USER MOD reduce.3.24.130724 H: found=0, std=0, add=860, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 857 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 70 GLN : amide:sc= 0.671 K(o=2.2,f=0.86) USER MOD Set 1.2: A 74 ASN : amide:sc= 1.57 K(o=2.2,f=-0.54) USER MOD Set 2.1: A 54 HIS : no HD1:sc= 0 X(o=-0.45,f=-0.37) USER MOD Set 2.2: A 58 CYS SG : rot 150:sc= -0.451 USER MOD Set 3.1: A 56 THR OG1 : rot 85:sc= 1.29 USER MOD Set 3.2: A 94 TYR OH : rot 180:sc= 0 USER MOD Set 4.1: A 27 GLN : amide:sc= -0.0915 X(o=-0.44,f=-0.46) USER MOD Set 4.2: A 43 HIS : no HE2:sc= -0.353 K(o=-0.44,f=-1.5) USER MOD Set 4.3: A 47 CYS SG : rot 180:sc= 0 USER MOD Single : A 8 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 THR OG1 : rot 148:sc= 1.25 USER MOD Single : A 12 SER OG : rot 74:sc= 0.175 USER MOD Single : A 14 CYS SG : rot 131:sc= 0.884 USER MOD Single : A 15 LYS NZ :NH3+ -124:sc= 1.5 (180deg=0.309) USER MOD Single : A 18 MET CE :methyl 156:sc= -0.479 (180deg=-1.02) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ -170:sc= -0.0179 (180deg=-0.149) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 40 GLN : amide:sc= -0.0482 X(o=-0.048,f=-0.053) USER MOD Single : A 44 THR OG1 : rot 79:sc= 0.384 USER MOD Single : A 46 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 ASN : amide:sc=-0.00213 X(o=-0.0021,f=0) USER MOD Single : A 67 GLN : amide:sc= 0.0202 K(o=0.02,f=-0.9) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 SER OG : rot 55:sc= 0.55 USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 THR OG1 : rot 73:sc= 0.726 USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 HIS : no HD1:sc= -0.0933 X(o=-0.093,f=-0.07) USER MOD Single : A 92 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.00652) USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 HIS : no HE2:sc= 0.3 K(o=0.3,f=-1.9!) USER MOD Single : A 99 LYS NZ :NH3+ -150:sc= 0 (180deg=-0.00661) USER MOD Single : A 100 LYS NZ :NH3+ 147:sc= -0.057 (180deg=-0.499) USER MOD ----------------------------------------------------------------- ATOM 59 N LEU A 6 -14.817 -6.659 -2.877 1.00 13.12 N ATOM 60 CA LEU A 6 -14.032 -7.645 -2.142 1.00 4.11 C ATOM 61 C LEU A 6 -15.005 -8.581 -1.429 1.00 45.43 C ATOM 62 O LEU A 6 -16.092 -8.136 -1.055 1.00 60.30 O ATOM 63 CB LEU A 6 -13.115 -6.903 -1.141 1.00 72.24 C ATOM 64 CG LEU A 6 -11.632 -7.315 -1.186 1.00 35.44 C ATOM 65 CD1 LEU A 6 -10.985 -7.203 -2.573 1.00 4.41 C ATOM 66 CD2 LEU A 6 -10.823 -6.425 -0.233 1.00 61.12 C ATOM 0 HA LEU A 6 -13.399 -8.234 -2.805 1.00 4.11 H new ATOM 0 HB2 LEU A 6 -13.185 -5.832 -1.333 1.00 72.24 H new ATOM 0 HB3 LEU A 6 -13.493 -7.071 -0.132 1.00 72.24 H new ATOM 0 HG LEU A 6 -11.616 -8.366 -0.897 1.00 35.44 H new ATOM 0 HD11 LEU A 6 -9.941 -7.512 -2.514 1.00 4.41 H new ATOM 0 HD12 LEU A 6 -11.515 -7.847 -3.275 1.00 4.41 H new ATOM 0 HD13 LEU A 6 -11.038 -6.170 -2.917 1.00 4.41 H new ATOM 0 HD21 LEU A 6 -9.773 -6.717 -0.265 1.00 61.12 H new ATOM 0 HD22 LEU A 6 -10.919 -5.383 -0.538 1.00 61.12 H new ATOM 0 HD23 LEU A 6 -11.201 -6.542 0.783 1.00 61.12 H new ATOM 78 N ASP A 7 -14.637 -9.848 -1.214 1.00 75.13 N ATOM 79 CA ASP A 7 -15.461 -10.799 -0.480 1.00 1.34 C ATOM 80 C ASP A 7 -15.623 -10.324 0.956 1.00 50.11 C ATOM 81 O ASP A 7 -14.748 -9.618 1.459 1.00 25.20 O ATOM 82 CB ASP A 7 -14.816 -12.184 -0.391 1.00 22.15 C ATOM 83 CG ASP A 7 -14.097 -12.708 -1.622 1.00 51.25 C ATOM 84 OD1 ASP A 7 -14.561 -12.496 -2.755 1.00 3.35 O1- ATOM 85 OD2 ASP A 7 -13.008 -13.301 -1.448 1.00 12.54 O ATOM 0 H ASP A 7 -13.756 -10.239 -1.547 1.00 75.13 H new ATOM 0 HA ASP A 7 -16.408 -10.864 -1.016 1.00 1.34 H new ATOM 0 HB2 ASP A 7 -14.103 -12.170 0.433 1.00 22.15 H new ATOM 0 HB3 ASP A 7 -15.594 -12.900 -0.127 1.00 22.15 H new ATOM 90 N GLN A 8 -16.672 -10.766 1.652 1.00 35.03 N ATOM 91 CA GLN A 8 -16.859 -10.434 3.063 1.00 31.00 C ATOM 92 C GLN A 8 -15.662 -10.900 3.901 1.00 15.44 C ATOM 93 O GLN A 8 -15.139 -10.127 4.700 1.00 42.40 O ATOM 94 CB GLN A 8 -18.187 -11.013 3.569 1.00 11.40 C ATOM 95 CG GLN A 8 -18.533 -10.486 4.969 1.00 73.15 C ATOM 96 CD GLN A 8 -19.902 -10.948 5.469 1.00 5.35 C ATOM 97 OE1 GLN A 8 -20.197 -12.141 5.550 1.00 73.41 O ATOM 98 NE2 GLN A 8 -20.776 -10.025 5.836 1.00 23.44 N ATOM 0 H GLN A 8 -17.406 -11.356 1.259 1.00 35.03 H new ATOM 0 HA GLN A 8 -16.910 -9.350 3.170 1.00 31.00 H new ATOM 0 HB2 GLN A 8 -18.986 -10.755 2.874 1.00 11.40 H new ATOM 0 HB3 GLN A 8 -18.125 -12.101 3.594 1.00 11.40 H new ATOM 0 HG2 GLN A 8 -17.768 -10.814 5.672 1.00 73.15 H new ATOM 0 HG3 GLN A 8 -18.508 -9.396 4.956 1.00 73.15 H new ATOM 0 HE21 GLN A 8 -20.532 -9.037 5.769 1.00 23.44 H new ATOM 0 HE22 GLN A 8 -21.693 -10.302 6.186 1.00 23.44 H new ATOM 107 N LYS A 9 -15.179 -12.130 3.686 1.00 54.03 N ATOM 108 CA LYS A 9 -13.988 -12.611 4.389 1.00 31.31 C ATOM 109 C LYS A 9 -12.795 -11.731 4.039 1.00 71.23 C ATOM 110 O LYS A 9 -12.157 -11.183 4.934 1.00 2.24 O ATOM 111 CB LYS A 9 -13.694 -14.086 4.073 1.00 54.31 C ATOM 112 CG LYS A 9 -14.832 -15.042 4.451 1.00 72.00 C ATOM 113 CD LYS A 9 -15.104 -15.150 5.957 1.00 23.34 C ATOM 114 CE LYS A 9 -16.341 -16.035 6.158 1.00 1.24 C ATOM 115 NZ LYS A 9 -16.966 -15.883 7.488 1.00 21.22 N1+ ATOM 0 H LYS A 9 -15.590 -12.802 3.038 1.00 54.03 H new ATOM 0 HA LYS A 9 -14.177 -12.548 5.461 1.00 31.31 H new ATOM 0 HB2 LYS A 9 -13.489 -14.185 3.007 1.00 54.31 H new ATOM 0 HB3 LYS A 9 -12.789 -14.387 4.601 1.00 54.31 H new ATOM 0 HG2 LYS A 9 -15.745 -14.714 3.953 1.00 72.00 H new ATOM 0 HG3 LYS A 9 -14.598 -16.034 4.066 1.00 72.00 H new ATOM 0 HD2 LYS A 9 -14.243 -15.579 6.469 1.00 23.34 H new ATOM 0 HD3 LYS A 9 -15.270 -14.161 6.385 1.00 23.34 H new ATOM 0 HE2 LYS A 9 -17.077 -15.796 5.390 1.00 1.24 H new ATOM 0 HE3 LYS A 9 -16.058 -17.078 6.015 1.00 1.24 H new ATOM 0 HZ1 LYS A 9 -17.794 -16.508 7.556 1.00 21.22 H new ATOM 0 HZ2 LYS A 9 -16.279 -16.138 8.226 1.00 21.22 H new ATOM 0 HZ3 LYS A 9 -17.266 -14.896 7.620 1.00 21.22 H new ATOM 129 N THR A 10 -12.485 -11.611 2.751 1.00 74.25 N ATOM 130 CA THR A 10 -11.335 -10.879 2.228 1.00 13.54 C ATOM 131 C THR A 10 -11.290 -9.424 2.744 1.00 52.52 C ATOM 132 O THR A 10 -10.215 -8.930 3.094 1.00 61.23 O ATOM 133 CB THR A 10 -11.348 -11.035 0.694 1.00 0.01 C ATOM 134 OG1 THR A 10 -11.358 -12.426 0.405 1.00 34.44 O ATOM 135 CG2 THR A 10 -10.116 -10.456 -0.004 1.00 21.15 C ATOM 0 H THR A 10 -13.049 -12.037 2.015 1.00 74.25 H new ATOM 0 HA THR A 10 -10.397 -11.294 2.598 1.00 13.54 H new ATOM 0 HB THR A 10 -12.222 -10.494 0.331 1.00 0.01 H new ATOM 0 HG1 THR A 10 -11.853 -12.584 -0.426 1.00 34.44 H new ATOM 0 HG21 THR A 10 -10.203 -10.606 -1.080 1.00 21.15 H new ATOM 0 HG22 THR A 10 -10.045 -9.389 0.209 1.00 21.15 H new ATOM 0 HG23 THR A 10 -9.221 -10.959 0.361 1.00 21.15 H new ATOM 143 N PHE A 11 -12.440 -8.757 2.858 1.00 2.31 N ATOM 144 CA PHE A 11 -12.628 -7.464 3.509 1.00 54.43 C ATOM 145 C PHE A 11 -12.138 -7.476 4.957 1.00 2.41 C ATOM 146 O PHE A 11 -11.370 -6.600 5.361 1.00 32.02 O ATOM 147 CB PHE A 11 -14.117 -7.105 3.458 1.00 25.32 C ATOM 148 CG PHE A 11 -14.479 -5.704 3.907 1.00 64.11 C ATOM 149 CD1 PHE A 11 -14.146 -4.599 3.105 1.00 71.24 C ATOM 150 CD2 PHE A 11 -15.239 -5.509 5.077 1.00 32.05 C ATOM 151 CE1 PHE A 11 -14.577 -3.311 3.467 1.00 72.32 C ATOM 152 CE2 PHE A 11 -15.695 -4.224 5.424 1.00 20.31 C ATOM 153 CZ PHE A 11 -15.374 -3.124 4.610 1.00 65.24 C ATOM 0 H PHE A 11 -13.311 -9.127 2.477 1.00 2.31 H new ATOM 0 HA PHE A 11 -12.037 -6.717 2.979 1.00 54.43 H new ATOM 0 HB2 PHE A 11 -14.468 -7.239 2.435 1.00 25.32 H new ATOM 0 HB3 PHE A 11 -14.663 -7.816 4.078 1.00 25.32 H new ATOM 0 HD1 PHE A 11 -13.558 -4.740 2.210 1.00 71.24 H new ATOM 0 HD2 PHE A 11 -15.473 -6.351 5.712 1.00 32.05 H new ATOM 0 HE1 PHE A 11 -14.294 -2.461 2.864 1.00 72.32 H new ATOM 0 HE2 PHE A 11 -16.290 -4.083 6.314 1.00 20.31 H new ATOM 0 HZ PHE A 11 -15.738 -2.139 4.862 1.00 65.24 H new ATOM 163 N SER A 12 -12.551 -8.461 5.749 1.00 52.41 N ATOM 164 CA SER A 12 -12.114 -8.583 7.135 1.00 3.30 C ATOM 165 C SER A 12 -10.600 -8.828 7.202 1.00 51.11 C ATOM 166 O SER A 12 -9.929 -8.260 8.065 1.00 3.04 O ATOM 167 CB SER A 12 -12.892 -9.691 7.851 1.00 34.53 C ATOM 168 OG SER A 12 -14.290 -9.552 7.670 1.00 33.32 O ATOM 0 H SER A 12 -13.195 -9.193 5.450 1.00 52.41 H new ATOM 0 HA SER A 12 -12.323 -7.646 7.650 1.00 3.30 H new ATOM 0 HB2 SER A 12 -12.571 -10.662 7.474 1.00 34.53 H new ATOM 0 HB3 SER A 12 -12.659 -9.669 8.916 1.00 34.53 H new ATOM 0 HG SER A 12 -14.529 -9.813 6.756 1.00 33.32 H new ATOM 174 N ILE A 13 -10.051 -9.619 6.271 1.00 45.32 N ATOM 175 CA ILE A 13 -8.634 -9.970 6.244 1.00 14.50 C ATOM 176 C ILE A 13 -7.793 -8.699 6.045 1.00 34.12 C ATOM 177 O ILE A 13 -6.888 -8.440 6.845 1.00 34.35 O ATOM 178 CB ILE A 13 -8.341 -11.049 5.173 1.00 15.23 C ATOM 179 CG1 ILE A 13 -9.167 -12.357 5.238 1.00 24.34 C ATOM 180 CG2 ILE A 13 -6.851 -11.432 5.216 1.00 52.31 C ATOM 181 CD1 ILE A 13 -9.629 -12.811 6.625 1.00 3.22 C ATOM 0 H ILE A 13 -10.588 -10.035 5.510 1.00 45.32 H new ATOM 0 HA ILE A 13 -8.355 -10.412 7.201 1.00 14.50 H new ATOM 0 HB ILE A 13 -8.641 -10.565 4.243 1.00 15.23 H new ATOM 0 HG12 ILE A 13 -10.049 -12.234 4.609 1.00 24.34 H new ATOM 0 HG13 ILE A 13 -8.572 -13.157 4.799 1.00 24.34 H new ATOM 0 HG21 ILE A 13 -6.649 -12.192 4.461 1.00 52.31 H new ATOM 0 HG22 ILE A 13 -6.243 -10.550 5.016 1.00 52.31 H new ATOM 0 HG23 ILE A 13 -6.605 -11.826 6.202 1.00 52.31 H new ATOM 0 HD11 ILE A 13 -10.196 -13.737 6.534 1.00 3.22 H new ATOM 0 HD12 ILE A 13 -8.760 -12.979 7.261 1.00 3.22 H new ATOM 0 HD13 ILE A 13 -10.260 -12.041 7.068 1.00 3.22 H new ATOM 193 N CYS A 14 -8.083 -7.890 5.013 1.00 42.43 N ATOM 194 CA CYS A 14 -7.332 -6.646 4.815 1.00 71.02 C ATOM 195 C CYS A 14 -7.449 -5.697 6.011 1.00 75.44 C ATOM 196 O CYS A 14 -6.435 -5.139 6.411 1.00 53.24 O ATOM 197 CB CYS A 14 -7.637 -5.926 3.495 1.00 61.45 C ATOM 198 SG CYS A 14 -9.402 -5.842 3.119 1.00 44.54 S ATOM 0 H CYS A 14 -8.812 -8.070 4.322 1.00 42.43 H new ATOM 0 HA CYS A 14 -6.292 -6.964 4.741 1.00 71.02 H new ATOM 0 HB2 CYS A 14 -7.233 -4.914 3.539 1.00 61.45 H new ATOM 0 HB3 CYS A 14 -7.123 -6.439 2.682 1.00 61.45 H new ATOM 0 HG CYS A 14 -9.721 -4.622 2.804 1.00 44.54 H new ATOM 204 N LYS A 15 -8.631 -5.535 6.610 1.00 61.20 N ATOM 205 CA LYS A 15 -8.798 -4.809 7.875 1.00 71.41 C ATOM 206 C LYS A 15 -7.795 -5.283 8.924 1.00 64.32 C ATOM 207 O LYS A 15 -7.161 -4.444 9.557 1.00 53.44 O ATOM 208 CB LYS A 15 -10.233 -4.963 8.405 1.00 2.12 C ATOM 209 CG LYS A 15 -11.065 -3.682 8.272 1.00 72.43 C ATOM 210 CD LYS A 15 -12.547 -4.048 8.441 1.00 54.23 C ATOM 211 CE LYS A 15 -13.537 -2.910 8.183 1.00 22.04 C ATOM 212 NZ LYS A 15 -13.426 -2.365 6.817 1.00 53.52 N1+ ATOM 0 H LYS A 15 -9.503 -5.904 6.232 1.00 61.20 H new ATOM 0 HA LYS A 15 -8.608 -3.754 7.677 1.00 71.41 H new ATOM 0 HB2 LYS A 15 -10.729 -5.769 7.864 1.00 2.12 H new ATOM 0 HB3 LYS A 15 -10.197 -5.258 9.454 1.00 2.12 H new ATOM 0 HG2 LYS A 15 -10.765 -2.955 9.027 1.00 72.43 H new ATOM 0 HG3 LYS A 15 -10.897 -3.220 7.299 1.00 72.43 H new ATOM 0 HD2 LYS A 15 -12.780 -4.870 7.765 1.00 54.23 H new ATOM 0 HD3 LYS A 15 -12.699 -4.417 9.455 1.00 54.23 H new ATOM 0 HE2 LYS A 15 -14.552 -3.272 8.345 1.00 22.04 H new ATOM 0 HE3 LYS A 15 -13.364 -2.112 8.905 1.00 22.04 H new ATOM 0 HZ1 LYS A 15 -13.250 -1.341 6.865 1.00 53.52 H new ATOM 0 HZ2 LYS A 15 -12.638 -2.829 6.321 1.00 53.52 H new ATOM 0 HZ3 LYS A 15 -14.312 -2.540 6.300 1.00 53.52 H new ATOM 226 N GLU A 16 -7.667 -6.590 9.143 1.00 32.01 N ATOM 227 CA GLU A 16 -6.763 -7.128 10.153 1.00 34.41 C ATOM 228 C GLU A 16 -5.297 -6.891 9.781 1.00 35.03 C ATOM 229 O GLU A 16 -4.486 -6.693 10.680 1.00 3.44 O ATOM 230 CB GLU A 16 -7.029 -8.630 10.355 1.00 11.31 C ATOM 231 CG GLU A 16 -8.144 -8.896 11.371 1.00 11.31 C ATOM 232 CD GLU A 16 -7.698 -8.510 12.789 1.00 44.31 C ATOM 233 OE1 GLU A 16 -6.896 -9.267 13.382 1.00 73.22 O ATOM 234 OE2 GLU A 16 -8.131 -7.450 13.305 1.00 55.10 O1- ATOM 0 H GLU A 16 -8.185 -7.302 8.627 1.00 32.01 H new ATOM 0 HA GLU A 16 -6.955 -6.602 11.088 1.00 34.41 H new ATOM 0 HB2 GLU A 16 -7.298 -9.080 9.399 1.00 11.31 H new ATOM 0 HB3 GLU A 16 -6.113 -9.116 10.690 1.00 11.31 H new ATOM 0 HG2 GLU A 16 -9.033 -8.328 11.098 1.00 11.31 H new ATOM 0 HG3 GLU A 16 -8.420 -9.950 11.347 1.00 11.31 H new ATOM 241 N ARG A 17 -4.929 -6.889 8.497 1.00 63.14 N ATOM 242 CA ARG A 17 -3.540 -6.604 8.112 1.00 23.14 C ATOM 243 C ARG A 17 -3.253 -5.110 8.258 1.00 53.13 C ATOM 244 O ARG A 17 -2.201 -4.709 8.755 1.00 22.52 O ATOM 245 CB ARG A 17 -3.235 -7.100 6.683 1.00 51.25 C ATOM 246 CG ARG A 17 -2.823 -8.582 6.641 1.00 12.51 C ATOM 247 CD ARG A 17 -4.006 -9.523 6.849 1.00 23.13 C ATOM 248 NE ARG A 17 -3.596 -10.909 7.127 1.00 4.42 N ATOM 249 CZ ARG A 17 -4.209 -11.718 8.006 1.00 41.23 C ATOM 250 NH1 ARG A 17 -5.314 -11.319 8.634 1.00 10.31 N1+ ATOM 251 NH2 ARG A 17 -3.739 -12.931 8.263 1.00 54.34 N ATOM 0 H ARG A 17 -5.559 -7.078 7.717 1.00 63.14 H new ATOM 0 HA ARG A 17 -2.878 -7.150 8.784 1.00 23.14 H new ATOM 0 HB2 ARG A 17 -4.116 -6.955 6.057 1.00 51.25 H new ATOM 0 HB3 ARG A 17 -2.437 -6.493 6.256 1.00 51.25 H new ATOM 0 HG2 ARG A 17 -2.355 -8.799 5.681 1.00 12.51 H new ATOM 0 HG3 ARG A 17 -2.074 -8.770 7.410 1.00 12.51 H new ATOM 0 HD2 ARG A 17 -4.614 -9.157 7.677 1.00 23.13 H new ATOM 0 HD3 ARG A 17 -4.636 -9.508 5.960 1.00 23.13 H new ATOM 0 HE ARG A 17 -2.793 -11.279 6.618 1.00 4.42 H new ATOM 0 HH11 ARG A 17 -5.700 -10.393 8.448 1.00 10.31 H new ATOM 0 HH12 ARG A 17 -5.774 -11.939 9.300 1.00 10.31 H new ATOM 0 HH21 ARG A 17 -2.899 -13.263 7.790 1.00 54.34 H new ATOM 0 HH22 ARG A 17 -4.218 -13.532 8.934 1.00 54.34 H new ATOM 265 N MET A 18 -4.188 -4.262 7.842 1.00 71.35 N ATOM 266 CA MET A 18 -4.096 -2.820 7.983 1.00 21.12 C ATOM 267 C MET A 18 -4.497 -2.440 9.409 1.00 10.24 C ATOM 268 O MET A 18 -5.529 -1.797 9.620 1.00 60.01 O ATOM 269 CB MET A 18 -4.951 -2.122 6.908 1.00 35.41 C ATOM 270 CG MET A 18 -4.250 -2.025 5.547 1.00 63.51 C ATOM 271 SD MET A 18 -3.906 -3.588 4.698 1.00 62.02 S ATOM 272 CE MET A 18 -2.161 -3.291 4.330 1.00 72.55 C ATOM 0 H MET A 18 -5.048 -4.569 7.388 1.00 71.35 H new ATOM 0 HA MET A 18 -3.073 -2.481 7.823 1.00 21.12 H new ATOM 0 HB2 MET A 18 -5.888 -2.666 6.789 1.00 35.41 H new ATOM 0 HB3 MET A 18 -5.206 -1.119 7.250 1.00 35.41 H new ATOM 0 HG2 MET A 18 -4.864 -1.409 4.891 1.00 63.51 H new ATOM 0 HG3 MET A 18 -3.306 -1.498 5.687 1.00 63.51 H new ATOM 0 HE1 MET A 18 -1.649 -4.245 4.203 1.00 72.55 H new ATOM 0 HE2 MET A 18 -2.077 -2.708 3.413 1.00 72.55 H new ATOM 0 HE3 MET A 18 -1.704 -2.741 5.153 1.00 72.55 H new ATOM 282 N ARG A 19 -3.653 -2.806 10.382 1.00 70.53 N ATOM 283 CA ARG A 19 -3.770 -2.394 11.774 1.00 32.31 C ATOM 284 C ARG A 19 -2.686 -1.357 12.039 1.00 1.35 C ATOM 285 O ARG A 19 -3.029 -0.174 12.091 1.00 33.22 O ATOM 286 CB ARG A 19 -3.762 -3.611 12.727 1.00 55.31 C ATOM 287 CG ARG A 19 -5.138 -4.295 12.815 1.00 70.22 C ATOM 288 CD ARG A 19 -5.176 -5.423 13.857 1.00 11.33 C ATOM 289 NE ARG A 19 -4.320 -6.554 13.471 1.00 22.22 N ATOM 290 CZ ARG A 19 -3.668 -7.401 14.276 1.00 44.22 C ATOM 291 NH1 ARG A 19 -3.743 -7.283 15.600 1.00 3.14 N1+ ATOM 292 NH2 ARG A 19 -2.915 -8.347 13.736 1.00 44.53 N ATOM 0 H ARG A 19 -2.851 -3.413 10.211 1.00 70.53 H new ATOM 0 HA ARG A 19 -4.733 -1.924 11.974 1.00 32.31 H new ATOM 0 HB2 ARG A 19 -3.021 -4.333 12.384 1.00 55.31 H new ATOM 0 HB3 ARG A 19 -3.455 -3.288 13.722 1.00 55.31 H new ATOM 0 HG2 ARG A 19 -5.894 -3.550 13.065 1.00 70.22 H new ATOM 0 HG3 ARG A 19 -5.401 -4.700 11.838 1.00 70.22 H new ATOM 0 HD2 ARG A 19 -4.852 -5.036 14.823 1.00 11.33 H new ATOM 0 HD3 ARG A 19 -6.202 -5.770 13.980 1.00 11.33 H new ATOM 0 HE ARG A 19 -4.210 -6.712 12.469 1.00 22.22 H new ATOM 0 HH11 ARG A 19 -4.304 -6.539 16.015 1.00 3.14 H new ATOM 0 HH12 ARG A 19 -3.240 -7.937 16.200 1.00 3.14 H new ATOM 0 HH21 ARG A 19 -2.839 -8.421 12.722 1.00 44.53 H new ATOM 0 HH22 ARG A 19 -2.411 -9.001 14.335 1.00 44.53 H new ATOM 306 N PRO A 20 -1.386 -1.703 12.073 1.00 55.23 N ATOM 307 CA PRO A 20 -0.345 -0.738 12.408 1.00 5.31 C ATOM 308 C PRO A 20 -0.309 0.435 11.421 1.00 5.24 C ATOM 309 O PRO A 20 -0.226 1.599 11.819 1.00 22.40 O ATOM 310 CB PRO A 20 0.947 -1.554 12.432 1.00 24.21 C ATOM 311 CG PRO A 20 0.687 -2.740 11.514 1.00 41.52 C ATOM 312 CD PRO A 20 -0.786 -3.007 11.797 1.00 62.13 C ATOM 0 HA PRO A 20 -0.519 -0.255 13.370 1.00 5.31 H new ATOM 0 HB2 PRO A 20 1.793 -0.963 12.081 1.00 24.21 H new ATOM 0 HB3 PRO A 20 1.186 -1.884 13.443 1.00 24.21 H new ATOM 0 HG2 PRO A 20 0.869 -2.499 10.467 1.00 41.52 H new ATOM 0 HG3 PRO A 20 1.316 -3.596 11.758 1.00 41.52 H new ATOM 0 HD2 PRO A 20 -1.267 -3.485 10.944 1.00 62.13 H new ATOM 0 HD3 PRO A 20 -0.904 -3.679 12.647 1.00 62.13 H new ATOM 320 N VAL A 21 -0.480 0.154 10.129 1.00 53.43 N ATOM 321 CA VAL A 21 -0.388 1.146 9.059 1.00 65.33 C ATOM 322 C VAL A 21 -1.654 2.008 8.918 1.00 34.13 C ATOM 323 O VAL A 21 -1.763 2.766 7.951 1.00 65.24 O ATOM 324 CB VAL A 21 0.051 0.473 7.735 1.00 4.30 C ATOM 325 CG1 VAL A 21 1.522 0.056 7.820 1.00 52.03 C ATOM 326 CG2 VAL A 21 -0.778 -0.756 7.329 1.00 41.14 C ATOM 0 H VAL A 21 -0.690 -0.785 9.792 1.00 53.43 H new ATOM 0 HA VAL A 21 0.389 1.859 9.336 1.00 65.33 H new ATOM 0 HB VAL A 21 -0.113 1.230 6.968 1.00 4.30 H new ATOM 0 HG11 VAL A 21 1.821 -0.416 6.884 1.00 52.03 H new ATOM 0 HG12 VAL A 21 2.140 0.936 7.996 1.00 52.03 H new ATOM 0 HG13 VAL A 21 1.653 -0.649 8.641 1.00 52.03 H new ATOM 0 HG21 VAL A 21 -0.397 -1.158 6.391 1.00 41.14 H new ATOM 0 HG22 VAL A 21 -0.705 -1.517 8.106 1.00 41.14 H new ATOM 0 HG23 VAL A 21 -1.821 -0.466 7.202 1.00 41.14 H new ATOM 336 N LYS A 22 -2.615 1.931 9.855 1.00 4.01 N ATOM 337 CA LYS A 22 -3.838 2.735 9.783 1.00 52.15 C ATOM 338 C LYS A 22 -3.558 4.214 9.604 1.00 32.24 C ATOM 339 O LYS A 22 -4.186 4.818 8.737 1.00 35.14 O ATOM 340 CB LYS A 22 -4.756 2.521 11.000 1.00 14.31 C ATOM 341 CG LYS A 22 -5.796 1.446 10.684 1.00 51.24 C ATOM 342 CD LYS A 22 -6.843 1.299 11.793 1.00 4.42 C ATOM 343 CE LYS A 22 -8.000 0.481 11.216 1.00 30.13 C ATOM 344 NZ LYS A 22 -9.067 0.207 12.195 1.00 62.13 N1+ ATOM 0 H LYS A 22 -2.564 1.319 10.669 1.00 4.01 H new ATOM 0 HA LYS A 22 -4.359 2.380 8.894 1.00 52.15 H new ATOM 0 HB2 LYS A 22 -4.164 2.223 11.865 1.00 14.31 H new ATOM 0 HB3 LYS A 22 -5.253 3.455 11.260 1.00 14.31 H new ATOM 0 HG2 LYS A 22 -6.296 1.693 9.747 1.00 51.24 H new ATOM 0 HG3 LYS A 22 -5.293 0.491 10.535 1.00 51.24 H new ATOM 0 HD2 LYS A 22 -6.415 0.800 12.663 1.00 4.42 H new ATOM 0 HD3 LYS A 22 -7.191 2.277 12.126 1.00 4.42 H new ATOM 0 HE2 LYS A 22 -8.425 1.015 10.366 1.00 30.13 H new ATOM 0 HE3 LYS A 22 -7.613 -0.465 10.837 1.00 30.13 H new ATOM 0 HZ1 LYS A 22 -9.819 -0.350 11.742 1.00 62.13 H new ATOM 0 HZ2 LYS A 22 -8.674 -0.328 12.996 1.00 62.13 H new ATOM 0 HZ3 LYS A 22 -9.461 1.106 12.540 1.00 62.13 H new ATOM 358 N ALA A 23 -2.629 4.778 10.381 1.00 3.10 N ATOM 359 CA ALA A 23 -2.301 6.188 10.250 1.00 60.23 C ATOM 360 C ALA A 23 -1.931 6.534 8.817 1.00 22.25 C ATOM 361 O ALA A 23 -2.518 7.445 8.246 1.00 61.41 O ATOM 362 CB ALA A 23 -1.147 6.569 11.168 1.00 13.54 C ATOM 0 H ALA A 23 -2.100 4.281 11.098 1.00 3.10 H new ATOM 0 HA ALA A 23 -3.189 6.752 10.536 1.00 60.23 H new ATOM 0 HB1 ALA A 23 -0.923 7.629 11.050 1.00 13.54 H new ATOM 0 HB2 ALA A 23 -1.425 6.370 12.203 1.00 13.54 H new ATOM 0 HB3 ALA A 23 -0.267 5.981 10.909 1.00 13.54 H new ATOM 368 N ALA A 24 -0.979 5.795 8.249 1.00 33.30 N ATOM 369 CA ALA A 24 -0.423 6.099 6.945 1.00 54.32 C ATOM 370 C ALA A 24 -1.514 6.013 5.884 1.00 25.33 C ATOM 371 O ALA A 24 -1.685 6.932 5.089 1.00 41.25 O ATOM 372 CB ALA A 24 0.720 5.129 6.643 1.00 1.31 C ATOM 0 H ALA A 24 -0.575 4.967 8.687 1.00 33.30 H new ATOM 0 HA ALA A 24 -0.026 7.114 6.938 1.00 54.32 H new ATOM 0 HB1 ALA A 24 1.140 5.355 5.663 1.00 1.31 H new ATOM 0 HB2 ALA A 24 1.495 5.232 7.402 1.00 1.31 H new ATOM 0 HB3 ALA A 24 0.341 4.107 6.648 1.00 1.31 H new ATOM 378 N LEU A 25 -2.264 4.908 5.868 1.00 62.25 N ATOM 379 CA LEU A 25 -3.312 4.695 4.883 1.00 63.42 C ATOM 380 C LEU A 25 -4.405 5.756 5.011 1.00 64.02 C ATOM 381 O LEU A 25 -4.906 6.238 4.004 1.00 34.33 O ATOM 382 CB LEU A 25 -3.785 3.228 4.931 1.00 1.32 C ATOM 383 CG LEU A 25 -5.077 2.920 5.713 1.00 2.24 C ATOM 384 CD1 LEU A 25 -6.333 3.146 4.867 1.00 2.21 C ATOM 385 CD2 LEU A 25 -5.078 1.453 6.147 1.00 60.44 C ATOM 0 H LEU A 25 -2.158 4.144 6.535 1.00 62.25 H new ATOM 0 HA LEU A 25 -2.928 4.836 3.873 1.00 63.42 H new ATOM 0 HB2 LEU A 25 -3.923 2.886 3.905 1.00 1.32 H new ATOM 0 HB3 LEU A 25 -2.982 2.630 5.361 1.00 1.32 H new ATOM 0 HG LEU A 25 -5.096 3.594 6.569 1.00 2.24 H new ATOM 0 HD11 LEU A 25 -7.218 2.916 5.461 1.00 2.21 H new ATOM 0 HD12 LEU A 25 -6.372 4.187 4.545 1.00 2.21 H new ATOM 0 HD13 LEU A 25 -6.304 2.496 3.992 1.00 2.21 H new ATOM 0 HD21 LEU A 25 -5.992 1.238 6.700 1.00 60.44 H new ATOM 0 HD22 LEU A 25 -5.027 0.813 5.266 1.00 60.44 H new ATOM 0 HD23 LEU A 25 -4.215 1.262 6.785 1.00 60.44 H new ATOM 397 N LYS A 26 -4.774 6.147 6.234 1.00 54.00 N ATOM 398 CA LYS A 26 -5.789 7.178 6.429 1.00 74.52 C ATOM 399 C LYS A 26 -5.272 8.545 5.978 1.00 13.22 C ATOM 400 O LYS A 26 -6.035 9.294 5.373 1.00 65.43 O ATOM 401 CB LYS A 26 -6.275 7.180 7.880 1.00 21.25 C ATOM 402 CG LYS A 26 -7.506 8.083 8.036 1.00 45.03 C ATOM 403 CD LYS A 26 -8.182 7.875 9.397 1.00 54.44 C ATOM 404 CE LYS A 26 -9.400 8.782 9.585 1.00 30.32 C ATOM 405 NZ LYS A 26 -9.076 10.220 9.463 1.00 3.34 N1+ ATOM 0 H LYS A 26 -4.386 5.766 7.097 1.00 54.00 H new ATOM 0 HA LYS A 26 -6.652 6.950 5.803 1.00 74.52 H new ATOM 0 HB2 LYS A 26 -6.521 6.164 8.188 1.00 21.25 H new ATOM 0 HB3 LYS A 26 -5.477 7.527 8.536 1.00 21.25 H new ATOM 0 HG2 LYS A 26 -7.210 9.127 7.931 1.00 45.03 H new ATOM 0 HG3 LYS A 26 -8.218 7.872 7.238 1.00 45.03 H new ATOM 0 HD2 LYS A 26 -8.489 6.834 9.492 1.00 54.44 H new ATOM 0 HD3 LYS A 26 -7.461 8.069 10.192 1.00 54.44 H new ATOM 0 HE2 LYS A 26 -10.157 8.522 8.845 1.00 30.32 H new ATOM 0 HE3 LYS A 26 -9.836 8.596 10.566 1.00 30.32 H new ATOM 0 HZ1 LYS A 26 -9.894 10.787 9.764 1.00 3.34 H new ATOM 0 HZ2 LYS A 26 -8.259 10.444 10.066 1.00 3.34 H new ATOM 0 HZ3 LYS A 26 -8.847 10.442 8.473 1.00 3.34 H new ATOM 419 N GLN A 27 -3.992 8.851 6.208 1.00 44.31 N ATOM 420 CA GLN A 27 -3.362 10.060 5.662 1.00 45.20 C ATOM 421 C GLN A 27 -3.418 10.087 4.126 1.00 75.11 C ATOM 422 O GLN A 27 -3.380 11.174 3.550 1.00 3.23 O ATOM 423 CB GLN A 27 -1.897 10.196 6.125 1.00 63.33 C ATOM 424 CG GLN A 27 -1.701 10.348 7.645 1.00 62.13 C ATOM 425 CD GLN A 27 -1.601 11.791 8.130 1.00 71.01 C ATOM 426 OE1 GLN A 27 -2.451 12.629 7.834 1.00 33.44 O ATOM 427 NE2 GLN A 27 -0.600 12.119 8.931 1.00 1.20 N ATOM 0 H GLN A 27 -3.367 8.275 6.772 1.00 44.31 H new ATOM 0 HA GLN A 27 -3.932 10.905 6.047 1.00 45.20 H new ATOM 0 HB2 GLN A 27 -1.344 9.319 5.789 1.00 63.33 H new ATOM 0 HB3 GLN A 27 -1.455 11.060 5.630 1.00 63.33 H new ATOM 0 HG2 GLN A 27 -2.533 9.863 8.156 1.00 62.13 H new ATOM 0 HG3 GLN A 27 -0.795 9.817 7.936 1.00 62.13 H new ATOM 0 HE21 GLN A 27 0.105 11.424 9.177 1.00 1.20 H new ATOM 0 HE22 GLN A 27 -0.534 13.067 9.303 1.00 1.20 H new ATOM 436 N LEU A 28 -3.501 8.935 3.450 1.00 32.11 N ATOM 437 CA LEU A 28 -3.598 8.867 1.994 1.00 1.43 C ATOM 438 C LEU A 28 -5.007 9.180 1.480 1.00 13.42 C ATOM 439 O LEU A 28 -5.134 9.568 0.315 1.00 2.11 O ATOM 440 CB LEU A 28 -3.095 7.504 1.481 1.00 33.02 C ATOM 441 CG LEU A 28 -1.700 7.600 0.837 1.00 3.21 C ATOM 442 CD1 LEU A 28 -0.611 7.918 1.870 1.00 34.30 C ATOM 443 CD2 LEU A 28 -1.361 6.277 0.143 1.00 62.12 C ATOM 0 H LEU A 28 -3.502 8.021 3.903 1.00 32.11 H new ATOM 0 HA LEU A 28 -2.951 9.646 1.591 1.00 1.43 H new ATOM 0 HB2 LEU A 28 -3.062 6.796 2.309 1.00 33.02 H new ATOM 0 HB3 LEU A 28 -3.803 7.109 0.752 1.00 33.02 H new ATOM 0 HG LEU A 28 -1.728 8.415 0.113 1.00 3.21 H new ATOM 0 HD11 LEU A 28 0.357 7.976 1.372 1.00 34.30 H new ATOM 0 HD12 LEU A 28 -0.831 8.872 2.349 1.00 34.30 H new ATOM 0 HD13 LEU A 28 -0.584 7.131 2.624 1.00 34.30 H new ATOM 0 HD21 LEU A 28 -0.373 6.348 -0.312 1.00 62.12 H new ATOM 0 HD22 LEU A 28 -1.366 5.470 0.876 1.00 62.12 H new ATOM 0 HD23 LEU A 28 -2.102 6.071 -0.629 1.00 62.12 H new ATOM 455 N ASP A 29 -6.032 9.056 2.327 1.00 4.35 N ATOM 456 CA ASP A 29 -7.408 9.466 2.039 1.00 23.20 C ATOM 457 C ASP A 29 -7.544 10.975 2.248 1.00 70.54 C ATOM 458 O ASP A 29 -8.127 11.697 1.430 1.00 54.23 O ATOM 459 CB ASP A 29 -8.396 8.729 2.969 1.00 44.14 C ATOM 460 CG ASP A 29 -9.819 8.816 2.422 1.00 22.52 C ATOM 461 OD1 ASP A 29 -10.374 9.935 2.397 1.00 31.42 O1- ATOM 462 OD2 ASP A 29 -10.423 7.795 2.026 1.00 42.44 O ATOM 0 H ASP A 29 -5.924 8.656 3.259 1.00 4.35 H new ATOM 0 HA ASP A 29 -7.641 9.213 1.005 1.00 23.20 H new ATOM 0 HB2 ASP A 29 -8.102 7.684 3.066 1.00 44.14 H new ATOM 0 HB3 ASP A 29 -8.358 9.165 3.967 1.00 44.14 H new ATOM 467 N ARG A 30 -6.997 11.453 3.369 1.00 1.15 N ATOM 468 CA ARG A 30 -7.154 12.803 3.892 1.00 60.23 C ATOM 469 C ARG A 30 -5.792 13.323 4.341 1.00 21.12 C ATOM 470 O ARG A 30 -5.442 13.097 5.507 1.00 42.23 O ATOM 471 CB ARG A 30 -8.197 12.833 5.020 1.00 12.30 C ATOM 472 CG ARG A 30 -9.602 12.512 4.493 1.00 32.22 C ATOM 473 CD ARG A 30 -10.685 13.270 5.261 1.00 61.42 C ATOM 474 NE ARG A 30 -11.986 13.069 4.626 1.00 74.33 N ATOM 475 CZ ARG A 30 -13.146 13.642 4.942 1.00 54.25 C ATOM 476 NH1 ARG A 30 -13.273 14.385 6.040 1.00 2.44 N1+ ATOM 477 NH2 ARG A 30 -14.179 13.444 4.138 1.00 42.22 N ATOM 0 H ARG A 30 -6.403 10.875 3.963 1.00 1.15 H new ATOM 0 HA ARG A 30 -7.530 13.464 3.111 1.00 60.23 H new ATOM 0 HB2 ARG A 30 -7.923 12.113 5.790 1.00 12.30 H new ATOM 0 HB3 ARG A 30 -8.199 13.817 5.490 1.00 12.30 H new ATOM 0 HG2 ARG A 30 -9.660 12.768 3.435 1.00 32.22 H new ATOM 0 HG3 ARG A 30 -9.783 11.440 4.572 1.00 32.22 H new ATOM 0 HD2 ARG A 30 -10.719 12.924 6.294 1.00 61.42 H new ATOM 0 HD3 ARG A 30 -10.446 14.333 5.289 1.00 61.42 H new ATOM 0 HE ARG A 30 -12.008 12.411 3.847 1.00 74.33 H new ATOM 0 HH11 ARG A 30 -12.473 14.524 6.657 1.00 2.44 H new ATOM 0 HH12 ARG A 30 -14.170 14.815 6.264 1.00 2.44 H new ATOM 0 HH21 ARG A 30 -14.073 12.866 3.304 1.00 42.22 H new ATOM 0 HH22 ARG A 30 -15.081 13.869 4.352 1.00 42.22 H new ATOM 491 N PRO A 31 -4.981 13.914 3.451 1.00 42.22 N ATOM 492 CA PRO A 31 -3.674 14.429 3.824 1.00 54.35 C ATOM 493 C PRO A 31 -3.786 15.591 4.814 1.00 4.11 C ATOM 494 O PRO A 31 -4.844 16.192 5.017 1.00 74.21 O ATOM 495 CB PRO A 31 -3.007 14.862 2.516 1.00 32.13 C ATOM 496 CG PRO A 31 -4.195 15.203 1.623 1.00 42.02 C ATOM 497 CD PRO A 31 -5.228 14.155 2.036 1.00 44.54 C ATOM 0 HA PRO A 31 -3.082 13.670 4.336 1.00 54.35 H new ATOM 0 HB2 PRO A 31 -2.352 15.721 2.662 1.00 32.13 H new ATOM 0 HB3 PRO A 31 -2.398 14.065 2.090 1.00 32.13 H new ATOM 0 HG2 PRO A 31 -4.554 16.218 1.795 1.00 42.02 H new ATOM 0 HG3 PRO A 31 -3.942 15.130 0.565 1.00 42.02 H new ATOM 0 HD2 PRO A 31 -6.243 14.515 1.869 1.00 44.54 H new ATOM 0 HD3 PRO A 31 -5.115 13.240 1.455 1.00 44.54 H new ATOM 505 N GLU A 32 -2.655 15.908 5.434 1.00 1.13 N ATOM 506 CA GLU A 32 -2.478 17.031 6.336 1.00 30.44 C ATOM 507 C GLU A 32 -2.326 18.321 5.512 1.00 4.33 C ATOM 508 O GLU A 32 -1.924 18.281 4.341 1.00 30.13 O ATOM 509 CB GLU A 32 -1.251 16.712 7.205 1.00 33.11 C ATOM 510 CG GLU A 32 -1.107 17.691 8.374 1.00 14.44 C ATOM 511 CD GLU A 32 -0.091 17.258 9.431 1.00 31.31 C ATOM 512 OE1 GLU A 32 0.629 16.255 9.241 1.00 23.13 O1- ATOM 513 OE2 GLU A 32 -0.027 17.937 10.482 1.00 41.22 O ATOM 0 H GLU A 32 -1.801 15.363 5.314 1.00 1.13 H new ATOM 0 HA GLU A 32 -3.335 17.189 6.991 1.00 30.44 H new ATOM 0 HB2 GLU A 32 -1.334 15.696 7.591 1.00 33.11 H new ATOM 0 HB3 GLU A 32 -0.352 16.747 6.590 1.00 33.11 H new ATOM 0 HG2 GLU A 32 -0.815 18.666 7.983 1.00 14.44 H new ATOM 0 HG3 GLU A 32 -2.079 17.816 8.850 1.00 14.44 H new ATOM 520 N LYS A 33 -2.637 19.476 6.116 1.00 52.24 N ATOM 521 CA LYS A 33 -2.727 20.777 5.459 1.00 32.14 C ATOM 522 C LYS A 33 -2.023 21.915 6.198 1.00 2.41 C ATOM 523 O LYS A 33 -1.998 23.042 5.693 1.00 0.40 O ATOM 524 CB LYS A 33 -4.205 21.150 5.226 1.00 62.42 C ATOM 525 CG LYS A 33 -4.945 20.254 4.229 1.00 63.41 C ATOM 526 CD LYS A 33 -4.267 20.272 2.854 1.00 51.51 C ATOM 527 CE LYS A 33 -5.257 20.348 1.696 1.00 43.22 C ATOM 528 NZ LYS A 33 -5.883 21.677 1.572 1.00 43.21 N1+ ATOM 0 H LYS A 33 -2.840 19.526 7.114 1.00 52.24 H new ATOM 0 HA LYS A 33 -2.199 20.662 4.512 1.00 32.14 H new ATOM 0 HB2 LYS A 33 -4.728 21.116 6.181 1.00 62.42 H new ATOM 0 HB3 LYS A 33 -4.254 22.180 4.873 1.00 62.42 H new ATOM 0 HG2 LYS A 33 -4.976 19.233 4.608 1.00 63.41 H new ATOM 0 HG3 LYS A 33 -5.978 20.589 4.132 1.00 63.41 H new ATOM 0 HD2 LYS A 33 -3.590 21.125 2.801 1.00 51.51 H new ATOM 0 HD3 LYS A 33 -3.658 19.374 2.745 1.00 51.51 H new ATOM 0 HE2 LYS A 33 -4.743 20.105 0.766 1.00 43.22 H new ATOM 0 HE3 LYS A 33 -6.034 19.596 1.837 1.00 43.22 H new ATOM 0 HZ1 LYS A 33 -6.546 21.675 0.771 1.00 43.21 H new ATOM 0 HZ2 LYS A 33 -6.398 21.901 2.447 1.00 43.21 H new ATOM 0 HZ3 LYS A 33 -5.147 22.394 1.410 1.00 43.21 H new ATOM 542 N GLY A 34 -1.478 21.645 7.375 1.00 62.23 N ATOM 543 CA GLY A 34 -0.924 22.637 8.289 1.00 43.33 C ATOM 544 C GLY A 34 0.601 22.607 8.389 1.00 1.12 C ATOM 545 O GLY A 34 1.161 23.200 9.309 1.00 35.04 O ATOM 0 H GLY A 34 -1.406 20.693 7.735 1.00 62.23 H new ATOM 0 HA2 GLY A 34 -1.237 23.629 7.965 1.00 43.33 H new ATOM 0 HA3 GLY A 34 -1.346 22.478 9.281 1.00 43.33 H new ATOM 549 N LEU A 35 1.294 21.907 7.489 1.00 20.30 N ATOM 550 CA LEU A 35 2.742 21.783 7.484 1.00 75.01 C ATOM 551 C LEU A 35 3.318 22.549 6.301 1.00 50.32 C ATOM 552 O LEU A 35 2.623 23.209 5.529 1.00 62.14 O ATOM 553 CB LEU A 35 3.122 20.288 7.466 1.00 30.55 C ATOM 554 CG LEU A 35 3.632 19.728 8.807 1.00 75.10 C ATOM 555 CD1 LEU A 35 2.787 20.124 10.025 1.00 74.41 C ATOM 556 CD2 LEU A 35 3.638 18.195 8.717 1.00 10.10 C ATOM 0 H LEU A 35 0.846 21.400 6.726 1.00 20.30 H new ATOM 0 HA LEU A 35 3.169 22.220 8.386 1.00 75.01 H new ATOM 0 HB2 LEU A 35 2.250 19.711 7.157 1.00 30.55 H new ATOM 0 HB3 LEU A 35 3.891 20.134 6.709 1.00 30.55 H new ATOM 0 HG LEU A 35 4.624 20.153 8.960 1.00 75.10 H new ATOM 0 HD11 LEU A 35 3.219 19.686 10.925 1.00 74.41 H new ATOM 0 HD12 LEU A 35 2.773 21.210 10.120 1.00 74.41 H new ATOM 0 HD13 LEU A 35 1.769 19.758 9.896 1.00 74.41 H new ATOM 0 HD21 LEU A 35 3.996 17.777 9.658 1.00 10.10 H new ATOM 0 HD22 LEU A 35 2.627 17.838 8.523 1.00 10.10 H new ATOM 0 HD23 LEU A 35 4.295 17.881 7.906 1.00 10.10 H new ATOM 568 N SER A 36 4.623 22.420 6.170 1.00 13.30 N ATOM 569 CA SER A 36 5.474 23.039 5.182 1.00 21.20 C ATOM 570 C SER A 36 5.395 22.256 3.859 1.00 65.31 C ATOM 571 O SER A 36 4.750 21.205 3.793 1.00 60.15 O ATOM 572 CB SER A 36 6.906 23.158 5.740 1.00 50.44 C ATOM 573 OG SER A 36 6.934 23.275 7.164 1.00 62.23 O ATOM 0 H SER A 36 5.157 21.829 6.807 1.00 13.30 H new ATOM 0 HA SER A 36 5.135 24.051 4.962 1.00 21.20 H new ATOM 0 HB2 SER A 36 7.483 22.283 5.440 1.00 50.44 H new ATOM 0 HB3 SER A 36 7.393 24.027 5.298 1.00 50.44 H new ATOM 0 HG SER A 36 7.863 23.346 7.468 1.00 62.23 H new ATOM 579 N GLU A 37 6.040 22.728 2.790 1.00 43.12 N ATOM 580 CA GLU A 37 6.119 22.000 1.527 1.00 23.33 C ATOM 581 C GLU A 37 7.087 20.823 1.648 1.00 0.42 C ATOM 582 O GLU A 37 6.773 19.710 1.225 1.00 53.05 O ATOM 583 CB GLU A 37 6.591 22.948 0.421 1.00 4.24 C ATOM 584 CG GLU A 37 5.443 23.779 -0.165 1.00 51.34 C ATOM 585 CD GLU A 37 5.973 24.771 -1.196 1.00 10.03 C ATOM 586 OE1 GLU A 37 6.823 25.603 -0.816 1.00 32.52 O1- ATOM 587 OE2 GLU A 37 5.592 24.718 -2.392 1.00 20.55 O ATOM 0 H GLU A 37 6.522 23.627 2.778 1.00 43.12 H new ATOM 0 HA GLU A 37 5.131 21.613 1.280 1.00 23.33 H new ATOM 0 HB2 GLU A 37 7.353 23.617 0.820 1.00 4.24 H new ATOM 0 HB3 GLU A 37 7.060 22.369 -0.375 1.00 4.24 H new ATOM 0 HG2 GLU A 37 4.709 23.120 -0.629 1.00 51.34 H new ATOM 0 HG3 GLU A 37 4.930 24.315 0.633 1.00 51.34 H new ATOM 594 N ARG A 38 8.265 21.058 2.237 1.00 21.15 N ATOM 595 CA ARG A 38 9.304 20.033 2.353 1.00 61.30 C ATOM 596 C ARG A 38 8.838 18.932 3.298 1.00 25.54 C ATOM 597 O ARG A 38 9.196 17.764 3.129 1.00 2.34 O ATOM 598 CB ARG A 38 10.589 20.669 2.902 1.00 12.35 C ATOM 599 CG ARG A 38 11.875 20.019 2.370 1.00 63.40 C ATOM 600 CD ARG A 38 12.241 20.610 1.003 1.00 71.42 C ATOM 601 NE ARG A 38 13.354 19.888 0.368 1.00 64.41 N ATOM 602 CZ ARG A 38 13.975 20.251 -0.761 1.00 71.50 C ATOM 603 NH1 ARG A 38 13.812 21.473 -1.260 1.00 14.30 N1+ ATOM 604 NH2 ARG A 38 14.741 19.369 -1.390 1.00 51.23 N ATOM 0 H ARG A 38 8.522 21.958 2.643 1.00 21.15 H new ATOM 0 HA ARG A 38 9.499 19.604 1.370 1.00 61.30 H new ATOM 0 HB2 ARG A 38 10.596 21.729 2.648 1.00 12.35 H new ATOM 0 HB3 ARG A 38 10.581 20.602 3.990 1.00 12.35 H new ATOM 0 HG2 ARG A 38 12.691 20.181 3.074 1.00 63.40 H new ATOM 0 HG3 ARG A 38 11.737 18.941 2.283 1.00 63.40 H new ATOM 0 HD2 ARG A 38 11.369 20.578 0.350 1.00 71.42 H new ATOM 0 HD3 ARG A 38 12.511 21.659 1.123 1.00 71.42 H new ATOM 0 HE ARG A 38 13.681 19.038 0.827 1.00 64.41 H new ATOM 0 HH11 ARG A 38 13.210 22.143 -0.782 1.00 14.30 H new ATOM 0 HH12 ARG A 38 14.289 21.740 -2.121 1.00 14.30 H new ATOM 0 HH21 ARG A 38 14.851 18.428 -1.012 1.00 51.23 H new ATOM 0 HH22 ARG A 38 15.220 19.632 -2.251 1.00 51.23 H new ATOM 618 N GLU A 39 8.042 19.331 4.289 1.00 34.32 N ATOM 619 CA GLU A 39 7.399 18.459 5.251 1.00 22.23 C ATOM 620 C GLU A 39 6.480 17.495 4.527 1.00 4.10 C ATOM 621 O GLU A 39 6.623 16.288 4.693 1.00 34.05 O ATOM 622 CB GLU A 39 6.584 19.296 6.238 1.00 71.25 C ATOM 623 CG GLU A 39 7.469 20.058 7.219 1.00 31.04 C ATOM 624 CD GLU A 39 8.256 19.143 8.154 1.00 75.22 C ATOM 625 OE1 GLU A 39 7.832 17.984 8.383 1.00 73.33 O ATOM 626 OE2 GLU A 39 9.314 19.621 8.622 1.00 14.54 O1- ATOM 0 H GLU A 39 7.823 20.315 4.444 1.00 34.32 H new ATOM 0 HA GLU A 39 8.160 17.898 5.794 1.00 22.23 H new ATOM 0 HB2 GLU A 39 5.964 20.003 5.686 1.00 71.25 H new ATOM 0 HB3 GLU A 39 5.908 18.645 6.792 1.00 71.25 H new ATOM 0 HG2 GLU A 39 8.166 20.682 6.660 1.00 31.04 H new ATOM 0 HG3 GLU A 39 6.848 20.728 7.814 1.00 31.04 H new ATOM 633 N GLN A 40 5.556 18.027 3.723 1.00 75.44 N ATOM 634 CA GLN A 40 4.629 17.224 2.935 1.00 33.21 C ATOM 635 C GLN A 40 5.391 16.221 2.075 1.00 45.12 C ATOM 636 O GLN A 40 4.974 15.073 1.939 1.00 73.12 O ATOM 637 CB GLN A 40 3.784 18.134 2.031 1.00 44.22 C ATOM 638 CG GLN A 40 2.654 18.826 2.794 1.00 34.02 C ATOM 639 CD GLN A 40 1.517 17.858 3.087 1.00 3.44 C ATOM 640 OE1 GLN A 40 0.841 17.398 2.172 1.00 24.20 O ATOM 641 NE2 GLN A 40 1.259 17.549 4.345 1.00 2.34 N ATOM 0 H GLN A 40 5.433 19.032 3.603 1.00 75.44 H new ATOM 0 HA GLN A 40 3.975 16.682 3.618 1.00 33.21 H new ATOM 0 HB2 GLN A 40 4.427 18.888 1.576 1.00 44.22 H new ATOM 0 HB3 GLN A 40 3.361 17.543 1.218 1.00 44.22 H new ATOM 0 HG2 GLN A 40 3.039 19.233 3.729 1.00 34.02 H new ATOM 0 HG3 GLN A 40 2.279 19.667 2.210 1.00 34.02 H new ATOM 0 HE21 GLN A 40 1.831 17.940 5.094 1.00 2.34 H new ATOM 0 HE22 GLN A 40 0.488 16.919 4.568 1.00 2.34 H new ATOM 650 N LEU A 41 6.511 16.662 1.502 1.00 41.12 N ATOM 651 CA LEU A 41 7.295 15.850 0.599 1.00 15.34 C ATOM 652 C LEU A 41 7.787 14.590 1.308 1.00 23.34 C ATOM 653 O LEU A 41 7.621 13.501 0.775 1.00 52.42 O ATOM 654 CB LEU A 41 8.437 16.701 0.005 1.00 21.03 C ATOM 655 CG LEU A 41 8.832 16.370 -1.443 1.00 0.11 C ATOM 656 CD1 LEU A 41 9.265 14.920 -1.641 1.00 22.31 C ATOM 657 CD2 LEU A 41 7.708 16.701 -2.430 1.00 65.33 C ATOM 0 H LEU A 41 6.893 17.595 1.657 1.00 41.12 H new ATOM 0 HA LEU A 41 6.680 15.509 -0.234 1.00 15.34 H new ATOM 0 HB2 LEU A 41 8.145 17.750 0.052 1.00 21.03 H new ATOM 0 HB3 LEU A 41 9.317 16.586 0.637 1.00 21.03 H new ATOM 0 HG LEU A 41 9.695 17.003 -1.648 1.00 0.11 H new ATOM 0 HD11 LEU A 41 9.529 14.759 -2.686 1.00 22.31 H new ATOM 0 HD12 LEU A 41 10.130 14.709 -1.011 1.00 22.31 H new ATOM 0 HD13 LEU A 41 8.446 14.255 -1.367 1.00 22.31 H new ATOM 0 HD21 LEU A 41 8.028 16.452 -3.442 1.00 65.33 H new ATOM 0 HD22 LEU A 41 6.820 16.122 -2.177 1.00 65.33 H new ATOM 0 HD23 LEU A 41 7.476 17.765 -2.374 1.00 65.33 H new ATOM 669 N GLU A 42 8.398 14.688 2.493 1.00 33.24 N ATOM 670 CA GLU A 42 8.798 13.480 3.224 1.00 33.03 C ATOM 671 C GLU A 42 7.622 12.670 3.725 1.00 40.42 C ATOM 672 O GLU A 42 7.624 11.444 3.579 1.00 21.43 O ATOM 673 CB GLU A 42 9.793 13.791 4.343 1.00 30.51 C ATOM 674 CG GLU A 42 9.350 14.669 5.520 1.00 14.32 C ATOM 675 CD GLU A 42 10.559 14.991 6.390 1.00 3.02 C ATOM 676 OE1 GLU A 42 11.361 15.863 5.967 1.00 2.14 O1- ATOM 677 OE2 GLU A 42 10.813 14.247 7.361 1.00 44.20 O ATOM 0 H GLU A 42 8.622 15.568 2.958 1.00 33.24 H new ATOM 0 HA GLU A 42 9.311 12.849 2.498 1.00 33.03 H new ATOM 0 HB2 GLU A 42 10.132 12.840 4.753 1.00 30.51 H new ATOM 0 HB3 GLU A 42 10.660 14.268 3.887 1.00 30.51 H new ATOM 0 HG2 GLU A 42 8.897 15.589 5.152 1.00 14.32 H new ATOM 0 HG3 GLU A 42 8.591 14.153 6.108 1.00 14.32 H new ATOM 684 N HIS A 43 6.644 13.383 4.268 1.00 44.33 N ATOM 685 CA HIS A 43 5.427 12.848 4.852 1.00 44.01 C ATOM 686 C HIS A 43 4.782 11.815 3.929 1.00 54.41 C ATOM 687 O HIS A 43 4.595 10.664 4.327 1.00 14.03 O ATOM 688 CB HIS A 43 4.473 14.008 5.142 1.00 30.04 C ATOM 689 CG HIS A 43 3.330 13.675 6.043 1.00 15.00 C ATOM 690 ND1 HIS A 43 3.094 14.265 7.261 1.00 21.13 N ATOM 691 CD2 HIS A 43 2.303 12.818 5.767 1.00 25.41 C ATOM 692 CE1 HIS A 43 1.923 13.795 7.710 1.00 13.25 C ATOM 693 NE2 HIS A 43 1.415 12.902 6.839 1.00 71.41 N ATOM 0 H HIS A 43 6.683 14.401 4.314 1.00 44.33 H new ATOM 0 HA HIS A 43 5.664 12.334 5.783 1.00 44.01 H new ATOM 0 HB2 HIS A 43 5.042 14.824 5.588 1.00 30.04 H new ATOM 0 HB3 HIS A 43 4.075 14.377 4.196 1.00 30.04 H new ATOM 0 HD1 HIS A 43 3.698 14.936 7.735 1.00 21.13 H new ATOM 0 HD2 HIS A 43 2.199 12.197 4.890 1.00 25.41 H new ATOM 0 HE1 HIS A 43 1.454 14.090 8.637 1.00 13.25 H new ATOM 701 N THR A 44 4.451 12.203 2.694 1.00 62.13 N ATOM 702 CA THR A 44 3.735 11.316 1.788 1.00 71.14 C ATOM 703 C THR A 44 4.548 10.043 1.521 1.00 32.51 C ATOM 704 O THR A 44 3.971 8.960 1.449 1.00 73.14 O ATOM 705 CB THR A 44 3.432 12.071 0.485 1.00 22.00 C ATOM 706 OG1 THR A 44 2.833 13.334 0.728 1.00 22.10 O ATOM 707 CG2 THR A 44 2.525 11.272 -0.448 1.00 62.22 C ATOM 0 H THR A 44 4.668 13.121 2.305 1.00 62.13 H new ATOM 0 HA THR A 44 2.795 11.007 2.244 1.00 71.14 H new ATOM 0 HB THR A 44 4.398 12.218 0.003 1.00 22.00 H new ATOM 0 HG1 THR A 44 3.523 13.978 0.990 1.00 22.10 H new ATOM 0 HG21 THR A 44 2.339 11.847 -1.355 1.00 62.22 H new ATOM 0 HG22 THR A 44 3.009 10.330 -0.708 1.00 62.22 H new ATOM 0 HG23 THR A 44 1.578 11.067 0.052 1.00 62.22 H new ATOM 715 N ARG A 45 5.879 10.135 1.385 1.00 24.01 N ATOM 716 CA ARG A 45 6.695 8.944 1.152 1.00 72.21 C ATOM 717 C ARG A 45 6.693 8.057 2.381 1.00 64.44 C ATOM 718 O ARG A 45 6.503 6.858 2.223 1.00 71.53 O ATOM 719 CB ARG A 45 8.140 9.257 0.742 1.00 64.22 C ATOM 720 CG ARG A 45 8.241 9.675 -0.728 1.00 11.44 C ATOM 721 CD ARG A 45 7.980 11.173 -0.864 1.00 54.04 C ATOM 722 NE ARG A 45 7.939 11.641 -2.250 1.00 4.24 N ATOM 723 CZ ARG A 45 8.991 11.956 -3.003 1.00 42.41 C ATOM 724 NH1 ARG A 45 10.234 11.643 -2.630 1.00 25.00 N1+ ATOM 725 NH2 ARG A 45 8.765 12.566 -4.155 1.00 0.40 N ATOM 0 H ARG A 45 6.403 11.009 1.432 1.00 24.01 H new ATOM 0 HA ARG A 45 6.237 8.425 0.310 1.00 72.21 H new ATOM 0 HB2 ARG A 45 8.531 10.055 1.374 1.00 64.22 H new ATOM 0 HB3 ARG A 45 8.764 8.380 0.913 1.00 64.22 H new ATOM 0 HG2 ARG A 45 9.230 9.433 -1.116 1.00 11.44 H new ATOM 0 HG3 ARG A 45 7.519 9.116 -1.324 1.00 11.44 H new ATOM 0 HD2 ARG A 45 7.033 11.413 -0.381 1.00 54.04 H new ATOM 0 HD3 ARG A 45 8.758 11.718 -0.329 1.00 54.04 H new ATOM 0 HE ARG A 45 7.019 11.735 -2.679 1.00 4.24 H new ATOM 0 HH11 ARG A 45 10.394 11.152 -1.751 1.00 25.00 H new ATOM 0 HH12 ARG A 45 11.024 11.895 -3.224 1.00 25.00 H new ATOM 0 HH21 ARG A 45 7.809 12.780 -4.440 1.00 0.40 H new ATOM 0 HH22 ARG A 45 9.547 12.823 -4.758 1.00 0.40 H new ATOM 739 N GLN A 46 6.904 8.617 3.569 1.00 54.25 N ATOM 740 CA GLN A 46 6.937 7.862 4.815 1.00 14.35 C ATOM 741 C GLN A 46 5.617 7.129 5.060 1.00 34.32 C ATOM 742 O GLN A 46 5.649 5.989 5.524 1.00 63.33 O ATOM 743 CB GLN A 46 7.293 8.805 5.972 1.00 1.03 C ATOM 744 CG GLN A 46 8.805 9.085 6.011 1.00 71.03 C ATOM 745 CD GLN A 46 9.576 7.980 6.734 1.00 64.21 C ATOM 746 OE1 GLN A 46 9.407 7.785 7.931 1.00 2.51 O ATOM 747 NE2 GLN A 46 10.449 7.236 6.074 1.00 72.22 N ATOM 0 H GLN A 46 7.058 9.618 3.693 1.00 54.25 H new ATOM 0 HA GLN A 46 7.706 7.093 4.745 1.00 14.35 H new ATOM 0 HB2 GLN A 46 6.749 9.743 5.862 1.00 1.03 H new ATOM 0 HB3 GLN A 46 6.977 8.362 6.917 1.00 1.03 H new ATOM 0 HG2 GLN A 46 9.182 9.183 4.993 1.00 71.03 H new ATOM 0 HG3 GLN A 46 8.984 10.037 6.510 1.00 71.03 H new ATOM 0 HE21 GLN A 46 10.598 7.389 5.077 1.00 72.22 H new ATOM 0 HE22 GLN A 46 10.972 6.510 6.563 1.00 72.22 H new ATOM 756 N CYS A 47 4.477 7.723 4.699 1.00 43.24 N ATOM 757 CA CYS A 47 3.206 7.033 4.627 1.00 44.42 C ATOM 758 C CYS A 47 3.279 5.879 3.613 1.00 2.22 C ATOM 759 O CYS A 47 3.126 4.711 3.976 1.00 63.24 O ATOM 760 CB CYS A 47 2.138 8.068 4.252 1.00 3.33 C ATOM 761 SG CYS A 47 1.752 9.129 5.669 1.00 22.35 S ATOM 0 H CYS A 47 4.420 8.710 4.447 1.00 43.24 H new ATOM 0 HA CYS A 47 2.949 6.583 5.586 1.00 44.42 H new ATOM 0 HB2 CYS A 47 2.491 8.677 3.420 1.00 3.33 H new ATOM 0 HB3 CYS A 47 1.235 7.560 3.914 1.00 3.33 H new ATOM 0 HG CYS A 47 0.848 9.998 5.327 1.00 22.35 H new ATOM 767 N LEU A 48 3.504 6.217 2.343 1.00 4.13 N ATOM 768 CA LEU A 48 3.479 5.334 1.185 1.00 3.12 C ATOM 769 C LEU A 48 4.327 4.080 1.387 1.00 50.02 C ATOM 770 O LEU A 48 3.810 2.980 1.195 1.00 33.14 O ATOM 771 CB LEU A 48 3.944 6.148 -0.029 1.00 72.14 C ATOM 772 CG LEU A 48 4.150 5.360 -1.330 1.00 60.44 C ATOM 773 CD1 LEU A 48 2.831 4.816 -1.881 1.00 73.51 C ATOM 774 CD2 LEU A 48 4.786 6.307 -2.351 1.00 44.04 C ATOM 0 H LEU A 48 3.723 7.179 2.083 1.00 4.13 H new ATOM 0 HA LEU A 48 2.464 4.968 1.028 1.00 3.12 H new ATOM 0 HB2 LEU A 48 3.212 6.934 -0.216 1.00 72.14 H new ATOM 0 HB3 LEU A 48 4.882 6.640 0.227 1.00 72.14 H new ATOM 0 HG LEU A 48 4.792 4.502 -1.132 1.00 60.44 H new ATOM 0 HD11 LEU A 48 3.021 4.265 -2.802 1.00 73.51 H new ATOM 0 HD12 LEU A 48 2.377 4.150 -1.147 1.00 73.51 H new ATOM 0 HD13 LEU A 48 2.154 5.645 -2.087 1.00 73.51 H new ATOM 0 HD21 LEU A 48 4.946 5.776 -3.289 1.00 44.04 H new ATOM 0 HD22 LEU A 48 4.123 7.155 -2.522 1.00 44.04 H new ATOM 0 HD23 LEU A 48 5.742 6.665 -1.969 1.00 44.04 H new ATOM 786 N ILE A 49 5.620 4.213 1.707 1.00 4.15 N ATOM 787 CA ILE A 49 6.484 3.065 1.902 1.00 22.35 C ATOM 788 C ILE A 49 6.005 2.212 3.066 1.00 73.31 C ATOM 789 O ILE A 49 5.982 1.002 2.916 1.00 54.42 O ATOM 790 CB ILE A 49 7.995 3.394 1.954 1.00 2.24 C ATOM 791 CG1 ILE A 49 8.550 4.278 3.096 1.00 3.42 C ATOM 792 CG2 ILE A 49 8.395 4.026 0.610 1.00 45.11 C ATOM 793 CD1 ILE A 49 8.539 3.688 4.510 1.00 33.54 C ATOM 0 H ILE A 49 6.083 5.113 1.835 1.00 4.15 H new ATOM 0 HA ILE A 49 6.395 2.462 0.998 1.00 22.35 H new ATOM 0 HB ILE A 49 8.446 2.425 2.167 1.00 2.24 H new ATOM 0 HG12 ILE A 49 9.578 4.542 2.849 1.00 3.42 H new ATOM 0 HG13 ILE A 49 7.978 5.206 3.113 1.00 3.42 H new ATOM 0 HG21 ILE A 49 9.458 4.267 0.623 1.00 45.11 H new ATOM 0 HG22 ILE A 49 8.192 3.322 -0.198 1.00 45.11 H new ATOM 0 HG23 ILE A 49 7.819 4.937 0.451 1.00 45.11 H new ATOM 0 HD11 ILE A 49 8.955 4.413 5.210 1.00 33.54 H new ATOM 0 HD12 ILE A 49 7.514 3.452 4.798 1.00 33.54 H new ATOM 0 HD13 ILE A 49 9.140 2.779 4.530 1.00 33.54 H new ATOM 805 N LYS A 50 5.548 2.790 4.179 1.00 54.03 N ATOM 806 CA LYS A 50 5.174 1.987 5.339 1.00 10.45 C ATOM 807 C LYS A 50 3.974 1.120 4.997 1.00 65.14 C ATOM 808 O LYS A 50 3.940 -0.054 5.358 1.00 21.01 O ATOM 809 CB LYS A 50 4.916 2.892 6.554 1.00 64.21 C ATOM 810 CG LYS A 50 5.096 2.183 7.903 1.00 11.34 C ATOM 811 CD LYS A 50 6.530 1.656 8.080 1.00 30.02 C ATOM 812 CE LYS A 50 7.067 1.836 9.499 1.00 53.21 C ATOM 813 NZ LYS A 50 6.398 0.985 10.498 1.00 51.25 N1+ ATOM 0 H LYS A 50 5.430 3.796 4.299 1.00 54.03 H new ATOM 0 HA LYS A 50 5.995 1.322 5.607 1.00 10.45 H new ATOM 0 HB2 LYS A 50 5.592 3.746 6.510 1.00 64.21 H new ATOM 0 HB3 LYS A 50 3.901 3.286 6.493 1.00 64.21 H new ATOM 0 HG2 LYS A 50 4.860 2.874 8.712 1.00 11.34 H new ATOM 0 HG3 LYS A 50 4.392 1.354 7.976 1.00 11.34 H new ATOM 0 HD2 LYS A 50 6.556 0.598 7.820 1.00 30.02 H new ATOM 0 HD3 LYS A 50 7.189 2.172 7.381 1.00 30.02 H new ATOM 0 HE2 LYS A 50 8.135 1.617 9.504 1.00 53.21 H new ATOM 0 HE3 LYS A 50 6.955 2.880 9.791 1.00 53.21 H new ATOM 0 HZ1 LYS A 50 6.812 1.159 11.436 1.00 51.25 H new ATOM 0 HZ2 LYS A 50 5.383 1.209 10.521 1.00 51.25 H new ATOM 0 HZ3 LYS A 50 6.526 -0.015 10.244 1.00 51.25 H new ATOM 827 N ILE A 51 3.008 1.680 4.264 1.00 24.51 N ATOM 828 CA ILE A 51 1.866 0.923 3.768 1.00 1.44 C ATOM 829 C ILE A 51 2.383 -0.172 2.835 1.00 1.23 C ATOM 830 O ILE A 51 2.125 -1.348 3.084 1.00 42.41 O ATOM 831 CB ILE A 51 0.837 1.825 3.053 1.00 34.42 C ATOM 832 CG1 ILE A 51 0.321 2.974 3.941 1.00 72.01 C ATOM 833 CG2 ILE A 51 -0.366 0.981 2.599 1.00 64.43 C ATOM 834 CD1 ILE A 51 -0.175 4.147 3.091 1.00 62.13 C ATOM 0 H ILE A 51 2.999 2.666 4.001 1.00 24.51 H new ATOM 0 HA ILE A 51 1.341 0.477 4.613 1.00 1.44 H new ATOM 0 HB ILE A 51 1.353 2.268 2.201 1.00 34.42 H new ATOM 0 HG12 ILE A 51 -0.488 2.612 4.575 1.00 72.01 H new ATOM 0 HG13 ILE A 51 1.118 3.312 4.603 1.00 72.01 H new ATOM 0 HG21 ILE A 51 -1.090 1.621 2.095 1.00 64.43 H new ATOM 0 HG22 ILE A 51 -0.028 0.205 1.912 1.00 64.43 H new ATOM 0 HG23 ILE A 51 -0.834 0.518 3.468 1.00 64.43 H new ATOM 0 HD11 ILE A 51 -0.533 4.943 3.743 1.00 62.13 H new ATOM 0 HD12 ILE A 51 0.643 4.522 2.476 1.00 62.13 H new ATOM 0 HD13 ILE A 51 -0.988 3.812 2.448 1.00 62.13 H new ATOM 846 N GLY A 52 3.108 0.196 1.777 1.00 60.25 N ATOM 847 CA GLY A 52 3.468 -0.716 0.701 1.00 12.12 C ATOM 848 C GLY A 52 4.429 -1.816 1.155 1.00 41.42 C ATOM 849 O GLY A 52 4.395 -2.927 0.620 1.00 1.12 O ATOM 0 H GLY A 52 3.462 1.144 1.646 1.00 60.25 H new ATOM 0 HA2 GLY A 52 2.563 -1.173 0.300 1.00 12.12 H new ATOM 0 HA3 GLY A 52 3.927 -0.151 -0.110 1.00 12.12 H new ATOM 853 N ASP A 53 5.267 -1.539 2.147 1.00 15.43 N ATOM 854 CA ASP A 53 6.199 -2.485 2.742 1.00 23.03 C ATOM 855 C ASP A 53 5.453 -3.412 3.694 1.00 4.51 C ATOM 856 O ASP A 53 5.666 -4.619 3.624 1.00 64.45 O ATOM 857 CB ASP A 53 7.336 -1.745 3.458 1.00 51.04 C ATOM 858 CG ASP A 53 8.572 -2.610 3.730 1.00 41.21 C ATOM 859 OD1 ASP A 53 8.781 -3.644 3.048 1.00 74.02 O1- ATOM 860 OD2 ASP A 53 9.454 -2.137 4.487 1.00 2.34 O ATOM 0 H ASP A 53 5.317 -0.614 2.574 1.00 15.43 H new ATOM 0 HA ASP A 53 6.648 -3.090 1.954 1.00 23.03 H new ATOM 0 HB2 ASP A 53 7.632 -0.886 2.856 1.00 51.04 H new ATOM 0 HB3 ASP A 53 6.962 -1.356 4.405 1.00 51.04 H new ATOM 865 N HIS A 54 4.497 -2.902 4.491 1.00 4.14 N ATOM 866 CA HIS A 54 3.655 -3.790 5.291 1.00 61.14 C ATOM 867 C HIS A 54 2.777 -4.669 4.390 1.00 71.00 C ATOM 868 O HIS A 54 2.638 -5.857 4.655 1.00 13.33 O ATOM 869 CB HIS A 54 2.804 -3.024 6.310 1.00 31.12 C ATOM 870 CG HIS A 54 2.374 -3.906 7.458 1.00 71.42 C ATOM 871 ND1 HIS A 54 3.191 -4.326 8.484 1.00 41.41 N ATOM 872 CD2 HIS A 54 1.141 -4.475 7.654 1.00 41.53 C ATOM 873 CE1 HIS A 54 2.469 -5.120 9.286 1.00 33.05 C ATOM 874 NE2 HIS A 54 1.210 -5.234 8.828 1.00 52.53 N ATOM 0 H HIS A 54 4.296 -1.907 4.593 1.00 4.14 H new ATOM 0 HA HIS A 54 4.323 -4.437 5.860 1.00 61.14 H new ATOM 0 HB2 HIS A 54 3.373 -2.178 6.695 1.00 31.12 H new ATOM 0 HB3 HIS A 54 1.923 -2.617 5.815 1.00 31.12 H new ATOM 0 HD2 HIS A 54 0.275 -4.359 7.019 1.00 41.53 H new ATOM 0 HE1 HIS A 54 2.846 -5.601 10.176 1.00 33.05 H new ATOM 0 HE2 HIS A 54 0.453 -5.769 9.253 1.00 52.53 H new ATOM 882 N ILE A 55 2.242 -4.133 3.286 1.00 14.30 N ATOM 883 CA ILE A 55 1.599 -4.921 2.240 1.00 11.25 C ATOM 884 C ILE A 55 2.560 -6.030 1.806 1.00 40.53 C ATOM 885 O ILE A 55 2.164 -7.196 1.802 1.00 21.05 O ATOM 886 CB ILE A 55 1.112 -4.039 1.064 1.00 51.10 C ATOM 887 CG1 ILE A 55 -0.088 -3.147 1.454 1.00 44.42 C ATOM 888 CG2 ILE A 55 0.720 -4.868 -0.174 1.00 13.04 C ATOM 889 CD1 ILE A 55 -0.532 -2.186 0.340 1.00 63.25 C ATOM 0 H ILE A 55 2.246 -3.131 3.097 1.00 14.30 H new ATOM 0 HA ILE A 55 0.693 -5.383 2.632 1.00 11.25 H new ATOM 0 HB ILE A 55 1.965 -3.407 0.816 1.00 51.10 H new ATOM 0 HG12 ILE A 55 -0.929 -3.784 1.728 1.00 44.42 H new ATOM 0 HG13 ILE A 55 0.174 -2.567 2.339 1.00 44.42 H new ATOM 0 HG21 ILE A 55 0.386 -4.200 -0.968 1.00 13.04 H new ATOM 0 HG22 ILE A 55 1.583 -5.438 -0.518 1.00 13.04 H new ATOM 0 HG23 ILE A 55 -0.087 -5.553 0.087 1.00 13.04 H new ATOM 0 HD11 ILE A 55 -1.378 -1.593 0.687 1.00 63.25 H new ATOM 0 HD12 ILE A 55 0.294 -1.523 0.081 1.00 63.25 H new ATOM 0 HD13 ILE A 55 -0.827 -2.759 -0.539 1.00 63.25 H new ATOM 901 N THR A 56 3.793 -5.669 1.432 1.00 5.22 N ATOM 902 CA THR A 56 4.784 -6.626 0.963 1.00 13.14 C ATOM 903 C THR A 56 4.949 -7.755 1.983 1.00 44.41 C ATOM 904 O THR A 56 4.880 -8.928 1.603 1.00 3.10 O ATOM 905 CB THR A 56 6.118 -5.919 0.659 1.00 23.42 C ATOM 906 OG1 THR A 56 5.926 -4.882 -0.289 1.00 70.12 O ATOM 907 CG2 THR A 56 7.124 -6.898 0.059 1.00 44.22 C ATOM 0 H THR A 56 4.125 -4.705 1.448 1.00 5.22 H new ATOM 0 HA THR A 56 4.439 -7.073 0.031 1.00 13.14 H new ATOM 0 HB THR A 56 6.491 -5.517 1.601 1.00 23.42 H new ATOM 0 HG1 THR A 56 5.640 -4.066 0.172 1.00 70.12 H new ATOM 0 HG21 THR A 56 8.059 -6.378 -0.148 1.00 44.22 H new ATOM 0 HG22 THR A 56 7.308 -7.708 0.764 1.00 44.22 H new ATOM 0 HG23 THR A 56 6.724 -7.308 -0.868 1.00 44.22 H new ATOM 915 N GLU A 57 5.149 -7.419 3.257 1.00 33.02 N ATOM 916 CA GLU A 57 5.464 -8.408 4.275 1.00 24.11 C ATOM 917 C GLU A 57 4.250 -9.282 4.600 1.00 32.24 C ATOM 918 O GLU A 57 4.366 -10.502 4.693 1.00 3.40 O ATOM 919 CB GLU A 57 6.243 -7.780 5.441 1.00 61.11 C ATOM 920 CG GLU A 57 5.377 -7.136 6.505 1.00 73.54 C ATOM 921 CD GLU A 57 5.385 -7.935 7.811 1.00 61.31 C ATOM 922 OE1 GLU A 57 4.808 -9.045 7.852 1.00 1.40 O ATOM 923 OE2 GLU A 57 5.949 -7.439 8.811 1.00 10.24 O1- ATOM 0 H GLU A 57 5.097 -6.462 3.605 1.00 33.02 H new ATOM 0 HA GLU A 57 6.175 -9.140 3.892 1.00 24.11 H new ATOM 0 HB2 GLU A 57 6.856 -8.551 5.908 1.00 61.11 H new ATOM 0 HB3 GLU A 57 6.925 -7.029 5.042 1.00 61.11 H new ATOM 0 HG2 GLU A 57 5.732 -6.123 6.697 1.00 73.54 H new ATOM 0 HG3 GLU A 57 4.354 -7.051 6.138 1.00 73.54 H new ATOM 930 N CYS A 58 3.063 -8.687 4.597 1.00 11.34 N ATOM 931 CA CYS A 58 1.797 -9.398 4.662 1.00 0.31 C ATOM 932 C CYS A 58 1.704 -10.465 3.572 1.00 73.23 C ATOM 933 O CYS A 58 1.199 -11.558 3.819 1.00 13.34 O ATOM 934 CB CYS A 58 0.644 -8.410 4.480 1.00 31.54 C ATOM 935 SG CYS A 58 0.269 -7.526 6.013 1.00 43.24 S ATOM 0 H CYS A 58 2.954 -7.674 4.548 1.00 11.34 H new ATOM 0 HA CYS A 58 1.735 -9.883 5.636 1.00 0.31 H new ATOM 0 HB2 CYS A 58 0.900 -7.693 3.700 1.00 31.54 H new ATOM 0 HB3 CYS A 58 -0.244 -8.945 4.143 1.00 31.54 H new ATOM 0 HG CYS A 58 -0.193 -6.344 5.731 1.00 43.24 H new ATOM 941 N LEU A 59 2.128 -10.142 2.352 1.00 64.12 N ATOM 942 CA LEU A 59 2.081 -11.059 1.225 1.00 53.20 C ATOM 943 C LEU A 59 3.229 -12.057 1.256 1.00 72.32 C ATOM 944 O LEU A 59 3.020 -13.121 0.686 1.00 72.00 O ATOM 945 CB LEU A 59 2.096 -10.352 -0.140 1.00 14.43 C ATOM 946 CG LEU A 59 0.880 -9.521 -0.593 1.00 53.24 C ATOM 947 CD1 LEU A 59 -0.230 -9.347 0.438 1.00 71.42 C ATOM 948 CD2 LEU A 59 1.337 -8.173 -1.155 1.00 3.53 C ATOM 0 H LEU A 59 2.516 -9.228 2.120 1.00 64.12 H new ATOM 0 HA LEU A 59 1.129 -11.578 1.335 1.00 53.20 H new ATOM 0 HB2 LEU A 59 2.963 -9.691 -0.153 1.00 14.43 H new ATOM 0 HB3 LEU A 59 2.267 -11.116 -0.898 1.00 14.43 H new ATOM 0 HG LEU A 59 0.411 -10.114 -1.378 1.00 53.24 H new ATOM 0 HD11 LEU A 59 -1.033 -8.746 0.010 1.00 71.42 H new ATOM 0 HD12 LEU A 59 -0.620 -10.325 0.722 1.00 71.42 H new ATOM 0 HD13 LEU A 59 0.168 -8.845 1.320 1.00 71.42 H new ATOM 0 HD21 LEU A 59 0.467 -7.597 -1.471 1.00 3.53 H new ATOM 0 HD22 LEU A 59 1.877 -7.622 -0.385 1.00 3.53 H new ATOM 0 HD23 LEU A 59 1.993 -8.339 -2.010 1.00 3.53 H new ATOM 960 N LYS A 60 4.418 -11.792 1.831 1.00 42.43 N ATOM 961 CA LYS A 60 5.421 -12.861 1.922 1.00 35.12 C ATOM 962 C LYS A 60 5.036 -13.888 2.989 1.00 40.54 C ATOM 963 O LYS A 60 5.687 -14.927 3.069 1.00 41.41 O ATOM 964 CB LYS A 60 6.832 -12.290 2.134 1.00 54.12 C ATOM 965 CG LYS A 60 7.214 -12.055 3.607 1.00 34.15 C ATOM 966 CD LYS A 60 8.042 -10.789 3.827 1.00 11.14 C ATOM 967 CE LYS A 60 9.555 -11.001 3.924 1.00 52.11 C ATOM 968 NZ LYS A 60 10.178 -11.252 2.612 1.00 72.35 N1+ ATOM 0 H LYS A 60 4.696 -10.892 2.221 1.00 42.43 H new ATOM 0 HA LYS A 60 5.441 -13.389 0.969 1.00 35.12 H new ATOM 0 HB2 LYS A 60 7.556 -12.972 1.689 1.00 54.12 H new ATOM 0 HB3 LYS A 60 6.912 -11.345 1.596 1.00 54.12 H new ATOM 0 HG2 LYS A 60 6.305 -11.993 4.205 1.00 34.15 H new ATOM 0 HG3 LYS A 60 7.776 -12.915 3.970 1.00 34.15 H new ATOM 0 HD2 LYS A 60 7.841 -10.097 3.009 1.00 11.14 H new ATOM 0 HD3 LYS A 60 7.701 -10.307 4.743 1.00 11.14 H new ATOM 0 HE2 LYS A 60 10.013 -10.122 4.377 1.00 52.11 H new ATOM 0 HE3 LYS A 60 9.758 -11.843 4.586 1.00 52.11 H new ATOM 0 HZ1 LYS A 60 11.202 -11.389 2.734 1.00 72.35 H new ATOM 0 HZ2 LYS A 60 9.763 -12.106 2.188 1.00 72.35 H new ATOM 0 HZ3 LYS A 60 10.010 -10.438 1.986 1.00 72.35 H new ATOM 982 N GLU A 61 4.012 -13.608 3.805 1.00 54.21 N ATOM 983 CA GLU A 61 3.535 -14.529 4.816 1.00 54.40 C ATOM 984 C GLU A 61 3.055 -15.811 4.129 1.00 62.01 C ATOM 985 O GLU A 61 3.412 -16.913 4.556 1.00 3.42 O ATOM 986 CB GLU A 61 2.429 -13.849 5.641 1.00 64.41 C ATOM 987 CG GLU A 61 2.274 -14.536 7.006 1.00 21.14 C ATOM 988 CD GLU A 61 1.161 -13.953 7.891 1.00 34.24 C ATOM 989 OE1 GLU A 61 0.398 -13.081 7.421 1.00 63.12 O1- ATOM 990 OE2 GLU A 61 0.959 -14.396 9.048 1.00 3.14 O ATOM 0 H GLU A 61 3.496 -12.729 3.773 1.00 54.21 H new ATOM 0 HA GLU A 61 4.332 -14.802 5.508 1.00 54.40 H new ATOM 0 HB2 GLU A 61 2.669 -12.795 5.783 1.00 64.41 H new ATOM 0 HB3 GLU A 61 1.485 -13.890 5.098 1.00 64.41 H new ATOM 0 HG2 GLU A 61 2.075 -15.595 6.845 1.00 21.14 H new ATOM 0 HG3 GLU A 61 3.220 -14.468 7.542 1.00 21.14 H new ATOM 997 N TYR A 62 2.282 -15.668 3.048 1.00 60.23 N ATOM 998 CA TYR A 62 1.738 -16.810 2.317 1.00 13.04 C ATOM 999 C TYR A 62 2.830 -17.482 1.484 1.00 13.02 C ATOM 1000 O TYR A 62 3.800 -16.831 1.084 1.00 51.53 O ATOM 1001 CB TYR A 62 0.601 -16.392 1.380 1.00 44.44 C ATOM 1002 CG TYR A 62 -0.369 -15.415 1.989 1.00 71.50 C ATOM 1003 CD1 TYR A 62 -1.271 -15.897 2.948 1.00 21.24 C ATOM 1004 CD2 TYR A 62 -0.331 -14.045 1.662 1.00 33.43 C ATOM 1005 CE1 TYR A 62 -2.172 -15.028 3.568 1.00 62.34 C ATOM 1006 CE2 TYR A 62 -1.199 -13.159 2.329 1.00 41.42 C ATOM 1007 CZ TYR A 62 -2.132 -13.649 3.274 1.00 11.34 C ATOM 1008 OH TYR A 62 -2.936 -12.797 3.966 1.00 10.34 O ATOM 0 H TYR A 62 2.019 -14.762 2.659 1.00 60.23 H new ATOM 0 HA TYR A 62 1.349 -17.506 3.060 1.00 13.04 H new ATOM 0 HB2 TYR A 62 1.030 -15.949 0.481 1.00 44.44 H new ATOM 0 HB3 TYR A 62 0.056 -17.283 1.068 1.00 44.44 H new ATOM 0 HD1 TYR A 62 -1.269 -16.945 3.209 1.00 21.24 H new ATOM 0 HD2 TYR A 62 0.354 -13.680 0.911 1.00 33.43 H new ATOM 0 HE1 TYR A 62 -2.897 -15.411 4.271 1.00 62.34 H new ATOM 0 HE2 TYR A 62 -1.153 -12.101 2.119 1.00 41.42 H new ATOM 0 HH TYR A 62 -2.792 -11.881 3.649 1.00 10.34 H new ATOM 1018 N THR A 63 2.606 -18.745 1.115 1.00 43.11 N ATOM 1019 CA THR A 63 3.536 -19.506 0.284 1.00 35.33 C ATOM 1020 C THR A 63 2.971 -19.836 -1.093 1.00 12.01 C ATOM 1021 O THR A 63 3.733 -19.862 -2.062 1.00 41.13 O ATOM 1022 CB THR A 63 3.928 -20.794 1.014 1.00 2.33 C ATOM 1023 OG1 THR A 63 2.785 -21.546 1.376 1.00 32.45 O ATOM 1024 CG2 THR A 63 4.728 -20.486 2.266 1.00 31.03 C ATOM 0 H THR A 63 1.773 -19.268 1.385 1.00 43.11 H new ATOM 0 HA THR A 63 4.413 -18.880 0.118 1.00 35.33 H new ATOM 0 HB THR A 63 4.539 -21.378 0.326 1.00 2.33 H new ATOM 0 HG1 THR A 63 3.064 -22.363 1.839 1.00 32.45 H new ATOM 0 HG21 THR A 63 4.994 -21.417 2.766 1.00 31.03 H new ATOM 0 HG22 THR A 63 5.636 -19.948 1.994 1.00 31.03 H new ATOM 0 HG23 THR A 63 4.129 -19.871 2.938 1.00 31.03 H new ATOM 1032 N ASN A 64 1.672 -20.144 -1.185 1.00 22.12 N ATOM 1033 CA ASN A 64 1.094 -20.594 -2.445 1.00 20.34 C ATOM 1034 C ASN A 64 1.123 -19.450 -3.446 1.00 62.22 C ATOM 1035 O ASN A 64 0.855 -18.308 -3.060 1.00 24.00 O ATOM 1036 CB ASN A 64 -0.348 -21.093 -2.273 1.00 73.21 C ATOM 1037 CG ASN A 64 -0.334 -22.573 -1.960 1.00 21.22 C ATOM 1038 OD1 ASN A 64 -0.152 -22.951 -0.808 1.00 61.02 O ATOM 1039 ND2 ASN A 64 -0.443 -23.415 -2.967 1.00 53.22 N ATOM 0 H ASN A 64 1.012 -20.089 -0.409 1.00 22.12 H new ATOM 0 HA ASN A 64 1.690 -21.432 -2.807 1.00 20.34 H new ATOM 0 HB2 ASN A 64 -0.841 -20.545 -1.470 1.00 73.21 H new ATOM 0 HB3 ASN A 64 -0.919 -20.908 -3.183 1.00 73.21 H new ATOM 0 HD21 ASN A 64 -0.376 -24.419 -2.802 1.00 53.22 H new ATOM 0 HD22 ASN A 64 -0.594 -23.063 -3.912 1.00 53.22 H new ATOM 1046 N PRO A 65 1.344 -19.748 -4.738 1.00 2.25 N ATOM 1047 CA PRO A 65 1.402 -18.735 -5.775 1.00 15.53 C ATOM 1048 C PRO A 65 0.048 -18.041 -5.885 1.00 14.03 C ATOM 1049 O PRO A 65 -0.005 -16.826 -6.011 1.00 64.50 O ATOM 1050 CB PRO A 65 1.813 -19.475 -7.049 1.00 31.12 C ATOM 1051 CG PRO A 65 1.365 -20.914 -6.812 1.00 31.01 C ATOM 1052 CD PRO A 65 1.549 -21.071 -5.307 1.00 54.11 C ATOM 0 HA PRO A 65 2.121 -17.942 -5.568 1.00 15.53 H new ATOM 0 HB2 PRO A 65 1.332 -19.049 -7.929 1.00 31.12 H new ATOM 0 HB3 PRO A 65 2.889 -19.416 -7.214 1.00 31.12 H new ATOM 0 HG2 PRO A 65 0.329 -21.072 -7.113 1.00 31.01 H new ATOM 0 HG3 PRO A 65 1.972 -21.626 -7.372 1.00 31.01 H new ATOM 0 HD2 PRO A 65 0.835 -21.786 -4.899 1.00 54.11 H new ATOM 0 HD3 PRO A 65 2.545 -21.446 -5.073 1.00 54.11 H new ATOM 1060 N GLU A 66 -1.042 -18.795 -5.755 1.00 13.54 N ATOM 1061 CA GLU A 66 -2.410 -18.298 -5.789 1.00 32.01 C ATOM 1062 C GLU A 66 -2.591 -17.174 -4.775 1.00 34.31 C ATOM 1063 O GLU A 66 -2.993 -16.072 -5.146 1.00 2.21 O ATOM 1064 CB GLU A 66 -3.372 -19.455 -5.471 1.00 33.45 C ATOM 1065 CG GLU A 66 -3.229 -20.630 -6.436 1.00 24.12 C ATOM 1066 CD GLU A 66 -3.887 -20.396 -7.789 1.00 62.35 C ATOM 1067 OE1 GLU A 66 -3.486 -19.466 -8.520 1.00 0.13 O ATOM 1068 OE2 GLU A 66 -4.758 -21.237 -8.137 1.00 45.54 O1- ATOM 0 H GLU A 66 -0.992 -19.805 -5.618 1.00 13.54 H new ATOM 0 HA GLU A 66 -2.627 -17.903 -6.781 1.00 32.01 H new ATOM 0 HB2 GLU A 66 -3.190 -19.803 -4.454 1.00 33.45 H new ATOM 0 HB3 GLU A 66 -4.398 -19.087 -5.504 1.00 33.45 H new ATOM 0 HG2 GLU A 66 -2.170 -20.836 -6.588 1.00 24.12 H new ATOM 0 HG3 GLU A 66 -3.665 -21.519 -5.979 1.00 24.12 H new ATOM 1075 N GLN A 67 -2.246 -17.461 -3.516 1.00 33.41 N ATOM 1076 CA GLN A 67 -2.372 -16.568 -2.383 1.00 44.41 C ATOM 1077 C GLN A 67 -1.481 -15.352 -2.581 1.00 71.14 C ATOM 1078 O GLN A 67 -1.977 -14.230 -2.550 1.00 63.51 O ATOM 1079 CB GLN A 67 -1.972 -17.314 -1.105 1.00 53.35 C ATOM 1080 CG GLN A 67 -3.165 -17.660 -0.214 1.00 13.40 C ATOM 1081 CD GLN A 67 -2.809 -18.803 0.730 1.00 75.21 C ATOM 1082 OE1 GLN A 67 -2.504 -19.916 0.297 1.00 50.45 O ATOM 1083 NE2 GLN A 67 -2.816 -18.566 2.023 1.00 3.24 N ATOM 0 H GLN A 67 -1.854 -18.367 -3.258 1.00 33.41 H new ATOM 0 HA GLN A 67 -3.405 -16.232 -2.296 1.00 44.41 H new ATOM 0 HB2 GLN A 67 -1.450 -18.232 -1.376 1.00 53.35 H new ATOM 0 HB3 GLN A 67 -1.269 -16.702 -0.539 1.00 53.35 H new ATOM 0 HG2 GLN A 67 -3.463 -16.784 0.362 1.00 13.40 H new ATOM 0 HG3 GLN A 67 -4.018 -17.942 -0.831 1.00 13.40 H new ATOM 0 HE21 GLN A 67 -3.070 -17.641 2.371 1.00 3.24 H new ATOM 0 HE22 GLN A 67 -2.567 -19.307 2.679 1.00 3.24 H new ATOM 1092 N ILE A 68 -0.168 -15.537 -2.748 1.00 1.22 N ATOM 1093 CA ILE A 68 0.741 -14.401 -2.837 1.00 12.50 C ATOM 1094 C ILE A 68 0.322 -13.505 -4.009 1.00 71.12 C ATOM 1095 O ILE A 68 0.324 -12.291 -3.849 1.00 55.41 O ATOM 1096 CB ILE A 68 2.231 -14.826 -2.849 1.00 33.42 C ATOM 1097 CG1 ILE A 68 2.633 -15.714 -4.026 1.00 13.11 C ATOM 1098 CG2 ILE A 68 2.596 -15.588 -1.573 1.00 13.44 C ATOM 1099 CD1 ILE A 68 3.235 -14.923 -5.188 1.00 33.44 C ATOM 0 H ILE A 68 0.280 -16.450 -2.823 1.00 1.22 H new ATOM 0 HA ILE A 68 0.658 -13.802 -1.930 1.00 12.50 H new ATOM 0 HB ILE A 68 2.770 -13.883 -2.933 1.00 33.42 H new ATOM 0 HG12 ILE A 68 3.355 -16.456 -3.685 1.00 13.11 H new ATOM 0 HG13 ILE A 68 1.758 -16.260 -4.379 1.00 13.11 H new ATOM 0 HG21 ILE A 68 3.647 -15.874 -1.608 1.00 13.44 H new ATOM 0 HG22 ILE A 68 2.422 -14.950 -0.706 1.00 13.44 H new ATOM 0 HG23 ILE A 68 1.979 -16.483 -1.495 1.00 13.44 H new ATOM 0 HD11 ILE A 68 3.501 -15.607 -5.994 1.00 33.44 H new ATOM 0 HD12 ILE A 68 2.506 -14.199 -5.552 1.00 33.44 H new ATOM 0 HD13 ILE A 68 4.128 -14.399 -4.847 1.00 33.44 H new ATOM 1111 N LYS A 69 -0.108 -14.056 -5.153 1.00 64.12 N ATOM 1112 CA LYS A 69 -0.570 -13.275 -6.304 1.00 12.30 C ATOM 1113 C LYS A 69 -1.885 -12.562 -5.994 1.00 53.31 C ATOM 1114 O LYS A 69 -2.007 -11.372 -6.295 1.00 62.25 O ATOM 1115 CB LYS A 69 -0.750 -14.185 -7.528 1.00 34.45 C ATOM 1116 CG LYS A 69 0.546 -14.808 -8.068 1.00 41.45 C ATOM 1117 CD LYS A 69 1.314 -13.938 -9.066 1.00 30.22 C ATOM 1118 CE LYS A 69 2.391 -14.847 -9.670 1.00 41.34 C ATOM 1119 NZ LYS A 69 3.074 -14.254 -10.832 1.00 65.32 N1+ ATOM 0 H LYS A 69 -0.144 -15.064 -5.304 1.00 64.12 H new ATOM 0 HA LYS A 69 0.187 -12.522 -6.523 1.00 12.30 H new ATOM 0 HB2 LYS A 69 -1.440 -14.987 -7.267 1.00 34.45 H new ATOM 0 HB3 LYS A 69 -1.218 -13.608 -8.326 1.00 34.45 H new ATOM 0 HG2 LYS A 69 1.201 -15.034 -7.227 1.00 41.45 H new ATOM 0 HG3 LYS A 69 0.303 -15.757 -8.547 1.00 41.45 H new ATOM 0 HD2 LYS A 69 0.650 -13.551 -9.839 1.00 30.22 H new ATOM 0 HD3 LYS A 69 1.762 -13.077 -8.570 1.00 30.22 H new ATOM 0 HE2 LYS A 69 3.130 -15.080 -8.904 1.00 41.34 H new ATOM 0 HE3 LYS A 69 1.934 -15.790 -9.969 1.00 41.34 H new ATOM 0 HZ1 LYS A 69 3.788 -14.919 -11.191 1.00 65.32 H new ATOM 0 HZ2 LYS A 69 2.379 -14.056 -11.579 1.00 65.32 H new ATOM 0 HZ3 LYS A 69 3.538 -13.368 -10.547 1.00 65.32 H new ATOM 1133 N GLN A 70 -2.876 -13.261 -5.439 1.00 15.42 N ATOM 1134 CA GLN A 70 -4.185 -12.677 -5.184 1.00 72.22 C ATOM 1135 C GLN A 70 -4.062 -11.599 -4.113 1.00 73.44 C ATOM 1136 O GLN A 70 -4.553 -10.491 -4.317 1.00 2.02 O ATOM 1137 CB GLN A 70 -5.179 -13.761 -4.756 1.00 55.12 C ATOM 1138 CG GLN A 70 -6.625 -13.267 -4.645 1.00 63.14 C ATOM 1139 CD GLN A 70 -7.253 -12.779 -5.954 1.00 25.15 C ATOM 1140 OE1 GLN A 70 -7.243 -13.458 -6.974 1.00 54.22 O ATOM 1141 NE2 GLN A 70 -7.827 -11.584 -5.968 1.00 61.54 N ATOM 0 H GLN A 70 -2.792 -14.238 -5.158 1.00 15.42 H new ATOM 0 HA GLN A 70 -4.561 -12.221 -6.100 1.00 72.22 H new ATOM 0 HB2 GLN A 70 -5.139 -14.581 -5.473 1.00 55.12 H new ATOM 0 HB3 GLN A 70 -4.868 -14.165 -3.793 1.00 55.12 H new ATOM 0 HG2 GLN A 70 -7.238 -14.075 -4.247 1.00 63.14 H new ATOM 0 HG3 GLN A 70 -6.659 -12.454 -3.920 1.00 63.14 H new ATOM 0 HE21 GLN A 70 -7.839 -11.014 -5.122 1.00 61.54 H new ATOM 0 HE22 GLN A 70 -8.257 -11.235 -6.824 1.00 61.54 H new ATOM 1150 N TRP A 71 -3.411 -11.875 -2.981 1.00 63.41 N ATOM 1151 CA TRP A 71 -3.238 -10.906 -1.924 1.00 1.41 C ATOM 1152 C TRP A 71 -2.394 -9.729 -2.423 1.00 43.13 C ATOM 1153 O TRP A 71 -2.718 -8.593 -2.069 1.00 3.23 O ATOM 1154 CB TRP A 71 -2.699 -11.568 -0.658 1.00 34.40 C ATOM 1155 CG TRP A 71 -3.666 -12.492 0.015 1.00 43.52 C ATOM 1156 CD1 TRP A 71 -3.516 -13.821 0.199 1.00 51.30 C ATOM 1157 CD2 TRP A 71 -4.930 -12.150 0.654 1.00 15.24 C ATOM 1158 NE1 TRP A 71 -4.601 -14.321 0.888 1.00 63.04 N ATOM 1159 CE2 TRP A 71 -5.530 -13.343 1.149 1.00 61.24 C ATOM 1160 CE3 TRP A 71 -5.631 -10.946 0.865 1.00 64.35 C ATOM 1161 CZ2 TRP A 71 -6.791 -13.351 1.759 1.00 11.21 C ATOM 1162 CZ3 TRP A 71 -6.889 -10.934 1.491 1.00 70.25 C ATOM 1163 CH2 TRP A 71 -7.477 -12.137 1.921 1.00 10.30 C ATOM 0 H TRP A 71 -2.992 -12.783 -2.782 1.00 63.41 H new ATOM 0 HA TRP A 71 -4.206 -10.491 -1.642 1.00 1.41 H new ATOM 0 HB2 TRP A 71 -1.797 -12.126 -0.910 1.00 34.40 H new ATOM 0 HB3 TRP A 71 -2.406 -10.791 0.048 1.00 34.40 H new ATOM 0 HD1 TRP A 71 -2.674 -14.404 -0.142 1.00 51.30 H new ATOM 0 HE1 TRP A 71 -4.701 -15.296 1.169 1.00 63.04 H new ATOM 0 HE3 TRP A 71 -5.193 -10.014 0.539 1.00 64.35 H new ATOM 0 HZ2 TRP A 71 -7.229 -14.278 2.100 1.00 11.21 H new ATOM 0 HZ3 TRP A 71 -7.406 -9.998 1.642 1.00 70.25 H new ATOM 0 HH2 TRP A 71 -8.456 -12.127 2.376 1.00 10.30 H new ATOM 1174 N ARG A 72 -1.417 -9.970 -3.322 1.00 1.43 N ATOM 1175 CA ARG A 72 -0.641 -8.915 -3.992 1.00 44.24 C ATOM 1176 C ARG A 72 -1.537 -7.919 -4.724 1.00 25.40 C ATOM 1177 O ARG A 72 -1.083 -6.806 -4.984 1.00 72.43 O ATOM 1178 CB ARG A 72 0.406 -9.464 -4.988 1.00 20.22 C ATOM 1179 CG ARG A 72 1.811 -9.709 -4.413 1.00 24.51 C ATOM 1180 CD ARG A 72 2.625 -10.531 -5.418 1.00 4.10 C ATOM 1181 NE ARG A 72 4.013 -10.774 -4.980 1.00 14.41 N ATOM 1182 CZ ARG A 72 5.025 -11.086 -5.804 1.00 35.32 C ATOM 1183 NH1 ARG A 72 4.915 -10.919 -7.122 1.00 54.04 N1+ ATOM 1184 NH2 ARG A 72 6.146 -11.580 -5.300 1.00 74.24 N ATOM 0 H ARG A 72 -1.145 -10.912 -3.603 1.00 1.43 H new ATOM 0 HA ARG A 72 -0.113 -8.408 -3.185 1.00 44.24 H new ATOM 0 HB2 ARG A 72 0.033 -10.402 -5.398 1.00 20.22 H new ATOM 0 HB3 ARG A 72 0.491 -8.764 -5.819 1.00 20.22 H new ATOM 0 HG2 ARG A 72 2.307 -8.759 -4.214 1.00 24.51 H new ATOM 0 HG3 ARG A 72 1.742 -10.238 -3.462 1.00 24.51 H new ATOM 0 HD2 ARG A 72 2.129 -11.488 -5.581 1.00 4.10 H new ATOM 0 HD3 ARG A 72 2.639 -10.012 -6.376 1.00 4.10 H new ATOM 0 HE ARG A 72 4.217 -10.700 -3.983 1.00 14.41 H new ATOM 0 HH11 ARG A 72 4.051 -10.549 -7.519 1.00 54.04 H new ATOM 0 HH12 ARG A 72 5.694 -11.161 -7.734 1.00 54.04 H new ATOM 0 HH21 ARG A 72 6.234 -11.720 -4.294 1.00 74.24 H new ATOM 0 HH22 ARG A 72 6.921 -11.820 -5.918 1.00 74.24 H new ATOM 1198 N LYS A 73 -2.783 -8.262 -5.061 1.00 64.24 N ATOM 1199 CA LYS A 73 -3.746 -7.310 -5.598 1.00 2.53 C ATOM 1200 C LYS A 73 -4.768 -6.910 -4.548 1.00 1.23 C ATOM 1201 O LYS A 73 -5.095 -5.727 -4.498 1.00 55.21 O ATOM 1202 CB LYS A 73 -4.416 -7.852 -6.866 1.00 34.23 C ATOM 1203 CG LYS A 73 -3.425 -7.861 -8.039 1.00 63.11 C ATOM 1204 CD LYS A 73 -4.147 -8.013 -9.381 1.00 42.23 C ATOM 1205 CE LYS A 73 -3.179 -7.890 -10.558 1.00 22.32 C ATOM 1206 NZ LYS A 73 -2.424 -9.134 -10.818 1.00 41.12 N1+ ATOM 0 H LYS A 73 -3.148 -9.210 -4.967 1.00 64.24 H new ATOM 0 HA LYS A 73 -3.202 -6.409 -5.880 1.00 2.53 H new ATOM 0 HB2 LYS A 73 -4.784 -8.862 -6.686 1.00 34.23 H new ATOM 0 HB3 LYS A 73 -5.281 -7.238 -7.118 1.00 34.23 H new ATOM 0 HG2 LYS A 73 -2.849 -6.936 -8.037 1.00 63.11 H new ATOM 0 HG3 LYS A 73 -2.716 -8.679 -7.911 1.00 63.11 H new ATOM 0 HD2 LYS A 73 -4.646 -8.982 -9.419 1.00 42.23 H new ATOM 0 HD3 LYS A 73 -4.923 -7.252 -9.466 1.00 42.23 H new ATOM 0 HE2 LYS A 73 -3.737 -7.617 -11.453 1.00 22.32 H new ATOM 0 HE3 LYS A 73 -2.477 -7.080 -10.361 1.00 22.32 H new ATOM 0 HZ1 LYS A 73 -1.785 -8.990 -11.626 1.00 41.12 H new ATOM 0 HZ2 LYS A 73 -1.867 -9.384 -9.976 1.00 41.12 H new ATOM 0 HZ3 LYS A 73 -3.088 -9.904 -11.035 1.00 41.12 H new ATOM 1220 N ASN A 74 -5.272 -7.838 -3.726 1.00 53.23 N ATOM 1221 CA ASN A 74 -6.325 -7.581 -2.746 1.00 31.13 C ATOM 1222 C ASN A 74 -5.953 -6.420 -1.833 1.00 50.53 C ATOM 1223 O ASN A 74 -6.786 -5.545 -1.608 1.00 74.44 O ATOM 1224 CB ASN A 74 -6.595 -8.797 -1.843 1.00 21.11 C ATOM 1225 CG ASN A 74 -7.299 -9.977 -2.495 1.00 15.34 C ATOM 1226 OD1 ASN A 74 -7.878 -9.869 -3.571 1.00 63.22 O ATOM 1227 ND2 ASN A 74 -7.315 -11.130 -1.846 1.00 4.44 N ATOM 0 H ASN A 74 -4.951 -8.806 -3.726 1.00 53.23 H new ATOM 0 HA ASN A 74 -7.217 -7.350 -3.329 1.00 31.13 H new ATOM 0 HB2 ASN A 74 -5.642 -9.145 -1.444 1.00 21.11 H new ATOM 0 HB3 ASN A 74 -7.195 -8.467 -0.995 1.00 21.11 H new ATOM 0 HD21 ASN A 74 -7.809 -11.930 -2.240 1.00 4.44 H new ATOM 0 HD22 ASN A 74 -6.833 -11.218 -0.951 1.00 4.44 H new ATOM 1234 N LEU A 75 -4.737 -6.432 -1.273 1.00 65.10 N ATOM 1235 CA LEU A 75 -4.331 -5.400 -0.321 1.00 4.53 C ATOM 1236 C LEU A 75 -4.226 -4.051 -1.030 1.00 24.52 C ATOM 1237 O LEU A 75 -4.766 -3.067 -0.525 1.00 41.55 O ATOM 1238 CB LEU A 75 -3.049 -5.803 0.430 1.00 10.04 C ATOM 1239 CG LEU A 75 -3.360 -6.424 1.810 1.00 13.31 C ATOM 1240 CD1 LEU A 75 -4.166 -7.726 1.705 1.00 32.35 C ATOM 1241 CD2 LEU A 75 -2.073 -6.733 2.575 1.00 54.21 C ATOM 0 H LEU A 75 -4.026 -7.139 -1.462 1.00 65.10 H new ATOM 0 HA LEU A 75 -5.096 -5.296 0.449 1.00 4.53 H new ATOM 0 HB2 LEU A 75 -2.486 -6.517 -0.171 1.00 10.04 H new ATOM 0 HB3 LEU A 75 -2.414 -4.926 0.561 1.00 10.04 H new ATOM 0 HG LEU A 75 -3.955 -5.680 2.339 1.00 13.31 H new ATOM 0 HD11 LEU A 75 -4.356 -8.118 2.704 1.00 32.35 H new ATOM 0 HD12 LEU A 75 -5.115 -7.527 1.207 1.00 32.35 H new ATOM 0 HD13 LEU A 75 -3.600 -8.459 1.129 1.00 32.35 H new ATOM 0 HD21 LEU A 75 -2.321 -7.169 3.543 1.00 54.21 H new ATOM 0 HD22 LEU A 75 -1.470 -7.438 2.003 1.00 54.21 H new ATOM 0 HD23 LEU A 75 -1.509 -5.812 2.726 1.00 54.21 H new ATOM 1253 N TRP A 76 -3.624 -4.013 -2.221 1.00 13.51 N ATOM 1254 CA TRP A 76 -3.575 -2.814 -3.047 1.00 2.42 C ATOM 1255 C TRP A 76 -4.976 -2.282 -3.364 1.00 30.11 C ATOM 1256 O TRP A 76 -5.156 -1.068 -3.368 1.00 22.05 O ATOM 1257 CB TRP A 76 -2.784 -3.067 -4.345 1.00 34.53 C ATOM 1258 CG TRP A 76 -1.301 -2.843 -4.290 1.00 52.32 C ATOM 1259 CD1 TRP A 76 -0.370 -3.645 -4.849 1.00 3.24 C ATOM 1260 CD2 TRP A 76 -0.552 -1.727 -3.716 1.00 74.43 C ATOM 1261 NE1 TRP A 76 0.891 -3.171 -4.570 1.00 61.30 N ATOM 1262 CE2 TRP A 76 0.844 -1.986 -3.867 1.00 73.42 C ATOM 1263 CE3 TRP A 76 -0.909 -0.505 -3.111 1.00 24.41 C ATOM 1264 CZ2 TRP A 76 1.826 -1.112 -3.380 1.00 54.25 C ATOM 1265 CZ3 TRP A 76 0.066 0.398 -2.655 1.00 54.41 C ATOM 1266 CH2 TRP A 76 1.430 0.086 -2.765 1.00 33.11 C ATOM 0 H TRP A 76 -3.156 -4.818 -2.637 1.00 13.51 H new ATOM 0 HA TRP A 76 -3.055 -2.049 -2.470 1.00 2.42 H new ATOM 0 HB2 TRP A 76 -2.960 -4.097 -4.655 1.00 34.53 H new ATOM 0 HB3 TRP A 76 -3.196 -2.425 -5.124 1.00 34.53 H new ATOM 0 HD1 TRP A 76 -0.584 -4.530 -5.430 1.00 3.24 H new ATOM 0 HE1 TRP A 76 1.754 -3.638 -4.849 1.00 61.30 H new ATOM 0 HE3 TRP A 76 -1.954 -0.258 -2.996 1.00 24.41 H new ATOM 0 HZ2 TRP A 76 2.873 -1.357 -3.477 1.00 54.25 H new ATOM 0 HZ3 TRP A 76 -0.236 1.338 -2.217 1.00 54.41 H new ATOM 0 HH2 TRP A 76 2.174 0.766 -2.377 1.00 33.11 H new ATOM 1277 N ILE A 77 -5.955 -3.154 -3.640 1.00 1.43 N ATOM 1278 CA ILE A 77 -7.334 -2.747 -3.910 1.00 32.02 C ATOM 1279 C ILE A 77 -7.888 -2.096 -2.647 1.00 35.11 C ATOM 1280 O ILE A 77 -8.372 -0.975 -2.712 1.00 41.01 O ATOM 1281 CB ILE A 77 -8.203 -3.944 -4.379 1.00 24.14 C ATOM 1282 CG1 ILE A 77 -7.754 -4.416 -5.775 1.00 65.31 C ATOM 1283 CG2 ILE A 77 -9.693 -3.579 -4.451 1.00 5.42 C ATOM 1284 CD1 ILE A 77 -8.219 -5.833 -6.141 1.00 32.44 C ATOM 0 H ILE A 77 -5.809 -4.163 -3.682 1.00 1.43 H new ATOM 0 HA ILE A 77 -7.356 -2.029 -4.730 1.00 32.02 H new ATOM 0 HB ILE A 77 -8.069 -4.738 -3.644 1.00 24.14 H new ATOM 0 HG12 ILE A 77 -8.133 -3.718 -6.521 1.00 65.31 H new ATOM 0 HG13 ILE A 77 -6.666 -4.378 -5.826 1.00 65.31 H new ATOM 0 HG21 ILE A 77 -10.264 -4.446 -4.784 1.00 5.42 H new ATOM 0 HG22 ILE A 77 -10.040 -3.272 -3.465 1.00 5.42 H new ATOM 0 HG23 ILE A 77 -9.833 -2.760 -5.156 1.00 5.42 H new ATOM 0 HD11 ILE A 77 -7.861 -6.087 -7.139 1.00 32.44 H new ATOM 0 HD12 ILE A 77 -7.819 -6.545 -5.419 1.00 32.44 H new ATOM 0 HD13 ILE A 77 -9.308 -5.874 -6.125 1.00 32.44 H new ATOM 1296 N PHE A 78 -7.818 -2.793 -1.512 1.00 63.05 N ATOM 1297 CA PHE A 78 -8.345 -2.303 -0.247 1.00 71.52 C ATOM 1298 C PHE A 78 -7.801 -0.916 0.082 1.00 63.24 C ATOM 1299 O PHE A 78 -8.577 -0.020 0.394 1.00 12.03 O ATOM 1300 CB PHE A 78 -8.042 -3.283 0.892 1.00 45.03 C ATOM 1301 CG PHE A 78 -8.445 -2.737 2.250 1.00 51.35 C ATOM 1302 CD1 PHE A 78 -9.804 -2.490 2.526 1.00 64.41 C ATOM 1303 CD2 PHE A 78 -7.471 -2.432 3.221 1.00 11.10 C ATOM 1304 CE1 PHE A 78 -10.190 -1.945 3.760 1.00 14.45 C ATOM 1305 CE2 PHE A 78 -7.866 -1.933 4.473 1.00 12.10 C ATOM 1306 CZ PHE A 78 -9.222 -1.693 4.745 1.00 25.55 C ATOM 0 H PHE A 78 -7.391 -3.717 -1.449 1.00 63.05 H new ATOM 0 HA PHE A 78 -9.427 -2.224 -0.353 1.00 71.52 H new ATOM 0 HB2 PHE A 78 -8.568 -4.220 0.710 1.00 45.03 H new ATOM 0 HB3 PHE A 78 -6.976 -3.511 0.897 1.00 45.03 H new ATOM 0 HD1 PHE A 78 -10.553 -2.721 1.783 1.00 64.41 H new ATOM 0 HD2 PHE A 78 -6.424 -2.581 3.003 1.00 11.10 H new ATOM 0 HE1 PHE A 78 -11.229 -1.720 3.951 1.00 14.45 H new ATOM 0 HE2 PHE A 78 -7.123 -1.733 5.230 1.00 12.10 H new ATOM 0 HZ PHE A 78 -9.520 -1.315 5.712 1.00 25.55 H new ATOM 1316 N VAL A 79 -6.483 -0.738 0.021 1.00 42.13 N ATOM 1317 CA VAL A 79 -5.849 0.541 0.302 1.00 72.11 C ATOM 1318 C VAL A 79 -6.299 1.586 -0.713 1.00 63.14 C ATOM 1319 O VAL A 79 -6.648 2.685 -0.304 1.00 61.34 O ATOM 1320 CB VAL A 79 -4.323 0.369 0.368 1.00 54.40 C ATOM 1321 CG1 VAL A 79 -3.561 1.695 0.492 1.00 35.12 C ATOM 1322 CG2 VAL A 79 -3.996 -0.501 1.587 1.00 22.13 C ATOM 0 H VAL A 79 -5.827 -1.479 -0.225 1.00 42.13 H new ATOM 0 HA VAL A 79 -6.163 0.907 1.280 1.00 72.11 H new ATOM 0 HB VAL A 79 -4.005 -0.090 -0.568 1.00 54.40 H new ATOM 0 HG11 VAL A 79 -2.490 1.497 0.533 1.00 35.12 H new ATOM 0 HG12 VAL A 79 -3.781 2.323 -0.371 1.00 35.12 H new ATOM 0 HG13 VAL A 79 -3.870 2.209 1.402 1.00 35.12 H new ATOM 0 HG21 VAL A 79 -2.917 -0.639 1.657 1.00 22.13 H new ATOM 0 HG22 VAL A 79 -4.359 -0.012 2.491 1.00 22.13 H new ATOM 0 HG23 VAL A 79 -4.480 -1.472 1.481 1.00 22.13 H new ATOM 1332 N SER A 80 -6.344 1.240 -2.000 1.00 34.12 N ATOM 1333 CA SER A 80 -6.772 2.142 -3.061 1.00 61.41 C ATOM 1334 C SER A 80 -8.181 2.718 -2.832 1.00 21.53 C ATOM 1335 O SER A 80 -8.465 3.798 -3.348 1.00 43.34 O ATOM 1336 CB SER A 80 -6.639 1.420 -4.407 1.00 54.34 C ATOM 1337 OG SER A 80 -6.944 2.258 -5.500 1.00 43.03 O ATOM 0 H SER A 80 -6.080 0.313 -2.335 1.00 34.12 H new ATOM 0 HA SER A 80 -6.120 3.015 -3.060 1.00 61.41 H new ATOM 0 HB2 SER A 80 -5.622 1.043 -4.515 1.00 54.34 H new ATOM 0 HB3 SER A 80 -7.303 0.555 -4.419 1.00 54.34 H new ATOM 0 HG SER A 80 -6.392 3.067 -5.456 1.00 43.03 H new ATOM 1343 N LYS A 81 -9.064 2.059 -2.072 1.00 14.35 N ATOM 1344 CA LYS A 81 -10.386 2.618 -1.755 1.00 53.15 C ATOM 1345 C LYS A 81 -10.248 3.854 -0.864 1.00 44.31 C ATOM 1346 O LYS A 81 -11.027 4.799 -0.983 1.00 0.54 O ATOM 1347 CB LYS A 81 -11.246 1.574 -1.037 1.00 41.41 C ATOM 1348 CG LYS A 81 -11.508 0.323 -1.883 1.00 35.41 C ATOM 1349 CD LYS A 81 -12.096 -0.788 -1.013 1.00 70.23 C ATOM 1350 CE LYS A 81 -12.184 -2.076 -1.841 1.00 21.01 C ATOM 1351 NZ LYS A 81 -13.567 -2.570 -2.001 1.00 70.41 N1+ ATOM 0 H LYS A 81 -8.889 1.140 -1.665 1.00 14.35 H new ATOM 0 HA LYS A 81 -10.866 2.903 -2.691 1.00 53.15 H new ATOM 0 HB2 LYS A 81 -10.753 1.281 -0.110 1.00 41.41 H new ATOM 0 HB3 LYS A 81 -12.199 2.025 -0.762 1.00 41.41 H new ATOM 0 HG2 LYS A 81 -12.195 0.561 -2.695 1.00 35.41 H new ATOM 0 HG3 LYS A 81 -10.579 -0.017 -2.341 1.00 35.41 H new ATOM 0 HD2 LYS A 81 -11.472 -0.948 -0.133 1.00 70.23 H new ATOM 0 HD3 LYS A 81 -13.085 -0.502 -0.655 1.00 70.23 H new ATOM 0 HE2 LYS A 81 -11.752 -1.898 -2.826 1.00 21.01 H new ATOM 0 HE3 LYS A 81 -11.582 -2.849 -1.364 1.00 21.01 H new ATOM 0 HZ1 LYS A 81 -13.561 -3.441 -2.569 1.00 70.41 H new ATOM 0 HZ2 LYS A 81 -13.975 -2.769 -1.065 1.00 70.41 H new ATOM 0 HZ3 LYS A 81 -14.140 -1.848 -2.482 1.00 70.41 H new ATOM 1365 N PHE A 82 -9.284 3.825 0.052 1.00 71.53 N ATOM 1366 CA PHE A 82 -8.935 4.892 0.980 1.00 3.11 C ATOM 1367 C PHE A 82 -7.995 5.932 0.362 1.00 61.04 C ATOM 1368 O PHE A 82 -7.216 6.533 1.096 1.00 45.15 O ATOM 1369 CB PHE A 82 -8.323 4.260 2.244 1.00 72.45 C ATOM 1370 CG PHE A 82 -9.377 3.674 3.148 1.00 40.53 C ATOM 1371 CD1 PHE A 82 -9.974 2.440 2.839 1.00 61.03 C ATOM 1372 CD2 PHE A 82 -9.852 4.437 4.226 1.00 43.53 C ATOM 1373 CE1 PHE A 82 -11.093 2.008 3.564 1.00 43.31 C ATOM 1374 CE2 PHE A 82 -10.940 3.983 4.982 1.00 11.10 C ATOM 1375 CZ PHE A 82 -11.586 2.781 4.635 1.00 61.24 C ATOM 0 H PHE A 82 -8.690 3.004 0.172 1.00 71.53 H new ATOM 0 HA PHE A 82 -9.842 5.438 1.238 1.00 3.11 H new ATOM 0 HB2 PHE A 82 -7.619 3.480 1.955 1.00 72.45 H new ATOM 0 HB3 PHE A 82 -7.756 5.015 2.789 1.00 72.45 H new ATOM 0 HD1 PHE A 82 -9.572 1.827 2.046 1.00 61.03 H new ATOM 0 HD2 PHE A 82 -9.378 5.375 4.473 1.00 43.53 H new ATOM 0 HE1 PHE A 82 -11.579 1.080 3.301 1.00 43.31 H new ATOM 0 HE2 PHE A 82 -11.284 4.555 5.831 1.00 11.10 H new ATOM 0 HZ PHE A 82 -12.455 2.453 5.186 1.00 61.24 H new ATOM 1385 N THR A 83 -7.997 6.159 -0.952 1.00 61.12 N ATOM 1386 CA THR A 83 -7.201 7.239 -1.514 1.00 12.22 C ATOM 1387 C THR A 83 -7.743 7.629 -2.893 1.00 51.24 C ATOM 1388 O THR A 83 -8.599 6.946 -3.464 1.00 21.11 O ATOM 1389 CB THR A 83 -5.710 6.832 -1.483 1.00 21.14 C ATOM 1390 OG1 THR A 83 -4.877 7.863 -1.973 1.00 14.11 O ATOM 1391 CG2 THR A 83 -5.410 5.504 -2.186 1.00 21.44 C ATOM 0 H THR A 83 -8.531 5.618 -1.632 1.00 61.12 H new ATOM 0 HA THR A 83 -7.278 8.148 -0.917 1.00 12.22 H new ATOM 0 HB THR A 83 -5.481 6.671 -0.429 1.00 21.14 H new ATOM 0 HG1 THR A 83 -4.826 8.584 -1.312 1.00 14.11 H new ATOM 0 HG21 THR A 83 -4.343 5.290 -2.120 1.00 21.44 H new ATOM 0 HG22 THR A 83 -5.971 4.703 -1.705 1.00 21.44 H new ATOM 0 HG23 THR A 83 -5.702 5.573 -3.234 1.00 21.44 H new ATOM 1399 N GLU A 84 -7.243 8.727 -3.458 1.00 33.14 N ATOM 1400 CA GLU A 84 -7.503 9.107 -4.841 1.00 74.01 C ATOM 1401 C GLU A 84 -6.693 8.247 -5.825 1.00 43.32 C ATOM 1402 O GLU A 84 -6.983 8.238 -7.028 1.00 63.43 O ATOM 1403 CB GLU A 84 -7.125 10.577 -5.055 1.00 14.25 C ATOM 1404 CG GLU A 84 -7.862 11.568 -4.144 1.00 22.52 C ATOM 1405 CD GLU A 84 -7.755 12.989 -4.699 1.00 53.53 C ATOM 1406 OE1 GLU A 84 -6.633 13.435 -5.056 1.00 15.35 O1- ATOM 1407 OE2 GLU A 84 -8.814 13.633 -4.877 1.00 3.33 O ATOM 0 H GLU A 84 -6.640 9.383 -2.961 1.00 33.14 H new ATOM 0 HA GLU A 84 -8.565 8.952 -5.030 1.00 74.01 H new ATOM 0 HB2 GLU A 84 -6.052 10.689 -4.898 1.00 14.25 H new ATOM 0 HB3 GLU A 84 -7.324 10.842 -6.093 1.00 14.25 H new ATOM 0 HG2 GLU A 84 -8.911 11.282 -4.060 1.00 22.52 H new ATOM 0 HG3 GLU A 84 -7.440 11.531 -3.140 1.00 22.52 H new ATOM 1414 N PHE A 85 -5.650 7.570 -5.336 1.00 73.53 N ATOM 1415 CA PHE A 85 -4.695 6.842 -6.147 1.00 60.43 C ATOM 1416 C PHE A 85 -5.201 5.426 -6.399 1.00 31.05 C ATOM 1417 O PHE A 85 -5.297 4.597 -5.489 1.00 71.34 O ATOM 1418 CB PHE A 85 -3.314 6.867 -5.477 1.00 20.01 C ATOM 1419 CG PHE A 85 -2.673 8.241 -5.532 1.00 53.30 C ATOM 1420 CD1 PHE A 85 -2.246 8.764 -6.769 1.00 44.43 C ATOM 1421 CD2 PHE A 85 -2.566 9.031 -4.373 1.00 1.42 C ATOM 1422 CE1 PHE A 85 -1.718 10.063 -6.846 1.00 63.20 C ATOM 1423 CE2 PHE A 85 -2.042 10.333 -4.458 1.00 70.20 C ATOM 1424 CZ PHE A 85 -1.610 10.849 -5.688 1.00 71.12 C ATOM 0 H PHE A 85 -5.449 7.518 -4.337 1.00 73.53 H new ATOM 0 HA PHE A 85 -4.588 7.322 -7.120 1.00 60.43 H new ATOM 0 HB2 PHE A 85 -3.411 6.555 -4.437 1.00 20.01 H new ATOM 0 HB3 PHE A 85 -2.662 6.144 -5.967 1.00 20.01 H new ATOM 0 HD1 PHE A 85 -2.325 8.163 -7.663 1.00 44.43 H new ATOM 0 HD2 PHE A 85 -2.886 8.638 -3.419 1.00 1.42 H new ATOM 0 HE1 PHE A 85 -1.395 10.458 -7.798 1.00 63.20 H new ATOM 0 HE2 PHE A 85 -1.972 10.941 -3.568 1.00 70.20 H new ATOM 0 HZ PHE A 85 -1.197 11.845 -5.744 1.00 71.12 H new ATOM 1434 N ASP A 86 -5.502 5.128 -7.665 1.00 63.21 N ATOM 1435 CA ASP A 86 -5.808 3.763 -8.073 1.00 42.44 C ATOM 1436 C ASP A 86 -4.626 2.859 -7.764 1.00 50.23 C ATOM 1437 O ASP A 86 -3.468 3.279 -7.801 1.00 3.02 O ATOM 1438 CB ASP A 86 -6.073 3.631 -9.571 1.00 35.42 C ATOM 1439 CG ASP A 86 -7.552 3.582 -9.884 1.00 61.50 C ATOM 1440 OD1 ASP A 86 -8.186 4.654 -9.898 1.00 23.14 O1- ATOM 1441 OD2 ASP A 86 -8.043 2.454 -10.094 1.00 54.44 O ATOM 0 H ASP A 86 -5.539 5.813 -8.420 1.00 63.21 H new ATOM 0 HA ASP A 86 -6.706 3.481 -7.524 1.00 42.44 H new ATOM 0 HB2 ASP A 86 -5.620 4.473 -10.095 1.00 35.42 H new ATOM 0 HB3 ASP A 86 -5.593 2.727 -9.945 1.00 35.42 H new ATOM 1446 N ALA A 87 -4.902 1.564 -7.662 1.00 34.50 N ATOM 1447 CA ALA A 87 -3.895 0.517 -7.503 1.00 54.34 C ATOM 1448 C ALA A 87 -2.931 0.458 -8.699 1.00 42.15 C ATOM 1449 O ALA A 87 -1.827 -0.075 -8.572 1.00 54.10 O ATOM 1450 CB ALA A 87 -4.587 -0.832 -7.300 1.00 13.05 C ATOM 0 H ALA A 87 -5.855 1.202 -7.688 1.00 34.50 H new ATOM 0 HA ALA A 87 -3.296 0.755 -6.624 1.00 54.34 H new ATOM 0 HB1 ALA A 87 -3.835 -1.612 -7.182 1.00 13.05 H new ATOM 0 HB2 ALA A 87 -5.211 -0.790 -6.407 1.00 13.05 H new ATOM 0 HB3 ALA A 87 -5.209 -1.056 -8.167 1.00 13.05 H new ATOM 1456 N ARG A 88 -3.313 1.022 -9.854 1.00 54.42 N ATOM 1457 CA ARG A 88 -2.417 1.202 -11.000 1.00 71.23 C ATOM 1458 C ARG A 88 -1.379 2.297 -10.728 1.00 35.22 C ATOM 1459 O ARG A 88 -0.229 2.147 -11.143 1.00 74.21 O ATOM 1460 CB ARG A 88 -3.226 1.449 -12.295 1.00 33.21 C ATOM 1461 CG ARG A 88 -3.994 2.788 -12.375 1.00 42.33 C ATOM 1462 CD ARG A 88 -5.459 2.659 -12.827 1.00 12.42 C ATOM 1463 NE ARG A 88 -5.586 2.147 -14.197 1.00 52.53 N ATOM 1464 CZ ARG A 88 -6.730 2.001 -14.875 1.00 51.53 C ATOM 1465 NH1 ARG A 88 -7.913 2.226 -14.311 1.00 3.04 N1+ ATOM 1466 NH2 ARG A 88 -6.676 1.606 -16.139 1.00 13.42 N ATOM 0 H ARG A 88 -4.259 1.367 -10.018 1.00 54.42 H new ATOM 0 HA ARG A 88 -1.856 0.280 -11.150 1.00 71.23 H new ATOM 0 HB2 ARG A 88 -2.542 1.395 -13.142 1.00 33.21 H new ATOM 0 HB3 ARG A 88 -3.942 0.636 -12.412 1.00 33.21 H new ATOM 0 HG2 ARG A 88 -3.970 3.265 -11.395 1.00 42.33 H new ATOM 0 HG3 ARG A 88 -3.472 3.451 -13.065 1.00 42.33 H new ATOM 0 HD2 ARG A 88 -5.988 1.994 -12.144 1.00 12.42 H new ATOM 0 HD3 ARG A 88 -5.942 3.634 -12.761 1.00 12.42 H new ATOM 0 HE ARG A 88 -4.725 1.879 -14.674 1.00 52.53 H new ATOM 0 HH11 ARG A 88 -7.965 2.519 -13.335 1.00 3.04 H new ATOM 0 HH12 ARG A 88 -8.768 2.106 -14.854 1.00 3.04 H new ATOM 0 HH21 ARG A 88 -5.774 1.420 -16.577 1.00 13.42 H new ATOM 0 HH22 ARG A 88 -7.537 1.488 -16.674 1.00 13.42 H new ATOM 1480 N LYS A 89 -1.756 3.372 -10.027 1.00 15.10 N ATOM 1481 CA LYS A 89 -0.861 4.450 -9.615 1.00 14.14 C ATOM 1482 C LYS A 89 -0.040 3.957 -8.438 1.00 2.34 C ATOM 1483 O LYS A 89 1.180 4.018 -8.497 1.00 51.34 O ATOM 1484 CB LYS A 89 -1.615 5.732 -9.187 1.00 41.42 C ATOM 1485 CG LYS A 89 -2.845 6.110 -10.017 1.00 43.13 C ATOM 1486 CD LYS A 89 -2.576 6.394 -11.492 1.00 64.32 C ATOM 1487 CE LYS A 89 -1.847 7.728 -11.713 1.00 13.54 C ATOM 1488 NZ LYS A 89 -0.388 7.599 -11.941 1.00 75.22 N1+ ATOM 0 H LYS A 89 -2.719 3.517 -9.724 1.00 15.10 H new ATOM 0 HA LYS A 89 -0.239 4.711 -10.471 1.00 14.14 H new ATOM 0 HB2 LYS A 89 -1.927 5.614 -8.149 1.00 41.42 H new ATOM 0 HB3 LYS A 89 -0.914 6.566 -9.216 1.00 41.42 H new ATOM 0 HG2 LYS A 89 -3.572 5.301 -9.947 1.00 43.13 H new ATOM 0 HG3 LYS A 89 -3.305 6.992 -9.572 1.00 43.13 H new ATOM 0 HD2 LYS A 89 -1.979 5.584 -11.911 1.00 64.32 H new ATOM 0 HD3 LYS A 89 -3.522 6.407 -12.034 1.00 64.32 H new ATOM 0 HE2 LYS A 89 -2.293 8.234 -12.569 1.00 13.54 H new ATOM 0 HE3 LYS A 89 -2.012 8.366 -10.845 1.00 13.54 H new ATOM 0 HZ1 LYS A 89 0.026 8.543 -12.081 1.00 75.22 H new ATOM 0 HZ2 LYS A 89 0.054 7.146 -11.116 1.00 75.22 H new ATOM 0 HZ3 LYS A 89 -0.219 7.018 -12.787 1.00 75.22 H new ATOM 1502 N LEU A 90 -0.703 3.485 -7.379 1.00 2.34 N ATOM 1503 CA LEU A 90 -0.113 3.290 -6.064 1.00 62.33 C ATOM 1504 C LEU A 90 1.099 2.370 -6.147 1.00 70.22 C ATOM 1505 O LEU A 90 2.175 2.732 -5.691 1.00 13.11 O ATOM 1506 CB LEU A 90 -1.165 2.760 -5.066 1.00 42.24 C ATOM 1507 CG LEU A 90 -1.432 3.707 -3.882 1.00 14.23 C ATOM 1508 CD1 LEU A 90 -2.507 3.121 -2.960 1.00 34.32 C ATOM 1509 CD2 LEU A 90 -0.173 4.126 -3.115 1.00 43.35 C ATOM 0 H LEU A 90 -1.688 3.223 -7.419 1.00 2.34 H new ATOM 0 HA LEU A 90 0.233 4.255 -5.693 1.00 62.33 H new ATOM 0 HB2 LEU A 90 -2.101 2.585 -5.597 1.00 42.24 H new ATOM 0 HB3 LEU A 90 -0.833 1.796 -4.680 1.00 42.24 H new ATOM 0 HG LEU A 90 -1.809 4.636 -4.309 1.00 14.23 H new ATOM 0 HD11 LEU A 90 -2.684 3.803 -2.128 1.00 34.32 H new ATOM 0 HD12 LEU A 90 -3.432 2.985 -3.520 1.00 34.32 H new ATOM 0 HD13 LEU A 90 -2.171 2.158 -2.575 1.00 34.32 H new ATOM 0 HD21 LEU A 90 -0.450 4.792 -2.298 1.00 43.35 H new ATOM 0 HD22 LEU A 90 0.318 3.241 -2.711 1.00 43.35 H new ATOM 0 HD23 LEU A 90 0.509 4.643 -3.790 1.00 43.35 H new ATOM 1521 N HIS A 91 0.957 1.221 -6.811 1.00 11.24 N ATOM 1522 CA HIS A 91 2.041 0.275 -7.048 1.00 44.30 C ATOM 1523 C HIS A 91 3.222 0.960 -7.762 1.00 65.40 C ATOM 1524 O HIS A 91 4.379 0.763 -7.391 1.00 62.10 O ATOM 1525 CB HIS A 91 1.442 -0.892 -7.851 1.00 74.21 C ATOM 1526 CG HIS A 91 2.311 -2.085 -8.187 1.00 23.33 C ATOM 1527 ND1 HIS A 91 1.836 -3.201 -8.838 1.00 12.20 N ATOM 1528 CD2 HIS A 91 3.634 -2.308 -7.906 1.00 63.15 C ATOM 1529 CE1 HIS A 91 2.841 -4.081 -8.957 1.00 30.45 C ATOM 1530 NE2 HIS A 91 3.970 -3.558 -8.446 1.00 10.32 N ATOM 0 H HIS A 91 0.066 0.919 -7.205 1.00 11.24 H new ATOM 0 HA HIS A 91 2.457 -0.105 -6.115 1.00 44.30 H new ATOM 0 HB2 HIS A 91 0.579 -1.261 -7.297 1.00 74.21 H new ATOM 0 HB3 HIS A 91 1.068 -0.485 -8.790 1.00 74.21 H new ATOM 0 HD2 HIS A 91 4.295 -1.644 -7.368 1.00 63.15 H new ATOM 0 HE1 HIS A 91 2.756 -5.063 -9.398 1.00 30.45 H new ATOM 0 HE2 HIS A 91 4.895 -3.989 -8.450 1.00 10.32 H new ATOM 1538 N LYS A 92 2.961 1.767 -8.796 1.00 0.33 N ATOM 1539 CA LYS A 92 3.994 2.475 -9.554 1.00 62.41 C ATOM 1540 C LYS A 92 4.694 3.522 -8.681 1.00 4.02 C ATOM 1541 O LYS A 92 5.917 3.672 -8.747 1.00 61.24 O ATOM 1542 CB LYS A 92 3.345 3.126 -10.790 1.00 22.30 C ATOM 1543 CG LYS A 92 4.385 3.614 -11.804 1.00 2.40 C ATOM 1544 CD LYS A 92 3.741 4.510 -12.869 1.00 24.33 C ATOM 1545 CE LYS A 92 4.779 4.899 -13.923 1.00 65.23 C ATOM 1546 NZ LYS A 92 5.065 3.799 -14.864 1.00 43.32 N1+ ATOM 0 H LYS A 92 2.015 1.948 -9.133 1.00 0.33 H new ATOM 0 HA LYS A 92 4.757 1.767 -9.878 1.00 62.41 H new ATOM 0 HB2 LYS A 92 2.682 2.407 -11.271 1.00 22.30 H new ATOM 0 HB3 LYS A 92 2.728 3.967 -10.473 1.00 22.30 H new ATOM 0 HG2 LYS A 92 5.170 4.166 -11.287 1.00 2.40 H new ATOM 0 HG3 LYS A 92 4.859 2.758 -12.283 1.00 2.40 H new ATOM 0 HD2 LYS A 92 2.909 3.987 -13.341 1.00 24.33 H new ATOM 0 HD3 LYS A 92 3.331 5.406 -12.403 1.00 24.33 H new ATOM 0 HE2 LYS A 92 4.421 5.765 -14.479 1.00 65.23 H new ATOM 0 HE3 LYS A 92 5.702 5.198 -13.427 1.00 65.23 H new ATOM 0 HZ1 LYS A 92 5.735 4.127 -15.588 1.00 43.32 H new ATOM 0 HZ2 LYS A 92 5.480 2.998 -14.346 1.00 43.32 H new ATOM 0 HZ3 LYS A 92 4.182 3.495 -15.322 1.00 43.32 H new ATOM 1560 N LEU A 93 3.929 4.276 -7.892 1.00 63.33 N ATOM 1561 CA LEU A 93 4.401 5.349 -7.025 1.00 20.11 C ATOM 1562 C LEU A 93 5.250 4.772 -5.892 1.00 43.43 C ATOM 1563 O LEU A 93 6.354 5.256 -5.639 1.00 62.13 O ATOM 1564 CB LEU A 93 3.183 6.123 -6.487 1.00 1.11 C ATOM 1565 CG LEU A 93 3.550 7.409 -5.721 1.00 52.21 C ATOM 1566 CD1 LEU A 93 4.175 8.475 -6.628 1.00 23.33 C ATOM 1567 CD2 LEU A 93 2.291 7.986 -5.071 1.00 24.41 C ATOM 0 H LEU A 93 2.918 4.148 -7.839 1.00 63.33 H new ATOM 0 HA LEU A 93 5.033 6.039 -7.585 1.00 20.11 H new ATOM 0 HB2 LEU A 93 2.532 6.382 -7.322 1.00 1.11 H new ATOM 0 HB3 LEU A 93 2.612 5.469 -5.828 1.00 1.11 H new ATOM 0 HG LEU A 93 4.291 7.139 -4.968 1.00 52.21 H new ATOM 0 HD11 LEU A 93 4.414 9.360 -6.038 1.00 23.33 H new ATOM 0 HD12 LEU A 93 5.086 8.081 -7.078 1.00 23.33 H new ATOM 0 HD13 LEU A 93 3.469 8.743 -7.414 1.00 23.33 H new ATOM 0 HD21 LEU A 93 2.546 8.896 -4.528 1.00 24.41 H new ATOM 0 HD22 LEU A 93 1.557 8.218 -5.843 1.00 24.41 H new ATOM 0 HD23 LEU A 93 1.872 7.256 -4.379 1.00 24.41 H new ATOM 1579 N TYR A 94 4.761 3.707 -5.256 1.00 62.42 N ATOM 1580 CA TYR A 94 5.487 2.921 -4.274 1.00 42.52 C ATOM 1581 C TYR A 94 6.815 2.470 -4.869 1.00 73.20 C ATOM 1582 O TYR A 94 7.857 2.822 -4.321 1.00 63.02 O ATOM 1583 CB TYR A 94 4.623 1.747 -3.804 1.00 5.32 C ATOM 1584 CG TYR A 94 5.363 0.787 -2.901 1.00 33.45 C ATOM 1585 CD1 TYR A 94 5.717 1.176 -1.593 1.00 12.54 C ATOM 1586 CD2 TYR A 94 5.732 -0.479 -3.393 1.00 3.30 C ATOM 1587 CE1 TYR A 94 6.446 0.303 -0.766 1.00 73.21 C ATOM 1588 CE2 TYR A 94 6.438 -1.367 -2.569 1.00 21.21 C ATOM 1589 CZ TYR A 94 6.792 -0.983 -1.255 1.00 54.02 C ATOM 1590 OH TYR A 94 7.468 -1.861 -0.472 1.00 52.45 O ATOM 0 H TYR A 94 3.816 3.361 -5.420 1.00 62.42 H new ATOM 0 HA TYR A 94 5.710 3.525 -3.394 1.00 42.52 H new ATOM 0 HB2 TYR A 94 3.752 2.134 -3.276 1.00 5.32 H new ATOM 0 HB3 TYR A 94 4.253 1.205 -4.674 1.00 5.32 H new ATOM 0 HD1 TYR A 94 5.427 2.149 -1.224 1.00 12.54 H new ATOM 0 HD2 TYR A 94 5.472 -0.765 -4.401 1.00 3.30 H new ATOM 0 HE1 TYR A 94 6.739 0.607 0.228 1.00 73.21 H new ATOM 0 HE2 TYR A 94 6.711 -2.344 -2.938 1.00 21.21 H new ATOM 0 HH TYR A 94 7.620 -2.692 -0.968 1.00 52.45 H new ATOM 1600 N LYS A 95 6.797 1.797 -6.030 1.00 41.45 N ATOM 1601 CA LYS A 95 8.013 1.408 -6.746 1.00 54.30 C ATOM 1602 C LYS A 95 8.973 2.579 -6.886 1.00 22.23 C ATOM 1603 O LYS A 95 10.133 2.433 -6.531 1.00 35.23 O ATOM 1604 CB LYS A 95 7.707 0.771 -8.105 1.00 32.21 C ATOM 1605 CG LYS A 95 7.315 -0.700 -7.930 1.00 61.25 C ATOM 1606 CD LYS A 95 6.855 -1.336 -9.245 1.00 54.15 C ATOM 1607 CE LYS A 95 8.011 -1.543 -10.224 1.00 22.41 C ATOM 1608 NZ LYS A 95 7.531 -2.096 -11.506 1.00 12.11 N1+ ATOM 0 H LYS A 95 5.936 1.509 -6.496 1.00 41.45 H new ATOM 0 HA LYS A 95 8.504 0.645 -6.143 1.00 54.30 H new ATOM 0 HB2 LYS A 95 6.898 1.314 -8.594 1.00 32.21 H new ATOM 0 HB3 LYS A 95 8.580 0.847 -8.754 1.00 32.21 H new ATOM 0 HG2 LYS A 95 8.166 -1.257 -7.537 1.00 61.25 H new ATOM 0 HG3 LYS A 95 6.516 -0.776 -7.192 1.00 61.25 H new ATOM 0 HD2 LYS A 95 6.382 -2.296 -9.036 1.00 54.15 H new ATOM 0 HD3 LYS A 95 6.099 -0.702 -9.708 1.00 54.15 H new ATOM 0 HE2 LYS A 95 8.516 -0.593 -10.401 1.00 22.41 H new ATOM 0 HE3 LYS A 95 8.746 -2.218 -9.786 1.00 22.41 H new ATOM 0 HZ1 LYS A 95 8.336 -2.226 -12.151 1.00 12.11 H new ATOM 0 HZ2 LYS A 95 7.070 -3.013 -11.338 1.00 12.11 H new ATOM 0 HZ3 LYS A 95 6.848 -1.439 -11.934 1.00 12.11 H new ATOM 1622 N HIS A 96 8.520 3.741 -7.363 1.00 2.14 N ATOM 1623 CA HIS A 96 9.387 4.913 -7.488 1.00 2.00 C ATOM 1624 C HIS A 96 10.061 5.264 -6.161 1.00 64.43 C ATOM 1625 O HIS A 96 11.247 5.612 -6.166 1.00 42.32 O ATOM 1626 CB HIS A 96 8.599 6.142 -7.950 1.00 24.51 C ATOM 1627 CG HIS A 96 8.394 6.259 -9.432 1.00 14.41 C ATOM 1628 ND1 HIS A 96 7.707 5.378 -10.232 1.00 42.35 N ATOM 1629 CD2 HIS A 96 8.828 7.294 -10.216 1.00 62.44 C ATOM 1630 CE1 HIS A 96 7.760 5.856 -11.487 1.00 43.34 C ATOM 1631 NE2 HIS A 96 8.400 7.038 -11.520 1.00 62.31 N ATOM 0 H HIS A 96 7.559 3.894 -7.668 1.00 2.14 H new ATOM 0 HA HIS A 96 10.143 4.651 -8.228 1.00 2.00 H new ATOM 0 HB2 HIS A 96 7.623 6.129 -7.466 1.00 24.51 H new ATOM 0 HB3 HIS A 96 9.116 7.036 -7.601 1.00 24.51 H new ATOM 0 HD1 HIS A 96 7.243 4.521 -9.930 1.00 42.35 H new ATOM 0 HD2 HIS A 96 9.397 8.151 -9.886 1.00 62.44 H new ATOM 0 HE1 HIS A 96 7.345 5.359 -12.351 1.00 43.34 H new ATOM 1639 N ALA A 97 9.303 5.259 -5.058 1.00 74.32 N ATOM 1640 CA ALA A 97 9.818 5.558 -3.729 1.00 62.11 C ATOM 1641 C ALA A 97 10.923 4.573 -3.363 1.00 21.45 C ATOM 1642 O ALA A 97 12.077 4.992 -3.284 1.00 62.01 O ATOM 1643 CB ALA A 97 8.686 5.595 -2.691 1.00 12.11 C ATOM 0 H ALA A 97 8.306 5.044 -5.070 1.00 74.32 H new ATOM 0 HA ALA A 97 10.259 6.555 -3.733 1.00 62.11 H new ATOM 0 HB1 ALA A 97 9.101 5.820 -1.708 1.00 12.11 H new ATOM 0 HB2 ALA A 97 7.965 6.365 -2.966 1.00 12.11 H new ATOM 0 HB3 ALA A 97 8.188 4.626 -2.661 1.00 12.11 H new ATOM 1649 N ILE A 98 10.595 3.288 -3.204 1.00 4.01 N ATOM 1650 CA ILE A 98 11.540 2.265 -2.756 1.00 65.43 C ATOM 1651 C ILE A 98 12.766 2.255 -3.673 1.00 70.52 C ATOM 1652 O ILE A 98 13.900 2.310 -3.200 1.00 31.14 O ATOM 1653 CB ILE A 98 10.842 0.893 -2.616 1.00 34.23 C ATOM 1654 CG1 ILE A 98 11.829 -0.104 -1.987 1.00 72.03 C ATOM 1655 CG2 ILE A 98 10.232 0.359 -3.919 1.00 12.03 C ATOM 1656 CD1 ILE A 98 11.297 -1.524 -1.853 1.00 25.45 C ATOM 0 H ILE A 98 9.658 2.927 -3.384 1.00 4.01 H new ATOM 0 HA ILE A 98 11.904 2.504 -1.757 1.00 65.43 H new ATOM 0 HB ILE A 98 9.982 1.027 -1.960 1.00 34.23 H new ATOM 0 HG12 ILE A 98 12.737 -0.126 -2.590 1.00 72.03 H new ATOM 0 HG13 ILE A 98 12.111 0.259 -0.999 1.00 72.03 H new ATOM 0 HG21 ILE A 98 9.763 -0.607 -3.732 1.00 12.03 H new ATOM 0 HG22 ILE A 98 9.483 1.062 -4.285 1.00 12.03 H new ATOM 0 HG23 ILE A 98 11.016 0.243 -4.667 1.00 12.03 H new ATOM 0 HD11 ILE A 98 12.060 -2.157 -1.400 1.00 25.45 H new ATOM 0 HD12 ILE A 98 10.407 -1.521 -1.224 1.00 25.45 H new ATOM 0 HD13 ILE A 98 11.042 -1.912 -2.839 1.00 25.45 H new ATOM 1668 N LYS A 99 12.550 2.275 -4.993 1.00 65.44 N ATOM 1669 CA LYS A 99 13.634 2.176 -5.961 1.00 2.32 C ATOM 1670 C LYS A 99 14.601 3.336 -5.814 1.00 44.52 C ATOM 1671 O LYS A 99 15.798 3.095 -5.674 1.00 12.43 O ATOM 1672 CB LYS A 99 13.088 2.117 -7.390 1.00 70.12 C ATOM 1673 CG LYS A 99 12.605 0.723 -7.807 1.00 70.31 C ATOM 1674 CD LYS A 99 13.779 -0.270 -7.863 1.00 52.12 C ATOM 1675 CE LYS A 99 13.653 -1.322 -8.968 1.00 11.33 C ATOM 1676 NZ LYS A 99 13.867 -0.738 -10.309 1.00 60.11 N1+ ATOM 0 H LYS A 99 11.624 2.360 -5.412 1.00 65.44 H new ATOM 0 HA LYS A 99 14.174 1.251 -5.761 1.00 2.32 H new ATOM 0 HB2 LYS A 99 12.261 2.821 -7.483 1.00 70.12 H new ATOM 0 HB3 LYS A 99 13.865 2.444 -8.081 1.00 70.12 H new ATOM 0 HG2 LYS A 99 11.855 0.367 -7.100 1.00 70.31 H new ATOM 0 HG3 LYS A 99 12.123 0.778 -8.783 1.00 70.31 H new ATOM 0 HD2 LYS A 99 14.705 0.286 -8.009 1.00 52.12 H new ATOM 0 HD3 LYS A 99 13.859 -0.776 -6.901 1.00 52.12 H new ATOM 0 HE2 LYS A 99 14.379 -2.117 -8.798 1.00 11.33 H new ATOM 0 HE3 LYS A 99 12.664 -1.779 -8.924 1.00 11.33 H new ATOM 0 HZ1 LYS A 99 13.313 -1.269 -11.011 1.00 60.11 H new ATOM 0 HZ2 LYS A 99 13.562 0.256 -10.307 1.00 60.11 H new ATOM 0 HZ3 LYS A 99 14.877 -0.790 -10.553 1.00 60.11 H new ATOM 1690 N LYS A 100 14.078 4.569 -5.825 1.00 42.13 N ATOM 1691 CA LYS A 100 14.864 5.791 -5.656 1.00 4.50 C ATOM 1692 C LYS A 100 15.686 5.702 -4.376 1.00 64.53 C ATOM 1693 O LYS A 100 16.893 5.916 -4.382 1.00 65.31 O ATOM 1694 CB LYS A 100 13.884 6.970 -5.606 1.00 23.44 C ATOM 1695 CG LYS A 100 14.437 8.334 -5.180 1.00 42.32 C ATOM 1696 CD LYS A 100 13.306 9.228 -4.652 1.00 74.15 C ATOM 1697 CE LYS A 100 12.304 9.647 -5.736 1.00 14.21 C ATOM 1698 NZ LYS A 100 11.215 8.665 -5.939 1.00 55.41 N1+ ATOM 0 H LYS A 100 13.082 4.745 -5.954 1.00 42.13 H new ATOM 0 HA LYS A 100 15.560 5.928 -6.484 1.00 4.50 H new ATOM 0 HB2 LYS A 100 13.441 7.081 -6.596 1.00 23.44 H new ATOM 0 HB3 LYS A 100 13.076 6.707 -4.923 1.00 23.44 H new ATOM 0 HG2 LYS A 100 15.195 8.201 -4.408 1.00 42.32 H new ATOM 0 HG3 LYS A 100 14.925 8.816 -6.027 1.00 42.32 H new ATOM 0 HD2 LYS A 100 12.774 8.699 -3.861 1.00 74.15 H new ATOM 0 HD3 LYS A 100 13.739 10.122 -4.203 1.00 74.15 H new ATOM 0 HE2 LYS A 100 11.870 10.610 -5.467 1.00 14.21 H new ATOM 0 HE3 LYS A 100 12.836 9.789 -6.677 1.00 14.21 H new ATOM 0 HZ1 LYS A 100 10.342 9.165 -6.202 1.00 55.41 H new ATOM 0 HZ2 LYS A 100 11.479 8.006 -6.699 1.00 55.41 H new ATOM 0 HZ3 LYS A 100 11.058 8.134 -5.059 1.00 55.41 H new ATOM 1712 N ARG A 101 15.013 5.439 -3.262 1.00 13.00 N ATOM 1713 CA ARG A 101 15.604 5.474 -1.933 1.00 21.24 C ATOM 1714 C ARG A 101 16.648 4.375 -1.753 1.00 32.44 C ATOM 1715 O ARG A 101 17.536 4.531 -0.921 1.00 41.23 O ATOM 1716 CB ARG A 101 14.467 5.318 -0.925 1.00 43.10 C ATOM 1717 CG ARG A 101 13.476 6.492 -0.926 1.00 13.42 C ATOM 1718 CD ARG A 101 13.988 7.739 -0.218 1.00 31.55 C ATOM 1719 NE ARG A 101 14.276 7.496 1.205 1.00 14.22 N ATOM 1720 CZ ARG A 101 13.621 7.978 2.265 1.00 32.10 C ATOM 1721 NH1 ARG A 101 12.481 8.633 2.095 1.00 32.33 N1+ ATOM 1722 NH2 ARG A 101 14.150 7.849 3.474 1.00 74.22 N ATOM 0 H ARG A 101 14.024 5.191 -3.259 1.00 13.00 H new ATOM 0 HA ARG A 101 16.125 6.419 -1.781 1.00 21.24 H new ATOM 0 HB2 ARG A 101 13.926 4.397 -1.141 1.00 43.10 H new ATOM 0 HB3 ARG A 101 14.891 5.212 0.074 1.00 43.10 H new ATOM 0 HG2 ARG A 101 13.233 6.747 -1.957 1.00 13.42 H new ATOM 0 HG3 ARG A 101 12.549 6.172 -0.450 1.00 13.42 H new ATOM 0 HD2 ARG A 101 14.893 8.090 -0.714 1.00 31.55 H new ATOM 0 HD3 ARG A 101 13.247 8.534 -0.306 1.00 31.55 H new ATOM 0 HE ARG A 101 15.070 6.888 1.406 1.00 14.22 H new ATOM 0 HH11 ARG A 101 12.106 8.768 1.156 1.00 32.33 H new ATOM 0 HH12 ARG A 101 11.979 9.002 2.903 1.00 32.33 H new ATOM 0 HH21 ARG A 101 15.051 7.385 3.590 1.00 74.22 H new ATOM 0 HH22 ARG A 101 13.656 8.214 4.288 1.00 74.22 H new