USER MOD reduce.3.24.130724 H: found=0, std=0, add=462, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 458 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 Single : A 1 ASN : amide:sc= -0.0157 K(o=-0.016,f=-1.1) USER MOD Single : A 1 ASN N :NH3+ -107:sc= 0.0458 (180deg=0) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 TYR OH : rot 15:sc= 0.872 USER MOD Single : A 7 ASN : amide:sc= 0 K(o=0,f=-0.91) USER MOD Single : A 13 LYS NZ :NH3+ 178:sc= 1.81 (180deg=1.81) USER MOD Single : A 15 LYS NZ :NH3+ -169:sc= 1.74 (180deg=1.55) USER MOD Single : A 18 LYS NZ :NH3+ 175:sc= 0.914 (180deg=0.903) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 GLN : amide:sc= 0 K(o=0,f=-0.9) USER MOD Single : A 46 LYS NZ :NH3+ -163:sc= 1.13 (180deg=0.905) USER MOD Single : A 51 LYS NZ :NH3+ -174:sc= 0.917 (180deg=0.888) USER MOD Single : A 53 HIS : no HD1:sc= 0.3 K(o=0.3,f=-1.5) USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 1 2.863 0.546 16.309 1.00 0.00 N ATOM 2 CA ASN A 1 2.858 0.979 14.917 1.00 0.00 C ATOM 3 C ASN A 1 1.928 0.116 14.074 1.00 0.00 C ATOM 4 O ASN A 1 1.729 -1.064 14.363 1.00 0.00 O ATOM 5 CB ASN A 1 4.257 0.971 14.328 1.00 0.00 C ATOM 6 CG ASN A 1 5.163 2.024 14.905 1.00 0.00 C ATOM 7 OD1 ASN A 1 4.706 3.058 15.405 1.00 0.00 O ATOM 8 ND2 ASN A 1 6.445 1.803 14.767 1.00 0.00 N ATOM 0 H1 ASN A 1 2.342 1.235 16.889 1.00 0.00 H new ATOM 0 H2 ASN A 1 2.407 -0.386 16.384 1.00 0.00 H new ATOM 0 H3 ASN A 1 3.844 0.480 16.648 1.00 0.00 H new ATOM 0 HA ASN A 1 2.487 2.004 14.901 1.00 0.00 H new ATOM 0 HB2 ASN A 1 4.704 -0.009 14.491 1.00 0.00 H new ATOM 0 HB3 ASN A 1 4.188 1.115 13.250 1.00 0.00 H new ATOM 0 HD21 ASN A 1 7.119 2.502 15.079 1.00 0.00 H new ATOM 0 HD22 ASN A 1 6.770 0.932 14.347 1.00 0.00 H new ATOM 17 N GLY A 2 1.359 0.712 13.031 1.00 0.00 N ATOM 18 CA GLY A 2 0.490 -0.015 12.114 1.00 0.00 C ATOM 19 C GLY A 2 -0.963 0.043 12.571 1.00 0.00 C ATOM 20 O GLY A 2 -1.756 -0.846 12.261 1.00 0.00 O ATOM 0 H GLY A 2 1.485 1.698 12.800 1.00 0.00 H new ATOM 0 HA2 GLY A 2 0.577 0.409 11.113 1.00 0.00 H new ATOM 0 HA3 GLY A 2 0.813 -1.054 12.049 1.00 0.00 H new ATOM 24 N ASP A 3 -1.305 1.094 13.308 1.00 0.00 N ATOM 25 CA ASP A 3 -2.670 1.286 13.781 1.00 0.00 C ATOM 26 C ASP A 3 -3.544 1.920 12.705 1.00 0.00 C ATOM 27 O ASP A 3 -3.043 2.590 11.802 1.00 0.00 O ATOM 28 CB ASP A 3 -2.684 2.151 15.044 1.00 0.00 C ATOM 29 CG ASP A 3 -2.145 1.455 16.287 1.00 0.00 C ATOM 30 OD1 ASP A 3 -1.970 0.260 16.248 1.00 0.00 O ATOM 31 OD2 ASP A 3 -1.767 2.139 17.209 1.00 0.00 O ATOM 0 H ASP A 3 -0.654 1.827 13.591 1.00 0.00 H new ATOM 0 HA ASP A 3 -3.079 0.304 14.019 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -2.095 3.050 14.861 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -3.707 2.474 15.238 1.00 0.00 H new ATOM 36 N LYS A 4 -4.850 1.703 12.807 1.00 0.00 N ATOM 37 CA LYS A 4 -5.801 2.314 11.886 1.00 0.00 C ATOM 38 C LYS A 4 -6.185 3.716 12.341 1.00 0.00 C ATOM 39 O LYS A 4 -6.105 4.039 13.526 1.00 0.00 O ATOM 40 CB LYS A 4 -7.052 1.444 11.753 1.00 0.00 C ATOM 41 CG LYS A 4 -6.819 0.110 11.055 1.00 0.00 C ATOM 42 CD LYS A 4 -8.107 -0.694 10.956 1.00 0.00 C ATOM 43 CE LYS A 4 -7.888 -2.002 10.210 1.00 0.00 C ATOM 44 NZ LYS A 4 -9.140 -2.797 10.099 1.00 0.00 N ATOM 0 H LYS A 4 -5.275 1.108 13.519 1.00 0.00 H new ATOM 0 HA LYS A 4 -5.318 2.392 10.912 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -7.455 1.254 12.748 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -7.810 2.001 11.202 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -6.419 0.285 10.056 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -6.071 -0.464 11.602 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -8.485 -0.903 11.957 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -8.868 -0.104 10.444 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -7.503 -1.790 9.212 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -7.129 -2.591 10.726 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -8.946 -3.680 9.584 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -9.494 -3.022 11.051 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -9.856 -2.246 9.584 1.00 0.00 H new ATOM 58 N GLY A 5 -6.602 4.547 11.391 1.00 0.00 N ATOM 59 CA GLY A 5 -6.923 5.939 11.679 1.00 0.00 C ATOM 60 C GLY A 5 -5.758 6.857 11.328 1.00 0.00 C ATOM 61 O GLY A 5 -5.713 8.010 11.753 1.00 0.00 O ATOM 0 H GLY A 5 -6.725 4.280 10.414 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -7.806 6.236 11.114 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -7.169 6.047 12.735 1.00 0.00 H new ATOM 65 N TYR A 6 -4.816 6.335 10.547 1.00 0.00 N ATOM 66 CA TYR A 6 -3.652 7.109 10.132 1.00 0.00 C ATOM 67 C TYR A 6 -4.041 8.201 9.144 1.00 0.00 C ATOM 68 O TYR A 6 -4.550 7.918 8.060 1.00 0.00 O ATOM 69 CB TYR A 6 -2.595 6.193 9.512 1.00 0.00 C ATOM 70 CG TYR A 6 -1.753 5.451 10.528 1.00 0.00 C ATOM 71 CD1 TYR A 6 -1.762 5.821 11.865 1.00 0.00 C ATOM 72 CD2 TYR A 6 -0.954 4.385 10.147 1.00 0.00 C ATOM 73 CE1 TYR A 6 -0.996 5.148 12.797 1.00 0.00 C ATOM 74 CE2 TYR A 6 -0.183 3.705 11.070 1.00 0.00 C ATOM 75 CZ TYR A 6 -0.208 4.089 12.395 1.00 0.00 C ATOM 76 OH TYR A 6 0.558 3.415 13.319 1.00 0.00 O ATOM 0 H TYR A 6 -4.837 5.380 10.190 1.00 0.00 H new ATOM 0 HA TYR A 6 -3.234 7.585 11.019 1.00 0.00 H new ATOM 0 HB2 TYR A 6 -3.091 5.468 8.867 1.00 0.00 H new ATOM 0 HB3 TYR A 6 -1.939 6.789 8.877 1.00 0.00 H new ATOM 0 HD1 TYR A 6 -2.378 6.649 12.183 1.00 0.00 H new ATOM 0 HD2 TYR A 6 -0.934 4.081 9.111 1.00 0.00 H new ATOM 0 HE1 TYR A 6 -1.014 5.449 13.834 1.00 0.00 H new ATOM 0 HE2 TYR A 6 0.436 2.877 10.756 1.00 0.00 H new ATOM 0 HH TYR A 6 0.257 3.644 14.223 1.00 0.00 H new ATOM 86 N ASN A 7 -3.797 9.451 9.525 1.00 0.00 N ATOM 87 CA ASN A 7 -4.210 10.592 8.718 1.00 0.00 C ATOM 88 C ASN A 7 -3.102 11.023 7.765 1.00 0.00 C ATOM 89 O ASN A 7 -3.369 11.541 6.681 1.00 0.00 O ATOM 90 CB ASN A 7 -4.639 11.761 9.587 1.00 0.00 C ATOM 91 CG ASN A 7 -5.881 11.493 10.389 1.00 0.00 C ATOM 92 OD1 ASN A 7 -6.726 10.675 10.010 1.00 0.00 O ATOM 93 ND2 ASN A 7 -6.035 12.237 11.455 1.00 0.00 N ATOM 0 H ASN A 7 -3.315 9.699 10.389 1.00 0.00 H new ATOM 0 HA ASN A 7 -5.069 10.274 8.127 1.00 0.00 H new ATOM 0 HB2 ASN A 7 -3.826 12.015 10.267 1.00 0.00 H new ATOM 0 HB3 ASN A 7 -4.807 12.631 8.953 1.00 0.00 H new ATOM 0 HD21 ASN A 7 -6.883 12.156 12.015 1.00 0.00 H new ATOM 0 HD22 ASN A 7 -5.307 12.898 11.725 1.00 0.00 H new ATOM 100 N GLY A 8 -1.858 10.805 8.176 1.00 0.00 N ATOM 101 CA GLY A 8 -0.705 11.238 7.394 1.00 0.00 C ATOM 102 C GLY A 8 -0.475 10.320 6.200 1.00 0.00 C ATOM 103 O GLY A 8 -0.940 9.180 6.181 1.00 0.00 O ATOM 0 H GLY A 8 -1.621 10.330 9.047 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -0.860 12.259 7.047 1.00 0.00 H new ATOM 0 HA3 GLY A 8 0.183 11.248 8.025 1.00 0.00 H new ATOM 107 N LEU A 9 0.245 10.823 5.204 1.00 0.00 N ATOM 108 CA LEU A 9 0.579 10.034 4.025 1.00 0.00 C ATOM 109 C LEU A 9 1.581 8.937 4.361 1.00 0.00 C ATOM 110 O LEU A 9 1.336 7.758 4.103 1.00 0.00 O ATOM 111 CB LEU A 9 1.132 10.941 2.918 1.00 0.00 C ATOM 112 CG LEU A 9 1.644 10.211 1.669 1.00 0.00 C ATOM 113 CD1 LEU A 9 0.523 9.387 1.050 1.00 0.00 C ATOM 114 CD2 LEU A 9 2.182 11.225 0.672 1.00 0.00 C ATOM 0 H LEU A 9 0.609 11.776 5.190 1.00 0.00 H new ATOM 0 HA LEU A 9 -0.334 9.557 3.669 1.00 0.00 H new ATOM 0 HB2 LEU A 9 0.350 11.638 2.617 1.00 0.00 H new ATOM 0 HB3 LEU A 9 1.947 11.536 3.331 1.00 0.00 H new ATOM 0 HG LEU A 9 2.451 9.533 1.949 1.00 0.00 H new ATOM 0 HD11 LEU A 9 0.896 8.873 0.164 1.00 0.00 H new ATOM 0 HD12 LEU A 9 0.169 8.653 1.774 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -0.299 10.045 0.768 1.00 0.00 H new ATOM 0 HD21 LEU A 9 2.545 10.706 -0.215 1.00 0.00 H new ATOM 0 HD22 LEU A 9 1.386 11.914 0.389 1.00 0.00 H new ATOM 0 HD23 LEU A 9 3.000 11.783 1.127 1.00 0.00 H new ATOM 126 N ALA A 10 2.711 9.332 4.938 1.00 0.00 N ATOM 127 CA ALA A 10 3.728 8.378 5.364 1.00 0.00 C ATOM 128 C ALA A 10 3.168 7.396 6.386 1.00 0.00 C ATOM 129 O ALA A 10 3.554 6.228 6.414 1.00 0.00 O ATOM 130 CB ALA A 10 4.935 9.109 5.933 1.00 0.00 C ATOM 0 H ALA A 10 2.946 10.308 5.121 1.00 0.00 H new ATOM 0 HA ALA A 10 4.044 7.808 4.490 1.00 0.00 H new ATOM 0 HB1 ALA A 10 5.685 8.383 6.247 1.00 0.00 H new ATOM 0 HB2 ALA A 10 5.358 9.762 5.170 1.00 0.00 H new ATOM 0 HB3 ALA A 10 4.627 9.706 6.791 1.00 0.00 H new ATOM 136 N GLU A 11 2.257 7.878 7.224 1.00 0.00 N ATOM 137 CA GLU A 11 1.554 7.017 8.168 1.00 0.00 C ATOM 138 C GLU A 11 0.749 5.946 7.443 1.00 0.00 C ATOM 139 O GLU A 11 0.839 4.763 7.770 1.00 0.00 O ATOM 140 CB GLU A 11 0.633 7.848 9.067 1.00 0.00 C ATOM 141 CG GLU A 11 1.364 8.755 10.046 1.00 0.00 C ATOM 142 CD GLU A 11 0.402 9.633 10.798 1.00 0.00 C ATOM 143 OE1 GLU A 11 -0.771 9.568 10.522 1.00 0.00 O ATOM 144 OE2 GLU A 11 0.824 10.286 11.724 1.00 0.00 O ATOM 0 H GLU A 11 1.988 8.861 7.269 1.00 0.00 H new ATOM 0 HA GLU A 11 2.301 6.521 8.787 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -0.014 8.459 8.438 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -0.013 7.173 9.628 1.00 0.00 H new ATOM 0 HG2 GLU A 11 1.934 8.149 10.750 1.00 0.00 H new ATOM 0 HG3 GLU A 11 2.080 9.375 9.506 1.00 0.00 H new ATOM 151 N ALA A 12 -0.036 6.368 6.458 1.00 0.00 N ATOM 152 CA ALA A 12 -0.837 5.442 5.667 1.00 0.00 C ATOM 153 C ALA A 12 0.045 4.448 4.922 1.00 0.00 C ATOM 154 O ALA A 12 -0.309 3.278 4.774 1.00 0.00 O ATOM 155 CB ALA A 12 -1.721 6.206 4.691 1.00 0.00 C ATOM 0 H ALA A 12 -0.135 7.347 6.188 1.00 0.00 H new ATOM 0 HA ALA A 12 -1.473 4.879 6.350 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -2.313 5.501 4.108 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -2.387 6.868 5.245 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -1.097 6.797 4.021 1.00 0.00 H new ATOM 161 N LYS A 13 1.197 4.921 4.456 1.00 0.00 N ATOM 162 CA LYS A 13 2.157 4.061 3.775 1.00 0.00 C ATOM 163 C LYS A 13 2.690 2.982 4.710 1.00 0.00 C ATOM 164 O LYS A 13 2.895 1.839 4.302 1.00 0.00 O ATOM 165 CB LYS A 13 3.315 4.889 3.215 1.00 0.00 C ATOM 166 CG LYS A 13 2.946 5.760 2.023 1.00 0.00 C ATOM 167 CD LYS A 13 4.154 6.522 1.498 1.00 0.00 C ATOM 168 CE LYS A 13 3.799 7.346 0.269 1.00 0.00 C ATOM 169 NZ LYS A 13 5.001 7.970 -0.348 1.00 0.00 N ATOM 0 H LYS A 13 1.488 5.895 4.538 1.00 0.00 H new ATOM 0 HA LYS A 13 1.639 3.572 2.950 1.00 0.00 H new ATOM 0 HB2 LYS A 13 3.707 5.526 4.008 1.00 0.00 H new ATOM 0 HB3 LYS A 13 4.119 4.214 2.922 1.00 0.00 H new ATOM 0 HG2 LYS A 13 2.533 5.137 1.229 1.00 0.00 H new ATOM 0 HG3 LYS A 13 2.167 6.465 2.313 1.00 0.00 H new ATOM 0 HD2 LYS A 13 4.540 7.178 2.279 1.00 0.00 H new ATOM 0 HD3 LYS A 13 4.950 5.819 1.250 1.00 0.00 H new ATOM 0 HE2 LYS A 13 3.304 6.709 -0.464 1.00 0.00 H new ATOM 0 HE3 LYS A 13 3.088 8.124 0.547 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 4.721 8.494 -1.201 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 5.440 8.623 0.331 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 5.683 7.229 -0.606 1.00 0.00 H new ATOM 183 N GLU A 14 2.912 3.351 5.967 1.00 0.00 N ATOM 184 CA GLU A 14 3.426 2.417 6.961 1.00 0.00 C ATOM 185 C GLU A 14 2.466 1.253 7.170 1.00 0.00 C ATOM 186 O GLU A 14 2.846 0.090 7.032 1.00 0.00 O ATOM 187 CB GLU A 14 3.679 3.134 8.289 1.00 0.00 C ATOM 188 CG GLU A 14 4.182 2.230 9.406 1.00 0.00 C ATOM 189 CD GLU A 14 5.564 1.717 9.112 1.00 0.00 C ATOM 190 OE1 GLU A 14 6.182 2.217 8.204 1.00 0.00 O ATOM 191 OE2 GLU A 14 6.047 0.905 9.866 1.00 0.00 O ATOM 0 H GLU A 14 2.743 4.292 6.322 1.00 0.00 H new ATOM 0 HA GLU A 14 4.370 2.019 6.588 1.00 0.00 H new ATOM 0 HB2 GLU A 14 4.407 3.929 8.126 1.00 0.00 H new ATOM 0 HB3 GLU A 14 2.754 3.611 8.613 1.00 0.00 H new ATOM 0 HG2 GLU A 14 4.188 2.780 10.347 1.00 0.00 H new ATOM 0 HG3 GLU A 14 3.499 1.390 9.532 1.00 0.00 H new ATOM 198 N LYS A 15 1.220 1.572 7.503 1.00 0.00 N ATOM 199 CA LYS A 15 0.219 0.551 7.791 1.00 0.00 C ATOM 200 C LYS A 15 -0.098 -0.275 6.552 1.00 0.00 C ATOM 201 O LYS A 15 -0.195 -1.500 6.618 1.00 0.00 O ATOM 202 CB LYS A 15 -1.058 1.193 8.337 1.00 0.00 C ATOM 203 CG LYS A 15 -1.852 0.305 9.286 1.00 0.00 C ATOM 204 CD LYS A 15 -2.820 -0.589 8.528 1.00 0.00 C ATOM 205 CE LYS A 15 -3.632 -1.457 9.479 1.00 0.00 C ATOM 206 NZ LYS A 15 -2.783 -2.453 10.187 1.00 0.00 N ATOM 0 H LYS A 15 0.879 2.530 7.580 1.00 0.00 H new ATOM 0 HA LYS A 15 0.631 -0.116 8.548 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -0.794 2.114 8.856 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -1.697 1.472 7.499 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -1.167 -0.310 9.870 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -2.404 0.926 9.992 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -3.492 0.025 7.929 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -2.266 -1.224 7.836 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -4.133 -0.823 10.210 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -4.411 -1.976 8.920 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -3.390 -3.140 10.678 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -2.184 -2.951 9.498 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -2.181 -1.965 10.881 1.00 0.00 H new ATOM 220 N ALA A 16 -0.260 0.404 5.421 1.00 0.00 N ATOM 221 CA ALA A 16 -0.599 -0.264 4.169 1.00 0.00 C ATOM 222 C ALA A 16 0.461 -1.287 3.785 1.00 0.00 C ATOM 223 O ALA A 16 0.143 -2.422 3.428 1.00 0.00 O ATOM 224 CB ALA A 16 -0.782 0.758 3.056 1.00 0.00 C ATOM 0 H ALA A 16 -0.162 1.416 5.345 1.00 0.00 H new ATOM 0 HA ALA A 16 -1.539 -0.796 4.315 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -1.035 0.244 2.128 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -1.586 1.445 3.321 1.00 0.00 H new ATOM 0 HB3 ALA A 16 0.143 1.318 2.920 1.00 0.00 H new ATOM 230 N ILE A 17 1.724 -0.880 3.861 1.00 0.00 N ATOM 231 CA ILE A 17 2.834 -1.758 3.512 1.00 0.00 C ATOM 232 C ILE A 17 3.000 -2.870 4.539 1.00 0.00 C ATOM 233 O ILE A 17 3.261 -4.021 4.185 1.00 0.00 O ATOM 234 CB ILE A 17 4.157 -0.978 3.396 1.00 0.00 C ATOM 235 CG1 ILE A 17 4.133 -0.068 2.164 1.00 0.00 C ATOM 236 CG2 ILE A 17 5.336 -1.936 3.332 1.00 0.00 C ATOM 237 CD1 ILE A 17 5.266 0.932 2.122 1.00 0.00 C ATOM 0 H ILE A 17 2.004 0.054 4.162 1.00 0.00 H new ATOM 0 HA ILE A 17 2.595 -2.196 2.543 1.00 0.00 H new ATOM 0 HB ILE A 17 4.271 -0.354 4.283 1.00 0.00 H new ATOM 0 HG12 ILE A 17 4.173 -0.686 1.267 1.00 0.00 H new ATOM 0 HG13 ILE A 17 3.185 0.470 2.139 1.00 0.00 H new ATOM 0 HG21 ILE A 17 6.263 -1.368 3.250 1.00 0.00 H new ATOM 0 HG22 ILE A 17 5.361 -2.543 4.237 1.00 0.00 H new ATOM 0 HG23 ILE A 17 5.231 -2.585 2.463 1.00 0.00 H new ATOM 0 HD11 ILE A 17 5.181 1.540 1.221 1.00 0.00 H new ATOM 0 HD12 ILE A 17 5.216 1.576 3.000 1.00 0.00 H new ATOM 0 HD13 ILE A 17 6.219 0.402 2.114 1.00 0.00 H new ATOM 249 N LYS A 18 2.849 -2.522 5.812 1.00 0.00 N ATOM 250 CA LYS A 18 2.975 -3.492 6.892 1.00 0.00 C ATOM 251 C LYS A 18 1.999 -4.648 6.712 1.00 0.00 C ATOM 252 O LYS A 18 2.362 -5.812 6.880 1.00 0.00 O ATOM 253 CB LYS A 18 2.747 -2.819 8.247 1.00 0.00 C ATOM 254 CG LYS A 18 2.883 -3.751 9.444 1.00 0.00 C ATOM 255 CD LYS A 18 2.864 -2.976 10.753 1.00 0.00 C ATOM 256 CE LYS A 18 2.965 -3.910 11.951 1.00 0.00 C ATOM 257 NZ LYS A 18 3.207 -3.166 13.217 1.00 0.00 N ATOM 0 H LYS A 18 2.639 -1.573 6.121 1.00 0.00 H new ATOM 0 HA LYS A 18 3.988 -3.893 6.862 1.00 0.00 H new ATOM 0 HB2 LYS A 18 3.459 -2.001 8.357 1.00 0.00 H new ATOM 0 HB3 LYS A 18 1.750 -2.378 8.257 1.00 0.00 H new ATOM 0 HG2 LYS A 18 2.070 -4.477 9.437 1.00 0.00 H new ATOM 0 HG3 LYS A 18 3.813 -4.314 9.366 1.00 0.00 H new ATOM 0 HD2 LYS A 18 3.692 -2.268 10.771 1.00 0.00 H new ATOM 0 HD3 LYS A 18 1.945 -2.394 10.820 1.00 0.00 H new ATOM 0 HE2 LYS A 18 2.045 -4.487 12.040 1.00 0.00 H new ATOM 0 HE3 LYS A 18 3.774 -4.622 11.789 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 3.185 -3.828 14.019 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 4.138 -2.703 13.175 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 2.468 -2.445 13.343 1.00 0.00 H new ATOM 271 N ASP A 19 0.758 -4.320 6.367 1.00 0.00 N ATOM 272 CA ASP A 19 -0.257 -5.332 6.103 1.00 0.00 C ATOM 273 C ASP A 19 0.158 -6.241 4.953 1.00 0.00 C ATOM 274 O ASP A 19 -0.004 -7.459 5.022 1.00 0.00 O ATOM 275 CB ASP A 19 -1.603 -4.674 5.793 1.00 0.00 C ATOM 276 CG ASP A 19 -2.301 -4.070 7.004 1.00 0.00 C ATOM 277 OD1 ASP A 19 -1.813 -4.245 8.095 1.00 0.00 O ATOM 278 OD2 ASP A 19 -3.222 -3.310 6.817 1.00 0.00 O ATOM 0 H ASP A 19 0.431 -3.359 6.264 1.00 0.00 H new ATOM 0 HA ASP A 19 -0.360 -5.942 7.000 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -1.449 -3.892 5.050 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -2.261 -5.416 5.342 1.00 0.00 H new ATOM 283 N LEU A 20 0.694 -5.642 3.895 1.00 0.00 N ATOM 284 CA LEU A 20 1.128 -6.395 2.725 1.00 0.00 C ATOM 285 C LEU A 20 2.288 -7.322 3.065 1.00 0.00 C ATOM 286 O LEU A 20 2.384 -8.431 2.541 1.00 0.00 O ATOM 287 CB LEU A 20 1.524 -5.438 1.594 1.00 0.00 C ATOM 288 CG LEU A 20 0.363 -4.661 0.960 1.00 0.00 C ATOM 289 CD1 LEU A 20 0.897 -3.654 -0.049 1.00 0.00 C ATOM 290 CD2 LEU A 20 -0.596 -5.636 0.292 1.00 0.00 C ATOM 0 H LEU A 20 0.838 -4.635 3.824 1.00 0.00 H new ATOM 0 HA LEU A 20 0.293 -7.011 2.391 1.00 0.00 H new ATOM 0 HB2 LEU A 20 2.250 -4.723 1.982 1.00 0.00 H new ATOM 0 HB3 LEU A 20 2.026 -6.011 0.814 1.00 0.00 H new ATOM 0 HG LEU A 20 -0.174 -4.114 1.735 1.00 0.00 H new ATOM 0 HD11 LEU A 20 0.065 -3.108 -0.493 1.00 0.00 H new ATOM 0 HD12 LEU A 20 1.564 -2.953 0.454 1.00 0.00 H new ATOM 0 HD13 LEU A 20 1.445 -4.179 -0.831 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -1.421 -5.084 -0.158 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -0.068 -6.194 -0.481 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -0.987 -6.329 1.037 1.00 0.00 H new ATOM 302 N LYS A 21 3.168 -6.860 3.948 1.00 0.00 N ATOM 303 CA LYS A 21 4.277 -7.678 4.426 1.00 0.00 C ATOM 304 C LYS A 21 3.772 -8.886 5.206 1.00 0.00 C ATOM 305 O LYS A 21 4.366 -9.964 5.152 1.00 0.00 O ATOM 306 CB LYS A 21 5.220 -6.847 5.296 1.00 0.00 C ATOM 307 CG LYS A 21 6.093 -5.869 4.521 1.00 0.00 C ATOM 308 CD LYS A 21 7.043 -5.123 5.445 1.00 0.00 C ATOM 309 CE LYS A 21 8.004 -4.243 4.659 1.00 0.00 C ATOM 310 NZ LYS A 21 8.915 -3.477 5.552 1.00 0.00 N ATOM 0 H LYS A 21 3.134 -5.922 4.347 1.00 0.00 H new ATOM 0 HA LYS A 21 4.826 -8.038 3.556 1.00 0.00 H new ATOM 0 HB2 LYS A 21 4.628 -6.290 6.022 1.00 0.00 H new ATOM 0 HB3 LYS A 21 5.864 -7.522 5.860 1.00 0.00 H new ATOM 0 HG2 LYS A 21 6.665 -6.409 3.766 1.00 0.00 H new ATOM 0 HG3 LYS A 21 5.462 -5.155 3.992 1.00 0.00 H new ATOM 0 HD2 LYS A 21 6.470 -4.509 6.140 1.00 0.00 H new ATOM 0 HD3 LYS A 21 7.608 -5.838 6.043 1.00 0.00 H new ATOM 0 HE2 LYS A 21 8.594 -4.863 3.984 1.00 0.00 H new ATOM 0 HE3 LYS A 21 7.436 -3.549 4.039 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 9.553 -2.891 4.977 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 8.354 -2.866 6.179 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 9.476 -4.139 6.126 1.00 0.00 H new ATOM 324 N ILE A 22 2.674 -8.700 5.929 1.00 0.00 N ATOM 325 CA ILE A 22 2.025 -9.800 6.633 1.00 0.00 C ATOM 326 C ILE A 22 1.437 -10.810 5.656 1.00 0.00 C ATOM 327 O ILE A 22 1.515 -12.018 5.874 1.00 0.00 O ATOM 328 CB ILE A 22 0.910 -9.294 7.566 1.00 0.00 C ATOM 329 CG1 ILE A 22 1.506 -8.488 8.724 1.00 0.00 C ATOM 330 CG2 ILE A 22 0.087 -10.460 8.093 1.00 0.00 C ATOM 331 CD1 ILE A 22 0.482 -7.712 9.520 1.00 0.00 C ATOM 0 H ILE A 22 2.214 -7.797 6.043 1.00 0.00 H new ATOM 0 HA ILE A 22 2.795 -10.286 7.232 1.00 0.00 H new ATOM 0 HB ILE A 22 0.251 -8.640 6.995 1.00 0.00 H new ATOM 0 HG12 ILE A 22 2.033 -9.168 9.393 1.00 0.00 H new ATOM 0 HG13 ILE A 22 2.246 -7.793 8.327 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -0.697 -10.084 8.751 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -0.366 -10.993 7.257 1.00 0.00 H new ATOM 0 HG23 ILE A 22 0.733 -11.139 8.649 1.00 0.00 H new ATOM 0 HD11 ILE A 22 0.981 -7.167 10.322 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -0.029 -7.006 8.865 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -0.245 -8.402 9.948 1.00 0.00 H new ATOM 343 N TYR A 23 0.849 -10.306 4.575 1.00 0.00 N ATOM 344 CA TYR A 23 0.244 -11.163 3.563 1.00 0.00 C ATOM 345 C TYR A 23 1.305 -11.948 2.801 1.00 0.00 C ATOM 346 O TYR A 23 1.053 -13.059 2.335 1.00 0.00 O ATOM 347 CB TYR A 23 -0.594 -10.332 2.589 1.00 0.00 C ATOM 348 CG TYR A 23 -1.918 -9.874 3.157 1.00 0.00 C ATOM 349 CD1 TYR A 23 -2.887 -10.793 3.532 1.00 0.00 C ATOM 350 CD2 TYR A 23 -2.199 -8.524 3.313 1.00 0.00 C ATOM 351 CE1 TYR A 23 -4.099 -10.381 4.051 1.00 0.00 C ATOM 352 CE2 TYR A 23 -3.408 -8.100 3.831 1.00 0.00 C ATOM 353 CZ TYR A 23 -4.356 -9.033 4.199 1.00 0.00 C ATOM 354 OH TYR A 23 -5.562 -8.618 4.714 1.00 0.00 O ATOM 0 H TYR A 23 0.779 -9.308 4.378 1.00 0.00 H new ATOM 0 HA TYR A 23 -0.406 -11.874 4.073 1.00 0.00 H new ATOM 0 HB2 TYR A 23 -0.019 -9.458 2.284 1.00 0.00 H new ATOM 0 HB3 TYR A 23 -0.779 -10.921 1.691 1.00 0.00 H new ATOM 0 HD1 TYR A 23 -2.690 -11.849 3.416 1.00 0.00 H new ATOM 0 HD2 TYR A 23 -1.460 -7.792 3.024 1.00 0.00 H new ATOM 0 HE1 TYR A 23 -4.842 -11.110 4.340 1.00 0.00 H new ATOM 0 HE2 TYR A 23 -3.610 -7.045 3.947 1.00 0.00 H new ATOM 0 HH TYR A 23 -5.582 -7.639 4.753 1.00 0.00 H new ATOM 364 N GLY A 24 2.492 -11.365 2.679 1.00 0.00 N ATOM 365 CA GLY A 24 3.616 -12.040 2.043 1.00 0.00 C ATOM 366 C GLY A 24 3.995 -11.363 0.732 1.00 0.00 C ATOM 367 O GLY A 24 4.534 -12.000 -0.173 1.00 0.00 O ATOM 0 H GLY A 24 2.701 -10.424 3.013 1.00 0.00 H new ATOM 0 HA2 GLY A 24 4.473 -12.039 2.717 1.00 0.00 H new ATOM 0 HA3 GLY A 24 3.359 -13.083 1.856 1.00 0.00 H new ATOM 371 N ILE A 25 3.711 -10.069 0.637 1.00 0.00 N ATOM 372 CA ILE A 25 4.048 -9.296 -0.553 1.00 0.00 C ATOM 373 C ILE A 25 5.516 -8.892 -0.550 1.00 0.00 C ATOM 374 O ILE A 25 6.044 -8.442 0.467 1.00 0.00 O ATOM 375 CB ILE A 25 3.177 -8.032 -0.671 1.00 0.00 C ATOM 376 CG1 ILE A 25 1.799 -8.384 -1.236 1.00 0.00 C ATOM 377 CG2 ILE A 25 3.864 -6.993 -1.543 1.00 0.00 C ATOM 378 CD1 ILE A 25 0.876 -9.035 -0.232 1.00 0.00 C ATOM 0 H ILE A 25 3.248 -9.533 1.370 1.00 0.00 H new ATOM 0 HA ILE A 25 3.854 -9.940 -1.411 1.00 0.00 H new ATOM 0 HB ILE A 25 3.042 -7.609 0.325 1.00 0.00 H new ATOM 0 HG12 ILE A 25 1.328 -7.476 -1.613 1.00 0.00 H new ATOM 0 HG13 ILE A 25 1.926 -9.054 -2.087 1.00 0.00 H new ATOM 0 HG21 ILE A 25 3.235 -6.106 -1.616 1.00 0.00 H new ATOM 0 HG22 ILE A 25 4.823 -6.723 -1.100 1.00 0.00 H new ATOM 0 HG23 ILE A 25 4.028 -7.405 -2.539 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -0.081 -9.255 -0.706 1.00 0.00 H new ATOM 0 HD12 ILE A 25 1.324 -9.961 0.127 1.00 0.00 H new ATOM 0 HD13 ILE A 25 0.718 -8.359 0.608 1.00 0.00 H new ATOM 390 N GLY A 26 6.173 -9.056 -1.693 1.00 0.00 N ATOM 391 CA GLY A 26 7.595 -8.758 -1.810 1.00 0.00 C ATOM 392 C GLY A 26 7.829 -7.273 -2.055 1.00 0.00 C ATOM 393 O GLY A 26 6.882 -6.506 -2.229 1.00 0.00 O ATOM 0 H GLY A 26 5.742 -9.394 -2.553 1.00 0.00 H new ATOM 0 HA2 GLY A 26 8.109 -9.064 -0.899 1.00 0.00 H new ATOM 0 HA3 GLY A 26 8.024 -9.336 -2.628 1.00 0.00 H new ATOM 397 N GLU A 27 9.096 -6.873 -2.069 1.00 0.00 N ATOM 398 CA GLU A 27 9.454 -5.464 -2.189 1.00 0.00 C ATOM 399 C GLU A 27 9.044 -4.906 -3.546 1.00 0.00 C ATOM 400 O GLU A 27 8.788 -3.710 -3.684 1.00 0.00 O ATOM 401 CB GLU A 27 10.957 -5.273 -1.973 1.00 0.00 C ATOM 402 CG GLU A 27 11.417 -5.479 -0.537 1.00 0.00 C ATOM 403 CD GLU A 27 12.909 -5.345 -0.416 1.00 0.00 C ATOM 404 OE1 GLU A 27 13.553 -5.169 -1.423 1.00 0.00 O ATOM 405 OE2 GLU A 27 13.395 -5.307 0.688 1.00 0.00 O ATOM 0 H GLU A 27 9.893 -7.505 -1.999 1.00 0.00 H new ATOM 0 HA GLU A 27 8.914 -4.915 -1.418 1.00 0.00 H new ATOM 0 HB2 GLU A 27 11.496 -5.968 -2.617 1.00 0.00 H new ATOM 0 HB3 GLU A 27 11.232 -4.267 -2.289 1.00 0.00 H new ATOM 0 HG2 GLU A 27 10.931 -4.750 0.111 1.00 0.00 H new ATOM 0 HG3 GLU A 27 11.109 -6.466 -0.193 1.00 0.00 H new ATOM 412 N HIS A 28 8.985 -5.779 -4.545 1.00 0.00 N ATOM 413 CA HIS A 28 8.630 -5.371 -5.900 1.00 0.00 C ATOM 414 C HIS A 28 7.356 -4.535 -5.906 1.00 0.00 C ATOM 415 O HIS A 28 7.251 -3.552 -6.640 1.00 0.00 O ATOM 416 CB HIS A 28 8.460 -6.593 -6.807 1.00 0.00 C ATOM 417 CG HIS A 28 8.079 -6.250 -8.214 1.00 0.00 C ATOM 418 ND1 HIS A 28 8.989 -5.771 -9.133 1.00 0.00 N ATOM 419 CD2 HIS A 28 6.890 -6.314 -8.857 1.00 0.00 C ATOM 420 CE1 HIS A 28 8.374 -5.557 -10.285 1.00 0.00 C ATOM 421 NE2 HIS A 28 7.101 -5.878 -10.143 1.00 0.00 N ATOM 0 H HIS A 28 9.179 -6.775 -4.442 1.00 0.00 H new ATOM 0 HA HIS A 28 9.445 -4.758 -6.285 1.00 0.00 H new ATOM 0 HB2 HIS A 28 9.392 -7.157 -6.820 1.00 0.00 H new ATOM 0 HB3 HIS A 28 7.698 -7.246 -6.383 1.00 0.00 H new ATOM 0 HD2 HIS A 28 5.951 -6.646 -8.438 1.00 0.00 H new ATOM 0 HE1 HIS A 28 8.835 -5.183 -11.188 1.00 0.00 H new ATOM 0 HE2 HIS A 28 6.389 -5.813 -10.871 1.00 0.00 H new ATOM 428 N TYR A 29 6.390 -4.933 -5.085 1.00 0.00 N ATOM 429 CA TYR A 29 5.100 -4.253 -5.035 1.00 0.00 C ATOM 430 C TYR A 29 5.083 -3.186 -3.948 1.00 0.00 C ATOM 431 O TYR A 29 4.425 -2.155 -4.089 1.00 0.00 O ATOM 432 CB TYR A 29 3.974 -5.262 -4.797 1.00 0.00 C ATOM 433 CG TYR A 29 3.859 -6.318 -5.874 1.00 0.00 C ATOM 434 CD1 TYR A 29 3.159 -6.067 -7.044 1.00 0.00 C ATOM 435 CD2 TYR A 29 4.452 -7.563 -5.717 1.00 0.00 C ATOM 436 CE1 TYR A 29 3.050 -7.028 -8.031 1.00 0.00 C ATOM 437 CE2 TYR A 29 4.351 -8.531 -6.697 1.00 0.00 C ATOM 438 CZ TYR A 29 3.648 -8.259 -7.855 1.00 0.00 C ATOM 439 OH TYR A 29 3.543 -9.219 -8.834 1.00 0.00 O ATOM 0 H TYR A 29 6.475 -5.723 -4.445 1.00 0.00 H new ATOM 0 HA TYR A 29 4.942 -3.764 -5.996 1.00 0.00 H new ATOM 0 HB2 TYR A 29 4.136 -5.752 -3.837 1.00 0.00 H new ATOM 0 HB3 TYR A 29 3.028 -4.726 -4.725 1.00 0.00 H new ATOM 0 HD1 TYR A 29 2.691 -5.104 -7.186 1.00 0.00 H new ATOM 0 HD2 TYR A 29 5.002 -7.779 -4.813 1.00 0.00 H new ATOM 0 HE1 TYR A 29 2.499 -6.817 -8.936 1.00 0.00 H new ATOM 0 HE2 TYR A 29 4.819 -9.495 -6.559 1.00 0.00 H new ATOM 0 HH TYR A 29 4.021 -10.027 -8.553 1.00 0.00 H new ATOM 449 N ILE A 30 5.809 -3.438 -2.865 1.00 0.00 N ATOM 450 CA ILE A 30 5.881 -2.497 -1.754 1.00 0.00 C ATOM 451 C ILE A 30 6.401 -1.142 -2.213 1.00 0.00 C ATOM 452 O ILE A 30 5.997 -0.102 -1.693 1.00 0.00 O ATOM 453 CB ILE A 30 6.782 -3.027 -0.622 1.00 0.00 C ATOM 454 CG1 ILE A 30 6.107 -4.200 0.093 1.00 0.00 C ATOM 455 CG2 ILE A 30 7.107 -1.914 0.363 1.00 0.00 C ATOM 456 CD1 ILE A 30 7.020 -4.945 1.039 1.00 0.00 C ATOM 0 H ILE A 30 6.357 -4.288 -2.733 1.00 0.00 H new ATOM 0 HA ILE A 30 4.866 -2.382 -1.373 1.00 0.00 H new ATOM 0 HB ILE A 30 7.715 -3.382 -1.059 1.00 0.00 H new ATOM 0 HG12 ILE A 30 5.248 -3.828 0.650 1.00 0.00 H new ATOM 0 HG13 ILE A 30 5.725 -4.897 -0.653 1.00 0.00 H new ATOM 0 HG21 ILE A 30 7.744 -2.305 1.156 1.00 0.00 H new ATOM 0 HG22 ILE A 30 7.627 -1.109 -0.156 1.00 0.00 H new ATOM 0 HG23 ILE A 30 6.183 -1.530 0.796 1.00 0.00 H new ATOM 0 HD11 ILE A 30 6.471 -5.761 1.508 1.00 0.00 H new ATOM 0 HD12 ILE A 30 7.867 -5.349 0.485 1.00 0.00 H new ATOM 0 HD13 ILE A 30 7.382 -4.263 1.808 1.00 0.00 H new ATOM 468 N LYS A 31 7.301 -1.159 -3.190 1.00 0.00 N ATOM 469 CA LYS A 31 7.887 0.069 -3.715 1.00 0.00 C ATOM 470 C LYS A 31 6.817 0.984 -4.296 1.00 0.00 C ATOM 471 O LYS A 31 6.964 2.207 -4.292 1.00 0.00 O ATOM 472 CB LYS A 31 8.939 -0.251 -4.778 1.00 0.00 C ATOM 473 CG LYS A 31 10.231 -0.839 -4.227 1.00 0.00 C ATOM 474 CD LYS A 31 11.200 -1.193 -5.346 1.00 0.00 C ATOM 475 CE LYS A 31 12.485 -1.796 -4.797 1.00 0.00 C ATOM 476 NZ LYS A 31 13.437 -2.158 -5.881 1.00 0.00 N ATOM 0 H LYS A 31 7.641 -2.011 -3.635 1.00 0.00 H new ATOM 0 HA LYS A 31 8.368 0.590 -2.887 1.00 0.00 H new ATOM 0 HB2 LYS A 31 8.512 -0.952 -5.495 1.00 0.00 H new ATOM 0 HB3 LYS A 31 9.174 0.662 -5.326 1.00 0.00 H new ATOM 0 HG2 LYS A 31 10.699 -0.124 -3.551 1.00 0.00 H new ATOM 0 HG3 LYS A 31 10.007 -1.731 -3.642 1.00 0.00 H new ATOM 0 HD2 LYS A 31 10.728 -1.899 -6.029 1.00 0.00 H new ATOM 0 HD3 LYS A 31 11.434 -0.299 -5.924 1.00 0.00 H new ATOM 0 HE2 LYS A 31 12.959 -1.085 -4.120 1.00 0.00 H new ATOM 0 HE3 LYS A 31 12.248 -2.684 -4.211 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 14.299 -2.565 -5.465 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 12.995 -2.856 -6.513 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 13.684 -1.307 -6.425 1.00 0.00 H new ATOM 490 N LEU A 32 5.741 0.386 -4.795 1.00 0.00 N ATOM 491 CA LEU A 32 4.658 1.145 -5.410 1.00 0.00 C ATOM 492 C LEU A 32 4.042 2.126 -4.420 1.00 0.00 C ATOM 493 O LEU A 32 3.879 3.308 -4.723 1.00 0.00 O ATOM 494 CB LEU A 32 3.586 0.192 -5.955 1.00 0.00 C ATOM 495 CG LEU A 32 4.032 -0.687 -7.130 1.00 0.00 C ATOM 496 CD1 LEU A 32 2.963 -1.728 -7.437 1.00 0.00 C ATOM 497 CD2 LEU A 32 4.299 0.186 -8.347 1.00 0.00 C ATOM 0 H LEU A 32 5.595 -0.623 -4.786 1.00 0.00 H new ATOM 0 HA LEU A 32 5.074 1.720 -6.237 1.00 0.00 H new ATOM 0 HB2 LEU A 32 3.251 -0.455 -5.144 1.00 0.00 H new ATOM 0 HB3 LEU A 32 2.724 0.781 -6.269 1.00 0.00 H new ATOM 0 HG LEU A 32 4.952 -1.209 -6.865 1.00 0.00 H new ATOM 0 HD11 LEU A 32 3.288 -2.348 -8.273 1.00 0.00 H new ATOM 0 HD12 LEU A 32 2.804 -2.356 -6.560 1.00 0.00 H new ATOM 0 HD13 LEU A 32 2.031 -1.226 -7.698 1.00 0.00 H new ATOM 0 HD21 LEU A 32 4.616 -0.440 -9.181 1.00 0.00 H new ATOM 0 HD22 LEU A 32 3.388 0.719 -8.619 1.00 0.00 H new ATOM 0 HD23 LEU A 32 5.085 0.905 -8.114 1.00 0.00 H new ATOM 509 N ILE A 33 3.701 1.628 -3.236 1.00 0.00 N ATOM 510 CA ILE A 33 3.122 2.465 -2.192 1.00 0.00 C ATOM 511 C ILE A 33 4.136 3.475 -1.671 1.00 0.00 C ATOM 512 O ILE A 33 3.784 4.610 -1.345 1.00 0.00 O ATOM 513 CB ILE A 33 2.603 1.619 -1.014 1.00 0.00 C ATOM 514 CG1 ILE A 33 1.366 0.820 -1.436 1.00 0.00 C ATOM 515 CG2 ILE A 33 2.285 2.507 0.179 1.00 0.00 C ATOM 516 CD1 ILE A 33 0.928 -0.208 -0.418 1.00 0.00 C ATOM 0 H ILE A 33 3.816 0.648 -2.976 1.00 0.00 H new ATOM 0 HA ILE A 33 2.284 2.996 -2.643 1.00 0.00 H new ATOM 0 HB ILE A 33 3.383 0.917 -0.720 1.00 0.00 H new ATOM 0 HG12 ILE A 33 0.543 1.511 -1.618 1.00 0.00 H new ATOM 0 HG13 ILE A 33 1.574 0.317 -2.380 1.00 0.00 H new ATOM 0 HG21 ILE A 33 1.920 1.893 1.002 1.00 0.00 H new ATOM 0 HG22 ILE A 33 3.187 3.033 0.491 1.00 0.00 H new ATOM 0 HG23 ILE A 33 1.520 3.232 -0.100 1.00 0.00 H new ATOM 0 HD11 ILE A 33 0.047 -0.733 -0.787 1.00 0.00 H new ATOM 0 HD12 ILE A 33 1.734 -0.923 -0.253 1.00 0.00 H new ATOM 0 HD13 ILE A 33 0.687 0.290 0.521 1.00 0.00 H new ATOM 528 N GLU A 34 5.394 3.058 -1.594 1.00 0.00 N ATOM 529 CA GLU A 34 6.469 3.940 -1.155 1.00 0.00 C ATOM 530 C GLU A 34 6.592 5.154 -2.068 1.00 0.00 C ATOM 531 O GLU A 34 6.927 6.249 -1.618 1.00 0.00 O ATOM 532 CB GLU A 34 7.798 3.183 -1.105 1.00 0.00 C ATOM 533 CG GLU A 34 7.899 2.165 0.022 1.00 0.00 C ATOM 534 CD GLU A 34 9.191 1.400 -0.047 1.00 0.00 C ATOM 535 OE1 GLU A 34 9.929 1.600 -0.983 1.00 0.00 O ATOM 536 OE2 GLU A 34 9.496 0.700 0.890 1.00 0.00 O ATOM 0 H GLU A 34 5.695 2.113 -1.830 1.00 0.00 H new ATOM 0 HA GLU A 34 6.224 4.290 -0.152 1.00 0.00 H new ATOM 0 HB2 GLU A 34 7.946 2.671 -2.056 1.00 0.00 H new ATOM 0 HB3 GLU A 34 8.609 3.904 -1.001 1.00 0.00 H new ATOM 0 HG2 GLU A 34 7.827 2.675 0.983 1.00 0.00 H new ATOM 0 HG3 GLU A 34 7.060 1.472 -0.035 1.00 0.00 H new ATOM 543 N LYS A 35 6.320 4.951 -3.352 1.00 0.00 N ATOM 544 CA LYS A 35 6.477 6.008 -4.344 1.00 0.00 C ATOM 545 C LYS A 35 5.160 6.734 -4.588 1.00 0.00 C ATOM 546 O LYS A 35 5.058 7.573 -5.483 1.00 0.00 O ATOM 547 CB LYS A 35 7.011 5.436 -5.658 1.00 0.00 C ATOM 548 CG LYS A 35 8.423 4.870 -5.569 1.00 0.00 C ATOM 549 CD LYS A 35 8.914 4.393 -6.928 1.00 0.00 C ATOM 550 CE LYS A 35 10.307 3.788 -6.832 1.00 0.00 C ATOM 551 NZ LYS A 35 10.819 3.357 -8.161 1.00 0.00 N ATOM 0 H LYS A 35 5.989 4.063 -3.731 1.00 0.00 H new ATOM 0 HA LYS A 35 7.197 6.727 -3.952 1.00 0.00 H new ATOM 0 HB2 LYS A 35 6.338 4.649 -5.998 1.00 0.00 H new ATOM 0 HB3 LYS A 35 6.994 6.220 -6.415 1.00 0.00 H new ATOM 0 HG2 LYS A 35 9.099 5.633 -5.183 1.00 0.00 H new ATOM 0 HG3 LYS A 35 8.441 4.041 -4.862 1.00 0.00 H new ATOM 0 HD2 LYS A 35 8.221 3.653 -7.328 1.00 0.00 H new ATOM 0 HD3 LYS A 35 8.926 5.229 -7.627 1.00 0.00 H new ATOM 0 HE2 LYS A 35 10.991 4.518 -6.399 1.00 0.00 H new ATOM 0 HE3 LYS A 35 10.285 2.933 -6.157 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 11.770 2.951 -8.052 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 10.181 2.641 -8.563 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 10.864 4.178 -8.798 1.00 0.00 H new ATOM 565 N ALA A 36 4.152 6.408 -3.785 1.00 0.00 N ATOM 566 CA ALA A 36 2.845 7.041 -3.900 1.00 0.00 C ATOM 567 C ALA A 36 2.912 8.516 -3.523 1.00 0.00 C ATOM 568 O ALA A 36 3.775 8.930 -2.749 1.00 0.00 O ATOM 569 CB ALA A 36 1.826 6.315 -3.033 1.00 0.00 C ATOM 0 H ALA A 36 4.217 5.707 -3.046 1.00 0.00 H new ATOM 0 HA ALA A 36 2.529 6.975 -4.941 1.00 0.00 H new ATOM 0 HB1 ALA A 36 0.855 6.800 -3.130 1.00 0.00 H new ATOM 0 HB2 ALA A 36 1.747 5.277 -3.356 1.00 0.00 H new ATOM 0 HB3 ALA A 36 2.146 6.348 -1.991 1.00 0.00 H new ATOM 575 N LYS A 37 1.997 9.305 -4.075 1.00 0.00 N ATOM 576 CA LYS A 37 1.998 10.747 -3.859 1.00 0.00 C ATOM 577 C LYS A 37 0.819 11.175 -2.994 1.00 0.00 C ATOM 578 O LYS A 37 0.757 12.313 -2.531 1.00 0.00 O ATOM 579 CB LYS A 37 1.966 11.488 -5.196 1.00 0.00 C ATOM 580 CG LYS A 37 3.193 11.264 -6.069 1.00 0.00 C ATOM 581 CD LYS A 37 3.104 12.059 -7.364 1.00 0.00 C ATOM 582 CE LYS A 37 4.319 11.818 -8.248 1.00 0.00 C ATOM 583 NZ LYS A 37 4.224 12.553 -9.538 1.00 0.00 N ATOM 0 H LYS A 37 1.244 8.970 -4.676 1.00 0.00 H new ATOM 0 HA LYS A 37 2.917 11.005 -3.333 1.00 0.00 H new ATOM 0 HB2 LYS A 37 1.080 11.176 -5.749 1.00 0.00 H new ATOM 0 HB3 LYS A 37 1.862 12.556 -5.003 1.00 0.00 H new ATOM 0 HG2 LYS A 37 4.089 11.556 -5.522 1.00 0.00 H new ATOM 0 HG3 LYS A 37 3.290 10.203 -6.297 1.00 0.00 H new ATOM 0 HD2 LYS A 37 2.199 11.779 -7.903 1.00 0.00 H new ATOM 0 HD3 LYS A 37 3.023 13.122 -7.136 1.00 0.00 H new ATOM 0 HE2 LYS A 37 5.220 12.129 -7.719 1.00 0.00 H new ATOM 0 HE3 LYS A 37 4.418 10.751 -8.445 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 5.071 12.361 -10.110 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 3.379 12.238 -10.055 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 4.156 13.574 -9.352 1.00 0.00 H new ATOM 597 N GLN A 38 -0.117 10.256 -2.782 1.00 0.00 N ATOM 598 CA GLN A 38 -1.308 10.543 -1.991 1.00 0.00 C ATOM 599 C GLN A 38 -1.894 9.270 -1.395 1.00 0.00 C ATOM 600 O GLN A 38 -1.639 8.169 -1.884 1.00 0.00 O ATOM 601 CB GLN A 38 -2.364 11.246 -2.849 1.00 0.00 C ATOM 602 CG GLN A 38 -2.875 10.414 -4.013 1.00 0.00 C ATOM 603 CD GLN A 38 -3.836 11.185 -4.897 1.00 0.00 C ATOM 604 OE1 GLN A 38 -4.105 12.366 -4.664 1.00 0.00 O ATOM 605 NE2 GLN A 38 -4.363 10.518 -5.918 1.00 0.00 N ATOM 0 H GLN A 38 -0.074 9.305 -3.148 1.00 0.00 H new ATOM 0 HA GLN A 38 -1.012 11.202 -1.174 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -3.207 11.520 -2.215 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -1.942 12.173 -3.237 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -2.030 10.073 -4.611 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -3.373 9.524 -3.629 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -4.112 9.542 -6.073 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -5.018 10.982 -6.547 1.00 0.00 H new ATOM 614 N VAL A 39 -2.681 9.426 -0.336 1.00 0.00 N ATOM 615 CA VAL A 39 -3.231 8.284 0.384 1.00 0.00 C ATOM 616 C VAL A 39 -4.191 7.490 -0.492 1.00 0.00 C ATOM 617 O VAL A 39 -4.296 6.269 -0.366 1.00 0.00 O ATOM 618 CB VAL A 39 -3.967 8.725 1.665 1.00 0.00 C ATOM 619 CG1 VAL A 39 -4.688 7.545 2.298 1.00 0.00 C ATOM 620 CG2 VAL A 39 -2.991 9.343 2.654 1.00 0.00 C ATOM 0 H VAL A 39 -2.952 10.333 0.043 1.00 0.00 H new ATOM 0 HA VAL A 39 -2.387 7.651 0.659 1.00 0.00 H new ATOM 0 HB VAL A 39 -4.708 9.478 1.394 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -5.202 7.875 3.201 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -5.415 7.142 1.593 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -3.964 6.771 2.554 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -3.528 9.649 3.552 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -2.228 8.611 2.918 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -2.516 10.214 2.201 1.00 0.00 H new ATOM 630 N ALA A 40 -4.889 8.189 -1.380 1.00 0.00 N ATOM 631 CA ALA A 40 -5.758 7.538 -2.355 1.00 0.00 C ATOM 632 C ALA A 40 -4.984 6.535 -3.200 1.00 0.00 C ATOM 633 O ALA A 40 -5.462 5.431 -3.463 1.00 0.00 O ATOM 634 CB ALA A 40 -6.430 8.577 -3.240 1.00 0.00 C ATOM 0 H ALA A 40 -4.870 9.207 -1.445 1.00 0.00 H new ATOM 0 HA ALA A 40 -6.528 6.991 -1.810 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -7.075 8.077 -3.962 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -7.028 9.248 -2.623 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -5.669 9.151 -3.769 1.00 0.00 H new ATOM 640 N ALA A 41 -3.787 6.925 -3.624 1.00 0.00 N ATOM 641 CA ALA A 41 -2.910 6.031 -4.371 1.00 0.00 C ATOM 642 C ALA A 41 -2.410 4.890 -3.493 1.00 0.00 C ATOM 643 O ALA A 41 -2.285 3.754 -3.948 1.00 0.00 O ATOM 644 CB ALA A 41 -1.739 6.805 -4.957 1.00 0.00 C ATOM 0 H ALA A 41 -3.401 7.855 -3.463 1.00 0.00 H new ATOM 0 HA ALA A 41 -3.487 5.597 -5.188 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -1.094 6.124 -5.512 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -2.113 7.578 -5.628 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -1.170 7.269 -4.151 1.00 0.00 H new ATOM 650 N VAL A 42 -2.125 5.201 -2.234 1.00 0.00 N ATOM 651 CA VAL A 42 -1.684 4.193 -1.276 1.00 0.00 C ATOM 652 C VAL A 42 -2.726 3.096 -1.113 1.00 0.00 C ATOM 653 O VAL A 42 -2.397 1.910 -1.104 1.00 0.00 O ATOM 654 CB VAL A 42 -1.386 4.814 0.101 1.00 0.00 C ATOM 655 CG1 VAL A 42 -1.160 3.724 1.139 1.00 0.00 C ATOM 656 CG2 VAL A 42 -0.175 5.732 0.023 1.00 0.00 C ATOM 0 H VAL A 42 -2.191 6.144 -1.852 1.00 0.00 H new ATOM 0 HA VAL A 42 -0.766 3.761 -1.675 1.00 0.00 H new ATOM 0 HB VAL A 42 -2.249 5.407 0.404 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -0.951 4.181 2.106 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -2.053 3.104 1.216 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -0.314 3.106 0.839 1.00 0.00 H new ATOM 0 HG21 VAL A 42 0.020 6.161 1.006 1.00 0.00 H new ATOM 0 HG22 VAL A 42 0.694 5.161 -0.302 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -0.371 6.533 -0.690 1.00 0.00 H new ATOM 666 N GLU A 43 -3.986 3.498 -0.985 1.00 0.00 N ATOM 667 CA GLU A 43 -5.075 2.551 -0.770 1.00 0.00 C ATOM 668 C GLU A 43 -5.360 1.743 -2.029 1.00 0.00 C ATOM 669 O GLU A 43 -5.548 0.528 -1.968 1.00 0.00 O ATOM 670 CB GLU A 43 -6.340 3.284 -0.317 1.00 0.00 C ATOM 671 CG GLU A 43 -6.263 3.866 1.087 1.00 0.00 C ATOM 672 CD GLU A 43 -7.494 4.662 1.416 1.00 0.00 C ATOM 673 OE1 GLU A 43 -8.335 4.801 0.562 1.00 0.00 O ATOM 674 OE2 GLU A 43 -7.647 5.038 2.556 1.00 0.00 O ATOM 0 H GLU A 43 -4.279 4.474 -1.026 1.00 0.00 H new ATOM 0 HA GLU A 43 -4.766 1.860 0.014 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -6.549 4.090 -1.020 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -7.182 2.593 -0.365 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -6.144 3.060 1.811 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -5.382 4.503 1.171 1.00 0.00 H new ATOM 681 N ASP A 44 -5.391 2.424 -3.169 1.00 0.00 N ATOM 682 CA ASP A 44 -5.643 1.769 -4.446 1.00 0.00 C ATOM 683 C ASP A 44 -4.550 0.761 -4.775 1.00 0.00 C ATOM 684 O ASP A 44 -4.831 -0.353 -5.215 1.00 0.00 O ATOM 685 CB ASP A 44 -5.757 2.805 -5.568 1.00 0.00 C ATOM 686 CG ASP A 44 -7.050 3.611 -5.551 1.00 0.00 C ATOM 687 OD1 ASP A 44 -7.953 3.233 -4.843 1.00 0.00 O ATOM 688 OD2 ASP A 44 -7.069 4.676 -6.121 1.00 0.00 O ATOM 0 H ASP A 44 -5.244 3.431 -3.234 1.00 0.00 H new ATOM 0 HA ASP A 44 -6.588 1.232 -4.362 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -4.914 3.492 -5.499 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -5.674 2.294 -6.527 1.00 0.00 H new ATOM 693 N LEU A 45 -3.300 1.160 -4.558 1.00 0.00 N ATOM 694 CA LEU A 45 -2.165 0.271 -4.774 1.00 0.00 C ATOM 695 C LEU A 45 -2.193 -0.905 -3.808 1.00 0.00 C ATOM 696 O LEU A 45 -1.963 -2.049 -4.201 1.00 0.00 O ATOM 697 CB LEU A 45 -0.850 1.049 -4.631 1.00 0.00 C ATOM 698 CG LEU A 45 -0.547 2.035 -5.766 1.00 0.00 C ATOM 699 CD1 LEU A 45 0.632 2.921 -5.387 1.00 0.00 C ATOM 700 CD2 LEU A 45 -0.255 1.266 -7.045 1.00 0.00 C ATOM 0 H LEU A 45 -3.048 2.093 -4.233 1.00 0.00 H new ATOM 0 HA LEU A 45 -2.234 -0.127 -5.786 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -0.872 1.599 -3.690 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -0.029 0.335 -4.563 1.00 0.00 H new ATOM 0 HG LEU A 45 -1.414 2.674 -5.933 1.00 0.00 H new ATOM 0 HD11 LEU A 45 0.839 3.618 -6.199 1.00 0.00 H new ATOM 0 HD12 LEU A 45 0.391 3.480 -4.482 1.00 0.00 H new ATOM 0 HD13 LEU A 45 1.510 2.301 -5.208 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -0.040 1.968 -7.851 1.00 0.00 H new ATOM 0 HD22 LEU A 45 0.606 0.616 -6.890 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -1.122 0.662 -7.312 1.00 0.00 H new ATOM 712 N LYS A 46 -2.476 -0.618 -2.542 1.00 0.00 N ATOM 713 CA LYS A 46 -2.564 -1.656 -1.522 1.00 0.00 C ATOM 714 C LYS A 46 -3.494 -2.780 -1.959 1.00 0.00 C ATOM 715 O LYS A 46 -3.138 -3.956 -1.887 1.00 0.00 O ATOM 716 CB LYS A 46 -3.042 -1.064 -0.195 1.00 0.00 C ATOM 717 CG LYS A 46 -3.119 -2.066 0.949 1.00 0.00 C ATOM 718 CD LYS A 46 -3.704 -1.431 2.202 1.00 0.00 C ATOM 719 CE LYS A 46 -3.629 -2.378 3.390 1.00 0.00 C ATOM 720 NZ LYS A 46 -4.180 -1.763 4.629 1.00 0.00 N ATOM 0 H LYS A 46 -2.649 0.326 -2.197 1.00 0.00 H new ATOM 0 HA LYS A 46 -1.566 -2.073 -1.384 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -2.370 -0.255 0.091 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -4.028 -0.622 -0.342 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -3.732 -2.916 0.650 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -2.123 -2.451 1.165 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -3.164 -0.512 2.432 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -4.742 -1.154 2.021 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -4.180 -3.290 3.162 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -2.591 -2.666 3.559 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -3.859 -2.303 5.457 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -3.848 -0.781 4.706 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -5.219 -1.775 4.590 1.00 0.00 H new ATOM 734 N ASP A 47 -4.687 -2.412 -2.412 1.00 0.00 N ATOM 735 CA ASP A 47 -5.696 -3.391 -2.797 1.00 0.00 C ATOM 736 C ASP A 47 -5.267 -4.168 -4.035 1.00 0.00 C ATOM 737 O ASP A 47 -5.330 -5.397 -4.062 1.00 0.00 O ATOM 738 CB ASP A 47 -7.042 -2.706 -3.046 1.00 0.00 C ATOM 739 CG ASP A 47 -7.741 -2.214 -1.786 1.00 0.00 C ATOM 740 OD1 ASP A 47 -7.328 -2.592 -0.715 1.00 0.00 O ATOM 741 OD2 ASP A 47 -8.575 -1.347 -1.894 1.00 0.00 O ATOM 0 H ASP A 47 -4.979 -1.441 -2.522 1.00 0.00 H new ATOM 0 HA ASP A 47 -5.805 -4.096 -1.973 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -6.887 -1.859 -3.715 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -7.701 -3.404 -3.563 1.00 0.00 H new ATOM 746 N GLU A 48 -4.831 -3.443 -5.059 1.00 0.00 N ATOM 747 CA GLU A 48 -4.462 -4.056 -6.330 1.00 0.00 C ATOM 748 C GLU A 48 -3.244 -4.957 -6.175 1.00 0.00 C ATOM 749 O GLU A 48 -3.134 -5.988 -6.838 1.00 0.00 O ATOM 750 CB GLU A 48 -4.190 -2.980 -7.385 1.00 0.00 C ATOM 751 CG GLU A 48 -5.424 -2.204 -7.823 1.00 0.00 C ATOM 752 CD GLU A 48 -6.487 -3.123 -8.357 1.00 0.00 C ATOM 753 OE1 GLU A 48 -6.176 -3.938 -9.192 1.00 0.00 O ATOM 754 OE2 GLU A 48 -7.584 -3.086 -7.851 1.00 0.00 O ATOM 0 H GLU A 48 -4.724 -2.429 -5.034 1.00 0.00 H new ATOM 0 HA GLU A 48 -5.300 -4.671 -6.659 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -3.456 -2.278 -6.990 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -3.742 -3.451 -8.260 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -5.819 -1.639 -6.979 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -5.148 -1.480 -8.590 1.00 0.00 H new ATOM 761 N ILE A 49 -2.330 -4.560 -5.295 1.00 0.00 N ATOM 762 CA ILE A 49 -1.165 -5.378 -4.981 1.00 0.00 C ATOM 763 C ILE A 49 -1.570 -6.683 -4.309 1.00 0.00 C ATOM 764 O ILE A 49 -1.068 -7.753 -4.653 1.00 0.00 O ATOM 765 CB ILE A 49 -0.177 -4.628 -4.069 1.00 0.00 C ATOM 766 CG1 ILE A 49 0.514 -3.501 -4.843 1.00 0.00 C ATOM 767 CG2 ILE A 49 0.851 -5.589 -3.492 1.00 0.00 C ATOM 768 CD1 ILE A 49 1.260 -2.524 -3.963 1.00 0.00 C ATOM 0 H ILE A 49 -2.374 -3.677 -4.787 1.00 0.00 H new ATOM 0 HA ILE A 49 -0.674 -5.600 -5.929 1.00 0.00 H new ATOM 0 HB ILE A 49 -0.735 -4.187 -3.243 1.00 0.00 H new ATOM 0 HG12 ILE A 49 1.212 -3.938 -5.557 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -0.234 -2.958 -5.420 1.00 0.00 H new ATOM 0 HG21 ILE A 49 1.541 -5.041 -2.850 1.00 0.00 H new ATOM 0 HG22 ILE A 49 0.344 -6.357 -2.908 1.00 0.00 H new ATOM 0 HG23 ILE A 49 1.406 -6.059 -4.304 1.00 0.00 H new ATOM 0 HD11 ILE A 49 1.722 -1.756 -4.583 1.00 0.00 H new ATOM 0 HD12 ILE A 49 0.564 -2.058 -3.266 1.00 0.00 H new ATOM 0 HD13 ILE A 49 2.032 -3.053 -3.405 1.00 0.00 H new ATOM 780 N LEU A 50 -2.483 -6.588 -3.348 1.00 0.00 N ATOM 781 CA LEU A 50 -2.972 -7.764 -2.638 1.00 0.00 C ATOM 782 C LEU A 50 -3.727 -8.699 -3.573 1.00 0.00 C ATOM 783 O LEU A 50 -3.667 -9.920 -3.429 1.00 0.00 O ATOM 784 CB LEU A 50 -3.870 -7.341 -1.467 1.00 0.00 C ATOM 785 CG LEU A 50 -4.405 -8.492 -0.607 1.00 0.00 C ATOM 786 CD1 LEU A 50 -3.248 -9.316 -0.060 1.00 0.00 C ATOM 787 CD2 LEU A 50 -5.249 -7.928 0.528 1.00 0.00 C ATOM 0 H LEU A 50 -2.899 -5.708 -3.043 1.00 0.00 H new ATOM 0 HA LEU A 50 -2.110 -8.305 -2.247 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -3.309 -6.661 -0.827 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -4.717 -6.780 -1.863 1.00 0.00 H new ATOM 0 HG LEU A 50 -5.029 -9.144 -1.218 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -3.638 -10.131 0.550 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -2.670 -9.726 -0.888 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -2.606 -8.681 0.551 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -5.630 -8.746 1.140 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -4.637 -7.269 1.144 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -6.085 -7.365 0.114 1.00 0.00 H new ATOM 799 N LYS A 51 -4.439 -8.119 -4.534 1.00 0.00 N ATOM 800 CA LYS A 51 -5.132 -8.899 -5.552 1.00 0.00 C ATOM 801 C LYS A 51 -4.150 -9.704 -6.393 1.00 0.00 C ATOM 802 O LYS A 51 -4.375 -10.882 -6.668 1.00 0.00 O ATOM 803 CB LYS A 51 -5.968 -7.986 -6.450 1.00 0.00 C ATOM 804 CG LYS A 51 -7.196 -7.391 -5.773 1.00 0.00 C ATOM 805 CD LYS A 51 -7.932 -6.436 -6.702 1.00 0.00 C ATOM 806 CE LYS A 51 -9.062 -5.719 -5.978 1.00 0.00 C ATOM 807 NZ LYS A 51 -9.753 -4.738 -6.858 1.00 0.00 N ATOM 0 H LYS A 51 -4.551 -7.110 -4.629 1.00 0.00 H new ATOM 0 HA LYS A 51 -5.796 -9.597 -5.042 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -5.337 -7.173 -6.810 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -6.289 -8.552 -7.325 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -7.868 -8.192 -5.465 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -6.895 -6.862 -4.869 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -7.231 -5.703 -7.102 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -8.335 -6.989 -7.551 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -9.783 -6.452 -5.615 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -8.664 -5.204 -5.104 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -10.447 -4.200 -6.300 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -9.054 -4.084 -7.265 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -10.242 -5.243 -7.624 1.00 0.00 H new ATOM 821 N ALA A 52 -3.062 -9.061 -6.800 1.00 0.00 N ATOM 822 CA ALA A 52 -2.011 -9.733 -7.555 1.00 0.00 C ATOM 823 C ALA A 52 -1.332 -10.809 -6.716 1.00 0.00 C ATOM 824 O ALA A 52 -0.949 -11.859 -7.229 1.00 0.00 O ATOM 825 CB ALA A 52 -0.989 -8.724 -8.056 1.00 0.00 C ATOM 0 H ALA A 52 -2.884 -8.073 -6.619 1.00 0.00 H new ATOM 0 HA ALA A 52 -2.472 -10.219 -8.414 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -0.211 -9.242 -8.617 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -1.481 -7.998 -8.703 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -0.541 -8.208 -7.207 1.00 0.00 H new ATOM 831 N HIS A 53 -1.186 -10.539 -5.423 1.00 0.00 N ATOM 832 CA HIS A 53 -0.589 -11.498 -4.502 1.00 0.00 C ATOM 833 C HIS A 53 -1.461 -12.739 -4.358 1.00 0.00 C ATOM 834 O HIS A 53 -0.969 -13.866 -4.417 1.00 0.00 O ATOM 835 CB HIS A 53 -0.355 -10.859 -3.130 1.00 0.00 C ATOM 836 CG HIS A 53 0.196 -11.807 -2.111 1.00 0.00 C ATOM 837 ND1 HIS A 53 1.463 -12.345 -2.203 1.00 0.00 N ATOM 838 CD2 HIS A 53 -0.347 -12.315 -0.979 1.00 0.00 C ATOM 839 CE1 HIS A 53 1.675 -13.142 -1.169 1.00 0.00 C ATOM 840 NE2 HIS A 53 0.593 -13.140 -0.413 1.00 0.00 N ATOM 0 H HIS A 53 -1.474 -9.662 -4.989 1.00 0.00 H new ATOM 0 HA HIS A 53 0.372 -11.800 -4.918 1.00 0.00 H new ATOM 0 HB2 HIS A 53 0.332 -10.020 -3.242 1.00 0.00 H new ATOM 0 HB3 HIS A 53 -1.297 -10.452 -2.763 1.00 0.00 H new ATOM 0 HD2 HIS A 53 -1.335 -12.109 -0.594 1.00 0.00 H new ATOM 0 HE1 HIS A 53 2.580 -13.700 -0.976 1.00 0.00 H new ATOM 0 HE2 HIS A 53 0.474 -13.667 0.452 1.00 0.00 H new ATOM 847 N ASP A 54 -2.758 -12.525 -4.167 1.00 0.00 N ATOM 848 CA ASP A 54 -3.701 -13.626 -4.008 1.00 0.00 C ATOM 849 C ASP A 54 -3.889 -14.384 -5.316 1.00 0.00 C ATOM 850 O ASP A 54 -4.155 -15.586 -5.314 1.00 0.00 O ATOM 851 CB ASP A 54 -5.050 -13.107 -3.503 1.00 0.00 C ATOM 852 CG ASP A 54 -5.053 -12.682 -2.041 1.00 0.00 C ATOM 853 OD1 ASP A 54 -4.113 -12.995 -1.349 1.00 0.00 O ATOM 854 OD2 ASP A 54 -5.912 -11.920 -1.666 1.00 0.00 O ATOM 0 H ASP A 54 -3.181 -11.598 -4.118 1.00 0.00 H new ATOM 0 HA ASP A 54 -3.288 -14.315 -3.271 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -5.351 -12.258 -4.116 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -5.801 -13.885 -3.644 1.00 0.00 H new ATOM 859 N ARG A 55 -3.747 -13.675 -6.430 1.00 0.00 N ATOM 860 CA ARG A 55 -3.885 -14.284 -7.748 1.00 0.00 C ATOM 861 C ARG A 55 -2.787 -15.310 -7.998 1.00 0.00 C ATOM 862 O ARG A 55 -1.615 -15.060 -7.717 1.00 0.00 O ATOM 863 CB ARG A 55 -3.938 -13.244 -8.858 1.00 0.00 C ATOM 864 CG ARG A 55 -4.171 -13.808 -10.251 1.00 0.00 C ATOM 865 CD ARG A 55 -4.254 -12.780 -11.321 1.00 0.00 C ATOM 866 NE ARG A 55 -4.456 -13.317 -12.657 1.00 0.00 N ATOM 867 CZ ARG A 55 -4.564 -12.570 -13.773 1.00 0.00 C ATOM 868 NH1 ARG A 55 -4.529 -11.257 -13.715 1.00 0.00 N ATOM 869 NH2 ARG A 55 -4.731 -13.192 -14.927 1.00 0.00 N ATOM 0 H ARG A 55 -3.536 -12.677 -6.447 1.00 0.00 H new ATOM 0 HA ARG A 55 -4.841 -14.807 -7.761 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -4.732 -12.532 -8.632 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -3.001 -12.687 -8.859 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -3.363 -14.500 -10.490 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -5.095 -14.386 -10.246 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -5.072 -12.098 -11.090 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -3.337 -12.192 -11.314 1.00 0.00 H new ATOM 0 HE ARG A 55 -4.520 -14.330 -12.756 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -4.419 -10.789 -12.815 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -4.612 -10.706 -14.570 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -4.775 -14.211 -14.956 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -4.816 -12.653 -15.789 1.00 0.00 H new ATOM 883 N PHE A 56 -3.174 -16.465 -8.528 1.00 0.00 N ATOM 884 CA PHE A 56 -2.221 -17.528 -8.827 1.00 0.00 C ATOM 885 C PHE A 56 -1.095 -17.022 -9.720 1.00 0.00 C ATOM 886 O PHE A 56 -0.183 -16.405 -9.244 1.00 0.00 O ATOM 887 CB PHE A 56 -2.931 -18.709 -9.492 1.00 0.00 C ATOM 888 CG PHE A 56 -2.023 -19.866 -9.799 1.00 0.00 C ATOM 889 CD1 PHE A 56 -1.643 -20.751 -8.801 1.00 0.00 C ATOM 890 CD2 PHE A 56 -1.546 -20.072 -11.084 1.00 0.00 C ATOM 891 CE1 PHE A 56 -0.808 -21.816 -9.082 1.00 0.00 C ATOM 892 CE2 PHE A 56 -0.712 -21.136 -11.368 1.00 0.00 C ATOM 893 CZ PHE A 56 -0.343 -22.009 -10.364 1.00 0.00 C ATOM 894 OXT PHE A 56 -1.121 -17.241 -10.900 1.00 0.00 O ATOM 0 H PHE A 56 -4.142 -16.689 -8.760 1.00 0.00 H new ATOM 0 HA PHE A 56 -1.784 -17.862 -7.886 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -3.734 -19.052 -8.840 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -3.395 -18.368 -10.417 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -2.003 -20.606 -7.793 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -1.830 -19.392 -11.873 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -0.520 -22.498 -8.295 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -0.349 -21.285 -12.374 1.00 0.00 H new ATOM 0 HZ PHE A 56 0.309 -22.842 -10.583 1.00 0.00 H new TER 904 PHE A 56