USER MOD reduce.3.24.130724 H: found=0, std=0, add=552, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 555 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 69 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 73 HIS : no HD1:sc= -0.0637 X(o=-0.064,f=0.12) USER MOD Set 2.1: A 8 HIS : no HD1:sc= 2.03 K(o=4.6,f=-2.8) USER MOD Set 2.2: A 24 TYR OH : rot -57:sc= 1.28 USER MOD Set 2.3: A 26 THR OG1 : rot -118:sc= 1.25 USER MOD Single : A 7 ASN :FLIP amide:sc= -0.254 F(o=-1.2,f=-0.25) USER MOD Single : A 9 TYR OH : rot 100:sc= 0.624 USER MOD Single : A 11 TYR OH : rot 180:sc= 0.53 USER MOD Single : A 15 CYS SG : rot -120:sc= 0.769 USER MOD Single : A 16 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.004) USER MOD Single : A 19 SER OG : rot 41:sc= 0.0316 USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 THR OG1 : rot 170:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ 149:sc= 0.4 (180deg=0.0616) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 HIS : no HD1:sc= 0 X(o=0,f=-0.01) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 55 THR OG1 : rot -130:sc= -0.495 USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 MET CE :methyl -157:sc= -1.45 (180deg=-2.43) USER MOD Single : A 72 LYS NZ :NH3+ -157:sc= 0.681 (180deg=-0.1) USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 78 LYS NZ :NH3+ -170:sc=-0.00236 (180deg=-0.161) USER MOD Single : A 79 LYS NZ :NH3+ -143:sc= 1.49 (180deg=1.08) USER MOD Single : A 81 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 84 SER OG : rot 64:sc= 0.932 USER MOD ----------------------------------------------------------------- ATOM 18 N ASN A 7 2.481 -13.788 -5.285 1.00 0.00 N ATOM 19 CA ASN A 7 2.942 -12.413 -5.300 1.00 0.00 C ATOM 20 C ASN A 7 1.897 -11.481 -4.705 1.00 0.00 C ATOM 21 O ASN A 7 0.812 -11.310 -5.252 1.00 0.00 O ATOM 22 CB ASN A 7 3.319 -11.982 -6.729 1.00 0.00 C ATOM 23 CG ASN A 7 2.213 -12.208 -7.748 1.00 0.00 C ATOM 24 OD1 ASN A 7 2.205 -13.382 -8.365 1.00 0.00 O flip ATOM 25 ND2 ASN A 7 1.382 -11.335 -7.994 1.00 0.00 N flip ATOM 0 HA ASN A 7 3.836 -12.348 -4.680 1.00 0.00 H new ATOM 0 HB2 ASN A 7 3.584 -10.925 -6.722 1.00 0.00 H new ATOM 0 HB3 ASN A 7 4.207 -12.531 -7.042 1.00 0.00 H new ATOM 0 HD21 ASN A 7 1.418 -10.443 -7.500 1.00 0.00 H new ATOM 0 HD22 ASN A 7 0.657 -11.503 -8.692 1.00 0.00 H new ATOM 32 N HIS A 8 2.218 -10.913 -3.556 1.00 0.00 N ATOM 33 CA HIS A 8 1.342 -9.944 -2.919 1.00 0.00 C ATOM 34 C HIS A 8 1.995 -8.571 -2.957 1.00 0.00 C ATOM 35 O HIS A 8 2.853 -8.256 -2.128 1.00 0.00 O ATOM 36 CB HIS A 8 1.033 -10.332 -1.466 1.00 0.00 C ATOM 37 CG HIS A 8 0.454 -11.704 -1.295 1.00 0.00 C ATOM 38 ND1 HIS A 8 -0.897 -11.963 -1.329 1.00 0.00 N ATOM 39 CD2 HIS A 8 1.056 -12.893 -1.064 1.00 0.00 C ATOM 40 CE1 HIS A 8 -1.100 -13.250 -1.127 1.00 0.00 C ATOM 41 NE2 HIS A 8 0.067 -13.840 -0.964 1.00 0.00 N ATOM 0 H HIS A 8 3.079 -11.106 -3.044 1.00 0.00 H new ATOM 0 HA HIS A 8 0.400 -9.925 -3.467 1.00 0.00 H new ATOM 0 HB2 HIS A 8 1.951 -10.264 -0.883 1.00 0.00 H new ATOM 0 HB3 HIS A 8 0.337 -9.604 -1.050 1.00 0.00 H new ATOM 0 HD2 HIS A 8 2.118 -13.066 -0.975 1.00 0.00 H new ATOM 0 HE1 HIS A 8 -2.062 -13.739 -1.100 1.00 0.00 H new ATOM 0 HE2 HIS A 8 0.212 -14.835 -0.792 1.00 0.00 H new ATOM 50 N TYR A 9 1.611 -7.774 -3.936 1.00 0.00 N ATOM 51 CA TYR A 9 2.177 -6.446 -4.098 1.00 0.00 C ATOM 52 C TYR A 9 1.288 -5.400 -3.447 1.00 0.00 C ATOM 53 O TYR A 9 0.061 -5.437 -3.574 1.00 0.00 O ATOM 54 CB TYR A 9 2.364 -6.094 -5.575 1.00 0.00 C ATOM 55 CG TYR A 9 3.366 -6.957 -6.303 1.00 0.00 C ATOM 56 CD1 TYR A 9 4.725 -6.687 -6.237 1.00 0.00 C ATOM 57 CD2 TYR A 9 2.948 -8.034 -7.067 1.00 0.00 C ATOM 58 CE1 TYR A 9 5.642 -7.469 -6.914 1.00 0.00 C ATOM 59 CE2 TYR A 9 3.854 -8.822 -7.743 1.00 0.00 C ATOM 60 CZ TYR A 9 5.199 -8.538 -7.666 1.00 0.00 C ATOM 61 OH TYR A 9 6.104 -9.324 -8.344 1.00 0.00 O ATOM 0 H TYR A 9 0.909 -8.022 -4.633 1.00 0.00 H new ATOM 0 HA TYR A 9 3.152 -6.451 -3.611 1.00 0.00 H new ATOM 0 HB2 TYR A 9 1.401 -6.174 -6.079 1.00 0.00 H new ATOM 0 HB3 TYR A 9 2.678 -5.053 -5.650 1.00 0.00 H new ATOM 0 HD1 TYR A 9 5.072 -5.852 -5.647 1.00 0.00 H new ATOM 0 HD2 TYR A 9 1.894 -8.260 -7.134 1.00 0.00 H new ATOM 0 HE1 TYR A 9 6.697 -7.245 -6.855 1.00 0.00 H new ATOM 0 HE2 TYR A 9 3.510 -9.660 -8.331 1.00 0.00 H new ATOM 0 HH TYR A 9 6.273 -10.143 -7.833 1.00 0.00 H new ATOM 71 N VAL A 10 1.914 -4.474 -2.744 1.00 0.00 N ATOM 72 CA VAL A 10 1.208 -3.359 -2.150 1.00 0.00 C ATOM 73 C VAL A 10 1.692 -2.061 -2.773 1.00 0.00 C ATOM 74 O VAL A 10 2.757 -1.553 -2.415 1.00 0.00 O ATOM 75 CB VAL A 10 1.407 -3.286 -0.619 1.00 0.00 C ATOM 76 CG1 VAL A 10 0.420 -2.306 -0.006 1.00 0.00 C ATOM 77 CG2 VAL A 10 1.272 -4.667 0.014 1.00 0.00 C ATOM 0 H VAL A 10 2.919 -4.475 -2.571 1.00 0.00 H new ATOM 0 HA VAL A 10 0.146 -3.508 -2.343 1.00 0.00 H new ATOM 0 HB VAL A 10 2.417 -2.927 -0.418 1.00 0.00 H new ATOM 0 HG11 VAL A 10 0.571 -2.264 1.073 1.00 0.00 H new ATOM 0 HG12 VAL A 10 0.578 -1.316 -0.433 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -0.598 -2.634 -0.217 1.00 0.00 H new ATOM 0 HG21 VAL A 10 1.416 -4.589 1.092 1.00 0.00 H new ATOM 0 HG22 VAL A 10 0.279 -5.066 -0.191 1.00 0.00 H new ATOM 0 HG23 VAL A 10 2.025 -5.335 -0.405 1.00 0.00 H new ATOM 87 N TYR A 11 0.938 -1.552 -3.733 1.00 0.00 N ATOM 88 CA TYR A 11 1.279 -0.289 -4.360 1.00 0.00 C ATOM 89 C TYR A 11 0.434 0.825 -3.772 1.00 0.00 C ATOM 90 O TYR A 11 -0.790 0.719 -3.701 1.00 0.00 O ATOM 91 CB TYR A 11 1.111 -0.345 -5.887 1.00 0.00 C ATOM 92 CG TYR A 11 -0.245 -0.827 -6.368 1.00 0.00 C ATOM 93 CD1 TYR A 11 -0.492 -2.181 -6.547 1.00 0.00 C ATOM 94 CD2 TYR A 11 -1.268 0.071 -6.658 1.00 0.00 C ATOM 95 CE1 TYR A 11 -1.717 -2.630 -6.997 1.00 0.00 C ATOM 96 CE2 TYR A 11 -2.498 -0.371 -7.112 1.00 0.00 C ATOM 97 CZ TYR A 11 -2.717 -1.723 -7.278 1.00 0.00 C ATOM 98 OH TYR A 11 -3.936 -2.172 -7.741 1.00 0.00 O ATOM 0 H TYR A 11 0.091 -1.992 -4.093 1.00 0.00 H new ATOM 0 HA TYR A 11 2.331 -0.088 -4.158 1.00 0.00 H new ATOM 0 HB2 TYR A 11 1.291 0.650 -6.293 1.00 0.00 H new ATOM 0 HB3 TYR A 11 1.879 -1.000 -6.298 1.00 0.00 H new ATOM 0 HD1 TYR A 11 0.288 -2.896 -6.330 1.00 0.00 H new ATOM 0 HD2 TYR A 11 -1.099 1.130 -6.527 1.00 0.00 H new ATOM 0 HE1 TYR A 11 -1.892 -3.688 -7.129 1.00 0.00 H new ATOM 0 HE2 TYR A 11 -3.282 0.338 -7.335 1.00 0.00 H new ATOM 0 HH TYR A 11 -4.531 -1.408 -7.890 1.00 0.00 H new ATOM 108 N ILE A 12 1.086 1.876 -3.321 1.00 0.00 N ATOM 109 CA ILE A 12 0.371 3.022 -2.812 1.00 0.00 C ATOM 110 C ILE A 12 0.512 4.186 -3.795 1.00 0.00 C ATOM 111 O ILE A 12 1.604 4.719 -4.020 1.00 0.00 O ATOM 112 CB ILE A 12 0.828 3.400 -1.374 1.00 0.00 C ATOM 113 CG1 ILE A 12 -0.146 4.389 -0.741 1.00 0.00 C ATOM 114 CG2 ILE A 12 2.236 3.971 -1.356 1.00 0.00 C ATOM 115 CD1 ILE A 12 0.150 4.681 0.717 1.00 0.00 C ATOM 0 H ILE A 12 2.102 1.959 -3.297 1.00 0.00 H new ATOM 0 HA ILE A 12 -0.686 2.770 -2.727 1.00 0.00 H new ATOM 0 HB ILE A 12 0.835 2.481 -0.788 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -0.120 5.323 -1.303 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -1.158 3.994 -0.826 1.00 0.00 H new ATOM 0 HG21 ILE A 12 2.514 4.221 -0.332 1.00 0.00 H new ATOM 0 HG22 ILE A 12 2.933 3.232 -1.751 1.00 0.00 H new ATOM 0 HG23 ILE A 12 2.272 4.870 -1.972 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -0.582 5.391 1.102 1.00 0.00 H new ATOM 0 HD12 ILE A 12 0.095 3.756 1.292 1.00 0.00 H new ATOM 0 HD13 ILE A 12 1.150 5.105 0.807 1.00 0.00 H new ATOM 127 N LEU A 13 -0.590 4.522 -4.433 1.00 0.00 N ATOM 128 CA LEU A 13 -0.594 5.545 -5.465 1.00 0.00 C ATOM 129 C LEU A 13 -1.090 6.865 -4.909 1.00 0.00 C ATOM 130 O LEU A 13 -2.076 6.908 -4.178 1.00 0.00 O ATOM 131 CB LEU A 13 -1.471 5.095 -6.635 1.00 0.00 C ATOM 132 CG LEU A 13 -0.981 3.838 -7.353 1.00 0.00 C ATOM 133 CD1 LEU A 13 -2.044 3.304 -8.297 1.00 0.00 C ATOM 134 CD2 LEU A 13 0.299 4.131 -8.117 1.00 0.00 C ATOM 0 H LEU A 13 -1.501 4.100 -4.255 1.00 0.00 H new ATOM 0 HA LEU A 13 0.426 5.690 -5.820 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -2.481 4.916 -6.267 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -1.535 5.908 -7.358 1.00 0.00 H new ATOM 0 HG LEU A 13 -0.777 3.076 -6.601 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -1.671 2.409 -8.796 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -2.942 3.056 -7.731 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -2.283 4.062 -9.043 1.00 0.00 H new ATOM 0 HD21 LEU A 13 0.636 3.226 -8.623 1.00 0.00 H new ATOM 0 HD22 LEU A 13 0.112 4.911 -8.855 1.00 0.00 H new ATOM 0 HD23 LEU A 13 1.069 4.466 -7.422 1.00 0.00 H new ATOM 146 N GLU A 14 -0.393 7.936 -5.238 1.00 0.00 N ATOM 147 CA GLU A 14 -0.768 9.255 -4.763 1.00 0.00 C ATOM 148 C GLU A 14 -1.624 9.966 -5.797 1.00 0.00 C ATOM 149 O GLU A 14 -1.309 9.960 -6.986 1.00 0.00 O ATOM 150 CB GLU A 14 0.473 10.089 -4.452 1.00 0.00 C ATOM 151 CG GLU A 14 0.151 11.405 -3.763 1.00 0.00 C ATOM 152 CD GLU A 14 1.387 12.172 -3.364 1.00 0.00 C ATOM 153 OE1 GLU A 14 1.984 11.844 -2.319 1.00 0.00 O ATOM 154 OE2 GLU A 14 1.757 13.123 -4.079 1.00 0.00 O ATOM 0 H GLU A 14 0.436 7.919 -5.832 1.00 0.00 H new ATOM 0 HA GLU A 14 -1.346 9.135 -3.847 1.00 0.00 H new ATOM 0 HB2 GLU A 14 1.144 9.509 -3.818 1.00 0.00 H new ATOM 0 HB3 GLU A 14 1.008 10.293 -5.380 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -0.454 12.020 -4.429 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -0.451 11.208 -2.876 1.00 0.00 H new ATOM 161 N CYS A 15 -2.711 10.562 -5.341 1.00 0.00 N ATOM 162 CA CYS A 15 -3.570 11.348 -6.205 1.00 0.00 C ATOM 163 C CYS A 15 -3.046 12.781 -6.283 1.00 0.00 C ATOM 164 O CYS A 15 -2.034 13.110 -5.664 1.00 0.00 O ATOM 165 CB CYS A 15 -5.006 11.335 -5.656 1.00 0.00 C ATOM 166 SG CYS A 15 -6.247 12.060 -6.755 1.00 0.00 S ATOM 0 H CYS A 15 -3.020 10.515 -4.370 1.00 0.00 H new ATOM 0 HA CYS A 15 -3.572 10.918 -7.207 1.00 0.00 H new ATOM 0 HB2 CYS A 15 -5.289 10.304 -5.442 1.00 0.00 H new ATOM 0 HB3 CYS A 15 -5.022 11.873 -4.708 1.00 0.00 H new ATOM 0 HG CYS A 15 -6.821 13.063 -6.160 1.00 0.00 H new ATOM 172 N LYS A 16 -3.721 13.623 -7.059 1.00 0.00 N ATOM 173 CA LYS A 16 -3.471 15.058 -7.029 1.00 0.00 C ATOM 174 C LYS A 16 -3.763 15.577 -5.625 1.00 0.00 C ATOM 175 O LYS A 16 -3.154 16.538 -5.149 1.00 0.00 O ATOM 176 CB LYS A 16 -4.365 15.770 -8.051 1.00 0.00 C ATOM 177 CG LYS A 16 -4.357 17.284 -7.922 1.00 0.00 C ATOM 178 CD LYS A 16 -5.408 17.933 -8.810 1.00 0.00 C ATOM 179 CE LYS A 16 -5.583 19.407 -8.476 1.00 0.00 C ATOM 180 NZ LYS A 16 -4.356 20.195 -8.755 1.00 0.00 N ATOM 0 H LYS A 16 -4.446 13.335 -7.717 1.00 0.00 H new ATOM 0 HA LYS A 16 -2.430 15.256 -7.286 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -4.040 15.498 -9.055 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -5.388 15.410 -7.938 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -4.538 17.561 -6.883 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -3.371 17.666 -8.187 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -5.119 17.827 -9.856 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -6.359 17.415 -8.688 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -6.413 19.813 -9.055 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -5.848 19.510 -7.424 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -4.532 21.198 -8.545 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -3.578 19.848 -8.159 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -4.097 20.092 -9.757 1.00 0.00 H new ATOM 194 N ASP A 17 -4.710 14.912 -4.980 1.00 0.00 N ATOM 195 CA ASP A 17 -5.119 15.238 -3.626 1.00 0.00 C ATOM 196 C ASP A 17 -4.208 14.540 -2.628 1.00 0.00 C ATOM 197 O ASP A 17 -3.480 13.613 -2.983 1.00 0.00 O ATOM 198 CB ASP A 17 -6.566 14.797 -3.393 1.00 0.00 C ATOM 199 CG ASP A 17 -7.500 15.241 -4.498 1.00 0.00 C ATOM 200 OD1 ASP A 17 -8.040 16.363 -4.410 1.00 0.00 O ATOM 201 OD2 ASP A 17 -7.695 14.472 -5.461 1.00 0.00 O ATOM 0 H ASP A 17 -5.218 14.126 -5.386 1.00 0.00 H new ATOM 0 HA ASP A 17 -5.047 16.317 -3.488 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -6.601 13.711 -3.309 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -6.916 15.202 -2.443 1.00 0.00 H new ATOM 206 N GLY A 18 -4.285 14.957 -1.374 1.00 0.00 N ATOM 207 CA GLY A 18 -3.458 14.370 -0.333 1.00 0.00 C ATOM 208 C GLY A 18 -3.990 13.030 0.149 1.00 0.00 C ATOM 209 O GLY A 18 -3.932 12.713 1.337 1.00 0.00 O ATOM 0 H GLY A 18 -4.910 15.697 -1.054 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -2.444 14.240 -0.710 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -3.399 15.058 0.510 1.00 0.00 H new ATOM 213 N SER A 19 -4.509 12.247 -0.778 1.00 0.00 N ATOM 214 CA SER A 19 -5.058 10.945 -0.467 1.00 0.00 C ATOM 215 C SER A 19 -4.298 9.859 -1.214 1.00 0.00 C ATOM 216 O SER A 19 -4.114 9.946 -2.433 1.00 0.00 O ATOM 217 CB SER A 19 -6.545 10.907 -0.828 1.00 0.00 C ATOM 218 OG SER A 19 -6.769 11.413 -2.138 1.00 0.00 O ATOM 0 H SER A 19 -4.561 12.497 -1.766 1.00 0.00 H new ATOM 0 HA SER A 19 -4.953 10.762 0.602 1.00 0.00 H new ATOM 0 HB2 SER A 19 -6.912 9.883 -0.763 1.00 0.00 H new ATOM 0 HB3 SER A 19 -7.112 11.495 -0.106 1.00 0.00 H new ATOM 0 HG SER A 19 -6.070 11.083 -2.740 1.00 0.00 H new ATOM 224 N TRP A 20 -3.848 8.850 -0.487 1.00 0.00 N ATOM 225 CA TRP A 20 -3.124 7.746 -1.095 1.00 0.00 C ATOM 226 C TRP A 20 -4.043 6.560 -1.355 1.00 0.00 C ATOM 227 O TRP A 20 -4.954 6.281 -0.574 1.00 0.00 O ATOM 228 CB TRP A 20 -1.951 7.313 -0.218 1.00 0.00 C ATOM 229 CG TRP A 20 -0.735 8.166 -0.380 1.00 0.00 C ATOM 230 CD1 TRP A 20 -0.052 8.391 -1.534 1.00 0.00 C ATOM 231 CD2 TRP A 20 -0.035 8.881 0.644 1.00 0.00 C ATOM 232 NE1 TRP A 20 1.018 9.214 -1.298 1.00 0.00 N ATOM 233 CE2 TRP A 20 1.055 9.523 0.029 1.00 0.00 C ATOM 234 CE3 TRP A 20 -0.222 9.045 2.017 1.00 0.00 C ATOM 235 CZ2 TRP A 20 1.951 10.313 0.738 1.00 0.00 C ATOM 236 CZ3 TRP A 20 0.671 9.831 2.720 1.00 0.00 C ATOM 237 CH2 TRP A 20 1.746 10.453 2.077 1.00 0.00 C ATOM 0 H TRP A 20 -3.971 8.772 0.523 1.00 0.00 H new ATOM 0 HA TRP A 20 -2.736 8.098 -2.051 1.00 0.00 H new ATOM 0 HB2 TRP A 20 -2.262 7.334 0.826 1.00 0.00 H new ATOM 0 HB3 TRP A 20 -1.694 6.280 -0.454 1.00 0.00 H new ATOM 0 HD1 TRP A 20 -0.315 7.980 -2.498 1.00 0.00 H new ATOM 0 HE1 TRP A 20 1.680 9.542 -2.002 1.00 0.00 H new ATOM 0 HE3 TRP A 20 -1.049 8.567 2.521 1.00 0.00 H new ATOM 0 HZ2 TRP A 20 2.780 10.799 0.245 1.00 0.00 H new ATOM 0 HZ3 TRP A 20 0.537 9.967 3.783 1.00 0.00 H new ATOM 0 HH2 TRP A 20 2.429 11.058 2.655 1.00 0.00 H new ATOM 248 N TYR A 21 -3.785 5.867 -2.453 1.00 0.00 N ATOM 249 CA TYR A 21 -4.570 4.708 -2.849 1.00 0.00 C ATOM 250 C TYR A 21 -3.749 3.442 -2.654 1.00 0.00 C ATOM 251 O TYR A 21 -2.834 3.158 -3.431 1.00 0.00 O ATOM 252 CB TYR A 21 -5.006 4.854 -4.313 1.00 0.00 C ATOM 253 CG TYR A 21 -5.835 3.705 -4.845 1.00 0.00 C ATOM 254 CD1 TYR A 21 -7.129 3.481 -4.391 1.00 0.00 C ATOM 255 CD2 TYR A 21 -5.326 2.857 -5.821 1.00 0.00 C ATOM 256 CE1 TYR A 21 -7.891 2.439 -4.893 1.00 0.00 C ATOM 257 CE2 TYR A 21 -6.080 1.814 -6.327 1.00 0.00 C ATOM 258 CZ TYR A 21 -7.361 1.609 -5.859 1.00 0.00 C ATOM 259 OH TYR A 21 -8.117 0.573 -6.363 1.00 0.00 O ATOM 0 H TYR A 21 -3.025 6.092 -3.095 1.00 0.00 H new ATOM 0 HA TYR A 21 -5.463 4.641 -2.227 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -5.579 5.776 -4.417 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -4.116 4.960 -4.934 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -7.547 4.129 -3.635 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -4.324 3.015 -6.191 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -8.895 2.277 -4.530 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -5.668 1.164 -7.084 1.00 0.00 H new ATOM 0 HH TYR A 21 -7.597 0.085 -7.035 1.00 0.00 H new ATOM 269 N THR A 22 -4.051 2.709 -1.597 1.00 0.00 N ATOM 270 CA THR A 22 -3.329 1.490 -1.282 1.00 0.00 C ATOM 271 C THR A 22 -3.970 0.294 -1.980 1.00 0.00 C ATOM 272 O THR A 22 -5.060 -0.148 -1.605 1.00 0.00 O ATOM 273 CB THR A 22 -3.298 1.255 0.238 1.00 0.00 C ATOM 274 OG1 THR A 22 -2.977 2.487 0.902 1.00 0.00 O ATOM 275 CG2 THR A 22 -2.266 0.195 0.605 1.00 0.00 C ATOM 0 H THR A 22 -4.796 2.939 -0.939 1.00 0.00 H new ATOM 0 HA THR A 22 -2.305 1.600 -1.640 1.00 0.00 H new ATOM 0 HB THR A 22 -4.280 0.903 0.556 1.00 0.00 H new ATOM 0 HG1 THR A 22 -2.958 2.341 1.871 1.00 0.00 H new ATOM 0 HG21 THR A 22 -2.264 0.048 1.685 1.00 0.00 H new ATOM 0 HG22 THR A 22 -2.517 -0.744 0.111 1.00 0.00 H new ATOM 0 HG23 THR A 22 -1.278 0.522 0.282 1.00 0.00 H new ATOM 283 N GLY A 23 -3.300 -0.206 -3.008 1.00 0.00 N ATOM 284 CA GLY A 23 -3.821 -1.321 -3.767 1.00 0.00 C ATOM 285 C GLY A 23 -3.125 -2.623 -3.430 1.00 0.00 C ATOM 286 O GLY A 23 -1.921 -2.765 -3.647 1.00 0.00 O ATOM 0 H GLY A 23 -2.398 0.145 -3.331 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -4.889 -1.422 -3.573 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -3.708 -1.117 -4.832 1.00 0.00 H new ATOM 290 N TYR A 24 -3.884 -3.562 -2.894 1.00 0.00 N ATOM 291 CA TYR A 24 -3.369 -4.877 -2.543 1.00 0.00 C ATOM 292 C TYR A 24 -3.652 -5.862 -3.673 1.00 0.00 C ATOM 293 O TYR A 24 -4.801 -6.252 -3.895 1.00 0.00 O ATOM 294 CB TYR A 24 -4.025 -5.345 -1.239 1.00 0.00 C ATOM 295 CG TYR A 24 -3.594 -6.717 -0.770 1.00 0.00 C ATOM 296 CD1 TYR A 24 -2.276 -6.976 -0.422 1.00 0.00 C ATOM 297 CD2 TYR A 24 -4.516 -7.755 -0.670 1.00 0.00 C ATOM 298 CE1 TYR A 24 -1.888 -8.228 0.014 1.00 0.00 C ATOM 299 CE2 TYR A 24 -4.133 -9.008 -0.233 1.00 0.00 C ATOM 300 CZ TYR A 24 -2.820 -9.238 0.108 1.00 0.00 C ATOM 301 OH TYR A 24 -2.437 -10.483 0.551 1.00 0.00 O ATOM 0 H TYR A 24 -4.875 -3.436 -2.689 1.00 0.00 H new ATOM 0 HA TYR A 24 -2.290 -4.824 -2.397 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -3.800 -4.621 -0.455 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -5.107 -5.345 -1.372 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -1.542 -6.187 -0.493 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -5.547 -7.578 -0.938 1.00 0.00 H new ATOM 0 HE1 TYR A 24 -0.858 -8.414 0.280 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -4.860 -9.803 -0.159 1.00 0.00 H new ATOM 0 HH TYR A 24 -1.717 -10.826 -0.019 1.00 0.00 H new ATOM 311 N THR A 25 -2.613 -6.253 -4.396 1.00 0.00 N ATOM 312 CA THR A 25 -2.789 -7.107 -5.560 1.00 0.00 C ATOM 313 C THR A 25 -2.049 -8.439 -5.407 1.00 0.00 C ATOM 314 O THR A 25 -0.896 -8.488 -4.970 1.00 0.00 O ATOM 315 CB THR A 25 -2.339 -6.384 -6.858 1.00 0.00 C ATOM 316 OG1 THR A 25 -2.580 -7.197 -8.017 1.00 0.00 O ATOM 317 CG2 THR A 25 -0.865 -6.017 -6.806 1.00 0.00 C ATOM 0 H THR A 25 -1.646 -5.995 -4.199 1.00 0.00 H new ATOM 0 HA THR A 25 -3.854 -7.325 -5.636 1.00 0.00 H new ATOM 0 HB THR A 25 -2.930 -5.471 -6.931 1.00 0.00 H new ATOM 0 HG1 THR A 25 -2.440 -6.662 -8.826 1.00 0.00 H new ATOM 0 HG21 THR A 25 -0.583 -5.512 -7.730 1.00 0.00 H new ATOM 0 HG22 THR A 25 -0.685 -5.353 -5.960 1.00 0.00 H new ATOM 0 HG23 THR A 25 -0.269 -6.922 -6.690 1.00 0.00 H new ATOM 325 N THR A 26 -2.750 -9.510 -5.743 1.00 0.00 N ATOM 326 CA THR A 26 -2.181 -10.844 -5.784 1.00 0.00 C ATOM 327 C THR A 26 -2.528 -11.452 -7.134 1.00 0.00 C ATOM 328 O THR A 26 -3.399 -12.315 -7.247 1.00 0.00 O ATOM 329 CB THR A 26 -2.740 -11.734 -4.654 1.00 0.00 C ATOM 330 OG1 THR A 26 -2.695 -11.027 -3.403 1.00 0.00 O ATOM 331 CG2 THR A 26 -1.946 -13.029 -4.536 1.00 0.00 C ATOM 0 H THR A 26 -3.737 -9.476 -5.997 1.00 0.00 H new ATOM 0 HA THR A 26 -1.102 -10.781 -5.644 1.00 0.00 H new ATOM 0 HB THR A 26 -3.773 -11.981 -4.897 1.00 0.00 H new ATOM 0 HG1 THR A 26 -2.108 -11.503 -2.779 1.00 0.00 H new ATOM 0 HG21 THR A 26 -2.360 -13.638 -3.733 1.00 0.00 H new ATOM 0 HG22 THR A 26 -2.005 -13.579 -5.475 1.00 0.00 H new ATOM 0 HG23 THR A 26 -0.904 -12.798 -4.316 1.00 0.00 H new ATOM 351 N VAL A 28 -1.007 -12.851 -10.706 1.00 0.00 N ATOM 352 CA VAL A 28 -0.072 -13.306 -11.729 1.00 0.00 C ATOM 353 C VAL A 28 -0.506 -12.761 -13.084 1.00 0.00 C ATOM 354 O VAL A 28 0.308 -12.252 -13.859 1.00 0.00 O ATOM 355 CB VAL A 28 -0.008 -14.846 -11.795 1.00 0.00 C ATOM 356 CG1 VAL A 28 1.013 -15.297 -12.825 1.00 0.00 C ATOM 357 CG2 VAL A 28 0.310 -15.426 -10.427 1.00 0.00 C ATOM 0 HA VAL A 28 0.920 -12.937 -11.470 1.00 0.00 H new ATOM 0 HB VAL A 28 -0.985 -15.218 -12.103 1.00 0.00 H new ATOM 0 HG11 VAL A 28 1.042 -16.386 -12.856 1.00 0.00 H new ATOM 0 HG12 VAL A 28 0.733 -14.914 -13.806 1.00 0.00 H new ATOM 0 HG13 VAL A 28 1.997 -14.915 -12.553 1.00 0.00 H new ATOM 0 HG21 VAL A 28 0.351 -16.513 -10.493 1.00 0.00 H new ATOM 0 HG22 VAL A 28 1.273 -15.047 -10.086 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -0.466 -15.135 -9.719 1.00 0.00 H new ATOM 367 N ASP A 29 -1.812 -12.856 -13.333 1.00 0.00 N ATOM 368 CA ASP A 29 -2.430 -12.382 -14.571 1.00 0.00 C ATOM 369 C ASP A 29 -2.033 -10.945 -14.887 1.00 0.00 C ATOM 370 O ASP A 29 -1.638 -10.639 -16.008 1.00 0.00 O ATOM 371 CB ASP A 29 -3.955 -12.483 -14.457 1.00 0.00 C ATOM 372 CG ASP A 29 -4.680 -11.854 -15.632 1.00 0.00 C ATOM 373 OD1 ASP A 29 -4.720 -12.471 -16.715 1.00 0.00 O ATOM 374 OD2 ASP A 29 -5.233 -10.743 -15.468 1.00 0.00 O ATOM 0 H ASP A 29 -2.476 -13.267 -12.676 1.00 0.00 H new ATOM 0 HA ASP A 29 -2.074 -13.013 -15.385 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -4.239 -13.532 -14.381 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -4.278 -11.998 -13.536 1.00 0.00 H new ATOM 379 N ARG A 30 -2.118 -10.076 -13.887 1.00 0.00 N ATOM 380 CA ARG A 30 -1.833 -8.655 -14.069 1.00 0.00 C ATOM 381 C ARG A 30 -0.448 -8.429 -14.668 1.00 0.00 C ATOM 382 O ARG A 30 -0.308 -7.721 -15.663 1.00 0.00 O ATOM 383 CB ARG A 30 -1.947 -7.913 -12.734 1.00 0.00 C ATOM 384 CG ARG A 30 -1.588 -6.437 -12.820 1.00 0.00 C ATOM 385 CD ARG A 30 -1.832 -5.725 -11.500 1.00 0.00 C ATOM 386 NE ARG A 30 -1.365 -4.337 -11.530 1.00 0.00 N ATOM 387 CZ ARG A 30 -1.912 -3.345 -10.824 1.00 0.00 C ATOM 388 NH1 ARG A 30 -2.983 -3.572 -10.070 1.00 0.00 N ATOM 389 NH2 ARG A 30 -1.387 -2.123 -10.880 1.00 0.00 N ATOM 0 H ARG A 30 -2.383 -10.331 -12.936 1.00 0.00 H new ATOM 0 HA ARG A 30 -2.571 -8.261 -14.767 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -2.967 -8.008 -12.362 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -1.295 -8.394 -12.005 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -0.540 -6.332 -13.102 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -2.178 -5.963 -13.604 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -2.897 -5.744 -11.269 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -1.323 -6.261 -10.699 1.00 0.00 H new ATOM 0 HE ARG A 30 -0.570 -4.114 -12.129 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -3.389 -4.507 -10.030 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -3.398 -2.812 -9.532 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -0.568 -1.946 -11.462 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -1.804 -1.364 -10.341 1.00 0.00 H new ATOM 403 N ARG A 31 0.566 -9.047 -14.073 1.00 0.00 N ATOM 404 CA ARG A 31 1.947 -8.814 -14.482 1.00 0.00 C ATOM 405 C ARG A 31 2.185 -9.267 -15.923 1.00 0.00 C ATOM 406 O ARG A 31 2.614 -8.479 -16.771 1.00 0.00 O ATOM 407 CB ARG A 31 2.917 -9.543 -13.549 1.00 0.00 C ATOM 408 CG ARG A 31 2.745 -9.186 -12.080 1.00 0.00 C ATOM 409 CD ARG A 31 3.799 -9.854 -11.214 1.00 0.00 C ATOM 410 NE ARG A 31 3.832 -11.301 -11.418 1.00 0.00 N ATOM 411 CZ ARG A 31 4.538 -12.146 -10.672 1.00 0.00 C ATOM 412 NH1 ARG A 31 5.269 -11.698 -9.657 1.00 0.00 N ATOM 413 NH2 ARG A 31 4.517 -13.444 -10.948 1.00 0.00 N ATOM 0 H ARG A 31 0.459 -9.712 -13.307 1.00 0.00 H new ATOM 0 HA ARG A 31 2.128 -7.741 -14.422 1.00 0.00 H new ATOM 0 HB2 ARG A 31 2.783 -10.618 -13.670 1.00 0.00 H new ATOM 0 HB3 ARG A 31 3.939 -9.313 -13.851 1.00 0.00 H new ATOM 0 HG2 ARG A 31 2.806 -8.104 -11.959 1.00 0.00 H new ATOM 0 HG3 ARG A 31 1.753 -9.489 -11.745 1.00 0.00 H new ATOM 0 HD2 ARG A 31 4.778 -9.432 -11.443 1.00 0.00 H new ATOM 0 HD3 ARG A 31 3.597 -9.639 -10.165 1.00 0.00 H new ATOM 0 HE ARG A 31 3.278 -11.688 -12.182 1.00 0.00 H new ATOM 0 HH11 ARG A 31 5.291 -10.700 -9.446 1.00 0.00 H new ATOM 0 HH12 ARG A 31 5.808 -12.352 -9.089 1.00 0.00 H new ATOM 0 HH21 ARG A 31 3.961 -13.790 -11.730 1.00 0.00 H new ATOM 0 HH22 ARG A 31 5.057 -14.095 -10.378 1.00 0.00 H new ATOM 427 N ILE A 32 1.899 -10.537 -16.190 1.00 0.00 N ATOM 428 CA ILE A 32 2.129 -11.113 -17.509 1.00 0.00 C ATOM 429 C ILE A 32 1.299 -10.397 -18.578 1.00 0.00 C ATOM 430 O ILE A 32 1.790 -10.129 -19.678 1.00 0.00 O ATOM 431 CB ILE A 32 1.850 -12.638 -17.525 1.00 0.00 C ATOM 432 CG1 ILE A 32 2.120 -13.221 -18.913 1.00 0.00 C ATOM 433 CG2 ILE A 32 0.425 -12.945 -17.078 1.00 0.00 C ATOM 434 CD1 ILE A 32 1.976 -14.727 -18.975 1.00 0.00 C ATOM 0 H ILE A 32 1.507 -11.187 -15.509 1.00 0.00 H new ATOM 0 HA ILE A 32 3.183 -10.968 -17.744 1.00 0.00 H new ATOM 0 HB ILE A 32 2.530 -13.109 -16.815 1.00 0.00 H new ATOM 0 HG12 ILE A 32 1.433 -12.769 -19.628 1.00 0.00 H new ATOM 0 HG13 ILE A 32 3.128 -12.947 -19.223 1.00 0.00 H new ATOM 0 HG21 ILE A 32 0.261 -14.022 -17.100 1.00 0.00 H new ATOM 0 HG22 ILE A 32 0.274 -12.576 -16.064 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -0.280 -12.457 -17.750 1.00 0.00 H new ATOM 0 HD11 ILE A 32 2.182 -15.071 -19.989 1.00 0.00 H new ATOM 0 HD12 ILE A 32 2.682 -15.189 -18.285 1.00 0.00 H new ATOM 0 HD13 ILE A 32 0.960 -15.007 -18.696 1.00 0.00 H new ATOM 446 N LYS A 33 0.053 -10.069 -18.245 1.00 0.00 N ATOM 447 CA LYS A 33 -0.833 -9.365 -19.168 1.00 0.00 C ATOM 448 C LYS A 33 -0.268 -7.997 -19.538 1.00 0.00 C ATOM 449 O LYS A 33 -0.328 -7.588 -20.697 1.00 0.00 O ATOM 450 CB LYS A 33 -2.227 -9.218 -18.558 1.00 0.00 C ATOM 451 CG LYS A 33 -3.233 -8.526 -19.463 1.00 0.00 C ATOM 452 CD LYS A 33 -4.643 -8.672 -18.919 1.00 0.00 C ATOM 453 CE LYS A 33 -5.062 -10.133 -18.869 1.00 0.00 C ATOM 454 NZ LYS A 33 -6.391 -10.320 -18.236 1.00 0.00 N ATOM 0 H LYS A 33 -0.367 -10.280 -17.340 1.00 0.00 H new ATOM 0 HA LYS A 33 -0.908 -9.956 -20.081 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -2.606 -10.208 -18.302 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -2.147 -8.657 -17.627 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -2.981 -7.469 -19.552 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -3.180 -8.952 -20.465 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -4.697 -8.241 -17.919 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -5.338 -8.112 -19.546 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -5.085 -10.536 -19.881 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -4.316 -10.703 -18.316 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -6.863 -11.145 -18.657 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -6.270 -10.474 -17.215 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -6.972 -9.472 -18.392 1.00 0.00 H new ATOM 468 N LYS A 34 0.281 -7.292 -18.552 1.00 0.00 N ATOM 469 CA LYS A 34 0.873 -5.978 -18.791 1.00 0.00 C ATOM 470 C LYS A 34 2.026 -6.072 -19.783 1.00 0.00 C ATOM 471 O LYS A 34 2.236 -5.164 -20.585 1.00 0.00 O ATOM 472 CB LYS A 34 1.368 -5.350 -17.484 1.00 0.00 C ATOM 473 CG LYS A 34 0.249 -4.936 -16.538 1.00 0.00 C ATOM 474 CD LYS A 34 -0.625 -3.848 -17.136 1.00 0.00 C ATOM 475 CE LYS A 34 0.162 -2.570 -17.383 1.00 0.00 C ATOM 476 NZ LYS A 34 -0.693 -1.491 -17.936 1.00 0.00 N ATOM 0 H LYS A 34 0.328 -7.607 -17.583 1.00 0.00 H new ATOM 0 HA LYS A 34 0.095 -5.342 -19.213 1.00 0.00 H new ATOM 0 HB2 LYS A 34 2.018 -6.061 -16.974 1.00 0.00 H new ATOM 0 HB3 LYS A 34 1.974 -4.475 -17.719 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -0.365 -5.805 -16.300 1.00 0.00 H new ATOM 0 HG3 LYS A 34 0.678 -4.582 -15.601 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -1.053 -4.199 -18.075 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -1.458 -3.639 -16.464 1.00 0.00 H new ATOM 0 HE2 LYS A 34 0.611 -2.234 -16.448 1.00 0.00 H new ATOM 0 HE3 LYS A 34 0.980 -2.775 -18.074 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -0.119 -0.638 -18.090 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -1.102 -1.801 -18.841 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -1.459 -1.277 -17.266 1.00 0.00 H new ATOM 490 N HIS A 35 2.767 -7.169 -19.728 1.00 0.00 N ATOM 491 CA HIS A 35 3.871 -7.378 -20.657 1.00 0.00 C ATOM 492 C HIS A 35 3.341 -7.789 -22.033 1.00 0.00 C ATOM 493 O HIS A 35 3.806 -7.296 -23.060 1.00 0.00 O ATOM 494 CB HIS A 35 4.832 -8.444 -20.114 1.00 0.00 C ATOM 495 CG HIS A 35 6.083 -8.601 -20.919 1.00 0.00 C ATOM 496 ND1 HIS A 35 6.377 -9.737 -21.638 1.00 0.00 N ATOM 497 CD2 HIS A 35 7.137 -7.771 -21.090 1.00 0.00 C ATOM 498 CE1 HIS A 35 7.555 -9.598 -22.217 1.00 0.00 C ATOM 499 NE2 HIS A 35 8.038 -8.412 -21.898 1.00 0.00 N ATOM 0 H HIS A 35 2.627 -7.924 -19.056 1.00 0.00 H new ATOM 0 HA HIS A 35 4.417 -6.440 -20.762 1.00 0.00 H new ATOM 0 HB2 HIS A 35 5.101 -8.188 -19.089 1.00 0.00 H new ATOM 0 HB3 HIS A 35 4.313 -9.402 -20.077 1.00 0.00 H new ATOM 0 HD2 HIS A 35 7.248 -6.784 -20.667 1.00 0.00 H new ATOM 0 HE1 HIS A 35 8.041 -10.330 -22.845 1.00 0.00 H new ATOM 0 HE2 HIS A 35 8.935 -8.035 -22.203 1.00 0.00 H new ATOM 508 N ALA A 36 2.377 -8.704 -22.042 1.00 0.00 N ATOM 509 CA ALA A 36 1.766 -9.180 -23.281 1.00 0.00 C ATOM 510 C ALA A 36 1.063 -8.055 -24.043 1.00 0.00 C ATOM 511 O ALA A 36 1.415 -7.744 -25.183 1.00 0.00 O ATOM 512 CB ALA A 36 0.789 -10.309 -22.986 1.00 0.00 C ATOM 0 H ALA A 36 1.999 -9.135 -21.198 1.00 0.00 H new ATOM 0 HA ALA A 36 2.567 -9.554 -23.918 1.00 0.00 H new ATOM 0 HB1 ALA A 36 0.341 -10.655 -23.917 1.00 0.00 H new ATOM 0 HB2 ALA A 36 1.319 -11.134 -22.510 1.00 0.00 H new ATOM 0 HB3 ALA A 36 0.006 -9.948 -22.319 1.00 0.00 H new ATOM 518 N SER A 37 0.076 -7.441 -23.403 1.00 0.00 N ATOM 519 CA SER A 37 -0.734 -6.408 -24.040 1.00 0.00 C ATOM 520 C SER A 37 0.035 -5.100 -24.165 1.00 0.00 C ATOM 521 O SER A 37 -0.193 -4.318 -25.092 1.00 0.00 O ATOM 522 CB SER A 37 -2.009 -6.177 -23.230 1.00 0.00 C ATOM 523 OG SER A 37 -2.757 -7.374 -23.085 1.00 0.00 O ATOM 0 H SER A 37 -0.185 -7.641 -22.437 1.00 0.00 H new ATOM 0 HA SER A 37 -0.990 -6.751 -25.043 1.00 0.00 H new ATOM 0 HB2 SER A 37 -1.750 -5.787 -22.246 1.00 0.00 H new ATOM 0 HB3 SER A 37 -2.622 -5.421 -23.721 1.00 0.00 H new ATOM 0 HG SER A 37 -3.565 -7.193 -22.561 1.00 0.00 H new ATOM 708 N PHE A 50 -1.492 10.197 -10.841 1.00 0.00 N ATOM 709 CA PHE A 50 -1.261 9.081 -9.936 1.00 0.00 C ATOM 710 C PHE A 50 0.222 8.761 -9.858 1.00 0.00 C ATOM 711 O PHE A 50 0.790 8.146 -10.760 1.00 0.00 O ATOM 712 CB PHE A 50 -2.041 7.846 -10.384 1.00 0.00 C ATOM 713 CG PHE A 50 -3.524 7.962 -10.174 1.00 0.00 C ATOM 714 CD1 PHE A 50 -4.329 8.557 -11.135 1.00 0.00 C ATOM 715 CD2 PHE A 50 -4.109 7.478 -9.018 1.00 0.00 C ATOM 716 CE1 PHE A 50 -5.693 8.664 -10.943 1.00 0.00 C ATOM 717 CE2 PHE A 50 -5.471 7.582 -8.821 1.00 0.00 C ATOM 718 CZ PHE A 50 -6.264 8.176 -9.785 1.00 0.00 C ATOM 0 HA PHE A 50 -1.613 9.370 -8.946 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -1.845 7.667 -11.441 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -1.672 6.977 -9.840 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -3.885 8.940 -12.042 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -3.494 7.014 -8.262 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -6.311 9.128 -11.697 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -5.917 7.200 -7.915 1.00 0.00 H new ATOM 0 HZ PHE A 50 -7.330 8.258 -9.632 1.00 0.00 H new ATOM 728 N ARG A 51 0.841 9.205 -8.781 1.00 0.00 N ATOM 729 CA ARG A 51 2.262 8.993 -8.567 1.00 0.00 C ATOM 730 C ARG A 51 2.485 7.766 -7.700 1.00 0.00 C ATOM 731 O ARG A 51 1.954 7.675 -6.592 1.00 0.00 O ATOM 732 CB ARG A 51 2.884 10.223 -7.908 1.00 0.00 C ATOM 733 CG ARG A 51 2.871 11.457 -8.795 1.00 0.00 C ATOM 734 CD ARG A 51 3.340 12.694 -8.043 1.00 0.00 C ATOM 735 NE ARG A 51 2.376 13.114 -7.023 1.00 0.00 N ATOM 736 CZ ARG A 51 1.637 14.223 -7.111 1.00 0.00 C ATOM 737 NH1 ARG A 51 1.778 15.043 -8.144 1.00 0.00 N ATOM 738 NH2 ARG A 51 0.773 14.521 -6.147 1.00 0.00 N ATOM 0 H ARG A 51 0.377 9.720 -8.033 1.00 0.00 H new ATOM 0 HA ARG A 51 2.741 8.831 -9.533 1.00 0.00 H new ATOM 0 HB2 ARG A 51 2.346 10.442 -6.986 1.00 0.00 H new ATOM 0 HB3 ARG A 51 3.913 9.995 -7.630 1.00 0.00 H new ATOM 0 HG2 ARG A 51 3.514 11.291 -9.659 1.00 0.00 H new ATOM 0 HG3 ARG A 51 1.863 11.622 -9.175 1.00 0.00 H new ATOM 0 HD2 ARG A 51 4.301 12.489 -7.571 1.00 0.00 H new ATOM 0 HD3 ARG A 51 3.499 13.509 -8.749 1.00 0.00 H new ATOM 0 HE ARG A 51 2.263 12.525 -6.198 1.00 0.00 H new ATOM 0 HH11 ARG A 51 2.454 14.828 -8.877 1.00 0.00 H new ATOM 0 HH12 ARG A 51 1.211 15.888 -8.205 1.00 0.00 H new ATOM 0 HH21 ARG A 51 0.675 13.903 -5.341 1.00 0.00 H new ATOM 0 HH22 ARG A 51 0.208 15.368 -6.213 1.00 0.00 H new ATOM 752 N LEU A 52 3.256 6.820 -8.210 1.00 0.00 N ATOM 753 CA LEU A 52 3.593 5.628 -7.452 1.00 0.00 C ATOM 754 C LEU A 52 4.627 5.963 -6.393 1.00 0.00 C ATOM 755 O LEU A 52 5.782 6.258 -6.704 1.00 0.00 O ATOM 756 CB LEU A 52 4.120 4.525 -8.372 1.00 0.00 C ATOM 757 CG LEU A 52 4.513 3.219 -7.671 1.00 0.00 C ATOM 758 CD1 LEU A 52 3.327 2.631 -6.922 1.00 0.00 C ATOM 759 CD2 LEU A 52 5.063 2.219 -8.678 1.00 0.00 C ATOM 0 H LEU A 52 3.660 6.855 -9.146 1.00 0.00 H new ATOM 0 HA LEU A 52 2.688 5.262 -6.967 1.00 0.00 H new ATOM 0 HB2 LEU A 52 3.358 4.302 -9.118 1.00 0.00 H new ATOM 0 HB3 LEU A 52 4.989 4.906 -8.908 1.00 0.00 H new ATOM 0 HG LEU A 52 5.295 3.441 -6.945 1.00 0.00 H new ATOM 0 HD11 LEU A 52 3.629 1.705 -6.432 1.00 0.00 H new ATOM 0 HD12 LEU A 52 2.982 3.342 -6.172 1.00 0.00 H new ATOM 0 HD13 LEU A 52 2.520 2.424 -7.624 1.00 0.00 H new ATOM 0 HD21 LEU A 52 5.337 1.298 -8.164 1.00 0.00 H new ATOM 0 HD22 LEU A 52 4.303 2.003 -9.429 1.00 0.00 H new ATOM 0 HD23 LEU A 52 5.944 2.639 -9.164 1.00 0.00 H new ATOM 771 N VAL A 53 4.202 5.941 -5.140 1.00 0.00 N ATOM 772 CA VAL A 53 5.084 6.267 -4.035 1.00 0.00 C ATOM 773 C VAL A 53 5.968 5.075 -3.692 1.00 0.00 C ATOM 774 O VAL A 53 7.187 5.128 -3.848 1.00 0.00 O ATOM 775 CB VAL A 53 4.286 6.705 -2.787 1.00 0.00 C ATOM 776 CG1 VAL A 53 5.217 7.167 -1.679 1.00 0.00 C ATOM 777 CG2 VAL A 53 3.297 7.800 -3.147 1.00 0.00 C ATOM 0 H VAL A 53 3.250 5.700 -4.864 1.00 0.00 H new ATOM 0 HA VAL A 53 5.711 7.102 -4.348 1.00 0.00 H new ATOM 0 HB VAL A 53 3.730 5.843 -2.420 1.00 0.00 H new ATOM 0 HG11 VAL A 53 4.629 7.470 -0.812 1.00 0.00 H new ATOM 0 HG12 VAL A 53 5.882 6.350 -1.399 1.00 0.00 H new ATOM 0 HG13 VAL A 53 5.808 8.013 -2.030 1.00 0.00 H new ATOM 0 HG21 VAL A 53 2.743 8.097 -2.257 1.00 0.00 H new ATOM 0 HG22 VAL A 53 3.836 8.661 -3.543 1.00 0.00 H new ATOM 0 HG23 VAL A 53 2.602 7.429 -3.900 1.00 0.00 H new ATOM 787 N ALA A 54 5.353 3.992 -3.246 1.00 0.00 N ATOM 788 CA ALA A 54 6.099 2.803 -2.874 1.00 0.00 C ATOM 789 C ALA A 54 5.368 1.542 -3.300 1.00 0.00 C ATOM 790 O ALA A 54 4.141 1.539 -3.440 1.00 0.00 O ATOM 791 CB ALA A 54 6.351 2.774 -1.375 1.00 0.00 C ATOM 0 H ALA A 54 4.342 3.912 -3.133 1.00 0.00 H new ATOM 0 HA ALA A 54 7.057 2.838 -3.393 1.00 0.00 H new ATOM 0 HB1 ALA A 54 6.911 1.875 -1.118 1.00 0.00 H new ATOM 0 HB2 ALA A 54 6.925 3.654 -1.085 1.00 0.00 H new ATOM 0 HB3 ALA A 54 5.398 2.772 -0.846 1.00 0.00 H new ATOM 797 N THR A 55 6.127 0.485 -3.526 1.00 0.00 N ATOM 798 CA THR A 55 5.563 -0.806 -3.861 1.00 0.00 C ATOM 799 C THR A 55 6.232 -1.902 -3.037 1.00 0.00 C ATOM 800 O THR A 55 7.413 -2.208 -3.230 1.00 0.00 O ATOM 801 CB THR A 55 5.736 -1.120 -5.357 1.00 0.00 C ATOM 802 OG1 THR A 55 5.299 -0.007 -6.148 1.00 0.00 O ATOM 803 CG2 THR A 55 4.945 -2.359 -5.741 1.00 0.00 C ATOM 0 H THR A 55 7.146 0.499 -3.482 1.00 0.00 H new ATOM 0 HA THR A 55 4.498 -0.771 -3.633 1.00 0.00 H new ATOM 0 HB THR A 55 6.793 -1.306 -5.546 1.00 0.00 H new ATOM 0 HG1 THR A 55 4.684 -0.321 -6.843 1.00 0.00 H new ATOM 0 HG21 THR A 55 5.081 -2.563 -6.803 1.00 0.00 H new ATOM 0 HG22 THR A 55 5.298 -3.211 -5.160 1.00 0.00 H new ATOM 0 HG23 THR A 55 3.887 -2.193 -5.536 1.00 0.00 H new ATOM 811 N TRP A 56 5.481 -2.481 -2.118 1.00 0.00 N ATOM 812 CA TRP A 56 5.997 -3.537 -1.262 1.00 0.00 C ATOM 813 C TRP A 56 5.565 -4.896 -1.799 1.00 0.00 C ATOM 814 O TRP A 56 4.532 -5.007 -2.455 1.00 0.00 O ATOM 815 CB TRP A 56 5.492 -3.356 0.172 1.00 0.00 C ATOM 816 CG TRP A 56 5.902 -2.055 0.802 1.00 0.00 C ATOM 817 CD1 TRP A 56 7.068 -1.801 1.463 1.00 0.00 C ATOM 818 CD2 TRP A 56 5.142 -0.838 0.844 1.00 0.00 C ATOM 819 NE1 TRP A 56 7.083 -0.501 1.911 1.00 0.00 N ATOM 820 CE2 TRP A 56 5.913 0.111 1.545 1.00 0.00 C ATOM 821 CE3 TRP A 56 3.889 -0.459 0.358 1.00 0.00 C ATOM 822 CZ2 TRP A 56 5.468 1.413 1.769 1.00 0.00 C ATOM 823 CZ3 TRP A 56 3.449 0.832 0.581 1.00 0.00 C ATOM 824 CH2 TRP A 56 4.235 1.755 1.283 1.00 0.00 C ATOM 0 H TRP A 56 4.506 -2.237 -1.944 1.00 0.00 H new ATOM 0 HA TRP A 56 7.086 -3.484 -1.257 1.00 0.00 H new ATOM 0 HB2 TRP A 56 4.404 -3.423 0.175 1.00 0.00 H new ATOM 0 HB3 TRP A 56 5.863 -4.178 0.784 1.00 0.00 H new ATOM 0 HD1 TRP A 56 7.863 -2.516 1.613 1.00 0.00 H new ATOM 0 HE1 TRP A 56 7.843 -0.063 2.432 1.00 0.00 H new ATOM 0 HE3 TRP A 56 3.274 -1.163 -0.183 1.00 0.00 H new ATOM 0 HZ2 TRP A 56 6.075 2.126 2.307 1.00 0.00 H new ATOM 0 HZ3 TRP A 56 2.482 1.135 0.207 1.00 0.00 H new ATOM 0 HH2 TRP A 56 3.861 2.755 1.444 1.00 0.00 H new ATOM 835 N ALA A 57 6.362 -5.919 -1.544 1.00 0.00 N ATOM 836 CA ALA A 57 6.043 -7.261 -2.003 1.00 0.00 C ATOM 837 C ALA A 57 6.207 -8.265 -0.874 1.00 0.00 C ATOM 838 O ALA A 57 7.312 -8.477 -0.373 1.00 0.00 O ATOM 839 CB ALA A 57 6.920 -7.639 -3.185 1.00 0.00 C ATOM 0 H ALA A 57 7.235 -5.847 -1.022 1.00 0.00 H new ATOM 0 HA ALA A 57 5.002 -7.277 -2.326 1.00 0.00 H new ATOM 0 HB1 ALA A 57 6.669 -8.646 -3.517 1.00 0.00 H new ATOM 0 HB2 ALA A 57 6.753 -6.936 -4.001 1.00 0.00 H new ATOM 0 HB3 ALA A 57 7.968 -7.606 -2.886 1.00 0.00 H new ATOM 845 N PHE A 58 5.105 -8.866 -0.463 1.00 0.00 N ATOM 846 CA PHE A 58 5.129 -9.850 0.606 1.00 0.00 C ATOM 847 C PHE A 58 4.806 -11.229 0.055 1.00 0.00 C ATOM 848 O PHE A 58 3.845 -11.395 -0.693 1.00 0.00 O ATOM 849 CB PHE A 58 4.134 -9.482 1.710 1.00 0.00 C ATOM 850 CG PHE A 58 4.392 -8.135 2.326 1.00 0.00 C ATOM 851 CD1 PHE A 58 5.315 -7.993 3.347 1.00 0.00 C ATOM 852 CD2 PHE A 58 3.715 -7.014 1.880 1.00 0.00 C ATOM 853 CE1 PHE A 58 5.560 -6.756 3.911 1.00 0.00 C ATOM 854 CE2 PHE A 58 3.957 -5.773 2.439 1.00 0.00 C ATOM 855 CZ PHE A 58 4.881 -5.644 3.457 1.00 0.00 C ATOM 0 H PHE A 58 4.180 -8.690 -0.854 1.00 0.00 H new ATOM 0 HA PHE A 58 6.131 -9.862 1.036 1.00 0.00 H new ATOM 0 HB2 PHE A 58 3.125 -9.497 1.298 1.00 0.00 H new ATOM 0 HB3 PHE A 58 4.171 -10.242 2.490 1.00 0.00 H new ATOM 0 HD1 PHE A 58 5.850 -8.859 3.707 1.00 0.00 H new ATOM 0 HD2 PHE A 58 2.989 -7.109 1.086 1.00 0.00 H new ATOM 0 HE1 PHE A 58 6.283 -6.659 4.707 1.00 0.00 H new ATOM 0 HE2 PHE A 58 3.424 -4.905 2.080 1.00 0.00 H new ATOM 0 HZ PHE A 58 5.072 -4.676 3.896 1.00 0.00 H new ATOM 865 N PRO A 59 5.607 -12.238 0.410 1.00 0.00 N ATOM 866 CA PRO A 59 5.390 -13.611 -0.033 1.00 0.00 C ATOM 867 C PRO A 59 4.384 -14.354 0.843 1.00 0.00 C ATOM 868 O PRO A 59 4.038 -15.503 0.564 1.00 0.00 O ATOM 869 CB PRO A 59 6.779 -14.228 0.097 1.00 0.00 C ATOM 870 CG PRO A 59 7.410 -13.503 1.238 1.00 0.00 C ATOM 871 CD PRO A 59 6.808 -12.119 1.263 1.00 0.00 C ATOM 0 HA PRO A 59 4.972 -13.663 -1.038 1.00 0.00 H new ATOM 0 HB2 PRO A 59 6.720 -15.299 0.292 1.00 0.00 H new ATOM 0 HB3 PRO A 59 7.356 -14.102 -0.819 1.00 0.00 H new ATOM 0 HG2 PRO A 59 7.222 -14.023 2.177 1.00 0.00 H new ATOM 0 HG3 PRO A 59 8.492 -13.452 1.113 1.00 0.00 H new ATOM 0 HD2 PRO A 59 6.549 -11.814 2.277 1.00 0.00 H new ATOM 0 HD3 PRO A 59 7.502 -11.374 0.874 1.00 0.00 H new ATOM 879 N SER A 60 3.911 -13.694 1.894 1.00 0.00 N ATOM 880 CA SER A 60 2.991 -14.313 2.829 1.00 0.00 C ATOM 881 C SER A 60 1.649 -13.584 2.824 1.00 0.00 C ATOM 882 O SER A 60 1.599 -12.354 2.938 1.00 0.00 O ATOM 883 CB SER A 60 3.591 -14.300 4.233 1.00 0.00 C ATOM 884 OG SER A 60 4.887 -14.879 4.246 1.00 0.00 O ATOM 0 H SER A 60 4.153 -12.728 2.117 1.00 0.00 H new ATOM 0 HA SER A 60 2.823 -15.345 2.522 1.00 0.00 H new ATOM 0 HB2 SER A 60 3.645 -13.274 4.598 1.00 0.00 H new ATOM 0 HB3 SER A 60 2.939 -14.847 4.914 1.00 0.00 H new ATOM 0 HG SER A 60 5.247 -14.855 5.157 1.00 0.00 H new ATOM 890 N LYS A 61 0.574 -14.347 2.671 1.00 0.00 N ATOM 891 CA LYS A 61 -0.780 -13.800 2.639 1.00 0.00 C ATOM 892 C LYS A 61 -1.130 -13.068 3.934 1.00 0.00 C ATOM 893 O LYS A 61 -1.487 -11.889 3.908 1.00 0.00 O ATOM 894 CB LYS A 61 -1.792 -14.922 2.389 1.00 0.00 C ATOM 895 CG LYS A 61 -3.240 -14.458 2.396 1.00 0.00 C ATOM 896 CD LYS A 61 -4.195 -15.633 2.294 1.00 0.00 C ATOM 897 CE LYS A 61 -5.640 -15.192 2.446 1.00 0.00 C ATOM 898 NZ LYS A 61 -6.570 -16.348 2.496 1.00 0.00 N ATOM 0 H LYS A 61 0.614 -15.361 2.566 1.00 0.00 H new ATOM 0 HA LYS A 61 -0.823 -13.076 1.825 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -1.574 -15.387 1.427 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -1.663 -15.691 3.151 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -3.441 -13.901 3.311 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -3.410 -13.775 1.563 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -4.064 -16.127 1.331 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -3.955 -16.366 3.064 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -5.745 -14.602 3.356 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -5.911 -14.544 1.613 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -7.546 -16.004 2.600 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -6.488 -16.897 1.617 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -6.328 -16.953 3.306 1.00 0.00 H new ATOM 912 N GLU A 62 -1.019 -13.764 5.059 1.00 0.00 N ATOM 913 CA GLU A 62 -1.450 -13.219 6.346 1.00 0.00 C ATOM 914 C GLU A 62 -0.592 -12.029 6.783 1.00 0.00 C ATOM 915 O GLU A 62 -1.100 -11.102 7.419 1.00 0.00 O ATOM 916 CB GLU A 62 -1.506 -14.311 7.432 1.00 0.00 C ATOM 917 CG GLU A 62 -0.550 -15.483 7.232 1.00 0.00 C ATOM 918 CD GLU A 62 0.903 -15.089 7.353 1.00 0.00 C ATOM 919 OE1 GLU A 62 1.480 -14.636 6.347 1.00 0.00 O ATOM 920 OE2 GLU A 62 1.466 -15.229 8.461 1.00 0.00 O ATOM 0 H GLU A 62 -0.634 -14.707 5.109 1.00 0.00 H new ATOM 0 HA GLU A 62 -2.464 -12.843 6.210 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -1.293 -13.851 8.397 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -2.524 -14.699 7.481 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -0.773 -16.256 7.967 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -0.721 -15.920 6.248 1.00 0.00 H new ATOM 927 N GLU A 63 0.691 -12.047 6.437 1.00 0.00 N ATOM 928 CA GLU A 63 1.565 -10.907 6.686 1.00 0.00 C ATOM 929 C GLU A 63 0.999 -9.655 6.033 1.00 0.00 C ATOM 930 O GLU A 63 0.784 -8.635 6.687 1.00 0.00 O ATOM 931 CB GLU A 63 2.966 -11.177 6.134 1.00 0.00 C ATOM 932 CG GLU A 63 3.749 -12.212 6.917 1.00 0.00 C ATOM 933 CD GLU A 63 4.157 -11.722 8.287 1.00 0.00 C ATOM 934 OE1 GLU A 63 5.112 -10.919 8.372 1.00 0.00 O ATOM 935 OE2 GLU A 63 3.545 -12.150 9.285 1.00 0.00 O ATOM 0 H GLU A 63 1.148 -12.838 5.984 1.00 0.00 H new ATOM 0 HA GLU A 63 1.628 -10.755 7.764 1.00 0.00 H new ATOM 0 HB2 GLU A 63 2.880 -11.508 5.099 1.00 0.00 H new ATOM 0 HB3 GLU A 63 3.528 -10.243 6.124 1.00 0.00 H new ATOM 0 HG2 GLU A 63 3.146 -13.114 7.023 1.00 0.00 H new ATOM 0 HG3 GLU A 63 4.641 -12.489 6.354 1.00 0.00 H new ATOM 942 N ALA A 64 0.727 -9.762 4.741 1.00 0.00 N ATOM 943 CA ALA A 64 0.217 -8.640 3.969 1.00 0.00 C ATOM 944 C ALA A 64 -1.219 -8.300 4.360 1.00 0.00 C ATOM 945 O ALA A 64 -1.675 -7.178 4.159 1.00 0.00 O ATOM 946 CB ALA A 64 0.311 -8.947 2.483 1.00 0.00 C ATOM 0 H ALA A 64 0.852 -10.620 4.203 1.00 0.00 H new ATOM 0 HA ALA A 64 0.831 -7.767 4.190 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -0.073 -8.102 1.912 1.00 0.00 H new ATOM 0 HB2 ALA A 64 1.352 -9.124 2.213 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -0.279 -9.835 2.257 1.00 0.00 H new ATOM 952 N MET A 65 -1.923 -9.270 4.925 1.00 0.00 N ATOM 953 CA MET A 65 -3.304 -9.068 5.339 1.00 0.00 C ATOM 954 C MET A 65 -3.385 -8.117 6.527 1.00 0.00 C ATOM 955 O MET A 65 -4.128 -7.136 6.495 1.00 0.00 O ATOM 956 CB MET A 65 -3.956 -10.407 5.691 1.00 0.00 C ATOM 957 CG MET A 65 -5.393 -10.277 6.163 1.00 0.00 C ATOM 958 SD MET A 65 -6.165 -11.876 6.469 1.00 0.00 S ATOM 959 CE MET A 65 -6.113 -12.587 4.824 1.00 0.00 C ATOM 0 H MET A 65 -1.560 -10.206 5.107 1.00 0.00 H new ATOM 0 HA MET A 65 -3.844 -8.620 4.505 1.00 0.00 H new ATOM 0 HB2 MET A 65 -3.927 -11.057 4.816 1.00 0.00 H new ATOM 0 HB3 MET A 65 -3.369 -10.894 6.470 1.00 0.00 H new ATOM 0 HG2 MET A 65 -5.420 -9.683 7.077 1.00 0.00 H new ATOM 0 HG3 MET A 65 -5.971 -9.735 5.414 1.00 0.00 H new ATOM 0 HE1 MET A 65 -6.880 -13.356 4.736 1.00 0.00 H new ATOM 0 HE2 MET A 65 -6.295 -11.807 4.085 1.00 0.00 H new ATOM 0 HE3 MET A 65 -5.133 -13.030 4.650 1.00 0.00 H new ATOM 969 N ARG A 66 -2.616 -8.404 7.572 1.00 0.00 N ATOM 970 CA ARG A 66 -2.591 -7.544 8.751 1.00 0.00 C ATOM 971 C ARG A 66 -2.004 -6.191 8.376 1.00 0.00 C ATOM 972 O ARG A 66 -2.472 -5.145 8.825 1.00 0.00 O ATOM 973 CB ARG A 66 -1.756 -8.171 9.871 1.00 0.00 C ATOM 974 CG ARG A 66 -2.121 -9.612 10.177 1.00 0.00 C ATOM 975 CD ARG A 66 -1.345 -10.149 11.372 1.00 0.00 C ATOM 976 NE ARG A 66 0.091 -9.876 11.280 1.00 0.00 N ATOM 977 CZ ARG A 66 0.989 -10.706 10.741 1.00 0.00 C ATOM 978 NH1 ARG A 66 0.615 -11.882 10.255 1.00 0.00 N ATOM 979 NH2 ARG A 66 2.269 -10.369 10.712 1.00 0.00 N ATOM 0 H ARG A 66 -2.006 -9.219 7.628 1.00 0.00 H new ATOM 0 HA ARG A 66 -3.612 -7.422 9.112 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -0.702 -8.124 9.595 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -1.875 -7.576 10.776 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -3.190 -9.682 10.377 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -1.919 -10.232 9.304 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -1.738 -9.703 12.286 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -1.502 -11.225 11.449 1.00 0.00 H new ATOM 0 HE ARG A 66 0.430 -8.989 11.654 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -0.366 -12.160 10.291 1.00 0.00 H new ATOM 0 HH12 ARG A 66 1.308 -12.508 9.846 1.00 0.00 H new ATOM 0 HH21 ARG A 66 2.570 -9.476 11.101 1.00 0.00 H new ATOM 0 HH22 ARG A 66 2.954 -11.003 10.301 1.00 0.00 H new ATOM 993 N TRP A 67 -0.982 -6.255 7.529 1.00 0.00 N ATOM 994 CA TRP A 67 -0.290 -5.086 7.006 1.00 0.00 C ATOM 995 C TRP A 67 -1.260 -4.101 6.340 1.00 0.00 C ATOM 996 O TRP A 67 -1.470 -2.993 6.832 1.00 0.00 O ATOM 997 CB TRP A 67 0.786 -5.578 6.014 1.00 0.00 C ATOM 998 CG TRP A 67 1.029 -4.690 4.842 1.00 0.00 C ATOM 999 CD1 TRP A 67 0.521 -4.846 3.590 1.00 0.00 C ATOM 1000 CD2 TRP A 67 1.853 -3.534 4.799 1.00 0.00 C ATOM 1001 NE1 TRP A 67 0.958 -3.836 2.784 1.00 0.00 N ATOM 1002 CE2 TRP A 67 1.787 -3.026 3.495 1.00 0.00 C ATOM 1003 CE3 TRP A 67 2.632 -2.881 5.739 1.00 0.00 C ATOM 1004 CZ2 TRP A 67 2.476 -1.892 3.103 1.00 0.00 C ATOM 1005 CZ3 TRP A 67 3.327 -1.747 5.353 1.00 0.00 C ATOM 1006 CH2 TRP A 67 3.243 -1.268 4.037 1.00 0.00 C ATOM 0 H TRP A 67 -0.606 -7.137 7.182 1.00 0.00 H new ATOM 0 HA TRP A 67 0.178 -4.539 7.824 1.00 0.00 H new ATOM 0 HB2 TRP A 67 1.724 -5.703 6.554 1.00 0.00 H new ATOM 0 HB3 TRP A 67 0.495 -6.563 5.648 1.00 0.00 H new ATOM 0 HD1 TRP A 67 -0.131 -5.649 3.280 1.00 0.00 H new ATOM 0 HE1 TRP A 67 0.704 -3.709 1.804 1.00 0.00 H new ATOM 0 HE3 TRP A 67 2.696 -3.248 6.753 1.00 0.00 H new ATOM 0 HZ2 TRP A 67 2.407 -1.516 2.093 1.00 0.00 H new ATOM 0 HZ3 TRP A 67 3.940 -1.226 6.073 1.00 0.00 H new ATOM 0 HH2 TRP A 67 3.799 -0.385 3.760 1.00 0.00 H new ATOM 1017 N GLU A 68 -1.857 -4.536 5.241 1.00 0.00 N ATOM 1018 CA GLU A 68 -2.687 -3.682 4.388 1.00 0.00 C ATOM 1019 C GLU A 68 -3.867 -3.104 5.163 1.00 0.00 C ATOM 1020 O GLU A 68 -4.179 -1.916 5.045 1.00 0.00 O ATOM 1021 CB GLU A 68 -3.165 -4.495 3.180 1.00 0.00 C ATOM 1022 CG GLU A 68 -3.373 -3.685 1.911 1.00 0.00 C ATOM 1023 CD GLU A 68 -4.639 -2.859 1.932 1.00 0.00 C ATOM 1024 OE1 GLU A 68 -5.739 -3.447 1.869 1.00 0.00 O ATOM 1025 OE2 GLU A 68 -4.547 -1.615 1.997 1.00 0.00 O ATOM 0 H GLU A 68 -1.782 -5.497 4.909 1.00 0.00 H new ATOM 0 HA GLU A 68 -2.091 -2.838 4.041 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -2.438 -5.281 2.978 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -4.103 -4.987 3.438 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -2.518 -3.024 1.765 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -3.402 -4.361 1.057 1.00 0.00 H new ATOM 1032 N TYR A 69 -4.502 -3.941 5.973 1.00 0.00 N ATOM 1033 CA TYR A 69 -5.627 -3.505 6.795 1.00 0.00 C ATOM 1034 C TYR A 69 -5.224 -2.316 7.669 1.00 0.00 C ATOM 1035 O TYR A 69 -5.962 -1.326 7.789 1.00 0.00 O ATOM 1036 CB TYR A 69 -6.120 -4.658 7.679 1.00 0.00 C ATOM 1037 CG TYR A 69 -7.350 -4.326 8.499 1.00 0.00 C ATOM 1038 CD1 TYR A 69 -8.627 -4.528 7.985 1.00 0.00 C ATOM 1039 CD2 TYR A 69 -7.234 -3.809 9.785 1.00 0.00 C ATOM 1040 CE1 TYR A 69 -9.750 -4.225 8.728 1.00 0.00 C ATOM 1041 CE2 TYR A 69 -8.354 -3.504 10.533 1.00 0.00 C ATOM 1042 CZ TYR A 69 -9.608 -3.713 10.000 1.00 0.00 C ATOM 1043 OH TYR A 69 -10.723 -3.409 10.743 1.00 0.00 O ATOM 0 H TYR A 69 -4.259 -4.926 6.080 1.00 0.00 H new ATOM 0 HA TYR A 69 -6.435 -3.196 6.132 1.00 0.00 H new ATOM 0 HB2 TYR A 69 -6.339 -5.518 7.047 1.00 0.00 H new ATOM 0 HB3 TYR A 69 -5.316 -4.954 8.353 1.00 0.00 H new ATOM 0 HD1 TYR A 69 -8.741 -4.928 6.988 1.00 0.00 H new ATOM 0 HD2 TYR A 69 -6.253 -3.644 10.205 1.00 0.00 H new ATOM 0 HE1 TYR A 69 -10.735 -4.388 8.315 1.00 0.00 H new ATOM 0 HE2 TYR A 69 -8.248 -3.104 11.530 1.00 0.00 H new ATOM 0 HH TYR A 69 -10.449 -3.059 11.616 1.00 0.00 H new ATOM 1053 N GLU A 70 -4.045 -2.409 8.266 1.00 0.00 N ATOM 1054 CA GLU A 70 -3.552 -1.355 9.130 1.00 0.00 C ATOM 1055 C GLU A 70 -3.096 -0.144 8.329 1.00 0.00 C ATOM 1056 O GLU A 70 -3.277 0.980 8.772 1.00 0.00 O ATOM 1057 CB GLU A 70 -2.427 -1.867 10.030 1.00 0.00 C ATOM 1058 CG GLU A 70 -2.931 -2.747 11.160 1.00 0.00 C ATOM 1059 CD GLU A 70 -1.828 -3.229 12.077 1.00 0.00 C ATOM 1060 OE1 GLU A 70 -0.890 -2.457 12.349 1.00 0.00 O ATOM 1061 OE2 GLU A 70 -1.911 -4.385 12.555 1.00 0.00 O ATOM 0 H GLU A 70 -3.415 -3.205 8.166 1.00 0.00 H new ATOM 0 HA GLU A 70 -4.379 -1.038 9.765 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -1.714 -2.430 9.428 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -1.889 -1.017 10.450 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -3.664 -2.192 11.745 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -3.447 -3.610 10.738 1.00 0.00 H new ATOM 1068 N VAL A 71 -2.538 -0.371 7.144 1.00 0.00 N ATOM 1069 CA VAL A 71 -2.121 0.731 6.276 1.00 0.00 C ATOM 1070 C VAL A 71 -3.315 1.619 5.939 1.00 0.00 C ATOM 1071 O VAL A 71 -3.222 2.849 5.972 1.00 0.00 O ATOM 1072 CB VAL A 71 -1.473 0.224 4.972 1.00 0.00 C ATOM 1073 CG1 VAL A 71 -1.134 1.382 4.044 1.00 0.00 C ATOM 1074 CG2 VAL A 71 -0.222 -0.579 5.280 1.00 0.00 C ATOM 0 H VAL A 71 -2.364 -1.301 6.762 1.00 0.00 H new ATOM 0 HA VAL A 71 -1.374 1.308 6.822 1.00 0.00 H new ATOM 0 HB VAL A 71 -2.193 -0.420 4.468 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -0.678 0.996 3.132 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -2.045 1.925 3.793 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -0.436 2.055 4.542 1.00 0.00 H new ATOM 0 HG21 VAL A 71 0.224 -0.930 4.349 1.00 0.00 H new ATOM 0 HG22 VAL A 71 0.493 0.050 5.810 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -0.483 -1.435 5.902 1.00 0.00 H new ATOM 1084 N LYS A 72 -4.442 0.986 5.627 1.00 0.00 N ATOM 1085 CA LYS A 72 -5.685 1.710 5.402 1.00 0.00 C ATOM 1086 C LYS A 72 -6.066 2.525 6.632 1.00 0.00 C ATOM 1087 O LYS A 72 -6.455 3.686 6.522 1.00 0.00 O ATOM 1088 CB LYS A 72 -6.823 0.746 5.061 1.00 0.00 C ATOM 1089 CG LYS A 72 -6.836 0.290 3.615 1.00 0.00 C ATOM 1090 CD LYS A 72 -8.017 -0.632 3.344 1.00 0.00 C ATOM 1091 CE LYS A 72 -8.261 -0.815 1.854 1.00 0.00 C ATOM 1092 NZ LYS A 72 -7.065 -1.347 1.155 1.00 0.00 N ATOM 0 H LYS A 72 -4.518 -0.026 5.525 1.00 0.00 H new ATOM 0 HA LYS A 72 -5.525 2.385 4.561 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -6.749 -0.129 5.706 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -7.774 1.229 5.287 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -6.889 1.157 2.957 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -5.905 -0.228 3.385 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -7.833 -1.603 3.804 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -8.913 -0.222 3.811 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -9.100 -1.495 1.705 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -8.543 0.141 1.413 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -7.114 -1.100 0.146 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -6.207 -0.933 1.571 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -7.035 -2.382 1.257 1.00 0.00 H new ATOM 1106 N HIS A 73 -5.929 1.912 7.802 1.00 0.00 N ATOM 1107 CA HIS A 73 -6.348 2.544 9.051 1.00 0.00 C ATOM 1108 C HIS A 73 -5.296 3.519 9.581 1.00 0.00 C ATOM 1109 O HIS A 73 -5.562 4.275 10.517 1.00 0.00 O ATOM 1110 CB HIS A 73 -6.665 1.476 10.102 1.00 0.00 C ATOM 1111 CG HIS A 73 -7.952 0.747 9.849 1.00 0.00 C ATOM 1112 ND1 HIS A 73 -8.795 0.334 10.856 1.00 0.00 N ATOM 1113 CD2 HIS A 73 -8.542 0.360 8.691 1.00 0.00 C ATOM 1114 CE1 HIS A 73 -9.844 -0.271 10.333 1.00 0.00 C ATOM 1115 NE2 HIS A 73 -9.716 -0.267 9.020 1.00 0.00 N ATOM 0 H HIS A 73 -5.532 0.979 7.914 1.00 0.00 H new ATOM 0 HA HIS A 73 -7.249 3.121 8.842 1.00 0.00 H new ATOM 0 HB2 HIS A 73 -5.848 0.755 10.132 1.00 0.00 H new ATOM 0 HB3 HIS A 73 -6.711 1.947 11.084 1.00 0.00 H new ATOM 0 HD2 HIS A 73 -8.158 0.517 7.694 1.00 0.00 H new ATOM 0 HE1 HIS A 73 -10.668 -0.697 10.886 1.00 0.00 H new ATOM 0 HE2 HIS A 73 -10.382 -0.665 8.358 1.00 0.00 H new ATOM 1124 N LEU A 74 -4.108 3.500 8.993 1.00 0.00 N ATOM 1125 CA LEU A 74 -3.061 4.441 9.363 1.00 0.00 C ATOM 1126 C LEU A 74 -3.376 5.815 8.801 1.00 0.00 C ATOM 1127 O LEU A 74 -3.636 5.963 7.609 1.00 0.00 O ATOM 1128 CB LEU A 74 -1.692 3.973 8.852 1.00 0.00 C ATOM 1129 CG LEU A 74 -1.098 2.772 9.591 1.00 0.00 C ATOM 1130 CD1 LEU A 74 0.225 2.362 8.966 1.00 0.00 C ATOM 1131 CD2 LEU A 74 -0.916 3.085 11.069 1.00 0.00 C ATOM 0 H LEU A 74 -3.846 2.843 8.258 1.00 0.00 H new ATOM 0 HA LEU A 74 -3.022 4.493 10.451 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -1.783 3.721 7.795 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -0.992 4.805 8.922 1.00 0.00 H new ATOM 0 HG LEU A 74 -1.794 1.938 9.502 1.00 0.00 H new ATOM 0 HD11 LEU A 74 0.632 1.507 9.505 1.00 0.00 H new ATOM 0 HD12 LEU A 74 0.066 2.091 7.922 1.00 0.00 H new ATOM 0 HD13 LEU A 74 0.927 3.194 9.022 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -0.493 2.217 11.575 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -0.243 3.935 11.181 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -1.882 3.327 11.511 1.00 0.00 H new ATOM 1143 N SER A 75 -3.362 6.817 9.668 1.00 0.00 N ATOM 1144 CA SER A 75 -3.614 8.188 9.255 1.00 0.00 C ATOM 1145 C SER A 75 -2.546 8.653 8.266 1.00 0.00 C ATOM 1146 O SER A 75 -1.506 8.004 8.117 1.00 0.00 O ATOM 1147 CB SER A 75 -3.625 9.095 10.482 1.00 0.00 C ATOM 1148 OG SER A 75 -4.507 8.588 11.472 1.00 0.00 O ATOM 0 H SER A 75 -3.178 6.705 10.665 1.00 0.00 H new ATOM 0 HA SER A 75 -4.584 8.238 8.760 1.00 0.00 H new ATOM 0 HB2 SER A 75 -2.618 9.174 10.891 1.00 0.00 H new ATOM 0 HB3 SER A 75 -3.932 10.101 10.195 1.00 0.00 H new ATOM 0 HG SER A 75 -4.500 9.182 12.252 1.00 0.00 H new ATOM 1154 N ARG A 76 -2.788 9.783 7.608 1.00 0.00 N ATOM 1155 CA ARG A 76 -1.844 10.302 6.620 1.00 0.00 C ATOM 1156 C ARG A 76 -0.476 10.527 7.252 1.00 0.00 C ATOM 1157 O ARG A 76 0.547 10.378 6.591 1.00 0.00 O ATOM 1158 CB ARG A 76 -2.343 11.601 5.977 1.00 0.00 C ATOM 1159 CG ARG A 76 -3.433 11.397 4.933 1.00 0.00 C ATOM 1160 CD ARG A 76 -4.780 11.078 5.564 1.00 0.00 C ATOM 1161 NE ARG A 76 -5.345 12.232 6.262 1.00 0.00 N ATOM 1162 CZ ARG A 76 -6.627 12.336 6.618 1.00 0.00 C ATOM 1163 NH1 ARG A 76 -7.466 11.329 6.410 1.00 0.00 N ATOM 1164 NH2 ARG A 76 -7.069 13.441 7.195 1.00 0.00 N ATOM 0 H ARG A 76 -3.623 10.354 7.739 1.00 0.00 H new ATOM 0 HA ARG A 76 -1.758 9.552 5.834 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -2.722 12.259 6.759 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -1.500 12.111 5.512 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -3.523 12.296 4.324 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -3.146 10.586 4.264 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -5.473 10.747 4.791 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -4.665 10.251 6.265 1.00 0.00 H new ATOM 0 HE ARG A 76 -4.721 13.005 6.491 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -7.132 10.469 5.976 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -8.445 11.415 6.685 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -6.430 14.216 7.369 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -8.049 13.518 7.466 1.00 0.00 H new ATOM 1178 N ARG A 77 -0.463 10.862 8.537 1.00 0.00 N ATOM 1179 CA ARG A 77 0.787 11.037 9.270 1.00 0.00 C ATOM 1180 C ARG A 77 1.616 9.755 9.239 1.00 0.00 C ATOM 1181 O ARG A 77 2.811 9.783 8.958 1.00 0.00 O ATOM 1182 CB ARG A 77 0.513 11.431 10.720 1.00 0.00 C ATOM 1183 CG ARG A 77 1.777 11.780 11.486 1.00 0.00 C ATOM 1184 CD ARG A 77 1.494 12.061 12.949 1.00 0.00 C ATOM 1185 NE ARG A 77 2.663 12.619 13.622 1.00 0.00 N ATOM 1186 CZ ARG A 77 2.615 13.277 14.776 1.00 0.00 C ATOM 1187 NH1 ARG A 77 1.493 13.297 15.486 1.00 0.00 N ATOM 1188 NH2 ARG A 77 3.705 13.878 15.236 1.00 0.00 N ATOM 0 H ARG A 77 -1.303 11.018 9.094 1.00 0.00 H new ATOM 0 HA ARG A 77 1.348 11.835 8.784 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -0.164 12.285 10.737 1.00 0.00 H new ATOM 0 HB3 ARG A 77 0.003 10.610 11.224 1.00 0.00 H new ATOM 0 HG2 ARG A 77 2.488 10.958 11.406 1.00 0.00 H new ATOM 0 HG3 ARG A 77 2.246 12.653 11.033 1.00 0.00 H new ATOM 0 HD2 ARG A 77 0.659 12.756 13.032 1.00 0.00 H new ATOM 0 HD3 ARG A 77 1.192 11.139 13.446 1.00 0.00 H new ATOM 0 HE ARG A 77 3.574 12.496 13.179 1.00 0.00 H new ATOM 0 HH11 ARG A 77 0.666 12.807 15.146 1.00 0.00 H new ATOM 0 HH12 ARG A 77 1.459 13.803 16.371 1.00 0.00 H new ATOM 0 HH21 ARG A 77 4.575 13.834 14.705 1.00 0.00 H new ATOM 0 HH22 ARG A 77 3.673 14.384 16.121 1.00 0.00 H new ATOM 1202 N LYS A 78 0.972 8.627 9.521 1.00 0.00 N ATOM 1203 CA LYS A 78 1.659 7.344 9.529 1.00 0.00 C ATOM 1204 C LYS A 78 1.958 6.884 8.113 1.00 0.00 C ATOM 1205 O LYS A 78 2.933 6.174 7.876 1.00 0.00 O ATOM 1206 CB LYS A 78 0.851 6.280 10.273 1.00 0.00 C ATOM 1207 CG LYS A 78 1.114 6.246 11.771 1.00 0.00 C ATOM 1208 CD LYS A 78 0.524 7.449 12.485 1.00 0.00 C ATOM 1209 CE LYS A 78 1.003 7.537 13.928 1.00 0.00 C ATOM 1210 NZ LYS A 78 0.817 6.261 14.666 1.00 0.00 N ATOM 0 H LYS A 78 -0.022 8.577 9.746 1.00 0.00 H new ATOM 0 HA LYS A 78 2.602 7.481 10.059 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -0.211 6.459 10.104 1.00 0.00 H new ATOM 0 HB3 LYS A 78 1.080 5.302 9.851 1.00 0.00 H new ATOM 0 HG2 LYS A 78 0.692 5.333 12.191 1.00 0.00 H new ATOM 0 HG3 LYS A 78 2.189 6.211 11.949 1.00 0.00 H new ATOM 0 HD2 LYS A 78 0.800 8.360 11.953 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -0.564 7.386 12.466 1.00 0.00 H new ATOM 0 HE2 LYS A 78 2.058 7.811 13.942 1.00 0.00 H new ATOM 0 HE3 LYS A 78 0.461 8.332 14.440 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 0.997 6.416 15.679 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -0.158 5.923 14.535 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 1.482 5.549 14.302 1.00 0.00 H new ATOM 1224 N LYS A 79 1.120 7.288 7.169 1.00 0.00 N ATOM 1225 CA LYS A 79 1.377 6.996 5.768 1.00 0.00 C ATOM 1226 C LYS A 79 2.617 7.758 5.293 1.00 0.00 C ATOM 1227 O LYS A 79 3.396 7.245 4.494 1.00 0.00 O ATOM 1228 CB LYS A 79 0.162 7.327 4.895 1.00 0.00 C ATOM 1229 CG LYS A 79 -0.995 6.348 5.046 1.00 0.00 C ATOM 1230 CD LYS A 79 -2.043 6.568 3.960 1.00 0.00 C ATOM 1231 CE LYS A 79 -3.065 5.441 3.902 1.00 0.00 C ATOM 1232 NZ LYS A 79 -4.015 5.474 5.046 1.00 0.00 N ATOM 0 H LYS A 79 0.264 7.814 7.346 1.00 0.00 H new ATOM 0 HA LYS A 79 1.564 5.927 5.670 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -0.189 8.329 5.143 1.00 0.00 H new ATOM 0 HB3 LYS A 79 0.473 7.348 3.850 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -0.620 5.326 4.993 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -1.453 6.469 6.028 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -2.557 7.512 4.141 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -1.547 6.655 2.993 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -3.623 5.509 2.968 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -2.545 4.483 3.893 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -4.235 4.502 5.343 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -3.584 5.989 5.840 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -4.891 5.954 4.756 1.00 0.00 H new ATOM 1246 N GLU A 80 2.807 8.974 5.805 1.00 0.00 N ATOM 1247 CA GLU A 80 4.023 9.742 5.532 1.00 0.00 C ATOM 1248 C GLU A 80 5.242 9.034 6.125 1.00 0.00 C ATOM 1249 O GLU A 80 6.340 9.084 5.563 1.00 0.00 O ATOM 1250 CB GLU A 80 3.910 11.161 6.106 1.00 0.00 C ATOM 1251 CG GLU A 80 2.942 12.066 5.352 1.00 0.00 C ATOM 1252 CD GLU A 80 3.463 12.515 3.998 1.00 0.00 C ATOM 1253 OE1 GLU A 80 4.510 12.003 3.549 1.00 0.00 O ATOM 1254 OE2 GLU A 80 2.835 13.403 3.381 1.00 0.00 O ATOM 0 H GLU A 80 2.136 9.448 6.410 1.00 0.00 H new ATOM 0 HA GLU A 80 4.145 9.814 4.451 1.00 0.00 H new ATOM 0 HB2 GLU A 80 3.592 11.095 7.147 1.00 0.00 H new ATOM 0 HB3 GLU A 80 4.898 11.622 6.103 1.00 0.00 H new ATOM 0 HG2 GLU A 80 1.998 11.539 5.213 1.00 0.00 H new ATOM 0 HG3 GLU A 80 2.730 12.945 5.961 1.00 0.00 H new ATOM 1261 N GLN A 81 5.040 8.368 7.258 1.00 0.00 N ATOM 1262 CA GLN A 81 6.086 7.552 7.862 1.00 0.00 C ATOM 1263 C GLN A 81 6.404 6.369 6.955 1.00 0.00 C ATOM 1264 O GLN A 81 7.562 6.000 6.772 1.00 0.00 O ATOM 1265 CB GLN A 81 5.651 7.064 9.247 1.00 0.00 C ATOM 1266 CG GLN A 81 6.634 6.098 9.889 1.00 0.00 C ATOM 1267 CD GLN A 81 6.174 5.610 11.246 1.00 0.00 C ATOM 1268 OE1 GLN A 81 5.471 4.603 11.356 1.00 0.00 O ATOM 1269 NE2 GLN A 81 6.570 6.318 12.288 1.00 0.00 N ATOM 0 H GLN A 81 4.161 8.378 7.776 1.00 0.00 H new ATOM 0 HA GLN A 81 6.984 8.158 7.981 1.00 0.00 H new ATOM 0 HB2 GLN A 81 5.521 7.925 9.902 1.00 0.00 H new ATOM 0 HB3 GLN A 81 4.679 6.578 9.163 1.00 0.00 H new ATOM 0 HG2 GLN A 81 6.779 5.242 9.230 1.00 0.00 H new ATOM 0 HG3 GLN A 81 7.602 6.587 9.993 1.00 0.00 H new ATOM 0 HE21 GLN A 81 7.151 7.145 12.152 1.00 0.00 H new ATOM 0 HE22 GLN A 81 6.295 6.038 13.229 1.00 0.00 H new ATOM 1278 N LEU A 82 5.360 5.799 6.372 1.00 0.00 N ATOM 1279 CA LEU A 82 5.503 4.717 5.408 1.00 0.00 C ATOM 1280 C LEU A 82 6.253 5.198 4.166 1.00 0.00 C ATOM 1281 O LEU A 82 7.045 4.462 3.579 1.00 0.00 O ATOM 1282 CB LEU A 82 4.122 4.162 5.042 1.00 0.00 C ATOM 1283 CG LEU A 82 3.500 3.242 6.093 1.00 0.00 C ATOM 1284 CD1 LEU A 82 2.021 3.034 5.810 1.00 0.00 C ATOM 1285 CD2 LEU A 82 4.241 1.912 6.124 1.00 0.00 C ATOM 0 H LEU A 82 4.394 6.072 6.552 1.00 0.00 H new ATOM 0 HA LEU A 82 6.089 3.915 5.857 1.00 0.00 H new ATOM 0 HB2 LEU A 82 3.445 4.998 4.866 1.00 0.00 H new ATOM 0 HB3 LEU A 82 4.204 3.614 4.103 1.00 0.00 H new ATOM 0 HG LEU A 82 3.591 3.711 7.073 1.00 0.00 H new ATOM 0 HD11 LEU A 82 1.594 2.377 6.568 1.00 0.00 H new ATOM 0 HD12 LEU A 82 1.508 3.995 5.833 1.00 0.00 H new ATOM 0 HD13 LEU A 82 1.899 2.581 4.826 1.00 0.00 H new ATOM 0 HD21 LEU A 82 3.792 1.263 6.875 1.00 0.00 H new ATOM 0 HD22 LEU A 82 4.175 1.436 5.146 1.00 0.00 H new ATOM 0 HD23 LEU A 82 5.288 2.085 6.373 1.00 0.00 H new ATOM 1297 N VAL A 83 6.017 6.449 3.787 1.00 0.00 N ATOM 1298 CA VAL A 83 6.742 7.068 2.683 1.00 0.00 C ATOM 1299 C VAL A 83 8.203 7.311 3.063 1.00 0.00 C ATOM 1300 O VAL A 83 9.078 7.399 2.206 1.00 0.00 O ATOM 1301 CB VAL A 83 6.083 8.399 2.254 1.00 0.00 C ATOM 1302 CG1 VAL A 83 6.876 9.081 1.146 1.00 0.00 C ATOM 1303 CG2 VAL A 83 4.653 8.155 1.805 1.00 0.00 C ATOM 0 H VAL A 83 5.327 7.056 4.229 1.00 0.00 H new ATOM 0 HA VAL A 83 6.705 6.378 1.840 1.00 0.00 H new ATOM 0 HB VAL A 83 6.077 9.064 3.118 1.00 0.00 H new ATOM 0 HG11 VAL A 83 6.385 10.014 0.868 1.00 0.00 H new ATOM 0 HG12 VAL A 83 7.885 9.293 1.499 1.00 0.00 H new ATOM 0 HG13 VAL A 83 6.926 8.425 0.277 1.00 0.00 H new ATOM 0 HG21 VAL A 83 4.199 9.100 1.505 1.00 0.00 H new ATOM 0 HG22 VAL A 83 4.649 7.467 0.960 1.00 0.00 H new ATOM 0 HG23 VAL A 83 4.082 7.723 2.627 1.00 0.00 H new ATOM 1313 N SER A 84 8.470 7.388 4.358 1.00 0.00 N ATOM 1314 CA SER A 84 9.828 7.580 4.840 1.00 0.00 C ATOM 1315 C SER A 84 10.618 6.271 4.753 1.00 0.00 C ATOM 1316 O SER A 84 11.832 6.247 4.941 1.00 0.00 O ATOM 1317 CB SER A 84 9.812 8.106 6.275 1.00 0.00 C ATOM 1318 OG SER A 84 9.047 9.301 6.365 1.00 0.00 O ATOM 0 H SER A 84 7.765 7.321 5.092 1.00 0.00 H new ATOM 0 HA SER A 84 10.321 8.318 4.207 1.00 0.00 H new ATOM 0 HB2 SER A 84 9.394 7.350 6.940 1.00 0.00 H new ATOM 0 HB3 SER A 84 10.832 8.296 6.609 1.00 0.00 H new ATOM 0 HG SER A 84 8.112 9.109 6.143 1.00 0.00 H new