USER MOD reduce.3.24.130724 H: found=0, std=0, add=490, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 484 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 39 ASN : amide:sc= -9.08! C(o=-15!,f=-15!) USER MOD Set 1.2: A 68 TYR OH : rot -155:sc= -5.63! USER MOD Set 2.1: A 59 CYS SG : rot -144:sc= -7.19! USER MOD Set 2.2: A 62 CYS SG : rot 180:sc= 0.565 USER MOD Set 3.1: A 34 SER OG : rot 140:sc= -0.005 USER MOD Set 3.2: A 41 TYR OH : rot 180:sc= -1.12 USER MOD Set 4.1: A 7 CYS SG : rot 131:sc= 1.12 USER MOD Set 4.2: A 10 CYS SG : rot 58:sc= -2.22! USER MOD Set 4.3: A 11 ASN :FLIP amide:sc= -1.53 F(o=-11!,f=-0.85) USER MOD Set 4.4: A 24 CYS SG : rot -129:sc= 0.274 USER MOD Set 4.5: A 27 CYS SG : rot 155:sc= 1.52 USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 17 TYR OH : rot -133:sc= 0.811 USER MOD Single : A 18 HIS :FLIP no HD1:sc=-0.00729 F(o=-0.51,f=-0.0073) USER MOD Single : A 19 TYR OH : rot 14:sc= -3.9 USER MOD Single : A 23 SER OG : rot 150:sc= -4.11! USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ 156:sc= -0.214 (180deg=-0.995) USER MOD Single : A 36 GLN :FLIP amide:sc= -1.09 F(o=-1.8,f=-1.1) USER MOD Single : A 38 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 42 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ 153:sc= -1.31 (180deg=-1.87) USER MOD Single : A 54 ASN : amide:sc=-0.00479 X(o=-0.0048,f=-0.28) USER MOD Single : A 57 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.00923) USER MOD Single : A 58 SER OG : rot -149:sc=0.000221 USER MOD Single : A 60 GLN : amide:sc= 0 K(o=0,f=-1.2!) USER MOD Single : A 66 LYS NZ :NH3+ -172:sc= -6.04! (180deg=-6.15!) USER MOD Single : A 67 CYS SG : rot 39:sc= -0.727 USER MOD Single : A 72 MET CE :methyl 148:sc= -0.149 (180deg=-1.95!) USER MOD Single : A 73 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 74 LYS NZ :NH3+ 157:sc= -0.227 (180deg=-1.09) USER MOD ----------------------------------------------------------------- ATOM 71 N ARG A 5 -9.377 -13.277 -13.043 1.00 0.00 N ATOM 72 CA ARG A 5 -8.782 -11.904 -12.928 1.00 0.00 C ATOM 73 C ARG A 5 -7.822 -11.884 -11.753 1.00 0.00 C ATOM 74 O ARG A 5 -7.773 -12.815 -10.981 1.00 0.00 O ATOM 75 CB ARG A 5 -9.914 -10.838 -12.714 1.00 0.00 C ATOM 76 CG ARG A 5 -11.246 -11.313 -13.382 1.00 0.00 C ATOM 77 CD ARG A 5 -12.156 -11.979 -12.333 1.00 0.00 C ATOM 78 NE ARG A 5 -13.453 -12.336 -12.974 1.00 0.00 N ATOM 79 CZ ARG A 5 -13.457 -13.104 -14.029 1.00 0.00 C ATOM 80 NH1 ARG A 5 -13.346 -12.557 -15.209 1.00 0.00 N ATOM 81 NH2 ARG A 5 -13.574 -14.395 -13.870 1.00 0.00 N ATOM 0 HA ARG A 5 -8.248 -11.659 -13.846 1.00 0.00 H new ATOM 0 HB2 ARG A 5 -10.072 -10.676 -11.648 1.00 0.00 H new ATOM 0 HB3 ARG A 5 -9.607 -9.883 -13.140 1.00 0.00 H new ATOM 0 HG2 ARG A 5 -11.759 -10.463 -13.833 1.00 0.00 H new ATOM 0 HG3 ARG A 5 -11.028 -12.017 -14.185 1.00 0.00 H new ATOM 0 HD2 ARG A 5 -11.677 -12.871 -11.931 1.00 0.00 H new ATOM 0 HD3 ARG A 5 -12.324 -11.302 -11.495 1.00 0.00 H new ATOM 0 HE ARG A 5 -14.330 -11.983 -12.591 1.00 0.00 H new ATOM 0 HH11 ARG A 5 -13.258 -11.544 -15.296 1.00 0.00 H new ATOM 0 HH12 ARG A 5 -13.347 -13.142 -16.045 1.00 0.00 H new ATOM 0 HH21 ARG A 5 -13.660 -14.788 -12.933 1.00 0.00 H new ATOM 0 HH22 ARG A 5 -13.579 -15.011 -14.683 1.00 0.00 H new ATOM 95 N TYR A 6 -7.081 -10.826 -11.621 1.00 0.00 N ATOM 96 CA TYR A 6 -6.113 -10.757 -10.485 1.00 0.00 C ATOM 97 C TYR A 6 -5.931 -9.318 -10.012 1.00 0.00 C ATOM 98 O TYR A 6 -6.556 -8.420 -10.541 1.00 0.00 O ATOM 99 CB TYR A 6 -4.776 -11.311 -11.018 1.00 0.00 C ATOM 100 CG TYR A 6 -5.061 -12.498 -11.946 1.00 0.00 C ATOM 101 CD1 TYR A 6 -5.306 -13.746 -11.420 1.00 0.00 C ATOM 102 CD2 TYR A 6 -5.079 -12.337 -13.317 1.00 0.00 C ATOM 103 CE1 TYR A 6 -5.561 -14.814 -12.241 1.00 0.00 C ATOM 104 CE2 TYR A 6 -5.331 -13.412 -14.143 1.00 0.00 C ATOM 105 CZ TYR A 6 -5.574 -14.660 -13.610 1.00 0.00 C ATOM 106 OH TYR A 6 -5.825 -15.737 -14.434 1.00 0.00 O ATOM 0 H TYR A 6 -7.098 -10.014 -12.238 1.00 0.00 H new ATOM 0 HA TYR A 6 -6.475 -11.333 -9.633 1.00 0.00 H new ATOM 0 HB2 TYR A 6 -4.235 -10.533 -11.557 1.00 0.00 H new ATOM 0 HB3 TYR A 6 -4.142 -11.625 -10.189 1.00 0.00 H new ATOM 0 HD1 TYR A 6 -5.297 -13.886 -10.349 1.00 0.00 H new ATOM 0 HD2 TYR A 6 -4.895 -11.363 -13.745 1.00 0.00 H new ATOM 0 HE1 TYR A 6 -5.754 -15.786 -11.810 1.00 0.00 H new ATOM 0 HE2 TYR A 6 -5.338 -13.275 -15.214 1.00 0.00 H new ATOM 0 HH TYR A 6 -5.797 -15.447 -15.370 1.00 0.00 H new ATOM 116 N CYS A 7 -5.079 -9.101 -9.022 1.00 0.00 N ATOM 117 CA CYS A 7 -4.909 -7.710 -8.570 1.00 0.00 C ATOM 118 C CYS A 7 -4.386 -6.891 -9.703 1.00 0.00 C ATOM 119 O CYS A 7 -3.536 -7.326 -10.453 1.00 0.00 O ATOM 120 CB CYS A 7 -3.960 -7.604 -7.345 1.00 0.00 C ATOM 121 SG CYS A 7 -4.115 -6.082 -6.366 1.00 0.00 S ATOM 0 H CYS A 7 -4.525 -9.808 -8.538 1.00 0.00 H new ATOM 0 HA CYS A 7 -5.881 -7.333 -8.251 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -4.143 -8.456 -6.691 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -2.931 -7.686 -7.696 1.00 0.00 H new ATOM 0 HG CYS A 7 -4.207 -6.385 -5.105 1.00 0.00 H new ATOM 126 N ALA A 8 -4.904 -5.719 -9.818 1.00 0.00 N ATOM 127 CA ALA A 8 -4.464 -4.840 -10.903 1.00 0.00 C ATOM 128 C ALA A 8 -2.941 -4.865 -11.102 1.00 0.00 C ATOM 129 O ALA A 8 -2.481 -4.886 -12.224 1.00 0.00 O ATOM 130 CB ALA A 8 -4.920 -3.412 -10.577 1.00 0.00 C ATOM 0 H ALA A 8 -5.618 -5.331 -9.202 1.00 0.00 H new ATOM 0 HA ALA A 8 -4.908 -5.195 -11.833 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -4.603 -2.738 -11.373 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -6.006 -3.387 -10.492 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -4.475 -3.094 -9.634 1.00 0.00 H new ATOM 136 N VAL A 9 -2.175 -4.901 -10.022 1.00 0.00 N ATOM 137 CA VAL A 9 -0.676 -4.921 -10.207 1.00 0.00 C ATOM 138 C VAL A 9 0.093 -5.428 -8.965 1.00 0.00 C ATOM 139 O VAL A 9 1.050 -6.165 -9.083 1.00 0.00 O ATOM 140 CB VAL A 9 -0.223 -3.439 -10.457 1.00 0.00 C ATOM 141 CG1 VAL A 9 1.319 -3.319 -10.307 1.00 0.00 C ATOM 142 CG2 VAL A 9 -0.639 -2.990 -11.875 1.00 0.00 C ATOM 0 H VAL A 9 -2.507 -4.917 -9.058 1.00 0.00 H new ATOM 0 HA VAL A 9 -0.454 -5.598 -11.032 1.00 0.00 H new ATOM 0 HB VAL A 9 -0.706 -2.798 -9.720 1.00 0.00 H new ATOM 0 HG11 VAL A 9 1.622 -2.287 -10.483 1.00 0.00 H new ATOM 0 HG12 VAL A 9 1.611 -3.617 -9.300 1.00 0.00 H new ATOM 0 HG13 VAL A 9 1.807 -3.969 -11.033 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -0.320 -1.961 -12.039 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -0.168 -3.638 -12.615 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -1.723 -3.054 -11.974 1.00 0.00 H new ATOM 152 N CYS A 10 -0.346 -5.025 -7.823 1.00 0.00 N ATOM 153 CA CYS A 10 0.344 -5.453 -6.561 1.00 0.00 C ATOM 154 C CYS A 10 0.613 -6.969 -6.447 1.00 0.00 C ATOM 155 O CYS A 10 1.732 -7.393 -6.652 1.00 0.00 O ATOM 156 CB CYS A 10 -0.494 -4.961 -5.343 1.00 0.00 C ATOM 157 SG CYS A 10 -1.028 -6.178 -4.114 1.00 0.00 S ATOM 0 H CYS A 10 -1.154 -4.416 -7.692 1.00 0.00 H new ATOM 0 HA CYS A 10 1.333 -4.995 -6.578 1.00 0.00 H new ATOM 0 HB2 CYS A 10 0.090 -4.200 -4.824 1.00 0.00 H new ATOM 0 HB3 CYS A 10 -1.386 -4.469 -5.731 1.00 0.00 H new ATOM 0 HG CYS A 10 0.013 -6.776 -3.615 1.00 0.00 H new ATOM 162 N ASN A 11 -0.397 -7.764 -6.134 1.00 0.00 N ATOM 163 CA ASN A 11 -0.163 -9.243 -6.005 1.00 0.00 C ATOM 164 C ASN A 11 -0.754 -10.039 -7.145 1.00 0.00 C ATOM 165 O ASN A 11 -0.132 -10.197 -8.176 1.00 0.00 O ATOM 166 CB ASN A 11 -0.823 -9.701 -4.695 1.00 0.00 C ATOM 167 CG ASN A 11 -0.073 -9.084 -3.515 1.00 0.00 C ATOM 168 OD1 ASN A 11 0.899 -8.245 -3.753 1.00 0.00 O flip ATOM 169 ND2 ASN A 11 -0.363 -9.359 -2.369 1.00 0.00 N flip ATOM 0 H ASN A 11 -1.355 -7.456 -5.966 1.00 0.00 H new ATOM 0 HA ASN A 11 0.913 -9.418 -6.018 1.00 0.00 H new ATOM 0 HB2 ASN A 11 -1.870 -9.398 -4.675 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -0.805 -10.789 -4.625 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -1.121 -10.014 -2.178 1.00 0.00 H new ATOM 0 HD22 ASN A 11 0.152 -8.935 -1.597 1.00 0.00 H new ATOM 176 N ASP A 12 -1.956 -10.511 -6.954 1.00 0.00 N ATOM 177 CA ASP A 12 -2.587 -11.298 -8.014 1.00 0.00 C ATOM 178 C ASP A 12 -4.035 -11.626 -7.650 1.00 0.00 C ATOM 179 O ASP A 12 -4.779 -10.753 -7.252 1.00 0.00 O ATOM 180 CB ASP A 12 -1.804 -12.622 -8.173 1.00 0.00 C ATOM 181 CG ASP A 12 -2.220 -13.302 -9.478 1.00 0.00 C ATOM 182 OD1 ASP A 12 -2.043 -12.663 -10.501 1.00 0.00 O ATOM 183 OD2 ASP A 12 -2.690 -14.423 -9.376 1.00 0.00 O ATOM 0 H ASP A 12 -2.514 -10.379 -6.110 1.00 0.00 H new ATOM 0 HA ASP A 12 -2.577 -10.724 -8.940 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -0.732 -12.425 -8.178 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -2.004 -13.280 -7.327 1.00 0.00 H new ATOM 188 N TYR A 13 -4.397 -12.901 -7.774 1.00 0.00 N ATOM 189 CA TYR A 13 -5.800 -13.330 -7.446 1.00 0.00 C ATOM 190 C TYR A 13 -6.465 -12.428 -6.424 1.00 0.00 C ATOM 191 O TYR A 13 -6.322 -12.605 -5.231 1.00 0.00 O ATOM 192 CB TYR A 13 -5.797 -14.725 -6.859 1.00 0.00 C ATOM 193 CG TYR A 13 -5.199 -15.752 -7.840 1.00 0.00 C ATOM 194 CD1 TYR A 13 -5.943 -16.243 -8.905 1.00 0.00 C ATOM 195 CD2 TYR A 13 -3.939 -16.273 -7.616 1.00 0.00 C ATOM 196 CE1 TYR A 13 -5.438 -17.242 -9.709 1.00 0.00 C ATOM 197 CE2 TYR A 13 -3.437 -17.270 -8.428 1.00 0.00 C ATOM 198 CZ TYR A 13 -4.183 -17.761 -9.480 1.00 0.00 C ATOM 199 OH TYR A 13 -3.680 -18.760 -10.289 1.00 0.00 O ATOM 0 H TYR A 13 -3.779 -13.650 -8.086 1.00 0.00 H new ATOM 0 HA TYR A 13 -6.353 -13.284 -8.384 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -5.223 -14.729 -5.932 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -6.816 -15.015 -6.604 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -6.925 -15.839 -9.105 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -3.342 -15.897 -6.799 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -6.032 -17.622 -10.527 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -2.452 -17.669 -8.238 1.00 0.00 H new ATOM 0 HH TYR A 13 -2.782 -19.006 -9.984 1.00 0.00 H new ATOM 209 N ALA A 14 -7.172 -11.491 -6.920 1.00 0.00 N ATOM 210 CA ALA A 14 -7.879 -10.538 -6.031 1.00 0.00 C ATOM 211 C ALA A 14 -9.118 -11.199 -5.426 1.00 0.00 C ATOM 212 O ALA A 14 -9.793 -11.968 -6.079 1.00 0.00 O ATOM 213 CB ALA A 14 -8.309 -9.311 -6.875 1.00 0.00 C ATOM 0 H ALA A 14 -7.302 -11.329 -7.919 1.00 0.00 H new ATOM 0 HA ALA A 14 -7.218 -10.231 -5.221 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -8.832 -8.597 -6.239 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -7.426 -8.837 -7.304 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -8.972 -9.635 -7.677 1.00 0.00 H new ATOM 219 N SER A 15 -9.392 -10.885 -4.190 1.00 0.00 N ATOM 220 CA SER A 15 -10.577 -11.488 -3.534 1.00 0.00 C ATOM 221 C SER A 15 -11.845 -11.196 -4.327 1.00 0.00 C ATOM 222 O SER A 15 -12.816 -11.922 -4.237 1.00 0.00 O ATOM 223 CB SER A 15 -10.716 -10.885 -2.128 1.00 0.00 C ATOM 224 OG SER A 15 -9.501 -11.237 -1.480 1.00 0.00 O ATOM 0 H SER A 15 -8.850 -10.242 -3.613 1.00 0.00 H new ATOM 0 HA SER A 15 -10.442 -12.568 -3.482 1.00 0.00 H new ATOM 0 HB2 SER A 15 -10.848 -9.804 -2.169 1.00 0.00 H new ATOM 0 HB3 SER A 15 -11.580 -11.292 -1.603 1.00 0.00 H new ATOM 0 HG SER A 15 -9.504 -10.885 -0.565 1.00 0.00 H new ATOM 230 N GLY A 16 -11.820 -10.132 -5.092 1.00 0.00 N ATOM 231 CA GLY A 16 -13.031 -9.780 -5.902 1.00 0.00 C ATOM 232 C GLY A 16 -13.078 -8.276 -6.183 1.00 0.00 C ATOM 233 O GLY A 16 -12.100 -7.575 -6.010 1.00 0.00 O ATOM 0 H GLY A 16 -11.026 -9.499 -5.191 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -13.017 -10.330 -6.843 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -13.932 -10.083 -5.368 1.00 0.00 H new ATOM 237 N TYR A 17 -14.225 -7.816 -6.618 1.00 0.00 N ATOM 238 CA TYR A 17 -14.377 -6.362 -6.922 1.00 0.00 C ATOM 239 C TYR A 17 -14.727 -5.572 -5.653 1.00 0.00 C ATOM 240 O TYR A 17 -15.628 -5.933 -4.920 1.00 0.00 O ATOM 241 CB TYR A 17 -15.534 -6.208 -7.977 1.00 0.00 C ATOM 242 CG TYR A 17 -15.035 -5.430 -9.213 1.00 0.00 C ATOM 243 CD1 TYR A 17 -13.924 -5.858 -9.908 1.00 0.00 C ATOM 244 CD2 TYR A 17 -15.704 -4.304 -9.655 1.00 0.00 C ATOM 245 CE1 TYR A 17 -13.489 -5.178 -11.028 1.00 0.00 C ATOM 246 CE2 TYR A 17 -15.269 -3.623 -10.774 1.00 0.00 C ATOM 247 CZ TYR A 17 -14.158 -4.056 -11.469 1.00 0.00 C ATOM 248 OH TYR A 17 -13.725 -3.379 -12.592 1.00 0.00 O ATOM 0 H TYR A 17 -15.059 -8.383 -6.775 1.00 0.00 H new ATOM 0 HA TYR A 17 -13.439 -5.969 -7.314 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -15.893 -7.192 -8.279 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -16.378 -5.686 -7.527 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -13.389 -6.734 -9.573 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -16.575 -3.954 -9.120 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -12.618 -5.528 -11.563 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -15.802 -2.745 -11.108 1.00 0.00 H new ATOM 0 HH TYR A 17 -13.694 -2.418 -12.403 1.00 0.00 H new ATOM 258 N HIS A 18 -14.000 -4.506 -5.428 1.00 0.00 N ATOM 259 CA HIS A 18 -14.250 -3.655 -4.220 1.00 0.00 C ATOM 260 C HIS A 18 -14.365 -2.203 -4.634 1.00 0.00 C ATOM 261 O HIS A 18 -15.353 -1.542 -4.377 1.00 0.00 O ATOM 262 CB HIS A 18 -13.038 -3.781 -3.278 1.00 0.00 C ATOM 263 CG HIS A 18 -12.693 -5.254 -3.070 1.00 0.00 C ATOM 264 ND1 HIS A 18 -13.507 -6.304 -2.692 1.00 0.00 N flip ATOM 265 CD2 HIS A 18 -11.548 -5.748 -3.197 1.00 0.00 C flip ATOM 266 CE1 HIS A 18 -12.760 -7.438 -2.605 1.00 0.00 C flip ATOM 267 NE2 HIS A 18 -11.549 -6.990 -2.937 1.00 0.00 N flip ATOM 0 H HIS A 18 -13.241 -4.186 -6.030 1.00 0.00 H new ATOM 0 HA HIS A 18 -15.169 -3.979 -3.730 1.00 0.00 H new ATOM 0 HB2 HIS A 18 -12.182 -3.254 -3.700 1.00 0.00 H new ATOM 0 HB3 HIS A 18 -13.261 -3.312 -2.320 1.00 0.00 H new ATOM 0 HD2 HIS A 18 -10.672 -5.188 -3.490 1.00 0.00 H new ATOM 0 HE1 HIS A 18 -13.067 -8.438 -2.337 1.00 0.00 H new ATOM 0 HE2 HIS A 18 -10.717 -7.579 -2.977 1.00 0.00 H new ATOM 275 N TYR A 19 -13.337 -1.743 -5.270 1.00 0.00 N ATOM 276 CA TYR A 19 -13.299 -0.341 -5.740 1.00 0.00 C ATOM 277 C TYR A 19 -13.935 -0.254 -7.130 1.00 0.00 C ATOM 278 O TYR A 19 -14.997 0.308 -7.314 1.00 0.00 O ATOM 279 CB TYR A 19 -11.794 0.039 -5.853 1.00 0.00 C ATOM 280 CG TYR A 19 -11.336 0.777 -4.589 1.00 0.00 C ATOM 281 CD1 TYR A 19 -11.540 2.122 -4.469 1.00 0.00 C ATOM 282 CD2 TYR A 19 -10.911 0.067 -3.493 1.00 0.00 C ATOM 283 CE1 TYR A 19 -11.369 2.754 -3.236 1.00 0.00 C ATOM 284 CE2 TYR A 19 -10.743 0.695 -2.272 1.00 0.00 C ATOM 285 CZ TYR A 19 -10.969 2.037 -2.139 1.00 0.00 C ATOM 286 OH TYR A 19 -10.769 2.663 -0.937 1.00 0.00 O ATOM 0 H TYR A 19 -12.504 -2.290 -5.489 1.00 0.00 H new ATOM 0 HA TYR A 19 -13.837 0.321 -5.062 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -11.194 -0.860 -5.995 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -11.636 0.669 -6.728 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -11.835 2.700 -5.332 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -10.706 -0.989 -3.585 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -11.553 3.814 -3.146 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -10.430 0.119 -1.414 1.00 0.00 H new ATOM 0 HH TYR A 19 -11.161 3.561 -0.967 1.00 0.00 H new ATOM 296 N GLY A 20 -13.244 -0.821 -8.069 1.00 0.00 N ATOM 297 CA GLY A 20 -13.719 -0.826 -9.475 1.00 0.00 C ATOM 298 C GLY A 20 -12.754 -1.676 -10.290 1.00 0.00 C ATOM 299 O GLY A 20 -12.675 -1.573 -11.497 1.00 0.00 O ATOM 0 H GLY A 20 -12.351 -1.291 -7.920 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -14.729 -1.231 -9.535 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -13.759 0.190 -9.868 1.00 0.00 H new ATOM 303 N VAL A 21 -12.030 -2.499 -9.577 1.00 0.00 N ATOM 304 CA VAL A 21 -11.037 -3.397 -10.220 1.00 0.00 C ATOM 305 C VAL A 21 -10.911 -4.677 -9.413 1.00 0.00 C ATOM 306 O VAL A 21 -11.165 -4.691 -8.225 1.00 0.00 O ATOM 307 CB VAL A 21 -9.631 -2.689 -10.180 1.00 0.00 C ATOM 308 CG1 VAL A 21 -9.448 -1.754 -11.411 1.00 0.00 C ATOM 309 CG2 VAL A 21 -9.510 -1.870 -8.856 1.00 0.00 C ATOM 0 H VAL A 21 -12.089 -2.585 -8.562 1.00 0.00 H new ATOM 0 HA VAL A 21 -11.354 -3.615 -11.240 1.00 0.00 H new ATOM 0 HB VAL A 21 -8.848 -3.447 -10.216 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -8.470 -1.276 -11.362 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -9.520 -2.340 -12.327 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -10.226 -0.990 -11.407 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -8.539 -1.377 -8.821 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -10.300 -1.120 -8.819 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -9.607 -2.541 -8.003 1.00 0.00 H new ATOM 319 N TRP A 22 -10.526 -5.728 -10.062 1.00 0.00 N ATOM 320 CA TRP A 22 -10.382 -7.001 -9.315 1.00 0.00 C ATOM 321 C TRP A 22 -9.143 -6.864 -8.467 1.00 0.00 C ATOM 322 O TRP A 22 -8.109 -7.380 -8.803 1.00 0.00 O ATOM 323 CB TRP A 22 -10.185 -8.165 -10.305 1.00 0.00 C ATOM 324 CG TRP A 22 -11.392 -8.254 -11.228 1.00 0.00 C ATOM 325 CD1 TRP A 22 -11.404 -7.795 -12.458 1.00 0.00 C ATOM 326 CD2 TRP A 22 -12.550 -8.766 -10.898 1.00 0.00 C ATOM 327 NE1 TRP A 22 -12.655 -8.047 -12.880 1.00 0.00 N ATOM 328 CE2 TRP A 22 -13.452 -8.670 -11.940 1.00 0.00 C ATOM 329 CE3 TRP A 22 -12.934 -9.346 -9.706 1.00 0.00 C ATOM 330 CZ2 TRP A 22 -14.734 -9.153 -11.790 1.00 0.00 C ATOM 331 CZ3 TRP A 22 -14.219 -9.828 -9.558 1.00 0.00 C ATOM 332 CH2 TRP A 22 -15.118 -9.731 -10.599 1.00 0.00 C ATOM 0 H TRP A 22 -10.308 -5.766 -11.058 1.00 0.00 H new ATOM 0 HA TRP A 22 -11.266 -7.202 -8.710 1.00 0.00 H new ATOM 0 HB2 TRP A 22 -9.278 -8.011 -10.889 1.00 0.00 H new ATOM 0 HB3 TRP A 22 -10.059 -9.102 -9.762 1.00 0.00 H new ATOM 0 HD1 TRP A 22 -10.598 -7.325 -13.003 1.00 0.00 H new ATOM 0 HE1 TRP A 22 -12.986 -7.800 -13.812 1.00 0.00 H new ATOM 0 HE3 TRP A 22 -12.230 -9.423 -8.890 1.00 0.00 H new ATOM 0 HZ2 TRP A 22 -15.438 -9.079 -12.606 1.00 0.00 H new ATOM 0 HZ3 TRP A 22 -14.521 -10.282 -8.626 1.00 0.00 H new ATOM 0 HH2 TRP A 22 -16.123 -10.108 -10.481 1.00 0.00 H new ATOM 343 N SER A 23 -9.278 -6.151 -7.367 1.00 0.00 N ATOM 344 CA SER A 23 -8.111 -5.938 -6.449 1.00 0.00 C ATOM 345 C SER A 23 -8.198 -6.775 -5.192 1.00 0.00 C ATOM 346 O SER A 23 -9.263 -7.167 -4.769 1.00 0.00 O ATOM 347 CB SER A 23 -8.076 -4.426 -6.058 1.00 0.00 C ATOM 348 OG SER A 23 -9.175 -3.862 -6.748 1.00 0.00 O ATOM 0 H SER A 23 -10.147 -5.709 -7.068 1.00 0.00 H new ATOM 0 HA SER A 23 -7.204 -6.242 -6.972 1.00 0.00 H new ATOM 0 HB2 SER A 23 -8.171 -4.291 -4.981 1.00 0.00 H new ATOM 0 HB3 SER A 23 -7.137 -3.959 -6.356 1.00 0.00 H new ATOM 0 HG SER A 23 -9.526 -3.102 -6.238 1.00 0.00 H new ATOM 354 N CYS A 24 -7.057 -7.031 -4.625 1.00 0.00 N ATOM 355 CA CYS A 24 -7.025 -7.843 -3.383 1.00 0.00 C ATOM 356 C CYS A 24 -7.608 -7.061 -2.199 1.00 0.00 C ATOM 357 O CYS A 24 -8.146 -5.985 -2.368 1.00 0.00 O ATOM 358 CB CYS A 24 -5.563 -8.218 -3.085 1.00 0.00 C ATOM 359 SG CYS A 24 -4.457 -6.903 -2.527 1.00 0.00 S ATOM 0 H CYS A 24 -6.149 -6.715 -4.966 1.00 0.00 H new ATOM 0 HA CYS A 24 -7.630 -8.739 -3.525 1.00 0.00 H new ATOM 0 HB2 CYS A 24 -5.565 -9.000 -2.325 1.00 0.00 H new ATOM 0 HB3 CYS A 24 -5.137 -8.653 -3.989 1.00 0.00 H new ATOM 0 HG CYS A 24 -3.378 -6.906 -3.253 1.00 0.00 H new ATOM 364 N GLU A 25 -7.489 -7.622 -1.020 1.00 0.00 N ATOM 365 CA GLU A 25 -8.034 -6.928 0.187 1.00 0.00 C ATOM 366 C GLU A 25 -7.109 -5.822 0.677 1.00 0.00 C ATOM 367 O GLU A 25 -7.486 -4.672 0.715 1.00 0.00 O ATOM 368 CB GLU A 25 -8.192 -7.971 1.310 1.00 0.00 C ATOM 369 CG GLU A 25 -8.971 -7.352 2.483 1.00 0.00 C ATOM 370 CD GLU A 25 -8.035 -6.467 3.312 1.00 0.00 C ATOM 371 OE1 GLU A 25 -6.956 -6.952 3.611 1.00 0.00 O ATOM 372 OE2 GLU A 25 -8.451 -5.357 3.597 1.00 0.00 O ATOM 0 H GLU A 25 -7.042 -8.522 -0.843 1.00 0.00 H new ATOM 0 HA GLU A 25 -8.988 -6.473 -0.080 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -8.718 -8.849 0.934 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -7.212 -8.307 1.648 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -9.807 -6.762 2.107 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -9.392 -8.139 3.108 1.00 0.00 H new ATOM 379 N GLY A 26 -5.922 -6.190 1.061 1.00 0.00 N ATOM 380 CA GLY A 26 -4.953 -5.159 1.559 1.00 0.00 C ATOM 381 C GLY A 26 -4.989 -3.911 0.676 1.00 0.00 C ATOM 382 O GLY A 26 -5.013 -2.802 1.171 1.00 0.00 O ATOM 0 H GLY A 26 -5.576 -7.149 1.055 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -5.197 -4.890 2.587 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -3.945 -5.575 1.569 1.00 0.00 H new ATOM 386 N CYS A 27 -4.990 -4.111 -0.612 1.00 0.00 N ATOM 387 CA CYS A 27 -5.026 -2.941 -1.515 1.00 0.00 C ATOM 388 C CYS A 27 -6.262 -2.111 -1.226 1.00 0.00 C ATOM 389 O CYS A 27 -6.240 -0.905 -1.327 1.00 0.00 O ATOM 390 CB CYS A 27 -5.073 -3.445 -2.979 1.00 0.00 C ATOM 391 SG CYS A 27 -3.499 -3.626 -3.826 1.00 0.00 S ATOM 0 H CYS A 27 -4.968 -5.023 -1.069 1.00 0.00 H new ATOM 0 HA CYS A 27 -4.140 -2.326 -1.360 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -5.577 -4.411 -2.989 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -5.691 -2.757 -3.555 1.00 0.00 H new ATOM 0 HG CYS A 27 -3.616 -4.507 -4.775 1.00 0.00 H new ATOM 396 N LYS A 28 -7.318 -2.777 -0.879 1.00 0.00 N ATOM 397 CA LYS A 28 -8.557 -2.045 -0.582 1.00 0.00 C ATOM 398 C LYS A 28 -8.400 -1.219 0.683 1.00 0.00 C ATOM 399 O LYS A 28 -8.604 -0.023 0.680 1.00 0.00 O ATOM 400 CB LYS A 28 -9.693 -3.065 -0.373 1.00 0.00 C ATOM 401 CG LYS A 28 -11.041 -2.330 -0.344 1.00 0.00 C ATOM 402 CD LYS A 28 -12.109 -3.253 0.258 1.00 0.00 C ATOM 403 CE LYS A 28 -13.432 -2.485 0.380 1.00 0.00 C ATOM 404 NZ LYS A 28 -14.572 -3.431 0.544 1.00 0.00 N ATOM 0 H LYS A 28 -7.372 -3.792 -0.790 1.00 0.00 H new ATOM 0 HA LYS A 28 -8.784 -1.377 -1.413 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -9.686 -3.803 -1.175 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -9.542 -3.607 0.560 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -10.958 -1.417 0.246 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -11.328 -2.032 -1.353 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -12.243 -4.133 -0.371 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -11.789 -3.608 1.238 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -13.389 -1.807 1.233 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -13.586 -1.871 -0.507 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -15.459 -2.895 0.625 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -14.622 -4.061 -0.282 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -14.431 -3.999 1.404 1.00 0.00 H new ATOM 418 N ALA A 29 -8.043 -1.876 1.742 1.00 0.00 N ATOM 419 CA ALA A 29 -7.865 -1.158 3.024 1.00 0.00 C ATOM 420 C ALA A 29 -6.759 -0.122 2.910 1.00 0.00 C ATOM 421 O ALA A 29 -6.777 0.894 3.576 1.00 0.00 O ATOM 422 CB ALA A 29 -7.476 -2.193 4.097 1.00 0.00 C ATOM 0 H ALA A 29 -7.867 -2.880 1.775 1.00 0.00 H new ATOM 0 HA ALA A 29 -8.791 -0.647 3.287 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -7.338 -1.690 5.054 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -8.267 -2.937 4.188 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -6.547 -2.685 3.808 1.00 0.00 H new ATOM 428 N PHE A 30 -5.817 -0.401 2.067 1.00 0.00 N ATOM 429 CA PHE A 30 -4.695 0.539 1.880 1.00 0.00 C ATOM 430 C PHE A 30 -5.130 1.710 1.051 1.00 0.00 C ATOM 431 O PHE A 30 -4.863 2.850 1.374 1.00 0.00 O ATOM 432 CB PHE A 30 -3.592 -0.214 1.120 1.00 0.00 C ATOM 433 CG PHE A 30 -2.435 0.730 0.783 1.00 0.00 C ATOM 434 CD1 PHE A 30 -2.533 1.607 -0.289 1.00 0.00 C ATOM 435 CD2 PHE A 30 -1.270 0.724 1.539 1.00 0.00 C ATOM 436 CE1 PHE A 30 -1.493 2.457 -0.588 1.00 0.00 C ATOM 437 CE2 PHE A 30 -0.240 1.582 1.227 1.00 0.00 C ATOM 438 CZ PHE A 30 -0.359 2.442 0.166 1.00 0.00 C ATOM 0 H PHE A 30 -5.777 -1.245 1.496 1.00 0.00 H new ATOM 0 HA PHE A 30 -4.346 0.902 2.847 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -3.228 -1.045 1.724 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -4.000 -0.641 0.204 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -3.430 1.622 -0.891 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -1.172 0.045 2.373 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -1.576 3.138 -1.422 1.00 0.00 H new ATOM 0 HE2 PHE A 30 0.663 1.578 1.819 1.00 0.00 H new ATOM 0 HZ PHE A 30 0.453 3.113 -0.074 1.00 0.00 H new ATOM 448 N PHE A 31 -5.794 1.407 -0.006 1.00 0.00 N ATOM 449 CA PHE A 31 -6.270 2.481 -0.896 1.00 0.00 C ATOM 450 C PHE A 31 -7.345 3.326 -0.218 1.00 0.00 C ATOM 451 O PHE A 31 -7.368 4.530 -0.378 1.00 0.00 O ATOM 452 CB PHE A 31 -6.831 1.817 -2.183 1.00 0.00 C ATOM 453 CG PHE A 31 -7.086 2.875 -3.265 1.00 0.00 C ATOM 454 CD1 PHE A 31 -6.100 3.761 -3.622 1.00 0.00 C ATOM 455 CD2 PHE A 31 -8.332 2.976 -3.865 1.00 0.00 C ATOM 456 CE1 PHE A 31 -6.338 4.729 -4.533 1.00 0.00 C ATOM 457 CE2 PHE A 31 -8.594 3.965 -4.788 1.00 0.00 C ATOM 458 CZ PHE A 31 -7.588 4.848 -5.132 1.00 0.00 C ATOM 0 H PHE A 31 -6.031 0.459 -0.298 1.00 0.00 H new ATOM 0 HA PHE A 31 -5.445 3.150 -1.140 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -6.126 1.073 -2.553 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -7.758 1.291 -1.954 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -5.123 3.683 -3.169 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -9.107 2.270 -3.605 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -5.550 5.418 -4.799 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -9.573 4.049 -5.237 1.00 0.00 H new ATOM 0 HZ PHE A 31 -7.771 5.624 -5.860 1.00 0.00 H new ATOM 468 N LYS A 32 -8.207 2.701 0.534 1.00 0.00 N ATOM 469 CA LYS A 32 -9.267 3.494 1.214 1.00 0.00 C ATOM 470 C LYS A 32 -8.660 4.283 2.363 1.00 0.00 C ATOM 471 O LYS A 32 -9.325 5.074 3.000 1.00 0.00 O ATOM 472 CB LYS A 32 -10.346 2.516 1.774 1.00 0.00 C ATOM 473 CG LYS A 32 -11.723 3.217 1.795 1.00 0.00 C ATOM 474 CD LYS A 32 -12.658 2.470 2.755 1.00 0.00 C ATOM 475 CE LYS A 32 -14.064 3.068 2.657 1.00 0.00 C ATOM 476 NZ LYS A 32 -14.521 3.105 1.239 1.00 0.00 N ATOM 0 H LYS A 32 -8.225 1.696 0.705 1.00 0.00 H new ATOM 0 HA LYS A 32 -9.720 4.186 0.504 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -10.393 1.619 1.157 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -10.074 2.197 2.780 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -11.611 4.254 2.112 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -12.151 3.234 0.792 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -12.683 1.409 2.505 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -12.287 2.548 3.777 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -14.759 2.477 3.253 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -14.066 4.076 3.072 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -15.561 3.115 1.209 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -14.153 3.962 0.778 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -14.169 2.264 0.739 1.00 0.00 H new ATOM 490 N ARG A 33 -7.397 4.048 2.607 1.00 0.00 N ATOM 491 CA ARG A 33 -6.718 4.765 3.708 1.00 0.00 C ATOM 492 C ARG A 33 -6.294 6.188 3.295 1.00 0.00 C ATOM 493 O ARG A 33 -6.199 7.064 4.129 1.00 0.00 O ATOM 494 CB ARG A 33 -5.444 3.933 4.086 1.00 0.00 C ATOM 495 CG ARG A 33 -5.320 3.787 5.623 1.00 0.00 C ATOM 496 CD ARG A 33 -4.898 5.124 6.241 1.00 0.00 C ATOM 497 NE ARG A 33 -3.602 5.557 5.631 1.00 0.00 N ATOM 498 CZ ARG A 33 -2.812 6.362 6.295 1.00 0.00 C ATOM 499 NH1 ARG A 33 -2.685 6.201 7.584 1.00 0.00 N ATOM 500 NH2 ARG A 33 -2.174 7.298 5.646 1.00 0.00 N ATOM 0 H ARG A 33 -6.814 3.391 2.089 1.00 0.00 H new ATOM 0 HA ARG A 33 -7.404 4.866 4.549 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -5.498 2.947 3.625 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -4.554 4.421 3.689 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -6.273 3.466 6.045 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -4.588 3.017 5.866 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -5.666 5.878 6.067 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -4.790 5.022 7.321 1.00 0.00 H new ATOM 0 HE ARG A 33 -3.336 5.227 4.703 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -3.197 5.457 8.058 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -2.074 6.819 8.117 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -2.295 7.393 4.638 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -1.554 7.934 6.147 1.00 0.00 H new ATOM 514 N SER A 34 -6.055 6.407 2.018 1.00 0.00 N ATOM 515 CA SER A 34 -5.634 7.799 1.604 1.00 0.00 C ATOM 516 C SER A 34 -6.019 8.183 0.195 1.00 0.00 C ATOM 517 O SER A 34 -5.280 8.888 -0.463 1.00 0.00 O ATOM 518 CB SER A 34 -4.161 7.813 1.629 1.00 0.00 C ATOM 519 OG SER A 34 -3.831 7.431 2.956 1.00 0.00 O ATOM 0 H SER A 34 -6.128 5.718 1.270 1.00 0.00 H new ATOM 0 HA SER A 34 -6.128 8.494 2.283 1.00 0.00 H new ATOM 0 HB2 SER A 34 -3.744 7.119 0.899 1.00 0.00 H new ATOM 0 HB3 SER A 34 -3.768 8.801 1.390 1.00 0.00 H new ATOM 0 HG SER A 34 -3.060 6.826 2.940 1.00 0.00 H new ATOM 525 N ILE A 35 -7.105 7.703 -0.253 1.00 0.00 N ATOM 526 CA ILE A 35 -7.548 8.053 -1.659 1.00 0.00 C ATOM 527 C ILE A 35 -7.211 9.519 -1.990 1.00 0.00 C ATOM 528 O ILE A 35 -6.994 10.318 -1.106 1.00 0.00 O ATOM 529 CB ILE A 35 -9.070 7.848 -1.794 1.00 0.00 C ATOM 530 CG1 ILE A 35 -9.485 6.449 -1.275 1.00 0.00 C ATOM 531 CG2 ILE A 35 -9.455 7.966 -3.299 1.00 0.00 C ATOM 532 CD1 ILE A 35 -9.133 5.359 -2.307 1.00 0.00 C ATOM 0 H ILE A 35 -7.729 7.082 0.262 1.00 0.00 H new ATOM 0 HA ILE A 35 -7.019 7.400 -2.354 1.00 0.00 H new ATOM 0 HB ILE A 35 -9.585 8.605 -1.202 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -8.980 6.241 -0.332 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -10.556 6.433 -1.073 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -10.530 7.823 -3.412 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -9.179 8.954 -3.669 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -8.926 7.204 -3.871 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -9.433 4.384 -1.923 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -9.659 5.559 -3.241 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -8.058 5.363 -2.488 1.00 0.00 H new ATOM 544 N GLN A 36 -7.189 9.826 -3.259 1.00 0.00 N ATOM 545 CA GLN A 36 -6.867 11.212 -3.703 1.00 0.00 C ATOM 546 C GLN A 36 -5.409 11.505 -3.420 1.00 0.00 C ATOM 547 O GLN A 36 -4.877 11.120 -2.399 1.00 0.00 O ATOM 548 CB GLN A 36 -7.726 12.267 -2.976 1.00 0.00 C ATOM 549 CG GLN A 36 -9.201 11.849 -2.981 1.00 0.00 C ATOM 550 CD GLN A 36 -9.653 11.585 -4.421 1.00 0.00 C ATOM 551 OE1 GLN A 36 -9.119 12.279 -5.389 1.00 0.00 O flip ATOM 552 NE2 GLN A 36 -10.500 10.753 -4.675 1.00 0.00 N flip ATOM 0 H GLN A 36 -7.382 9.168 -4.014 1.00 0.00 H new ATOM 0 HA GLN A 36 -7.079 11.270 -4.771 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -7.378 12.385 -1.950 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -7.614 13.235 -3.463 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -9.338 10.953 -2.376 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -9.813 12.632 -2.534 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -10.921 10.208 -3.923 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -10.791 10.599 -5.641 1.00 0.00 H new ATOM 561 N GLY A 37 -4.800 12.198 -4.313 1.00 0.00 N ATOM 562 CA GLY A 37 -3.360 12.536 -4.128 1.00 0.00 C ATOM 563 C GLY A 37 -3.125 13.177 -2.774 1.00 0.00 C ATOM 564 O GLY A 37 -2.288 12.755 -2.012 1.00 0.00 O ATOM 0 H GLY A 37 -5.226 12.552 -5.170 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -2.756 11.633 -4.217 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -3.037 13.215 -4.917 1.00 0.00 H new ATOM 568 N HIS A 38 -3.850 14.204 -2.536 1.00 0.00 N ATOM 569 CA HIS A 38 -3.724 14.934 -1.238 1.00 0.00 C ATOM 570 C HIS A 38 -3.523 13.978 -0.049 1.00 0.00 C ATOM 571 O HIS A 38 -4.475 13.537 0.561 1.00 0.00 O ATOM 572 CB HIS A 38 -5.018 15.729 -1.013 1.00 0.00 C ATOM 573 CG HIS A 38 -4.890 16.557 0.267 1.00 0.00 C ATOM 574 ND1 HIS A 38 -5.672 16.495 1.239 1.00 0.00 N ATOM 575 CD2 HIS A 38 -3.943 17.502 0.617 1.00 0.00 C ATOM 576 CE1 HIS A 38 -5.330 17.292 2.164 1.00 0.00 C ATOM 577 NE2 HIS A 38 -4.231 17.983 1.858 1.00 0.00 N ATOM 0 H HIS A 38 -4.539 14.589 -3.182 1.00 0.00 H new ATOM 0 HA HIS A 38 -2.850 15.583 -1.294 1.00 0.00 H new ATOM 0 HB2 HIS A 38 -5.209 16.382 -1.864 1.00 0.00 H new ATOM 0 HB3 HIS A 38 -5.867 15.049 -0.936 1.00 0.00 H new ATOM 0 HD2 HIS A 38 -3.109 17.809 0.004 1.00 0.00 H new ATOM 0 HE1 HIS A 38 -5.868 17.399 3.094 1.00 0.00 H new ATOM 0 HE2 HIS A 38 -3.737 18.686 2.408 1.00 0.00 H new ATOM 585 N ASN A 39 -2.279 13.689 0.251 1.00 0.00 N ATOM 586 CA ASN A 39 -1.971 12.771 1.392 1.00 0.00 C ATOM 587 C ASN A 39 -0.464 12.642 1.576 1.00 0.00 C ATOM 588 O ASN A 39 0.261 12.447 0.622 1.00 0.00 O ATOM 589 CB ASN A 39 -2.567 11.372 1.106 1.00 0.00 C ATOM 590 CG ASN A 39 -2.113 10.856 -0.263 1.00 0.00 C ATOM 591 OD1 ASN A 39 -2.913 10.660 -1.156 1.00 0.00 O ATOM 592 ND2 ASN A 39 -0.850 10.610 -0.467 1.00 0.00 N ATOM 0 H ASN A 39 -1.464 14.049 -0.245 1.00 0.00 H new ATOM 0 HA ASN A 39 -2.409 13.184 2.301 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -2.257 10.674 1.884 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -3.655 11.422 1.138 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -0.539 10.255 -1.371 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -0.172 10.772 0.278 1.00 0.00 H new ATOM 599 N ASP A 40 -0.003 12.772 2.800 1.00 0.00 N ATOM 600 CA ASP A 40 1.460 12.649 3.017 1.00 0.00 C ATOM 601 C ASP A 40 1.807 11.219 2.847 1.00 0.00 C ATOM 602 O ASP A 40 1.378 10.385 3.621 1.00 0.00 O ATOM 603 CB ASP A 40 1.827 13.078 4.424 1.00 0.00 C ATOM 604 CG ASP A 40 1.298 14.491 4.686 1.00 0.00 C ATOM 605 OD1 ASP A 40 0.401 14.876 3.955 1.00 0.00 O ATOM 606 OD2 ASP A 40 1.822 15.104 5.601 1.00 0.00 O ATOM 0 H ASP A 40 -0.565 12.953 3.632 1.00 0.00 H new ATOM 0 HA ASP A 40 1.998 13.283 2.312 1.00 0.00 H new ATOM 0 HB2 ASP A 40 1.406 12.381 5.149 1.00 0.00 H new ATOM 0 HB3 ASP A 40 2.909 13.055 4.551 1.00 0.00 H new ATOM 611 N TYR A 41 2.584 10.938 1.851 1.00 0.00 N ATOM 612 CA TYR A 41 2.976 9.513 1.597 1.00 0.00 C ATOM 613 C TYR A 41 4.502 9.327 1.438 1.00 0.00 C ATOM 614 O TYR A 41 5.279 10.171 1.839 1.00 0.00 O ATOM 615 CB TYR A 41 2.203 9.072 0.306 1.00 0.00 C ATOM 616 CG TYR A 41 0.938 8.276 0.710 1.00 0.00 C ATOM 617 CD1 TYR A 41 -0.012 8.835 1.537 1.00 0.00 C ATOM 618 CD2 TYR A 41 0.799 6.969 0.330 1.00 0.00 C ATOM 619 CE1 TYR A 41 -1.068 8.098 1.994 1.00 0.00 C ATOM 620 CE2 TYR A 41 -0.273 6.209 0.784 1.00 0.00 C ATOM 621 CZ TYR A 41 -1.208 6.765 1.623 1.00 0.00 C ATOM 622 OH TYR A 41 -2.225 5.990 2.130 1.00 0.00 O ATOM 0 H TYR A 41 2.969 11.621 1.198 1.00 0.00 H new ATOM 0 HA TYR A 41 2.712 8.892 2.453 1.00 0.00 H new ATOM 0 HB2 TYR A 41 1.923 9.947 -0.280 1.00 0.00 H new ATOM 0 HB3 TYR A 41 2.846 8.458 -0.324 1.00 0.00 H new ATOM 0 HD1 TYR A 41 0.079 9.871 1.828 1.00 0.00 H new ATOM 0 HD2 TYR A 41 1.529 6.523 -0.329 1.00 0.00 H new ATOM 0 HE1 TYR A 41 -1.798 8.553 2.647 1.00 0.00 H new ATOM 0 HE2 TYR A 41 -0.371 5.178 0.476 1.00 0.00 H new ATOM 0 HH TYR A 41 -2.164 5.086 1.757 1.00 0.00 H new ATOM 632 N MET A 42 4.894 8.206 0.844 1.00 0.00 N ATOM 633 CA MET A 42 6.360 7.920 0.651 1.00 0.00 C ATOM 634 C MET A 42 7.013 8.533 -0.601 1.00 0.00 C ATOM 635 O MET A 42 6.476 9.394 -1.262 1.00 0.00 O ATOM 636 CB MET A 42 6.545 6.350 0.652 1.00 0.00 C ATOM 637 CG MET A 42 7.226 5.894 1.955 1.00 0.00 C ATOM 638 SD MET A 42 8.772 6.713 2.426 1.00 0.00 S ATOM 639 CE MET A 42 9.327 5.475 3.626 1.00 0.00 C ATOM 0 H MET A 42 4.264 7.487 0.490 1.00 0.00 H new ATOM 0 HA MET A 42 6.880 8.408 1.475 1.00 0.00 H new ATOM 0 HB2 MET A 42 5.575 5.863 0.550 1.00 0.00 H new ATOM 0 HB3 MET A 42 7.146 6.047 -0.206 1.00 0.00 H new ATOM 0 HG2 MET A 42 6.514 6.026 2.770 1.00 0.00 H new ATOM 0 HG3 MET A 42 7.423 4.825 1.874 1.00 0.00 H new ATOM 0 HE1 MET A 42 10.283 5.783 4.051 1.00 0.00 H new ATOM 0 HE2 MET A 42 8.588 5.384 4.422 1.00 0.00 H new ATOM 0 HE3 MET A 42 9.444 4.513 3.128 1.00 0.00 H new ATOM 752 N ILE A 51 5.439 0.008 -7.629 1.00 0.00 N ATOM 753 CA ILE A 51 5.731 -1.014 -6.571 1.00 0.00 C ATOM 754 C ILE A 51 6.223 -2.308 -7.206 1.00 0.00 C ATOM 755 O ILE A 51 6.301 -2.422 -8.413 1.00 0.00 O ATOM 756 CB ILE A 51 4.423 -1.306 -5.792 1.00 0.00 C ATOM 757 CG1 ILE A 51 4.719 -2.223 -4.572 1.00 0.00 C ATOM 758 CG2 ILE A 51 3.419 -2.021 -6.737 1.00 0.00 C ATOM 759 CD1 ILE A 51 3.649 -2.013 -3.494 1.00 0.00 C ATOM 0 HA ILE A 51 6.502 -0.630 -5.903 1.00 0.00 H new ATOM 0 HB ILE A 51 4.000 -0.366 -5.436 1.00 0.00 H new ATOM 0 HG12 ILE A 51 4.733 -3.267 -4.885 1.00 0.00 H new ATOM 0 HG13 ILE A 51 5.706 -1.998 -4.167 1.00 0.00 H new ATOM 0 HG21 ILE A 51 2.496 -2.230 -6.196 1.00 0.00 H new ATOM 0 HG22 ILE A 51 3.202 -1.379 -7.591 1.00 0.00 H new ATOM 0 HG23 ILE A 51 3.853 -2.957 -7.088 1.00 0.00 H new ATOM 0 HD11 ILE A 51 3.861 -2.658 -2.641 1.00 0.00 H new ATOM 0 HD12 ILE A 51 3.656 -0.972 -3.172 1.00 0.00 H new ATOM 0 HD13 ILE A 51 2.669 -2.260 -3.901 1.00 0.00 H new ATOM 771 N ASP A 52 6.544 -3.261 -6.375 1.00 0.00 N ATOM 772 CA ASP A 52 7.038 -4.576 -6.889 1.00 0.00 C ATOM 773 C ASP A 52 5.928 -5.619 -6.817 1.00 0.00 C ATOM 774 O ASP A 52 5.168 -5.788 -7.751 1.00 0.00 O ATOM 775 CB ASP A 52 8.215 -5.028 -5.997 1.00 0.00 C ATOM 776 CG ASP A 52 7.908 -4.691 -4.535 1.00 0.00 C ATOM 777 OD1 ASP A 52 6.737 -4.487 -4.261 1.00 0.00 O ATOM 778 OD2 ASP A 52 8.863 -4.657 -3.777 1.00 0.00 O ATOM 0 H ASP A 52 6.486 -3.188 -5.359 1.00 0.00 H new ATOM 0 HA ASP A 52 7.355 -4.471 -7.927 1.00 0.00 H new ATOM 0 HB2 ASP A 52 8.378 -6.100 -6.107 1.00 0.00 H new ATOM 0 HB3 ASP A 52 9.134 -4.532 -6.310 1.00 0.00 H new ATOM 783 N LYS A 53 5.851 -6.298 -5.707 1.00 0.00 N ATOM 784 CA LYS A 53 4.801 -7.329 -5.552 1.00 0.00 C ATOM 785 C LYS A 53 4.815 -7.898 -4.139 1.00 0.00 C ATOM 786 O LYS A 53 4.413 -9.022 -3.914 1.00 0.00 O ATOM 787 CB LYS A 53 5.079 -8.465 -6.550 1.00 0.00 C ATOM 788 CG LYS A 53 6.558 -8.855 -6.474 1.00 0.00 C ATOM 789 CD LYS A 53 6.761 -10.209 -7.161 1.00 0.00 C ATOM 790 CE LYS A 53 6.231 -10.132 -8.594 1.00 0.00 C ATOM 791 NZ LYS A 53 6.614 -8.838 -9.223 1.00 0.00 N ATOM 0 H LYS A 53 6.470 -6.181 -4.905 1.00 0.00 H new ATOM 0 HA LYS A 53 3.826 -6.879 -5.740 1.00 0.00 H new ATOM 0 HB2 LYS A 53 4.452 -9.327 -6.322 1.00 0.00 H new ATOM 0 HB3 LYS A 53 4.827 -8.146 -7.561 1.00 0.00 H new ATOM 0 HG2 LYS A 53 7.172 -8.094 -6.956 1.00 0.00 H new ATOM 0 HG3 LYS A 53 6.878 -8.911 -5.434 1.00 0.00 H new ATOM 0 HD2 LYS A 53 7.819 -10.473 -7.166 1.00 0.00 H new ATOM 0 HD3 LYS A 53 6.240 -10.992 -6.610 1.00 0.00 H new ATOM 0 HE2 LYS A 53 6.629 -10.960 -9.180 1.00 0.00 H new ATOM 0 HE3 LYS A 53 5.146 -10.235 -8.593 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 6.673 -8.957 -10.254 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 5.899 -8.117 -8.998 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 7.539 -8.534 -8.856 1.00 0.00 H new ATOM 805 N ASN A 54 5.279 -7.104 -3.209 1.00 0.00 N ATOM 806 CA ASN A 54 5.330 -7.575 -1.800 1.00 0.00 C ATOM 807 C ASN A 54 3.964 -7.451 -1.135 1.00 0.00 C ATOM 808 O ASN A 54 3.247 -8.421 -1.009 1.00 0.00 O ATOM 809 CB ASN A 54 6.338 -6.699 -1.035 1.00 0.00 C ATOM 810 CG ASN A 54 6.415 -7.167 0.419 1.00 0.00 C ATOM 811 OD1 ASN A 54 6.012 -6.470 1.330 1.00 0.00 O ATOM 812 ND2 ASN A 54 6.927 -8.339 0.682 1.00 0.00 N ATOM 0 H ASN A 54 5.622 -6.156 -3.366 1.00 0.00 H new ATOM 0 HA ASN A 54 5.629 -8.623 -1.784 1.00 0.00 H new ATOM 0 HB2 ASN A 54 7.321 -6.763 -1.502 1.00 0.00 H new ATOM 0 HB3 ASN A 54 6.033 -5.653 -1.077 1.00 0.00 H new ATOM 0 HD21 ASN A 54 6.987 -8.665 1.647 1.00 0.00 H new ATOM 0 HD22 ASN A 54 7.267 -8.929 -0.077 1.00 0.00 H new ATOM 819 N ARG A 55 3.632 -6.256 -0.724 1.00 0.00 N ATOM 820 CA ARG A 55 2.316 -6.045 -0.064 1.00 0.00 C ATOM 821 C ARG A 55 2.138 -4.578 0.305 1.00 0.00 C ATOM 822 O ARG A 55 1.475 -3.826 -0.382 1.00 0.00 O ATOM 823 CB ARG A 55 2.266 -6.952 1.232 1.00 0.00 C ATOM 824 CG ARG A 55 1.165 -8.027 1.089 1.00 0.00 C ATOM 825 CD ARG A 55 -0.202 -7.386 1.346 1.00 0.00 C ATOM 826 NE ARG A 55 -1.266 -8.401 1.100 1.00 0.00 N ATOM 827 CZ ARG A 55 -1.246 -9.524 1.765 1.00 0.00 C ATOM 828 NH1 ARG A 55 -0.944 -9.500 3.035 1.00 0.00 N ATOM 829 NH2 ARG A 55 -1.529 -10.633 1.138 1.00 0.00 N ATOM 0 H ARG A 55 4.213 -5.423 -0.817 1.00 0.00 H new ATOM 0 HA ARG A 55 1.507 -6.318 -0.742 1.00 0.00 H new ATOM 0 HB2 ARG A 55 3.233 -7.430 1.388 1.00 0.00 H new ATOM 0 HB3 ARG A 55 2.070 -6.335 2.109 1.00 0.00 H new ATOM 0 HG2 ARG A 55 1.193 -8.463 0.090 1.00 0.00 H new ATOM 0 HG3 ARG A 55 1.338 -8.838 1.796 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -0.260 -7.020 2.371 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -0.344 -6.526 0.692 1.00 0.00 H new ATOM 0 HE ARG A 55 -2.003 -8.220 0.418 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -0.729 -8.614 3.491 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -0.923 -10.368 3.571 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -1.761 -10.613 0.145 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -1.518 -11.520 1.641 1.00 0.00 H new ATOM 843 N ARG A 56 2.732 -4.221 1.370 1.00 0.00 N ATOM 844 CA ARG A 56 2.645 -2.812 1.852 1.00 0.00 C ATOM 845 C ARG A 56 3.839 -2.478 2.746 1.00 0.00 C ATOM 846 O ARG A 56 3.736 -1.657 3.637 1.00 0.00 O ATOM 847 CB ARG A 56 1.348 -2.657 2.671 1.00 0.00 C ATOM 848 CG ARG A 56 1.403 -3.584 3.893 1.00 0.00 C ATOM 849 CD ARG A 56 0.030 -3.602 4.579 1.00 0.00 C ATOM 850 NE ARG A 56 -0.019 -4.750 5.536 1.00 0.00 N ATOM 851 CZ ARG A 56 0.462 -4.606 6.744 1.00 0.00 C ATOM 852 NH1 ARG A 56 1.266 -3.609 6.989 1.00 0.00 N ATOM 853 NH2 ARG A 56 0.119 -5.465 7.666 1.00 0.00 N ATOM 0 H ARG A 56 3.291 -4.842 1.955 1.00 0.00 H new ATOM 0 HA ARG A 56 2.647 -2.137 0.996 1.00 0.00 H new ATOM 0 HB2 ARG A 56 1.228 -1.622 2.991 1.00 0.00 H new ATOM 0 HB3 ARG A 56 0.484 -2.902 2.054 1.00 0.00 H new ATOM 0 HG2 ARG A 56 1.682 -4.592 3.587 1.00 0.00 H new ATOM 0 HG3 ARG A 56 2.166 -3.240 4.591 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -0.140 -2.664 5.107 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -0.761 -3.697 3.836 1.00 0.00 H new ATOM 0 HE ARG A 56 -0.425 -5.640 5.248 1.00 0.00 H new ATOM 0 HH11 ARG A 56 1.511 -2.956 6.244 1.00 0.00 H new ATOM 0 HH12 ARG A 56 1.650 -3.482 7.925 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -0.514 -6.232 7.438 1.00 0.00 H new ATOM 0 HH22 ARG A 56 0.484 -5.369 8.614 1.00 0.00 H new ATOM 867 N LYS A 57 4.965 -3.130 2.486 1.00 0.00 N ATOM 868 CA LYS A 57 6.200 -2.873 3.312 1.00 0.00 C ATOM 869 C LYS A 57 7.316 -2.275 2.470 1.00 0.00 C ATOM 870 O LYS A 57 8.451 -2.206 2.896 1.00 0.00 O ATOM 871 CB LYS A 57 6.687 -4.212 3.887 1.00 0.00 C ATOM 872 CG LYS A 57 5.558 -4.863 4.701 1.00 0.00 C ATOM 873 CD LYS A 57 5.219 -3.978 5.923 1.00 0.00 C ATOM 874 CE LYS A 57 4.563 -4.838 7.012 1.00 0.00 C ATOM 875 NZ LYS A 57 4.257 -4.012 8.214 1.00 0.00 N ATOM 0 H LYS A 57 5.077 -3.821 1.744 1.00 0.00 H new ATOM 0 HA LYS A 57 5.948 -2.167 4.103 1.00 0.00 H new ATOM 0 HB2 LYS A 57 6.996 -4.875 3.079 1.00 0.00 H new ATOM 0 HB3 LYS A 57 7.560 -4.052 4.520 1.00 0.00 H new ATOM 0 HG2 LYS A 57 4.674 -4.991 4.077 1.00 0.00 H new ATOM 0 HG3 LYS A 57 5.861 -5.856 5.032 1.00 0.00 H new ATOM 0 HD2 LYS A 57 6.125 -3.511 6.310 1.00 0.00 H new ATOM 0 HD3 LYS A 57 4.547 -3.173 5.627 1.00 0.00 H new ATOM 0 HE2 LYS A 57 3.646 -5.285 6.628 1.00 0.00 H new ATOM 0 HE3 LYS A 57 5.227 -5.658 7.286 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 3.768 -4.597 8.922 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 5.143 -3.647 8.619 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 3.647 -3.215 7.941 1.00 0.00 H new ATOM 889 N SER A 58 6.972 -1.856 1.289 1.00 0.00 N ATOM 890 CA SER A 58 7.996 -1.249 0.378 1.00 0.00 C ATOM 891 C SER A 58 7.849 0.262 0.397 1.00 0.00 C ATOM 892 O SER A 58 8.646 0.964 0.988 1.00 0.00 O ATOM 893 CB SER A 58 7.737 -1.756 -1.050 1.00 0.00 C ATOM 894 OG SER A 58 7.835 -3.168 -0.938 1.00 0.00 O ATOM 0 H SER A 58 6.027 -1.904 0.908 1.00 0.00 H new ATOM 0 HA SER A 58 8.999 -1.524 0.704 1.00 0.00 H new ATOM 0 HB2 SER A 58 6.754 -1.452 -1.409 1.00 0.00 H new ATOM 0 HB3 SER A 58 8.470 -1.360 -1.753 1.00 0.00 H new ATOM 0 HG SER A 58 8.166 -3.541 -1.782 1.00 0.00 H new ATOM 900 N CYS A 59 6.825 0.732 -0.256 1.00 0.00 N ATOM 901 CA CYS A 59 6.577 2.195 -0.303 1.00 0.00 C ATOM 902 C CYS A 59 5.104 2.446 -0.452 1.00 0.00 C ATOM 903 O CYS A 59 4.489 1.985 -1.392 1.00 0.00 O ATOM 904 CB CYS A 59 7.270 2.820 -1.521 1.00 0.00 C ATOM 905 SG CYS A 59 6.511 4.345 -2.170 1.00 0.00 S ATOM 0 H CYS A 59 6.147 0.162 -0.761 1.00 0.00 H new ATOM 0 HA CYS A 59 6.964 2.634 0.617 1.00 0.00 H new ATOM 0 HB2 CYS A 59 8.305 3.036 -1.255 1.00 0.00 H new ATOM 0 HB3 CYS A 59 7.294 2.080 -2.321 1.00 0.00 H new ATOM 0 HG CYS A 59 6.619 4.366 -3.465 1.00 0.00 H new ATOM 910 N GLN A 60 4.551 3.165 0.460 1.00 0.00 N ATOM 911 CA GLN A 60 3.118 3.439 0.355 1.00 0.00 C ATOM 912 C GLN A 60 2.861 4.400 -0.804 1.00 0.00 C ATOM 913 O GLN A 60 1.781 4.448 -1.356 1.00 0.00 O ATOM 914 CB GLN A 60 2.650 4.086 1.669 1.00 0.00 C ATOM 915 CG GLN A 60 3.152 3.243 2.842 1.00 0.00 C ATOM 916 CD GLN A 60 2.639 3.839 4.154 1.00 0.00 C ATOM 917 OE1 GLN A 60 2.192 4.966 4.204 1.00 0.00 O ATOM 918 NE2 GLN A 60 2.687 3.115 5.238 1.00 0.00 N ATOM 0 H GLN A 60 5.026 3.571 1.266 1.00 0.00 H new ATOM 0 HA GLN A 60 2.573 2.512 0.175 1.00 0.00 H new ATOM 0 HB2 GLN A 60 3.033 5.104 1.745 1.00 0.00 H new ATOM 0 HB3 GLN A 60 1.562 4.152 1.690 1.00 0.00 H new ATOM 0 HG2 GLN A 60 2.807 2.214 2.738 1.00 0.00 H new ATOM 0 HG3 GLN A 60 4.242 3.216 2.844 1.00 0.00 H new ATOM 0 HE21 GLN A 60 3.062 2.167 5.202 1.00 0.00 H new ATOM 0 HE22 GLN A 60 2.350 3.497 6.122 1.00 0.00 H new ATOM 927 N ALA A 61 3.877 5.140 -1.167 1.00 0.00 N ATOM 928 CA ALA A 61 3.720 6.105 -2.286 1.00 0.00 C ATOM 929 C ALA A 61 3.782 5.396 -3.642 1.00 0.00 C ATOM 930 O ALA A 61 3.447 5.973 -4.657 1.00 0.00 O ATOM 931 CB ALA A 61 4.821 7.177 -2.159 1.00 0.00 C ATOM 0 H ALA A 61 4.802 5.115 -0.737 1.00 0.00 H new ATOM 0 HA ALA A 61 2.741 6.580 -2.229 1.00 0.00 H new ATOM 0 HB1 ALA A 61 4.724 7.896 -2.972 1.00 0.00 H new ATOM 0 HB2 ALA A 61 4.719 7.692 -1.204 1.00 0.00 H new ATOM 0 HB3 ALA A 61 5.800 6.701 -2.211 1.00 0.00 H new ATOM 937 N CYS A 62 4.212 4.148 -3.638 1.00 0.00 N ATOM 938 CA CYS A 62 4.291 3.390 -4.931 1.00 0.00 C ATOM 939 C CYS A 62 2.994 2.624 -5.087 1.00 0.00 C ATOM 940 O CYS A 62 2.406 2.607 -6.147 1.00 0.00 O ATOM 941 CB CYS A 62 5.503 2.382 -4.888 1.00 0.00 C ATOM 942 SG CYS A 62 7.175 2.995 -5.324 1.00 0.00 S ATOM 0 H CYS A 62 4.506 3.632 -2.809 1.00 0.00 H new ATOM 0 HA CYS A 62 4.441 4.072 -5.768 1.00 0.00 H new ATOM 0 HB2 CYS A 62 5.555 1.970 -3.880 1.00 0.00 H new ATOM 0 HB3 CYS A 62 5.269 1.555 -5.559 1.00 0.00 H new ATOM 0 HG CYS A 62 8.033 2.023 -5.227 1.00 0.00 H new ATOM 947 N ARG A 63 2.563 1.999 -4.019 1.00 0.00 N ATOM 948 CA ARG A 63 1.304 1.242 -4.102 1.00 0.00 C ATOM 949 C ARG A 63 0.193 2.221 -4.381 1.00 0.00 C ATOM 950 O ARG A 63 -0.620 2.011 -5.245 1.00 0.00 O ATOM 951 CB ARG A 63 1.039 0.548 -2.754 1.00 0.00 C ATOM 952 CG ARG A 63 -0.088 -0.472 -2.928 1.00 0.00 C ATOM 953 CD ARG A 63 -0.268 -1.250 -1.624 1.00 0.00 C ATOM 954 NE ARG A 63 -1.427 -2.175 -1.769 1.00 0.00 N ATOM 955 CZ ARG A 63 -1.630 -3.094 -0.864 1.00 0.00 C ATOM 956 NH1 ARG A 63 -1.498 -2.779 0.395 1.00 0.00 N ATOM 957 NH2 ARG A 63 -1.957 -4.298 -1.250 1.00 0.00 N ATOM 0 H ARG A 63 3.029 1.987 -3.112 1.00 0.00 H new ATOM 0 HA ARG A 63 1.361 0.490 -4.889 1.00 0.00 H new ATOM 0 HB2 ARG A 63 1.944 0.052 -2.402 1.00 0.00 H new ATOM 0 HB3 ARG A 63 0.766 1.285 -1.999 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -1.016 0.035 -3.194 1.00 0.00 H new ATOM 0 HG3 ARG A 63 0.147 -1.156 -3.744 1.00 0.00 H new ATOM 0 HD2 ARG A 63 0.637 -1.813 -1.393 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -0.436 -0.562 -0.795 1.00 0.00 H new ATOM 0 HE ARG A 63 -2.056 -2.091 -2.568 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -1.240 -1.828 0.658 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -1.653 -3.484 1.116 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -2.050 -4.507 -2.244 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -2.120 -5.029 -0.558 1.00 0.00 H new ATOM 971 N LEU A 64 0.178 3.279 -3.609 1.00 0.00 N ATOM 972 CA LEU A 64 -0.857 4.316 -3.786 1.00 0.00 C ATOM 973 C LEU A 64 -0.776 4.898 -5.177 1.00 0.00 C ATOM 974 O LEU A 64 -1.728 4.903 -5.915 1.00 0.00 O ATOM 975 CB LEU A 64 -0.555 5.451 -2.811 1.00 0.00 C ATOM 976 CG LEU A 64 -1.672 6.519 -2.869 1.00 0.00 C ATOM 977 CD1 LEU A 64 -3.041 5.887 -2.424 1.00 0.00 C ATOM 978 CD2 LEU A 64 -1.290 7.679 -1.898 1.00 0.00 C ATOM 0 H LEU A 64 0.848 3.461 -2.861 1.00 0.00 H new ATOM 0 HA LEU A 64 -1.840 3.876 -3.618 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -0.471 5.057 -1.798 1.00 0.00 H new ATOM 0 HB3 LEU A 64 0.405 5.905 -3.057 1.00 0.00 H new ATOM 0 HG LEU A 64 -1.776 6.896 -3.887 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -3.823 6.645 -2.467 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -3.296 5.064 -3.092 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -2.955 5.513 -1.404 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -2.065 8.445 -1.923 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -1.197 7.289 -0.884 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -0.340 8.114 -2.207 1.00 0.00 H new ATOM 990 N ARG A 65 0.374 5.398 -5.518 1.00 0.00 N ATOM 991 CA ARG A 65 0.511 5.979 -6.858 1.00 0.00 C ATOM 992 C ARG A 65 0.054 4.983 -7.873 1.00 0.00 C ATOM 993 O ARG A 65 -0.550 5.334 -8.867 1.00 0.00 O ATOM 994 CB ARG A 65 2.005 6.344 -7.094 1.00 0.00 C ATOM 995 CG ARG A 65 2.195 6.881 -8.551 1.00 0.00 C ATOM 996 CD ARG A 65 2.671 5.747 -9.490 1.00 0.00 C ATOM 997 NE ARG A 65 2.135 6.000 -10.855 1.00 0.00 N ATOM 998 CZ ARG A 65 2.646 6.961 -11.576 1.00 0.00 C ATOM 999 NH1 ARG A 65 2.476 8.196 -11.193 1.00 0.00 N ATOM 1000 NH2 ARG A 65 3.314 6.652 -12.654 1.00 0.00 N ATOM 0 H ARG A 65 1.208 5.426 -4.931 1.00 0.00 H new ATOM 0 HA ARG A 65 -0.098 6.879 -6.947 1.00 0.00 H new ATOM 0 HB2 ARG A 65 2.323 7.098 -6.374 1.00 0.00 H new ATOM 0 HB3 ARG A 65 2.633 5.467 -6.935 1.00 0.00 H new ATOM 0 HG2 ARG A 65 1.255 7.294 -8.918 1.00 0.00 H new ATOM 0 HG3 ARG A 65 2.923 7.693 -8.554 1.00 0.00 H new ATOM 0 HD2 ARG A 65 3.760 5.708 -9.513 1.00 0.00 H new ATOM 0 HD3 ARG A 65 2.325 4.781 -9.121 1.00 0.00 H new ATOM 0 HE ARG A 65 1.375 5.428 -11.224 1.00 0.00 H new ATOM 0 HH11 ARG A 65 1.951 8.398 -10.342 1.00 0.00 H new ATOM 0 HH12 ARG A 65 2.868 8.959 -11.744 1.00 0.00 H new ATOM 0 HH21 ARG A 65 3.429 5.674 -12.920 1.00 0.00 H new ATOM 0 HH22 ARG A 65 3.721 7.389 -13.231 1.00 0.00 H new ATOM 1014 N LYS A 66 0.344 3.746 -7.621 1.00 0.00 N ATOM 1015 CA LYS A 66 -0.083 2.735 -8.569 1.00 0.00 C ATOM 1016 C LYS A 66 -1.577 2.613 -8.450 1.00 0.00 C ATOM 1017 O LYS A 66 -2.267 2.552 -9.432 1.00 0.00 O ATOM 1018 CB LYS A 66 0.588 1.387 -8.212 1.00 0.00 C ATOM 1019 CG LYS A 66 1.958 1.312 -8.916 1.00 0.00 C ATOM 1020 CD LYS A 66 1.759 0.974 -10.445 1.00 0.00 C ATOM 1021 CE LYS A 66 2.533 1.978 -11.320 1.00 0.00 C ATOM 1022 NZ LYS A 66 1.780 3.257 -11.442 1.00 0.00 N ATOM 0 H LYS A 66 0.853 3.408 -6.805 1.00 0.00 H new ATOM 0 HA LYS A 66 0.198 3.005 -9.587 1.00 0.00 H new ATOM 0 HB2 LYS A 66 0.713 1.302 -7.133 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -0.044 0.556 -8.526 1.00 0.00 H new ATOM 0 HG2 LYS A 66 2.483 2.261 -8.810 1.00 0.00 H new ATOM 0 HG3 LYS A 66 2.578 0.550 -8.444 1.00 0.00 H new ATOM 0 HD2 LYS A 66 2.106 -0.039 -10.649 1.00 0.00 H new ATOM 0 HD3 LYS A 66 0.699 1.004 -10.696 1.00 0.00 H new ATOM 0 HE2 LYS A 66 3.514 2.168 -10.884 1.00 0.00 H new ATOM 0 HE3 LYS A 66 2.700 1.553 -12.309 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 2.247 3.870 -12.141 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 0.807 3.059 -11.751 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 1.759 3.737 -10.520 1.00 0.00 H new ATOM 1036 N CYS A 67 -2.055 2.657 -7.219 1.00 0.00 N ATOM 1037 CA CYS A 67 -3.507 2.544 -7.001 1.00 0.00 C ATOM 1038 C CYS A 67 -4.234 3.573 -7.809 1.00 0.00 C ATOM 1039 O CYS A 67 -5.300 3.327 -8.308 1.00 0.00 O ATOM 1040 CB CYS A 67 -3.826 2.764 -5.525 1.00 0.00 C ATOM 1041 SG CYS A 67 -3.125 1.599 -4.329 1.00 0.00 S ATOM 0 H CYS A 67 -1.492 2.766 -6.375 1.00 0.00 H new ATOM 0 HA CYS A 67 -3.826 1.548 -7.307 1.00 0.00 H new ATOM 0 HB2 CYS A 67 -3.489 3.765 -5.255 1.00 0.00 H new ATOM 0 HB3 CYS A 67 -4.910 2.750 -5.411 1.00 0.00 H new ATOM 0 HG CYS A 67 -1.913 1.291 -4.683 1.00 0.00 H new ATOM 1047 N TYR A 68 -3.689 4.742 -7.896 1.00 0.00 N ATOM 1048 CA TYR A 68 -4.394 5.757 -8.696 1.00 0.00 C ATOM 1049 C TYR A 68 -4.172 5.422 -10.147 1.00 0.00 C ATOM 1050 O TYR A 68 -4.971 5.750 -11.002 1.00 0.00 O ATOM 1051 CB TYR A 68 -3.810 7.149 -8.383 1.00 0.00 C ATOM 1052 CG TYR A 68 -4.116 7.574 -6.911 1.00 0.00 C ATOM 1053 CD1 TYR A 68 -5.400 7.454 -6.365 1.00 0.00 C ATOM 1054 CD2 TYR A 68 -3.118 8.143 -6.124 1.00 0.00 C ATOM 1055 CE1 TYR A 68 -5.661 7.891 -5.082 1.00 0.00 C ATOM 1056 CE2 TYR A 68 -3.404 8.591 -4.850 1.00 0.00 C ATOM 1057 CZ TYR A 68 -4.668 8.463 -4.322 1.00 0.00 C ATOM 1058 OH TYR A 68 -4.926 8.876 -3.040 1.00 0.00 O ATOM 0 H TYR A 68 -2.813 5.032 -7.462 1.00 0.00 H new ATOM 0 HA TYR A 68 -5.459 5.767 -8.466 1.00 0.00 H new ATOM 0 HB2 TYR A 68 -2.732 7.138 -8.544 1.00 0.00 H new ATOM 0 HB3 TYR A 68 -4.228 7.884 -9.071 1.00 0.00 H new ATOM 0 HD1 TYR A 68 -6.193 7.016 -6.953 1.00 0.00 H new ATOM 0 HD2 TYR A 68 -2.114 8.234 -6.513 1.00 0.00 H new ATOM 0 HE1 TYR A 68 -6.654 7.783 -4.671 1.00 0.00 H new ATOM 0 HE2 TYR A 68 -2.624 9.049 -4.259 1.00 0.00 H new ATOM 0 HH TYR A 68 -4.295 9.583 -2.791 1.00 0.00 H new ATOM 1068 N GLU A 69 -3.074 4.764 -10.402 1.00 0.00 N ATOM 1069 CA GLU A 69 -2.764 4.379 -11.794 1.00 0.00 C ATOM 1070 C GLU A 69 -3.666 3.241 -12.190 1.00 0.00 C ATOM 1071 O GLU A 69 -3.981 3.045 -13.348 1.00 0.00 O ATOM 1072 CB GLU A 69 -1.289 3.932 -11.863 1.00 0.00 C ATOM 1073 CG GLU A 69 -0.750 4.168 -13.280 1.00 0.00 C ATOM 1074 CD GLU A 69 -0.622 5.672 -13.527 1.00 0.00 C ATOM 1075 OE1 GLU A 69 0.007 6.306 -12.695 1.00 0.00 O ATOM 1076 OE2 GLU A 69 -1.162 6.103 -14.533 1.00 0.00 O ATOM 0 H GLU A 69 -2.385 4.481 -9.705 1.00 0.00 H new ATOM 0 HA GLU A 69 -2.921 5.218 -12.472 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -0.695 4.489 -11.139 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -1.205 2.877 -11.601 1.00 0.00 H new ATOM 0 HG2 GLU A 69 0.220 3.684 -13.398 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -1.420 3.723 -14.015 1.00 0.00 H new ATOM 1083 N VAL A 70 -4.056 2.519 -11.205 1.00 0.00 N ATOM 1084 CA VAL A 70 -4.955 1.362 -11.446 1.00 0.00 C ATOM 1085 C VAL A 70 -6.208 1.896 -12.054 1.00 0.00 C ATOM 1086 O VAL A 70 -6.978 1.190 -12.676 1.00 0.00 O ATOM 1087 CB VAL A 70 -5.328 0.687 -10.064 1.00 0.00 C ATOM 1088 CG1 VAL A 70 -6.446 -0.330 -10.233 1.00 0.00 C ATOM 1089 CG2 VAL A 70 -4.140 -0.055 -9.461 1.00 0.00 C ATOM 0 H VAL A 70 -3.795 2.672 -10.231 1.00 0.00 H new ATOM 0 HA VAL A 70 -4.471 0.630 -12.093 1.00 0.00 H new ATOM 0 HB VAL A 70 -5.640 1.499 -9.407 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -6.680 -0.777 -9.267 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -7.333 0.166 -10.628 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -6.127 -1.109 -10.926 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -4.435 -0.505 -8.513 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -3.813 -0.836 -10.147 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -3.322 0.645 -9.291 1.00 0.00 H new ATOM 1099 N GLY A 71 -6.369 3.155 -11.881 1.00 0.00 N ATOM 1100 CA GLY A 71 -7.568 3.819 -12.419 1.00 0.00 C ATOM 1101 C GLY A 71 -8.727 3.426 -11.527 1.00 0.00 C ATOM 1102 O GLY A 71 -9.813 3.139 -11.990 1.00 0.00 O ATOM 0 H GLY A 71 -5.718 3.764 -11.386 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -7.438 4.901 -12.429 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -7.751 3.510 -13.448 1.00 0.00 H new ATOM 1106 N MET A 72 -8.461 3.422 -10.240 1.00 0.00 N ATOM 1107 CA MET A 72 -9.520 3.048 -9.274 1.00 0.00 C ATOM 1108 C MET A 72 -10.445 4.190 -8.998 1.00 0.00 C ATOM 1109 O MET A 72 -11.562 4.261 -9.467 1.00 0.00 O ATOM 1110 CB MET A 72 -8.847 2.714 -7.899 1.00 0.00 C ATOM 1111 CG MET A 72 -8.255 1.317 -7.911 1.00 0.00 C ATOM 1112 SD MET A 72 -9.076 0.151 -6.849 1.00 0.00 S ATOM 1113 CE MET A 72 -7.858 -0.002 -5.638 1.00 0.00 C ATOM 0 H MET A 72 -7.559 3.662 -9.828 1.00 0.00 H new ATOM 0 HA MET A 72 -10.069 2.209 -9.702 1.00 0.00 H new ATOM 0 HB2 MET A 72 -8.065 3.443 -7.686 1.00 0.00 H new ATOM 0 HB3 MET A 72 -9.584 2.794 -7.100 1.00 0.00 H new ATOM 0 HG2 MET A 72 -8.278 0.936 -8.932 1.00 0.00 H new ATOM 0 HG3 MET A 72 -7.207 1.379 -7.618 1.00 0.00 H new ATOM 0 HE1 MET A 72 -8.327 -0.190 -4.672 1.00 0.00 H new ATOM 0 HE2 MET A 72 -7.198 -0.833 -5.888 1.00 0.00 H new ATOM 0 HE3 MET A 72 -7.278 0.919 -5.587 1.00 0.00 H new ATOM 1123 N MET A 73 -9.919 5.049 -8.215 1.00 0.00 N ATOM 1124 CA MET A 73 -10.631 6.234 -7.797 1.00 0.00 C ATOM 1125 C MET A 73 -11.819 5.781 -7.036 1.00 0.00 C ATOM 1126 O MET A 73 -12.726 5.187 -7.586 1.00 0.00 O ATOM 1127 CB MET A 73 -11.073 7.069 -8.986 1.00 0.00 C ATOM 1128 CG MET A 73 -9.888 7.276 -9.933 1.00 0.00 C ATOM 1129 SD MET A 73 -10.121 8.418 -11.319 1.00 0.00 S ATOM 1130 CE MET A 73 -8.375 8.829 -11.575 1.00 0.00 C ATOM 0 H MET A 73 -8.977 4.968 -7.832 1.00 0.00 H new ATOM 0 HA MET A 73 -9.979 6.861 -7.189 1.00 0.00 H new ATOM 0 HB2 MET A 73 -11.889 6.571 -9.510 1.00 0.00 H new ATOM 0 HB3 MET A 73 -11.453 8.032 -8.646 1.00 0.00 H new ATOM 0 HG2 MET A 73 -9.043 7.630 -9.343 1.00 0.00 H new ATOM 0 HG3 MET A 73 -9.608 6.304 -10.340 1.00 0.00 H new ATOM 0 HE1 MET A 73 -8.285 9.535 -12.401 1.00 0.00 H new ATOM 0 HE2 MET A 73 -7.970 9.278 -10.668 1.00 0.00 H new ATOM 0 HE3 MET A 73 -7.818 7.922 -11.811 1.00 0.00 H new ATOM 1140 N LYS A 74 -11.798 6.050 -5.786 1.00 0.00 N ATOM 1141 CA LYS A 74 -12.925 5.636 -4.941 1.00 0.00 C ATOM 1142 C LYS A 74 -14.274 5.877 -5.636 1.00 0.00 C ATOM 1143 O LYS A 74 -15.132 5.017 -5.648 1.00 0.00 O ATOM 1144 CB LYS A 74 -12.891 6.422 -3.601 1.00 0.00 C ATOM 1145 CG LYS A 74 -14.224 6.197 -2.796 1.00 0.00 C ATOM 1146 CD LYS A 74 -15.165 7.407 -2.972 1.00 0.00 C ATOM 1147 CE LYS A 74 -16.387 7.231 -2.066 1.00 0.00 C ATOM 1148 NZ LYS A 74 -15.963 6.969 -0.662 1.00 0.00 N ATOM 0 H LYS A 74 -11.046 6.542 -5.304 1.00 0.00 H new ATOM 0 HA LYS A 74 -12.825 4.567 -4.754 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -12.039 6.097 -3.004 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -12.754 7.485 -3.799 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -14.718 5.290 -3.143 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -13.999 6.053 -1.739 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -14.641 8.330 -2.721 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -15.478 7.491 -4.013 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -17.007 8.127 -2.104 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -16.999 6.405 -2.427 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -16.731 7.233 -0.012 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -15.745 5.958 -0.548 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -15.116 7.532 -0.444 1.00 0.00 H new ATOM 1162 N GLY A 75 -14.427 7.046 -6.198 1.00 0.00 N ATOM 1163 CA GLY A 75 -15.707 7.366 -6.895 1.00 0.00 C ATOM 1164 C GLY A 75 -15.717 6.754 -8.297 1.00 0.00 C ATOM 1165 O GLY A 75 -15.645 7.538 -9.230 1.00 0.00 O ATOM 1166 OXT GLY A 75 -15.796 5.538 -8.357 1.00 0.00 O ATOM 0 H GLY A 75 -13.727 7.788 -6.205 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -16.549 6.983 -6.318 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -15.832 8.447 -6.962 1.00 0.00 H new