USER MOD reduce.3.24.130724 H: found=0, std=0, add=498, rem=0, adj=15 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 Set 1.1: A 62 ASN : amide:sc= 0.294 K(o=0.86,f=-11!) USER MOD Set 1.2: A 63 LYS NZ :NH3+ -141:sc= 0.566 (180deg=0.478) USER MOD Single : A 1 LYS N :NH3+ -119:sc= 1.1 (180deg=-0.636) USER MOD Single : A 1 LYS NZ :NH3+ 171:sc= 2.3 (180deg=2.02) USER MOD Single : A 4 TYR OH : rot 17:sc= 0.504 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 ASN : amide:sc= -0.0229 X(o=-0.023,f=-0.21) USER MOD Single : A 10 THR OG1 : rot -74:sc= 0.094! USER MOD Single : A 13 LYS NZ :NH3+ 159:sc= 2.22 (180deg=0.8) USER MOD Single : A 14 TYR OH : rot 30:sc= -0.164 USER MOD Single : A 18 LYS NZ :NH3+ -97:sc= 1.01 (180deg=-0.511!) USER MOD Single : A 22 ASN : amide:sc= -0.241 X(o=-0.24,f=-0.11) USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= 0 K(o=0,f=-0.96) USER MOD Single : A 32 GLN : amide:sc= -3.27! C(o=-3.3!,f=-9.3!) USER MOD Single : A 33 TYR OH : rot 3:sc= 0.747 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 TYR OH : rot -57:sc= 0.306 USER MOD Single : A 42 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 THR OG1 : rot -59:sc= 1.17 USER MOD Single : A 50 HIS : no HD1:sc= -1.87 X(o=-1.9,f=-1.8) USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 GLN : amide:sc= -0.0438 X(o=-0.044,f=-0.03) USER MOD Single : A 66 SER OG : rot 56:sc= 1.16 USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 -10.806 0.170 1.214 1.00 1.00 N ATOM 2 CA LYS A 1 -9.768 1.084 1.659 1.00 1.00 C ATOM 3 C LYS A 1 -8.826 1.388 0.492 1.00 1.00 C ATOM 4 O LYS A 1 -7.650 1.031 0.530 1.00 1.00 O ATOM 5 CB LYS A 1 -9.056 0.526 2.894 1.00 1.00 C ATOM 6 CG LYS A 1 -8.302 1.629 3.637 1.00 1.00 C ATOM 7 CD LYS A 1 -7.401 1.041 4.725 1.00 1.00 C ATOM 8 CE LYS A 1 -6.030 0.667 4.158 1.00 1.00 C ATOM 9 NZ LYS A 1 -5.313 -0.236 5.088 1.00 1.00 N ATOM 0 H1 LYS A 1 -11.736 0.623 1.320 1.00 1.00 H new ATOM 0 H2 LYS A 1 -10.650 -0.072 0.215 1.00 1.00 H new ATOM 0 H3 LYS A 1 -10.775 -0.696 1.789 1.00 1.00 H new ATOM 0 HA LYS A 1 -10.205 2.032 1.972 1.00 1.00 H new ATOM 0 HB2 LYS A 1 -9.785 0.066 3.561 1.00 1.00 H new ATOM 0 HB3 LYS A 1 -8.360 -0.257 2.594 1.00 1.00 H new ATOM 0 HG2 LYS A 1 -7.700 2.201 2.931 1.00 1.00 H new ATOM 0 HG3 LYS A 1 -9.014 2.323 4.085 1.00 1.00 H new ATOM 0 HD2 LYS A 1 -7.280 1.764 5.532 1.00 1.00 H new ATOM 0 HD3 LYS A 1 -7.874 0.158 5.156 1.00 1.00 H new ATOM 0 HE2 LYS A 1 -6.151 0.181 3.190 1.00 1.00 H new ATOM 0 HE3 LYS A 1 -5.441 1.569 3.991 1.00 1.00 H new ATOM 0 HZ1 LYS A 1 -4.456 -0.601 4.626 1.00 1.00 H new ATOM 0 HZ2 LYS A 1 -5.047 0.289 5.945 1.00 1.00 H new ATOM 0 HZ3 LYS A 1 -5.932 -1.031 5.347 1.00 1.00 H new ATOM 25 N GLU A 2 -9.380 2.043 -0.517 1.00 1.00 N ATOM 26 CA GLU A 2 -8.799 1.996 -1.849 1.00 1.00 C ATOM 27 C GLU A 2 -7.861 3.186 -2.060 1.00 1.00 C ATOM 28 O GLU A 2 -7.976 4.202 -1.376 1.00 1.00 O ATOM 29 CB GLU A 2 -9.889 1.959 -2.922 1.00 1.00 C ATOM 30 CG GLU A 2 -10.939 0.895 -2.600 1.00 1.00 C ATOM 31 CD GLU A 2 -10.279 -0.448 -2.280 1.00 1.00 C ATOM 32 OE1 GLU A 2 -9.790 -1.083 -3.240 1.00 1.00 O ATOM 33 OE2 GLU A 2 -10.279 -0.808 -1.083 1.00 1.00 O ATOM 0 H GLU A 2 -10.225 2.609 -0.440 1.00 1.00 H new ATOM 0 HA GLU A 2 -8.217 1.079 -1.939 1.00 1.00 H new ATOM 0 HB2 GLU A 2 -10.367 2.936 -2.994 1.00 1.00 H new ATOM 0 HB3 GLU A 2 -9.441 1.751 -3.894 1.00 1.00 H new ATOM 0 HG2 GLU A 2 -11.542 1.219 -1.752 1.00 1.00 H new ATOM 0 HG3 GLU A 2 -11.616 0.779 -3.446 1.00 1.00 H new ATOM 40 N GLY A 3 -6.953 3.021 -3.011 1.00 1.00 N ATOM 41 CA GLY A 3 -5.978 4.058 -3.302 1.00 1.00 C ATOM 42 C GLY A 3 -4.918 3.555 -4.284 1.00 1.00 C ATOM 43 O GLY A 3 -5.082 2.497 -4.892 1.00 1.00 O ATOM 0 H GLY A 3 -6.872 2.185 -3.590 1.00 1.00 H new ATOM 0 HA2 GLY A 3 -6.482 4.929 -3.721 1.00 1.00 H new ATOM 0 HA3 GLY A 3 -5.499 4.381 -2.378 1.00 1.00 H new ATOM 47 N TYR A 4 -3.855 4.335 -4.410 1.00 1.00 N ATOM 48 CA TYR A 4 -2.736 3.946 -5.252 1.00 1.00 C ATOM 49 C TYR A 4 -1.862 2.901 -4.553 1.00 1.00 C ATOM 50 O TYR A 4 -1.113 3.229 -3.633 1.00 1.00 O ATOM 51 CB TYR A 4 -1.913 5.216 -5.474 1.00 1.00 C ATOM 52 CG TYR A 4 -2.704 6.369 -6.094 1.00 1.00 C ATOM 53 CD1 TYR A 4 -3.141 6.283 -7.400 1.00 1.00 C ATOM 54 CD2 TYR A 4 -2.982 7.496 -5.346 1.00 1.00 C ATOM 55 CE1 TYR A 4 -3.886 7.369 -7.983 1.00 1.00 C ATOM 56 CE2 TYR A 4 -3.727 8.581 -5.929 1.00 1.00 C ATOM 57 CZ TYR A 4 -4.142 8.464 -7.219 1.00 1.00 C ATOM 58 OH TYR A 4 -4.846 9.489 -7.770 1.00 1.00 O ATOM 0 H TYR A 4 -3.744 5.235 -3.943 1.00 1.00 H new ATOM 0 HA TYR A 4 -3.091 3.510 -6.186 1.00 1.00 H new ATOM 0 HB2 TYR A 4 -1.503 5.543 -4.518 1.00 1.00 H new ATOM 0 HB3 TYR A 4 -1.067 4.980 -6.120 1.00 1.00 H new ATOM 0 HD1 TYR A 4 -2.924 5.401 -7.985 1.00 1.00 H new ATOM 0 HD2 TYR A 4 -2.640 7.563 -4.324 1.00 1.00 H new ATOM 0 HE1 TYR A 4 -4.233 7.315 -9.004 1.00 1.00 H new ATOM 0 HE2 TYR A 4 -3.951 9.468 -5.355 1.00 1.00 H new ATOM 0 HH TYR A 4 -5.304 9.175 -8.578 1.00 1.00 H new ATOM 68 N LEU A 5 -1.987 1.666 -5.016 1.00 1.00 N ATOM 69 CA LEU A 5 -1.220 0.572 -4.444 1.00 1.00 C ATOM 70 C LEU A 5 0.264 0.947 -4.430 1.00 1.00 C ATOM 71 O LEU A 5 0.743 1.630 -5.334 1.00 1.00 O ATOM 72 CB LEU A 5 -1.518 -0.734 -5.183 1.00 1.00 C ATOM 73 CG LEU A 5 -0.717 -0.977 -6.464 1.00 1.00 C ATOM 74 CD1 LEU A 5 -0.877 -2.421 -6.945 1.00 1.00 C ATOM 75 CD2 LEU A 5 -1.097 0.033 -7.549 1.00 1.00 C ATOM 0 H LEU A 5 -2.607 1.399 -5.780 1.00 1.00 H new ATOM 0 HA LEU A 5 -1.515 0.400 -3.409 1.00 1.00 H new ATOM 0 HB2 LEU A 5 -1.335 -1.564 -4.501 1.00 1.00 H new ATOM 0 HB3 LEU A 5 -2.579 -0.754 -5.432 1.00 1.00 H new ATOM 0 HG LEU A 5 0.339 -0.827 -6.240 1.00 1.00 H new ATOM 0 HD11 LEU A 5 -0.298 -2.567 -7.857 1.00 1.00 H new ATOM 0 HD12 LEU A 5 -0.518 -3.103 -6.174 1.00 1.00 H new ATOM 0 HD13 LEU A 5 -1.929 -2.623 -7.147 1.00 1.00 H new ATOM 0 HD21 LEU A 5 -0.513 -0.162 -8.448 1.00 1.00 H new ATOM 0 HD22 LEU A 5 -2.159 -0.061 -7.778 1.00 1.00 H new ATOM 0 HD23 LEU A 5 -0.890 1.043 -7.194 1.00 1.00 H new ATOM 87 N VAL A 6 0.948 0.483 -3.395 1.00 1.00 N ATOM 88 CA VAL A 6 2.366 0.764 -3.250 1.00 1.00 C ATOM 89 C VAL A 6 3.162 -0.522 -3.483 1.00 1.00 C ATOM 90 O VAL A 6 2.645 -1.621 -3.291 1.00 1.00 O ATOM 91 CB VAL A 6 2.638 1.397 -1.884 1.00 1.00 C ATOM 92 CG1 VAL A 6 2.469 0.370 -0.761 1.00 1.00 C ATOM 93 CG2 VAL A 6 4.029 2.032 -1.840 1.00 1.00 C ATOM 0 H VAL A 6 0.547 -0.085 -2.649 1.00 1.00 H new ATOM 0 HA VAL A 6 2.691 1.488 -3.998 1.00 1.00 H new ATOM 0 HB VAL A 6 1.904 2.188 -1.730 1.00 1.00 H new ATOM 0 HG11 VAL A 6 2.668 0.845 0.200 1.00 1.00 H new ATOM 0 HG12 VAL A 6 1.450 -0.016 -0.771 1.00 1.00 H new ATOM 0 HG13 VAL A 6 3.169 -0.452 -0.911 1.00 1.00 H new ATOM 0 HG21 VAL A 6 4.196 2.474 -0.858 1.00 1.00 H new ATOM 0 HG22 VAL A 6 4.784 1.268 -2.027 1.00 1.00 H new ATOM 0 HG23 VAL A 6 4.100 2.807 -2.604 1.00 1.00 H new ATOM 103 N ASP A 7 4.409 -0.341 -3.895 1.00 1.00 N ATOM 104 CA ASP A 7 5.286 -1.473 -4.141 1.00 1.00 C ATOM 105 C ASP A 7 5.964 -1.882 -2.832 1.00 1.00 C ATOM 106 O ASP A 7 6.065 -1.081 -1.905 1.00 1.00 O ATOM 107 CB ASP A 7 6.381 -1.112 -5.147 1.00 1.00 C ATOM 108 CG ASP A 7 7.252 -2.285 -5.605 1.00 1.00 C ATOM 109 OD1 ASP A 7 6.795 -3.434 -5.424 1.00 1.00 O ATOM 110 OD2 ASP A 7 8.353 -2.005 -6.125 1.00 1.00 O ATOM 0 H ASP A 7 4.832 0.572 -4.064 1.00 1.00 H new ATOM 0 HA ASP A 7 4.682 -2.287 -4.541 1.00 1.00 H new ATOM 0 HB2 ASP A 7 5.914 -0.662 -6.023 1.00 1.00 H new ATOM 0 HB3 ASP A 7 7.025 -0.353 -4.703 1.00 1.00 H new ATOM 115 N LYS A 8 6.409 -3.130 -2.798 1.00 1.00 N ATOM 116 CA LYS A 8 7.238 -3.599 -1.701 1.00 1.00 C ATOM 117 C LYS A 8 8.688 -3.713 -2.175 1.00 1.00 C ATOM 118 O LYS A 8 9.618 -3.514 -1.394 1.00 1.00 O ATOM 119 CB LYS A 8 6.676 -4.900 -1.123 1.00 1.00 C ATOM 120 CG LYS A 8 6.360 -4.747 0.366 1.00 1.00 C ATOM 121 CD LYS A 8 7.642 -4.735 1.200 1.00 1.00 C ATOM 122 CE LYS A 8 7.323 -4.759 2.696 1.00 1.00 C ATOM 123 NZ LYS A 8 8.568 -4.859 3.491 1.00 1.00 N ATOM 0 H LYS A 8 6.211 -3.830 -3.513 1.00 1.00 H new ATOM 0 HA LYS A 8 7.226 -2.881 -0.881 1.00 1.00 H new ATOM 0 HB2 LYS A 8 5.772 -5.181 -1.663 1.00 1.00 H new ATOM 0 HB3 LYS A 8 7.396 -5.706 -1.265 1.00 1.00 H new ATOM 0 HG2 LYS A 8 5.806 -3.823 0.531 1.00 1.00 H new ATOM 0 HG3 LYS A 8 5.718 -5.566 0.691 1.00 1.00 H new ATOM 0 HD2 LYS A 8 8.256 -5.598 0.942 1.00 1.00 H new ATOM 0 HD3 LYS A 8 8.226 -3.846 0.963 1.00 1.00 H new ATOM 0 HE2 LYS A 8 6.780 -3.855 2.972 1.00 1.00 H new ATOM 0 HE3 LYS A 8 6.672 -5.604 2.921 1.00 1.00 H new ATOM 0 HZ1 LYS A 8 8.333 -4.874 4.504 1.00 1.00 H new ATOM 0 HZ2 LYS A 8 9.071 -5.734 3.239 1.00 1.00 H new ATOM 0 HZ3 LYS A 8 9.176 -4.040 3.289 1.00 1.00 H new ATOM 137 N ASN A 9 8.837 -4.032 -3.452 1.00 1.00 N ATOM 138 CA ASN A 9 10.142 -4.375 -3.991 1.00 1.00 C ATOM 139 C ASN A 9 11.092 -3.190 -3.809 1.00 1.00 C ATOM 140 O ASN A 9 12.051 -3.271 -3.043 1.00 1.00 O ATOM 141 CB ASN A 9 10.055 -4.686 -5.486 1.00 1.00 C ATOM 142 CG ASN A 9 10.274 -6.177 -5.750 1.00 1.00 C ATOM 143 OD1 ASN A 9 9.822 -7.037 -5.013 1.00 1.00 O ATOM 144 ND2 ASN A 9 10.992 -6.433 -6.840 1.00 1.00 N ATOM 0 H ASN A 9 8.075 -4.060 -4.130 1.00 1.00 H new ATOM 0 HA ASN A 9 10.506 -5.255 -3.460 1.00 1.00 H new ATOM 0 HB2 ASN A 9 9.079 -4.385 -5.867 1.00 1.00 H new ATOM 0 HB3 ASN A 9 10.802 -4.104 -6.026 1.00 1.00 H new ATOM 0 HD21 ASN A 9 11.194 -7.398 -7.103 1.00 1.00 H new ATOM 0 HD22 ASN A 9 11.340 -5.665 -7.413 1.00 1.00 H new ATOM 151 N THR A 10 10.792 -2.116 -4.524 1.00 1.00 N ATOM 152 CA THR A 10 11.538 -0.879 -4.366 1.00 1.00 C ATOM 153 C THR A 10 10.973 -0.061 -3.203 1.00 1.00 C ATOM 154 O THR A 10 11.700 0.699 -2.564 1.00 1.00 O ATOM 155 CB THR A 10 11.507 -0.135 -5.703 1.00 1.00 C ATOM 156 OG1 THR A 10 10.125 -0.105 -6.052 1.00 1.00 O ATOM 157 CG2 THR A 10 12.160 -0.934 -6.832 1.00 1.00 C ATOM 0 H THR A 10 10.042 -2.077 -5.214 1.00 1.00 H new ATOM 0 HA THR A 10 12.579 -1.075 -4.110 1.00 1.00 H new ATOM 0 HB THR A 10 12.014 0.824 -5.597 1.00 1.00 H new ATOM 0 HG1 THR A 10 9.842 -0.996 -6.345 1.00 1.00 H new ATOM 0 HG21 THR A 10 12.111 -0.361 -7.758 1.00 1.00 H new ATOM 0 HG22 THR A 10 13.202 -1.132 -6.582 1.00 1.00 H new ATOM 0 HG23 THR A 10 11.632 -1.879 -6.961 1.00 1.00 H new ATOM 165 N GLY A 11 9.684 -0.245 -2.962 1.00 1.00 N ATOM 166 CA GLY A 11 8.986 0.554 -1.969 1.00 1.00 C ATOM 167 C GLY A 11 8.646 1.940 -2.521 1.00 1.00 C ATOM 168 O GLY A 11 8.393 2.870 -1.758 1.00 1.00 O ATOM 0 H GLY A 11 9.104 -0.936 -3.437 1.00 1.00 H new ATOM 0 HA2 GLY A 11 8.071 0.045 -1.665 1.00 1.00 H new ATOM 0 HA3 GLY A 11 9.605 0.655 -1.078 1.00 1.00 H new ATOM 172 N CYS A 12 8.653 2.034 -3.842 1.00 1.00 N ATOM 173 CA CYS A 12 8.582 3.327 -4.501 1.00 1.00 C ATOM 174 C CYS A 12 7.166 3.508 -5.050 1.00 1.00 C ATOM 175 O CYS A 12 6.382 2.561 -5.084 1.00 1.00 O ATOM 176 CB CYS A 12 9.641 3.462 -5.596 1.00 1.00 C ATOM 177 SG CYS A 12 11.003 4.622 -5.207 1.00 1.00 S ATOM 0 H CYS A 12 8.707 1.236 -4.474 1.00 1.00 H new ATOM 0 HA CYS A 12 8.796 4.118 -3.782 1.00 1.00 H new ATOM 0 HB2 CYS A 12 10.066 2.478 -5.794 1.00 1.00 H new ATOM 0 HB3 CYS A 12 9.154 3.790 -6.514 1.00 1.00 H new ATOM 182 N LYS A 13 6.880 4.732 -5.469 1.00 1.00 N ATOM 183 CA LYS A 13 5.681 4.997 -6.246 1.00 1.00 C ATOM 184 C LYS A 13 5.730 4.186 -7.543 1.00 1.00 C ATOM 185 O LYS A 13 6.767 4.122 -8.200 1.00 1.00 O ATOM 186 CB LYS A 13 5.507 6.502 -6.468 1.00 1.00 C ATOM 187 CG LYS A 13 4.108 6.819 -6.995 1.00 1.00 C ATOM 188 CD LYS A 13 4.129 8.056 -7.896 1.00 1.00 C ATOM 189 CE LYS A 13 2.772 8.266 -8.573 1.00 1.00 C ATOM 190 NZ LYS A 13 2.835 9.400 -9.520 1.00 1.00 N ATOM 0 H LYS A 13 7.458 5.552 -5.285 1.00 1.00 H new ATOM 0 HA LYS A 13 4.794 4.674 -5.700 1.00 1.00 H new ATOM 0 HB2 LYS A 13 5.676 7.033 -5.531 1.00 1.00 H new ATOM 0 HB3 LYS A 13 6.256 6.858 -7.176 1.00 1.00 H new ATOM 0 HG2 LYS A 13 3.723 5.965 -7.553 1.00 1.00 H new ATOM 0 HG3 LYS A 13 3.429 6.985 -6.158 1.00 1.00 H new ATOM 0 HD2 LYS A 13 4.385 8.936 -7.306 1.00 1.00 H new ATOM 0 HD3 LYS A 13 4.904 7.945 -8.654 1.00 1.00 H new ATOM 0 HE2 LYS A 13 2.479 7.359 -9.102 1.00 1.00 H new ATOM 0 HE3 LYS A 13 2.008 8.456 -7.819 1.00 1.00 H new ATOM 0 HZ1 LYS A 13 2.063 9.318 -10.212 1.00 1.00 H new ATOM 0 HZ2 LYS A 13 2.738 10.294 -8.998 1.00 1.00 H new ATOM 0 HZ3 LYS A 13 3.749 9.387 -10.017 1.00 1.00 H new ATOM 204 N TYR A 14 4.595 3.588 -7.871 1.00 1.00 N ATOM 205 CA TYR A 14 4.483 2.818 -9.099 1.00 1.00 C ATOM 206 C TYR A 14 4.830 3.676 -10.318 1.00 1.00 C ATOM 207 O TYR A 14 5.592 3.250 -11.184 1.00 1.00 O ATOM 208 CB TYR A 14 3.017 2.387 -9.194 1.00 1.00 C ATOM 209 CG TYR A 14 2.766 0.940 -8.767 1.00 1.00 C ATOM 210 CD1 TYR A 14 3.238 0.487 -7.552 1.00 1.00 C ATOM 211 CD2 TYR A 14 2.066 0.088 -9.597 1.00 1.00 C ATOM 212 CE1 TYR A 14 3.001 -0.875 -7.150 1.00 1.00 C ATOM 213 CE2 TYR A 14 1.829 -1.275 -9.195 1.00 1.00 C ATOM 214 CZ TYR A 14 2.308 -1.689 -7.990 1.00 1.00 C ATOM 215 OH TYR A 14 2.084 -2.976 -7.611 1.00 1.00 O ATOM 0 H TYR A 14 3.745 3.621 -7.309 1.00 1.00 H new ATOM 0 HA TYR A 14 5.168 1.970 -9.085 1.00 1.00 H new ATOM 0 HB2 TYR A 14 2.413 3.048 -8.573 1.00 1.00 H new ATOM 0 HB3 TYR A 14 2.677 2.516 -10.221 1.00 1.00 H new ATOM 0 HD1 TYR A 14 3.785 1.154 -6.903 1.00 1.00 H new ATOM 0 HD2 TYR A 14 1.696 0.443 -10.548 1.00 1.00 H new ATOM 0 HE1 TYR A 14 3.366 -1.242 -6.202 1.00 1.00 H new ATOM 0 HE2 TYR A 14 1.284 -1.953 -9.835 1.00 1.00 H new ATOM 0 HH TYR A 14 2.029 -3.024 -6.634 1.00 1.00 H new ATOM 225 N GLU A 15 4.254 4.868 -10.345 1.00 1.00 N ATOM 226 CA GLU A 15 4.418 5.752 -11.487 1.00 1.00 C ATOM 227 C GLU A 15 3.829 5.111 -12.744 1.00 1.00 C ATOM 228 O GLU A 15 4.562 4.585 -13.579 1.00 1.00 O ATOM 229 CB GLU A 15 5.890 6.113 -11.695 1.00 1.00 C ATOM 230 CG GLU A 15 6.031 7.476 -12.373 1.00 1.00 C ATOM 231 CD GLU A 15 5.691 8.610 -11.402 1.00 1.00 C ATOM 232 OE1 GLU A 15 6.551 8.895 -10.540 1.00 1.00 O ATOM 233 OE2 GLU A 15 4.581 9.166 -11.544 1.00 1.00 O ATOM 0 H GLU A 15 3.673 5.243 -9.595 1.00 1.00 H new ATOM 0 HA GLU A 15 3.876 6.676 -11.286 1.00 1.00 H new ATOM 0 HB2 GLU A 15 6.404 6.126 -10.734 1.00 1.00 H new ATOM 0 HB3 GLU A 15 6.373 5.349 -12.304 1.00 1.00 H new ATOM 0 HG2 GLU A 15 7.050 7.600 -12.740 1.00 1.00 H new ATOM 0 HG3 GLU A 15 5.372 7.525 -13.240 1.00 1.00 H new ATOM 240 N CYS A 16 2.508 5.175 -12.839 1.00 1.00 N ATOM 241 CA CYS A 16 1.802 4.510 -13.921 1.00 1.00 C ATOM 242 C CYS A 16 2.147 5.223 -15.229 1.00 1.00 C ATOM 243 O CYS A 16 2.548 6.386 -15.220 1.00 1.00 O ATOM 244 CB CYS A 16 0.293 4.471 -13.673 1.00 1.00 C ATOM 245 SG CYS A 16 -0.645 3.387 -14.810 1.00 1.00 S ATOM 0 H CYS A 16 1.909 5.677 -12.184 1.00 1.00 H new ATOM 0 HA CYS A 16 2.120 3.469 -13.981 1.00 1.00 H new ATOM 0 HB2 CYS A 16 0.116 4.140 -12.650 1.00 1.00 H new ATOM 0 HB3 CYS A 16 -0.100 5.484 -13.753 1.00 1.00 H new ATOM 250 N LEU A 17 1.979 4.496 -16.325 1.00 1.00 N ATOM 251 CA LEU A 17 2.284 5.040 -17.638 1.00 1.00 C ATOM 252 C LEU A 17 1.255 6.116 -17.991 1.00 1.00 C ATOM 253 O LEU A 17 0.486 6.550 -17.135 1.00 1.00 O ATOM 254 CB LEU A 17 2.379 3.917 -18.672 1.00 1.00 C ATOM 255 CG LEU A 17 1.072 3.193 -18.999 1.00 1.00 C ATOM 256 CD1 LEU A 17 0.756 3.277 -20.495 1.00 1.00 C ATOM 257 CD2 LEU A 17 1.108 1.747 -18.502 1.00 1.00 C ATOM 0 H LEU A 17 1.636 3.535 -16.330 1.00 1.00 H new ATOM 0 HA LEU A 17 3.261 5.523 -17.634 1.00 1.00 H new ATOM 0 HB2 LEU A 17 2.781 4.334 -19.595 1.00 1.00 H new ATOM 0 HB3 LEU A 17 3.099 3.181 -18.314 1.00 1.00 H new ATOM 0 HG LEU A 17 0.262 3.696 -18.471 1.00 1.00 H new ATOM 0 HD11 LEU A 17 -0.178 2.754 -20.699 1.00 1.00 H new ATOM 0 HD12 LEU A 17 0.658 4.322 -20.788 1.00 1.00 H new ATOM 0 HD13 LEU A 17 1.563 2.814 -21.064 1.00 1.00 H new ATOM 0 HD21 LEU A 17 0.167 1.255 -18.747 1.00 1.00 H new ATOM 0 HD22 LEU A 17 1.931 1.217 -18.983 1.00 1.00 H new ATOM 0 HD23 LEU A 17 1.252 1.737 -17.422 1.00 1.00 H new ATOM 269 N LYS A 18 1.275 6.516 -19.254 1.00 1.00 N ATOM 270 CA LYS A 18 0.261 7.422 -19.767 1.00 1.00 C ATOM 271 C LYS A 18 -1.100 7.043 -19.181 1.00 1.00 C ATOM 272 O LYS A 18 -1.510 5.886 -19.252 1.00 1.00 O ATOM 273 CB LYS A 18 0.287 7.445 -21.297 1.00 1.00 C ATOM 274 CG LYS A 18 -0.965 8.119 -21.857 1.00 1.00 C ATOM 275 CD LYS A 18 -1.966 7.080 -22.369 1.00 1.00 C ATOM 276 CE LYS A 18 -3.188 7.755 -22.992 1.00 1.00 C ATOM 277 NZ LYS A 18 -4.202 6.746 -23.371 1.00 1.00 N ATOM 0 H LYS A 18 1.977 6.230 -19.937 1.00 1.00 H new ATOM 0 HA LYS A 18 0.470 8.444 -19.452 1.00 1.00 H new ATOM 0 HB2 LYS A 18 1.175 7.976 -21.641 1.00 1.00 H new ATOM 0 HB3 LYS A 18 0.357 6.426 -21.678 1.00 1.00 H new ATOM 0 HG2 LYS A 18 -1.432 8.728 -21.083 1.00 1.00 H new ATOM 0 HG3 LYS A 18 -0.688 8.792 -22.668 1.00 1.00 H new ATOM 0 HD2 LYS A 18 -1.484 6.439 -23.108 1.00 1.00 H new ATOM 0 HD3 LYS A 18 -2.281 6.438 -21.547 1.00 1.00 H new ATOM 0 HE2 LYS A 18 -3.619 8.464 -22.285 1.00 1.00 H new ATOM 0 HE3 LYS A 18 -2.887 8.325 -23.871 1.00 1.00 H new ATOM 0 HZ1 LYS A 18 -4.105 6.519 -24.381 1.00 1.00 H new ATOM 0 HZ2 LYS A 18 -4.061 5.884 -22.807 1.00 1.00 H new ATOM 0 HZ3 LYS A 18 -5.153 7.126 -23.192 1.00 1.00 H new ATOM 291 N LEU A 19 -1.764 8.041 -18.615 1.00 1.00 N ATOM 292 CA LEU A 19 -2.986 7.799 -17.869 1.00 1.00 C ATOM 293 C LEU A 19 -4.083 7.337 -18.831 1.00 1.00 C ATOM 294 O LEU A 19 -4.005 7.586 -20.033 1.00 1.00 O ATOM 295 CB LEU A 19 -3.368 9.033 -17.050 1.00 1.00 C ATOM 296 CG LEU A 19 -3.825 10.254 -17.849 1.00 1.00 C ATOM 297 CD1 LEU A 19 -5.311 10.534 -17.620 1.00 1.00 C ATOM 298 CD2 LEU A 19 -2.956 11.473 -17.533 1.00 1.00 C ATOM 0 H LEU A 19 -1.478 9.019 -18.659 1.00 1.00 H new ATOM 0 HA LEU A 19 -2.837 6.998 -17.145 1.00 1.00 H new ATOM 0 HB2 LEU A 19 -4.166 8.755 -16.362 1.00 1.00 H new ATOM 0 HB3 LEU A 19 -2.510 9.321 -16.443 1.00 1.00 H new ATOM 0 HG LEU A 19 -3.699 10.035 -18.909 1.00 1.00 H new ATOM 0 HD11 LEU A 19 -5.610 11.407 -18.200 1.00 1.00 H new ATOM 0 HD12 LEU A 19 -5.897 9.671 -17.936 1.00 1.00 H new ATOM 0 HD13 LEU A 19 -5.487 10.724 -16.561 1.00 1.00 H new ATOM 0 HD21 LEU A 19 -3.302 12.327 -18.115 1.00 1.00 H new ATOM 0 HD22 LEU A 19 -3.027 11.705 -16.470 1.00 1.00 H new ATOM 0 HD23 LEU A 19 -1.919 11.257 -17.789 1.00 1.00 H new ATOM 310 N GLY A 20 -5.080 6.671 -18.266 1.00 1.00 N ATOM 311 CA GLY A 20 -6.198 6.186 -19.056 1.00 1.00 C ATOM 312 C GLY A 20 -6.040 4.696 -19.373 1.00 1.00 C ATOM 313 O GLY A 20 -7.007 3.938 -19.309 1.00 1.00 O ATOM 0 H GLY A 20 -5.136 6.456 -17.270 1.00 1.00 H new ATOM 0 HA2 GLY A 20 -7.129 6.349 -18.514 1.00 1.00 H new ATOM 0 HA3 GLY A 20 -6.266 6.754 -19.984 1.00 1.00 H new ATOM 317 N ASP A 21 -4.814 4.322 -19.706 1.00 1.00 N ATOM 318 CA ASP A 21 -4.546 2.974 -20.179 1.00 1.00 C ATOM 319 C ASP A 21 -4.571 2.007 -18.993 1.00 1.00 C ATOM 320 O ASP A 21 -3.539 1.748 -18.377 1.00 1.00 O ATOM 321 CB ASP A 21 -3.166 2.884 -20.833 1.00 1.00 C ATOM 322 CG ASP A 21 -2.972 3.776 -22.060 1.00 1.00 C ATOM 323 OD1 ASP A 21 -3.969 4.414 -22.461 1.00 1.00 O ATOM 324 OD2 ASP A 21 -1.831 3.799 -22.571 1.00 1.00 O ATOM 0 H ASP A 21 -3.995 4.928 -19.658 1.00 1.00 H new ATOM 0 HA ASP A 21 -5.310 2.716 -20.912 1.00 1.00 H new ATOM 0 HB2 ASP A 21 -2.411 3.144 -20.091 1.00 1.00 H new ATOM 0 HB3 ASP A 21 -2.985 1.849 -21.123 1.00 1.00 H new ATOM 329 N ASN A 22 -5.763 1.501 -18.709 1.00 1.00 N ATOM 330 CA ASN A 22 -5.982 0.746 -17.487 1.00 1.00 C ATOM 331 C ASN A 22 -5.803 -0.746 -17.776 1.00 1.00 C ATOM 332 O ASN A 22 -6.665 -1.555 -17.433 1.00 1.00 O ATOM 333 CB ASN A 22 -7.402 0.958 -16.956 1.00 1.00 C ATOM 334 CG ASN A 22 -8.439 0.719 -18.055 1.00 1.00 C ATOM 335 OD1 ASN A 22 -8.964 -0.369 -18.223 1.00 1.00 O ATOM 336 ND2 ASN A 22 -8.703 1.794 -18.792 1.00 1.00 N ATOM 0 H ASN A 22 -6.586 1.599 -19.304 1.00 1.00 H new ATOM 0 HA ASN A 22 -5.264 1.091 -16.743 1.00 1.00 H new ATOM 0 HB2 ASN A 22 -7.587 0.281 -16.122 1.00 1.00 H new ATOM 0 HB3 ASN A 22 -7.502 1.973 -16.571 1.00 1.00 H new ATOM 0 HD21 ASN A 22 -9.381 1.737 -19.552 1.00 1.00 H new ATOM 0 HD22 ASN A 22 -8.227 2.675 -18.598 1.00 1.00 H new ATOM 343 N ASP A 23 -4.680 -1.065 -18.402 1.00 1.00 N ATOM 344 CA ASP A 23 -4.399 -2.438 -18.783 1.00 1.00 C ATOM 345 C ASP A 23 -3.346 -3.020 -17.838 1.00 1.00 C ATOM 346 O ASP A 23 -3.587 -4.030 -17.180 1.00 1.00 O ATOM 347 CB ASP A 23 -3.850 -2.514 -20.208 1.00 1.00 C ATOM 348 CG ASP A 23 -3.440 -3.913 -20.671 1.00 1.00 C ATOM 349 OD1 ASP A 23 -4.209 -4.855 -20.379 1.00 1.00 O ATOM 350 OD2 ASP A 23 -2.367 -4.010 -21.305 1.00 1.00 O ATOM 0 H ASP A 23 -3.953 -0.395 -18.655 1.00 1.00 H new ATOM 0 HA ASP A 23 -5.331 -3.000 -18.726 1.00 1.00 H new ATOM 0 HB2 ASP A 23 -4.605 -2.128 -20.893 1.00 1.00 H new ATOM 0 HB3 ASP A 23 -2.985 -1.855 -20.283 1.00 1.00 H new ATOM 355 N TYR A 24 -2.199 -2.357 -17.803 1.00 1.00 N ATOM 356 CA TYR A 24 -1.088 -2.826 -16.992 1.00 1.00 C ATOM 357 C TYR A 24 -1.352 -2.580 -15.506 1.00 1.00 C ATOM 358 O TYR A 24 -0.879 -3.333 -14.655 1.00 1.00 O ATOM 359 CB TYR A 24 0.127 -2.003 -17.425 1.00 1.00 C ATOM 360 CG TYR A 24 0.626 -2.325 -18.835 1.00 1.00 C ATOM 361 CD1 TYR A 24 1.476 -3.392 -19.040 1.00 1.00 C ATOM 362 CD2 TYR A 24 0.226 -1.548 -19.903 1.00 1.00 C ATOM 363 CE1 TYR A 24 1.946 -3.695 -20.367 1.00 1.00 C ATOM 364 CE2 TYR A 24 0.695 -1.850 -21.230 1.00 1.00 C ATOM 365 CZ TYR A 24 1.532 -2.909 -21.397 1.00 1.00 C ATOM 366 OH TYR A 24 1.975 -3.195 -22.650 1.00 1.00 O ATOM 0 H TYR A 24 -2.015 -1.499 -18.323 1.00 1.00 H new ATOM 0 HA TYR A 24 -0.938 -3.897 -17.129 1.00 1.00 H new ATOM 0 HB2 TYR A 24 -0.127 -0.944 -17.374 1.00 1.00 H new ATOM 0 HB3 TYR A 24 0.938 -2.171 -16.716 1.00 1.00 H new ATOM 0 HD1 TYR A 24 1.789 -4.001 -18.205 1.00 1.00 H new ATOM 0 HD2 TYR A 24 -0.440 -0.713 -19.743 1.00 1.00 H new ATOM 0 HE1 TYR A 24 2.612 -4.527 -20.540 1.00 1.00 H new ATOM 0 HE2 TYR A 24 0.389 -1.249 -22.074 1.00 1.00 H new ATOM 0 HH TYR A 24 1.597 -2.551 -23.285 1.00 1.00 H new ATOM 376 N CYS A 25 -2.104 -1.524 -15.238 1.00 1.00 N ATOM 377 CA CYS A 25 -2.608 -1.284 -13.896 1.00 1.00 C ATOM 378 C CYS A 25 -3.416 -2.509 -13.459 1.00 1.00 C ATOM 379 O CYS A 25 -3.141 -3.098 -12.416 1.00 1.00 O ATOM 380 CB CYS A 25 -3.435 0.001 -13.823 1.00 1.00 C ATOM 381 SG CYS A 25 -4.026 0.439 -12.147 1.00 1.00 S ATOM 0 H CYS A 25 -2.377 -0.824 -15.927 1.00 1.00 H new ATOM 0 HA CYS A 25 -1.772 -1.139 -13.212 1.00 1.00 H new ATOM 0 HB2 CYS A 25 -2.835 0.825 -14.208 1.00 1.00 H new ATOM 0 HB3 CYS A 25 -4.297 -0.101 -14.482 1.00 1.00 H new ATOM 386 N LEU A 26 -4.396 -2.853 -14.281 1.00 1.00 N ATOM 387 CA LEU A 26 -5.282 -3.961 -13.965 1.00 1.00 C ATOM 388 C LEU A 26 -4.452 -5.229 -13.750 1.00 1.00 C ATOM 389 O LEU A 26 -4.629 -5.929 -12.755 1.00 1.00 O ATOM 390 CB LEU A 26 -6.361 -4.107 -15.039 1.00 1.00 C ATOM 391 CG LEU A 26 -7.796 -4.268 -14.532 1.00 1.00 C ATOM 392 CD1 LEU A 26 -8.800 -4.136 -15.678 1.00 1.00 C ATOM 393 CD2 LEU A 26 -7.964 -5.585 -13.772 1.00 1.00 C ATOM 0 H LEU A 26 -4.596 -2.385 -15.165 1.00 1.00 H new ATOM 0 HA LEU A 26 -5.815 -3.768 -13.034 1.00 1.00 H new ATOM 0 HB2 LEU A 26 -6.322 -3.231 -15.686 1.00 1.00 H new ATOM 0 HB3 LEU A 26 -6.116 -4.971 -15.657 1.00 1.00 H new ATOM 0 HG LEU A 26 -8.002 -3.461 -13.828 1.00 1.00 H new ATOM 0 HD11 LEU A 26 -9.812 -4.254 -15.291 1.00 1.00 H new ATOM 0 HD12 LEU A 26 -8.700 -3.153 -16.138 1.00 1.00 H new ATOM 0 HD13 LEU A 26 -8.604 -4.907 -16.424 1.00 1.00 H new ATOM 0 HD21 LEU A 26 -8.993 -5.675 -13.422 1.00 1.00 H new ATOM 0 HD22 LEU A 26 -7.732 -6.419 -14.434 1.00 1.00 H new ATOM 0 HD23 LEU A 26 -7.288 -5.601 -12.917 1.00 1.00 H new ATOM 405 N ARG A 27 -3.563 -5.483 -14.699 1.00 1.00 N ATOM 406 CA ARG A 27 -2.768 -6.698 -14.673 1.00 1.00 C ATOM 407 C ARG A 27 -2.018 -6.813 -13.344 1.00 1.00 C ATOM 408 O ARG A 27 -2.085 -7.843 -12.676 1.00 1.00 O ATOM 409 CB ARG A 27 -1.760 -6.722 -15.824 1.00 1.00 C ATOM 410 CG ARG A 27 -2.414 -7.220 -17.115 1.00 1.00 C ATOM 411 CD ARG A 27 -1.390 -7.913 -18.015 1.00 1.00 C ATOM 412 NE ARG A 27 -1.809 -7.811 -19.431 1.00 1.00 N ATOM 413 CZ ARG A 27 -1.707 -6.694 -20.165 1.00 1.00 C ATOM 414 NH1 ARG A 27 -1.125 -5.603 -19.649 1.00 1.00 N ATOM 415 NH2 ARG A 27 -2.188 -6.669 -21.416 1.00 1.00 N ATOM 0 H ARG A 27 -3.376 -4.868 -15.491 1.00 1.00 H new ATOM 0 HA ARG A 27 -3.449 -7.542 -14.784 1.00 1.00 H new ATOM 0 HB2 ARG A 27 -1.356 -5.722 -15.979 1.00 1.00 H new ATOM 0 HB3 ARG A 27 -0.921 -7.368 -15.564 1.00 1.00 H new ATOM 0 HG2 ARG A 27 -3.220 -7.913 -16.875 1.00 1.00 H new ATOM 0 HG3 ARG A 27 -2.863 -6.381 -17.647 1.00 1.00 H new ATOM 0 HD2 ARG A 27 -0.409 -7.455 -17.884 1.00 1.00 H new ATOM 0 HD3 ARG A 27 -1.294 -8.961 -17.730 1.00 1.00 H new ATOM 0 HE ARG A 27 -2.199 -8.642 -19.876 1.00 1.00 H new ATOM 0 HH11 ARG A 27 -0.759 -5.622 -18.697 1.00 1.00 H new ATOM 0 HH12 ARG A 27 -1.048 -4.753 -20.208 1.00 1.00 H new ATOM 0 HH21 ARG A 27 -2.631 -7.500 -21.809 1.00 1.00 H new ATOM 0 HH22 ARG A 27 -2.111 -5.819 -21.975 1.00 1.00 H new ATOM 429 N GLU A 28 -1.319 -5.740 -13.002 1.00 1.00 N ATOM 430 CA GLU A 28 -0.443 -5.757 -11.843 1.00 1.00 C ATOM 431 C GLU A 28 -1.260 -5.935 -10.562 1.00 1.00 C ATOM 432 O GLU A 28 -0.924 -6.763 -9.716 1.00 1.00 O ATOM 433 CB GLU A 28 0.407 -4.487 -11.780 1.00 1.00 C ATOM 434 CG GLU A 28 1.725 -4.744 -11.047 1.00 1.00 C ATOM 435 CD GLU A 28 2.672 -5.587 -11.902 1.00 1.00 C ATOM 436 OE1 GLU A 28 3.279 -5.001 -12.825 1.00 1.00 O ATOM 437 OE2 GLU A 28 2.768 -6.800 -11.615 1.00 1.00 O ATOM 0 H GLU A 28 -1.342 -4.854 -13.507 1.00 1.00 H new ATOM 0 HA GLU A 28 0.236 -6.605 -11.937 1.00 1.00 H new ATOM 0 HB2 GLU A 28 0.612 -4.132 -12.790 1.00 1.00 H new ATOM 0 HB3 GLU A 28 -0.148 -3.699 -11.272 1.00 1.00 H new ATOM 0 HG2 GLU A 28 2.200 -3.794 -10.801 1.00 1.00 H new ATOM 0 HG3 GLU A 28 1.528 -5.255 -10.105 1.00 1.00 H new ATOM 444 N CYS A 29 -2.317 -5.143 -10.458 1.00 1.00 N ATOM 445 CA CYS A 29 -3.202 -5.222 -9.308 1.00 1.00 C ATOM 446 C CYS A 29 -3.677 -6.670 -9.168 1.00 1.00 C ATOM 447 O CYS A 29 -3.722 -7.208 -8.062 1.00 1.00 O ATOM 448 CB CYS A 29 -4.373 -4.246 -9.427 1.00 1.00 C ATOM 449 SG CYS A 29 -5.078 -3.695 -7.830 1.00 1.00 S ATOM 0 H CYS A 29 -2.581 -4.443 -11.152 1.00 1.00 H new ATOM 0 HA CYS A 29 -2.661 -4.929 -8.408 1.00 1.00 H new ATOM 0 HB2 CYS A 29 -4.042 -3.369 -9.984 1.00 1.00 H new ATOM 0 HB3 CYS A 29 -5.162 -4.717 -10.013 1.00 1.00 H new ATOM 454 N LYS A 30 -4.021 -7.259 -10.303 1.00 1.00 N ATOM 455 CA LYS A 30 -4.602 -8.591 -10.309 1.00 1.00 C ATOM 456 C LYS A 30 -3.553 -9.603 -9.847 1.00 1.00 C ATOM 457 O LYS A 30 -3.798 -10.377 -8.922 1.00 1.00 O ATOM 458 CB LYS A 30 -5.201 -8.908 -11.682 1.00 1.00 C ATOM 459 CG LYS A 30 -6.241 -10.025 -11.581 1.00 1.00 C ATOM 460 CD LYS A 30 -7.267 -9.923 -12.712 1.00 1.00 C ATOM 461 CE LYS A 30 -8.386 -8.946 -12.350 1.00 1.00 C ATOM 462 NZ LYS A 30 -9.391 -8.883 -13.436 1.00 1.00 N ATOM 0 H LYS A 30 -3.909 -6.839 -11.225 1.00 1.00 H new ATOM 0 HA LYS A 30 -5.431 -8.648 -9.604 1.00 1.00 H new ATOM 0 HB2 LYS A 30 -5.663 -8.012 -12.097 1.00 1.00 H new ATOM 0 HB3 LYS A 30 -4.408 -9.205 -12.369 1.00 1.00 H new ATOM 0 HG2 LYS A 30 -5.744 -10.994 -11.622 1.00 1.00 H new ATOM 0 HG3 LYS A 30 -6.749 -9.968 -10.618 1.00 1.00 H new ATOM 0 HD2 LYS A 30 -6.774 -9.594 -13.627 1.00 1.00 H new ATOM 0 HD3 LYS A 30 -7.690 -10.907 -12.914 1.00 1.00 H new ATOM 0 HE2 LYS A 30 -8.864 -9.259 -11.422 1.00 1.00 H new ATOM 0 HE3 LYS A 30 -7.969 -7.954 -12.175 1.00 1.00 H new ATOM 0 HZ1 LYS A 30 -10.144 -8.215 -13.174 1.00 1.00 H new ATOM 0 HZ2 LYS A 30 -8.934 -8.563 -14.314 1.00 1.00 H new ATOM 0 HZ3 LYS A 30 -9.802 -9.827 -13.584 1.00 1.00 H new ATOM 476 N GLN A 31 -2.408 -9.565 -10.511 1.00 1.00 N ATOM 477 CA GLN A 31 -1.349 -10.521 -10.231 1.00 1.00 C ATOM 478 C GLN A 31 -0.287 -9.887 -9.329 1.00 1.00 C ATOM 479 O GLN A 31 0.905 -9.968 -9.618 1.00 1.00 O ATOM 480 CB GLN A 31 -0.727 -11.044 -11.527 1.00 1.00 C ATOM 481 CG GLN A 31 -1.781 -11.710 -12.413 1.00 1.00 C ATOM 482 CD GLN A 31 -1.152 -12.266 -13.691 1.00 1.00 C ATOM 483 OE1 GLN A 31 0.054 -12.260 -13.873 1.00 1.00 O ATOM 484 NE2 GLN A 31 -2.034 -12.746 -14.564 1.00 1.00 N ATOM 0 H GLN A 31 -2.190 -8.888 -11.242 1.00 1.00 H new ATOM 0 HA GLN A 31 -1.783 -11.372 -9.706 1.00 1.00 H new ATOM 0 HB2 GLN A 31 -0.260 -10.221 -12.068 1.00 1.00 H new ATOM 0 HB3 GLN A 31 0.061 -11.760 -11.293 1.00 1.00 H new ATOM 0 HG2 GLN A 31 -2.267 -12.516 -11.863 1.00 1.00 H new ATOM 0 HG3 GLN A 31 -2.555 -10.987 -12.669 1.00 1.00 H new ATOM 0 HE21 GLN A 31 -3.031 -12.720 -14.349 1.00 1.00 H new ATOM 0 HE22 GLN A 31 -1.713 -13.140 -15.449 1.00 1.00 H new ATOM 493 N GLN A 32 -0.760 -9.271 -8.256 1.00 1.00 N ATOM 494 CA GLN A 32 0.115 -8.912 -7.153 1.00 1.00 C ATOM 495 C GLN A 32 -0.711 -8.554 -5.916 1.00 1.00 C ATOM 496 O GLN A 32 -0.284 -8.797 -4.788 1.00 1.00 O ATOM 497 CB GLN A 32 1.046 -7.763 -7.542 1.00 1.00 C ATOM 498 CG GLN A 32 0.435 -6.411 -7.169 1.00 1.00 C ATOM 499 CD GLN A 32 0.793 -6.025 -5.732 1.00 1.00 C ATOM 500 OE1 GLN A 32 -0.030 -6.055 -4.831 1.00 1.00 O ATOM 501 NE2 GLN A 32 2.062 -5.662 -5.569 1.00 1.00 N ATOM 0 H GLN A 32 -1.738 -9.011 -8.127 1.00 1.00 H new ATOM 0 HA GLN A 32 0.738 -9.774 -6.914 1.00 1.00 H new ATOM 0 HB2 GLN A 32 2.006 -7.883 -7.040 1.00 1.00 H new ATOM 0 HB3 GLN A 32 1.240 -7.795 -8.614 1.00 1.00 H new ATOM 0 HG2 GLN A 32 0.794 -5.644 -7.855 1.00 1.00 H new ATOM 0 HG3 GLN A 32 -0.649 -6.455 -7.278 1.00 1.00 H new ATOM 0 HE21 GLN A 32 2.698 -5.659 -6.366 1.00 1.00 H new ATOM 0 HE22 GLN A 32 2.399 -5.386 -4.647 1.00 1.00 H new ATOM 510 N TYR A 33 -1.878 -7.981 -6.168 1.00 1.00 N ATOM 511 CA TYR A 33 -2.846 -7.752 -5.108 1.00 1.00 C ATOM 512 C TYR A 33 -4.151 -8.502 -5.385 1.00 1.00 C ATOM 513 O TYR A 33 -5.235 -7.986 -5.119 1.00 1.00 O ATOM 514 CB TYR A 33 -3.125 -6.248 -5.109 1.00 1.00 C ATOM 515 CG TYR A 33 -2.824 -5.559 -3.777 1.00 1.00 C ATOM 516 CD1 TYR A 33 -3.302 -6.096 -2.599 1.00 1.00 C ATOM 517 CD2 TYR A 33 -2.075 -4.400 -3.753 1.00 1.00 C ATOM 518 CE1 TYR A 33 -3.018 -5.446 -1.345 1.00 1.00 C ATOM 519 CE2 TYR A 33 -1.792 -3.751 -2.500 1.00 1.00 C ATOM 520 CZ TYR A 33 -2.278 -4.306 -1.357 1.00 1.00 C ATOM 521 OH TYR A 33 -2.011 -3.693 -0.173 1.00 1.00 O ATOM 0 H TYR A 33 -2.176 -7.668 -7.092 1.00 1.00 H new ATOM 0 HA TYR A 33 -2.459 -8.104 -4.152 1.00 1.00 H new ATOM 0 HB2 TYR A 33 -2.529 -5.779 -5.892 1.00 1.00 H new ATOM 0 HB3 TYR A 33 -4.172 -6.083 -5.363 1.00 1.00 H new ATOM 0 HD1 TYR A 33 -3.888 -7.003 -2.617 1.00 1.00 H new ATOM 0 HD2 TYR A 33 -1.701 -3.980 -4.675 1.00 1.00 H new ATOM 0 HE1 TYR A 33 -3.385 -5.856 -0.416 1.00 1.00 H new ATOM 0 HE2 TYR A 33 -1.207 -2.844 -2.468 1.00 1.00 H new ATOM 0 HH TYR A 33 -2.380 -4.226 0.562 1.00 1.00 H new ATOM 531 N GLY A 34 -4.001 -9.708 -5.915 1.00 1.00 N ATOM 532 CA GLY A 34 -5.034 -10.720 -5.769 1.00 1.00 C ATOM 533 C GLY A 34 -5.802 -10.912 -7.079 1.00 1.00 C ATOM 534 O GLY A 34 -6.152 -9.939 -7.745 1.00 1.00 O ATOM 0 H GLY A 34 -3.182 -10.006 -6.445 1.00 1.00 H new ATOM 0 HA2 GLY A 34 -4.583 -11.665 -5.466 1.00 1.00 H new ATOM 0 HA3 GLY A 34 -5.725 -10.429 -4.978 1.00 1.00 H new ATOM 538 N LYS A 35 -6.042 -12.172 -7.408 1.00 1.00 N ATOM 539 CA LYS A 35 -6.562 -12.517 -8.721 1.00 1.00 C ATOM 540 C LYS A 35 -8.064 -12.230 -8.760 1.00 1.00 C ATOM 541 O LYS A 35 -8.871 -13.147 -8.904 1.00 1.00 O ATOM 542 CB LYS A 35 -6.202 -13.961 -9.077 1.00 1.00 C ATOM 543 CG LYS A 35 -4.687 -14.134 -9.196 1.00 1.00 C ATOM 544 CD LYS A 35 -4.336 -15.495 -9.802 1.00 1.00 C ATOM 545 CE LYS A 35 -4.621 -16.626 -8.812 1.00 1.00 C ATOM 546 NZ LYS A 35 -4.113 -17.913 -9.337 1.00 1.00 N ATOM 0 H LYS A 35 -5.886 -12.967 -6.789 1.00 1.00 H new ATOM 0 HA LYS A 35 -6.098 -11.899 -9.490 1.00 1.00 H new ATOM 0 HB2 LYS A 35 -6.590 -14.635 -8.313 1.00 1.00 H new ATOM 0 HB3 LYS A 35 -6.678 -14.237 -10.018 1.00 1.00 H new ATOM 0 HG2 LYS A 35 -4.274 -13.338 -9.816 1.00 1.00 H new ATOM 0 HG3 LYS A 35 -4.228 -14.041 -8.212 1.00 1.00 H new ATOM 0 HD2 LYS A 35 -4.913 -15.651 -10.714 1.00 1.00 H new ATOM 0 HD3 LYS A 35 -3.283 -15.511 -10.084 1.00 1.00 H new ATOM 0 HE2 LYS A 35 -4.150 -16.406 -7.854 1.00 1.00 H new ATOM 0 HE3 LYS A 35 -5.694 -16.698 -8.631 1.00 1.00 H new ATOM 0 HZ1 LYS A 35 -4.314 -18.670 -8.653 1.00 1.00 H new ATOM 0 HZ2 LYS A 35 -4.581 -18.128 -10.240 1.00 1.00 H new ATOM 0 HZ3 LYS A 35 -3.086 -17.846 -9.487 1.00 1.00 H new ATOM 560 N GLY A 36 -8.394 -10.953 -8.631 1.00 1.00 N ATOM 561 CA GLY A 36 -9.787 -10.540 -8.592 1.00 1.00 C ATOM 562 C GLY A 36 -9.904 -9.019 -8.480 1.00 1.00 C ATOM 563 O GLY A 36 -10.773 -8.413 -9.106 1.00 1.00 O ATOM 0 H GLY A 36 -7.721 -10.191 -8.552 1.00 1.00 H new ATOM 0 HA2 GLY A 36 -10.297 -10.882 -9.492 1.00 1.00 H new ATOM 0 HA3 GLY A 36 -10.286 -11.010 -7.745 1.00 1.00 H new ATOM 567 N ALA A 37 -9.019 -8.447 -7.678 1.00 1.00 N ATOM 568 CA ALA A 37 -8.986 -7.004 -7.509 1.00 1.00 C ATOM 569 C ALA A 37 -8.694 -6.343 -8.857 1.00 1.00 C ATOM 570 O ALA A 37 -8.373 -7.025 -9.830 1.00 1.00 O ATOM 571 CB ALA A 37 -7.950 -6.638 -6.444 1.00 1.00 C ATOM 0 H ALA A 37 -8.319 -8.956 -7.138 1.00 1.00 H new ATOM 0 HA ALA A 37 -9.952 -6.636 -7.164 1.00 1.00 H new ATOM 0 HB1 ALA A 37 -7.925 -5.556 -6.317 1.00 1.00 H new ATOM 0 HB2 ALA A 37 -8.219 -7.108 -5.498 1.00 1.00 H new ATOM 0 HB3 ALA A 37 -6.967 -6.989 -6.757 1.00 1.00 H new ATOM 577 N GLY A 38 -8.813 -5.024 -8.872 1.00 1.00 N ATOM 578 CA GLY A 38 -8.650 -4.271 -10.104 1.00 1.00 C ATOM 579 C GLY A 38 -8.339 -2.802 -9.812 1.00 1.00 C ATOM 580 O GLY A 38 -8.053 -2.439 -8.672 1.00 1.00 O ATOM 0 H GLY A 38 -9.021 -4.457 -8.050 1.00 1.00 H new ATOM 0 HA2 GLY A 38 -7.845 -4.706 -10.696 1.00 1.00 H new ATOM 0 HA3 GLY A 38 -9.559 -4.342 -10.701 1.00 1.00 H new ATOM 584 N GLY A 39 -8.405 -1.997 -10.862 1.00 1.00 N ATOM 585 CA GLY A 39 -7.840 -0.658 -10.815 1.00 1.00 C ATOM 586 C GLY A 39 -7.825 -0.021 -12.206 1.00 1.00 C ATOM 587 O GLY A 39 -8.340 -0.598 -13.163 1.00 1.00 O ATOM 0 H GLY A 39 -8.841 -2.245 -11.750 1.00 1.00 H new ATOM 0 HA2 GLY A 39 -8.422 -0.038 -10.133 1.00 1.00 H new ATOM 0 HA3 GLY A 39 -6.825 -0.701 -10.420 1.00 1.00 H new ATOM 591 N TYR A 40 -7.231 1.162 -12.274 1.00 1.00 N ATOM 592 CA TYR A 40 -6.981 1.801 -13.555 1.00 1.00 C ATOM 593 C TYR A 40 -5.887 2.863 -13.431 1.00 1.00 C ATOM 594 O TYR A 40 -5.503 3.240 -12.326 1.00 1.00 O ATOM 595 CB TYR A 40 -8.293 2.481 -13.950 1.00 1.00 C ATOM 596 CG TYR A 40 -9.111 2.993 -12.763 1.00 1.00 C ATOM 597 CD1 TYR A 40 -8.657 4.068 -12.025 1.00 1.00 C ATOM 598 CD2 TYR A 40 -10.303 2.382 -12.431 1.00 1.00 C ATOM 599 CE1 TYR A 40 -9.427 4.551 -10.907 1.00 1.00 C ATOM 600 CE2 TYR A 40 -11.072 2.865 -11.313 1.00 1.00 C ATOM 601 CZ TYR A 40 -10.596 3.925 -10.607 1.00 1.00 C ATOM 602 OH TYR A 40 -11.323 4.381 -9.552 1.00 1.00 O ATOM 0 H TYR A 40 -6.916 1.694 -11.463 1.00 1.00 H new ATOM 0 HA TYR A 40 -6.652 1.069 -14.292 1.00 1.00 H new ATOM 0 HB2 TYR A 40 -8.071 3.317 -14.613 1.00 1.00 H new ATOM 0 HB3 TYR A 40 -8.899 1.776 -14.518 1.00 1.00 H new ATOM 0 HD1 TYR A 40 -7.725 4.547 -12.286 1.00 1.00 H new ATOM 0 HD2 TYR A 40 -10.659 1.542 -13.009 1.00 1.00 H new ATOM 0 HE1 TYR A 40 -9.084 5.391 -10.321 1.00 1.00 H new ATOM 0 HE2 TYR A 40 -12.006 2.396 -11.042 1.00 1.00 H new ATOM 0 HH TYR A 40 -10.772 4.361 -8.742 1.00 1.00 H new ATOM 612 N CYS A 41 -5.414 3.315 -14.584 1.00 1.00 N ATOM 613 CA CYS A 41 -4.255 4.191 -14.626 1.00 1.00 C ATOM 614 C CYS A 41 -4.741 5.637 -14.520 1.00 1.00 C ATOM 615 O CYS A 41 -5.221 6.208 -15.499 1.00 1.00 O ATOM 616 CB CYS A 41 -3.417 3.961 -15.886 1.00 1.00 C ATOM 617 SG CYS A 41 -1.764 4.744 -15.861 1.00 1.00 S ATOM 0 H CYS A 41 -5.812 3.091 -15.496 1.00 1.00 H new ATOM 0 HA CYS A 41 -3.597 3.968 -13.786 1.00 1.00 H new ATOM 0 HB2 CYS A 41 -3.293 2.888 -16.032 1.00 1.00 H new ATOM 0 HB3 CYS A 41 -3.969 4.338 -16.747 1.00 1.00 H new ATOM 622 N TYR A 42 -4.600 6.190 -13.324 1.00 1.00 N ATOM 623 CA TYR A 42 -4.867 7.603 -13.117 1.00 1.00 C ATOM 624 C TYR A 42 -3.656 8.453 -13.507 1.00 1.00 C ATOM 625 O TYR A 42 -2.743 7.969 -14.175 1.00 1.00 O ATOM 626 CB TYR A 42 -5.128 7.767 -11.619 1.00 1.00 C ATOM 627 CG TYR A 42 -6.484 8.395 -11.287 1.00 1.00 C ATOM 628 CD1 TYR A 42 -7.648 7.785 -11.709 1.00 1.00 C ATOM 629 CD2 TYR A 42 -6.543 9.571 -10.569 1.00 1.00 C ATOM 630 CE1 TYR A 42 -8.923 8.376 -11.399 1.00 1.00 C ATOM 631 CE2 TYR A 42 -7.818 10.162 -10.259 1.00 1.00 C ATOM 632 CZ TYR A 42 -8.946 9.535 -10.688 1.00 1.00 C ATOM 633 OH TYR A 42 -10.151 10.094 -10.395 1.00 1.00 O ATOM 0 H TYR A 42 -4.304 5.685 -12.489 1.00 1.00 H new ATOM 0 HA TYR A 42 -5.710 7.928 -13.727 1.00 1.00 H new ATOM 0 HB2 TYR A 42 -5.065 6.789 -11.141 1.00 1.00 H new ATOM 0 HB3 TYR A 42 -4.339 8.384 -11.189 1.00 1.00 H new ATOM 0 HD1 TYR A 42 -7.602 6.864 -12.272 1.00 1.00 H new ATOM 0 HD2 TYR A 42 -5.632 10.049 -10.239 1.00 1.00 H new ATOM 0 HE1 TYR A 42 -9.841 7.909 -11.724 1.00 1.00 H new ATOM 0 HE2 TYR A 42 -7.878 11.083 -9.698 1.00 1.00 H new ATOM 0 HH TYR A 42 -10.013 10.918 -9.882 1.00 1.00 H new ATOM 643 N ALA A 43 -3.686 9.704 -13.072 1.00 1.00 N ATOM 644 CA ALA A 43 -2.611 10.631 -13.384 1.00 1.00 C ATOM 645 C ALA A 43 -1.276 10.021 -12.950 1.00 1.00 C ATOM 646 O ALA A 43 -0.801 10.281 -11.846 1.00 1.00 O ATOM 647 CB ALA A 43 -2.884 11.976 -12.708 1.00 1.00 C ATOM 0 H ALA A 43 -4.438 10.098 -12.506 1.00 1.00 H new ATOM 0 HA ALA A 43 -2.559 10.811 -14.458 1.00 1.00 H new ATOM 0 HB1 ALA A 43 -2.078 12.671 -12.942 1.00 1.00 H new ATOM 0 HB2 ALA A 43 -3.829 12.381 -13.071 1.00 1.00 H new ATOM 0 HB3 ALA A 43 -2.940 11.836 -11.629 1.00 1.00 H new ATOM 653 N PHE A 44 -0.709 9.222 -13.842 1.00 1.00 N ATOM 654 CA PHE A 44 0.552 8.559 -13.558 1.00 1.00 C ATOM 655 C PHE A 44 0.545 7.941 -12.158 1.00 1.00 C ATOM 656 O PHE A 44 1.494 8.113 -11.396 1.00 1.00 O ATOM 657 CB PHE A 44 1.644 9.628 -13.625 1.00 1.00 C ATOM 658 CG PHE A 44 1.616 10.467 -14.904 1.00 1.00 C ATOM 659 CD1 PHE A 44 1.984 9.911 -16.091 1.00 1.00 C ATOM 660 CD2 PHE A 44 1.223 11.768 -14.857 1.00 1.00 C ATOM 661 CE1 PHE A 44 1.958 10.689 -17.277 1.00 1.00 C ATOM 662 CE2 PHE A 44 1.196 12.546 -16.044 1.00 1.00 C ATOM 663 CZ PHE A 44 1.565 11.990 -17.229 1.00 1.00 C ATOM 0 H PHE A 44 -1.100 9.019 -14.762 1.00 1.00 H new ATOM 0 HA PHE A 44 0.721 7.758 -14.278 1.00 1.00 H new ATOM 0 HB2 PHE A 44 1.542 10.291 -12.766 1.00 1.00 H new ATOM 0 HB3 PHE A 44 2.617 9.144 -13.541 1.00 1.00 H new ATOM 0 HD1 PHE A 44 2.296 8.878 -16.130 1.00 1.00 H new ATOM 0 HD2 PHE A 44 0.931 12.210 -13.916 1.00 1.00 H new ATOM 0 HE1 PHE A 44 2.250 10.248 -18.218 1.00 1.00 H new ATOM 0 HE2 PHE A 44 0.883 13.579 -16.006 1.00 1.00 H new ATOM 0 HZ PHE A 44 1.546 12.582 -18.132 1.00 1.00 H new ATOM 673 N ALA A 45 -0.537 7.236 -11.863 1.00 1.00 N ATOM 674 CA ALA A 45 -0.583 6.398 -10.677 1.00 1.00 C ATOM 675 C ALA A 45 -1.699 5.362 -10.834 1.00 1.00 C ATOM 676 O ALA A 45 -2.780 5.679 -11.325 1.00 1.00 O ATOM 677 CB ALA A 45 -0.773 7.276 -9.438 1.00 1.00 C ATOM 0 H ALA A 45 -1.388 7.228 -12.425 1.00 1.00 H new ATOM 0 HA ALA A 45 0.355 5.857 -10.552 1.00 1.00 H new ATOM 0 HB1 ALA A 45 -0.808 6.647 -8.548 1.00 1.00 H new ATOM 0 HB2 ALA A 45 0.059 7.975 -9.356 1.00 1.00 H new ATOM 0 HB3 ALA A 45 -1.706 7.832 -9.526 1.00 1.00 H new ATOM 683 N CYS A 46 -1.396 4.145 -10.406 1.00 1.00 N ATOM 684 CA CYS A 46 -2.306 3.031 -10.613 1.00 1.00 C ATOM 685 C CYS A 46 -3.241 2.944 -9.405 1.00 1.00 C ATOM 686 O CYS A 46 -2.851 2.448 -8.349 1.00 1.00 O ATOM 687 CB CYS A 46 -1.552 1.721 -10.846 1.00 1.00 C ATOM 688 SG CYS A 46 -2.599 0.220 -10.832 1.00 1.00 S ATOM 0 H CYS A 46 -0.533 3.906 -9.917 1.00 1.00 H new ATOM 0 HA CYS A 46 -2.894 3.201 -11.515 1.00 1.00 H new ATOM 0 HB2 CYS A 46 -1.038 1.780 -11.806 1.00 1.00 H new ATOM 0 HB3 CYS A 46 -0.784 1.619 -10.079 1.00 1.00 H new ATOM 693 N TRP A 47 -4.456 3.434 -9.600 1.00 1.00 N ATOM 694 CA TRP A 47 -5.444 3.434 -8.535 1.00 1.00 C ATOM 695 C TRP A 47 -6.136 2.069 -8.532 1.00 1.00 C ATOM 696 O TRP A 47 -6.825 1.717 -9.487 1.00 1.00 O ATOM 697 CB TRP A 47 -6.421 4.600 -8.693 1.00 1.00 C ATOM 698 CG TRP A 47 -7.558 4.603 -7.670 1.00 1.00 C ATOM 699 CD1 TRP A 47 -8.640 3.813 -7.634 1.00 1.00 C ATOM 700 CD2 TRP A 47 -7.681 5.474 -6.525 1.00 1.00 C ATOM 701 NE1 TRP A 47 -9.448 4.110 -6.555 1.00 1.00 N ATOM 702 CE2 TRP A 47 -8.846 5.151 -5.859 1.00 1.00 C ATOM 703 CE3 TRP A 47 -6.835 6.499 -6.066 1.00 1.00 C ATOM 704 CZ2 TRP A 47 -9.273 5.808 -4.698 1.00 1.00 C ATOM 705 CZ3 TRP A 47 -7.275 7.146 -4.905 1.00 1.00 C ATOM 706 CH2 TRP A 47 -8.446 6.833 -4.224 1.00 1.00 C ATOM 0 H TRP A 47 -4.779 3.834 -10.481 1.00 1.00 H new ATOM 0 HA TRP A 47 -4.967 3.584 -7.566 1.00 1.00 H new ATOM 0 HB2 TRP A 47 -5.869 5.536 -8.610 1.00 1.00 H new ATOM 0 HB3 TRP A 47 -6.848 4.569 -9.695 1.00 1.00 H new ATOM 0 HD1 TRP A 47 -8.853 3.041 -8.358 1.00 1.00 H new ATOM 0 HE1 TRP A 47 -10.326 3.650 -6.313 1.00 1.00 H new ATOM 0 HE3 TRP A 47 -5.918 6.766 -6.570 1.00 1.00 H new ATOM 0 HZ2 TRP A 47 -10.190 5.538 -4.196 1.00 1.00 H new ATOM 0 HZ3 TRP A 47 -6.662 7.943 -4.511 1.00 1.00 H new ATOM 0 HH2 TRP A 47 -8.717 7.379 -3.332 1.00 1.00 H new ATOM 717 N CYS A 48 -5.927 1.338 -7.447 1.00 1.00 N ATOM 718 CA CYS A 48 -6.577 0.050 -7.276 1.00 1.00 C ATOM 719 C CYS A 48 -7.834 0.255 -6.427 1.00 1.00 C ATOM 720 O CYS A 48 -7.857 1.105 -5.540 1.00 1.00 O ATOM 721 CB CYS A 48 -5.633 -0.983 -6.656 1.00 1.00 C ATOM 722 SG CYS A 48 -4.437 -1.726 -7.825 1.00 1.00 S ATOM 0 H CYS A 48 -5.317 1.613 -6.678 1.00 1.00 H new ATOM 0 HA CYS A 48 -6.858 -0.350 -8.250 1.00 1.00 H new ATOM 0 HB2 CYS A 48 -5.081 -0.509 -5.845 1.00 1.00 H new ATOM 0 HB3 CYS A 48 -6.230 -1.780 -6.212 1.00 1.00 H new ATOM 727 N THR A 49 -8.850 -0.540 -6.732 1.00 1.00 N ATOM 728 CA THR A 49 -10.202 -0.221 -6.306 1.00 1.00 C ATOM 729 C THR A 49 -11.045 -1.495 -6.209 1.00 1.00 C ATOM 730 O THR A 49 -12.185 -1.526 -6.668 1.00 1.00 O ATOM 731 CB THR A 49 -10.774 0.812 -7.280 1.00 1.00 C ATOM 732 OG1 THR A 49 -12.096 1.045 -6.803 1.00 1.00 O ATOM 733 CG2 THR A 49 -10.979 0.241 -8.685 1.00 1.00 C ATOM 0 H THR A 49 -8.764 -1.403 -7.268 1.00 1.00 H new ATOM 0 HA THR A 49 -10.209 0.214 -5.307 1.00 1.00 H new ATOM 0 HB THR A 49 -10.105 1.671 -7.332 1.00 1.00 H new ATOM 0 HG1 THR A 49 -12.598 0.204 -6.808 1.00 1.00 H new ATOM 0 HG21 THR A 49 -11.386 1.014 -9.336 1.00 1.00 H new ATOM 0 HG22 THR A 49 -10.023 -0.101 -9.082 1.00 1.00 H new ATOM 0 HG23 THR A 49 -11.674 -0.598 -8.639 1.00 1.00 H new ATOM 741 N HIS A 50 -10.450 -2.514 -5.606 1.00 1.00 N ATOM 742 CA HIS A 50 -11.215 -3.661 -5.146 1.00 1.00 C ATOM 743 C HIS A 50 -10.365 -4.492 -4.184 1.00 1.00 C ATOM 744 O HIS A 50 -10.110 -5.669 -4.434 1.00 1.00 O ATOM 745 CB HIS A 50 -11.738 -4.475 -6.331 1.00 1.00 C ATOM 746 CG HIS A 50 -13.120 -4.076 -6.789 1.00 1.00 C ATOM 747 ND1 HIS A 50 -14.221 -4.093 -5.951 1.00 1.00 N ATOM 748 CD2 HIS A 50 -13.567 -3.649 -8.004 1.00 1.00 C ATOM 749 CE1 HIS A 50 -15.279 -3.693 -6.642 1.00 1.00 C ATOM 750 NE2 HIS A 50 -14.872 -3.418 -7.914 1.00 1.00 N ATOM 0 H HIS A 50 -9.448 -2.569 -5.425 1.00 1.00 H new ATOM 0 HA HIS A 50 -12.094 -3.321 -4.598 1.00 1.00 H new ATOM 0 HB2 HIS A 50 -11.045 -4.368 -7.166 1.00 1.00 H new ATOM 0 HB3 HIS A 50 -11.748 -5.530 -6.058 1.00 1.00 H new ATOM 0 HD2 HIS A 50 -12.963 -3.520 -8.890 1.00 1.00 H new ATOM 0 HE1 HIS A 50 -16.286 -3.601 -6.264 1.00 1.00 H new ATOM 0 HE2 HIS A 50 -15.471 -3.089 -8.671 1.00 1.00 H new ATOM 758 N LEU A 51 -9.948 -3.848 -3.104 1.00 1.00 N ATOM 759 CA LEU A 51 -8.986 -4.449 -2.197 1.00 1.00 C ATOM 760 C LEU A 51 -9.692 -4.842 -0.898 1.00 1.00 C ATOM 761 O LEU A 51 -10.905 -4.682 -0.774 1.00 1.00 O ATOM 762 CB LEU A 51 -7.791 -3.517 -1.989 1.00 1.00 C ATOM 763 CG LEU A 51 -7.121 -2.992 -3.260 1.00 1.00 C ATOM 764 CD1 LEU A 51 -6.366 -1.689 -2.985 1.00 1.00 C ATOM 765 CD2 LEU A 51 -6.217 -4.057 -3.884 1.00 1.00 C ATOM 0 H LEU A 51 -10.260 -2.914 -2.837 1.00 1.00 H new ATOM 0 HA LEU A 51 -8.577 -5.363 -2.627 1.00 1.00 H new ATOM 0 HB2 LEU A 51 -8.120 -2.663 -1.396 1.00 1.00 H new ATOM 0 HB3 LEU A 51 -7.042 -4.045 -1.399 1.00 1.00 H new ATOM 0 HG LEU A 51 -7.901 -2.765 -3.987 1.00 1.00 H new ATOM 0 HD11 LEU A 51 -5.899 -1.338 -3.905 1.00 1.00 H new ATOM 0 HD12 LEU A 51 -7.063 -0.934 -2.621 1.00 1.00 H new ATOM 0 HD13 LEU A 51 -5.597 -1.866 -2.233 1.00 1.00 H new ATOM 0 HD21 LEU A 51 -5.753 -3.658 -4.786 1.00 1.00 H new ATOM 0 HD22 LEU A 51 -5.442 -4.339 -3.172 1.00 1.00 H new ATOM 0 HD23 LEU A 51 -6.811 -4.934 -4.140 1.00 1.00 H new ATOM 777 N TYR A 52 -8.903 -5.352 0.037 1.00 1.00 N ATOM 778 CA TYR A 52 -9.373 -5.528 1.400 1.00 1.00 C ATOM 779 C TYR A 52 -8.722 -4.512 2.340 1.00 1.00 C ATOM 780 O TYR A 52 -7.957 -3.654 1.901 1.00 1.00 O ATOM 781 CB TYR A 52 -8.947 -6.936 1.815 1.00 1.00 C ATOM 782 CG TYR A 52 -7.843 -7.535 0.940 1.00 1.00 C ATOM 783 CD1 TYR A 52 -6.518 -7.312 1.254 1.00 1.00 C ATOM 784 CD2 TYR A 52 -8.173 -8.298 -0.161 1.00 1.00 C ATOM 785 CE1 TYR A 52 -5.478 -7.876 0.431 1.00 1.00 C ATOM 786 CE2 TYR A 52 -7.134 -8.862 -0.984 1.00 1.00 C ATOM 787 CZ TYR A 52 -5.839 -8.623 -0.647 1.00 1.00 C ATOM 788 OH TYR A 52 -4.858 -9.155 -1.424 1.00 1.00 O ATOM 0 H TYR A 52 -7.940 -5.649 -0.123 1.00 1.00 H new ATOM 0 HA TYR A 52 -10.452 -5.385 1.455 1.00 1.00 H new ATOM 0 HB2 TYR A 52 -8.603 -6.911 2.849 1.00 1.00 H new ATOM 0 HB3 TYR A 52 -9.817 -7.592 1.784 1.00 1.00 H new ATOM 0 HD1 TYR A 52 -6.260 -6.715 2.116 1.00 1.00 H new ATOM 0 HD2 TYR A 52 -9.210 -8.472 -0.406 1.00 1.00 H new ATOM 0 HE1 TYR A 52 -4.437 -7.710 0.665 1.00 1.00 H new ATOM 0 HE2 TYR A 52 -7.378 -9.461 -1.849 1.00 1.00 H new ATOM 0 HH TYR A 52 -5.262 -9.665 -2.157 1.00 1.00 H new ATOM 798 N GLU A 53 -9.048 -4.641 3.617 1.00 1.00 N ATOM 799 CA GLU A 53 -8.602 -3.674 4.606 1.00 1.00 C ATOM 800 C GLU A 53 -7.076 -3.683 4.708 1.00 1.00 C ATOM 801 O GLU A 53 -6.476 -2.724 5.188 1.00 1.00 O ATOM 802 CB GLU A 53 -9.244 -3.946 5.968 1.00 1.00 C ATOM 803 CG GLU A 53 -10.741 -3.630 5.942 1.00 1.00 C ATOM 804 CD GLU A 53 -11.382 -3.902 7.305 1.00 1.00 C ATOM 805 OE1 GLU A 53 -11.822 -5.055 7.504 1.00 1.00 O ATOM 806 OE2 GLU A 53 -11.419 -2.951 8.114 1.00 1.00 O ATOM 0 H GLU A 53 -9.616 -5.401 3.990 1.00 1.00 H new ATOM 0 HA GLU A 53 -8.919 -2.682 4.283 1.00 1.00 H new ATOM 0 HB2 GLU A 53 -9.094 -4.990 6.243 1.00 1.00 H new ATOM 0 HB3 GLU A 53 -8.754 -3.342 6.732 1.00 1.00 H new ATOM 0 HG2 GLU A 53 -10.891 -2.586 5.667 1.00 1.00 H new ATOM 0 HG3 GLU A 53 -11.231 -4.234 5.179 1.00 1.00 H new ATOM 813 N GLN A 54 -6.491 -4.780 4.247 1.00 1.00 N ATOM 814 CA GLN A 54 -5.044 -4.918 4.259 1.00 1.00 C ATOM 815 C GLN A 54 -4.442 -4.310 2.991 1.00 1.00 C ATOM 816 O GLN A 54 -3.293 -4.585 2.652 1.00 1.00 O ATOM 817 CB GLN A 54 -4.635 -6.384 4.411 1.00 1.00 C ATOM 818 CG GLN A 54 -3.783 -6.589 5.664 1.00 1.00 C ATOM 819 CD GLN A 54 -2.404 -5.944 5.500 1.00 1.00 C ATOM 820 OE1 GLN A 54 -1.554 -6.415 4.761 1.00 1.00 O ATOM 821 NE2 GLN A 54 -2.230 -4.845 6.228 1.00 1.00 N ATOM 0 H GLN A 54 -6.993 -5.581 3.863 1.00 1.00 H new ATOM 0 HA GLN A 54 -4.654 -4.374 5.120 1.00 1.00 H new ATOM 0 HB2 GLN A 54 -5.526 -7.010 4.466 1.00 1.00 H new ATOM 0 HB3 GLN A 54 -4.076 -6.702 3.531 1.00 1.00 H new ATOM 0 HG2 GLN A 54 -4.290 -6.158 6.527 1.00 1.00 H new ATOM 0 HG3 GLN A 54 -3.669 -7.655 5.860 1.00 1.00 H new ATOM 0 HE21 GLN A 54 -2.983 -4.505 6.826 1.00 1.00 H new ATOM 0 HE22 GLN A 54 -1.343 -4.342 6.188 1.00 1.00 H new ATOM 830 N ALA A 55 -5.246 -3.492 2.327 1.00 1.00 N ATOM 831 CA ALA A 55 -4.724 -2.581 1.322 1.00 1.00 C ATOM 832 C ALA A 55 -3.666 -1.679 1.960 1.00 1.00 C ATOM 833 O ALA A 55 -3.881 -1.134 3.042 1.00 1.00 O ATOM 834 CB ALA A 55 -5.876 -1.785 0.706 1.00 1.00 C ATOM 0 H ALA A 55 -6.255 -3.441 2.465 1.00 1.00 H new ATOM 0 HA ALA A 55 -4.243 -3.134 0.515 1.00 1.00 H new ATOM 0 HB1 ALA A 55 -5.484 -1.102 -0.048 1.00 1.00 H new ATOM 0 HB2 ALA A 55 -6.584 -2.471 0.241 1.00 1.00 H new ATOM 0 HB3 ALA A 55 -6.381 -1.214 1.485 1.00 1.00 H new ATOM 840 N ILE A 56 -2.547 -1.549 1.263 1.00 1.00 N ATOM 841 CA ILE A 56 -1.623 -0.458 1.527 1.00 1.00 C ATOM 842 C ILE A 56 -1.498 0.413 0.275 1.00 1.00 C ATOM 843 O ILE A 56 -1.426 -0.102 -0.839 1.00 1.00 O ATOM 844 CB ILE A 56 -0.286 -1.000 2.035 1.00 1.00 C ATOM 845 CG1 ILE A 56 -0.497 -2.039 3.139 1.00 1.00 C ATOM 846 CG2 ILE A 56 0.631 0.139 2.489 1.00 1.00 C ATOM 847 CD1 ILE A 56 -0.907 -1.368 4.452 1.00 1.00 C ATOM 0 H ILE A 56 -2.259 -2.181 0.516 1.00 1.00 H new ATOM 0 HA ILE A 56 -2.005 0.181 2.323 1.00 1.00 H new ATOM 0 HB ILE A 56 0.212 -1.506 1.208 1.00 1.00 H new ATOM 0 HG12 ILE A 56 -1.266 -2.749 2.833 1.00 1.00 H new ATOM 0 HG13 ILE A 56 0.421 -2.608 3.288 1.00 1.00 H new ATOM 0 HG21 ILE A 56 1.575 -0.274 2.845 1.00 1.00 H new ATOM 0 HG22 ILE A 56 0.822 0.809 1.651 1.00 1.00 H new ATOM 0 HG23 ILE A 56 0.150 0.694 3.295 1.00 1.00 H new ATOM 0 HD11 ILE A 56 -1.051 -2.128 5.220 1.00 1.00 H new ATOM 0 HD12 ILE A 56 -0.125 -0.677 4.767 1.00 1.00 H new ATOM 0 HD13 ILE A 56 -1.838 -0.820 4.305 1.00 1.00 H new ATOM 859 N VAL A 57 -1.478 1.718 0.502 1.00 1.00 N ATOM 860 CA VAL A 57 -1.479 2.668 -0.597 1.00 1.00 C ATOM 861 C VAL A 57 -0.395 3.721 -0.358 1.00 1.00 C ATOM 862 O VAL A 57 -0.134 4.100 0.783 1.00 1.00 O ATOM 863 CB VAL A 57 -2.875 3.274 -0.763 1.00 1.00 C ATOM 864 CG1 VAL A 57 -3.702 3.102 0.512 1.00 1.00 C ATOM 865 CG2 VAL A 57 -2.789 4.748 -1.166 1.00 1.00 C ATOM 0 H VAL A 57 -1.461 2.140 1.431 1.00 1.00 H new ATOM 0 HA VAL A 57 -1.243 2.166 -1.535 1.00 1.00 H new ATOM 0 HB VAL A 57 -3.380 2.736 -1.565 1.00 1.00 H new ATOM 0 HG11 VAL A 57 -4.689 3.541 0.367 1.00 1.00 H new ATOM 0 HG12 VAL A 57 -3.806 2.041 0.738 1.00 1.00 H new ATOM 0 HG13 VAL A 57 -3.201 3.601 1.341 1.00 1.00 H new ATOM 0 HG21 VAL A 57 -3.794 5.154 -1.277 1.00 1.00 H new ATOM 0 HG22 VAL A 57 -2.256 5.305 -0.396 1.00 1.00 H new ATOM 0 HG23 VAL A 57 -2.255 4.836 -2.112 1.00 1.00 H new ATOM 875 N TRP A 58 0.207 4.163 -1.452 1.00 1.00 N ATOM 876 CA TRP A 58 1.454 4.904 -1.373 1.00 1.00 C ATOM 877 C TRP A 58 1.199 6.171 -0.555 1.00 1.00 C ATOM 878 O TRP A 58 0.084 6.688 -0.535 1.00 1.00 O ATOM 879 CB TRP A 58 2.010 5.194 -2.768 1.00 1.00 C ATOM 880 CG TRP A 58 3.293 6.028 -2.766 1.00 1.00 C ATOM 881 CD1 TRP A 58 4.560 5.592 -2.788 1.00 1.00 C ATOM 882 CD2 TRP A 58 3.382 7.468 -2.739 1.00 1.00 C ATOM 883 NE1 TRP A 58 5.456 6.642 -2.778 1.00 1.00 N ATOM 884 CE2 TRP A 58 4.717 7.819 -2.747 1.00 1.00 C ATOM 885 CE3 TRP A 58 2.369 8.442 -2.709 1.00 1.00 C ATOM 886 CZ2 TRP A 58 5.160 9.147 -2.727 1.00 1.00 C ATOM 887 CZ3 TRP A 58 2.829 9.764 -2.690 1.00 1.00 C ATOM 888 CH2 TRP A 58 4.169 10.134 -2.697 1.00 1.00 C ATOM 0 H TRP A 58 -0.146 4.022 -2.399 1.00 1.00 H new ATOM 0 HA TRP A 58 2.222 4.315 -0.872 1.00 1.00 H new ATOM 0 HB2 TRP A 58 2.204 4.248 -3.274 1.00 1.00 H new ATOM 0 HB3 TRP A 58 1.250 5.716 -3.349 1.00 1.00 H new ATOM 0 HD1 TRP A 58 4.844 4.550 -2.811 1.00 1.00 H new ATOM 0 HE1 TRP A 58 6.473 6.568 -2.791 1.00 1.00 H new ATOM 0 HE3 TRP A 58 1.319 8.190 -2.701 1.00 1.00 H new ATOM 0 HZ2 TRP A 58 6.211 9.396 -2.734 1.00 1.00 H new ATOM 0 HZ3 TRP A 58 2.091 10.552 -2.668 1.00 1.00 H new ATOM 0 HH2 TRP A 58 4.444 11.178 -2.679 1.00 1.00 H new ATOM 899 N PRO A 59 2.282 6.649 0.118 1.00 1.00 N ATOM 900 CA PRO A 59 3.461 5.826 0.318 1.00 1.00 C ATOM 901 C PRO A 59 3.215 4.769 1.396 1.00 1.00 C ATOM 902 O PRO A 59 2.125 4.693 1.959 1.00 1.00 O ATOM 903 CB PRO A 59 4.565 6.804 0.686 1.00 1.00 C ATOM 904 CG PRO A 59 3.864 8.076 1.131 1.00 1.00 C ATOM 905 CD PRO A 59 2.409 7.981 0.702 1.00 1.00 C ATOM 0 HA PRO A 59 3.732 5.256 -0.571 1.00 1.00 H new ATOM 0 HB2 PRO A 59 5.191 6.404 1.483 1.00 1.00 H new ATOM 0 HB3 PRO A 59 5.217 6.995 -0.166 1.00 1.00 H new ATOM 0 HG2 PRO A 59 3.936 8.193 2.212 1.00 1.00 H new ATOM 0 HG3 PRO A 59 4.338 8.950 0.683 1.00 1.00 H new ATOM 0 HD2 PRO A 59 1.737 8.107 1.551 1.00 1.00 H new ATOM 0 HD3 PRO A 59 2.158 8.756 -0.022 1.00 1.00 H new ATOM 913 N LEU A 60 4.248 3.979 1.652 1.00 1.00 N ATOM 914 CA LEU A 60 4.205 3.021 2.743 1.00 1.00 C ATOM 915 C LEU A 60 4.212 3.773 4.076 1.00 1.00 C ATOM 916 O LEU A 60 4.808 4.843 4.187 1.00 1.00 O ATOM 917 CB LEU A 60 5.339 2.002 2.608 1.00 1.00 C ATOM 918 CG LEU A 60 5.436 1.284 1.260 1.00 1.00 C ATOM 919 CD1 LEU A 60 6.770 1.586 0.573 1.00 1.00 C ATOM 920 CD2 LEU A 60 5.203 -0.219 1.421 1.00 1.00 C ATOM 0 H LEU A 60 5.120 3.983 1.122 1.00 1.00 H new ATOM 0 HA LEU A 60 3.282 2.443 2.705 1.00 1.00 H new ATOM 0 HB2 LEU A 60 6.284 2.512 2.795 1.00 1.00 H new ATOM 0 HB3 LEU A 60 5.222 1.252 3.390 1.00 1.00 H new ATOM 0 HG LEU A 60 4.646 1.665 0.613 1.00 1.00 H new ATOM 0 HD11 LEU A 60 6.813 1.064 -0.383 1.00 1.00 H new ATOM 0 HD12 LEU A 60 6.858 2.659 0.404 1.00 1.00 H new ATOM 0 HD13 LEU A 60 7.590 1.250 1.208 1.00 1.00 H new ATOM 0 HD21 LEU A 60 5.277 -0.705 0.448 1.00 1.00 H new ATOM 0 HD22 LEU A 60 5.955 -0.634 2.092 1.00 1.00 H new ATOM 0 HD23 LEU A 60 4.210 -0.391 1.837 1.00 1.00 H new ATOM 932 N PRO A 61 3.522 3.168 5.081 1.00 1.00 N ATOM 933 CA PRO A 61 2.844 3.951 6.099 1.00 1.00 C ATOM 934 C PRO A 61 3.844 4.540 7.095 1.00 1.00 C ATOM 935 O PRO A 61 3.655 5.652 7.586 1.00 1.00 O ATOM 936 CB PRO A 61 1.860 2.988 6.745 1.00 1.00 C ATOM 937 CG PRO A 61 2.346 1.594 6.387 1.00 1.00 C ATOM 938 CD PRO A 61 3.371 1.729 5.271 1.00 1.00 C ATOM 0 HA PRO A 61 2.324 4.816 5.687 1.00 1.00 H new ATOM 0 HB2 PRO A 61 1.831 3.126 7.826 1.00 1.00 H new ATOM 0 HB3 PRO A 61 0.849 3.156 6.375 1.00 1.00 H new ATOM 0 HG2 PRO A 61 2.790 1.110 7.257 1.00 1.00 H new ATOM 0 HG3 PRO A 61 1.512 0.970 6.066 1.00 1.00 H new ATOM 0 HD2 PRO A 61 4.318 1.264 5.544 1.00 1.00 H new ATOM 0 HD3 PRO A 61 3.029 1.242 4.358 1.00 1.00 H new ATOM 946 N ASN A 62 4.888 3.770 7.362 1.00 1.00 N ATOM 947 CA ASN A 62 6.004 4.267 8.150 1.00 1.00 C ATOM 948 C ASN A 62 7.306 3.663 7.620 1.00 1.00 C ATOM 949 O ASN A 62 8.052 3.034 8.368 1.00 1.00 O ATOM 950 CB ASN A 62 5.861 3.867 9.620 1.00 1.00 C ATOM 951 CG ASN A 62 5.546 2.377 9.756 1.00 1.00 C ATOM 952 OD1 ASN A 62 5.731 1.591 8.840 1.00 1.00 O ATOM 953 ND2 ASN A 62 5.061 2.032 10.944 1.00 1.00 N ATOM 0 H ASN A 62 4.985 2.805 7.047 1.00 1.00 H new ATOM 0 HA ASN A 62 6.015 5.354 8.071 1.00 1.00 H new ATOM 0 HB2 ASN A 62 6.783 4.097 10.154 1.00 1.00 H new ATOM 0 HB3 ASN A 62 5.068 4.454 10.084 1.00 1.00 H new ATOM 0 HD21 ASN A 62 4.819 1.059 11.133 1.00 1.00 H new ATOM 0 HD22 ASN A 62 4.931 2.740 11.667 1.00 1.00 H new ATOM 960 N LYS A 63 7.539 3.876 6.333 1.00 1.00 N ATOM 961 CA LYS A 63 8.826 3.553 5.742 1.00 1.00 C ATOM 962 C LYS A 63 8.882 4.106 4.318 1.00 1.00 C ATOM 963 O LYS A 63 7.849 4.421 3.729 1.00 1.00 O ATOM 964 CB LYS A 63 9.093 2.048 5.829 1.00 1.00 C ATOM 965 CG LYS A 63 7.884 1.248 5.339 1.00 1.00 C ATOM 966 CD LYS A 63 8.020 -0.231 5.708 1.00 1.00 C ATOM 967 CE LYS A 63 7.195 -0.564 6.953 1.00 1.00 C ATOM 968 NZ LYS A 63 7.745 0.129 8.139 1.00 1.00 N ATOM 0 H LYS A 63 6.858 4.268 5.683 1.00 1.00 H new ATOM 0 HA LYS A 63 9.632 4.029 6.301 1.00 1.00 H new ATOM 0 HB2 LYS A 63 9.968 1.795 5.230 1.00 1.00 H new ATOM 0 HB3 LYS A 63 9.322 1.774 6.859 1.00 1.00 H new ATOM 0 HG2 LYS A 63 6.973 1.654 5.778 1.00 1.00 H new ATOM 0 HG3 LYS A 63 7.790 1.350 4.258 1.00 1.00 H new ATOM 0 HD2 LYS A 63 7.691 -0.849 4.873 1.00 1.00 H new ATOM 0 HD3 LYS A 63 9.068 -0.470 5.887 1.00 1.00 H new ATOM 0 HE2 LYS A 63 6.158 -0.267 6.799 1.00 1.00 H new ATOM 0 HE3 LYS A 63 7.197 -1.641 7.120 1.00 1.00 H new ATOM 0 HZ1 LYS A 63 7.696 -0.502 8.964 1.00 1.00 H new ATOM 0 HZ2 LYS A 63 8.736 0.389 7.961 1.00 1.00 H new ATOM 0 HZ3 LYS A 63 7.190 0.988 8.327 1.00 1.00 H new ATOM 982 N ARG A 64 10.099 4.207 3.803 1.00 1.00 N ATOM 983 CA ARG A 64 10.334 4.950 2.576 1.00 1.00 C ATOM 984 C ARG A 64 10.865 4.018 1.485 1.00 1.00 C ATOM 985 O ARG A 64 11.281 2.896 1.770 1.00 1.00 O ATOM 986 CB ARG A 64 11.337 6.083 2.803 1.00 1.00 C ATOM 987 CG ARG A 64 12.574 5.578 3.549 1.00 1.00 C ATOM 988 CD ARG A 64 13.795 6.446 3.235 1.00 1.00 C ATOM 989 NE ARG A 64 14.368 6.060 1.926 1.00 1.00 N ATOM 990 CZ ARG A 64 15.579 6.438 1.495 1.00 1.00 C ATOM 991 NH1 ARG A 64 16.251 7.399 2.143 1.00 1.00 N ATOM 992 NH2 ARG A 64 16.118 5.855 0.416 1.00 1.00 N ATOM 0 H ARG A 64 10.933 3.787 4.213 1.00 1.00 H new ATOM 0 HA ARG A 64 9.383 5.379 2.260 1.00 1.00 H new ATOM 0 HB2 ARG A 64 11.634 6.508 1.844 1.00 1.00 H new ATOM 0 HB3 ARG A 64 10.865 6.883 3.374 1.00 1.00 H new ATOM 0 HG2 ARG A 64 12.384 5.585 4.622 1.00 1.00 H new ATOM 0 HG3 ARG A 64 12.776 4.544 3.268 1.00 1.00 H new ATOM 0 HD2 ARG A 64 13.509 7.498 3.220 1.00 1.00 H new ATOM 0 HD3 ARG A 64 14.545 6.330 4.018 1.00 1.00 H new ATOM 0 HE ARG A 64 13.806 5.469 1.314 1.00 1.00 H new ATOM 0 HH11 ARG A 64 15.841 7.843 2.965 1.00 1.00 H new ATOM 0 HH12 ARG A 64 17.173 7.687 1.815 1.00 1.00 H new ATOM 0 HH21 ARG A 64 15.606 5.123 -0.077 1.00 1.00 H new ATOM 0 HH22 ARG A 64 17.040 6.143 0.088 1.00 1.00 H new ATOM 1006 N CYS A 65 10.834 4.519 0.259 1.00 1.00 N ATOM 1007 CA CYS A 65 11.423 3.800 -0.858 1.00 1.00 C ATOM 1008 C CYS A 65 12.881 3.488 -0.512 1.00 1.00 C ATOM 1009 O CYS A 65 13.620 4.367 -0.071 1.00 1.00 O ATOM 1010 CB CYS A 65 11.303 4.587 -2.165 1.00 1.00 C ATOM 1011 SG CYS A 65 11.954 3.726 -3.642 1.00 1.00 S ATOM 0 H CYS A 65 10.410 5.414 0.014 1.00 1.00 H new ATOM 0 HA CYS A 65 10.881 2.869 -1.021 1.00 1.00 H new ATOM 0 HB2 CYS A 65 10.253 4.825 -2.334 1.00 1.00 H new ATOM 0 HB3 CYS A 65 11.830 5.534 -2.052 1.00 1.00 H new ATOM 1016 N SER A 66 13.250 2.233 -0.726 1.00 1.00 N ATOM 1017 CA SER A 66 14.621 1.808 -0.497 1.00 1.00 C ATOM 1018 C SER A 66 15.574 2.626 -1.371 1.00 1.00 C ATOM 1019 O SER A 66 16.304 3.479 -0.868 1.00 1.00 O ATOM 1020 CB SER A 66 14.789 0.315 -0.784 1.00 1.00 C ATOM 1021 OG SER A 66 14.499 -0.006 -2.142 1.00 1.00 O ATOM 0 H SER A 66 12.624 1.498 -1.055 1.00 1.00 H new ATOM 0 HA SER A 66 14.862 1.979 0.552 1.00 1.00 H new ATOM 0 HB2 SER A 66 15.810 0.014 -0.551 1.00 1.00 H new ATOM 0 HB3 SER A 66 14.131 -0.256 -0.129 1.00 1.00 H new ATOM 0 HG SER A 66 15.058 0.540 -2.734 1.00 1.00 H new HETATM 1027 N NH2 A 67 15.537 2.337 -2.663 1.00 1.00 N TER 1030 NH2 A 67