USER MOD reduce.3.24.130724 H: found=0, std=0, add=498, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 499 hydrogens (2 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 Single : A 1 LYS N :NH3+ -125:sc= 1.07 (180deg=-1.06!) USER MOD Single : A 1 LYS NZ :NH3+ 156:sc= 2.18 (180deg=0.661) USER MOD Single : A 4 TYR OH : rot -58:sc= 0.827 USER MOD Single : A 8 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0666) USER MOD Single : A 9 ASN : amide:sc=-0.00905 K(o=-0.009,f=-0.51) USER MOD Single : A 10 THR OG1 : rot 180:sc= 0.0752 USER MOD Single : A 13 LYS NZ :NH3+ -165:sc= 1.17 (180deg=0.952) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ 175:sc= 1.29 (180deg=1.23) USER MOD Single : A 22 ASN : amide:sc= 0.0677 K(o=0.068,f=-5.7!) USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ 179:sc= -0.0237 (180deg=-0.0246) USER MOD Single : A 31 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 32 GLN : amide:sc= -3.29! C(o=-3.3!,f=-4.5!) USER MOD Single : A 33 TYR OH : rot 129:sc= 1.33 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 42 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 THR OG1 : rot -65:sc= 1.19 USER MOD Single : A 50 HIS : no HD1:sc= -0.195 X(o=-0.19,f=-0.16) USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 GLN : amide:sc= -0.21 K(o=-0.21,f=-1.3) USER MOD Single : A 62 ASN : amide:sc= 0.471 K(o=0.47,f=-5.5!) USER MOD Single : A 63 LYS NZ :NH3+ 162:sc= 1.62 (180deg=1.07) USER MOD Single : A 66 SER OG : rot 26:sc= 1.04 USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 -10.817 0.188 1.136 1.00 1.00 N ATOM 2 CA LYS A 1 -9.623 0.885 1.584 1.00 1.00 C ATOM 3 C LYS A 1 -8.687 1.102 0.393 1.00 1.00 C ATOM 4 O LYS A 1 -7.582 0.562 0.361 1.00 1.00 O ATOM 5 CB LYS A 1 -8.972 0.140 2.750 1.00 1.00 C ATOM 6 CG LYS A 1 -7.960 1.030 3.474 1.00 1.00 C ATOM 7 CD LYS A 1 -7.551 0.417 4.815 1.00 1.00 C ATOM 8 CE LYS A 1 -6.608 -0.770 4.610 1.00 1.00 C ATOM 9 NZ LYS A 1 -6.261 -1.386 5.911 1.00 1.00 N ATOM 0 H1 LYS A 1 -11.660 0.736 1.403 1.00 1.00 H new ATOM 0 H2 LYS A 1 -10.788 0.079 0.102 1.00 1.00 H new ATOM 0 H3 LYS A 1 -10.859 -0.751 1.582 1.00 1.00 H new ATOM 0 HA LYS A 1 -9.881 1.871 1.971 1.00 1.00 H new ATOM 0 HB2 LYS A 1 -9.740 -0.188 3.451 1.00 1.00 H new ATOM 0 HB3 LYS A 1 -8.474 -0.757 2.381 1.00 1.00 H new ATOM 0 HG2 LYS A 1 -7.078 1.167 2.849 1.00 1.00 H new ATOM 0 HG3 LYS A 1 -8.391 2.018 3.638 1.00 1.00 H new ATOM 0 HD2 LYS A 1 -7.062 1.172 5.430 1.00 1.00 H new ATOM 0 HD3 LYS A 1 -8.439 0.091 5.356 1.00 1.00 H new ATOM 0 HE2 LYS A 1 -7.081 -1.510 3.965 1.00 1.00 H new ATOM 0 HE3 LYS A 1 -5.701 -0.439 4.104 1.00 1.00 H new ATOM 0 HZ1 LYS A 1 -5.983 -2.377 5.763 1.00 1.00 H new ATOM 0 HZ2 LYS A 1 -5.471 -0.865 6.342 1.00 1.00 H new ATOM 0 HZ3 LYS A 1 -7.086 -1.349 6.544 1.00 1.00 H new ATOM 25 N GLU A 2 -9.165 1.891 -0.558 1.00 1.00 N ATOM 26 CA GLU A 2 -8.615 1.859 -1.903 1.00 1.00 C ATOM 27 C GLU A 2 -7.466 2.862 -2.031 1.00 1.00 C ATOM 28 O GLU A 2 -7.453 3.887 -1.352 1.00 1.00 O ATOM 29 CB GLU A 2 -9.701 2.135 -2.946 1.00 1.00 C ATOM 30 CG GLU A 2 -10.928 1.252 -2.706 1.00 1.00 C ATOM 31 CD GLU A 2 -10.514 -0.188 -2.394 1.00 1.00 C ATOM 32 OE1 GLU A 2 -9.939 -0.823 -3.304 1.00 1.00 O ATOM 33 OE2 GLU A 2 -10.782 -0.620 -1.252 1.00 1.00 O ATOM 0 H GLU A 2 -9.927 2.556 -0.424 1.00 1.00 H new ATOM 0 HA GLU A 2 -8.222 0.860 -2.090 1.00 1.00 H new ATOM 0 HB2 GLU A 2 -9.991 3.185 -2.906 1.00 1.00 H new ATOM 0 HB3 GLU A 2 -9.306 1.951 -3.945 1.00 1.00 H new ATOM 0 HG2 GLU A 2 -11.513 1.653 -1.879 1.00 1.00 H new ATOM 0 HG3 GLU A 2 -11.569 1.267 -3.587 1.00 1.00 H new ATOM 40 N GLY A 3 -6.527 2.529 -2.904 1.00 1.00 N ATOM 41 CA GLY A 3 -5.400 3.408 -3.162 1.00 1.00 C ATOM 42 C GLY A 3 -4.472 2.813 -4.225 1.00 1.00 C ATOM 43 O GLY A 3 -4.840 1.862 -4.913 1.00 1.00 O ATOM 0 H GLY A 3 -6.524 1.662 -3.442 1.00 1.00 H new ATOM 0 HA2 GLY A 3 -5.762 4.381 -3.494 1.00 1.00 H new ATOM 0 HA3 GLY A 3 -4.844 3.572 -2.239 1.00 1.00 H new ATOM 47 N TYR A 4 -3.289 3.398 -4.325 1.00 1.00 N ATOM 48 CA TYR A 4 -2.265 2.870 -5.212 1.00 1.00 C ATOM 49 C TYR A 4 -1.793 1.491 -4.745 1.00 1.00 C ATOM 50 O TYR A 4 -2.077 1.083 -3.619 1.00 1.00 O ATOM 51 CB TYR A 4 -1.093 3.850 -5.135 1.00 1.00 C ATOM 52 CG TYR A 4 -1.385 5.218 -5.753 1.00 1.00 C ATOM 53 CD1 TYR A 4 -1.826 5.306 -7.058 1.00 1.00 C ATOM 54 CD2 TYR A 4 -1.205 6.365 -5.007 1.00 1.00 C ATOM 55 CE1 TYR A 4 -2.100 6.594 -7.641 1.00 1.00 C ATOM 56 CE2 TYR A 4 -1.480 7.653 -5.590 1.00 1.00 C ATOM 57 CZ TYR A 4 -1.914 7.704 -6.878 1.00 1.00 C ATOM 58 OH TYR A 4 -2.172 8.921 -7.428 1.00 1.00 O ATOM 0 H TYR A 4 -3.015 4.233 -3.807 1.00 1.00 H new ATOM 0 HA TYR A 4 -2.653 2.762 -6.225 1.00 1.00 H new ATOM 0 HB2 TYR A 4 -0.815 3.987 -4.090 1.00 1.00 H new ATOM 0 HB3 TYR A 4 -0.232 3.411 -5.639 1.00 1.00 H new ATOM 0 HD1 TYR A 4 -1.966 4.408 -7.642 1.00 1.00 H new ATOM 0 HD2 TYR A 4 -0.858 6.297 -3.987 1.00 1.00 H new ATOM 0 HE1 TYR A 4 -2.445 6.676 -8.661 1.00 1.00 H new ATOM 0 HE2 TYR A 4 -1.345 8.558 -5.017 1.00 1.00 H new ATOM 0 HH TYR A 4 -1.615 9.045 -8.225 1.00 1.00 H new ATOM 68 N LEU A 5 -1.082 0.813 -5.633 1.00 1.00 N ATOM 69 CA LEU A 5 -0.282 -0.332 -5.233 1.00 1.00 C ATOM 70 C LEU A 5 1.077 0.155 -4.725 1.00 1.00 C ATOM 71 O LEU A 5 1.414 1.329 -4.869 1.00 1.00 O ATOM 72 CB LEU A 5 -0.183 -1.343 -6.376 1.00 1.00 C ATOM 73 CG LEU A 5 -1.053 -2.595 -6.242 1.00 1.00 C ATOM 74 CD1 LEU A 5 -2.518 -2.222 -6.002 1.00 1.00 C ATOM 75 CD2 LEU A 5 -0.886 -3.512 -7.455 1.00 1.00 C ATOM 0 H LEU A 5 -1.043 1.034 -6.628 1.00 1.00 H new ATOM 0 HA LEU A 5 -0.761 -0.862 -4.410 1.00 1.00 H new ATOM 0 HB2 LEU A 5 -0.448 -0.838 -7.305 1.00 1.00 H new ATOM 0 HB3 LEU A 5 0.857 -1.656 -6.469 1.00 1.00 H new ATOM 0 HG LEU A 5 -0.716 -3.153 -5.369 1.00 1.00 H new ATOM 0 HD11 LEU A 5 -3.114 -3.130 -5.910 1.00 1.00 H new ATOM 0 HD12 LEU A 5 -2.600 -1.640 -5.084 1.00 1.00 H new ATOM 0 HD13 LEU A 5 -2.885 -1.630 -6.841 1.00 1.00 H new ATOM 0 HD21 LEU A 5 -1.515 -4.394 -7.334 1.00 1.00 H new ATOM 0 HD22 LEU A 5 -1.180 -2.978 -8.358 1.00 1.00 H new ATOM 0 HD23 LEU A 5 0.157 -3.819 -7.538 1.00 1.00 H new ATOM 87 N VAL A 6 1.821 -0.772 -4.141 1.00 1.00 N ATOM 88 CA VAL A 6 3.066 -0.424 -3.475 1.00 1.00 C ATOM 89 C VAL A 6 3.989 -1.644 -3.460 1.00 1.00 C ATOM 90 O VAL A 6 3.523 -2.780 -3.403 1.00 1.00 O ATOM 91 CB VAL A 6 2.775 0.123 -2.076 1.00 1.00 C ATOM 92 CG1 VAL A 6 2.046 -0.915 -1.221 1.00 1.00 C ATOM 93 CG2 VAL A 6 4.062 0.591 -1.392 1.00 1.00 C ATOM 0 H VAL A 6 1.586 -1.764 -4.115 1.00 1.00 H new ATOM 0 HA VAL A 6 3.582 0.368 -4.018 1.00 1.00 H new ATOM 0 HB VAL A 6 2.119 0.987 -2.184 1.00 1.00 H new ATOM 0 HG11 VAL A 6 1.852 -0.500 -0.232 1.00 1.00 H new ATOM 0 HG12 VAL A 6 1.101 -1.179 -1.696 1.00 1.00 H new ATOM 0 HG13 VAL A 6 2.665 -1.807 -1.125 1.00 1.00 H new ATOM 0 HG21 VAL A 6 3.827 0.975 -0.399 1.00 1.00 H new ATOM 0 HG22 VAL A 6 4.752 -0.248 -1.303 1.00 1.00 H new ATOM 0 HG23 VAL A 6 4.524 1.379 -1.986 1.00 1.00 H new ATOM 103 N ASP A 7 5.283 -1.366 -3.511 1.00 1.00 N ATOM 104 CA ASP A 7 6.280 -2.403 -3.306 1.00 1.00 C ATOM 105 C ASP A 7 6.691 -2.426 -1.832 1.00 1.00 C ATOM 106 O ASP A 7 7.110 -1.407 -1.285 1.00 1.00 O ATOM 107 CB ASP A 7 7.534 -2.137 -4.142 1.00 1.00 C ATOM 108 CG ASP A 7 8.739 -3.013 -3.797 1.00 1.00 C ATOM 109 OD1 ASP A 7 8.504 -4.110 -3.247 1.00 1.00 O ATOM 110 OD2 ASP A 7 9.869 -2.566 -4.092 1.00 1.00 O ATOM 0 H ASP A 7 5.664 -0.437 -3.691 1.00 1.00 H new ATOM 0 HA ASP A 7 5.842 -3.355 -3.607 1.00 1.00 H new ATOM 0 HB2 ASP A 7 7.288 -2.281 -5.194 1.00 1.00 H new ATOM 0 HB3 ASP A 7 7.818 -1.091 -4.022 1.00 1.00 H new ATOM 115 N LYS A 8 6.555 -3.599 -1.230 1.00 1.00 N ATOM 116 CA LYS A 8 6.657 -3.715 0.214 1.00 1.00 C ATOM 117 C LYS A 8 8.081 -3.362 0.651 1.00 1.00 C ATOM 118 O LYS A 8 8.297 -2.932 1.782 1.00 1.00 O ATOM 119 CB LYS A 8 6.200 -5.101 0.673 1.00 1.00 C ATOM 120 CG LYS A 8 4.736 -5.075 1.118 1.00 1.00 C ATOM 121 CD LYS A 8 4.610 -4.589 2.563 1.00 1.00 C ATOM 122 CE LYS A 8 3.142 -4.490 2.983 1.00 1.00 C ATOM 123 NZ LYS A 8 2.547 -5.839 3.108 1.00 1.00 N ATOM 0 H LYS A 8 6.375 -4.477 -1.717 1.00 1.00 H new ATOM 0 HA LYS A 8 5.988 -3.005 0.701 1.00 1.00 H new ATOM 0 HB2 LYS A 8 6.324 -5.817 -0.140 1.00 1.00 H new ATOM 0 HB3 LYS A 8 6.828 -5.441 1.496 1.00 1.00 H new ATOM 0 HG2 LYS A 8 4.164 -4.421 0.460 1.00 1.00 H new ATOM 0 HG3 LYS A 8 4.307 -6.073 1.028 1.00 1.00 H new ATOM 0 HD2 LYS A 8 5.137 -5.274 3.228 1.00 1.00 H new ATOM 0 HD3 LYS A 8 5.088 -3.615 2.666 1.00 1.00 H new ATOM 0 HE2 LYS A 8 3.064 -3.962 3.934 1.00 1.00 H new ATOM 0 HE3 LYS A 8 2.586 -3.907 2.249 1.00 1.00 H new ATOM 0 HZ1 LYS A 8 1.603 -5.764 3.538 1.00 1.00 H new ATOM 0 HZ2 LYS A 8 2.465 -6.271 2.165 1.00 1.00 H new ATOM 0 HZ3 LYS A 8 3.155 -6.432 3.709 1.00 1.00 H new ATOM 137 N ASN A 9 9.013 -3.556 -0.270 1.00 1.00 N ATOM 138 CA ASN A 9 10.419 -3.351 0.035 1.00 1.00 C ATOM 139 C ASN A 9 10.695 -1.853 0.175 1.00 1.00 C ATOM 140 O ASN A 9 10.797 -1.338 1.287 1.00 1.00 O ATOM 141 CB ASN A 9 11.310 -3.893 -1.086 1.00 1.00 C ATOM 142 CG ASN A 9 11.810 -5.301 -0.756 1.00 1.00 C ATOM 143 OD1 ASN A 9 11.176 -6.063 -0.044 1.00 1.00 O ATOM 144 ND2 ASN A 9 12.981 -5.602 -1.310 1.00 1.00 N ATOM 0 H ASN A 9 8.823 -3.853 -1.227 1.00 1.00 H new ATOM 0 HA ASN A 9 10.643 -3.879 0.962 1.00 1.00 H new ATOM 0 HB2 ASN A 9 10.752 -3.911 -2.022 1.00 1.00 H new ATOM 0 HB3 ASN A 9 12.160 -3.227 -1.234 1.00 1.00 H new ATOM 0 HD21 ASN A 9 13.401 -6.517 -1.149 1.00 1.00 H new ATOM 0 HD22 ASN A 9 13.459 -4.917 -1.896 1.00 1.00 H new ATOM 151 N THR A 10 10.806 -1.195 -0.969 1.00 1.00 N ATOM 152 CA THR A 10 11.288 0.176 -1.001 1.00 1.00 C ATOM 153 C THR A 10 10.112 1.154 -0.998 1.00 1.00 C ATOM 154 O THR A 10 10.274 2.324 -0.656 1.00 1.00 O ATOM 155 CB THR A 10 12.201 0.328 -2.219 1.00 1.00 C ATOM 156 OG1 THR A 10 11.530 -0.392 -3.249 1.00 1.00 O ATOM 157 CG2 THR A 10 13.530 -0.412 -2.051 1.00 1.00 C ATOM 0 H THR A 10 10.570 -1.586 -1.881 1.00 1.00 H new ATOM 0 HA THR A 10 11.869 0.412 -0.110 1.00 1.00 H new ATOM 0 HB THR A 10 12.395 1.386 -2.397 1.00 1.00 H new ATOM 0 HG1 THR A 10 12.053 -0.344 -4.076 1.00 1.00 H new ATOM 0 HG21 THR A 10 14.140 -0.272 -2.943 1.00 1.00 H new ATOM 0 HG22 THR A 10 14.059 -0.017 -1.184 1.00 1.00 H new ATOM 0 HG23 THR A 10 13.339 -1.475 -1.906 1.00 1.00 H new ATOM 165 N GLY A 11 8.953 0.639 -1.380 1.00 1.00 N ATOM 166 CA GLY A 11 7.846 1.495 -1.772 1.00 1.00 C ATOM 167 C GLY A 11 8.191 2.298 -3.028 1.00 1.00 C ATOM 168 O GLY A 11 7.853 3.476 -3.128 1.00 1.00 O ATOM 0 H GLY A 11 8.756 -0.361 -1.427 1.00 1.00 H new ATOM 0 HA2 GLY A 11 6.960 0.888 -1.956 1.00 1.00 H new ATOM 0 HA3 GLY A 11 7.602 2.176 -0.957 1.00 1.00 H new ATOM 172 N CYS A 12 8.860 1.627 -3.955 1.00 1.00 N ATOM 173 CA CYS A 12 9.051 2.179 -5.285 1.00 1.00 C ATOM 174 C CYS A 12 8.077 1.486 -6.238 1.00 1.00 C ATOM 175 O CYS A 12 7.183 0.764 -5.800 1.00 1.00 O ATOM 176 CB CYS A 12 10.502 2.040 -5.752 1.00 1.00 C ATOM 177 SG CYS A 12 11.323 3.616 -6.189 1.00 1.00 S ATOM 0 H CYS A 12 9.276 0.707 -3.811 1.00 1.00 H new ATOM 0 HA CYS A 12 8.843 3.249 -5.270 1.00 1.00 H new ATOM 0 HB2 CYS A 12 11.077 1.553 -4.964 1.00 1.00 H new ATOM 0 HB3 CYS A 12 10.528 1.381 -6.619 1.00 1.00 H new ATOM 182 N LYS A 13 8.280 1.731 -7.525 1.00 1.00 N ATOM 183 CA LYS A 13 7.504 1.052 -8.548 1.00 1.00 C ATOM 184 C LYS A 13 6.060 1.558 -8.507 1.00 1.00 C ATOM 185 O LYS A 13 5.707 2.366 -7.650 1.00 1.00 O ATOM 186 CB LYS A 13 7.629 -0.466 -8.396 1.00 1.00 C ATOM 187 CG LYS A 13 9.095 -0.903 -8.446 1.00 1.00 C ATOM 188 CD LYS A 13 9.435 -1.812 -7.264 1.00 1.00 C ATOM 189 CE LYS A 13 10.875 -2.321 -7.361 1.00 1.00 C ATOM 190 NZ LYS A 13 11.188 -3.213 -6.222 1.00 1.00 N ATOM 0 H LYS A 13 8.971 2.391 -7.882 1.00 1.00 H new ATOM 0 HA LYS A 13 7.895 1.283 -9.539 1.00 1.00 H new ATOM 0 HB2 LYS A 13 7.185 -0.778 -7.451 1.00 1.00 H new ATOM 0 HB3 LYS A 13 7.071 -0.962 -9.190 1.00 1.00 H new ATOM 0 HG2 LYS A 13 9.290 -1.428 -9.381 1.00 1.00 H new ATOM 0 HG3 LYS A 13 9.741 -0.025 -8.432 1.00 1.00 H new ATOM 0 HD2 LYS A 13 9.300 -1.266 -6.330 1.00 1.00 H new ATOM 0 HD3 LYS A 13 8.747 -2.657 -7.241 1.00 1.00 H new ATOM 0 HE2 LYS A 13 11.015 -2.857 -8.300 1.00 1.00 H new ATOM 0 HE3 LYS A 13 11.565 -1.477 -7.370 1.00 1.00 H new ATOM 0 HZ1 LYS A 13 12.218 -3.345 -6.157 1.00 1.00 H new ATOM 0 HZ2 LYS A 13 10.837 -2.787 -5.341 1.00 1.00 H new ATOM 0 HZ3 LYS A 13 10.729 -4.135 -6.367 1.00 1.00 H new ATOM 204 N TYR A 14 5.266 1.060 -9.443 1.00 1.00 N ATOM 205 CA TYR A 14 3.950 1.625 -9.685 1.00 1.00 C ATOM 206 C TYR A 14 4.022 3.148 -9.814 1.00 1.00 C ATOM 207 O TYR A 14 3.886 3.866 -8.823 1.00 1.00 O ATOM 208 CB TYR A 14 3.106 1.268 -8.459 1.00 1.00 C ATOM 209 CG TYR A 14 3.078 -0.228 -8.137 1.00 1.00 C ATOM 210 CD1 TYR A 14 2.316 -1.085 -8.904 1.00 1.00 C ATOM 211 CD2 TYR A 14 3.816 -0.719 -7.080 1.00 1.00 C ATOM 212 CE1 TYR A 14 2.289 -2.493 -8.600 1.00 1.00 C ATOM 213 CE2 TYR A 14 3.790 -2.126 -6.776 1.00 1.00 C ATOM 214 CZ TYR A 14 3.028 -2.943 -7.552 1.00 1.00 C ATOM 215 OH TYR A 14 3.004 -4.273 -7.265 1.00 1.00 O ATOM 0 H TYR A 14 5.509 0.271 -10.043 1.00 1.00 H new ATOM 0 HA TYR A 14 3.529 1.234 -10.611 1.00 1.00 H new ATOM 0 HB2 TYR A 14 3.493 1.808 -7.595 1.00 1.00 H new ATOM 0 HB3 TYR A 14 2.085 1.614 -8.620 1.00 1.00 H new ATOM 0 HD1 TYR A 14 1.740 -0.700 -9.732 1.00 1.00 H new ATOM 0 HD2 TYR A 14 4.413 -0.048 -6.481 1.00 1.00 H new ATOM 0 HE1 TYR A 14 1.695 -3.175 -9.191 1.00 1.00 H new ATOM 0 HE2 TYR A 14 4.362 -2.524 -5.951 1.00 1.00 H new ATOM 0 HH TYR A 14 3.579 -4.451 -6.492 1.00 1.00 H new ATOM 225 N GLU A 15 4.235 3.596 -11.042 1.00 1.00 N ATOM 226 CA GLU A 15 4.555 4.993 -11.283 1.00 1.00 C ATOM 227 C GLU A 15 4.228 5.370 -12.730 1.00 1.00 C ATOM 228 O GLU A 15 5.127 5.513 -13.556 1.00 1.00 O ATOM 229 CB GLU A 15 6.021 5.284 -10.959 1.00 1.00 C ATOM 230 CG GLU A 15 6.927 4.155 -11.455 1.00 1.00 C ATOM 231 CD GLU A 15 8.386 4.415 -11.074 1.00 1.00 C ATOM 232 OE1 GLU A 15 9.008 5.258 -11.754 1.00 1.00 O ATOM 233 OE2 GLU A 15 8.845 3.763 -10.111 1.00 1.00 O ATOM 0 H GLU A 15 4.192 3.017 -11.881 1.00 1.00 H new ATOM 0 HA GLU A 15 3.943 5.605 -10.621 1.00 1.00 H new ATOM 0 HB2 GLU A 15 6.320 6.225 -11.422 1.00 1.00 H new ATOM 0 HB3 GLU A 15 6.142 5.406 -9.883 1.00 1.00 H new ATOM 0 HG2 GLU A 15 6.599 3.207 -11.028 1.00 1.00 H new ATOM 0 HG3 GLU A 15 6.841 4.064 -12.538 1.00 1.00 H new ATOM 240 N CYS A 16 2.938 5.519 -12.992 1.00 1.00 N ATOM 241 CA CYS A 16 2.402 5.220 -14.309 1.00 1.00 C ATOM 242 C CYS A 16 2.453 6.496 -15.150 1.00 1.00 C ATOM 243 O CYS A 16 1.507 7.282 -15.151 1.00 1.00 O ATOM 244 CB CYS A 16 0.985 4.647 -14.226 1.00 1.00 C ATOM 245 SG CYS A 16 0.260 4.157 -15.834 1.00 1.00 S ATOM 0 H CYS A 16 2.248 5.843 -12.314 1.00 1.00 H new ATOM 0 HA CYS A 16 3.008 4.449 -14.784 1.00 1.00 H new ATOM 0 HB2 CYS A 16 0.998 3.777 -13.569 1.00 1.00 H new ATOM 0 HB3 CYS A 16 0.335 5.388 -13.761 1.00 1.00 H new ATOM 250 N LEU A 17 3.568 6.664 -15.846 1.00 1.00 N ATOM 251 CA LEU A 17 3.653 7.667 -16.894 1.00 1.00 C ATOM 252 C LEU A 17 2.531 7.436 -17.907 1.00 1.00 C ATOM 253 O LEU A 17 2.216 6.294 -18.241 1.00 1.00 O ATOM 254 CB LEU A 17 5.051 7.675 -17.516 1.00 1.00 C ATOM 255 CG LEU A 17 6.192 8.107 -16.594 1.00 1.00 C ATOM 256 CD1 LEU A 17 7.552 7.780 -17.215 1.00 1.00 C ATOM 257 CD2 LEU A 17 6.071 9.587 -16.226 1.00 1.00 C ATOM 0 H LEU A 17 4.420 6.122 -15.705 1.00 1.00 H new ATOM 0 HA LEU A 17 3.508 8.664 -16.479 1.00 1.00 H new ATOM 0 HB2 LEU A 17 5.268 6.673 -17.886 1.00 1.00 H new ATOM 0 HB3 LEU A 17 5.038 8.338 -18.381 1.00 1.00 H new ATOM 0 HG LEU A 17 6.115 7.538 -15.667 1.00 1.00 H new ATOM 0 HD11 LEU A 17 8.346 8.097 -16.539 1.00 1.00 H new ATOM 0 HD12 LEU A 17 7.626 6.706 -17.383 1.00 1.00 H new ATOM 0 HD13 LEU A 17 7.653 8.304 -18.165 1.00 1.00 H new ATOM 0 HD21 LEU A 17 6.895 9.867 -15.570 1.00 1.00 H new ATOM 0 HD22 LEU A 17 6.107 10.191 -17.132 1.00 1.00 H new ATOM 0 HD23 LEU A 17 5.124 9.758 -15.713 1.00 1.00 H new ATOM 269 N LYS A 18 1.957 8.538 -18.368 1.00 1.00 N ATOM 270 CA LYS A 18 0.739 8.472 -19.159 1.00 1.00 C ATOM 271 C LYS A 18 -0.376 7.845 -18.320 1.00 1.00 C ATOM 272 O LYS A 18 -0.705 6.673 -18.496 1.00 1.00 O ATOM 273 CB LYS A 18 0.997 7.747 -20.481 1.00 1.00 C ATOM 274 CG LYS A 18 -0.172 7.941 -21.450 1.00 1.00 C ATOM 275 CD LYS A 18 -0.105 6.932 -22.598 1.00 1.00 C ATOM 276 CE LYS A 18 -1.336 7.045 -23.500 1.00 1.00 C ATOM 277 NZ LYS A 18 -1.482 5.831 -24.332 1.00 1.00 N ATOM 0 H LYS A 18 2.312 9.481 -18.209 1.00 1.00 H new ATOM 0 HA LYS A 18 0.407 9.474 -19.432 1.00 1.00 H new ATOM 0 HB2 LYS A 18 1.915 8.123 -20.933 1.00 1.00 H new ATOM 0 HB3 LYS A 18 1.146 6.684 -20.294 1.00 1.00 H new ATOM 0 HG2 LYS A 18 -1.115 7.827 -20.915 1.00 1.00 H new ATOM 0 HG3 LYS A 18 -0.153 8.955 -21.850 1.00 1.00 H new ATOM 0 HD2 LYS A 18 0.797 7.103 -23.185 1.00 1.00 H new ATOM 0 HD3 LYS A 18 -0.036 5.921 -22.195 1.00 1.00 H new ATOM 0 HE2 LYS A 18 -2.229 7.185 -22.891 1.00 1.00 H new ATOM 0 HE3 LYS A 18 -1.246 7.923 -24.140 1.00 1.00 H new ATOM 0 HZ1 LYS A 18 -2.367 5.887 -24.875 1.00 1.00 H new ATOM 0 HZ2 LYS A 18 -0.677 5.760 -24.987 1.00 1.00 H new ATOM 0 HZ3 LYS A 18 -1.505 4.991 -23.719 1.00 1.00 H new ATOM 291 N LEU A 19 -0.927 8.653 -17.426 1.00 1.00 N ATOM 292 CA LEU A 19 -2.127 8.265 -16.706 1.00 1.00 C ATOM 293 C LEU A 19 -3.236 7.943 -17.710 1.00 1.00 C ATOM 294 O LEU A 19 -3.270 8.503 -18.804 1.00 1.00 O ATOM 295 CB LEU A 19 -2.512 9.340 -15.687 1.00 1.00 C ATOM 296 CG LEU A 19 -2.939 10.690 -16.265 1.00 1.00 C ATOM 297 CD1 LEU A 19 -4.464 10.817 -16.296 1.00 1.00 C ATOM 298 CD2 LEU A 19 -2.283 11.844 -15.505 1.00 1.00 C ATOM 0 H LEU A 19 -0.564 9.575 -17.184 1.00 1.00 H new ATOM 0 HA LEU A 19 -1.948 7.359 -16.126 1.00 1.00 H new ATOM 0 HB2 LEU A 19 -3.327 8.956 -15.074 1.00 1.00 H new ATOM 0 HB3 LEU A 19 -1.663 9.504 -15.023 1.00 1.00 H new ATOM 0 HG LEU A 19 -2.591 10.745 -17.297 1.00 1.00 H new ATOM 0 HD11 LEU A 19 -4.740 11.786 -16.711 1.00 1.00 H new ATOM 0 HD12 LEU A 19 -4.883 10.024 -16.916 1.00 1.00 H new ATOM 0 HD13 LEU A 19 -4.857 10.731 -15.283 1.00 1.00 H new ATOM 0 HD21 LEU A 19 -2.603 12.792 -15.936 1.00 1.00 H new ATOM 0 HD22 LEU A 19 -2.579 11.804 -14.457 1.00 1.00 H new ATOM 0 HD23 LEU A 19 -1.199 11.759 -15.580 1.00 1.00 H new ATOM 310 N GLY A 20 -4.118 7.044 -17.299 1.00 1.00 N ATOM 311 CA GLY A 20 -5.206 6.615 -18.162 1.00 1.00 C ATOM 312 C GLY A 20 -5.119 5.114 -18.450 1.00 1.00 C ATOM 313 O GLY A 20 -6.067 4.374 -18.195 1.00 1.00 O ATOM 0 H GLY A 20 -4.102 6.601 -16.380 1.00 1.00 H new ATOM 0 HA2 GLY A 20 -6.161 6.843 -17.689 1.00 1.00 H new ATOM 0 HA3 GLY A 20 -5.173 7.171 -19.099 1.00 1.00 H new ATOM 317 N ASP A 21 -3.972 4.711 -18.977 1.00 1.00 N ATOM 318 CA ASP A 21 -3.853 3.403 -19.597 1.00 1.00 C ATOM 319 C ASP A 21 -3.961 2.322 -18.521 1.00 1.00 C ATOM 320 O ASP A 21 -2.973 1.988 -17.869 1.00 1.00 O ATOM 321 CB ASP A 21 -2.499 3.244 -20.293 1.00 1.00 C ATOM 322 CG ASP A 21 -2.225 4.248 -21.414 1.00 1.00 C ATOM 323 OD1 ASP A 21 -2.455 5.451 -21.166 1.00 1.00 O ATOM 324 OD2 ASP A 21 -1.793 3.789 -22.493 1.00 1.00 O ATOM 0 H ASP A 21 -3.117 5.267 -18.987 1.00 1.00 H new ATOM 0 HA ASP A 21 -4.651 3.305 -20.333 1.00 1.00 H new ATOM 0 HB2 ASP A 21 -1.711 3.333 -19.545 1.00 1.00 H new ATOM 0 HB3 ASP A 21 -2.435 2.237 -20.705 1.00 1.00 H new ATOM 329 N ASN A 22 -5.171 1.804 -18.367 1.00 1.00 N ATOM 330 CA ASN A 22 -5.454 0.867 -17.292 1.00 1.00 C ATOM 331 C ASN A 22 -5.339 -0.562 -17.824 1.00 1.00 C ATOM 332 O ASN A 22 -6.291 -1.338 -17.741 1.00 1.00 O ATOM 333 CB ASN A 22 -6.873 1.060 -16.753 1.00 1.00 C ATOM 334 CG ASN A 22 -7.910 0.872 -17.861 1.00 1.00 C ATOM 335 OD1 ASN A 22 -7.743 1.316 -18.985 1.00 1.00 O ATOM 336 ND2 ASN A 22 -8.988 0.192 -17.483 1.00 1.00 N ATOM 0 H ASN A 22 -5.967 2.015 -18.969 1.00 1.00 H new ATOM 0 HA ASN A 22 -4.737 1.046 -16.491 1.00 1.00 H new ATOM 0 HB2 ASN A 22 -7.061 0.348 -15.950 1.00 1.00 H new ATOM 0 HB3 ASN A 22 -6.970 2.057 -16.324 1.00 1.00 H new ATOM 0 HD21 ASN A 22 -9.739 0.014 -18.150 1.00 1.00 H new ATOM 0 HD22 ASN A 22 -9.064 -0.152 -16.526 1.00 1.00 H new ATOM 343 N ASP A 23 -4.167 -0.868 -18.360 1.00 1.00 N ATOM 344 CA ASP A 23 -3.944 -2.163 -18.981 1.00 1.00 C ATOM 345 C ASP A 23 -3.068 -3.020 -18.064 1.00 1.00 C ATOM 346 O ASP A 23 -3.536 -4.008 -17.500 1.00 1.00 O ATOM 347 CB ASP A 23 -3.219 -2.013 -20.321 1.00 1.00 C ATOM 348 CG ASP A 23 -2.618 -3.305 -20.879 1.00 1.00 C ATOM 349 OD1 ASP A 23 -3.412 -4.128 -21.383 1.00 1.00 O ATOM 350 OD2 ASP A 23 -1.379 -3.438 -20.790 1.00 1.00 O ATOM 0 H ASP A 23 -3.362 -0.242 -18.377 1.00 1.00 H new ATOM 0 HA ASP A 23 -4.915 -2.630 -19.145 1.00 1.00 H new ATOM 0 HB2 ASP A 23 -3.919 -1.610 -21.053 1.00 1.00 H new ATOM 0 HB3 ASP A 23 -2.421 -1.279 -20.205 1.00 1.00 H new ATOM 355 N TYR A 24 -1.814 -2.610 -17.943 1.00 1.00 N ATOM 356 CA TYR A 24 -0.885 -3.295 -17.061 1.00 1.00 C ATOM 357 C TYR A 24 -1.270 -3.090 -15.595 1.00 1.00 C ATOM 358 O TYR A 24 -0.965 -3.928 -14.746 1.00 1.00 O ATOM 359 CB TYR A 24 0.483 -2.656 -17.312 1.00 1.00 C ATOM 360 CG TYR A 24 0.999 -2.833 -18.740 1.00 1.00 C ATOM 361 CD1 TYR A 24 1.444 -4.067 -19.166 1.00 1.00 C ATOM 362 CD2 TYR A 24 1.021 -1.756 -19.604 1.00 1.00 C ATOM 363 CE1 TYR A 24 1.931 -4.234 -20.512 1.00 1.00 C ATOM 364 CE2 TYR A 24 1.506 -1.922 -20.950 1.00 1.00 C ATOM 365 CZ TYR A 24 1.937 -3.152 -21.337 1.00 1.00 C ATOM 366 OH TYR A 24 2.397 -3.309 -22.608 1.00 1.00 O ATOM 0 H TYR A 24 -1.420 -1.812 -18.441 1.00 1.00 H new ATOM 0 HA TYR A 24 -0.888 -4.367 -17.257 1.00 1.00 H new ATOM 0 HB2 TYR A 24 0.422 -1.591 -17.088 1.00 1.00 H new ATOM 0 HB3 TYR A 24 1.206 -3.086 -16.619 1.00 1.00 H new ATOM 0 HD1 TYR A 24 1.427 -4.909 -18.490 1.00 1.00 H new ATOM 0 HD2 TYR A 24 0.674 -0.789 -19.270 1.00 1.00 H new ATOM 0 HE1 TYR A 24 2.283 -5.195 -20.858 1.00 1.00 H new ATOM 0 HE2 TYR A 24 1.527 -1.088 -21.636 1.00 1.00 H new ATOM 0 HH TYR A 24 2.342 -2.454 -23.084 1.00 1.00 H new ATOM 376 N CYS A 25 -1.933 -1.972 -15.340 1.00 1.00 N ATOM 377 CA CYS A 25 -2.520 -1.731 -14.033 1.00 1.00 C ATOM 378 C CYS A 25 -3.481 -2.879 -13.719 1.00 1.00 C ATOM 379 O CYS A 25 -3.313 -3.578 -12.721 1.00 1.00 O ATOM 380 CB CYS A 25 -3.215 -0.369 -13.968 1.00 1.00 C ATOM 381 SG CYS A 25 -3.969 0.030 -12.349 1.00 1.00 S ATOM 0 H CYS A 25 -2.077 -1.222 -16.017 1.00 1.00 H new ATOM 0 HA CYS A 25 -1.734 -1.700 -13.278 1.00 1.00 H new ATOM 0 HB2 CYS A 25 -2.490 0.406 -14.216 1.00 1.00 H new ATOM 0 HB3 CYS A 25 -3.991 -0.336 -14.733 1.00 1.00 H new ATOM 386 N LEU A 26 -4.467 -3.036 -14.589 1.00 1.00 N ATOM 387 CA LEU A 26 -5.511 -4.023 -14.367 1.00 1.00 C ATOM 388 C LEU A 26 -4.872 -5.400 -14.173 1.00 1.00 C ATOM 389 O LEU A 26 -5.248 -6.141 -13.265 1.00 1.00 O ATOM 390 CB LEU A 26 -6.542 -3.977 -15.496 1.00 1.00 C ATOM 391 CG LEU A 26 -8.010 -3.990 -15.065 1.00 1.00 C ATOM 392 CD1 LEU A 26 -8.934 -3.740 -16.258 1.00 1.00 C ATOM 393 CD2 LEU A 26 -8.355 -5.290 -14.336 1.00 1.00 C ATOM 0 H LEU A 26 -4.566 -2.497 -15.449 1.00 1.00 H new ATOM 0 HA LEU A 26 -6.062 -3.795 -13.455 1.00 1.00 H new ATOM 0 HB2 LEU A 26 -6.365 -3.078 -16.086 1.00 1.00 H new ATOM 0 HB3 LEU A 26 -6.370 -4.829 -16.154 1.00 1.00 H new ATOM 0 HG LEU A 26 -8.166 -3.173 -14.360 1.00 1.00 H new ATOM 0 HD11 LEU A 26 -9.971 -3.754 -15.924 1.00 1.00 H new ATOM 0 HD12 LEU A 26 -8.707 -2.768 -16.696 1.00 1.00 H new ATOM 0 HD13 LEU A 26 -8.783 -4.519 -17.005 1.00 1.00 H new ATOM 0 HD21 LEU A 26 -9.404 -5.274 -14.040 1.00 1.00 H new ATOM 0 HD22 LEU A 26 -8.178 -6.137 -14.999 1.00 1.00 H new ATOM 0 HD23 LEU A 26 -7.729 -5.387 -13.449 1.00 1.00 H new ATOM 405 N ARG A 27 -3.917 -5.701 -15.040 1.00 1.00 N ATOM 406 CA ARG A 27 -3.275 -7.004 -15.024 1.00 1.00 C ATOM 407 C ARG A 27 -2.621 -7.256 -13.664 1.00 1.00 C ATOM 408 O ARG A 27 -2.924 -8.245 -12.998 1.00 1.00 O ATOM 409 CB ARG A 27 -2.213 -7.109 -16.119 1.00 1.00 C ATOM 410 CG ARG A 27 -2.851 -7.425 -17.474 1.00 1.00 C ATOM 411 CD ARG A 27 -1.904 -8.249 -18.348 1.00 1.00 C ATOM 412 NE ARG A 27 -2.220 -8.035 -19.778 1.00 1.00 N ATOM 413 CZ ARG A 27 -2.015 -6.881 -20.428 1.00 1.00 C ATOM 414 NH1 ARG A 27 -1.165 -5.973 -19.928 1.00 1.00 N ATOM 415 NH2 ARG A 27 -2.659 -6.636 -21.577 1.00 1.00 N ATOM 0 H ARG A 27 -3.572 -5.065 -15.759 1.00 1.00 H new ATOM 0 HA ARG A 27 -4.044 -7.754 -15.207 1.00 1.00 H new ATOM 0 HB2 ARG A 27 -1.659 -6.173 -16.184 1.00 1.00 H new ATOM 0 HB3 ARG A 27 -1.495 -7.887 -15.861 1.00 1.00 H new ATOM 0 HG2 ARG A 27 -3.781 -7.973 -17.323 1.00 1.00 H new ATOM 0 HG3 ARG A 27 -3.107 -6.497 -17.984 1.00 1.00 H new ATOM 0 HD2 ARG A 27 -0.871 -7.964 -18.149 1.00 1.00 H new ATOM 0 HD3 ARG A 27 -1.996 -9.307 -18.101 1.00 1.00 H new ATOM 0 HE ARG A 27 -2.619 -8.814 -20.301 1.00 1.00 H new ATOM 0 HH11 ARG A 27 -0.675 -6.161 -19.053 1.00 1.00 H new ATOM 0 HH12 ARG A 27 -1.008 -5.095 -20.422 1.00 1.00 H new ATOM 0 HH21 ARG A 27 -3.305 -7.328 -21.957 1.00 1.00 H new ATOM 0 HH22 ARG A 27 -2.503 -5.758 -22.072 1.00 1.00 H new ATOM 429 N GLU A 28 -1.737 -6.343 -13.290 1.00 1.00 N ATOM 430 CA GLU A 28 -0.947 -6.517 -12.083 1.00 1.00 C ATOM 431 C GLU A 28 -1.855 -6.525 -10.851 1.00 1.00 C ATOM 432 O GLU A 28 -1.643 -7.305 -9.924 1.00 1.00 O ATOM 433 CB GLU A 28 0.124 -5.430 -11.968 1.00 1.00 C ATOM 434 CG GLU A 28 1.284 -5.698 -12.930 1.00 1.00 C ATOM 435 CD GLU A 28 2.172 -6.832 -12.415 1.00 1.00 C ATOM 436 OE1 GLU A 28 2.974 -6.553 -11.497 1.00 1.00 O ATOM 437 OE2 GLU A 28 2.031 -7.953 -12.950 1.00 1.00 O ATOM 0 H GLU A 28 -1.550 -5.480 -13.801 1.00 1.00 H new ATOM 0 HA GLU A 28 -0.437 -7.479 -12.141 1.00 1.00 H new ATOM 0 HB2 GLU A 28 -0.316 -4.457 -12.186 1.00 1.00 H new ATOM 0 HB3 GLU A 28 0.498 -5.389 -10.945 1.00 1.00 H new ATOM 0 HG2 GLU A 28 0.893 -5.956 -13.914 1.00 1.00 H new ATOM 0 HG3 GLU A 28 1.878 -4.792 -13.050 1.00 1.00 H new ATOM 444 N CYS A 29 -2.847 -5.647 -10.882 1.00 1.00 N ATOM 445 CA CYS A 29 -3.834 -5.597 -9.817 1.00 1.00 C ATOM 446 C CYS A 29 -4.434 -6.995 -9.651 1.00 1.00 C ATOM 447 O CYS A 29 -4.449 -7.540 -8.549 1.00 1.00 O ATOM 448 CB CYS A 29 -4.909 -4.544 -10.092 1.00 1.00 C ATOM 449 SG CYS A 29 -5.826 -3.978 -8.612 1.00 1.00 S ATOM 0 H CYS A 29 -2.988 -4.965 -11.627 1.00 1.00 H new ATOM 0 HA CYS A 29 -3.353 -5.297 -8.886 1.00 1.00 H new ATOM 0 HB2 CYS A 29 -4.440 -3.681 -10.563 1.00 1.00 H new ATOM 0 HB3 CYS A 29 -5.621 -4.951 -10.810 1.00 1.00 H new ATOM 454 N LYS A 30 -4.912 -7.534 -10.763 1.00 1.00 N ATOM 455 CA LYS A 30 -5.723 -8.740 -10.722 1.00 1.00 C ATOM 456 C LYS A 30 -4.849 -9.921 -10.296 1.00 1.00 C ATOM 457 O LYS A 30 -5.254 -10.728 -9.461 1.00 1.00 O ATOM 458 CB LYS A 30 -6.436 -8.953 -12.058 1.00 1.00 C ATOM 459 CG LYS A 30 -7.816 -9.579 -11.849 1.00 1.00 C ATOM 460 CD LYS A 30 -8.607 -9.610 -13.158 1.00 1.00 C ATOM 461 CE LYS A 30 -10.092 -9.877 -12.896 1.00 1.00 C ATOM 462 NZ LYS A 30 -10.285 -11.247 -12.368 1.00 1.00 N ATOM 0 H LYS A 30 -4.754 -7.158 -11.698 1.00 1.00 H new ATOM 0 HA LYS A 30 -6.514 -8.642 -9.978 1.00 1.00 H new ATOM 0 HB2 LYS A 30 -6.540 -7.999 -12.575 1.00 1.00 H new ATOM 0 HB3 LYS A 30 -5.833 -9.598 -12.697 1.00 1.00 H new ATOM 0 HG2 LYS A 30 -7.705 -10.592 -11.463 1.00 1.00 H new ATOM 0 HG3 LYS A 30 -8.367 -9.011 -11.100 1.00 1.00 H new ATOM 0 HD2 LYS A 30 -8.491 -8.660 -13.680 1.00 1.00 H new ATOM 0 HD3 LYS A 30 -8.205 -10.384 -13.812 1.00 1.00 H new ATOM 0 HE2 LYS A 30 -10.479 -9.148 -12.184 1.00 1.00 H new ATOM 0 HE3 LYS A 30 -10.659 -9.753 -13.819 1.00 1.00 H new ATOM 0 HZ1 LYS A 30 -11.295 -11.407 -12.179 1.00 1.00 H new ATOM 0 HZ2 LYS A 30 -9.949 -11.939 -13.068 1.00 1.00 H new ATOM 0 HZ3 LYS A 30 -9.746 -11.358 -11.485 1.00 1.00 H new ATOM 476 N GLN A 31 -3.666 -9.985 -10.888 1.00 1.00 N ATOM 477 CA GLN A 31 -2.767 -11.102 -10.648 1.00 1.00 C ATOM 478 C GLN A 31 -1.589 -10.657 -9.778 1.00 1.00 C ATOM 479 O GLN A 31 -0.436 -10.941 -10.098 1.00 1.00 O ATOM 480 CB GLN A 31 -2.279 -11.706 -11.965 1.00 1.00 C ATOM 481 CG GLN A 31 -3.454 -12.200 -12.812 1.00 1.00 C ATOM 482 CD GLN A 31 -2.965 -12.826 -14.119 1.00 1.00 C ATOM 483 OE1 GLN A 31 -2.915 -14.034 -14.279 1.00 1.00 O ATOM 484 NE2 GLN A 31 -2.605 -11.939 -15.042 1.00 1.00 N ATOM 0 H GLN A 31 -3.308 -9.281 -11.534 1.00 1.00 H new ATOM 0 HA GLN A 31 -3.316 -11.877 -10.113 1.00 1.00 H new ATOM 0 HB2 GLN A 31 -1.712 -10.961 -12.523 1.00 1.00 H new ATOM 0 HB3 GLN A 31 -1.601 -12.534 -11.760 1.00 1.00 H new ATOM 0 HG2 GLN A 31 -4.031 -12.933 -12.248 1.00 1.00 H new ATOM 0 HG3 GLN A 31 -4.123 -11.368 -13.032 1.00 1.00 H new ATOM 0 HE21 GLN A 31 -2.672 -10.941 -14.843 1.00 1.00 H new ATOM 0 HE22 GLN A 31 -2.262 -12.257 -15.949 1.00 1.00 H new ATOM 493 N GLN A 32 -1.920 -9.968 -8.696 1.00 1.00 N ATOM 494 CA GLN A 32 -0.998 -9.836 -7.582 1.00 1.00 C ATOM 495 C GLN A 32 -1.722 -9.270 -6.358 1.00 1.00 C ATOM 496 O GLN A 32 -1.404 -9.626 -5.225 1.00 1.00 O ATOM 497 CB GLN A 32 0.200 -8.964 -7.962 1.00 1.00 C ATOM 498 CG GLN A 32 0.046 -7.548 -7.402 1.00 1.00 C ATOM 499 CD GLN A 32 0.510 -7.481 -5.945 1.00 1.00 C ATOM 500 OE1 GLN A 32 1.003 -8.443 -5.378 1.00 1.00 O ATOM 501 NE2 GLN A 32 0.324 -6.295 -5.372 1.00 1.00 N ATOM 0 H GLN A 32 -2.815 -9.495 -8.567 1.00 1.00 H new ATOM 0 HA GLN A 32 -0.619 -10.826 -7.330 1.00 1.00 H new ATOM 0 HB2 GLN A 32 1.117 -9.413 -7.580 1.00 1.00 H new ATOM 0 HB3 GLN A 32 0.294 -8.922 -9.047 1.00 1.00 H new ATOM 0 HG2 GLN A 32 0.627 -6.850 -8.005 1.00 1.00 H new ATOM 0 HG3 GLN A 32 -0.997 -7.238 -7.470 1.00 1.00 H new ATOM 0 HE21 GLN A 32 -0.094 -5.532 -5.904 1.00 1.00 H new ATOM 0 HE22 GLN A 32 0.600 -6.149 -4.401 1.00 1.00 H new ATOM 510 N TYR A 33 -2.683 -8.399 -6.629 1.00 1.00 N ATOM 511 CA TYR A 33 -3.558 -7.901 -5.581 1.00 1.00 C ATOM 512 C TYR A 33 -5.015 -8.276 -5.859 1.00 1.00 C ATOM 513 O TYR A 33 -5.922 -7.482 -5.612 1.00 1.00 O ATOM 514 CB TYR A 33 -3.421 -6.377 -5.608 1.00 1.00 C ATOM 515 CG TYR A 33 -2.949 -5.771 -4.284 1.00 1.00 C ATOM 516 CD1 TYR A 33 -1.995 -6.421 -3.530 1.00 1.00 C ATOM 517 CD2 TYR A 33 -3.478 -4.574 -3.846 1.00 1.00 C ATOM 518 CE1 TYR A 33 -1.550 -5.851 -2.284 1.00 1.00 C ATOM 519 CE2 TYR A 33 -3.033 -4.004 -2.600 1.00 1.00 C ATOM 520 CZ TYR A 33 -2.090 -4.671 -1.882 1.00 1.00 C ATOM 521 OH TYR A 33 -1.670 -4.132 -0.705 1.00 1.00 O ATOM 0 H TYR A 33 -2.875 -8.026 -7.559 1.00 1.00 H new ATOM 0 HA TYR A 33 -3.285 -8.329 -4.616 1.00 1.00 H new ATOM 0 HB2 TYR A 33 -2.718 -6.099 -6.394 1.00 1.00 H new ATOM 0 HB3 TYR A 33 -4.384 -5.940 -5.873 1.00 1.00 H new ATOM 0 HD1 TYR A 33 -1.581 -7.358 -3.874 1.00 1.00 H new ATOM 0 HD2 TYR A 33 -4.225 -4.065 -4.437 1.00 1.00 H new ATOM 0 HE1 TYR A 33 -0.804 -6.350 -1.683 1.00 1.00 H new ATOM 0 HE2 TYR A 33 -3.439 -3.069 -2.244 1.00 1.00 H new ATOM 0 HH TYR A 33 -1.415 -3.196 -0.846 1.00 1.00 H new ATOM 531 N GLY A 34 -5.194 -9.485 -6.370 1.00 1.00 N ATOM 532 CA GLY A 34 -6.386 -10.258 -6.063 1.00 1.00 C ATOM 533 C GLY A 34 -7.188 -10.555 -7.331 1.00 1.00 C ATOM 534 O GLY A 34 -7.434 -9.660 -8.139 1.00 1.00 O ATOM 0 H GLY A 34 -4.534 -9.948 -6.994 1.00 1.00 H new ATOM 0 HA2 GLY A 34 -6.103 -11.193 -5.580 1.00 1.00 H new ATOM 0 HA3 GLY A 34 -7.008 -9.709 -5.355 1.00 1.00 H new ATOM 538 N LYS A 35 -7.574 -11.815 -7.467 1.00 1.00 N ATOM 539 CA LYS A 35 -8.073 -12.312 -8.738 1.00 1.00 C ATOM 540 C LYS A 35 -9.545 -11.922 -8.890 1.00 1.00 C ATOM 541 O LYS A 35 -10.416 -12.788 -8.961 1.00 1.00 O ATOM 542 CB LYS A 35 -7.819 -13.815 -8.863 1.00 1.00 C ATOM 543 CG LYS A 35 -6.320 -14.120 -8.861 1.00 1.00 C ATOM 544 CD LYS A 35 -6.055 -15.573 -9.260 1.00 1.00 C ATOM 545 CE LYS A 35 -6.495 -16.534 -8.155 1.00 1.00 C ATOM 546 NZ LYS A 35 -6.078 -17.918 -8.475 1.00 1.00 N ATOM 0 H LYS A 35 -7.551 -12.507 -6.718 1.00 1.00 H new ATOM 0 HA LYS A 35 -7.533 -11.852 -9.566 1.00 1.00 H new ATOM 0 HB2 LYS A 35 -8.301 -14.339 -8.038 1.00 1.00 H new ATOM 0 HB3 LYS A 35 -8.268 -14.188 -9.783 1.00 1.00 H new ATOM 0 HG2 LYS A 35 -5.808 -13.450 -9.552 1.00 1.00 H new ATOM 0 HG3 LYS A 35 -5.908 -13.931 -7.870 1.00 1.00 H new ATOM 0 HD2 LYS A 35 -6.589 -15.804 -10.182 1.00 1.00 H new ATOM 0 HD3 LYS A 35 -4.993 -15.710 -9.464 1.00 1.00 H new ATOM 0 HE2 LYS A 35 -6.060 -16.228 -7.204 1.00 1.00 H new ATOM 0 HE3 LYS A 35 -7.578 -16.492 -8.038 1.00 1.00 H new ATOM 0 HZ1 LYS A 35 -6.385 -18.558 -7.714 1.00 1.00 H new ATOM 0 HZ2 LYS A 35 -6.513 -18.213 -9.372 1.00 1.00 H new ATOM 0 HZ3 LYS A 35 -5.043 -17.957 -8.564 1.00 1.00 H new ATOM 560 N GLY A 36 -9.778 -10.619 -8.934 1.00 1.00 N ATOM 561 CA GLY A 36 -11.135 -10.101 -8.952 1.00 1.00 C ATOM 562 C GLY A 36 -11.138 -8.571 -8.969 1.00 1.00 C ATOM 563 O GLY A 36 -11.914 -7.956 -9.699 1.00 1.00 O ATOM 0 H GLY A 36 -9.049 -9.906 -8.958 1.00 1.00 H new ATOM 0 HA2 GLY A 36 -11.661 -10.479 -9.829 1.00 1.00 H new ATOM 0 HA3 GLY A 36 -11.677 -10.460 -8.077 1.00 1.00 H new ATOM 567 N ALA A 37 -10.261 -8.000 -8.156 1.00 1.00 N ATOM 568 CA ALA A 37 -10.216 -6.556 -8.000 1.00 1.00 C ATOM 569 C ALA A 37 -9.795 -5.917 -9.325 1.00 1.00 C ATOM 570 O ALA A 37 -9.279 -6.597 -10.210 1.00 1.00 O ATOM 571 CB ALA A 37 -9.269 -6.196 -6.853 1.00 1.00 C ATOM 0 H ALA A 37 -9.576 -8.511 -7.599 1.00 1.00 H new ATOM 0 HA ALA A 37 -11.202 -6.167 -7.744 1.00 1.00 H new ATOM 0 HB1 ALA A 37 -9.235 -5.113 -6.736 1.00 1.00 H new ATOM 0 HB2 ALA A 37 -9.627 -6.650 -5.929 1.00 1.00 H new ATOM 0 HB3 ALA A 37 -8.269 -6.568 -7.076 1.00 1.00 H new ATOM 577 N GLY A 38 -10.032 -4.617 -9.421 1.00 1.00 N ATOM 578 CA GLY A 38 -9.609 -3.863 -10.588 1.00 1.00 C ATOM 579 C GLY A 38 -8.933 -2.552 -10.179 1.00 1.00 C ATOM 580 O GLY A 38 -8.661 -2.332 -9.000 1.00 1.00 O ATOM 0 H GLY A 38 -10.512 -4.067 -8.709 1.00 1.00 H new ATOM 0 HA2 GLY A 38 -8.919 -4.462 -11.182 1.00 1.00 H new ATOM 0 HA3 GLY A 38 -10.471 -3.650 -11.220 1.00 1.00 H new ATOM 584 N GLY A 39 -8.682 -1.717 -11.176 1.00 1.00 N ATOM 585 CA GLY A 39 -7.793 -0.582 -10.996 1.00 1.00 C ATOM 586 C GLY A 39 -7.563 0.150 -12.319 1.00 1.00 C ATOM 587 O GLY A 39 -7.981 -0.322 -13.375 1.00 1.00 O ATOM 0 H GLY A 39 -9.079 -1.804 -12.112 1.00 1.00 H new ATOM 0 HA2 GLY A 39 -8.219 0.106 -10.265 1.00 1.00 H new ATOM 0 HA3 GLY A 39 -6.839 -0.923 -10.594 1.00 1.00 H new ATOM 591 N TYR A 40 -6.899 1.293 -12.218 1.00 1.00 N ATOM 592 CA TYR A 40 -6.506 2.037 -13.403 1.00 1.00 C ATOM 593 C TYR A 40 -5.330 2.967 -13.101 1.00 1.00 C ATOM 594 O TYR A 40 -4.986 3.182 -11.940 1.00 1.00 O ATOM 595 CB TYR A 40 -7.721 2.880 -13.794 1.00 1.00 C ATOM 596 CG TYR A 40 -8.604 3.285 -12.612 1.00 1.00 C ATOM 597 CD1 TYR A 40 -8.141 4.199 -11.686 1.00 1.00 C ATOM 598 CD2 TYR A 40 -9.862 2.737 -12.471 1.00 1.00 C ATOM 599 CE1 TYR A 40 -8.973 4.579 -10.574 1.00 1.00 C ATOM 600 CE2 TYR A 40 -10.694 3.118 -11.359 1.00 1.00 C ATOM 601 CZ TYR A 40 -10.208 4.020 -10.465 1.00 1.00 C ATOM 602 OH TYR A 40 -10.993 4.381 -9.414 1.00 1.00 O ATOM 0 H TYR A 40 -6.624 1.721 -11.334 1.00 1.00 H new ATOM 0 HA TYR A 40 -6.196 1.358 -14.197 1.00 1.00 H new ATOM 0 HB2 TYR A 40 -7.377 3.781 -14.303 1.00 1.00 H new ATOM 0 HB3 TYR A 40 -8.324 2.320 -14.509 1.00 1.00 H new ATOM 0 HD1 TYR A 40 -7.156 4.628 -11.796 1.00 1.00 H new ATOM 0 HD2 TYR A 40 -10.223 2.022 -13.195 1.00 1.00 H new ATOM 0 HE1 TYR A 40 -8.624 5.293 -9.842 1.00 1.00 H new ATOM 0 HE2 TYR A 40 -11.681 2.697 -11.238 1.00 1.00 H new ATOM 0 HH TYR A 40 -11.847 3.904 -9.465 1.00 1.00 H new ATOM 612 N CYS A 41 -4.744 3.494 -14.166 1.00 1.00 N ATOM 613 CA CYS A 41 -3.636 4.423 -14.028 1.00 1.00 C ATOM 614 C CYS A 41 -4.205 5.810 -13.724 1.00 1.00 C ATOM 615 O CYS A 41 -4.654 6.512 -14.628 1.00 1.00 O ATOM 616 CB CYS A 41 -2.747 4.431 -15.274 1.00 1.00 C ATOM 617 SG CYS A 41 -1.450 3.141 -15.301 1.00 1.00 S ATOM 0 H CYS A 41 -5.016 3.295 -15.129 1.00 1.00 H new ATOM 0 HA CYS A 41 -2.994 4.108 -13.205 1.00 1.00 H new ATOM 0 HB2 CYS A 41 -3.378 4.310 -16.154 1.00 1.00 H new ATOM 0 HB3 CYS A 41 -2.270 5.408 -15.356 1.00 1.00 H new ATOM 622 N TYR A 42 -4.169 6.162 -12.447 1.00 1.00 N ATOM 623 CA TYR A 42 -4.477 7.521 -12.036 1.00 1.00 C ATOM 624 C TYR A 42 -3.265 8.437 -12.217 1.00 1.00 C ATOM 625 O TYR A 42 -2.366 8.136 -13.001 1.00 1.00 O ATOM 626 CB TYR A 42 -4.826 7.443 -10.549 1.00 1.00 C ATOM 627 CG TYR A 42 -6.206 8.009 -10.204 1.00 1.00 C ATOM 628 CD1 TYR A 42 -7.309 7.639 -10.945 1.00 1.00 C ATOM 629 CD2 TYR A 42 -6.346 8.890 -9.151 1.00 1.00 C ATOM 630 CE1 TYR A 42 -8.607 8.170 -10.620 1.00 1.00 C ATOM 631 CE2 TYR A 42 -7.644 9.422 -8.825 1.00 1.00 C ATOM 632 CZ TYR A 42 -8.710 9.036 -9.576 1.00 1.00 C ATOM 633 OH TYR A 42 -9.936 9.539 -9.268 1.00 1.00 O ATOM 0 H TYR A 42 -3.931 5.529 -11.683 1.00 1.00 H new ATOM 0 HA TYR A 42 -5.291 7.928 -12.635 1.00 1.00 H new ATOM 0 HB2 TYR A 42 -4.781 6.402 -10.230 1.00 1.00 H new ATOM 0 HB3 TYR A 42 -4.070 7.984 -9.980 1.00 1.00 H new ATOM 0 HD1 TYR A 42 -7.199 6.950 -11.770 1.00 1.00 H new ATOM 0 HD2 TYR A 42 -5.482 9.180 -8.571 1.00 1.00 H new ATOM 0 HE1 TYR A 42 -9.479 7.887 -11.192 1.00 1.00 H new ATOM 0 HE2 TYR A 42 -7.768 10.112 -8.003 1.00 1.00 H new ATOM 0 HH TYR A 42 -9.858 10.143 -8.500 1.00 1.00 H new ATOM 643 N ALA A 43 -3.279 9.536 -11.478 1.00 1.00 N ATOM 644 CA ALA A 43 -2.098 10.375 -11.360 1.00 1.00 C ATOM 645 C ALA A 43 -0.905 9.513 -10.940 1.00 1.00 C ATOM 646 O ALA A 43 -0.572 9.444 -9.758 1.00 1.00 O ATOM 647 CB ALA A 43 -2.373 11.510 -10.373 1.00 1.00 C ATOM 0 H ALA A 43 -4.090 9.866 -10.954 1.00 1.00 H new ATOM 0 HA ALA A 43 -1.854 10.831 -12.320 1.00 1.00 H new ATOM 0 HB1 ALA A 43 -1.487 12.139 -10.285 1.00 1.00 H new ATOM 0 HB2 ALA A 43 -3.209 12.110 -10.732 1.00 1.00 H new ATOM 0 HB3 ALA A 43 -2.619 11.092 -9.397 1.00 1.00 H new ATOM 653 N PHE A 44 -0.298 8.877 -11.930 1.00 1.00 N ATOM 654 CA PHE A 44 1.008 8.266 -11.737 1.00 1.00 C ATOM 655 C PHE A 44 1.018 7.377 -10.493 1.00 1.00 C ATOM 656 O PHE A 44 1.875 7.531 -9.623 1.00 1.00 O ATOM 657 CB PHE A 44 2.011 9.406 -11.545 1.00 1.00 C ATOM 658 CG PHE A 44 1.976 10.459 -12.654 1.00 1.00 C ATOM 659 CD1 PHE A 44 2.562 10.203 -13.854 1.00 1.00 C ATOM 660 CD2 PHE A 44 1.360 11.652 -12.439 1.00 1.00 C ATOM 661 CE1 PHE A 44 2.530 11.181 -14.883 1.00 1.00 C ATOM 662 CE2 PHE A 44 1.328 12.630 -13.468 1.00 1.00 C ATOM 663 CZ PHE A 44 1.914 12.373 -14.668 1.00 1.00 C ATOM 0 H PHE A 44 -0.685 8.771 -12.868 1.00 1.00 H new ATOM 0 HA PHE A 44 1.259 7.644 -12.596 1.00 1.00 H new ATOM 0 HB2 PHE A 44 1.814 9.893 -10.590 1.00 1.00 H new ATOM 0 HB3 PHE A 44 3.015 8.987 -11.488 1.00 1.00 H new ATOM 0 HD1 PHE A 44 3.052 9.256 -14.025 1.00 1.00 H new ATOM 0 HD2 PHE A 44 0.895 11.856 -11.486 1.00 1.00 H new ATOM 0 HE1 PHE A 44 2.995 10.978 -15.836 1.00 1.00 H new ATOM 0 HE2 PHE A 44 0.839 13.578 -13.298 1.00 1.00 H new ATOM 0 HZ PHE A 44 1.890 13.117 -15.451 1.00 1.00 H new ATOM 673 N ALA A 45 0.057 6.467 -10.447 1.00 1.00 N ATOM 674 CA ALA A 45 0.369 5.056 -10.292 1.00 1.00 C ATOM 675 C ALA A 45 -0.921 4.239 -10.389 1.00 1.00 C ATOM 676 O ALA A 45 -2.010 4.801 -10.487 1.00 1.00 O ATOM 677 CB ALA A 45 1.100 4.837 -8.966 1.00 1.00 C ATOM 0 H ALA A 45 -0.938 6.679 -10.514 1.00 1.00 H new ATOM 0 HA ALA A 45 1.032 4.720 -11.089 1.00 1.00 H new ATOM 0 HB1 ALA A 45 1.334 3.779 -8.850 1.00 1.00 H new ATOM 0 HB2 ALA A 45 2.024 5.416 -8.960 1.00 1.00 H new ATOM 0 HB3 ALA A 45 0.464 5.160 -8.142 1.00 1.00 H new ATOM 683 N CYS A 46 -0.755 2.924 -10.360 1.00 1.00 N ATOM 684 CA CYS A 46 -1.883 2.024 -10.527 1.00 1.00 C ATOM 685 C CYS A 46 -2.782 2.147 -9.295 1.00 1.00 C ATOM 686 O CYS A 46 -2.479 1.584 -8.243 1.00 1.00 O ATOM 687 CB CYS A 46 -1.425 0.582 -10.758 1.00 1.00 C ATOM 688 SG CYS A 46 -2.781 -0.639 -10.898 1.00 1.00 S ATOM 0 H CYS A 46 0.144 2.461 -10.223 1.00 1.00 H new ATOM 0 HA CYS A 46 -2.447 2.304 -11.416 1.00 1.00 H new ATOM 0 HB2 CYS A 46 -0.827 0.547 -11.669 1.00 1.00 H new ATOM 0 HB3 CYS A 46 -0.772 0.287 -9.937 1.00 1.00 H new ATOM 693 N TRP A 47 -3.868 2.885 -9.466 1.00 1.00 N ATOM 694 CA TRP A 47 -4.861 3.011 -8.412 1.00 1.00 C ATOM 695 C TRP A 47 -5.810 1.815 -8.513 1.00 1.00 C ATOM 696 O TRP A 47 -6.515 1.659 -9.509 1.00 1.00 O ATOM 697 CB TRP A 47 -5.584 4.356 -8.498 1.00 1.00 C ATOM 698 CG TRP A 47 -6.701 4.529 -7.465 1.00 1.00 C ATOM 699 CD1 TRP A 47 -7.901 3.936 -7.441 1.00 1.00 C ATOM 700 CD2 TRP A 47 -6.670 5.382 -6.301 1.00 1.00 C ATOM 701 NE1 TRP A 47 -8.644 4.341 -6.351 1.00 1.00 N ATOM 702 CE2 TRP A 47 -7.871 5.248 -5.636 1.00 1.00 C ATOM 703 CE3 TRP A 47 -5.661 6.237 -5.826 1.00 1.00 C ATOM 704 CZ2 TRP A 47 -8.177 5.940 -4.457 1.00 1.00 C ATOM 705 CZ3 TRP A 47 -5.982 6.921 -4.647 1.00 1.00 C ATOM 706 CH2 TRP A 47 -7.186 6.798 -3.966 1.00 1.00 C ATOM 0 H TRP A 47 -4.083 3.402 -10.318 1.00 1.00 H new ATOM 0 HA TRP A 47 -4.386 2.998 -7.431 1.00 1.00 H new ATOM 0 HB2 TRP A 47 -4.856 5.157 -8.369 1.00 1.00 H new ATOM 0 HB3 TRP A 47 -6.006 4.467 -9.497 1.00 1.00 H new ATOM 0 HD1 TRP A 47 -8.245 3.229 -8.182 1.00 1.00 H new ATOM 0 HE1 TRP A 47 -9.587 4.032 -6.114 1.00 1.00 H new ATOM 0 HE3 TRP A 47 -4.713 6.357 -6.330 1.00 1.00 H new ATOM 0 HZ2 TRP A 47 -9.125 5.818 -3.955 1.00 1.00 H new ATOM 0 HZ3 TRP A 47 -5.241 7.592 -4.238 1.00 1.00 H new ATOM 0 HH2 TRP A 47 -7.357 7.362 -3.061 1.00 1.00 H new ATOM 717 N CYS A 48 -5.798 1.001 -7.468 1.00 1.00 N ATOM 718 CA CYS A 48 -6.631 -0.190 -7.436 1.00 1.00 C ATOM 719 C CYS A 48 -7.799 0.066 -6.482 1.00 1.00 C ATOM 720 O CYS A 48 -7.633 0.715 -5.451 1.00 1.00 O ATOM 721 CB CYS A 48 -5.830 -1.430 -7.038 1.00 1.00 C ATOM 722 SG CYS A 48 -4.826 -2.160 -8.382 1.00 1.00 S ATOM 0 H CYS A 48 -5.224 1.142 -6.636 1.00 1.00 H new ATOM 0 HA CYS A 48 -7.017 -0.393 -8.435 1.00 1.00 H new ATOM 0 HB2 CYS A 48 -5.169 -1.168 -6.211 1.00 1.00 H new ATOM 0 HB3 CYS A 48 -6.520 -2.187 -6.667 1.00 1.00 H new ATOM 727 N THR A 49 -8.956 -0.457 -6.861 1.00 1.00 N ATOM 728 CA THR A 49 -10.215 0.081 -6.375 1.00 1.00 C ATOM 729 C THR A 49 -11.265 -1.027 -6.273 1.00 1.00 C ATOM 730 O THR A 49 -12.393 -0.864 -6.738 1.00 1.00 O ATOM 731 CB THR A 49 -10.629 1.227 -7.300 1.00 1.00 C ATOM 732 OG1 THR A 49 -11.969 1.519 -6.913 1.00 1.00 O ATOM 733 CG2 THR A 49 -10.751 0.785 -8.760 1.00 1.00 C ATOM 0 H THR A 49 -9.048 -1.248 -7.499 1.00 1.00 H new ATOM 0 HA THR A 49 -10.111 0.480 -5.366 1.00 1.00 H new ATOM 0 HB THR A 49 -9.902 2.035 -7.224 1.00 1.00 H new ATOM 0 HG1 THR A 49 -12.544 0.753 -7.121 1.00 1.00 H new ATOM 0 HG21 THR A 49 -11.047 1.635 -9.374 1.00 1.00 H new ATOM 0 HG22 THR A 49 -9.790 0.404 -9.106 1.00 1.00 H new ATOM 0 HG23 THR A 49 -11.503 -0.000 -8.841 1.00 1.00 H new ATOM 741 N HIS A 50 -10.857 -2.130 -5.663 1.00 1.00 N ATOM 742 CA HIS A 50 -11.812 -3.073 -5.103 1.00 1.00 C ATOM 743 C HIS A 50 -11.080 -4.068 -4.200 1.00 1.00 C ATOM 744 O HIS A 50 -11.100 -5.271 -4.452 1.00 1.00 O ATOM 745 CB HIS A 50 -12.615 -3.756 -6.210 1.00 1.00 C ATOM 746 CG HIS A 50 -13.659 -4.723 -5.705 1.00 1.00 C ATOM 747 ND1 HIS A 50 -14.819 -4.310 -5.073 1.00 1.00 N ATOM 748 CD2 HIS A 50 -13.707 -6.085 -5.746 1.00 1.00 C ATOM 749 CE1 HIS A 50 -15.526 -5.384 -4.752 1.00 1.00 C ATOM 750 NE2 HIS A 50 -14.833 -6.483 -5.169 1.00 1.00 N ATOM 0 H HIS A 50 -9.879 -2.392 -5.544 1.00 1.00 H new ATOM 0 HA HIS A 50 -12.536 -2.540 -4.487 1.00 1.00 H new ATOM 0 HB2 HIS A 50 -13.104 -2.992 -6.814 1.00 1.00 H new ATOM 0 HB3 HIS A 50 -11.928 -4.290 -6.867 1.00 1.00 H new ATOM 0 HD2 HIS A 50 -12.955 -6.731 -6.176 1.00 1.00 H new ATOM 0 HE1 HIS A 50 -16.482 -5.389 -4.249 1.00 1.00 H new ATOM 0 HE2 HIS A 50 -15.132 -7.452 -5.056 1.00 1.00 H new ATOM 758 N LEU A 51 -10.452 -3.529 -3.166 1.00 1.00 N ATOM 759 CA LEU A 51 -9.455 -4.279 -2.421 1.00 1.00 C ATOM 760 C LEU A 51 -10.051 -4.725 -1.084 1.00 1.00 C ATOM 761 O LEU A 51 -11.215 -4.450 -0.797 1.00 1.00 O ATOM 762 CB LEU A 51 -8.167 -3.466 -2.280 1.00 1.00 C ATOM 763 CG LEU A 51 -7.517 -3.008 -3.586 1.00 1.00 C ATOM 764 CD1 LEU A 51 -6.487 -1.906 -3.329 1.00 1.00 C ATOM 765 CD2 LEU A 51 -6.912 -4.192 -4.343 1.00 1.00 C ATOM 0 H LEU A 51 -10.614 -2.581 -2.826 1.00 1.00 H new ATOM 0 HA LEU A 51 -9.176 -5.183 -2.963 1.00 1.00 H new ATOM 0 HB2 LEU A 51 -8.381 -2.585 -1.675 1.00 1.00 H new ATOM 0 HB3 LEU A 51 -7.442 -4.063 -1.727 1.00 1.00 H new ATOM 0 HG LEU A 51 -8.293 -2.582 -4.222 1.00 1.00 H new ATOM 0 HD11 LEU A 51 -6.040 -1.598 -4.274 1.00 1.00 H new ATOM 0 HD12 LEU A 51 -6.978 -1.051 -2.864 1.00 1.00 H new ATOM 0 HD13 LEU A 51 -5.709 -2.283 -2.665 1.00 1.00 H new ATOM 0 HD21 LEU A 51 -6.456 -3.838 -5.268 1.00 1.00 H new ATOM 0 HD22 LEU A 51 -6.153 -4.670 -3.724 1.00 1.00 H new ATOM 0 HD23 LEU A 51 -7.695 -4.913 -4.577 1.00 1.00 H new ATOM 777 N TYR A 52 -9.226 -5.405 -0.302 1.00 1.00 N ATOM 778 CA TYR A 52 -9.644 -5.855 1.015 1.00 1.00 C ATOM 779 C TYR A 52 -8.959 -5.042 2.115 1.00 1.00 C ATOM 780 O TYR A 52 -8.219 -4.103 1.829 1.00 1.00 O ATOM 781 CB TYR A 52 -9.198 -7.315 1.122 1.00 1.00 C ATOM 782 CG TYR A 52 -8.111 -7.709 0.121 1.00 1.00 C ATOM 783 CD1 TYR A 52 -6.794 -7.377 0.366 1.00 1.00 C ATOM 784 CD2 TYR A 52 -8.448 -8.396 -1.028 1.00 1.00 C ATOM 785 CE1 TYR A 52 -5.771 -7.749 -0.578 1.00 1.00 C ATOM 786 CE2 TYR A 52 -7.425 -8.767 -1.971 1.00 1.00 C ATOM 787 CZ TYR A 52 -6.136 -8.425 -1.699 1.00 1.00 C ATOM 788 OH TYR A 52 -5.171 -8.776 -2.590 1.00 1.00 O ATOM 0 H TYR A 52 -8.270 -5.655 -0.555 1.00 1.00 H new ATOM 0 HA TYR A 52 -10.721 -5.737 1.138 1.00 1.00 H new ATOM 0 HB2 TYR A 52 -8.831 -7.499 2.132 1.00 1.00 H new ATOM 0 HB3 TYR A 52 -10.064 -7.960 0.975 1.00 1.00 H new ATOM 0 HD1 TYR A 52 -6.530 -6.839 1.265 1.00 1.00 H new ATOM 0 HD2 TYR A 52 -9.479 -8.655 -1.220 1.00 1.00 H new ATOM 0 HE1 TYR A 52 -4.736 -7.496 -0.399 1.00 1.00 H new ATOM 0 HE2 TYR A 52 -7.675 -9.305 -2.874 1.00 1.00 H new ATOM 0 HH TYR A 52 -5.578 -9.255 -3.342 1.00 1.00 H new ATOM 798 N GLU A 53 -9.230 -5.433 3.351 1.00 1.00 N ATOM 799 CA GLU A 53 -8.689 -4.722 4.497 1.00 1.00 C ATOM 800 C GLU A 53 -7.159 -4.711 4.439 1.00 1.00 C ATOM 801 O GLU A 53 -6.522 -3.804 4.974 1.00 1.00 O ATOM 802 CB GLU A 53 -9.182 -5.338 5.808 1.00 1.00 C ATOM 803 CG GLU A 53 -8.815 -4.454 7.001 1.00 1.00 C ATOM 804 CD GLU A 53 -9.462 -3.073 6.880 1.00 1.00 C ATOM 805 OE1 GLU A 53 -10.711 -3.028 6.882 1.00 1.00 O ATOM 806 OE2 GLU A 53 -8.692 -2.092 6.788 1.00 1.00 O ATOM 0 H GLU A 53 -9.817 -6.234 3.584 1.00 1.00 H new ATOM 0 HA GLU A 53 -9.044 -3.692 4.462 1.00 1.00 H new ATOM 0 HB2 GLU A 53 -10.263 -5.470 5.768 1.00 1.00 H new ATOM 0 HB3 GLU A 53 -8.744 -6.328 5.936 1.00 1.00 H new ATOM 0 HG2 GLU A 53 -9.139 -4.932 7.925 1.00 1.00 H new ATOM 0 HG3 GLU A 53 -7.732 -4.348 7.060 1.00 1.00 H new ATOM 813 N GLN A 54 -6.616 -5.726 3.787 1.00 1.00 N ATOM 814 CA GLN A 54 -5.174 -5.835 3.639 1.00 1.00 C ATOM 815 C GLN A 54 -4.719 -5.144 2.352 1.00 1.00 C ATOM 816 O GLN A 54 -3.718 -5.535 1.754 1.00 1.00 O ATOM 817 CB GLN A 54 -4.730 -7.299 3.661 1.00 1.00 C ATOM 818 CG GLN A 54 -4.710 -7.844 5.090 1.00 1.00 C ATOM 819 CD GLN A 54 -3.584 -7.206 5.905 1.00 1.00 C ATOM 820 OE1 GLN A 54 -2.599 -6.717 5.376 1.00 1.00 O ATOM 821 NE2 GLN A 54 -3.782 -7.238 7.220 1.00 1.00 N ATOM 0 H GLN A 54 -7.148 -6.481 3.354 1.00 1.00 H new ATOM 0 HA GLN A 54 -4.703 -5.333 4.484 1.00 1.00 H new ATOM 0 HB2 GLN A 54 -5.406 -7.897 3.049 1.00 1.00 H new ATOM 0 HB3 GLN A 54 -3.737 -7.388 3.220 1.00 1.00 H new ATOM 0 HG2 GLN A 54 -5.668 -7.648 5.571 1.00 1.00 H new ATOM 0 HG3 GLN A 54 -4.580 -8.926 5.068 1.00 1.00 H new ATOM 0 HE21 GLN A 54 -4.629 -7.663 7.598 1.00 1.00 H new ATOM 0 HE22 GLN A 54 -3.087 -6.838 7.850 1.00 1.00 H new ATOM 830 N ALA A 55 -5.475 -4.128 1.964 1.00 1.00 N ATOM 831 CA ALA A 55 -4.984 -3.150 1.008 1.00 1.00 C ATOM 832 C ALA A 55 -3.889 -2.307 1.665 1.00 1.00 C ATOM 833 O ALA A 55 -4.155 -1.557 2.602 1.00 1.00 O ATOM 834 CB ALA A 55 -6.150 -2.298 0.503 1.00 1.00 C ATOM 0 H ALA A 55 -6.425 -3.961 2.295 1.00 1.00 H new ATOM 0 HA ALA A 55 -4.545 -3.647 0.143 1.00 1.00 H new ATOM 0 HB1 ALA A 55 -5.781 -1.565 -0.214 1.00 1.00 H new ATOM 0 HB2 ALA A 55 -6.887 -2.939 0.019 1.00 1.00 H new ATOM 0 HB3 ALA A 55 -6.614 -1.782 1.343 1.00 1.00 H new ATOM 840 N ILE A 56 -2.678 -2.459 1.145 1.00 1.00 N ATOM 841 CA ILE A 56 -1.609 -1.526 1.456 1.00 1.00 C ATOM 842 C ILE A 56 -1.318 -0.662 0.227 1.00 1.00 C ATOM 843 O ILE A 56 -1.272 -1.167 -0.894 1.00 1.00 O ATOM 844 CB ILE A 56 -0.384 -2.273 1.987 1.00 1.00 C ATOM 845 CG1 ILE A 56 -0.796 -3.381 2.959 1.00 1.00 C ATOM 846 CG2 ILE A 56 0.621 -1.305 2.613 1.00 1.00 C ATOM 847 CD1 ILE A 56 -1.355 -2.792 4.256 1.00 1.00 C ATOM 0 H ILE A 56 -2.415 -3.214 0.511 1.00 1.00 H new ATOM 0 HA ILE A 56 -1.913 -0.851 2.256 1.00 1.00 H new ATOM 0 HB ILE A 56 0.115 -2.753 1.145 1.00 1.00 H new ATOM 0 HG12 ILE A 56 -1.546 -4.019 2.492 1.00 1.00 H new ATOM 0 HG13 ILE A 56 0.064 -4.012 3.183 1.00 1.00 H new ATOM 0 HG21 ILE A 56 1.482 -1.863 2.982 1.00 1.00 H new ATOM 0 HG22 ILE A 56 0.949 -0.586 1.863 1.00 1.00 H new ATOM 0 HG23 ILE A 56 0.149 -0.776 3.441 1.00 1.00 H new ATOM 0 HD11 ILE A 56 -1.640 -3.600 4.929 1.00 1.00 H new ATOM 0 HD12 ILE A 56 -0.594 -2.174 4.733 1.00 1.00 H new ATOM 0 HD13 ILE A 56 -2.230 -2.181 4.031 1.00 1.00 H new ATOM 859 N VAL A 57 -1.131 0.624 0.479 1.00 1.00 N ATOM 860 CA VAL A 57 -1.121 1.603 -0.595 1.00 1.00 C ATOM 861 C VAL A 57 0.073 2.543 -0.412 1.00 1.00 C ATOM 862 O VAL A 57 0.450 2.861 0.714 1.00 1.00 O ATOM 863 CB VAL A 57 -2.461 2.341 -0.641 1.00 1.00 C ATOM 864 CG1 VAL A 57 -3.214 2.194 0.683 1.00 1.00 C ATOM 865 CG2 VAL A 57 -2.262 3.816 -0.998 1.00 1.00 C ATOM 0 H VAL A 57 -0.985 1.012 1.411 1.00 1.00 H new ATOM 0 HA VAL A 57 -1.002 1.111 -1.560 1.00 1.00 H new ATOM 0 HB VAL A 57 -3.068 1.885 -1.423 1.00 1.00 H new ATOM 0 HG11 VAL A 57 -4.163 2.728 0.623 1.00 1.00 H new ATOM 0 HG12 VAL A 57 -3.403 1.139 0.879 1.00 1.00 H new ATOM 0 HG13 VAL A 57 -2.613 2.611 1.491 1.00 1.00 H new ATOM 0 HG21 VAL A 57 -3.229 4.318 -1.024 1.00 1.00 H new ATOM 0 HG22 VAL A 57 -1.628 4.289 -0.248 1.00 1.00 H new ATOM 0 HG23 VAL A 57 -1.787 3.893 -1.976 1.00 1.00 H new ATOM 875 N TRP A 58 0.634 2.960 -1.537 1.00 1.00 N ATOM 876 CA TRP A 58 1.865 3.732 -1.518 1.00 1.00 C ATOM 877 C TRP A 58 1.617 4.998 -0.697 1.00 1.00 C ATOM 878 O TRP A 58 0.477 5.438 -0.556 1.00 1.00 O ATOM 879 CB TRP A 58 2.349 4.027 -2.939 1.00 1.00 C ATOM 880 CG TRP A 58 3.673 4.791 -3.000 1.00 1.00 C ATOM 881 CD1 TRP A 58 4.916 4.289 -3.006 1.00 1.00 C ATOM 882 CD2 TRP A 58 3.837 6.224 -3.063 1.00 1.00 C ATOM 883 NE1 TRP A 58 5.864 5.290 -3.068 1.00 1.00 N ATOM 884 CE2 TRP A 58 5.187 6.503 -3.103 1.00 1.00 C ATOM 885 CE3 TRP A 58 2.875 7.249 -3.084 1.00 1.00 C ATOM 886 CZ2 TRP A 58 5.700 7.805 -3.168 1.00 1.00 C ATOM 887 CZ3 TRP A 58 3.403 8.545 -3.148 1.00 1.00 C ATOM 888 CH2 TRP A 58 4.759 8.843 -3.190 1.00 1.00 C ATOM 0 H TRP A 58 0.259 2.778 -2.468 1.00 1.00 H new ATOM 0 HA TRP A 58 2.668 3.164 -1.048 1.00 1.00 H new ATOM 0 HB2 TRP A 58 2.460 3.085 -3.477 1.00 1.00 H new ATOM 0 HB3 TRP A 58 1.584 4.604 -3.460 1.00 1.00 H new ATOM 0 HD1 TRP A 58 5.146 3.235 -2.967 1.00 1.00 H new ATOM 0 HE1 TRP A 58 6.876 5.163 -3.085 1.00 1.00 H new ATOM 0 HE3 TRP A 58 1.813 7.053 -3.053 1.00 1.00 H new ATOM 0 HZ2 TRP A 58 6.762 7.998 -3.199 1.00 1.00 H new ATOM 0 HZ3 TRP A 58 2.707 9.370 -3.166 1.00 1.00 H new ATOM 0 HH2 TRP A 58 5.087 9.871 -3.239 1.00 1.00 H new ATOM 899 N PRO A 59 2.732 5.564 -0.160 1.00 1.00 N ATOM 900 CA PRO A 59 3.931 4.777 0.074 1.00 1.00 C ATOM 901 C PRO A 59 3.762 3.870 1.295 1.00 1.00 C ATOM 902 O PRO A 59 2.645 3.657 1.764 1.00 1.00 O ATOM 903 CB PRO A 59 5.045 5.798 0.242 1.00 1.00 C ATOM 904 CG PRO A 59 4.357 7.116 0.559 1.00 1.00 C ATOM 905 CD PRO A 59 2.879 6.961 0.235 1.00 1.00 C ATOM 0 HA PRO A 59 4.154 4.095 -0.747 1.00 1.00 H new ATOM 0 HB2 PRO A 59 5.723 5.508 1.045 1.00 1.00 H new ATOM 0 HB3 PRO A 59 5.642 5.878 -0.666 1.00 1.00 H new ATOM 0 HG2 PRO A 59 4.492 7.374 1.609 1.00 1.00 H new ATOM 0 HG3 PRO A 59 4.793 7.925 -0.027 1.00 1.00 H new ATOM 0 HD2 PRO A 59 2.257 7.196 1.099 1.00 1.00 H new ATOM 0 HD3 PRO A 59 2.577 7.634 -0.568 1.00 1.00 H new ATOM 913 N LEU A 60 4.887 3.359 1.773 1.00 1.00 N ATOM 914 CA LEU A 60 4.993 2.956 3.165 1.00 1.00 C ATOM 915 C LEU A 60 5.380 4.167 4.015 1.00 1.00 C ATOM 916 O LEU A 60 6.036 5.086 3.530 1.00 1.00 O ATOM 917 CB LEU A 60 5.952 1.772 3.307 1.00 1.00 C ATOM 918 CG LEU A 60 5.605 0.525 2.491 1.00 1.00 C ATOM 919 CD1 LEU A 60 4.091 0.371 2.341 1.00 1.00 C ATOM 920 CD2 LEU A 60 6.317 0.542 1.136 1.00 1.00 C ATOM 0 H LEU A 60 5.733 3.215 1.221 1.00 1.00 H new ATOM 0 HA LEU A 60 4.030 2.603 3.534 1.00 1.00 H new ATOM 0 HB2 LEU A 60 6.950 2.103 3.021 1.00 1.00 H new ATOM 0 HB3 LEU A 60 5.998 1.492 4.359 1.00 1.00 H new ATOM 0 HG LEU A 60 5.964 -0.349 3.033 1.00 1.00 H new ATOM 0 HD11 LEU A 60 3.872 -0.523 1.757 1.00 1.00 H new ATOM 0 HD12 LEU A 60 3.635 0.281 3.327 1.00 1.00 H new ATOM 0 HD13 LEU A 60 3.685 1.245 1.832 1.00 1.00 H new ATOM 0 HD21 LEU A 60 6.054 -0.355 0.575 1.00 1.00 H new ATOM 0 HD22 LEU A 60 6.010 1.424 0.574 1.00 1.00 H new ATOM 0 HD23 LEU A 60 7.395 0.569 1.292 1.00 1.00 H new ATOM 932 N PRO A 61 4.945 4.126 5.303 1.00 1.00 N ATOM 933 CA PRO A 61 4.911 5.328 6.120 1.00 1.00 C ATOM 934 C PRO A 61 6.319 5.723 6.571 1.00 1.00 C ATOM 935 O PRO A 61 6.690 6.894 6.503 1.00 1.00 O ATOM 936 CB PRO A 61 3.989 4.989 7.280 1.00 1.00 C ATOM 937 CG PRO A 61 3.910 3.473 7.321 1.00 1.00 C ATOM 938 CD PRO A 61 4.475 2.941 6.014 1.00 1.00 C ATOM 0 HA PRO A 61 4.541 6.197 5.576 1.00 1.00 H new ATOM 0 HB2 PRO A 61 4.379 5.385 8.218 1.00 1.00 H new ATOM 0 HB3 PRO A 61 3.002 5.428 7.135 1.00 1.00 H new ATOM 0 HG2 PRO A 61 4.476 3.084 8.168 1.00 1.00 H new ATOM 0 HG3 PRO A 61 2.878 3.148 7.451 1.00 1.00 H new ATOM 0 HD2 PRO A 61 5.288 2.237 6.192 1.00 1.00 H new ATOM 0 HD3 PRO A 61 3.714 2.411 5.441 1.00 1.00 H new ATOM 946 N ASN A 62 7.064 4.725 7.020 1.00 1.00 N ATOM 947 CA ASN A 62 8.336 4.976 7.676 1.00 1.00 C ATOM 948 C ASN A 62 9.469 4.813 6.662 1.00 1.00 C ATOM 949 O ASN A 62 10.644 4.918 7.015 1.00 1.00 O ATOM 950 CB ASN A 62 8.574 3.983 8.816 1.00 1.00 C ATOM 951 CG ASN A 62 8.624 2.547 8.289 1.00 1.00 C ATOM 952 OD1 ASN A 62 7.930 2.176 7.358 1.00 1.00 O ATOM 953 ND2 ASN A 62 9.481 1.763 8.938 1.00 1.00 N ATOM 0 H ASN A 62 6.811 3.740 6.943 1.00 1.00 H new ATOM 0 HA ASN A 62 8.313 5.988 8.079 1.00 1.00 H new ATOM 0 HB2 ASN A 62 9.510 4.222 9.322 1.00 1.00 H new ATOM 0 HB3 ASN A 62 7.779 4.075 9.556 1.00 1.00 H new ATOM 0 HD21 ASN A 62 9.587 0.786 8.664 1.00 1.00 H new ATOM 0 HD22 ASN A 62 10.032 2.139 9.710 1.00 1.00 H new ATOM 960 N LYS A 63 9.079 4.558 5.422 1.00 1.00 N ATOM 961 CA LYS A 63 10.047 4.368 4.356 1.00 1.00 C ATOM 962 C LYS A 63 9.363 4.585 3.005 1.00 1.00 C ATOM 963 O LYS A 63 8.493 3.807 2.614 1.00 1.00 O ATOM 964 CB LYS A 63 10.729 3.004 4.488 1.00 1.00 C ATOM 965 CG LYS A 63 9.714 1.868 4.343 1.00 1.00 C ATOM 966 CD LYS A 63 10.272 0.559 4.906 1.00 1.00 C ATOM 967 CE LYS A 63 9.272 -0.584 4.729 1.00 1.00 C ATOM 968 NZ LYS A 63 9.172 -0.970 3.303 1.00 1.00 N ATOM 0 H LYS A 63 8.104 4.478 5.132 1.00 1.00 H new ATOM 0 HA LYS A 63 10.845 5.107 4.431 1.00 1.00 H new ATOM 0 HB2 LYS A 63 11.503 2.905 3.727 1.00 1.00 H new ATOM 0 HB3 LYS A 63 11.224 2.933 5.456 1.00 1.00 H new ATOM 0 HG2 LYS A 63 8.793 2.129 4.865 1.00 1.00 H new ATOM 0 HG3 LYS A 63 9.458 1.736 3.292 1.00 1.00 H new ATOM 0 HD2 LYS A 63 11.206 0.311 4.402 1.00 1.00 H new ATOM 0 HD3 LYS A 63 10.504 0.684 5.964 1.00 1.00 H new ATOM 0 HE2 LYS A 63 9.584 -1.443 5.323 1.00 1.00 H new ATOM 0 HE3 LYS A 63 8.293 -0.279 5.099 1.00 1.00 H new ATOM 0 HZ1 LYS A 63 8.744 -1.915 3.228 1.00 1.00 H new ATOM 0 HZ2 LYS A 63 8.580 -0.281 2.798 1.00 1.00 H new ATOM 0 HZ3 LYS A 63 10.122 -0.986 2.880 1.00 1.00 H new ATOM 982 N ARG A 64 9.780 5.645 2.329 1.00 1.00 N ATOM 983 CA ARG A 64 9.230 5.965 1.023 1.00 1.00 C ATOM 984 C ARG A 64 10.354 6.119 -0.003 1.00 1.00 C ATOM 985 O ARG A 64 11.434 6.608 0.323 1.00 1.00 O ATOM 986 CB ARG A 64 8.411 7.256 1.071 1.00 1.00 C ATOM 987 CG ARG A 64 9.152 8.345 1.852 1.00 1.00 C ATOM 988 CD ARG A 64 8.713 8.363 3.318 1.00 1.00 C ATOM 989 NE ARG A 64 9.663 9.167 4.120 1.00 1.00 N ATOM 990 CZ ARG A 64 9.689 9.182 5.460 1.00 1.00 C ATOM 991 NH1 ARG A 64 8.748 8.529 6.155 1.00 1.00 N ATOM 992 NH2 ARG A 64 10.656 9.848 6.103 1.00 1.00 N ATOM 0 H ARG A 64 10.493 6.294 2.662 1.00 1.00 H new ATOM 0 HA ARG A 64 8.575 5.145 0.729 1.00 1.00 H new ATOM 0 HB2 ARG A 64 8.211 7.602 0.057 1.00 1.00 H new ATOM 0 HB3 ARG A 64 7.445 7.062 1.538 1.00 1.00 H new ATOM 0 HG2 ARG A 64 10.227 8.173 1.793 1.00 1.00 H new ATOM 0 HG3 ARG A 64 8.959 9.317 1.399 1.00 1.00 H new ATOM 0 HD2 ARG A 64 7.710 8.781 3.401 1.00 1.00 H new ATOM 0 HD3 ARG A 64 8.667 7.345 3.705 1.00 1.00 H new ATOM 0 HE ARG A 64 10.340 9.745 3.622 1.00 1.00 H new ATOM 0 HH11 ARG A 64 8.012 8.021 5.664 1.00 1.00 H new ATOM 0 HH12 ARG A 64 8.767 8.540 7.175 1.00 1.00 H new ATOM 0 HH21 ARG A 64 11.373 10.344 5.573 1.00 1.00 H new ATOM 0 HH22 ARG A 64 10.676 9.860 7.123 1.00 1.00 H new ATOM 1006 N CYS A 65 10.060 5.693 -1.223 1.00 1.00 N ATOM 1007 CA CYS A 65 11.058 5.706 -2.280 1.00 1.00 C ATOM 1008 C CYS A 65 11.101 7.113 -2.882 1.00 1.00 C ATOM 1009 O CYS A 65 10.081 7.798 -2.941 1.00 1.00 O ATOM 1010 CB CYS A 65 10.773 4.641 -3.340 1.00 1.00 C ATOM 1011 SG CYS A 65 12.156 4.316 -4.492 1.00 1.00 S ATOM 0 H CYS A 65 9.146 5.337 -1.503 1.00 1.00 H new ATOM 0 HA CYS A 65 12.035 5.459 -1.865 1.00 1.00 H new ATOM 0 HB2 CYS A 65 10.510 3.710 -2.838 1.00 1.00 H new ATOM 0 HB3 CYS A 65 9.902 4.948 -3.918 1.00 1.00 H new ATOM 1016 N SER A 66 12.292 7.500 -3.314 1.00 1.00 N ATOM 1017 CA SER A 66 12.472 8.793 -3.952 1.00 1.00 C ATOM 1018 C SER A 66 11.736 8.822 -5.292 1.00 1.00 C ATOM 1019 O SER A 66 10.960 9.738 -5.559 1.00 1.00 O ATOM 1020 CB SER A 66 13.956 9.105 -4.154 1.00 1.00 C ATOM 1021 OG SER A 66 14.592 8.151 -5.000 1.00 1.00 O ATOM 0 H SER A 66 13.142 6.941 -3.235 1.00 1.00 H new ATOM 0 HA SER A 66 12.053 9.558 -3.299 1.00 1.00 H new ATOM 0 HB2 SER A 66 14.062 10.100 -4.586 1.00 1.00 H new ATOM 0 HB3 SER A 66 14.458 9.123 -3.186 1.00 1.00 H new ATOM 0 HG SER A 66 13.927 7.747 -5.596 1.00 1.00 H new HETATM 1027 N NH2 A 67 12.006 7.808 -6.101 1.00 1.00 N TER 1030 NH2 A 67