USER MOD reduce.3.24.130724 H: found=0, std=0, add=584, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 585 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 63 LYS NZ :NH3+ 167:sc=-0.00756 (180deg=-0.176) USER MOD Set 1.2: A 66 GLN : amide:sc= -0.969 X(o=-0.98,f=-0.5) USER MOD Set 2.1: A 42 SER OG : rot 180:sc=-0.00226 USER MOD Set 2.2: A 84 MET CE :methyl 150:sc= -2.86! (180deg=-2.89!) USER MOD Single : A 11 SER OG : rot -30:sc= 0.264 USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 THR OG1 : rot 94:sc= 1.23 USER MOD Single : A 21 ASN : amide:sc= 0 X(o=0,f=-0.41) USER MOD Single : A 23 MET CE :methyl 166:sc= -0.112 (180deg=-0.487) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 THR OG1 : rot 13:sc= 0.506 USER MOD Single : A 28 SER OG : rot -24:sc= 1.24 USER MOD Single : A 30 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 38 MET CE :methyl -107:sc= -0.311 (180deg=-2.21) USER MOD Single : A 40 ASN : amide:sc= 0.398 K(o=0.4,f=-0.13) USER MOD Single : A 45 SER OG : rot 66:sc= 1.23 USER MOD Single : A 49 LYS NZ :NH3+ -160:sc= 1.24 (180deg=0.788) USER MOD Single : A 52 GLN : amide:sc= 0 X(o=0,f=-0.44) USER MOD Single : A 53 SER OG : rot 62:sc= 0.918 USER MOD Single : A 57 SER OG : rot 180:sc= 0.0134 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 ASN : amide:sc= -1.59! C(o=-1.6!,f=-3.6!) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 GLN : amide:sc= 1.13 K(o=1.1,f=-0.4) USER MOD Single : A 74 MET CE :methyl -158:sc= -0.114 (180deg=-1.42) USER MOD Single : A 78 THR OG1 : rot -160:sc= 0.101 USER MOD Single : A 83 THR OG1 : rot 66:sc= -2.88! USER MOD ----------------------------------------------------------------- ATOM 55 N SER A 11 6.977 -12.150 -4.559 1.00 0.00 N ATOM 56 CA SER A 11 6.899 -10.728 -4.921 1.00 0.00 C ATOM 57 C SER A 11 6.225 -9.880 -3.833 1.00 0.00 C ATOM 58 O SER A 11 6.724 -8.816 -3.469 1.00 0.00 O ATOM 59 CB SER A 11 6.162 -10.572 -6.252 1.00 0.00 C ATOM 60 OG SER A 11 4.963 -11.337 -6.257 1.00 0.00 O ATOM 0 HA SER A 11 7.920 -10.359 -5.021 1.00 0.00 H new ATOM 0 HB2 SER A 11 5.929 -9.521 -6.423 1.00 0.00 H new ATOM 0 HB3 SER A 11 6.807 -10.893 -7.070 1.00 0.00 H new ATOM 0 HG SER A 11 5.073 -12.122 -5.681 1.00 0.00 H new ATOM 66 N GLU A 12 5.107 -10.374 -3.309 1.00 0.00 N ATOM 67 CA GLU A 12 4.345 -9.675 -2.267 1.00 0.00 C ATOM 68 C GLU A 12 5.195 -9.425 -1.016 1.00 0.00 C ATOM 69 O GLU A 12 5.097 -8.381 -0.381 1.00 0.00 O ATOM 70 CB GLU A 12 3.122 -10.505 -1.887 1.00 0.00 C ATOM 71 CG GLU A 12 2.159 -10.756 -3.032 1.00 0.00 C ATOM 72 CD GLU A 12 1.121 -11.795 -2.681 1.00 0.00 C ATOM 73 OE1 GLU A 12 0.152 -11.464 -1.965 1.00 0.00 O ATOM 74 OE2 GLU A 12 1.279 -12.958 -3.106 1.00 0.00 O ATOM 0 H GLU A 12 4.701 -11.266 -3.590 1.00 0.00 H new ATOM 0 HA GLU A 12 4.038 -8.709 -2.668 1.00 0.00 H new ATOM 0 HB2 GLU A 12 3.457 -11.464 -1.492 1.00 0.00 H new ATOM 0 HB3 GLU A 12 2.588 -9.998 -1.083 1.00 0.00 H new ATOM 0 HG2 GLU A 12 1.662 -9.823 -3.299 1.00 0.00 H new ATOM 0 HG3 GLU A 12 2.717 -11.083 -3.910 1.00 0.00 H new ATOM 81 N THR A 13 6.029 -10.384 -0.688 1.00 0.00 N ATOM 82 CA THR A 13 6.856 -10.315 0.502 1.00 0.00 C ATOM 83 C THR A 13 8.192 -9.626 0.200 1.00 0.00 C ATOM 84 O THR A 13 8.860 -9.105 1.095 1.00 0.00 O ATOM 85 CB THR A 13 7.108 -11.736 1.040 1.00 0.00 C ATOM 86 OG1 THR A 13 5.851 -12.421 1.160 1.00 0.00 O ATOM 87 CG2 THR A 13 7.790 -11.701 2.400 1.00 0.00 C ATOM 0 H THR A 13 6.156 -11.235 -1.236 1.00 0.00 H new ATOM 0 HA THR A 13 6.331 -9.727 1.256 1.00 0.00 H new ATOM 0 HB THR A 13 7.764 -12.257 0.342 1.00 0.00 H new ATOM 0 HG1 THR A 13 6.003 -13.327 1.500 1.00 0.00 H new ATOM 0 HG21 THR A 13 7.953 -12.720 2.751 1.00 0.00 H new ATOM 0 HG22 THR A 13 8.748 -11.189 2.313 1.00 0.00 H new ATOM 0 HG23 THR A 13 7.157 -11.169 3.111 1.00 0.00 H new ATOM 95 N TYR A 14 8.554 -9.609 -1.064 1.00 0.00 N ATOM 96 CA TYR A 14 9.808 -9.043 -1.503 1.00 0.00 C ATOM 97 C TYR A 14 9.748 -7.519 -1.564 1.00 0.00 C ATOM 98 O TYR A 14 10.759 -6.846 -1.380 1.00 0.00 O ATOM 99 CB TYR A 14 10.176 -9.622 -2.875 1.00 0.00 C ATOM 100 CG TYR A 14 11.364 -8.963 -3.529 1.00 0.00 C ATOM 101 CD1 TYR A 14 12.658 -9.335 -3.203 1.00 0.00 C ATOM 102 CD2 TYR A 14 11.186 -7.965 -4.476 1.00 0.00 C ATOM 103 CE1 TYR A 14 13.743 -8.732 -3.802 1.00 0.00 C ATOM 104 CE2 TYR A 14 12.259 -7.355 -5.079 1.00 0.00 C ATOM 105 CZ TYR A 14 13.539 -7.742 -4.740 1.00 0.00 C ATOM 106 OH TYR A 14 14.617 -7.140 -5.345 1.00 0.00 O ATOM 0 H TYR A 14 7.983 -9.990 -1.819 1.00 0.00 H new ATOM 0 HA TYR A 14 10.577 -9.307 -0.777 1.00 0.00 H new ATOM 0 HB2 TYR A 14 10.382 -10.687 -2.764 1.00 0.00 H new ATOM 0 HB3 TYR A 14 9.315 -9.531 -3.537 1.00 0.00 H new ATOM 0 HD1 TYR A 14 12.819 -10.110 -2.468 1.00 0.00 H new ATOM 0 HD2 TYR A 14 10.185 -7.662 -4.744 1.00 0.00 H new ATOM 0 HE1 TYR A 14 14.746 -9.033 -3.539 1.00 0.00 H new ATOM 0 HE2 TYR A 14 12.102 -6.578 -5.813 1.00 0.00 H new ATOM 0 HH TYR A 14 14.300 -6.465 -5.981 1.00 0.00 H new ATOM 116 N ILE A 15 8.566 -6.978 -1.779 1.00 0.00 N ATOM 117 CA ILE A 15 8.423 -5.550 -1.934 1.00 0.00 C ATOM 118 C ILE A 15 8.175 -4.876 -0.586 1.00 0.00 C ATOM 119 O ILE A 15 7.214 -5.193 0.130 1.00 0.00 O ATOM 120 CB ILE A 15 7.302 -5.185 -2.956 1.00 0.00 C ATOM 121 CG1 ILE A 15 7.175 -3.666 -3.111 1.00 0.00 C ATOM 122 CG2 ILE A 15 5.965 -5.804 -2.564 1.00 0.00 C ATOM 123 CD1 ILE A 15 8.427 -2.995 -3.630 1.00 0.00 C ATOM 0 H ILE A 15 7.696 -7.505 -1.850 1.00 0.00 H new ATOM 0 HA ILE A 15 9.363 -5.172 -2.337 1.00 0.00 H new ATOM 0 HB ILE A 15 7.589 -5.603 -3.921 1.00 0.00 H new ATOM 0 HG12 ILE A 15 6.350 -3.448 -3.789 1.00 0.00 H new ATOM 0 HG13 ILE A 15 6.916 -3.233 -2.145 1.00 0.00 H new ATOM 0 HG21 ILE A 15 5.208 -5.529 -3.298 1.00 0.00 H new ATOM 0 HG22 ILE A 15 6.062 -6.889 -2.532 1.00 0.00 H new ATOM 0 HG23 ILE A 15 5.668 -5.437 -1.581 1.00 0.00 H new ATOM 0 HD11 ILE A 15 8.257 -1.921 -3.712 1.00 0.00 H new ATOM 0 HD12 ILE A 15 9.251 -3.180 -2.941 1.00 0.00 H new ATOM 0 HD13 ILE A 15 8.676 -3.399 -4.611 1.00 0.00 H new ATOM 135 N THR A 16 9.050 -3.968 -0.237 1.00 0.00 N ATOM 136 CA THR A 16 8.945 -3.277 1.016 1.00 0.00 C ATOM 137 C THR A 16 8.177 -1.968 0.823 1.00 0.00 C ATOM 138 O THR A 16 8.136 -1.427 -0.281 1.00 0.00 O ATOM 139 CB THR A 16 10.340 -2.995 1.600 1.00 0.00 C ATOM 140 OG1 THR A 16 11.193 -4.121 1.354 1.00 0.00 O ATOM 141 CG2 THR A 16 10.252 -2.771 3.091 1.00 0.00 C ATOM 0 H THR A 16 9.847 -3.691 -0.810 1.00 0.00 H new ATOM 0 HA THR A 16 8.403 -3.909 1.719 1.00 0.00 H new ATOM 0 HB THR A 16 10.743 -2.101 1.125 1.00 0.00 H new ATOM 0 HG1 THR A 16 11.696 -3.975 0.526 1.00 0.00 H new ATOM 0 HG21 THR A 16 11.247 -2.573 3.489 1.00 0.00 H new ATOM 0 HG22 THR A 16 9.604 -1.918 3.293 1.00 0.00 H new ATOM 0 HG23 THR A 16 9.841 -3.660 3.569 1.00 0.00 H new ATOM 149 N CYS A 17 7.570 -1.472 1.890 1.00 0.00 N ATOM 150 CA CYS A 17 6.782 -0.249 1.824 1.00 0.00 C ATOM 151 C CYS A 17 7.624 0.934 1.329 1.00 0.00 C ATOM 152 O CYS A 17 7.249 1.609 0.374 1.00 0.00 O ATOM 153 CB CYS A 17 6.171 0.049 3.184 1.00 0.00 C ATOM 154 SG CYS A 17 5.245 1.601 3.271 1.00 0.00 S ATOM 0 H CYS A 17 7.608 -1.899 2.816 1.00 0.00 H new ATOM 0 HA CYS A 17 5.978 -0.398 1.103 1.00 0.00 H new ATOM 0 HB2 CYS A 17 5.506 -0.771 3.456 1.00 0.00 H new ATOM 0 HB3 CYS A 17 6.967 0.074 3.928 1.00 0.00 H new ATOM 159 N ALA A 18 8.770 1.169 1.977 1.00 0.00 N ATOM 160 CA ALA A 18 9.684 2.237 1.563 1.00 0.00 C ATOM 161 C ALA A 18 10.098 2.089 0.090 1.00 0.00 C ATOM 162 O ALA A 18 10.288 3.083 -0.615 1.00 0.00 O ATOM 163 CB ALA A 18 10.914 2.254 2.460 1.00 0.00 C ATOM 0 H ALA A 18 9.085 0.636 2.787 1.00 0.00 H new ATOM 0 HA ALA A 18 9.156 3.185 1.664 1.00 0.00 H new ATOM 0 HB1 ALA A 18 11.585 3.052 2.142 1.00 0.00 H new ATOM 0 HB2 ALA A 18 10.609 2.426 3.492 1.00 0.00 H new ATOM 0 HB3 ALA A 18 11.430 1.296 2.389 1.00 0.00 H new ATOM 169 N GLU A 19 10.223 0.840 -0.374 1.00 0.00 N ATOM 170 CA GLU A 19 10.603 0.574 -1.762 1.00 0.00 C ATOM 171 C GLU A 19 9.522 1.028 -2.728 1.00 0.00 C ATOM 172 O GLU A 19 9.815 1.425 -3.851 1.00 0.00 O ATOM 173 CB GLU A 19 10.893 -0.902 -1.984 1.00 0.00 C ATOM 174 CG GLU A 19 12.127 -1.410 -1.277 1.00 0.00 C ATOM 175 CD GLU A 19 12.465 -2.821 -1.684 1.00 0.00 C ATOM 176 OE1 GLU A 19 11.904 -3.768 -1.095 1.00 0.00 O ATOM 177 OE2 GLU A 19 13.286 -2.992 -2.605 1.00 0.00 O ATOM 0 H GLU A 19 10.067 0.004 0.189 1.00 0.00 H new ATOM 0 HA GLU A 19 11.511 1.144 -1.956 1.00 0.00 H new ATOM 0 HB2 GLU A 19 10.033 -1.483 -1.650 1.00 0.00 H new ATOM 0 HB3 GLU A 19 11.003 -1.081 -3.054 1.00 0.00 H new ATOM 0 HG2 GLU A 19 12.969 -0.756 -1.501 1.00 0.00 H new ATOM 0 HG3 GLU A 19 11.970 -1.370 -0.199 1.00 0.00 H new ATOM 184 N ALA A 20 8.273 0.962 -2.291 1.00 0.00 N ATOM 185 CA ALA A 20 7.161 1.395 -3.116 1.00 0.00 C ATOM 186 C ALA A 20 7.292 2.880 -3.437 1.00 0.00 C ATOM 187 O ALA A 20 6.998 3.313 -4.548 1.00 0.00 O ATOM 188 CB ALA A 20 5.836 1.110 -2.427 1.00 0.00 C ATOM 0 H ALA A 20 8.007 0.613 -1.370 1.00 0.00 H new ATOM 0 HA ALA A 20 7.183 0.833 -4.050 1.00 0.00 H new ATOM 0 HB1 ALA A 20 5.016 1.443 -3.063 1.00 0.00 H new ATOM 0 HB2 ALA A 20 5.743 0.039 -2.246 1.00 0.00 H new ATOM 0 HB3 ALA A 20 5.798 1.643 -1.477 1.00 0.00 H new ATOM 194 N ASN A 21 7.763 3.648 -2.454 1.00 0.00 N ATOM 195 CA ASN A 21 7.994 5.080 -2.633 1.00 0.00 C ATOM 196 C ASN A 21 9.184 5.277 -3.561 1.00 0.00 C ATOM 197 O ASN A 21 9.160 6.116 -4.459 1.00 0.00 O ATOM 198 CB ASN A 21 8.264 5.753 -1.281 1.00 0.00 C ATOM 199 CG ASN A 21 8.485 7.255 -1.398 1.00 0.00 C ATOM 200 OD1 ASN A 21 7.913 7.922 -2.258 1.00 0.00 O ATOM 201 ND2 ASN A 21 9.318 7.794 -0.526 1.00 0.00 N ATOM 0 H ASN A 21 7.992 3.300 -1.523 1.00 0.00 H new ATOM 0 HA ASN A 21 7.106 5.537 -3.070 1.00 0.00 H new ATOM 0 HB2 ASN A 21 7.423 5.566 -0.614 1.00 0.00 H new ATOM 0 HB3 ASN A 21 9.142 5.297 -0.823 1.00 0.00 H new ATOM 0 HD21 ASN A 21 9.505 8.796 -0.552 1.00 0.00 H new ATOM 0 HD22 ASN A 21 9.774 7.208 0.173 1.00 0.00 H new ATOM 208 N GLU A 22 10.226 4.488 -3.322 1.00 0.00 N ATOM 209 CA GLU A 22 11.416 4.480 -4.167 1.00 0.00 C ATOM 210 C GLU A 22 11.018 4.273 -5.633 1.00 0.00 C ATOM 211 O GLU A 22 11.428 5.029 -6.517 1.00 0.00 O ATOM 212 CB GLU A 22 12.363 3.365 -3.711 1.00 0.00 C ATOM 213 CG GLU A 22 13.571 3.162 -4.605 1.00 0.00 C ATOM 214 CD GLU A 22 14.463 2.043 -4.118 1.00 0.00 C ATOM 215 OE1 GLU A 22 14.220 0.877 -4.480 1.00 0.00 O ATOM 216 OE2 GLU A 22 15.416 2.324 -3.366 1.00 0.00 O ATOM 0 H GLU A 22 10.270 3.837 -2.538 1.00 0.00 H new ATOM 0 HA GLU A 22 11.927 5.439 -4.078 1.00 0.00 H new ATOM 0 HB2 GLU A 22 12.707 3.588 -2.701 1.00 0.00 H new ATOM 0 HB3 GLU A 22 11.805 2.430 -3.658 1.00 0.00 H new ATOM 0 HG2 GLU A 22 13.237 2.942 -5.619 1.00 0.00 H new ATOM 0 HG3 GLU A 22 14.145 4.087 -4.652 1.00 0.00 H new ATOM 223 N MET A 23 10.209 3.249 -5.870 1.00 0.00 N ATOM 224 CA MET A 23 9.710 2.952 -7.202 1.00 0.00 C ATOM 225 C MET A 23 8.836 4.086 -7.727 1.00 0.00 C ATOM 226 O MET A 23 8.981 4.500 -8.859 1.00 0.00 O ATOM 227 CB MET A 23 8.919 1.642 -7.195 1.00 0.00 C ATOM 228 CG MET A 23 9.765 0.410 -6.907 1.00 0.00 C ATOM 229 SD MET A 23 8.772 -1.078 -6.664 1.00 0.00 S ATOM 230 CE MET A 23 7.843 -1.130 -8.193 1.00 0.00 C ATOM 0 H MET A 23 9.883 2.606 -5.148 1.00 0.00 H new ATOM 0 HA MET A 23 10.568 2.846 -7.865 1.00 0.00 H new ATOM 0 HB2 MET A 23 8.129 1.711 -6.447 1.00 0.00 H new ATOM 0 HB3 MET A 23 8.432 1.518 -8.162 1.00 0.00 H new ATOM 0 HG2 MET A 23 10.457 0.249 -7.733 1.00 0.00 H new ATOM 0 HG3 MET A 23 10.368 0.589 -6.017 1.00 0.00 H new ATOM 0 HE1 MET A 23 7.377 -2.109 -8.303 1.00 0.00 H new ATOM 0 HE2 MET A 23 7.071 -0.361 -8.176 1.00 0.00 H new ATOM 0 HE3 MET A 23 8.514 -0.952 -9.033 1.00 0.00 H new ATOM 240 N ALA A 24 7.938 4.581 -6.876 1.00 0.00 N ATOM 241 CA ALA A 24 7.023 5.679 -7.221 1.00 0.00 C ATOM 242 C ALA A 24 7.749 6.869 -7.849 1.00 0.00 C ATOM 243 O ALA A 24 7.212 7.526 -8.735 1.00 0.00 O ATOM 244 CB ALA A 24 6.250 6.131 -5.989 1.00 0.00 C ATOM 0 H ALA A 24 7.821 4.234 -5.924 1.00 0.00 H new ATOM 0 HA ALA A 24 6.328 5.292 -7.967 1.00 0.00 H new ATOM 0 HB1 ALA A 24 5.577 6.944 -6.260 1.00 0.00 H new ATOM 0 HB2 ALA A 24 5.670 5.296 -5.596 1.00 0.00 H new ATOM 0 HB3 ALA A 24 6.949 6.477 -5.228 1.00 0.00 H new ATOM 250 N LYS A 25 8.969 7.127 -7.396 1.00 0.00 N ATOM 251 CA LYS A 25 9.767 8.247 -7.906 1.00 0.00 C ATOM 252 C LYS A 25 10.110 8.082 -9.394 1.00 0.00 C ATOM 253 O LYS A 25 10.492 9.040 -10.062 1.00 0.00 O ATOM 254 CB LYS A 25 11.049 8.402 -7.085 1.00 0.00 C ATOM 255 CG LYS A 25 10.799 8.657 -5.609 1.00 0.00 C ATOM 256 CD LYS A 25 12.098 8.817 -4.839 1.00 0.00 C ATOM 257 CE LYS A 25 11.831 9.029 -3.357 1.00 0.00 C ATOM 258 NZ LYS A 25 13.080 9.281 -2.597 1.00 0.00 N ATOM 0 H LYS A 25 9.434 6.577 -6.674 1.00 0.00 H new ATOM 0 HA LYS A 25 9.162 9.148 -7.807 1.00 0.00 H new ATOM 0 HB2 LYS A 25 11.651 7.499 -7.192 1.00 0.00 H new ATOM 0 HB3 LYS A 25 11.635 9.226 -7.493 1.00 0.00 H new ATOM 0 HG2 LYS A 25 10.194 9.556 -5.492 1.00 0.00 H new ATOM 0 HG3 LYS A 25 10.226 7.830 -5.189 1.00 0.00 H new ATOM 0 HD2 LYS A 25 12.718 7.931 -4.977 1.00 0.00 H new ATOM 0 HD3 LYS A 25 12.658 9.664 -5.236 1.00 0.00 H new ATOM 0 HE2 LYS A 25 11.152 9.872 -3.228 1.00 0.00 H new ATOM 0 HE3 LYS A 25 11.330 8.151 -2.950 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 12.853 9.420 -1.592 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 13.718 8.466 -2.698 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 13.546 10.134 -2.968 1.00 0.00 H new ATOM 272 N THR A 26 9.977 6.870 -9.900 1.00 0.00 N ATOM 273 CA THR A 26 10.255 6.592 -11.300 1.00 0.00 C ATOM 274 C THR A 26 9.033 5.989 -12.002 1.00 0.00 C ATOM 275 O THR A 26 8.786 6.247 -13.184 1.00 0.00 O ATOM 276 CB THR A 26 11.464 5.640 -11.444 1.00 0.00 C ATOM 277 OG1 THR A 26 11.355 4.569 -10.493 1.00 0.00 O ATOM 278 CG2 THR A 26 12.772 6.383 -11.219 1.00 0.00 C ATOM 0 H THR A 26 9.677 6.058 -9.361 1.00 0.00 H new ATOM 0 HA THR A 26 10.494 7.542 -11.778 1.00 0.00 H new ATOM 0 HB THR A 26 11.462 5.238 -12.457 1.00 0.00 H new ATOM 0 HG1 THR A 26 10.451 4.558 -10.115 1.00 0.00 H new ATOM 0 HG21 THR A 26 13.607 5.690 -11.326 1.00 0.00 H new ATOM 0 HG22 THR A 26 12.867 7.183 -11.954 1.00 0.00 H new ATOM 0 HG23 THR A 26 12.780 6.809 -10.216 1.00 0.00 H new ATOM 286 N ASP A 27 8.270 5.198 -11.264 1.00 0.00 N ATOM 287 CA ASP A 27 7.097 4.532 -11.794 1.00 0.00 C ATOM 288 C ASP A 27 5.884 4.732 -10.890 1.00 0.00 C ATOM 289 O ASP A 27 5.397 3.790 -10.263 1.00 0.00 O ATOM 290 CB ASP A 27 7.369 3.041 -11.971 1.00 0.00 C ATOM 291 CG ASP A 27 8.244 2.734 -13.160 1.00 0.00 C ATOM 292 OD1 ASP A 27 7.734 2.786 -14.300 1.00 0.00 O ATOM 293 OD2 ASP A 27 9.439 2.426 -12.965 1.00 0.00 O ATOM 0 H ASP A 27 8.449 5.001 -10.279 1.00 0.00 H new ATOM 0 HA ASP A 27 6.875 4.977 -12.764 1.00 0.00 H new ATOM 0 HB2 ASP A 27 7.844 2.655 -11.069 1.00 0.00 H new ATOM 0 HB3 ASP A 27 6.420 2.516 -12.081 1.00 0.00 H new ATOM 298 N SER A 28 5.417 5.964 -10.818 1.00 0.00 N ATOM 299 CA SER A 28 4.246 6.320 -10.014 1.00 0.00 C ATOM 300 C SER A 28 2.993 5.538 -10.444 1.00 0.00 C ATOM 301 O SER A 28 2.172 5.158 -9.613 1.00 0.00 O ATOM 302 CB SER A 28 3.964 7.818 -10.144 1.00 0.00 C ATOM 303 OG SER A 28 5.132 8.592 -9.915 1.00 0.00 O ATOM 0 H SER A 28 5.834 6.752 -11.313 1.00 0.00 H new ATOM 0 HA SER A 28 4.472 6.062 -8.979 1.00 0.00 H new ATOM 0 HB2 SER A 28 3.576 8.030 -11.140 1.00 0.00 H new ATOM 0 HB3 SER A 28 3.191 8.106 -9.432 1.00 0.00 H new ATOM 0 HG SER A 28 5.763 8.078 -9.369 1.00 0.00 H new ATOM 309 N ALA A 29 2.864 5.299 -11.741 1.00 0.00 N ATOM 310 CA ALA A 29 1.682 4.637 -12.292 1.00 0.00 C ATOM 311 C ALA A 29 1.459 3.229 -11.724 1.00 0.00 C ATOM 312 O ALA A 29 0.408 2.945 -11.151 1.00 0.00 O ATOM 313 CB ALA A 29 1.770 4.591 -13.808 1.00 0.00 C ATOM 0 H ALA A 29 3.565 5.554 -12.437 1.00 0.00 H new ATOM 0 HA ALA A 29 0.818 5.230 -11.991 1.00 0.00 H new ATOM 0 HB1 ALA A 29 0.885 4.096 -14.209 1.00 0.00 H new ATOM 0 HB2 ALA A 29 1.827 5.606 -14.200 1.00 0.00 H new ATOM 0 HB3 ALA A 29 2.661 4.037 -14.104 1.00 0.00 H new ATOM 319 N GLN A 30 2.452 2.362 -11.864 1.00 0.00 N ATOM 320 CA GLN A 30 2.298 0.967 -11.453 1.00 0.00 C ATOM 321 C GLN A 30 2.209 0.800 -9.937 1.00 0.00 C ATOM 322 O GLN A 30 1.554 -0.126 -9.458 1.00 0.00 O ATOM 323 CB GLN A 30 3.414 0.093 -12.016 1.00 0.00 C ATOM 324 CG GLN A 30 4.796 0.536 -11.614 1.00 0.00 C ATOM 325 CD GLN A 30 5.871 -0.411 -12.091 1.00 0.00 C ATOM 326 OE1 GLN A 30 6.237 -1.350 -11.391 1.00 0.00 O ATOM 327 NE2 GLN A 30 6.380 -0.176 -13.284 1.00 0.00 N ATOM 0 H GLN A 30 3.365 2.593 -12.255 1.00 0.00 H new ATOM 0 HA GLN A 30 1.347 0.635 -11.871 1.00 0.00 H new ATOM 0 HB2 GLN A 30 3.261 -0.934 -11.684 1.00 0.00 H new ATOM 0 HB3 GLN A 30 3.346 0.090 -13.104 1.00 0.00 H new ATOM 0 HG2 GLN A 30 4.987 1.530 -12.019 1.00 0.00 H new ATOM 0 HG3 GLN A 30 4.846 0.619 -10.528 1.00 0.00 H new ATOM 0 HE21 GLN A 30 6.047 0.616 -13.834 1.00 0.00 H new ATOM 0 HE22 GLN A 30 7.107 -0.786 -13.658 1.00 0.00 H new ATOM 336 N VAL A 31 2.844 1.692 -9.176 1.00 0.00 N ATOM 337 CA VAL A 31 2.806 1.574 -7.722 1.00 0.00 C ATOM 338 C VAL A 31 1.410 1.878 -7.192 1.00 0.00 C ATOM 339 O VAL A 31 0.966 1.281 -6.223 1.00 0.00 O ATOM 340 CB VAL A 31 3.859 2.461 -7.004 1.00 0.00 C ATOM 341 CG1 VAL A 31 5.263 2.094 -7.450 1.00 0.00 C ATOM 342 CG2 VAL A 31 3.592 3.937 -7.227 1.00 0.00 C ATOM 0 H VAL A 31 3.378 2.485 -9.532 1.00 0.00 H new ATOM 0 HA VAL A 31 3.063 0.539 -7.496 1.00 0.00 H new ATOM 0 HB VAL A 31 3.775 2.271 -5.934 1.00 0.00 H new ATOM 0 HG11 VAL A 31 5.986 2.727 -6.935 1.00 0.00 H new ATOM 0 HG12 VAL A 31 5.460 1.049 -7.209 1.00 0.00 H new ATOM 0 HG13 VAL A 31 5.353 2.242 -8.526 1.00 0.00 H new ATOM 0 HG21 VAL A 31 4.349 4.526 -6.709 1.00 0.00 H new ATOM 0 HG22 VAL A 31 3.628 4.156 -8.294 1.00 0.00 H new ATOM 0 HG23 VAL A 31 2.606 4.191 -6.838 1.00 0.00 H new ATOM 352 N ALA A 32 0.708 2.782 -7.864 1.00 0.00 N ATOM 353 CA ALA A 32 -0.645 3.127 -7.478 1.00 0.00 C ATOM 354 C ALA A 32 -1.594 2.008 -7.878 1.00 0.00 C ATOM 355 O ALA A 32 -2.651 1.821 -7.274 1.00 0.00 O ATOM 356 CB ALA A 32 -1.064 4.442 -8.123 1.00 0.00 C ATOM 0 H ALA A 32 1.058 3.287 -8.678 1.00 0.00 H new ATOM 0 HA ALA A 32 -0.685 3.253 -6.396 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -2.083 4.686 -7.823 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -0.390 5.236 -7.801 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -1.019 4.346 -9.208 1.00 0.00 H new ATOM 362 N GLU A 33 -1.185 1.248 -8.888 1.00 0.00 N ATOM 363 CA GLU A 33 -1.968 0.143 -9.390 1.00 0.00 C ATOM 364 C GLU A 33 -1.907 -1.020 -8.415 1.00 0.00 C ATOM 365 O GLU A 33 -2.930 -1.444 -7.880 1.00 0.00 O ATOM 366 CB GLU A 33 -1.439 -0.295 -10.762 1.00 0.00 C ATOM 367 CG GLU A 33 -2.221 -1.434 -11.404 1.00 0.00 C ATOM 368 CD GLU A 33 -3.595 -1.010 -11.873 1.00 0.00 C ATOM 369 OE1 GLU A 33 -3.696 -0.430 -12.973 1.00 0.00 O ATOM 370 OE2 GLU A 33 -4.581 -1.269 -11.154 1.00 0.00 O ATOM 0 H GLU A 33 -0.300 1.387 -9.376 1.00 0.00 H new ATOM 0 HA GLU A 33 -3.005 0.463 -9.497 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -1.453 0.563 -11.434 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -0.398 -0.600 -10.656 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -1.657 -1.823 -12.251 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -2.322 -2.249 -10.687 1.00 0.00 H new ATOM 377 N ILE A 34 -0.691 -1.517 -8.174 1.00 0.00 N ATOM 378 CA ILE A 34 -0.477 -2.649 -7.271 1.00 0.00 C ATOM 379 C ILE A 34 -1.047 -2.379 -5.870 1.00 0.00 C ATOM 380 O ILE A 34 -1.707 -3.238 -5.288 1.00 0.00 O ATOM 381 CB ILE A 34 1.029 -3.045 -7.184 1.00 0.00 C ATOM 382 CG1 ILE A 34 1.216 -4.207 -6.211 1.00 0.00 C ATOM 383 CG2 ILE A 34 1.892 -1.855 -6.778 1.00 0.00 C ATOM 384 CD1 ILE A 34 2.644 -4.709 -6.114 1.00 0.00 C ATOM 0 H ILE A 34 0.163 -1.151 -8.594 1.00 0.00 H new ATOM 0 HA ILE A 34 -1.021 -3.492 -7.696 1.00 0.00 H new ATOM 0 HB ILE A 34 1.353 -3.364 -8.175 1.00 0.00 H new ATOM 0 HG12 ILE A 34 0.884 -3.895 -5.221 1.00 0.00 H new ATOM 0 HG13 ILE A 34 0.572 -5.031 -6.518 1.00 0.00 H new ATOM 0 HG21 ILE A 34 2.936 -2.164 -6.726 1.00 0.00 H new ATOM 0 HG22 ILE A 34 1.785 -1.059 -7.515 1.00 0.00 H new ATOM 0 HG23 ILE A 34 1.573 -1.490 -5.802 1.00 0.00 H new ATOM 0 HD11 ILE A 34 2.692 -5.534 -5.403 1.00 0.00 H new ATOM 0 HD12 ILE A 34 2.976 -5.054 -7.093 1.00 0.00 H new ATOM 0 HD13 ILE A 34 3.292 -3.900 -5.776 1.00 0.00 H new ATOM 396 N VAL A 35 -0.802 -1.179 -5.352 1.00 0.00 N ATOM 397 CA VAL A 35 -1.327 -0.783 -4.045 1.00 0.00 C ATOM 398 C VAL A 35 -2.855 -0.916 -4.007 1.00 0.00 C ATOM 399 O VAL A 35 -3.430 -1.370 -3.013 1.00 0.00 O ATOM 400 CB VAL A 35 -0.899 0.665 -3.672 1.00 0.00 C ATOM 401 CG1 VAL A 35 -1.726 1.214 -2.520 1.00 0.00 C ATOM 402 CG2 VAL A 35 0.576 0.690 -3.305 1.00 0.00 C ATOM 0 H VAL A 35 -0.243 -0.462 -5.816 1.00 0.00 H new ATOM 0 HA VAL A 35 -0.900 -1.459 -3.304 1.00 0.00 H new ATOM 0 HB VAL A 35 -1.072 1.299 -4.542 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -1.399 2.227 -2.288 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -2.779 1.229 -2.802 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -1.594 0.580 -1.643 1.00 0.00 H new ATOM 0 HG21 VAL A 35 0.869 1.707 -3.045 1.00 0.00 H new ATOM 0 HG22 VAL A 35 0.750 0.033 -2.453 1.00 0.00 H new ATOM 0 HG23 VAL A 35 1.168 0.348 -4.154 1.00 0.00 H new ATOM 412 N ALA A 36 -3.499 -0.558 -5.103 1.00 0.00 N ATOM 413 CA ALA A 36 -4.939 -0.640 -5.191 1.00 0.00 C ATOM 414 C ALA A 36 -5.399 -2.077 -5.434 1.00 0.00 C ATOM 415 O ALA A 36 -6.475 -2.463 -4.988 1.00 0.00 O ATOM 416 CB ALA A 36 -5.460 0.285 -6.280 1.00 0.00 C ATOM 0 H ALA A 36 -3.043 -0.207 -5.945 1.00 0.00 H new ATOM 0 HA ALA A 36 -5.353 -0.317 -4.236 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -6.546 0.210 -6.332 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -5.178 1.312 -6.050 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -5.030 -0.004 -7.239 1.00 0.00 H new ATOM 422 N VAL A 37 -4.578 -2.867 -6.146 1.00 0.00 N ATOM 423 CA VAL A 37 -4.921 -4.263 -6.450 1.00 0.00 C ATOM 424 C VAL A 37 -5.292 -5.037 -5.189 1.00 0.00 C ATOM 425 O VAL A 37 -6.451 -5.415 -5.009 1.00 0.00 O ATOM 426 CB VAL A 37 -3.769 -5.007 -7.190 1.00 0.00 C ATOM 427 CG1 VAL A 37 -4.102 -6.485 -7.365 1.00 0.00 C ATOM 428 CG2 VAL A 37 -3.506 -4.375 -8.546 1.00 0.00 C ATOM 0 H VAL A 37 -3.678 -2.564 -6.519 1.00 0.00 H new ATOM 0 HA VAL A 37 -5.786 -4.222 -7.112 1.00 0.00 H new ATOM 0 HB VAL A 37 -2.870 -4.920 -6.580 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -3.283 -6.983 -7.884 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -4.245 -6.944 -6.387 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -5.017 -6.585 -7.950 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -2.698 -4.909 -9.046 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -4.409 -4.430 -9.154 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -3.222 -3.331 -8.412 1.00 0.00 H new ATOM 438 N MET A 38 -4.328 -5.272 -4.307 1.00 0.00 N ATOM 439 CA MET A 38 -4.621 -5.973 -3.070 1.00 0.00 C ATOM 440 C MET A 38 -5.423 -5.109 -2.133 1.00 0.00 C ATOM 441 O MET A 38 -6.292 -5.600 -1.448 1.00 0.00 O ATOM 442 CB MET A 38 -3.342 -6.437 -2.359 1.00 0.00 C ATOM 443 CG MET A 38 -2.377 -7.224 -3.229 1.00 0.00 C ATOM 444 SD MET A 38 -1.270 -6.159 -4.171 1.00 0.00 S ATOM 445 CE MET A 38 -0.363 -5.367 -2.836 1.00 0.00 C ATOM 0 H MET A 38 -3.354 -4.992 -4.424 1.00 0.00 H new ATOM 0 HA MET A 38 -5.206 -6.852 -3.342 1.00 0.00 H new ATOM 0 HB2 MET A 38 -2.824 -5.562 -1.967 1.00 0.00 H new ATOM 0 HB3 MET A 38 -3.622 -7.052 -1.504 1.00 0.00 H new ATOM 0 HG2 MET A 38 -1.787 -7.890 -2.600 1.00 0.00 H new ATOM 0 HG3 MET A 38 -2.943 -7.853 -3.916 1.00 0.00 H new ATOM 0 HE1 MET A 38 -0.689 -4.331 -2.739 1.00 0.00 H new ATOM 0 HE2 MET A 38 -0.554 -5.896 -1.902 1.00 0.00 H new ATOM 0 HE3 MET A 38 0.704 -5.393 -3.056 1.00 0.00 H new ATOM 455 N GLY A 39 -5.130 -3.814 -2.122 1.00 0.00 N ATOM 456 CA GLY A 39 -5.812 -2.900 -1.220 1.00 0.00 C ATOM 457 C GLY A 39 -7.319 -2.946 -1.354 1.00 0.00 C ATOM 458 O GLY A 39 -8.022 -3.235 -0.388 1.00 0.00 O ATOM 0 H GLY A 39 -4.431 -3.378 -2.723 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -5.537 -3.140 -0.193 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -5.467 -1.884 -1.413 1.00 0.00 H new ATOM 462 N ASN A 40 -7.803 -2.668 -2.551 1.00 0.00 N ATOM 463 CA ASN A 40 -9.239 -2.649 -2.832 1.00 0.00 C ATOM 464 C ASN A 40 -9.900 -3.995 -2.495 1.00 0.00 C ATOM 465 O ASN A 40 -11.010 -4.031 -1.970 1.00 0.00 O ATOM 466 CB ASN A 40 -9.496 -2.252 -4.297 1.00 0.00 C ATOM 467 CG ASN A 40 -9.849 -3.424 -5.201 1.00 0.00 C ATOM 468 OD1 ASN A 40 -11.020 -3.771 -5.358 1.00 0.00 O ATOM 469 ND2 ASN A 40 -8.847 -4.032 -5.791 1.00 0.00 N ATOM 0 H ASN A 40 -7.219 -2.449 -3.358 1.00 0.00 H new ATOM 0 HA ASN A 40 -9.697 -1.898 -2.188 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -10.307 -1.524 -4.329 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -8.608 -1.757 -4.690 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -9.023 -4.825 -6.408 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -7.892 -3.712 -5.633 1.00 0.00 H new ATOM 476 N ALA A 41 -9.210 -5.088 -2.789 1.00 0.00 N ATOM 477 CA ALA A 41 -9.731 -6.413 -2.492 1.00 0.00 C ATOM 478 C ALA A 41 -9.681 -6.685 -0.993 1.00 0.00 C ATOM 479 O ALA A 41 -10.628 -7.209 -0.412 1.00 0.00 O ATOM 480 CB ALA A 41 -8.950 -7.470 -3.257 1.00 0.00 C ATOM 0 H ALA A 41 -8.291 -5.083 -3.232 1.00 0.00 H new ATOM 0 HA ALA A 41 -10.773 -6.456 -2.810 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -9.350 -8.457 -3.025 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -9.039 -7.284 -4.327 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -7.900 -7.427 -2.967 1.00 0.00 H new ATOM 486 N SER A 42 -8.573 -6.311 -0.380 1.00 0.00 N ATOM 487 CA SER A 42 -8.365 -6.495 1.043 1.00 0.00 C ATOM 488 C SER A 42 -9.434 -5.760 1.844 1.00 0.00 C ATOM 489 O SER A 42 -10.125 -6.365 2.671 1.00 0.00 O ATOM 490 CB SER A 42 -6.964 -6.006 1.441 1.00 0.00 C ATOM 491 OG SER A 42 -6.695 -6.255 2.805 1.00 0.00 O ATOM 0 H SER A 42 -7.788 -5.869 -0.859 1.00 0.00 H new ATOM 0 HA SER A 42 -8.442 -7.559 1.269 1.00 0.00 H new ATOM 0 HB2 SER A 42 -6.215 -6.504 0.825 1.00 0.00 H new ATOM 0 HB3 SER A 42 -6.881 -4.938 1.242 1.00 0.00 H new ATOM 0 HG SER A 42 -5.796 -5.934 3.025 1.00 0.00 H new ATOM 497 N VAL A 43 -9.586 -4.457 1.600 1.00 0.00 N ATOM 498 CA VAL A 43 -10.584 -3.673 2.313 1.00 0.00 C ATOM 499 C VAL A 43 -11.987 -4.221 2.087 1.00 0.00 C ATOM 500 O VAL A 43 -12.803 -4.239 3.000 1.00 0.00 O ATOM 501 CB VAL A 43 -10.530 -2.162 1.957 1.00 0.00 C ATOM 502 CG1 VAL A 43 -9.205 -1.557 2.394 1.00 0.00 C ATOM 503 CG2 VAL A 43 -10.748 -1.938 0.472 1.00 0.00 C ATOM 0 H VAL A 43 -9.035 -3.931 0.921 1.00 0.00 H new ATOM 0 HA VAL A 43 -10.339 -3.764 3.371 1.00 0.00 H new ATOM 0 HB VAL A 43 -11.337 -1.664 2.495 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -9.186 -0.498 2.136 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -9.091 -1.670 3.472 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -8.387 -2.069 1.887 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -10.704 -0.871 0.255 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -9.972 -2.455 -0.092 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -11.725 -2.327 0.185 1.00 0.00 H new ATOM 513 N ALA A 44 -12.253 -4.708 0.884 1.00 0.00 N ATOM 514 CA ALA A 44 -13.547 -5.287 0.567 1.00 0.00 C ATOM 515 C ALA A 44 -13.762 -6.605 1.311 1.00 0.00 C ATOM 516 O ALA A 44 -14.884 -7.084 1.423 1.00 0.00 O ATOM 517 CB ALA A 44 -13.666 -5.504 -0.933 1.00 0.00 C ATOM 0 H ALA A 44 -11.588 -4.713 0.111 1.00 0.00 H new ATOM 0 HA ALA A 44 -14.320 -4.590 0.891 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -14.639 -5.938 -1.162 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -13.565 -4.549 -1.448 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -12.879 -6.181 -1.266 1.00 0.00 H new ATOM 523 N SER A 45 -12.687 -7.176 1.827 1.00 0.00 N ATOM 524 CA SER A 45 -12.763 -8.450 2.516 1.00 0.00 C ATOM 525 C SER A 45 -13.124 -8.286 3.996 1.00 0.00 C ATOM 526 O SER A 45 -13.698 -9.191 4.600 1.00 0.00 O ATOM 527 CB SER A 45 -11.444 -9.211 2.373 1.00 0.00 C ATOM 528 OG SER A 45 -11.101 -9.386 1.004 1.00 0.00 O ATOM 0 H SER A 45 -11.750 -6.775 1.781 1.00 0.00 H new ATOM 0 HA SER A 45 -13.563 -9.024 2.048 1.00 0.00 H new ATOM 0 HB2 SER A 45 -10.649 -8.667 2.884 1.00 0.00 H new ATOM 0 HB3 SER A 45 -11.527 -10.184 2.858 1.00 0.00 H new ATOM 0 HG SER A 45 -10.906 -8.514 0.602 1.00 0.00 H new ATOM 534 N ARG A 46 -12.802 -7.134 4.584 1.00 0.00 N ATOM 535 CA ARG A 46 -13.078 -6.943 6.014 1.00 0.00 C ATOM 536 C ARG A 46 -14.047 -5.795 6.256 1.00 0.00 C ATOM 537 O ARG A 46 -14.728 -5.754 7.274 1.00 0.00 O ATOM 538 CB ARG A 46 -11.773 -6.713 6.782 1.00 0.00 C ATOM 539 CG ARG A 46 -10.821 -7.899 6.729 1.00 0.00 C ATOM 540 CD ARG A 46 -9.507 -7.589 7.422 1.00 0.00 C ATOM 541 NE ARG A 46 -8.570 -8.710 7.341 1.00 0.00 N ATOM 542 CZ ARG A 46 -7.271 -8.599 7.034 1.00 0.00 C ATOM 543 NH1 ARG A 46 -6.743 -7.410 6.755 1.00 0.00 N ATOM 544 NH2 ARG A 46 -6.504 -9.679 7.010 1.00 0.00 N ATOM 0 H ARG A 46 -12.364 -6.341 4.115 1.00 0.00 H new ATOM 0 HA ARG A 46 -13.552 -7.853 6.382 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -11.271 -5.835 6.375 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -12.007 -6.492 7.823 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -11.288 -8.763 7.202 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -10.631 -8.168 5.690 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -9.057 -6.706 6.968 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -9.696 -7.349 8.468 1.00 0.00 H new ATOM 0 HE ARG A 46 -8.933 -9.644 7.532 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -7.328 -6.575 6.774 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -5.753 -7.334 6.522 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -6.903 -10.593 7.225 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -5.515 -9.597 6.776 1.00 0.00 H new ATOM 558 N ASP A 47 -14.105 -4.873 5.322 1.00 0.00 N ATOM 559 CA ASP A 47 -15.050 -3.783 5.399 1.00 0.00 C ATOM 560 C ASP A 47 -16.294 -4.135 4.615 1.00 0.00 C ATOM 561 O ASP A 47 -17.414 -3.951 5.093 1.00 0.00 O ATOM 562 CB ASP A 47 -14.431 -2.496 4.868 1.00 0.00 C ATOM 563 CG ASP A 47 -15.365 -1.326 4.986 1.00 0.00 C ATOM 564 OD1 ASP A 47 -15.632 -0.886 6.122 1.00 0.00 O ATOM 565 OD2 ASP A 47 -15.847 -0.855 3.960 1.00 0.00 O ATOM 0 H ASP A 47 -13.506 -4.857 4.497 1.00 0.00 H new ATOM 0 HA ASP A 47 -15.319 -3.621 6.443 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -13.514 -2.283 5.417 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -14.153 -2.633 3.823 1.00 0.00 H new ATOM 570 N LEU A 48 -16.079 -4.628 3.389 1.00 0.00 N ATOM 571 CA LEU A 48 -17.153 -5.121 2.509 1.00 0.00 C ATOM 572 C LEU A 48 -18.048 -3.993 1.962 1.00 0.00 C ATOM 573 O LEU A 48 -18.724 -4.167 0.949 1.00 0.00 O ATOM 574 CB LEU A 48 -17.995 -6.182 3.246 1.00 0.00 C ATOM 575 CG LEU A 48 -19.097 -6.865 2.439 1.00 0.00 C ATOM 576 CD1 LEU A 48 -18.508 -7.662 1.282 1.00 0.00 C ATOM 577 CD2 LEU A 48 -19.924 -7.765 3.343 1.00 0.00 C ATOM 0 H LEU A 48 -15.150 -4.698 2.974 1.00 0.00 H new ATOM 0 HA LEU A 48 -16.674 -5.577 1.643 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -17.320 -6.952 3.620 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -18.453 -5.710 4.115 1.00 0.00 H new ATOM 0 HG LEU A 48 -19.746 -6.096 2.020 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -19.312 -8.139 0.722 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -17.955 -6.992 0.623 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -17.835 -8.425 1.672 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -20.707 -8.247 2.758 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -19.281 -8.526 3.786 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -20.378 -7.168 4.134 1.00 0.00 H new ATOM 589 N LYS A 49 -18.028 -2.842 2.607 1.00 0.00 N ATOM 590 CA LYS A 49 -18.857 -1.725 2.190 1.00 0.00 C ATOM 591 C LYS A 49 -17.998 -0.634 1.568 1.00 0.00 C ATOM 592 O LYS A 49 -18.432 0.515 1.412 1.00 0.00 O ATOM 593 CB LYS A 49 -19.661 -1.185 3.385 1.00 0.00 C ATOM 594 CG LYS A 49 -18.838 -0.445 4.428 1.00 0.00 C ATOM 595 CD LYS A 49 -19.547 -0.421 5.768 1.00 0.00 C ATOM 596 CE LYS A 49 -19.309 -1.712 6.537 1.00 0.00 C ATOM 597 NZ LYS A 49 -17.984 -1.724 7.195 1.00 0.00 N ATOM 0 H LYS A 49 -17.446 -2.655 3.423 1.00 0.00 H new ATOM 0 HA LYS A 49 -19.563 -2.070 1.435 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -20.434 -0.514 3.011 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -20.169 -2.019 3.869 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -17.866 -0.926 4.536 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -18.653 0.576 4.093 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -19.193 0.426 6.355 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -20.617 -0.277 5.614 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -20.089 -1.836 7.288 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -19.384 -2.560 5.856 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -17.713 -2.704 7.413 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -17.277 -1.303 6.559 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -18.029 -1.173 8.076 1.00 0.00 H new ATOM 611 N ILE A 50 -16.776 -1.007 1.208 1.00 0.00 N ATOM 612 CA ILE A 50 -15.840 -0.093 0.585 1.00 0.00 C ATOM 613 C ILE A 50 -16.406 0.412 -0.750 1.00 0.00 C ATOM 614 O ILE A 50 -17.131 -0.309 -1.450 1.00 0.00 O ATOM 615 CB ILE A 50 -14.444 -0.761 0.358 1.00 0.00 C ATOM 616 CG1 ILE A 50 -13.430 0.255 -0.188 1.00 0.00 C ATOM 617 CG2 ILE A 50 -14.563 -1.951 -0.584 1.00 0.00 C ATOM 618 CD1 ILE A 50 -13.111 1.382 0.774 1.00 0.00 C ATOM 0 H ILE A 50 -16.411 -1.950 1.341 1.00 0.00 H new ATOM 0 HA ILE A 50 -15.699 0.750 1.261 1.00 0.00 H new ATOM 0 HB ILE A 50 -14.083 -1.118 1.322 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -12.507 -0.267 -0.439 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -13.818 0.680 -1.114 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -13.581 -2.401 -0.728 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -15.240 -2.689 -0.154 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -14.953 -1.617 -1.545 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -12.388 2.057 0.316 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -14.024 1.931 1.007 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -12.692 0.969 1.692 1.00 0.00 H new ATOM 630 N GLU A 51 -16.083 1.634 -1.092 1.00 0.00 N ATOM 631 CA GLU A 51 -16.589 2.247 -2.293 1.00 0.00 C ATOM 632 C GLU A 51 -15.424 2.706 -3.162 1.00 0.00 C ATOM 633 O GLU A 51 -14.271 2.684 -2.718 1.00 0.00 O ATOM 634 CB GLU A 51 -17.485 3.429 -1.915 1.00 0.00 C ATOM 635 CG GLU A 51 -18.280 4.014 -3.063 1.00 0.00 C ATOM 636 CD GLU A 51 -19.100 5.199 -2.637 1.00 0.00 C ATOM 637 OE1 GLU A 51 -18.572 6.325 -2.669 1.00 0.00 O ATOM 638 OE2 GLU A 51 -20.273 5.008 -2.257 1.00 0.00 O ATOM 0 H GLU A 51 -15.462 2.231 -0.546 1.00 0.00 H new ATOM 0 HA GLU A 51 -17.178 1.527 -2.861 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -18.178 3.108 -1.138 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -16.864 4.214 -1.484 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -17.599 4.313 -3.860 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -18.937 3.248 -3.476 1.00 0.00 H new ATOM 645 N GLN A 52 -15.721 3.103 -4.398 1.00 0.00 N ATOM 646 CA GLN A 52 -14.703 3.594 -5.315 1.00 0.00 C ATOM 647 C GLN A 52 -13.936 4.739 -4.681 1.00 0.00 C ATOM 648 O GLN A 52 -14.515 5.766 -4.312 1.00 0.00 O ATOM 649 CB GLN A 52 -15.331 4.048 -6.631 1.00 0.00 C ATOM 650 CG GLN A 52 -16.133 2.969 -7.332 1.00 0.00 C ATOM 651 CD GLN A 52 -16.600 3.395 -8.709 1.00 0.00 C ATOM 652 OE1 GLN A 52 -16.818 4.580 -8.969 1.00 0.00 O ATOM 653 NE2 GLN A 52 -16.756 2.437 -9.594 1.00 0.00 N ATOM 0 H GLN A 52 -16.664 3.093 -4.786 1.00 0.00 H new ATOM 0 HA GLN A 52 -14.012 2.778 -5.528 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -15.980 4.902 -6.437 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -14.542 4.393 -7.299 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -15.525 2.069 -7.421 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -16.999 2.710 -6.722 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -16.564 1.469 -9.337 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -17.069 2.661 -10.539 1.00 0.00 H new ATOM 662 N SER A 53 -12.645 4.555 -4.554 1.00 0.00 N ATOM 663 CA SER A 53 -11.796 5.525 -3.919 1.00 0.00 C ATOM 664 C SER A 53 -10.622 5.873 -4.841 1.00 0.00 C ATOM 665 O SER A 53 -9.614 5.165 -4.879 1.00 0.00 O ATOM 666 CB SER A 53 -11.306 4.963 -2.589 1.00 0.00 C ATOM 667 OG SER A 53 -12.396 4.472 -1.816 1.00 0.00 O ATOM 0 H SER A 53 -12.155 3.726 -4.890 1.00 0.00 H new ATOM 0 HA SER A 53 -12.353 6.442 -3.727 1.00 0.00 H new ATOM 0 HB2 SER A 53 -10.591 4.160 -2.769 1.00 0.00 H new ATOM 0 HB3 SER A 53 -10.780 5.739 -2.033 1.00 0.00 H new ATOM 0 HG SER A 53 -12.830 3.735 -2.294 1.00 0.00 H new ATOM 673 N PRO A 54 -10.758 6.966 -5.609 1.00 0.00 N ATOM 674 CA PRO A 54 -9.763 7.383 -6.611 1.00 0.00 C ATOM 675 C PRO A 54 -8.393 7.751 -6.026 1.00 0.00 C ATOM 676 O PRO A 54 -7.370 7.216 -6.448 1.00 0.00 O ATOM 677 CB PRO A 54 -10.402 8.619 -7.265 1.00 0.00 C ATOM 678 CG PRO A 54 -11.849 8.548 -6.909 1.00 0.00 C ATOM 679 CD PRO A 54 -11.911 7.882 -5.573 1.00 0.00 C ATOM 0 HA PRO A 54 -9.549 6.563 -7.297 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -9.950 9.539 -6.893 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -10.262 8.609 -8.346 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -12.291 9.544 -6.870 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -12.407 7.981 -7.654 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -11.830 8.602 -4.758 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -12.849 7.345 -5.432 1.00 0.00 H new ATOM 687 N GLU A 55 -8.377 8.649 -5.053 1.00 0.00 N ATOM 688 CA GLU A 55 -7.113 9.154 -4.512 1.00 0.00 C ATOM 689 C GLU A 55 -6.677 8.409 -3.261 1.00 0.00 C ATOM 690 O GLU A 55 -5.589 8.648 -2.736 1.00 0.00 O ATOM 691 CB GLU A 55 -7.230 10.642 -4.208 1.00 0.00 C ATOM 692 CG GLU A 55 -7.595 11.484 -5.415 1.00 0.00 C ATOM 693 CD GLU A 55 -6.521 11.478 -6.472 1.00 0.00 C ATOM 694 OE1 GLU A 55 -5.625 12.335 -6.411 1.00 0.00 O ATOM 695 OE2 GLU A 55 -6.567 10.617 -7.372 1.00 0.00 O ATOM 0 H GLU A 55 -9.213 9.043 -4.622 1.00 0.00 H new ATOM 0 HA GLU A 55 -6.351 8.988 -5.274 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -7.983 10.787 -3.434 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -6.283 10.996 -3.802 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -8.525 11.112 -5.845 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -7.779 12.510 -5.096 1.00 0.00 H new ATOM 702 N LEU A 56 -7.511 7.505 -2.788 1.00 0.00 N ATOM 703 CA LEU A 56 -7.198 6.762 -1.574 1.00 0.00 C ATOM 704 C LEU A 56 -6.013 5.829 -1.777 1.00 0.00 C ATOM 705 O LEU A 56 -5.237 5.608 -0.856 1.00 0.00 O ATOM 706 CB LEU A 56 -8.416 5.995 -1.055 1.00 0.00 C ATOM 707 CG LEU A 56 -9.430 6.806 -0.211 1.00 0.00 C ATOM 708 CD1 LEU A 56 -8.792 7.281 1.085 1.00 0.00 C ATOM 709 CD2 LEU A 56 -9.984 7.995 -0.993 1.00 0.00 C ATOM 0 H LEU A 56 -8.404 7.265 -3.218 1.00 0.00 H new ATOM 0 HA LEU A 56 -6.917 7.493 -0.816 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -8.944 5.572 -1.910 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -8.062 5.158 -0.453 1.00 0.00 H new ATOM 0 HG LEU A 56 -10.262 6.143 0.028 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -9.521 7.849 1.663 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -8.461 6.419 1.665 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -7.936 7.916 0.858 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -10.692 8.542 -0.370 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -9.166 8.656 -1.278 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -10.490 7.637 -1.890 1.00 0.00 H new ATOM 721 N SER A 57 -5.863 5.301 -2.988 1.00 0.00 N ATOM 722 CA SER A 57 -4.739 4.433 -3.301 1.00 0.00 C ATOM 723 C SER A 57 -3.430 5.205 -3.145 1.00 0.00 C ATOM 724 O SER A 57 -2.529 4.787 -2.418 1.00 0.00 O ATOM 725 CB SER A 57 -4.884 3.889 -4.723 1.00 0.00 C ATOM 726 OG SER A 57 -5.182 4.937 -5.634 1.00 0.00 O ATOM 0 H SER A 57 -6.505 5.460 -3.765 1.00 0.00 H new ATOM 0 HA SER A 57 -4.727 3.590 -2.610 1.00 0.00 H new ATOM 0 HB2 SER A 57 -3.962 3.391 -5.023 1.00 0.00 H new ATOM 0 HB3 SER A 57 -5.675 3.139 -4.752 1.00 0.00 H new ATOM 0 HG SER A 57 -5.269 4.569 -6.538 1.00 0.00 H new ATOM 732 N ALA A 58 -3.336 6.329 -3.857 1.00 0.00 N ATOM 733 CA ALA A 58 -2.196 7.242 -3.744 1.00 0.00 C ATOM 734 C ALA A 58 -1.905 7.614 -2.281 1.00 0.00 C ATOM 735 O ALA A 58 -0.768 7.869 -1.915 1.00 0.00 O ATOM 736 CB ALA A 58 -2.444 8.497 -4.568 1.00 0.00 C ATOM 0 H ALA A 58 -4.044 6.632 -4.526 1.00 0.00 H new ATOM 0 HA ALA A 58 -1.319 6.725 -4.132 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -1.590 9.168 -4.476 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -2.580 8.224 -5.615 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -3.340 9.000 -4.205 1.00 0.00 H new ATOM 742 N LYS A 59 -2.935 7.614 -1.454 1.00 0.00 N ATOM 743 CA LYS A 59 -2.779 7.941 -0.043 1.00 0.00 C ATOM 744 C LYS A 59 -2.060 6.801 0.691 1.00 0.00 C ATOM 745 O LYS A 59 -1.140 7.037 1.477 1.00 0.00 O ATOM 746 CB LYS A 59 -4.147 8.213 0.591 1.00 0.00 C ATOM 747 CG LYS A 59 -4.093 8.593 2.060 1.00 0.00 C ATOM 748 CD LYS A 59 -5.485 8.882 2.600 1.00 0.00 C ATOM 749 CE LYS A 59 -5.445 9.259 4.069 1.00 0.00 C ATOM 750 NZ LYS A 59 -6.788 9.620 4.581 1.00 0.00 N ATOM 0 H LYS A 59 -3.891 7.391 -1.733 1.00 0.00 H new ATOM 0 HA LYS A 59 -2.172 8.842 0.044 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -4.637 9.015 0.039 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -4.768 7.324 0.481 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -3.638 7.784 2.632 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -3.460 9.471 2.189 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -5.937 9.692 2.028 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -6.118 8.005 2.466 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -5.047 8.425 4.648 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -4.764 10.098 4.210 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -6.720 9.871 5.588 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -7.157 10.432 4.046 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -7.431 8.810 4.469 1.00 0.00 H new ATOM 764 N VAL A 60 -2.491 5.573 0.415 1.00 0.00 N ATOM 765 CA VAL A 60 -1.897 4.357 1.014 1.00 0.00 C ATOM 766 C VAL A 60 -0.385 4.242 0.717 1.00 0.00 C ATOM 767 O VAL A 60 0.358 3.616 1.467 1.00 0.00 O ATOM 768 CB VAL A 60 -2.608 3.071 0.504 1.00 0.00 C ATOM 769 CG1 VAL A 60 -2.090 1.838 1.228 1.00 0.00 C ATOM 770 CG2 VAL A 60 -4.114 3.178 0.656 1.00 0.00 C ATOM 0 H VAL A 60 -3.260 5.381 -0.227 1.00 0.00 H new ATOM 0 HA VAL A 60 -2.037 4.450 2.091 1.00 0.00 H new ATOM 0 HB VAL A 60 -2.379 2.969 -0.557 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -2.604 0.953 0.852 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -1.019 1.737 1.054 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -2.276 1.939 2.297 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -4.582 2.264 0.291 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -4.364 3.319 1.707 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -4.478 4.028 0.079 1.00 0.00 H new ATOM 780 N VAL A 61 0.061 4.878 -0.349 1.00 0.00 N ATOM 781 CA VAL A 61 1.466 4.783 -0.744 1.00 0.00 C ATOM 782 C VAL A 61 2.239 6.049 -0.346 1.00 0.00 C ATOM 783 O VAL A 61 3.423 5.998 -0.012 1.00 0.00 O ATOM 784 CB VAL A 61 1.630 4.490 -2.271 1.00 0.00 C ATOM 785 CG1 VAL A 61 1.097 5.630 -3.123 1.00 0.00 C ATOM 786 CG2 VAL A 61 3.083 4.187 -2.617 1.00 0.00 C ATOM 0 H VAL A 61 -0.516 5.461 -0.955 1.00 0.00 H new ATOM 0 HA VAL A 61 1.891 3.937 -0.204 1.00 0.00 H new ATOM 0 HB VAL A 61 1.034 3.606 -2.497 1.00 0.00 H new ATOM 0 HG11 VAL A 61 1.229 5.389 -4.178 1.00 0.00 H new ATOM 0 HG12 VAL A 61 0.037 5.776 -2.914 1.00 0.00 H new ATOM 0 HG13 VAL A 61 1.642 6.545 -2.889 1.00 0.00 H new ATOM 0 HG21 VAL A 61 3.169 3.987 -3.685 1.00 0.00 H new ATOM 0 HG22 VAL A 61 3.705 5.044 -2.357 1.00 0.00 H new ATOM 0 HG23 VAL A 61 3.416 3.314 -2.056 1.00 0.00 H new ATOM 796 N GLU A 62 1.552 7.174 -0.368 1.00 0.00 N ATOM 797 CA GLU A 62 2.164 8.447 -0.053 1.00 0.00 C ATOM 798 C GLU A 62 2.251 8.675 1.447 1.00 0.00 C ATOM 799 O GLU A 62 3.324 8.974 1.982 1.00 0.00 O ATOM 800 CB GLU A 62 1.389 9.585 -0.707 1.00 0.00 C ATOM 801 CG GLU A 62 1.937 10.962 -0.397 1.00 0.00 C ATOM 802 CD GLU A 62 1.088 12.058 -0.976 1.00 0.00 C ATOM 803 OE1 GLU A 62 0.077 12.427 -0.352 1.00 0.00 O ATOM 804 OE2 GLU A 62 1.431 12.574 -2.055 1.00 0.00 O ATOM 0 H GLU A 62 0.561 7.231 -0.603 1.00 0.00 H new ATOM 0 HA GLU A 62 3.180 8.427 -0.448 1.00 0.00 H new ATOM 0 HB2 GLU A 62 1.392 9.439 -1.787 1.00 0.00 H new ATOM 0 HB3 GLU A 62 0.350 9.537 -0.382 1.00 0.00 H new ATOM 0 HG2 GLU A 62 2.003 11.089 0.684 1.00 0.00 H new ATOM 0 HG3 GLU A 62 2.950 11.044 -0.790 1.00 0.00 H new ATOM 811 N LYS A 63 1.133 8.504 2.126 1.00 0.00 N ATOM 812 CA LYS A 63 1.059 8.814 3.531 1.00 0.00 C ATOM 813 C LYS A 63 1.632 7.692 4.393 1.00 0.00 C ATOM 814 O LYS A 63 2.599 7.894 5.097 1.00 0.00 O ATOM 815 CB LYS A 63 -0.389 9.111 3.914 1.00 0.00 C ATOM 816 CG LYS A 63 -0.565 9.572 5.339 1.00 0.00 C ATOM 817 CD LYS A 63 -2.008 9.947 5.624 1.00 0.00 C ATOM 818 CE LYS A 63 -2.189 10.404 7.060 1.00 0.00 C ATOM 819 NZ LYS A 63 -1.403 11.629 7.364 1.00 0.00 N ATOM 0 H LYS A 63 0.265 8.151 1.722 1.00 0.00 H new ATOM 0 HA LYS A 63 1.669 9.698 3.718 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -0.781 9.876 3.244 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -0.987 8.213 3.757 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -0.251 8.781 6.020 1.00 0.00 H new ATOM 0 HG3 LYS A 63 0.080 10.430 5.528 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -2.320 10.741 4.946 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -2.653 9.090 5.429 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -3.245 10.597 7.248 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -1.886 9.603 7.735 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -1.720 12.029 8.270 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -0.393 11.387 7.427 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -1.545 12.329 6.608 1.00 0.00 H new ATOM 833 N LEU A 64 1.012 6.516 4.328 1.00 0.00 N ATOM 834 CA LEU A 64 1.451 5.325 5.110 1.00 0.00 C ATOM 835 C LEU A 64 2.972 5.088 5.091 1.00 0.00 C ATOM 836 O LEU A 64 3.531 4.565 6.055 1.00 0.00 O ATOM 837 CB LEU A 64 0.702 4.060 4.662 1.00 0.00 C ATOM 838 CG LEU A 64 -0.680 3.838 5.291 1.00 0.00 C ATOM 839 CD1 LEU A 64 -0.552 3.533 6.777 1.00 0.00 C ATOM 840 CD2 LEU A 64 -1.587 5.044 5.071 1.00 0.00 C ATOM 0 H LEU A 64 0.195 6.345 3.741 1.00 0.00 H new ATOM 0 HA LEU A 64 1.193 5.548 6.145 1.00 0.00 H new ATOM 0 HB2 LEU A 64 0.585 4.096 3.579 1.00 0.00 H new ATOM 0 HB3 LEU A 64 1.325 3.194 4.887 1.00 0.00 H new ATOM 0 HG LEU A 64 -1.135 2.979 4.798 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -1.543 3.379 7.204 1.00 0.00 H new ATOM 0 HD12 LEU A 64 0.046 2.632 6.913 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -0.067 4.370 7.280 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -2.559 4.857 5.528 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -1.136 5.926 5.526 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -1.715 5.213 4.002 1.00 0.00 H new ATOM 852 N ASN A 65 3.637 5.513 4.019 1.00 0.00 N ATOM 853 CA ASN A 65 5.098 5.352 3.876 1.00 0.00 C ATOM 854 C ASN A 65 5.852 6.164 4.944 1.00 0.00 C ATOM 855 O ASN A 65 7.049 5.985 5.150 1.00 0.00 O ATOM 856 CB ASN A 65 5.540 5.763 2.458 1.00 0.00 C ATOM 857 CG ASN A 65 7.050 5.706 2.248 1.00 0.00 C ATOM 858 OD1 ASN A 65 7.607 4.657 1.935 1.00 0.00 O ATOM 859 ND2 ASN A 65 7.713 6.844 2.390 1.00 0.00 N ATOM 0 H ASN A 65 3.191 5.976 3.227 1.00 0.00 H new ATOM 0 HA ASN A 65 5.345 4.301 4.026 1.00 0.00 H new ATOM 0 HB2 ASN A 65 5.056 5.110 1.732 1.00 0.00 H new ATOM 0 HB3 ASN A 65 5.192 6.776 2.257 1.00 0.00 H new ATOM 0 HD21 ASN A 65 8.721 6.869 2.238 1.00 0.00 H new ATOM 0 HD22 ASN A 65 7.215 7.695 2.651 1.00 0.00 H new ATOM 866 N GLN A 66 5.123 7.016 5.641 1.00 0.00 N ATOM 867 CA GLN A 66 5.698 7.828 6.697 1.00 0.00 C ATOM 868 C GLN A 66 6.121 6.907 7.834 1.00 0.00 C ATOM 869 O GLN A 66 7.178 7.079 8.437 1.00 0.00 O ATOM 870 CB GLN A 66 4.682 8.876 7.191 1.00 0.00 C ATOM 871 CG GLN A 66 3.516 8.289 7.974 1.00 0.00 C ATOM 872 CD GLN A 66 2.273 9.133 7.904 1.00 0.00 C ATOM 873 OE1 GLN A 66 2.336 10.352 7.782 1.00 0.00 O ATOM 874 NE2 GLN A 66 1.130 8.483 7.974 1.00 0.00 N ATOM 0 H GLN A 66 4.125 7.164 5.493 1.00 0.00 H new ATOM 0 HA GLN A 66 6.566 8.368 6.319 1.00 0.00 H new ATOM 0 HB2 GLN A 66 5.200 9.601 7.819 1.00 0.00 H new ATOM 0 HB3 GLN A 66 4.291 9.421 6.332 1.00 0.00 H new ATOM 0 HG2 GLN A 66 3.294 7.293 7.591 1.00 0.00 H new ATOM 0 HG3 GLN A 66 3.809 8.171 9.017 1.00 0.00 H new ATOM 0 HE21 GLN A 66 1.126 7.468 8.075 1.00 0.00 H new ATOM 0 HE22 GLN A 66 0.249 8.994 7.927 1.00 0.00 H new ATOM 883 N VAL A 67 5.278 5.913 8.106 1.00 0.00 N ATOM 884 CA VAL A 67 5.557 4.924 9.112 1.00 0.00 C ATOM 885 C VAL A 67 6.688 4.032 8.653 1.00 0.00 C ATOM 886 O VAL A 67 7.605 3.767 9.402 1.00 0.00 O ATOM 887 CB VAL A 67 4.319 4.058 9.432 1.00 0.00 C ATOM 888 CG1 VAL A 67 4.574 3.190 10.655 1.00 0.00 C ATOM 889 CG2 VAL A 67 3.091 4.929 9.637 1.00 0.00 C ATOM 0 H VAL A 67 4.386 5.782 7.628 1.00 0.00 H new ATOM 0 HA VAL A 67 5.840 5.453 10.022 1.00 0.00 H new ATOM 0 HB VAL A 67 4.132 3.403 8.581 1.00 0.00 H new ATOM 0 HG11 VAL A 67 3.690 2.587 10.864 1.00 0.00 H new ATOM 0 HG12 VAL A 67 5.424 2.534 10.465 1.00 0.00 H new ATOM 0 HG13 VAL A 67 4.791 3.826 11.513 1.00 0.00 H new ATOM 0 HG21 VAL A 67 2.231 4.298 9.861 1.00 0.00 H new ATOM 0 HG22 VAL A 67 3.265 5.614 10.467 1.00 0.00 H new ATOM 0 HG23 VAL A 67 2.895 5.501 8.730 1.00 0.00 H new ATOM 899 N CYS A 68 6.618 3.573 7.404 1.00 0.00 N ATOM 900 CA CYS A 68 7.661 2.733 6.808 1.00 0.00 C ATOM 901 C CYS A 68 9.019 3.439 6.793 1.00 0.00 C ATOM 902 O CYS A 68 10.065 2.796 6.754 1.00 0.00 O ATOM 903 CB CYS A 68 7.250 2.394 5.389 1.00 0.00 C ATOM 904 SG CYS A 68 5.457 2.139 5.203 1.00 0.00 S ATOM 0 H CYS A 68 5.839 3.771 6.776 1.00 0.00 H new ATOM 0 HA CYS A 68 7.767 1.830 7.409 1.00 0.00 H new ATOM 0 HB2 CYS A 68 7.567 3.197 4.724 1.00 0.00 H new ATOM 0 HB3 CYS A 68 7.774 1.492 5.072 1.00 0.00 H new ATOM 909 N ALA A 69 8.987 4.757 6.832 1.00 0.00 N ATOM 910 CA ALA A 69 10.209 5.549 6.872 1.00 0.00 C ATOM 911 C ALA A 69 10.797 5.512 8.280 1.00 0.00 C ATOM 912 O ALA A 69 11.970 5.812 8.493 1.00 0.00 O ATOM 913 CB ALA A 69 9.931 6.982 6.448 1.00 0.00 C ATOM 0 H ALA A 69 8.128 5.306 6.837 1.00 0.00 H new ATOM 0 HA ALA A 69 10.930 5.124 6.174 1.00 0.00 H new ATOM 0 HB1 ALA A 69 10.856 7.558 6.484 1.00 0.00 H new ATOM 0 HB2 ALA A 69 9.538 6.991 5.432 1.00 0.00 H new ATOM 0 HB3 ALA A 69 9.200 7.426 7.124 1.00 0.00 H new ATOM 919 N LYS A 70 9.957 5.138 9.231 1.00 0.00 N ATOM 920 CA LYS A 70 10.338 5.028 10.631 1.00 0.00 C ATOM 921 C LYS A 70 10.540 3.560 11.006 1.00 0.00 C ATOM 922 O LYS A 70 11.219 3.243 11.983 1.00 0.00 O ATOM 923 CB LYS A 70 9.245 5.637 11.518 1.00 0.00 C ATOM 924 CG LYS A 70 8.970 7.107 11.243 1.00 0.00 C ATOM 925 CD LYS A 70 7.705 7.589 11.947 1.00 0.00 C ATOM 926 CE LYS A 70 7.791 7.417 13.455 1.00 0.00 C ATOM 927 NZ LYS A 70 6.579 7.935 14.138 1.00 0.00 N ATOM 0 H LYS A 70 8.982 4.900 9.052 1.00 0.00 H new ATOM 0 HA LYS A 70 11.272 5.569 10.785 1.00 0.00 H new ATOM 0 HB2 LYS A 70 8.323 5.073 11.378 1.00 0.00 H new ATOM 0 HB3 LYS A 70 9.534 5.522 12.563 1.00 0.00 H new ATOM 0 HG2 LYS A 70 9.820 7.704 11.574 1.00 0.00 H new ATOM 0 HG3 LYS A 70 8.870 7.263 10.169 1.00 0.00 H new ATOM 0 HD2 LYS A 70 7.537 8.640 11.711 1.00 0.00 H new ATOM 0 HD3 LYS A 70 6.846 7.036 11.568 1.00 0.00 H new ATOM 0 HE2 LYS A 70 7.920 6.361 13.694 1.00 0.00 H new ATOM 0 HE3 LYS A 70 8.671 7.939 13.831 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 6.675 7.800 15.165 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 6.470 8.948 13.931 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 5.742 7.420 13.798 1.00 0.00 H new ATOM 941 N ASP A 71 9.960 2.676 10.209 1.00 0.00 N ATOM 942 CA ASP A 71 9.980 1.242 10.467 1.00 0.00 C ATOM 943 C ASP A 71 10.215 0.490 9.152 1.00 0.00 C ATOM 944 O ASP A 71 9.285 0.265 8.374 1.00 0.00 O ATOM 945 CB ASP A 71 8.645 0.820 11.103 1.00 0.00 C ATOM 946 CG ASP A 71 8.602 -0.640 11.490 1.00 0.00 C ATOM 947 OD1 ASP A 71 9.462 -1.069 12.286 1.00 0.00 O ATOM 948 OD2 ASP A 71 7.701 -1.360 11.012 1.00 0.00 O ATOM 0 H ASP A 71 9.459 2.934 9.359 1.00 0.00 H new ATOM 0 HA ASP A 71 10.788 0.999 11.156 1.00 0.00 H new ATOM 0 HB2 ASP A 71 8.464 1.429 11.989 1.00 0.00 H new ATOM 0 HB3 ASP A 71 7.836 1.027 10.403 1.00 0.00 H new ATOM 953 N PRO A 72 11.479 0.114 8.878 1.00 0.00 N ATOM 954 CA PRO A 72 11.875 -0.522 7.607 1.00 0.00 C ATOM 955 C PRO A 72 11.350 -1.950 7.434 1.00 0.00 C ATOM 956 O PRO A 72 11.287 -2.463 6.311 1.00 0.00 O ATOM 957 CB PRO A 72 13.416 -0.535 7.669 1.00 0.00 C ATOM 958 CG PRO A 72 13.776 0.349 8.820 1.00 0.00 C ATOM 959 CD PRO A 72 12.624 0.284 9.774 1.00 0.00 C ATOM 0 HA PRO A 72 11.459 0.025 6.761 1.00 0.00 H new ATOM 0 HB2 PRO A 72 13.794 -1.546 7.817 1.00 0.00 H new ATOM 0 HB3 PRO A 72 13.849 -0.166 6.740 1.00 0.00 H new ATOM 0 HG2 PRO A 72 14.696 0.011 9.297 1.00 0.00 H new ATOM 0 HG3 PRO A 72 13.947 1.372 8.486 1.00 0.00 H new ATOM 0 HD2 PRO A 72 12.721 -0.548 10.471 1.00 0.00 H new ATOM 0 HD3 PRO A 72 12.540 1.192 10.371 1.00 0.00 H new ATOM 967 N GLN A 73 10.979 -2.591 8.530 1.00 0.00 N ATOM 968 CA GLN A 73 10.497 -3.970 8.479 1.00 0.00 C ATOM 969 C GLN A 73 9.066 -4.064 7.933 1.00 0.00 C ATOM 970 O GLN A 73 8.551 -5.161 7.709 1.00 0.00 O ATOM 971 CB GLN A 73 10.591 -4.614 9.863 1.00 0.00 C ATOM 972 CG GLN A 73 9.772 -3.909 10.921 1.00 0.00 C ATOM 973 CD GLN A 73 10.072 -4.396 12.322 1.00 0.00 C ATOM 974 OE1 GLN A 73 10.442 -5.552 12.532 1.00 0.00 O ATOM 975 NE2 GLN A 73 9.925 -3.514 13.287 1.00 0.00 N ATOM 0 H GLN A 73 11.000 -2.184 9.465 1.00 0.00 H new ATOM 0 HA GLN A 73 11.138 -4.516 7.787 1.00 0.00 H new ATOM 0 HB2 GLN A 73 10.263 -5.651 9.794 1.00 0.00 H new ATOM 0 HB3 GLN A 73 11.635 -4.630 10.176 1.00 0.00 H new ATOM 0 HG2 GLN A 73 9.963 -2.837 10.866 1.00 0.00 H new ATOM 0 HG3 GLN A 73 8.713 -4.055 10.710 1.00 0.00 H new ATOM 0 HE21 GLN A 73 9.616 -2.567 13.069 1.00 0.00 H new ATOM 0 HE22 GLN A 73 10.120 -3.778 14.253 1.00 0.00 H new ATOM 984 N MET A 74 8.433 -2.924 7.714 1.00 0.00 N ATOM 985 CA MET A 74 7.079 -2.902 7.184 1.00 0.00 C ATOM 986 C MET A 74 7.080 -3.120 5.671 1.00 0.00 C ATOM 987 O MET A 74 7.616 -2.304 4.909 1.00 0.00 O ATOM 988 CB MET A 74 6.378 -1.584 7.525 1.00 0.00 C ATOM 989 CG MET A 74 4.936 -1.520 7.041 1.00 0.00 C ATOM 990 SD MET A 74 4.108 0.016 7.486 1.00 0.00 S ATOM 991 CE MET A 74 4.196 -0.065 9.266 1.00 0.00 C ATOM 0 H MET A 74 8.833 -2.003 7.894 1.00 0.00 H new ATOM 0 HA MET A 74 6.529 -3.718 7.652 1.00 0.00 H new ATOM 0 HB2 MET A 74 6.397 -1.441 8.605 1.00 0.00 H new ATOM 0 HB3 MET A 74 6.938 -0.759 7.084 1.00 0.00 H new ATOM 0 HG2 MET A 74 4.918 -1.635 5.957 1.00 0.00 H new ATOM 0 HG3 MET A 74 4.381 -2.359 7.460 1.00 0.00 H new ATOM 0 HE1 MET A 74 3.422 0.569 9.698 1.00 0.00 H new ATOM 0 HE2 MET A 74 4.045 -1.094 9.591 1.00 0.00 H new ATOM 0 HE3 MET A 74 5.175 0.281 9.598 1.00 0.00 H new ATOM 1001 N LEU A 75 6.486 -4.219 5.239 1.00 0.00 N ATOM 1002 CA LEU A 75 6.403 -4.538 3.824 1.00 0.00 C ATOM 1003 C LEU A 75 5.246 -3.781 3.188 1.00 0.00 C ATOM 1004 O LEU A 75 4.458 -3.138 3.889 1.00 0.00 O ATOM 1005 CB LEU A 75 6.215 -6.047 3.627 1.00 0.00 C ATOM 1006 CG LEU A 75 7.296 -6.937 4.244 1.00 0.00 C ATOM 1007 CD1 LEU A 75 6.965 -8.403 4.027 1.00 0.00 C ATOM 1008 CD2 LEU A 75 8.663 -6.607 3.662 1.00 0.00 C ATOM 0 H LEU A 75 6.052 -4.909 5.852 1.00 0.00 H new ATOM 0 HA LEU A 75 7.333 -4.237 3.342 1.00 0.00 H new ATOM 0 HB2 LEU A 75 5.251 -6.332 4.049 1.00 0.00 H new ATOM 0 HB3 LEU A 75 6.168 -6.252 2.557 1.00 0.00 H new ATOM 0 HG LEU A 75 7.326 -6.744 5.316 1.00 0.00 H new ATOM 0 HD11 LEU A 75 7.744 -9.022 4.472 1.00 0.00 H new ATOM 0 HD12 LEU A 75 6.008 -8.633 4.495 1.00 0.00 H new ATOM 0 HD13 LEU A 75 6.905 -8.608 2.958 1.00 0.00 H new ATOM 0 HD21 LEU A 75 9.416 -7.252 4.115 1.00 0.00 H new ATOM 0 HD22 LEU A 75 8.648 -6.768 2.584 1.00 0.00 H new ATOM 0 HD23 LEU A 75 8.905 -5.565 3.870 1.00 0.00 H new ATOM 1020 N LEU A 76 5.141 -3.848 1.866 1.00 0.00 N ATOM 1021 CA LEU A 76 4.066 -3.159 1.161 1.00 0.00 C ATOM 1022 C LEU A 76 2.718 -3.739 1.562 1.00 0.00 C ATOM 1023 O LEU A 76 1.745 -3.009 1.745 1.00 0.00 O ATOM 1024 CB LEU A 76 4.255 -3.251 -0.354 1.00 0.00 C ATOM 1025 CG LEU A 76 3.208 -2.514 -1.198 1.00 0.00 C ATOM 1026 CD1 LEU A 76 3.205 -1.027 -0.874 1.00 0.00 C ATOM 1027 CD2 LEU A 76 3.457 -2.739 -2.681 1.00 0.00 C ATOM 0 H LEU A 76 5.781 -4.367 1.265 1.00 0.00 H new ATOM 0 HA LEU A 76 4.095 -2.106 1.442 1.00 0.00 H new ATOM 0 HB2 LEU A 76 5.240 -2.857 -0.604 1.00 0.00 H new ATOM 0 HB3 LEU A 76 4.251 -4.303 -0.640 1.00 0.00 H new ATOM 0 HG LEU A 76 2.227 -2.919 -0.952 1.00 0.00 H new ATOM 0 HD11 LEU A 76 2.455 -0.523 -1.484 1.00 0.00 H new ATOM 0 HD12 LEU A 76 2.970 -0.885 0.181 1.00 0.00 H new ATOM 0 HD13 LEU A 76 4.188 -0.606 -1.087 1.00 0.00 H new ATOM 0 HD21 LEU A 76 2.703 -2.207 -3.261 1.00 0.00 H new ATOM 0 HD22 LEU A 76 4.447 -2.366 -2.944 1.00 0.00 H new ATOM 0 HD23 LEU A 76 3.400 -3.805 -2.902 1.00 0.00 H new ATOM 1039 N ILE A 77 2.676 -5.060 1.706 1.00 0.00 N ATOM 1040 CA ILE A 77 1.466 -5.747 2.127 1.00 0.00 C ATOM 1041 C ILE A 77 1.034 -5.232 3.490 1.00 0.00 C ATOM 1042 O ILE A 77 -0.122 -4.867 3.687 1.00 0.00 O ATOM 1043 CB ILE A 77 1.682 -7.280 2.211 1.00 0.00 C ATOM 1044 CG1 ILE A 77 2.201 -7.831 0.876 1.00 0.00 C ATOM 1045 CG2 ILE A 77 0.392 -7.991 2.621 1.00 0.00 C ATOM 1046 CD1 ILE A 77 1.269 -7.599 -0.296 1.00 0.00 C ATOM 0 H ILE A 77 3.471 -5.676 1.536 1.00 0.00 H new ATOM 0 HA ILE A 77 0.694 -5.548 1.384 1.00 0.00 H new ATOM 0 HB ILE A 77 2.434 -7.472 2.976 1.00 0.00 H new ATOM 0 HG12 ILE A 77 3.165 -7.371 0.656 1.00 0.00 H new ATOM 0 HG13 ILE A 77 2.375 -8.902 0.981 1.00 0.00 H new ATOM 0 HG21 ILE A 77 0.569 -9.065 2.673 1.00 0.00 H new ATOM 0 HG22 ILE A 77 0.071 -7.629 3.598 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -0.386 -7.787 1.885 1.00 0.00 H new ATOM 0 HD11 ILE A 77 1.710 -8.018 -1.200 1.00 0.00 H new ATOM 0 HD12 ILE A 77 0.312 -8.083 -0.101 1.00 0.00 H new ATOM 0 HD13 ILE A 77 1.114 -6.529 -0.431 1.00 0.00 H new ATOM 1058 N THR A 78 1.989 -5.186 4.412 1.00 0.00 N ATOM 1059 CA THR A 78 1.753 -4.723 5.765 1.00 0.00 C ATOM 1060 C THR A 78 1.128 -3.324 5.767 1.00 0.00 C ATOM 1061 O THR A 78 0.082 -3.112 6.360 1.00 0.00 O ATOM 1062 CB THR A 78 3.076 -4.682 6.542 1.00 0.00 C ATOM 1063 OG1 THR A 78 3.904 -5.786 6.136 1.00 0.00 O ATOM 1064 CG2 THR A 78 2.825 -4.764 8.043 1.00 0.00 C ATOM 0 H THR A 78 2.952 -5.471 4.236 1.00 0.00 H new ATOM 0 HA THR A 78 1.062 -5.418 6.242 1.00 0.00 H new ATOM 0 HB THR A 78 3.578 -3.739 6.324 1.00 0.00 H new ATOM 0 HG1 THR A 78 4.583 -5.955 6.822 1.00 0.00 H new ATOM 0 HG21 THR A 78 3.777 -4.733 8.573 1.00 0.00 H new ATOM 0 HG22 THR A 78 2.208 -3.921 8.355 1.00 0.00 H new ATOM 0 HG23 THR A 78 2.310 -5.696 8.275 1.00 0.00 H new ATOM 1072 N ALA A 79 1.797 -2.382 5.099 1.00 0.00 N ATOM 1073 CA ALA A 79 1.320 -0.996 4.995 1.00 0.00 C ATOM 1074 C ALA A 79 -0.156 -0.922 4.584 1.00 0.00 C ATOM 1075 O ALA A 79 -0.983 -0.352 5.302 1.00 0.00 O ATOM 1076 CB ALA A 79 2.180 -0.216 4.014 1.00 0.00 C ATOM 0 H ALA A 79 2.679 -2.554 4.617 1.00 0.00 H new ATOM 0 HA ALA A 79 1.404 -0.547 5.985 1.00 0.00 H new ATOM 0 HB1 ALA A 79 1.816 0.809 3.946 1.00 0.00 H new ATOM 0 HB2 ALA A 79 3.214 -0.212 4.360 1.00 0.00 H new ATOM 0 HB3 ALA A 79 2.128 -0.685 3.032 1.00 0.00 H new ATOM 1082 N ILE A 80 -0.481 -1.515 3.442 1.00 0.00 N ATOM 1083 CA ILE A 80 -1.850 -1.499 2.922 1.00 0.00 C ATOM 1084 C ILE A 80 -2.814 -2.191 3.886 1.00 0.00 C ATOM 1085 O ILE A 80 -3.902 -1.681 4.181 1.00 0.00 O ATOM 1086 CB ILE A 80 -1.930 -2.199 1.549 1.00 0.00 C ATOM 1087 CG1 ILE A 80 -0.896 -1.609 0.585 1.00 0.00 C ATOM 1088 CG2 ILE A 80 -3.333 -2.072 0.972 1.00 0.00 C ATOM 1089 CD1 ILE A 80 -0.821 -2.326 -0.745 1.00 0.00 C ATOM 0 H ILE A 80 0.185 -2.016 2.854 1.00 0.00 H new ATOM 0 HA ILE A 80 -2.138 -0.453 2.813 1.00 0.00 H new ATOM 0 HB ILE A 80 -1.707 -3.257 1.685 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -1.135 -0.560 0.409 1.00 0.00 H new ATOM 0 HG13 ILE A 80 0.086 -1.637 1.058 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -3.375 -2.570 0.003 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -4.049 -2.537 1.650 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -3.582 -1.018 0.849 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -0.067 -1.851 -1.373 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -0.551 -3.369 -0.581 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -1.790 -2.275 -1.241 1.00 0.00 H new ATOM 1101 N ASP A 81 -2.393 -3.340 4.388 1.00 0.00 N ATOM 1102 CA ASP A 81 -3.203 -4.138 5.307 1.00 0.00 C ATOM 1103 C ASP A 81 -3.425 -3.389 6.623 1.00 0.00 C ATOM 1104 O ASP A 81 -4.395 -3.627 7.335 1.00 0.00 O ATOM 1105 CB ASP A 81 -2.520 -5.489 5.553 1.00 0.00 C ATOM 1106 CG ASP A 81 -3.329 -6.427 6.431 1.00 0.00 C ATOM 1107 OD1 ASP A 81 -4.220 -7.132 5.901 1.00 0.00 O ATOM 1108 OD2 ASP A 81 -3.058 -6.493 7.646 1.00 0.00 O ATOM 0 H ASP A 81 -1.484 -3.749 4.174 1.00 0.00 H new ATOM 0 HA ASP A 81 -4.181 -4.315 4.859 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -2.333 -5.973 4.594 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -1.549 -5.317 6.017 1.00 0.00 H new ATOM 1113 N ASP A 82 -2.517 -2.484 6.936 1.00 0.00 N ATOM 1114 CA ASP A 82 -2.630 -1.663 8.130 1.00 0.00 C ATOM 1115 C ASP A 82 -3.520 -0.449 7.870 1.00 0.00 C ATOM 1116 O ASP A 82 -4.247 0.002 8.755 1.00 0.00 O ATOM 1117 CB ASP A 82 -1.254 -1.209 8.610 1.00 0.00 C ATOM 1118 CG ASP A 82 -1.323 -0.464 9.921 1.00 0.00 C ATOM 1119 OD1 ASP A 82 -1.500 -1.116 10.968 1.00 0.00 O ATOM 1120 OD2 ASP A 82 -1.190 0.776 9.919 1.00 0.00 O ATOM 0 H ASP A 82 -1.686 -2.297 6.375 1.00 0.00 H new ATOM 0 HA ASP A 82 -3.087 -2.271 8.911 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -0.606 -2.078 8.722 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -0.801 -0.568 7.854 1.00 0.00 H new ATOM 1125 N THR A 83 -3.471 0.069 6.640 1.00 0.00 N ATOM 1126 CA THR A 83 -4.264 1.227 6.257 1.00 0.00 C ATOM 1127 C THR A 83 -5.751 0.929 6.410 1.00 0.00 C ATOM 1128 O THR A 83 -6.542 1.814 6.751 1.00 0.00 O ATOM 1129 CB THR A 83 -3.986 1.651 4.798 1.00 0.00 C ATOM 1130 OG1 THR A 83 -2.578 1.686 4.556 1.00 0.00 O ATOM 1131 CG2 THR A 83 -4.570 3.031 4.519 1.00 0.00 C ATOM 0 H THR A 83 -2.885 -0.302 5.892 1.00 0.00 H new ATOM 0 HA THR A 83 -3.978 2.044 6.919 1.00 0.00 H new ATOM 0 HB THR A 83 -4.456 0.921 4.139 1.00 0.00 H new ATOM 0 HG1 THR A 83 -2.212 0.779 4.623 1.00 0.00 H new ATOM 0 HG21 THR A 83 -4.363 3.311 3.486 1.00 0.00 H new ATOM 0 HG22 THR A 83 -5.648 3.009 4.681 1.00 0.00 H new ATOM 0 HG23 THR A 83 -4.117 3.760 5.190 1.00 0.00 H new ATOM 1139 N MET A 84 -6.131 -0.324 6.170 1.00 0.00 N ATOM 1140 CA MET A 84 -7.524 -0.716 6.311 1.00 0.00 C ATOM 1141 C MET A 84 -7.982 -0.595 7.752 1.00 0.00 C ATOM 1142 O MET A 84 -9.155 -0.449 8.004 1.00 0.00 O ATOM 1143 CB MET A 84 -7.777 -2.131 5.821 1.00 0.00 C ATOM 1144 CG MET A 84 -7.218 -3.205 6.728 1.00 0.00 C ATOM 1145 SD MET A 84 -8.225 -4.684 6.720 1.00 0.00 S ATOM 1146 CE MET A 84 -8.439 -4.897 4.972 1.00 0.00 C ATOM 0 H MET A 84 -5.501 -1.073 5.881 1.00 0.00 H new ATOM 0 HA MET A 84 -8.099 -0.032 5.688 1.00 0.00 H new ATOM 0 HB2 MET A 84 -8.851 -2.282 5.716 1.00 0.00 H new ATOM 0 HB3 MET A 84 -7.341 -2.244 4.829 1.00 0.00 H new ATOM 0 HG2 MET A 84 -6.205 -3.455 6.412 1.00 0.00 H new ATOM 0 HG3 MET A 84 -7.148 -2.820 7.745 1.00 0.00 H new ATOM 0 HE1 MET A 84 -8.548 -5.958 4.745 1.00 0.00 H new ATOM 0 HE2 MET A 84 -9.332 -4.363 4.647 1.00 0.00 H new ATOM 0 HE3 MET A 84 -7.569 -4.502 4.448 1.00 0.00 H new ATOM 1156 N ARG A 85 -7.058 -0.702 8.701 1.00 0.00 N ATOM 1157 CA ARG A 85 -7.400 -0.529 10.106 1.00 0.00 C ATOM 1158 C ARG A 85 -7.743 0.926 10.362 1.00 0.00 C ATOM 1159 O ARG A 85 -8.682 1.240 11.096 1.00 0.00 O ATOM 1160 CB ARG A 85 -6.231 -0.967 10.993 1.00 0.00 C ATOM 1161 CG ARG A 85 -5.743 -2.377 10.701 1.00 0.00 C ATOM 1162 CD ARG A 85 -4.508 -2.730 11.513 1.00 0.00 C ATOM 1163 NE ARG A 85 -4.788 -2.803 12.947 1.00 0.00 N ATOM 1164 CZ ARG A 85 -3.877 -3.104 13.874 1.00 0.00 C ATOM 1165 NH1 ARG A 85 -2.619 -3.332 13.522 1.00 0.00 N ATOM 1166 NH2 ARG A 85 -4.225 -3.170 15.153 1.00 0.00 N ATOM 0 H ARG A 85 -6.074 -0.906 8.524 1.00 0.00 H new ATOM 0 HA ARG A 85 -8.263 -1.149 10.348 1.00 0.00 H new ATOM 0 HB2 ARG A 85 -5.404 -0.270 10.860 1.00 0.00 H new ATOM 0 HB3 ARG A 85 -6.535 -0.905 12.038 1.00 0.00 H new ATOM 0 HG2 ARG A 85 -6.538 -3.089 10.922 1.00 0.00 H new ATOM 0 HG3 ARG A 85 -5.518 -2.470 9.639 1.00 0.00 H new ATOM 0 HD2 ARG A 85 -4.114 -3.688 11.173 1.00 0.00 H new ATOM 0 HD3 ARG A 85 -3.733 -1.985 11.334 1.00 0.00 H new ATOM 0 HE ARG A 85 -5.740 -2.612 13.258 1.00 0.00 H new ATOM 0 HH11 ARG A 85 -2.346 -3.277 12.541 1.00 0.00 H new ATOM 0 HH12 ARG A 85 -1.924 -3.562 14.233 1.00 0.00 H new ATOM 0 HH21 ARG A 85 -5.190 -2.990 15.429 1.00 0.00 H new ATOM 0 HH22 ARG A 85 -3.527 -3.400 15.860 1.00 0.00 H new ATOM 1180 N ALA A 86 -6.963 1.810 9.750 1.00 0.00 N ATOM 1181 CA ALA A 86 -7.192 3.239 9.837 1.00 0.00 C ATOM 1182 C ALA A 86 -8.542 3.620 9.224 1.00 0.00 C ATOM 1183 O ALA A 86 -9.357 4.280 9.873 1.00 0.00 O ATOM 1184 CB ALA A 86 -6.062 4.002 9.159 1.00 0.00 C ATOM 0 H ALA A 86 -6.156 1.552 9.181 1.00 0.00 H new ATOM 0 HA ALA A 86 -7.213 3.513 10.892 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -6.250 5.073 9.234 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -5.118 3.764 9.649 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -6.008 3.715 8.109 1.00 0.00 H new ATOM 1190 N ILE A 87 -8.781 3.209 7.972 1.00 0.00 N ATOM 1191 CA ILE A 87 -10.054 3.521 7.292 1.00 0.00 C ATOM 1192 C ILE A 87 -11.193 2.656 7.829 1.00 0.00 C ATOM 1193 O ILE A 87 -12.367 3.004 7.696 1.00 0.00 O ATOM 1194 CB ILE A 87 -9.962 3.267 5.766 1.00 0.00 C ATOM 1195 CG1 ILE A 87 -8.714 3.900 5.170 1.00 0.00 C ATOM 1196 CG2 ILE A 87 -11.206 3.796 5.053 1.00 0.00 C ATOM 1197 CD1 ILE A 87 -8.551 3.592 3.699 1.00 0.00 C ATOM 0 H ILE A 87 -8.123 2.667 7.412 1.00 0.00 H new ATOM 0 HA ILE A 87 -10.251 4.575 7.485 1.00 0.00 H new ATOM 0 HB ILE A 87 -9.901 2.189 5.619 1.00 0.00 H new ATOM 0 HG12 ILE A 87 -8.758 4.980 5.308 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -7.837 3.544 5.711 1.00 0.00 H new ATOM 0 HG21 ILE A 87 -11.120 3.607 3.983 1.00 0.00 H new ATOM 0 HG22 ILE A 87 -12.090 3.290 5.441 1.00 0.00 H new ATOM 0 HG23 ILE A 87 -11.296 4.868 5.226 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -7.645 4.069 3.326 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -8.478 2.513 3.559 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -9.413 3.972 3.150 1.00 0.00 H new ATOM 1209 N GLY A 88 -10.828 1.533 8.425 1.00 0.00 N ATOM 1210 CA GLY A 88 -11.795 0.564 8.913 1.00 0.00 C ATOM 1211 C GLY A 88 -12.616 1.042 10.092 1.00 0.00 C ATOM 1212 O GLY A 88 -12.526 0.480 11.188 1.00 0.00 O ATOM 0 H GLY A 88 -9.856 1.268 8.584 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -12.470 0.300 8.099 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -11.267 -0.346 9.198 1.00 0.00 H new