USER MOD reduce.3.24.130724 H: found=0, std=0, add=774, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 778 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 72 HIS : no HD1:sc= -0.115 X(o=0.14,f=-0.35) USER MOD Set 1.2: B 116 THR OG1 : rot 100:sc= 0.257 USER MOD Set 2.1: A 28 SER OG : rot 152:sc= 0.253 USER MOD Set 2.2: A 40 SER OG : rot -140:sc= 0 USER MOD Set 3.1: A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.2: A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 SER OG : rot 21:sc= 0.0717 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 25 CYS SG : rot -53:sc= -2.69 USER MOD Single : A 26 SER OG : rot 160:sc= -2.6 USER MOD Single : A 29 SER OG : rot -73:sc= 0.231 USER MOD Single : A 33 GLN : amide:sc= -0.107 X(o=-0.11,f=0) USER MOD Single : A 34 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0199) USER MOD Single : A 41 HIS : no HD1:sc= -2.33! C(o=-2.3!,f=-2.9!) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 SER OG : rot 80:sc= 0.773 USER MOD Single : A 48 SER OG : rot -82:sc= -1.2 USER MOD Single : A 58 GLN : amide:sc= 0 K(o=0,f=-2.2!) USER MOD Single : A 63 ASN : amide:sc= -0.0165 X(o=-0.016,f=0.13) USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 69 ASN : amide:sc= -0.0044 X(o=-0.0044,f=-0.035) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 84 SER OG : rot -48:sc= -0.259 USER MOD Single : A 86 THR OG1 : rot -34:sc= 0.519 USER MOD Single : A 99 MET CE :methyl -148:sc= -0.0266 (180deg=-0.259) USER MOD Single : A 100 THR OG1 : rot 180:sc= 0 USER MOD Single : B 111 THR OG1 : rot -24:sc= 0.478 USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 9 -4.829 -4.661 -14.294 1.00 0.00 N ATOM 2 CA LYS A 9 -4.461 -3.417 -15.016 1.00 0.00 C ATOM 3 C LYS A 9 -3.517 -2.555 -14.182 1.00 0.00 C ATOM 4 O LYS A 9 -3.940 -1.884 -13.242 1.00 0.00 O ATOM 5 CB LYS A 9 -5.744 -2.644 -15.336 1.00 0.00 C ATOM 6 CG LYS A 9 -5.967 -2.424 -16.823 1.00 0.00 C ATOM 7 CD LYS A 9 -5.252 -1.176 -17.316 1.00 0.00 C ATOM 8 CE LYS A 9 -4.742 -1.351 -18.737 1.00 0.00 C ATOM 9 NZ LYS A 9 -3.725 -0.324 -19.092 1.00 0.00 N ATOM 0 HA LYS A 9 -3.939 -3.676 -15.937 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -6.596 -3.185 -14.926 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -5.710 -1.676 -14.835 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -5.610 -3.292 -17.378 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -7.035 -2.335 -17.022 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -5.932 -0.325 -17.275 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -4.417 -0.949 -16.654 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -4.308 -2.345 -18.847 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -5.578 -1.289 -19.433 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -3.402 -0.478 -20.069 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -4.146 0.624 -19.012 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -2.915 -0.399 -18.444 1.00 0.00 H new ATOM 25 N GLU A 10 -2.236 -2.578 -14.536 1.00 0.00 N ATOM 26 CA GLU A 10 -1.232 -1.799 -13.820 1.00 0.00 C ATOM 27 C GLU A 10 -1.537 -0.307 -13.914 1.00 0.00 C ATOM 28 O GLU A 10 -1.718 0.232 -15.006 1.00 0.00 O ATOM 29 CB GLU A 10 0.163 -2.086 -14.380 1.00 0.00 C ATOM 30 CG GLU A 10 0.952 -3.091 -13.559 1.00 0.00 C ATOM 31 CD GLU A 10 2.210 -3.559 -14.263 1.00 0.00 C ATOM 32 OE1 GLU A 10 2.800 -2.760 -15.018 1.00 0.00 O ATOM 33 OE2 GLU A 10 2.606 -4.726 -14.056 1.00 0.00 O ATOM 0 H GLU A 10 -1.869 -3.127 -15.313 1.00 0.00 H new ATOM 0 HA GLU A 10 -1.259 -2.092 -12.770 1.00 0.00 H new ATOM 0 HB2 GLU A 10 0.067 -2.458 -15.400 1.00 0.00 H new ATOM 0 HB3 GLU A 10 0.723 -1.153 -14.433 1.00 0.00 H new ATOM 0 HG2 GLU A 10 1.221 -2.642 -12.603 1.00 0.00 H new ATOM 0 HG3 GLU A 10 0.320 -3.952 -13.341 1.00 0.00 H new ATOM 40 N LYS A 11 -1.591 0.356 -12.763 1.00 0.00 N ATOM 41 CA LYS A 11 -1.874 1.787 -12.719 1.00 0.00 C ATOM 42 C LYS A 11 -0.667 2.562 -12.195 1.00 0.00 C ATOM 43 O LYS A 11 0.120 2.047 -11.401 1.00 0.00 O ATOM 44 CB LYS A 11 -3.103 2.057 -11.842 1.00 0.00 C ATOM 45 CG LYS A 11 -3.339 3.532 -11.548 1.00 0.00 C ATOM 46 CD LYS A 11 -4.776 3.790 -11.124 1.00 0.00 C ATOM 47 CE LYS A 11 -4.954 3.615 -9.624 1.00 0.00 C ATOM 48 NZ LYS A 11 -6.388 3.481 -9.246 1.00 0.00 N ATOM 0 H LYS A 11 -1.443 -0.074 -11.850 1.00 0.00 H new ATOM 0 HA LYS A 11 -2.084 2.127 -13.733 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -3.986 1.649 -12.335 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -2.989 1.522 -10.899 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -2.661 3.861 -10.760 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -3.108 4.123 -12.434 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -5.065 4.801 -11.410 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -5.441 3.107 -11.653 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -4.408 2.731 -9.294 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -4.520 4.470 -9.105 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -6.466 3.364 -8.216 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -6.905 4.335 -9.537 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -6.796 2.651 -9.721 1.00 0.00 H new ATOM 62 N LYS A 12 -0.528 3.802 -12.649 1.00 0.00 N ATOM 63 CA LYS A 12 0.583 4.649 -12.230 1.00 0.00 C ATOM 64 C LYS A 12 0.102 5.748 -11.288 1.00 0.00 C ATOM 65 O LYS A 12 -1.028 6.225 -11.402 1.00 0.00 O ATOM 66 CB LYS A 12 1.270 5.268 -13.447 1.00 0.00 C ATOM 67 CG LYS A 12 2.235 4.322 -14.145 1.00 0.00 C ATOM 68 CD LYS A 12 3.625 4.927 -14.266 1.00 0.00 C ATOM 69 CE LYS A 12 4.553 4.413 -13.176 1.00 0.00 C ATOM 70 NZ LYS A 12 5.459 3.343 -13.679 1.00 0.00 N ATOM 0 H LYS A 12 -1.170 4.243 -13.307 1.00 0.00 H new ATOM 0 HA LYS A 12 1.301 4.026 -11.697 1.00 0.00 H new ATOM 0 HB2 LYS A 12 0.510 5.590 -14.159 1.00 0.00 H new ATOM 0 HB3 LYS A 12 1.811 6.161 -13.134 1.00 0.00 H new ATOM 0 HG2 LYS A 12 2.292 3.386 -13.590 1.00 0.00 H new ATOM 0 HG3 LYS A 12 1.855 4.081 -15.138 1.00 0.00 H new ATOM 0 HD2 LYS A 12 4.043 4.688 -15.244 1.00 0.00 H new ATOM 0 HD3 LYS A 12 3.557 6.013 -14.205 1.00 0.00 H new ATOM 0 HE2 LYS A 12 5.148 5.239 -12.786 1.00 0.00 H new ATOM 0 HE3 LYS A 12 3.960 4.027 -12.346 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 6.076 3.019 -12.907 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 4.892 2.544 -14.028 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 6.043 3.718 -14.454 1.00 0.00 H new ATOM 84 N VAL A 13 0.965 6.145 -10.360 1.00 0.00 N ATOM 85 CA VAL A 13 0.628 7.187 -9.399 1.00 0.00 C ATOM 86 C VAL A 13 1.859 8.006 -9.023 1.00 0.00 C ATOM 87 O VAL A 13 2.956 7.468 -8.885 1.00 0.00 O ATOM 88 CB VAL A 13 0.006 6.588 -8.121 1.00 0.00 C ATOM 89 CG1 VAL A 13 -0.396 7.689 -7.149 1.00 0.00 C ATOM 90 CG2 VAL A 13 -1.189 5.715 -8.473 1.00 0.00 C ATOM 0 H VAL A 13 1.904 5.760 -10.253 1.00 0.00 H new ATOM 0 HA VAL A 13 -0.103 7.839 -9.877 1.00 0.00 H new ATOM 0 HB VAL A 13 0.755 5.965 -7.632 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -0.832 7.244 -6.255 1.00 0.00 H new ATOM 0 HG12 VAL A 13 0.484 8.270 -6.873 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -1.128 8.343 -7.623 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -1.617 5.299 -7.561 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -1.940 6.316 -8.985 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -0.867 4.903 -9.125 1.00 0.00 H new ATOM 100 N PHE A 14 1.665 9.311 -8.861 1.00 0.00 N ATOM 101 CA PHE A 14 2.757 10.209 -8.502 1.00 0.00 C ATOM 102 C PHE A 14 2.405 11.021 -7.259 1.00 0.00 C ATOM 103 O PHE A 14 1.449 11.798 -7.264 1.00 0.00 O ATOM 104 CB PHE A 14 3.076 11.147 -9.669 1.00 0.00 C ATOM 105 CG PHE A 14 4.190 12.113 -9.382 1.00 0.00 C ATOM 106 CD1 PHE A 14 5.344 11.691 -8.740 1.00 0.00 C ATOM 107 CD2 PHE A 14 4.083 13.443 -9.755 1.00 0.00 C ATOM 108 CE1 PHE A 14 6.370 12.579 -8.476 1.00 0.00 C ATOM 109 CE2 PHE A 14 5.105 14.335 -9.492 1.00 0.00 C ATOM 110 CZ PHE A 14 6.250 13.903 -8.853 1.00 0.00 C ATOM 0 H PHE A 14 0.761 9.770 -8.973 1.00 0.00 H new ATOM 0 HA PHE A 14 3.637 9.605 -8.281 1.00 0.00 H new ATOM 0 HB2 PHE A 14 3.341 10.550 -10.541 1.00 0.00 H new ATOM 0 HB3 PHE A 14 2.178 11.708 -9.928 1.00 0.00 H new ATOM 0 HD1 PHE A 14 5.442 10.657 -8.443 1.00 0.00 H new ATOM 0 HD2 PHE A 14 3.191 13.787 -10.257 1.00 0.00 H new ATOM 0 HE1 PHE A 14 7.264 12.238 -7.976 1.00 0.00 H new ATOM 0 HE2 PHE A 14 5.008 15.370 -9.786 1.00 0.00 H new ATOM 0 HZ PHE A 14 7.050 14.599 -8.648 1.00 0.00 H new ATOM 120 N ILE A 15 3.181 10.835 -6.196 1.00 0.00 N ATOM 121 CA ILE A 15 2.950 11.550 -4.947 1.00 0.00 C ATOM 122 C ILE A 15 4.016 12.616 -4.716 1.00 0.00 C ATOM 123 O ILE A 15 5.195 12.303 -4.558 1.00 0.00 O ATOM 124 CB ILE A 15 2.935 10.587 -3.743 1.00 0.00 C ATOM 125 CG1 ILE A 15 2.013 9.399 -4.026 1.00 0.00 C ATOM 126 CG2 ILE A 15 2.493 11.319 -2.483 1.00 0.00 C ATOM 127 CD1 ILE A 15 0.592 9.801 -4.356 1.00 0.00 C ATOM 0 H ILE A 15 3.975 10.195 -6.175 1.00 0.00 H new ATOM 0 HA ILE A 15 1.975 12.029 -5.034 1.00 0.00 H new ATOM 0 HB ILE A 15 3.946 10.211 -3.585 1.00 0.00 H new ATOM 0 HG12 ILE A 15 2.421 8.823 -4.856 1.00 0.00 H new ATOM 0 HG13 ILE A 15 2.003 8.742 -3.156 1.00 0.00 H new ATOM 0 HG21 ILE A 15 2.488 10.625 -1.642 1.00 0.00 H new ATOM 0 HG22 ILE A 15 3.184 12.136 -2.275 1.00 0.00 H new ATOM 0 HG23 ILE A 15 1.490 11.721 -2.628 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -0.004 8.908 -4.545 1.00 0.00 H new ATOM 0 HD12 ILE A 15 0.165 10.351 -3.517 1.00 0.00 H new ATOM 0 HD13 ILE A 15 0.590 10.433 -5.244 1.00 0.00 H new ATOM 139 N SER A 16 3.592 13.876 -4.701 1.00 0.00 N ATOM 140 CA SER A 16 4.511 14.990 -4.492 1.00 0.00 C ATOM 141 C SER A 16 3.937 15.986 -3.489 1.00 0.00 C ATOM 142 O SER A 16 2.781 16.397 -3.598 1.00 0.00 O ATOM 143 CB SER A 16 4.803 15.693 -5.817 1.00 0.00 C ATOM 144 OG SER A 16 3.616 16.210 -6.394 1.00 0.00 O ATOM 0 H SER A 16 2.618 14.151 -4.831 1.00 0.00 H new ATOM 0 HA SER A 16 5.442 14.591 -4.089 1.00 0.00 H new ATOM 0 HB2 SER A 16 5.514 16.503 -5.653 1.00 0.00 H new ATOM 0 HB3 SER A 16 5.272 14.992 -6.508 1.00 0.00 H new ATOM 0 HG SER A 16 2.932 16.310 -5.700 1.00 0.00 H new ATOM 150 N LEU A 17 4.753 16.370 -2.513 1.00 0.00 N ATOM 151 CA LEU A 17 4.328 17.318 -1.490 1.00 0.00 C ATOM 152 C LEU A 17 4.068 18.695 -2.096 1.00 0.00 C ATOM 153 O LEU A 17 4.641 19.048 -3.125 1.00 0.00 O ATOM 154 CB LEU A 17 5.388 17.422 -0.391 1.00 0.00 C ATOM 155 CG LEU A 17 4.841 17.395 1.040 1.00 0.00 C ATOM 156 CD1 LEU A 17 5.115 16.050 1.696 1.00 0.00 C ATOM 157 CD2 LEU A 17 5.445 18.524 1.865 1.00 0.00 C ATOM 0 H LEU A 17 5.712 16.039 -2.409 1.00 0.00 H new ATOM 0 HA LEU A 17 3.398 16.953 -1.055 1.00 0.00 H new ATOM 0 HB2 LEU A 17 6.095 16.601 -0.510 1.00 0.00 H new ATOM 0 HB3 LEU A 17 5.947 18.347 -0.533 1.00 0.00 H new ATOM 0 HG LEU A 17 3.762 17.540 0.995 1.00 0.00 H new ATOM 0 HD11 LEU A 17 4.718 16.053 2.711 1.00 0.00 H new ATOM 0 HD12 LEU A 17 4.633 15.260 1.120 1.00 0.00 H new ATOM 0 HD13 LEU A 17 6.190 15.873 1.727 1.00 0.00 H new ATOM 0 HD21 LEU A 17 5.045 18.489 2.878 1.00 0.00 H new ATOM 0 HD22 LEU A 17 6.529 18.410 1.899 1.00 0.00 H new ATOM 0 HD23 LEU A 17 5.195 19.482 1.409 1.00 0.00 H new ATOM 169 N VAL A 18 3.201 19.466 -1.447 1.00 0.00 N ATOM 170 CA VAL A 18 2.867 20.803 -1.920 1.00 0.00 C ATOM 171 C VAL A 18 3.072 21.841 -0.821 1.00 0.00 C ATOM 172 O VAL A 18 2.162 22.602 -0.490 1.00 0.00 O ATOM 173 CB VAL A 18 1.410 20.875 -2.418 1.00 0.00 C ATOM 174 CG1 VAL A 18 1.242 20.073 -3.700 1.00 0.00 C ATOM 175 CG2 VAL A 18 0.452 20.383 -1.343 1.00 0.00 C ATOM 0 H VAL A 18 2.718 19.187 -0.593 1.00 0.00 H new ATOM 0 HA VAL A 18 3.537 21.022 -2.751 1.00 0.00 H new ATOM 0 HB VAL A 18 1.172 21.916 -2.635 1.00 0.00 H new ATOM 0 HG11 VAL A 18 0.207 20.136 -4.036 1.00 0.00 H new ATOM 0 HG12 VAL A 18 1.899 20.477 -4.471 1.00 0.00 H new ATOM 0 HG13 VAL A 18 1.500 19.031 -3.513 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -0.571 20.441 -1.713 1.00 0.00 H new ATOM 0 HG22 VAL A 18 0.688 19.349 -1.091 1.00 0.00 H new ATOM 0 HG23 VAL A 18 0.552 21.005 -0.454 1.00 0.00 H new ATOM 185 N GLY A 19 4.275 21.865 -0.257 1.00 0.00 N ATOM 186 CA GLY A 19 4.582 22.812 0.799 1.00 0.00 C ATOM 187 C GLY A 19 4.351 22.236 2.182 1.00 0.00 C ATOM 188 O GLY A 19 5.250 21.631 2.767 1.00 0.00 O ATOM 0 H GLY A 19 5.044 21.245 -0.513 1.00 0.00 H new ATOM 0 HA2 GLY A 19 5.622 23.127 0.709 1.00 0.00 H new ATOM 0 HA3 GLY A 19 3.967 23.703 0.673 1.00 0.00 H new ATOM 192 N SER A 20 3.144 22.421 2.705 1.00 0.00 N ATOM 193 CA SER A 20 2.797 21.915 4.028 1.00 0.00 C ATOM 194 C SER A 20 1.664 20.896 3.942 1.00 0.00 C ATOM 195 O SER A 20 0.551 21.148 4.405 1.00 0.00 O ATOM 196 CB SER A 20 2.396 23.068 4.950 1.00 0.00 C ATOM 197 OG SER A 20 3.507 23.536 5.695 1.00 0.00 O ATOM 0 H SER A 20 2.389 22.918 2.233 1.00 0.00 H new ATOM 0 HA SER A 20 3.675 21.419 4.441 1.00 0.00 H new ATOM 0 HB2 SER A 20 1.982 23.884 4.358 1.00 0.00 H new ATOM 0 HB3 SER A 20 1.611 22.737 5.630 1.00 0.00 H new ATOM 0 HG SER A 20 3.225 24.274 6.275 1.00 0.00 H new ATOM 203 N ARG A 21 1.956 19.744 3.346 1.00 0.00 N ATOM 204 CA ARG A 21 0.963 18.685 3.200 1.00 0.00 C ATOM 205 C ARG A 21 1.637 17.320 3.109 1.00 0.00 C ATOM 206 O ARG A 21 2.859 17.213 3.210 1.00 0.00 O ATOM 207 CB ARG A 21 0.108 18.929 1.955 1.00 0.00 C ATOM 208 CG ARG A 21 -0.743 20.186 2.037 1.00 0.00 C ATOM 209 CD ARG A 21 -1.974 20.088 1.148 1.00 0.00 C ATOM 210 NE ARG A 21 -2.182 21.305 0.366 1.00 0.00 N ATOM 211 CZ ARG A 21 -3.032 21.393 -0.655 1.00 0.00 C ATOM 212 NH1 ARG A 21 -3.754 20.341 -1.020 1.00 0.00 N ATOM 213 NH2 ARG A 21 -3.160 22.537 -1.312 1.00 0.00 N ATOM 0 H ARG A 21 2.872 19.520 2.956 1.00 0.00 H new ATOM 0 HA ARG A 21 0.321 18.696 4.081 1.00 0.00 H new ATOM 0 HB2 ARG A 21 0.760 18.998 1.085 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -0.543 18.069 1.798 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -1.051 20.351 3.069 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -0.147 21.049 1.741 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -1.868 19.238 0.474 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -2.853 19.899 1.765 1.00 0.00 H new ATOM 0 HE ARG A 21 -1.645 22.135 0.617 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -3.660 19.458 -0.517 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -4.403 20.415 -1.803 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -2.608 23.349 -1.035 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -3.811 22.606 -2.094 1.00 0.00 H new ATOM 227 N GLY A 22 0.832 16.280 2.921 1.00 0.00 N ATOM 228 CA GLY A 22 1.370 14.935 2.821 1.00 0.00 C ATOM 229 C GLY A 22 0.600 14.075 1.840 1.00 0.00 C ATOM 230 O GLY A 22 -0.065 14.588 0.942 1.00 0.00 O ATOM 0 H GLY A 22 -0.182 16.344 2.836 1.00 0.00 H new ATOM 0 HA2 GLY A 22 2.414 14.987 2.513 1.00 0.00 H new ATOM 0 HA3 GLY A 22 1.351 14.465 3.804 1.00 0.00 H new ATOM 234 N LEU A 23 0.690 12.759 2.011 1.00 0.00 N ATOM 235 CA LEU A 23 -0.002 11.823 1.139 1.00 0.00 C ATOM 236 C LEU A 23 -1.361 11.449 1.725 1.00 0.00 C ATOM 237 O LEU A 23 -2.303 11.146 0.992 1.00 0.00 O ATOM 238 CB LEU A 23 0.859 10.572 0.932 1.00 0.00 C ATOM 239 CG LEU A 23 0.125 9.356 0.369 1.00 0.00 C ATOM 240 CD1 LEU A 23 -0.270 9.592 -1.082 1.00 0.00 C ATOM 241 CD2 LEU A 23 0.985 8.109 0.495 1.00 0.00 C ATOM 0 H LEU A 23 1.238 12.318 2.749 1.00 0.00 H new ATOM 0 HA LEU A 23 -0.170 12.299 0.173 1.00 0.00 H new ATOM 0 HB2 LEU A 23 1.679 10.823 0.259 1.00 0.00 H new ATOM 0 HB3 LEU A 23 1.304 10.296 1.888 1.00 0.00 H new ATOM 0 HG LEU A 23 -0.785 9.205 0.950 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -0.791 8.715 -1.464 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -0.927 10.460 -1.144 1.00 0.00 H new ATOM 0 HD13 LEU A 23 0.625 9.771 -1.678 1.00 0.00 H new ATOM 0 HD21 LEU A 23 0.446 7.253 0.089 1.00 0.00 H new ATOM 0 HD22 LEU A 23 1.913 8.250 -0.059 1.00 0.00 H new ATOM 0 HD23 LEU A 23 1.213 7.929 1.546 1.00 0.00 H new ATOM 253 N GLY A 24 -1.453 11.476 3.050 1.00 0.00 N ATOM 254 CA GLY A 24 -2.697 11.141 3.718 1.00 0.00 C ATOM 255 C GLY A 24 -3.164 9.731 3.414 1.00 0.00 C ATOM 256 O GLY A 24 -4.319 9.519 3.044 1.00 0.00 O ATOM 0 H GLY A 24 -0.686 11.725 3.675 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -2.568 11.252 4.795 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -3.469 11.848 3.415 1.00 0.00 H new ATOM 260 N CYS A 25 -2.267 8.765 3.571 1.00 0.00 N ATOM 261 CA CYS A 25 -2.595 7.368 3.311 1.00 0.00 C ATOM 262 C CYS A 25 -1.633 6.439 4.043 1.00 0.00 C ATOM 263 O CYS A 25 -0.487 6.803 4.313 1.00 0.00 O ATOM 264 CB CYS A 25 -2.554 7.085 1.807 1.00 0.00 C ATOM 265 SG CYS A 25 -2.941 5.374 1.366 1.00 0.00 S ATOM 0 H CYS A 25 -1.307 8.923 3.877 1.00 0.00 H new ATOM 0 HA CYS A 25 -3.603 7.181 3.681 1.00 0.00 H new ATOM 0 HB2 CYS A 25 -3.259 7.747 1.304 1.00 0.00 H new ATOM 0 HB3 CYS A 25 -1.562 7.331 1.429 1.00 0.00 H new ATOM 0 HG CYS A 25 -2.177 4.568 2.042 1.00 0.00 H new ATOM 271 N SER A 26 -2.103 5.238 4.361 1.00 0.00 N ATOM 272 CA SER A 26 -1.282 4.258 5.061 1.00 0.00 C ATOM 273 C SER A 26 -1.021 3.045 4.177 1.00 0.00 C ATOM 274 O SER A 26 -1.572 2.936 3.083 1.00 0.00 O ATOM 275 CB SER A 26 -1.967 3.821 6.358 1.00 0.00 C ATOM 276 OG SER A 26 -2.103 4.908 7.255 1.00 0.00 O ATOM 0 H SER A 26 -3.048 4.920 4.145 1.00 0.00 H new ATOM 0 HA SER A 26 -0.327 4.724 5.303 1.00 0.00 H new ATOM 0 HB2 SER A 26 -2.950 3.407 6.132 1.00 0.00 H new ATOM 0 HB3 SER A 26 -1.387 3.027 6.829 1.00 0.00 H new ATOM 0 HG SER A 26 -2.802 4.705 7.912 1.00 0.00 H new ATOM 282 N ILE A 27 -0.175 2.139 4.652 1.00 0.00 N ATOM 283 CA ILE A 27 0.155 0.935 3.899 1.00 0.00 C ATOM 284 C ILE A 27 0.140 -0.296 4.798 1.00 0.00 C ATOM 285 O ILE A 27 0.574 -0.242 5.948 1.00 0.00 O ATOM 286 CB ILE A 27 1.537 1.048 3.225 1.00 0.00 C ATOM 287 CG1 ILE A 27 2.564 1.623 4.203 1.00 0.00 C ATOM 288 CG2 ILE A 27 1.445 1.909 1.974 1.00 0.00 C ATOM 289 CD1 ILE A 27 3.946 1.776 3.607 1.00 0.00 C ATOM 0 H ILE A 27 0.295 2.215 5.554 1.00 0.00 H new ATOM 0 HA ILE A 27 -0.607 0.829 3.127 1.00 0.00 H new ATOM 0 HB ILE A 27 1.865 0.050 2.933 1.00 0.00 H new ATOM 0 HG12 ILE A 27 2.217 2.596 4.551 1.00 0.00 H new ATOM 0 HG13 ILE A 27 2.624 0.975 5.077 1.00 0.00 H new ATOM 0 HG21 ILE A 27 2.428 1.980 1.508 1.00 0.00 H new ATOM 0 HG22 ILE A 27 0.743 1.458 1.273 1.00 0.00 H new ATOM 0 HG23 ILE A 27 1.098 2.907 2.244 1.00 0.00 H new ATOM 0 HD11 ILE A 27 4.622 2.189 4.356 1.00 0.00 H new ATOM 0 HD12 ILE A 27 4.313 0.802 3.285 1.00 0.00 H new ATOM 0 HD13 ILE A 27 3.900 2.448 2.750 1.00 0.00 H new ATOM 301 N SER A 28 -0.363 -1.403 4.263 1.00 0.00 N ATOM 302 CA SER A 28 -0.437 -2.650 5.017 1.00 0.00 C ATOM 303 C SER A 28 0.419 -3.730 4.363 1.00 0.00 C ATOM 304 O SER A 28 0.777 -3.627 3.190 1.00 0.00 O ATOM 305 CB SER A 28 -1.888 -3.124 5.116 1.00 0.00 C ATOM 306 OG SER A 28 -2.623 -2.768 3.958 1.00 0.00 O ATOM 0 H SER A 28 -0.725 -1.463 3.311 1.00 0.00 H new ATOM 0 HA SER A 28 -0.053 -2.464 6.020 1.00 0.00 H new ATOM 0 HB2 SER A 28 -1.912 -4.206 5.247 1.00 0.00 H new ATOM 0 HB3 SER A 28 -2.357 -2.686 5.997 1.00 0.00 H new ATOM 0 HG SER A 28 -3.348 -3.413 3.820 1.00 0.00 H new ATOM 312 N SER A 29 0.741 -4.766 5.130 1.00 0.00 N ATOM 313 CA SER A 29 1.554 -5.865 4.625 1.00 0.00 C ATOM 314 C SER A 29 0.696 -7.099 4.369 1.00 0.00 C ATOM 315 O SER A 29 -0.241 -7.382 5.116 1.00 0.00 O ATOM 316 CB SER A 29 2.669 -6.203 5.618 1.00 0.00 C ATOM 317 OG SER A 29 2.176 -6.236 6.945 1.00 0.00 O ATOM 0 H SER A 29 0.451 -4.867 6.103 1.00 0.00 H new ATOM 0 HA SER A 29 2.001 -5.550 3.682 1.00 0.00 H new ATOM 0 HB2 SER A 29 3.106 -7.169 5.365 1.00 0.00 H new ATOM 0 HB3 SER A 29 3.466 -5.463 5.541 1.00 0.00 H new ATOM 0 HG SER A 29 1.997 -5.322 7.250 1.00 0.00 H new ATOM 323 N GLY A 30 1.016 -7.828 3.306 1.00 0.00 N ATOM 324 CA GLY A 30 0.261 -9.020 2.969 1.00 0.00 C ATOM 325 C GLY A 30 0.841 -10.274 3.594 1.00 0.00 C ATOM 326 O GLY A 30 1.958 -10.255 4.111 1.00 0.00 O ATOM 0 H GLY A 30 1.785 -7.615 2.671 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -0.771 -8.898 3.299 1.00 0.00 H new ATOM 0 HA3 GLY A 30 0.237 -9.136 1.885 1.00 0.00 H new ATOM 330 N PRO A 31 0.096 -11.392 3.563 1.00 0.00 N ATOM 331 CA PRO A 31 0.550 -12.661 4.133 1.00 0.00 C ATOM 332 C PRO A 31 1.533 -13.386 3.220 1.00 0.00 C ATOM 333 O PRO A 31 2.065 -12.801 2.276 1.00 0.00 O ATOM 334 CB PRO A 31 -0.748 -13.457 4.267 1.00 0.00 C ATOM 335 CG PRO A 31 -1.609 -12.957 3.160 1.00 0.00 C ATOM 336 CD PRO A 31 -1.251 -11.506 2.966 1.00 0.00 C ATOM 0 HA PRO A 31 1.087 -12.526 5.072 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -0.568 -14.528 4.177 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -1.215 -13.293 5.238 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -1.436 -13.525 2.246 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -2.665 -13.067 3.409 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -1.245 -11.233 1.911 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -1.965 -10.848 3.461 1.00 0.00 H new ATOM 344 N ILE A 32 1.768 -14.661 3.506 1.00 0.00 N ATOM 345 CA ILE A 32 2.685 -15.468 2.711 1.00 0.00 C ATOM 346 C ILE A 32 2.156 -15.668 1.294 1.00 0.00 C ATOM 347 O ILE A 32 2.928 -15.845 0.353 1.00 0.00 O ATOM 348 CB ILE A 32 2.923 -16.846 3.359 1.00 0.00 C ATOM 349 CG1 ILE A 32 3.397 -16.678 4.804 1.00 0.00 C ATOM 350 CG2 ILE A 32 3.934 -17.648 2.553 1.00 0.00 C ATOM 351 CD1 ILE A 32 2.289 -16.822 5.824 1.00 0.00 C ATOM 0 H ILE A 32 1.335 -15.159 4.284 1.00 0.00 H new ATOM 0 HA ILE A 32 3.630 -14.926 2.668 1.00 0.00 H new ATOM 0 HB ILE A 32 1.981 -17.394 3.366 1.00 0.00 H new ATOM 0 HG12 ILE A 32 4.170 -17.417 5.013 1.00 0.00 H new ATOM 0 HG13 ILE A 32 3.857 -15.696 4.915 1.00 0.00 H new ATOM 0 HG21 ILE A 32 4.089 -18.618 3.026 1.00 0.00 H new ATOM 0 HG22 ILE A 32 3.558 -17.794 1.540 1.00 0.00 H new ATOM 0 HG23 ILE A 32 4.880 -17.108 2.515 1.00 0.00 H new ATOM 0 HD11 ILE A 32 2.698 -16.691 6.826 1.00 0.00 H new ATOM 0 HD12 ILE A 32 1.526 -16.065 5.642 1.00 0.00 H new ATOM 0 HD13 ILE A 32 1.844 -17.814 5.740 1.00 0.00 H new ATOM 363 N GLN A 33 0.836 -15.641 1.152 1.00 0.00 N ATOM 364 CA GLN A 33 0.203 -15.824 -0.147 1.00 0.00 C ATOM 365 C GLN A 33 0.484 -14.642 -1.071 1.00 0.00 C ATOM 366 O GLN A 33 0.483 -14.785 -2.294 1.00 0.00 O ATOM 367 CB GLN A 33 -1.307 -16.008 0.021 1.00 0.00 C ATOM 368 CG GLN A 33 -1.677 -17.060 1.054 1.00 0.00 C ATOM 369 CD GLN A 33 -1.194 -18.446 0.672 1.00 0.00 C ATOM 370 OE1 GLN A 33 -1.926 -19.222 0.058 1.00 0.00 O ATOM 371 NE2 GLN A 33 0.042 -18.762 1.035 1.00 0.00 N ATOM 0 H GLN A 33 0.183 -15.494 1.922 1.00 0.00 H new ATOM 0 HA GLN A 33 0.626 -16.720 -0.602 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -1.752 -15.055 0.309 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -1.741 -16.285 -0.940 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -1.250 -16.783 2.018 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -2.760 -17.078 1.178 1.00 0.00 H new ATOM 0 HE21 GLN A 33 0.613 -18.086 1.543 1.00 0.00 H new ATOM 0 HE22 GLN A 33 0.422 -19.681 0.806 1.00 0.00 H new ATOM 380 N LYS A 34 0.724 -13.474 -0.482 1.00 0.00 N ATOM 381 CA LYS A 34 1.005 -12.274 -1.261 1.00 0.00 C ATOM 382 C LYS A 34 1.790 -11.251 -0.439 1.00 0.00 C ATOM 383 O LYS A 34 1.283 -10.177 -0.118 1.00 0.00 O ATOM 384 CB LYS A 34 -0.301 -11.653 -1.763 1.00 0.00 C ATOM 385 CG LYS A 34 -0.631 -12.011 -3.203 1.00 0.00 C ATOM 386 CD LYS A 34 -2.043 -11.586 -3.575 1.00 0.00 C ATOM 387 CE LYS A 34 -2.079 -10.892 -4.927 1.00 0.00 C ATOM 388 NZ LYS A 34 -1.646 -11.795 -6.028 1.00 0.00 N ATOM 0 H LYS A 34 0.729 -13.334 0.528 1.00 0.00 H new ATOM 0 HA LYS A 34 1.617 -12.563 -2.116 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -1.119 -11.978 -1.120 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -0.236 -10.569 -1.673 1.00 0.00 H new ATOM 0 HG2 LYS A 34 0.083 -11.529 -3.871 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -0.525 -13.086 -3.345 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -2.693 -12.460 -3.597 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -2.435 -10.916 -2.810 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -3.090 -10.537 -5.126 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -1.432 -10.015 -4.902 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -1.749 -11.305 -6.940 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -0.650 -12.060 -5.888 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -2.236 -12.652 -6.026 1.00 0.00 H new ATOM 402 N PRO A 35 3.046 -11.574 -0.086 1.00 0.00 N ATOM 403 CA PRO A 35 3.901 -10.680 0.699 1.00 0.00 C ATOM 404 C PRO A 35 4.347 -9.462 -0.106 1.00 0.00 C ATOM 405 O PRO A 35 5.124 -9.583 -1.052 1.00 0.00 O ATOM 406 CB PRO A 35 5.115 -11.551 1.063 1.00 0.00 C ATOM 407 CG PRO A 35 4.740 -12.948 0.689 1.00 0.00 C ATOM 408 CD PRO A 35 3.735 -12.826 -0.418 1.00 0.00 C ATOM 0 HA PRO A 35 3.377 -10.282 1.568 1.00 0.00 H new ATOM 0 HB2 PRO A 35 6.005 -11.227 0.523 1.00 0.00 H new ATOM 0 HB3 PRO A 35 5.343 -11.479 2.126 1.00 0.00 H new ATOM 0 HG2 PRO A 35 5.614 -13.512 0.362 1.00 0.00 H new ATOM 0 HG3 PRO A 35 4.318 -13.480 1.542 1.00 0.00 H new ATOM 0 HD2 PRO A 35 4.213 -12.779 -1.396 1.00 0.00 H new ATOM 0 HD3 PRO A 35 3.049 -13.673 -0.439 1.00 0.00 H new ATOM 416 N GLY A 36 3.850 -8.289 0.274 1.00 0.00 N ATOM 417 CA GLY A 36 4.213 -7.072 -0.426 1.00 0.00 C ATOM 418 C GLY A 36 3.673 -5.828 0.250 1.00 0.00 C ATOM 419 O GLY A 36 3.155 -5.892 1.363 1.00 0.00 O ATOM 0 H GLY A 36 3.204 -8.160 1.053 1.00 0.00 H new ATOM 0 HA2 GLY A 36 5.299 -7.004 -0.490 1.00 0.00 H new ATOM 0 HA3 GLY A 36 3.836 -7.119 -1.448 1.00 0.00 H new ATOM 423 N ILE A 37 3.797 -4.689 -0.427 1.00 0.00 N ATOM 424 CA ILE A 37 3.321 -3.423 0.113 1.00 0.00 C ATOM 425 C ILE A 37 1.915 -3.109 -0.387 1.00 0.00 C ATOM 426 O ILE A 37 1.692 -2.961 -1.588 1.00 0.00 O ATOM 427 CB ILE A 37 4.260 -2.260 -0.264 1.00 0.00 C ATOM 428 CG1 ILE A 37 5.721 -2.676 -0.077 1.00 0.00 C ATOM 429 CG2 ILE A 37 3.943 -1.029 0.571 1.00 0.00 C ATOM 430 CD1 ILE A 37 6.084 -2.974 1.359 1.00 0.00 C ATOM 0 H ILE A 37 4.224 -4.619 -1.351 1.00 0.00 H new ATOM 0 HA ILE A 37 3.305 -3.528 1.198 1.00 0.00 H new ATOM 0 HB ILE A 37 4.103 -2.011 -1.314 1.00 0.00 H new ATOM 0 HG12 ILE A 37 5.920 -3.559 -0.684 1.00 0.00 H new ATOM 0 HG13 ILE A 37 6.367 -1.881 -0.449 1.00 0.00 H new ATOM 0 HG21 ILE A 37 4.615 -0.217 0.292 1.00 0.00 H new ATOM 0 HG22 ILE A 37 2.912 -0.724 0.393 1.00 0.00 H new ATOM 0 HG23 ILE A 37 4.075 -1.262 1.628 1.00 0.00 H new ATOM 0 HD11 ILE A 37 7.134 -3.262 1.417 1.00 0.00 H new ATOM 0 HD12 ILE A 37 5.918 -2.086 1.968 1.00 0.00 H new ATOM 0 HD13 ILE A 37 5.463 -3.790 1.730 1.00 0.00 H new ATOM 442 N PHE A 38 0.970 -3.015 0.544 1.00 0.00 N ATOM 443 CA PHE A 38 -0.417 -2.726 0.197 1.00 0.00 C ATOM 444 C PHE A 38 -0.831 -1.340 0.677 1.00 0.00 C ATOM 445 O PHE A 38 -0.068 -0.651 1.355 1.00 0.00 O ATOM 446 CB PHE A 38 -1.339 -3.787 0.797 1.00 0.00 C ATOM 447 CG PHE A 38 -1.024 -5.178 0.326 1.00 0.00 C ATOM 448 CD1 PHE A 38 0.047 -5.878 0.856 1.00 0.00 C ATOM 449 CD2 PHE A 38 -1.796 -5.782 -0.652 1.00 0.00 C ATOM 450 CE1 PHE A 38 0.342 -7.155 0.420 1.00 0.00 C ATOM 451 CE2 PHE A 38 -1.508 -7.058 -1.092 1.00 0.00 C ATOM 452 CZ PHE A 38 -0.437 -7.747 -0.555 1.00 0.00 C ATOM 0 H PHE A 38 1.139 -3.135 1.543 1.00 0.00 H new ATOM 0 HA PHE A 38 -0.504 -2.746 -0.889 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -1.263 -3.752 1.884 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -2.371 -3.549 0.541 1.00 0.00 H new ATOM 0 HD1 PHE A 38 0.659 -5.420 1.619 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -2.634 -5.248 -1.076 1.00 0.00 H new ATOM 0 HE1 PHE A 38 1.181 -7.690 0.841 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -2.119 -7.518 -1.855 1.00 0.00 H new ATOM 0 HZ PHE A 38 -0.210 -8.746 -0.897 1.00 0.00 H new ATOM 462 N ILE A 39 -2.044 -0.938 0.313 1.00 0.00 N ATOM 463 CA ILE A 39 -2.566 0.365 0.695 1.00 0.00 C ATOM 464 C ILE A 39 -3.651 0.234 1.762 1.00 0.00 C ATOM 465 O ILE A 39 -4.526 -0.628 1.674 1.00 0.00 O ATOM 466 CB ILE A 39 -3.132 1.118 -0.532 1.00 0.00 C ATOM 467 CG1 ILE A 39 -1.988 1.622 -1.415 1.00 0.00 C ATOM 468 CG2 ILE A 39 -4.023 2.276 -0.102 1.00 0.00 C ATOM 469 CD1 ILE A 39 -1.206 2.762 -0.801 1.00 0.00 C ATOM 0 H ILE A 39 -2.685 -1.500 -0.248 1.00 0.00 H new ATOM 0 HA ILE A 39 -1.736 0.938 1.108 1.00 0.00 H new ATOM 0 HB ILE A 39 -3.742 0.422 -1.108 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -1.308 0.795 -1.621 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -2.395 1.946 -2.373 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -4.407 2.787 -0.985 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -4.857 1.894 0.487 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -3.444 2.977 0.500 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -0.412 3.067 -1.482 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -1.873 3.605 -0.620 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -0.769 2.437 0.143 1.00 0.00 H new ATOM 481 N SER A 40 -3.583 1.102 2.763 1.00 0.00 N ATOM 482 CA SER A 40 -4.550 1.105 3.853 1.00 0.00 C ATOM 483 C SER A 40 -5.507 2.284 3.719 1.00 0.00 C ATOM 484 O SER A 40 -5.532 2.963 2.692 1.00 0.00 O ATOM 485 CB SER A 40 -3.831 1.161 5.203 1.00 0.00 C ATOM 486 OG SER A 40 -3.978 -0.059 5.910 1.00 0.00 O ATOM 0 H SER A 40 -2.862 1.819 2.842 1.00 0.00 H new ATOM 0 HA SER A 40 -5.128 0.182 3.800 1.00 0.00 H new ATOM 0 HB2 SER A 40 -2.773 1.369 5.047 1.00 0.00 H new ATOM 0 HB3 SER A 40 -4.232 1.981 5.799 1.00 0.00 H new ATOM 0 HG SER A 40 -4.120 0.129 6.861 1.00 0.00 H new ATOM 492 N HIS A 41 -6.295 2.523 4.762 1.00 0.00 N ATOM 493 CA HIS A 41 -7.260 3.619 4.765 1.00 0.00 C ATOM 494 C HIS A 41 -6.624 4.918 4.276 1.00 0.00 C ATOM 495 O HIS A 41 -5.477 5.225 4.605 1.00 0.00 O ATOM 496 CB HIS A 41 -7.832 3.815 6.171 1.00 0.00 C ATOM 497 CG HIS A 41 -9.329 3.815 6.214 1.00 0.00 C ATOM 498 ND1 HIS A 41 -10.109 4.474 5.287 1.00 0.00 N ATOM 499 CD2 HIS A 41 -10.192 3.233 7.082 1.00 0.00 C ATOM 500 CE1 HIS A 41 -11.385 4.298 5.583 1.00 0.00 C ATOM 501 NE2 HIS A 41 -11.461 3.550 6.667 1.00 0.00 N ATOM 0 H HIS A 41 -6.285 1.971 5.620 1.00 0.00 H new ATOM 0 HA HIS A 41 -8.067 3.357 4.081 1.00 0.00 H new ATOM 0 HB2 HIS A 41 -7.458 3.023 6.820 1.00 0.00 H new ATOM 0 HB3 HIS A 41 -7.465 4.758 6.575 1.00 0.00 H new ATOM 0 HD2 HIS A 41 -9.930 2.632 7.940 1.00 0.00 H new ATOM 0 HE1 HIS A 41 -12.223 4.698 5.031 1.00 0.00 H new ATOM 0 HE2 HIS A 41 -12.324 3.255 7.123 1.00 0.00 H new ATOM 510 N VAL A 42 -7.380 5.677 3.487 1.00 0.00 N ATOM 511 CA VAL A 42 -6.896 6.943 2.949 1.00 0.00 C ATOM 512 C VAL A 42 -7.635 8.120 3.579 1.00 0.00 C ATOM 513 O VAL A 42 -8.805 8.006 3.944 1.00 0.00 O ATOM 514 CB VAL A 42 -7.066 7.002 1.419 1.00 0.00 C ATOM 515 CG1 VAL A 42 -6.334 8.205 0.846 1.00 0.00 C ATOM 516 CG2 VAL A 42 -6.573 5.714 0.776 1.00 0.00 C ATOM 0 H VAL A 42 -8.331 5.436 3.206 1.00 0.00 H new ATOM 0 HA VAL A 42 -5.835 7.010 3.191 1.00 0.00 H new ATOM 0 HB VAL A 42 -8.127 7.110 1.195 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -6.466 8.230 -0.236 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -6.739 9.119 1.282 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -5.272 8.130 1.081 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -6.701 5.775 -0.305 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -5.518 5.572 1.009 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -7.146 4.872 1.163 1.00 0.00 H new ATOM 526 N LYS A 43 -6.944 9.249 3.707 1.00 0.00 N ATOM 527 CA LYS A 43 -7.539 10.444 4.297 1.00 0.00 C ATOM 528 C LYS A 43 -7.806 11.507 3.232 1.00 0.00 C ATOM 529 O LYS A 43 -6.984 11.722 2.342 1.00 0.00 O ATOM 530 CB LYS A 43 -6.619 11.013 5.379 1.00 0.00 C ATOM 531 CG LYS A 43 -6.034 9.956 6.303 1.00 0.00 C ATOM 532 CD LYS A 43 -5.725 10.528 7.676 1.00 0.00 C ATOM 533 CE LYS A 43 -6.991 10.746 8.488 1.00 0.00 C ATOM 534 NZ LYS A 43 -6.750 11.628 9.665 1.00 0.00 N ATOM 0 H LYS A 43 -5.974 9.362 3.411 1.00 0.00 H new ATOM 0 HA LYS A 43 -8.491 10.160 4.746 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -5.804 11.556 4.901 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -7.177 11.735 5.975 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -6.736 9.128 6.402 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -5.123 9.550 5.863 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -5.060 9.851 8.212 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -5.195 11.474 7.566 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -7.758 11.189 7.853 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -7.375 9.784 8.827 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -7.637 11.752 10.193 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -6.037 11.193 10.284 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -6.408 12.555 9.340 1.00 0.00 H new ATOM 548 N PRO A 44 -8.964 12.192 3.307 1.00 0.00 N ATOM 549 CA PRO A 44 -9.325 13.238 2.342 1.00 0.00 C ATOM 550 C PRO A 44 -8.331 14.397 2.352 1.00 0.00 C ATOM 551 O PRO A 44 -7.434 14.448 3.193 1.00 0.00 O ATOM 552 CB PRO A 44 -10.704 13.718 2.815 1.00 0.00 C ATOM 553 CG PRO A 44 -11.216 12.631 3.697 1.00 0.00 C ATOM 554 CD PRO A 44 -10.007 12.008 4.331 1.00 0.00 C ATOM 0 HA PRO A 44 -9.323 12.860 1.320 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -10.628 14.661 3.356 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -11.373 13.888 1.971 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -11.892 13.029 4.454 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -11.778 11.895 3.123 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -9.744 12.499 5.268 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -10.168 10.954 4.558 1.00 0.00 H new ATOM 562 N GLY A 45 -8.499 15.324 1.414 1.00 0.00 N ATOM 563 CA GLY A 45 -7.610 16.470 1.335 1.00 0.00 C ATOM 564 C GLY A 45 -6.147 16.070 1.302 1.00 0.00 C ATOM 565 O GLY A 45 -5.278 16.825 1.737 1.00 0.00 O ATOM 0 H GLY A 45 -9.234 15.303 0.707 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -7.846 17.047 0.441 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -7.786 17.122 2.191 1.00 0.00 H new ATOM 569 N SER A 46 -5.878 14.875 0.787 1.00 0.00 N ATOM 570 CA SER A 46 -4.514 14.367 0.700 1.00 0.00 C ATOM 571 C SER A 46 -4.146 14.045 -0.743 1.00 0.00 C ATOM 572 O SER A 46 -5.013 13.975 -1.615 1.00 0.00 O ATOM 573 CB SER A 46 -4.364 13.117 1.564 1.00 0.00 C ATOM 574 OG SER A 46 -5.081 13.248 2.778 1.00 0.00 O ATOM 0 H SER A 46 -6.588 14.239 0.423 1.00 0.00 H new ATOM 0 HA SER A 46 -3.838 15.140 1.065 1.00 0.00 H new ATOM 0 HB2 SER A 46 -4.726 12.247 1.016 1.00 0.00 H new ATOM 0 HB3 SER A 46 -3.309 12.943 1.778 1.00 0.00 H new ATOM 0 HG SER A 46 -6.031 13.069 2.618 1.00 0.00 H new ATOM 580 N LEU A 47 -2.856 13.847 -0.990 1.00 0.00 N ATOM 581 CA LEU A 47 -2.377 13.527 -2.330 1.00 0.00 C ATOM 582 C LEU A 47 -2.884 12.160 -2.771 1.00 0.00 C ATOM 583 O LEU A 47 -3.190 11.949 -3.945 1.00 0.00 O ATOM 584 CB LEU A 47 -0.850 13.557 -2.374 1.00 0.00 C ATOM 585 CG LEU A 47 -0.221 14.910 -2.041 1.00 0.00 C ATOM 586 CD1 LEU A 47 1.183 14.724 -1.491 1.00 0.00 C ATOM 587 CD2 LEU A 47 -0.201 15.803 -3.273 1.00 0.00 C ATOM 0 H LEU A 47 -2.124 13.902 -0.282 1.00 0.00 H new ATOM 0 HA LEU A 47 -2.764 14.280 -3.017 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -0.467 12.813 -1.676 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -0.524 13.257 -3.370 1.00 0.00 H new ATOM 0 HG LEU A 47 -0.826 15.394 -1.275 1.00 0.00 H new ATOM 0 HD11 LEU A 47 1.615 15.698 -1.260 1.00 0.00 H new ATOM 0 HD12 LEU A 47 1.142 14.121 -0.584 1.00 0.00 H new ATOM 0 HD13 LEU A 47 1.801 14.220 -2.234 1.00 0.00 H new ATOM 0 HD21 LEU A 47 0.250 16.763 -3.020 1.00 0.00 H new ATOM 0 HD22 LEU A 47 0.382 15.325 -4.060 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -1.221 15.962 -3.623 1.00 0.00 H new ATOM 599 N SER A 48 -2.976 11.233 -1.821 1.00 0.00 N ATOM 600 CA SER A 48 -3.451 9.884 -2.111 1.00 0.00 C ATOM 601 C SER A 48 -4.800 9.931 -2.824 1.00 0.00 C ATOM 602 O SER A 48 -5.043 9.177 -3.766 1.00 0.00 O ATOM 603 CB SER A 48 -3.574 9.077 -0.819 1.00 0.00 C ATOM 604 OG SER A 48 -4.245 9.820 0.183 1.00 0.00 O ATOM 0 H SER A 48 -2.728 11.392 -0.844 1.00 0.00 H new ATOM 0 HA SER A 48 -2.727 9.399 -2.766 1.00 0.00 H new ATOM 0 HB2 SER A 48 -4.116 8.152 -1.014 1.00 0.00 H new ATOM 0 HB3 SER A 48 -2.582 8.797 -0.465 1.00 0.00 H new ATOM 0 HG SER A 48 -3.613 10.432 0.615 1.00 0.00 H new ATOM 610 N ALA A 49 -5.669 10.830 -2.373 1.00 0.00 N ATOM 611 CA ALA A 49 -6.988 10.984 -2.971 1.00 0.00 C ATOM 612 C ALA A 49 -6.885 11.659 -4.332 1.00 0.00 C ATOM 613 O ALA A 49 -7.582 11.287 -5.277 1.00 0.00 O ATOM 614 CB ALA A 49 -7.892 11.790 -2.051 1.00 0.00 C ATOM 0 H ALA A 49 -5.482 11.463 -1.595 1.00 0.00 H new ATOM 0 HA ALA A 49 -7.421 9.993 -3.110 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -8.875 11.898 -2.510 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -7.992 11.274 -1.096 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -7.458 12.776 -1.887 1.00 0.00 H new ATOM 620 N GLU A 50 -6.006 12.652 -4.425 1.00 0.00 N ATOM 621 CA GLU A 50 -5.802 13.381 -5.668 1.00 0.00 C ATOM 622 C GLU A 50 -5.330 12.444 -6.774 1.00 0.00 C ATOM 623 O GLU A 50 -5.685 12.615 -7.940 1.00 0.00 O ATOM 624 CB GLU A 50 -4.784 14.505 -5.460 1.00 0.00 C ATOM 625 CG GLU A 50 -5.413 15.832 -5.074 1.00 0.00 C ATOM 626 CD GLU A 50 -5.955 16.591 -6.270 1.00 0.00 C ATOM 627 OE1 GLU A 50 -5.140 17.098 -7.070 1.00 0.00 O ATOM 628 OE2 GLU A 50 -7.194 16.681 -6.405 1.00 0.00 O ATOM 0 H GLU A 50 -5.423 12.970 -3.651 1.00 0.00 H new ATOM 0 HA GLU A 50 -6.755 13.816 -5.970 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -4.080 14.207 -4.683 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -4.210 14.638 -6.377 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -6.221 15.654 -4.365 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -4.671 16.447 -4.564 1.00 0.00 H new ATOM 635 N VAL A 51 -4.529 11.452 -6.399 1.00 0.00 N ATOM 636 CA VAL A 51 -4.009 10.485 -7.358 1.00 0.00 C ATOM 637 C VAL A 51 -5.028 9.386 -7.635 1.00 0.00 C ATOM 638 O VAL A 51 -5.074 8.829 -8.733 1.00 0.00 O ATOM 639 CB VAL A 51 -2.702 9.840 -6.858 1.00 0.00 C ATOM 640 CG1 VAL A 51 -1.596 10.879 -6.744 1.00 0.00 C ATOM 641 CG2 VAL A 51 -2.928 9.140 -5.526 1.00 0.00 C ATOM 0 H VAL A 51 -4.226 11.297 -5.437 1.00 0.00 H new ATOM 0 HA VAL A 51 -3.805 11.033 -8.278 1.00 0.00 H new ATOM 0 HB VAL A 51 -2.388 9.093 -7.587 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -0.683 10.401 -6.389 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -1.415 11.327 -7.721 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -1.897 11.655 -6.040 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -1.994 8.690 -5.188 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -3.270 9.865 -4.787 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -3.682 8.362 -5.647 1.00 0.00 H new ATOM 651 N GLY A 52 -5.844 9.076 -6.632 1.00 0.00 N ATOM 652 CA GLY A 52 -6.850 8.042 -6.786 1.00 0.00 C ATOM 653 C GLY A 52 -6.518 6.789 -5.999 1.00 0.00 C ATOM 654 O GLY A 52 -6.704 5.675 -6.486 1.00 0.00 O ATOM 0 H GLY A 52 -5.826 9.523 -5.715 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -7.816 8.427 -6.459 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -6.948 7.789 -7.842 1.00 0.00 H new ATOM 658 N LEU A 53 -6.025 6.974 -4.778 1.00 0.00 N ATOM 659 CA LEU A 53 -5.665 5.851 -3.922 1.00 0.00 C ATOM 660 C LEU A 53 -6.850 5.420 -3.064 1.00 0.00 C ATOM 661 O LEU A 53 -7.832 6.148 -2.929 1.00 0.00 O ATOM 662 CB LEU A 53 -4.481 6.221 -3.029 1.00 0.00 C ATOM 663 CG LEU A 53 -3.105 6.062 -3.679 1.00 0.00 C ATOM 664 CD1 LEU A 53 -2.024 6.653 -2.785 1.00 0.00 C ATOM 665 CD2 LEU A 53 -2.819 4.596 -3.966 1.00 0.00 C ATOM 0 H LEU A 53 -5.866 7.891 -4.360 1.00 0.00 H new ATOM 0 HA LEU A 53 -5.380 5.016 -4.562 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -4.597 7.256 -2.708 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -4.516 5.603 -2.131 1.00 0.00 H new ATOM 0 HG LEU A 53 -3.104 6.604 -4.625 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -1.051 6.532 -3.262 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -2.221 7.713 -2.628 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -2.024 6.138 -1.825 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -1.836 4.501 -4.428 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -2.837 4.032 -3.033 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -3.578 4.203 -4.643 1.00 0.00 H new ATOM 677 N GLU A 54 -6.747 4.228 -2.485 1.00 0.00 N ATOM 678 CA GLU A 54 -7.806 3.694 -1.637 1.00 0.00 C ATOM 679 C GLU A 54 -7.414 2.326 -1.085 1.00 0.00 C ATOM 680 O GLU A 54 -6.440 1.722 -1.536 1.00 0.00 O ATOM 681 CB GLU A 54 -9.114 3.585 -2.422 1.00 0.00 C ATOM 682 CG GLU A 54 -10.344 3.955 -1.608 1.00 0.00 C ATOM 683 CD GLU A 54 -11.122 5.108 -2.215 1.00 0.00 C ATOM 684 OE1 GLU A 54 -10.507 5.928 -2.929 1.00 0.00 O ATOM 685 OE2 GLU A 54 -12.345 5.191 -1.975 1.00 0.00 O ATOM 0 H GLU A 54 -5.940 3.613 -2.588 1.00 0.00 H new ATOM 0 HA GLU A 54 -7.952 4.379 -0.802 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -9.059 4.233 -3.296 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -9.224 2.564 -2.788 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -10.996 3.085 -1.526 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -10.039 4.221 -0.596 1.00 0.00 H new ATOM 692 N ILE A 55 -8.177 1.841 -0.113 1.00 0.00 N ATOM 693 CA ILE A 55 -7.903 0.541 0.489 1.00 0.00 C ATOM 694 C ILE A 55 -8.088 -0.575 -0.531 1.00 0.00 C ATOM 695 O ILE A 55 -9.077 -0.602 -1.264 1.00 0.00 O ATOM 696 CB ILE A 55 -8.811 0.273 1.704 1.00 0.00 C ATOM 697 CG1 ILE A 55 -8.809 1.476 2.650 1.00 0.00 C ATOM 698 CG2 ILE A 55 -8.354 -0.982 2.436 1.00 0.00 C ATOM 699 CD1 ILE A 55 -9.641 1.269 3.898 1.00 0.00 C ATOM 0 H ILE A 55 -8.987 2.325 0.274 1.00 0.00 H new ATOM 0 HA ILE A 55 -6.867 0.559 0.827 1.00 0.00 H new ATOM 0 HB ILE A 55 -9.830 0.117 1.350 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -7.782 1.697 2.941 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -9.183 2.349 2.115 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -9.004 -1.160 3.293 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -8.402 -1.836 1.760 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -7.328 -0.849 2.780 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -9.592 2.163 4.520 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -10.677 1.079 3.617 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -9.254 0.417 4.456 1.00 0.00 H new ATOM 711 N GLY A 56 -7.129 -1.493 -0.578 1.00 0.00 N ATOM 712 CA GLY A 56 -7.204 -2.596 -1.519 1.00 0.00 C ATOM 713 C GLY A 56 -6.127 -2.519 -2.586 1.00 0.00 C ATOM 714 O GLY A 56 -5.829 -3.512 -3.250 1.00 0.00 O ATOM 0 H GLY A 56 -6.301 -1.493 0.018 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -7.110 -3.538 -0.979 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -8.184 -2.598 -1.995 1.00 0.00 H new ATOM 718 N ASP A 57 -5.539 -1.340 -2.750 1.00 0.00 N ATOM 719 CA ASP A 57 -4.490 -1.142 -3.741 1.00 0.00 C ATOM 720 C ASP A 57 -3.201 -1.830 -3.306 1.00 0.00 C ATOM 721 O ASP A 57 -3.080 -2.279 -2.165 1.00 0.00 O ATOM 722 CB ASP A 57 -4.241 0.353 -3.952 1.00 0.00 C ATOM 723 CG ASP A 57 -5.248 0.976 -4.898 1.00 0.00 C ATOM 724 OD1 ASP A 57 -5.878 0.227 -5.673 1.00 0.00 O ATOM 725 OD2 ASP A 57 -5.406 2.216 -4.864 1.00 0.00 O ATOM 0 H ASP A 57 -5.771 -0.507 -2.209 1.00 0.00 H new ATOM 0 HA ASP A 57 -4.817 -1.585 -4.682 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -4.283 0.865 -2.991 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -3.236 0.499 -4.347 1.00 0.00 H new ATOM 730 N GLN A 58 -2.239 -1.915 -4.219 1.00 0.00 N ATOM 731 CA GLN A 58 -0.960 -2.554 -3.924 1.00 0.00 C ATOM 732 C GLN A 58 0.171 -1.906 -4.715 1.00 0.00 C ATOM 733 O GLN A 58 0.203 -1.982 -5.944 1.00 0.00 O ATOM 734 CB GLN A 58 -1.029 -4.047 -4.246 1.00 0.00 C ATOM 735 CG GLN A 58 -0.139 -4.904 -3.360 1.00 0.00 C ATOM 736 CD GLN A 58 1.098 -5.401 -4.082 1.00 0.00 C ATOM 737 OE1 GLN A 58 1.791 -4.636 -4.753 1.00 0.00 O ATOM 738 NE2 GLN A 58 1.382 -6.692 -3.946 1.00 0.00 N ATOM 0 H GLN A 58 -2.320 -1.550 -5.168 1.00 0.00 H new ATOM 0 HA GLN A 58 -0.755 -2.424 -2.861 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -2.061 -4.384 -4.145 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -0.745 -4.199 -5.287 1.00 0.00 H new ATOM 0 HG2 GLN A 58 0.162 -4.326 -2.487 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -0.710 -5.758 -2.995 1.00 0.00 H new ATOM 0 HE21 GLN A 58 0.780 -7.290 -3.380 1.00 0.00 H new ATOM 0 HE22 GLN A 58 2.202 -7.085 -4.408 1.00 0.00 H new ATOM 747 N ILE A 59 1.102 -1.276 -4.007 1.00 0.00 N ATOM 748 CA ILE A 59 2.234 -0.624 -4.653 1.00 0.00 C ATOM 749 C ILE A 59 3.173 -1.657 -5.262 1.00 0.00 C ATOM 750 O ILE A 59 3.748 -2.482 -4.553 1.00 0.00 O ATOM 751 CB ILE A 59 3.024 0.252 -3.661 1.00 0.00 C ATOM 752 CG1 ILE A 59 2.078 1.173 -2.886 1.00 0.00 C ATOM 753 CG2 ILE A 59 4.078 1.066 -4.395 1.00 0.00 C ATOM 754 CD1 ILE A 59 2.391 1.256 -1.408 1.00 0.00 C ATOM 0 H ILE A 59 1.095 -1.203 -2.990 1.00 0.00 H new ATOM 0 HA ILE A 59 1.831 0.014 -5.439 1.00 0.00 H new ATOM 0 HB ILE A 59 3.527 -0.402 -2.948 1.00 0.00 H new ATOM 0 HG12 ILE A 59 2.125 2.174 -3.316 1.00 0.00 H new ATOM 0 HG13 ILE A 59 1.055 0.819 -3.013 1.00 0.00 H new ATOM 0 HG21 ILE A 59 4.627 1.679 -3.680 1.00 0.00 H new ATOM 0 HG22 ILE A 59 4.769 0.393 -4.902 1.00 0.00 H new ATOM 0 HG23 ILE A 59 3.594 1.710 -5.129 1.00 0.00 H new ATOM 0 HD11 ILE A 59 1.681 1.926 -0.923 1.00 0.00 H new ATOM 0 HD12 ILE A 59 2.315 0.263 -0.964 1.00 0.00 H new ATOM 0 HD13 ILE A 59 3.402 1.639 -1.271 1.00 0.00 H new ATOM 766 N VAL A 60 3.312 -1.615 -6.582 1.00 0.00 N ATOM 767 CA VAL A 60 4.171 -2.557 -7.288 1.00 0.00 C ATOM 768 C VAL A 60 5.486 -1.908 -7.727 1.00 0.00 C ATOM 769 O VAL A 60 6.301 -2.544 -8.397 1.00 0.00 O ATOM 770 CB VAL A 60 3.453 -3.143 -8.522 1.00 0.00 C ATOM 771 CG1 VAL A 60 2.164 -3.842 -8.106 1.00 0.00 C ATOM 772 CG2 VAL A 60 3.167 -2.057 -9.552 1.00 0.00 C ATOM 0 H VAL A 60 2.841 -0.939 -7.184 1.00 0.00 H new ATOM 0 HA VAL A 60 4.399 -3.361 -6.588 1.00 0.00 H new ATOM 0 HB VAL A 60 4.112 -3.879 -8.982 1.00 0.00 H new ATOM 0 HG11 VAL A 60 1.670 -4.250 -8.988 1.00 0.00 H new ATOM 0 HG12 VAL A 60 2.396 -4.651 -7.414 1.00 0.00 H new ATOM 0 HG13 VAL A 60 1.503 -3.126 -7.618 1.00 0.00 H new ATOM 0 HG21 VAL A 60 2.661 -2.495 -10.412 1.00 0.00 H new ATOM 0 HG22 VAL A 60 2.530 -1.292 -9.107 1.00 0.00 H new ATOM 0 HG23 VAL A 60 4.105 -1.605 -9.875 1.00 0.00 H new ATOM 782 N GLU A 61 5.691 -0.648 -7.347 1.00 0.00 N ATOM 783 CA GLU A 61 6.912 0.066 -7.709 1.00 0.00 C ATOM 784 C GLU A 61 6.942 1.456 -7.082 1.00 0.00 C ATOM 785 O GLU A 61 5.897 2.052 -6.819 1.00 0.00 O ATOM 786 CB GLU A 61 7.032 0.178 -9.230 1.00 0.00 C ATOM 787 CG GLU A 61 8.435 0.514 -9.705 1.00 0.00 C ATOM 788 CD GLU A 61 8.482 0.882 -11.176 1.00 0.00 C ATOM 789 OE1 GLU A 61 7.982 1.971 -11.532 1.00 0.00 O ATOM 790 OE2 GLU A 61 9.018 0.082 -11.972 1.00 0.00 O ATOM 0 H GLU A 61 5.031 -0.104 -6.792 1.00 0.00 H new ATOM 0 HA GLU A 61 7.759 -0.502 -7.324 1.00 0.00 H new ATOM 0 HB2 GLU A 61 6.720 -0.764 -9.681 1.00 0.00 H new ATOM 0 HB3 GLU A 61 6.344 0.945 -9.585 1.00 0.00 H new ATOM 0 HG2 GLU A 61 8.825 1.343 -9.115 1.00 0.00 H new ATOM 0 HG3 GLU A 61 9.089 -0.340 -9.527 1.00 0.00 H new ATOM 797 N VAL A 62 8.148 1.969 -6.849 1.00 0.00 N ATOM 798 CA VAL A 62 8.319 3.291 -6.256 1.00 0.00 C ATOM 799 C VAL A 62 9.633 3.924 -6.703 1.00 0.00 C ATOM 800 O VAL A 62 10.702 3.578 -6.201 1.00 0.00 O ATOM 801 CB VAL A 62 8.285 3.229 -4.715 1.00 0.00 C ATOM 802 CG1 VAL A 62 8.391 4.625 -4.115 1.00 0.00 C ATOM 803 CG2 VAL A 62 7.020 2.531 -4.239 1.00 0.00 C ATOM 0 H VAL A 62 9.022 1.488 -7.063 1.00 0.00 H new ATOM 0 HA VAL A 62 7.486 3.904 -6.601 1.00 0.00 H new ATOM 0 HB VAL A 62 9.144 2.651 -4.376 1.00 0.00 H new ATOM 0 HG11 VAL A 62 8.365 4.557 -3.027 1.00 0.00 H new ATOM 0 HG12 VAL A 62 9.329 5.085 -4.427 1.00 0.00 H new ATOM 0 HG13 VAL A 62 7.555 5.234 -4.460 1.00 0.00 H new ATOM 0 HG21 VAL A 62 7.012 2.496 -3.150 1.00 0.00 H new ATOM 0 HG22 VAL A 62 6.147 3.081 -4.591 1.00 0.00 H new ATOM 0 HG23 VAL A 62 6.994 1.516 -4.635 1.00 0.00 H new ATOM 813 N ASN A 63 9.544 4.854 -7.647 1.00 0.00 N ATOM 814 CA ASN A 63 10.723 5.539 -8.162 1.00 0.00 C ATOM 815 C ASN A 63 11.695 4.547 -8.795 1.00 0.00 C ATOM 816 O ASN A 63 12.912 4.688 -8.669 1.00 0.00 O ATOM 817 CB ASN A 63 11.421 6.310 -7.041 1.00 0.00 C ATOM 818 CG ASN A 63 12.093 7.575 -7.541 1.00 0.00 C ATOM 819 OD1 ASN A 63 13.224 7.541 -8.023 1.00 0.00 O ATOM 820 ND2 ASN A 63 11.396 8.699 -7.424 1.00 0.00 N ATOM 0 H ASN A 63 8.666 5.151 -8.072 1.00 0.00 H new ATOM 0 HA ASN A 63 10.398 6.242 -8.929 1.00 0.00 H new ATOM 0 HB2 ASN A 63 10.692 6.568 -6.273 1.00 0.00 H new ATOM 0 HB3 ASN A 63 12.166 5.668 -6.571 1.00 0.00 H new ATOM 0 HD21 ASN A 63 11.796 9.582 -7.741 1.00 0.00 H new ATOM 0 HD22 ASN A 63 10.461 8.679 -7.018 1.00 0.00 H new ATOM 827 N GLY A 64 11.150 3.544 -9.476 1.00 0.00 N ATOM 828 CA GLY A 64 11.983 2.545 -10.118 1.00 0.00 C ATOM 829 C GLY A 64 12.147 1.298 -9.273 1.00 0.00 C ATOM 830 O GLY A 64 12.282 0.194 -9.800 1.00 0.00 O ATOM 0 H GLY A 64 10.146 3.406 -9.594 1.00 0.00 H new ATOM 0 HA2 GLY A 64 11.545 2.274 -11.079 1.00 0.00 H new ATOM 0 HA3 GLY A 64 12.964 2.972 -10.324 1.00 0.00 H new ATOM 834 N VAL A 65 12.138 1.474 -7.955 1.00 0.00 N ATOM 835 CA VAL A 65 12.287 0.353 -7.035 1.00 0.00 C ATOM 836 C VAL A 65 11.045 -0.532 -7.045 1.00 0.00 C ATOM 837 O VAL A 65 9.964 -0.105 -6.643 1.00 0.00 O ATOM 838 CB VAL A 65 12.549 0.840 -5.597 1.00 0.00 C ATOM 839 CG1 VAL A 65 12.841 -0.336 -4.678 1.00 0.00 C ATOM 840 CG2 VAL A 65 13.692 1.843 -5.570 1.00 0.00 C ATOM 0 H VAL A 65 12.029 2.381 -7.501 1.00 0.00 H new ATOM 0 HA VAL A 65 13.145 -0.227 -7.375 1.00 0.00 H new ATOM 0 HB VAL A 65 11.650 1.340 -5.235 1.00 0.00 H new ATOM 0 HG11 VAL A 65 13.023 0.029 -3.667 1.00 0.00 H new ATOM 0 HG12 VAL A 65 11.987 -1.013 -4.671 1.00 0.00 H new ATOM 0 HG13 VAL A 65 13.722 -0.868 -5.036 1.00 0.00 H new ATOM 0 HG21 VAL A 65 13.861 2.175 -4.545 1.00 0.00 H new ATOM 0 HG22 VAL A 65 14.598 1.373 -5.953 1.00 0.00 H new ATOM 0 HG23 VAL A 65 13.438 2.701 -6.192 1.00 0.00 H new ATOM 850 N ASP A 66 11.209 -1.766 -7.507 1.00 0.00 N ATOM 851 CA ASP A 66 10.101 -2.712 -7.570 1.00 0.00 C ATOM 852 C ASP A 66 9.603 -3.059 -6.170 1.00 0.00 C ATOM 853 O ASP A 66 10.371 -3.509 -5.322 1.00 0.00 O ATOM 854 CB ASP A 66 10.530 -3.984 -8.303 1.00 0.00 C ATOM 855 CG ASP A 66 10.044 -4.016 -9.739 1.00 0.00 C ATOM 856 OD1 ASP A 66 10.699 -3.393 -10.601 1.00 0.00 O ATOM 857 OD2 ASP A 66 9.009 -4.663 -10.002 1.00 0.00 O ATOM 0 H ASP A 66 12.098 -2.135 -7.843 1.00 0.00 H new ATOM 0 HA ASP A 66 9.285 -2.243 -8.120 1.00 0.00 H new ATOM 0 HB2 ASP A 66 11.617 -4.059 -8.289 1.00 0.00 H new ATOM 0 HB3 ASP A 66 10.143 -4.854 -7.772 1.00 0.00 H new ATOM 862 N PHE A 67 8.311 -2.848 -5.938 1.00 0.00 N ATOM 863 CA PHE A 67 7.710 -3.140 -4.643 1.00 0.00 C ATOM 864 C PHE A 67 7.056 -4.520 -4.639 1.00 0.00 C ATOM 865 O PHE A 67 6.178 -4.797 -3.821 1.00 0.00 O ATOM 866 CB PHE A 67 6.677 -2.068 -4.285 1.00 0.00 C ATOM 867 CG PHE A 67 7.232 -0.955 -3.442 1.00 0.00 C ATOM 868 CD1 PHE A 67 8.507 -0.461 -3.669 1.00 0.00 C ATOM 869 CD2 PHE A 67 6.478 -0.403 -2.418 1.00 0.00 C ATOM 870 CE1 PHE A 67 9.019 0.560 -2.894 1.00 0.00 C ATOM 871 CE2 PHE A 67 6.983 0.620 -1.641 1.00 0.00 C ATOM 872 CZ PHE A 67 8.256 1.104 -1.879 1.00 0.00 C ATOM 0 H PHE A 67 7.661 -2.476 -6.630 1.00 0.00 H new ATOM 0 HA PHE A 67 8.502 -3.136 -3.895 1.00 0.00 H new ATOM 0 HB2 PHE A 67 6.269 -1.647 -5.204 1.00 0.00 H new ATOM 0 HB3 PHE A 67 5.849 -2.537 -3.754 1.00 0.00 H new ATOM 0 HD1 PHE A 67 9.108 -0.880 -4.463 1.00 0.00 H new ATOM 0 HD2 PHE A 67 5.484 -0.778 -2.226 1.00 0.00 H new ATOM 0 HE1 PHE A 67 10.015 0.933 -3.081 1.00 0.00 H new ATOM 0 HE2 PHE A 67 6.384 1.042 -0.848 1.00 0.00 H new ATOM 0 HZ PHE A 67 8.653 1.905 -1.273 1.00 0.00 H new ATOM 882 N SER A 68 7.490 -5.384 -5.552 1.00 0.00 N ATOM 883 CA SER A 68 6.947 -6.734 -5.645 1.00 0.00 C ATOM 884 C SER A 68 7.459 -7.597 -4.498 1.00 0.00 C ATOM 885 O SER A 68 6.728 -8.424 -3.952 1.00 0.00 O ATOM 886 CB SER A 68 7.324 -7.368 -6.984 1.00 0.00 C ATOM 887 OG SER A 68 6.608 -8.571 -7.200 1.00 0.00 O ATOM 0 H SER A 68 8.216 -5.173 -6.237 1.00 0.00 H new ATOM 0 HA SER A 68 5.861 -6.671 -5.577 1.00 0.00 H new ATOM 0 HB2 SER A 68 7.116 -6.667 -7.793 1.00 0.00 H new ATOM 0 HB3 SER A 68 8.395 -7.570 -7.005 1.00 0.00 H new ATOM 0 HG SER A 68 6.867 -8.955 -8.064 1.00 0.00 H new ATOM 893 N ASN A 69 8.721 -7.393 -4.134 1.00 0.00 N ATOM 894 CA ASN A 69 9.338 -8.145 -3.048 1.00 0.00 C ATOM 895 C ASN A 69 9.998 -7.204 -2.047 1.00 0.00 C ATOM 896 O ASN A 69 10.977 -7.565 -1.391 1.00 0.00 O ATOM 897 CB ASN A 69 10.370 -9.128 -3.603 1.00 0.00 C ATOM 898 CG ASN A 69 11.311 -8.479 -4.600 1.00 0.00 C ATOM 899 OD1 ASN A 69 11.012 -8.404 -5.792 1.00 0.00 O ATOM 900 ND2 ASN A 69 12.452 -8.006 -4.116 1.00 0.00 N ATOM 0 H ASN A 69 9.337 -6.711 -4.577 1.00 0.00 H new ATOM 0 HA ASN A 69 8.557 -8.705 -2.533 1.00 0.00 H new ATOM 0 HB2 ASN A 69 10.949 -9.545 -2.779 1.00 0.00 H new ATOM 0 HB3 ASN A 69 9.854 -9.959 -4.083 1.00 0.00 H new ATOM 0 HD21 ASN A 69 13.124 -7.558 -4.739 1.00 0.00 H new ATOM 0 HD22 ASN A 69 12.658 -8.090 -3.121 1.00 0.00 H new ATOM 907 N LEU A 70 9.459 -5.994 -1.936 1.00 0.00 N ATOM 908 CA LEU A 70 9.997 -4.998 -1.017 1.00 0.00 C ATOM 909 C LEU A 70 9.466 -5.219 0.397 1.00 0.00 C ATOM 910 O LEU A 70 8.340 -5.680 0.583 1.00 0.00 O ATOM 911 CB LEU A 70 9.636 -3.589 -1.494 1.00 0.00 C ATOM 912 CG LEU A 70 10.324 -2.451 -0.736 1.00 0.00 C ATOM 913 CD1 LEU A 70 11.385 -1.791 -1.604 1.00 0.00 C ATOM 914 CD2 LEU A 70 9.303 -1.425 -0.269 1.00 0.00 C ATOM 0 H LEU A 70 8.650 -5.680 -2.471 1.00 0.00 H new ATOM 0 HA LEU A 70 11.082 -5.103 -0.999 1.00 0.00 H new ATOM 0 HB2 LEU A 70 9.887 -3.505 -2.551 1.00 0.00 H new ATOM 0 HB3 LEU A 70 8.557 -3.460 -1.411 1.00 0.00 H new ATOM 0 HG LEU A 70 10.814 -2.873 0.142 1.00 0.00 H new ATOM 0 HD11 LEU A 70 11.862 -0.985 -1.046 1.00 0.00 H new ATOM 0 HD12 LEU A 70 12.135 -2.530 -1.887 1.00 0.00 H new ATOM 0 HD13 LEU A 70 10.919 -1.385 -2.502 1.00 0.00 H new ATOM 0 HD21 LEU A 70 9.811 -0.624 0.268 1.00 0.00 H new ATOM 0 HD22 LEU A 70 8.783 -1.010 -1.132 1.00 0.00 H new ATOM 0 HD23 LEU A 70 8.582 -1.905 0.393 1.00 0.00 H new ATOM 926 N ASP A 71 10.285 -4.888 1.389 1.00 0.00 N ATOM 927 CA ASP A 71 9.900 -5.052 2.786 1.00 0.00 C ATOM 928 C ASP A 71 9.026 -3.892 3.250 1.00 0.00 C ATOM 929 O ASP A 71 9.050 -2.810 2.663 1.00 0.00 O ATOM 930 CB ASP A 71 11.143 -5.156 3.670 1.00 0.00 C ATOM 931 CG ASP A 71 10.987 -6.191 4.768 1.00 0.00 C ATOM 932 OD1 ASP A 71 9.899 -6.247 5.380 1.00 0.00 O ATOM 933 OD2 ASP A 71 11.952 -6.943 5.017 1.00 0.00 O ATOM 0 H ASP A 71 11.220 -4.504 1.252 1.00 0.00 H new ATOM 0 HA ASP A 71 9.324 -5.973 2.872 1.00 0.00 H new ATOM 0 HB2 ASP A 71 12.004 -5.412 3.053 1.00 0.00 H new ATOM 0 HB3 ASP A 71 11.350 -4.184 4.118 1.00 0.00 H new ATOM 938 N HIS A 72 8.255 -4.124 4.308 1.00 0.00 N ATOM 939 CA HIS A 72 7.373 -3.097 4.853 1.00 0.00 C ATOM 940 C HIS A 72 8.160 -1.849 5.239 1.00 0.00 C ATOM 941 O HIS A 72 7.836 -0.742 4.809 1.00 0.00 O ATOM 942 CB HIS A 72 6.618 -3.636 6.070 1.00 0.00 C ATOM 943 CG HIS A 72 5.494 -2.753 6.516 1.00 0.00 C ATOM 944 ND1 HIS A 72 4.825 -2.932 7.709 1.00 0.00 N ATOM 945 CD2 HIS A 72 4.923 -1.679 5.923 1.00 0.00 C ATOM 946 CE1 HIS A 72 3.889 -2.006 7.828 1.00 0.00 C ATOM 947 NE2 HIS A 72 3.930 -1.233 6.759 1.00 0.00 N ATOM 0 H HIS A 72 8.223 -5.014 4.805 1.00 0.00 H new ATOM 0 HA HIS A 72 6.655 -2.825 4.080 1.00 0.00 H new ATOM 0 HB2 HIS A 72 6.222 -4.623 5.833 1.00 0.00 H new ATOM 0 HB3 HIS A 72 7.319 -3.763 6.895 1.00 0.00 H new ATOM 0 HD2 HIS A 72 5.197 -1.252 4.970 1.00 0.00 H new ATOM 0 HE1 HIS A 72 3.207 -1.900 8.659 1.00 0.00 H new ATOM 0 HE2 HIS A 72 3.322 -0.433 6.583 1.00 0.00 H new ATOM 956 N LYS A 73 9.193 -2.034 6.053 1.00 0.00 N ATOM 957 CA LYS A 73 10.028 -0.922 6.496 1.00 0.00 C ATOM 958 C LYS A 73 10.648 -0.199 5.303 1.00 0.00 C ATOM 959 O LYS A 73 10.759 1.027 5.298 1.00 0.00 O ATOM 960 CB LYS A 73 11.131 -1.425 7.431 1.00 0.00 C ATOM 961 CG LYS A 73 12.035 -2.471 6.796 1.00 0.00 C ATOM 962 CD LYS A 73 13.116 -2.931 7.760 1.00 0.00 C ATOM 963 CE LYS A 73 12.682 -4.162 8.539 1.00 0.00 C ATOM 964 NZ LYS A 73 13.761 -4.663 9.434 1.00 0.00 N ATOM 0 H LYS A 73 9.473 -2.944 6.420 1.00 0.00 H new ATOM 0 HA LYS A 73 9.395 -0.218 7.037 1.00 0.00 H new ATOM 0 HB2 LYS A 73 11.738 -0.579 7.752 1.00 0.00 H new ATOM 0 HB3 LYS A 73 10.673 -1.847 8.326 1.00 0.00 H new ATOM 0 HG2 LYS A 73 11.438 -3.327 6.482 1.00 0.00 H new ATOM 0 HG3 LYS A 73 12.497 -2.058 5.899 1.00 0.00 H new ATOM 0 HD2 LYS A 73 14.028 -3.153 7.206 1.00 0.00 H new ATOM 0 HD3 LYS A 73 13.353 -2.125 8.454 1.00 0.00 H new ATOM 0 HE2 LYS A 73 11.800 -3.923 9.133 1.00 0.00 H new ATOM 0 HE3 LYS A 73 12.394 -4.949 7.842 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 13.425 -5.503 9.947 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 14.594 -4.915 8.865 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 14.019 -3.921 10.116 1.00 0.00 H new ATOM 978 N GLU A 74 11.048 -0.967 4.297 1.00 0.00 N ATOM 979 CA GLU A 74 11.655 -0.401 3.098 1.00 0.00 C ATOM 980 C GLU A 74 10.676 0.523 2.379 1.00 0.00 C ATOM 981 O GLU A 74 11.041 1.615 1.945 1.00 0.00 O ATOM 982 CB GLU A 74 12.115 -1.517 2.158 1.00 0.00 C ATOM 983 CG GLU A 74 13.626 -1.656 2.070 1.00 0.00 C ATOM 984 CD GLU A 74 14.146 -2.875 2.809 1.00 0.00 C ATOM 985 OE1 GLU A 74 14.224 -2.824 4.055 1.00 0.00 O ATOM 986 OE2 GLU A 74 14.474 -3.879 2.143 1.00 0.00 O ATOM 0 H GLU A 74 10.963 -1.983 4.287 1.00 0.00 H new ATOM 0 HA GLU A 74 12.523 0.186 3.400 1.00 0.00 H new ATOM 0 HB2 GLU A 74 11.691 -2.463 2.496 1.00 0.00 H new ATOM 0 HB3 GLU A 74 11.718 -1.327 1.161 1.00 0.00 H new ATOM 0 HG2 GLU A 74 13.921 -1.718 1.022 1.00 0.00 H new ATOM 0 HG3 GLU A 74 14.094 -0.761 2.480 1.00 0.00 H new ATOM 993 N ALA A 75 9.429 0.075 2.258 1.00 0.00 N ATOM 994 CA ALA A 75 8.397 0.862 1.594 1.00 0.00 C ATOM 995 C ALA A 75 8.200 2.201 2.292 1.00 0.00 C ATOM 996 O ALA A 75 8.119 3.245 1.644 1.00 0.00 O ATOM 997 CB ALA A 75 7.088 0.088 1.554 1.00 0.00 C ATOM 0 H ALA A 75 9.110 -0.827 2.611 1.00 0.00 H new ATOM 0 HA ALA A 75 8.722 1.057 0.572 1.00 0.00 H new ATOM 0 HB1 ALA A 75 6.326 0.687 1.056 1.00 0.00 H new ATOM 0 HB2 ALA A 75 7.233 -0.843 1.007 1.00 0.00 H new ATOM 0 HB3 ALA A 75 6.766 -0.135 2.571 1.00 0.00 H new ATOM 1003 N VAL A 76 8.123 2.165 3.617 1.00 0.00 N ATOM 1004 CA VAL A 76 7.936 3.377 4.402 1.00 0.00 C ATOM 1005 C VAL A 76 9.182 4.255 4.354 1.00 0.00 C ATOM 1006 O VAL A 76 9.091 5.472 4.213 1.00 0.00 O ATOM 1007 CB VAL A 76 7.610 3.049 5.873 1.00 0.00 C ATOM 1008 CG1 VAL A 76 7.285 4.317 6.647 1.00 0.00 C ATOM 1009 CG2 VAL A 76 6.460 2.055 5.956 1.00 0.00 C ATOM 0 H VAL A 76 8.187 1.310 4.169 1.00 0.00 H new ATOM 0 HA VAL A 76 7.095 3.914 3.963 1.00 0.00 H new ATOM 0 HB VAL A 76 8.490 2.592 6.326 1.00 0.00 H new ATOM 0 HG11 VAL A 76 7.058 4.063 7.682 1.00 0.00 H new ATOM 0 HG12 VAL A 76 8.141 4.991 6.618 1.00 0.00 H new ATOM 0 HG13 VAL A 76 6.422 4.807 6.196 1.00 0.00 H new ATOM 0 HG21 VAL A 76 6.244 1.835 7.001 1.00 0.00 H new ATOM 0 HG22 VAL A 76 5.575 2.482 5.484 1.00 0.00 H new ATOM 0 HG23 VAL A 76 6.737 1.135 5.442 1.00 0.00 H new ATOM 1019 N ASN A 77 10.347 3.624 4.471 1.00 0.00 N ATOM 1020 CA ASN A 77 11.617 4.345 4.443 1.00 0.00 C ATOM 1021 C ASN A 77 11.755 5.175 3.171 1.00 0.00 C ATOM 1022 O ASN A 77 11.916 6.393 3.229 1.00 0.00 O ATOM 1023 CB ASN A 77 12.784 3.363 4.551 1.00 0.00 C ATOM 1024 CG ASN A 77 13.969 3.953 5.289 1.00 0.00 C ATOM 1025 OD1 ASN A 77 13.911 4.184 6.497 1.00 0.00 O ATOM 1026 ND2 ASN A 77 15.056 4.198 4.565 1.00 0.00 N ATOM 0 H ASN A 77 10.438 2.615 4.586 1.00 0.00 H new ATOM 0 HA ASN A 77 11.635 5.023 5.296 1.00 0.00 H new ATOM 0 HB2 ASN A 77 12.451 2.462 5.066 1.00 0.00 H new ATOM 0 HB3 ASN A 77 13.096 3.062 3.551 1.00 0.00 H new ATOM 0 HD21 ASN A 77 15.886 4.593 5.008 1.00 0.00 H new ATOM 0 HD22 ASN A 77 15.061 3.991 3.566 1.00 0.00 H new ATOM 1033 N VAL A 78 11.695 4.508 2.023 1.00 0.00 N ATOM 1034 CA VAL A 78 11.816 5.189 0.740 1.00 0.00 C ATOM 1035 C VAL A 78 10.736 6.253 0.577 1.00 0.00 C ATOM 1036 O VAL A 78 10.997 7.346 0.075 1.00 0.00 O ATOM 1037 CB VAL A 78 11.731 4.196 -0.433 1.00 0.00 C ATOM 1038 CG1 VAL A 78 12.900 3.226 -0.393 1.00 0.00 C ATOM 1039 CG2 VAL A 78 10.408 3.447 -0.406 1.00 0.00 C ATOM 0 H VAL A 78 11.564 3.499 1.955 1.00 0.00 H new ATOM 0 HA VAL A 78 12.795 5.668 0.727 1.00 0.00 H new ATOM 0 HB VAL A 78 11.784 4.758 -1.365 1.00 0.00 H new ATOM 0 HG11 VAL A 78 12.825 2.531 -1.229 1.00 0.00 H new ATOM 0 HG12 VAL A 78 13.836 3.781 -0.465 1.00 0.00 H new ATOM 0 HG13 VAL A 78 12.879 2.670 0.544 1.00 0.00 H new ATOM 0 HG21 VAL A 78 10.367 2.750 -1.243 1.00 0.00 H new ATOM 0 HG22 VAL A 78 10.321 2.895 0.530 1.00 0.00 H new ATOM 0 HG23 VAL A 78 9.586 4.158 -0.486 1.00 0.00 H new ATOM 1049 N LEU A 79 9.522 5.926 1.010 1.00 0.00 N ATOM 1050 CA LEU A 79 8.402 6.857 0.915 1.00 0.00 C ATOM 1051 C LEU A 79 8.601 8.038 1.862 1.00 0.00 C ATOM 1052 O LEU A 79 8.133 9.145 1.596 1.00 0.00 O ATOM 1053 CB LEU A 79 7.087 6.140 1.235 1.00 0.00 C ATOM 1054 CG LEU A 79 6.329 5.597 0.021 1.00 0.00 C ATOM 1055 CD1 LEU A 79 5.710 6.737 -0.775 1.00 0.00 C ATOM 1056 CD2 LEU A 79 7.251 4.769 -0.862 1.00 0.00 C ATOM 0 H LEU A 79 9.289 5.026 1.429 1.00 0.00 H new ATOM 0 HA LEU A 79 8.357 7.237 -0.106 1.00 0.00 H new ATOM 0 HB2 LEU A 79 7.298 5.312 1.911 1.00 0.00 H new ATOM 0 HB3 LEU A 79 6.436 6.831 1.771 1.00 0.00 H new ATOM 0 HG LEU A 79 5.527 4.951 0.379 1.00 0.00 H new ATOM 0 HD11 LEU A 79 5.175 6.332 -1.634 1.00 0.00 H new ATOM 0 HD12 LEU A 79 5.015 7.288 -0.141 1.00 0.00 H new ATOM 0 HD13 LEU A 79 6.496 7.409 -1.120 1.00 0.00 H new ATOM 0 HD21 LEU A 79 6.693 4.392 -1.719 1.00 0.00 H new ATOM 0 HD22 LEU A 79 8.076 5.391 -1.211 1.00 0.00 H new ATOM 0 HD23 LEU A 79 7.646 3.930 -0.289 1.00 0.00 H new ATOM 1068 N LYS A 80 9.300 7.794 2.967 1.00 0.00 N ATOM 1069 CA LYS A 80 9.565 8.837 3.952 1.00 0.00 C ATOM 1070 C LYS A 80 10.763 9.685 3.537 1.00 0.00 C ATOM 1071 O LYS A 80 10.814 10.884 3.815 1.00 0.00 O ATOM 1072 CB LYS A 80 9.822 8.214 5.328 1.00 0.00 C ATOM 1073 CG LYS A 80 8.640 8.316 6.277 1.00 0.00 C ATOM 1074 CD LYS A 80 7.378 7.726 5.668 1.00 0.00 C ATOM 1075 CE LYS A 80 6.270 7.597 6.700 1.00 0.00 C ATOM 1076 NZ LYS A 80 5.599 8.899 6.962 1.00 0.00 N ATOM 0 H LYS A 80 9.693 6.883 3.202 1.00 0.00 H new ATOM 0 HA LYS A 80 8.687 9.481 4.008 1.00 0.00 H new ATOM 0 HB2 LYS A 80 10.082 7.164 5.198 1.00 0.00 H new ATOM 0 HB3 LYS A 80 10.684 8.702 5.782 1.00 0.00 H new ATOM 0 HG2 LYS A 80 8.873 7.796 7.206 1.00 0.00 H new ATOM 0 HG3 LYS A 80 8.467 9.362 6.532 1.00 0.00 H new ATOM 0 HD2 LYS A 80 7.040 8.357 4.846 1.00 0.00 H new ATOM 0 HD3 LYS A 80 7.600 6.746 5.246 1.00 0.00 H new ATOM 0 HE2 LYS A 80 5.533 6.873 6.353 1.00 0.00 H new ATOM 0 HE3 LYS A 80 6.684 7.209 7.630 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 4.850 8.767 7.671 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 6.296 9.583 7.318 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 5.181 9.258 6.080 1.00 0.00 H new ATOM 1090 N SER A 81 11.725 9.053 2.875 1.00 0.00 N ATOM 1091 CA SER A 81 12.928 9.746 2.427 1.00 0.00 C ATOM 1092 C SER A 81 12.601 10.782 1.357 1.00 0.00 C ATOM 1093 O SER A 81 12.844 11.975 1.541 1.00 0.00 O ATOM 1094 CB SER A 81 13.946 8.741 1.885 1.00 0.00 C ATOM 1095 OG SER A 81 15.267 9.106 2.247 1.00 0.00 O ATOM 0 H SER A 81 11.696 8.062 2.636 1.00 0.00 H new ATOM 0 HA SER A 81 13.356 10.264 3.285 1.00 0.00 H new ATOM 0 HB2 SER A 81 13.721 7.747 2.272 1.00 0.00 H new ATOM 0 HB3 SER A 81 13.865 8.687 0.799 1.00 0.00 H new ATOM 0 HG SER A 81 15.898 8.447 1.890 1.00 0.00 H new ATOM 1101 N SER A 82 12.054 10.321 0.237 1.00 0.00 N ATOM 1102 CA SER A 82 11.702 11.211 -0.862 1.00 0.00 C ATOM 1103 C SER A 82 10.232 11.615 -0.791 1.00 0.00 C ATOM 1104 O SER A 82 9.347 10.763 -0.712 1.00 0.00 O ATOM 1105 CB SER A 82 11.994 10.538 -2.205 1.00 0.00 C ATOM 1106 OG SER A 82 13.257 10.936 -2.710 1.00 0.00 O ATOM 0 H SER A 82 11.845 9.337 0.067 1.00 0.00 H new ATOM 0 HA SER A 82 12.310 12.111 -0.774 1.00 0.00 H new ATOM 0 HB2 SER A 82 11.971 9.455 -2.085 1.00 0.00 H new ATOM 0 HB3 SER A 82 11.214 10.796 -2.922 1.00 0.00 H new ATOM 0 HG SER A 82 13.421 10.491 -3.568 1.00 0.00 H new ATOM 1112 N ARG A 83 9.981 12.920 -0.826 1.00 0.00 N ATOM 1113 CA ARG A 83 8.618 13.438 -0.772 1.00 0.00 C ATOM 1114 C ARG A 83 7.936 13.304 -2.130 1.00 0.00 C ATOM 1115 O ARG A 83 6.792 12.861 -2.221 1.00 0.00 O ATOM 1116 CB ARG A 83 8.626 14.905 -0.331 1.00 0.00 C ATOM 1117 CG ARG A 83 8.337 15.096 1.150 1.00 0.00 C ATOM 1118 CD ARG A 83 9.572 15.559 1.909 1.00 0.00 C ATOM 1119 NE ARG A 83 9.438 16.936 2.384 1.00 0.00 N ATOM 1120 CZ ARG A 83 8.709 17.289 3.439 1.00 0.00 C ATOM 1121 NH1 ARG A 83 8.042 16.373 4.131 1.00 0.00 N ATOM 1122 NH2 ARG A 83 8.643 18.562 3.804 1.00 0.00 N ATOM 0 H ARG A 83 10.703 13.638 -0.891 1.00 0.00 H new ATOM 0 HA ARG A 83 8.057 12.852 -0.044 1.00 0.00 H new ATOM 0 HB2 ARG A 83 9.598 15.340 -0.562 1.00 0.00 H new ATOM 0 HB3 ARG A 83 7.885 15.454 -0.911 1.00 0.00 H new ATOM 0 HG2 ARG A 83 7.538 15.827 1.274 1.00 0.00 H new ATOM 0 HG3 ARG A 83 7.979 14.158 1.575 1.00 0.00 H new ATOM 0 HD2 ARG A 83 9.745 14.898 2.758 1.00 0.00 H new ATOM 0 HD3 ARG A 83 10.446 15.482 1.262 1.00 0.00 H new ATOM 0 HE ARG A 83 9.933 17.669 1.876 1.00 0.00 H new ATOM 0 HH11 ARG A 83 8.087 15.392 3.855 1.00 0.00 H new ATOM 0 HH12 ARG A 83 7.485 16.650 4.939 1.00 0.00 H new ATOM 0 HH21 ARG A 83 9.151 19.271 3.276 1.00 0.00 H new ATOM 0 HH22 ARG A 83 8.084 18.832 4.613 1.00 0.00 H new ATOM 1136 N SER A 84 8.652 13.686 -3.182 1.00 0.00 N ATOM 1137 CA SER A 84 8.123 13.609 -4.539 1.00 0.00 C ATOM 1138 C SER A 84 8.660 12.374 -5.257 1.00 0.00 C ATOM 1139 O SER A 84 9.730 12.415 -5.864 1.00 0.00 O ATOM 1140 CB SER A 84 8.487 14.869 -5.323 1.00 0.00 C ATOM 1141 OG SER A 84 7.573 15.094 -6.383 1.00 0.00 O ATOM 0 H SER A 84 9.602 14.053 -3.121 1.00 0.00 H new ATOM 0 HA SER A 84 7.037 13.531 -4.478 1.00 0.00 H new ATOM 0 HB2 SER A 84 8.491 15.729 -4.653 1.00 0.00 H new ATOM 0 HB3 SER A 84 9.496 14.773 -5.723 1.00 0.00 H new ATOM 0 HG SER A 84 7.449 14.264 -6.890 1.00 0.00 H new ATOM 1147 N LEU A 85 7.914 11.277 -5.178 1.00 0.00 N ATOM 1148 CA LEU A 85 8.322 10.029 -5.817 1.00 0.00 C ATOM 1149 C LEU A 85 7.174 9.416 -6.613 1.00 0.00 C ATOM 1150 O LEU A 85 6.014 9.492 -6.210 1.00 0.00 O ATOM 1151 CB LEU A 85 8.820 9.025 -4.769 1.00 0.00 C ATOM 1152 CG LEU A 85 8.534 9.393 -3.310 1.00 0.00 C ATOM 1153 CD1 LEU A 85 7.035 9.410 -3.049 1.00 0.00 C ATOM 1154 CD2 LEU A 85 9.228 8.420 -2.369 1.00 0.00 C ATOM 0 H LEU A 85 7.026 11.226 -4.679 1.00 0.00 H new ATOM 0 HA LEU A 85 9.135 10.261 -6.505 1.00 0.00 H new ATOM 0 HB2 LEU A 85 8.366 8.056 -4.976 1.00 0.00 H new ATOM 0 HB3 LEU A 85 9.897 8.905 -4.890 1.00 0.00 H new ATOM 0 HG LEU A 85 8.928 10.392 -3.123 1.00 0.00 H new ATOM 0 HD11 LEU A 85 6.850 9.673 -2.008 1.00 0.00 H new ATOM 0 HD12 LEU A 85 6.561 10.145 -3.699 1.00 0.00 H new ATOM 0 HD13 LEU A 85 6.619 8.423 -3.253 1.00 0.00 H new ATOM 0 HD21 LEU A 85 9.014 8.697 -1.337 1.00 0.00 H new ATOM 0 HD22 LEU A 85 8.864 7.410 -2.557 1.00 0.00 H new ATOM 0 HD23 LEU A 85 10.304 8.455 -2.538 1.00 0.00 H new ATOM 1166 N THR A 86 7.511 8.797 -7.742 1.00 0.00 N ATOM 1167 CA THR A 86 6.515 8.156 -8.590 1.00 0.00 C ATOM 1168 C THR A 86 6.316 6.706 -8.167 1.00 0.00 C ATOM 1169 O THR A 86 7.244 5.900 -8.227 1.00 0.00 O ATOM 1170 CB THR A 86 6.940 8.218 -10.058 1.00 0.00 C ATOM 1171 OG1 THR A 86 7.295 9.541 -10.421 1.00 0.00 O ATOM 1172 CG2 THR A 86 5.862 7.756 -11.013 1.00 0.00 C ATOM 0 H THR A 86 8.468 8.727 -8.089 1.00 0.00 H new ATOM 0 HA THR A 86 5.572 8.691 -8.477 1.00 0.00 H new ATOM 0 HB THR A 86 7.791 7.542 -10.141 1.00 0.00 H new ATOM 0 HG1 THR A 86 6.729 10.177 -9.935 1.00 0.00 H new ATOM 0 HG21 THR A 86 6.229 7.825 -12.037 1.00 0.00 H new ATOM 0 HG22 THR A 86 5.598 6.722 -10.791 1.00 0.00 H new ATOM 0 HG23 THR A 86 4.981 8.387 -10.900 1.00 0.00 H new ATOM 1180 N ILE A 87 5.107 6.383 -7.724 1.00 0.00 N ATOM 1181 CA ILE A 87 4.797 5.031 -7.277 1.00 0.00 C ATOM 1182 C ILE A 87 3.805 4.340 -8.205 1.00 0.00 C ATOM 1183 O ILE A 87 2.734 4.872 -8.494 1.00 0.00 O ATOM 1184 CB ILE A 87 4.224 5.035 -5.845 1.00 0.00 C ATOM 1185 CG1 ILE A 87 3.039 5.999 -5.750 1.00 0.00 C ATOM 1186 CG2 ILE A 87 5.305 5.415 -4.844 1.00 0.00 C ATOM 1187 CD1 ILE A 87 2.471 6.128 -4.354 1.00 0.00 C ATOM 0 H ILE A 87 4.327 7.037 -7.665 1.00 0.00 H new ATOM 0 HA ILE A 87 5.736 4.478 -7.292 1.00 0.00 H new ATOM 0 HB ILE A 87 3.872 4.031 -5.606 1.00 0.00 H new ATOM 0 HG12 ILE A 87 3.354 6.983 -6.097 1.00 0.00 H new ATOM 0 HG13 ILE A 87 2.252 5.660 -6.423 1.00 0.00 H new ATOM 0 HG21 ILE A 87 4.886 5.414 -3.838 1.00 0.00 H new ATOM 0 HG22 ILE A 87 6.121 4.694 -4.898 1.00 0.00 H new ATOM 0 HG23 ILE A 87 5.684 6.410 -5.078 1.00 0.00 H new ATOM 0 HD11 ILE A 87 1.635 6.827 -4.365 1.00 0.00 H new ATOM 0 HD12 ILE A 87 2.124 5.153 -4.011 1.00 0.00 H new ATOM 0 HD13 ILE A 87 3.244 6.497 -3.679 1.00 0.00 H new ATOM 1199 N SER A 88 4.169 3.145 -8.661 1.00 0.00 N ATOM 1200 CA SER A 88 3.310 2.369 -9.547 1.00 0.00 C ATOM 1201 C SER A 88 2.470 1.387 -8.740 1.00 0.00 C ATOM 1202 O SER A 88 3.002 0.490 -8.087 1.00 0.00 O ATOM 1203 CB SER A 88 4.151 1.614 -10.579 1.00 0.00 C ATOM 1204 OG SER A 88 3.401 1.349 -11.751 1.00 0.00 O ATOM 0 H SER A 88 5.054 2.693 -8.431 1.00 0.00 H new ATOM 0 HA SER A 88 2.645 3.055 -10.072 1.00 0.00 H new ATOM 0 HB2 SER A 88 5.034 2.201 -10.833 1.00 0.00 H new ATOM 0 HB3 SER A 88 4.504 0.676 -10.150 1.00 0.00 H new ATOM 0 HG SER A 88 3.961 0.867 -12.395 1.00 0.00 H new ATOM 1210 N ILE A 89 1.155 1.567 -8.782 1.00 0.00 N ATOM 1211 CA ILE A 89 0.243 0.702 -8.044 1.00 0.00 C ATOM 1212 C ILE A 89 -0.784 0.064 -8.972 1.00 0.00 C ATOM 1213 O ILE A 89 -1.268 0.697 -9.907 1.00 0.00 O ATOM 1214 CB ILE A 89 -0.487 1.488 -6.933 1.00 0.00 C ATOM 1215 CG1 ILE A 89 -1.526 0.602 -6.230 1.00 0.00 C ATOM 1216 CG2 ILE A 89 -1.132 2.743 -7.506 1.00 0.00 C ATOM 1217 CD1 ILE A 89 -2.928 0.715 -6.799 1.00 0.00 C ATOM 0 H ILE A 89 0.697 2.303 -9.319 1.00 0.00 H new ATOM 0 HA ILE A 89 0.843 -0.086 -7.588 1.00 0.00 H new ATOM 0 HB ILE A 89 0.247 1.794 -6.187 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -1.203 -0.437 -6.293 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -1.553 0.863 -5.172 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -1.642 3.286 -6.710 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -0.363 3.380 -7.944 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -1.853 2.463 -8.274 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -3.599 0.058 -6.246 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -3.275 1.745 -6.711 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -2.919 0.424 -7.849 1.00 0.00 H new ATOM 1229 N VAL A 90 -1.121 -1.191 -8.695 1.00 0.00 N ATOM 1230 CA VAL A 90 -2.100 -1.913 -9.496 1.00 0.00 C ATOM 1231 C VAL A 90 -3.387 -2.125 -8.704 1.00 0.00 C ATOM 1232 O VAL A 90 -3.353 -2.546 -7.548 1.00 0.00 O ATOM 1233 CB VAL A 90 -1.557 -3.277 -9.961 1.00 0.00 C ATOM 1234 CG1 VAL A 90 -2.547 -3.961 -10.891 1.00 0.00 C ATOM 1235 CG2 VAL A 90 -0.207 -3.108 -10.642 1.00 0.00 C ATOM 0 H VAL A 90 -0.730 -1.729 -7.921 1.00 0.00 H new ATOM 0 HA VAL A 90 -2.308 -1.306 -10.377 1.00 0.00 H new ATOM 0 HB VAL A 90 -1.422 -3.910 -9.084 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -2.144 -4.923 -11.208 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -3.490 -4.118 -10.367 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -2.718 -3.333 -11.766 1.00 0.00 H new ATOM 0 HG21 VAL A 90 0.162 -4.082 -10.964 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -0.316 -2.456 -11.509 1.00 0.00 H new ATOM 0 HG23 VAL A 90 0.501 -2.665 -9.941 1.00 0.00 H new ATOM 1245 N ALA A 91 -4.514 -1.816 -9.329 1.00 0.00 N ATOM 1246 CA ALA A 91 -5.812 -1.958 -8.682 1.00 0.00 C ATOM 1247 C ALA A 91 -6.183 -3.423 -8.477 1.00 0.00 C ATOM 1248 O ALA A 91 -6.008 -4.250 -9.373 1.00 0.00 O ATOM 1249 CB ALA A 91 -6.885 -1.252 -9.496 1.00 0.00 C ATOM 0 H ALA A 91 -4.556 -1.464 -10.286 1.00 0.00 H new ATOM 0 HA ALA A 91 -5.744 -1.494 -7.698 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -7.850 -1.365 -9.002 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -6.642 -0.193 -9.578 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -6.934 -1.691 -10.492 1.00 0.00 H new ATOM 1255 N ALA A 92 -6.708 -3.728 -7.290 1.00 0.00 N ATOM 1256 CA ALA A 92 -7.131 -5.087 -6.938 1.00 0.00 C ATOM 1257 C ALA A 92 -5.972 -5.945 -6.433 1.00 0.00 C ATOM 1258 O ALA A 92 -6.194 -6.980 -5.804 1.00 0.00 O ATOM 1259 CB ALA A 92 -7.817 -5.764 -8.115 1.00 0.00 C ATOM 0 H ALA A 92 -6.852 -3.044 -6.547 1.00 0.00 H new ATOM 0 HA ALA A 92 -7.845 -4.992 -6.120 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -8.121 -6.771 -7.829 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -8.696 -5.188 -8.405 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -7.126 -5.819 -8.956 1.00 0.00 H new ATOM 1265 N ALA A 93 -4.737 -5.522 -6.701 1.00 0.00 N ATOM 1266 CA ALA A 93 -3.567 -6.273 -6.257 1.00 0.00 C ATOM 1267 C ALA A 93 -3.606 -6.511 -4.746 1.00 0.00 C ATOM 1268 O ALA A 93 -2.955 -7.420 -4.233 1.00 0.00 O ATOM 1269 CB ALA A 93 -2.295 -5.534 -6.645 1.00 0.00 C ATOM 0 H ALA A 93 -4.523 -4.670 -7.219 1.00 0.00 H new ATOM 0 HA ALA A 93 -3.577 -7.245 -6.750 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -1.427 -6.102 -6.309 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -2.257 -5.419 -7.728 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -2.288 -4.550 -6.176 1.00 0.00 H new ATOM 1275 N GLY A 94 -4.375 -5.682 -4.042 1.00 0.00 N ATOM 1276 CA GLY A 94 -4.492 -5.804 -2.602 1.00 0.00 C ATOM 1277 C GLY A 94 -5.888 -6.204 -2.160 1.00 0.00 C ATOM 1278 O GLY A 94 -6.057 -6.853 -1.128 1.00 0.00 O ATOM 0 H GLY A 94 -4.922 -4.923 -4.449 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -3.776 -6.544 -2.245 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -4.227 -4.854 -2.138 1.00 0.00 H new ATOM 1282 N ARG A 95 -6.890 -5.796 -2.932 1.00 0.00 N ATOM 1283 CA ARG A 95 -8.282 -6.090 -2.609 1.00 0.00 C ATOM 1284 C ARG A 95 -8.510 -7.591 -2.451 1.00 0.00 C ATOM 1285 O ARG A 95 -9.318 -8.020 -1.628 1.00 0.00 O ATOM 1286 CB ARG A 95 -9.208 -5.518 -3.693 1.00 0.00 C ATOM 1287 CG ARG A 95 -9.445 -6.452 -4.872 1.00 0.00 C ATOM 1288 CD ARG A 95 -10.394 -5.833 -5.887 1.00 0.00 C ATOM 1289 NE ARG A 95 -11.394 -6.789 -6.358 1.00 0.00 N ATOM 1290 CZ ARG A 95 -12.119 -6.620 -7.462 1.00 0.00 C ATOM 1291 NH1 ARG A 95 -11.955 -5.538 -8.212 1.00 0.00 N ATOM 1292 NH2 ARG A 95 -13.011 -7.535 -7.815 1.00 0.00 N ATOM 0 H ARG A 95 -6.763 -5.258 -3.789 1.00 0.00 H new ATOM 0 HA ARG A 95 -8.516 -5.616 -1.656 1.00 0.00 H new ATOM 0 HB2 ARG A 95 -10.169 -5.272 -3.241 1.00 0.00 H new ATOM 0 HB3 ARG A 95 -8.782 -4.586 -4.063 1.00 0.00 H new ATOM 0 HG2 ARG A 95 -8.494 -6.682 -5.353 1.00 0.00 H new ATOM 0 HG3 ARG A 95 -9.857 -7.395 -4.514 1.00 0.00 H new ATOM 0 HD2 ARG A 95 -10.896 -4.976 -5.438 1.00 0.00 H new ATOM 0 HD3 ARG A 95 -9.822 -5.459 -6.736 1.00 0.00 H new ATOM 0 HE ARG A 95 -11.545 -7.635 -5.809 1.00 0.00 H new ATOM 0 HH11 ARG A 95 -11.271 -4.831 -7.944 1.00 0.00 H new ATOM 0 HH12 ARG A 95 -12.513 -5.414 -9.057 1.00 0.00 H new ATOM 0 HH21 ARG A 95 -13.142 -8.368 -7.241 1.00 0.00 H new ATOM 0 HH22 ARG A 95 -13.567 -7.406 -8.661 1.00 0.00 H new ATOM 1306 N GLU A 96 -7.794 -8.388 -3.239 1.00 0.00 N ATOM 1307 CA GLU A 96 -7.925 -9.839 -3.174 1.00 0.00 C ATOM 1308 C GLU A 96 -7.838 -10.330 -1.730 1.00 0.00 C ATOM 1309 O GLU A 96 -8.687 -11.095 -1.272 1.00 0.00 O ATOM 1310 CB GLU A 96 -6.837 -10.507 -4.019 1.00 0.00 C ATOM 1311 CG GLU A 96 -7.102 -11.977 -4.304 1.00 0.00 C ATOM 1312 CD GLU A 96 -7.248 -12.269 -5.784 1.00 0.00 C ATOM 1313 OE1 GLU A 96 -6.214 -12.315 -6.484 1.00 0.00 O ATOM 1314 OE2 GLU A 96 -8.395 -12.450 -6.243 1.00 0.00 O ATOM 0 H GLU A 96 -7.119 -8.054 -3.928 1.00 0.00 H new ATOM 0 HA GLU A 96 -8.903 -10.110 -3.572 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -6.745 -9.973 -4.965 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -5.880 -10.412 -3.505 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -6.285 -12.574 -3.899 1.00 0.00 H new ATOM 0 HG3 GLU A 96 -8.010 -12.285 -3.786 1.00 0.00 H new ATOM 1321 N LEU A 97 -6.808 -9.881 -1.018 1.00 0.00 N ATOM 1322 CA LEU A 97 -6.611 -10.267 0.376 1.00 0.00 C ATOM 1323 C LEU A 97 -7.647 -9.610 1.283 1.00 0.00 C ATOM 1324 O LEU A 97 -8.394 -10.290 1.985 1.00 0.00 O ATOM 1325 CB LEU A 97 -5.204 -9.886 0.839 1.00 0.00 C ATOM 1326 CG LEU A 97 -4.084 -10.195 -0.155 1.00 0.00 C ATOM 1327 CD1 LEU A 97 -2.730 -9.858 0.451 1.00 0.00 C ATOM 1328 CD2 LEU A 97 -4.133 -11.655 -0.576 1.00 0.00 C ATOM 0 H LEU A 97 -6.096 -9.249 -1.384 1.00 0.00 H new ATOM 0 HA LEU A 97 -6.732 -11.348 0.442 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -5.188 -8.819 1.059 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -4.993 -10.407 1.773 1.00 0.00 H new ATOM 0 HG LEU A 97 -4.228 -9.578 -1.042 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -1.943 -10.083 -0.269 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -2.698 -8.798 0.704 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -2.577 -10.451 1.353 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -3.329 -11.857 -1.283 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -4.013 -12.291 0.301 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -5.093 -11.866 -1.048 1.00 0.00 H new ATOM 1340 N PHE A 98 -7.678 -8.279 1.266 1.00 0.00 N ATOM 1341 CA PHE A 98 -8.613 -7.513 2.091 1.00 0.00 C ATOM 1342 C PHE A 98 -10.025 -8.087 2.012 1.00 0.00 C ATOM 1343 O PHE A 98 -10.732 -8.161 3.017 1.00 0.00 O ATOM 1344 CB PHE A 98 -8.623 -6.046 1.655 1.00 0.00 C ATOM 1345 CG PHE A 98 -7.639 -5.190 2.402 1.00 0.00 C ATOM 1346 CD1 PHE A 98 -7.857 -4.858 3.728 1.00 0.00 C ATOM 1347 CD2 PHE A 98 -6.497 -4.718 1.775 1.00 0.00 C ATOM 1348 CE1 PHE A 98 -6.953 -4.070 4.417 1.00 0.00 C ATOM 1349 CE2 PHE A 98 -5.591 -3.930 2.457 1.00 0.00 C ATOM 1350 CZ PHE A 98 -5.820 -3.605 3.780 1.00 0.00 C ATOM 0 H PHE A 98 -7.064 -7.706 0.688 1.00 0.00 H new ATOM 0 HA PHE A 98 -8.277 -7.581 3.126 1.00 0.00 H new ATOM 0 HB2 PHE A 98 -8.404 -5.991 0.589 1.00 0.00 H new ATOM 0 HB3 PHE A 98 -9.625 -5.641 1.796 1.00 0.00 H new ATOM 0 HD1 PHE A 98 -8.743 -5.218 4.230 1.00 0.00 H new ATOM 0 HD2 PHE A 98 -6.313 -4.969 0.741 1.00 0.00 H new ATOM 0 HE1 PHE A 98 -7.133 -3.819 5.452 1.00 0.00 H new ATOM 0 HE2 PHE A 98 -4.705 -3.568 1.957 1.00 0.00 H new ATOM 0 HZ PHE A 98 -5.114 -2.988 4.315 1.00 0.00 H new ATOM 1360 N MET A 99 -10.430 -8.490 0.814 1.00 0.00 N ATOM 1361 CA MET A 99 -11.757 -9.056 0.607 1.00 0.00 C ATOM 1362 C MET A 99 -11.841 -10.466 1.185 1.00 0.00 C ATOM 1363 O MET A 99 -12.021 -11.440 0.453 1.00 0.00 O ATOM 1364 CB MET A 99 -12.099 -9.079 -0.884 1.00 0.00 C ATOM 1365 CG MET A 99 -12.318 -7.698 -1.479 1.00 0.00 C ATOM 1366 SD MET A 99 -13.647 -6.792 -0.664 1.00 0.00 S ATOM 1367 CE MET A 99 -12.711 -5.699 0.402 1.00 0.00 C ATOM 0 H MET A 99 -9.858 -8.435 -0.029 1.00 0.00 H new ATOM 0 HA MET A 99 -12.480 -8.426 1.126 1.00 0.00 H new ATOM 0 HB2 MET A 99 -11.294 -9.575 -1.425 1.00 0.00 H new ATOM 0 HB3 MET A 99 -12.998 -9.676 -1.033 1.00 0.00 H new ATOM 0 HG2 MET A 99 -11.394 -7.124 -1.405 1.00 0.00 H new ATOM 0 HG3 MET A 99 -12.548 -7.796 -2.540 1.00 0.00 H new ATOM 0 HE1 MET A 99 -13.276 -5.509 1.314 1.00 0.00 H new ATOM 0 HE2 MET A 99 -11.759 -6.165 0.656 1.00 0.00 H new ATOM 0 HE3 MET A 99 -12.527 -4.757 -0.114 1.00 0.00 H new ATOM 1377 N THR A 100 -11.711 -10.567 2.504 1.00 0.00 N ATOM 1378 CA THR A 100 -11.770 -11.858 3.181 1.00 0.00 C ATOM 1379 C THR A 100 -13.185 -12.155 3.662 1.00 0.00 C ATOM 1380 O THR A 100 -14.031 -11.263 3.727 1.00 0.00 O ATOM 1381 CB THR A 100 -10.801 -11.882 4.363 1.00 0.00 C ATOM 1382 OG1 THR A 100 -10.991 -13.050 5.142 1.00 0.00 O ATOM 1383 CG2 THR A 100 -10.946 -10.688 5.281 1.00 0.00 C ATOM 0 H THR A 100 -11.564 -9.771 3.125 1.00 0.00 H new ATOM 0 HA THR A 100 -11.479 -12.629 2.467 1.00 0.00 H new ATOM 0 HB THR A 100 -9.805 -11.859 3.921 1.00 0.00 H new ATOM 0 HG1 THR A 100 -10.361 -13.049 5.893 1.00 0.00 H new ATOM 0 HG21 THR A 100 -10.229 -10.768 6.098 1.00 0.00 H new ATOM 0 HG22 THR A 100 -10.756 -9.773 4.720 1.00 0.00 H new ATOM 0 HG23 THR A 100 -11.957 -10.662 5.687 1.00 0.00 H new TER 1391 THR A 100 ATOM 1392 N THR B 111 -2.292 -14.284 11.701 1.00 0.00 N ATOM 1393 CA THR B 111 -1.631 -13.344 12.596 1.00 0.00 C ATOM 1394 C THR B 111 -1.815 -11.908 12.113 1.00 0.00 C ATOM 1395 O THR B 111 -1.984 -11.663 10.919 1.00 0.00 O ATOM 1396 CB THR B 111 -0.139 -13.669 12.702 1.00 0.00 C ATOM 1397 OG1 THR B 111 0.366 -14.125 11.459 1.00 0.00 O ATOM 1398 CG2 THR B 111 0.171 -14.725 13.742 1.00 0.00 C ATOM 0 HA THR B 111 -2.089 -13.439 13.581 1.00 0.00 H new ATOM 0 HB THR B 111 0.339 -12.737 13.002 1.00 0.00 H new ATOM 0 HG1 THR B 111 -0.366 -14.501 10.927 1.00 0.00 H new ATOM 0 HG21 THR B 111 1.245 -14.908 13.766 1.00 0.00 H new ATOM 0 HG22 THR B 111 -0.160 -14.379 14.721 1.00 0.00 H new ATOM 0 HG23 THR B 111 -0.349 -15.649 13.489 1.00 0.00 H new ATOM 1406 N PRO B 112 -1.787 -10.935 13.040 1.00 0.00 N ATOM 1407 CA PRO B 112 -1.952 -9.516 12.703 1.00 0.00 C ATOM 1408 C PRO B 112 -1.000 -9.069 11.600 1.00 0.00 C ATOM 1409 O PRO B 112 0.009 -9.722 11.334 1.00 0.00 O ATOM 1410 CB PRO B 112 -1.627 -8.798 14.014 1.00 0.00 C ATOM 1411 CG PRO B 112 -1.923 -9.797 15.079 1.00 0.00 C ATOM 1412 CD PRO B 112 -1.590 -11.140 14.488 1.00 0.00 C ATOM 0 HA PRO B 112 -2.950 -9.301 12.321 1.00 0.00 H new ATOM 0 HB2 PRO B 112 -0.584 -8.484 14.045 1.00 0.00 H new ATOM 0 HB3 PRO B 112 -2.233 -7.900 14.134 1.00 0.00 H new ATOM 0 HG2 PRO B 112 -1.328 -9.604 15.972 1.00 0.00 H new ATOM 0 HG3 PRO B 112 -2.970 -9.751 15.378 1.00 0.00 H new ATOM 0 HD2 PRO B 112 -0.566 -11.437 14.716 1.00 0.00 H new ATOM 0 HD3 PRO B 112 -2.243 -11.922 14.875 1.00 0.00 H new ATOM 1420 N LEU B 113 -1.325 -7.950 10.962 1.00 0.00 N ATOM 1421 CA LEU B 113 -0.498 -7.414 9.887 1.00 0.00 C ATOM 1422 C LEU B 113 -0.031 -5.999 10.214 1.00 0.00 C ATOM 1423 O LEU B 113 -0.835 -5.133 10.558 1.00 0.00 O ATOM 1424 CB LEU B 113 -1.273 -7.416 8.567 1.00 0.00 C ATOM 1425 CG LEU B 113 -1.959 -8.739 8.223 1.00 0.00 C ATOM 1426 CD1 LEU B 113 -2.958 -8.544 7.093 1.00 0.00 C ATOM 1427 CD2 LEU B 113 -0.926 -9.792 7.849 1.00 0.00 C ATOM 0 H LEU B 113 -2.156 -7.396 11.171 1.00 0.00 H new ATOM 0 HA LEU B 113 0.379 -8.053 9.785 1.00 0.00 H new ATOM 0 HB2 LEU B 113 -2.029 -6.631 8.605 1.00 0.00 H new ATOM 0 HB3 LEU B 113 -0.587 -7.159 7.760 1.00 0.00 H new ATOM 0 HG LEU B 113 -2.501 -9.086 9.103 1.00 0.00 H new ATOM 0 HD11 LEU B 113 -3.436 -9.496 6.862 1.00 0.00 H new ATOM 0 HD12 LEU B 113 -3.715 -7.822 7.398 1.00 0.00 H new ATOM 0 HD13 LEU B 113 -2.439 -8.174 6.208 1.00 0.00 H new ATOM 0 HD21 LEU B 113 -1.431 -10.727 7.607 1.00 0.00 H new ATOM 0 HD22 LEU B 113 -0.357 -9.452 6.983 1.00 0.00 H new ATOM 0 HD23 LEU B 113 -0.249 -9.952 8.688 1.00 0.00 H new ATOM 1439 N GLU B 114 1.275 -5.772 10.105 1.00 0.00 N ATOM 1440 CA GLU B 114 1.851 -4.465 10.392 1.00 0.00 C ATOM 1441 C GLU B 114 1.313 -3.410 9.431 1.00 0.00 C ATOM 1442 O GLU B 114 1.058 -3.693 8.260 1.00 0.00 O ATOM 1443 CB GLU B 114 3.377 -4.525 10.296 1.00 0.00 C ATOM 1444 CG GLU B 114 4.020 -5.393 11.366 1.00 0.00 C ATOM 1445 CD GLU B 114 5.284 -4.778 11.935 1.00 0.00 C ATOM 1446 OE1 GLU B 114 5.229 -3.614 12.385 1.00 0.00 O ATOM 1447 OE2 GLU B 114 6.331 -5.460 11.928 1.00 0.00 O ATOM 0 H GLU B 114 1.954 -6.478 9.820 1.00 0.00 H new ATOM 0 HA GLU B 114 1.567 -4.186 11.407 1.00 0.00 H new ATOM 0 HB2 GLU B 114 3.656 -4.907 9.314 1.00 0.00 H new ATOM 0 HB3 GLU B 114 3.778 -3.514 10.371 1.00 0.00 H new ATOM 0 HG2 GLU B 114 3.306 -5.558 12.173 1.00 0.00 H new ATOM 0 HG3 GLU B 114 4.254 -6.370 10.943 1.00 0.00 H new ATOM 1454 N ILE B 115 1.142 -2.191 9.933 1.00 0.00 N ATOM 1455 CA ILE B 115 0.634 -1.093 9.119 1.00 0.00 C ATOM 1456 C ILE B 115 1.338 0.216 9.461 1.00 0.00 C ATOM 1457 O ILE B 115 1.583 0.514 10.630 1.00 0.00 O ATOM 1458 CB ILE B 115 -0.885 -0.909 9.305 1.00 0.00 C ATOM 1459 CG1 ILE B 115 -1.604 -2.253 9.178 1.00 0.00 C ATOM 1460 CG2 ILE B 115 -1.426 0.085 8.289 1.00 0.00 C ATOM 1461 CD1 ILE B 115 -3.070 -2.190 9.545 1.00 0.00 C ATOM 0 H ILE B 115 1.348 -1.939 10.900 1.00 0.00 H new ATOM 0 HA ILE B 115 0.836 -1.352 8.080 1.00 0.00 H new ATOM 0 HB ILE B 115 -1.068 -0.514 10.304 1.00 0.00 H new ATOM 0 HG12 ILE B 115 -1.509 -2.611 8.153 1.00 0.00 H new ATOM 0 HG13 ILE B 115 -1.108 -2.983 9.818 1.00 0.00 H new ATOM 0 HG21 ILE B 115 -2.500 0.204 8.433 1.00 0.00 H new ATOM 0 HG22 ILE B 115 -0.933 1.048 8.423 1.00 0.00 H new ATOM 0 HG23 ILE B 115 -1.234 -0.284 7.281 1.00 0.00 H new ATOM 0 HD11 ILE B 115 -3.516 -3.178 9.432 1.00 0.00 H new ATOM 0 HD12 ILE B 115 -3.172 -1.862 10.579 1.00 0.00 H new ATOM 0 HD13 ILE B 115 -3.579 -1.484 8.889 1.00 0.00 H new ATOM 1473 N THR B 116 1.657 0.996 8.433 1.00 0.00 N ATOM 1474 CA THR B 116 2.332 2.275 8.625 1.00 0.00 C ATOM 1475 C THR B 116 1.537 3.409 7.984 1.00 0.00 C ATOM 1476 O THR B 116 0.878 3.219 6.963 1.00 0.00 O ATOM 1477 CB THR B 116 3.741 2.226 8.031 1.00 0.00 C ATOM 1478 OG1 THR B 116 4.488 1.166 8.600 1.00 0.00 O ATOM 1479 CG2 THR B 116 4.524 3.504 8.241 1.00 0.00 C ATOM 0 H THR B 116 1.459 0.765 7.459 1.00 0.00 H new ATOM 0 HA THR B 116 2.403 2.464 9.696 1.00 0.00 H new ATOM 0 HB THR B 116 3.598 2.079 6.960 1.00 0.00 H new ATOM 0 HG1 THR B 116 4.492 0.402 7.986 1.00 0.00 H new ATOM 0 HG21 THR B 116 5.514 3.402 7.796 1.00 0.00 H new ATOM 0 HG22 THR B 116 3.998 4.334 7.770 1.00 0.00 H new ATOM 0 HG23 THR B 116 4.625 3.698 9.309 1.00 0.00 H new ATOM 1487 N GLU B 117 1.607 4.590 8.591 1.00 0.00 N ATOM 1488 CA GLU B 117 0.894 5.755 8.080 1.00 0.00 C ATOM 1489 C GLU B 117 1.824 6.652 7.270 1.00 0.00 C ATOM 1490 O GLU B 117 2.968 6.887 7.659 1.00 0.00 O ATOM 1491 CB GLU B 117 0.277 6.549 9.234 1.00 0.00 C ATOM 1492 CG GLU B 117 -1.154 6.145 9.555 1.00 0.00 C ATOM 1493 CD GLU B 117 -1.616 6.665 10.901 1.00 0.00 C ATOM 1494 OE1 GLU B 117 -1.331 6.004 11.922 1.00 0.00 O ATOM 1495 OE2 GLU B 117 -2.262 7.733 10.936 1.00 0.00 O ATOM 0 H GLU B 117 2.150 4.765 9.437 1.00 0.00 H new ATOM 0 HA GLU B 117 0.098 5.402 7.424 1.00 0.00 H new ATOM 0 HB2 GLU B 117 0.891 6.416 10.124 1.00 0.00 H new ATOM 0 HB3 GLU B 117 0.299 7.610 8.986 1.00 0.00 H new ATOM 0 HG2 GLU B 117 -1.818 6.521 8.777 1.00 0.00 H new ATOM 0 HG3 GLU B 117 -1.233 5.058 9.543 1.00 0.00 H new ATOM 1502 N LEU B 118 1.323 7.152 6.144 1.00 0.00 N ATOM 1503 CA LEU B 118 2.109 8.025 5.280 1.00 0.00 C ATOM 1504 C LEU B 118 1.337 9.298 4.947 1.00 0.00 C ATOM 1505 O LEU B 118 1.945 10.224 4.372 1.00 0.00 O ATOM 1506 CB LEU B 118 2.491 7.292 3.992 1.00 0.00 C ATOM 1507 CG LEU B 118 3.276 5.996 4.194 1.00 0.00 C ATOM 1508 CD1 LEU B 118 2.823 4.934 3.204 1.00 0.00 C ATOM 1509 CD2 LEU B 118 4.771 6.252 4.055 1.00 0.00 C ATOM 1510 OXT LEU B 118 0.130 9.354 5.261 1.00 0.00 O ATOM 0 H LEU B 118 0.377 6.967 5.809 1.00 0.00 H new ATOM 0 HA LEU B 118 3.018 8.303 5.814 1.00 0.00 H new ATOM 0 HB2 LEU B 118 1.580 7.065 3.438 1.00 0.00 H new ATOM 0 HB3 LEU B 118 3.083 7.964 3.371 1.00 0.00 H new ATOM 0 HG LEU B 118 3.080 5.630 5.202 1.00 0.00 H new ATOM 0 HD11 LEU B 118 3.394 4.020 3.365 1.00 0.00 H new ATOM 0 HD12 LEU B 118 1.762 4.730 3.350 1.00 0.00 H new ATOM 0 HD13 LEU B 118 2.988 5.291 2.187 1.00 0.00 H new ATOM 0 HD21 LEU B 118 5.315 5.319 4.202 1.00 0.00 H new ATOM 0 HD22 LEU B 118 4.982 6.643 3.060 1.00 0.00 H new ATOM 0 HD23 LEU B 118 5.087 6.978 4.804 1.00 0.00 H new TER 1522 LEU B 118