USER MOD reduce.3.24.130724 H: found=0, std=0, add=552, rem=0, adj=24 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 78 LYS NZ :NH3+ 170:sc= 1.03 (180deg=0) USER MOD Set 1.2: A 81 GLN : amide:sc= 0.788 K(o=1.8,f=-6.6!) USER MOD Set 2.1: A 69 TYR OH : rot -65:sc= 0.14 USER MOD Set 2.2: A 73 HIS :FLIP no HE2:sc= 0.0301 F(o=-0.37,f=0.17) USER MOD Set 3.1: A 8 HIS : no HD1:sc= -0.942 K(o=1.3,f=-8.8!) USER MOD Set 3.2: A 24 TYR OH : rot -109:sc= 1.29 USER MOD Set 3.3: A 26 THR OG1 : rot -152:sc= 0.922 USER MOD Set 4.1: A 22 THR OG1 : rot 180:sc= 0 USER MOD Set 4.2: A 79 LYS NZ :NH3+ -166:sc= -0.0239 (180deg=-0.148) USER MOD Single : A 7 ASN : amide:sc= -0.468 X(o=-0.47,f=-0.55) USER MOD Single : A 9 TYR OH : rot 180:sc= -1.34 USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 CYS SG : rot -127:sc= 0.487 USER MOD Single : A 16 LYS NZ :NH3+ 166:sc= -0.0943 (180deg=-0.435) 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 100:sc= 0.562 USER MOD Single : A 33 LYS NZ :NH3+ 167:sc= -0.0411 (180deg=-0.249) USER MOD Single : A 34 LYS NZ :NH3+ 163:sc= -0.0193 (180deg=-0.3) USER MOD Single : A 35 HIS : no HD1:sc= -0.427 X(o=-0.43,f=-0.057) USER MOD Single : A 37 SER OG : rot -150:sc= 0 USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ -111:sc= 0.274 (180deg=0) USER MOD Single : A 65 MET CE :methyl 167:sc= -0.0444 (180deg=-0.415) USER MOD Single : A 72 LYS NZ :NH3+ -168:sc= 1.3 (180deg=1.12) USER MOD Single : A 75 SER OG : rot 180:sc= 0.106 USER MOD Single : A 84 SER OG : rot 67:sc= 0.461 USER MOD ----------------------------------------------------------------- ATOM 18 N ASN A 7 1.534 -13.354 -5.821 1.00 0.00 N ATOM 19 CA ASN A 7 2.237 -12.154 -5.396 1.00 0.00 C ATOM 20 C ASN A 7 1.249 -11.085 -4.961 1.00 0.00 C ATOM 21 O ASN A 7 0.392 -10.667 -5.737 1.00 0.00 O ATOM 22 CB ASN A 7 3.138 -11.628 -6.515 1.00 0.00 C ATOM 23 CG ASN A 7 4.251 -12.600 -6.865 1.00 0.00 C ATOM 24 OD1 ASN A 7 5.333 -12.563 -6.282 1.00 0.00 O ATOM 25 ND2 ASN A 7 3.996 -13.477 -7.827 1.00 0.00 N ATOM 0 HA ASN A 7 2.867 -12.411 -4.544 1.00 0.00 H new ATOM 0 HB2 ASN A 7 2.536 -11.434 -7.403 1.00 0.00 H new ATOM 0 HB3 ASN A 7 3.573 -10.676 -6.211 1.00 0.00 H new ATOM 0 HD21 ASN A 7 4.710 -14.151 -8.105 1.00 0.00 H new ATOM 0 HD22 ASN A 7 3.086 -13.478 -8.288 1.00 0.00 H new ATOM 32 N HIS A 8 1.362 -10.664 -3.711 1.00 0.00 N ATOM 33 CA HIS A 8 0.480 -9.648 -3.158 1.00 0.00 C ATOM 34 C HIS A 8 1.150 -8.288 -3.251 1.00 0.00 C ATOM 35 O HIS A 8 2.126 -8.026 -2.544 1.00 0.00 O ATOM 36 CB HIS A 8 0.153 -9.939 -1.689 1.00 0.00 C ATOM 37 CG HIS A 8 -0.430 -11.299 -1.414 1.00 0.00 C ATOM 38 ND1 HIS A 8 -1.700 -11.487 -0.909 1.00 0.00 N ATOM 39 CD2 HIS A 8 0.104 -12.537 -1.536 1.00 0.00 C ATOM 40 CE1 HIS A 8 -1.917 -12.776 -0.736 1.00 0.00 C ATOM 41 NE2 HIS A 8 -0.838 -13.434 -1.108 1.00 0.00 N ATOM 0 H HIS A 8 2.061 -11.013 -3.056 1.00 0.00 H new ATOM 0 HA HIS A 8 -0.446 -9.656 -3.732 1.00 0.00 H new ATOM 0 HB2 HIS A 8 1.065 -9.828 -1.103 1.00 0.00 H new ATOM 0 HB3 HIS A 8 -0.548 -9.183 -1.334 1.00 0.00 H new ATOM 0 HD2 HIS A 8 1.092 -12.774 -1.903 1.00 0.00 H new ATOM 0 HE1 HIS A 8 -2.826 -13.218 -0.354 1.00 0.00 H new ATOM 0 HE2 HIS A 8 -0.723 -14.447 -1.082 1.00 0.00 H new ATOM 50 N TYR A 9 0.645 -7.435 -4.123 1.00 0.00 N ATOM 51 CA TYR A 9 1.211 -6.111 -4.306 1.00 0.00 C ATOM 52 C TYR A 9 0.470 -5.067 -3.487 1.00 0.00 C ATOM 53 O TYR A 9 -0.696 -4.761 -3.757 1.00 0.00 O ATOM 54 CB TYR A 9 1.193 -5.716 -5.783 1.00 0.00 C ATOM 55 CG TYR A 9 2.370 -6.237 -6.571 1.00 0.00 C ATOM 56 CD1 TYR A 9 2.437 -7.563 -6.980 1.00 0.00 C ATOM 57 CD2 TYR A 9 3.417 -5.391 -6.914 1.00 0.00 C ATOM 58 CE1 TYR A 9 3.516 -8.028 -7.710 1.00 0.00 C ATOM 59 CE2 TYR A 9 4.498 -5.848 -7.642 1.00 0.00 C ATOM 60 CZ TYR A 9 4.543 -7.166 -8.035 1.00 0.00 C ATOM 61 OH TYR A 9 5.616 -7.621 -8.766 1.00 0.00 O ATOM 0 H TYR A 9 -0.159 -7.636 -4.718 1.00 0.00 H new ATOM 0 HA TYR A 9 2.243 -6.149 -3.957 1.00 0.00 H new ATOM 0 HB2 TYR A 9 0.273 -6.085 -6.236 1.00 0.00 H new ATOM 0 HB3 TYR A 9 1.171 -4.629 -5.858 1.00 0.00 H new ATOM 0 HD1 TYR A 9 1.635 -8.240 -6.724 1.00 0.00 H new ATOM 0 HD2 TYR A 9 3.385 -4.356 -6.606 1.00 0.00 H new ATOM 0 HE1 TYR A 9 3.554 -9.061 -8.024 1.00 0.00 H new ATOM 0 HE2 TYR A 9 5.302 -5.176 -7.901 1.00 0.00 H new ATOM 0 HH TYR A 9 6.249 -6.887 -8.909 1.00 0.00 H new ATOM 71 N VAL A 10 1.147 -4.538 -2.480 1.00 0.00 N ATOM 72 CA VAL A 10 0.650 -3.385 -1.753 1.00 0.00 C ATOM 73 C VAL A 10 1.191 -2.134 -2.425 1.00 0.00 C ATOM 74 O VAL A 10 2.396 -1.880 -2.397 1.00 0.00 O ATOM 75 CB VAL A 10 1.084 -3.366 -0.269 1.00 0.00 C ATOM 76 CG1 VAL A 10 0.383 -2.229 0.463 1.00 0.00 C ATOM 77 CG2 VAL A 10 0.816 -4.699 0.420 1.00 0.00 C ATOM 0 H VAL A 10 2.045 -4.891 -2.148 1.00 0.00 H new ATOM 0 HA VAL A 10 -0.439 -3.430 -1.771 1.00 0.00 H new ATOM 0 HB VAL A 10 2.161 -3.201 -0.237 1.00 0.00 H new ATOM 0 HG11 VAL A 10 0.694 -2.222 1.508 1.00 0.00 H new ATOM 0 HG12 VAL A 10 0.649 -1.279 -0.001 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -0.696 -2.371 0.407 1.00 0.00 H new ATOM 0 HG21 VAL A 10 1.136 -4.642 1.460 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -0.250 -4.921 0.380 1.00 0.00 H new ATOM 0 HG23 VAL A 10 1.371 -5.489 -0.087 1.00 0.00 H new ATOM 87 N TYR A 11 0.317 -1.372 -3.050 1.00 0.00 N ATOM 88 CA TYR A 11 0.741 -0.187 -3.771 1.00 0.00 C ATOM 89 C TYR A 11 -0.002 1.036 -3.272 1.00 0.00 C ATOM 90 O TYR A 11 -1.220 1.008 -3.095 1.00 0.00 O ATOM 91 CB TYR A 11 0.527 -0.358 -5.284 1.00 0.00 C ATOM 92 CG TYR A 11 -0.897 -0.687 -5.684 1.00 0.00 C ATOM 93 CD1 TYR A 11 -1.349 -2.000 -5.705 1.00 0.00 C ATOM 94 CD2 TYR A 11 -1.791 0.317 -6.042 1.00 0.00 C ATOM 95 CE1 TYR A 11 -2.647 -2.304 -6.068 1.00 0.00 C ATOM 96 CE2 TYR A 11 -3.091 0.019 -6.402 1.00 0.00 C ATOM 97 CZ TYR A 11 -3.513 -1.292 -6.414 1.00 0.00 C ATOM 98 OH TYR A 11 -4.808 -1.594 -6.766 1.00 0.00 O ATOM 0 H TYR A 11 -0.687 -1.550 -3.074 1.00 0.00 H new ATOM 0 HA TYR A 11 1.806 -0.047 -3.589 1.00 0.00 H new ATOM 0 HB2 TYR A 11 0.829 0.561 -5.787 1.00 0.00 H new ATOM 0 HB3 TYR A 11 1.184 -1.150 -5.644 1.00 0.00 H new ATOM 0 HD1 TYR A 11 -0.674 -2.798 -5.433 1.00 0.00 H new ATOM 0 HD2 TYR A 11 -1.463 1.346 -6.038 1.00 0.00 H new ATOM 0 HE1 TYR A 11 -2.980 -3.331 -6.080 1.00 0.00 H new ATOM 0 HE2 TYR A 11 -3.774 0.811 -6.673 1.00 0.00 H new ATOM 0 HH TYR A 11 -5.290 -0.768 -6.981 1.00 0.00 H new ATOM 108 N ILE A 12 0.728 2.110 -3.033 1.00 0.00 N ATOM 109 CA ILE A 12 0.100 3.358 -2.658 1.00 0.00 C ATOM 110 C ILE A 12 0.399 4.417 -3.720 1.00 0.00 C ATOM 111 O ILE A 12 1.555 4.764 -3.987 1.00 0.00 O ATOM 112 CB ILE A 12 0.521 3.829 -1.237 1.00 0.00 C ATOM 113 CG1 ILE A 12 -0.364 4.984 -0.765 1.00 0.00 C ATOM 114 CG2 ILE A 12 1.978 4.250 -1.198 1.00 0.00 C ATOM 115 CD1 ILE A 12 -0.036 5.448 0.641 1.00 0.00 C ATOM 0 H ILE A 12 1.746 2.142 -3.092 1.00 0.00 H new ATOM 0 HA ILE A 12 -0.977 3.199 -2.610 1.00 0.00 H new ATOM 0 HB ILE A 12 0.392 2.981 -0.564 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -0.254 5.822 -1.453 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -1.408 4.674 -0.805 1.00 0.00 H new ATOM 0 HG21 ILE A 12 2.237 4.573 -0.190 1.00 0.00 H new ATOM 0 HG22 ILE A 12 2.608 3.407 -1.482 1.00 0.00 H new ATOM 0 HG23 ILE A 12 2.138 5.073 -1.895 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -0.698 6.269 0.917 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -0.173 4.621 1.338 1.00 0.00 H new ATOM 0 HD13 ILE A 12 0.999 5.788 0.680 1.00 0.00 H new ATOM 127 N LEU A 13 -0.651 4.873 -4.372 1.00 0.00 N ATOM 128 CA LEU A 13 -0.521 5.827 -5.457 1.00 0.00 C ATOM 129 C LEU A 13 -1.107 7.164 -5.058 1.00 0.00 C ATOM 130 O LEU A 13 -2.238 7.233 -4.583 1.00 0.00 O ATOM 131 CB LEU A 13 -1.239 5.306 -6.702 1.00 0.00 C ATOM 132 CG LEU A 13 -0.656 4.031 -7.312 1.00 0.00 C ATOM 133 CD1 LEU A 13 -1.559 3.523 -8.422 1.00 0.00 C ATOM 134 CD2 LEU A 13 0.746 4.285 -7.841 1.00 0.00 C ATOM 0 H LEU A 13 -1.611 4.596 -4.168 1.00 0.00 H new ATOM 0 HA LEU A 13 0.539 5.956 -5.678 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -2.283 5.122 -6.448 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -1.229 6.089 -7.461 1.00 0.00 H new ATOM 0 HG LEU A 13 -0.595 3.269 -6.535 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -1.134 2.615 -8.849 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -2.547 3.306 -8.016 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -1.645 4.284 -9.198 1.00 0.00 H new ATOM 0 HD21 LEU A 13 1.145 3.366 -8.271 1.00 0.00 H new ATOM 0 HD22 LEU A 13 0.711 5.059 -8.607 1.00 0.00 H new ATOM 0 HD23 LEU A 13 1.389 4.612 -7.024 1.00 0.00 H new ATOM 146 N GLU A 14 -0.346 8.222 -5.243 1.00 0.00 N ATOM 147 CA GLU A 14 -0.864 9.547 -4.983 1.00 0.00 C ATOM 148 C GLU A 14 -1.651 10.021 -6.188 1.00 0.00 C ATOM 149 O GLU A 14 -1.158 9.981 -7.316 1.00 0.00 O ATOM 150 CB GLU A 14 0.250 10.540 -4.664 1.00 0.00 C ATOM 151 CG GLU A 14 -0.271 11.949 -4.452 1.00 0.00 C ATOM 152 CD GLU A 14 0.810 12.929 -4.071 1.00 0.00 C ATOM 153 OE1 GLU A 14 1.175 12.975 -2.880 1.00 0.00 O ATOM 154 OE2 GLU A 14 1.266 13.688 -4.945 1.00 0.00 O ATOM 0 H GLU A 14 0.620 8.192 -5.568 1.00 0.00 H new ATOM 0 HA GLU A 14 -1.513 9.493 -4.109 1.00 0.00 H new ATOM 0 HB2 GLU A 14 0.778 10.213 -3.769 1.00 0.00 H new ATOM 0 HB3 GLU A 14 0.974 10.543 -5.479 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -0.758 12.291 -5.365 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -1.032 11.935 -3.672 1.00 0.00 H new ATOM 161 N CYS A 15 -2.876 10.446 -5.949 1.00 0.00 N ATOM 162 CA CYS A 15 -3.731 10.907 -7.019 1.00 0.00 C ATOM 163 C CYS A 15 -3.451 12.377 -7.328 1.00 0.00 C ATOM 164 O CYS A 15 -2.726 13.056 -6.594 1.00 0.00 O ATOM 165 CB CYS A 15 -5.197 10.697 -6.639 1.00 0.00 C ATOM 166 SG CYS A 15 -6.371 10.969 -7.990 1.00 0.00 S ATOM 0 H CYS A 15 -3.300 10.481 -5.022 1.00 0.00 H new ATOM 0 HA CYS A 15 -3.521 10.329 -7.919 1.00 0.00 H new ATOM 0 HB2 CYS A 15 -5.320 9.680 -6.267 1.00 0.00 H new ATOM 0 HB3 CYS A 15 -5.446 11.369 -5.818 1.00 0.00 H new ATOM 0 HG CYS A 15 -7.288 11.807 -7.606 1.00 0.00 H new ATOM 172 N LYS A 16 -4.018 12.849 -8.426 1.00 0.00 N ATOM 173 CA LYS A 16 -3.851 14.223 -8.880 1.00 0.00 C ATOM 174 C LYS A 16 -4.369 15.221 -7.844 1.00 0.00 C ATOM 175 O LYS A 16 -3.852 16.332 -7.726 1.00 0.00 O ATOM 176 CB LYS A 16 -4.593 14.412 -10.204 1.00 0.00 C ATOM 177 CG LYS A 16 -6.048 13.980 -10.134 1.00 0.00 C ATOM 178 CD LYS A 16 -6.804 14.318 -11.405 1.00 0.00 C ATOM 179 CE LYS A 16 -8.246 13.844 -11.336 1.00 0.00 C ATOM 180 NZ LYS A 16 -8.930 14.314 -10.104 1.00 0.00 N ATOM 0 H LYS A 16 -4.613 12.286 -9.034 1.00 0.00 H new ATOM 0 HA LYS A 16 -2.787 14.412 -9.020 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -4.545 15.461 -10.495 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -4.087 13.841 -10.983 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -6.099 12.906 -9.957 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -6.530 14.466 -9.286 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -6.781 15.396 -11.568 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -6.308 13.856 -12.259 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -8.788 14.204 -12.211 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -8.271 12.755 -11.371 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -9.956 14.178 -10.203 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -8.586 13.770 -9.287 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -8.727 15.324 -9.958 1.00 0.00 H new ATOM 194 N ASP A 17 -5.383 14.805 -7.096 1.00 0.00 N ATOM 195 CA ASP A 17 -5.993 15.656 -6.083 1.00 0.00 C ATOM 196 C ASP A 17 -5.098 15.780 -4.856 1.00 0.00 C ATOM 197 O ASP A 17 -4.519 16.838 -4.609 1.00 0.00 O ATOM 198 CB ASP A 17 -7.381 15.124 -5.689 1.00 0.00 C ATOM 199 CG ASP A 17 -7.419 13.613 -5.557 1.00 0.00 C ATOM 200 OD1 ASP A 17 -7.021 13.086 -4.494 1.00 0.00 O ATOM 201 OD2 ASP A 17 -7.840 12.946 -6.529 1.00 0.00 O ATOM 0 H ASP A 17 -5.802 13.878 -7.173 1.00 0.00 H new ATOM 0 HA ASP A 17 -6.114 16.651 -6.512 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -7.682 15.574 -4.743 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -8.110 15.437 -6.437 1.00 0.00 H new ATOM 206 N GLY A 18 -4.972 14.709 -4.094 1.00 0.00 N ATOM 207 CA GLY A 18 -4.142 14.760 -2.916 1.00 0.00 C ATOM 208 C GLY A 18 -4.102 13.459 -2.147 1.00 0.00 C ATOM 209 O GLY A 18 -3.118 13.182 -1.457 1.00 0.00 O ATOM 0 H GLY A 18 -5.426 13.812 -4.268 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -3.127 15.031 -3.208 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -4.506 15.550 -2.259 1.00 0.00 H new ATOM 213 N SER A 19 -5.149 12.660 -2.273 1.00 0.00 N ATOM 214 CA SER A 19 -5.270 11.432 -1.498 1.00 0.00 C ATOM 215 C SER A 19 -4.269 10.376 -1.963 1.00 0.00 C ATOM 216 O SER A 19 -4.011 10.229 -3.162 1.00 0.00 O ATOM 217 CB SER A 19 -6.699 10.889 -1.604 1.00 0.00 C ATOM 218 OG SER A 19 -6.892 9.767 -0.755 1.00 0.00 O ATOM 0 H SER A 19 -5.929 12.839 -2.905 1.00 0.00 H new ATOM 0 HA SER A 19 -5.047 11.665 -0.457 1.00 0.00 H new ATOM 0 HB2 SER A 19 -7.408 11.673 -1.340 1.00 0.00 H new ATOM 0 HB3 SER A 19 -6.907 10.606 -2.636 1.00 0.00 H new ATOM 0 HG SER A 19 -7.813 9.444 -0.844 1.00 0.00 H new ATOM 224 N TRP A 20 -3.690 9.659 -1.002 1.00 0.00 N ATOM 225 CA TRP A 20 -2.842 8.516 -1.305 1.00 0.00 C ATOM 226 C TRP A 20 -3.690 7.249 -1.326 1.00 0.00 C ATOM 227 O TRP A 20 -4.347 6.911 -0.341 1.00 0.00 O ATOM 228 CB TRP A 20 -1.707 8.356 -0.285 1.00 0.00 C ATOM 229 CG TRP A 20 -0.691 9.458 -0.313 1.00 0.00 C ATOM 230 CD1 TRP A 20 -0.410 10.291 -1.354 1.00 0.00 C ATOM 231 CD2 TRP A 20 0.205 9.824 0.745 1.00 0.00 C ATOM 232 NE1 TRP A 20 0.597 11.157 -1.007 1.00 0.00 N ATOM 233 CE2 TRP A 20 0.992 10.891 0.275 1.00 0.00 C ATOM 234 CE3 TRP A 20 0.417 9.355 2.045 1.00 0.00 C ATOM 235 CZ2 TRP A 20 1.972 11.495 1.056 1.00 0.00 C ATOM 236 CZ3 TRP A 20 1.390 9.955 2.821 1.00 0.00 C ATOM 237 CH2 TRP A 20 2.157 11.015 2.324 1.00 0.00 C ATOM 0 H TRP A 20 -3.795 9.853 -0.006 1.00 0.00 H new ATOM 0 HA TRP A 20 -2.388 8.686 -2.281 1.00 0.00 H new ATOM 0 HB2 TRP A 20 -2.138 8.301 0.715 1.00 0.00 H new ATOM 0 HB3 TRP A 20 -1.202 7.407 -0.467 1.00 0.00 H new ATOM 0 HD1 TRP A 20 -0.907 10.273 -2.313 1.00 0.00 H new ATOM 0 HE1 TRP A 20 0.988 11.882 -1.609 1.00 0.00 H new ATOM 0 HE3 TRP A 20 -0.170 8.537 2.436 1.00 0.00 H new ATOM 0 HZ2 TRP A 20 2.565 12.313 0.675 1.00 0.00 H new ATOM 0 HZ3 TRP A 20 1.561 9.601 3.827 1.00 0.00 H new ATOM 0 HH2 TRP A 20 2.911 11.463 2.954 1.00 0.00 H new ATOM 248 N TYR A 21 -3.666 6.549 -2.445 1.00 0.00 N ATOM 249 CA TYR A 21 -4.521 5.391 -2.636 1.00 0.00 C ATOM 250 C TYR A 21 -3.770 4.112 -2.295 1.00 0.00 C ATOM 251 O TYR A 21 -2.910 3.668 -3.053 1.00 0.00 O ATOM 252 CB TYR A 21 -5.028 5.339 -4.082 1.00 0.00 C ATOM 253 CG TYR A 21 -6.014 4.223 -4.352 1.00 0.00 C ATOM 254 CD1 TYR A 21 -7.347 4.342 -3.974 1.00 0.00 C ATOM 255 CD2 TYR A 21 -5.618 3.057 -4.993 1.00 0.00 C ATOM 256 CE1 TYR A 21 -8.255 3.333 -4.228 1.00 0.00 C ATOM 257 CE2 TYR A 21 -6.520 2.043 -5.249 1.00 0.00 C ATOM 258 CZ TYR A 21 -7.838 2.186 -4.864 1.00 0.00 C ATOM 259 OH TYR A 21 -8.741 1.179 -5.122 1.00 0.00 O ATOM 0 H TYR A 21 -3.062 6.763 -3.238 1.00 0.00 H new ATOM 0 HA TYR A 21 -5.377 5.479 -1.967 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -5.499 6.292 -4.325 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -4.175 5.225 -4.751 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -7.678 5.240 -3.473 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -4.588 2.941 -5.296 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -9.287 3.443 -3.929 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -6.196 1.142 -5.748 1.00 0.00 H new ATOM 0 HH TYR A 21 -8.286 0.440 -5.577 1.00 0.00 H new ATOM 269 N THR A 22 -4.080 3.539 -1.141 1.00 0.00 N ATOM 270 CA THR A 22 -3.474 2.285 -0.726 1.00 0.00 C ATOM 271 C THR A 22 -4.279 1.104 -1.274 1.00 0.00 C ATOM 272 O THR A 22 -5.300 0.715 -0.703 1.00 0.00 O ATOM 273 CB THR A 22 -3.391 2.196 0.810 1.00 0.00 C ATOM 274 OG1 THR A 22 -2.897 3.437 1.343 1.00 0.00 O ATOM 275 CG2 THR A 22 -2.476 1.057 1.235 1.00 0.00 C ATOM 0 H THR A 22 -4.749 3.925 -0.475 1.00 0.00 H new ATOM 0 HA THR A 22 -2.462 2.247 -1.128 1.00 0.00 H new ATOM 0 HB THR A 22 -4.391 2.003 1.199 1.00 0.00 H new ATOM 0 HG1 THR A 22 -2.847 3.377 2.320 1.00 0.00 H new ATOM 0 HG21 THR A 22 -2.432 1.012 2.323 1.00 0.00 H new ATOM 0 HG22 THR A 22 -2.864 0.115 0.849 1.00 0.00 H new ATOM 0 HG23 THR A 22 -1.475 1.227 0.838 1.00 0.00 H new ATOM 283 N GLY A 23 -3.830 0.564 -2.394 1.00 0.00 N ATOM 284 CA GLY A 23 -4.551 -0.509 -3.046 1.00 0.00 C ATOM 285 C GLY A 23 -3.921 -1.860 -2.785 1.00 0.00 C ATOM 286 O GLY A 23 -2.758 -1.943 -2.384 1.00 0.00 O ATOM 0 H GLY A 23 -2.973 0.851 -2.867 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -5.583 -0.517 -2.695 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -4.581 -0.325 -4.120 1.00 0.00 H new ATOM 290 N TYR A 24 -4.681 -2.917 -3.031 1.00 0.00 N ATOM 291 CA TYR A 24 -4.233 -4.269 -2.747 1.00 0.00 C ATOM 292 C TYR A 24 -4.636 -5.208 -3.883 1.00 0.00 C ATOM 293 O TYR A 24 -5.824 -5.428 -4.125 1.00 0.00 O ATOM 294 CB TYR A 24 -4.861 -4.727 -1.431 1.00 0.00 C ATOM 295 CG TYR A 24 -4.403 -6.079 -0.936 1.00 0.00 C ATOM 296 CD1 TYR A 24 -3.236 -6.211 -0.197 1.00 0.00 C ATOM 297 CD2 TYR A 24 -5.158 -7.220 -1.176 1.00 0.00 C ATOM 298 CE1 TYR A 24 -2.831 -7.441 0.284 1.00 0.00 C ATOM 299 CE2 TYR A 24 -4.757 -8.454 -0.702 1.00 0.00 C ATOM 300 CZ TYR A 24 -3.596 -8.557 0.032 1.00 0.00 C ATOM 301 OH TYR A 24 -3.200 -9.782 0.521 1.00 0.00 O ATOM 0 H TYR A 24 -5.618 -2.861 -3.430 1.00 0.00 H new ATOM 0 HA TYR A 24 -3.147 -4.287 -2.661 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -4.642 -3.984 -0.664 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -5.944 -4.750 -1.552 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -2.634 -5.337 0.006 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -6.074 -7.141 -1.743 1.00 0.00 H new ATOM 0 HE1 TYR A 24 -1.918 -7.526 0.855 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -5.350 -9.333 -0.906 1.00 0.00 H new ATOM 0 HH TYR A 24 -2.892 -10.346 -0.219 1.00 0.00 H new ATOM 311 N THR A 25 -3.653 -5.745 -4.586 1.00 0.00 N ATOM 312 CA THR A 25 -3.918 -6.676 -5.674 1.00 0.00 C ATOM 313 C THR A 25 -3.120 -7.960 -5.471 1.00 0.00 C ATOM 314 O THR A 25 -1.978 -7.930 -5.006 1.00 0.00 O ATOM 315 CB THR A 25 -3.583 -6.049 -7.051 1.00 0.00 C ATOM 316 OG1 THR A 25 -3.858 -6.980 -8.108 1.00 0.00 O ATOM 317 CG2 THR A 25 -2.126 -5.614 -7.123 1.00 0.00 C ATOM 0 H THR A 25 -2.664 -5.554 -4.424 1.00 0.00 H new ATOM 0 HA THR A 25 -4.983 -6.910 -5.664 1.00 0.00 H new ATOM 0 HB THR A 25 -4.214 -5.168 -7.171 1.00 0.00 H new ATOM 0 HG1 THR A 25 -4.722 -6.765 -8.517 1.00 0.00 H new ATOM 0 HG21 THR A 25 -1.924 -5.179 -8.102 1.00 0.00 H new ATOM 0 HG22 THR A 25 -1.929 -4.873 -6.348 1.00 0.00 H new ATOM 0 HG23 THR A 25 -1.480 -6.479 -6.971 1.00 0.00 H new ATOM 325 N THR A 26 -3.739 -9.094 -5.772 1.00 0.00 N ATOM 326 CA THR A 26 -3.074 -10.379 -5.642 1.00 0.00 C ATOM 327 C THR A 26 -3.514 -11.360 -6.727 1.00 0.00 C ATOM 328 O THR A 26 -4.375 -12.218 -6.505 1.00 0.00 O ATOM 329 CB THR A 26 -3.317 -11.002 -4.252 1.00 0.00 C ATOM 330 OG1 THR A 26 -2.916 -10.081 -3.229 1.00 0.00 O ATOM 331 CG2 THR A 26 -2.540 -12.305 -4.099 1.00 0.00 C ATOM 0 H THR A 26 -4.701 -9.148 -6.108 1.00 0.00 H new ATOM 0 HA THR A 26 -2.008 -10.188 -5.762 1.00 0.00 H new ATOM 0 HB THR A 26 -4.381 -11.217 -4.154 1.00 0.00 H new ATOM 0 HG1 THR A 26 -2.640 -10.578 -2.431 1.00 0.00 H new ATOM 0 HG21 THR A 26 -2.727 -12.726 -3.111 1.00 0.00 H new ATOM 0 HG22 THR A 26 -2.863 -13.013 -4.862 1.00 0.00 H new ATOM 0 HG23 THR A 26 -1.474 -12.109 -4.214 1.00 0.00 H new ATOM 351 N VAL A 28 -1.487 -13.595 -10.077 1.00 0.00 N ATOM 352 CA VAL A 28 -0.190 -13.957 -10.645 1.00 0.00 C ATOM 353 C VAL A 28 0.120 -13.155 -11.917 1.00 0.00 C ATOM 354 O VAL A 28 1.283 -12.875 -12.219 1.00 0.00 O ATOM 355 CB VAL A 28 -0.114 -15.475 -10.945 1.00 0.00 C ATOM 356 CG1 VAL A 28 -1.115 -15.881 -12.019 1.00 0.00 C ATOM 357 CG2 VAL A 28 1.299 -15.886 -11.339 1.00 0.00 C ATOM 0 HA VAL A 28 0.562 -13.709 -9.896 1.00 0.00 H new ATOM 0 HB VAL A 28 -0.377 -16.003 -10.028 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -1.035 -16.952 -12.205 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -2.125 -15.646 -11.683 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -0.903 -15.336 -12.939 1.00 0.00 H new ATOM 0 HG21 VAL A 28 1.323 -16.956 -11.544 1.00 0.00 H new ATOM 0 HG22 VAL A 28 1.601 -15.339 -12.232 1.00 0.00 H new ATOM 0 HG23 VAL A 28 1.985 -15.657 -10.524 1.00 0.00 H new ATOM 367 N ASP A 29 -0.933 -12.767 -12.632 1.00 0.00 N ATOM 368 CA ASP A 29 -0.799 -12.059 -13.901 1.00 0.00 C ATOM 369 C ASP A 29 -0.080 -10.729 -13.716 1.00 0.00 C ATOM 370 O ASP A 29 0.642 -10.277 -14.601 1.00 0.00 O ATOM 371 CB ASP A 29 -2.181 -11.810 -14.508 1.00 0.00 C ATOM 372 CG ASP A 29 -2.982 -13.079 -14.707 1.00 0.00 C ATOM 373 OD1 ASP A 29 -3.632 -13.536 -13.737 1.00 0.00 O ATOM 374 OD2 ASP A 29 -2.995 -13.611 -15.837 1.00 0.00 O ATOM 0 H ASP A 29 -1.899 -12.934 -12.349 1.00 0.00 H new ATOM 0 HA ASP A 29 -0.208 -12.681 -14.573 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -2.739 -11.134 -13.860 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -2.064 -11.308 -15.468 1.00 0.00 H new ATOM 379 N ARG A 30 -0.281 -10.122 -12.549 1.00 0.00 N ATOM 380 CA ARG A 30 0.329 -8.840 -12.212 1.00 0.00 C ATOM 381 C ARG A 30 1.823 -8.820 -12.478 1.00 0.00 C ATOM 382 O ARG A 30 2.320 -8.013 -13.268 1.00 0.00 O ATOM 383 CB ARG A 30 0.105 -8.518 -10.733 1.00 0.00 C ATOM 384 CG ARG A 30 -1.311 -8.109 -10.412 1.00 0.00 C ATOM 385 CD ARG A 30 -1.693 -6.855 -11.170 1.00 0.00 C ATOM 386 NE ARG A 30 -3.059 -6.442 -10.855 1.00 0.00 N ATOM 387 CZ ARG A 30 -3.762 -5.553 -11.554 1.00 0.00 C ATOM 388 NH1 ARG A 30 -3.221 -4.932 -12.599 1.00 0.00 N ATOM 389 NH2 ARG A 30 -5.015 -5.287 -11.207 1.00 0.00 N ATOM 0 H ARG A 30 -0.871 -10.506 -11.811 1.00 0.00 H new ATOM 0 HA ARG A 30 -0.148 -8.095 -12.849 1.00 0.00 H new ATOM 0 HB2 ARG A 30 0.366 -9.392 -10.136 1.00 0.00 H new ATOM 0 HB3 ARG A 30 0.782 -7.716 -10.438 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -1.995 -8.918 -10.669 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -1.410 -7.936 -9.340 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -1.001 -6.051 -10.920 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -1.602 -7.033 -12.242 1.00 0.00 H new ATOM 0 HE ARG A 30 -3.506 -6.865 -10.042 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -2.259 -5.135 -12.871 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -3.768 -4.253 -13.128 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -5.435 -5.763 -10.408 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -5.558 -4.607 -11.739 1.00 0.00 H new ATOM 403 N ARG A 31 2.531 -9.714 -11.816 1.00 0.00 N ATOM 404 CA ARG A 31 3.975 -9.628 -11.763 1.00 0.00 C ATOM 405 C ARG A 31 4.616 -10.084 -13.071 1.00 0.00 C ATOM 406 O ARG A 31 5.518 -9.422 -13.592 1.00 0.00 O ATOM 407 CB ARG A 31 4.509 -10.457 -10.595 1.00 0.00 C ATOM 408 CG ARG A 31 5.996 -10.280 -10.343 1.00 0.00 C ATOM 409 CD ARG A 31 6.480 -11.177 -9.216 1.00 0.00 C ATOM 410 NE ARG A 31 7.854 -10.871 -8.810 1.00 0.00 N ATOM 411 CZ ARG A 31 8.784 -11.798 -8.583 1.00 0.00 C ATOM 412 NH1 ARG A 31 8.538 -13.078 -8.854 1.00 0.00 N ATOM 413 NH2 ARG A 31 9.975 -11.443 -8.121 1.00 0.00 N ATOM 0 H ARG A 31 2.131 -10.504 -11.310 1.00 0.00 H new ATOM 0 HA ARG A 31 4.240 -8.582 -11.613 1.00 0.00 H new ATOM 0 HB2 ARG A 31 3.963 -10.187 -9.691 1.00 0.00 H new ATOM 0 HB3 ARG A 31 4.306 -11.511 -10.787 1.00 0.00 H new ATOM 0 HG2 ARG A 31 6.550 -10.507 -11.254 1.00 0.00 H new ATOM 0 HG3 ARG A 31 6.203 -9.239 -10.095 1.00 0.00 H new ATOM 0 HD2 ARG A 31 5.817 -11.067 -8.358 1.00 0.00 H new ATOM 0 HD3 ARG A 31 6.421 -12.218 -9.533 1.00 0.00 H new ATOM 0 HE ARG A 31 8.114 -9.891 -8.694 1.00 0.00 H new ATOM 0 HH11 ARG A 31 7.634 -13.353 -9.237 1.00 0.00 H new ATOM 0 HH12 ARG A 31 9.254 -13.783 -8.678 1.00 0.00 H new ATOM 0 HH21 ARG A 31 10.179 -10.460 -7.939 1.00 0.00 H new ATOM 0 HH22 ARG A 31 10.687 -12.153 -7.947 1.00 0.00 H new ATOM 427 N ILE A 32 4.157 -11.219 -13.594 1.00 0.00 N ATOM 428 CA ILE A 32 4.722 -11.780 -14.813 1.00 0.00 C ATOM 429 C ILE A 32 4.559 -10.819 -15.994 1.00 0.00 C ATOM 430 O ILE A 32 5.517 -10.560 -16.724 1.00 0.00 O ATOM 431 CB ILE A 32 4.107 -13.165 -15.152 1.00 0.00 C ATOM 432 CG1 ILE A 32 4.701 -13.709 -16.458 1.00 0.00 C ATOM 433 CG2 ILE A 32 2.586 -13.092 -15.236 1.00 0.00 C ATOM 434 CD1 ILE A 32 4.225 -15.101 -16.812 1.00 0.00 C ATOM 0 H ILE A 32 3.396 -11.766 -13.191 1.00 0.00 H new ATOM 0 HA ILE A 32 5.787 -11.925 -14.631 1.00 0.00 H new ATOM 0 HB ILE A 32 4.358 -13.852 -14.344 1.00 0.00 H new ATOM 0 HG12 ILE A 32 4.447 -13.030 -17.272 1.00 0.00 H new ATOM 0 HG13 ILE A 32 5.788 -13.717 -16.377 1.00 0.00 H new ATOM 0 HG21 ILE A 32 2.187 -14.078 -15.475 1.00 0.00 H new ATOM 0 HG22 ILE A 32 2.184 -12.760 -14.279 1.00 0.00 H new ATOM 0 HG23 ILE A 32 2.298 -12.386 -16.015 1.00 0.00 H new ATOM 0 HD11 ILE A 32 4.688 -15.417 -17.747 1.00 0.00 H new ATOM 0 HD12 ILE A 32 4.503 -15.794 -16.017 1.00 0.00 H new ATOM 0 HD13 ILE A 32 3.141 -15.097 -16.927 1.00 0.00 H new ATOM 446 N LYS A 33 3.358 -10.273 -16.155 1.00 0.00 N ATOM 447 CA LYS A 33 3.079 -9.348 -17.245 1.00 0.00 C ATOM 448 C LYS A 33 3.967 -8.111 -17.129 1.00 0.00 C ATOM 449 O LYS A 33 4.532 -7.648 -18.122 1.00 0.00 O ATOM 450 CB LYS A 33 1.593 -8.963 -17.246 1.00 0.00 C ATOM 451 CG LYS A 33 1.090 -8.376 -18.560 1.00 0.00 C ATOM 452 CD LYS A 33 1.487 -6.920 -18.741 1.00 0.00 C ATOM 453 CE LYS A 33 0.999 -6.374 -20.072 1.00 0.00 C ATOM 454 NZ LYS A 33 -0.477 -6.468 -20.208 1.00 0.00 N ATOM 0 H LYS A 33 2.562 -10.456 -15.543 1.00 0.00 H new ATOM 0 HA LYS A 33 3.303 -9.838 -18.193 1.00 0.00 H new ATOM 0 HB2 LYS A 33 1.002 -9.848 -17.009 1.00 0.00 H new ATOM 0 HB3 LYS A 33 1.418 -8.240 -16.450 1.00 0.00 H new ATOM 0 HG2 LYS A 33 1.485 -8.962 -19.390 1.00 0.00 H new ATOM 0 HG3 LYS A 33 0.004 -8.460 -18.599 1.00 0.00 H new ATOM 0 HD2 LYS A 33 1.072 -6.324 -17.928 1.00 0.00 H new ATOM 0 HD3 LYS A 33 2.572 -6.827 -18.683 1.00 0.00 H new ATOM 0 HE2 LYS A 33 1.306 -5.333 -20.170 1.00 0.00 H new ATOM 0 HE3 LYS A 33 1.473 -6.924 -20.885 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -0.788 -5.894 -21.018 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -0.749 -7.460 -20.361 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -0.929 -6.115 -19.340 1.00 0.00 H new ATOM 468 N LYS A 34 4.100 -7.593 -15.909 1.00 0.00 N ATOM 469 CA LYS A 34 4.924 -6.415 -15.667 1.00 0.00 C ATOM 470 C LYS A 34 6.383 -6.679 -16.041 1.00 0.00 C ATOM 471 O LYS A 34 7.086 -5.782 -16.494 1.00 0.00 O ATOM 472 CB LYS A 34 4.831 -5.966 -14.208 1.00 0.00 C ATOM 473 CG LYS A 34 5.469 -4.609 -13.962 1.00 0.00 C ATOM 474 CD LYS A 34 5.336 -4.160 -12.514 1.00 0.00 C ATOM 475 CE LYS A 34 5.827 -2.731 -12.336 1.00 0.00 C ATOM 476 NZ LYS A 34 4.970 -1.750 -13.059 1.00 0.00 N ATOM 0 H LYS A 34 3.648 -7.971 -15.076 1.00 0.00 H new ATOM 0 HA LYS A 34 4.542 -5.614 -16.300 1.00 0.00 H new ATOM 0 HB2 LYS A 34 3.783 -5.927 -13.912 1.00 0.00 H new ATOM 0 HB3 LYS A 34 5.314 -6.709 -13.574 1.00 0.00 H new ATOM 0 HG2 LYS A 34 6.524 -4.653 -14.231 1.00 0.00 H new ATOM 0 HG3 LYS A 34 5.005 -3.869 -14.613 1.00 0.00 H new ATOM 0 HD2 LYS A 34 4.294 -4.231 -12.202 1.00 0.00 H new ATOM 0 HD3 LYS A 34 5.908 -4.827 -11.869 1.00 0.00 H new ATOM 0 HE2 LYS A 34 5.844 -2.484 -11.275 1.00 0.00 H new ATOM 0 HE3 LYS A 34 6.852 -2.653 -12.698 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 5.151 -0.794 -12.692 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 5.191 -1.778 -14.075 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 3.969 -1.992 -12.916 1.00 0.00 H new ATOM 490 N HIS A 35 6.836 -7.912 -15.854 1.00 0.00 N ATOM 491 CA HIS A 35 8.201 -8.277 -16.224 1.00 0.00 C ATOM 492 C HIS A 35 8.312 -8.482 -17.727 1.00 0.00 C ATOM 493 O HIS A 35 9.311 -8.109 -18.338 1.00 0.00 O ATOM 494 CB HIS A 35 8.656 -9.544 -15.491 1.00 0.00 C ATOM 495 CG HIS A 35 8.958 -9.327 -14.045 1.00 0.00 C ATOM 496 ND1 HIS A 35 8.672 -10.252 -13.068 1.00 0.00 N ATOM 497 CD2 HIS A 35 9.538 -8.281 -13.411 1.00 0.00 C ATOM 498 CE1 HIS A 35 9.062 -9.787 -11.899 1.00 0.00 C ATOM 499 NE2 HIS A 35 9.590 -8.593 -12.076 1.00 0.00 N ATOM 0 H HIS A 35 6.286 -8.671 -15.452 1.00 0.00 H new ATOM 0 HA HIS A 35 8.853 -7.455 -15.928 1.00 0.00 H new ATOM 0 HB2 HIS A 35 7.879 -10.303 -15.581 1.00 0.00 H new ATOM 0 HB3 HIS A 35 9.545 -9.938 -15.983 1.00 0.00 H new ATOM 0 HD2 HIS A 35 9.894 -7.371 -13.870 1.00 0.00 H new ATOM 0 HE1 HIS A 35 8.965 -10.299 -10.953 1.00 0.00 H new ATOM 0 HE2 HIS A 35 9.974 -7.999 -11.342 1.00 0.00 H new ATOM 508 N ALA A 36 7.289 -9.086 -18.314 1.00 0.00 N ATOM 509 CA ALA A 36 7.256 -9.326 -19.750 1.00 0.00 C ATOM 510 C ALA A 36 7.309 -8.019 -20.534 1.00 0.00 C ATOM 511 O ALA A 36 8.141 -7.854 -21.424 1.00 0.00 O ATOM 512 CB ALA A 36 6.012 -10.117 -20.125 1.00 0.00 C ATOM 0 H ALA A 36 6.465 -9.421 -17.814 1.00 0.00 H new ATOM 0 HA ALA A 36 8.139 -9.909 -20.012 1.00 0.00 H new ATOM 0 HB1 ALA A 36 6.001 -10.289 -21.201 1.00 0.00 H new ATOM 0 HB2 ALA A 36 6.019 -11.075 -19.605 1.00 0.00 H new ATOM 0 HB3 ALA A 36 5.123 -9.555 -19.838 1.00 0.00 H new ATOM 518 N SER A 37 6.428 -7.091 -20.191 1.00 0.00 N ATOM 519 CA SER A 37 6.354 -5.810 -20.884 1.00 0.00 C ATOM 520 C SER A 37 7.391 -4.831 -20.348 1.00 0.00 C ATOM 521 O SER A 37 7.786 -3.887 -21.037 1.00 0.00 O ATOM 522 CB SER A 37 4.959 -5.214 -20.713 1.00 0.00 C ATOM 523 OG SER A 37 3.961 -6.115 -21.166 1.00 0.00 O ATOM 0 H SER A 37 5.752 -7.200 -19.435 1.00 0.00 H new ATOM 0 HA SER A 37 6.559 -5.984 -21.940 1.00 0.00 H new ATOM 0 HB2 SER A 37 4.788 -4.975 -19.663 1.00 0.00 H new ATOM 0 HB3 SER A 37 4.889 -4.279 -21.269 1.00 0.00 H new ATOM 0 HG SER A 37 3.190 -5.609 -21.498 1.00 0.00 H new ATOM 708 N PHE A 50 -1.203 10.603 -11.509 1.00 0.00 N ATOM 709 CA PHE A 50 -0.854 9.715 -10.416 1.00 0.00 C ATOM 710 C PHE A 50 0.660 9.663 -10.268 1.00 0.00 C ATOM 711 O PHE A 50 1.396 9.894 -11.231 1.00 0.00 O ATOM 712 CB PHE A 50 -1.408 8.305 -10.665 1.00 0.00 C ATOM 713 CG PHE A 50 -0.657 7.531 -11.715 1.00 0.00 C ATOM 714 CD1 PHE A 50 -0.760 7.863 -13.057 1.00 0.00 C ATOM 715 CD2 PHE A 50 0.154 6.467 -11.354 1.00 0.00 C ATOM 716 CE1 PHE A 50 -0.067 7.153 -14.017 1.00 0.00 C ATOM 717 CE2 PHE A 50 0.851 5.752 -12.308 1.00 0.00 C ATOM 718 CZ PHE A 50 0.739 6.096 -13.643 1.00 0.00 C ATOM 0 HA PHE A 50 -1.296 10.098 -9.496 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -1.385 7.746 -9.730 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -2.453 8.384 -10.964 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -1.390 8.688 -13.355 1.00 0.00 H new ATOM 0 HD2 PHE A 50 0.242 6.193 -10.313 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -0.155 7.424 -15.059 1.00 0.00 H new ATOM 0 HE2 PHE A 50 1.482 4.927 -12.013 1.00 0.00 H new ATOM 0 HZ PHE A 50 1.281 5.538 -14.392 1.00 0.00 H new ATOM 728 N ARG A 51 1.120 9.387 -9.065 1.00 0.00 N ATOM 729 CA ARG A 51 2.538 9.178 -8.820 1.00 0.00 C ATOM 730 C ARG A 51 2.734 8.060 -7.812 1.00 0.00 C ATOM 731 O ARG A 51 2.091 8.034 -6.760 1.00 0.00 O ATOM 732 CB ARG A 51 3.216 10.471 -8.343 1.00 0.00 C ATOM 733 CG ARG A 51 2.493 11.157 -7.199 1.00 0.00 C ATOM 734 CD ARG A 51 3.196 12.436 -6.770 1.00 0.00 C ATOM 735 NE ARG A 51 4.434 12.183 -6.026 1.00 0.00 N ATOM 736 CZ ARG A 51 4.769 12.835 -4.906 1.00 0.00 C ATOM 737 NH1 ARG A 51 3.913 13.688 -4.352 1.00 0.00 N ATOM 738 NH2 ARG A 51 5.944 12.611 -4.325 1.00 0.00 N ATOM 0 H ARG A 51 0.532 9.301 -8.236 1.00 0.00 H new ATOM 0 HA ARG A 51 3.009 8.888 -9.759 1.00 0.00 H new ATOM 0 HB2 ARG A 51 4.235 10.242 -8.031 1.00 0.00 H new ATOM 0 HB3 ARG A 51 3.288 11.163 -9.182 1.00 0.00 H new ATOM 0 HG2 ARG A 51 1.472 11.388 -7.501 1.00 0.00 H new ATOM 0 HG3 ARG A 51 2.428 10.476 -6.350 1.00 0.00 H new ATOM 0 HD2 ARG A 51 3.424 13.033 -7.653 1.00 0.00 H new ATOM 0 HD3 ARG A 51 2.520 13.026 -6.151 1.00 0.00 H new ATOM 0 HE ARG A 51 5.074 11.472 -6.381 1.00 0.00 H new ATOM 0 HH11 ARG A 51 3.001 13.846 -4.780 1.00 0.00 H new ATOM 0 HH12 ARG A 51 4.168 14.185 -3.499 1.00 0.00 H new ATOM 0 HH21 ARG A 51 6.595 11.940 -4.733 1.00 0.00 H new ATOM 0 HH22 ARG A 51 6.194 13.110 -3.472 1.00 0.00 H new ATOM 752 N LEU A 52 3.602 7.121 -8.156 1.00 0.00 N ATOM 753 CA LEU A 52 3.890 5.994 -7.287 1.00 0.00 C ATOM 754 C LEU A 52 4.763 6.428 -6.122 1.00 0.00 C ATOM 755 O LEU A 52 5.822 7.024 -6.313 1.00 0.00 O ATOM 756 CB LEU A 52 4.575 4.874 -8.075 1.00 0.00 C ATOM 757 CG LEU A 52 5.031 3.674 -7.244 1.00 0.00 C ATOM 758 CD1 LEU A 52 3.847 3.024 -6.545 1.00 0.00 C ATOM 759 CD2 LEU A 52 5.750 2.662 -8.121 1.00 0.00 C ATOM 0 H LEU A 52 4.120 7.119 -9.035 1.00 0.00 H new ATOM 0 HA LEU A 52 2.948 5.616 -6.891 1.00 0.00 H new ATOM 0 HB2 LEU A 52 3.889 4.522 -8.845 1.00 0.00 H new ATOM 0 HB3 LEU A 52 5.442 5.291 -8.587 1.00 0.00 H new ATOM 0 HG LEU A 52 5.726 4.029 -6.483 1.00 0.00 H new ATOM 0 HD11 LEU A 52 4.193 2.172 -5.959 1.00 0.00 H new ATOM 0 HD12 LEU A 52 3.371 3.749 -5.885 1.00 0.00 H new ATOM 0 HD13 LEU A 52 3.127 2.684 -7.289 1.00 0.00 H new ATOM 0 HD21 LEU A 52 6.068 1.815 -7.513 1.00 0.00 H new ATOM 0 HD22 LEU A 52 5.076 2.315 -8.904 1.00 0.00 H new ATOM 0 HD23 LEU A 52 6.623 3.130 -8.576 1.00 0.00 H new ATOM 771 N VAL A 53 4.305 6.149 -4.916 1.00 0.00 N ATOM 772 CA VAL A 53 5.088 6.445 -3.734 1.00 0.00 C ATOM 773 C VAL A 53 5.960 5.245 -3.385 1.00 0.00 C ATOM 774 O VAL A 53 7.179 5.363 -3.274 1.00 0.00 O ATOM 775 CB VAL A 53 4.195 6.805 -2.532 1.00 0.00 C ATOM 776 CG1 VAL A 53 5.038 7.231 -1.338 1.00 0.00 C ATOM 777 CG2 VAL A 53 3.201 7.896 -2.907 1.00 0.00 C ATOM 0 H VAL A 53 3.399 5.720 -4.731 1.00 0.00 H new ATOM 0 HA VAL A 53 5.714 7.310 -3.955 1.00 0.00 H new ATOM 0 HB VAL A 53 3.634 5.915 -2.249 1.00 0.00 H new ATOM 0 HG11 VAL A 53 4.385 7.480 -0.502 1.00 0.00 H new ATOM 0 HG12 VAL A 53 5.700 6.414 -1.050 1.00 0.00 H new ATOM 0 HG13 VAL A 53 5.633 8.104 -1.606 1.00 0.00 H new ATOM 0 HG21 VAL A 53 2.580 8.135 -2.044 1.00 0.00 H new ATOM 0 HG22 VAL A 53 3.742 8.788 -3.223 1.00 0.00 H new ATOM 0 HG23 VAL A 53 2.568 7.547 -3.723 1.00 0.00 H new ATOM 787 N ALA A 54 5.329 4.086 -3.232 1.00 0.00 N ATOM 788 CA ALA A 54 6.051 2.853 -2.951 1.00 0.00 C ATOM 789 C ALA A 54 5.206 1.634 -3.294 1.00 0.00 C ATOM 790 O ALA A 54 3.974 1.702 -3.287 1.00 0.00 O ATOM 791 CB ALA A 54 6.482 2.806 -1.493 1.00 0.00 C ATOM 0 H ALA A 54 4.317 3.976 -3.298 1.00 0.00 H new ATOM 0 HA ALA A 54 6.942 2.835 -3.578 1.00 0.00 H new ATOM 0 HB1 ALA A 54 7.020 1.877 -1.302 1.00 0.00 H new ATOM 0 HB2 ALA A 54 7.133 3.653 -1.279 1.00 0.00 H new ATOM 0 HB3 ALA A 54 5.602 2.854 -0.852 1.00 0.00 H new ATOM 797 N THR A 55 5.876 0.527 -3.596 1.00 0.00 N ATOM 798 CA THR A 55 5.209 -0.733 -3.897 1.00 0.00 C ATOM 799 C THR A 55 5.875 -1.886 -3.152 1.00 0.00 C ATOM 800 O THR A 55 7.096 -2.059 -3.217 1.00 0.00 O ATOM 801 CB THR A 55 5.217 -1.033 -5.410 1.00 0.00 C ATOM 802 OG1 THR A 55 6.341 -0.401 -6.042 1.00 0.00 O ATOM 803 CG2 THR A 55 3.926 -0.578 -6.068 1.00 0.00 C ATOM 0 H THR A 55 6.894 0.479 -3.639 1.00 0.00 H new ATOM 0 HA THR A 55 4.174 -0.635 -3.568 1.00 0.00 H new ATOM 0 HB THR A 55 5.301 -2.113 -5.534 1.00 0.00 H new ATOM 0 HG1 THR A 55 6.333 -0.602 -7.001 1.00 0.00 H new ATOM 0 HG21 THR A 55 3.962 -0.803 -7.134 1.00 0.00 H new ATOM 0 HG22 THR A 55 3.083 -1.100 -5.615 1.00 0.00 H new ATOM 0 HG23 THR A 55 3.805 0.496 -5.928 1.00 0.00 H new ATOM 811 N TRP A 56 5.075 -2.660 -2.436 1.00 0.00 N ATOM 812 CA TRP A 56 5.580 -3.796 -1.675 1.00 0.00 C ATOM 813 C TRP A 56 4.995 -5.096 -2.215 1.00 0.00 C ATOM 814 O TRP A 56 3.784 -5.210 -2.394 1.00 0.00 O ATOM 815 CB TRP A 56 5.217 -3.642 -0.197 1.00 0.00 C ATOM 816 CG TRP A 56 5.759 -2.397 0.437 1.00 0.00 C ATOM 817 CD1 TRP A 56 6.980 -2.245 1.023 1.00 0.00 C ATOM 818 CD2 TRP A 56 5.094 -1.132 0.556 1.00 0.00 C ATOM 819 NE1 TRP A 56 7.120 -0.963 1.496 1.00 0.00 N ATOM 820 CE2 TRP A 56 5.976 -0.261 1.222 1.00 0.00 C ATOM 821 CE3 TRP A 56 3.841 -0.649 0.165 1.00 0.00 C ATOM 822 CZ2 TRP A 56 5.646 1.061 1.503 1.00 0.00 C ATOM 823 CZ3 TRP A 56 3.514 0.663 0.445 1.00 0.00 C ATOM 824 CH2 TRP A 56 4.415 1.505 1.109 1.00 0.00 C ATOM 0 H TRP A 56 4.067 -2.522 -2.365 1.00 0.00 H new ATOM 0 HA TRP A 56 6.665 -3.827 -1.776 1.00 0.00 H new ATOM 0 HB2 TRP A 56 4.132 -3.645 -0.098 1.00 0.00 H new ATOM 0 HB3 TRP A 56 5.590 -4.508 0.350 1.00 0.00 H new ATOM 0 HD1 TRP A 56 7.728 -3.020 1.104 1.00 0.00 H new ATOM 0 HE1 TRP A 56 7.942 -0.594 1.974 1.00 0.00 H new ATOM 0 HE3 TRP A 56 3.141 -1.292 -0.348 1.00 0.00 H new ATOM 0 HZ2 TRP A 56 6.338 1.713 2.014 1.00 0.00 H new ATOM 0 HZ3 TRP A 56 2.549 1.046 0.147 1.00 0.00 H new ATOM 0 HH2 TRP A 56 4.131 2.527 1.314 1.00 0.00 H new ATOM 835 N ALA A 57 5.854 -6.068 -2.477 1.00 0.00 N ATOM 836 CA ALA A 57 5.409 -7.347 -3.009 1.00 0.00 C ATOM 837 C ALA A 57 5.645 -8.466 -2.004 1.00 0.00 C ATOM 838 O ALA A 57 6.787 -8.844 -1.731 1.00 0.00 O ATOM 839 CB ALA A 57 6.121 -7.648 -4.320 1.00 0.00 C ATOM 0 H ALA A 57 6.861 -5.997 -2.331 1.00 0.00 H new ATOM 0 HA ALA A 57 4.337 -7.285 -3.199 1.00 0.00 H new ATOM 0 HB1 ALA A 57 5.779 -8.608 -4.708 1.00 0.00 H new ATOM 0 HB2 ALA A 57 5.898 -6.864 -5.044 1.00 0.00 H new ATOM 0 HB3 ALA A 57 7.197 -7.688 -4.149 1.00 0.00 H new ATOM 845 N PHE A 58 4.563 -8.984 -1.442 1.00 0.00 N ATOM 846 CA PHE A 58 4.650 -10.089 -0.497 1.00 0.00 C ATOM 847 C PHE A 58 4.027 -11.342 -1.096 1.00 0.00 C ATOM 848 O PHE A 58 2.887 -11.314 -1.545 1.00 0.00 O ATOM 849 CB PHE A 58 3.926 -9.761 0.813 1.00 0.00 C ATOM 850 CG PHE A 58 4.320 -8.451 1.430 1.00 0.00 C ATOM 851 CD1 PHE A 58 5.468 -8.350 2.196 1.00 0.00 C ATOM 852 CD2 PHE A 58 3.536 -7.323 1.252 1.00 0.00 C ATOM 853 CE1 PHE A 58 5.830 -7.148 2.772 1.00 0.00 C ATOM 854 CE2 PHE A 58 3.893 -6.119 1.825 1.00 0.00 C ATOM 855 CZ PHE A 58 5.043 -6.031 2.585 1.00 0.00 C ATOM 0 H PHE A 58 3.614 -8.657 -1.624 1.00 0.00 H new ATOM 0 HA PHE A 58 5.706 -10.257 -0.287 1.00 0.00 H new ATOM 0 HB2 PHE A 58 2.852 -9.753 0.628 1.00 0.00 H new ATOM 0 HB3 PHE A 58 4.119 -10.559 1.530 1.00 0.00 H new ATOM 0 HD1 PHE A 58 6.088 -9.221 2.345 1.00 0.00 H new ATOM 0 HD2 PHE A 58 2.636 -7.386 0.659 1.00 0.00 H new ATOM 0 HE1 PHE A 58 6.728 -7.083 3.368 1.00 0.00 H new ATOM 0 HE2 PHE A 58 3.274 -5.246 1.679 1.00 0.00 H new ATOM 0 HZ PHE A 58 5.325 -5.089 3.032 1.00 0.00 H new ATOM 865 N PRO A 59 4.760 -12.458 -1.125 1.00 0.00 N ATOM 866 CA PRO A 59 4.208 -13.734 -1.574 1.00 0.00 C ATOM 867 C PRO A 59 3.348 -14.387 -0.492 1.00 0.00 C ATOM 868 O PRO A 59 2.567 -15.301 -0.764 1.00 0.00 O ATOM 869 CB PRO A 59 5.455 -14.572 -1.856 1.00 0.00 C ATOM 870 CG PRO A 59 6.497 -14.026 -0.942 1.00 0.00 C ATOM 871 CD PRO A 59 6.186 -12.562 -0.760 1.00 0.00 C ATOM 0 HA PRO A 59 3.552 -13.628 -2.438 1.00 0.00 H new ATOM 0 HB2 PRO A 59 5.273 -15.629 -1.662 1.00 0.00 H new ATOM 0 HB3 PRO A 59 5.760 -14.488 -2.899 1.00 0.00 H new ATOM 0 HG2 PRO A 59 6.484 -14.547 0.015 1.00 0.00 H new ATOM 0 HG3 PRO A 59 7.493 -14.161 -1.365 1.00 0.00 H new ATOM 0 HD2 PRO A 59 6.361 -12.240 0.267 1.00 0.00 H new ATOM 0 HD3 PRO A 59 6.810 -11.938 -1.400 1.00 0.00 H new ATOM 879 N SER A 60 3.472 -13.879 0.728 1.00 0.00 N ATOM 880 CA SER A 60 2.803 -14.464 1.875 1.00 0.00 C ATOM 881 C SER A 60 1.418 -13.849 2.067 1.00 0.00 C ATOM 882 O SER A 60 1.274 -12.625 2.158 1.00 0.00 O ATOM 883 CB SER A 60 3.657 -14.257 3.126 1.00 0.00 C ATOM 884 OG SER A 60 5.011 -14.602 2.881 1.00 0.00 O ATOM 0 H SER A 60 4.035 -13.057 0.946 1.00 0.00 H new ATOM 0 HA SER A 60 2.675 -15.532 1.701 1.00 0.00 H new ATOM 0 HB2 SER A 60 3.595 -13.216 3.445 1.00 0.00 H new ATOM 0 HB3 SER A 60 3.265 -14.864 3.942 1.00 0.00 H new ATOM 0 HG SER A 60 5.537 -14.460 3.695 1.00 0.00 H new ATOM 890 N LYS A 61 0.404 -14.705 2.109 1.00 0.00 N ATOM 891 CA LYS A 61 -0.975 -14.270 2.309 1.00 0.00 C ATOM 892 C LYS A 61 -1.130 -13.566 3.653 1.00 0.00 C ATOM 893 O LYS A 61 -1.658 -12.455 3.727 1.00 0.00 O ATOM 894 CB LYS A 61 -1.919 -15.474 2.212 1.00 0.00 C ATOM 895 CG LYS A 61 -3.380 -15.138 2.466 1.00 0.00 C ATOM 896 CD LYS A 61 -4.304 -16.283 2.072 1.00 0.00 C ATOM 897 CE LYS A 61 -4.051 -17.535 2.900 1.00 0.00 C ATOM 898 NZ LYS A 61 -4.529 -17.388 4.299 1.00 0.00 N ATOM 0 H LYS A 61 0.512 -15.714 2.006 1.00 0.00 H new ATOM 0 HA LYS A 61 -1.236 -13.556 1.527 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -1.826 -15.916 1.220 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -1.601 -16.230 2.929 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -3.521 -14.905 3.522 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -3.650 -14.244 1.904 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -5.341 -15.970 2.196 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -4.165 -16.513 1.016 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -4.551 -18.384 2.434 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -2.984 -17.757 2.904 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -3.713 -17.352 4.943 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -5.079 -16.510 4.388 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -5.130 -18.199 4.547 1.00 0.00 H new ATOM 912 N GLU A 62 -0.640 -14.221 4.701 1.00 0.00 N ATOM 913 CA GLU A 62 -0.728 -13.715 6.064 1.00 0.00 C ATOM 914 C GLU A 62 -0.122 -12.318 6.160 1.00 0.00 C ATOM 915 O GLU A 62 -0.735 -11.396 6.701 1.00 0.00 O ATOM 916 CB GLU A 62 0.013 -14.658 7.021 1.00 0.00 C ATOM 917 CG GLU A 62 -0.594 -16.054 7.154 1.00 0.00 C ATOM 918 CD GLU A 62 -0.643 -16.823 5.846 1.00 0.00 C ATOM 919 OE1 GLU A 62 0.356 -16.797 5.094 1.00 0.00 O ATOM 920 OE2 GLU A 62 -1.693 -17.430 5.554 1.00 0.00 O ATOM 0 H GLU A 62 -0.168 -15.122 4.627 1.00 0.00 H new ATOM 0 HA GLU A 62 -1.780 -13.663 6.343 1.00 0.00 H new ATOM 0 HB2 GLU A 62 1.044 -14.758 6.682 1.00 0.00 H new ATOM 0 HB3 GLU A 62 0.045 -14.197 8.008 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -0.015 -16.625 7.880 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -1.605 -15.965 7.552 1.00 0.00 H new ATOM 927 N GLU A 63 1.079 -12.180 5.613 1.00 0.00 N ATOM 928 CA GLU A 63 1.814 -10.925 5.664 1.00 0.00 C ATOM 929 C GLU A 63 1.045 -9.796 4.999 1.00 0.00 C ATOM 930 O GLU A 63 0.734 -8.795 5.634 1.00 0.00 O ATOM 931 CB GLU A 63 3.177 -11.091 4.990 1.00 0.00 C ATOM 932 CG GLU A 63 4.106 -12.029 5.736 1.00 0.00 C ATOM 933 CD GLU A 63 4.441 -11.523 7.119 1.00 0.00 C ATOM 934 OE1 GLU A 63 3.648 -11.761 8.052 1.00 0.00 O ATOM 935 OE2 GLU A 63 5.493 -10.870 7.279 1.00 0.00 O ATOM 0 H GLU A 63 1.568 -12.930 5.125 1.00 0.00 H new ATOM 0 HA GLU A 63 1.952 -10.663 6.713 1.00 0.00 H new ATOM 0 HB2 GLU A 63 3.030 -11.466 3.977 1.00 0.00 H new ATOM 0 HB3 GLU A 63 3.652 -10.114 4.902 1.00 0.00 H new ATOM 0 HG2 GLU A 63 3.641 -13.012 5.814 1.00 0.00 H new ATOM 0 HG3 GLU A 63 5.026 -12.156 5.165 1.00 0.00 H new ATOM 942 N ALA A 64 0.715 -9.973 3.729 1.00 0.00 N ATOM 943 CA ALA A 64 0.110 -8.909 2.942 1.00 0.00 C ATOM 944 C ALA A 64 -1.293 -8.553 3.425 1.00 0.00 C ATOM 945 O ALA A 64 -1.649 -7.377 3.488 1.00 0.00 O ATOM 946 CB ALA A 64 0.078 -9.302 1.482 1.00 0.00 C ATOM 0 H ALA A 64 0.856 -10.846 3.220 1.00 0.00 H new ATOM 0 HA ALA A 64 0.726 -8.019 3.069 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -0.376 -8.501 0.899 1.00 0.00 H new ATOM 0 HB2 ALA A 64 1.095 -9.476 1.130 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -0.508 -10.214 1.363 1.00 0.00 H new ATOM 952 N MET A 65 -2.087 -9.562 3.766 1.00 0.00 N ATOM 953 CA MET A 65 -3.455 -9.327 4.223 1.00 0.00 C ATOM 954 C MET A 65 -3.443 -8.519 5.520 1.00 0.00 C ATOM 955 O MET A 65 -4.242 -7.596 5.704 1.00 0.00 O ATOM 956 CB MET A 65 -4.190 -10.656 4.416 1.00 0.00 C ATOM 957 CG MET A 65 -5.632 -10.505 4.869 1.00 0.00 C ATOM 958 SD MET A 65 -6.555 -12.054 4.790 1.00 0.00 S ATOM 959 CE MET A 65 -5.540 -13.114 5.819 1.00 0.00 C ATOM 0 H MET A 65 -1.812 -10.544 3.736 1.00 0.00 H new ATOM 0 HA MET A 65 -3.987 -8.754 3.464 1.00 0.00 H new ATOM 0 HB2 MET A 65 -4.171 -11.209 3.477 1.00 0.00 H new ATOM 0 HB3 MET A 65 -3.650 -11.255 5.150 1.00 0.00 H new ATOM 0 HG2 MET A 65 -5.649 -10.129 5.892 1.00 0.00 H new ATOM 0 HG3 MET A 65 -6.128 -9.760 4.247 1.00 0.00 H new ATOM 0 HE1 MET A 65 -6.089 -14.025 6.056 1.00 0.00 H new ATOM 0 HE2 MET A 65 -4.625 -13.370 5.286 1.00 0.00 H new ATOM 0 HE3 MET A 65 -5.288 -12.592 6.742 1.00 0.00 H new ATOM 969 N ARG A 66 -2.511 -8.861 6.403 1.00 0.00 N ATOM 970 CA ARG A 66 -2.318 -8.125 7.643 1.00 0.00 C ATOM 971 C ARG A 66 -1.753 -6.735 7.355 1.00 0.00 C ATOM 972 O ARG A 66 -2.224 -5.738 7.898 1.00 0.00 O ATOM 973 CB ARG A 66 -1.377 -8.903 8.569 1.00 0.00 C ATOM 974 CG ARG A 66 -0.936 -8.128 9.797 1.00 0.00 C ATOM 975 CD ARG A 66 -0.139 -9.000 10.755 1.00 0.00 C ATOM 976 NE ARG A 66 1.060 -9.579 10.142 1.00 0.00 N ATOM 977 CZ ARG A 66 2.221 -9.727 10.785 1.00 0.00 C ATOM 978 NH1 ARG A 66 2.384 -9.219 11.998 1.00 0.00 N ATOM 979 NH2 ARG A 66 3.230 -10.353 10.203 1.00 0.00 N ATOM 0 H ARG A 66 -1.875 -9.649 6.280 1.00 0.00 H new ATOM 0 HA ARG A 66 -3.282 -8.007 8.138 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -1.875 -9.818 8.890 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -0.494 -9.201 8.004 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -0.330 -7.275 9.491 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -1.811 -7.730 10.310 1.00 0.00 H new ATOM 0 HD2 ARG A 66 0.153 -8.405 11.620 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -0.777 -9.804 11.122 1.00 0.00 H new ATOM 0 HE ARG A 66 1.004 -9.886 9.171 1.00 0.00 H new ATOM 0 HH11 ARG A 66 1.620 -8.712 12.445 1.00 0.00 H new ATOM 0 HH12 ARG A 66 3.273 -9.335 12.484 1.00 0.00 H new ATOM 0 HH21 ARG A 66 3.123 -10.725 9.259 1.00 0.00 H new ATOM 0 HH22 ARG A 66 4.115 -10.464 10.698 1.00 0.00 H new ATOM 993 N TRP A 67 -0.762 -6.697 6.470 1.00 0.00 N ATOM 994 CA TRP A 67 -0.070 -5.465 6.101 1.00 0.00 C ATOM 995 C TRP A 67 -1.062 -4.412 5.621 1.00 0.00 C ATOM 996 O TRP A 67 -1.021 -3.262 6.063 1.00 0.00 O ATOM 997 CB TRP A 67 0.942 -5.760 4.991 1.00 0.00 C ATOM 998 CG TRP A 67 2.173 -4.916 5.060 1.00 0.00 C ATOM 999 CD1 TRP A 67 3.339 -5.241 5.678 1.00 0.00 C ATOM 1000 CD2 TRP A 67 2.363 -3.614 4.497 1.00 0.00 C ATOM 1001 NE1 TRP A 67 4.249 -4.222 5.537 1.00 0.00 N ATOM 1002 CE2 TRP A 67 3.674 -3.211 4.813 1.00 0.00 C ATOM 1003 CE3 TRP A 67 1.555 -2.750 3.756 1.00 0.00 C ATOM 1004 CZ2 TRP A 67 4.191 -1.982 4.413 1.00 0.00 C ATOM 1005 CZ3 TRP A 67 2.070 -1.534 3.359 1.00 0.00 C ATOM 1006 CH2 TRP A 67 3.376 -1.162 3.687 1.00 0.00 C ATOM 0 H TRP A 67 -0.414 -7.524 5.985 1.00 0.00 H new ATOM 0 HA TRP A 67 0.447 -5.080 6.980 1.00 0.00 H new ATOM 0 HB2 TRP A 67 1.229 -6.810 5.043 1.00 0.00 H new ATOM 0 HB3 TRP A 67 0.462 -5.608 4.024 1.00 0.00 H new ATOM 0 HD1 TRP A 67 3.523 -6.166 6.204 1.00 0.00 H new ATOM 0 HE1 TRP A 67 5.198 -4.219 5.910 1.00 0.00 H new ATOM 0 HE3 TRP A 67 0.544 -3.029 3.498 1.00 0.00 H new ATOM 0 HZ2 TRP A 67 5.199 -1.688 4.667 1.00 0.00 H new ATOM 0 HZ3 TRP A 67 1.454 -0.858 2.785 1.00 0.00 H new ATOM 0 HH2 TRP A 67 3.750 -0.203 3.359 1.00 0.00 H new ATOM 1017 N GLU A 68 -1.953 -4.820 4.721 1.00 0.00 N ATOM 1018 CA GLU A 68 -2.978 -3.927 4.198 1.00 0.00 C ATOM 1019 C GLU A 68 -3.835 -3.393 5.325 1.00 0.00 C ATOM 1020 O GLU A 68 -4.017 -2.187 5.465 1.00 0.00 O ATOM 1021 CB GLU A 68 -3.883 -4.660 3.211 1.00 0.00 C ATOM 1022 CG GLU A 68 -4.879 -3.732 2.535 1.00 0.00 C ATOM 1023 CD GLU A 68 -6.071 -4.456 1.945 1.00 0.00 C ATOM 1024 OE1 GLU A 68 -6.399 -5.564 2.412 1.00 0.00 O ATOM 1025 OE2 GLU A 68 -6.716 -3.887 1.039 1.00 0.00 O ATOM 0 H GLU A 68 -1.984 -5.765 4.339 1.00 0.00 H new ATOM 0 HA GLU A 68 -2.473 -3.105 3.690 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -3.270 -5.145 2.451 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -4.424 -5.448 3.735 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -5.231 -2.999 3.260 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -4.371 -3.180 1.744 1.00 0.00 H new ATOM 1032 N TYR A 69 -4.358 -4.316 6.119 1.00 0.00 N ATOM 1033 CA TYR A 69 -5.282 -3.981 7.200 1.00 0.00 C ATOM 1034 C TYR A 69 -4.665 -2.976 8.179 1.00 0.00 C ATOM 1035 O TYR A 69 -5.374 -2.154 8.765 1.00 0.00 O ATOM 1036 CB TYR A 69 -5.710 -5.255 7.935 1.00 0.00 C ATOM 1037 CG TYR A 69 -6.885 -5.058 8.868 1.00 0.00 C ATOM 1038 CD1 TYR A 69 -8.051 -4.437 8.433 1.00 0.00 C ATOM 1039 CD2 TYR A 69 -6.830 -5.497 10.185 1.00 0.00 C ATOM 1040 CE1 TYR A 69 -9.128 -4.264 9.284 1.00 0.00 C ATOM 1041 CE2 TYR A 69 -7.901 -5.329 11.040 1.00 0.00 C ATOM 1042 CZ TYR A 69 -9.046 -4.710 10.585 1.00 0.00 C ATOM 1043 OH TYR A 69 -10.114 -4.536 11.436 1.00 0.00 O ATOM 0 H TYR A 69 -4.157 -5.313 6.036 1.00 0.00 H new ATOM 0 HA TYR A 69 -6.161 -3.510 6.760 1.00 0.00 H new ATOM 0 HB2 TYR A 69 -5.966 -6.018 7.200 1.00 0.00 H new ATOM 0 HB3 TYR A 69 -4.864 -5.635 8.507 1.00 0.00 H new ATOM 0 HD1 TYR A 69 -8.117 -4.084 7.414 1.00 0.00 H new ATOM 0 HD2 TYR A 69 -5.933 -5.978 10.546 1.00 0.00 H new ATOM 0 HE1 TYR A 69 -10.028 -3.782 8.931 1.00 0.00 H new ATOM 0 HE2 TYR A 69 -7.842 -5.680 12.060 1.00 0.00 H new ATOM 0 HH TYR A 69 -10.257 -3.579 11.589 1.00 0.00 H new ATOM 1053 N GLU A 70 -3.344 -3.033 8.347 1.00 0.00 N ATOM 1054 CA GLU A 70 -2.651 -2.092 9.218 1.00 0.00 C ATOM 1055 C GLU A 70 -2.670 -0.691 8.611 1.00 0.00 C ATOM 1056 O GLU A 70 -3.231 0.230 9.199 1.00 0.00 O ATOM 1057 CB GLU A 70 -1.210 -2.543 9.481 1.00 0.00 C ATOM 1058 CG GLU A 70 -1.125 -3.909 10.135 1.00 0.00 C ATOM 1059 CD GLU A 70 0.283 -4.293 10.538 1.00 0.00 C ATOM 1060 OE1 GLU A 70 1.246 -3.693 10.016 1.00 0.00 O ATOM 1061 OE2 GLU A 70 0.429 -5.206 11.379 1.00 0.00 O ATOM 0 H GLU A 70 -2.738 -3.717 7.894 1.00 0.00 H new ATOM 0 HA GLU A 70 -3.176 -2.066 10.173 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -0.664 -2.564 8.538 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -0.717 -1.810 10.119 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -1.765 -3.922 11.018 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -1.516 -4.659 9.447 1.00 0.00 H new ATOM 1068 N VAL A 71 -2.078 -0.538 7.425 1.00 0.00 N ATOM 1069 CA VAL A 71 -2.056 0.749 6.730 1.00 0.00 C ATOM 1070 C VAL A 71 -3.475 1.247 6.438 1.00 0.00 C ATOM 1071 O VAL A 71 -3.708 2.452 6.280 1.00 0.00 O ATOM 1072 CB VAL A 71 -1.249 0.655 5.415 1.00 0.00 C ATOM 1073 CG1 VAL A 71 -1.117 2.018 4.746 1.00 0.00 C ATOM 1074 CG2 VAL A 71 0.124 0.061 5.683 1.00 0.00 C ATOM 0 H VAL A 71 -1.606 -1.292 6.925 1.00 0.00 H new ATOM 0 HA VAL A 71 -1.568 1.466 7.390 1.00 0.00 H new ATOM 0 HB VAL A 71 -1.792 0.001 4.733 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -0.544 1.917 3.824 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -2.109 2.408 4.516 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -0.604 2.705 5.419 1.00 0.00 H new ATOM 0 HG21 VAL A 71 0.683 -0.000 4.749 1.00 0.00 H new ATOM 0 HG22 VAL A 71 0.663 0.694 6.388 1.00 0.00 H new ATOM 0 HG23 VAL A 71 0.012 -0.938 6.105 1.00 0.00 H new ATOM 1084 N LYS A 72 -4.413 0.308 6.368 1.00 0.00 N ATOM 1085 CA LYS A 72 -5.822 0.626 6.183 1.00 0.00 C ATOM 1086 C LYS A 72 -6.348 1.421 7.376 1.00 0.00 C ATOM 1087 O LYS A 72 -7.029 2.428 7.210 1.00 0.00 O ATOM 1088 CB LYS A 72 -6.635 -0.662 6.036 1.00 0.00 C ATOM 1089 CG LYS A 72 -8.051 -0.455 5.519 1.00 0.00 C ATOM 1090 CD LYS A 72 -8.082 -0.336 4.001 1.00 0.00 C ATOM 1091 CE LYS A 72 -7.630 -1.628 3.332 1.00 0.00 C ATOM 1092 NZ LYS A 72 -7.747 -1.571 1.849 1.00 0.00 N ATOM 0 H LYS A 72 -4.218 -0.691 6.438 1.00 0.00 H new ATOM 0 HA LYS A 72 -5.924 1.226 5.279 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -6.108 -1.334 5.359 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -6.684 -1.159 7.005 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -8.679 -1.289 5.832 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -8.473 0.446 5.964 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -9.092 -0.090 3.675 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -7.437 0.484 3.686 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -6.594 -1.832 3.604 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -8.228 -2.458 3.709 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -7.625 -2.525 1.454 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -8.685 -1.205 1.589 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -7.012 -0.942 1.467 1.00 0.00 H new ATOM 1106 N HIS A 73 -6.015 0.959 8.578 1.00 0.00 N ATOM 1107 CA HIS A 73 -6.479 1.603 9.801 1.00 0.00 C ATOM 1108 C HIS A 73 -5.502 2.656 10.295 1.00 0.00 C ATOM 1109 O HIS A 73 -5.704 3.249 11.357 1.00 0.00 O ATOM 1110 CB HIS A 73 -6.720 0.574 10.902 1.00 0.00 C ATOM 1111 CG HIS A 73 -8.135 0.102 10.963 1.00 0.00 C ATOM 1112 ND1 HIS A 73 -9.294 0.753 10.711 1.00 0.00 N flip ATOM 1113 CD2 HIS A 73 -8.488 -1.172 11.344 1.00 0.00 C flip ATOM 1114 CE1 HIS A 73 -10.316 -0.131 10.941 1.00 0.00 C flip ATOM 1115 NE2 HIS A 73 -9.801 -1.285 11.321 1.00 0.00 N flip ATOM 0 H HIS A 73 -5.425 0.141 8.730 1.00 0.00 H new ATOM 0 HA HIS A 73 -7.419 2.098 9.558 1.00 0.00 H new ATOM 0 HB2 HIS A 73 -6.064 -0.282 10.741 1.00 0.00 H new ATOM 0 HB3 HIS A 73 -6.446 1.009 11.863 1.00 0.00 H new ATOM 0 HD1 HIS A 73 -9.390 1.722 10.406 1.00 0.00 H new ATOM 0 HD2 HIS A 73 -7.798 -1.956 11.619 1.00 0.00 H new ATOM 0 HE1 HIS A 73 -11.369 0.082 10.830 1.00 0.00 H new ATOM 1124 N LEU A 74 -4.444 2.889 9.539 1.00 0.00 N ATOM 1125 CA LEU A 74 -3.523 3.959 9.864 1.00 0.00 C ATOM 1126 C LEU A 74 -4.154 5.295 9.502 1.00 0.00 C ATOM 1127 O LEU A 74 -5.280 5.348 9.017 1.00 0.00 O ATOM 1128 CB LEU A 74 -2.187 3.781 9.139 1.00 0.00 C ATOM 1129 CG LEU A 74 -1.365 2.568 9.583 1.00 0.00 C ATOM 1130 CD1 LEU A 74 0.001 2.572 8.917 1.00 0.00 C ATOM 1131 CD2 LEU A 74 -1.225 2.546 11.095 1.00 0.00 C ATOM 0 H LEU A 74 -4.204 2.356 8.703 1.00 0.00 H new ATOM 0 HA LEU A 74 -3.320 3.932 10.935 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -2.380 3.698 8.069 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -1.588 4.680 9.286 1.00 0.00 H new ATOM 0 HG LEU A 74 -1.891 1.665 9.273 1.00 0.00 H new ATOM 0 HD11 LEU A 74 0.569 1.702 9.246 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -0.122 2.537 7.835 1.00 0.00 H new ATOM 0 HD13 LEU A 74 0.537 3.480 9.192 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -0.638 1.677 11.393 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -0.723 3.455 11.427 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -2.213 2.490 11.551 1.00 0.00 H new ATOM 1143 N SER A 75 -3.426 6.373 9.696 1.00 0.00 N ATOM 1144 CA SER A 75 -3.983 7.687 9.465 1.00 0.00 C ATOM 1145 C SER A 75 -2.891 8.624 8.980 1.00 0.00 C ATOM 1146 O SER A 75 -1.742 8.213 8.882 1.00 0.00 O ATOM 1147 CB SER A 75 -4.629 8.215 10.749 1.00 0.00 C ATOM 1148 OG SER A 75 -5.418 9.365 10.495 1.00 0.00 O ATOM 0 H SER A 75 -2.456 6.366 10.010 1.00 0.00 H new ATOM 0 HA SER A 75 -4.755 7.627 8.697 1.00 0.00 H new ATOM 0 HB2 SER A 75 -5.250 7.437 11.193 1.00 0.00 H new ATOM 0 HB3 SER A 75 -3.853 8.457 11.476 1.00 0.00 H new ATOM 0 HG SER A 75 -5.819 9.678 11.333 1.00 0.00 H new ATOM 1154 N ARG A 76 -3.264 9.868 8.704 1.00 0.00 N ATOM 1155 CA ARG A 76 -2.401 10.834 8.020 1.00 0.00 C ATOM 1156 C ARG A 76 -0.966 10.827 8.566 1.00 0.00 C ATOM 1157 O ARG A 76 -0.013 10.664 7.807 1.00 0.00 O ATOM 1158 CB ARG A 76 -3.023 12.230 8.155 1.00 0.00 C ATOM 1159 CG ARG A 76 -2.474 13.273 7.192 1.00 0.00 C ATOM 1160 CD ARG A 76 -1.151 13.853 7.659 1.00 0.00 C ATOM 1161 NE ARG A 76 -0.639 14.854 6.730 1.00 0.00 N ATOM 1162 CZ ARG A 76 0.637 15.224 6.675 1.00 0.00 C ATOM 1163 NH1 ARG A 76 1.515 14.698 7.517 1.00 0.00 N ATOM 1164 NH2 ARG A 76 1.032 16.131 5.793 1.00 0.00 N ATOM 0 H ARG A 76 -4.181 10.242 8.949 1.00 0.00 H new ATOM 0 HA ARG A 76 -2.332 10.550 6.970 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -4.099 12.148 8.004 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -2.870 12.583 9.175 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -2.343 12.822 6.208 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -3.201 14.078 7.079 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -1.279 14.303 8.644 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -0.421 13.051 7.768 1.00 0.00 H new ATOM 0 HE ARG A 76 -1.296 15.295 6.087 1.00 0.00 H new ATOM 0 HH11 ARG A 76 1.212 14.010 8.206 1.00 0.00 H new ATOM 0 HH12 ARG A 76 2.494 14.981 7.476 1.00 0.00 H new ATOM 0 HH21 ARG A 76 0.356 16.548 5.153 1.00 0.00 H new ATOM 0 HH22 ARG A 76 2.012 16.412 5.754 1.00 0.00 H new ATOM 1178 N ARG A 77 -0.823 10.992 9.877 1.00 0.00 N ATOM 1179 CA ARG A 77 0.496 11.074 10.504 1.00 0.00 C ATOM 1180 C ARG A 77 1.302 9.792 10.301 1.00 0.00 C ATOM 1181 O ARG A 77 2.476 9.836 9.927 1.00 0.00 O ATOM 1182 CB ARG A 77 0.346 11.369 11.999 1.00 0.00 C ATOM 1183 CG ARG A 77 1.659 11.652 12.703 1.00 0.00 C ATOM 1184 CD ARG A 77 1.430 12.195 14.101 1.00 0.00 C ATOM 1185 NE ARG A 77 0.574 13.382 14.085 1.00 0.00 N ATOM 1186 CZ ARG A 77 0.716 14.414 14.913 1.00 0.00 C ATOM 1187 NH1 ARG A 77 1.744 14.469 15.749 1.00 0.00 N ATOM 1188 NH2 ARG A 77 -0.150 15.417 14.873 1.00 0.00 N ATOM 0 H ARG A 77 -1.604 11.072 10.528 1.00 0.00 H new ATOM 0 HA ARG A 77 1.042 11.886 10.024 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -0.315 12.226 12.126 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -0.138 10.519 12.481 1.00 0.00 H new ATOM 0 HG2 ARG A 77 2.249 10.737 12.758 1.00 0.00 H new ATOM 0 HG3 ARG A 77 2.238 12.370 12.122 1.00 0.00 H new ATOM 0 HD2 ARG A 77 0.972 11.424 14.721 1.00 0.00 H new ATOM 0 HD3 ARG A 77 2.388 12.443 14.557 1.00 0.00 H new ATOM 0 HE ARG A 77 -0.178 13.421 13.397 1.00 0.00 H new ATOM 0 HH11 ARG A 77 2.433 13.717 15.760 1.00 0.00 H new ATOM 0 HH12 ARG A 77 1.846 15.263 16.381 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -0.923 15.397 14.208 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -0.043 16.209 15.507 1.00 0.00 H new ATOM 1202 N LYS A 78 0.662 8.653 10.525 1.00 0.00 N ATOM 1203 CA LYS A 78 1.337 7.365 10.415 1.00 0.00 C ATOM 1204 C LYS A 78 1.562 7.014 8.950 1.00 0.00 C ATOM 1205 O LYS A 78 2.534 6.354 8.588 1.00 0.00 O ATOM 1206 CB LYS A 78 0.499 6.276 11.081 1.00 0.00 C ATOM 1207 CG LYS A 78 1.308 5.078 11.539 1.00 0.00 C ATOM 1208 CD LYS A 78 2.292 5.469 12.625 1.00 0.00 C ATOM 1209 CE LYS A 78 3.061 4.269 13.139 1.00 0.00 C ATOM 1210 NZ LYS A 78 4.034 4.641 14.201 1.00 0.00 N ATOM 0 H LYS A 78 -0.323 8.593 10.784 1.00 0.00 H new ATOM 0 HA LYS A 78 2.302 7.432 10.918 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -0.019 6.703 11.940 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -0.266 5.940 10.381 1.00 0.00 H new ATOM 0 HG2 LYS A 78 0.638 4.304 11.912 1.00 0.00 H new ATOM 0 HG3 LYS A 78 1.846 4.653 10.692 1.00 0.00 H new ATOM 0 HD2 LYS A 78 2.990 6.209 12.235 1.00 0.00 H new ATOM 0 HD3 LYS A 78 1.757 5.939 13.450 1.00 0.00 H new ATOM 0 HE2 LYS A 78 2.361 3.531 13.531 1.00 0.00 H new ATOM 0 HE3 LYS A 78 3.591 3.797 12.312 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 4.414 3.779 14.641 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 4.813 5.188 13.782 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 3.556 5.217 14.923 1.00 0.00 H new ATOM 1224 N LYS A 79 0.644 7.466 8.120 1.00 0.00 N ATOM 1225 CA LYS A 79 0.701 7.232 6.690 1.00 0.00 C ATOM 1226 C LYS A 79 1.840 8.041 6.073 1.00 0.00 C ATOM 1227 O LYS A 79 2.455 7.619 5.096 1.00 0.00 O ATOM 1228 CB LYS A 79 -0.647 7.608 6.075 1.00 0.00 C ATOM 1229 CG LYS A 79 -0.873 7.093 4.665 1.00 0.00 C ATOM 1230 CD LYS A 79 -2.314 7.330 4.228 1.00 0.00 C ATOM 1231 CE LYS A 79 -3.295 6.436 4.981 1.00 0.00 C ATOM 1232 NZ LYS A 79 -3.078 4.986 4.697 1.00 0.00 N ATOM 0 H LYS A 79 -0.166 8.008 8.419 1.00 0.00 H new ATOM 0 HA LYS A 79 0.898 6.179 6.488 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -1.441 7.227 6.717 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -0.736 8.694 6.068 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -0.192 7.594 3.976 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -0.645 6.028 4.621 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -2.576 8.375 4.394 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -2.403 7.145 3.158 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -3.195 6.613 6.052 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -4.314 6.708 4.707 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -3.898 4.440 5.031 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -2.963 4.846 3.673 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -2.221 4.660 5.189 1.00 0.00 H new ATOM 1246 N GLU A 80 2.119 9.200 6.659 1.00 0.00 N ATOM 1247 CA GLU A 80 3.272 9.993 6.261 1.00 0.00 C ATOM 1248 C GLU A 80 4.552 9.277 6.678 1.00 0.00 C ATOM 1249 O GLU A 80 5.516 9.214 5.917 1.00 0.00 O ATOM 1250 CB GLU A 80 3.225 11.386 6.896 1.00 0.00 C ATOM 1251 CG GLU A 80 4.372 12.282 6.460 1.00 0.00 C ATOM 1252 CD GLU A 80 4.487 13.534 7.297 1.00 0.00 C ATOM 1253 OE1 GLU A 80 5.019 13.451 8.423 1.00 0.00 O ATOM 1254 OE2 GLU A 80 4.056 14.609 6.842 1.00 0.00 O ATOM 0 H GLU A 80 1.563 9.609 7.410 1.00 0.00 H new ATOM 0 HA GLU A 80 3.254 10.111 5.178 1.00 0.00 H new ATOM 0 HB2 GLU A 80 2.280 11.864 6.637 1.00 0.00 H new ATOM 0 HB3 GLU A 80 3.244 11.284 7.981 1.00 0.00 H new ATOM 0 HG2 GLU A 80 5.306 11.724 6.519 1.00 0.00 H new ATOM 0 HG3 GLU A 80 4.233 12.560 5.415 1.00 0.00 H new ATOM 1261 N GLN A 81 4.537 8.719 7.888 1.00 0.00 N ATOM 1262 CA GLN A 81 5.673 7.955 8.404 1.00 0.00 C ATOM 1263 C GLN A 81 6.028 6.826 7.446 1.00 0.00 C ATOM 1264 O GLN A 81 7.202 6.518 7.235 1.00 0.00 O ATOM 1265 CB GLN A 81 5.348 7.367 9.779 1.00 0.00 C ATOM 1266 CG GLN A 81 6.526 6.651 10.421 1.00 0.00 C ATOM 1267 CD GLN A 81 6.106 5.699 11.519 1.00 0.00 C ATOM 1268 OE1 GLN A 81 5.983 6.081 12.682 1.00 0.00 O ATOM 1269 NE2 GLN A 81 5.897 4.443 11.159 1.00 0.00 N ATOM 0 H GLN A 81 3.748 8.782 8.531 1.00 0.00 H new ATOM 0 HA GLN A 81 6.522 8.633 8.498 1.00 0.00 H new ATOM 0 HB2 GLN A 81 5.015 8.168 10.439 1.00 0.00 H new ATOM 0 HB3 GLN A 81 4.517 6.668 9.681 1.00 0.00 H new ATOM 0 HG2 GLN A 81 7.070 6.098 9.655 1.00 0.00 H new ATOM 0 HG3 GLN A 81 7.215 7.390 10.831 1.00 0.00 H new ATOM 0 HE21 GLN A 81 6.010 4.167 10.184 1.00 0.00 H new ATOM 0 HE22 GLN A 81 5.623 3.751 11.857 1.00 0.00 H new ATOM 1278 N LEU A 82 4.994 6.230 6.858 1.00 0.00 N ATOM 1279 CA LEU A 82 5.150 5.147 5.892 1.00 0.00 C ATOM 1280 C LEU A 82 6.066 5.588 4.744 1.00 0.00 C ATOM 1281 O LEU A 82 6.887 4.816 4.251 1.00 0.00 O ATOM 1282 CB LEU A 82 3.768 4.749 5.351 1.00 0.00 C ATOM 1283 CG LEU A 82 3.703 3.422 4.590 1.00 0.00 C ATOM 1284 CD1 LEU A 82 3.625 2.249 5.560 1.00 0.00 C ATOM 1285 CD2 LEU A 82 2.512 3.412 3.643 1.00 0.00 C ATOM 0 H LEU A 82 4.023 6.485 7.038 1.00 0.00 H new ATOM 0 HA LEU A 82 5.606 4.287 6.382 1.00 0.00 H new ATOM 0 HB2 LEU A 82 3.072 4.699 6.189 1.00 0.00 H new ATOM 0 HB3 LEU A 82 3.416 5.542 4.691 1.00 0.00 H new ATOM 0 HG LEU A 82 4.614 3.318 4.001 1.00 0.00 H new ATOM 0 HD11 LEU A 82 3.580 1.315 4.999 1.00 0.00 H new ATOM 0 HD12 LEU A 82 4.508 2.246 6.199 1.00 0.00 H new ATOM 0 HD13 LEU A 82 2.731 2.346 6.177 1.00 0.00 H new ATOM 0 HD21 LEU A 82 2.479 2.462 3.109 1.00 0.00 H new ATOM 0 HD22 LEU A 82 1.592 3.539 4.214 1.00 0.00 H new ATOM 0 HD23 LEU A 82 2.610 4.228 2.926 1.00 0.00 H new ATOM 1297 N VAL A 83 5.927 6.848 4.347 1.00 0.00 N ATOM 1298 CA VAL A 83 6.728 7.413 3.268 1.00 0.00 C ATOM 1299 C VAL A 83 8.065 7.933 3.791 1.00 0.00 C ATOM 1300 O VAL A 83 9.096 7.804 3.126 1.00 0.00 O ATOM 1301 CB VAL A 83 5.972 8.556 2.566 1.00 0.00 C ATOM 1302 CG1 VAL A 83 6.785 9.130 1.414 1.00 0.00 C ATOM 1303 CG2 VAL A 83 4.625 8.060 2.078 1.00 0.00 C ATOM 0 H VAL A 83 5.262 7.502 4.760 1.00 0.00 H new ATOM 0 HA VAL A 83 6.917 6.616 2.549 1.00 0.00 H new ATOM 0 HB VAL A 83 5.814 9.358 3.287 1.00 0.00 H new ATOM 0 HG11 VAL A 83 6.224 9.935 0.939 1.00 0.00 H new ATOM 0 HG12 VAL A 83 7.729 9.521 1.794 1.00 0.00 H new ATOM 0 HG13 VAL A 83 6.985 8.346 0.683 1.00 0.00 H new ATOM 0 HG21 VAL A 83 4.095 8.874 1.582 1.00 0.00 H new ATOM 0 HG22 VAL A 83 4.772 7.241 1.374 1.00 0.00 H new ATOM 0 HG23 VAL A 83 4.038 7.708 2.926 1.00 0.00 H new ATOM 1313 N SER A 84 8.041 8.522 4.980 1.00 0.00 N ATOM 1314 CA SER A 84 9.247 9.050 5.603 1.00 0.00 C ATOM 1315 C SER A 84 10.310 7.966 5.755 1.00 0.00 C ATOM 1316 O SER A 84 11.500 8.223 5.571 1.00 0.00 O ATOM 1317 CB SER A 84 8.911 9.660 6.965 1.00 0.00 C ATOM 1318 OG SER A 84 7.951 10.694 6.834 1.00 0.00 O ATOM 0 H SER A 84 7.194 8.646 5.535 1.00 0.00 H new ATOM 0 HA SER A 84 9.652 9.827 4.955 1.00 0.00 H new ATOM 0 HB2 SER A 84 8.529 8.886 7.630 1.00 0.00 H new ATOM 0 HB3 SER A 84 9.817 10.056 7.424 1.00 0.00 H new ATOM 0 HG SER A 84 7.096 10.312 6.547 1.00 0.00 H new