USER MOD reduce.3.24.130724 H: found=0, std=0, add=623, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 625 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 5 THR OG1 : rot 71:sc= 0.873 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 TYR OH : rot -67:sc= 0.788 USER MOD Single : A 9 TYR OH : rot -39:sc= 0.0645 USER MOD Single : A 10 LYS NZ :NH3+ 149:sc= -0.0936 (180deg=-0.927) USER MOD Single : A 13 ASN : amide:sc= -0.0102 X(o=-0.01,f=-0.5) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 29 TYR OH : rot 3:sc= -0.392 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 ASN : amide:sc= -0.0466 K(o=-0.047,f=-2.1!) USER MOD Single : A 34 SER OG : rot -31:sc= 0.33! USER MOD Single : A 37 LYS NZ :NH3+ -137:sc= -0.173 (180deg=-2.01!) USER MOD Single : A 39 SER OG : rot 51:sc= 0.512 USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 GLN : amide:sc= -0.263 X(o=-0.26,f=-0.22) USER MOD Single : A 70 ASN : amide:sc= 0 X(o=0,f=0.06) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 ASN : amide:sc= -0.389 K(o=-0.39,f=0.58) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 43 N VAL A 4 -11.437 -1.019 -19.585 1.00 0.00 N ATOM 44 CA VAL A 4 -11.195 -0.747 -18.141 1.00 0.00 C ATOM 45 C VAL A 4 -10.711 0.694 -17.967 1.00 0.00 C ATOM 46 O VAL A 4 -10.427 1.384 -18.926 1.00 0.00 O ATOM 47 CB VAL A 4 -10.130 -1.709 -17.611 1.00 0.00 C ATOM 48 CG1 VAL A 4 -10.673 -3.139 -17.640 1.00 0.00 C ATOM 49 CG2 VAL A 4 -8.883 -1.621 -18.492 1.00 0.00 C ATOM 0 HA VAL A 4 -12.122 -0.889 -17.585 1.00 0.00 H new ATOM 0 HB VAL A 4 -9.874 -1.439 -16.587 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -9.914 -3.824 -17.262 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -11.563 -3.203 -17.014 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -10.929 -3.410 -18.664 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -8.123 -2.306 -18.116 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -9.141 -1.892 -19.516 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -8.495 -0.603 -18.473 1.00 0.00 H new ATOM 59 N THR A 5 -10.615 1.155 -16.749 1.00 0.00 N ATOM 60 CA THR A 5 -10.149 2.550 -16.516 1.00 0.00 C ATOM 61 C THR A 5 -8.690 2.531 -16.054 1.00 0.00 C ATOM 62 O THR A 5 -8.175 1.512 -15.640 1.00 0.00 O ATOM 63 CB THR A 5 -11.017 3.204 -15.438 1.00 0.00 C ATOM 64 OG1 THR A 5 -12.272 2.540 -15.376 1.00 0.00 O ATOM 65 CG2 THR A 5 -11.234 4.680 -15.780 1.00 0.00 C ATOM 0 H THR A 5 -10.839 0.625 -15.907 1.00 0.00 H new ATOM 0 HA THR A 5 -10.229 3.119 -17.442 1.00 0.00 H new ATOM 0 HB THR A 5 -10.517 3.128 -14.472 1.00 0.00 H new ATOM 0 HG1 THR A 5 -12.151 1.648 -14.988 1.00 0.00 H new ATOM 0 HG21 THR A 5 -11.852 5.144 -15.012 1.00 0.00 H new ATOM 0 HG22 THR A 5 -10.271 5.188 -15.827 1.00 0.00 H new ATOM 0 HG23 THR A 5 -11.734 4.760 -16.745 1.00 0.00 H new ATOM 73 N LYS A 6 -8.022 3.650 -16.120 1.00 0.00 N ATOM 74 CA LYS A 6 -6.597 3.693 -15.685 1.00 0.00 C ATOM 75 C LYS A 6 -6.431 4.746 -14.587 1.00 0.00 C ATOM 76 O LYS A 6 -6.872 5.871 -14.721 1.00 0.00 O ATOM 77 CB LYS A 6 -5.710 4.054 -16.877 1.00 0.00 C ATOM 78 CG LYS A 6 -4.278 3.587 -16.609 1.00 0.00 C ATOM 79 CD LYS A 6 -3.459 3.678 -17.898 1.00 0.00 C ATOM 80 CE LYS A 6 -3.912 2.586 -18.869 1.00 0.00 C ATOM 81 NZ LYS A 6 -2.765 2.183 -19.731 1.00 0.00 N ATOM 0 H LYS A 6 -8.401 4.535 -16.456 1.00 0.00 H new ATOM 0 HA LYS A 6 -6.305 2.716 -15.299 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -6.093 3.585 -17.784 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -5.727 5.131 -17.043 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -3.823 4.203 -15.833 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -4.282 2.561 -16.240 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -3.586 4.660 -18.354 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -2.398 3.565 -17.676 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -4.286 1.724 -18.316 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -4.734 2.950 -19.485 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -3.071 1.441 -20.392 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -2.428 3.007 -20.268 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -1.994 1.819 -19.135 1.00 0.00 H new ATOM 95 N TYR A 7 -5.799 4.392 -13.502 1.00 0.00 N ATOM 96 CA TYR A 7 -5.606 5.374 -12.399 1.00 0.00 C ATOM 97 C TYR A 7 -4.114 5.673 -12.236 1.00 0.00 C ATOM 98 O TYR A 7 -3.336 4.814 -11.871 1.00 0.00 O ATOM 99 CB TYR A 7 -6.154 4.790 -11.095 1.00 0.00 C ATOM 100 CG TYR A 7 -7.598 5.197 -10.929 1.00 0.00 C ATOM 101 CD1 TYR A 7 -8.560 4.756 -11.845 1.00 0.00 C ATOM 102 CD2 TYR A 7 -7.975 6.016 -9.857 1.00 0.00 C ATOM 103 CE1 TYR A 7 -9.899 5.135 -11.690 1.00 0.00 C ATOM 104 CE2 TYR A 7 -9.314 6.393 -9.702 1.00 0.00 C ATOM 105 CZ TYR A 7 -10.277 5.952 -10.618 1.00 0.00 C ATOM 106 OH TYR A 7 -11.596 6.324 -10.465 1.00 0.00 O ATOM 0 H TYR A 7 -5.408 3.465 -13.332 1.00 0.00 H new ATOM 0 HA TYR A 7 -6.137 6.296 -12.637 1.00 0.00 H new ATOM 0 HB2 TYR A 7 -6.070 3.703 -11.107 1.00 0.00 H new ATOM 0 HB3 TYR A 7 -5.565 5.145 -10.249 1.00 0.00 H new ATOM 0 HD1 TYR A 7 -8.270 4.124 -12.671 1.00 0.00 H new ATOM 0 HD2 TYR A 7 -7.233 6.356 -9.150 1.00 0.00 H new ATOM 0 HE1 TYR A 7 -10.641 4.797 -12.398 1.00 0.00 H new ATOM 0 HE2 TYR A 7 -9.605 7.024 -8.875 1.00 0.00 H new ATOM 0 HH TYR A 7 -11.859 6.910 -11.205 1.00 0.00 H new ATOM 116 N PHE A 8 -3.709 6.884 -12.506 1.00 0.00 N ATOM 117 CA PHE A 8 -2.268 7.235 -12.367 1.00 0.00 C ATOM 118 C PHE A 8 -1.968 7.585 -10.907 1.00 0.00 C ATOM 119 O PHE A 8 -2.767 8.202 -10.230 1.00 0.00 O ATOM 120 CB PHE A 8 -1.948 8.439 -13.256 1.00 0.00 C ATOM 121 CG PHE A 8 -1.445 7.957 -14.594 1.00 0.00 C ATOM 122 CD1 PHE A 8 -0.110 7.556 -14.736 1.00 0.00 C ATOM 123 CD2 PHE A 8 -2.310 7.913 -15.693 1.00 0.00 C ATOM 124 CE1 PHE A 8 0.357 7.109 -15.978 1.00 0.00 C ATOM 125 CE2 PHE A 8 -1.842 7.466 -16.935 1.00 0.00 C ATOM 126 CZ PHE A 8 -0.508 7.063 -17.077 1.00 0.00 C ATOM 0 H PHE A 8 -4.313 7.645 -12.817 1.00 0.00 H new ATOM 0 HA PHE A 8 -1.656 6.386 -12.671 1.00 0.00 H new ATOM 0 HB2 PHE A 8 -2.839 9.053 -13.390 1.00 0.00 H new ATOM 0 HB3 PHE A 8 -1.197 9.068 -12.778 1.00 0.00 H new ATOM 0 HD1 PHE A 8 0.558 7.592 -13.888 1.00 0.00 H new ATOM 0 HD2 PHE A 8 -3.339 8.224 -15.583 1.00 0.00 H new ATOM 0 HE1 PHE A 8 1.386 6.799 -16.088 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -2.510 7.432 -17.783 1.00 0.00 H new ATOM 0 HZ PHE A 8 -0.147 6.717 -18.034 1.00 0.00 H new ATOM 136 N TYR A 9 -0.823 7.195 -10.418 1.00 0.00 N ATOM 137 CA TYR A 9 -0.474 7.505 -9.003 1.00 0.00 C ATOM 138 C TYR A 9 0.850 8.271 -8.960 1.00 0.00 C ATOM 139 O TYR A 9 1.743 8.031 -9.748 1.00 0.00 O ATOM 140 CB TYR A 9 -0.334 6.201 -8.214 1.00 0.00 C ATOM 141 CG TYR A 9 0.037 6.515 -6.784 1.00 0.00 C ATOM 142 CD1 TYR A 9 1.380 6.688 -6.431 1.00 0.00 C ATOM 143 CD2 TYR A 9 -0.964 6.633 -5.812 1.00 0.00 C ATOM 144 CE1 TYR A 9 1.723 6.978 -5.105 1.00 0.00 C ATOM 145 CE2 TYR A 9 -0.621 6.923 -4.486 1.00 0.00 C ATOM 146 CZ TYR A 9 0.722 7.096 -4.133 1.00 0.00 C ATOM 147 OH TYR A 9 1.060 7.382 -2.826 1.00 0.00 O ATOM 0 H TYR A 9 -0.115 6.676 -10.937 1.00 0.00 H new ATOM 0 HA TYR A 9 -1.262 8.115 -8.560 1.00 0.00 H new ATOM 0 HB2 TYR A 9 -1.270 5.643 -8.244 1.00 0.00 H new ATOM 0 HB3 TYR A 9 0.429 5.569 -8.668 1.00 0.00 H new ATOM 0 HD1 TYR A 9 2.152 6.598 -7.181 1.00 0.00 H new ATOM 0 HD2 TYR A 9 -2.000 6.500 -6.085 1.00 0.00 H new ATOM 0 HE1 TYR A 9 2.759 7.111 -4.832 1.00 0.00 H new ATOM 0 HE2 TYR A 9 -1.393 7.013 -3.736 1.00 0.00 H new ATOM 0 HH TYR A 9 1.877 6.897 -2.586 1.00 0.00 H new ATOM 157 N LYS A 10 0.983 9.194 -8.046 1.00 0.00 N ATOM 158 CA LYS A 10 2.249 9.974 -7.954 1.00 0.00 C ATOM 159 C LYS A 10 2.943 9.666 -6.626 1.00 0.00 C ATOM 160 O LYS A 10 2.344 9.734 -5.571 1.00 0.00 O ATOM 161 CB LYS A 10 1.933 11.469 -8.030 1.00 0.00 C ATOM 162 CG LYS A 10 3.238 12.267 -8.049 1.00 0.00 C ATOM 163 CD LYS A 10 2.931 13.743 -8.311 1.00 0.00 C ATOM 164 CE LYS A 10 3.822 14.616 -7.425 1.00 0.00 C ATOM 165 NZ LYS A 10 5.230 14.139 -7.513 1.00 0.00 N ATOM 0 H LYS A 10 0.270 9.441 -7.360 1.00 0.00 H new ATOM 0 HA LYS A 10 2.906 9.699 -8.779 1.00 0.00 H new ATOM 0 HB2 LYS A 10 1.351 11.683 -8.926 1.00 0.00 H new ATOM 0 HB3 LYS A 10 1.325 11.767 -7.176 1.00 0.00 H new ATOM 0 HG2 LYS A 10 3.758 12.156 -7.097 1.00 0.00 H new ATOM 0 HG3 LYS A 10 3.902 11.880 -8.822 1.00 0.00 H new ATOM 0 HD2 LYS A 10 3.101 13.980 -9.361 1.00 0.00 H new ATOM 0 HD3 LYS A 10 1.881 13.949 -8.104 1.00 0.00 H new ATOM 0 HE2 LYS A 10 3.759 15.657 -7.741 1.00 0.00 H new ATOM 0 HE3 LYS A 10 3.477 14.575 -6.392 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 5.877 14.943 -7.389 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 5.405 13.435 -6.768 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 5.392 13.705 -8.444 1.00 0.00 H new ATOM 179 N GLY A 11 4.203 9.326 -6.669 1.00 0.00 N ATOM 180 CA GLY A 11 4.934 9.014 -5.408 1.00 0.00 C ATOM 181 C GLY A 11 5.810 10.204 -5.016 1.00 0.00 C ATOM 182 O GLY A 11 5.522 11.337 -5.352 1.00 0.00 O ATOM 0 H GLY A 11 4.757 9.251 -7.522 1.00 0.00 H new ATOM 0 HA2 GLY A 11 4.225 8.793 -4.610 1.00 0.00 H new ATOM 0 HA3 GLY A 11 5.550 8.125 -5.543 1.00 0.00 H new ATOM 186 N GLU A 12 6.878 9.959 -4.309 1.00 0.00 N ATOM 187 CA GLU A 12 7.771 11.078 -3.897 1.00 0.00 C ATOM 188 C GLU A 12 8.619 11.521 -5.091 1.00 0.00 C ATOM 189 O GLU A 12 8.936 12.684 -5.243 1.00 0.00 O ATOM 190 CB GLU A 12 8.689 10.608 -2.766 1.00 0.00 C ATOM 191 CG GLU A 12 8.671 11.636 -1.632 1.00 0.00 C ATOM 192 CD GLU A 12 9.345 11.042 -0.394 1.00 0.00 C ATOM 193 OE1 GLU A 12 8.739 10.189 0.233 1.00 0.00 O ATOM 194 OE2 GLU A 12 10.454 11.451 -0.093 1.00 0.00 O ATOM 0 H GLU A 12 7.171 9.033 -3.999 1.00 0.00 H new ATOM 0 HA GLU A 12 7.166 11.916 -3.550 1.00 0.00 H new ATOM 0 HB2 GLU A 12 8.360 9.637 -2.396 1.00 0.00 H new ATOM 0 HB3 GLU A 12 9.705 10.479 -3.138 1.00 0.00 H new ATOM 0 HG2 GLU A 12 9.190 12.543 -1.941 1.00 0.00 H new ATOM 0 HG3 GLU A 12 7.644 11.919 -1.400 1.00 0.00 H new ATOM 201 N ASN A 13 8.989 10.602 -5.940 1.00 0.00 N ATOM 202 CA ASN A 13 9.816 10.970 -7.124 1.00 0.00 C ATOM 203 C ASN A 13 9.502 10.019 -8.281 1.00 0.00 C ATOM 204 O ASN A 13 9.499 10.405 -9.432 1.00 0.00 O ATOM 205 CB ASN A 13 11.299 10.863 -6.763 1.00 0.00 C ATOM 206 CG ASN A 13 12.135 11.596 -7.815 1.00 0.00 C ATOM 207 OD1 ASN A 13 11.844 12.724 -8.159 1.00 0.00 O ATOM 208 ND2 ASN A 13 13.168 10.998 -8.341 1.00 0.00 N ATOM 0 H ASN A 13 8.754 9.612 -5.865 1.00 0.00 H new ATOM 0 HA ASN A 13 9.588 11.993 -7.423 1.00 0.00 H new ATOM 0 HB2 ASN A 13 11.476 11.294 -5.778 1.00 0.00 H new ATOM 0 HB3 ASN A 13 11.597 9.816 -6.711 1.00 0.00 H new ATOM 0 HD21 ASN A 13 13.733 11.478 -9.042 1.00 0.00 H new ATOM 0 HD22 ASN A 13 13.411 10.051 -8.051 1.00 0.00 H new ATOM 215 N THR A 14 9.236 8.776 -7.983 1.00 0.00 N ATOM 216 CA THR A 14 8.922 7.802 -9.066 1.00 0.00 C ATOM 217 C THR A 14 7.416 7.804 -9.333 1.00 0.00 C ATOM 218 O THR A 14 6.627 8.193 -8.494 1.00 0.00 O ATOM 219 CB THR A 14 9.361 6.400 -8.634 1.00 0.00 C ATOM 220 OG1 THR A 14 10.747 6.415 -8.325 1.00 0.00 O ATOM 221 CG2 THR A 14 9.099 5.409 -9.768 1.00 0.00 C ATOM 0 H THR A 14 9.223 8.394 -7.037 1.00 0.00 H new ATOM 0 HA THR A 14 9.453 8.086 -9.975 1.00 0.00 H new ATOM 0 HB THR A 14 8.795 6.097 -7.753 1.00 0.00 H new ATOM 0 HG1 THR A 14 11.030 5.519 -8.047 1.00 0.00 H new ATOM 0 HG21 THR A 14 9.412 4.412 -9.459 1.00 0.00 H new ATOM 0 HG22 THR A 14 8.035 5.399 -10.004 1.00 0.00 H new ATOM 0 HG23 THR A 14 9.663 5.709 -10.651 1.00 0.00 H new ATOM 229 N ASP A 15 7.008 7.374 -10.496 1.00 0.00 N ATOM 230 CA ASP A 15 5.553 7.353 -10.814 1.00 0.00 C ATOM 231 C ASP A 15 5.044 5.911 -10.779 1.00 0.00 C ATOM 232 O ASP A 15 5.781 4.976 -11.020 1.00 0.00 O ATOM 233 CB ASP A 15 5.329 7.940 -12.210 1.00 0.00 C ATOM 234 CG ASP A 15 3.831 8.153 -12.439 1.00 0.00 C ATOM 235 OD1 ASP A 15 3.055 7.365 -11.924 1.00 0.00 O ATOM 236 OD2 ASP A 15 3.487 9.100 -13.126 1.00 0.00 O ATOM 0 H ASP A 15 7.620 7.037 -11.239 1.00 0.00 H new ATOM 0 HA ASP A 15 5.011 7.947 -10.078 1.00 0.00 H new ATOM 0 HB2 ASP A 15 5.861 8.886 -12.308 1.00 0.00 H new ATOM 0 HB3 ASP A 15 5.732 7.268 -12.968 1.00 0.00 H new ATOM 241 N LEU A 16 3.787 5.722 -10.480 1.00 0.00 N ATOM 242 CA LEU A 16 3.232 4.341 -10.429 1.00 0.00 C ATOM 243 C LEU A 16 1.868 4.314 -11.121 1.00 0.00 C ATOM 244 O LEU A 16 1.226 5.331 -11.291 1.00 0.00 O ATOM 245 CB LEU A 16 3.073 3.909 -8.970 1.00 0.00 C ATOM 246 CG LEU A 16 4.446 3.866 -8.296 1.00 0.00 C ATOM 247 CD1 LEU A 16 4.268 3.842 -6.777 1.00 0.00 C ATOM 248 CD2 LEU A 16 5.191 2.605 -8.741 1.00 0.00 C ATOM 0 H LEU A 16 3.121 6.465 -10.269 1.00 0.00 H new ATOM 0 HA LEU A 16 3.911 3.657 -10.938 1.00 0.00 H new ATOM 0 HB2 LEU A 16 2.420 4.604 -8.443 1.00 0.00 H new ATOM 0 HB3 LEU A 16 2.601 2.928 -8.920 1.00 0.00 H new ATOM 0 HG LEU A 16 5.019 4.748 -8.581 1.00 0.00 H new ATOM 0 HD11 LEU A 16 5.246 3.811 -6.297 1.00 0.00 H new ATOM 0 HD12 LEU A 16 3.735 4.738 -6.459 1.00 0.00 H new ATOM 0 HD13 LEU A 16 3.696 2.959 -6.492 1.00 0.00 H new ATOM 0 HD21 LEU A 16 6.170 2.572 -8.262 1.00 0.00 H new ATOM 0 HD22 LEU A 16 4.617 1.723 -8.455 1.00 0.00 H new ATOM 0 HD23 LEU A 16 5.317 2.620 -9.824 1.00 0.00 H new ATOM 260 N ILE A 17 1.420 3.156 -11.524 1.00 0.00 N ATOM 261 CA ILE A 17 0.097 3.064 -12.204 1.00 0.00 C ATOM 262 C ILE A 17 -0.587 1.752 -11.815 1.00 0.00 C ATOM 263 O ILE A 17 0.060 0.756 -11.560 1.00 0.00 O ATOM 264 CB ILE A 17 0.301 3.102 -13.720 1.00 0.00 C ATOM 265 CG1 ILE A 17 1.343 4.167 -14.067 1.00 0.00 C ATOM 266 CG2 ILE A 17 -1.024 3.445 -14.405 1.00 0.00 C ATOM 267 CD1 ILE A 17 1.636 4.126 -15.568 1.00 0.00 C ATOM 0 H ILE A 17 1.913 2.270 -11.412 1.00 0.00 H new ATOM 0 HA ILE A 17 -0.528 3.903 -11.899 1.00 0.00 H new ATOM 0 HB ILE A 17 0.647 2.127 -14.064 1.00 0.00 H new ATOM 0 HG12 ILE A 17 0.977 5.154 -13.784 1.00 0.00 H new ATOM 0 HG13 ILE A 17 2.259 3.992 -13.502 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -0.879 3.472 -15.485 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -1.768 2.688 -14.158 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -1.370 4.420 -14.061 1.00 0.00 H new ATOM 0 HD11 ILE A 17 2.378 4.885 -15.815 1.00 0.00 H new ATOM 0 HD12 ILE A 17 2.020 3.142 -15.837 1.00 0.00 H new ATOM 0 HD13 ILE A 17 0.719 4.322 -16.123 1.00 0.00 H new ATOM 279 N VAL A 18 -1.891 1.745 -11.765 1.00 0.00 N ATOM 280 CA VAL A 18 -2.614 0.497 -11.391 1.00 0.00 C ATOM 281 C VAL A 18 -3.847 0.335 -12.284 1.00 0.00 C ATOM 282 O VAL A 18 -4.459 1.300 -12.694 1.00 0.00 O ATOM 283 CB VAL A 18 -3.052 0.579 -9.928 1.00 0.00 C ATOM 284 CG1 VAL A 18 -1.819 0.718 -9.033 1.00 0.00 C ATOM 285 CG2 VAL A 18 -3.959 1.797 -9.737 1.00 0.00 C ATOM 0 H VAL A 18 -2.486 2.548 -11.967 1.00 0.00 H new ATOM 0 HA VAL A 18 -1.953 -0.359 -11.524 1.00 0.00 H new ATOM 0 HB VAL A 18 -3.595 -0.327 -9.660 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -2.131 0.776 -7.990 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -1.171 -0.147 -9.170 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -1.276 1.624 -9.300 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -4.272 1.857 -8.695 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -3.414 2.702 -10.005 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -4.837 1.700 -10.375 1.00 0.00 H new ATOM 295 N PHE A 19 -4.214 -0.880 -12.587 1.00 0.00 N ATOM 296 CA PHE A 19 -5.406 -1.103 -13.453 1.00 0.00 C ATOM 297 C PHE A 19 -6.668 -1.122 -12.588 1.00 0.00 C ATOM 298 O PHE A 19 -6.667 -1.630 -11.484 1.00 0.00 O ATOM 299 CB PHE A 19 -5.266 -2.441 -14.181 1.00 0.00 C ATOM 300 CG PHE A 19 -4.266 -2.302 -15.304 1.00 0.00 C ATOM 301 CD1 PHE A 19 -2.896 -2.254 -15.018 1.00 0.00 C ATOM 302 CD2 PHE A 19 -4.708 -2.219 -16.629 1.00 0.00 C ATOM 303 CE1 PHE A 19 -1.968 -2.124 -16.058 1.00 0.00 C ATOM 304 CE2 PHE A 19 -3.780 -2.090 -17.670 1.00 0.00 C ATOM 305 CZ PHE A 19 -2.410 -2.042 -17.384 1.00 0.00 C ATOM 0 H PHE A 19 -3.741 -1.727 -12.273 1.00 0.00 H new ATOM 0 HA PHE A 19 -5.479 -0.298 -14.185 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -4.941 -3.214 -13.484 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -6.232 -2.754 -14.577 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -2.555 -2.317 -13.995 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -5.765 -2.254 -16.849 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -0.911 -2.087 -15.838 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -4.121 -2.028 -18.693 1.00 0.00 H new ATOM 0 HZ PHE A 19 -1.694 -1.942 -18.186 1.00 0.00 H new ATOM 315 N ALA A 20 -7.744 -0.573 -13.080 1.00 0.00 N ATOM 316 CA ALA A 20 -9.005 -0.561 -12.285 1.00 0.00 C ATOM 317 C ALA A 20 -10.156 -1.080 -13.147 1.00 0.00 C ATOM 318 O ALA A 20 -9.955 -1.565 -14.243 1.00 0.00 O ATOM 319 CB ALA A 20 -9.308 0.870 -11.832 1.00 0.00 C ATOM 0 H ALA A 20 -7.805 -0.132 -13.998 1.00 0.00 H new ATOM 0 HA ALA A 20 -8.891 -1.202 -11.411 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -10.230 0.880 -11.251 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -8.487 1.238 -11.217 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -9.423 1.512 -12.706 1.00 0.00 H new ATOM 325 N ALA A 21 -11.364 -0.983 -12.663 1.00 0.00 N ATOM 326 CA ALA A 21 -12.527 -1.470 -13.456 1.00 0.00 C ATOM 327 C ALA A 21 -13.303 -0.274 -14.012 1.00 0.00 C ATOM 328 O ALA A 21 -13.024 0.211 -15.090 1.00 0.00 O ATOM 329 CB ALA A 21 -13.446 -2.300 -12.557 1.00 0.00 C ATOM 0 H ALA A 21 -11.595 -0.587 -11.752 1.00 0.00 H new ATOM 0 HA ALA A 21 -12.171 -2.087 -14.281 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -14.297 -2.657 -13.137 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -12.894 -3.152 -12.161 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -13.802 -1.683 -11.732 1.00 0.00 H new ATOM 335 N SER A 22 -14.274 0.205 -13.284 1.00 0.00 N ATOM 336 CA SER A 22 -15.066 1.370 -13.772 1.00 0.00 C ATOM 337 C SER A 22 -14.964 2.514 -12.762 1.00 0.00 C ATOM 338 O SER A 22 -14.442 2.353 -11.677 1.00 0.00 O ATOM 339 CB SER A 22 -16.529 0.960 -13.934 1.00 0.00 C ATOM 340 OG SER A 22 -16.639 0.019 -14.993 1.00 0.00 O ATOM 0 H SER A 22 -14.553 -0.159 -12.373 1.00 0.00 H new ATOM 0 HA SER A 22 -14.674 1.699 -14.734 1.00 0.00 H new ATOM 0 HB2 SER A 22 -16.902 0.526 -13.006 1.00 0.00 H new ATOM 0 HB3 SER A 22 -17.143 1.836 -14.145 1.00 0.00 H new ATOM 0 HG SER A 22 -17.576 -0.247 -15.098 1.00 0.00 H new ATOM 346 N GLU A 23 -15.460 3.671 -13.109 1.00 0.00 N ATOM 347 CA GLU A 23 -15.392 4.823 -12.168 1.00 0.00 C ATOM 348 C GLU A 23 -16.472 4.670 -11.094 1.00 0.00 C ATOM 349 O GLU A 23 -16.501 5.397 -10.121 1.00 0.00 O ATOM 350 CB GLU A 23 -15.620 6.125 -12.939 1.00 0.00 C ATOM 351 CG GLU A 23 -14.806 7.249 -12.297 1.00 0.00 C ATOM 352 CD GLU A 23 -13.427 7.325 -12.956 1.00 0.00 C ATOM 353 OE1 GLU A 23 -13.336 7.002 -14.129 1.00 0.00 O ATOM 354 OE2 GLU A 23 -12.487 7.702 -12.277 1.00 0.00 O ATOM 0 H GLU A 23 -15.909 3.867 -14.004 1.00 0.00 H new ATOM 0 HA GLU A 23 -14.410 4.848 -11.695 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -15.326 5.999 -13.981 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -16.679 6.381 -12.935 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -15.327 8.200 -12.410 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -14.700 7.069 -11.227 1.00 0.00 H new ATOM 361 N GLU A 24 -17.361 3.731 -11.264 1.00 0.00 N ATOM 362 CA GLU A 24 -18.438 3.533 -10.254 1.00 0.00 C ATOM 363 C GLU A 24 -17.923 2.636 -9.126 1.00 0.00 C ATOM 364 O GLU A 24 -17.976 2.990 -7.965 1.00 0.00 O ATOM 365 CB GLU A 24 -19.647 2.871 -10.920 1.00 0.00 C ATOM 366 CG GLU A 24 -20.832 2.880 -9.953 1.00 0.00 C ATOM 367 CD GLU A 24 -22.007 2.126 -10.577 1.00 0.00 C ATOM 368 OE1 GLU A 24 -22.676 2.702 -11.419 1.00 0.00 O ATOM 369 OE2 GLU A 24 -22.219 0.984 -10.202 1.00 0.00 O ATOM 0 H GLU A 24 -17.388 3.092 -12.059 1.00 0.00 H new ATOM 0 HA GLU A 24 -18.732 4.499 -9.844 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -19.907 3.402 -11.835 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -19.404 1.847 -11.204 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -20.548 2.415 -9.009 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -21.123 3.906 -9.728 1.00 0.00 H new ATOM 376 N LEU A 25 -17.426 1.476 -9.459 1.00 0.00 N ATOM 377 CA LEU A 25 -16.910 0.557 -8.405 1.00 0.00 C ATOM 378 C LEU A 25 -15.769 1.240 -7.646 1.00 0.00 C ATOM 379 O LEU A 25 -15.642 1.104 -6.446 1.00 0.00 O ATOM 380 CB LEU A 25 -16.391 -0.726 -9.058 1.00 0.00 C ATOM 381 CG LEU A 25 -17.510 -1.370 -9.877 1.00 0.00 C ATOM 382 CD1 LEU A 25 -16.909 -2.085 -11.089 1.00 0.00 C ATOM 383 CD2 LEU A 25 -18.259 -2.383 -9.009 1.00 0.00 C ATOM 0 H LEU A 25 -17.355 1.125 -10.414 1.00 0.00 H new ATOM 0 HA LEU A 25 -17.714 0.313 -7.710 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -15.539 -0.501 -9.700 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -16.040 -1.419 -8.294 1.00 0.00 H new ATOM 0 HG LEU A 25 -18.202 -0.599 -10.216 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -17.707 -2.544 -11.673 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -16.374 -1.365 -11.708 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -16.217 -2.856 -10.750 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -19.057 -2.842 -9.592 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -17.567 -3.154 -8.670 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -18.688 -1.875 -8.145 1.00 0.00 H new ATOM 395 N VAL A 26 -14.938 1.971 -8.338 1.00 0.00 N ATOM 396 CA VAL A 26 -13.807 2.660 -7.655 1.00 0.00 C ATOM 397 C VAL A 26 -14.358 3.691 -6.668 1.00 0.00 C ATOM 398 O VAL A 26 -14.049 3.667 -5.493 1.00 0.00 O ATOM 399 CB VAL A 26 -12.936 3.364 -8.696 1.00 0.00 C ATOM 400 CG1 VAL A 26 -11.881 4.216 -7.988 1.00 0.00 C ATOM 401 CG2 VAL A 26 -12.242 2.318 -9.571 1.00 0.00 C ATOM 0 H VAL A 26 -14.993 2.121 -9.345 1.00 0.00 H new ATOM 0 HA VAL A 26 -13.207 1.927 -7.116 1.00 0.00 H new ATOM 0 HB VAL A 26 -13.561 4.004 -9.319 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -11.260 4.718 -8.730 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -12.374 4.961 -7.364 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -11.256 3.577 -7.364 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -11.621 2.819 -10.313 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -11.617 1.678 -8.947 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -12.993 1.710 -10.076 1.00 0.00 H new ATOM 411 N ASP A 27 -15.169 4.600 -7.136 1.00 0.00 N ATOM 412 CA ASP A 27 -15.737 5.632 -6.224 1.00 0.00 C ATOM 413 C ASP A 27 -16.434 4.947 -5.047 1.00 0.00 C ATOM 414 O ASP A 27 -16.194 5.269 -3.899 1.00 0.00 O ATOM 415 CB ASP A 27 -16.751 6.486 -6.989 1.00 0.00 C ATOM 416 CG ASP A 27 -16.653 7.938 -6.521 1.00 0.00 C ATOM 417 OD1 ASP A 27 -16.423 8.145 -5.340 1.00 0.00 O ATOM 418 OD2 ASP A 27 -16.809 8.820 -7.350 1.00 0.00 O ATOM 0 H ASP A 27 -15.463 4.672 -8.110 1.00 0.00 H new ATOM 0 HA ASP A 27 -14.934 6.267 -5.850 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -16.559 6.425 -8.060 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -17.760 6.107 -6.824 1.00 0.00 H new ATOM 423 N GLU A 28 -17.294 4.006 -5.319 1.00 0.00 N ATOM 424 CA GLU A 28 -18.005 3.303 -4.215 1.00 0.00 C ATOM 425 C GLU A 28 -16.985 2.778 -3.202 1.00 0.00 C ATOM 426 O GLU A 28 -17.257 2.692 -2.021 1.00 0.00 O ATOM 427 CB GLU A 28 -18.804 2.130 -4.788 1.00 0.00 C ATOM 428 CG GLU A 28 -20.256 2.558 -5.005 1.00 0.00 C ATOM 429 CD GLU A 28 -21.101 1.336 -5.371 1.00 0.00 C ATOM 430 OE1 GLU A 28 -21.131 0.990 -6.541 1.00 0.00 O ATOM 431 OE2 GLU A 28 -21.702 0.767 -4.476 1.00 0.00 O ATOM 0 H GLU A 28 -17.536 3.693 -6.259 1.00 0.00 H new ATOM 0 HA GLU A 28 -18.683 3.998 -3.720 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -18.365 1.804 -5.731 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -18.762 1.281 -4.106 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -20.647 3.026 -4.101 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -20.312 3.303 -5.799 1.00 0.00 H new ATOM 438 N TYR A 29 -15.812 2.425 -3.655 1.00 0.00 N ATOM 439 CA TYR A 29 -14.778 1.906 -2.716 1.00 0.00 C ATOM 440 C TYR A 29 -14.313 3.036 -1.793 1.00 0.00 C ATOM 441 O TYR A 29 -14.130 2.845 -0.608 1.00 0.00 O ATOM 442 CB TYR A 29 -13.585 1.378 -3.515 1.00 0.00 C ATOM 443 CG TYR A 29 -12.593 0.737 -2.573 1.00 0.00 C ATOM 444 CD1 TYR A 29 -12.858 -0.526 -2.031 1.00 0.00 C ATOM 445 CD2 TYR A 29 -11.409 1.407 -2.243 1.00 0.00 C ATOM 446 CE1 TYR A 29 -11.939 -1.120 -1.158 1.00 0.00 C ATOM 447 CE2 TYR A 29 -10.490 0.813 -1.369 1.00 0.00 C ATOM 448 CZ TYR A 29 -10.754 -0.450 -0.827 1.00 0.00 C ATOM 449 OH TYR A 29 -9.849 -1.036 0.034 1.00 0.00 O ATOM 0 H TYR A 29 -15.526 2.474 -4.633 1.00 0.00 H new ATOM 0 HA TYR A 29 -15.202 1.099 -2.118 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -13.922 0.652 -4.255 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -13.110 2.193 -4.061 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -13.772 -1.042 -2.286 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -11.204 2.381 -2.662 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -12.143 -2.095 -0.740 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -9.577 1.330 -1.113 1.00 0.00 H new ATOM 0 HH TYR A 29 -10.165 -1.930 0.281 1.00 0.00 H new ATOM 459 N LEU A 30 -14.119 4.209 -2.328 1.00 0.00 N ATOM 460 CA LEU A 30 -13.666 5.348 -1.481 1.00 0.00 C ATOM 461 C LEU A 30 -14.703 5.618 -0.388 1.00 0.00 C ATOM 462 O LEU A 30 -14.399 6.179 0.645 1.00 0.00 O ATOM 463 CB LEU A 30 -13.505 6.598 -2.350 1.00 0.00 C ATOM 464 CG LEU A 30 -12.667 6.258 -3.583 1.00 0.00 C ATOM 465 CD1 LEU A 30 -12.480 7.513 -4.436 1.00 0.00 C ATOM 466 CD2 LEU A 30 -11.299 5.734 -3.140 1.00 0.00 C ATOM 0 H LEU A 30 -14.254 4.428 -3.315 1.00 0.00 H new ATOM 0 HA LEU A 30 -12.710 5.099 -1.021 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -14.483 6.971 -2.654 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -13.024 7.392 -1.778 1.00 0.00 H new ATOM 0 HG LEU A 30 -13.177 5.494 -4.169 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -11.883 7.270 -5.315 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -13.454 7.887 -4.752 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -11.970 8.278 -3.851 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -10.701 5.491 -4.018 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -10.789 6.498 -2.553 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -11.432 4.839 -2.532 1.00 0.00 H new ATOM 478 N LYS A 31 -15.927 5.223 -0.609 1.00 0.00 N ATOM 479 CA LYS A 31 -16.982 5.458 0.418 1.00 0.00 C ATOM 480 C LYS A 31 -17.052 4.257 1.363 1.00 0.00 C ATOM 481 O LYS A 31 -17.787 4.260 2.331 1.00 0.00 O ATOM 482 CB LYS A 31 -18.335 5.642 -0.275 1.00 0.00 C ATOM 483 CG LYS A 31 -18.232 6.768 -1.305 1.00 0.00 C ATOM 484 CD LYS A 31 -19.567 6.911 -2.040 1.00 0.00 C ATOM 485 CE LYS A 31 -19.389 7.836 -3.246 1.00 0.00 C ATOM 486 NZ LYS A 31 -20.584 8.716 -3.376 1.00 0.00 N ATOM 0 H LYS A 31 -16.242 4.748 -1.455 1.00 0.00 H new ATOM 0 HA LYS A 31 -16.740 6.355 0.989 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -18.635 4.715 -0.763 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -19.104 5.877 0.461 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -17.975 7.705 -0.811 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -17.434 6.553 -2.016 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -19.921 5.933 -2.367 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -20.323 7.315 -1.367 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -18.490 8.441 -3.125 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -19.257 7.247 -4.154 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -20.464 9.345 -4.195 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -21.433 8.131 -3.510 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -20.690 9.287 -2.513 1.00 0.00 H new ATOM 500 N ASN A 32 -16.294 3.230 1.092 1.00 0.00 N ATOM 501 CA ASN A 32 -16.319 2.033 1.977 1.00 0.00 C ATOM 502 C ASN A 32 -15.144 1.116 1.632 1.00 0.00 C ATOM 503 O ASN A 32 -15.318 0.055 1.067 1.00 0.00 O ATOM 504 CB ASN A 32 -17.633 1.275 1.774 1.00 0.00 C ATOM 505 CG ASN A 32 -17.780 0.207 2.858 1.00 0.00 C ATOM 506 OD1 ASN A 32 -17.003 0.160 3.791 1.00 0.00 O ATOM 507 ND2 ASN A 32 -18.752 -0.660 2.776 1.00 0.00 N ATOM 0 H ASN A 32 -15.659 3.169 0.296 1.00 0.00 H new ATOM 0 HA ASN A 32 -16.239 2.350 3.017 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -18.474 1.967 1.814 1.00 0.00 H new ATOM 0 HB3 ASN A 32 -17.649 0.811 0.788 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -18.859 -1.376 3.495 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -19.405 -0.622 1.993 1.00 0.00 H new ATOM 514 N PRO A 33 -13.954 1.530 1.973 1.00 0.00 N ATOM 515 CA PRO A 33 -12.717 0.744 1.702 1.00 0.00 C ATOM 516 C PRO A 33 -12.564 -0.444 2.656 1.00 0.00 C ATOM 517 O PRO A 33 -12.837 -0.343 3.836 1.00 0.00 O ATOM 518 CB PRO A 33 -11.592 1.755 1.922 1.00 0.00 C ATOM 519 CG PRO A 33 -12.145 2.761 2.877 1.00 0.00 C ATOM 520 CD PRO A 33 -13.660 2.798 2.657 1.00 0.00 C ATOM 0 HA PRO A 33 -12.723 0.309 0.703 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -10.704 1.272 2.330 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -11.297 2.225 0.984 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -11.911 2.486 3.906 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -11.705 3.743 2.701 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -14.198 2.875 3.602 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -13.954 3.655 2.051 1.00 0.00 H new ATOM 528 N SER A 34 -12.129 -1.567 2.156 1.00 0.00 N ATOM 529 CA SER A 34 -11.959 -2.757 3.036 1.00 0.00 C ATOM 530 C SER A 34 -11.017 -3.758 2.364 1.00 0.00 C ATOM 531 O SER A 34 -9.972 -3.399 1.858 1.00 0.00 O ATOM 532 CB SER A 34 -13.319 -3.417 3.271 1.00 0.00 C ATOM 533 OG SER A 34 -14.274 -2.417 3.599 1.00 0.00 O ATOM 0 H SER A 34 -11.884 -1.712 1.177 1.00 0.00 H new ATOM 0 HA SER A 34 -11.537 -2.444 3.991 1.00 0.00 H new ATOM 0 HB2 SER A 34 -13.633 -3.958 2.378 1.00 0.00 H new ATOM 0 HB3 SER A 34 -13.248 -4.147 4.077 1.00 0.00 H new ATOM 0 HG SER A 34 -13.831 -1.686 4.079 1.00 0.00 H new ATOM 539 N ILE A 35 -11.379 -5.012 2.352 1.00 0.00 N ATOM 540 CA ILE A 35 -10.504 -6.034 1.713 1.00 0.00 C ATOM 541 C ILE A 35 -11.358 -6.971 0.856 1.00 0.00 C ATOM 542 O ILE A 35 -10.926 -8.039 0.467 1.00 0.00 O ATOM 543 CB ILE A 35 -9.789 -6.843 2.797 1.00 0.00 C ATOM 544 CG1 ILE A 35 -8.554 -7.519 2.195 1.00 0.00 C ATOM 545 CG2 ILE A 35 -10.735 -7.910 3.347 1.00 0.00 C ATOM 546 CD1 ILE A 35 -7.346 -6.592 2.333 1.00 0.00 C ATOM 0 H ILE A 35 -12.243 -5.372 2.757 1.00 0.00 H new ATOM 0 HA ILE A 35 -9.765 -5.538 1.084 1.00 0.00 H new ATOM 0 HB ILE A 35 -9.484 -6.178 3.605 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -8.360 -8.464 2.702 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -8.729 -7.751 1.145 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -10.225 -8.486 4.119 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -11.615 -7.430 3.774 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -11.041 -8.576 2.540 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -6.467 -7.073 1.904 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -7.542 -5.658 1.806 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -7.167 -6.382 3.388 1.00 0.00 H new ATOM 558 N GLY A 36 -12.567 -6.581 0.559 1.00 0.00 N ATOM 559 CA GLY A 36 -13.448 -7.451 -0.272 1.00 0.00 C ATOM 560 C GLY A 36 -13.697 -6.781 -1.625 1.00 0.00 C ATOM 561 O GLY A 36 -13.042 -7.075 -2.604 1.00 0.00 O ATOM 0 H GLY A 36 -12.983 -5.698 0.855 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -12.982 -8.426 -0.417 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -14.395 -7.623 0.240 1.00 0.00 H new ATOM 565 N LYS A 37 -14.641 -5.881 -1.687 1.00 0.00 N ATOM 566 CA LYS A 37 -14.931 -5.194 -2.977 1.00 0.00 C ATOM 567 C LYS A 37 -13.617 -4.772 -3.637 1.00 0.00 C ATOM 568 O LYS A 37 -13.546 -4.576 -4.834 1.00 0.00 O ATOM 569 CB LYS A 37 -15.790 -3.956 -2.715 1.00 0.00 C ATOM 570 CG LYS A 37 -15.685 -2.999 -3.904 1.00 0.00 C ATOM 571 CD LYS A 37 -16.774 -1.930 -3.796 1.00 0.00 C ATOM 572 CE LYS A 37 -17.855 -2.195 -4.845 1.00 0.00 C ATOM 573 NZ LYS A 37 -18.979 -1.234 -4.655 1.00 0.00 N ATOM 0 H LYS A 37 -15.223 -5.592 -0.901 1.00 0.00 H new ATOM 0 HA LYS A 37 -15.468 -5.875 -3.638 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -16.829 -4.248 -2.560 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -15.460 -3.458 -1.804 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -14.701 -2.530 -3.922 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -15.793 -3.550 -4.838 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -17.211 -1.940 -2.797 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -16.343 -0.940 -3.945 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -17.438 -2.090 -5.847 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -18.219 -3.219 -4.757 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -19.885 -1.736 -4.749 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -18.916 -0.808 -3.708 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -18.922 -0.486 -5.375 1.00 0.00 H new ATOM 587 N LEU A 38 -12.573 -4.629 -2.865 1.00 0.00 N ATOM 588 CA LEU A 38 -11.266 -4.219 -3.448 1.00 0.00 C ATOM 589 C LEU A 38 -10.949 -5.098 -4.660 1.00 0.00 C ATOM 590 O LEU A 38 -10.842 -4.623 -5.773 1.00 0.00 O ATOM 591 CB LEU A 38 -10.165 -4.383 -2.398 1.00 0.00 C ATOM 592 CG LEU A 38 -8.838 -3.879 -2.966 1.00 0.00 C ATOM 593 CD1 LEU A 38 -8.678 -2.391 -2.647 1.00 0.00 C ATOM 594 CD2 LEU A 38 -7.684 -4.661 -2.334 1.00 0.00 C ATOM 0 H LEU A 38 -12.570 -4.779 -1.856 1.00 0.00 H new ATOM 0 HA LEU A 38 -11.319 -3.176 -3.760 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -10.422 -3.826 -1.497 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -10.075 -5.431 -2.111 1.00 0.00 H new ATOM 0 HG LEU A 38 -8.828 -4.022 -4.046 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -7.732 -2.032 -3.052 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -9.500 -1.832 -3.095 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -8.688 -2.247 -1.567 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -6.737 -4.303 -2.738 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -7.695 -4.517 -1.254 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -7.797 -5.721 -2.559 1.00 0.00 H new ATOM 606 N SER A 39 -10.800 -6.378 -4.453 1.00 0.00 N ATOM 607 CA SER A 39 -10.489 -7.286 -5.594 1.00 0.00 C ATOM 608 C SER A 39 -11.441 -6.989 -6.755 1.00 0.00 C ATOM 609 O SER A 39 -11.026 -6.849 -7.889 1.00 0.00 O ATOM 610 CB SER A 39 -10.665 -8.738 -5.151 1.00 0.00 C ATOM 611 OG SER A 39 -9.720 -9.554 -5.830 1.00 0.00 O ATOM 0 H SER A 39 -10.880 -6.834 -3.544 1.00 0.00 H new ATOM 0 HA SER A 39 -9.460 -7.126 -5.917 1.00 0.00 H new ATOM 0 HB2 SER A 39 -10.526 -8.821 -4.073 1.00 0.00 H new ATOM 0 HB3 SER A 39 -11.678 -9.076 -5.369 1.00 0.00 H new ATOM 0 HG SER A 39 -8.824 -9.171 -5.728 1.00 0.00 H new ATOM 617 N GLU A 40 -12.713 -6.890 -6.483 1.00 0.00 N ATOM 618 CA GLU A 40 -13.688 -6.603 -7.572 1.00 0.00 C ATOM 619 C GLU A 40 -13.232 -5.368 -8.352 1.00 0.00 C ATOM 620 O GLU A 40 -13.507 -5.227 -9.528 1.00 0.00 O ATOM 621 CB GLU A 40 -15.068 -6.341 -6.966 1.00 0.00 C ATOM 622 CG GLU A 40 -15.712 -7.672 -6.570 1.00 0.00 C ATOM 623 CD GLU A 40 -16.500 -8.232 -7.755 1.00 0.00 C ATOM 624 OE1 GLU A 40 -15.874 -8.624 -8.726 1.00 0.00 O ATOM 625 OE2 GLU A 40 -17.717 -8.259 -7.672 1.00 0.00 O ATOM 0 H GLU A 40 -13.119 -6.996 -5.553 1.00 0.00 H new ATOM 0 HA GLU A 40 -13.743 -7.459 -8.245 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -14.977 -5.695 -6.093 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -15.699 -5.819 -7.685 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -14.944 -8.382 -6.262 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -16.373 -7.528 -5.716 1.00 0.00 H new ATOM 632 N VAL A 41 -12.536 -4.471 -7.707 1.00 0.00 N ATOM 633 CA VAL A 41 -12.064 -3.247 -8.414 1.00 0.00 C ATOM 634 C VAL A 41 -10.719 -3.533 -9.086 1.00 0.00 C ATOM 635 O VAL A 41 -10.555 -3.338 -10.274 1.00 0.00 O ATOM 636 CB VAL A 41 -11.897 -2.108 -7.406 1.00 0.00 C ATOM 637 CG1 VAL A 41 -11.553 -0.815 -8.147 1.00 0.00 C ATOM 638 CG2 VAL A 41 -13.204 -1.919 -6.630 1.00 0.00 C ATOM 0 H VAL A 41 -12.275 -4.533 -6.723 1.00 0.00 H new ATOM 0 HA VAL A 41 -12.795 -2.960 -9.170 1.00 0.00 H new ATOM 0 HB VAL A 41 -11.093 -2.353 -6.712 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -11.434 -0.004 -7.428 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -10.623 -0.949 -8.700 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -12.356 -0.569 -8.842 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -13.086 -1.108 -5.911 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -14.008 -1.675 -7.325 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -13.449 -2.840 -6.101 1.00 0.00 H new ATOM 648 N VAL A 42 -9.756 -3.993 -8.335 1.00 0.00 N ATOM 649 CA VAL A 42 -8.425 -4.291 -8.933 1.00 0.00 C ATOM 650 C VAL A 42 -8.415 -5.724 -9.470 1.00 0.00 C ATOM 651 O VAL A 42 -8.495 -6.678 -8.722 1.00 0.00 O ATOM 652 CB VAL A 42 -7.341 -4.141 -7.863 1.00 0.00 C ATOM 653 CG1 VAL A 42 -5.961 -4.248 -8.515 1.00 0.00 C ATOM 654 CG2 VAL A 42 -7.480 -2.776 -7.186 1.00 0.00 C ATOM 0 H VAL A 42 -9.834 -4.175 -7.334 1.00 0.00 H new ATOM 0 HA VAL A 42 -8.230 -3.596 -9.750 1.00 0.00 H new ATOM 0 HB VAL A 42 -7.453 -4.930 -7.119 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -5.189 -4.141 -7.753 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -5.861 -5.220 -8.999 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -5.848 -3.459 -9.259 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -6.709 -2.668 -6.424 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -7.368 -1.988 -7.930 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -8.463 -2.699 -6.721 1.00 0.00 H new ATOM 664 N GLU A 43 -8.320 -5.882 -10.762 1.00 0.00 N ATOM 665 CA GLU A 43 -8.305 -7.253 -11.346 1.00 0.00 C ATOM 666 C GLU A 43 -6.909 -7.860 -11.190 1.00 0.00 C ATOM 667 O GLU A 43 -6.758 -9.012 -10.839 1.00 0.00 O ATOM 668 CB GLU A 43 -8.668 -7.180 -12.830 1.00 0.00 C ATOM 669 CG GLU A 43 -9.481 -8.416 -13.219 1.00 0.00 C ATOM 670 CD GLU A 43 -10.939 -8.222 -12.798 1.00 0.00 C ATOM 671 OE1 GLU A 43 -11.185 -7.376 -11.955 1.00 0.00 O ATOM 672 OE2 GLU A 43 -11.786 -8.924 -13.328 1.00 0.00 O ATOM 0 H GLU A 43 -8.252 -5.121 -11.438 1.00 0.00 H new ATOM 0 HA GLU A 43 -9.031 -7.877 -10.825 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -9.243 -6.276 -13.030 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -7.763 -7.122 -13.434 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -9.421 -8.580 -14.295 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -9.067 -9.302 -12.738 1.00 0.00 H new ATOM 679 N LEU A 44 -5.887 -7.092 -11.451 1.00 0.00 N ATOM 680 CA LEU A 44 -4.502 -7.625 -11.320 1.00 0.00 C ATOM 681 C LEU A 44 -3.806 -6.950 -10.136 1.00 0.00 C ATOM 682 O LEU A 44 -3.568 -5.759 -10.141 1.00 0.00 O ATOM 683 CB LEU A 44 -3.720 -7.337 -12.603 1.00 0.00 C ATOM 684 CG LEU A 44 -2.775 -8.503 -12.898 1.00 0.00 C ATOM 685 CD1 LEU A 44 -3.540 -9.609 -13.626 1.00 0.00 C ATOM 686 CD2 LEU A 44 -1.624 -8.015 -13.780 1.00 0.00 C ATOM 0 H LEU A 44 -5.951 -6.119 -11.749 1.00 0.00 H new ATOM 0 HA LEU A 44 -4.542 -8.701 -11.153 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -4.408 -7.193 -13.436 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -3.152 -6.413 -12.495 1.00 0.00 H new ATOM 0 HG LEU A 44 -2.376 -8.893 -11.961 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -2.866 -10.440 -13.836 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -4.361 -9.957 -12.999 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -3.939 -9.220 -14.563 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -0.950 -8.845 -13.991 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -2.023 -7.625 -14.716 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -1.078 -7.227 -13.262 1.00 0.00 H new ATOM 698 N PHE A 45 -3.476 -7.702 -9.121 1.00 0.00 N ATOM 699 CA PHE A 45 -2.797 -7.103 -7.940 1.00 0.00 C ATOM 700 C PHE A 45 -1.342 -6.786 -8.295 1.00 0.00 C ATOM 701 O PHE A 45 -0.421 -7.372 -7.760 1.00 0.00 O ATOM 702 CB PHE A 45 -2.832 -8.092 -6.773 1.00 0.00 C ATOM 703 CG PHE A 45 -4.222 -8.126 -6.184 1.00 0.00 C ATOM 704 CD1 PHE A 45 -4.744 -6.990 -5.555 1.00 0.00 C ATOM 705 CD2 PHE A 45 -4.990 -9.295 -6.267 1.00 0.00 C ATOM 706 CE1 PHE A 45 -6.033 -7.021 -5.009 1.00 0.00 C ATOM 707 CE2 PHE A 45 -6.278 -9.326 -5.721 1.00 0.00 C ATOM 708 CZ PHE A 45 -6.800 -8.190 -5.092 1.00 0.00 C ATOM 0 H PHE A 45 -3.648 -8.706 -9.060 1.00 0.00 H new ATOM 0 HA PHE A 45 -3.311 -6.185 -7.654 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -2.546 -9.086 -7.116 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -2.110 -7.798 -6.011 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -4.152 -6.089 -5.491 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -4.588 -10.172 -6.752 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -6.436 -6.144 -4.524 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -6.870 -10.227 -5.785 1.00 0.00 H new ATOM 0 HZ PHE A 45 -7.794 -8.215 -4.671 1.00 0.00 H new ATOM 718 N GLU A 46 -1.128 -5.864 -9.194 1.00 0.00 N ATOM 719 CA GLU A 46 0.267 -5.513 -9.581 1.00 0.00 C ATOM 720 C GLU A 46 0.358 -4.010 -9.850 1.00 0.00 C ATOM 721 O GLU A 46 -0.631 -3.304 -9.829 1.00 0.00 O ATOM 722 CB GLU A 46 0.653 -6.281 -10.848 1.00 0.00 C ATOM 723 CG GLU A 46 2.075 -6.827 -10.701 1.00 0.00 C ATOM 724 CD GLU A 46 2.029 -8.192 -10.012 1.00 0.00 C ATOM 725 OE1 GLU A 46 1.079 -8.920 -10.245 1.00 0.00 O ATOM 726 OE2 GLU A 46 2.947 -8.486 -9.263 1.00 0.00 O ATOM 0 H GLU A 46 -1.858 -5.340 -9.676 1.00 0.00 H new ATOM 0 HA GLU A 46 0.947 -5.780 -8.772 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -0.047 -7.100 -11.017 1.00 0.00 H new ATOM 0 HB3 GLU A 46 0.592 -5.625 -11.716 1.00 0.00 H new ATOM 0 HG2 GLU A 46 2.544 -6.918 -11.681 1.00 0.00 H new ATOM 0 HG3 GLU A 46 2.683 -6.135 -10.119 1.00 0.00 H new ATOM 733 N VAL A 47 1.538 -3.514 -10.103 1.00 0.00 N ATOM 734 CA VAL A 47 1.692 -2.057 -10.373 1.00 0.00 C ATOM 735 C VAL A 47 2.604 -1.857 -11.585 1.00 0.00 C ATOM 736 O VAL A 47 3.696 -2.388 -11.648 1.00 0.00 O ATOM 737 CB VAL A 47 2.311 -1.373 -9.151 1.00 0.00 C ATOM 738 CG1 VAL A 47 2.492 0.118 -9.436 1.00 0.00 C ATOM 739 CG2 VAL A 47 1.385 -1.553 -7.946 1.00 0.00 C ATOM 0 H VAL A 47 2.402 -4.055 -10.134 1.00 0.00 H new ATOM 0 HA VAL A 47 0.714 -1.620 -10.577 1.00 0.00 H new ATOM 0 HB VAL A 47 3.281 -1.821 -8.936 1.00 0.00 H new ATOM 0 HG11 VAL A 47 2.933 0.604 -8.566 1.00 0.00 H new ATOM 0 HG12 VAL A 47 3.150 0.247 -10.295 1.00 0.00 H new ATOM 0 HG13 VAL A 47 1.523 0.568 -9.651 1.00 0.00 H new ATOM 0 HG21 VAL A 47 1.823 -1.067 -7.074 1.00 0.00 H new ATOM 0 HG22 VAL A 47 0.415 -1.105 -8.162 1.00 0.00 H new ATOM 0 HG23 VAL A 47 1.256 -2.616 -7.742 1.00 0.00 H new ATOM 749 N PHE A 48 2.168 -1.095 -12.550 1.00 0.00 N ATOM 750 CA PHE A 48 3.010 -0.863 -13.757 1.00 0.00 C ATOM 751 C PHE A 48 3.630 0.534 -13.686 1.00 0.00 C ATOM 752 O PHE A 48 3.079 1.439 -13.090 1.00 0.00 O ATOM 753 CB PHE A 48 2.143 -0.973 -15.012 1.00 0.00 C ATOM 754 CG PHE A 48 1.712 -2.408 -15.203 1.00 0.00 C ATOM 755 CD1 PHE A 48 0.802 -2.989 -14.312 1.00 0.00 C ATOM 756 CD2 PHE A 48 2.222 -3.156 -16.271 1.00 0.00 C ATOM 757 CE1 PHE A 48 0.402 -4.319 -14.488 1.00 0.00 C ATOM 758 CE2 PHE A 48 1.822 -4.485 -16.447 1.00 0.00 C ATOM 759 CZ PHE A 48 0.912 -5.068 -15.556 1.00 0.00 C ATOM 0 H PHE A 48 1.264 -0.623 -12.555 1.00 0.00 H new ATOM 0 HA PHE A 48 3.803 -1.610 -13.796 1.00 0.00 H new ATOM 0 HB2 PHE A 48 1.269 -0.329 -14.920 1.00 0.00 H new ATOM 0 HB3 PHE A 48 2.701 -0.631 -15.884 1.00 0.00 H new ATOM 0 HD1 PHE A 48 0.408 -2.411 -13.489 1.00 0.00 H new ATOM 0 HD2 PHE A 48 2.924 -2.707 -16.959 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -0.300 -4.767 -13.800 1.00 0.00 H new ATOM 0 HE2 PHE A 48 2.215 -5.062 -17.271 1.00 0.00 H new ATOM 0 HZ PHE A 48 0.604 -6.094 -15.692 1.00 0.00 H new ATOM 769 N THR A 49 4.772 0.718 -14.291 1.00 0.00 N ATOM 770 CA THR A 49 5.425 2.056 -14.258 1.00 0.00 C ATOM 771 C THR A 49 5.845 2.452 -15.675 1.00 0.00 C ATOM 772 O THR A 49 6.136 1.613 -16.504 1.00 0.00 O ATOM 773 CB THR A 49 6.661 1.999 -13.357 1.00 0.00 C ATOM 774 OG1 THR A 49 7.825 1.857 -14.160 1.00 0.00 O ATOM 775 CG2 THR A 49 6.547 0.808 -12.405 1.00 0.00 C ATOM 0 H THR A 49 5.280 -0.001 -14.806 1.00 0.00 H new ATOM 0 HA THR A 49 4.724 2.793 -13.866 1.00 0.00 H new ATOM 0 HB THR A 49 6.730 2.919 -12.777 1.00 0.00 H new ATOM 0 HG1 THR A 49 8.617 1.822 -13.584 1.00 0.00 H new ATOM 0 HG21 THR A 49 7.428 0.769 -11.764 1.00 0.00 H new ATOM 0 HG22 THR A 49 5.655 0.919 -11.789 1.00 0.00 H new ATOM 0 HG23 THR A 49 6.477 -0.114 -12.982 1.00 0.00 H new ATOM 783 N PRO A 50 5.876 3.729 -15.947 1.00 0.00 N ATOM 784 CA PRO A 50 6.265 4.262 -17.284 1.00 0.00 C ATOM 785 C PRO A 50 7.764 4.103 -17.556 1.00 0.00 C ATOM 786 O PRO A 50 8.589 4.330 -16.693 1.00 0.00 O ATOM 787 CB PRO A 50 5.889 5.743 -17.212 1.00 0.00 C ATOM 788 CG PRO A 50 5.893 6.086 -15.759 1.00 0.00 C ATOM 789 CD PRO A 50 5.540 4.805 -15.002 1.00 0.00 C ATOM 0 HA PRO A 50 5.767 3.727 -18.093 1.00 0.00 H new ATOM 0 HB2 PRO A 50 6.603 6.356 -17.762 1.00 0.00 H new ATOM 0 HB3 PRO A 50 4.909 5.921 -17.654 1.00 0.00 H new ATOM 0 HG2 PRO A 50 6.870 6.459 -15.453 1.00 0.00 H new ATOM 0 HG3 PRO A 50 5.170 6.873 -15.546 1.00 0.00 H new ATOM 0 HD2 PRO A 50 6.111 4.717 -14.078 1.00 0.00 H new ATOM 0 HD3 PRO A 50 4.485 4.781 -14.728 1.00 0.00 H new ATOM 911 N LEU A 60 5.447 -1.561 -20.987 1.00 0.00 N ATOM 912 CA LEU A 60 5.746 -0.938 -19.666 1.00 0.00 C ATOM 913 C LEU A 60 6.622 -1.885 -18.843 1.00 0.00 C ATOM 914 O LEU A 60 7.131 -2.867 -19.343 1.00 0.00 O ATOM 915 CB LEU A 60 4.438 -0.675 -18.919 1.00 0.00 C ATOM 916 CG LEU A 60 3.673 0.456 -19.608 1.00 0.00 C ATOM 917 CD1 LEU A 60 2.172 0.266 -19.388 1.00 0.00 C ATOM 918 CD2 LEU A 60 4.109 1.800 -19.018 1.00 0.00 C ATOM 0 HA LEU A 60 6.273 0.004 -19.819 1.00 0.00 H new ATOM 0 HB2 LEU A 60 3.830 -1.580 -18.899 1.00 0.00 H new ATOM 0 HB3 LEU A 60 4.646 -0.408 -17.883 1.00 0.00 H new ATOM 0 HG LEU A 60 3.888 0.441 -20.677 1.00 0.00 H new ATOM 0 HD11 LEU A 60 1.627 1.072 -19.879 1.00 0.00 H new ATOM 0 HD12 LEU A 60 1.861 -0.691 -19.808 1.00 0.00 H new ATOM 0 HD13 LEU A 60 1.956 0.281 -18.320 1.00 0.00 H new ATOM 0 HD21 LEU A 60 3.564 2.607 -19.509 1.00 0.00 H new ATOM 0 HD22 LEU A 60 3.895 1.815 -17.949 1.00 0.00 H new ATOM 0 HD23 LEU A 60 5.179 1.937 -19.175 1.00 0.00 H new ATOM 930 N GLY A 61 6.803 -1.595 -17.584 1.00 0.00 N ATOM 931 CA GLY A 61 7.646 -2.479 -16.729 1.00 0.00 C ATOM 932 C GLY A 61 6.996 -2.632 -15.353 1.00 0.00 C ATOM 933 O GLY A 61 6.029 -1.969 -15.035 1.00 0.00 O ATOM 0 H GLY A 61 6.404 -0.785 -17.110 1.00 0.00 H new ATOM 0 HA2 GLY A 61 7.760 -3.456 -17.199 1.00 0.00 H new ATOM 0 HA3 GLY A 61 8.645 -2.056 -16.625 1.00 0.00 H new ATOM 937 N ALA A 62 7.521 -3.500 -14.533 1.00 0.00 N ATOM 938 CA ALA A 62 6.932 -3.694 -13.178 1.00 0.00 C ATOM 939 C ALA A 62 7.743 -2.899 -12.151 1.00 0.00 C ATOM 940 O ALA A 62 8.908 -2.619 -12.348 1.00 0.00 O ATOM 941 CB ALA A 62 6.967 -5.180 -12.815 1.00 0.00 C ATOM 0 H ALA A 62 8.332 -4.083 -14.742 1.00 0.00 H new ATOM 0 HA ALA A 62 5.900 -3.344 -13.177 1.00 0.00 H new ATOM 0 HB1 ALA A 62 6.536 -5.323 -11.824 1.00 0.00 H new ATOM 0 HB2 ALA A 62 6.391 -5.747 -13.546 1.00 0.00 H new ATOM 0 HB3 ALA A 62 7.999 -5.531 -12.816 1.00 0.00 H new ATOM 947 N ALA A 63 7.134 -2.533 -11.056 1.00 0.00 N ATOM 948 CA ALA A 63 7.870 -1.757 -10.020 1.00 0.00 C ATOM 949 C ALA A 63 8.754 -2.705 -9.204 1.00 0.00 C ATOM 950 O ALA A 63 8.323 -3.759 -8.781 1.00 0.00 O ATOM 951 CB ALA A 63 6.869 -1.067 -9.091 1.00 0.00 C ATOM 0 H ALA A 63 6.160 -2.738 -10.835 1.00 0.00 H new ATOM 0 HA ALA A 63 8.493 -1.005 -10.504 1.00 0.00 H new ATOM 0 HB1 ALA A 63 7.408 -0.499 -8.333 1.00 0.00 H new ATOM 0 HB2 ALA A 63 6.240 -0.392 -9.671 1.00 0.00 H new ATOM 0 HB3 ALA A 63 6.245 -1.818 -8.606 1.00 0.00 H new ATOM 957 N SER A 64 9.986 -2.338 -8.982 1.00 0.00 N ATOM 958 CA SER A 64 10.893 -3.219 -8.194 1.00 0.00 C ATOM 959 C SER A 64 10.570 -3.084 -6.705 1.00 0.00 C ATOM 960 O SER A 64 9.826 -2.213 -6.298 1.00 0.00 O ATOM 961 CB SER A 64 12.345 -2.805 -8.440 1.00 0.00 C ATOM 962 OG SER A 64 12.956 -3.736 -9.321 1.00 0.00 O ATOM 0 H SER A 64 10.403 -1.468 -9.312 1.00 0.00 H new ATOM 0 HA SER A 64 10.752 -4.255 -8.503 1.00 0.00 H new ATOM 0 HB2 SER A 64 12.382 -1.803 -8.868 1.00 0.00 H new ATOM 0 HB3 SER A 64 12.890 -2.768 -7.496 1.00 0.00 H new ATOM 0 HG SER A 64 13.886 -3.472 -9.482 1.00 0.00 H new ATOM 968 N LYS A 65 11.121 -3.939 -5.889 1.00 0.00 N ATOM 969 CA LYS A 65 10.843 -3.861 -4.427 1.00 0.00 C ATOM 970 C LYS A 65 11.234 -2.474 -3.907 1.00 0.00 C ATOM 971 O LYS A 65 10.396 -1.701 -3.486 1.00 0.00 O ATOM 972 CB LYS A 65 11.660 -4.927 -3.694 1.00 0.00 C ATOM 973 CG LYS A 65 11.217 -4.995 -2.231 1.00 0.00 C ATOM 974 CD LYS A 65 11.749 -6.280 -1.595 1.00 0.00 C ATOM 975 CE LYS A 65 10.950 -6.591 -0.328 1.00 0.00 C ATOM 976 NZ LYS A 65 11.598 -7.717 0.403 1.00 0.00 N ATOM 0 H LYS A 65 11.752 -4.689 -6.171 1.00 0.00 H new ATOM 0 HA LYS A 65 9.781 -4.031 -4.250 1.00 0.00 H new ATOM 0 HB2 LYS A 65 11.523 -5.897 -4.172 1.00 0.00 H new ATOM 0 HB3 LYS A 65 12.722 -4.690 -3.752 1.00 0.00 H new ATOM 0 HG2 LYS A 65 11.589 -4.127 -1.687 1.00 0.00 H new ATOM 0 HG3 LYS A 65 10.129 -4.969 -2.168 1.00 0.00 H new ATOM 0 HD2 LYS A 65 11.669 -7.107 -2.300 1.00 0.00 H new ATOM 0 HD3 LYS A 65 12.806 -6.168 -1.353 1.00 0.00 H new ATOM 0 HE2 LYS A 65 10.902 -5.709 0.310 1.00 0.00 H new ATOM 0 HE3 LYS A 65 9.924 -6.854 -0.587 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 11.056 -7.929 1.265 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 11.622 -8.559 -0.207 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 12.569 -7.449 0.662 1.00 0.00 H new ATOM 990 N ALA A 66 12.498 -2.155 -3.934 1.00 0.00 N ATOM 991 CA ALA A 66 12.941 -0.819 -3.442 1.00 0.00 C ATOM 992 C ALA A 66 11.993 0.259 -3.972 1.00 0.00 C ATOM 993 O ALA A 66 11.646 1.191 -3.274 1.00 0.00 O ATOM 994 CB ALA A 66 14.360 -0.539 -3.936 1.00 0.00 C ATOM 0 H ALA A 66 13.244 -2.761 -4.275 1.00 0.00 H new ATOM 0 HA ALA A 66 12.928 -0.810 -2.352 1.00 0.00 H new ATOM 0 HB1 ALA A 66 14.684 0.438 -3.577 1.00 0.00 H new ATOM 0 HB2 ALA A 66 15.035 -1.307 -3.558 1.00 0.00 H new ATOM 0 HB3 ALA A 66 14.374 -0.548 -5.026 1.00 0.00 H new ATOM 1000 N GLN A 67 11.573 0.141 -5.201 1.00 0.00 N ATOM 1001 CA GLN A 67 10.649 1.160 -5.774 1.00 0.00 C ATOM 1002 C GLN A 67 9.480 1.387 -4.814 1.00 0.00 C ATOM 1003 O GLN A 67 9.388 2.408 -4.162 1.00 0.00 O ATOM 1004 CB GLN A 67 10.115 0.666 -7.120 1.00 0.00 C ATOM 1005 CG GLN A 67 9.710 1.865 -7.980 1.00 0.00 C ATOM 1006 CD GLN A 67 10.746 2.073 -9.086 1.00 0.00 C ATOM 1007 OE1 GLN A 67 11.921 2.212 -8.815 1.00 0.00 O ATOM 1008 NE2 GLN A 67 10.357 2.101 -10.331 1.00 0.00 N ATOM 0 H GLN A 67 11.830 -0.617 -5.834 1.00 0.00 H new ATOM 0 HA GLN A 67 11.187 2.097 -5.919 1.00 0.00 H new ATOM 0 HB2 GLN A 67 10.877 0.079 -7.632 1.00 0.00 H new ATOM 0 HB3 GLN A 67 9.258 0.010 -6.965 1.00 0.00 H new ATOM 0 HG2 GLN A 67 8.725 1.697 -8.416 1.00 0.00 H new ATOM 0 HG3 GLN A 67 9.637 2.760 -7.363 1.00 0.00 H new ATOM 0 HE21 GLN A 67 9.370 1.984 -10.560 1.00 0.00 H new ATOM 0 HE22 GLN A 67 11.040 2.240 -11.076 1.00 0.00 H new ATOM 1017 N VAL A 68 8.584 0.442 -4.722 1.00 0.00 N ATOM 1018 CA VAL A 68 7.421 0.603 -3.804 1.00 0.00 C ATOM 1019 C VAL A 68 7.926 0.846 -2.380 1.00 0.00 C ATOM 1020 O VAL A 68 7.239 1.419 -1.557 1.00 0.00 O ATOM 1021 CB VAL A 68 6.567 -0.665 -3.833 1.00 0.00 C ATOM 1022 CG1 VAL A 68 5.268 -0.424 -3.063 1.00 0.00 C ATOM 1023 CG2 VAL A 68 6.240 -1.025 -5.285 1.00 0.00 C ATOM 0 H VAL A 68 8.607 -0.435 -5.243 1.00 0.00 H new ATOM 0 HA VAL A 68 6.819 1.452 -4.127 1.00 0.00 H new ATOM 0 HB VAL A 68 7.117 -1.484 -3.369 1.00 0.00 H new ATOM 0 HG11 VAL A 68 4.660 -1.328 -3.084 1.00 0.00 H new ATOM 0 HG12 VAL A 68 5.500 -0.167 -2.030 1.00 0.00 H new ATOM 0 HG13 VAL A 68 4.717 0.395 -3.526 1.00 0.00 H new ATOM 0 HG21 VAL A 68 5.631 -1.929 -5.308 1.00 0.00 H new ATOM 0 HG22 VAL A 68 5.690 -0.206 -5.748 1.00 0.00 H new ATOM 0 HG23 VAL A 68 7.166 -1.197 -5.834 1.00 0.00 H new ATOM 1033 N GLU A 69 9.120 0.415 -2.082 1.00 0.00 N ATOM 1034 CA GLU A 69 9.667 0.621 -0.710 1.00 0.00 C ATOM 1035 C GLU A 69 9.921 2.112 -0.481 1.00 0.00 C ATOM 1036 O GLU A 69 9.930 2.585 0.637 1.00 0.00 O ATOM 1037 CB GLU A 69 10.980 -0.149 -0.564 1.00 0.00 C ATOM 1038 CG GLU A 69 11.094 -0.697 0.859 1.00 0.00 C ATOM 1039 CD GLU A 69 12.492 -1.284 1.071 1.00 0.00 C ATOM 1040 OE1 GLU A 69 13.140 -1.587 0.083 1.00 0.00 O ATOM 1041 OE2 GLU A 69 12.888 -1.420 2.217 1.00 0.00 O ATOM 0 H GLU A 69 9.741 -0.071 -2.729 1.00 0.00 H new ATOM 0 HA GLU A 69 8.950 0.258 0.026 1.00 0.00 H new ATOM 0 HB2 GLU A 69 11.017 -0.967 -1.284 1.00 0.00 H new ATOM 0 HB3 GLU A 69 11.824 0.505 -0.782 1.00 0.00 H new ATOM 0 HG2 GLU A 69 10.908 0.098 1.582 1.00 0.00 H new ATOM 0 HG3 GLU A 69 10.337 -1.463 1.026 1.00 0.00 H new ATOM 1048 N ASN A 70 10.128 2.856 -1.534 1.00 0.00 N ATOM 1049 CA ASN A 70 10.381 4.317 -1.374 1.00 0.00 C ATOM 1050 C ASN A 70 9.079 5.020 -0.986 1.00 0.00 C ATOM 1051 O ASN A 70 9.088 6.104 -0.438 1.00 0.00 O ATOM 1052 CB ASN A 70 10.897 4.892 -2.695 1.00 0.00 C ATOM 1053 CG ASN A 70 12.426 4.945 -2.667 1.00 0.00 C ATOM 1054 OD1 ASN A 70 13.077 3.933 -2.497 1.00 0.00 O ATOM 1055 ND2 ASN A 70 13.030 6.091 -2.825 1.00 0.00 N ATOM 0 H ASN A 70 10.133 2.516 -2.496 1.00 0.00 H new ATOM 0 HA ASN A 70 11.125 4.474 -0.593 1.00 0.00 H new ATOM 0 HB2 ASN A 70 10.559 4.276 -3.528 1.00 0.00 H new ATOM 0 HB3 ASN A 70 10.491 5.891 -2.852 1.00 0.00 H new ATOM 0 HD21 ASN A 70 14.049 6.137 -2.806 1.00 0.00 H new ATOM 0 HD22 ASN A 70 12.483 6.940 -2.968 1.00 0.00 H new ATOM 1062 N GLU A 71 7.959 4.413 -1.266 1.00 0.00 N ATOM 1063 CA GLU A 71 6.658 5.047 -0.913 1.00 0.00 C ATOM 1064 C GLU A 71 6.053 4.333 0.297 1.00 0.00 C ATOM 1065 O GLU A 71 5.886 4.911 1.352 1.00 0.00 O ATOM 1066 CB GLU A 71 5.699 4.940 -2.101 1.00 0.00 C ATOM 1067 CG GLU A 71 5.813 6.198 -2.965 1.00 0.00 C ATOM 1068 CD GLU A 71 7.249 6.340 -3.475 1.00 0.00 C ATOM 1069 OE1 GLU A 71 7.856 5.322 -3.766 1.00 0.00 O ATOM 1070 OE2 GLU A 71 7.717 7.462 -3.564 1.00 0.00 O ATOM 0 H GLU A 71 7.889 3.505 -1.724 1.00 0.00 H new ATOM 0 HA GLU A 71 6.820 6.097 -0.671 1.00 0.00 H new ATOM 0 HB2 GLU A 71 5.935 4.056 -2.694 1.00 0.00 H new ATOM 0 HB3 GLU A 71 4.675 4.822 -1.746 1.00 0.00 H new ATOM 0 HG2 GLU A 71 5.122 6.138 -3.806 1.00 0.00 H new ATOM 0 HG3 GLU A 71 5.534 7.077 -2.384 1.00 0.00 H new ATOM 1077 N PHE A 72 5.723 3.078 0.152 1.00 0.00 N ATOM 1078 CA PHE A 72 5.129 2.328 1.295 1.00 0.00 C ATOM 1079 C PHE A 72 5.162 0.829 0.993 1.00 0.00 C ATOM 1080 O PHE A 72 4.137 0.188 0.868 1.00 0.00 O ATOM 1081 CB PHE A 72 3.680 2.775 1.499 1.00 0.00 C ATOM 1082 CG PHE A 72 3.123 3.289 0.194 1.00 0.00 C ATOM 1083 CD1 PHE A 72 3.205 2.502 -0.960 1.00 0.00 C ATOM 1084 CD2 PHE A 72 2.525 4.553 0.138 1.00 0.00 C ATOM 1085 CE1 PHE A 72 2.689 2.978 -2.172 1.00 0.00 C ATOM 1086 CE2 PHE A 72 2.009 5.030 -1.073 1.00 0.00 C ATOM 1087 CZ PHE A 72 2.091 4.242 -2.228 1.00 0.00 C ATOM 0 H PHE A 72 5.839 2.541 -0.707 1.00 0.00 H new ATOM 0 HA PHE A 72 5.703 2.529 2.200 1.00 0.00 H new ATOM 0 HB2 PHE A 72 3.078 1.941 1.860 1.00 0.00 H new ATOM 0 HB3 PHE A 72 3.632 3.555 2.259 1.00 0.00 H new ATOM 0 HD1 PHE A 72 3.667 1.527 -0.916 1.00 0.00 H new ATOM 0 HD2 PHE A 72 2.462 5.160 1.029 1.00 0.00 H new ATOM 0 HE1 PHE A 72 2.753 2.370 -3.062 1.00 0.00 H new ATOM 0 HE2 PHE A 72 1.548 6.006 -1.117 1.00 0.00 H new ATOM 0 HZ PHE A 72 1.693 4.610 -3.162 1.00 0.00 H new ATOM 1097 N GLY A 73 6.332 0.263 0.876 1.00 0.00 N ATOM 1098 CA GLY A 73 6.429 -1.195 0.583 1.00 0.00 C ATOM 1099 C GLY A 73 7.353 -1.857 1.600 1.00 0.00 C ATOM 1100 O GLY A 73 7.589 -3.049 1.564 1.00 0.00 O ATOM 0 H GLY A 73 7.225 0.747 0.971 1.00 0.00 H new ATOM 0 HA2 GLY A 73 5.440 -1.652 0.623 1.00 0.00 H new ATOM 0 HA3 GLY A 73 6.811 -1.350 -0.426 1.00 0.00 H new ATOM 1104 N LYS A 74 7.878 -1.089 2.507 1.00 0.00 N ATOM 1105 CA LYS A 74 8.791 -1.659 3.537 1.00 0.00 C ATOM 1106 C LYS A 74 8.120 -2.860 4.205 1.00 0.00 C ATOM 1107 O LYS A 74 8.087 -3.947 3.662 1.00 0.00 O ATOM 1108 CB LYS A 74 9.098 -0.594 4.592 1.00 0.00 C ATOM 1109 CG LYS A 74 9.963 -1.204 5.697 1.00 0.00 C ATOM 1110 CD LYS A 74 10.970 -0.162 6.189 1.00 0.00 C ATOM 1111 CE LYS A 74 11.500 -0.574 7.563 1.00 0.00 C ATOM 1112 NZ LYS A 74 12.823 0.071 7.800 1.00 0.00 N ATOM 0 H LYS A 74 7.715 -0.085 2.582 1.00 0.00 H new ATOM 0 HA LYS A 74 9.719 -1.979 3.063 1.00 0.00 H new ATOM 0 HB2 LYS A 74 9.616 0.248 4.134 1.00 0.00 H new ATOM 0 HB3 LYS A 74 8.170 -0.207 5.014 1.00 0.00 H new ATOM 0 HG2 LYS A 74 9.335 -1.537 6.523 1.00 0.00 H new ATOM 0 HG3 LYS A 74 10.487 -2.083 5.320 1.00 0.00 H new ATOM 0 HD2 LYS A 74 11.794 -0.074 5.481 1.00 0.00 H new ATOM 0 HD3 LYS A 74 10.496 0.818 6.249 1.00 0.00 H new ATOM 0 HE2 LYS A 74 10.795 -0.278 8.340 1.00 0.00 H new ATOM 0 HE3 LYS A 74 11.597 -1.658 7.617 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 13.183 -0.209 8.734 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 13.494 -0.232 7.065 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 12.716 1.105 7.766 1.00 0.00 H new ATOM 1126 N GLY A 75 7.582 -2.674 5.379 1.00 0.00 N ATOM 1127 CA GLY A 75 6.913 -3.806 6.081 1.00 0.00 C ATOM 1128 C GLY A 75 5.398 -3.697 5.897 1.00 0.00 C ATOM 1129 O GLY A 75 4.637 -3.866 6.827 1.00 0.00 O ATOM 0 H GLY A 75 7.577 -1.787 5.883 1.00 0.00 H new ATOM 0 HA2 GLY A 75 7.271 -4.756 5.684 1.00 0.00 H new ATOM 0 HA3 GLY A 75 7.163 -3.789 7.142 1.00 0.00 H new ATOM 1133 N LYS A 76 4.956 -3.417 4.701 1.00 0.00 N ATOM 1134 CA LYS A 76 3.491 -3.298 4.459 1.00 0.00 C ATOM 1135 C LYS A 76 3.068 -4.303 3.385 1.00 0.00 C ATOM 1136 O LYS A 76 3.697 -4.425 2.353 1.00 0.00 O ATOM 1137 CB LYS A 76 3.166 -1.879 3.985 1.00 0.00 C ATOM 1138 CG LYS A 76 3.235 -0.916 5.171 1.00 0.00 C ATOM 1139 CD LYS A 76 1.830 -0.698 5.735 1.00 0.00 C ATOM 1140 CE LYS A 76 1.894 0.281 6.910 1.00 0.00 C ATOM 1141 NZ LYS A 76 1.134 1.516 6.568 1.00 0.00 N ATOM 0 H LYS A 76 5.546 -3.266 3.883 1.00 0.00 H new ATOM 0 HA LYS A 76 2.952 -3.505 5.384 1.00 0.00 H new ATOM 0 HB2 LYS A 76 3.871 -1.572 3.212 1.00 0.00 H new ATOM 0 HB3 LYS A 76 2.172 -1.852 3.539 1.00 0.00 H new ATOM 0 HG2 LYS A 76 3.890 -1.320 5.943 1.00 0.00 H new ATOM 0 HG3 LYS A 76 3.663 0.035 4.856 1.00 0.00 H new ATOM 0 HD2 LYS A 76 1.172 -0.307 4.959 1.00 0.00 H new ATOM 0 HD3 LYS A 76 1.407 -1.648 6.063 1.00 0.00 H new ATOM 0 HE2 LYS A 76 1.476 -0.180 7.805 1.00 0.00 H new ATOM 0 HE3 LYS A 76 2.931 0.530 7.134 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 1.177 2.182 7.366 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 1.552 1.958 5.725 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 0.142 1.271 6.375 1.00 0.00 H new ATOM 1155 N LYS A 77 2.007 -5.026 3.620 1.00 0.00 N ATOM 1156 CA LYS A 77 1.545 -6.021 2.613 1.00 0.00 C ATOM 1157 C LYS A 77 1.306 -5.319 1.275 1.00 0.00 C ATOM 1158 O LYS A 77 1.479 -4.123 1.150 1.00 0.00 O ATOM 1159 CB LYS A 77 0.242 -6.665 3.092 1.00 0.00 C ATOM 1160 CG LYS A 77 0.476 -7.354 4.437 1.00 0.00 C ATOM 1161 CD LYS A 77 -0.261 -8.695 4.461 1.00 0.00 C ATOM 1162 CE LYS A 77 -0.634 -9.047 5.902 1.00 0.00 C ATOM 1163 NZ LYS A 77 -0.595 -10.527 6.078 1.00 0.00 N ATOM 0 H LYS A 77 1.440 -4.970 4.466 1.00 0.00 H new ATOM 0 HA LYS A 77 2.306 -6.791 2.488 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -0.536 -5.907 3.190 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -0.110 -7.389 2.357 1.00 0.00 H new ATOM 0 HG2 LYS A 77 1.543 -7.511 4.596 1.00 0.00 H new ATOM 0 HG3 LYS A 77 0.123 -6.719 5.249 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -1.159 -8.640 3.845 1.00 0.00 H new ATOM 0 HD3 LYS A 77 0.369 -9.476 4.036 1.00 0.00 H new ATOM 0 HE2 LYS A 77 0.058 -8.569 6.595 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -1.629 -8.669 6.134 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -0.849 -10.767 7.058 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -1.272 -10.972 5.426 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 0.363 -10.876 5.873 1.00 0.00 H new ATOM 1177 N ILE A 78 0.909 -6.054 0.272 1.00 0.00 N ATOM 1178 CA ILE A 78 0.659 -5.428 -1.056 1.00 0.00 C ATOM 1179 C ILE A 78 -0.767 -4.865 -1.090 1.00 0.00 C ATOM 1180 O ILE A 78 -1.003 -3.775 -1.571 1.00 0.00 O ATOM 1181 CB ILE A 78 0.850 -6.484 -2.157 1.00 0.00 C ATOM 1182 CG1 ILE A 78 1.680 -5.887 -3.297 1.00 0.00 C ATOM 1183 CG2 ILE A 78 -0.506 -6.948 -2.703 1.00 0.00 C ATOM 1184 CD1 ILE A 78 0.866 -4.813 -4.022 1.00 0.00 C ATOM 0 H ILE A 78 0.747 -7.060 0.315 1.00 0.00 H new ATOM 0 HA ILE A 78 1.362 -4.612 -1.225 1.00 0.00 H new ATOM 0 HB ILE A 78 1.368 -7.343 -1.730 1.00 0.00 H new ATOM 0 HG12 ILE A 78 2.600 -5.455 -2.902 1.00 0.00 H new ATOM 0 HG13 ILE A 78 1.971 -6.671 -3.997 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -0.349 -7.695 -3.481 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -1.094 -7.384 -1.895 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -1.041 -6.095 -3.122 1.00 0.00 H new ATOM 0 HD11 ILE A 78 1.461 -4.391 -4.832 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -0.041 -5.258 -4.431 1.00 0.00 H new ATOM 0 HD13 ILE A 78 0.598 -4.024 -3.320 1.00 0.00 H new ATOM 1196 N GLU A 79 -1.717 -5.599 -0.578 1.00 0.00 N ATOM 1197 CA GLU A 79 -3.122 -5.105 -0.580 1.00 0.00 C ATOM 1198 C GLU A 79 -3.163 -3.679 -0.029 1.00 0.00 C ATOM 1199 O GLU A 79 -3.653 -2.769 -0.669 1.00 0.00 O ATOM 1200 CB GLU A 79 -3.983 -6.015 0.299 1.00 0.00 C ATOM 1201 CG GLU A 79 -4.203 -7.352 -0.410 1.00 0.00 C ATOM 1202 CD GLU A 79 -5.511 -7.303 -1.202 1.00 0.00 C ATOM 1203 OE1 GLU A 79 -6.538 -7.044 -0.595 1.00 0.00 O ATOM 1204 OE2 GLU A 79 -5.464 -7.524 -2.401 1.00 0.00 O ATOM 0 H GLU A 79 -1.580 -6.519 -0.159 1.00 0.00 H new ATOM 0 HA GLU A 79 -3.508 -5.112 -1.600 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -3.495 -6.177 1.260 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -4.942 -5.538 0.505 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -3.369 -7.562 -1.079 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -4.238 -8.161 0.320 1.00 0.00 H new ATOM 1211 N GLU A 80 -2.650 -3.475 1.154 1.00 0.00 N ATOM 1212 CA GLU A 80 -2.659 -2.106 1.743 1.00 0.00 C ATOM 1213 C GLU A 80 -2.143 -1.102 0.711 1.00 0.00 C ATOM 1214 O GLU A 80 -2.793 -0.122 0.405 1.00 0.00 O ATOM 1215 CB GLU A 80 -1.757 -2.078 2.979 1.00 0.00 C ATOM 1216 CG GLU A 80 -2.481 -2.735 4.156 1.00 0.00 C ATOM 1217 CD GLU A 80 -1.526 -3.693 4.871 1.00 0.00 C ATOM 1218 OE1 GLU A 80 -0.560 -3.218 5.443 1.00 0.00 O ATOM 1219 OE2 GLU A 80 -1.779 -4.886 4.835 1.00 0.00 O ATOM 0 H GLU A 80 -2.226 -4.196 1.737 1.00 0.00 H new ATOM 0 HA GLU A 80 -3.677 -1.840 2.029 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -0.824 -2.603 2.773 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -1.495 -1.050 3.228 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -2.836 -1.973 4.850 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -3.358 -3.276 3.801 1.00 0.00 H new ATOM 1226 N VAL A 81 -0.978 -1.337 0.172 1.00 0.00 N ATOM 1227 CA VAL A 81 -0.421 -0.394 -0.840 1.00 0.00 C ATOM 1228 C VAL A 81 -1.511 -0.029 -1.849 1.00 0.00 C ATOM 1229 O VAL A 81 -1.701 1.123 -2.184 1.00 0.00 O ATOM 1230 CB VAL A 81 0.747 -1.061 -1.569 1.00 0.00 C ATOM 1231 CG1 VAL A 81 1.134 -0.222 -2.788 1.00 0.00 C ATOM 1232 CG2 VAL A 81 1.944 -1.165 -0.622 1.00 0.00 C ATOM 0 H VAL A 81 -0.388 -2.140 0.388 1.00 0.00 H new ATOM 0 HA VAL A 81 -0.070 0.510 -0.342 1.00 0.00 H new ATOM 0 HB VAL A 81 0.451 -2.058 -1.894 1.00 0.00 H new ATOM 0 HG11 VAL A 81 1.966 -0.697 -3.307 1.00 0.00 H new ATOM 0 HG12 VAL A 81 0.281 -0.146 -3.463 1.00 0.00 H new ATOM 0 HG13 VAL A 81 1.431 0.775 -2.464 1.00 0.00 H new ATOM 0 HG21 VAL A 81 2.777 -1.640 -1.140 1.00 0.00 H new ATOM 0 HG22 VAL A 81 2.239 -0.167 -0.298 1.00 0.00 H new ATOM 0 HG23 VAL A 81 1.669 -1.762 0.248 1.00 0.00 H new ATOM 1242 N ILE A 82 -2.230 -1.002 -2.339 1.00 0.00 N ATOM 1243 CA ILE A 82 -3.305 -0.710 -3.328 1.00 0.00 C ATOM 1244 C ILE A 82 -4.372 0.172 -2.675 1.00 0.00 C ATOM 1245 O ILE A 82 -5.073 0.910 -3.339 1.00 0.00 O ATOM 1246 CB ILE A 82 -3.943 -2.021 -3.790 1.00 0.00 C ATOM 1247 CG1 ILE A 82 -2.844 -3.001 -4.207 1.00 0.00 C ATOM 1248 CG2 ILE A 82 -4.861 -1.750 -4.983 1.00 0.00 C ATOM 1249 CD1 ILE A 82 -1.863 -2.300 -5.149 1.00 0.00 C ATOM 0 H ILE A 82 -2.119 -1.987 -2.097 1.00 0.00 H new ATOM 0 HA ILE A 82 -2.878 -0.191 -4.186 1.00 0.00 H new ATOM 0 HB ILE A 82 -4.525 -2.449 -2.974 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -2.318 -3.370 -3.326 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -3.283 -3.867 -4.702 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -5.315 -2.684 -5.312 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -5.643 -1.050 -4.689 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -4.280 -1.322 -5.800 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -1.081 -2.999 -5.445 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -2.394 -1.953 -6.035 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -1.414 -1.448 -4.638 1.00 0.00 H new ATOM 1261 N ASP A 83 -4.502 0.101 -1.378 1.00 0.00 N ATOM 1262 CA ASP A 83 -5.523 0.935 -0.686 1.00 0.00 C ATOM 1263 C ASP A 83 -5.090 2.402 -0.715 1.00 0.00 C ATOM 1264 O ASP A 83 -5.761 3.247 -1.273 1.00 0.00 O ATOM 1265 CB ASP A 83 -5.660 0.472 0.767 1.00 0.00 C ATOM 1266 CG ASP A 83 -6.872 1.151 1.408 1.00 0.00 C ATOM 1267 OD1 ASP A 83 -7.608 1.806 0.689 1.00 0.00 O ATOM 1268 OD2 ASP A 83 -7.044 1.002 2.606 1.00 0.00 O ATOM 0 H ASP A 83 -3.945 -0.498 -0.769 1.00 0.00 H new ATOM 0 HA ASP A 83 -6.482 0.830 -1.193 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -5.775 -0.611 0.805 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -4.756 0.717 1.324 1.00 0.00 H new ATOM 1273 N LEU A 84 -3.973 2.713 -0.116 1.00 0.00 N ATOM 1274 CA LEU A 84 -3.498 4.126 -0.110 1.00 0.00 C ATOM 1275 C LEU A 84 -3.548 4.687 -1.532 1.00 0.00 C ATOM 1276 O LEU A 84 -3.737 5.870 -1.736 1.00 0.00 O ATOM 1277 CB LEU A 84 -2.060 4.178 0.410 1.00 0.00 C ATOM 1278 CG LEU A 84 -1.987 3.503 1.780 1.00 0.00 C ATOM 1279 CD1 LEU A 84 -0.532 3.456 2.250 1.00 0.00 C ATOM 1280 CD2 LEU A 84 -2.822 4.301 2.786 1.00 0.00 C ATOM 0 H LEU A 84 -3.369 2.050 0.369 1.00 0.00 H new ATOM 0 HA LEU A 84 -4.140 4.723 0.538 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -1.391 3.677 -0.290 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -1.726 5.213 0.485 1.00 0.00 H new ATOM 0 HG LEU A 84 -2.377 2.488 1.706 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -0.480 2.975 3.227 1.00 0.00 H new ATOM 0 HD12 LEU A 84 0.063 2.889 1.534 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -0.141 4.471 2.324 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -2.771 3.821 3.763 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -2.431 5.316 2.859 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -3.859 4.335 2.452 1.00 0.00 H new ATOM 1292 N ILE A 85 -3.379 3.849 -2.517 1.00 0.00 N ATOM 1293 CA ILE A 85 -3.416 4.336 -3.925 1.00 0.00 C ATOM 1294 C ILE A 85 -4.835 4.794 -4.270 1.00 0.00 C ATOM 1295 O ILE A 85 -5.085 5.962 -4.490 1.00 0.00 O ATOM 1296 CB ILE A 85 -3.002 3.205 -4.868 1.00 0.00 C ATOM 1297 CG1 ILE A 85 -1.491 2.980 -4.760 1.00 0.00 C ATOM 1298 CG2 ILE A 85 -3.359 3.582 -6.307 1.00 0.00 C ATOM 1299 CD1 ILE A 85 -1.103 1.728 -5.549 1.00 0.00 C ATOM 0 H ILE A 85 -3.217 2.848 -2.408 1.00 0.00 H new ATOM 0 HA ILE A 85 -2.727 5.173 -4.037 1.00 0.00 H new ATOM 0 HB ILE A 85 -3.528 2.291 -4.592 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -0.955 3.847 -5.147 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -1.203 2.868 -3.715 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -3.064 2.776 -6.978 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -4.434 3.743 -6.385 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -2.834 4.496 -6.585 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -0.028 1.568 -5.472 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -1.628 0.864 -5.142 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -1.376 1.859 -6.596 1.00 0.00 H new ATOM 1311 N LEU A 86 -5.767 3.881 -4.318 1.00 0.00 N ATOM 1312 CA LEU A 86 -7.169 4.263 -4.650 1.00 0.00 C ATOM 1313 C LEU A 86 -7.545 5.533 -3.882 1.00 0.00 C ATOM 1314 O LEU A 86 -8.104 6.460 -4.434 1.00 0.00 O ATOM 1315 CB LEU A 86 -8.115 3.129 -4.254 1.00 0.00 C ATOM 1316 CG LEU A 86 -7.793 1.884 -5.082 1.00 0.00 C ATOM 1317 CD1 LEU A 86 -8.641 0.709 -4.589 1.00 0.00 C ATOM 1318 CD2 LEU A 86 -8.107 2.156 -6.554 1.00 0.00 C ATOM 0 H LEU A 86 -5.618 2.887 -4.142 1.00 0.00 H new ATOM 0 HA LEU A 86 -7.252 4.447 -5.721 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -8.011 2.909 -3.191 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -9.150 3.430 -4.418 1.00 0.00 H new ATOM 0 HG LEU A 86 -6.736 1.640 -4.974 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -8.411 -0.178 -5.179 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -8.418 0.515 -3.540 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -9.698 0.953 -4.696 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -7.878 1.269 -7.145 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -9.164 2.400 -6.661 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -7.503 2.993 -6.906 1.00 0.00 H new ATOM 1330 N ARG A 87 -7.245 5.582 -2.614 1.00 0.00 N ATOM 1331 CA ARG A 87 -7.588 6.792 -1.814 1.00 0.00 C ATOM 1332 C ARG A 87 -6.953 8.027 -2.457 1.00 0.00 C ATOM 1333 O ARG A 87 -7.479 9.119 -2.380 1.00 0.00 O ATOM 1334 CB ARG A 87 -7.054 6.629 -0.388 1.00 0.00 C ATOM 1335 CG ARG A 87 -7.806 7.574 0.550 1.00 0.00 C ATOM 1336 CD ARG A 87 -7.258 7.427 1.970 1.00 0.00 C ATOM 1337 NE ARG A 87 -8.306 7.830 2.950 1.00 0.00 N ATOM 1338 CZ ARG A 87 -8.178 7.511 4.210 1.00 0.00 C ATOM 1339 NH1 ARG A 87 -7.133 6.839 4.610 1.00 0.00 N ATOM 1340 NH2 ARG A 87 -9.096 7.863 5.068 1.00 0.00 N ATOM 0 H ARG A 87 -6.777 4.837 -2.097 1.00 0.00 H new ATOM 0 HA ARG A 87 -8.671 6.913 -1.786 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -7.178 5.598 -0.058 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -5.986 6.847 -0.361 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -7.695 8.604 0.211 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -8.872 7.346 0.535 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -6.954 6.396 2.149 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -6.370 8.047 2.095 1.00 0.00 H new ATOM 0 HE ARG A 87 -9.123 8.355 2.637 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -6.416 6.563 3.939 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -7.033 6.590 5.594 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -9.913 8.387 4.754 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -8.997 7.614 6.052 1.00 0.00 H new ATOM 1354 N ASN A 88 -5.825 7.862 -3.094 1.00 0.00 N ATOM 1355 CA ASN A 88 -5.159 9.026 -3.742 1.00 0.00 C ATOM 1356 C ASN A 88 -5.769 9.257 -5.126 1.00 0.00 C ATOM 1357 O ASN A 88 -6.628 10.099 -5.304 1.00 0.00 O ATOM 1358 CB ASN A 88 -3.663 8.743 -3.884 1.00 0.00 C ATOM 1359 CG ASN A 88 -2.982 9.927 -4.576 1.00 0.00 C ATOM 1360 OD1 ASN A 88 -2.159 9.744 -5.450 1.00 0.00 O ATOM 1361 ND2 ASN A 88 -3.294 11.142 -4.217 1.00 0.00 N ATOM 0 H ASN A 88 -5.337 6.972 -3.193 1.00 0.00 H new ATOM 0 HA ASN A 88 -5.303 9.915 -3.129 1.00 0.00 H new ATOM 0 HB2 ASN A 88 -3.219 8.577 -2.903 1.00 0.00 H new ATOM 0 HB3 ASN A 88 -3.508 7.832 -4.462 1.00 0.00 H new ATOM 0 HD21 ASN A 88 -2.847 11.939 -4.671 1.00 0.00 H new ATOM 0 HD22 ASN A 88 -3.985 11.295 -3.483 1.00 0.00 H new ATOM 1368 N GLY A 89 -5.332 8.518 -6.108 1.00 0.00 N ATOM 1369 CA GLY A 89 -5.887 8.697 -7.480 1.00 0.00 C ATOM 1370 C GLY A 89 -5.694 10.147 -7.924 1.00 0.00 C ATOM 1371 O GLY A 89 -6.243 11.062 -7.345 1.00 0.00 O ATOM 0 H GLY A 89 -4.615 7.798 -6.020 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -5.388 8.023 -8.176 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -6.946 8.440 -7.492 1.00 0.00 H new ATOM 1375 N LYS A 90 -4.916 10.365 -8.949 1.00 0.00 N ATOM 1376 CA LYS A 90 -4.689 11.756 -9.430 1.00 0.00 C ATOM 1377 C LYS A 90 -4.958 11.827 -10.934 1.00 0.00 C ATOM 1378 O LYS A 90 -4.089 12.161 -11.715 1.00 0.00 O ATOM 1379 CB LYS A 90 -3.239 12.160 -9.152 1.00 0.00 C ATOM 1380 CG LYS A 90 -3.145 13.684 -9.049 1.00 0.00 C ATOM 1381 CD LYS A 90 -3.480 14.121 -7.622 1.00 0.00 C ATOM 1382 CE LYS A 90 -3.527 15.649 -7.553 1.00 0.00 C ATOM 1383 NZ LYS A 90 -2.177 16.172 -7.198 1.00 0.00 N ATOM 0 H LYS A 90 -4.428 9.639 -9.474 1.00 0.00 H new ATOM 0 HA LYS A 90 -5.363 12.435 -8.909 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -2.893 11.700 -8.226 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -2.590 11.798 -9.949 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -2.142 14.016 -9.316 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -3.833 14.150 -9.754 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -4.440 13.703 -7.318 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -2.732 13.738 -6.928 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -3.846 16.057 -8.512 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -4.259 15.968 -6.811 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -2.208 17.210 -7.151 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -1.890 15.792 -6.274 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -1.490 15.879 -7.922 1.00 0.00 H new