USER MOD reduce.3.24.130724 H: found=0, std=0, add=493, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 492 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 14 TYR OH : rot 30:sc= 1.92 USER MOD Set 1.2: A 32 GLN : amide:sc= 1.94 K(o=3.9,f=2) USER MOD Single : A 1 LYS N :NH3+ -120:sc= 1.09 (180deg=0.171) USER MOD Single : A 1 LYS NZ :NH3+ -117:sc= 1.29 (180deg=0.439) USER MOD Single : A 4 TYR OH : rot 38:sc= 0.104 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 10 THR OG1 : rot 58:sc= -0.12 USER MOD Single : A 13 LYS NZ :NH3+ -150:sc= 2.35 (180deg=0.392) USER MOD Single : A 18 LYS NZ :NH3+ 179:sc= 0.272 (180deg=0.169) USER MOD Single : A 22 ASN : amide:sc= -0.459 X(o=-0.46,f=-0.89) USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ -154:sc= 1.27 (180deg=1.12) USER MOD Single : A 31 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 33 TYR OH : rot -151:sc= -0.0782 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 TYR OH : rot -76:sc= 1.16 USER MOD Single : A 42 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 THR OG1 : rot -64:sc= 0.646 USER MOD Single : A 50 HIS : no HE2:sc= 0.705 K(o=0.71,f=-2.7!) USER MOD Single : A 52 TYR OH : rot -126:sc= 1.18 USER MOD Single : A 54 GLN : amide:sc= 0 K(o=0,f=-0.83) USER MOD Single : A 62 ASN : amide:sc= 0.528 K(o=0.53,f=-5.2!) USER MOD Single : A 63 LYS NZ :NH3+ 158:sc= 2.14 (180deg=1.51) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 -10.417 0.376 1.295 1.00 1.00 N ATOM 2 CA LYS A 1 -9.045 0.712 1.637 1.00 1.00 C ATOM 3 C LYS A 1 -8.243 0.931 0.353 1.00 1.00 C ATOM 4 O LYS A 1 -7.251 0.246 0.111 1.00 1.00 O ATOM 5 CB LYS A 1 -8.448 -0.351 2.561 1.00 1.00 C ATOM 6 CG LYS A 1 -7.196 0.175 3.265 1.00 1.00 C ATOM 7 CD LYS A 1 -6.601 -0.886 4.194 1.00 1.00 C ATOM 8 CE LYS A 1 -5.303 -0.390 4.833 1.00 1.00 C ATOM 9 NZ LYS A 1 -4.730 -1.430 5.715 1.00 1.00 N ATOM 0 H1 LYS A 1 -11.060 1.085 1.702 1.00 1.00 H new ATOM 0 H2 LYS A 1 -10.524 0.365 0.261 1.00 1.00 H new ATOM 0 H3 LYS A 1 -10.650 -0.563 1.677 1.00 1.00 H new ATOM 0 HA LYS A 1 -9.010 1.646 2.198 1.00 1.00 H new ATOM 0 HB2 LYS A 1 -9.188 -0.650 3.303 1.00 1.00 H new ATOM 0 HB3 LYS A 1 -8.198 -1.241 1.984 1.00 1.00 H new ATOM 0 HG2 LYS A 1 -6.454 0.470 2.523 1.00 1.00 H new ATOM 0 HG3 LYS A 1 -7.445 1.067 3.839 1.00 1.00 H new ATOM 0 HD2 LYS A 1 -7.321 -1.137 4.973 1.00 1.00 H new ATOM 0 HD3 LYS A 1 -6.408 -1.800 3.632 1.00 1.00 H new ATOM 0 HE2 LYS A 1 -4.585 -0.128 4.056 1.00 1.00 H new ATOM 0 HE3 LYS A 1 -5.496 0.516 5.407 1.00 1.00 H new ATOM 0 HZ1 LYS A 1 -4.711 -1.082 6.695 1.00 1.00 H new ATOM 0 HZ2 LYS A 1 -5.314 -2.289 5.664 1.00 1.00 H new ATOM 0 HZ3 LYS A 1 -3.761 -1.651 5.407 1.00 1.00 H new ATOM 25 N GLU A 2 -8.703 1.889 -0.438 1.00 1.00 N ATOM 26 CA GLU A 2 -8.261 1.998 -1.818 1.00 1.00 C ATOM 27 C GLU A 2 -7.166 3.059 -1.943 1.00 1.00 C ATOM 28 O GLU A 2 -7.050 3.940 -1.092 1.00 1.00 O ATOM 29 CB GLU A 2 -9.436 2.310 -2.747 1.00 1.00 C ATOM 30 CG GLU A 2 -10.656 1.457 -2.392 1.00 1.00 C ATOM 31 CD GLU A 2 -10.262 -0.006 -2.185 1.00 1.00 C ATOM 32 OE1 GLU A 2 -9.674 -0.575 -3.130 1.00 1.00 O ATOM 33 OE2 GLU A 2 -10.556 -0.524 -1.086 1.00 1.00 O ATOM 0 H GLU A 2 -9.378 2.597 -0.149 1.00 1.00 H new ATOM 0 HA GLU A 2 -7.845 1.038 -2.122 1.00 1.00 H new ATOM 0 HB2 GLU A 2 -9.692 3.367 -2.673 1.00 1.00 H new ATOM 0 HB3 GLU A 2 -9.146 2.124 -3.781 1.00 1.00 H new ATOM 0 HG2 GLU A 2 -11.123 1.843 -1.486 1.00 1.00 H new ATOM 0 HG3 GLU A 2 -11.398 1.528 -3.188 1.00 1.00 H new ATOM 40 N GLY A 3 -6.391 2.941 -3.011 1.00 1.00 N ATOM 41 CA GLY A 3 -5.382 3.941 -3.317 1.00 1.00 C ATOM 42 C GLY A 3 -4.407 3.428 -4.379 1.00 1.00 C ATOM 43 O GLY A 3 -4.707 2.473 -5.094 1.00 1.00 O ATOM 0 H GLY A 3 -6.441 2.168 -3.675 1.00 1.00 H new ATOM 0 HA2 GLY A 3 -5.864 4.853 -3.670 1.00 1.00 H new ATOM 0 HA3 GLY A 3 -4.835 4.200 -2.411 1.00 1.00 H new ATOM 47 N TYR A 4 -3.259 4.085 -4.447 1.00 1.00 N ATOM 48 CA TYR A 4 -2.161 3.591 -5.262 1.00 1.00 C ATOM 49 C TYR A 4 -1.440 2.434 -4.568 1.00 1.00 C ATOM 50 O TYR A 4 -0.955 2.583 -3.448 1.00 1.00 O ATOM 51 CB TYR A 4 -1.190 4.763 -5.417 1.00 1.00 C ATOM 52 CG TYR A 4 -1.792 5.982 -6.118 1.00 1.00 C ATOM 53 CD1 TYR A 4 -2.124 5.916 -7.456 1.00 1.00 C ATOM 54 CD2 TYR A 4 -2.003 7.149 -5.412 1.00 1.00 C ATOM 55 CE1 TYR A 4 -2.690 7.063 -8.116 1.00 1.00 C ATOM 56 CE2 TYR A 4 -2.570 8.297 -6.072 1.00 1.00 C ATOM 57 CZ TYR A 4 -2.886 8.197 -7.391 1.00 1.00 C ATOM 58 OH TYR A 4 -3.421 9.281 -8.014 1.00 1.00 O ATOM 0 H TYR A 4 -3.065 4.955 -3.951 1.00 1.00 H new ATOM 0 HA TYR A 4 -2.529 3.224 -6.220 1.00 1.00 H new ATOM 0 HB2 TYR A 4 -0.837 5.062 -4.430 1.00 1.00 H new ATOM 0 HB3 TYR A 4 -0.318 4.427 -5.979 1.00 1.00 H new ATOM 0 HD1 TYR A 4 -1.959 5.003 -8.008 1.00 1.00 H new ATOM 0 HD2 TYR A 4 -1.743 7.201 -4.365 1.00 1.00 H new ATOM 0 HE1 TYR A 4 -2.953 7.024 -9.163 1.00 1.00 H new ATOM 0 HE2 TYR A 4 -2.740 9.216 -5.532 1.00 1.00 H new ATOM 0 HH TYR A 4 -4.102 8.987 -8.654 1.00 1.00 H new ATOM 68 N LEU A 5 -1.392 1.307 -5.263 1.00 1.00 N ATOM 69 CA LEU A 5 -0.604 0.176 -4.802 1.00 1.00 C ATOM 70 C LEU A 5 0.865 0.590 -4.705 1.00 1.00 C ATOM 71 O LEU A 5 1.252 1.644 -5.209 1.00 1.00 O ATOM 72 CB LEU A 5 -0.841 -1.043 -5.696 1.00 1.00 C ATOM 73 CG LEU A 5 -0.057 -1.075 -7.008 1.00 1.00 C ATOM 74 CD1 LEU A 5 0.137 -2.512 -7.496 1.00 1.00 C ATOM 75 CD2 LEU A 5 -0.724 -0.195 -8.068 1.00 1.00 C ATOM 0 H LEU A 5 -1.886 1.153 -6.142 1.00 1.00 H new ATOM 0 HA LEU A 5 -0.918 -0.125 -3.803 1.00 1.00 H new ATOM 0 HB2 LEU A 5 -0.595 -1.939 -5.127 1.00 1.00 H new ATOM 0 HB3 LEU A 5 -1.904 -1.096 -5.930 1.00 1.00 H new ATOM 0 HG LEU A 5 0.934 -0.661 -6.823 1.00 1.00 H new ATOM 0 HD11 LEU A 5 0.698 -2.506 -8.431 1.00 1.00 H new ATOM 0 HD12 LEU A 5 0.688 -3.080 -6.746 1.00 1.00 H new ATOM 0 HD13 LEU A 5 -0.836 -2.975 -7.659 1.00 1.00 H new ATOM 0 HD21 LEU A 5 -0.146 -0.236 -8.991 1.00 1.00 H new ATOM 0 HD22 LEU A 5 -1.735 -0.556 -8.257 1.00 1.00 H new ATOM 0 HD23 LEU A 5 -0.767 0.834 -7.712 1.00 1.00 H new ATOM 87 N VAL A 6 1.645 -0.260 -4.053 1.00 1.00 N ATOM 88 CA VAL A 6 2.911 0.169 -3.485 1.00 1.00 C ATOM 89 C VAL A 6 3.981 -0.883 -3.779 1.00 1.00 C ATOM 90 O VAL A 6 3.686 -2.076 -3.827 1.00 1.00 O ATOM 91 CB VAL A 6 2.746 0.452 -1.991 1.00 1.00 C ATOM 92 CG1 VAL A 6 2.115 -0.742 -1.273 1.00 1.00 C ATOM 93 CG2 VAL A 6 4.082 0.832 -1.352 1.00 1.00 C ATOM 0 H VAL A 6 1.424 -1.245 -3.906 1.00 1.00 H new ATOM 0 HA VAL A 6 3.238 1.102 -3.945 1.00 1.00 H new ATOM 0 HB VAL A 6 2.072 1.302 -1.885 1.00 1.00 H new ATOM 0 HG11 VAL A 6 2.009 -0.514 -0.212 1.00 1.00 H new ATOM 0 HG12 VAL A 6 1.133 -0.946 -1.700 1.00 1.00 H new ATOM 0 HG13 VAL A 6 2.753 -1.618 -1.394 1.00 1.00 H new ATOM 0 HG21 VAL A 6 3.935 1.028 -0.290 1.00 1.00 H new ATOM 0 HG22 VAL A 6 4.790 0.013 -1.475 1.00 1.00 H new ATOM 0 HG23 VAL A 6 4.475 1.727 -1.835 1.00 1.00 H new ATOM 103 N ASP A 7 5.202 -0.404 -3.969 1.00 1.00 N ATOM 104 CA ASP A 7 6.356 -1.287 -4.001 1.00 1.00 C ATOM 105 C ASP A 7 6.691 -1.732 -2.575 1.00 1.00 C ATOM 106 O ASP A 7 7.016 -0.907 -1.724 1.00 1.00 O ATOM 107 CB ASP A 7 7.581 -0.571 -4.573 1.00 1.00 C ATOM 108 CG ASP A 7 8.871 -1.393 -4.566 1.00 1.00 C ATOM 109 OD1 ASP A 7 8.806 -2.548 -4.093 1.00 1.00 O ATOM 110 OD2 ASP A 7 9.894 -0.846 -5.034 1.00 1.00 O ATOM 0 H ASP A 7 5.417 0.584 -4.102 1.00 1.00 H new ATOM 0 HA ASP A 7 6.110 -2.141 -4.632 1.00 1.00 H new ATOM 0 HB2 ASP A 7 7.363 -0.273 -5.599 1.00 1.00 H new ATOM 0 HB3 ASP A 7 7.747 0.344 -4.004 1.00 1.00 H new ATOM 115 N LYS A 8 6.600 -3.037 -2.361 1.00 1.00 N ATOM 116 CA LYS A 8 6.566 -3.573 -1.012 1.00 1.00 C ATOM 117 C LYS A 8 7.975 -3.532 -0.416 1.00 1.00 C ATOM 118 O LYS A 8 8.151 -3.734 0.785 1.00 1.00 O ATOM 119 CB LYS A 8 5.935 -4.966 -1.004 1.00 1.00 C ATOM 120 CG LYS A 8 4.443 -4.890 -0.671 1.00 1.00 C ATOM 121 CD LYS A 8 4.221 -4.838 0.842 1.00 1.00 C ATOM 122 CE LYS A 8 4.169 -6.246 1.437 1.00 1.00 C ATOM 123 NZ LYS A 8 3.917 -6.184 2.894 1.00 1.00 N ATOM 0 H LYS A 8 6.549 -3.738 -3.100 1.00 1.00 H new ATOM 0 HA LYS A 8 5.931 -2.958 -0.374 1.00 1.00 H new ATOM 0 HB2 LYS A 8 6.070 -5.436 -1.978 1.00 1.00 H new ATOM 0 HB3 LYS A 8 6.443 -5.595 -0.273 1.00 1.00 H new ATOM 0 HG2 LYS A 8 4.007 -4.006 -1.137 1.00 1.00 H new ATOM 0 HG3 LYS A 8 3.929 -5.756 -1.088 1.00 1.00 H new ATOM 0 HD2 LYS A 8 5.024 -4.270 1.312 1.00 1.00 H new ATOM 0 HD3 LYS A 8 3.291 -4.313 1.059 1.00 1.00 H new ATOM 0 HE2 LYS A 8 3.383 -6.824 0.950 1.00 1.00 H new ATOM 0 HE3 LYS A 8 5.110 -6.763 1.246 1.00 1.00 H new ATOM 0 HZ1 LYS A 8 3.885 -7.148 3.282 1.00 1.00 H new ATOM 0 HZ2 LYS A 8 4.681 -5.650 3.356 1.00 1.00 H new ATOM 0 HZ3 LYS A 8 3.008 -5.710 3.069 1.00 1.00 H new ATOM 137 N ASN A 9 8.942 -3.272 -1.283 1.00 1.00 N ATOM 138 CA ASN A 9 10.330 -3.203 -0.857 1.00 1.00 C ATOM 139 C ASN A 9 10.656 -1.773 -0.424 1.00 1.00 C ATOM 140 O ASN A 9 10.711 -1.478 0.770 1.00 1.00 O ATOM 141 CB ASN A 9 11.276 -3.578 -2.000 1.00 1.00 C ATOM 142 CG ASN A 9 11.746 -5.027 -1.869 1.00 1.00 C ATOM 143 OD1 ASN A 9 12.846 -5.313 -1.425 1.00 1.00 O ATOM 144 ND2 ASN A 9 10.854 -5.925 -2.280 1.00 1.00 N ATOM 0 H ASN A 9 8.792 -3.107 -2.278 1.00 1.00 H new ATOM 0 HA ASN A 9 10.465 -3.903 -0.032 1.00 1.00 H new ATOM 0 HB2 ASN A 9 10.770 -3.441 -2.956 1.00 1.00 H new ATOM 0 HB3 ASN A 9 12.138 -2.911 -1.997 1.00 1.00 H new ATOM 0 HD21 ASN A 9 11.074 -6.920 -2.234 1.00 1.00 H new ATOM 0 HD22 ASN A 9 9.951 -5.618 -2.641 1.00 1.00 H new ATOM 151 N THR A 10 10.864 -0.920 -1.417 1.00 1.00 N ATOM 152 CA THR A 10 11.444 0.389 -1.170 1.00 1.00 C ATOM 153 C THR A 10 10.344 1.415 -0.885 1.00 1.00 C ATOM 154 O THR A 10 10.623 2.513 -0.406 1.00 1.00 O ATOM 155 CB THR A 10 12.318 0.754 -2.372 1.00 1.00 C ATOM 156 OG1 THR A 10 11.697 0.086 -3.467 1.00 1.00 O ATOM 157 CG2 THR A 10 13.711 0.125 -2.295 1.00 1.00 C ATOM 0 H THR A 10 10.641 -1.110 -2.394 1.00 1.00 H new ATOM 0 HA THR A 10 12.075 0.380 -0.281 1.00 1.00 H new ATOM 0 HB THR A 10 12.412 1.838 -2.437 1.00 1.00 H new ATOM 0 HG1 THR A 10 10.765 0.379 -3.543 1.00 1.00 H new ATOM 0 HG21 THR A 10 14.290 0.415 -3.171 1.00 1.00 H new ATOM 0 HG22 THR A 10 14.217 0.472 -1.394 1.00 1.00 H new ATOM 0 HG23 THR A 10 13.619 -0.961 -2.264 1.00 1.00 H new ATOM 165 N GLY A 11 9.117 1.020 -1.192 1.00 1.00 N ATOM 166 CA GLY A 11 7.987 1.924 -1.067 1.00 1.00 C ATOM 167 C GLY A 11 8.193 3.180 -1.917 1.00 1.00 C ATOM 168 O GLY A 11 7.962 4.294 -1.450 1.00 1.00 O ATOM 0 H GLY A 11 8.881 0.086 -1.527 1.00 1.00 H new ATOM 0 HA2 GLY A 11 7.074 1.416 -1.378 1.00 1.00 H new ATOM 0 HA3 GLY A 11 7.855 2.205 -0.022 1.00 1.00 H new ATOM 172 N CYS A 12 8.624 2.957 -3.150 1.00 1.00 N ATOM 173 CA CYS A 12 8.531 3.985 -4.172 1.00 1.00 C ATOM 174 C CYS A 12 7.166 3.863 -4.853 1.00 1.00 C ATOM 175 O CYS A 12 6.572 2.786 -4.873 1.00 1.00 O ATOM 176 CB CYS A 12 9.680 3.889 -5.178 1.00 1.00 C ATOM 177 SG CYS A 12 11.123 4.948 -4.797 1.00 1.00 S ATOM 0 H CYS A 12 9.038 2.079 -3.464 1.00 1.00 H new ATOM 0 HA CYS A 12 8.620 4.968 -3.711 1.00 1.00 H new ATOM 0 HB2 CYS A 12 10.012 2.852 -5.232 1.00 1.00 H new ATOM 0 HB3 CYS A 12 9.303 4.154 -6.166 1.00 1.00 H new ATOM 182 N LYS A 13 6.708 4.983 -5.395 1.00 1.00 N ATOM 183 CA LYS A 13 5.401 5.026 -6.030 1.00 1.00 C ATOM 184 C LYS A 13 5.371 4.034 -7.194 1.00 1.00 C ATOM 185 O LYS A 13 6.361 3.877 -7.906 1.00 1.00 O ATOM 186 CB LYS A 13 5.051 6.459 -6.434 1.00 1.00 C ATOM 187 CG LYS A 13 6.110 7.038 -7.374 1.00 1.00 C ATOM 188 CD LYS A 13 5.460 7.809 -8.525 1.00 1.00 C ATOM 189 CE LYS A 13 4.875 6.851 -9.565 1.00 1.00 C ATOM 190 NZ LYS A 13 4.590 7.569 -10.828 1.00 1.00 N ATOM 0 H LYS A 13 7.218 5.866 -5.407 1.00 1.00 H new ATOM 0 HA LYS A 13 4.626 4.717 -5.329 1.00 1.00 H new ATOM 0 HB2 LYS A 13 4.077 6.475 -6.924 1.00 1.00 H new ATOM 0 HB3 LYS A 13 4.970 7.082 -5.543 1.00 1.00 H new ATOM 0 HG2 LYS A 13 6.773 7.700 -6.817 1.00 1.00 H new ATOM 0 HG3 LYS A 13 6.726 6.232 -7.773 1.00 1.00 H new ATOM 0 HD2 LYS A 13 4.672 8.454 -8.136 1.00 1.00 H new ATOM 0 HD3 LYS A 13 6.199 8.457 -8.997 1.00 1.00 H new ATOM 0 HE2 LYS A 13 5.575 6.037 -9.753 1.00 1.00 H new ATOM 0 HE3 LYS A 13 3.959 6.402 -9.180 1.00 1.00 H new ATOM 0 HZ1 LYS A 13 3.786 7.119 -11.310 1.00 1.00 H new ATOM 0 HZ2 LYS A 13 4.357 8.561 -10.619 1.00 1.00 H new ATOM 0 HZ3 LYS A 13 5.427 7.533 -11.444 1.00 1.00 H new ATOM 204 N TYR A 14 4.225 3.390 -7.351 1.00 1.00 N ATOM 205 CA TYR A 14 4.067 2.381 -8.385 1.00 1.00 C ATOM 206 C TYR A 14 3.578 3.008 -9.692 1.00 1.00 C ATOM 207 O TYR A 14 2.465 3.530 -9.756 1.00 1.00 O ATOM 208 CB TYR A 14 3.004 1.410 -7.869 1.00 1.00 C ATOM 209 CG TYR A 14 2.957 0.080 -8.624 1.00 1.00 C ATOM 210 CD1 TYR A 14 2.264 -0.013 -9.815 1.00 1.00 C ATOM 211 CD2 TYR A 14 3.608 -1.026 -8.117 1.00 1.00 C ATOM 212 CE1 TYR A 14 2.220 -1.264 -10.526 1.00 1.00 C ATOM 213 CE2 TYR A 14 3.564 -2.277 -8.828 1.00 1.00 C ATOM 214 CZ TYR A 14 2.872 -2.334 -9.997 1.00 1.00 C ATOM 215 OH TYR A 14 2.830 -3.516 -10.669 1.00 1.00 O ATOM 0 H TYR A 14 3.395 3.547 -6.779 1.00 1.00 H new ATOM 0 HA TYR A 14 5.018 1.889 -8.589 1.00 1.00 H new ATOM 0 HB2 TYR A 14 3.190 1.211 -6.814 1.00 1.00 H new ATOM 0 HB3 TYR A 14 2.027 1.888 -7.935 1.00 1.00 H new ATOM 0 HD1 TYR A 14 1.755 0.853 -10.213 1.00 1.00 H new ATOM 0 HD2 TYR A 14 4.151 -0.953 -7.186 1.00 1.00 H new ATOM 0 HE1 TYR A 14 1.682 -1.351 -11.458 1.00 1.00 H new ATOM 0 HE2 TYR A 14 4.069 -3.150 -8.442 1.00 1.00 H new ATOM 0 HH TYR A 14 2.751 -3.343 -11.630 1.00 1.00 H new ATOM 225 N GLU A 15 4.432 2.937 -10.702 1.00 1.00 N ATOM 226 CA GLU A 15 4.231 3.721 -11.909 1.00 1.00 C ATOM 227 C GLU A 15 3.529 2.883 -12.978 1.00 1.00 C ATOM 228 O GLU A 15 3.991 1.795 -13.321 1.00 1.00 O ATOM 229 CB GLU A 15 5.560 4.274 -12.430 1.00 1.00 C ATOM 230 CG GLU A 15 5.330 5.272 -13.567 1.00 1.00 C ATOM 231 CD GLU A 15 6.410 6.355 -13.573 1.00 1.00 C ATOM 232 OE1 GLU A 15 6.279 7.292 -12.755 1.00 1.00 O ATOM 233 OE2 GLU A 15 7.343 6.222 -14.394 1.00 1.00 O ATOM 0 H GLU A 15 5.265 2.348 -10.710 1.00 1.00 H new ATOM 0 HA GLU A 15 3.592 4.569 -11.665 1.00 1.00 H new ATOM 0 HB2 GLU A 15 6.099 4.761 -11.617 1.00 1.00 H new ATOM 0 HB3 GLU A 15 6.186 3.454 -12.782 1.00 1.00 H new ATOM 0 HG2 GLU A 15 5.331 4.747 -14.522 1.00 1.00 H new ATOM 0 HG3 GLU A 15 4.348 5.733 -13.458 1.00 1.00 H new ATOM 240 N CYS A 16 2.424 3.419 -13.474 1.00 1.00 N ATOM 241 CA CYS A 16 1.691 2.765 -14.545 1.00 1.00 C ATOM 242 C CYS A 16 2.046 3.456 -15.862 1.00 1.00 C ATOM 243 O CYS A 16 2.709 4.492 -15.865 1.00 1.00 O ATOM 244 CB CYS A 16 0.183 2.773 -14.284 1.00 1.00 C ATOM 245 SG CYS A 16 -0.745 4.067 -15.185 1.00 1.00 S ATOM 0 H CYS A 16 2.018 4.299 -13.154 1.00 1.00 H new ATOM 0 HA CYS A 16 1.979 1.715 -14.598 1.00 1.00 H new ATOM 0 HB2 CYS A 16 -0.224 1.799 -14.555 1.00 1.00 H new ATOM 0 HB3 CYS A 16 0.014 2.902 -13.215 1.00 1.00 H new ATOM 250 N LEU A 17 1.589 2.855 -16.951 1.00 1.00 N ATOM 251 CA LEU A 17 1.970 3.315 -18.276 1.00 1.00 C ATOM 252 C LEU A 17 1.111 4.522 -18.659 1.00 1.00 C ATOM 253 O LEU A 17 0.693 5.291 -17.794 1.00 1.00 O ATOM 254 CB LEU A 17 1.899 2.166 -19.283 1.00 1.00 C ATOM 255 CG LEU A 17 2.509 0.837 -18.829 1.00 1.00 C ATOM 256 CD1 LEU A 17 2.448 -0.205 -19.947 1.00 1.00 C ATOM 257 CD2 LEU A 17 3.935 1.038 -18.310 1.00 1.00 C ATOM 0 H LEU A 17 0.958 2.053 -16.943 1.00 1.00 H new ATOM 0 HA LEU A 17 3.008 3.648 -18.280 1.00 1.00 H new ATOM 0 HB2 LEU A 17 0.853 1.995 -19.536 1.00 1.00 H new ATOM 0 HB3 LEU A 17 2.401 2.480 -20.198 1.00 1.00 H new ATOM 0 HG LEU A 17 1.915 0.454 -18.000 1.00 1.00 H new ATOM 0 HD11 LEU A 17 2.888 -1.139 -19.598 1.00 1.00 H new ATOM 0 HD12 LEU A 17 1.409 -0.376 -20.229 1.00 1.00 H new ATOM 0 HD13 LEU A 17 3.004 0.157 -20.812 1.00 1.00 H new ATOM 0 HD21 LEU A 17 4.346 0.079 -17.994 1.00 1.00 H new ATOM 0 HD22 LEU A 17 4.556 1.455 -19.103 1.00 1.00 H new ATOM 0 HD23 LEU A 17 3.921 1.724 -17.463 1.00 1.00 H new ATOM 269 N LYS A 18 0.871 4.650 -19.956 1.00 1.00 N ATOM 270 CA LYS A 18 0.173 5.813 -20.477 1.00 1.00 C ATOM 271 C LYS A 18 -1.119 6.024 -19.684 1.00 1.00 C ATOM 272 O LYS A 18 -1.923 5.103 -19.547 1.00 1.00 O ATOM 273 CB LYS A 18 -0.045 5.675 -21.984 1.00 1.00 C ATOM 274 CG LYS A 18 -0.525 6.996 -22.592 1.00 1.00 C ATOM 275 CD LYS A 18 -1.438 6.747 -23.794 1.00 1.00 C ATOM 276 CE LYS A 18 -2.867 6.437 -23.342 1.00 1.00 C ATOM 277 NZ LYS A 18 -3.502 5.466 -24.261 1.00 1.00 N ATOM 0 H LYS A 18 1.148 3.967 -20.661 1.00 1.00 H new ATOM 0 HA LYS A 18 0.777 6.711 -20.347 1.00 1.00 H new ATOM 0 HB2 LYS A 18 0.884 5.367 -22.463 1.00 1.00 H new ATOM 0 HB3 LYS A 18 -0.779 4.893 -22.179 1.00 1.00 H new ATOM 0 HG2 LYS A 18 -1.060 7.574 -21.838 1.00 1.00 H new ATOM 0 HG3 LYS A 18 0.334 7.592 -22.901 1.00 1.00 H new ATOM 0 HD2 LYS A 18 -1.440 7.624 -24.442 1.00 1.00 H new ATOM 0 HD3 LYS A 18 -1.051 5.916 -24.383 1.00 1.00 H new ATOM 0 HE2 LYS A 18 -2.855 6.034 -22.329 1.00 1.00 H new ATOM 0 HE3 LYS A 18 -3.453 7.356 -23.313 1.00 1.00 H new ATOM 0 HZ1 LYS A 18 -4.465 5.254 -23.930 1.00 1.00 H new ATOM 0 HZ2 LYS A 18 -3.546 5.871 -25.218 1.00 1.00 H new ATOM 0 HZ3 LYS A 18 -2.942 4.590 -24.281 1.00 1.00 H new ATOM 291 N LEU A 19 -1.277 7.240 -19.185 1.00 1.00 N ATOM 292 CA LEU A 19 -2.411 7.558 -18.334 1.00 1.00 C ATOM 293 C LEU A 19 -3.707 7.360 -19.122 1.00 1.00 C ATOM 294 O LEU A 19 -3.730 7.537 -20.339 1.00 1.00 O ATOM 295 CB LEU A 19 -2.260 8.961 -17.741 1.00 1.00 C ATOM 296 CG LEU A 19 -2.424 10.124 -18.722 1.00 1.00 C ATOM 297 CD1 LEU A 19 -3.825 10.730 -18.624 1.00 1.00 C ATOM 298 CD2 LEU A 19 -1.330 11.173 -18.516 1.00 1.00 C ATOM 0 H LEU A 19 -0.639 8.018 -19.353 1.00 1.00 H new ATOM 0 HA LEU A 19 -2.449 6.879 -17.482 1.00 1.00 H new ATOM 0 HB2 LEU A 19 -2.994 9.078 -16.943 1.00 1.00 H new ATOM 0 HB3 LEU A 19 -1.275 9.036 -17.281 1.00 1.00 H new ATOM 0 HG LEU A 19 -2.311 9.736 -19.734 1.00 1.00 H new ATOM 0 HD11 LEU A 19 -3.915 11.554 -19.331 1.00 1.00 H new ATOM 0 HD12 LEU A 19 -4.568 9.968 -18.858 1.00 1.00 H new ATOM 0 HD13 LEU A 19 -3.991 11.100 -17.612 1.00 1.00 H new ATOM 0 HD21 LEU A 19 -1.470 11.989 -19.226 1.00 1.00 H new ATOM 0 HD22 LEU A 19 -1.386 11.563 -17.500 1.00 1.00 H new ATOM 0 HD23 LEU A 19 -0.353 10.716 -18.676 1.00 1.00 H new ATOM 310 N GLY A 20 -4.754 6.995 -18.396 1.00 1.00 N ATOM 311 CA GLY A 20 -6.041 6.732 -19.018 1.00 1.00 C ATOM 312 C GLY A 20 -6.279 5.229 -19.171 1.00 1.00 C ATOM 313 O GLY A 20 -7.340 4.725 -18.807 1.00 1.00 O ATOM 0 H GLY A 20 -4.737 6.875 -17.383 1.00 1.00 H new ATOM 0 HA2 GLY A 20 -6.836 7.170 -18.415 1.00 1.00 H new ATOM 0 HA3 GLY A 20 -6.081 7.212 -19.996 1.00 1.00 H new ATOM 317 N ASP A 21 -5.274 4.554 -19.710 1.00 1.00 N ATOM 318 CA ASP A 21 -5.436 3.170 -20.120 1.00 1.00 C ATOM 319 C ASP A 21 -5.529 2.282 -18.878 1.00 1.00 C ATOM 320 O ASP A 21 -4.509 1.919 -18.293 1.00 1.00 O ATOM 321 CB ASP A 21 -4.241 2.698 -20.951 1.00 1.00 C ATOM 322 CG ASP A 21 -4.063 3.411 -22.292 1.00 1.00 C ATOM 323 OD1 ASP A 21 -5.039 4.065 -22.720 1.00 1.00 O ATOM 324 OD2 ASP A 21 -2.956 3.287 -22.858 1.00 1.00 O ATOM 0 H ASP A 21 -4.344 4.941 -19.872 1.00 1.00 H new ATOM 0 HA ASP A 21 -6.343 3.100 -20.721 1.00 1.00 H new ATOM 0 HB2 ASP A 21 -3.333 2.832 -20.363 1.00 1.00 H new ATOM 0 HB3 ASP A 21 -4.346 1.629 -21.136 1.00 1.00 H new ATOM 329 N ASN A 22 -6.760 1.958 -18.511 1.00 1.00 N ATOM 330 CA ASN A 22 -7.008 1.237 -17.274 1.00 1.00 C ATOM 331 C ASN A 22 -6.944 -0.267 -17.544 1.00 1.00 C ATOM 332 O ASN A 22 -7.748 -1.031 -17.013 1.00 1.00 O ATOM 333 CB ASN A 22 -8.396 1.561 -16.717 1.00 1.00 C ATOM 334 CG ASN A 22 -9.480 1.302 -17.765 1.00 1.00 C ATOM 335 OD1 ASN A 22 -9.794 2.144 -18.591 1.00 1.00 O ATOM 336 ND2 ASN A 22 -10.033 0.095 -17.687 1.00 1.00 N ATOM 0 H ASN A 22 -7.597 2.182 -19.049 1.00 1.00 H new ATOM 0 HA ASN A 22 -6.251 1.537 -16.550 1.00 1.00 H new ATOM 0 HB2 ASN A 22 -8.588 0.954 -15.832 1.00 1.00 H new ATOM 0 HB3 ASN A 22 -8.431 2.604 -16.402 1.00 1.00 H new ATOM 0 HD21 ASN A 22 -10.767 -0.173 -18.343 1.00 1.00 H new ATOM 0 HD22 ASN A 22 -9.724 -0.562 -16.971 1.00 1.00 H new ATOM 343 N ASP A 23 -5.981 -0.648 -18.369 1.00 1.00 N ATOM 344 CA ASP A 23 -5.830 -2.040 -18.753 1.00 1.00 C ATOM 345 C ASP A 23 -4.627 -2.639 -18.022 1.00 1.00 C ATOM 346 O ASP A 23 -4.711 -3.738 -17.476 1.00 1.00 O ATOM 347 CB ASP A 23 -5.585 -2.175 -20.257 1.00 1.00 C ATOM 348 CG ASP A 23 -5.428 -3.611 -20.761 1.00 1.00 C ATOM 349 OD1 ASP A 23 -6.192 -4.471 -20.272 1.00 1.00 O ATOM 350 OD2 ASP A 23 -4.547 -3.816 -21.623 1.00 1.00 O ATOM 0 H ASP A 23 -5.296 -0.015 -18.783 1.00 1.00 H new ATOM 0 HA ASP A 23 -6.750 -2.563 -18.490 1.00 1.00 H new ATOM 0 HB2 ASP A 23 -6.415 -1.708 -20.788 1.00 1.00 H new ATOM 0 HB3 ASP A 23 -4.686 -1.615 -20.515 1.00 1.00 H new ATOM 355 N TYR A 24 -3.534 -1.890 -18.036 1.00 1.00 N ATOM 356 CA TYR A 24 -2.315 -2.333 -17.382 1.00 1.00 C ATOM 357 C TYR A 24 -2.448 -2.254 -15.860 1.00 1.00 C ATOM 358 O TYR A 24 -1.971 -3.133 -15.144 1.00 1.00 O ATOM 359 CB TYR A 24 -1.218 -1.369 -17.837 1.00 1.00 C ATOM 360 CG TYR A 24 -1.157 -1.167 -19.352 1.00 1.00 C ATOM 361 CD1 TYR A 24 -0.856 -2.229 -20.180 1.00 1.00 C ATOM 362 CD2 TYR A 24 -1.404 0.079 -19.893 1.00 1.00 C ATOM 363 CE1 TYR A 24 -0.798 -2.039 -21.605 1.00 1.00 C ATOM 364 CE2 TYR A 24 -1.347 0.271 -21.318 1.00 1.00 C ATOM 365 CZ TYR A 24 -1.047 -0.798 -22.105 1.00 1.00 C ATOM 366 OH TYR A 24 -0.994 -0.618 -23.451 1.00 1.00 O ATOM 0 H TYR A 24 -3.468 -0.979 -18.490 1.00 1.00 H new ATOM 0 HA TYR A 24 -2.096 -3.369 -17.641 1.00 1.00 H new ATOM 0 HB2 TYR A 24 -1.376 -0.403 -17.358 1.00 1.00 H new ATOM 0 HB3 TYR A 24 -0.254 -1.742 -17.491 1.00 1.00 H new ATOM 0 HD1 TYR A 24 -0.664 -3.204 -19.758 1.00 1.00 H new ATOM 0 HD2 TYR A 24 -1.640 0.911 -19.246 1.00 1.00 H new ATOM 0 HE1 TYR A 24 -0.562 -2.862 -22.263 1.00 1.00 H new ATOM 0 HE2 TYR A 24 -1.538 1.241 -21.753 1.00 1.00 H new ATOM 0 HH TYR A 24 -1.194 0.317 -23.664 1.00 1.00 H new ATOM 376 N CYS A 25 -3.098 -1.191 -15.410 1.00 1.00 N ATOM 377 CA CYS A 25 -3.394 -1.038 -13.995 1.00 1.00 C ATOM 378 C CYS A 25 -4.172 -2.272 -13.532 1.00 1.00 C ATOM 379 O CYS A 25 -3.784 -2.927 -12.565 1.00 1.00 O ATOM 380 CB CYS A 25 -4.161 0.257 -13.714 1.00 1.00 C ATOM 381 SG CYS A 25 -4.490 0.584 -11.945 1.00 1.00 S ATOM 0 H CYS A 25 -3.428 -0.427 -16.000 1.00 1.00 H new ATOM 0 HA CYS A 25 -2.464 -0.962 -13.432 1.00 1.00 H new ATOM 0 HB2 CYS A 25 -3.596 1.094 -14.125 1.00 1.00 H new ATOM 0 HB3 CYS A 25 -5.112 0.222 -14.246 1.00 1.00 H new ATOM 386 N LEU A 26 -5.255 -2.552 -14.242 1.00 1.00 N ATOM 387 CA LEU A 26 -6.077 -3.709 -13.929 1.00 1.00 C ATOM 388 C LEU A 26 -5.193 -4.956 -13.869 1.00 1.00 C ATOM 389 O LEU A 26 -5.149 -5.641 -12.848 1.00 1.00 O ATOM 390 CB LEU A 26 -7.237 -3.824 -14.920 1.00 1.00 C ATOM 391 CG LEU A 26 -8.617 -4.078 -14.309 1.00 1.00 C ATOM 392 CD1 LEU A 26 -9.721 -3.887 -15.350 1.00 1.00 C ATOM 393 CD2 LEU A 26 -8.681 -5.460 -13.655 1.00 1.00 C ATOM 0 H LEU A 26 -5.582 -1.998 -15.033 1.00 1.00 H new ATOM 0 HA LEU A 26 -6.536 -3.597 -12.947 1.00 1.00 H new ATOM 0 HB2 LEU A 26 -7.283 -2.904 -15.503 1.00 1.00 H new ATOM 0 HB3 LEU A 26 -7.015 -4.633 -15.617 1.00 1.00 H new ATOM 0 HG LEU A 26 -8.783 -3.341 -13.523 1.00 1.00 H new ATOM 0 HD11 LEU A 26 -10.691 -4.074 -14.890 1.00 1.00 H new ATOM 0 HD12 LEU A 26 -9.690 -2.866 -15.730 1.00 1.00 H new ATOM 0 HD13 LEU A 26 -9.570 -4.585 -16.173 1.00 1.00 H new ATOM 0 HD21 LEU A 26 -9.672 -5.615 -13.229 1.00 1.00 H new ATOM 0 HD22 LEU A 26 -8.484 -6.227 -14.404 1.00 1.00 H new ATOM 0 HD23 LEU A 26 -7.932 -5.524 -12.865 1.00 1.00 H new ATOM 405 N ARG A 27 -4.511 -5.214 -14.976 1.00 1.00 N ATOM 406 CA ARG A 27 -3.734 -6.433 -15.108 1.00 1.00 C ATOM 407 C ARG A 27 -2.757 -6.570 -13.939 1.00 1.00 C ATOM 408 O ARG A 27 -2.655 -7.634 -13.331 1.00 1.00 O ATOM 409 CB ARG A 27 -2.949 -6.446 -16.422 1.00 1.00 C ATOM 410 CG ARG A 27 -3.737 -7.158 -17.524 1.00 1.00 C ATOM 411 CD ARG A 27 -2.801 -7.700 -18.605 1.00 1.00 C ATOM 412 NE ARG A 27 -3.444 -7.594 -19.933 1.00 1.00 N ATOM 413 CZ ARG A 27 -3.566 -6.448 -20.619 1.00 1.00 C ATOM 414 NH1 ARG A 27 -3.010 -5.324 -20.150 1.00 1.00 N ATOM 415 NH2 ARG A 27 -4.246 -6.428 -21.774 1.00 1.00 N ATOM 0 H ARG A 27 -4.481 -4.599 -15.789 1.00 1.00 H new ATOM 0 HA ARG A 27 -4.431 -7.271 -15.104 1.00 1.00 H new ATOM 0 HB2 ARG A 27 -2.730 -5.423 -16.729 1.00 1.00 H new ATOM 0 HB3 ARG A 27 -1.992 -6.946 -16.273 1.00 1.00 H new ATOM 0 HG2 ARG A 27 -4.313 -7.977 -17.093 1.00 1.00 H new ATOM 0 HG3 ARG A 27 -4.451 -6.466 -17.970 1.00 1.00 H new ATOM 0 HD2 ARG A 27 -1.865 -7.142 -18.600 1.00 1.00 H new ATOM 0 HD3 ARG A 27 -2.553 -8.740 -18.394 1.00 1.00 H new ATOM 0 HE ARG A 27 -3.818 -8.445 -20.353 1.00 1.00 H new ATOM 0 HH11 ARG A 27 -2.493 -5.339 -19.271 1.00 1.00 H new ATOM 0 HH12 ARG A 27 -3.103 -4.453 -20.672 1.00 1.00 H new ATOM 0 HH21 ARG A 27 -4.670 -7.284 -22.131 1.00 1.00 H new ATOM 0 HH22 ARG A 27 -4.339 -5.557 -22.296 1.00 1.00 H new ATOM 429 N GLU A 28 -2.063 -5.477 -13.657 1.00 1.00 N ATOM 430 CA GLU A 28 -0.976 -5.507 -12.693 1.00 1.00 C ATOM 431 C GLU A 28 -1.511 -5.848 -11.302 1.00 1.00 C ATOM 432 O GLU A 28 -0.953 -6.697 -10.609 1.00 1.00 O ATOM 433 CB GLU A 28 -0.218 -4.178 -12.680 1.00 1.00 C ATOM 434 CG GLU A 28 0.757 -4.091 -13.855 1.00 1.00 C ATOM 435 CD GLU A 28 1.464 -2.735 -13.883 1.00 1.00 C ATOM 436 OE1 GLU A 28 0.854 -1.788 -14.427 1.00 1.00 O ATOM 437 OE2 GLU A 28 2.597 -2.673 -13.358 1.00 1.00 O ATOM 0 H GLU A 28 -2.233 -4.564 -14.080 1.00 1.00 H new ATOM 0 HA GLU A 28 -0.273 -6.285 -12.991 1.00 1.00 H new ATOM 0 HB2 GLU A 28 -0.926 -3.351 -12.729 1.00 1.00 H new ATOM 0 HB3 GLU A 28 0.328 -4.076 -11.742 1.00 1.00 H new ATOM 0 HG2 GLU A 28 1.496 -4.889 -13.779 1.00 1.00 H new ATOM 0 HG3 GLU A 28 0.219 -4.244 -14.791 1.00 1.00 H new ATOM 444 N CYS A 29 -2.586 -5.167 -10.933 1.00 1.00 N ATOM 445 CA CYS A 29 -3.181 -5.359 -9.621 1.00 1.00 C ATOM 446 C CYS A 29 -3.792 -6.761 -9.572 1.00 1.00 C ATOM 447 O CYS A 29 -3.900 -7.357 -8.501 1.00 1.00 O ATOM 448 CB CYS A 29 -4.213 -4.276 -9.302 1.00 1.00 C ATOM 449 SG CYS A 29 -3.613 -2.945 -8.199 1.00 1.00 S ATOM 0 H CYS A 29 -3.061 -4.481 -11.520 1.00 1.00 H new ATOM 0 HA CYS A 29 -2.411 -5.271 -8.854 1.00 1.00 H new ATOM 0 HB2 CYS A 29 -4.551 -3.829 -10.237 1.00 1.00 H new ATOM 0 HB3 CYS A 29 -5.082 -4.746 -8.841 1.00 1.00 H new ATOM 454 N LYS A 30 -4.174 -7.247 -10.744 1.00 1.00 N ATOM 455 CA LYS A 30 -4.757 -8.574 -10.849 1.00 1.00 C ATOM 456 C LYS A 30 -3.715 -9.618 -10.442 1.00 1.00 C ATOM 457 O LYS A 30 -3.994 -10.490 -9.620 1.00 1.00 O ATOM 458 CB LYS A 30 -5.335 -8.795 -12.248 1.00 1.00 C ATOM 459 CG LYS A 30 -6.631 -9.607 -12.185 1.00 1.00 C ATOM 460 CD LYS A 30 -7.853 -8.687 -12.170 1.00 1.00 C ATOM 461 CE LYS A 30 -9.141 -9.489 -11.970 1.00 1.00 C ATOM 462 NZ LYS A 30 -10.310 -8.584 -11.893 1.00 1.00 N ATOM 0 H LYS A 30 -4.091 -6.746 -11.629 1.00 1.00 H new ATOM 0 HA LYS A 30 -5.597 -8.677 -10.162 1.00 1.00 H new ATOM 0 HB2 LYS A 30 -5.528 -7.832 -12.722 1.00 1.00 H new ATOM 0 HB3 LYS A 30 -4.606 -9.315 -12.869 1.00 1.00 H new ATOM 0 HG2 LYS A 30 -6.686 -10.278 -13.043 1.00 1.00 H new ATOM 0 HG3 LYS A 30 -6.630 -10.231 -11.292 1.00 1.00 H new ATOM 0 HD2 LYS A 30 -7.750 -7.953 -11.371 1.00 1.00 H new ATOM 0 HD3 LYS A 30 -7.907 -8.133 -13.107 1.00 1.00 H new ATOM 0 HE2 LYS A 30 -9.271 -10.191 -12.794 1.00 1.00 H new ATOM 0 HE3 LYS A 30 -9.070 -10.080 -11.057 1.00 1.00 H new ATOM 0 HZ1 LYS A 30 -11.066 -9.040 -11.343 1.00 1.00 H new ATOM 0 HZ2 LYS A 30 -10.031 -7.696 -11.429 1.00 1.00 H new ATOM 0 HZ3 LYS A 30 -10.655 -8.380 -12.853 1.00 1.00 H new ATOM 476 N GLN A 31 -2.538 -9.495 -11.036 1.00 1.00 N ATOM 477 CA GLN A 31 -1.507 -10.506 -10.872 1.00 1.00 C ATOM 478 C GLN A 31 -0.407 -9.997 -9.939 1.00 1.00 C ATOM 479 O GLN A 31 0.778 -10.140 -10.235 1.00 1.00 O ATOM 480 CB GLN A 31 -0.929 -10.925 -12.225 1.00 1.00 C ATOM 481 CG GLN A 31 -2.015 -11.519 -13.125 1.00 1.00 C ATOM 482 CD GLN A 31 -1.445 -11.900 -14.493 1.00 1.00 C ATOM 483 OE1 GLN A 31 -1.634 -11.215 -15.485 1.00 1.00 O ATOM 484 NE2 GLN A 31 -0.740 -13.027 -14.491 1.00 1.00 N ATOM 0 H GLN A 31 -2.275 -8.710 -11.632 1.00 1.00 H new ATOM 0 HA GLN A 31 -1.960 -11.388 -10.419 1.00 1.00 H new ATOM 0 HB2 GLN A 31 -0.478 -10.062 -12.715 1.00 1.00 H new ATOM 0 HB3 GLN A 31 -0.136 -11.657 -12.075 1.00 1.00 H new ATOM 0 HG2 GLN A 31 -2.446 -12.400 -12.648 1.00 1.00 H new ATOM 0 HG3 GLN A 31 -2.822 -10.798 -13.251 1.00 1.00 H new ATOM 0 HE21 GLN A 31 -0.621 -13.552 -13.625 1.00 1.00 H new ATOM 0 HE22 GLN A 31 -0.318 -13.366 -15.356 1.00 1.00 H new ATOM 493 N GLN A 32 -0.838 -9.414 -8.830 1.00 1.00 N ATOM 494 CA GLN A 32 0.018 -9.302 -7.662 1.00 1.00 C ATOM 495 C GLN A 32 -0.825 -9.067 -6.406 1.00 1.00 C ATOM 496 O GLN A 32 -0.538 -9.625 -5.348 1.00 1.00 O ATOM 497 CB GLN A 32 1.052 -8.189 -7.844 1.00 1.00 C ATOM 498 CG GLN A 32 0.397 -6.810 -7.744 1.00 1.00 C ATOM 499 CD GLN A 32 1.364 -5.710 -8.189 1.00 1.00 C ATOM 500 OE1 GLN A 32 2.041 -5.084 -7.392 1.00 1.00 O ATOM 501 NE2 GLN A 32 1.388 -5.512 -9.504 1.00 1.00 N ATOM 0 H GLN A 32 -1.769 -9.014 -8.716 1.00 1.00 H new ATOM 0 HA GLN A 32 0.560 -10.240 -7.542 1.00 1.00 H new ATOM 0 HB2 GLN A 32 1.829 -8.282 -7.085 1.00 1.00 H new ATOM 0 HB3 GLN A 32 1.539 -8.295 -8.814 1.00 1.00 H new ATOM 0 HG2 GLN A 32 -0.500 -6.783 -8.363 1.00 1.00 H new ATOM 0 HG3 GLN A 32 0.080 -6.627 -6.717 1.00 1.00 H new ATOM 0 HE21 GLN A 32 0.794 -6.073 -10.115 1.00 1.00 H new ATOM 0 HE22 GLN A 32 2.000 -4.800 -9.901 1.00 1.00 H new ATOM 510 N TYR A 33 -1.847 -8.239 -6.565 1.00 1.00 N ATOM 511 CA TYR A 33 -2.751 -7.947 -5.466 1.00 1.00 C ATOM 512 C TYR A 33 -4.091 -8.662 -5.653 1.00 1.00 C ATOM 513 O TYR A 33 -5.119 -8.199 -5.162 1.00 1.00 O ATOM 514 CB TYR A 33 -2.984 -6.434 -5.502 1.00 1.00 C ATOM 515 CG TYR A 33 -2.567 -5.711 -4.220 1.00 1.00 C ATOM 516 CD1 TYR A 33 -2.843 -6.271 -2.990 1.00 1.00 C ATOM 517 CD2 TYR A 33 -1.914 -4.497 -4.295 1.00 1.00 C ATOM 518 CE1 TYR A 33 -2.451 -5.589 -1.784 1.00 1.00 C ATOM 519 CE2 TYR A 33 -1.522 -3.815 -3.089 1.00 1.00 C ATOM 520 CZ TYR A 33 -1.809 -4.395 -1.893 1.00 1.00 C ATOM 521 OH TYR A 33 -1.438 -3.751 -0.754 1.00 1.00 O ATOM 0 H TYR A 33 -2.069 -7.761 -7.438 1.00 1.00 H new ATOM 0 HA TYR A 33 -2.326 -8.282 -4.520 1.00 1.00 H new ATOM 0 HB2 TYR A 33 -2.432 -6.011 -6.342 1.00 1.00 H new ATOM 0 HB3 TYR A 33 -4.041 -6.244 -5.687 1.00 1.00 H new ATOM 0 HD1 TYR A 33 -3.353 -7.221 -2.932 1.00 1.00 H new ATOM 0 HD2 TYR A 33 -1.697 -4.059 -5.258 1.00 1.00 H new ATOM 0 HE1 TYR A 33 -2.662 -6.016 -0.815 1.00 1.00 H new ATOM 0 HE2 TYR A 33 -1.012 -2.864 -3.133 1.00 1.00 H new ATOM 0 HH TYR A 33 -1.422 -2.784 -0.915 1.00 1.00 H new ATOM 531 N GLY A 34 -4.035 -9.778 -6.364 1.00 1.00 N ATOM 532 CA GLY A 34 -5.040 -10.815 -6.208 1.00 1.00 C ATOM 533 C GLY A 34 -5.947 -10.890 -7.438 1.00 1.00 C ATOM 534 O GLY A 34 -6.286 -9.864 -8.027 1.00 1.00 O ATOM 0 H GLY A 34 -3.309 -9.987 -7.050 1.00 1.00 H new ATOM 0 HA2 GLY A 34 -4.553 -11.778 -6.052 1.00 1.00 H new ATOM 0 HA3 GLY A 34 -5.640 -10.614 -5.321 1.00 1.00 H new ATOM 538 N LYS A 35 -6.316 -12.113 -7.789 1.00 1.00 N ATOM 539 CA LYS A 35 -7.178 -12.334 -8.937 1.00 1.00 C ATOM 540 C LYS A 35 -8.621 -11.989 -8.561 1.00 1.00 C ATOM 541 O LYS A 35 -9.484 -12.864 -8.534 1.00 1.00 O ATOM 542 CB LYS A 35 -7.005 -13.758 -9.471 1.00 1.00 C ATOM 543 CG LYS A 35 -5.576 -13.988 -9.967 1.00 1.00 C ATOM 544 CD LYS A 35 -5.469 -15.308 -10.735 1.00 1.00 C ATOM 545 CE LYS A 35 -5.629 -16.503 -9.794 1.00 1.00 C ATOM 546 NZ LYS A 35 -5.318 -17.765 -10.501 1.00 1.00 N ATOM 0 H LYS A 35 -6.034 -12.961 -7.298 1.00 1.00 H new ATOM 0 HA LYS A 35 -6.896 -11.674 -9.757 1.00 1.00 H new ATOM 0 HB2 LYS A 35 -7.241 -14.476 -8.685 1.00 1.00 H new ATOM 0 HB3 LYS A 35 -7.709 -13.933 -10.285 1.00 1.00 H new ATOM 0 HG2 LYS A 35 -5.273 -13.162 -10.611 1.00 1.00 H new ATOM 0 HG3 LYS A 35 -4.890 -13.999 -9.120 1.00 1.00 H new ATOM 0 HD2 LYS A 35 -6.235 -15.345 -11.510 1.00 1.00 H new ATOM 0 HD3 LYS A 35 -4.504 -15.363 -11.238 1.00 1.00 H new ATOM 0 HE2 LYS A 35 -4.968 -16.388 -8.935 1.00 1.00 H new ATOM 0 HE3 LYS A 35 -6.648 -16.537 -9.409 1.00 1.00 H new ATOM 0 HZ1 LYS A 35 -5.432 -18.566 -9.848 1.00 1.00 H new ATOM 0 HZ2 LYS A 35 -5.966 -17.880 -11.306 1.00 1.00 H new ATOM 0 HZ3 LYS A 35 -4.338 -17.737 -10.847 1.00 1.00 H new ATOM 560 N GLY A 36 -8.836 -10.712 -8.280 1.00 1.00 N ATOM 561 CA GLY A 36 -10.186 -10.185 -8.182 1.00 1.00 C ATOM 562 C GLY A 36 -10.170 -8.664 -8.019 1.00 1.00 C ATOM 563 O GLY A 36 -11.044 -8.097 -7.364 1.00 1.00 O ATOM 0 H GLY A 36 -8.098 -10.027 -8.117 1.00 1.00 H new ATOM 0 HA2 GLY A 36 -10.750 -10.453 -9.075 1.00 1.00 H new ATOM 0 HA3 GLY A 36 -10.697 -10.640 -7.334 1.00 1.00 H new ATOM 567 N ALA A 37 -9.167 -8.046 -8.625 1.00 1.00 N ATOM 568 CA ALA A 37 -8.847 -6.662 -8.321 1.00 1.00 C ATOM 569 C ALA A 37 -9.313 -5.770 -9.472 1.00 1.00 C ATOM 570 O ALA A 37 -9.756 -6.266 -10.507 1.00 1.00 O ATOM 571 CB ALA A 37 -7.346 -6.532 -8.053 1.00 1.00 C ATOM 0 H ALA A 37 -8.565 -8.479 -9.326 1.00 1.00 H new ATOM 0 HA ALA A 37 -9.368 -6.337 -7.421 1.00 1.00 H new ATOM 0 HB1 ALA A 37 -7.106 -5.494 -7.825 1.00 1.00 H new ATOM 0 HB2 ALA A 37 -7.072 -7.162 -7.207 1.00 1.00 H new ATOM 0 HB3 ALA A 37 -6.790 -6.848 -8.936 1.00 1.00 H new ATOM 577 N GLY A 38 -9.199 -4.468 -9.254 1.00 1.00 N ATOM 578 CA GLY A 38 -9.499 -3.505 -10.300 1.00 1.00 C ATOM 579 C GLY A 38 -8.855 -2.149 -9.998 1.00 1.00 C ATOM 580 O GLY A 38 -8.360 -1.925 -8.894 1.00 1.00 O ATOM 0 H GLY A 38 -8.903 -4.057 -8.368 1.00 1.00 H new ATOM 0 HA2 GLY A 38 -9.137 -3.878 -11.258 1.00 1.00 H new ATOM 0 HA3 GLY A 38 -10.579 -3.387 -10.392 1.00 1.00 H new ATOM 584 N GLY A 39 -8.883 -1.282 -10.998 1.00 1.00 N ATOM 585 CA GLY A 39 -8.137 -0.036 -10.930 1.00 1.00 C ATOM 586 C GLY A 39 -8.157 0.691 -12.276 1.00 1.00 C ATOM 587 O GLY A 39 -8.801 0.236 -13.220 1.00 1.00 O ATOM 0 H GLY A 39 -9.410 -1.417 -11.861 1.00 1.00 H new ATOM 0 HA2 GLY A 39 -8.564 0.606 -10.160 1.00 1.00 H new ATOM 0 HA3 GLY A 39 -7.107 -0.241 -10.639 1.00 1.00 H new ATOM 591 N TYR A 40 -7.446 1.807 -12.321 1.00 1.00 N ATOM 592 CA TYR A 40 -7.233 2.509 -13.574 1.00 1.00 C ATOM 593 C TYR A 40 -5.972 3.373 -13.512 1.00 1.00 C ATOM 594 O TYR A 40 -5.379 3.536 -12.446 1.00 1.00 O ATOM 595 CB TYR A 40 -8.451 3.418 -13.761 1.00 1.00 C ATOM 596 CG TYR A 40 -8.962 4.047 -12.463 1.00 1.00 C ATOM 597 CD1 TYR A 40 -8.295 5.119 -11.906 1.00 1.00 C ATOM 598 CD2 TYR A 40 -10.091 3.543 -11.850 1.00 1.00 C ATOM 599 CE1 TYR A 40 -8.776 5.710 -10.684 1.00 1.00 C ATOM 600 CE2 TYR A 40 -10.572 4.135 -10.628 1.00 1.00 C ATOM 601 CZ TYR A 40 -9.891 5.190 -10.106 1.00 1.00 C ATOM 602 OH TYR A 40 -10.346 5.748 -8.952 1.00 1.00 O ATOM 0 H TYR A 40 -7.010 2.243 -11.509 1.00 1.00 H new ATOM 0 HA TYR A 40 -7.109 1.801 -14.394 1.00 1.00 H new ATOM 0 HB2 TYR A 40 -8.195 4.213 -14.462 1.00 1.00 H new ATOM 0 HB3 TYR A 40 -9.256 2.841 -14.215 1.00 1.00 H new ATOM 0 HD1 TYR A 40 -7.412 5.515 -12.386 1.00 1.00 H new ATOM 0 HD2 TYR A 40 -10.614 2.705 -12.286 1.00 1.00 H new ATOM 0 HE1 TYR A 40 -8.262 6.548 -10.237 1.00 1.00 H new ATOM 0 HE2 TYR A 40 -11.454 3.750 -10.137 1.00 1.00 H new ATOM 0 HH TYR A 40 -9.783 5.458 -8.204 1.00 1.00 H new ATOM 612 N CYS A 41 -5.599 3.903 -14.667 1.00 1.00 N ATOM 613 CA CYS A 41 -4.328 4.596 -14.797 1.00 1.00 C ATOM 614 C CYS A 41 -4.585 6.099 -14.688 1.00 1.00 C ATOM 615 O CYS A 41 -5.180 6.697 -15.585 1.00 1.00 O ATOM 616 CB CYS A 41 -3.617 4.230 -16.102 1.00 1.00 C ATOM 617 SG CYS A 41 -2.331 2.937 -15.939 1.00 1.00 S ATOM 0 H CYS A 41 -6.154 3.867 -15.522 1.00 1.00 H new ATOM 0 HA CYS A 41 -3.658 4.286 -13.995 1.00 1.00 H new ATOM 0 HB2 CYS A 41 -4.362 3.893 -16.823 1.00 1.00 H new ATOM 0 HB3 CYS A 41 -3.158 5.129 -16.514 1.00 1.00 H new ATOM 622 N TYR A 42 -4.126 6.668 -13.584 1.00 1.00 N ATOM 623 CA TYR A 42 -3.949 8.108 -13.502 1.00 1.00 C ATOM 624 C TYR A 42 -2.621 8.535 -14.130 1.00 1.00 C ATOM 625 O TYR A 42 -1.945 7.729 -14.769 1.00 1.00 O ATOM 626 CB TYR A 42 -3.925 8.446 -12.010 1.00 1.00 C ATOM 627 CG TYR A 42 -5.223 9.069 -11.491 1.00 1.00 C ATOM 628 CD1 TYR A 42 -5.718 10.217 -12.075 1.00 1.00 C ATOM 629 CD2 TYR A 42 -5.898 8.482 -10.440 1.00 1.00 C ATOM 630 CE1 TYR A 42 -6.938 10.804 -11.588 1.00 1.00 C ATOM 631 CE2 TYR A 42 -7.119 9.069 -9.953 1.00 1.00 C ATOM 632 CZ TYR A 42 -7.579 10.201 -10.551 1.00 1.00 C ATOM 633 OH TYR A 42 -8.733 10.755 -10.090 1.00 1.00 O ATOM 0 H TYR A 42 -3.871 6.158 -12.738 1.00 1.00 H new ATOM 0 HA TYR A 42 -4.748 8.623 -14.035 1.00 1.00 H new ATOM 0 HB2 TYR A 42 -3.720 7.537 -11.445 1.00 1.00 H new ATOM 0 HB3 TYR A 42 -3.102 9.134 -11.817 1.00 1.00 H new ATOM 0 HD1 TYR A 42 -5.189 10.675 -12.898 1.00 1.00 H new ATOM 0 HD2 TYR A 42 -5.511 7.583 -9.983 1.00 1.00 H new ATOM 0 HE1 TYR A 42 -7.336 11.703 -12.036 1.00 1.00 H new ATOM 0 HE2 TYR A 42 -7.658 8.621 -9.131 1.00 1.00 H new ATOM 0 HH TYR A 42 -9.081 10.217 -9.348 1.00 1.00 H new ATOM 643 N ALA A 43 -2.285 9.800 -13.927 1.00 1.00 N ATOM 644 CA ALA A 43 -1.022 10.327 -14.413 1.00 1.00 C ATOM 645 C ALA A 43 0.120 9.436 -13.922 1.00 1.00 C ATOM 646 O ALA A 43 0.686 9.677 -12.856 1.00 1.00 O ATOM 647 CB ALA A 43 -0.865 11.780 -13.959 1.00 1.00 C ATOM 0 H ALA A 43 -2.866 10.476 -13.432 1.00 1.00 H new ATOM 0 HA ALA A 43 -0.999 10.322 -15.503 1.00 1.00 H new ATOM 0 HB1 ALA A 43 0.083 12.175 -14.324 1.00 1.00 H new ATOM 0 HB2 ALA A 43 -1.685 12.377 -14.359 1.00 1.00 H new ATOM 0 HB3 ALA A 43 -0.881 11.825 -12.870 1.00 1.00 H new ATOM 653 N PHE A 44 0.427 8.426 -14.721 1.00 1.00 N ATOM 654 CA PHE A 44 1.547 7.549 -14.424 1.00 1.00 C ATOM 655 C PHE A 44 1.456 7.008 -12.996 1.00 1.00 C ATOM 656 O PHE A 44 2.444 7.008 -12.264 1.00 1.00 O ATOM 657 CB PHE A 44 2.819 8.387 -14.560 1.00 1.00 C ATOM 658 CG PHE A 44 2.886 9.213 -15.846 1.00 1.00 C ATOM 659 CD1 PHE A 44 2.988 8.591 -17.050 1.00 1.00 C ATOM 660 CD2 PHE A 44 2.843 10.572 -15.784 1.00 1.00 C ATOM 661 CE1 PHE A 44 3.050 9.358 -18.243 1.00 1.00 C ATOM 662 CE2 PHE A 44 2.903 11.339 -16.976 1.00 1.00 C ATOM 663 CZ PHE A 44 3.006 10.716 -18.181 1.00 1.00 C ATOM 0 H PHE A 44 -0.081 8.195 -15.575 1.00 1.00 H new ATOM 0 HA PHE A 44 1.545 6.699 -15.106 1.00 1.00 H new ATOM 0 HB2 PHE A 44 2.892 9.059 -13.705 1.00 1.00 H new ATOM 0 HB3 PHE A 44 3.684 7.725 -14.520 1.00 1.00 H new ATOM 0 HD1 PHE A 44 3.022 7.513 -17.099 1.00 1.00 H new ATOM 0 HD2 PHE A 44 2.763 11.067 -14.827 1.00 1.00 H new ATOM 0 HE1 PHE A 44 3.132 8.863 -19.200 1.00 1.00 H new ATOM 0 HE2 PHE A 44 2.867 12.417 -16.927 1.00 1.00 H new ATOM 0 HZ PHE A 44 3.053 11.300 -19.088 1.00 1.00 H new ATOM 673 N ALA A 45 0.260 6.562 -12.641 1.00 1.00 N ATOM 674 CA ALA A 45 0.045 5.951 -11.340 1.00 1.00 C ATOM 675 C ALA A 45 -1.216 5.085 -11.390 1.00 1.00 C ATOM 676 O ALA A 45 -2.250 5.518 -11.895 1.00 1.00 O ATOM 677 CB ALA A 45 -0.040 7.043 -10.271 1.00 1.00 C ATOM 0 H ALA A 45 -0.570 6.611 -13.231 1.00 1.00 H new ATOM 0 HA ALA A 45 0.881 5.302 -11.078 1.00 1.00 H new ATOM 0 HB1 ALA A 45 -0.201 6.585 -9.295 1.00 1.00 H new ATOM 0 HB2 ALA A 45 0.890 7.611 -10.256 1.00 1.00 H new ATOM 0 HB3 ALA A 45 -0.870 7.712 -10.499 1.00 1.00 H new ATOM 683 N CYS A 46 -1.087 3.878 -10.858 1.00 1.00 N ATOM 684 CA CYS A 46 -2.176 2.917 -10.913 1.00 1.00 C ATOM 685 C CYS A 46 -2.965 3.011 -9.605 1.00 1.00 C ATOM 686 O CYS A 46 -2.533 2.492 -8.577 1.00 1.00 O ATOM 687 CB CYS A 46 -1.665 1.499 -11.172 1.00 1.00 C ATOM 688 SG CYS A 46 -2.894 0.175 -10.874 1.00 1.00 S ATOM 0 H CYS A 46 -0.246 3.544 -10.387 1.00 1.00 H new ATOM 0 HA CYS A 46 -2.833 3.154 -11.750 1.00 1.00 H new ATOM 0 HB2 CYS A 46 -1.324 1.434 -12.205 1.00 1.00 H new ATOM 0 HB3 CYS A 46 -0.797 1.319 -10.538 1.00 1.00 H new ATOM 693 N TRP A 47 -4.107 3.676 -9.687 1.00 1.00 N ATOM 694 CA TRP A 47 -5.040 3.702 -8.573 1.00 1.00 C ATOM 695 C TRP A 47 -5.908 2.445 -8.654 1.00 1.00 C ATOM 696 O TRP A 47 -6.641 2.253 -9.623 1.00 1.00 O ATOM 697 CB TRP A 47 -5.859 4.994 -8.573 1.00 1.00 C ATOM 698 CG TRP A 47 -6.916 5.062 -7.469 1.00 1.00 C ATOM 699 CD1 TRP A 47 -8.061 4.371 -7.380 1.00 1.00 C ATOM 700 CD2 TRP A 47 -6.878 5.897 -6.293 1.00 1.00 C ATOM 701 NE1 TRP A 47 -8.761 4.699 -6.238 1.00 1.00 N ATOM 702 CE2 TRP A 47 -8.019 5.657 -5.556 1.00 1.00 C ATOM 703 CE3 TRP A 47 -5.912 6.825 -5.866 1.00 1.00 C ATOM 704 CZ2 TRP A 47 -8.301 6.304 -4.346 1.00 1.00 C ATOM 705 CZ3 TRP A 47 -6.209 7.463 -4.657 1.00 1.00 C ATOM 706 CH2 TRP A 47 -7.354 7.233 -3.902 1.00 1.00 C ATOM 0 H TRP A 47 -4.408 4.201 -10.508 1.00 1.00 H new ATOM 0 HA TRP A 47 -4.506 3.696 -7.623 1.00 1.00 H new ATOM 0 HB2 TRP A 47 -5.182 5.841 -8.466 1.00 1.00 H new ATOM 0 HB3 TRP A 47 -6.351 5.100 -9.540 1.00 1.00 H new ATOM 0 HD1 TRP A 47 -8.394 3.648 -8.111 1.00 1.00 H new ATOM 0 HE1 TRP A 47 -9.658 4.310 -5.947 1.00 1.00 H new ATOM 0 HE3 TRP A 47 -5.012 7.029 -6.427 1.00 1.00 H new ATOM 0 HZ2 TRP A 47 -9.201 6.097 -3.786 1.00 1.00 H new ATOM 0 HZ3 TRP A 47 -5.499 8.186 -4.283 1.00 1.00 H new ATOM 0 HH2 TRP A 47 -7.511 7.769 -2.978 1.00 1.00 H new ATOM 717 N CYS A 48 -5.797 1.621 -7.623 1.00 1.00 N ATOM 718 CA CYS A 48 -6.538 0.371 -7.579 1.00 1.00 C ATOM 719 C CYS A 48 -7.603 0.483 -6.487 1.00 1.00 C ATOM 720 O CYS A 48 -7.383 1.130 -5.465 1.00 1.00 O ATOM 721 CB CYS A 48 -5.614 -0.827 -7.356 1.00 1.00 C ATOM 722 SG CYS A 48 -4.561 -1.264 -8.789 1.00 1.00 S ATOM 0 H CYS A 48 -5.205 1.794 -6.811 1.00 1.00 H new ATOM 0 HA CYS A 48 -7.022 0.198 -8.540 1.00 1.00 H new ATOM 0 HB2 CYS A 48 -4.971 -0.617 -6.501 1.00 1.00 H new ATOM 0 HB3 CYS A 48 -6.222 -1.693 -7.093 1.00 1.00 H new ATOM 727 N THR A 49 -8.734 -0.159 -6.741 1.00 1.00 N ATOM 728 CA THR A 49 -9.987 0.268 -6.143 1.00 1.00 C ATOM 729 C THR A 49 -10.967 -0.904 -6.062 1.00 1.00 C ATOM 730 O THR A 49 -12.020 -0.882 -6.698 1.00 1.00 O ATOM 731 CB THR A 49 -10.519 1.450 -6.956 1.00 1.00 C ATOM 732 OG1 THR A 49 -11.797 1.718 -6.385 1.00 1.00 O ATOM 733 CG2 THR A 49 -10.832 1.070 -8.405 1.00 1.00 C ATOM 0 H THR A 49 -8.808 -0.972 -7.353 1.00 1.00 H new ATOM 0 HA THR A 49 -9.842 0.600 -5.115 1.00 1.00 H new ATOM 0 HB THR A 49 -9.788 2.258 -6.942 1.00 1.00 H new ATOM 0 HG1 THR A 49 -12.386 0.947 -6.524 1.00 1.00 H new ATOM 0 HG21 THR A 49 -11.206 1.944 -8.938 1.00 1.00 H new ATOM 0 HG22 THR A 49 -9.925 0.710 -8.891 1.00 1.00 H new ATOM 0 HG23 THR A 49 -11.588 0.285 -8.420 1.00 1.00 H new ATOM 741 N HIS A 50 -10.586 -1.898 -5.274 1.00 1.00 N ATOM 742 CA HIS A 50 -11.292 -3.168 -5.277 1.00 1.00 C ATOM 743 C HIS A 50 -10.697 -4.089 -4.210 1.00 1.00 C ATOM 744 O HIS A 50 -10.682 -5.307 -4.375 1.00 1.00 O ATOM 745 CB HIS A 50 -11.280 -3.793 -6.673 1.00 1.00 C ATOM 746 CG HIS A 50 -12.654 -4.039 -7.249 1.00 1.00 C ATOM 747 ND1 HIS A 50 -13.585 -3.030 -7.425 1.00 1.00 N ATOM 748 CD2 HIS A 50 -13.244 -5.188 -7.688 1.00 1.00 C ATOM 749 CE1 HIS A 50 -14.682 -3.559 -7.945 1.00 1.00 C ATOM 750 NE2 HIS A 50 -14.469 -4.896 -8.107 1.00 1.00 N ATOM 0 H HIS A 50 -9.797 -1.850 -4.629 1.00 1.00 H new ATOM 0 HA HIS A 50 -12.340 -3.006 -5.024 1.00 1.00 H new ATOM 0 HB2 HIS A 50 -10.727 -3.140 -7.347 1.00 1.00 H new ATOM 0 HB3 HIS A 50 -10.740 -4.739 -6.631 1.00 1.00 H new ATOM 0 HD1 HIS A 50 -13.449 -2.046 -7.193 1.00 1.00 H new ATOM 0 HD2 HIS A 50 -12.791 -6.169 -7.694 1.00 1.00 H new ATOM 0 HE1 HIS A 50 -15.587 -3.025 -8.197 1.00 1.00 H new ATOM 758 N LEU A 51 -10.223 -3.470 -3.138 1.00 1.00 N ATOM 759 CA LEU A 51 -9.159 -4.060 -2.345 1.00 1.00 C ATOM 760 C LEU A 51 -9.669 -4.316 -0.925 1.00 1.00 C ATOM 761 O LEU A 51 -10.741 -3.843 -0.552 1.00 1.00 O ATOM 762 CB LEU A 51 -7.904 -3.186 -2.398 1.00 1.00 C ATOM 763 CG LEU A 51 -7.273 -3.003 -3.779 1.00 1.00 C ATOM 764 CD1 LEU A 51 -6.440 -1.721 -3.836 1.00 1.00 C ATOM 765 CD2 LEU A 51 -6.456 -4.235 -4.177 1.00 1.00 C ATOM 0 H LEU A 51 -10.556 -2.567 -2.801 1.00 1.00 H new ATOM 0 HA LEU A 51 -8.866 -5.025 -2.759 1.00 1.00 H new ATOM 0 HB2 LEU A 51 -8.153 -2.202 -2.001 1.00 1.00 H new ATOM 0 HB3 LEU A 51 -7.156 -3.618 -1.733 1.00 1.00 H new ATOM 0 HG LEU A 51 -8.075 -2.899 -4.509 1.00 1.00 H new ATOM 0 HD11 LEU A 51 -6.003 -1.615 -4.829 1.00 1.00 H new ATOM 0 HD12 LEU A 51 -7.079 -0.863 -3.627 1.00 1.00 H new ATOM 0 HD13 LEU A 51 -5.644 -1.771 -3.092 1.00 1.00 H new ATOM 0 HD21 LEU A 51 -6.018 -4.078 -5.163 1.00 1.00 H new ATOM 0 HD22 LEU A 51 -5.661 -4.395 -3.449 1.00 1.00 H new ATOM 0 HD23 LEU A 51 -7.106 -5.110 -4.203 1.00 1.00 H new ATOM 777 N TYR A 52 -8.877 -5.065 -0.172 1.00 1.00 N ATOM 778 CA TYR A 52 -9.260 -5.435 1.180 1.00 1.00 C ATOM 779 C TYR A 52 -8.402 -4.703 2.214 1.00 1.00 C ATOM 780 O TYR A 52 -7.521 -3.924 1.854 1.00 1.00 O ATOM 781 CB TYR A 52 -9.004 -6.940 1.294 1.00 1.00 C ATOM 782 CG TYR A 52 -8.034 -7.487 0.245 1.00 1.00 C ATOM 783 CD1 TYR A 52 -6.680 -7.520 0.508 1.00 1.00 C ATOM 784 CD2 TYR A 52 -8.514 -7.948 -0.964 1.00 1.00 C ATOM 785 CE1 TYR A 52 -5.767 -8.034 -0.480 1.00 1.00 C ATOM 786 CE2 TYR A 52 -7.601 -8.463 -1.952 1.00 1.00 C ATOM 787 CZ TYR A 52 -6.274 -8.481 -1.660 1.00 1.00 C ATOM 788 OH TYR A 52 -5.411 -8.968 -2.593 1.00 1.00 O ATOM 0 H TYR A 52 -7.972 -5.426 -0.473 1.00 1.00 H new ATOM 0 HA TYR A 52 -10.301 -5.172 1.369 1.00 1.00 H new ATOM 0 HB2 TYR A 52 -8.610 -7.157 2.287 1.00 1.00 H new ATOM 0 HB3 TYR A 52 -9.954 -7.467 1.206 1.00 1.00 H new ATOM 0 HD1 TYR A 52 -6.305 -7.160 1.455 1.00 1.00 H new ATOM 0 HD2 TYR A 52 -9.574 -7.923 -1.169 1.00 1.00 H new ATOM 0 HE1 TYR A 52 -4.705 -8.064 -0.288 1.00 1.00 H new ATOM 0 HE2 TYR A 52 -7.963 -8.826 -2.903 1.00 1.00 H new ATOM 0 HH TYR A 52 -5.550 -8.500 -3.443 1.00 1.00 H new ATOM 798 N GLU A 53 -8.688 -4.982 3.477 1.00 1.00 N ATOM 799 CA GLU A 53 -7.983 -4.326 4.566 1.00 1.00 C ATOM 800 C GLU A 53 -6.481 -4.602 4.467 1.00 1.00 C ATOM 801 O GLU A 53 -5.668 -3.777 4.881 1.00 1.00 O ATOM 802 CB GLU A 53 -8.534 -4.771 5.922 1.00 1.00 C ATOM 803 CG GLU A 53 -7.872 -3.996 7.063 1.00 1.00 C ATOM 804 CD GLU A 53 -8.575 -4.274 8.394 1.00 1.00 C ATOM 805 OE1 GLU A 53 -8.297 -5.348 8.969 1.00 1.00 O ATOM 806 OE2 GLU A 53 -9.374 -3.405 8.806 1.00 1.00 O ATOM 0 H GLU A 53 -9.398 -5.653 3.771 1.00 1.00 H new ATOM 0 HA GLU A 53 -8.142 -3.251 4.481 1.00 1.00 H new ATOM 0 HB2 GLU A 53 -9.612 -4.615 5.949 1.00 1.00 H new ATOM 0 HB3 GLU A 53 -8.363 -5.839 6.056 1.00 1.00 H new ATOM 0 HG2 GLU A 53 -6.821 -4.277 7.137 1.00 1.00 H new ATOM 0 HG3 GLU A 53 -7.902 -2.928 6.848 1.00 1.00 H new ATOM 813 N GLN A 54 -6.159 -5.764 3.917 1.00 1.00 N ATOM 814 CA GLN A 54 -4.769 -6.157 3.760 1.00 1.00 C ATOM 815 C GLN A 54 -4.248 -5.727 2.388 1.00 1.00 C ATOM 816 O GLN A 54 -3.387 -6.389 1.812 1.00 1.00 O ATOM 817 CB GLN A 54 -4.601 -7.665 3.962 1.00 1.00 C ATOM 818 CG GLN A 54 -4.676 -8.031 5.445 1.00 1.00 C ATOM 819 CD GLN A 54 -4.608 -9.546 5.641 1.00 1.00 C ATOM 820 OE1 GLN A 54 -4.300 -10.301 4.733 1.00 1.00 O ATOM 821 NE2 GLN A 54 -4.914 -9.948 6.871 1.00 1.00 N ATOM 0 H GLN A 54 -6.836 -6.445 3.575 1.00 1.00 H new ATOM 0 HA GLN A 54 -4.179 -5.652 4.525 1.00 1.00 H new ATOM 0 HB2 GLN A 54 -5.377 -8.198 3.413 1.00 1.00 H new ATOM 0 HB3 GLN A 54 -3.643 -7.986 3.553 1.00 1.00 H new ATOM 0 HG2 GLN A 54 -3.856 -7.554 5.983 1.00 1.00 H new ATOM 0 HG3 GLN A 54 -5.603 -7.647 5.871 1.00 1.00 H new ATOM 0 HE21 GLN A 54 -5.163 -9.263 7.584 1.00 1.00 H new ATOM 0 HE22 GLN A 54 -4.900 -10.942 7.101 1.00 1.00 H new ATOM 830 N ALA A 55 -4.790 -4.618 1.904 1.00 1.00 N ATOM 831 CA ALA A 55 -4.103 -3.824 0.902 1.00 1.00 C ATOM 832 C ALA A 55 -3.548 -2.556 1.554 1.00 1.00 C ATOM 833 O ALA A 55 -4.298 -1.775 2.139 1.00 1.00 O ATOM 834 CB ALA A 55 -5.060 -3.515 -0.251 1.00 1.00 C ATOM 0 H ALA A 55 -5.698 -4.251 2.189 1.00 1.00 H new ATOM 0 HA ALA A 55 -3.261 -4.377 0.487 1.00 1.00 H new ATOM 0 HB1 ALA A 55 -4.543 -2.919 -1.003 1.00 1.00 H new ATOM 0 HB2 ALA A 55 -5.402 -4.448 -0.700 1.00 1.00 H new ATOM 0 HB3 ALA A 55 -5.917 -2.958 0.127 1.00 1.00 H new ATOM 840 N ILE A 56 -2.239 -2.389 1.433 1.00 1.00 N ATOM 841 CA ILE A 56 -1.611 -1.124 1.772 1.00 1.00 C ATOM 842 C ILE A 56 -1.527 -0.249 0.519 1.00 1.00 C ATOM 843 O ILE A 56 -1.434 -0.762 -0.594 1.00 1.00 O ATOM 844 CB ILE A 56 -0.258 -1.362 2.447 1.00 1.00 C ATOM 845 CG1 ILE A 56 -0.418 -2.207 3.712 1.00 1.00 C ATOM 846 CG2 ILE A 56 0.454 -0.037 2.729 1.00 1.00 C ATOM 847 CD1 ILE A 56 0.875 -2.958 4.037 1.00 1.00 C ATOM 0 H ILE A 56 -1.596 -3.110 1.105 1.00 1.00 H new ATOM 0 HA ILE A 56 -2.214 -0.582 2.500 1.00 1.00 H new ATOM 0 HB ILE A 56 0.372 -1.927 1.760 1.00 1.00 H new ATOM 0 HG12 ILE A 56 -0.691 -1.566 4.550 1.00 1.00 H new ATOM 0 HG13 ILE A 56 -1.232 -2.919 3.577 1.00 1.00 H new ATOM 0 HG21 ILE A 56 1.413 -0.234 3.209 1.00 1.00 H new ATOM 0 HG22 ILE A 56 0.620 0.494 1.791 1.00 1.00 H new ATOM 0 HG23 ILE A 56 -0.163 0.574 3.388 1.00 1.00 H new ATOM 0 HD11 ILE A 56 0.734 -3.551 4.941 1.00 1.00 H new ATOM 0 HD12 ILE A 56 1.132 -3.617 3.207 1.00 1.00 H new ATOM 0 HD13 ILE A 56 1.682 -2.242 4.195 1.00 1.00 H new ATOM 859 N VAL A 57 -1.564 1.055 0.744 1.00 1.00 N ATOM 860 CA VAL A 57 -1.413 2.008 -0.343 1.00 1.00 C ATOM 861 C VAL A 57 -0.199 2.898 -0.072 1.00 1.00 C ATOM 862 O VAL A 57 0.111 3.195 1.080 1.00 1.00 O ATOM 863 CB VAL A 57 -2.708 2.801 -0.527 1.00 1.00 C ATOM 864 CG1 VAL A 57 -3.585 2.718 0.725 1.00 1.00 C ATOM 865 CG2 VAL A 57 -2.412 4.256 -0.893 1.00 1.00 C ATOM 0 H VAL A 57 -1.696 1.475 1.664 1.00 1.00 H new ATOM 0 HA VAL A 57 -1.230 1.488 -1.283 1.00 1.00 H new ATOM 0 HB VAL A 57 -3.260 2.353 -1.353 1.00 1.00 H new ATOM 0 HG11 VAL A 57 -4.499 3.290 0.567 1.00 1.00 H new ATOM 0 HG12 VAL A 57 -3.838 1.677 0.923 1.00 1.00 H new ATOM 0 HG13 VAL A 57 -3.043 3.128 1.577 1.00 1.00 H new ATOM 0 HG21 VAL A 57 -3.350 4.798 -1.018 1.00 1.00 H new ATOM 0 HG22 VAL A 57 -1.828 4.720 -0.098 1.00 1.00 H new ATOM 0 HG23 VAL A 57 -1.847 4.289 -1.824 1.00 1.00 H new ATOM 875 N TRP A 58 0.454 3.299 -1.153 1.00 1.00 N ATOM 876 CA TRP A 58 1.742 3.963 -1.045 1.00 1.00 C ATOM 877 C TRP A 58 1.564 5.199 -0.161 1.00 1.00 C ATOM 878 O TRP A 58 0.468 5.752 -0.075 1.00 1.00 O ATOM 879 CB TRP A 58 2.305 4.294 -2.429 1.00 1.00 C ATOM 880 CG TRP A 58 3.598 5.111 -2.395 1.00 1.00 C ATOM 881 CD1 TRP A 58 4.859 4.662 -2.445 1.00 1.00 C ATOM 882 CD2 TRP A 58 3.706 6.548 -2.301 1.00 1.00 C ATOM 883 NE1 TRP A 58 5.768 5.699 -2.390 1.00 1.00 N ATOM 884 CE2 TRP A 58 5.044 6.881 -2.300 1.00 1.00 C ATOM 885 CE3 TRP A 58 2.705 7.532 -2.219 1.00 1.00 C ATOM 886 CZ2 TRP A 58 5.505 8.201 -2.219 1.00 1.00 C ATOM 887 CZ3 TRP A 58 3.181 8.845 -2.139 1.00 1.00 C ATOM 888 CH2 TRP A 58 4.526 9.198 -2.137 1.00 1.00 C ATOM 0 H TRP A 58 0.115 3.177 -2.107 1.00 1.00 H new ATOM 0 HA TRP A 58 2.477 3.306 -0.581 1.00 1.00 H new ATOM 0 HB2 TRP A 58 2.489 3.364 -2.967 1.00 1.00 H new ATOM 0 HB3 TRP A 58 1.553 4.846 -2.993 1.00 1.00 H new ATOM 0 HD1 TRP A 58 5.130 3.619 -2.519 1.00 1.00 H new ATOM 0 HE1 TRP A 58 6.784 5.613 -2.411 1.00 1.00 H new ATOM 0 HE3 TRP A 58 1.652 7.293 -2.218 1.00 1.00 H new ATOM 0 HZ2 TRP A 58 6.559 8.437 -2.220 1.00 1.00 H new ATOM 0 HZ3 TRP A 58 2.453 9.640 -2.074 1.00 1.00 H new ATOM 0 HH2 TRP A 58 4.814 10.237 -2.072 1.00 1.00 H new ATOM 899 N PRO A 59 2.685 5.606 0.491 1.00 1.00 N ATOM 900 CA PRO A 59 3.834 4.727 0.624 1.00 1.00 C ATOM 901 C PRO A 59 3.577 3.644 1.672 1.00 1.00 C ATOM 902 O PRO A 59 2.443 3.454 2.108 1.00 1.00 O ATOM 903 CB PRO A 59 4.991 5.645 0.988 1.00 1.00 C ATOM 904 CG PRO A 59 4.360 6.929 1.499 1.00 1.00 C ATOM 905 CD PRO A 59 2.889 6.910 1.116 1.00 1.00 C ATOM 0 HA PRO A 59 4.052 4.177 -0.292 1.00 1.00 H new ATOM 0 HB2 PRO A 59 5.625 5.191 1.750 1.00 1.00 H new ATOM 0 HB3 PRO A 59 5.623 5.839 0.122 1.00 1.00 H new ATOM 0 HG2 PRO A 59 4.472 7.005 2.581 1.00 1.00 H new ATOM 0 HG3 PRO A 59 4.856 7.797 1.065 1.00 1.00 H new ATOM 0 HD2 PRO A 59 2.251 7.034 1.991 1.00 1.00 H new ATOM 0 HD3 PRO A 59 2.648 7.721 0.428 1.00 1.00 H new ATOM 913 N LEU A 60 4.650 2.962 2.048 1.00 1.00 N ATOM 914 CA LEU A 60 4.726 2.353 3.365 1.00 1.00 C ATOM 915 C LEU A 60 4.849 3.452 4.423 1.00 1.00 C ATOM 916 O LEU A 60 5.289 4.561 4.124 1.00 1.00 O ATOM 917 CB LEU A 60 5.857 1.324 3.414 1.00 1.00 C ATOM 918 CG LEU A 60 5.669 0.079 2.543 1.00 1.00 C ATOM 919 CD1 LEU A 60 4.187 -0.188 2.282 1.00 1.00 C ATOM 920 CD2 LEU A 60 6.468 0.195 1.243 1.00 1.00 C ATOM 0 H LEU A 60 5.473 2.818 1.463 1.00 1.00 H new ATOM 0 HA LEU A 60 3.812 1.800 3.583 1.00 1.00 H new ATOM 0 HB2 LEU A 60 6.783 1.816 3.115 1.00 1.00 H new ATOM 0 HB3 LEU A 60 5.986 1.004 4.448 1.00 1.00 H new ATOM 0 HG LEU A 60 6.060 -0.781 3.087 1.00 1.00 H new ATOM 0 HD11 LEU A 60 4.081 -1.078 1.661 1.00 1.00 H new ATOM 0 HD12 LEU A 60 3.673 -0.344 3.230 1.00 1.00 H new ATOM 0 HD13 LEU A 60 3.748 0.667 1.768 1.00 1.00 H new ATOM 0 HD21 LEU A 60 6.318 -0.702 0.642 1.00 1.00 H new ATOM 0 HD22 LEU A 60 6.129 1.067 0.684 1.00 1.00 H new ATOM 0 HD23 LEU A 60 7.527 0.302 1.475 1.00 1.00 H new ATOM 932 N PRO A 61 4.441 3.096 5.670 1.00 1.00 N ATOM 933 CA PRO A 61 4.648 3.978 6.806 1.00 1.00 C ATOM 934 C PRO A 61 6.114 3.971 7.245 1.00 1.00 C ATOM 935 O PRO A 61 6.727 5.026 7.391 1.00 1.00 O ATOM 936 CB PRO A 61 3.703 3.466 7.881 1.00 1.00 C ATOM 937 CG PRO A 61 3.344 2.045 7.477 1.00 1.00 C ATOM 938 CD PRO A 61 3.774 1.848 6.032 1.00 1.00 C ATOM 0 HA PRO A 61 4.435 5.021 6.573 1.00 1.00 H new ATOM 0 HB2 PRO A 61 4.179 3.485 8.861 1.00 1.00 H new ATOM 0 HB3 PRO A 61 2.812 4.090 7.947 1.00 1.00 H new ATOM 0 HG2 PRO A 61 3.844 1.326 8.126 1.00 1.00 H new ATOM 0 HG3 PRO A 61 2.272 1.877 7.582 1.00 1.00 H new ATOM 0 HD2 PRO A 61 4.446 0.996 5.932 1.00 1.00 H new ATOM 0 HD3 PRO A 61 2.917 1.655 5.387 1.00 1.00 H new ATOM 946 N ASN A 62 6.631 2.768 7.446 1.00 1.00 N ATOM 947 CA ASN A 62 7.810 2.590 8.277 1.00 1.00 C ATOM 948 C ASN A 62 9.039 2.412 7.381 1.00 1.00 C ATOM 949 O ASN A 62 10.134 2.139 7.870 1.00 1.00 O ATOM 950 CB ASN A 62 7.682 1.344 9.155 1.00 1.00 C ATOM 951 CG ASN A 62 7.506 0.086 8.301 1.00 1.00 C ATOM 952 OD1 ASN A 62 6.779 0.068 7.321 1.00 1.00 O ATOM 953 ND2 ASN A 62 8.209 -0.960 8.727 1.00 1.00 N ATOM 0 H ASN A 62 6.255 1.907 7.048 1.00 1.00 H new ATOM 0 HA ASN A 62 7.911 3.470 8.912 1.00 1.00 H new ATOM 0 HB2 ASN A 62 8.569 1.242 9.780 1.00 1.00 H new ATOM 0 HB3 ASN A 62 6.830 1.454 9.826 1.00 1.00 H new ATOM 0 HD21 ASN A 62 8.159 -1.847 8.225 1.00 1.00 H new ATOM 0 HD22 ASN A 62 8.798 -0.875 9.555 1.00 1.00 H new ATOM 960 N LYS A 63 8.815 2.574 6.085 1.00 1.00 N ATOM 961 CA LYS A 63 9.907 2.550 5.129 1.00 1.00 C ATOM 962 C LYS A 63 9.396 3.018 3.764 1.00 1.00 C ATOM 963 O LYS A 63 9.334 2.236 2.818 1.00 1.00 O ATOM 964 CB LYS A 63 10.562 1.167 5.097 1.00 1.00 C ATOM 965 CG LYS A 63 9.512 0.067 4.925 1.00 1.00 C ATOM 966 CD LYS A 63 10.174 -1.305 4.786 1.00 1.00 C ATOM 967 CE LYS A 63 9.202 -2.325 4.189 1.00 1.00 C ATOM 968 NZ LYS A 63 9.102 -2.149 2.723 1.00 1.00 N ATOM 0 H LYS A 63 7.893 2.722 5.675 1.00 1.00 H new ATOM 0 HA LYS A 63 10.692 3.243 5.432 1.00 1.00 H new ATOM 0 HB2 LYS A 63 11.281 1.120 4.279 1.00 1.00 H new ATOM 0 HB3 LYS A 63 11.118 1.003 6.020 1.00 1.00 H new ATOM 0 HG2 LYS A 63 8.839 0.065 5.782 1.00 1.00 H new ATOM 0 HG3 LYS A 63 8.905 0.273 4.043 1.00 1.00 H new ATOM 0 HD2 LYS A 63 11.057 -1.224 4.152 1.00 1.00 H new ATOM 0 HD3 LYS A 63 10.514 -1.649 5.763 1.00 1.00 H new ATOM 0 HE2 LYS A 63 9.540 -3.336 4.418 1.00 1.00 H new ATOM 0 HE3 LYS A 63 8.218 -2.208 4.643 1.00 1.00 H new ATOM 0 HZ1 LYS A 63 8.762 -3.031 2.290 1.00 1.00 H new ATOM 0 HZ2 LYS A 63 8.435 -1.380 2.510 1.00 1.00 H new ATOM 0 HZ3 LYS A 63 10.038 -1.912 2.337 1.00 1.00 H new ATOM 982 N ARG A 64 9.042 4.294 3.708 1.00 1.00 N ATOM 983 CA ARG A 64 8.849 4.961 2.431 1.00 1.00 C ATOM 984 C ARG A 64 10.186 5.107 1.702 1.00 1.00 C ATOM 985 O ARG A 64 11.246 4.915 2.297 1.00 1.00 O ATOM 986 CB ARG A 64 8.228 6.346 2.622 1.00 1.00 C ATOM 987 CG ARG A 64 9.117 7.231 3.497 1.00 1.00 C ATOM 988 CD ARG A 64 9.021 8.697 3.071 1.00 1.00 C ATOM 989 NE ARG A 64 9.491 8.851 1.677 1.00 1.00 N ATOM 990 CZ ARG A 64 8.724 9.289 0.669 1.00 1.00 C ATOM 991 NH1 ARG A 64 7.391 9.319 0.805 1.00 1.00 N ATOM 992 NH2 ARG A 64 9.289 9.699 -0.474 1.00 1.00 N ATOM 0 H ARG A 64 8.884 4.883 4.526 1.00 1.00 H new ATOM 0 HA ARG A 64 8.171 4.349 1.836 1.00 1.00 H new ATOM 0 HB2 ARG A 64 8.081 6.819 1.651 1.00 1.00 H new ATOM 0 HB3 ARG A 64 7.244 6.247 3.080 1.00 1.00 H new ATOM 0 HG2 ARG A 64 8.820 7.132 4.541 1.00 1.00 H new ATOM 0 HG3 ARG A 64 10.152 6.895 3.427 1.00 1.00 H new ATOM 0 HD2 ARG A 64 7.991 9.042 3.156 1.00 1.00 H new ATOM 0 HD3 ARG A 64 9.621 9.318 3.736 1.00 1.00 H new ATOM 0 HE ARG A 64 10.460 8.609 1.470 1.00 1.00 H new ATOM 0 HH11 ARG A 64 6.960 9.008 1.676 1.00 1.00 H new ATOM 0 HH12 ARG A 64 6.807 9.652 0.038 1.00 1.00 H new ATOM 0 HH21 ARG A 64 10.304 9.678 -0.578 1.00 1.00 H new ATOM 0 HH22 ARG A 64 8.705 10.032 -1.241 1.00 1.00 H new ATOM 1006 N CYS A 65 10.093 5.442 0.424 1.00 1.00 N ATOM 1007 CA CYS A 65 11.282 5.701 -0.371 1.00 1.00 C ATOM 1008 C CYS A 65 11.956 6.964 0.171 1.00 1.00 C ATOM 1009 O CYS A 65 11.469 8.072 -0.045 1.00 1.00 O ATOM 1010 CB CYS A 65 10.952 5.824 -1.859 1.00 1.00 C ATOM 1011 SG CYS A 65 11.653 4.503 -2.913 1.00 1.00 S ATOM 0 H CYS A 65 9.212 5.540 -0.081 1.00 1.00 H new ATOM 0 HA CYS A 65 11.969 4.859 -0.288 1.00 1.00 H new ATOM 0 HB2 CYS A 65 9.868 5.827 -1.977 1.00 1.00 H new ATOM 0 HB3 CYS A 65 11.315 6.787 -2.219 1.00 1.00 H new