USER MOD reduce.3.24.130724 H: found=0, std=0, add=612, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 610 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 45 HIS : no HD1:sc= -2.37 X(o=-2.4,f=-2.5) USER MOD Set 1.2: A 47 SER OG : rot 180:sc= 0.00236 USER MOD Set 2.1: A 10 TYR OH : rot 176:sc= 0.541 USER MOD Set 2.2: A 38 HIS : no HE2:sc= 0.235 K(o=0.78,f=-8.8!) USER MOD Single : A 4 LYS NZ :NH3+ 163:sc= 0.81 (180deg=-0.202!) USER MOD Single : A 5 ASN : amide:sc= 0.776 K(o=0.78,f=-0.0026) USER MOD Single : A 6 SER OG : rot 44:sc= 1.33 USER MOD Single : A 8 SER OG : rot 48:sc= 0.81 USER MOD Single : A 11 THR OG1 : rot -106:sc= 0.00889 USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ -111:sc= 1.54 (180deg=-2.9!) USER MOD Single : A 17 LYS NZ :NH3+ 128:sc= -1.15 (180deg=-2.66!) USER MOD Single : A 24 ASN : amide:sc= 0.564 K(o=0.56,f=-0.031) USER MOD Single : A 25 CYS SG : rot 45:sc= -0.345 USER MOD Single : A 30 LYS NZ :NH3+ 158:sc= 2.33 (180deg=0.846) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0.383 (180deg=0.383) USER MOD Single : A 32 GLN : amide:sc= -0.0185 X(o=-0.018,f=-0.42) USER MOD Single : A 35 ASN : amide:sc= -6.21! C(o=-6.2!,f=-6.4!) USER MOD Single : A 41 SER OG : rot 145:sc= 1.29 USER MOD Single : A 43 THR OG1 : rot 162:sc= 1.08 USER MOD Single : A 49 SER OG : rot -100:sc= 0.986 USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 ASN : amide:sc= 1.12 K(o=1.1,f=0) USER MOD Single : A 59 ASN : amide:sc= -0.456 K(o=-0.46,f=-3.5!) USER MOD Single : A 62 SER OG : rot 55:sc= 0.626 USER MOD Single : A 68 LYS NZ :NH3+ -158:sc= 0.686 (180deg=-0.336) USER MOD Single : A 71 LYS NZ :NH3+ 144:sc= 1.3 (180deg=0.0485) USER MOD Single : A 77 ASN : amide:sc= 0.658 K(o=0.66,f=0) USER MOD Single : A 79 LYS NZ :NH3+ 168:sc= 1.54 (180deg=1.1) USER MOD Single : A 80 SER OG : rot 69:sc= 1.28 USER MOD Single : A 83 LYS NZ :NH3+ 162:sc= -0.0151 (180deg=-0.728!) USER MOD ----------------------------------------------------------------- ATOM 33 N LEU A 3 11.349 4.162 -0.751 1.00 0.00 N ATOM 34 CA LEU A 3 10.694 4.264 -2.026 1.00 0.00 C ATOM 35 C LEU A 3 10.061 5.645 -2.300 1.00 0.00 C ATOM 36 O LEU A 3 10.446 6.658 -1.721 1.00 0.00 O ATOM 37 CB LEU A 3 9.728 3.073 -2.158 1.00 0.00 C ATOM 38 CG LEU A 3 10.405 1.700 -2.333 1.00 0.00 C ATOM 39 CD1 LEU A 3 9.315 0.628 -2.309 1.00 0.00 C ATOM 40 CD2 LEU A 3 11.180 1.585 -3.651 1.00 0.00 C ATOM 0 HA LEU A 3 11.436 4.200 -2.822 1.00 0.00 H new ATOM 0 HB2 LEU A 3 9.095 3.038 -1.271 1.00 0.00 H new ATOM 0 HB3 LEU A 3 9.073 3.249 -3.011 1.00 0.00 H new ATOM 0 HG LEU A 3 11.123 1.572 -1.523 1.00 0.00 H new ATOM 0 HD11 LEU A 3 9.769 -0.355 -2.431 1.00 0.00 H new ATOM 0 HD12 LEU A 3 8.786 0.668 -1.357 1.00 0.00 H new ATOM 0 HD13 LEU A 3 8.611 0.806 -3.122 1.00 0.00 H new ATOM 0 HD21 LEU A 3 11.636 0.597 -3.720 1.00 0.00 H new ATOM 0 HD22 LEU A 3 10.497 1.729 -4.488 1.00 0.00 H new ATOM 0 HD23 LEU A 3 11.959 2.347 -3.683 1.00 0.00 H new ATOM 52 N LYS A 4 9.120 5.693 -3.257 1.00 0.00 N ATOM 53 CA LYS A 4 8.356 6.875 -3.685 1.00 0.00 C ATOM 54 C LYS A 4 8.028 7.757 -2.503 1.00 0.00 C ATOM 55 O LYS A 4 7.496 7.308 -1.493 1.00 0.00 O ATOM 56 CB LYS A 4 7.132 6.533 -4.548 1.00 0.00 C ATOM 57 CG LYS A 4 7.281 5.424 -5.605 1.00 0.00 C ATOM 58 CD LYS A 4 8.382 5.669 -6.648 1.00 0.00 C ATOM 59 CE LYS A 4 8.317 7.049 -7.315 1.00 0.00 C ATOM 60 NZ LYS A 4 7.036 7.317 -8.004 1.00 0.00 N ATOM 0 H LYS A 4 8.857 4.859 -3.783 1.00 0.00 H new ATOM 0 HA LYS A 4 8.999 7.451 -4.351 1.00 0.00 H new ATOM 0 HB2 LYS A 4 6.320 6.249 -3.878 1.00 0.00 H new ATOM 0 HB3 LYS A 4 6.820 7.443 -5.060 1.00 0.00 H new ATOM 0 HG2 LYS A 4 7.486 4.482 -5.096 1.00 0.00 H new ATOM 0 HG3 LYS A 4 6.329 5.306 -6.123 1.00 0.00 H new ATOM 0 HD2 LYS A 4 9.354 5.555 -6.168 1.00 0.00 H new ATOM 0 HD3 LYS A 4 8.315 4.901 -7.419 1.00 0.00 H new ATOM 0 HE2 LYS A 4 8.480 7.816 -6.558 1.00 0.00 H new ATOM 0 HE3 LYS A 4 9.131 7.133 -8.035 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 6.942 8.338 -8.178 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 7.017 6.808 -8.911 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 6.247 6.993 -7.409 1.00 0.00 H new ATOM 74 N ASN A 5 8.357 9.036 -2.701 1.00 0.00 N ATOM 75 CA ASN A 5 8.575 10.050 -1.681 1.00 0.00 C ATOM 76 C ASN A 5 7.368 10.207 -0.768 1.00 0.00 C ATOM 77 O ASN A 5 7.474 10.830 0.285 1.00 0.00 O ATOM 78 CB ASN A 5 8.844 11.410 -2.358 1.00 0.00 C ATOM 79 CG ASN A 5 10.130 11.461 -3.175 1.00 0.00 C ATOM 80 OD1 ASN A 5 11.143 11.970 -2.719 1.00 0.00 O ATOM 81 ND2 ASN A 5 10.129 10.978 -4.410 1.00 0.00 N ATOM 0 H ASN A 5 8.485 9.409 -3.642 1.00 0.00 H new ATOM 0 HA ASN A 5 9.428 9.731 -1.082 1.00 0.00 H new ATOM 0 HB2 ASN A 5 8.004 11.651 -3.009 1.00 0.00 H new ATOM 0 HB3 ASN A 5 8.884 12.183 -1.591 1.00 0.00 H new ATOM 0 HD21 ASN A 5 10.974 11.031 -4.979 1.00 0.00 H new ATOM 0 HD22 ASN A 5 9.283 10.553 -4.791 1.00 0.00 H new ATOM 88 N SER A 6 6.204 9.743 -1.223 1.00 0.00 N ATOM 89 CA SER A 6 4.916 9.864 -0.585 1.00 0.00 C ATOM 90 C SER A 6 3.851 9.229 -1.457 1.00 0.00 C ATOM 91 O SER A 6 4.087 8.931 -2.628 1.00 0.00 O ATOM 92 CB SER A 6 4.588 11.343 -0.481 1.00 0.00 C ATOM 93 OG SER A 6 5.115 11.954 0.670 1.00 0.00 O ATOM 0 H SER A 6 6.145 9.240 -2.108 1.00 0.00 H new ATOM 0 HA SER A 6 4.942 9.379 0.391 1.00 0.00 H new ATOM 0 HB2 SER A 6 4.972 11.855 -1.363 1.00 0.00 H new ATOM 0 HB3 SER A 6 3.505 11.468 -0.486 1.00 0.00 H new ATOM 0 HG SER A 6 6.037 11.652 0.808 1.00 0.00 H new ATOM 99 N ILE A 7 2.639 9.130 -0.905 1.00 0.00 N ATOM 100 CA ILE A 7 1.478 8.581 -1.581 1.00 0.00 C ATOM 101 C ILE A 7 1.273 9.338 -2.880 1.00 0.00 C ATOM 102 O ILE A 7 1.043 8.721 -3.908 1.00 0.00 O ATOM 103 CB ILE A 7 0.250 8.575 -0.640 1.00 0.00 C ATOM 104 CG1 ILE A 7 0.223 7.238 0.125 1.00 0.00 C ATOM 105 CG2 ILE A 7 -1.105 8.855 -1.317 1.00 0.00 C ATOM 106 CD1 ILE A 7 -0.208 6.005 -0.660 1.00 0.00 C ATOM 0 H ILE A 7 2.441 9.439 0.047 1.00 0.00 H new ATOM 0 HA ILE A 7 1.632 7.534 -1.842 1.00 0.00 H new ATOM 0 HB ILE A 7 0.378 9.417 0.040 1.00 0.00 H new ATOM 0 HG12 ILE A 7 1.221 7.055 0.524 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -0.446 7.348 0.978 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -1.898 8.828 -0.569 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -1.081 9.839 -1.785 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -1.296 8.097 -2.076 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -0.184 5.132 -0.008 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -1.221 6.149 -1.037 1.00 0.00 H new ATOM 0 HD13 ILE A 7 0.472 5.851 -1.498 1.00 0.00 H new ATOM 118 N SER A 8 1.464 10.657 -2.878 1.00 0.00 N ATOM 119 CA SER A 8 1.192 11.447 -4.077 1.00 0.00 C ATOM 120 C SER A 8 2.288 11.282 -5.144 1.00 0.00 C ATOM 121 O SER A 8 2.131 11.692 -6.297 1.00 0.00 O ATOM 122 CB SER A 8 0.894 12.892 -3.671 1.00 0.00 C ATOM 123 OG SER A 8 -0.348 13.309 -4.206 1.00 0.00 O ATOM 0 H SER A 8 1.799 11.192 -2.077 1.00 0.00 H new ATOM 0 HA SER A 8 0.298 11.071 -4.575 1.00 0.00 H new ATOM 0 HB2 SER A 8 0.875 12.975 -2.584 1.00 0.00 H new ATOM 0 HB3 SER A 8 1.689 13.548 -4.027 1.00 0.00 H new ATOM 0 HG SER A 8 -1.028 12.627 -4.024 1.00 0.00 H new ATOM 129 N ASP A 9 3.389 10.610 -4.804 1.00 0.00 N ATOM 130 CA ASP A 9 4.351 10.127 -5.776 1.00 0.00 C ATOM 131 C ASP A 9 3.998 8.713 -6.270 1.00 0.00 C ATOM 132 O ASP A 9 4.324 8.358 -7.399 1.00 0.00 O ATOM 133 CB ASP A 9 5.762 10.198 -5.187 1.00 0.00 C ATOM 134 CG ASP A 9 6.855 10.022 -6.241 1.00 0.00 C ATOM 135 OD1 ASP A 9 6.564 10.114 -7.463 1.00 0.00 O ATOM 136 OD2 ASP A 9 8.003 9.788 -5.806 1.00 0.00 O ATOM 0 H ASP A 9 3.633 10.388 -3.839 1.00 0.00 H new ATOM 0 HA ASP A 9 4.316 10.772 -6.654 1.00 0.00 H new ATOM 0 HB2 ASP A 9 5.895 11.159 -4.690 1.00 0.00 H new ATOM 0 HB3 ASP A 9 5.872 9.427 -4.425 1.00 0.00 H new ATOM 141 N TYR A 10 3.281 7.933 -5.465 1.00 0.00 N ATOM 142 CA TYR A 10 3.001 6.500 -5.573 1.00 0.00 C ATOM 143 C TYR A 10 1.806 6.175 -6.463 1.00 0.00 C ATOM 144 O TYR A 10 0.820 5.604 -6.021 1.00 0.00 O ATOM 145 CB TYR A 10 2.744 5.974 -4.157 1.00 0.00 C ATOM 146 CG TYR A 10 3.860 5.199 -3.567 1.00 0.00 C ATOM 147 CD1 TYR A 10 4.173 3.977 -4.162 1.00 0.00 C ATOM 148 CD2 TYR A 10 4.510 5.632 -2.412 1.00 0.00 C ATOM 149 CE1 TYR A 10 5.153 3.144 -3.618 1.00 0.00 C ATOM 150 CE2 TYR A 10 5.517 4.826 -1.876 1.00 0.00 C ATOM 151 CZ TYR A 10 5.819 3.572 -2.456 1.00 0.00 C ATOM 152 OH TYR A 10 6.729 2.753 -1.894 1.00 0.00 O ATOM 0 H TYR A 10 2.836 8.327 -4.636 1.00 0.00 H new ATOM 0 HA TYR A 10 3.861 6.022 -6.042 1.00 0.00 H new ATOM 0 HB2 TYR A 10 2.524 6.820 -3.505 1.00 0.00 H new ATOM 0 HB3 TYR A 10 1.854 5.345 -4.175 1.00 0.00 H new ATOM 0 HD1 TYR A 10 3.650 3.671 -5.056 1.00 0.00 H new ATOM 0 HD2 TYR A 10 4.242 6.567 -1.943 1.00 0.00 H new ATOM 0 HE1 TYR A 10 5.393 2.197 -4.077 1.00 0.00 H new ATOM 0 HE2 TYR A 10 6.070 5.163 -1.011 1.00 0.00 H new ATOM 0 HH TYR A 10 7.154 3.207 -1.137 1.00 0.00 H new ATOM 162 N THR A 11 1.889 6.557 -7.726 1.00 0.00 N ATOM 163 CA THR A 11 0.998 6.199 -8.820 1.00 0.00 C ATOM 164 C THR A 11 0.364 4.853 -8.541 1.00 0.00 C ATOM 165 O THR A 11 1.002 3.928 -8.043 1.00 0.00 O ATOM 166 CB THR A 11 1.675 6.096 -10.201 1.00 0.00 C ATOM 167 OG1 THR A 11 2.614 5.072 -10.239 1.00 0.00 O ATOM 168 CG2 THR A 11 2.409 7.318 -10.734 1.00 0.00 C ATOM 0 H THR A 11 2.639 7.173 -8.039 1.00 0.00 H new ATOM 0 HA THR A 11 0.274 7.012 -8.866 1.00 0.00 H new ATOM 0 HB THR A 11 0.801 5.934 -10.832 1.00 0.00 H new ATOM 0 HG1 THR A 11 3.516 5.455 -10.221 1.00 0.00 H new ATOM 0 HG21 THR A 11 2.831 7.091 -11.713 1.00 0.00 H new ATOM 0 HG22 THR A 11 1.712 8.151 -10.824 1.00 0.00 H new ATOM 0 HG23 THR A 11 3.211 7.589 -10.047 1.00 0.00 H new ATOM 176 N GLU A 12 -0.897 4.776 -8.903 1.00 0.00 N ATOM 177 CA GLU A 12 -1.742 3.653 -8.510 1.00 0.00 C ATOM 178 C GLU A 12 -1.093 2.273 -8.750 1.00 0.00 C ATOM 179 O GLU A 12 -1.269 1.343 -7.960 1.00 0.00 O ATOM 180 CB GLU A 12 -3.093 3.772 -9.226 1.00 0.00 C ATOM 181 CG GLU A 12 -4.252 3.371 -8.308 1.00 0.00 C ATOM 182 CD GLU A 12 -5.291 2.459 -8.967 1.00 0.00 C ATOM 183 OE1 GLU A 12 -4.883 1.402 -9.503 1.00 0.00 O ATOM 184 OE2 GLU A 12 -6.499 2.765 -8.851 1.00 0.00 O ATOM 0 H GLU A 12 -1.369 5.478 -9.472 1.00 0.00 H new ATOM 0 HA GLU A 12 -1.885 3.710 -7.431 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -3.236 4.797 -9.568 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -3.093 3.138 -10.112 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -3.847 2.867 -7.431 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -4.750 4.274 -7.955 1.00 0.00 H new ATOM 191 N THR A 13 -0.292 2.148 -9.813 1.00 0.00 N ATOM 192 CA THR A 13 0.457 0.940 -10.114 1.00 0.00 C ATOM 193 C THR A 13 1.802 0.868 -9.355 1.00 0.00 C ATOM 194 O THR A 13 2.196 -0.241 -9.017 1.00 0.00 O ATOM 195 CB THR A 13 0.681 0.852 -11.637 1.00 0.00 C ATOM 196 OG1 THR A 13 -0.425 1.379 -12.355 1.00 0.00 O ATOM 197 CG2 THR A 13 0.902 -0.591 -12.099 1.00 0.00 C ATOM 0 H THR A 13 -0.149 2.896 -10.492 1.00 0.00 H new ATOM 0 HA THR A 13 -0.129 0.086 -9.774 1.00 0.00 H new ATOM 0 HB THR A 13 1.574 1.441 -11.844 1.00 0.00 H new ATOM 0 HG1 THR A 13 -0.253 1.311 -13.317 1.00 0.00 H new ATOM 0 HG21 THR A 13 1.056 -0.608 -13.178 1.00 0.00 H new ATOM 0 HG22 THR A 13 1.780 -1.002 -11.601 1.00 0.00 H new ATOM 0 HG23 THR A 13 0.028 -1.191 -11.848 1.00 0.00 H new ATOM 205 N GLU A 14 2.528 1.956 -9.039 1.00 0.00 N ATOM 206 CA GLU A 14 3.685 1.871 -8.155 1.00 0.00 C ATOM 207 C GLU A 14 3.288 1.414 -6.755 1.00 0.00 C ATOM 208 O GLU A 14 3.985 0.565 -6.196 1.00 0.00 O ATOM 209 CB GLU A 14 4.386 3.227 -8.083 1.00 0.00 C ATOM 210 CG GLU A 14 5.061 3.533 -9.421 1.00 0.00 C ATOM 211 CD GLU A 14 5.647 4.947 -9.432 1.00 0.00 C ATOM 212 OE1 GLU A 14 4.880 5.908 -9.186 1.00 0.00 O ATOM 213 OE2 GLU A 14 6.865 5.137 -9.628 1.00 0.00 O ATOM 0 H GLU A 14 2.329 2.895 -9.385 1.00 0.00 H new ATOM 0 HA GLU A 14 4.368 1.129 -8.567 1.00 0.00 H new ATOM 0 HB2 GLU A 14 3.664 4.008 -7.843 1.00 0.00 H new ATOM 0 HB3 GLU A 14 5.127 3.221 -7.284 1.00 0.00 H new ATOM 0 HG2 GLU A 14 5.852 2.807 -9.607 1.00 0.00 H new ATOM 0 HG3 GLU A 14 4.337 3.430 -10.229 1.00 0.00 H new ATOM 220 N PHE A 15 2.192 1.934 -6.176 1.00 0.00 N ATOM 221 CA PHE A 15 1.798 1.423 -4.867 1.00 0.00 C ATOM 222 C PHE A 15 1.373 -0.034 -4.985 1.00 0.00 C ATOM 223 O PHE A 15 1.745 -0.829 -4.135 1.00 0.00 O ATOM 224 CB PHE A 15 0.721 2.292 -4.207 1.00 0.00 C ATOM 225 CG PHE A 15 0.694 2.151 -2.693 1.00 0.00 C ATOM 226 CD1 PHE A 15 1.849 2.443 -1.941 1.00 0.00 C ATOM 227 CD2 PHE A 15 -0.454 1.699 -2.018 1.00 0.00 C ATOM 228 CE1 PHE A 15 1.846 2.325 -0.547 1.00 0.00 C ATOM 229 CE2 PHE A 15 -0.445 1.567 -0.623 1.00 0.00 C ATOM 230 CZ PHE A 15 0.682 1.939 0.121 1.00 0.00 C ATOM 0 H PHE A 15 1.599 2.664 -6.570 1.00 0.00 H new ATOM 0 HA PHE A 15 2.663 1.472 -4.206 1.00 0.00 H new ATOM 0 HB2 PHE A 15 0.894 3.336 -4.467 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -0.255 2.021 -4.610 1.00 0.00 H new ATOM 0 HD1 PHE A 15 2.748 2.762 -2.447 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -1.345 1.453 -2.576 1.00 0.00 H new ATOM 0 HE1 PHE A 15 2.745 2.533 0.014 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -1.315 1.175 -0.117 1.00 0.00 H new ATOM 0 HZ PHE A 15 0.651 1.927 1.200 1.00 0.00 H new ATOM 240 N LYS A 16 0.706 -0.439 -6.073 1.00 0.00 N ATOM 241 CA LYS A 16 0.515 -1.854 -6.370 1.00 0.00 C ATOM 242 C LYS A 16 1.841 -2.552 -6.310 1.00 0.00 C ATOM 243 O LYS A 16 1.899 -3.523 -5.598 1.00 0.00 O ATOM 244 CB LYS A 16 -0.037 -2.002 -7.796 1.00 0.00 C ATOM 245 CG LYS A 16 -1.128 -3.052 -7.924 1.00 0.00 C ATOM 246 CD LYS A 16 -2.451 -2.353 -7.637 1.00 0.00 C ATOM 247 CE LYS A 16 -2.983 -1.612 -8.874 1.00 0.00 C ATOM 248 NZ LYS A 16 -4.336 -1.062 -8.671 1.00 0.00 N ATOM 0 H LYS A 16 0.293 0.195 -6.757 1.00 0.00 H new ATOM 0 HA LYS A 16 -0.177 -2.285 -5.647 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -0.431 -1.040 -8.125 1.00 0.00 H new ATOM 0 HB3 LYS A 16 0.782 -2.258 -8.468 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -1.130 -3.487 -8.923 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -0.962 -3.869 -7.221 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -3.187 -3.087 -7.308 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -2.319 -1.646 -6.818 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -2.300 -0.801 -9.128 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -2.997 -2.295 -9.723 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -5.015 -1.584 -9.261 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -4.603 -1.156 -7.670 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -4.346 -0.057 -8.939 1.00 0.00 H new ATOM 262 N LYS A 17 2.889 -2.088 -6.984 1.00 0.00 N ATOM 263 CA LYS A 17 4.124 -2.835 -7.089 1.00 0.00 C ATOM 264 C LYS A 17 4.641 -3.205 -5.694 1.00 0.00 C ATOM 265 O LYS A 17 5.064 -4.339 -5.536 1.00 0.00 O ATOM 266 CB LYS A 17 5.122 -2.002 -7.915 1.00 0.00 C ATOM 267 CG LYS A 17 5.993 -2.774 -8.916 1.00 0.00 C ATOM 268 CD LYS A 17 6.922 -3.834 -8.314 1.00 0.00 C ATOM 269 CE LYS A 17 6.240 -5.206 -8.286 1.00 0.00 C ATOM 270 NZ LYS A 17 7.166 -6.271 -7.875 1.00 0.00 N ATOM 0 H LYS A 17 2.900 -1.190 -7.467 1.00 0.00 H new ATOM 0 HA LYS A 17 3.971 -3.782 -7.607 1.00 0.00 H new ATOM 0 HB2 LYS A 17 4.563 -1.244 -8.463 1.00 0.00 H new ATOM 0 HB3 LYS A 17 5.781 -1.475 -7.225 1.00 0.00 H new ATOM 0 HG2 LYS A 17 5.338 -3.261 -9.639 1.00 0.00 H new ATOM 0 HG3 LYS A 17 6.601 -2.057 -9.468 1.00 0.00 H new ATOM 0 HD2 LYS A 17 7.841 -3.892 -8.898 1.00 0.00 H new ATOM 0 HD3 LYS A 17 7.205 -3.543 -7.302 1.00 0.00 H new ATOM 0 HE2 LYS A 17 5.393 -5.176 -7.600 1.00 0.00 H new ATOM 0 HE3 LYS A 17 5.841 -5.433 -9.275 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 6.745 -6.816 -7.096 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 7.348 -6.903 -8.681 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 8.062 -5.849 -7.557 1.00 0.00 H new ATOM 284 N ILE A 18 4.539 -2.322 -4.691 1.00 0.00 N ATOM 285 CA ILE A 18 4.888 -2.670 -3.301 1.00 0.00 C ATOM 286 C ILE A 18 3.920 -3.693 -2.713 1.00 0.00 C ATOM 287 O ILE A 18 4.339 -4.707 -2.162 1.00 0.00 O ATOM 288 CB ILE A 18 5.028 -1.396 -2.437 1.00 0.00 C ATOM 289 CG1 ILE A 18 6.331 -1.614 -1.641 1.00 0.00 C ATOM 290 CG2 ILE A 18 3.875 -0.931 -1.531 1.00 0.00 C ATOM 291 CD1 ILE A 18 6.587 -0.670 -0.481 1.00 0.00 C ATOM 0 H ILE A 18 4.218 -1.361 -4.813 1.00 0.00 H new ATOM 0 HA ILE A 18 5.863 -3.157 -3.303 1.00 0.00 H new ATOM 0 HB ILE A 18 5.022 -0.554 -3.130 1.00 0.00 H new ATOM 0 HG12 ILE A 18 6.328 -2.634 -1.256 1.00 0.00 H new ATOM 0 HG13 ILE A 18 7.169 -1.538 -2.333 1.00 0.00 H new ATOM 0 HG21 ILE A 18 4.168 -0.021 -1.008 1.00 0.00 H new ATOM 0 HG22 ILE A 18 2.992 -0.733 -2.139 1.00 0.00 H new ATOM 0 HG23 ILE A 18 3.647 -1.710 -0.803 1.00 0.00 H new ATOM 0 HD11 ILE A 18 7.533 -0.928 -0.004 1.00 0.00 H new ATOM 0 HD12 ILE A 18 6.634 0.355 -0.849 1.00 0.00 H new ATOM 0 HD13 ILE A 18 5.779 -0.758 0.245 1.00 0.00 H new ATOM 303 N ILE A 19 2.628 -3.407 -2.839 1.00 0.00 N ATOM 304 CA ILE A 19 1.519 -4.167 -2.264 1.00 0.00 C ATOM 305 C ILE A 19 1.415 -5.578 -2.894 1.00 0.00 C ATOM 306 O ILE A 19 0.971 -6.545 -2.276 1.00 0.00 O ATOM 307 CB ILE A 19 0.265 -3.261 -2.391 1.00 0.00 C ATOM 308 CG1 ILE A 19 0.322 -1.993 -1.505 1.00 0.00 C ATOM 309 CG2 ILE A 19 -1.078 -3.905 -2.086 1.00 0.00 C ATOM 310 CD1 ILE A 19 0.729 -2.188 -0.048 1.00 0.00 C ATOM 0 H ILE A 19 2.308 -2.598 -3.372 1.00 0.00 H new ATOM 0 HA ILE A 19 1.659 -4.397 -1.208 1.00 0.00 H new ATOM 0 HB ILE A 19 0.313 -3.027 -3.454 1.00 0.00 H new ATOM 0 HG12 ILE A 19 1.020 -1.291 -1.961 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -0.661 -1.522 -1.523 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -1.872 -3.168 -2.211 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -1.245 -4.738 -2.769 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -1.081 -4.271 -1.059 1.00 0.00 H new ATOM 0 HD11 ILE A 19 0.730 -1.224 0.462 1.00 0.00 H new ATOM 0 HD12 ILE A 19 0.021 -2.857 0.441 1.00 0.00 H new ATOM 0 HD13 ILE A 19 1.728 -2.622 -0.004 1.00 0.00 H new ATOM 322 N GLU A 20 1.882 -5.728 -4.119 1.00 0.00 N ATOM 323 CA GLU A 20 2.042 -6.899 -4.907 1.00 0.00 C ATOM 324 C GLU A 20 3.280 -7.632 -4.453 1.00 0.00 C ATOM 325 O GLU A 20 3.193 -8.821 -4.181 1.00 0.00 O ATOM 326 CB GLU A 20 2.215 -6.326 -6.316 1.00 0.00 C ATOM 327 CG GLU A 20 2.343 -7.301 -7.450 1.00 0.00 C ATOM 328 CD GLU A 20 2.531 -6.541 -8.770 1.00 0.00 C ATOM 329 OE1 GLU A 20 1.510 -6.119 -9.357 1.00 0.00 O ATOM 330 OE2 GLU A 20 3.708 -6.349 -9.162 1.00 0.00 O ATOM 0 H GLU A 20 2.196 -4.908 -4.639 1.00 0.00 H new ATOM 0 HA GLU A 20 1.220 -7.612 -4.842 1.00 0.00 H new ATOM 0 HB2 GLU A 20 1.362 -5.679 -6.523 1.00 0.00 H new ATOM 0 HB3 GLU A 20 3.102 -5.693 -6.315 1.00 0.00 H new ATOM 0 HG2 GLU A 20 3.191 -7.964 -7.278 1.00 0.00 H new ATOM 0 HG3 GLU A 20 1.453 -7.928 -7.504 1.00 0.00 H new ATOM 337 N ASP A 21 4.410 -6.930 -4.386 1.00 0.00 N ATOM 338 CA ASP A 21 5.710 -7.474 -3.985 1.00 0.00 C ATOM 339 C ASP A 21 5.553 -8.309 -2.725 1.00 0.00 C ATOM 340 O ASP A 21 5.966 -9.468 -2.691 1.00 0.00 O ATOM 341 CB ASP A 21 6.771 -6.357 -3.809 1.00 0.00 C ATOM 342 CG ASP A 21 7.759 -6.309 -4.977 1.00 0.00 C ATOM 343 OD1 ASP A 21 8.033 -7.359 -5.597 1.00 0.00 O ATOM 344 OD2 ASP A 21 8.120 -5.206 -5.444 1.00 0.00 O ATOM 0 H ASP A 21 4.449 -5.937 -4.616 1.00 0.00 H new ATOM 0 HA ASP A 21 6.075 -8.121 -4.783 1.00 0.00 H new ATOM 0 HB2 ASP A 21 6.270 -5.393 -3.719 1.00 0.00 H new ATOM 0 HB3 ASP A 21 7.317 -6.520 -2.880 1.00 0.00 H new ATOM 349 N ILE A 22 4.868 -7.758 -1.727 1.00 0.00 N ATOM 350 CA ILE A 22 4.497 -8.483 -0.526 1.00 0.00 C ATOM 351 C ILE A 22 3.584 -9.676 -0.788 1.00 0.00 C ATOM 352 O ILE A 22 3.967 -10.804 -0.489 1.00 0.00 O ATOM 353 CB ILE A 22 3.904 -7.528 0.518 1.00 0.00 C ATOM 354 CG1 ILE A 22 2.740 -6.621 0.102 1.00 0.00 C ATOM 355 CG2 ILE A 22 5.049 -6.652 1.036 1.00 0.00 C ATOM 356 CD1 ILE A 22 2.374 -5.467 1.041 1.00 0.00 C ATOM 0 H ILE A 22 4.554 -6.787 -1.734 1.00 0.00 H new ATOM 0 HA ILE A 22 5.416 -8.911 -0.124 1.00 0.00 H new ATOM 0 HB ILE A 22 3.450 -8.183 1.261 1.00 0.00 H new ATOM 0 HG12 ILE A 22 2.975 -6.199 -0.875 1.00 0.00 H new ATOM 0 HG13 ILE A 22 1.856 -7.245 -0.025 1.00 0.00 H new ATOM 0 HG21 ILE A 22 4.666 -5.957 1.783 1.00 0.00 H new ATOM 0 HG22 ILE A 22 5.815 -7.283 1.486 1.00 0.00 H new ATOM 0 HG23 ILE A 22 5.482 -6.092 0.207 1.00 0.00 H new ATOM 0 HD11 ILE A 22 1.536 -4.910 0.623 1.00 0.00 H new ATOM 0 HD12 ILE A 22 2.094 -5.866 2.016 1.00 0.00 H new ATOM 0 HD13 ILE A 22 3.231 -4.803 1.153 1.00 0.00 H new ATOM 368 N ILE A 23 2.380 -9.435 -1.309 1.00 0.00 N ATOM 369 CA ILE A 23 1.370 -10.492 -1.478 1.00 0.00 C ATOM 370 C ILE A 23 1.898 -11.694 -2.287 1.00 0.00 C ATOM 371 O ILE A 23 1.469 -12.821 -2.044 1.00 0.00 O ATOM 372 CB ILE A 23 0.089 -9.874 -2.081 1.00 0.00 C ATOM 373 CG1 ILE A 23 -0.611 -9.008 -0.998 1.00 0.00 C ATOM 374 CG2 ILE A 23 -0.930 -10.917 -2.579 1.00 0.00 C ATOM 375 CD1 ILE A 23 -1.815 -8.182 -1.468 1.00 0.00 C ATOM 0 H ILE A 23 2.075 -8.514 -1.624 1.00 0.00 H new ATOM 0 HA ILE A 23 1.126 -10.906 -0.500 1.00 0.00 H new ATOM 0 HB ILE A 23 0.408 -9.288 -2.943 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -0.939 -9.665 -0.193 1.00 0.00 H new ATOM 0 HG13 ILE A 23 0.127 -8.328 -0.573 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -1.802 -10.407 -2.988 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -0.472 -11.532 -3.354 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -1.238 -11.551 -1.747 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -2.221 -7.619 -0.627 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -1.499 -7.490 -2.249 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -2.582 -8.849 -1.862 1.00 0.00 H new ATOM 387 N ASN A 24 2.807 -11.484 -3.243 1.00 0.00 N ATOM 388 CA ASN A 24 3.565 -12.484 -3.939 1.00 0.00 C ATOM 389 C ASN A 24 4.489 -13.197 -2.962 1.00 0.00 C ATOM 390 O ASN A 24 4.273 -14.375 -2.698 1.00 0.00 O ATOM 391 CB ASN A 24 4.394 -11.707 -4.949 1.00 0.00 C ATOM 392 CG ASN A 24 3.755 -11.550 -6.286 1.00 0.00 C ATOM 393 OD1 ASN A 24 3.788 -12.406 -7.161 1.00 0.00 O ATOM 394 ND2 ASN A 24 3.243 -10.367 -6.463 1.00 0.00 N ATOM 0 H ASN A 24 3.036 -10.542 -3.560 1.00 0.00 H new ATOM 0 HA ASN A 24 2.931 -13.236 -4.409 1.00 0.00 H new ATOM 0 HB2 ASN A 24 4.604 -10.718 -4.543 1.00 0.00 H new ATOM 0 HB3 ASN A 24 5.353 -12.210 -5.076 1.00 0.00 H new ATOM 0 HD21 ASN A 24 2.842 -10.115 -7.366 1.00 0.00 H new ATOM 0 HD22 ASN A 24 3.242 -9.692 -5.698 1.00 0.00 H new ATOM 401 N CYS A 25 5.497 -12.446 -2.490 1.00 0.00 N ATOM 402 CA CYS A 25 6.455 -12.681 -1.392 1.00 0.00 C ATOM 403 C CYS A 25 7.910 -12.350 -1.780 1.00 0.00 C ATOM 404 O CYS A 25 8.787 -13.215 -1.748 1.00 0.00 O ATOM 405 CB CYS A 25 6.309 -14.040 -0.658 1.00 0.00 C ATOM 406 SG CYS A 25 6.900 -15.496 -1.587 1.00 0.00 S ATOM 0 H CYS A 25 5.685 -11.543 -2.925 1.00 0.00 H new ATOM 0 HA CYS A 25 6.164 -11.953 -0.635 1.00 0.00 H new ATOM 0 HB2 CYS A 25 6.854 -13.985 0.285 1.00 0.00 H new ATOM 0 HB3 CYS A 25 5.258 -14.190 -0.411 1.00 0.00 H new ATOM 0 HG CYS A 25 8.056 -15.231 -2.120 1.00 0.00 H new ATOM 411 N GLU A 26 8.194 -11.101 -2.148 1.00 0.00 N ATOM 412 CA GLU A 26 9.535 -10.629 -2.436 1.00 0.00 C ATOM 413 C GLU A 26 10.436 -10.783 -1.198 1.00 0.00 C ATOM 414 O GLU A 26 10.036 -10.447 -0.078 1.00 0.00 O ATOM 415 CB GLU A 26 9.487 -9.170 -2.936 1.00 0.00 C ATOM 416 CG GLU A 26 10.523 -8.846 -4.028 1.00 0.00 C ATOM 417 CD GLU A 26 11.972 -9.143 -3.632 1.00 0.00 C ATOM 418 OE1 GLU A 26 12.597 -8.275 -2.982 1.00 0.00 O ATOM 419 OE2 GLU A 26 12.436 -10.263 -3.947 1.00 0.00 O ATOM 0 H GLU A 26 7.480 -10.380 -2.254 1.00 0.00 H new ATOM 0 HA GLU A 26 9.968 -11.237 -3.230 1.00 0.00 H new ATOM 0 HB2 GLU A 26 8.490 -8.962 -3.323 1.00 0.00 H new ATOM 0 HB3 GLU A 26 9.646 -8.502 -2.090 1.00 0.00 H new ATOM 0 HG2 GLU A 26 10.279 -9.417 -4.924 1.00 0.00 H new ATOM 0 HG3 GLU A 26 10.439 -7.791 -4.290 1.00 0.00 H new ATOM 426 N GLY A 27 11.674 -11.221 -1.419 1.00 0.00 N ATOM 427 CA GLY A 27 12.774 -11.153 -0.478 1.00 0.00 C ATOM 428 C GLY A 27 12.727 -12.238 0.590 1.00 0.00 C ATOM 429 O GLY A 27 13.368 -13.279 0.444 1.00 0.00 O ATOM 0 H GLY A 27 11.943 -11.652 -2.303 1.00 0.00 H new ATOM 0 HA2 GLY A 27 13.714 -11.232 -1.024 1.00 0.00 H new ATOM 0 HA3 GLY A 27 12.768 -10.177 0.007 1.00 0.00 H new ATOM 433 N ASP A 28 12.068 -11.950 1.710 1.00 0.00 N ATOM 434 CA ASP A 28 12.097 -12.588 2.985 1.00 0.00 C ATOM 435 C ASP A 28 10.954 -11.930 3.760 1.00 0.00 C ATOM 436 O ASP A 28 10.477 -10.843 3.413 1.00 0.00 O ATOM 437 CB ASP A 28 13.423 -12.242 3.659 1.00 0.00 C ATOM 438 CG ASP A 28 13.494 -12.816 5.070 1.00 0.00 C ATOM 439 OD1 ASP A 28 13.096 -13.987 5.244 1.00 0.00 O ATOM 440 OD2 ASP A 28 13.827 -12.032 5.982 1.00 0.00 O ATOM 0 H ASP A 28 11.424 -11.159 1.725 1.00 0.00 H new ATOM 0 HA ASP A 28 11.998 -13.672 2.932 1.00 0.00 H new ATOM 0 HB2 ASP A 28 14.249 -12.632 3.064 1.00 0.00 H new ATOM 0 HB3 ASP A 28 13.542 -11.159 3.698 1.00 0.00 H new ATOM 445 N GLU A 29 10.577 -12.544 4.862 1.00 0.00 N ATOM 446 CA GLU A 29 9.686 -11.966 5.867 1.00 0.00 C ATOM 447 C GLU A 29 10.157 -10.565 6.267 1.00 0.00 C ATOM 448 O GLU A 29 9.333 -9.659 6.372 1.00 0.00 O ATOM 449 CB GLU A 29 9.457 -12.885 7.089 1.00 0.00 C ATOM 450 CG GLU A 29 10.701 -13.276 7.915 1.00 0.00 C ATOM 451 CD GLU A 29 10.474 -13.179 9.436 1.00 0.00 C ATOM 452 OE1 GLU A 29 10.581 -12.051 9.982 1.00 0.00 O ATOM 453 OE2 GLU A 29 10.217 -14.221 10.077 1.00 0.00 O ATOM 0 H GLU A 29 10.887 -13.487 5.097 1.00 0.00 H new ATOM 0 HA GLU A 29 8.705 -11.871 5.402 1.00 0.00 H new ATOM 0 HB2 GLU A 29 8.749 -12.392 7.755 1.00 0.00 H new ATOM 0 HB3 GLU A 29 8.981 -13.801 6.739 1.00 0.00 H new ATOM 0 HG2 GLU A 29 10.992 -14.296 7.662 1.00 0.00 H new ATOM 0 HG3 GLU A 29 11.533 -12.629 7.636 1.00 0.00 H new ATOM 460 N LYS A 30 11.463 -10.317 6.418 1.00 0.00 N ATOM 461 CA LYS A 30 11.946 -9.003 6.786 1.00 0.00 C ATOM 462 C LYS A 30 11.804 -7.959 5.718 1.00 0.00 C ATOM 463 O LYS A 30 11.508 -6.815 6.029 1.00 0.00 O ATOM 464 CB LYS A 30 13.382 -9.160 7.246 1.00 0.00 C ATOM 465 CG LYS A 30 13.493 -10.128 8.448 1.00 0.00 C ATOM 466 CD LYS A 30 13.063 -9.623 9.840 1.00 0.00 C ATOM 467 CE LYS A 30 11.581 -9.218 9.839 1.00 0.00 C ATOM 468 NZ LYS A 30 10.807 -9.585 11.031 1.00 0.00 N ATOM 0 H LYS A 30 12.195 -11.015 6.289 1.00 0.00 H new ATOM 0 HA LYS A 30 11.317 -8.620 7.590 1.00 0.00 H new ATOM 0 HB2 LYS A 30 13.990 -9.532 6.421 1.00 0.00 H new ATOM 0 HB3 LYS A 30 13.784 -8.186 7.524 1.00 0.00 H new ATOM 0 HG2 LYS A 30 12.899 -11.012 8.218 1.00 0.00 H new ATOM 0 HG3 LYS A 30 14.532 -10.451 8.519 1.00 0.00 H new ATOM 0 HD2 LYS A 30 13.231 -10.403 10.583 1.00 0.00 H new ATOM 0 HD3 LYS A 30 13.678 -8.770 10.128 1.00 0.00 H new ATOM 0 HE2 LYS A 30 11.522 -8.137 9.712 1.00 0.00 H new ATOM 0 HE3 LYS A 30 11.104 -9.668 8.969 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 9.970 -8.972 11.104 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 10.504 -10.577 10.956 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 11.398 -9.467 11.879 1.00 0.00 H new ATOM 482 N LYS A 31 11.984 -8.336 4.471 1.00 0.00 N ATOM 483 CA LYS A 31 11.659 -7.526 3.335 1.00 0.00 C ATOM 484 C LYS A 31 10.165 -7.180 3.339 1.00 0.00 C ATOM 485 O LYS A 31 9.817 -6.053 2.991 1.00 0.00 O ATOM 486 CB LYS A 31 12.137 -8.301 2.109 1.00 0.00 C ATOM 487 CG LYS A 31 12.673 -7.390 1.003 1.00 0.00 C ATOM 488 CD LYS A 31 11.744 -7.105 -0.188 1.00 0.00 C ATOM 489 CE LYS A 31 10.504 -6.242 0.079 1.00 0.00 C ATOM 490 NZ LYS A 31 10.815 -4.858 0.517 1.00 0.00 N ATOM 0 H LYS A 31 12.373 -9.245 4.220 1.00 0.00 H new ATOM 0 HA LYS A 31 12.156 -6.556 3.343 1.00 0.00 H new ATOM 0 HB2 LYS A 31 12.918 -9.000 2.408 1.00 0.00 H new ATOM 0 HB3 LYS A 31 11.312 -8.895 1.716 1.00 0.00 H new ATOM 0 HG2 LYS A 31 12.945 -6.436 1.454 1.00 0.00 H new ATOM 0 HG3 LYS A 31 13.591 -7.833 0.616 1.00 0.00 H new ATOM 0 HD2 LYS A 31 12.332 -6.619 -0.966 1.00 0.00 H new ATOM 0 HD3 LYS A 31 11.410 -8.061 -0.591 1.00 0.00 H new ATOM 0 HE2 LYS A 31 9.902 -6.198 -0.829 1.00 0.00 H new ATOM 0 HE3 LYS A 31 9.895 -6.726 0.843 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 9.929 -4.337 0.677 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 11.364 -4.888 1.400 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 11.370 -4.377 -0.219 1.00 0.00 H new ATOM 504 N GLN A 32 9.274 -8.092 3.737 1.00 0.00 N ATOM 505 CA GLN A 32 7.865 -7.755 3.905 1.00 0.00 C ATOM 506 C GLN A 32 7.632 -6.816 5.092 1.00 0.00 C ATOM 507 O GLN A 32 6.834 -5.900 4.954 1.00 0.00 O ATOM 508 CB GLN A 32 6.989 -9.007 4.005 1.00 0.00 C ATOM 509 CG GLN A 32 7.138 -9.880 2.748 1.00 0.00 C ATOM 510 CD GLN A 32 5.886 -10.704 2.462 1.00 0.00 C ATOM 511 OE1 GLN A 32 4.769 -10.210 2.531 1.00 0.00 O ATOM 512 NE2 GLN A 32 6.042 -11.972 2.125 1.00 0.00 N ATOM 0 H GLN A 32 9.505 -9.063 3.947 1.00 0.00 H new ATOM 0 HA GLN A 32 7.565 -7.216 3.007 1.00 0.00 H new ATOM 0 HB2 GLN A 32 7.268 -9.582 4.888 1.00 0.00 H new ATOM 0 HB3 GLN A 32 5.946 -8.717 4.130 1.00 0.00 H new ATOM 0 HG2 GLN A 32 7.355 -9.243 1.890 1.00 0.00 H new ATOM 0 HG3 GLN A 32 7.990 -10.549 2.872 1.00 0.00 H new ATOM 0 HE21 GLN A 32 6.978 -12.374 2.070 1.00 0.00 H new ATOM 0 HE22 GLN A 32 5.226 -12.549 1.919 1.00 0.00 H new ATOM 521 N ASP A 33 8.327 -6.985 6.217 1.00 0.00 N ATOM 522 CA ASP A 33 8.302 -6.088 7.394 1.00 0.00 C ATOM 523 C ASP A 33 8.763 -4.676 6.999 1.00 0.00 C ATOM 524 O ASP A 33 8.196 -3.664 7.399 1.00 0.00 O ATOM 525 CB ASP A 33 9.249 -6.672 8.467 1.00 0.00 C ATOM 526 CG ASP A 33 8.790 -6.561 9.925 1.00 0.00 C ATOM 527 OD1 ASP A 33 7.848 -5.804 10.228 1.00 0.00 O ATOM 528 OD2 ASP A 33 9.399 -7.295 10.746 1.00 0.00 O ATOM 0 H ASP A 33 8.952 -7.781 6.348 1.00 0.00 H new ATOM 0 HA ASP A 33 7.287 -6.017 7.785 1.00 0.00 H new ATOM 0 HB2 ASP A 33 9.411 -7.726 8.241 1.00 0.00 H new ATOM 0 HB3 ASP A 33 10.215 -6.175 8.376 1.00 0.00 H new ATOM 533 N ASP A 34 9.771 -4.615 6.133 1.00 0.00 N ATOM 534 CA ASP A 34 10.358 -3.416 5.537 1.00 0.00 C ATOM 535 C ASP A 34 9.378 -2.707 4.600 1.00 0.00 C ATOM 536 O ASP A 34 9.241 -1.480 4.639 1.00 0.00 O ATOM 537 CB ASP A 34 11.627 -3.824 4.779 1.00 0.00 C ATOM 538 CG ASP A 34 11.983 -2.891 3.626 1.00 0.00 C ATOM 539 OD1 ASP A 34 12.318 -1.716 3.894 1.00 0.00 O ATOM 540 OD2 ASP A 34 11.887 -3.362 2.468 1.00 0.00 O ATOM 0 H ASP A 34 10.233 -5.463 5.805 1.00 0.00 H new ATOM 0 HA ASP A 34 10.601 -2.709 6.330 1.00 0.00 H new ATOM 0 HB2 ASP A 34 12.462 -3.857 5.479 1.00 0.00 H new ATOM 0 HB3 ASP A 34 11.498 -4.834 4.390 1.00 0.00 H new ATOM 545 N ASN A 35 8.660 -3.483 3.781 1.00 0.00 N ATOM 546 CA ASN A 35 7.439 -2.981 3.149 1.00 0.00 C ATOM 547 C ASN A 35 6.483 -2.492 4.213 1.00 0.00 C ATOM 548 O ASN A 35 5.862 -1.474 3.985 1.00 0.00 O ATOM 549 CB ASN A 35 6.693 -3.999 2.259 1.00 0.00 C ATOM 550 CG ASN A 35 5.223 -3.594 2.081 1.00 0.00 C ATOM 551 OD1 ASN A 35 4.878 -2.907 1.135 1.00 0.00 O ATOM 552 ND2 ASN A 35 4.328 -3.987 2.981 1.00 0.00 N ATOM 0 H ASN A 35 8.899 -4.446 3.544 1.00 0.00 H new ATOM 0 HA ASN A 35 7.771 -2.180 2.489 1.00 0.00 H new ATOM 0 HB2 ASN A 35 7.178 -4.061 1.285 1.00 0.00 H new ATOM 0 HB3 ASN A 35 6.750 -4.991 2.707 1.00 0.00 H new ATOM 0 HD21 ASN A 35 3.350 -3.714 2.881 1.00 0.00 H new ATOM 0 HD22 ASN A 35 4.619 -4.562 3.772 1.00 0.00 H new ATOM 559 N LEU A 36 6.250 -3.231 5.290 1.00 0.00 N ATOM 560 CA LEU A 36 5.106 -3.019 6.141 1.00 0.00 C ATOM 561 C LEU A 36 5.212 -1.716 6.914 1.00 0.00 C ATOM 562 O LEU A 36 4.247 -0.960 6.956 1.00 0.00 O ATOM 563 CB LEU A 36 4.868 -4.304 6.949 1.00 0.00 C ATOM 564 CG LEU A 36 3.876 -5.263 6.272 1.00 0.00 C ATOM 565 CD1 LEU A 36 3.721 -6.526 7.119 1.00 0.00 C ATOM 566 CD2 LEU A 36 2.502 -4.645 5.997 1.00 0.00 C ATOM 0 H LEU A 36 6.856 -3.994 5.591 1.00 0.00 H new ATOM 0 HA LEU A 36 4.193 -2.857 5.568 1.00 0.00 H new ATOM 0 HB2 LEU A 36 5.819 -4.817 7.095 1.00 0.00 H new ATOM 0 HB3 LEU A 36 4.493 -4.041 7.938 1.00 0.00 H new ATOM 0 HG LEU A 36 4.299 -5.504 5.297 1.00 0.00 H new ATOM 0 HD11 LEU A 36 3.017 -7.204 6.636 1.00 0.00 H new ATOM 0 HD12 LEU A 36 4.688 -7.018 7.219 1.00 0.00 H new ATOM 0 HD13 LEU A 36 3.347 -6.258 8.107 1.00 0.00 H new ATOM 0 HD21 LEU A 36 1.860 -5.384 5.518 1.00 0.00 H new ATOM 0 HD22 LEU A 36 2.051 -4.327 6.937 1.00 0.00 H new ATOM 0 HD23 LEU A 36 2.616 -3.783 5.339 1.00 0.00 H new ATOM 578 N GLU A 37 6.414 -1.377 7.356 1.00 0.00 N ATOM 579 CA GLU A 37 6.792 -0.033 7.792 1.00 0.00 C ATOM 580 C GLU A 37 6.424 0.950 6.698 1.00 0.00 C ATOM 581 O GLU A 37 5.695 1.905 6.947 1.00 0.00 O ATOM 582 CB GLU A 37 8.304 0.001 8.108 1.00 0.00 C ATOM 583 CG GLU A 37 8.907 1.399 8.378 1.00 0.00 C ATOM 584 CD GLU A 37 9.165 2.268 7.127 1.00 0.00 C ATOM 585 OE1 GLU A 37 9.798 1.777 6.161 1.00 0.00 O ATOM 586 OE2 GLU A 37 8.754 3.451 7.143 1.00 0.00 O ATOM 0 H GLU A 37 7.180 -2.047 7.425 1.00 0.00 H new ATOM 0 HA GLU A 37 6.259 0.244 8.702 1.00 0.00 H new ATOM 0 HB2 GLU A 37 8.487 -0.627 8.980 1.00 0.00 H new ATOM 0 HB3 GLU A 37 8.840 -0.449 7.273 1.00 0.00 H new ATOM 0 HG2 GLU A 37 8.236 1.942 9.043 1.00 0.00 H new ATOM 0 HG3 GLU A 37 9.850 1.272 8.911 1.00 0.00 H new ATOM 593 N HIS A 38 6.891 0.705 5.478 1.00 0.00 N ATOM 594 CA HIS A 38 6.665 1.624 4.385 1.00 0.00 C ATOM 595 C HIS A 38 5.162 1.831 4.121 1.00 0.00 C ATOM 596 O HIS A 38 4.721 2.971 3.996 1.00 0.00 O ATOM 597 CB HIS A 38 7.440 1.167 3.149 1.00 0.00 C ATOM 598 CG HIS A 38 7.525 2.296 2.182 1.00 0.00 C ATOM 599 ND1 HIS A 38 8.296 3.430 2.324 1.00 0.00 N ATOM 600 CD2 HIS A 38 6.651 2.492 1.157 1.00 0.00 C ATOM 601 CE1 HIS A 38 7.888 4.306 1.396 1.00 0.00 C ATOM 602 NE2 HIS A 38 6.917 3.761 0.652 1.00 0.00 N ATOM 0 H HIS A 38 7.428 -0.125 5.228 1.00 0.00 H new ATOM 0 HA HIS A 38 7.049 2.606 4.660 1.00 0.00 H new ATOM 0 HB2 HIS A 38 8.440 0.839 3.432 1.00 0.00 H new ATOM 0 HB3 HIS A 38 6.943 0.314 2.688 1.00 0.00 H new ATOM 0 HD1 HIS A 38 9.039 3.575 3.008 1.00 0.00 H new ATOM 0 HD2 HIS A 38 5.900 1.800 0.805 1.00 0.00 H new ATOM 0 HE1 HIS A 38 8.283 5.303 1.267 1.00 0.00 H new ATOM 610 N PHE A 39 4.374 0.754 4.100 1.00 0.00 N ATOM 611 CA PHE A 39 2.914 0.652 3.995 1.00 0.00 C ATOM 612 C PHE A 39 2.166 1.312 5.162 1.00 0.00 C ATOM 613 O PHE A 39 0.953 1.515 5.082 1.00 0.00 O ATOM 614 CB PHE A 39 2.534 -0.838 3.913 1.00 0.00 C ATOM 615 CG PHE A 39 1.042 -1.117 3.763 1.00 0.00 C ATOM 616 CD1 PHE A 39 0.338 -0.478 2.736 1.00 0.00 C ATOM 617 CD2 PHE A 39 0.342 -1.992 4.617 1.00 0.00 C ATOM 618 CE1 PHE A 39 -1.039 -0.673 2.547 1.00 0.00 C ATOM 619 CE2 PHE A 39 -1.034 -2.222 4.406 1.00 0.00 C ATOM 620 CZ PHE A 39 -1.732 -1.539 3.403 1.00 0.00 C ATOM 0 H PHE A 39 4.790 -0.175 4.163 1.00 0.00 H new ATOM 0 HA PHE A 39 2.613 1.192 3.097 1.00 0.00 H new ATOM 0 HB2 PHE A 39 3.058 -1.285 3.068 1.00 0.00 H new ATOM 0 HB3 PHE A 39 2.893 -1.339 4.812 1.00 0.00 H new ATOM 0 HD1 PHE A 39 0.870 0.185 2.069 1.00 0.00 H new ATOM 0 HD2 PHE A 39 0.856 -2.484 5.429 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -1.559 -0.161 1.751 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -1.556 -2.935 5.027 1.00 0.00 H new ATOM 0 HZ PHE A 39 -2.797 -1.679 3.290 1.00 0.00 H new ATOM 630 N ILE A 40 2.850 1.705 6.224 1.00 0.00 N ATOM 631 CA ILE A 40 2.339 2.713 7.161 1.00 0.00 C ATOM 632 C ILE A 40 2.788 4.109 6.764 1.00 0.00 C ATOM 633 O ILE A 40 2.002 5.058 6.826 1.00 0.00 O ATOM 634 CB ILE A 40 2.842 2.435 8.612 1.00 0.00 C ATOM 635 CG1 ILE A 40 1.918 1.441 9.338 1.00 0.00 C ATOM 636 CG2 ILE A 40 2.905 3.671 9.543 1.00 0.00 C ATOM 637 CD1 ILE A 40 2.188 0.029 8.866 1.00 0.00 C ATOM 0 H ILE A 40 3.771 1.341 6.467 1.00 0.00 H new ATOM 0 HA ILE A 40 1.251 2.652 7.127 1.00 0.00 H new ATOM 0 HB ILE A 40 3.851 2.057 8.448 1.00 0.00 H new ATOM 0 HG12 ILE A 40 2.076 1.508 10.414 1.00 0.00 H new ATOM 0 HG13 ILE A 40 0.876 1.701 9.152 1.00 0.00 H new ATOM 0 HG21 ILE A 40 3.267 3.368 10.526 1.00 0.00 H new ATOM 0 HG22 ILE A 40 3.583 4.412 9.119 1.00 0.00 H new ATOM 0 HG23 ILE A 40 1.910 4.104 9.640 1.00 0.00 H new ATOM 0 HD11 ILE A 40 1.527 -0.662 9.389 1.00 0.00 H new ATOM 0 HD12 ILE A 40 2.007 -0.037 7.793 1.00 0.00 H new ATOM 0 HD13 ILE A 40 3.225 -0.233 9.076 1.00 0.00 H new ATOM 649 N SER A 41 4.054 4.229 6.386 1.00 0.00 N ATOM 650 CA SER A 41 4.787 5.456 6.414 1.00 0.00 C ATOM 651 C SER A 41 4.255 6.419 5.366 1.00 0.00 C ATOM 652 O SER A 41 3.898 7.562 5.641 1.00 0.00 O ATOM 653 CB SER A 41 6.271 5.143 6.230 1.00 0.00 C ATOM 654 OG SER A 41 7.054 5.419 7.369 1.00 0.00 O ATOM 0 H SER A 41 4.603 3.441 6.043 1.00 0.00 H new ATOM 0 HA SER A 41 4.661 5.954 7.376 1.00 0.00 H new ATOM 0 HB2 SER A 41 6.382 4.090 5.970 1.00 0.00 H new ATOM 0 HB3 SER A 41 6.653 5.721 5.388 1.00 0.00 H new ATOM 0 HG SER A 41 7.768 4.752 7.445 1.00 0.00 H new ATOM 660 N VAL A 42 4.208 5.921 4.134 1.00 0.00 N ATOM 661 CA VAL A 42 3.700 6.639 2.987 1.00 0.00 C ATOM 662 C VAL A 42 2.196 6.845 3.096 1.00 0.00 C ATOM 663 O VAL A 42 1.652 7.909 2.771 1.00 0.00 O ATOM 664 CB VAL A 42 4.162 5.901 1.750 1.00 0.00 C ATOM 665 CG1 VAL A 42 3.552 4.551 1.385 1.00 0.00 C ATOM 666 CG2 VAL A 42 4.028 6.817 0.577 1.00 0.00 C ATOM 0 H VAL A 42 4.533 4.981 3.908 1.00 0.00 H new ATOM 0 HA VAL A 42 4.096 7.653 2.930 1.00 0.00 H new ATOM 0 HB VAL A 42 5.182 5.624 2.015 1.00 0.00 H new ATOM 0 HG11 VAL A 42 4.011 4.180 0.468 1.00 0.00 H new ATOM 0 HG12 VAL A 42 3.730 3.841 2.193 1.00 0.00 H new ATOM 0 HG13 VAL A 42 2.479 4.666 1.233 1.00 0.00 H new ATOM 0 HG21 VAL A 42 4.357 6.302 -0.326 1.00 0.00 H new ATOM 0 HG22 VAL A 42 2.986 7.115 0.466 1.00 0.00 H new ATOM 0 HG23 VAL A 42 4.644 7.702 0.735 1.00 0.00 H new ATOM 676 N THR A 43 1.524 5.776 3.487 1.00 0.00 N ATOM 677 CA THR A 43 0.094 5.647 3.475 1.00 0.00 C ATOM 678 C THR A 43 -0.582 6.580 4.466 1.00 0.00 C ATOM 679 O THR A 43 -1.622 7.113 4.112 1.00 0.00 O ATOM 680 CB THR A 43 -0.284 4.182 3.664 1.00 0.00 C ATOM 681 OG1 THR A 43 0.803 3.342 3.341 1.00 0.00 O ATOM 682 CG2 THR A 43 -1.378 3.780 2.704 1.00 0.00 C ATOM 0 H THR A 43 1.992 4.940 3.836 1.00 0.00 H new ATOM 0 HA THR A 43 -0.282 5.966 2.503 1.00 0.00 H new ATOM 0 HB THR A 43 -0.593 4.077 4.704 1.00 0.00 H new ATOM 0 HG1 THR A 43 0.655 2.453 3.725 1.00 0.00 H new ATOM 0 HG21 THR A 43 -1.630 2.731 2.858 1.00 0.00 H new ATOM 0 HG22 THR A 43 -2.261 4.395 2.880 1.00 0.00 H new ATOM 0 HG23 THR A 43 -1.034 3.924 1.680 1.00 0.00 H new ATOM 690 N GLU A 44 -0.050 6.768 5.677 1.00 0.00 N ATOM 691 CA GLU A 44 -0.722 7.414 6.817 1.00 0.00 C ATOM 692 C GLU A 44 -2.022 6.679 7.201 1.00 0.00 C ATOM 693 O GLU A 44 -2.737 7.118 8.099 1.00 0.00 O ATOM 694 CB GLU A 44 -0.992 8.917 6.568 1.00 0.00 C ATOM 695 CG GLU A 44 0.249 9.801 6.350 1.00 0.00 C ATOM 696 CD GLU A 44 -0.121 11.148 5.704 1.00 0.00 C ATOM 697 OE1 GLU A 44 -1.225 11.686 5.949 1.00 0.00 O ATOM 698 OE2 GLU A 44 0.593 11.572 4.768 1.00 0.00 O ATOM 0 H GLU A 44 0.897 6.464 5.903 1.00 0.00 H new ATOM 0 HA GLU A 44 -0.033 7.345 7.659 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -1.637 9.010 5.694 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -1.549 9.311 7.418 1.00 0.00 H new ATOM 0 HG2 GLU A 44 0.742 9.979 7.306 1.00 0.00 H new ATOM 0 HG3 GLU A 44 0.963 9.276 5.715 1.00 0.00 H new ATOM 705 N HIS A 45 -2.337 5.568 6.523 1.00 0.00 N ATOM 706 CA HIS A 45 -3.563 4.807 6.709 1.00 0.00 C ATOM 707 C HIS A 45 -3.434 4.128 8.083 1.00 0.00 C ATOM 708 O HIS A 45 -2.551 3.286 8.238 1.00 0.00 O ATOM 709 CB HIS A 45 -3.792 3.804 5.549 1.00 0.00 C ATOM 710 CG HIS A 45 -5.165 3.146 5.614 1.00 0.00 C ATOM 711 ND1 HIS A 45 -5.581 2.398 6.696 1.00 0.00 N ATOM 712 CD2 HIS A 45 -6.230 3.200 4.725 1.00 0.00 C ATOM 713 CE1 HIS A 45 -6.874 2.089 6.519 1.00 0.00 C ATOM 714 NE2 HIS A 45 -7.295 2.551 5.343 1.00 0.00 N ATOM 0 H HIS A 45 -1.724 5.169 5.812 1.00 0.00 H new ATOM 0 HA HIS A 45 -4.445 5.447 6.689 1.00 0.00 H new ATOM 0 HB2 HIS A 45 -3.686 4.323 4.597 1.00 0.00 H new ATOM 0 HB3 HIS A 45 -3.021 3.034 5.580 1.00 0.00 H new ATOM 0 HD2 HIS A 45 -6.232 3.656 3.746 1.00 0.00 H new ATOM 0 HE1 HIS A 45 -7.484 1.546 7.226 1.00 0.00 H new ATOM 0 HE2 HIS A 45 -8.235 2.447 4.961 1.00 0.00 H new ATOM 722 N PRO A 46 -4.263 4.462 9.089 1.00 0.00 N ATOM 723 CA PRO A 46 -4.073 4.016 10.466 1.00 0.00 C ATOM 724 C PRO A 46 -4.156 2.495 10.596 1.00 0.00 C ATOM 725 O PRO A 46 -3.411 1.909 11.373 1.00 0.00 O ATOM 726 CB PRO A 46 -5.139 4.744 11.297 1.00 0.00 C ATOM 727 CG PRO A 46 -6.174 5.231 10.279 1.00 0.00 C ATOM 728 CD PRO A 46 -5.368 5.388 9.000 1.00 0.00 C ATOM 0 HA PRO A 46 -3.074 4.261 10.826 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -5.591 4.076 12.030 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -4.707 5.578 11.849 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -6.985 4.513 10.157 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -6.626 6.174 10.586 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -5.983 5.173 8.126 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -5.008 6.411 8.893 1.00 0.00 H new ATOM 736 N SER A 47 -5.013 1.856 9.801 1.00 0.00 N ATOM 737 CA SER A 47 -5.152 0.409 9.689 1.00 0.00 C ATOM 738 C SER A 47 -4.070 -0.196 8.770 1.00 0.00 C ATOM 739 O SER A 47 -4.294 -1.220 8.130 1.00 0.00 O ATOM 740 CB SER A 47 -6.575 0.082 9.205 1.00 0.00 C ATOM 741 OG SER A 47 -7.533 1.044 9.629 1.00 0.00 O ATOM 0 H SER A 47 -5.658 2.358 9.191 1.00 0.00 H new ATOM 0 HA SER A 47 -5.001 -0.046 10.668 1.00 0.00 H new ATOM 0 HB2 SER A 47 -6.580 0.025 8.116 1.00 0.00 H new ATOM 0 HB3 SER A 47 -6.864 -0.901 9.577 1.00 0.00 H new ATOM 0 HG SER A 47 -8.419 0.792 9.295 1.00 0.00 H new ATOM 747 N GLY A 48 -2.919 0.463 8.609 1.00 0.00 N ATOM 748 CA GLY A 48 -1.730 -0.132 8.010 1.00 0.00 C ATOM 749 C GLY A 48 -1.547 -1.578 8.479 1.00 0.00 C ATOM 750 O GLY A 48 -1.593 -1.879 9.669 1.00 0.00 O ATOM 0 H GLY A 48 -2.789 1.434 8.895 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -1.813 -0.106 6.924 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -0.851 0.455 8.277 1.00 0.00 H new ATOM 754 N SER A 49 -1.378 -2.470 7.509 1.00 0.00 N ATOM 755 CA SER A 49 -1.283 -3.925 7.602 1.00 0.00 C ATOM 756 C SER A 49 -2.566 -4.655 8.008 1.00 0.00 C ATOM 757 O SER A 49 -2.674 -5.845 7.719 1.00 0.00 O ATOM 758 CB SER A 49 -0.117 -4.316 8.519 1.00 0.00 C ATOM 759 OG SER A 49 0.397 -5.584 8.175 1.00 0.00 O ATOM 0 H SER A 49 -1.296 -2.162 6.540 1.00 0.00 H new ATOM 0 HA SER A 49 -1.100 -4.262 6.582 1.00 0.00 H new ATOM 0 HB2 SER A 49 0.673 -3.568 8.447 1.00 0.00 H new ATOM 0 HB3 SER A 49 -0.453 -4.326 9.556 1.00 0.00 H new ATOM 0 HG SER A 49 0.042 -6.259 8.790 1.00 0.00 H new ATOM 765 N ASP A 50 -3.557 -3.985 8.581 1.00 0.00 N ATOM 766 CA ASP A 50 -4.866 -4.565 8.892 1.00 0.00 C ATOM 767 C ASP A 50 -5.554 -4.988 7.594 1.00 0.00 C ATOM 768 O ASP A 50 -6.114 -6.076 7.509 1.00 0.00 O ATOM 769 CB ASP A 50 -5.681 -3.499 9.642 1.00 0.00 C ATOM 770 CG ASP A 50 -6.824 -4.018 10.508 1.00 0.00 C ATOM 771 OD1 ASP A 50 -6.611 -5.035 11.201 1.00 0.00 O ATOM 772 OD2 ASP A 50 -7.844 -3.294 10.573 1.00 0.00 O ATOM 0 H ASP A 50 -3.477 -3.004 8.850 1.00 0.00 H new ATOM 0 HA ASP A 50 -4.771 -5.452 9.518 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -5.001 -2.930 10.276 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -6.093 -2.804 8.910 1.00 0.00 H new ATOM 777 N LEU A 51 -5.379 -4.208 6.517 1.00 0.00 N ATOM 778 CA LEU A 51 -5.943 -4.489 5.204 1.00 0.00 C ATOM 779 C LEU A 51 -5.251 -5.662 4.516 1.00 0.00 C ATOM 780 O LEU A 51 -5.728 -6.104 3.473 1.00 0.00 O ATOM 781 CB LEU A 51 -5.803 -3.235 4.318 1.00 0.00 C ATOM 782 CG LEU A 51 -6.816 -2.098 4.539 1.00 0.00 C ATOM 783 CD1 LEU A 51 -8.240 -2.603 4.772 1.00 0.00 C ATOM 784 CD2 LEU A 51 -6.422 -1.195 5.702 1.00 0.00 C ATOM 0 H LEU A 51 -4.829 -3.349 6.543 1.00 0.00 H new ATOM 0 HA LEU A 51 -6.991 -4.756 5.343 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -4.802 -2.828 4.465 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -5.870 -3.549 3.276 1.00 0.00 H new ATOM 0 HG LEU A 51 -6.798 -1.525 3.612 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -8.907 -1.754 4.921 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -8.569 -3.175 3.905 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -8.260 -3.240 5.656 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -7.166 -0.408 5.820 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -6.369 -1.784 6.618 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -5.449 -0.747 5.501 1.00 0.00 H new ATOM 796 N ILE A 52 -4.129 -6.132 5.058 1.00 0.00 N ATOM 797 CA ILE A 52 -3.319 -7.197 4.488 1.00 0.00 C ATOM 798 C ILE A 52 -3.537 -8.468 5.326 1.00 0.00 C ATOM 799 O ILE A 52 -3.598 -9.559 4.763 1.00 0.00 O ATOM 800 CB ILE A 52 -1.858 -6.723 4.401 1.00 0.00 C ATOM 801 CG1 ILE A 52 -1.746 -5.686 3.260 1.00 0.00 C ATOM 802 CG2 ILE A 52 -0.782 -7.823 4.269 1.00 0.00 C ATOM 803 CD1 ILE A 52 -0.345 -5.096 3.121 1.00 0.00 C ATOM 0 H ILE A 52 -3.750 -5.768 5.933 1.00 0.00 H new ATOM 0 HA ILE A 52 -3.610 -7.445 3.467 1.00 0.00 H new ATOM 0 HB ILE A 52 -1.630 -6.281 5.371 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -2.030 -6.158 2.319 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -2.457 -4.880 3.439 1.00 0.00 H new ATOM 0 HG21 ILE A 52 0.205 -7.363 4.217 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -0.829 -8.484 5.135 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -0.961 -8.400 3.362 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -0.333 -4.376 2.303 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -0.067 -4.596 4.049 1.00 0.00 H new ATOM 0 HD13 ILE A 52 0.367 -5.894 2.912 1.00 0.00 H new ATOM 815 N TYR A 53 -3.654 -8.350 6.658 1.00 0.00 N ATOM 816 CA TYR A 53 -3.702 -9.481 7.569 1.00 0.00 C ATOM 817 C TYR A 53 -5.115 -9.821 8.032 1.00 0.00 C ATOM 818 O TYR A 53 -5.400 -11.007 8.215 1.00 0.00 O ATOM 819 CB TYR A 53 -2.817 -9.165 8.782 1.00 0.00 C ATOM 820 CG TYR A 53 -1.307 -9.173 8.572 1.00 0.00 C ATOM 821 CD1 TYR A 53 -0.693 -10.015 7.619 1.00 0.00 C ATOM 822 CD2 TYR A 53 -0.499 -8.372 9.404 1.00 0.00 C ATOM 823 CE1 TYR A 53 0.706 -10.063 7.505 1.00 0.00 C ATOM 824 CE2 TYR A 53 0.904 -8.414 9.294 1.00 0.00 C ATOM 825 CZ TYR A 53 1.512 -9.270 8.348 1.00 0.00 C ATOM 826 OH TYR A 53 2.866 -9.356 8.253 1.00 0.00 O ATOM 0 H TYR A 53 -3.718 -7.448 7.129 1.00 0.00 H new ATOM 0 HA TYR A 53 -3.338 -10.357 7.032 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -3.099 -8.181 9.157 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -3.051 -9.885 9.566 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -1.304 -10.627 6.972 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -0.960 -7.721 10.132 1.00 0.00 H new ATOM 0 HE1 TYR A 53 1.165 -10.708 6.771 1.00 0.00 H new ATOM 0 HE2 TYR A 53 1.515 -7.793 9.932 1.00 0.00 H new ATOM 0 HH TYR A 53 3.279 -8.746 8.900 1.00 0.00 H new ATOM 836 N TYR A 54 -5.998 -8.834 8.211 1.00 0.00 N ATOM 837 CA TYR A 54 -7.371 -9.051 8.661 1.00 0.00 C ATOM 838 C TYR A 54 -8.373 -8.407 7.684 1.00 0.00 C ATOM 839 O TYR A 54 -9.217 -7.616 8.104 1.00 0.00 O ATOM 840 CB TYR A 54 -7.500 -8.555 10.116 1.00 0.00 C ATOM 841 CG TYR A 54 -6.484 -9.146 11.090 1.00 0.00 C ATOM 842 CD1 TYR A 54 -6.277 -10.539 11.154 1.00 0.00 C ATOM 843 CD2 TYR A 54 -5.710 -8.297 11.905 1.00 0.00 C ATOM 844 CE1 TYR A 54 -5.281 -11.076 11.988 1.00 0.00 C ATOM 845 CE2 TYR A 54 -4.724 -8.825 12.757 1.00 0.00 C ATOM 846 CZ TYR A 54 -4.495 -10.217 12.789 1.00 0.00 C ATOM 847 OH TYR A 54 -3.510 -10.728 13.578 1.00 0.00 O ATOM 0 H TYR A 54 -5.775 -7.853 8.045 1.00 0.00 H new ATOM 0 HA TYR A 54 -7.617 -10.113 8.660 1.00 0.00 H new ATOM 0 HB2 TYR A 54 -7.400 -7.470 10.124 1.00 0.00 H new ATOM 0 HB3 TYR A 54 -8.503 -8.786 10.475 1.00 0.00 H new ATOM 0 HD1 TYR A 54 -6.889 -11.199 10.557 1.00 0.00 H new ATOM 0 HD2 TYR A 54 -5.876 -7.230 11.875 1.00 0.00 H new ATOM 0 HE1 TYR A 54 -5.117 -12.143 12.017 1.00 0.00 H new ATOM 0 HE2 TYR A 54 -4.143 -8.166 13.386 1.00 0.00 H new ATOM 0 HH TYR A 54 -3.067 -10.000 14.061 1.00 0.00 H new ATOM 857 N PRO A 55 -8.308 -8.729 6.376 1.00 0.00 N ATOM 858 CA PRO A 55 -9.178 -8.120 5.382 1.00 0.00 C ATOM 859 C PRO A 55 -10.618 -8.646 5.486 1.00 0.00 C ATOM 860 O PRO A 55 -10.878 -9.694 6.085 1.00 0.00 O ATOM 861 CB PRO A 55 -8.548 -8.519 4.053 1.00 0.00 C ATOM 862 CG PRO A 55 -7.986 -9.902 4.318 1.00 0.00 C ATOM 863 CD PRO A 55 -7.463 -9.739 5.743 1.00 0.00 C ATOM 0 HA PRO A 55 -9.257 -7.040 5.510 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -9.285 -8.534 3.250 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -7.766 -7.820 3.755 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -8.749 -10.677 4.245 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -7.195 -10.166 3.617 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -7.512 -10.683 6.286 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -6.419 -9.427 5.741 1.00 0.00 H new ATOM 871 N GLU A 56 -11.551 -7.966 4.815 1.00 0.00 N ATOM 872 CA GLU A 56 -12.914 -8.389 4.618 1.00 0.00 C ATOM 873 C GLU A 56 -13.323 -8.239 3.155 1.00 0.00 C ATOM 874 O GLU A 56 -12.491 -8.143 2.260 1.00 0.00 O ATOM 875 CB GLU A 56 -13.832 -7.622 5.565 1.00 0.00 C ATOM 876 CG GLU A 56 -14.139 -6.135 5.290 1.00 0.00 C ATOM 877 CD GLU A 56 -15.659 -5.886 5.316 1.00 0.00 C ATOM 878 OE1 GLU A 56 -16.341 -6.454 4.429 1.00 0.00 O ATOM 879 OE2 GLU A 56 -16.142 -5.178 6.227 1.00 0.00 O ATOM 0 H GLU A 56 -11.354 -7.065 4.379 1.00 0.00 H new ATOM 0 HA GLU A 56 -13.005 -9.449 4.856 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -14.784 -8.151 5.596 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -13.399 -7.687 6.563 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -13.649 -5.512 6.038 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -13.734 -5.847 4.320 1.00 0.00 H new ATOM 886 N GLY A 57 -14.622 -8.175 2.913 1.00 0.00 N ATOM 887 CA GLY A 57 -15.145 -7.736 1.630 1.00 0.00 C ATOM 888 C GLY A 57 -14.743 -8.662 0.493 1.00 0.00 C ATOM 889 O GLY A 57 -14.701 -9.881 0.645 1.00 0.00 O ATOM 0 H GLY A 57 -15.339 -8.424 3.595 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -16.232 -7.681 1.683 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -14.785 -6.729 1.419 1.00 0.00 H new ATOM 893 N ASN A 58 -14.478 -8.051 -0.662 1.00 0.00 N ATOM 894 CA ASN A 58 -13.664 -8.662 -1.707 1.00 0.00 C ATOM 895 C ASN A 58 -12.284 -7.997 -1.677 1.00 0.00 C ATOM 896 O ASN A 58 -11.637 -7.789 -2.712 1.00 0.00 O ATOM 897 CB ASN A 58 -14.330 -8.625 -3.095 1.00 0.00 C ATOM 898 CG ASN A 58 -15.256 -9.757 -3.331 1.00 0.00 C ATOM 899 OD1 ASN A 58 -16.471 -9.614 -3.447 1.00 0.00 O ATOM 900 ND2 ASN A 58 -14.674 -10.881 -3.588 1.00 0.00 N ATOM 0 H ASN A 58 -14.822 -7.120 -0.897 1.00 0.00 H new ATOM 0 HA ASN A 58 -13.555 -9.728 -1.506 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -14.877 -7.688 -3.203 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -13.556 -8.632 -3.862 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -15.225 -11.682 -3.897 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -13.663 -10.968 -3.482 1.00 0.00 H new ATOM 907 N ASN A 59 -11.824 -7.594 -0.485 1.00 0.00 N ATOM 908 CA ASN A 59 -10.401 -7.368 -0.257 1.00 0.00 C ATOM 909 C ASN A 59 -9.696 -8.715 -0.163 1.00 0.00 C ATOM 910 O ASN A 59 -9.283 -9.186 0.889 1.00 0.00 O ATOM 911 CB ASN A 59 -10.199 -6.461 0.961 1.00 0.00 C ATOM 912 CG ASN A 59 -8.756 -6.084 1.226 1.00 0.00 C ATOM 913 OD1 ASN A 59 -7.939 -5.962 0.319 1.00 0.00 O ATOM 914 ND2 ASN A 59 -8.461 -5.862 2.495 1.00 0.00 N ATOM 0 H ASN A 59 -12.416 -7.420 0.327 1.00 0.00 H new ATOM 0 HA ASN A 59 -9.947 -6.835 -1.092 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -10.780 -5.550 0.821 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -10.599 -6.962 1.843 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -7.518 -5.575 2.757 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -9.177 -5.977 3.213 1.00 0.00 H new ATOM 921 N ASP A 60 -9.641 -9.349 -1.325 1.00 0.00 N ATOM 922 CA ASP A 60 -9.263 -10.738 -1.560 1.00 0.00 C ATOM 923 C ASP A 60 -8.746 -10.875 -2.988 1.00 0.00 C ATOM 924 O ASP A 60 -7.876 -11.699 -3.260 1.00 0.00 O ATOM 925 CB ASP A 60 -10.464 -11.694 -1.354 1.00 0.00 C ATOM 926 CG ASP A 60 -11.382 -11.861 -2.582 1.00 0.00 C ATOM 927 OD1 ASP A 60 -11.930 -10.841 -3.064 1.00 0.00 O ATOM 928 OD2 ASP A 60 -11.573 -13.005 -3.046 1.00 0.00 O ATOM 0 H ASP A 60 -9.877 -8.871 -2.195 1.00 0.00 H new ATOM 0 HA ASP A 60 -8.488 -11.011 -0.844 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -10.084 -12.674 -1.067 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -11.062 -11.328 -0.519 1.00 0.00 H new ATOM 933 N GLY A 61 -9.263 -10.045 -3.903 1.00 0.00 N ATOM 934 CA GLY A 61 -9.178 -10.377 -5.316 1.00 0.00 C ATOM 935 C GLY A 61 -7.763 -10.222 -5.867 1.00 0.00 C ATOM 936 O GLY A 61 -7.401 -10.872 -6.851 1.00 0.00 O ATOM 0 H GLY A 61 -9.731 -9.164 -3.691 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -9.513 -11.403 -5.466 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -9.856 -9.735 -5.878 1.00 0.00 H new ATOM 940 N SER A 62 -6.979 -9.291 -5.314 1.00 0.00 N ATOM 941 CA SER A 62 -5.700 -8.867 -5.797 1.00 0.00 C ATOM 942 C SER A 62 -5.153 -7.784 -4.847 1.00 0.00 C ATOM 943 O SER A 62 -5.948 -7.203 -4.101 1.00 0.00 O ATOM 944 CB SER A 62 -6.018 -8.229 -7.143 1.00 0.00 C ATOM 945 OG SER A 62 -5.698 -9.105 -8.198 1.00 0.00 O ATOM 0 H SER A 62 -7.255 -8.795 -4.467 1.00 0.00 H new ATOM 0 HA SER A 62 -4.970 -9.673 -5.866 1.00 0.00 H new ATOM 0 HB2 SER A 62 -7.076 -7.970 -7.187 1.00 0.00 H new ATOM 0 HB3 SER A 62 -5.458 -7.300 -7.252 1.00 0.00 H new ATOM 0 HG SER A 62 -6.152 -9.962 -8.061 1.00 0.00 H new ATOM 951 N PRO A 63 -3.891 -7.330 -5.018 1.00 0.00 N ATOM 952 CA PRO A 63 -3.358 -6.089 -4.421 1.00 0.00 C ATOM 953 C PRO A 63 -4.152 -4.818 -4.802 1.00 0.00 C ATOM 954 O PRO A 63 -3.850 -3.711 -4.368 1.00 0.00 O ATOM 955 CB PRO A 63 -1.906 -6.003 -4.923 1.00 0.00 C ATOM 956 CG PRO A 63 -1.906 -6.802 -6.220 1.00 0.00 C ATOM 957 CD PRO A 63 -2.893 -7.921 -5.904 1.00 0.00 C ATOM 0 HA PRO A 63 -3.435 -6.131 -3.335 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -1.605 -4.969 -5.093 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -1.209 -6.423 -4.198 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -2.230 -6.201 -7.070 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -0.916 -7.188 -6.461 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -3.355 -8.304 -6.814 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -2.392 -8.761 -5.424 1.00 0.00 H new ATOM 965 N GLU A 64 -5.184 -4.966 -5.625 1.00 0.00 N ATOM 966 CA GLU A 64 -6.104 -3.961 -6.091 1.00 0.00 C ATOM 967 C GLU A 64 -6.820 -3.376 -4.899 1.00 0.00 C ATOM 968 O GLU A 64 -6.796 -2.167 -4.713 1.00 0.00 O ATOM 969 CB GLU A 64 -7.127 -4.658 -7.003 1.00 0.00 C ATOM 970 CG GLU A 64 -6.611 -4.867 -8.426 1.00 0.00 C ATOM 971 CD GLU A 64 -7.066 -3.690 -9.283 1.00 0.00 C ATOM 972 OE1 GLU A 64 -6.515 -2.588 -9.076 1.00 0.00 O ATOM 973 OE2 GLU A 64 -8.096 -3.789 -9.984 1.00 0.00 O ATOM 0 H GLU A 64 -5.410 -5.882 -6.013 1.00 0.00 H new ATOM 0 HA GLU A 64 -5.584 -3.169 -6.631 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -7.391 -5.624 -6.572 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -8.040 -4.064 -7.037 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -5.523 -4.939 -8.428 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -6.993 -5.803 -8.834 1.00 0.00 H new ATOM 980 N ALA A 65 -7.480 -4.236 -4.128 1.00 0.00 N ATOM 981 CA ALA A 65 -8.427 -3.814 -3.121 1.00 0.00 C ATOM 982 C ALA A 65 -7.740 -2.995 -2.034 1.00 0.00 C ATOM 983 O ALA A 65 -8.331 -2.012 -1.595 1.00 0.00 O ATOM 984 CB ALA A 65 -9.131 -5.052 -2.568 1.00 0.00 C ATOM 0 H ALA A 65 -7.367 -5.248 -4.191 1.00 0.00 H new ATOM 0 HA ALA A 65 -9.177 -3.157 -3.561 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -9.850 -4.752 -1.806 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -9.652 -5.566 -3.376 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -8.394 -5.723 -2.127 1.00 0.00 H new ATOM 990 N VAL A 66 -6.484 -3.305 -1.686 1.00 0.00 N ATOM 991 CA VAL A 66 -5.766 -2.437 -0.747 1.00 0.00 C ATOM 992 C VAL A 66 -5.492 -1.094 -1.432 1.00 0.00 C ATOM 993 O VAL A 66 -5.736 -0.062 -0.824 1.00 0.00 O ATOM 994 CB VAL A 66 -4.465 -3.080 -0.218 1.00 0.00 C ATOM 995 CG1 VAL A 66 -3.766 -2.159 0.780 1.00 0.00 C ATOM 996 CG2 VAL A 66 -4.640 -4.474 0.432 1.00 0.00 C ATOM 0 H VAL A 66 -5.963 -4.114 -2.024 1.00 0.00 H new ATOM 0 HA VAL A 66 -6.393 -2.282 0.131 1.00 0.00 H new ATOM 0 HB VAL A 66 -3.857 -3.225 -1.111 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -2.853 -2.635 1.137 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -3.517 -1.217 0.292 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -4.429 -1.967 1.624 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -3.672 -4.841 0.772 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -5.317 -4.396 1.283 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -5.055 -5.167 -0.300 1.00 0.00 H new ATOM 1006 N ILE A 67 -5.008 -1.051 -2.682 1.00 0.00 N ATOM 1007 CA ILE A 67 -4.689 0.230 -3.341 1.00 0.00 C ATOM 1008 C ILE A 67 -5.866 1.160 -3.355 1.00 0.00 C ATOM 1009 O ILE A 67 -5.753 2.362 -3.140 1.00 0.00 O ATOM 1010 CB ILE A 67 -4.162 -0.013 -4.785 1.00 0.00 C ATOM 1011 CG1 ILE A 67 -2.659 0.236 -4.740 1.00 0.00 C ATOM 1012 CG2 ILE A 67 -4.734 0.864 -5.907 1.00 0.00 C ATOM 1013 CD1 ILE A 67 -2.084 -0.819 -3.815 1.00 0.00 C ATOM 0 H ILE A 67 -4.829 -1.877 -3.254 1.00 0.00 H new ATOM 0 HA ILE A 67 -3.903 0.710 -2.758 1.00 0.00 H new ATOM 0 HB ILE A 67 -4.474 -1.025 -5.042 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -2.222 0.161 -5.736 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -2.441 1.238 -4.371 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -4.277 0.584 -6.856 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -5.813 0.720 -5.967 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -4.519 1.911 -5.696 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -1.004 -0.690 -3.743 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -2.528 -0.716 -2.825 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -2.306 -1.810 -4.211 1.00 0.00 H new ATOM 1025 N LYS A 68 -6.974 0.547 -3.684 1.00 0.00 N ATOM 1026 CA LYS A 68 -8.282 1.147 -3.712 1.00 0.00 C ATOM 1027 C LYS A 68 -8.601 1.708 -2.353 1.00 0.00 C ATOM 1028 O LYS A 68 -8.759 2.913 -2.275 1.00 0.00 O ATOM 1029 CB LYS A 68 -9.264 0.121 -4.274 1.00 0.00 C ATOM 1030 CG LYS A 68 -8.883 -0.002 -5.761 1.00 0.00 C ATOM 1031 CD LYS A 68 -9.794 -0.830 -6.663 1.00 0.00 C ATOM 1032 CE LYS A 68 -9.009 -1.011 -7.972 1.00 0.00 C ATOM 1033 NZ LYS A 68 -9.659 -1.924 -8.930 1.00 0.00 N ATOM 0 H LYS A 68 -6.988 -0.437 -3.954 1.00 0.00 H new ATOM 0 HA LYS A 68 -8.347 2.007 -4.379 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -9.175 -0.836 -3.761 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -10.296 0.452 -4.155 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -8.825 1.004 -6.176 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -7.881 -0.427 -5.816 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -10.029 -1.792 -6.208 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -10.742 -0.321 -6.839 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -8.877 -0.037 -8.444 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -8.014 -1.390 -7.739 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -8.949 -2.293 -9.594 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -10.095 -2.715 -8.415 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -10.392 -1.409 -9.458 1.00 0.00 H new ATOM 1047 N GLU A 69 -8.560 0.932 -1.287 1.00 0.00 N ATOM 1048 CA GLU A 69 -8.776 1.454 0.040 1.00 0.00 C ATOM 1049 C GLU A 69 -7.783 2.557 0.395 1.00 0.00 C ATOM 1050 O GLU A 69 -8.078 3.398 1.223 1.00 0.00 O ATOM 1051 CB GLU A 69 -8.595 0.295 1.015 1.00 0.00 C ATOM 1052 CG GLU A 69 -9.834 -0.056 1.864 1.00 0.00 C ATOM 1053 CD GLU A 69 -10.575 1.142 2.493 1.00 0.00 C ATOM 1054 OE1 GLU A 69 -11.402 1.750 1.772 1.00 0.00 O ATOM 1055 OE2 GLU A 69 -10.360 1.416 3.693 1.00 0.00 O ATOM 0 H GLU A 69 -8.377 -0.071 -1.320 1.00 0.00 H new ATOM 0 HA GLU A 69 -9.775 1.887 0.092 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -8.300 -0.590 0.450 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -7.771 0.533 1.687 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -10.537 -0.606 1.238 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -9.525 -0.729 2.664 1.00 0.00 H new ATOM 1062 N ILE A 70 -6.602 2.612 -0.213 1.00 0.00 N ATOM 1063 CA ILE A 70 -5.606 3.572 0.114 1.00 0.00 C ATOM 1064 C ILE A 70 -6.038 4.862 -0.558 1.00 0.00 C ATOM 1065 O ILE A 70 -6.226 5.859 0.135 1.00 0.00 O ATOM 1066 CB ILE A 70 -4.226 3.117 -0.284 1.00 0.00 C ATOM 1067 CG1 ILE A 70 -3.725 1.949 0.579 1.00 0.00 C ATOM 1068 CG2 ILE A 70 -3.300 4.316 -0.143 1.00 0.00 C ATOM 1069 CD1 ILE A 70 -4.472 1.334 1.771 1.00 0.00 C ATOM 0 H ILE A 70 -6.326 1.971 -0.957 1.00 0.00 H new ATOM 0 HA ILE A 70 -5.526 3.718 1.191 1.00 0.00 H new ATOM 0 HB ILE A 70 -4.247 2.749 -1.310 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -3.542 1.127 -0.113 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -2.755 2.261 0.966 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -2.287 4.028 -0.423 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -3.642 5.119 -0.796 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -3.307 4.661 0.891 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -3.879 0.522 2.192 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -4.634 2.097 2.532 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -5.434 0.945 1.436 1.00 0.00 H new ATOM 1081 N LYS A 71 -6.141 4.882 -1.899 1.00 0.00 N ATOM 1082 CA LYS A 71 -6.587 6.093 -2.578 1.00 0.00 C ATOM 1083 C LYS A 71 -7.900 6.565 -1.990 1.00 0.00 C ATOM 1084 O LYS A 71 -8.005 7.770 -1.777 1.00 0.00 O ATOM 1085 CB LYS A 71 -6.595 6.017 -4.101 1.00 0.00 C ATOM 1086 CG LYS A 71 -7.572 4.952 -4.547 1.00 0.00 C ATOM 1087 CD LYS A 71 -7.389 4.506 -5.992 1.00 0.00 C ATOM 1088 CE LYS A 71 -7.903 5.539 -7.001 1.00 0.00 C ATOM 1089 NZ LYS A 71 -7.325 5.307 -8.342 1.00 0.00 N ATOM 0 H LYS A 71 -5.927 4.095 -2.511 1.00 0.00 H new ATOM 0 HA LYS A 71 -5.830 6.853 -2.385 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -6.875 6.982 -4.523 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -5.596 5.786 -4.470 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -7.470 4.085 -3.895 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -8.587 5.329 -4.420 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -6.332 4.317 -6.178 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -7.913 3.563 -6.146 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -8.990 5.488 -7.057 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -7.648 6.543 -6.660 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -8.035 5.527 -9.069 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -6.495 5.920 -8.473 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -7.038 4.311 -8.429 1.00 0.00 H new ATOM 1103 N GLU A 72 -8.841 5.679 -1.659 1.00 0.00 N ATOM 1104 CA GLU A 72 -10.123 6.128 -1.235 1.00 0.00 C ATOM 1105 C GLU A 72 -10.146 6.516 0.253 1.00 0.00 C ATOM 1106 O GLU A 72 -10.769 7.529 0.586 1.00 0.00 O ATOM 1107 CB GLU A 72 -11.085 5.037 -1.682 1.00 0.00 C ATOM 1108 CG GLU A 72 -12.085 5.557 -2.700 1.00 0.00 C ATOM 1109 CD GLU A 72 -11.434 6.093 -3.994 1.00 0.00 C ATOM 1110 OE1 GLU A 72 -11.150 5.283 -4.909 1.00 0.00 O ATOM 1111 OE2 GLU A 72 -11.235 7.328 -4.076 1.00 0.00 O ATOM 0 H GLU A 72 -8.721 4.666 -1.683 1.00 0.00 H new ATOM 0 HA GLU A 72 -10.430 7.070 -1.689 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -10.522 4.209 -2.114 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -11.617 4.643 -0.816 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -12.778 4.756 -2.958 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -12.674 6.353 -2.244 1.00 0.00 H new ATOM 1118 N TRP A 73 -9.384 5.854 1.140 1.00 0.00 N ATOM 1119 CA TRP A 73 -9.130 6.342 2.493 1.00 0.00 C ATOM 1120 C TRP A 73 -8.535 7.741 2.421 1.00 0.00 C ATOM 1121 O TRP A 73 -9.064 8.664 3.050 1.00 0.00 O ATOM 1122 CB TRP A 73 -8.229 5.416 3.290 1.00 0.00 C ATOM 1123 CG TRP A 73 -8.055 5.857 4.704 1.00 0.00 C ATOM 1124 CD1 TRP A 73 -8.846 5.486 5.730 1.00 0.00 C ATOM 1125 CD2 TRP A 73 -7.054 6.742 5.263 1.00 0.00 C ATOM 1126 NE1 TRP A 73 -8.410 6.099 6.891 1.00 0.00 N ATOM 1127 CE2 TRP A 73 -7.337 6.934 6.644 1.00 0.00 C ATOM 1128 CE3 TRP A 73 -5.927 7.389 4.731 1.00 0.00 C ATOM 1129 CZ2 TRP A 73 -6.557 7.781 7.446 1.00 0.00 C ATOM 1130 CZ3 TRP A 73 -5.114 8.207 5.529 1.00 0.00 C ATOM 1131 CH2 TRP A 73 -5.436 8.416 6.875 1.00 0.00 C ATOM 0 H TRP A 73 -8.929 4.965 0.932 1.00 0.00 H new ATOM 0 HA TRP A 73 -10.083 6.371 3.021 1.00 0.00 H new ATOM 0 HB2 TRP A 73 -8.647 4.409 3.277 1.00 0.00 H new ATOM 0 HB3 TRP A 73 -7.253 5.362 2.808 1.00 0.00 H new ATOM 0 HD1 TRP A 73 -9.689 4.815 5.657 1.00 0.00 H new ATOM 0 HE1 TRP A 73 -8.827 5.953 7.811 1.00 0.00 H new ATOM 0 HE3 TRP A 73 -5.682 7.254 3.688 1.00 0.00 H new ATOM 0 HZ2 TRP A 73 -6.811 7.943 8.483 1.00 0.00 H new ATOM 0 HZ3 TRP A 73 -4.239 8.676 5.105 1.00 0.00 H new ATOM 0 HH2 TRP A 73 -4.822 9.067 7.479 1.00 0.00 H new ATOM 1142 N ARG A 74 -7.438 7.923 1.672 1.00 0.00 N ATOM 1143 CA ARG A 74 -6.760 9.203 1.548 1.00 0.00 C ATOM 1144 C ARG A 74 -7.715 10.227 0.965 1.00 0.00 C ATOM 1145 O ARG A 74 -7.769 11.335 1.488 1.00 0.00 O ATOM 1146 CB ARG A 74 -5.504 9.051 0.676 1.00 0.00 C ATOM 1147 CG ARG A 74 -4.497 8.052 1.263 1.00 0.00 C ATOM 1148 CD ARG A 74 -3.703 8.583 2.454 1.00 0.00 C ATOM 1149 NE ARG A 74 -2.347 9.056 2.123 1.00 0.00 N ATOM 1150 CZ ARG A 74 -1.663 9.971 2.825 1.00 0.00 C ATOM 1151 NH1 ARG A 74 -2.305 10.889 3.542 1.00 0.00 N ATOM 1152 NH2 ARG A 74 -0.335 9.967 2.802 1.00 0.00 N ATOM 0 H ARG A 74 -7.000 7.175 1.135 1.00 0.00 H new ATOM 0 HA ARG A 74 -6.444 9.549 2.532 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -5.796 8.723 -0.322 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -5.023 10.023 0.564 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -5.032 7.153 1.570 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -3.799 7.755 0.480 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -4.259 9.403 2.909 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -3.626 7.795 3.204 1.00 0.00 H new ATOM 0 HE ARG A 74 -1.896 8.658 1.299 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -3.325 10.900 3.561 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -1.778 11.582 4.073 1.00 0.00 H new ATOM 0 HH21 ARG A 74 0.163 9.268 2.251 1.00 0.00 H new ATOM 0 HH22 ARG A 74 0.186 10.663 3.336 1.00 0.00 H new ATOM 1166 N ALA A 75 -8.491 9.894 -0.062 1.00 0.00 N ATOM 1167 CA ALA A 75 -9.385 10.837 -0.683 1.00 0.00 C ATOM 1168 C ALA A 75 -10.523 11.231 0.238 1.00 0.00 C ATOM 1169 O ALA A 75 -10.899 12.401 0.231 1.00 0.00 O ATOM 1170 CB ALA A 75 -9.904 10.312 -2.025 1.00 0.00 C ATOM 0 H ALA A 75 -8.510 8.963 -0.478 1.00 0.00 H new ATOM 0 HA ALA A 75 -8.810 11.741 -0.882 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -10.576 11.047 -2.468 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -9.064 10.137 -2.697 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -10.442 9.377 -1.867 1.00 0.00 H new ATOM 1176 N ALA A 76 -11.046 10.331 1.067 1.00 0.00 N ATOM 1177 CA ALA A 76 -12.073 10.706 2.020 1.00 0.00 C ATOM 1178 C ALA A 76 -11.473 11.551 3.131 1.00 0.00 C ATOM 1179 O ALA A 76 -11.843 12.718 3.322 1.00 0.00 O ATOM 1180 CB ALA A 76 -12.793 9.460 2.549 1.00 0.00 C ATOM 0 H ALA A 76 -10.775 9.348 1.095 1.00 0.00 H new ATOM 0 HA ALA A 76 -12.825 11.318 1.522 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -13.560 9.759 3.263 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -13.257 8.928 1.719 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -12.074 8.806 3.042 1.00 0.00 H new ATOM 1186 N ASN A 77 -10.517 10.989 3.861 1.00 0.00 N ATOM 1187 CA ASN A 77 -9.968 11.577 5.052 1.00 0.00 C ATOM 1188 C ASN A 77 -9.185 12.837 4.717 1.00 0.00 C ATOM 1189 O ASN A 77 -9.191 13.793 5.493 1.00 0.00 O ATOM 1190 CB ASN A 77 -9.069 10.528 5.700 1.00 0.00 C ATOM 1191 CG ASN A 77 -9.895 9.455 6.391 1.00 0.00 C ATOM 1192 OD1 ASN A 77 -10.321 9.631 7.525 1.00 0.00 O ATOM 1193 ND2 ASN A 77 -10.199 8.377 5.693 1.00 0.00 N ATOM 0 H ASN A 77 -10.099 10.089 3.625 1.00 0.00 H new ATOM 0 HA ASN A 77 -10.762 11.872 5.738 1.00 0.00 H new ATOM 0 HB2 ASN A 77 -8.433 10.071 4.942 1.00 0.00 H new ATOM 0 HB3 ASN A 77 -8.409 11.006 6.424 1.00 0.00 H new ATOM 0 HD21 ASN A 77 -10.805 7.662 6.096 1.00 0.00 H new ATOM 0 HD22 ASN A 77 -9.828 8.259 4.750 1.00 0.00 H new ATOM 1200 N GLY A 78 -8.636 12.938 3.506 1.00 0.00 N ATOM 1201 CA GLY A 78 -7.522 13.843 3.237 1.00 0.00 C ATOM 1202 C GLY A 78 -7.484 14.389 1.818 1.00 0.00 C ATOM 1203 O GLY A 78 -6.512 15.051 1.483 1.00 0.00 O ATOM 0 H GLY A 78 -8.947 12.402 2.695 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -7.573 14.680 3.934 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -6.588 13.319 3.437 1.00 0.00 H new ATOM 1207 N LYS A 79 -8.541 14.167 1.024 1.00 0.00 N ATOM 1208 CA LYS A 79 -8.837 14.678 -0.289 1.00 0.00 C ATOM 1209 C LYS A 79 -7.624 15.175 -1.069 1.00 0.00 C ATOM 1210 O LYS A 79 -7.173 16.319 -0.996 1.00 0.00 O ATOM 1211 CB LYS A 79 -9.896 15.721 -0.166 1.00 0.00 C ATOM 1212 CG LYS A 79 -11.099 15.406 0.760 1.00 0.00 C ATOM 1213 CD LYS A 79 -11.427 16.520 1.764 1.00 0.00 C ATOM 1214 CE LYS A 79 -10.537 16.395 3.015 1.00 0.00 C ATOM 1215 NZ LYS A 79 -10.969 15.294 3.913 1.00 0.00 N ATOM 0 H LYS A 79 -9.288 13.549 1.341 1.00 0.00 H new ATOM 0 HA LYS A 79 -9.199 13.844 -0.890 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -9.427 16.638 0.191 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -10.283 15.928 -1.164 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -11.978 15.217 0.144 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -10.891 14.487 1.308 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -11.276 17.494 1.298 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -12.477 16.463 2.050 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -9.505 16.225 2.707 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -10.555 17.336 3.565 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -10.232 15.118 4.626 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -11.854 15.561 4.389 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -11.123 14.431 3.354 1.00 0.00 H new ATOM 1229 N SER A 80 -7.207 14.233 -1.872 1.00 0.00 N ATOM 1230 CA SER A 80 -5.940 13.945 -2.548 1.00 0.00 C ATOM 1231 C SER A 80 -5.804 12.415 -2.624 1.00 0.00 C ATOM 1232 O SER A 80 -6.610 11.692 -2.043 1.00 0.00 O ATOM 1233 CB SER A 80 -4.741 14.588 -1.827 1.00 0.00 C ATOM 1234 OG SER A 80 -4.755 15.991 -1.999 1.00 0.00 O ATOM 0 H SER A 80 -7.874 13.502 -2.121 1.00 0.00 H new ATOM 0 HA SER A 80 -5.942 14.378 -3.548 1.00 0.00 H new ATOM 0 HB2 SER A 80 -4.775 14.345 -0.765 1.00 0.00 H new ATOM 0 HB3 SER A 80 -3.810 14.177 -2.218 1.00 0.00 H new ATOM 0 HG SER A 80 -5.514 16.373 -1.511 1.00 0.00 H new ATOM 1240 N GLY A 81 -4.809 11.925 -3.357 1.00 0.00 N ATOM 1241 CA GLY A 81 -4.583 10.521 -3.682 1.00 0.00 C ATOM 1242 C GLY A 81 -3.124 10.349 -4.063 1.00 0.00 C ATOM 1243 O GLY A 81 -2.290 11.223 -3.775 1.00 0.00 O ATOM 0 H GLY A 81 -4.098 12.533 -3.764 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -4.830 9.889 -2.829 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -5.229 10.213 -4.504 1.00 0.00 H new ATOM 1247 N PHE A 82 -2.809 9.232 -4.721 1.00 0.00 N ATOM 1248 CA PHE A 82 -1.612 9.139 -5.504 1.00 0.00 C ATOM 1249 C PHE A 82 -1.618 10.152 -6.644 1.00 0.00 C ATOM 1250 O PHE A 82 -2.376 11.123 -6.702 1.00 0.00 O ATOM 1251 CB PHE A 82 -1.326 7.697 -5.974 1.00 0.00 C ATOM 1252 CG PHE A 82 -1.904 6.521 -5.194 1.00 0.00 C ATOM 1253 CD1 PHE A 82 -1.256 6.043 -4.039 1.00 0.00 C ATOM 1254 CD2 PHE A 82 -3.005 5.807 -5.706 1.00 0.00 C ATOM 1255 CE1 PHE A 82 -1.699 4.867 -3.406 1.00 0.00 C ATOM 1256 CE2 PHE A 82 -3.445 4.636 -5.059 1.00 0.00 C ATOM 1257 CZ PHE A 82 -2.811 4.174 -3.897 1.00 0.00 C ATOM 0 H PHE A 82 -3.379 8.386 -4.716 1.00 0.00 H new ATOM 0 HA PHE A 82 -0.775 9.402 -4.857 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -1.681 7.613 -7.001 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -0.244 7.571 -5.999 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -0.412 6.583 -3.636 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -3.511 6.157 -6.594 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -1.177 4.497 -2.536 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -4.282 4.086 -5.463 1.00 0.00 H new ATOM 0 HZ PHE A 82 -3.176 3.295 -3.387 1.00 0.00 H new ATOM 1267 N LYS A 83 -0.722 9.896 -7.584 1.00 0.00 N ATOM 1268 CA LYS A 83 -0.808 10.405 -8.924 1.00 0.00 C ATOM 1269 C LYS A 83 -2.214 10.128 -9.487 1.00 0.00 C ATOM 1270 O LYS A 83 -2.927 9.277 -8.973 1.00 0.00 O ATOM 1271 CB LYS A 83 0.261 9.664 -9.704 1.00 0.00 C ATOM 1272 CG LYS A 83 1.014 10.608 -10.671 1.00 0.00 C ATOM 1273 CD LYS A 83 2.181 11.356 -9.991 1.00 0.00 C ATOM 1274 CE LYS A 83 3.313 10.401 -9.566 1.00 0.00 C ATOM 1275 NZ LYS A 83 4.494 11.097 -9.008 1.00 0.00 N ATOM 0 H LYS A 83 0.100 9.314 -7.423 1.00 0.00 H new ATOM 0 HA LYS A 83 -0.652 11.482 -8.980 1.00 0.00 H new ATOM 0 HB2 LYS A 83 0.970 9.210 -9.011 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -0.197 8.852 -10.269 1.00 0.00 H new ATOM 0 HG2 LYS A 83 1.400 10.029 -11.510 1.00 0.00 H new ATOM 0 HG3 LYS A 83 0.313 11.335 -11.081 1.00 0.00 H new ATOM 0 HD2 LYS A 83 2.578 12.106 -10.675 1.00 0.00 H new ATOM 0 HD3 LYS A 83 1.809 11.888 -9.116 1.00 0.00 H new ATOM 0 HE2 LYS A 83 2.928 9.702 -8.823 1.00 0.00 H new ATOM 0 HE3 LYS A 83 3.623 9.811 -10.428 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 5.074 10.421 -8.472 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 5.058 11.499 -9.783 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 4.180 11.861 -8.376 1.00 0.00 H new