USER MOD reduce.3.24.130724 H: found=0, std=0, add=500, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 426 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 57 LYS NZ :NH3+ -138:sc= 1.19 (180deg=-0.251) USER MOD Set 1.2: A 60 THR OG1 : rot -110:sc= 0.999 USER MOD Set 2.1: A 3 ASN : amide:sc= 0.401 K(o=1.6,f=-2.1!) USER MOD Set 2.2: A 43 TYR OH : rot -172:sc= 1.17 USER MOD Set 3.1: A 14 SER OG : rot -90:sc= 0.978 USER MOD Set 3.2: A 21 TYR OH : rot 130:sc= 0.844 USER MOD Single : A 2 LYS NZ :NH3+ -165:sc= 1.49 (180deg=0.476!) USER MOD Single : A 5 TYR OH : rot 12:sc= 0.373 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 12 LYS NZ :NH3+ -159:sc= 2.47 (180deg=1.22) USER MOD Single : A 19 ASN : amide:sc= 0.164 K(o=0.16,f=-5.3!) USER MOD Single : A 20 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 23 ASN : amide:sc= 1.72 K(o=1.7,f=-0.0095) USER MOD Single : A 24 ASN : amide:sc=-0.00954 X(o=-0.0095,f=0) USER MOD Single : A 27 THR OG1 : rot 80:sc= 1.03 USER MOD Single : A 28 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00935) USER MOD Single : A 30 TYR OH : rot 13:sc= 1.27 USER MOD Single : A 31 TYR OH : rot -45:sc= 1.25 USER MOD Single : A 33 THR OG1 : rot -45:sc= 1.27 USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 36 TYR OH : rot -23:sc= 0.896 USER MOD Single : A 41 SER OG : rot 180:sc= 0.346 USER MOD Single : A 51 LYS NZ :NH3+ 129:sc= 1.16 (180deg=1.04) USER MOD Single : A 55 LYS NZ :NH3+ -165:sc= -0.262 (180deg=-0.703) USER MOD Single : A 61 LYS NZ :NH3+ 174:sc= 1.11 (180deg=1.01) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 GLN : amide:sc= 1.08 K(o=1.1,f=-0.31) USER MOD ----------------------------------------------------------------- ATOM 19 N LYS A 2 8.284 2.023 -6.967 1.00 0.00 N ATOM 20 CA LYS A 2 7.254 3.039 -7.123 1.00 0.00 C ATOM 21 C LYS A 2 6.362 2.993 -5.895 1.00 0.00 C ATOM 22 O LYS A 2 6.707 2.289 -4.957 1.00 0.00 O ATOM 23 CB LYS A 2 6.483 2.684 -8.393 1.00 0.00 C ATOM 24 CG LYS A 2 5.945 1.244 -8.314 1.00 0.00 C ATOM 25 CD LYS A 2 4.465 1.158 -7.970 1.00 0.00 C ATOM 26 CE LYS A 2 3.578 1.667 -9.107 1.00 0.00 C ATOM 27 NZ LYS A 2 2.166 1.549 -8.722 1.00 0.00 N ATOM 0 HA LYS A 2 7.657 4.048 -7.212 1.00 0.00 H new ATOM 0 HB2 LYS A 2 5.656 3.380 -8.529 1.00 0.00 H new ATOM 0 HB3 LYS A 2 7.134 2.788 -9.261 1.00 0.00 H new ATOM 0 HG2 LYS A 2 6.115 0.750 -9.270 1.00 0.00 H new ATOM 0 HG3 LYS A 2 6.515 0.694 -7.565 1.00 0.00 H new ATOM 0 HD2 LYS A 2 4.206 0.124 -7.744 1.00 0.00 H new ATOM 0 HD3 LYS A 2 4.268 1.740 -7.070 1.00 0.00 H new ATOM 0 HE2 LYS A 2 3.818 2.706 -9.332 1.00 0.00 H new ATOM 0 HE3 LYS A 2 3.767 1.093 -10.014 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 1.567 1.649 -9.566 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 2.001 0.618 -8.289 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 1.929 2.296 -8.038 1.00 0.00 H new ATOM 37 N ASN A 3 5.203 3.658 -5.898 1.00 0.00 N ATOM 38 CA ASN A 3 4.235 3.516 -4.814 1.00 0.00 C ATOM 39 C ASN A 3 2.876 3.108 -5.392 1.00 0.00 C ATOM 40 O ASN A 3 2.585 3.348 -6.570 1.00 0.00 O ATOM 41 CB ASN A 3 4.127 4.808 -4.000 1.00 0.00 C ATOM 42 CG ASN A 3 5.444 5.422 -3.520 1.00 0.00 C ATOM 43 OD1 ASN A 3 6.521 4.843 -3.609 1.00 0.00 O ATOM 44 ND2 ASN A 3 5.369 6.639 -3.009 1.00 0.00 N ATOM 0 H ASN A 3 4.915 4.298 -6.639 1.00 0.00 H new ATOM 0 HA ASN A 3 4.576 2.735 -4.134 1.00 0.00 H new ATOM 0 HB2 ASN A 3 3.604 5.550 -4.604 1.00 0.00 H new ATOM 0 HB3 ASN A 3 3.504 4.611 -3.128 1.00 0.00 H new ATOM 0 HD21 ASN A 3 6.214 7.108 -2.683 1.00 0.00 H new ATOM 0 HD22 ASN A 3 4.466 7.109 -2.941 1.00 0.00 H new ATOM 50 N GLY A 4 2.056 2.414 -4.607 1.00 0.00 N ATOM 51 CA GLY A 4 0.777 1.915 -5.090 1.00 0.00 C ATOM 52 C GLY A 4 -0.004 1.255 -3.966 1.00 0.00 C ATOM 53 O GLY A 4 0.550 1.009 -2.891 1.00 0.00 O ATOM 0 H GLY A 4 2.257 2.186 -3.633 1.00 0.00 H new ATOM 0 HA2 GLY A 4 0.196 2.736 -5.509 1.00 0.00 H new ATOM 0 HA3 GLY A 4 0.942 1.198 -5.894 1.00 0.00 H new ATOM 57 N TYR A 5 -1.289 0.973 -4.225 1.00 0.00 N ATOM 58 CA TYR A 5 -2.111 0.191 -3.321 1.00 0.00 C ATOM 59 C TYR A 5 -1.931 -1.294 -3.611 1.00 0.00 C ATOM 60 O TYR A 5 -2.415 -1.781 -4.628 1.00 0.00 O ATOM 61 CB TYR A 5 -3.600 0.550 -3.422 1.00 0.00 C ATOM 62 CG TYR A 5 -4.192 1.773 -2.741 1.00 0.00 C ATOM 63 CD1 TYR A 5 -3.673 2.284 -1.536 1.00 0.00 C ATOM 64 CD2 TYR A 5 -5.459 2.214 -3.178 1.00 0.00 C ATOM 65 CE1 TYR A 5 -4.391 3.257 -0.816 1.00 0.00 C ATOM 66 CE2 TYR A 5 -6.222 3.095 -2.398 1.00 0.00 C ATOM 67 CZ TYR A 5 -5.697 3.603 -1.204 1.00 0.00 C ATOM 68 OH TYR A 5 -6.470 4.418 -0.432 1.00 0.00 O ATOM 0 H TYR A 5 -1.776 1.284 -5.066 1.00 0.00 H new ATOM 0 HA TYR A 5 -1.782 0.423 -2.308 1.00 0.00 H new ATOM 0 HB2 TYR A 5 -3.827 0.644 -4.484 1.00 0.00 H new ATOM 0 HB3 TYR A 5 -4.155 -0.312 -3.052 1.00 0.00 H new ATOM 0 HD1 TYR A 5 -2.723 1.929 -1.164 1.00 0.00 H new ATOM 0 HD2 TYR A 5 -5.846 1.869 -4.125 1.00 0.00 H new ATOM 0 HE1 TYR A 5 -3.937 3.739 0.037 1.00 0.00 H new ATOM 0 HE2 TYR A 5 -7.213 3.381 -2.718 1.00 0.00 H new ATOM 0 HH TYR A 5 -5.916 4.833 0.262 1.00 0.00 H new ATOM 77 N ALA A 6 -1.251 -2.012 -2.721 1.00 0.00 N ATOM 78 CA ALA A 6 -0.876 -3.394 -2.958 1.00 0.00 C ATOM 79 C ALA A 6 -2.052 -4.351 -2.795 1.00 0.00 C ATOM 80 O ALA A 6 -2.812 -4.253 -1.833 1.00 0.00 O ATOM 81 CB ALA A 6 0.248 -3.774 -2.009 1.00 0.00 C ATOM 0 H ALA A 6 -0.947 -1.648 -1.818 1.00 0.00 H new ATOM 0 HA ALA A 6 -0.541 -3.480 -3.992 1.00 0.00 H new ATOM 0 HB1 ALA A 6 0.535 -4.811 -2.182 1.00 0.00 H new ATOM 0 HB2 ALA A 6 1.107 -3.126 -2.184 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -0.090 -3.658 -0.979 1.00 0.00 H new ATOM 87 N VAL A 7 -2.149 -5.307 -3.719 1.00 0.00 N ATOM 88 CA VAL A 7 -2.995 -6.482 -3.637 1.00 0.00 C ATOM 89 C VAL A 7 -2.208 -7.626 -4.271 1.00 0.00 C ATOM 90 O VAL A 7 -1.281 -7.375 -5.043 1.00 0.00 O ATOM 91 CB VAL A 7 -4.330 -6.256 -4.369 1.00 0.00 C ATOM 92 CG1 VAL A 7 -5.221 -5.293 -3.571 1.00 0.00 C ATOM 93 CG2 VAL A 7 -4.141 -5.738 -5.798 1.00 0.00 C ATOM 0 H VAL A 7 -1.610 -5.275 -4.585 1.00 0.00 H new ATOM 0 HA VAL A 7 -3.248 -6.709 -2.601 1.00 0.00 H new ATOM 0 HB VAL A 7 -4.818 -7.228 -4.443 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -6.161 -5.143 -4.102 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -5.423 -5.715 -2.587 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -4.712 -4.336 -3.458 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -5.115 -5.597 -6.266 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -3.609 -4.787 -5.773 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -3.563 -6.461 -6.374 1.00 0.00 H new ATOM 103 N ASP A 8 -2.580 -8.866 -3.947 1.00 0.00 N ATOM 104 CA ASP A 8 -2.025 -10.044 -4.596 1.00 0.00 C ATOM 105 C ASP A 8 -2.758 -10.304 -5.902 1.00 0.00 C ATOM 106 O ASP A 8 -3.581 -9.506 -6.347 1.00 0.00 O ATOM 107 CB ASP A 8 -2.209 -11.269 -3.685 1.00 0.00 C ATOM 108 CG ASP A 8 -1.024 -12.210 -3.801 1.00 0.00 C ATOM 109 OD1 ASP A 8 -1.070 -13.033 -4.739 1.00 0.00 O ATOM 110 OD2 ASP A 8 -0.081 -12.028 -3.004 1.00 0.00 O ATOM 0 H ASP A 8 -3.273 -9.076 -3.229 1.00 0.00 H new ATOM 0 HA ASP A 8 -0.966 -9.874 -4.789 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -2.322 -10.945 -2.650 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -3.125 -11.795 -3.956 1.00 0.00 H new ATOM 114 N SER A 9 -2.642 -11.543 -6.368 1.00 0.00 N ATOM 115 CA SER A 9 -3.605 -12.177 -7.247 1.00 0.00 C ATOM 116 C SER A 9 -4.855 -12.559 -6.430 1.00 0.00 C ATOM 117 O SER A 9 -5.338 -13.687 -6.498 1.00 0.00 O ATOM 118 CB SER A 9 -2.936 -13.382 -7.918 1.00 0.00 C ATOM 119 OG SER A 9 -3.638 -13.755 -9.090 1.00 0.00 O ATOM 0 H SER A 9 -1.853 -12.146 -6.136 1.00 0.00 H new ATOM 0 HA SER A 9 -3.933 -11.502 -8.037 1.00 0.00 H new ATOM 0 HB2 SER A 9 -1.903 -13.138 -8.168 1.00 0.00 H new ATOM 0 HB3 SER A 9 -2.906 -14.221 -7.223 1.00 0.00 H new ATOM 0 HG SER A 9 -3.196 -14.525 -9.505 1.00 0.00 H new ATOM 124 N SER A 10 -5.369 -11.622 -5.624 1.00 0.00 N ATOM 125 CA SER A 10 -6.590 -11.772 -4.844 1.00 0.00 C ATOM 126 C SER A 10 -7.422 -10.499 -4.992 1.00 0.00 C ATOM 127 O SER A 10 -8.564 -10.552 -5.449 1.00 0.00 O ATOM 128 CB SER A 10 -6.242 -12.085 -3.382 1.00 0.00 C ATOM 129 OG SER A 10 -7.418 -12.125 -2.595 1.00 0.00 O ATOM 0 H SER A 10 -4.927 -10.711 -5.497 1.00 0.00 H new ATOM 0 HA SER A 10 -7.185 -12.609 -5.210 1.00 0.00 H new ATOM 0 HB2 SER A 10 -5.723 -13.042 -3.321 1.00 0.00 H new ATOM 0 HB3 SER A 10 -5.561 -11.328 -2.993 1.00 0.00 H new ATOM 0 HG SER A 10 -7.183 -12.327 -1.665 1.00 0.00 H new ATOM 134 N GLY A 11 -6.861 -9.346 -4.616 1.00 0.00 N ATOM 135 CA GLY A 11 -7.517 -8.064 -4.795 1.00 0.00 C ATOM 136 C GLY A 11 -8.767 -7.969 -3.935 1.00 0.00 C ATOM 137 O GLY A 11 -9.897 -7.874 -4.421 1.00 0.00 O ATOM 0 H GLY A 11 -5.941 -9.284 -4.180 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -6.829 -7.260 -4.534 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -7.781 -7.930 -5.844 1.00 0.00 H new ATOM 141 N LYS A 12 -8.525 -7.997 -2.628 1.00 0.00 N ATOM 142 CA LYS A 12 -9.380 -7.434 -1.601 1.00 0.00 C ATOM 143 C LYS A 12 -8.434 -6.620 -0.718 1.00 0.00 C ATOM 144 O LYS A 12 -7.253 -6.957 -0.637 1.00 0.00 O ATOM 145 CB LYS A 12 -10.119 -8.534 -0.824 1.00 0.00 C ATOM 146 CG LYS A 12 -11.143 -9.267 -1.708 1.00 0.00 C ATOM 147 CD LYS A 12 -10.570 -10.538 -2.361 1.00 0.00 C ATOM 148 CE LYS A 12 -11.422 -10.977 -3.561 1.00 0.00 C ATOM 149 NZ LYS A 12 -11.120 -10.190 -4.776 1.00 0.00 N ATOM 0 H LYS A 12 -7.687 -8.434 -2.244 1.00 0.00 H new ATOM 0 HA LYS A 12 -10.174 -6.810 -2.011 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -9.397 -9.251 -0.433 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -10.628 -8.094 0.034 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -12.011 -9.534 -1.105 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -11.493 -8.590 -2.488 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -9.546 -10.353 -2.686 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -10.531 -11.342 -1.626 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -11.247 -12.034 -3.762 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -12.478 -10.870 -3.314 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -11.920 -10.252 -5.438 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -10.963 -9.196 -4.515 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -10.264 -10.568 -5.231 1.00 0.00 H new ATOM 159 N VAL A 13 -8.906 -5.511 -0.147 1.00 0.00 N ATOM 160 CA VAL A 13 -8.016 -4.544 0.480 1.00 0.00 C ATOM 161 C VAL A 13 -7.512 -5.055 1.831 1.00 0.00 C ATOM 162 O VAL A 13 -8.297 -5.400 2.715 1.00 0.00 O ATOM 163 CB VAL A 13 -8.679 -3.156 0.578 1.00 0.00 C ATOM 164 CG1 VAL A 13 -9.101 -2.657 -0.807 1.00 0.00 C ATOM 165 CG2 VAL A 13 -9.886 -3.121 1.520 1.00 0.00 C ATOM 0 H VAL A 13 -9.895 -5.264 -0.108 1.00 0.00 H new ATOM 0 HA VAL A 13 -7.139 -4.424 -0.156 1.00 0.00 H new ATOM 0 HB VAL A 13 -7.921 -2.496 1.000 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -9.567 -1.676 -0.714 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -8.224 -2.583 -1.450 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -9.813 -3.357 -1.244 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -10.303 -2.114 1.540 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -10.644 -3.820 1.166 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -9.572 -3.404 2.525 1.00 0.00 H new ATOM 175 N SER A 14 -6.193 -5.063 2.013 1.00 0.00 N ATOM 176 CA SER A 14 -5.564 -5.319 3.300 1.00 0.00 C ATOM 177 C SER A 14 -5.705 -4.081 4.187 1.00 0.00 C ATOM 178 O SER A 14 -4.705 -3.466 4.552 1.00 0.00 O ATOM 179 CB SER A 14 -4.093 -5.718 3.088 1.00 0.00 C ATOM 180 OG SER A 14 -4.010 -7.070 2.688 1.00 0.00 O ATOM 0 H SER A 14 -5.527 -4.890 1.260 1.00 0.00 H new ATOM 0 HA SER A 14 -6.057 -6.149 3.806 1.00 0.00 H new ATOM 0 HB2 SER A 14 -3.640 -5.078 2.331 1.00 0.00 H new ATOM 0 HB3 SER A 14 -3.531 -5.568 4.010 1.00 0.00 H new ATOM 0 HG SER A 14 -3.924 -7.641 3.480 1.00 0.00 H new ATOM 185 N GLU A 15 -6.941 -3.710 4.543 1.00 0.00 N ATOM 186 CA GLU A 15 -7.148 -2.704 5.571 1.00 0.00 C ATOM 187 C GLU A 15 -6.649 -3.238 6.909 1.00 0.00 C ATOM 188 O GLU A 15 -6.194 -4.379 7.009 1.00 0.00 O ATOM 189 CB GLU A 15 -8.622 -2.292 5.662 1.00 0.00 C ATOM 190 CG GLU A 15 -8.835 -0.795 5.936 1.00 0.00 C ATOM 191 CD GLU A 15 -9.573 -0.569 7.245 1.00 0.00 C ATOM 192 OE1 GLU A 15 -8.982 -0.969 8.270 1.00 0.00 O ATOM 193 OE2 GLU A 15 -10.704 -0.045 7.191 1.00 0.00 O ATOM 0 H GLU A 15 -7.796 -4.089 4.137 1.00 0.00 H new ATOM 0 HA GLU A 15 -6.581 -1.812 5.306 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -9.121 -2.555 4.729 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -9.102 -2.868 6.453 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -7.870 -0.289 5.969 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -9.400 -0.351 5.117 1.00 0.00 H new ATOM 198 N CYS A 16 -6.743 -2.388 7.925 1.00 0.00 N ATOM 199 CA CYS A 16 -6.031 -2.480 9.198 1.00 0.00 C ATOM 200 C CYS A 16 -5.894 -1.103 9.841 1.00 0.00 C ATOM 201 O CYS A 16 -6.104 -0.076 9.205 1.00 0.00 O ATOM 202 CB CYS A 16 -4.616 -3.073 9.026 1.00 0.00 C ATOM 203 SG CYS A 16 -3.518 -2.299 7.796 1.00 0.00 S ATOM 0 H CYS A 16 -7.351 -1.570 7.882 1.00 0.00 H new ATOM 0 HA CYS A 16 -6.620 -3.140 9.835 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -4.116 -3.034 9.994 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -4.723 -4.126 8.765 1.00 0.00 H new ATOM 207 N LEU A 17 -5.455 -1.093 11.103 1.00 0.00 N ATOM 208 CA LEU A 17 -4.843 0.046 11.759 1.00 0.00 C ATOM 209 C LEU A 17 -3.340 -0.210 11.965 1.00 0.00 C ATOM 210 O LEU A 17 -2.524 0.701 11.826 1.00 0.00 O ATOM 211 CB LEU A 17 -5.569 0.353 13.074 1.00 0.00 C ATOM 212 CG LEU A 17 -5.862 -0.839 14.004 1.00 0.00 C ATOM 213 CD1 LEU A 17 -5.862 -0.363 15.462 1.00 0.00 C ATOM 214 CD2 LEU A 17 -7.227 -1.482 13.713 1.00 0.00 C ATOM 0 H LEU A 17 -5.522 -1.910 11.709 1.00 0.00 H new ATOM 0 HA LEU A 17 -4.938 0.928 11.126 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -4.973 1.078 13.629 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -6.516 0.836 12.834 1.00 0.00 H new ATOM 0 HG LEU A 17 -5.084 -1.582 13.829 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -6.069 -1.207 16.120 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -4.887 0.058 15.707 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -6.630 0.399 15.596 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -7.388 -2.318 14.394 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -8.015 -0.742 13.854 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -7.247 -1.843 12.685 1.00 0.00 H new ATOM 225 N LEU A 18 -2.946 -1.449 12.286 1.00 0.00 N ATOM 226 CA LEU A 18 -1.563 -1.795 12.568 1.00 0.00 C ATOM 227 C LEU A 18 -0.745 -1.882 11.274 1.00 0.00 C ATOM 228 O LEU A 18 -0.478 -2.968 10.765 1.00 0.00 O ATOM 229 CB LEU A 18 -1.521 -3.083 13.404 1.00 0.00 C ATOM 230 CG LEU A 18 -2.336 -4.239 12.794 1.00 0.00 C ATOM 231 CD1 LEU A 18 -1.472 -5.491 12.739 1.00 0.00 C ATOM 232 CD2 LEU A 18 -3.594 -4.546 13.615 1.00 0.00 C ATOM 0 H LEU A 18 -3.588 -2.238 12.356 1.00 0.00 H new ATOM 0 HA LEU A 18 -1.095 -1.008 13.159 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -0.484 -3.400 13.517 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -1.900 -2.870 14.404 1.00 0.00 H new ATOM 0 HG LEU A 18 -2.645 -3.935 11.794 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -2.046 -6.311 12.308 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -0.593 -5.300 12.123 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -1.157 -5.760 13.747 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -4.140 -5.367 13.151 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -3.307 -4.828 14.628 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -4.230 -3.662 13.651 1.00 0.00 H new ATOM 243 N ASN A 19 -0.335 -0.714 10.770 1.00 0.00 N ATOM 244 CA ASN A 19 0.582 -0.500 9.646 1.00 0.00 C ATOM 245 C ASN A 19 1.589 -1.635 9.417 1.00 0.00 C ATOM 246 O ASN A 19 1.783 -2.069 8.281 1.00 0.00 O ATOM 247 CB ASN A 19 1.300 0.851 9.787 1.00 0.00 C ATOM 248 CG ASN A 19 2.166 1.004 11.035 1.00 0.00 C ATOM 249 OD1 ASN A 19 2.155 0.174 11.941 1.00 0.00 O ATOM 250 ND2 ASN A 19 2.920 2.094 11.101 1.00 0.00 N ATOM 0 H ASN A 19 -0.658 0.169 11.165 1.00 0.00 H new ATOM 0 HA ASN A 19 -0.045 -0.492 8.754 1.00 0.00 H new ATOM 0 HB2 ASN A 19 1.927 1.003 8.909 1.00 0.00 H new ATOM 0 HB3 ASN A 19 0.551 1.643 9.785 1.00 0.00 H new ATOM 0 HD21 ASN A 19 3.509 2.258 11.918 1.00 0.00 H new ATOM 0 HD22 ASN A 19 2.911 2.768 10.335 1.00 0.00 H new ATOM 256 N ASN A 20 2.221 -2.111 10.493 1.00 0.00 N ATOM 257 CA ASN A 20 3.141 -3.238 10.495 1.00 0.00 C ATOM 258 C ASN A 20 2.660 -4.400 9.624 1.00 0.00 C ATOM 259 O ASN A 20 3.439 -4.904 8.826 1.00 0.00 O ATOM 260 CB ASN A 20 3.376 -3.717 11.931 1.00 0.00 C ATOM 261 CG ASN A 20 4.291 -4.937 11.949 1.00 0.00 C ATOM 262 OD1 ASN A 20 3.832 -6.062 12.098 1.00 0.00 O ATOM 263 ND2 ASN A 20 5.595 -4.729 11.788 1.00 0.00 N ATOM 0 H ASN A 20 2.097 -1.702 11.419 1.00 0.00 H new ATOM 0 HA ASN A 20 4.078 -2.887 10.062 1.00 0.00 H new ATOM 0 HB2 ASN A 20 3.820 -2.914 12.519 1.00 0.00 H new ATOM 0 HB3 ASN A 20 2.423 -3.964 12.398 1.00 0.00 H new ATOM 0 HD21 ASN A 20 6.241 -5.518 11.787 1.00 0.00 H new ATOM 0 HD22 ASN A 20 5.949 -3.780 11.666 1.00 0.00 H new ATOM 269 N TYR A 21 1.400 -4.828 9.765 1.00 0.00 N ATOM 270 CA TYR A 21 0.851 -5.932 8.980 1.00 0.00 C ATOM 271 C TYR A 21 0.995 -5.634 7.487 1.00 0.00 C ATOM 272 O TYR A 21 1.594 -6.414 6.746 1.00 0.00 O ATOM 273 CB TYR A 21 -0.614 -6.184 9.378 1.00 0.00 C ATOM 274 CG TYR A 21 -1.494 -6.802 8.304 1.00 0.00 C ATOM 275 CD1 TYR A 21 -1.322 -8.141 7.912 1.00 0.00 C ATOM 276 CD2 TYR A 21 -2.475 -6.014 7.672 1.00 0.00 C ATOM 277 CE1 TYR A 21 -2.116 -8.682 6.883 1.00 0.00 C ATOM 278 CE2 TYR A 21 -3.276 -6.558 6.657 1.00 0.00 C ATOM 279 CZ TYR A 21 -3.074 -7.882 6.235 1.00 0.00 C ATOM 280 OH TYR A 21 -3.783 -8.372 5.176 1.00 0.00 O ATOM 0 H TYR A 21 0.738 -4.419 10.424 1.00 0.00 H new ATOM 0 HA TYR A 21 1.410 -6.844 9.189 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -0.627 -6.836 10.251 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -1.056 -5.235 9.682 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -0.580 -8.755 8.401 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -2.611 -4.985 7.970 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -1.989 -9.714 6.591 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -4.049 -5.958 6.200 1.00 0.00 H new ATOM 0 HH TYR A 21 -4.739 -8.210 5.319 1.00 0.00 H new ATOM 289 N CYS A 22 0.446 -4.496 7.059 1.00 0.00 N ATOM 290 CA CYS A 22 0.498 -4.044 5.679 1.00 0.00 C ATOM 291 C CYS A 22 1.939 -4.061 5.202 1.00 0.00 C ATOM 292 O CYS A 22 2.253 -4.703 4.205 1.00 0.00 O ATOM 293 CB CYS A 22 -0.085 -2.624 5.585 1.00 0.00 C ATOM 294 SG CYS A 22 -1.685 -2.522 4.773 1.00 0.00 S ATOM 0 H CYS A 22 -0.054 -3.856 7.676 1.00 0.00 H new ATOM 0 HA CYS A 22 -0.091 -4.707 5.046 1.00 0.00 H new ATOM 0 HB2 CYS A 22 -0.177 -2.216 6.592 1.00 0.00 H new ATOM 0 HB3 CYS A 22 0.621 -1.991 5.048 1.00 0.00 H new ATOM 298 N ASN A 23 2.817 -3.369 5.928 1.00 0.00 N ATOM 299 CA ASN A 23 4.217 -3.277 5.615 1.00 0.00 C ATOM 300 C ASN A 23 4.846 -4.653 5.407 1.00 0.00 C ATOM 301 O ASN A 23 5.408 -4.928 4.347 1.00 0.00 O ATOM 302 CB ASN A 23 4.882 -2.532 6.775 1.00 0.00 C ATOM 303 CG ASN A 23 6.183 -1.975 6.275 1.00 0.00 C ATOM 304 OD1 ASN A 23 7.234 -2.588 6.418 1.00 0.00 O ATOM 305 ND2 ASN A 23 6.082 -0.827 5.626 1.00 0.00 N ATOM 0 H ASN A 23 2.555 -2.850 6.766 1.00 0.00 H new ATOM 0 HA ASN A 23 4.360 -2.742 4.676 1.00 0.00 H new ATOM 0 HB2 ASN A 23 4.236 -1.731 7.135 1.00 0.00 H new ATOM 0 HB3 ASN A 23 5.052 -3.206 7.615 1.00 0.00 H new ATOM 0 HD21 ASN A 23 6.910 -0.402 5.209 1.00 0.00 H new ATOM 0 HD22 ASN A 23 5.176 -0.366 5.542 1.00 0.00 H new ATOM 311 N ASN A 24 4.726 -5.520 6.416 1.00 0.00 N ATOM 312 CA ASN A 24 5.239 -6.864 6.422 1.00 0.00 C ATOM 313 C ASN A 24 4.841 -7.625 5.169 1.00 0.00 C ATOM 314 O ASN A 24 5.701 -8.138 4.464 1.00 0.00 O ATOM 315 CB ASN A 24 4.717 -7.577 7.668 1.00 0.00 C ATOM 316 CG ASN A 24 5.617 -8.752 7.952 1.00 0.00 C ATOM 317 OD1 ASN A 24 5.308 -9.900 7.654 1.00 0.00 O ATOM 318 ND2 ASN A 24 6.777 -8.427 8.508 1.00 0.00 N ATOM 0 H ASN A 24 4.245 -5.279 7.282 1.00 0.00 H new ATOM 0 HA ASN A 24 6.328 -6.826 6.437 1.00 0.00 H new ATOM 0 HB2 ASN A 24 4.703 -6.895 8.518 1.00 0.00 H new ATOM 0 HB3 ASN A 24 3.692 -7.913 7.512 1.00 0.00 H new ATOM 0 HD21 ASN A 24 7.467 -9.151 8.709 1.00 0.00 H new ATOM 0 HD22 ASN A 24 6.979 -7.453 8.734 1.00 0.00 H new ATOM 324 N ILE A 25 3.543 -7.689 4.874 1.00 0.00 N ATOM 325 CA ILE A 25 3.037 -8.374 3.700 1.00 0.00 C ATOM 326 C ILE A 25 3.672 -7.785 2.446 1.00 0.00 C ATOM 327 O ILE A 25 4.125 -8.502 1.554 1.00 0.00 O ATOM 328 CB ILE A 25 1.505 -8.199 3.683 1.00 0.00 C ATOM 329 CG1 ILE A 25 0.871 -8.905 4.888 1.00 0.00 C ATOM 330 CG2 ILE A 25 0.875 -8.668 2.367 1.00 0.00 C ATOM 331 CD1 ILE A 25 0.753 -10.428 4.758 1.00 0.00 C ATOM 0 H ILE A 25 2.816 -7.264 5.449 1.00 0.00 H new ATOM 0 HA ILE A 25 3.286 -9.435 3.727 1.00 0.00 H new ATOM 0 HB ILE A 25 1.300 -7.131 3.758 1.00 0.00 H new ATOM 0 HG12 ILE A 25 1.460 -8.676 5.776 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -0.124 -8.491 5.050 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -0.204 -8.523 2.408 1.00 0.00 H new ATOM 0 HG22 ILE A 25 1.288 -8.090 1.540 1.00 0.00 H new ATOM 0 HG23 ILE A 25 1.093 -9.725 2.216 1.00 0.00 H new ATOM 0 HD11 ILE A 25 0.293 -10.835 5.658 1.00 0.00 H new ATOM 0 HD12 ILE A 25 0.136 -10.673 3.893 1.00 0.00 H new ATOM 0 HD13 ILE A 25 1.745 -10.860 4.630 1.00 0.00 H new ATOM 342 N CYS A 26 3.673 -6.459 2.380 1.00 0.00 N ATOM 343 CA CYS A 26 4.026 -5.766 1.158 1.00 0.00 C ATOM 344 C CYS A 26 5.477 -5.975 0.772 1.00 0.00 C ATOM 345 O CYS A 26 5.789 -6.160 -0.403 1.00 0.00 O ATOM 346 CB CYS A 26 3.675 -4.286 1.214 1.00 0.00 C ATOM 347 SG CYS A 26 3.084 -3.772 -0.386 1.00 0.00 S ATOM 0 H CYS A 26 3.433 -5.847 3.160 1.00 0.00 H new ATOM 0 HA CYS A 26 3.419 -6.214 0.371 1.00 0.00 H new ATOM 0 HB2 CYS A 26 2.913 -4.108 1.972 1.00 0.00 H new ATOM 0 HB3 CYS A 26 4.550 -3.702 1.498 1.00 0.00 H new ATOM 351 N THR A 27 6.367 -5.963 1.761 1.00 0.00 N ATOM 352 CA THR A 27 7.754 -6.312 1.518 1.00 0.00 C ATOM 353 C THR A 27 7.875 -7.825 1.268 1.00 0.00 C ATOM 354 O THR A 27 8.562 -8.237 0.337 1.00 0.00 O ATOM 355 CB THR A 27 8.659 -5.742 2.622 1.00 0.00 C ATOM 356 OG1 THR A 27 10.007 -5.753 2.209 1.00 0.00 O ATOM 357 CG2 THR A 27 8.532 -6.476 3.947 1.00 0.00 C ATOM 0 H THR A 27 6.151 -5.717 2.727 1.00 0.00 H new ATOM 0 HA THR A 27 8.119 -5.842 0.605 1.00 0.00 H new ATOM 0 HB THR A 27 8.322 -4.719 2.788 1.00 0.00 H new ATOM 0 HG1 THR A 27 10.177 -4.984 1.626 1.00 0.00 H new ATOM 0 HG21 THR A 27 9.198 -6.021 4.680 1.00 0.00 H new ATOM 0 HG22 THR A 27 7.503 -6.411 4.302 1.00 0.00 H new ATOM 0 HG23 THR A 27 8.803 -7.523 3.810 1.00 0.00 H new ATOM 365 N LYS A 28 7.169 -8.658 2.046 1.00 0.00 N ATOM 366 CA LYS A 28 7.270 -10.110 1.972 1.00 0.00 C ATOM 367 C LYS A 28 7.039 -10.610 0.548 1.00 0.00 C ATOM 368 O LYS A 28 7.795 -11.449 0.060 1.00 0.00 O ATOM 369 CB LYS A 28 6.271 -10.757 2.946 1.00 0.00 C ATOM 370 CG LYS A 28 6.390 -12.285 2.991 1.00 0.00 C ATOM 371 CD LYS A 28 5.369 -12.831 3.999 1.00 0.00 C ATOM 372 CE LYS A 28 5.440 -14.357 4.150 1.00 0.00 C ATOM 373 NZ LYS A 28 5.104 -15.069 2.898 1.00 0.00 N ATOM 0 H LYS A 28 6.507 -8.332 2.750 1.00 0.00 H new ATOM 0 HA LYS A 28 8.281 -10.398 2.261 1.00 0.00 H new ATOM 0 HB2 LYS A 28 6.433 -10.355 3.946 1.00 0.00 H new ATOM 0 HB3 LYS A 28 5.257 -10.485 2.653 1.00 0.00 H new ATOM 0 HG2 LYS A 28 6.208 -12.707 2.003 1.00 0.00 H new ATOM 0 HG3 LYS A 28 7.400 -12.577 3.281 1.00 0.00 H new ATOM 0 HD2 LYS A 28 5.540 -12.366 4.970 1.00 0.00 H new ATOM 0 HD3 LYS A 28 4.365 -12.548 3.682 1.00 0.00 H new ATOM 0 HE2 LYS A 28 6.444 -14.641 4.467 1.00 0.00 H new ATOM 0 HE3 LYS A 28 4.756 -14.673 4.938 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 5.134 -16.095 3.064 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 4.149 -14.796 2.589 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 5.792 -14.817 2.160 1.00 0.00 H new ATOM 383 N VAL A 29 5.949 -10.168 -0.083 1.00 0.00 N ATOM 384 CA VAL A 29 5.499 -10.673 -1.344 1.00 0.00 C ATOM 385 C VAL A 29 5.944 -9.755 -2.485 1.00 0.00 C ATOM 386 O VAL A 29 6.483 -10.230 -3.483 1.00 0.00 O ATOM 387 CB VAL A 29 3.977 -10.816 -1.227 1.00 0.00 C ATOM 388 CG1 VAL A 29 3.529 -11.635 -2.414 1.00 0.00 C ATOM 389 CG2 VAL A 29 3.532 -11.575 0.035 1.00 0.00 C ATOM 0 H VAL A 29 5.353 -9.431 0.293 1.00 0.00 H new ATOM 0 HA VAL A 29 5.936 -11.642 -1.583 1.00 0.00 H new ATOM 0 HB VAL A 29 3.545 -9.816 -1.182 1.00 0.00 H new ATOM 0 HG11 VAL A 29 2.448 -11.767 -2.378 1.00 0.00 H new ATOM 0 HG12 VAL A 29 3.801 -11.120 -3.335 1.00 0.00 H new ATOM 0 HG13 VAL A 29 4.014 -12.611 -2.387 1.00 0.00 H new ATOM 0 HG21 VAL A 29 2.444 -11.640 0.056 1.00 0.00 H new ATOM 0 HG22 VAL A 29 3.956 -12.579 0.024 1.00 0.00 H new ATOM 0 HG23 VAL A 29 3.880 -11.044 0.921 1.00 0.00 H new ATOM 399 N TYR A 30 5.688 -8.448 -2.368 1.00 0.00 N ATOM 400 CA TYR A 30 5.824 -7.492 -3.445 1.00 0.00 C ATOM 401 C TYR A 30 7.096 -6.639 -3.324 1.00 0.00 C ATOM 402 O TYR A 30 7.408 -5.888 -4.240 1.00 0.00 O ATOM 403 CB TYR A 30 4.564 -6.623 -3.435 1.00 0.00 C ATOM 404 CG TYR A 30 3.240 -7.342 -3.205 1.00 0.00 C ATOM 405 CD1 TYR A 30 2.905 -8.516 -3.903 1.00 0.00 C ATOM 406 CD2 TYR A 30 2.364 -6.862 -2.220 1.00 0.00 C ATOM 407 CE1 TYR A 30 1.747 -9.238 -3.556 1.00 0.00 C ATOM 408 CE2 TYR A 30 1.233 -7.600 -1.843 1.00 0.00 C ATOM 409 CZ TYR A 30 0.947 -8.812 -2.481 1.00 0.00 C ATOM 410 OH TYR A 30 -0.038 -9.605 -1.978 1.00 0.00 O ATOM 0 H TYR A 30 5.373 -8.026 -1.494 1.00 0.00 H new ATOM 0 HA TYR A 30 5.926 -8.020 -4.393 1.00 0.00 H new ATOM 0 HB2 TYR A 30 4.679 -5.865 -2.660 1.00 0.00 H new ATOM 0 HB3 TYR A 30 4.505 -6.098 -4.388 1.00 0.00 H new ATOM 0 HD1 TYR A 30 3.537 -8.864 -4.707 1.00 0.00 H new ATOM 0 HD2 TYR A 30 2.563 -5.912 -1.746 1.00 0.00 H new ATOM 0 HE1 TYR A 30 1.473 -10.120 -4.116 1.00 0.00 H new ATOM 0 HE2 TYR A 30 0.584 -7.234 -1.062 1.00 0.00 H new ATOM 0 HH TYR A 30 0.064 -10.515 -2.327 1.00 0.00 H new ATOM 419 N TYR A 31 7.832 -6.745 -2.213 1.00 0.00 N ATOM 420 CA TYR A 31 9.114 -6.080 -1.994 1.00 0.00 C ATOM 421 C TYR A 31 9.040 -4.552 -1.917 1.00 0.00 C ATOM 422 O TYR A 31 10.002 -3.859 -2.230 1.00 0.00 O ATOM 423 CB TYR A 31 10.214 -6.667 -2.867 1.00 0.00 C ATOM 424 CG TYR A 31 10.530 -8.107 -2.512 1.00 0.00 C ATOM 425 CD1 TYR A 31 9.671 -9.133 -2.946 1.00 0.00 C ATOM 426 CD2 TYR A 31 11.480 -8.373 -1.506 1.00 0.00 C ATOM 427 CE1 TYR A 31 9.663 -10.370 -2.279 1.00 0.00 C ATOM 428 CE2 TYR A 31 11.507 -9.628 -0.877 1.00 0.00 C ATOM 429 CZ TYR A 31 10.549 -10.598 -1.214 1.00 0.00 C ATOM 430 OH TYR A 31 10.424 -11.718 -0.451 1.00 0.00 O ATOM 0 H TYR A 31 7.540 -7.314 -1.419 1.00 0.00 H new ATOM 0 HA TYR A 31 9.422 -6.317 -0.975 1.00 0.00 H new ATOM 0 HB2 TYR A 31 9.912 -6.612 -3.913 1.00 0.00 H new ATOM 0 HB3 TYR A 31 11.116 -6.064 -2.764 1.00 0.00 H new ATOM 0 HD1 TYR A 31 9.018 -8.970 -3.791 1.00 0.00 H new ATOM 0 HD2 TYR A 31 12.189 -7.610 -1.218 1.00 0.00 H new ATOM 0 HE1 TYR A 31 8.976 -11.145 -2.585 1.00 0.00 H new ATOM 0 HE2 TYR A 31 12.262 -9.847 -0.136 1.00 0.00 H new ATOM 0 HH TYR A 31 9.480 -11.859 -0.230 1.00 0.00 H new ATOM 439 N ALA A 32 7.933 -4.019 -1.384 1.00 0.00 N ATOM 440 CA ALA A 32 7.912 -2.684 -0.816 1.00 0.00 C ATOM 441 C ALA A 32 8.865 -2.533 0.378 1.00 0.00 C ATOM 442 O ALA A 32 9.531 -3.479 0.798 1.00 0.00 O ATOM 443 CB ALA A 32 6.479 -2.377 -0.405 1.00 0.00 C ATOM 0 H ALA A 32 7.037 -4.505 -1.339 1.00 0.00 H new ATOM 0 HA ALA A 32 8.262 -1.975 -1.566 1.00 0.00 H new ATOM 0 HB1 ALA A 32 6.431 -1.377 0.027 1.00 0.00 H new ATOM 0 HB2 ALA A 32 5.831 -2.426 -1.280 1.00 0.00 H new ATOM 0 HB3 ALA A 32 6.148 -3.107 0.333 1.00 0.00 H new ATOM 449 N THR A 33 8.898 -1.319 0.925 1.00 0.00 N ATOM 450 CA THR A 33 9.717 -0.866 2.030 1.00 0.00 C ATOM 451 C THR A 33 8.786 -0.175 3.031 1.00 0.00 C ATOM 452 O THR A 33 8.294 -0.807 3.961 1.00 0.00 O ATOM 453 CB THR A 33 10.817 0.063 1.488 1.00 0.00 C ATOM 454 OG1 THR A 33 10.260 1.140 0.752 1.00 0.00 O ATOM 455 CG2 THR A 33 11.765 -0.704 0.562 1.00 0.00 C ATOM 0 H THR A 33 8.301 -0.571 0.572 1.00 0.00 H new ATOM 0 HA THR A 33 10.223 -1.686 2.540 1.00 0.00 H new ATOM 0 HB THR A 33 11.362 0.449 2.349 1.00 0.00 H new ATOM 0 HG1 THR A 33 9.569 0.800 0.146 1.00 0.00 H new ATOM 0 HG21 THR A 33 12.535 -0.029 0.190 1.00 0.00 H new ATOM 0 HG22 THR A 33 12.233 -1.519 1.114 1.00 0.00 H new ATOM 0 HG23 THR A 33 11.203 -1.111 -0.278 1.00 0.00 H new ATOM 463 N SER A 34 8.481 1.105 2.812 1.00 0.00 N ATOM 464 CA SER A 34 7.420 1.804 3.505 1.00 0.00 C ATOM 465 C SER A 34 6.079 1.390 2.895 1.00 0.00 C ATOM 466 O SER A 34 6.029 0.715 1.866 1.00 0.00 O ATOM 467 CB SER A 34 7.657 3.316 3.419 1.00 0.00 C ATOM 468 OG SER A 34 8.969 3.614 3.854 1.00 0.00 O ATOM 0 H SER A 34 8.977 1.686 2.136 1.00 0.00 H new ATOM 0 HA SER A 34 7.407 1.540 4.563 1.00 0.00 H new ATOM 0 HB2 SER A 34 7.516 3.659 2.394 1.00 0.00 H new ATOM 0 HB3 SER A 34 6.929 3.844 4.035 1.00 0.00 H new ATOM 0 HG SER A 34 9.121 4.581 3.797 1.00 0.00 H new ATOM 473 N GLY A 35 4.990 1.805 3.536 1.00 0.00 N ATOM 474 CA GLY A 35 3.642 1.309 3.281 1.00 0.00 C ATOM 475 C GLY A 35 2.999 0.972 4.609 1.00 0.00 C ATOM 476 O GLY A 35 3.704 0.762 5.599 1.00 0.00 O ATOM 0 H GLY A 35 5.022 2.515 4.267 1.00 0.00 H new ATOM 0 HA2 GLY A 35 3.054 2.061 2.755 1.00 0.00 H new ATOM 0 HA3 GLY A 35 3.677 0.427 2.642 1.00 0.00 H new ATOM 480 N TYR A 36 1.670 0.978 4.635 1.00 0.00 N ATOM 481 CA TYR A 36 0.895 1.127 5.852 1.00 0.00 C ATOM 482 C TYR A 36 -0.590 1.085 5.500 1.00 0.00 C ATOM 483 O TYR A 36 -0.959 1.049 4.323 1.00 0.00 O ATOM 484 CB TYR A 36 1.297 2.446 6.552 1.00 0.00 C ATOM 485 CG TYR A 36 1.388 3.671 5.664 1.00 0.00 C ATOM 486 CD1 TYR A 36 0.310 4.067 4.845 1.00 0.00 C ATOM 487 CD2 TYR A 36 2.561 4.443 5.682 1.00 0.00 C ATOM 488 CE1 TYR A 36 0.473 5.120 3.934 1.00 0.00 C ATOM 489 CE2 TYR A 36 2.668 5.565 4.855 1.00 0.00 C ATOM 490 CZ TYR A 36 1.659 5.864 3.939 1.00 0.00 C ATOM 491 OH TYR A 36 1.887 6.831 3.018 1.00 0.00 O ATOM 0 H TYR A 36 1.097 0.878 3.797 1.00 0.00 H new ATOM 0 HA TYR A 36 1.096 0.312 6.548 1.00 0.00 H new ATOM 0 HB2 TYR A 36 0.575 2.649 7.343 1.00 0.00 H new ATOM 0 HB3 TYR A 36 2.264 2.298 7.033 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -0.640 3.559 4.920 1.00 0.00 H new ATOM 0 HD2 TYR A 36 3.378 4.171 6.333 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -0.313 5.356 3.232 1.00 0.00 H new ATOM 0 HE2 TYR A 36 3.536 6.204 4.926 1.00 0.00 H new ATOM 0 HH TYR A 36 1.340 6.661 2.223 1.00 0.00 H new ATOM 500 N CYS A 37 -1.426 1.141 6.537 1.00 0.00 N ATOM 501 CA CYS A 37 -2.871 1.222 6.420 1.00 0.00 C ATOM 502 C CYS A 37 -3.234 2.656 6.021 1.00 0.00 C ATOM 503 O CYS A 37 -3.286 3.546 6.867 1.00 0.00 O ATOM 504 CB CYS A 37 -3.537 0.849 7.756 1.00 0.00 C ATOM 505 SG CYS A 37 -2.853 -0.547 8.688 1.00 0.00 S ATOM 0 H CYS A 37 -1.102 1.131 7.504 1.00 0.00 H new ATOM 0 HA CYS A 37 -3.228 0.522 5.665 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -3.507 1.727 8.401 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -4.587 0.635 7.557 1.00 0.00 H new ATOM 509 N CYS A 38 -3.450 2.905 4.730 1.00 0.00 N ATOM 510 CA CYS A 38 -4.017 4.159 4.249 1.00 0.00 C ATOM 511 C CYS A 38 -5.540 4.101 4.398 1.00 0.00 C ATOM 512 O CYS A 38 -6.101 3.014 4.490 1.00 0.00 O ATOM 513 CB CYS A 38 -3.616 4.364 2.786 1.00 0.00 C ATOM 514 SG CYS A 38 -4.369 5.783 1.954 1.00 0.00 S ATOM 0 H CYS A 38 -3.235 2.239 3.988 1.00 0.00 H new ATOM 0 HA CYS A 38 -3.639 5.000 4.831 1.00 0.00 H new ATOM 0 HB2 CYS A 38 -2.532 4.472 2.738 1.00 0.00 H new ATOM 0 HB3 CYS A 38 -3.872 3.463 2.229 1.00 0.00 H new ATOM 518 N LEU A 39 -6.193 5.270 4.398 1.00 0.00 N ATOM 519 CA LEU A 39 -7.617 5.549 4.555 1.00 0.00 C ATOM 520 C LEU A 39 -8.525 4.314 4.532 1.00 0.00 C ATOM 521 O LEU A 39 -9.247 4.065 5.494 1.00 0.00 O ATOM 522 CB LEU A 39 -8.039 6.600 3.501 1.00 0.00 C ATOM 523 CG LEU A 39 -8.729 7.820 4.135 1.00 0.00 C ATOM 524 CD1 LEU A 39 -8.935 8.915 3.083 1.00 0.00 C ATOM 525 CD2 LEU A 39 -10.088 7.455 4.747 1.00 0.00 C ATOM 0 H LEU A 39 -5.672 6.138 4.273 1.00 0.00 H new ATOM 0 HA LEU A 39 -7.755 5.946 5.561 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -7.159 6.930 2.948 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -8.714 6.138 2.780 1.00 0.00 H new ATOM 0 HG LEU A 39 -8.078 8.180 4.932 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -9.424 9.774 3.543 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -7.969 9.220 2.681 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -9.559 8.531 2.276 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -10.541 8.345 5.184 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -10.742 7.059 3.970 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -9.947 6.702 5.522 1.00 0.00 H new ATOM 536 N LEU A 40 -8.532 3.592 3.407 1.00 0.00 N ATOM 537 CA LEU A 40 -9.398 2.451 3.154 1.00 0.00 C ATOM 538 C LEU A 40 -8.650 1.259 2.545 1.00 0.00 C ATOM 539 O LEU A 40 -9.288 0.304 2.107 1.00 0.00 O ATOM 540 CB LEU A 40 -10.469 2.895 2.158 1.00 0.00 C ATOM 541 CG LEU A 40 -11.330 4.073 2.638 1.00 0.00 C ATOM 542 CD1 LEU A 40 -11.860 4.783 1.397 1.00 0.00 C ATOM 543 CD2 LEU A 40 -12.471 3.603 3.546 1.00 0.00 C ATOM 0 H LEU A 40 -7.911 3.798 2.625 1.00 0.00 H new ATOM 0 HA LEU A 40 -9.815 2.127 4.108 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -9.985 3.172 1.221 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -11.121 2.048 1.942 1.00 0.00 H new ATOM 0 HG LEU A 40 -10.731 4.758 3.239 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -12.478 5.629 1.698 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -11.023 5.141 0.797 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -12.458 4.088 0.808 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -13.059 4.463 3.866 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -13.110 2.910 2.998 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -12.057 3.101 4.420 1.00 0.00 H new ATOM 554 N SER A 41 -7.321 1.321 2.419 1.00 0.00 N ATOM 555 CA SER A 41 -6.557 0.263 1.756 1.00 0.00 C ATOM 556 C SER A 41 -5.068 0.357 2.089 1.00 0.00 C ATOM 557 O SER A 41 -4.652 1.175 2.900 1.00 0.00 O ATOM 558 CB SER A 41 -6.811 0.281 0.236 1.00 0.00 C ATOM 559 OG SER A 41 -6.208 -0.833 -0.404 1.00 0.00 O ATOM 0 H SER A 41 -6.753 2.093 2.768 1.00 0.00 H new ATOM 0 HA SER A 41 -6.904 -0.698 2.137 1.00 0.00 H new ATOM 0 HB2 SER A 41 -7.884 0.275 0.045 1.00 0.00 H new ATOM 0 HB3 SER A 41 -6.417 1.204 -0.189 1.00 0.00 H new ATOM 0 HG SER A 41 -6.388 -0.794 -1.367 1.00 0.00 H new ATOM 564 N CYS A 42 -4.267 -0.506 1.466 1.00 0.00 N ATOM 565 CA CYS A 42 -2.911 -0.821 1.890 1.00 0.00 C ATOM 566 C CYS A 42 -1.886 -0.264 0.933 1.00 0.00 C ATOM 567 O CYS A 42 -1.747 -0.736 -0.196 1.00 0.00 O ATOM 568 CB CYS A 42 -2.772 -2.337 1.967 1.00 0.00 C ATOM 569 SG CYS A 42 -1.279 -2.932 2.776 1.00 0.00 S ATOM 0 H CYS A 42 -4.554 -1.017 0.631 1.00 0.00 H new ATOM 0 HA CYS A 42 -2.731 -0.366 2.864 1.00 0.00 H new ATOM 0 HB2 CYS A 42 -3.637 -2.738 2.496 1.00 0.00 H new ATOM 0 HB3 CYS A 42 -2.802 -2.740 0.955 1.00 0.00 H new ATOM 573 N TYR A 43 -1.180 0.764 1.390 1.00 0.00 N ATOM 574 CA TYR A 43 -0.223 1.467 0.574 1.00 0.00 C ATOM 575 C TYR A 43 1.135 0.876 0.757 1.00 0.00 C ATOM 576 O TYR A 43 1.433 0.367 1.837 1.00 0.00 O ATOM 577 CB TYR A 43 -0.108 2.905 1.038 1.00 0.00 C ATOM 578 CG TYR A 43 0.360 3.892 -0.032 1.00 0.00 C ATOM 579 CD1 TYR A 43 0.011 3.753 -1.396 1.00 0.00 C ATOM 580 CD2 TYR A 43 1.375 4.803 0.308 1.00 0.00 C ATOM 581 CE1 TYR A 43 0.680 4.507 -2.378 1.00 0.00 C ATOM 582 CE2 TYR A 43 1.900 5.684 -0.649 1.00 0.00 C ATOM 583 CZ TYR A 43 1.469 5.595 -1.981 1.00 0.00 C ATOM 584 OH TYR A 43 1.840 6.509 -2.921 1.00 0.00 O ATOM 0 H TYR A 43 -1.262 1.127 2.340 1.00 0.00 H new ATOM 0 HA TYR A 43 -0.558 1.399 -0.461 1.00 0.00 H new ATOM 0 HB2 TYR A 43 -1.079 3.230 1.411 1.00 0.00 H new ATOM 0 HB3 TYR A 43 0.586 2.946 1.878 1.00 0.00 H new ATOM 0 HD1 TYR A 43 -0.771 3.066 -1.684 1.00 0.00 H new ATOM 0 HD2 TYR A 43 1.755 4.825 1.319 1.00 0.00 H new ATOM 0 HE1 TYR A 43 0.587 4.251 -3.423 1.00 0.00 H new ATOM 0 HE2 TYR A 43 2.631 6.426 -0.362 1.00 0.00 H new ATOM 0 HH TYR A 43 2.489 7.132 -2.533 1.00 0.00 H new ATOM 593 N CYS A 44 1.960 1.026 -0.272 1.00 0.00 N ATOM 594 CA CYS A 44 3.290 0.536 -0.305 1.00 0.00 C ATOM 595 C CYS A 44 4.141 1.441 -1.172 1.00 0.00 C ATOM 596 O CYS A 44 3.623 2.039 -2.116 1.00 0.00 O ATOM 597 CB CYS A 44 3.190 -0.831 -0.885 1.00 0.00 C ATOM 598 SG CYS A 44 2.280 -1.984 0.144 1.00 0.00 S ATOM 0 H CYS A 44 1.690 1.513 -1.127 1.00 0.00 H new ATOM 0 HA CYS A 44 3.756 0.510 0.680 1.00 0.00 H new ATOM 0 HB2 CYS A 44 2.707 -0.768 -1.860 1.00 0.00 H new ATOM 0 HB3 CYS A 44 4.194 -1.220 -1.051 1.00 0.00 H new ATOM 602 N PHE A 45 5.428 1.504 -0.831 1.00 0.00 N ATOM 603 CA PHE A 45 6.486 2.244 -1.477 1.00 0.00 C ATOM 604 C PHE A 45 7.597 1.224 -1.712 1.00 0.00 C ATOM 605 O PHE A 45 8.050 0.612 -0.750 1.00 0.00 O ATOM 606 CB PHE A 45 7.030 3.310 -0.516 1.00 0.00 C ATOM 607 CG PHE A 45 6.072 4.364 0.019 1.00 0.00 C ATOM 608 CD1 PHE A 45 5.091 4.005 0.961 1.00 0.00 C ATOM 609 CD2 PHE A 45 6.353 5.729 -0.185 1.00 0.00 C ATOM 610 CE1 PHE A 45 4.466 4.983 1.748 1.00 0.00 C ATOM 611 CE2 PHE A 45 5.636 6.717 0.515 1.00 0.00 C ATOM 612 CZ PHE A 45 4.720 6.342 1.512 1.00 0.00 C ATOM 0 H PHE A 45 5.776 0.989 -0.022 1.00 0.00 H new ATOM 0 HA PHE A 45 6.139 2.727 -2.390 1.00 0.00 H new ATOM 0 HB2 PHE A 45 7.465 2.793 0.339 1.00 0.00 H new ATOM 0 HB3 PHE A 45 7.844 3.829 -1.023 1.00 0.00 H new ATOM 0 HD1 PHE A 45 4.817 2.967 1.079 1.00 0.00 H new ATOM 0 HD2 PHE A 45 7.124 6.019 -0.883 1.00 0.00 H new ATOM 0 HE1 PHE A 45 3.789 4.690 2.536 1.00 0.00 H new ATOM 0 HE2 PHE A 45 5.790 7.761 0.286 1.00 0.00 H new ATOM 0 HZ PHE A 45 4.213 7.097 2.094 1.00 0.00 H new ATOM 621 N GLY A 46 8.040 1.014 -2.944 1.00 0.00 N ATOM 622 CA GLY A 46 9.116 0.097 -3.283 1.00 0.00 C ATOM 623 C GLY A 46 8.635 -1.171 -3.991 1.00 0.00 C ATOM 624 O GLY A 46 9.482 -1.865 -4.540 1.00 0.00 O ATOM 0 H GLY A 46 7.649 1.491 -3.757 1.00 0.00 H new ATOM 0 HA2 GLY A 46 9.833 0.611 -3.923 1.00 0.00 H new ATOM 0 HA3 GLY A 46 9.645 -0.183 -2.372 1.00 0.00 H new ATOM 628 N LEU A 47 7.320 -1.477 -3.971 1.00 0.00 N ATOM 629 CA LEU A 47 6.686 -2.598 -4.673 1.00 0.00 C ATOM 630 C LEU A 47 7.413 -2.882 -5.988 1.00 0.00 C ATOM 631 O LEU A 47 7.280 -2.139 -6.961 1.00 0.00 O ATOM 632 CB LEU A 47 5.165 -2.412 -4.913 1.00 0.00 C ATOM 633 CG LEU A 47 4.492 -1.252 -4.171 1.00 0.00 C ATOM 634 CD1 LEU A 47 5.050 0.076 -4.595 1.00 0.00 C ATOM 635 CD2 LEU A 47 2.968 -1.246 -4.326 1.00 0.00 C ATOM 0 H LEU A 47 6.648 -0.922 -3.441 1.00 0.00 H new ATOM 0 HA LEU A 47 6.776 -3.460 -4.012 1.00 0.00 H new ATOM 0 HB2 LEU A 47 5.003 -2.273 -5.982 1.00 0.00 H new ATOM 0 HB3 LEU A 47 4.660 -3.336 -4.631 1.00 0.00 H new ATOM 0 HG LEU A 47 4.716 -1.412 -3.116 1.00 0.00 H new ATOM 0 HD11 LEU A 47 4.548 0.873 -4.047 1.00 0.00 H new ATOM 0 HD12 LEU A 47 6.119 0.106 -4.382 1.00 0.00 H new ATOM 0 HD13 LEU A 47 4.889 0.214 -5.664 1.00 0.00 H new ATOM 0 HD21 LEU A 47 2.550 -0.401 -3.778 1.00 0.00 H new ATOM 0 HD22 LEU A 47 2.710 -1.158 -5.381 1.00 0.00 H new ATOM 0 HD23 LEU A 47 2.558 -2.175 -3.929 1.00 0.00 H new ATOM 646 N ASP A 48 8.243 -3.921 -5.953 1.00 0.00 N ATOM 647 CA ASP A 48 9.210 -4.249 -6.985 1.00 0.00 C ATOM 648 C ASP A 48 8.478 -4.552 -8.278 1.00 0.00 C ATOM 649 O ASP A 48 8.803 -4.027 -9.346 1.00 0.00 O ATOM 650 CB ASP A 48 10.033 -5.465 -6.567 1.00 0.00 C ATOM 651 CG ASP A 48 11.090 -5.702 -7.626 1.00 0.00 C ATOM 652 OD1 ASP A 48 12.077 -4.937 -7.630 1.00 0.00 O ATOM 653 OD2 ASP A 48 10.817 -6.452 -8.582 1.00 0.00 O ATOM 0 H ASP A 48 8.257 -4.579 -5.174 1.00 0.00 H new ATOM 0 HA ASP A 48 9.880 -3.402 -7.130 1.00 0.00 H new ATOM 0 HB2 ASP A 48 10.498 -5.295 -5.596 1.00 0.00 H new ATOM 0 HB3 ASP A 48 9.393 -6.341 -6.465 1.00 0.00 H new ATOM 657 N ASP A 49 7.491 -5.422 -8.116 1.00 0.00 N ATOM 658 CA ASP A 49 6.383 -5.629 -9.018 1.00 0.00 C ATOM 659 C ASP A 49 5.154 -4.921 -8.438 1.00 0.00 C ATOM 660 O ASP A 49 5.094 -4.645 -7.241 1.00 0.00 O ATOM 661 CB ASP A 49 6.174 -7.133 -9.143 1.00 0.00 C ATOM 662 CG ASP A 49 5.251 -7.540 -10.278 1.00 0.00 C ATOM 663 OD1 ASP A 49 4.691 -6.643 -10.941 1.00 0.00 O ATOM 664 OD2 ASP A 49 5.065 -8.771 -10.388 1.00 0.00 O ATOM 0 H ASP A 49 7.446 -6.035 -7.302 1.00 0.00 H new ATOM 0 HA ASP A 49 6.568 -5.218 -10.010 1.00 0.00 H new ATOM 0 HB2 ASP A 49 7.142 -7.612 -9.287 1.00 0.00 H new ATOM 0 HB3 ASP A 49 5.767 -7.511 -8.205 1.00 0.00 H new ATOM 668 N ASP A 50 4.178 -4.646 -9.297 1.00 0.00 N ATOM 669 CA ASP A 50 3.042 -3.752 -9.048 1.00 0.00 C ATOM 670 C ASP A 50 1.714 -4.501 -9.227 1.00 0.00 C ATOM 671 O ASP A 50 0.708 -3.949 -9.678 1.00 0.00 O ATOM 672 CB ASP A 50 3.152 -2.613 -10.060 1.00 0.00 C ATOM 673 CG ASP A 50 2.366 -1.370 -9.669 1.00 0.00 C ATOM 674 OD1 ASP A 50 2.308 -1.063 -8.458 1.00 0.00 O ATOM 675 OD2 ASP A 50 1.931 -0.614 -10.562 1.00 0.00 O ATOM 0 H ASP A 50 4.152 -5.057 -10.230 1.00 0.00 H new ATOM 0 HA ASP A 50 3.062 -3.373 -8.026 1.00 0.00 H new ATOM 0 HB2 ASP A 50 4.202 -2.346 -10.180 1.00 0.00 H new ATOM 0 HB3 ASP A 50 2.800 -2.965 -11.030 1.00 0.00 H new ATOM 679 N LYS A 51 1.775 -5.785 -8.874 1.00 0.00 N ATOM 680 CA LYS A 51 0.973 -6.940 -9.267 1.00 0.00 C ATOM 681 C LYS A 51 -0.282 -6.590 -10.054 1.00 0.00 C ATOM 682 O LYS A 51 -0.441 -6.963 -11.212 1.00 0.00 O ATOM 683 CB LYS A 51 0.618 -7.777 -8.023 1.00 0.00 C ATOM 684 CG LYS A 51 1.823 -8.237 -7.189 1.00 0.00 C ATOM 685 CD LYS A 51 2.894 -8.838 -8.102 1.00 0.00 C ATOM 686 CE LYS A 51 3.947 -9.681 -7.373 1.00 0.00 C ATOM 687 NZ LYS A 51 4.841 -10.361 -8.334 1.00 0.00 N ATOM 0 H LYS A 51 2.492 -6.077 -8.210 1.00 0.00 H new ATOM 0 HA LYS A 51 1.590 -7.523 -9.950 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -0.044 -7.191 -7.386 1.00 0.00 H new ATOM 0 HB3 LYS A 51 0.058 -8.656 -8.342 1.00 0.00 H new ATOM 0 HG2 LYS A 51 2.236 -7.393 -6.637 1.00 0.00 H new ATOM 0 HG3 LYS A 51 1.505 -8.975 -6.453 1.00 0.00 H new ATOM 0 HD2 LYS A 51 2.407 -9.458 -8.854 1.00 0.00 H new ATOM 0 HD3 LYS A 51 3.397 -8.030 -8.633 1.00 0.00 H new ATOM 0 HE2 LYS A 51 4.535 -9.043 -6.713 1.00 0.00 H new ATOM 0 HE3 LYS A 51 3.453 -10.422 -6.744 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 5.832 -10.176 -8.077 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 4.663 -11.385 -8.309 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 4.658 -10.001 -9.292 1.00 0.00 H new ATOM 697 N ALA A 52 -1.175 -5.893 -9.368 1.00 0.00 N ATOM 698 CA ALA A 52 -2.407 -5.368 -9.924 1.00 0.00 C ATOM 699 C ALA A 52 -2.900 -4.280 -8.990 1.00 0.00 C ATOM 700 O ALA A 52 -4.017 -4.346 -8.480 1.00 0.00 O ATOM 701 CB ALA A 52 -3.432 -6.497 -10.084 1.00 0.00 C ATOM 0 H ALA A 52 -1.056 -5.672 -8.379 1.00 0.00 H new ATOM 0 HA ALA A 52 -2.247 -4.946 -10.916 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -4.355 -6.094 -10.502 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -3.033 -7.259 -10.753 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -3.639 -6.941 -9.110 1.00 0.00 H new ATOM 707 N VAL A 53 -2.024 -3.311 -8.714 1.00 0.00 N ATOM 708 CA VAL A 53 -2.301 -2.338 -7.669 1.00 0.00 C ATOM 709 C VAL A 53 -3.632 -1.625 -7.877 1.00 0.00 C ATOM 710 O VAL A 53 -4.039 -1.317 -8.999 1.00 0.00 O ATOM 711 CB VAL A 53 -1.181 -1.304 -7.490 1.00 0.00 C ATOM 712 CG1 VAL A 53 0.042 -1.944 -6.834 1.00 0.00 C ATOM 713 CG2 VAL A 53 -0.835 -0.601 -8.805 1.00 0.00 C ATOM 0 H VAL A 53 -1.133 -3.184 -9.194 1.00 0.00 H new ATOM 0 HA VAL A 53 -2.359 -2.925 -6.752 1.00 0.00 H new ATOM 0 HB VAL A 53 -1.545 -0.526 -6.819 1.00 0.00 H new ATOM 0 HG11 VAL A 53 0.825 -1.195 -6.716 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -0.234 -2.338 -5.856 1.00 0.00 H new ATOM 0 HG13 VAL A 53 0.409 -2.756 -7.462 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -0.038 0.122 -8.632 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -0.503 -1.339 -9.536 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -1.717 -0.085 -9.185 1.00 0.00 H new ATOM 723 N LEU A 54 -4.297 -1.331 -6.764 1.00 0.00 N ATOM 724 CA LEU A 54 -5.482 -0.507 -6.773 1.00 0.00 C ATOM 725 C LEU A 54 -5.093 0.935 -7.055 1.00 0.00 C ATOM 726 O LEU A 54 -3.929 1.336 -7.017 1.00 0.00 O ATOM 727 CB LEU A 54 -6.228 -0.639 -5.444 1.00 0.00 C ATOM 728 CG LEU A 54 -7.189 -1.837 -5.410 1.00 0.00 C ATOM 729 CD1 LEU A 54 -6.597 -3.108 -6.019 1.00 0.00 C ATOM 730 CD2 LEU A 54 -7.609 -2.100 -3.965 1.00 0.00 C ATOM 0 H LEU A 54 -4.024 -1.660 -5.838 1.00 0.00 H new ATOM 0 HA LEU A 54 -6.156 -0.841 -7.562 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -5.504 -0.739 -4.636 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -6.790 0.276 -5.257 1.00 0.00 H new ATOM 0 HG LEU A 54 -8.051 -1.576 -6.024 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -7.329 -3.914 -5.962 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -6.339 -2.926 -7.062 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -5.701 -3.392 -5.468 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -8.291 -2.949 -3.933 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -6.727 -2.321 -3.364 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -8.109 -1.218 -3.565 1.00 0.00 H new ATOM 741 N LYS A 55 -6.134 1.701 -7.342 1.00 0.00 N ATOM 742 CA LYS A 55 -6.066 3.087 -7.749 1.00 0.00 C ATOM 743 C LYS A 55 -6.327 3.990 -6.549 1.00 0.00 C ATOM 744 O LYS A 55 -7.267 3.755 -5.790 1.00 0.00 O ATOM 745 CB LYS A 55 -7.010 3.332 -8.935 1.00 0.00 C ATOM 746 CG LYS A 55 -8.489 3.010 -8.657 1.00 0.00 C ATOM 747 CD LYS A 55 -9.375 3.189 -9.903 1.00 0.00 C ATOM 748 CE LYS A 55 -9.507 1.931 -10.782 1.00 0.00 C ATOM 749 NZ LYS A 55 -8.230 1.490 -11.381 1.00 0.00 N ATOM 0 H LYS A 55 -7.091 1.353 -7.294 1.00 0.00 H new ATOM 0 HA LYS A 55 -5.066 3.335 -8.105 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -6.930 4.377 -9.236 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -6.674 2.731 -9.780 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -8.573 1.984 -8.300 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -8.855 3.656 -7.859 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -10.370 3.499 -9.584 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -8.968 3.999 -10.509 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -9.916 1.119 -10.180 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -10.223 2.129 -11.579 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -8.421 0.812 -12.146 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -7.725 2.313 -11.766 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -7.644 1.034 -10.653 1.00 0.00 H new ATOM 759 N ILE A 56 -5.482 5.006 -6.380 1.00 0.00 N ATOM 760 CA ILE A 56 -5.582 5.995 -5.323 1.00 0.00 C ATOM 761 C ILE A 56 -6.247 7.251 -5.880 1.00 0.00 C ATOM 762 O ILE A 56 -5.952 7.679 -6.992 1.00 0.00 O ATOM 763 CB ILE A 56 -4.203 6.284 -4.681 1.00 0.00 C ATOM 764 CG1 ILE A 56 -2.999 6.161 -5.636 1.00 0.00 C ATOM 765 CG2 ILE A 56 -4.009 5.364 -3.476 1.00 0.00 C ATOM 766 CD1 ILE A 56 -1.666 6.203 -4.884 1.00 0.00 C ATOM 0 H ILE A 56 -4.686 5.163 -6.998 1.00 0.00 H new ATOM 0 HA ILE A 56 -6.204 5.606 -4.517 1.00 0.00 H new ATOM 0 HB ILE A 56 -4.224 7.333 -4.384 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -3.072 5.227 -6.193 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -3.030 6.971 -6.365 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -3.039 5.562 -3.019 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -4.798 5.548 -2.747 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -4.051 4.325 -3.801 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -0.844 6.113 -5.595 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -1.580 7.148 -4.348 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -1.623 5.378 -4.173 1.00 0.00 H new ATOM 777 N LYS A 57 -7.153 7.833 -5.090 1.00 0.00 N ATOM 778 CA LYS A 57 -7.707 9.148 -5.350 1.00 0.00 C ATOM 779 C LYS A 57 -6.592 10.146 -5.062 1.00 0.00 C ATOM 780 O LYS A 57 -5.805 9.908 -4.151 1.00 0.00 O ATOM 781 CB LYS A 57 -8.904 9.449 -4.435 1.00 0.00 C ATOM 782 CG LYS A 57 -9.924 8.303 -4.257 1.00 0.00 C ATOM 783 CD LYS A 57 -9.690 7.376 -3.045 1.00 0.00 C ATOM 784 CE LYS A 57 -10.178 7.966 -1.707 1.00 0.00 C ATOM 785 NZ LYS A 57 -9.651 7.230 -0.531 1.00 0.00 N ATOM 0 H LYS A 57 -7.521 7.394 -4.246 1.00 0.00 H new ATOM 0 HA LYS A 57 -8.064 9.208 -6.378 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -8.524 9.727 -3.452 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -9.429 10.318 -4.831 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -10.919 8.738 -4.170 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -9.920 7.695 -5.162 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -10.199 6.428 -3.221 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -8.625 7.156 -2.968 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -9.874 9.011 -1.643 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -11.268 7.949 -1.683 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -10.407 7.113 0.173 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -9.310 6.294 -0.831 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -8.865 7.766 -0.110 1.00 0.00 H new ATOM 795 N ASP A 58 -6.524 11.266 -5.776 1.00 0.00 N ATOM 796 CA ASP A 58 -5.344 12.127 -5.697 1.00 0.00 C ATOM 797 C ASP A 58 -5.183 12.709 -4.294 1.00 0.00 C ATOM 798 O ASP A 58 -4.100 12.760 -3.711 1.00 0.00 O ATOM 799 CB ASP A 58 -5.381 13.233 -6.751 1.00 0.00 C ATOM 800 CG ASP A 58 -3.961 13.489 -7.233 1.00 0.00 C ATOM 801 OD1 ASP A 58 -3.229 14.269 -6.585 1.00 0.00 O ATOM 802 OD2 ASP A 58 -3.520 12.801 -8.180 1.00 0.00 O ATOM 0 H ASP A 58 -7.256 11.596 -6.405 1.00 0.00 H new ATOM 0 HA ASP A 58 -4.473 11.507 -5.907 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -6.017 12.939 -7.586 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -5.808 14.143 -6.330 1.00 0.00 H new ATOM 806 N ALA A 59 -6.318 13.089 -3.720 1.00 0.00 N ATOM 807 CA ALA A 59 -6.384 13.477 -2.323 1.00 0.00 C ATOM 808 C ALA A 59 -5.894 12.358 -1.399 1.00 0.00 C ATOM 809 O ALA A 59 -5.181 12.637 -0.439 1.00 0.00 O ATOM 810 CB ALA A 59 -7.808 13.911 -1.967 1.00 0.00 C ATOM 0 H ALA A 59 -7.212 13.136 -4.209 1.00 0.00 H new ATOM 0 HA ALA A 59 -5.714 14.324 -2.173 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -7.848 14.200 -0.917 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -8.096 14.759 -2.588 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -8.495 13.083 -2.142 1.00 0.00 H new ATOM 816 N THR A 60 -6.258 11.095 -1.662 1.00 0.00 N ATOM 817 CA THR A 60 -5.861 9.999 -0.789 1.00 0.00 C ATOM 818 C THR A 60 -4.366 9.732 -0.954 1.00 0.00 C ATOM 819 O THR A 60 -3.685 9.505 0.032 1.00 0.00 O ATOM 820 CB THR A 60 -6.739 8.751 -1.017 1.00 0.00 C ATOM 821 OG1 THR A 60 -7.278 8.257 0.194 1.00 0.00 O ATOM 822 CG2 THR A 60 -6.036 7.585 -1.708 1.00 0.00 C ATOM 0 H THR A 60 -6.821 10.816 -2.466 1.00 0.00 H new ATOM 0 HA THR A 60 -6.028 10.280 0.251 1.00 0.00 H new ATOM 0 HB THR A 60 -7.521 9.118 -1.682 1.00 0.00 H new ATOM 0 HG1 THR A 60 -6.853 7.402 0.417 1.00 0.00 H new ATOM 0 HG21 THR A 60 -6.734 6.756 -1.823 1.00 0.00 H new ATOM 0 HG22 THR A 60 -5.684 7.902 -2.690 1.00 0.00 H new ATOM 0 HG23 THR A 60 -5.187 7.263 -1.105 1.00 0.00 H new ATOM 830 N LYS A 61 -3.859 9.757 -2.188 1.00 0.00 N ATOM 831 CA LYS A 61 -2.446 9.685 -2.517 1.00 0.00 C ATOM 832 C LYS A 61 -1.706 10.706 -1.677 1.00 0.00 C ATOM 833 O LYS A 61 -0.853 10.348 -0.880 1.00 0.00 O ATOM 834 CB LYS A 61 -2.352 9.994 -4.015 1.00 0.00 C ATOM 835 CG LYS A 61 -1.052 10.542 -4.631 1.00 0.00 C ATOM 836 CD LYS A 61 -1.535 11.557 -5.676 1.00 0.00 C ATOM 837 CE LYS A 61 -0.462 12.137 -6.601 1.00 0.00 C ATOM 838 NZ LYS A 61 -1.065 13.156 -7.491 1.00 0.00 N ATOM 0 H LYS A 61 -4.451 9.831 -3.015 1.00 0.00 H new ATOM 0 HA LYS A 61 -2.001 8.712 -2.310 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -2.594 9.074 -4.547 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -3.141 10.711 -4.243 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -0.422 11.014 -3.878 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -0.462 9.748 -5.089 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -2.296 11.078 -6.292 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -2.020 12.382 -5.154 1.00 0.00 H new ATOM 0 HE2 LYS A 61 0.338 12.584 -6.010 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -0.013 11.342 -7.196 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -0.317 13.619 -8.046 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -1.741 12.698 -8.135 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -1.561 13.868 -6.918 1.00 0.00 H new ATOM 848 N SER A 62 -2.054 11.979 -1.854 1.00 0.00 N ATOM 849 CA SER A 62 -1.386 13.058 -1.132 1.00 0.00 C ATOM 850 C SER A 62 -1.405 12.789 0.379 1.00 0.00 C ATOM 851 O SER A 62 -0.354 12.750 1.022 1.00 0.00 O ATOM 852 CB SER A 62 -2.028 14.402 -1.503 1.00 0.00 C ATOM 853 OG SER A 62 -1.236 15.485 -1.051 1.00 0.00 O ATOM 0 H SER A 62 -2.791 12.287 -2.488 1.00 0.00 H new ATOM 0 HA SER A 62 -0.337 13.104 -1.425 1.00 0.00 H new ATOM 0 HB2 SER A 62 -2.152 14.464 -2.584 1.00 0.00 H new ATOM 0 HB3 SER A 62 -3.024 14.467 -1.064 1.00 0.00 H new ATOM 0 HG SER A 62 -1.665 16.330 -1.301 1.00 0.00 H new ATOM 858 N TYR A 63 -2.605 12.572 0.930 1.00 0.00 N ATOM 859 CA TYR A 63 -2.816 12.223 2.329 1.00 0.00 C ATOM 860 C TYR A 63 -1.901 11.081 2.755 1.00 0.00 C ATOM 861 O TYR A 63 -1.350 11.093 3.853 1.00 0.00 O ATOM 862 CB TYR A 63 -4.277 11.792 2.529 1.00 0.00 C ATOM 863 CG TYR A 63 -4.633 11.331 3.933 1.00 0.00 C ATOM 864 CD1 TYR A 63 -4.253 12.100 5.049 1.00 0.00 C ATOM 865 CD2 TYR A 63 -5.250 10.077 4.130 1.00 0.00 C ATOM 866 CE1 TYR A 63 -4.419 11.591 6.349 1.00 0.00 C ATOM 867 CE2 TYR A 63 -5.393 9.561 5.429 1.00 0.00 C ATOM 868 CZ TYR A 63 -4.972 10.314 6.536 1.00 0.00 C ATOM 869 OH TYR A 63 -5.103 9.798 7.790 1.00 0.00 O ATOM 0 H TYR A 63 -3.473 12.637 0.398 1.00 0.00 H new ATOM 0 HA TYR A 63 -2.588 13.098 2.938 1.00 0.00 H new ATOM 0 HB2 TYR A 63 -4.924 12.628 2.264 1.00 0.00 H new ATOM 0 HB3 TYR A 63 -4.499 10.984 1.832 1.00 0.00 H new ATOM 0 HD1 TYR A 63 -3.832 13.084 4.906 1.00 0.00 H new ATOM 0 HD2 TYR A 63 -5.612 9.514 3.282 1.00 0.00 H new ATOM 0 HE1 TYR A 63 -4.121 12.182 7.203 1.00 0.00 H new ATOM 0 HE2 TYR A 63 -5.828 8.583 5.576 1.00 0.00 H new ATOM 0 HH TYR A 63 -5.505 8.906 7.736 1.00 0.00 H new ATOM 878 N CYS A 64 -1.795 10.074 1.893 1.00 0.00 N ATOM 879 CA CYS A 64 -1.116 8.821 2.151 1.00 0.00 C ATOM 880 C CYS A 64 0.177 8.690 1.351 1.00 0.00 C ATOM 881 O CYS A 64 0.466 7.581 0.916 1.00 0.00 O ATOM 882 CB CYS A 64 -2.034 7.635 1.831 1.00 0.00 C ATOM 883 SG CYS A 64 -3.509 7.445 2.839 1.00 0.00 S ATOM 0 H CYS A 64 -2.199 10.117 0.958 1.00 0.00 H new ATOM 0 HA CYS A 64 -0.860 8.814 3.210 1.00 0.00 H new ATOM 0 HB2 CYS A 64 -2.345 7.719 0.790 1.00 0.00 H new ATOM 0 HB3 CYS A 64 -1.447 6.721 1.915 1.00 0.00 H new ATOM 887 N ASP A 65 0.988 9.742 1.191 1.00 0.00 N ATOM 888 CA ASP A 65 2.350 9.581 0.673 1.00 0.00 C ATOM 889 C ASP A 65 3.351 10.370 1.513 1.00 0.00 C ATOM 890 O ASP A 65 4.294 9.807 2.073 1.00 0.00 O ATOM 891 CB ASP A 65 2.396 9.959 -0.806 1.00 0.00 C ATOM 892 CG ASP A 65 3.647 9.382 -1.454 1.00 0.00 C ATOM 893 OD1 ASP A 65 4.725 9.966 -1.229 1.00 0.00 O ATOM 894 OD2 ASP A 65 3.505 8.344 -2.143 1.00 0.00 O ATOM 0 H ASP A 65 0.728 10.704 1.410 1.00 0.00 H new ATOM 0 HA ASP A 65 2.641 8.534 0.751 1.00 0.00 H new ATOM 0 HB2 ASP A 65 1.508 9.583 -1.313 1.00 0.00 H new ATOM 0 HB3 ASP A 65 2.389 11.044 -0.913 1.00 0.00 H new ATOM 898 N VAL A 66 3.073 11.667 1.682 1.00 0.00 N ATOM 899 CA VAL A 66 3.850 12.591 2.508 1.00 0.00 C ATOM 900 C VAL A 66 4.128 12.012 3.904 1.00 0.00 C ATOM 901 O VAL A 66 5.175 12.275 4.487 1.00 0.00 O ATOM 902 CB VAL A 66 3.117 13.946 2.582 1.00 0.00 C ATOM 903 CG1 VAL A 66 3.880 14.958 3.450 1.00 0.00 C ATOM 904 CG2 VAL A 66 2.936 14.555 1.183 1.00 0.00 C ATOM 0 H VAL A 66 2.275 12.115 1.232 1.00 0.00 H new ATOM 0 HA VAL A 66 4.825 12.744 2.045 1.00 0.00 H new ATOM 0 HB VAL A 66 2.144 13.745 3.030 1.00 0.00 H new ATOM 0 HG11 VAL A 66 3.332 15.900 3.478 1.00 0.00 H new ATOM 0 HG12 VAL A 66 3.980 14.567 4.462 1.00 0.00 H new ATOM 0 HG13 VAL A 66 4.870 15.127 3.027 1.00 0.00 H new ATOM 0 HG21 VAL A 66 2.416 15.510 1.266 1.00 0.00 H new ATOM 0 HG22 VAL A 66 3.913 14.712 0.725 1.00 0.00 H new ATOM 0 HG23 VAL A 66 2.350 13.876 0.564 1.00 0.00 H new ATOM 914 N GLN A 67 3.187 11.205 4.402 1.00 0.00 N ATOM 915 CA GLN A 67 3.220 10.362 5.585 1.00 0.00 C ATOM 916 C GLN A 67 4.619 10.083 6.126 1.00 0.00 C ATOM 917 O GLN A 67 4.924 10.386 7.277 1.00 0.00 O ATOM 918 CB GLN A 67 2.550 9.047 5.168 1.00 0.00 C ATOM 919 CG GLN A 67 1.028 9.183 5.143 1.00 0.00 C ATOM 920 CD GLN A 67 0.374 9.375 6.467 1.00 0.00 C ATOM 921 OE1 GLN A 67 0.835 8.941 7.516 1.00 0.00 O ATOM 922 NE2 GLN A 67 -0.823 9.911 6.350 1.00 0.00 N ATOM 0 H GLN A 67 2.287 11.123 3.928 1.00 0.00 H new ATOM 0 HA GLN A 67 2.710 10.875 6.400 1.00 0.00 H new ATOM 0 HB2 GLN A 67 2.907 8.751 4.182 1.00 0.00 H new ATOM 0 HB3 GLN A 67 2.835 8.255 5.861 1.00 0.00 H new ATOM 0 HG2 GLN A 67 0.768 10.027 4.504 1.00 0.00 H new ATOM 0 HG3 GLN A 67 0.610 8.290 4.678 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -1.142 10.252 5.444 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -1.431 9.985 7.166 1.00 0.00 H new ATOM 929 N ILE A 68 5.455 9.447 5.308 1.00 0.00 N ATOM 930 CA ILE A 68 6.734 8.933 5.746 1.00 0.00 C ATOM 931 C ILE A 68 7.707 10.065 6.103 1.00 0.00 C ATOM 932 O ILE A 68 8.588 9.879 6.940 1.00 0.00 O ATOM 933 CB ILE A 68 7.247 7.978 4.666 1.00 0.00 C ATOM 934 CG1 ILE A 68 6.287 6.787 4.486 1.00 0.00 C ATOM 935 CG2 ILE A 68 8.658 7.489 4.969 1.00 0.00 C ATOM 936 CD1 ILE A 68 6.009 5.919 5.730 1.00 0.00 C ATOM 0 H ILE A 68 5.256 9.277 4.322 1.00 0.00 H new ATOM 0 HA ILE A 68 6.632 8.372 6.675 1.00 0.00 H new ATOM 0 HB ILE A 68 7.286 8.536 3.731 1.00 0.00 H new ATOM 0 HG12 ILE A 68 5.335 7.172 4.121 1.00 0.00 H new ATOM 0 HG13 ILE A 68 6.690 6.142 3.706 1.00 0.00 H new ATOM 0 HG21 ILE A 68 8.986 6.813 4.179 1.00 0.00 H new ATOM 0 HG22 ILE A 68 9.335 8.342 5.022 1.00 0.00 H new ATOM 0 HG23 ILE A 68 8.663 6.962 5.923 1.00 0.00 H new ATOM 0 HD11 ILE A 68 5.319 5.117 5.467 1.00 0.00 H new ATOM 0 HD12 ILE A 68 6.944 5.490 6.091 1.00 0.00 H new ATOM 0 HD13 ILE A 68 5.567 6.536 6.513 1.00 0.00 H new ATOM 947 N ILE A 69 7.557 11.249 5.503 1.00 0.00 N ATOM 948 CA ILE A 69 8.390 12.396 5.833 1.00 0.00 C ATOM 949 C ILE A 69 8.069 12.815 7.272 1.00 0.00 C ATOM 950 O ILE A 69 7.340 13.776 7.515 1.00 0.00 O ATOM 951 CB ILE A 69 8.203 13.528 4.799 1.00 0.00 C ATOM 952 CG1 ILE A 69 8.399 12.988 3.368 1.00 0.00 C ATOM 953 CG2 ILE A 69 9.203 14.664 5.076 1.00 0.00 C ATOM 954 CD1 ILE A 69 8.235 14.060 2.287 1.00 0.00 C ATOM 0 H ILE A 69 6.860 11.433 4.782 1.00 0.00 H new ATOM 0 HA ILE A 69 9.448 12.140 5.783 1.00 0.00 H new ATOM 0 HB ILE A 69 7.189 13.917 4.888 1.00 0.00 H new ATOM 0 HG12 ILE A 69 9.393 12.549 3.286 1.00 0.00 H new ATOM 0 HG13 ILE A 69 7.681 12.188 3.188 1.00 0.00 H new ATOM 0 HG21 ILE A 69 9.064 15.458 4.342 1.00 0.00 H new ATOM 0 HG22 ILE A 69 9.034 15.061 6.077 1.00 0.00 H new ATOM 0 HG23 ILE A 69 10.220 14.279 5.005 1.00 0.00 H new ATOM 0 HD11 ILE A 69 8.386 13.612 1.305 1.00 0.00 H new ATOM 0 HD12 ILE A 69 7.232 14.483 2.343 1.00 0.00 H new ATOM 0 HD13 ILE A 69 8.970 14.849 2.443 1.00 0.00 H new