATOM 0 H VAL A 83 5.110 6.878 5.614 1.00 0.00 H new ATOM 0 HA VAL A 83 6.944 6.127 3.559 1.00 0.00 H new ATOM 0 HB VAL A 83 5.576 8.726 4.293 1.00 0.00 H new ATOM 0 HG11 VAL A 83 6.273 9.599 2.105 1.00 0.00 H new ATOM 0 HG12 VAL A 83 7.664 9.289 3.172 1.00 0.00 H new ATOM 0 HG13 VAL A 83 7.283 8.155 1.854 1.00 0.00 H new ATOM 0 HG21 VAL A 83 4.270 8.197 2.241 1.00 0.00 H new ATOM 0 HG22 VAL A 83 5.217 6.704 2.039 1.00 0.00 H new ATOM 0 HG23 VAL A 83 4.148 6.896 3.449 1.00 0.00 H new ATOM 1313 N SER A 84 8.146 7.628 6.128 1.00 0.00 N ATOM 1314 CA SER A 84 9.402 8.032 6.747 1.00 0.00 C ATOM 1315 C SER A 84 10.421 6.884 6.672 1.00 0.00 C ATOM 1316 O SER A 84 11.590 7.040 7.036 1.00 0.00 O ATOM 1317 CB SER A 84 9.168 8.461 8.197 1.00 0.00 C ATOM 1318 OG SER A 84 8.189 9.492 8.272 1.00 0.00 O ATOM 0 H SER A 84 7.367 7.516 6.777 1.00 0.00 H new ATOM 0 HA SER A 84 9.806 8.886 6.203 1.00 0.00 H new ATOM 0 HB2 SER A 84 8.844 7.603 8.786 1.00 0.00 H new ATOM 0 HB3 SER A 84 10.104 8.811 8.632 1.00 0.00 H new ATOM 0 HG SER A 84 7.340 9.164 7.908 1.00 0.00 H new