USER MOD reduce.3.24.130724 H: found=0, std=0, add=644, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 646 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 41 THR OG1 : rot -140:sc= -0.156 USER MOD Set 1.2: A 75 CYS SG : rot -160:sc= -0.215 USER MOD Set 2.1: A 27 THR OG1 : rot 141:sc= 1.24 USER MOD Set 2.2: A 40 HIS : +bothHN:sc= 1.74 K(o=3,f=-10!) USER MOD Single : A 7 LYS NZ :NH3+ 159:sc= 0.519 (180deg=0.303) USER MOD Single : A 8 GLN : amide:sc= 0 K(o=0,f=-0.51) USER MOD Single : A 11 ASN : amide:sc= 0 X(o=0,f=-0.032) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 TYR OH : rot -99:sc= 1.16 USER MOD Single : A 20 ASN : amide:sc= 0 X(o=0,f=-0.11) USER MOD Single : A 21 ASN : amide:sc= 0.627 K(o=0.63,f=-0.072) USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 ASN : amide:sc= 0.0508 K(o=0.051,f=-1.6) USER MOD Single : A 34 ASN :FLIP amide:sc= -0.0473 F(o=-1.4!,f=-0.047) USER MOD Single : A 37 ASN : amide:sc= -0.147 X(o=-0.15,f=-0.065) USER MOD Single : A 44 SER OG : rot 79:sc= 0.0204 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ -127:sc= 0.189 (180deg=-0.413) USER MOD Single : A 63 HIS : no HE2:sc= 1.13 K(o=1.1,f=-4.9!) USER MOD Single : A 67 ASN : amide:sc= 1.04 K(o=1,f=-0.00055) USER MOD Single : A 68 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 70 LYS NZ :NH3+ 155:sc= -0.176 (180deg=-0.843) USER MOD Single : A 74 SER OG : rot 180:sc= -1.63! USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 79 LYS NZ :NH3+ -164:sc= -0.0283 (180deg=-0.268) USER MOD Single : A 80 HIS : no HE2:sc= 1.06 K(o=1.1,f=-5.7!) USER MOD Single : A 81 MET CE :methyl 170:sc= -3.48 (180deg=-4.07!) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 88 TYR OH : rot 180:sc= 0 USER MOD Single : A 89 GLN : amide:sc= -1.26 K(o=-1.3,f=-6.5!) USER MOD Single : A 92 TYR OH : rot 180:sc= -0.861 USER MOD ----------------------------------------------------------------- ATOM 64 N GLU A 5 17.107 -0.197 -5.563 1.00 0.00 N ATOM 65 CA GLU A 5 16.367 -1.252 -6.233 1.00 0.00 C ATOM 66 C GLU A 5 14.980 -1.385 -5.632 1.00 0.00 C ATOM 67 O GLU A 5 14.764 -1.043 -4.467 1.00 0.00 O ATOM 68 CB GLU A 5 17.108 -2.586 -6.106 1.00 0.00 C ATOM 69 CG GLU A 5 18.262 -2.742 -7.079 1.00 0.00 C ATOM 70 CD GLU A 5 17.786 -2.953 -8.499 1.00 0.00 C ATOM 71 OE1 GLU A 5 17.560 -4.117 -8.890 1.00 0.00 O ATOM 72 OE2 GLU A 5 17.621 -1.960 -9.232 1.00 0.00 O ATOM 0 HA GLU A 5 16.278 -0.991 -7.288 1.00 0.00 H new ATOM 0 HB2 GLU A 5 17.487 -2.685 -5.089 1.00 0.00 H new ATOM 0 HB3 GLU A 5 16.400 -3.400 -6.263 1.00 0.00 H new ATOM 0 HG2 GLU A 5 18.893 -1.854 -7.037 1.00 0.00 H new ATOM 0 HG3 GLU A 5 18.880 -3.587 -6.775 1.00 0.00 H new ATOM 79 N ILE A 6 14.044 -1.873 -6.428 1.00 0.00 N ATOM 80 CA ILE A 6 12.707 -2.151 -5.939 1.00 0.00 C ATOM 81 C ILE A 6 12.731 -3.434 -5.119 1.00 0.00 C ATOM 82 O ILE A 6 12.700 -4.536 -5.669 1.00 0.00 O ATOM 83 CB ILE A 6 11.687 -2.292 -7.090 1.00 0.00 C ATOM 84 CG1 ILE A 6 11.696 -1.035 -7.965 1.00 0.00 C ATOM 85 CG2 ILE A 6 10.291 -2.546 -6.533 1.00 0.00 C ATOM 86 CD1 ILE A 6 10.789 -1.125 -9.172 1.00 0.00 C ATOM 0 H ILE A 6 14.186 -2.084 -7.416 1.00 0.00 H new ATOM 0 HA ILE A 6 12.393 -1.309 -5.322 1.00 0.00 H new ATOM 0 HB ILE A 6 11.972 -3.144 -7.707 1.00 0.00 H new ATOM 0 HG12 ILE A 6 11.396 -0.180 -7.359 1.00 0.00 H new ATOM 0 HG13 ILE A 6 12.715 -0.845 -8.301 1.00 0.00 H new ATOM 0 HG21 ILE A 6 9.583 -2.643 -7.356 1.00 0.00 H new ATOM 0 HG22 ILE A 6 10.295 -3.465 -5.947 1.00 0.00 H new ATOM 0 HG23 ILE A 6 9.996 -1.712 -5.897 1.00 0.00 H new ATOM 0 HD11 ILE A 6 10.849 -0.198 -9.742 1.00 0.00 H new ATOM 0 HD12 ILE A 6 11.102 -1.959 -9.801 1.00 0.00 H new ATOM 0 HD13 ILE A 6 9.762 -1.283 -8.844 1.00 0.00 H new ATOM 98 N LYS A 7 12.838 -3.287 -3.809 1.00 0.00 N ATOM 99 CA LYS A 7 12.885 -4.434 -2.920 1.00 0.00 C ATOM 100 C LYS A 7 11.481 -4.974 -2.696 1.00 0.00 C ATOM 101 O LYS A 7 10.557 -4.228 -2.357 1.00 0.00 O ATOM 102 CB LYS A 7 13.559 -4.060 -1.598 1.00 0.00 C ATOM 103 CG LYS A 7 15.011 -3.650 -1.780 1.00 0.00 C ATOM 104 CD LYS A 7 15.675 -3.276 -0.466 1.00 0.00 C ATOM 105 CE LYS A 7 17.137 -2.924 -0.683 1.00 0.00 C ATOM 106 NZ LYS A 7 17.832 -2.571 0.584 1.00 0.00 N ATOM 0 H LYS A 7 12.894 -2.384 -3.338 1.00 0.00 H new ATOM 0 HA LYS A 7 13.482 -5.221 -3.382 1.00 0.00 H new ATOM 0 HB2 LYS A 7 13.009 -3.242 -1.133 1.00 0.00 H new ATOM 0 HB3 LYS A 7 13.507 -4.908 -0.915 1.00 0.00 H new ATOM 0 HG2 LYS A 7 15.562 -4.469 -2.242 1.00 0.00 H new ATOM 0 HG3 LYS A 7 15.064 -2.804 -2.465 1.00 0.00 H new ATOM 0 HD2 LYS A 7 15.155 -2.429 -0.018 1.00 0.00 H new ATOM 0 HD3 LYS A 7 15.596 -4.106 0.236 1.00 0.00 H new ATOM 0 HE2 LYS A 7 17.645 -3.768 -1.149 1.00 0.00 H new ATOM 0 HE3 LYS A 7 17.207 -2.087 -1.377 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 18.858 -2.686 0.461 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 17.622 -1.583 0.832 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 17.503 -3.197 1.347 1.00 0.00 H new ATOM 120 N GLN A 8 11.329 -6.270 -2.898 1.00 0.00 N ATOM 121 CA GLN A 8 10.021 -6.895 -2.895 1.00 0.00 C ATOM 122 C GLN A 8 9.697 -7.517 -1.542 1.00 0.00 C ATOM 123 O GLN A 8 10.430 -8.374 -1.043 1.00 0.00 O ATOM 124 CB GLN A 8 9.950 -7.954 -3.997 1.00 0.00 C ATOM 125 CG GLN A 8 8.664 -8.761 -3.992 1.00 0.00 C ATOM 126 CD GLN A 8 8.567 -9.707 -5.171 1.00 0.00 C ATOM 127 OE1 GLN A 8 9.578 -10.167 -5.702 1.00 0.00 O ATOM 128 NE2 GLN A 8 7.347 -10.013 -5.582 1.00 0.00 N ATOM 0 H GLN A 8 12.102 -6.914 -3.067 1.00 0.00 H new ATOM 0 HA GLN A 8 9.277 -6.121 -3.086 1.00 0.00 H new ATOM 0 HB2 GLN A 8 10.057 -7.465 -4.965 1.00 0.00 H new ATOM 0 HB3 GLN A 8 10.795 -8.634 -3.889 1.00 0.00 H new ATOM 0 HG2 GLN A 8 8.601 -9.332 -3.066 1.00 0.00 H new ATOM 0 HG3 GLN A 8 7.812 -8.081 -4.005 1.00 0.00 H new ATOM 0 HE21 GLN A 8 6.535 -9.610 -5.114 1.00 0.00 H new ATOM 0 HE22 GLN A 8 7.218 -10.652 -6.366 1.00 0.00 H new ATOM 137 N GLY A 9 8.600 -7.067 -0.959 1.00 0.00 N ATOM 138 CA GLY A 9 8.080 -7.677 0.242 1.00 0.00 C ATOM 139 C GLY A 9 6.699 -8.234 -0.007 1.00 0.00 C ATOM 140 O GLY A 9 6.183 -8.129 -1.123 1.00 0.00 O ATOM 0 H GLY A 9 8.053 -6.278 -1.303 1.00 0.00 H new ATOM 0 HA2 GLY A 9 8.747 -8.474 0.571 1.00 0.00 H new ATOM 0 HA3 GLY A 9 8.043 -6.941 1.045 1.00 0.00 H new ATOM 144 N GLU A 10 6.085 -8.810 1.010 1.00 0.00 N ATOM 145 CA GLU A 10 4.762 -9.379 0.844 1.00 0.00 C ATOM 146 C GLU A 10 3.719 -8.279 0.743 1.00 0.00 C ATOM 147 O GLU A 10 3.516 -7.519 1.691 1.00 0.00 O ATOM 148 CB GLU A 10 4.423 -10.332 1.989 1.00 0.00 C ATOM 149 CG GLU A 10 5.192 -11.638 1.930 1.00 0.00 C ATOM 150 CD GLU A 10 5.075 -12.312 0.578 1.00 0.00 C ATOM 151 OE1 GLU A 10 3.940 -12.464 0.078 1.00 0.00 O ATOM 152 OE2 GLU A 10 6.117 -12.697 0.009 1.00 0.00 O ATOM 0 H GLU A 10 6.476 -8.896 1.948 1.00 0.00 H new ATOM 0 HA GLU A 10 4.757 -9.952 -0.083 1.00 0.00 H new ATOM 0 HB2 GLU A 10 4.632 -9.838 2.938 1.00 0.00 H new ATOM 0 HB3 GLU A 10 3.354 -10.546 1.970 1.00 0.00 H new ATOM 0 HG2 GLU A 10 6.243 -11.449 2.150 1.00 0.00 H new ATOM 0 HG3 GLU A 10 4.821 -12.311 2.703 1.00 0.00 H new ATOM 159 N ASN A 11 3.079 -8.201 -0.423 1.00 0.00 N ATOM 160 CA ASN A 11 2.033 -7.212 -0.692 1.00 0.00 C ATOM 161 C ASN A 11 2.587 -5.788 -0.684 1.00 0.00 C ATOM 162 O ASN A 11 1.827 -4.827 -0.552 1.00 0.00 O ATOM 163 CB ASN A 11 0.888 -7.325 0.330 1.00 0.00 C ATOM 164 CG ASN A 11 0.198 -8.676 0.306 1.00 0.00 C ATOM 165 OD1 ASN A 11 -0.752 -8.889 -0.443 1.00 0.00 O ATOM 166 ND2 ASN A 11 0.664 -9.590 1.141 1.00 0.00 N ATOM 0 H ASN A 11 3.270 -8.822 -1.209 1.00 0.00 H new ATOM 0 HA ASN A 11 1.645 -7.426 -1.688 1.00 0.00 H new ATOM 0 HB2 ASN A 11 1.282 -7.143 1.330 1.00 0.00 H new ATOM 0 HB3 ASN A 11 0.153 -6.545 0.131 1.00 0.00 H new ATOM 0 HD21 ASN A 11 0.232 -10.513 1.180 1.00 0.00 H new ATOM 0 HD22 ASN A 11 1.455 -9.372 1.746 1.00 0.00 H new ATOM 173 N LYS A 12 3.901 -5.645 -0.838 1.00 0.00 N ATOM 174 CA LYS A 12 4.514 -4.322 -0.820 1.00 0.00 C ATOM 175 C LYS A 12 5.814 -4.278 -1.616 1.00 0.00 C ATOM 176 O LYS A 12 6.583 -5.239 -1.640 1.00 0.00 O ATOM 177 CB LYS A 12 4.783 -3.867 0.619 1.00 0.00 C ATOM 178 CG LYS A 12 5.746 -4.762 1.385 1.00 0.00 C ATOM 179 CD LYS A 12 6.168 -4.123 2.697 1.00 0.00 C ATOM 180 CE LYS A 12 7.037 -5.057 3.520 1.00 0.00 C ATOM 181 NZ LYS A 12 7.576 -4.390 4.734 1.00 0.00 N ATOM 0 H LYS A 12 4.553 -6.418 -0.975 1.00 0.00 H new ATOM 0 HA LYS A 12 3.804 -3.643 -1.292 1.00 0.00 H new ATOM 0 HB2 LYS A 12 5.184 -2.854 0.599 1.00 0.00 H new ATOM 0 HB3 LYS A 12 3.837 -3.825 1.158 1.00 0.00 H new ATOM 0 HG2 LYS A 12 5.273 -5.724 1.582 1.00 0.00 H new ATOM 0 HG3 LYS A 12 6.627 -4.959 0.774 1.00 0.00 H new ATOM 0 HD2 LYS A 12 6.714 -3.201 2.494 1.00 0.00 H new ATOM 0 HD3 LYS A 12 5.282 -3.849 3.270 1.00 0.00 H new ATOM 0 HE2 LYS A 12 6.454 -5.930 3.814 1.00 0.00 H new ATOM 0 HE3 LYS A 12 7.863 -5.418 2.907 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 8.164 -5.062 5.267 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 8.154 -3.572 4.453 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 6.788 -4.068 5.332 1.00 0.00 H new ATOM 195 N PHE A 13 6.038 -3.156 -2.276 1.00 0.00 N ATOM 196 CA PHE A 13 7.315 -2.873 -2.909 1.00 0.00 C ATOM 197 C PHE A 13 7.906 -1.625 -2.276 1.00 0.00 C ATOM 198 O PHE A 13 7.232 -0.600 -2.183 1.00 0.00 O ATOM 199 CB PHE A 13 7.153 -2.663 -4.417 1.00 0.00 C ATOM 200 CG PHE A 13 6.696 -3.885 -5.161 1.00 0.00 C ATOM 201 CD1 PHE A 13 7.527 -4.986 -5.286 1.00 0.00 C ATOM 202 CD2 PHE A 13 5.437 -3.931 -5.737 1.00 0.00 C ATOM 203 CE1 PHE A 13 7.111 -6.111 -5.972 1.00 0.00 C ATOM 204 CE2 PHE A 13 5.017 -5.053 -6.426 1.00 0.00 C ATOM 205 CZ PHE A 13 5.855 -6.144 -6.543 1.00 0.00 C ATOM 0 H PHE A 13 5.343 -2.418 -2.389 1.00 0.00 H new ATOM 0 HA PHE A 13 7.979 -3.725 -2.761 1.00 0.00 H new ATOM 0 HB2 PHE A 13 6.437 -1.859 -4.586 1.00 0.00 H new ATOM 0 HB3 PHE A 13 8.106 -2.334 -4.831 1.00 0.00 H new ATOM 0 HD1 PHE A 13 8.511 -4.965 -4.842 1.00 0.00 H new ATOM 0 HD2 PHE A 13 4.777 -3.081 -5.647 1.00 0.00 H new ATOM 0 HE1 PHE A 13 7.768 -6.964 -6.061 1.00 0.00 H new ATOM 0 HE2 PHE A 13 4.034 -5.076 -6.873 1.00 0.00 H new ATOM 0 HZ PHE A 13 5.528 -7.022 -7.081 1.00 0.00 H new ATOM 215 N TYR A 14 9.145 -1.705 -1.824 1.00 0.00 N ATOM 216 CA TYR A 14 9.756 -0.579 -1.140 1.00 0.00 C ATOM 217 C TYR A 14 11.164 -0.321 -1.653 1.00 0.00 C ATOM 218 O TYR A 14 11.919 -1.249 -1.935 1.00 0.00 O ATOM 219 CB TYR A 14 9.763 -0.803 0.381 1.00 0.00 C ATOM 220 CG TYR A 14 10.509 -2.040 0.845 1.00 0.00 C ATOM 221 CD1 TYR A 14 9.935 -3.304 0.747 1.00 0.00 C ATOM 222 CD2 TYR A 14 11.783 -1.941 1.394 1.00 0.00 C ATOM 223 CE1 TYR A 14 10.609 -4.430 1.180 1.00 0.00 C ATOM 224 CE2 TYR A 14 12.462 -3.063 1.832 1.00 0.00 C ATOM 225 CZ TYR A 14 11.871 -4.305 1.721 1.00 0.00 C ATOM 226 OH TYR A 14 12.544 -5.426 2.155 1.00 0.00 O ATOM 0 H TYR A 14 9.742 -2.527 -1.916 1.00 0.00 H new ATOM 0 HA TYR A 14 9.156 0.306 -1.353 1.00 0.00 H new ATOM 0 HB2 TYR A 14 10.206 0.070 0.859 1.00 0.00 H new ATOM 0 HB3 TYR A 14 8.732 -0.868 0.728 1.00 0.00 H new ATOM 0 HD1 TYR A 14 8.946 -3.407 0.325 1.00 0.00 H new ATOM 0 HD2 TYR A 14 12.250 -0.971 1.480 1.00 0.00 H new ATOM 0 HE1 TYR A 14 10.149 -5.404 1.095 1.00 0.00 H new ATOM 0 HE2 TYR A 14 13.450 -2.968 2.259 1.00 0.00 H new ATOM 0 HH TYR A 14 12.448 -5.510 3.127 1.00 0.00 H new ATOM 236 N ILE A 15 11.498 0.950 -1.793 1.00 0.00 N ATOM 237 CA ILE A 15 12.825 1.350 -2.225 1.00 0.00 C ATOM 238 C ILE A 15 13.535 2.098 -1.106 1.00 0.00 C ATOM 239 O ILE A 15 13.076 3.149 -0.653 1.00 0.00 O ATOM 240 CB ILE A 15 12.777 2.234 -3.491 1.00 0.00 C ATOM 241 CG1 ILE A 15 12.164 1.452 -4.656 1.00 0.00 C ATOM 242 CG2 ILE A 15 14.174 2.725 -3.857 1.00 0.00 C ATOM 243 CD1 ILE A 15 12.056 2.248 -5.939 1.00 0.00 C ATOM 0 H ILE A 15 10.863 1.727 -1.612 1.00 0.00 H new ATOM 0 HA ILE A 15 13.376 0.442 -2.471 1.00 0.00 H new ATOM 0 HB ILE A 15 12.153 3.103 -3.284 1.00 0.00 H new ATOM 0 HG12 ILE A 15 12.767 0.563 -4.841 1.00 0.00 H new ATOM 0 HG13 ILE A 15 11.170 1.109 -4.368 1.00 0.00 H new ATOM 0 HG21 ILE A 15 14.119 3.346 -4.751 1.00 0.00 H new ATOM 0 HG22 ILE A 15 14.581 3.311 -3.033 1.00 0.00 H new ATOM 0 HG23 ILE A 15 14.822 1.870 -4.049 1.00 0.00 H new ATOM 0 HD11 ILE A 15 11.613 1.626 -6.717 1.00 0.00 H new ATOM 0 HD12 ILE A 15 11.428 3.123 -5.772 1.00 0.00 H new ATOM 0 HD13 ILE A 15 13.049 2.569 -6.253 1.00 0.00 H new ATOM 255 N GLY A 16 14.638 1.535 -0.649 1.00 0.00 N ATOM 256 CA GLY A 16 15.411 2.145 0.406 1.00 0.00 C ATOM 257 C GLY A 16 16.615 1.304 0.747 1.00 0.00 C ATOM 258 O GLY A 16 16.677 0.129 0.377 1.00 0.00 O ATOM 0 H GLY A 16 15.016 0.653 -0.996 1.00 0.00 H new ATOM 0 HA2 GLY A 16 15.733 3.140 0.098 1.00 0.00 H new ATOM 0 HA3 GLY A 16 14.788 2.272 1.292 1.00 0.00 H new ATOM 262 N ASP A 17 17.571 1.891 1.444 1.00 0.00 N ATOM 263 CA ASP A 17 18.789 1.183 1.806 1.00 0.00 C ATOM 264 C ASP A 17 18.493 0.148 2.881 1.00 0.00 C ATOM 265 O ASP A 17 18.982 -0.980 2.824 1.00 0.00 O ATOM 266 CB ASP A 17 19.865 2.165 2.282 1.00 0.00 C ATOM 267 CG ASP A 17 19.469 2.920 3.537 1.00 0.00 C ATOM 268 OD1 ASP A 17 18.547 3.762 3.464 1.00 0.00 O ATOM 269 OD2 ASP A 17 20.085 2.680 4.597 1.00 0.00 O ATOM 0 H ASP A 17 17.529 2.856 1.771 1.00 0.00 H new ATOM 0 HA ASP A 17 19.168 0.669 0.923 1.00 0.00 H new ATOM 0 HB2 ASP A 17 20.789 1.619 2.470 1.00 0.00 H new ATOM 0 HB3 ASP A 17 20.074 2.880 1.486 1.00 0.00 H new ATOM 274 N ASP A 18 17.654 0.524 3.833 1.00 0.00 N ATOM 275 CA ASP A 18 17.272 -0.369 4.912 1.00 0.00 C ATOM 276 C ASP A 18 15.759 -0.538 4.918 1.00 0.00 C ATOM 277 O ASP A 18 15.044 0.272 4.330 1.00 0.00 O ATOM 278 CB ASP A 18 17.748 0.198 6.253 1.00 0.00 C ATOM 279 CG ASP A 18 17.681 -0.813 7.381 1.00 0.00 C ATOM 280 OD1 ASP A 18 16.610 -0.943 8.013 1.00 0.00 O ATOM 281 OD2 ASP A 18 18.704 -1.474 7.649 1.00 0.00 O ATOM 0 H ASP A 18 17.223 1.447 3.879 1.00 0.00 H new ATOM 0 HA ASP A 18 17.739 -1.342 4.760 1.00 0.00 H new ATOM 0 HB2 ASP A 18 18.774 0.550 6.149 1.00 0.00 H new ATOM 0 HB3 ASP A 18 17.139 1.064 6.512 1.00 0.00 H new ATOM 286 N GLU A 19 15.269 -1.581 5.575 1.00 0.00 N ATOM 287 CA GLU A 19 13.833 -1.818 5.653 1.00 0.00 C ATOM 288 C GLU A 19 13.173 -0.812 6.591 1.00 0.00 C ATOM 289 O GLU A 19 11.994 -0.493 6.443 1.00 0.00 O ATOM 290 CB GLU A 19 13.535 -3.241 6.122 1.00 0.00 C ATOM 291 CG GLU A 19 14.071 -4.316 5.194 1.00 0.00 C ATOM 292 CD GLU A 19 13.535 -5.690 5.535 1.00 0.00 C ATOM 293 OE1 GLU A 19 13.918 -6.242 6.584 1.00 0.00 O ATOM 294 OE2 GLU A 19 12.707 -6.220 4.760 1.00 0.00 O ATOM 0 H GLU A 19 15.841 -2.273 6.059 1.00 0.00 H new ATOM 0 HA GLU A 19 13.421 -1.692 4.652 1.00 0.00 H new ATOM 0 HB2 GLU A 19 13.963 -3.384 7.114 1.00 0.00 H new ATOM 0 HB3 GLU A 19 12.456 -3.363 6.220 1.00 0.00 H new ATOM 0 HG2 GLU A 19 13.806 -4.070 4.166 1.00 0.00 H new ATOM 0 HG3 GLU A 19 15.160 -4.330 5.248 1.00 0.00 H new ATOM 301 N ASN A 20 13.937 -0.323 7.558 1.00 0.00 N ATOM 302 CA ASN A 20 13.449 0.708 8.467 1.00 0.00 C ATOM 303 C ASN A 20 13.471 2.063 7.775 1.00 0.00 C ATOM 304 O ASN A 20 12.589 2.897 7.975 1.00 0.00 O ATOM 305 CB ASN A 20 14.308 0.753 9.734 1.00 0.00 C ATOM 306 CG ASN A 20 14.003 1.951 10.618 1.00 0.00 C ATOM 307 OD1 ASN A 20 14.591 3.020 10.458 1.00 0.00 O ATOM 308 ND2 ASN A 20 13.095 1.778 11.564 1.00 0.00 N ATOM 0 H ASN A 20 14.896 -0.622 7.734 1.00 0.00 H new ATOM 0 HA ASN A 20 12.424 0.468 8.749 1.00 0.00 H new ATOM 0 HB2 ASN A 20 14.151 -0.162 10.305 1.00 0.00 H new ATOM 0 HB3 ASN A 20 15.361 0.776 9.452 1.00 0.00 H new ATOM 0 HD21 ASN A 20 12.861 2.546 12.193 1.00 0.00 H new ATOM 0 HD22 ASN A 20 12.629 0.876 11.665 1.00 0.00 H new ATOM 315 N ASN A 21 14.473 2.256 6.929 1.00 0.00 N ATOM 316 CA ASN A 21 14.671 3.528 6.254 1.00 0.00 C ATOM 317 C ASN A 21 14.257 3.402 4.795 1.00 0.00 C ATOM 318 O ASN A 21 15.001 3.744 3.874 1.00 0.00 O ATOM 319 CB ASN A 21 16.133 3.981 6.386 1.00 0.00 C ATOM 320 CG ASN A 21 16.351 5.418 5.941 1.00 0.00 C ATOM 321 OD1 ASN A 21 16.053 6.358 6.678 1.00 0.00 O ATOM 322 ND2 ASN A 21 16.915 5.599 4.758 1.00 0.00 N ATOM 0 H ASN A 21 15.164 1.543 6.694 1.00 0.00 H new ATOM 0 HA ASN A 21 14.047 4.289 6.723 1.00 0.00 H new ATOM 0 HB2 ASN A 21 16.448 3.876 7.424 1.00 0.00 H new ATOM 0 HB3 ASN A 21 16.767 3.322 5.792 1.00 0.00 H new ATOM 0 HD21 ASN A 21 17.117 6.543 4.429 1.00 0.00 H new ATOM 0 HD22 ASN A 21 17.147 4.795 4.175 1.00 0.00 H new ATOM 329 N ALA A 22 13.066 2.866 4.593 1.00 0.00 N ATOM 330 CA ALA A 22 12.478 2.805 3.268 1.00 0.00 C ATOM 331 C ALA A 22 12.020 4.193 2.846 1.00 0.00 C ATOM 332 O ALA A 22 11.154 4.791 3.485 1.00 0.00 O ATOM 333 CB ALA A 22 11.314 1.828 3.244 1.00 0.00 C ATOM 0 H ALA A 22 12.487 2.466 5.332 1.00 0.00 H new ATOM 0 HA ALA A 22 13.230 2.451 2.563 1.00 0.00 H new ATOM 0 HB1 ALA A 22 10.886 1.796 2.242 1.00 0.00 H new ATOM 0 HB2 ALA A 22 11.667 0.834 3.519 1.00 0.00 H new ATOM 0 HB3 ALA A 22 10.552 2.152 3.953 1.00 0.00 H new ATOM 339 N LEU A 23 12.617 4.709 1.782 1.00 0.00 N ATOM 340 CA LEU A 23 12.303 6.051 1.310 1.00 0.00 C ATOM 341 C LEU A 23 10.889 6.097 0.750 1.00 0.00 C ATOM 342 O LEU A 23 10.194 7.104 0.871 1.00 0.00 O ATOM 343 CB LEU A 23 13.305 6.492 0.243 1.00 0.00 C ATOM 344 CG LEU A 23 14.762 6.557 0.707 1.00 0.00 C ATOM 345 CD1 LEU A 23 15.676 6.941 -0.445 1.00 0.00 C ATOM 346 CD2 LEU A 23 14.916 7.537 1.859 1.00 0.00 C ATOM 0 H LEU A 23 13.321 4.220 1.229 1.00 0.00 H new ATOM 0 HA LEU A 23 12.369 6.737 2.155 1.00 0.00 H new ATOM 0 HB2 LEU A 23 13.239 5.805 -0.601 1.00 0.00 H new ATOM 0 HB3 LEU A 23 13.012 7.476 -0.123 1.00 0.00 H new ATOM 0 HG LEU A 23 15.051 5.567 1.059 1.00 0.00 H new ATOM 0 HD11 LEU A 23 16.707 6.982 -0.094 1.00 0.00 H new ATOM 0 HD12 LEU A 23 15.592 6.199 -1.239 1.00 0.00 H new ATOM 0 HD13 LEU A 23 15.385 7.918 -0.830 1.00 0.00 H new ATOM 0 HD21 LEU A 23 15.959 7.568 2.173 1.00 0.00 H new ATOM 0 HD22 LEU A 23 14.605 8.530 1.536 1.00 0.00 H new ATOM 0 HD23 LEU A 23 14.294 7.216 2.695 1.00 0.00 H new ATOM 358 N ALA A 24 10.471 5.000 0.144 1.00 0.00 N ATOM 359 CA ALA A 24 9.130 4.894 -0.397 1.00 0.00 C ATOM 360 C ALA A 24 8.689 3.443 -0.449 1.00 0.00 C ATOM 361 O ALA A 24 9.432 2.581 -0.918 1.00 0.00 O ATOM 362 CB ALA A 24 9.066 5.513 -1.784 1.00 0.00 C ATOM 0 H ALA A 24 11.045 4.167 0.014 1.00 0.00 H new ATOM 0 HA ALA A 24 8.452 5.439 0.260 1.00 0.00 H new ATOM 0 HB1 ALA A 24 8.053 5.425 -2.175 1.00 0.00 H new ATOM 0 HB2 ALA A 24 9.342 6.566 -1.726 1.00 0.00 H new ATOM 0 HB3 ALA A 24 9.757 4.993 -2.447 1.00 0.00 H new ATOM 368 N GLU A 25 7.495 3.173 0.054 1.00 0.00 N ATOM 369 CA GLU A 25 6.901 1.848 -0.049 1.00 0.00 C ATOM 370 C GLU A 25 5.473 1.955 -0.569 1.00 0.00 C ATOM 371 O GLU A 25 4.747 2.886 -0.228 1.00 0.00 O ATOM 372 CB GLU A 25 6.902 1.120 1.303 1.00 0.00 C ATOM 373 CG GLU A 25 6.112 1.833 2.395 1.00 0.00 C ATOM 374 CD GLU A 25 5.731 0.918 3.541 1.00 0.00 C ATOM 375 OE1 GLU A 25 6.634 0.360 4.199 1.00 0.00 O ATOM 376 OE2 GLU A 25 4.515 0.755 3.790 1.00 0.00 O ATOM 0 H GLU A 25 6.915 3.857 0.540 1.00 0.00 H new ATOM 0 HA GLU A 25 7.506 1.269 -0.747 1.00 0.00 H new ATOM 0 HB2 GLU A 25 6.490 0.120 1.165 1.00 0.00 H new ATOM 0 HB3 GLU A 25 7.932 0.997 1.636 1.00 0.00 H new ATOM 0 HG2 GLU A 25 6.704 2.663 2.781 1.00 0.00 H new ATOM 0 HG3 GLU A 25 5.208 2.260 1.962 1.00 0.00 H new ATOM 383 N ILE A 26 5.078 1.012 -1.404 1.00 0.00 N ATOM 384 CA ILE A 26 3.714 0.957 -1.891 1.00 0.00 C ATOM 385 C ILE A 26 3.112 -0.409 -1.587 1.00 0.00 C ATOM 386 O ILE A 26 3.714 -1.448 -1.878 1.00 0.00 O ATOM 387 CB ILE A 26 3.626 1.261 -3.406 1.00 0.00 C ATOM 388 CG1 ILE A 26 2.164 1.243 -3.866 1.00 0.00 C ATOM 389 CG2 ILE A 26 4.458 0.270 -4.211 1.00 0.00 C ATOM 390 CD1 ILE A 26 1.978 1.637 -5.315 1.00 0.00 C ATOM 0 H ILE A 26 5.684 0.273 -1.759 1.00 0.00 H new ATOM 0 HA ILE A 26 3.144 1.729 -1.374 1.00 0.00 H new ATOM 0 HB ILE A 26 4.033 2.257 -3.581 1.00 0.00 H new ATOM 0 HG12 ILE A 26 1.757 0.243 -3.715 1.00 0.00 H new ATOM 0 HG13 ILE A 26 1.586 1.920 -3.237 1.00 0.00 H new ATOM 0 HG21 ILE A 26 4.379 0.506 -5.272 1.00 0.00 H new ATOM 0 HG22 ILE A 26 5.501 0.335 -3.902 1.00 0.00 H new ATOM 0 HG23 ILE A 26 4.090 -0.741 -4.036 1.00 0.00 H new ATOM 0 HD11 ILE A 26 0.919 1.601 -5.569 1.00 0.00 H new ATOM 0 HD12 ILE A 26 2.354 2.649 -5.468 1.00 0.00 H new ATOM 0 HD13 ILE A 26 2.527 0.945 -5.954 1.00 0.00 H new ATOM 402 N THR A 27 1.946 -0.407 -0.968 1.00 0.00 N ATOM 403 CA THR A 27 1.288 -1.642 -0.592 1.00 0.00 C ATOM 404 C THR A 27 0.058 -1.887 -1.451 1.00 0.00 C ATOM 405 O THR A 27 -0.703 -0.966 -1.746 1.00 0.00 O ATOM 406 CB THR A 27 0.882 -1.620 0.892 1.00 0.00 C ATOM 407 OG1 THR A 27 0.140 -0.430 1.182 1.00 0.00 O ATOM 408 CG2 THR A 27 2.106 -1.683 1.790 1.00 0.00 C ATOM 0 H THR A 27 1.435 0.439 -0.715 1.00 0.00 H new ATOM 0 HA THR A 27 1.999 -2.452 -0.753 1.00 0.00 H new ATOM 0 HB THR A 27 0.260 -2.494 1.085 1.00 0.00 H new ATOM 0 HG1 THR A 27 -0.586 -0.641 1.806 1.00 0.00 H new ATOM 0 HG21 THR A 27 1.793 -1.666 2.834 1.00 0.00 H new ATOM 0 HG22 THR A 27 2.656 -2.603 1.591 1.00 0.00 H new ATOM 0 HG23 THR A 27 2.748 -0.825 1.590 1.00 0.00 H new ATOM 416 N TYR A 28 -0.127 -3.133 -1.851 1.00 0.00 N ATOM 417 CA TYR A 28 -1.282 -3.512 -2.641 1.00 0.00 C ATOM 418 C TYR A 28 -1.719 -4.919 -2.256 1.00 0.00 C ATOM 419 O TYR A 28 -0.887 -5.782 -1.978 1.00 0.00 O ATOM 420 CB TYR A 28 -0.981 -3.425 -4.148 1.00 0.00 C ATOM 421 CG TYR A 28 -0.090 -4.528 -4.684 1.00 0.00 C ATOM 422 CD1 TYR A 28 1.265 -4.578 -4.374 1.00 0.00 C ATOM 423 CD2 TYR A 28 -0.609 -5.523 -5.504 1.00 0.00 C ATOM 424 CE1 TYR A 28 2.072 -5.585 -4.868 1.00 0.00 C ATOM 425 CE2 TYR A 28 0.193 -6.530 -6.002 1.00 0.00 C ATOM 426 CZ TYR A 28 1.531 -6.557 -5.682 1.00 0.00 C ATOM 427 OH TYR A 28 2.329 -7.560 -6.180 1.00 0.00 O ATOM 0 H TYR A 28 0.511 -3.901 -1.640 1.00 0.00 H new ATOM 0 HA TYR A 28 -2.093 -2.815 -2.432 1.00 0.00 H new ATOM 0 HB2 TYR A 28 -1.924 -3.442 -4.694 1.00 0.00 H new ATOM 0 HB3 TYR A 28 -0.510 -2.464 -4.355 1.00 0.00 H new ATOM 0 HD1 TYR A 28 1.693 -3.818 -3.737 1.00 0.00 H new ATOM 0 HD2 TYR A 28 -1.659 -5.508 -5.756 1.00 0.00 H new ATOM 0 HE1 TYR A 28 3.122 -5.610 -4.617 1.00 0.00 H new ATOM 0 HE2 TYR A 28 -0.228 -7.293 -6.640 1.00 0.00 H new ATOM 0 HH TYR A 28 1.790 -8.162 -6.734 1.00 0.00 H new ATOM 437 N ARG A 29 -3.018 -5.137 -2.216 1.00 0.00 N ATOM 438 CA ARG A 29 -3.558 -6.420 -1.798 1.00 0.00 C ATOM 439 C ARG A 29 -4.686 -6.867 -2.716 1.00 0.00 C ATOM 440 O ARG A 29 -5.530 -6.064 -3.114 1.00 0.00 O ATOM 441 CB ARG A 29 -4.052 -6.326 -0.351 1.00 0.00 C ATOM 442 CG ARG A 29 -4.972 -5.138 -0.093 1.00 0.00 C ATOM 443 CD ARG A 29 -5.310 -4.995 1.383 1.00 0.00 C ATOM 444 NE ARG A 29 -6.094 -6.125 1.885 1.00 0.00 N ATOM 445 CZ ARG A 29 -5.616 -7.057 2.706 1.00 0.00 C ATOM 446 NH1 ARG A 29 -4.361 -6.990 3.134 1.00 0.00 N ATOM 447 NH2 ARG A 29 -6.403 -8.046 3.110 1.00 0.00 N ATOM 0 H ARG A 29 -3.722 -4.443 -2.468 1.00 0.00 H new ATOM 0 HA ARG A 29 -2.765 -7.165 -1.859 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -4.580 -7.245 -0.096 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -3.191 -6.258 0.314 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -4.494 -4.225 -0.446 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -5.891 -5.259 -0.666 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -4.388 -4.911 1.958 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -5.868 -4.071 1.538 1.00 0.00 H new ATOM 0 HE ARG A 29 -7.066 -6.203 1.587 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -3.760 -6.223 2.834 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -3.998 -7.706 3.763 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -7.371 -8.090 2.791 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -6.040 -8.762 3.739 1.00 0.00 H new ATOM 461 N PHE A 30 -4.687 -8.145 -3.059 1.00 0.00 N ATOM 462 CA PHE A 30 -5.749 -8.717 -3.872 1.00 0.00 C ATOM 463 C PHE A 30 -7.019 -8.853 -3.045 1.00 0.00 C ATOM 464 O PHE A 30 -7.183 -9.813 -2.293 1.00 0.00 O ATOM 465 CB PHE A 30 -5.342 -10.087 -4.431 1.00 0.00 C ATOM 466 CG PHE A 30 -4.302 -10.031 -5.517 1.00 0.00 C ATOM 467 CD1 PHE A 30 -2.957 -9.888 -5.208 1.00 0.00 C ATOM 468 CD2 PHE A 30 -4.672 -10.133 -6.850 1.00 0.00 C ATOM 469 CE1 PHE A 30 -2.003 -9.846 -6.206 1.00 0.00 C ATOM 470 CE2 PHE A 30 -3.721 -10.091 -7.852 1.00 0.00 C ATOM 471 CZ PHE A 30 -2.385 -9.948 -7.529 1.00 0.00 C ATOM 0 H PHE A 30 -3.962 -8.808 -2.786 1.00 0.00 H new ATOM 0 HA PHE A 30 -5.932 -8.047 -4.712 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -4.964 -10.701 -3.614 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -6.230 -10.585 -4.820 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -2.652 -9.809 -4.175 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -5.715 -10.246 -7.108 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -0.959 -9.733 -5.952 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -4.022 -10.170 -8.886 1.00 0.00 H new ATOM 0 HZ PHE A 30 -1.640 -9.916 -8.311 1.00 0.00 H new ATOM 481 N VAL A 31 -7.905 -7.878 -3.169 1.00 0.00 N ATOM 482 CA VAL A 31 -9.134 -7.874 -2.397 1.00 0.00 C ATOM 483 C VAL A 31 -10.183 -8.763 -3.047 1.00 0.00 C ATOM 484 O VAL A 31 -11.059 -9.304 -2.374 1.00 0.00 O ATOM 485 CB VAL A 31 -9.693 -6.447 -2.221 1.00 0.00 C ATOM 486 CG1 VAL A 31 -8.739 -5.608 -1.388 1.00 0.00 C ATOM 487 CG2 VAL A 31 -9.947 -5.785 -3.568 1.00 0.00 C ATOM 0 H VAL A 31 -7.795 -7.081 -3.796 1.00 0.00 H new ATOM 0 HA VAL A 31 -8.894 -8.269 -1.410 1.00 0.00 H new ATOM 0 HB VAL A 31 -10.647 -6.519 -1.699 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -9.145 -4.603 -1.271 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -8.614 -6.065 -0.406 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -7.772 -5.553 -1.888 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -10.341 -4.781 -3.411 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -9.013 -5.726 -4.126 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -10.670 -6.374 -4.132 1.00 0.00 H new ATOM 497 N ASP A 32 -10.069 -8.930 -4.356 1.00 0.00 N ATOM 498 CA ASP A 32 -11.017 -9.738 -5.102 1.00 0.00 C ATOM 499 C ASP A 32 -10.286 -10.528 -6.183 1.00 0.00 C ATOM 500 O ASP A 32 -9.071 -10.712 -6.096 1.00 0.00 O ATOM 501 CB ASP A 32 -12.097 -8.847 -5.718 1.00 0.00 C ATOM 502 CG ASP A 32 -13.407 -9.584 -5.906 1.00 0.00 C ATOM 503 OD1 ASP A 32 -13.595 -10.217 -6.967 1.00 0.00 O ATOM 504 OD2 ASP A 32 -14.247 -9.550 -4.985 1.00 0.00 O ATOM 0 H ASP A 32 -9.329 -8.516 -4.922 1.00 0.00 H new ATOM 0 HA ASP A 32 -11.500 -10.442 -4.425 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -12.259 -7.979 -5.078 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -11.751 -8.473 -6.681 1.00 0.00 H new ATOM 509 N ASN A 33 -11.022 -10.976 -7.199 1.00 0.00 N ATOM 510 CA ASN A 33 -10.479 -11.853 -8.235 1.00 0.00 C ATOM 511 C ASN A 33 -9.250 -11.243 -8.915 1.00 0.00 C ATOM 512 O ASN A 33 -8.172 -11.835 -8.901 1.00 0.00 O ATOM 513 CB ASN A 33 -11.571 -12.214 -9.267 1.00 0.00 C ATOM 514 CG ASN A 33 -12.078 -11.038 -10.091 1.00 0.00 C ATOM 515 OD1 ASN A 33 -11.588 -10.775 -11.191 1.00 0.00 O ATOM 516 ND2 ASN A 33 -13.054 -10.317 -9.566 1.00 0.00 N ATOM 0 H ASN A 33 -12.007 -10.743 -7.327 1.00 0.00 H new ATOM 0 HA ASN A 33 -10.148 -12.772 -7.751 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -11.176 -12.972 -9.944 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -12.414 -12.663 -8.742 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -13.425 -9.514 -10.074 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -13.436 -10.564 -8.653 1.00 0.00 H new ATOM 523 N ASN A 34 -9.404 -10.056 -9.486 1.00 0.00 N ATOM 524 CA ASN A 34 -8.295 -9.379 -10.151 1.00 0.00 C ATOM 525 C ASN A 34 -8.143 -7.962 -9.627 1.00 0.00 C ATOM 526 O ASN A 34 -7.334 -7.189 -10.131 1.00 0.00 O ATOM 527 CB ASN A 34 -8.493 -9.337 -11.675 1.00 0.00 C ATOM 528 CG ASN A 34 -8.331 -10.692 -12.349 1.00 0.00 C ATOM 529 OD1 ASN A 34 -7.512 -11.562 -11.775 1.00 0.00 O flip ATOM 530 ND2 ASN A 34 -8.937 -10.952 -13.388 1.00 0.00 N flip ATOM 0 H ASN A 34 -10.284 -9.541 -9.503 1.00 0.00 H new ATOM 0 HA ASN A 34 -7.391 -9.948 -9.933 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -9.488 -8.949 -11.893 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -7.777 -8.638 -12.107 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -9.560 -10.258 -13.802 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -8.817 -11.861 -13.835 1.00 0.00 H new ATOM 537 N GLU A 35 -8.924 -7.622 -8.614 1.00 0.00 N ATOM 538 CA GLU A 35 -8.901 -6.277 -8.063 1.00 0.00 C ATOM 539 C GLU A 35 -7.866 -6.167 -6.954 1.00 0.00 C ATOM 540 O GLU A 35 -7.935 -6.882 -5.950 1.00 0.00 O ATOM 541 CB GLU A 35 -10.282 -5.892 -7.529 1.00 0.00 C ATOM 542 CG GLU A 35 -11.372 -5.918 -8.588 1.00 0.00 C ATOM 543 CD GLU A 35 -12.719 -5.500 -8.042 1.00 0.00 C ATOM 544 OE1 GLU A 35 -13.356 -6.310 -7.346 1.00 0.00 O ATOM 545 OE2 GLU A 35 -13.150 -4.358 -8.310 1.00 0.00 O ATOM 0 H GLU A 35 -9.580 -8.257 -8.158 1.00 0.00 H new ATOM 0 HA GLU A 35 -8.629 -5.589 -8.863 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -10.554 -6.574 -6.723 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -10.230 -4.892 -7.097 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -11.094 -5.255 -9.407 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -11.448 -6.923 -9.003 1.00 0.00 H new ATOM 552 N ILE A 36 -6.905 -5.279 -7.146 1.00 0.00 N ATOM 553 CA ILE A 36 -5.891 -5.018 -6.141 1.00 0.00 C ATOM 554 C ILE A 36 -6.114 -3.646 -5.516 1.00 0.00 C ATOM 555 O ILE A 36 -6.397 -2.669 -6.213 1.00 0.00 O ATOM 556 CB ILE A 36 -4.461 -5.105 -6.722 1.00 0.00 C ATOM 557 CG1 ILE A 36 -4.290 -4.164 -7.919 1.00 0.00 C ATOM 558 CG2 ILE A 36 -4.147 -6.538 -7.121 1.00 0.00 C ATOM 559 CD1 ILE A 36 -2.886 -4.154 -8.490 1.00 0.00 C ATOM 0 H ILE A 36 -6.807 -4.723 -7.996 1.00 0.00 H new ATOM 0 HA ILE A 36 -5.984 -5.789 -5.377 1.00 0.00 H new ATOM 0 HB ILE A 36 -3.759 -4.790 -5.950 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -4.989 -4.456 -8.702 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -4.556 -3.152 -7.615 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -3.138 -6.589 -7.529 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -4.217 -7.183 -6.245 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -4.861 -6.870 -7.875 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -2.841 -3.465 -9.334 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -2.183 -3.832 -7.722 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -2.623 -5.157 -8.826 1.00 0.00 H new ATOM 571 N ASN A 37 -6.016 -3.584 -4.201 1.00 0.00 N ATOM 572 CA ASN A 37 -6.240 -2.344 -3.478 1.00 0.00 C ATOM 573 C ASN A 37 -4.940 -1.798 -2.916 1.00 0.00 C ATOM 574 O ASN A 37 -4.205 -2.506 -2.227 1.00 0.00 O ATOM 575 CB ASN A 37 -7.249 -2.555 -2.346 1.00 0.00 C ATOM 576 CG ASN A 37 -7.393 -1.336 -1.451 1.00 0.00 C ATOM 577 OD1 ASN A 37 -6.708 -1.213 -0.438 1.00 0.00 O ATOM 578 ND2 ASN A 37 -8.283 -0.425 -1.820 1.00 0.00 N ATOM 0 H ASN A 37 -5.782 -4.381 -3.609 1.00 0.00 H new ATOM 0 HA ASN A 37 -6.645 -1.617 -4.182 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -8.221 -2.803 -2.773 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -6.938 -3.408 -1.743 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -8.418 0.414 -1.256 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -8.833 -0.563 -2.668 1.00 0.00 H new ATOM 585 N ILE A 38 -4.657 -0.548 -3.236 1.00 0.00 N ATOM 586 CA ILE A 38 -3.527 0.158 -2.662 1.00 0.00 C ATOM 587 C ILE A 38 -4.009 0.992 -1.482 1.00 0.00 C ATOM 588 O ILE A 38 -4.624 2.048 -1.668 1.00 0.00 O ATOM 589 CB ILE A 38 -2.846 1.073 -3.706 1.00 0.00 C ATOM 590 CG1 ILE A 38 -2.390 0.251 -4.917 1.00 0.00 C ATOM 591 CG2 ILE A 38 -1.667 1.816 -3.086 1.00 0.00 C ATOM 592 CD1 ILE A 38 -1.806 1.087 -6.037 1.00 0.00 C ATOM 0 H ILE A 38 -5.202 0.004 -3.898 1.00 0.00 H new ATOM 0 HA ILE A 38 -2.792 -0.575 -2.329 1.00 0.00 H new ATOM 0 HB ILE A 38 -3.573 1.812 -4.043 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -1.645 -0.476 -4.592 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -3.239 -0.314 -5.302 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -1.203 2.454 -3.838 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -2.019 2.430 -2.257 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -0.935 1.096 -2.719 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -1.506 0.436 -6.858 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -2.555 1.796 -6.390 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -0.936 1.631 -5.669 1.00 0.00 H new ATOM 604 N ASP A 39 -3.761 0.503 -0.273 1.00 0.00 N ATOM 605 CA ASP A 39 -4.279 1.153 0.924 1.00 0.00 C ATOM 606 C ASP A 39 -3.442 2.374 1.282 1.00 0.00 C ATOM 607 O ASP A 39 -3.973 3.378 1.754 1.00 0.00 O ATOM 608 CB ASP A 39 -4.341 0.175 2.110 1.00 0.00 C ATOM 609 CG ASP A 39 -2.981 -0.121 2.712 1.00 0.00 C ATOM 610 OD1 ASP A 39 -2.220 -0.906 2.111 1.00 0.00 O ATOM 611 OD2 ASP A 39 -2.667 0.438 3.784 1.00 0.00 O ATOM 0 H ASP A 39 -3.208 -0.336 -0.096 1.00 0.00 H new ATOM 0 HA ASP A 39 -5.295 1.482 0.707 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -4.990 0.590 2.881 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -4.796 -0.759 1.779 1.00 0.00 H new ATOM 616 N HIS A 40 -2.137 2.301 1.041 1.00 0.00 N ATOM 617 CA HIS A 40 -1.265 3.429 1.322 1.00 0.00 C ATOM 618 C HIS A 40 -0.015 3.387 0.458 1.00 0.00 C ATOM 619 O HIS A 40 0.424 2.324 0.017 1.00 0.00 O ATOM 620 CB HIS A 40 -0.879 3.476 2.813 1.00 0.00 C ATOM 621 CG HIS A 40 0.138 2.455 3.251 1.00 0.00 C ATOM 622 ND1 HIS A 40 -0.199 1.228 3.777 1.00 0.00 N ATOM 623 CD2 HIS A 40 1.492 2.507 3.269 1.00 0.00 C ATOM 624 CE1 HIS A 40 0.900 0.574 4.103 1.00 0.00 C ATOM 625 NE2 HIS A 40 1.940 1.327 3.802 1.00 0.00 N ATOM 0 H HIS A 40 -1.667 1.482 0.656 1.00 0.00 H new ATOM 0 HA HIS A 40 -1.819 4.336 1.081 1.00 0.00 H new ATOM 0 HB2 HIS A 40 -0.492 4.469 3.039 1.00 0.00 H new ATOM 0 HB3 HIS A 40 -1.782 3.343 3.409 1.00 0.00 H new ATOM 0 HD1 HIS A 40 -1.150 0.879 3.896 1.00 0.00 H new ATOM 0 HD2 HIS A 40 2.105 3.327 2.926 1.00 0.00 H new ATOM 0 HE1 HIS A 40 0.941 -0.412 4.542 1.00 0.00 H new ATOM 0 HE2 HIS A 40 2.918 1.073 3.943 1.00 0.00 H new ATOM 634 N THR A 41 0.545 4.554 0.216 1.00 0.00 N ATOM 635 CA THR A 41 1.818 4.664 -0.460 1.00 0.00 C ATOM 636 C THR A 41 2.743 5.551 0.365 1.00 0.00 C ATOM 637 O THR A 41 2.668 6.779 0.302 1.00 0.00 O ATOM 638 CB THR A 41 1.649 5.234 -1.881 1.00 0.00 C ATOM 639 OG1 THR A 41 0.556 4.574 -2.532 1.00 0.00 O ATOM 640 CG2 THR A 41 2.912 5.032 -2.704 1.00 0.00 C ATOM 0 H THR A 41 0.132 5.448 0.481 1.00 0.00 H new ATOM 0 HA THR A 41 2.253 3.670 -0.558 1.00 0.00 H new ATOM 0 HB THR A 41 1.452 6.303 -1.800 1.00 0.00 H new ATOM 0 HG1 THR A 41 0.787 4.406 -3.469 1.00 0.00 H new ATOM 0 HG21 THR A 41 2.765 5.443 -3.703 1.00 0.00 H new ATOM 0 HG22 THR A 41 3.746 5.541 -2.221 1.00 0.00 H new ATOM 0 HG23 THR A 41 3.131 3.967 -2.779 1.00 0.00 H new ATOM 648 N GLY A 42 3.583 4.920 1.172 1.00 0.00 N ATOM 649 CA GLY A 42 4.438 5.655 2.081 1.00 0.00 C ATOM 650 C GLY A 42 5.645 6.232 1.382 1.00 0.00 C ATOM 651 O GLY A 42 6.726 5.647 1.411 1.00 0.00 O ATOM 0 H GLY A 42 3.688 3.906 1.213 1.00 0.00 H new ATOM 0 HA2 GLY A 42 3.868 6.461 2.543 1.00 0.00 H new ATOM 0 HA3 GLY A 42 4.766 4.995 2.884 1.00 0.00 H new ATOM 655 N VAL A 43 5.455 7.366 0.731 1.00 0.00 N ATOM 656 CA VAL A 43 6.538 8.034 0.036 1.00 0.00 C ATOM 657 C VAL A 43 7.079 9.179 0.873 1.00 0.00 C ATOM 658 O VAL A 43 6.382 10.165 1.115 1.00 0.00 O ATOM 659 CB VAL A 43 6.088 8.583 -1.333 1.00 0.00 C ATOM 660 CG1 VAL A 43 7.255 9.219 -2.076 1.00 0.00 C ATOM 661 CG2 VAL A 43 5.461 7.480 -2.165 1.00 0.00 C ATOM 0 H VAL A 43 4.556 7.844 0.670 1.00 0.00 H new ATOM 0 HA VAL A 43 7.319 7.291 -0.128 1.00 0.00 H new ATOM 0 HB VAL A 43 5.339 9.356 -1.160 1.00 0.00 H new ATOM 0 HG11 VAL A 43 6.911 9.598 -3.038 1.00 0.00 H new ATOM 0 HG12 VAL A 43 7.658 10.042 -1.485 1.00 0.00 H new ATOM 0 HG13 VAL A 43 8.033 8.473 -2.237 1.00 0.00 H new ATOM 0 HG21 VAL A 43 5.149 7.884 -3.128 1.00 0.00 H new ATOM 0 HG22 VAL A 43 6.190 6.685 -2.324 1.00 0.00 H new ATOM 0 HG23 VAL A 43 4.594 7.078 -1.642 1.00 0.00 H new ATOM 671 N SER A 44 8.308 9.040 1.329 1.00 0.00 N ATOM 672 CA SER A 44 8.969 10.114 2.036 1.00 0.00 C ATOM 673 C SER A 44 9.449 11.151 1.024 1.00 0.00 C ATOM 674 O SER A 44 10.104 10.812 0.038 1.00 0.00 O ATOM 675 CB SER A 44 10.140 9.568 2.848 1.00 0.00 C ATOM 676 OG SER A 44 9.737 8.455 3.634 1.00 0.00 O ATOM 0 H SER A 44 8.867 8.194 1.222 1.00 0.00 H new ATOM 0 HA SER A 44 8.271 10.585 2.729 1.00 0.00 H new ATOM 0 HB2 SER A 44 10.946 9.272 2.177 1.00 0.00 H new ATOM 0 HB3 SER A 44 10.536 10.351 3.495 1.00 0.00 H new ATOM 0 HG SER A 44 9.699 7.654 3.071 1.00 0.00 H new ATOM 766 N VAL A 52 10.297 8.756 -6.610 1.00 0.00 N ATOM 767 CA VAL A 52 10.658 7.376 -6.309 1.00 0.00 C ATOM 768 C VAL A 52 9.397 6.541 -6.088 1.00 0.00 C ATOM 769 O VAL A 52 9.301 5.398 -6.539 1.00 0.00 O ATOM 770 CB VAL A 52 11.566 7.294 -5.062 1.00 0.00 C ATOM 771 CG1 VAL A 52 11.935 5.850 -4.746 1.00 0.00 C ATOM 772 CG2 VAL A 52 12.818 8.135 -5.265 1.00 0.00 C ATOM 0 HA VAL A 52 11.212 6.980 -7.160 1.00 0.00 H new ATOM 0 HB VAL A 52 11.012 7.691 -4.211 1.00 0.00 H new ATOM 0 HG11 VAL A 52 12.574 5.823 -3.864 1.00 0.00 H new ATOM 0 HG12 VAL A 52 11.028 5.276 -4.555 1.00 0.00 H new ATOM 0 HG13 VAL A 52 12.467 5.417 -5.593 1.00 0.00 H new ATOM 0 HG21 VAL A 52 13.449 8.068 -4.379 1.00 0.00 H new ATOM 0 HG22 VAL A 52 13.368 7.766 -6.131 1.00 0.00 H new ATOM 0 HG23 VAL A 52 12.535 9.174 -5.431 1.00 0.00 H new ATOM 782 N GLY A 53 8.418 7.142 -5.419 1.00 0.00 N ATOM 783 CA GLY A 53 7.151 6.475 -5.190 1.00 0.00 C ATOM 784 C GLY A 53 6.358 6.306 -6.470 1.00 0.00 C ATOM 785 O GLY A 53 5.524 5.408 -6.579 1.00 0.00 O ATOM 0 H GLY A 53 8.481 8.083 -5.030 1.00 0.00 H new ATOM 0 HA2 GLY A 53 7.332 5.497 -4.744 1.00 0.00 H new ATOM 0 HA3 GLY A 53 6.564 7.049 -4.473 1.00 0.00 H new ATOM 789 N LYS A 54 6.627 7.166 -7.449 1.00 0.00 N ATOM 790 CA LYS A 54 5.954 7.089 -8.736 1.00 0.00 C ATOM 791 C LYS A 54 6.427 5.849 -9.483 1.00 0.00 C ATOM 792 O LYS A 54 5.638 5.172 -10.138 1.00 0.00 O ATOM 793 CB LYS A 54 6.213 8.366 -9.559 1.00 0.00 C ATOM 794 CG LYS A 54 5.325 8.517 -10.795 1.00 0.00 C ATOM 795 CD LYS A 54 5.825 7.682 -11.968 1.00 0.00 C ATOM 796 CE LYS A 54 4.803 7.620 -13.097 1.00 0.00 C ATOM 797 NZ LYS A 54 4.573 8.942 -13.742 1.00 0.00 N ATOM 0 H LYS A 54 7.307 7.923 -7.373 1.00 0.00 H new ATOM 0 HA LYS A 54 4.878 7.012 -8.577 1.00 0.00 H new ATOM 0 HB2 LYS A 54 6.068 9.233 -8.915 1.00 0.00 H new ATOM 0 HB3 LYS A 54 7.256 8.374 -9.874 1.00 0.00 H new ATOM 0 HG2 LYS A 54 4.306 8.219 -10.547 1.00 0.00 H new ATOM 0 HG3 LYS A 54 5.288 9.566 -11.088 1.00 0.00 H new ATOM 0 HD2 LYS A 54 6.756 8.105 -12.344 1.00 0.00 H new ATOM 0 HD3 LYS A 54 6.049 6.672 -11.625 1.00 0.00 H new ATOM 0 HE2 LYS A 54 5.143 6.908 -13.849 1.00 0.00 H new ATOM 0 HE3 LYS A 54 3.858 7.243 -12.705 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 3.870 8.840 -14.501 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 4.222 9.618 -13.033 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 5.466 9.293 -14.142 1.00 0.00 H new ATOM 811 N LYS A 55 7.714 5.542 -9.358 1.00 0.00 N ATOM 812 CA LYS A 55 8.276 4.354 -9.989 1.00 0.00 C ATOM 813 C LYS A 55 7.653 3.097 -9.393 1.00 0.00 C ATOM 814 O LYS A 55 7.398 2.119 -10.101 1.00 0.00 O ATOM 815 CB LYS A 55 9.794 4.306 -9.809 1.00 0.00 C ATOM 816 CG LYS A 55 10.526 5.509 -10.381 1.00 0.00 C ATOM 817 CD LYS A 55 12.030 5.288 -10.384 1.00 0.00 C ATOM 818 CE LYS A 55 12.425 4.188 -11.358 1.00 0.00 C ATOM 819 NZ LYS A 55 13.863 3.835 -11.256 1.00 0.00 N ATOM 0 H LYS A 55 8.385 6.097 -8.827 1.00 0.00 H new ATOM 0 HA LYS A 55 8.052 4.401 -11.055 1.00 0.00 H new ATOM 0 HB2 LYS A 55 10.021 4.228 -8.746 1.00 0.00 H new ATOM 0 HB3 LYS A 55 10.177 3.402 -10.283 1.00 0.00 H new ATOM 0 HG2 LYS A 55 10.182 5.698 -11.398 1.00 0.00 H new ATOM 0 HG3 LYS A 55 10.287 6.396 -9.794 1.00 0.00 H new ATOM 0 HD2 LYS A 55 12.535 6.215 -10.655 1.00 0.00 H new ATOM 0 HD3 LYS A 55 12.363 5.025 -9.380 1.00 0.00 H new ATOM 0 HE2 LYS A 55 11.821 3.301 -11.166 1.00 0.00 H new ATOM 0 HE3 LYS A 55 12.203 4.510 -12.376 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 14.085 3.082 -11.938 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 14.442 4.673 -11.465 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 14.071 3.502 -10.293 1.00 0.00 H new ATOM 833 N LEU A 56 7.413 3.133 -8.088 1.00 0.00 N ATOM 834 CA LEU A 56 6.758 2.031 -7.396 1.00 0.00 C ATOM 835 C LEU A 56 5.325 1.867 -7.882 1.00 0.00 C ATOM 836 O LEU A 56 4.898 0.762 -8.212 1.00 0.00 O ATOM 837 CB LEU A 56 6.771 2.268 -5.890 1.00 0.00 C ATOM 838 CG LEU A 56 8.140 2.157 -5.232 1.00 0.00 C ATOM 839 CD1 LEU A 56 8.043 2.506 -3.761 1.00 0.00 C ATOM 840 CD2 LEU A 56 8.696 0.753 -5.407 1.00 0.00 C ATOM 0 H LEU A 56 7.664 3.917 -7.486 1.00 0.00 H new ATOM 0 HA LEU A 56 7.308 1.116 -7.616 1.00 0.00 H new ATOM 0 HB2 LEU A 56 6.368 3.261 -5.690 1.00 0.00 H new ATOM 0 HB3 LEU A 56 6.099 1.551 -5.419 1.00 0.00 H new ATOM 0 HG LEU A 56 8.818 2.862 -5.713 1.00 0.00 H new ATOM 0 HD11 LEU A 56 9.028 2.423 -3.302 1.00 0.00 H new ATOM 0 HD12 LEU A 56 7.677 3.527 -3.653 1.00 0.00 H new ATOM 0 HD13 LEU A 56 7.354 1.819 -3.269 1.00 0.00 H new ATOM 0 HD21 LEU A 56 9.675 0.687 -4.932 1.00 0.00 H new ATOM 0 HD22 LEU A 56 8.020 0.034 -4.945 1.00 0.00 H new ATOM 0 HD23 LEU A 56 8.793 0.530 -6.470 1.00 0.00 H new ATOM 852 N LEU A 57 4.593 2.977 -7.934 1.00 0.00 N ATOM 853 CA LEU A 57 3.230 2.973 -8.449 1.00 0.00 C ATOM 854 C LEU A 57 3.220 2.453 -9.882 1.00 0.00 C ATOM 855 O LEU A 57 2.386 1.626 -10.249 1.00 0.00 O ATOM 856 CB LEU A 57 2.631 4.384 -8.395 1.00 0.00 C ATOM 857 CG LEU A 57 1.197 4.505 -8.919 1.00 0.00 C ATOM 858 CD1 LEU A 57 0.234 3.703 -8.052 1.00 0.00 C ATOM 859 CD2 LEU A 57 0.777 5.965 -8.980 1.00 0.00 C ATOM 0 H LEU A 57 4.923 3.891 -7.625 1.00 0.00 H new ATOM 0 HA LEU A 57 2.622 2.316 -7.827 1.00 0.00 H new ATOM 0 HB2 LEU A 57 2.654 4.732 -7.362 1.00 0.00 H new ATOM 0 HB3 LEU A 57 3.269 5.054 -8.971 1.00 0.00 H new ATOM 0 HG LEU A 57 1.164 4.094 -9.928 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -0.778 3.804 -8.443 1.00 0.00 H new ATOM 0 HD12 LEU A 57 0.524 2.652 -8.062 1.00 0.00 H new ATOM 0 HD13 LEU A 57 0.267 4.078 -7.029 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -0.244 6.034 -9.354 1.00 0.00 H new ATOM 0 HD22 LEU A 57 0.828 6.400 -7.982 1.00 0.00 H new ATOM 0 HD23 LEU A 57 1.446 6.508 -9.648 1.00 0.00 H new ATOM 871 N LYS A 58 4.173 2.933 -10.674 1.00 0.00 N ATOM 872 CA LYS A 58 4.316 2.507 -12.059 1.00 0.00 C ATOM 873 C LYS A 58 4.485 0.996 -12.144 1.00 0.00 C ATOM 874 O LYS A 58 3.859 0.347 -12.967 1.00 0.00 O ATOM 875 CB LYS A 58 5.526 3.182 -12.703 1.00 0.00 C ATOM 876 CG LYS A 58 5.622 2.966 -14.206 1.00 0.00 C ATOM 877 CD LYS A 58 7.025 3.247 -14.716 1.00 0.00 C ATOM 878 CE LYS A 58 7.968 2.094 -14.405 1.00 0.00 C ATOM 879 NZ LYS A 58 7.703 0.911 -15.270 1.00 0.00 N ATOM 0 H LYS A 58 4.862 3.623 -10.376 1.00 0.00 H new ATOM 0 HA LYS A 58 3.411 2.797 -12.592 1.00 0.00 H new ATOM 0 HB2 LYS A 58 5.483 4.252 -12.501 1.00 0.00 H new ATOM 0 HB3 LYS A 58 6.434 2.805 -12.232 1.00 0.00 H new ATOM 0 HG2 LYS A 58 5.344 1.940 -14.446 1.00 0.00 H new ATOM 0 HG3 LYS A 58 4.911 3.616 -14.715 1.00 0.00 H new ATOM 0 HD2 LYS A 58 6.996 3.415 -15.793 1.00 0.00 H new ATOM 0 HD3 LYS A 58 7.403 4.162 -14.260 1.00 0.00 H new ATOM 0 HE2 LYS A 58 8.999 2.421 -14.543 1.00 0.00 H new ATOM 0 HE3 LYS A 58 7.861 1.810 -13.358 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 7.569 0.069 -14.675 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 6.844 1.078 -15.832 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 8.510 0.759 -15.908 1.00 0.00 H new ATOM 893 N ALA A 59 5.335 0.447 -11.279 1.00 0.00 N ATOM 894 CA ALA A 59 5.610 -0.985 -11.270 1.00 0.00 C ATOM 895 C ALA A 59 4.356 -1.789 -10.942 1.00 0.00 C ATOM 896 O ALA A 59 4.091 -2.817 -11.564 1.00 0.00 O ATOM 897 CB ALA A 59 6.726 -1.308 -10.285 1.00 0.00 C ATOM 0 H ALA A 59 5.846 0.976 -10.573 1.00 0.00 H new ATOM 0 HA ALA A 59 5.935 -1.269 -12.271 1.00 0.00 H new ATOM 0 HB1 ALA A 59 6.918 -2.381 -10.292 1.00 0.00 H new ATOM 0 HB2 ALA A 59 7.632 -0.776 -10.574 1.00 0.00 H new ATOM 0 HB3 ALA A 59 6.428 -0.999 -9.283 1.00 0.00 H new ATOM 903 N VAL A 60 3.587 -1.313 -9.972 1.00 0.00 N ATOM 904 CA VAL A 60 2.350 -1.980 -9.582 1.00 0.00 C ATOM 905 C VAL A 60 1.327 -1.916 -10.712 1.00 0.00 C ATOM 906 O VAL A 60 0.748 -2.933 -11.095 1.00 0.00 O ATOM 907 CB VAL A 60 1.750 -1.360 -8.300 1.00 0.00 C ATOM 908 CG1 VAL A 60 0.422 -2.016 -7.944 1.00 0.00 C ATOM 909 CG2 VAL A 60 2.727 -1.479 -7.144 1.00 0.00 C ATOM 0 H VAL A 60 3.797 -0.468 -9.440 1.00 0.00 H new ATOM 0 HA VAL A 60 2.594 -3.022 -9.375 1.00 0.00 H new ATOM 0 HB VAL A 60 1.564 -0.303 -8.492 1.00 0.00 H new ATOM 0 HG11 VAL A 60 0.022 -1.560 -7.038 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -0.284 -1.876 -8.762 1.00 0.00 H new ATOM 0 HG13 VAL A 60 0.576 -3.082 -7.776 1.00 0.00 H new ATOM 0 HG21 VAL A 60 2.288 -1.037 -6.250 1.00 0.00 H new ATOM 0 HG22 VAL A 60 2.946 -2.531 -6.959 1.00 0.00 H new ATOM 0 HG23 VAL A 60 3.650 -0.955 -7.392 1.00 0.00 H new ATOM 919 N VAL A 61 1.133 -0.722 -11.261 1.00 0.00 N ATOM 920 CA VAL A 61 0.185 -0.520 -12.351 1.00 0.00 C ATOM 921 C VAL A 61 0.604 -1.305 -13.589 1.00 0.00 C ATOM 922 O VAL A 61 -0.223 -1.927 -14.257 1.00 0.00 O ATOM 923 CB VAL A 61 0.057 0.976 -12.712 1.00 0.00 C ATOM 924 CG1 VAL A 61 -0.867 1.167 -13.905 1.00 0.00 C ATOM 925 CG2 VAL A 61 -0.443 1.772 -11.514 1.00 0.00 C ATOM 0 H VAL A 61 1.622 0.124 -10.968 1.00 0.00 H new ATOM 0 HA VAL A 61 -0.784 -0.883 -12.008 1.00 0.00 H new ATOM 0 HB VAL A 61 1.045 1.347 -12.985 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -0.942 2.229 -14.141 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -0.466 0.631 -14.765 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -1.857 0.778 -13.665 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -0.527 2.824 -11.786 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -1.420 1.396 -11.210 1.00 0.00 H new ATOM 0 HG23 VAL A 61 0.260 1.666 -10.688 1.00 0.00 H new ATOM 935 N GLU A 62 1.895 -1.283 -13.877 1.00 0.00 N ATOM 936 CA GLU A 62 2.445 -1.984 -15.026 1.00 0.00 C ATOM 937 C GLU A 62 2.204 -3.484 -14.886 1.00 0.00 C ATOM 938 O GLU A 62 1.755 -4.142 -15.823 1.00 0.00 O ATOM 939 CB GLU A 62 3.940 -1.680 -15.137 1.00 0.00 C ATOM 940 CG GLU A 62 4.572 -2.088 -16.453 1.00 0.00 C ATOM 941 CD GLU A 62 5.951 -1.483 -16.624 1.00 0.00 C ATOM 942 OE1 GLU A 62 6.044 -0.335 -17.111 1.00 0.00 O ATOM 943 OE2 GLU A 62 6.949 -2.133 -16.253 1.00 0.00 O ATOM 0 H GLU A 62 2.589 -0.781 -13.323 1.00 0.00 H new ATOM 0 HA GLU A 62 1.949 -1.644 -15.935 1.00 0.00 H new ATOM 0 HB2 GLU A 62 4.091 -0.610 -14.993 1.00 0.00 H new ATOM 0 HB3 GLU A 62 4.462 -2.188 -14.326 1.00 0.00 H new ATOM 0 HG2 GLU A 62 4.643 -3.175 -16.501 1.00 0.00 H new ATOM 0 HG3 GLU A 62 3.932 -1.773 -17.277 1.00 0.00 H new ATOM 950 N HIS A 63 2.466 -4.005 -13.691 1.00 0.00 N ATOM 951 CA HIS A 63 2.262 -5.419 -13.403 1.00 0.00 C ATOM 952 C HIS A 63 0.779 -5.767 -13.464 1.00 0.00 C ATOM 953 O HIS A 63 0.396 -6.849 -13.915 1.00 0.00 O ATOM 954 CB HIS A 63 2.829 -5.758 -12.023 1.00 0.00 C ATOM 955 CG HIS A 63 3.024 -7.225 -11.787 1.00 0.00 C ATOM 956 ND1 HIS A 63 3.594 -8.068 -12.714 1.00 0.00 N ATOM 957 CD2 HIS A 63 2.742 -7.994 -10.710 1.00 0.00 C ATOM 958 CE1 HIS A 63 3.658 -9.288 -12.217 1.00 0.00 C ATOM 959 NE2 HIS A 63 3.150 -9.274 -11.000 1.00 0.00 N ATOM 0 H HIS A 63 2.822 -3.464 -12.903 1.00 0.00 H new ATOM 0 HA HIS A 63 2.786 -6.009 -14.156 1.00 0.00 H new ATOM 0 HB2 HIS A 63 3.786 -5.250 -11.900 1.00 0.00 H new ATOM 0 HB3 HIS A 63 2.159 -5.364 -11.259 1.00 0.00 H new ATOM 0 HD1 HIS A 63 3.917 -7.792 -13.641 1.00 0.00 H new ATOM 0 HD2 HIS A 63 2.281 -7.663 -9.791 1.00 0.00 H new ATOM 0 HE1 HIS A 63 4.059 -10.154 -12.722 1.00 0.00 H new ATOM 968 N ALA A 64 -0.053 -4.839 -13.009 1.00 0.00 N ATOM 969 CA ALA A 64 -1.495 -5.005 -13.078 1.00 0.00 C ATOM 970 C ALA A 64 -1.952 -5.054 -14.529 1.00 0.00 C ATOM 971 O ALA A 64 -2.765 -5.896 -14.903 1.00 0.00 O ATOM 972 CB ALA A 64 -2.196 -3.878 -12.338 1.00 0.00 C ATOM 0 H ALA A 64 0.250 -3.961 -12.587 1.00 0.00 H new ATOM 0 HA ALA A 64 -1.759 -5.948 -12.599 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -3.275 -4.018 -12.400 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -1.889 -3.883 -11.292 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -1.928 -2.923 -12.790 1.00 0.00 H new ATOM 978 N ARG A 65 -1.398 -4.163 -15.342 1.00 0.00 N ATOM 979 CA ARG A 65 -1.741 -4.086 -16.757 1.00 0.00 C ATOM 980 C ARG A 65 -1.358 -5.376 -17.478 1.00 0.00 C ATOM 981 O ARG A 65 -2.062 -5.821 -18.385 1.00 0.00 O ATOM 982 CB ARG A 65 -1.043 -2.887 -17.402 1.00 0.00 C ATOM 983 CG ARG A 65 -1.534 -2.567 -18.804 1.00 0.00 C ATOM 984 CD ARG A 65 -0.926 -1.273 -19.319 1.00 0.00 C ATOM 985 NE ARG A 65 -1.541 -0.836 -20.568 1.00 0.00 N ATOM 986 CZ ARG A 65 -2.514 0.071 -20.632 1.00 0.00 C ATOM 987 NH1 ARG A 65 -2.957 0.654 -19.523 1.00 0.00 N ATOM 988 NH2 ARG A 65 -3.028 0.418 -21.804 1.00 0.00 N ATOM 0 H ARG A 65 -0.704 -3.478 -15.043 1.00 0.00 H new ATOM 0 HA ARG A 65 -2.820 -3.955 -16.845 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -1.188 -2.012 -16.769 1.00 0.00 H new ATOM 0 HB3 ARG A 65 0.029 -3.080 -17.439 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -1.278 -3.385 -19.477 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -2.621 -2.485 -18.801 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -1.042 -0.494 -18.566 1.00 0.00 H new ATOM 0 HD3 ARG A 65 0.144 -1.411 -19.472 1.00 0.00 H new ATOM 0 HE ARG A 65 -1.207 -1.248 -21.440 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -2.552 0.407 -18.620 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -3.702 1.348 -19.575 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -2.678 -0.010 -22.661 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -3.773 1.113 -21.848 1.00 0.00 H new ATOM 1002 N GLU A 66 -0.242 -5.976 -17.068 1.00 0.00 N ATOM 1003 CA GLU A 66 0.194 -7.254 -17.629 1.00 0.00 C ATOM 1004 C GLU A 66 -0.861 -8.329 -17.390 1.00 0.00 C ATOM 1005 O GLU A 66 -1.205 -9.095 -18.291 1.00 0.00 O ATOM 1006 CB GLU A 66 1.511 -7.716 -16.989 1.00 0.00 C ATOM 1007 CG GLU A 66 2.676 -6.761 -17.171 1.00 0.00 C ATOM 1008 CD GLU A 66 3.939 -7.254 -16.489 1.00 0.00 C ATOM 1009 OE1 GLU A 66 3.980 -7.282 -15.239 1.00 0.00 O ATOM 1010 OE2 GLU A 66 4.894 -7.635 -17.198 1.00 0.00 O ATOM 0 H GLU A 66 0.376 -5.598 -16.350 1.00 0.00 H new ATOM 0 HA GLU A 66 0.342 -7.107 -18.699 1.00 0.00 H new ATOM 0 HB2 GLU A 66 1.347 -7.867 -15.922 1.00 0.00 H new ATOM 0 HB3 GLU A 66 1.783 -8.684 -17.410 1.00 0.00 H new ATOM 0 HG2 GLU A 66 2.870 -6.627 -18.235 1.00 0.00 H new ATOM 0 HG3 GLU A 66 2.407 -5.784 -16.770 1.00 0.00 H new ATOM 1017 N ASN A 67 -1.385 -8.358 -16.171 1.00 0.00 N ATOM 1018 CA ASN A 67 -2.226 -9.462 -15.719 1.00 0.00 C ATOM 1019 C ASN A 67 -3.711 -9.106 -15.736 1.00 0.00 C ATOM 1020 O ASN A 67 -4.529 -9.818 -15.147 1.00 0.00 O ATOM 1021 CB ASN A 67 -1.799 -9.891 -14.311 1.00 0.00 C ATOM 1022 CG ASN A 67 -0.399 -10.478 -14.286 1.00 0.00 C ATOM 1023 OD1 ASN A 67 -0.216 -11.689 -14.391 1.00 0.00 O ATOM 1024 ND2 ASN A 67 0.605 -9.625 -14.149 1.00 0.00 N ATOM 0 H ASN A 67 -1.242 -7.627 -15.474 1.00 0.00 H new ATOM 0 HA ASN A 67 -2.089 -10.289 -16.416 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -1.842 -9.031 -13.643 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -2.506 -10.627 -13.928 1.00 0.00 H new ATOM 0 HD21 ASN A 67 1.566 -9.967 -14.128 1.00 0.00 H new ATOM 0 HD22 ASN A 67 0.417 -8.626 -14.064 1.00 0.00 H new ATOM 1031 N ASN A 68 -4.053 -8.009 -16.417 1.00 0.00 N ATOM 1032 CA ASN A 68 -5.452 -7.587 -16.576 1.00 0.00 C ATOM 1033 C ASN A 68 -6.094 -7.270 -15.230 1.00 0.00 C ATOM 1034 O ASN A 68 -7.307 -7.387 -15.063 1.00 0.00 O ATOM 1035 CB ASN A 68 -6.260 -8.672 -17.294 1.00 0.00 C ATOM 1036 CG ASN A 68 -5.863 -8.824 -18.749 1.00 0.00 C ATOM 1037 OD1 ASN A 68 -4.906 -9.528 -19.073 1.00 0.00 O ATOM 1038 ND2 ASN A 68 -6.601 -8.173 -19.638 1.00 0.00 N ATOM 0 H ASN A 68 -3.378 -7.393 -16.870 1.00 0.00 H new ATOM 0 HA ASN A 68 -5.456 -6.679 -17.178 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -6.120 -9.624 -16.781 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -7.321 -8.430 -17.234 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -6.384 -8.245 -20.632 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -7.386 -7.600 -19.328 1.00 0.00 H new ATOM 1045 N LEU A 69 -5.278 -6.833 -14.284 1.00 0.00 N ATOM 1046 CA LEU A 69 -5.752 -6.557 -12.939 1.00 0.00 C ATOM 1047 C LEU A 69 -6.471 -5.213 -12.881 1.00 0.00 C ATOM 1048 O LEU A 69 -6.249 -4.336 -13.718 1.00 0.00 O ATOM 1049 CB LEU A 69 -4.585 -6.571 -11.946 1.00 0.00 C ATOM 1050 CG LEU A 69 -3.797 -7.883 -11.878 1.00 0.00 C ATOM 1051 CD1 LEU A 69 -2.674 -7.776 -10.860 1.00 0.00 C ATOM 1052 CD2 LEU A 69 -4.714 -9.045 -11.534 1.00 0.00 C ATOM 0 H LEU A 69 -4.282 -6.662 -14.424 1.00 0.00 H new ATOM 0 HA LEU A 69 -6.459 -7.339 -12.664 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -3.897 -5.767 -12.208 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -4.973 -6.348 -10.952 1.00 0.00 H new ATOM 0 HG LEU A 69 -3.361 -8.070 -12.859 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -2.124 -8.717 -10.824 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -1.998 -6.971 -11.148 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -3.093 -7.563 -9.877 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -4.133 -9.966 -11.491 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -5.182 -8.865 -10.566 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -5.486 -9.138 -12.298 1.00 0.00 H new ATOM 1064 N LYS A 70 -7.342 -5.070 -11.896 1.00 0.00 N ATOM 1065 CA LYS A 70 -8.076 -3.833 -11.682 1.00 0.00 C ATOM 1066 C LYS A 70 -7.538 -3.137 -10.447 1.00 0.00 C ATOM 1067 O LYS A 70 -7.264 -3.779 -9.434 1.00 0.00 O ATOM 1068 CB LYS A 70 -9.580 -4.103 -11.537 1.00 0.00 C ATOM 1069 CG LYS A 70 -10.304 -4.282 -12.866 1.00 0.00 C ATOM 1070 CD LYS A 70 -9.811 -5.497 -13.634 1.00 0.00 C ATOM 1071 CE LYS A 70 -10.250 -5.451 -15.087 1.00 0.00 C ATOM 1072 NZ LYS A 70 -9.736 -4.239 -15.787 1.00 0.00 N ATOM 0 H LYS A 70 -7.560 -5.805 -11.224 1.00 0.00 H new ATOM 0 HA LYS A 70 -7.939 -3.187 -12.549 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -9.722 -4.999 -10.933 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -10.037 -3.276 -10.993 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -11.374 -4.380 -12.684 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -10.165 -3.389 -13.476 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -8.723 -5.545 -13.583 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -10.192 -6.404 -13.166 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -9.896 -6.344 -15.601 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -11.339 -5.465 -15.138 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -9.676 -4.427 -16.808 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -10.382 -3.441 -15.619 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -8.791 -4.002 -15.422 1.00 0.00 H new ATOM 1086 N ILE A 71 -7.377 -1.829 -10.532 1.00 0.00 N ATOM 1087 CA ILE A 71 -6.720 -1.084 -9.472 1.00 0.00 C ATOM 1088 C ILE A 71 -7.696 -0.182 -8.733 1.00 0.00 C ATOM 1089 O ILE A 71 -8.377 0.650 -9.337 1.00 0.00 O ATOM 1090 CB ILE A 71 -5.561 -0.228 -10.026 1.00 0.00 C ATOM 1091 CG1 ILE A 71 -4.570 -1.111 -10.788 1.00 0.00 C ATOM 1092 CG2 ILE A 71 -4.854 0.515 -8.897 1.00 0.00 C ATOM 1093 CD1 ILE A 71 -3.436 -0.341 -11.426 1.00 0.00 C ATOM 0 H ILE A 71 -7.690 -1.262 -11.320 1.00 0.00 H new ATOM 0 HA ILE A 71 -6.322 -1.820 -8.773 1.00 0.00 H new ATOM 0 HB ILE A 71 -5.973 0.510 -10.714 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -4.155 -1.851 -10.103 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -5.106 -1.659 -11.563 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -4.040 1.113 -9.308 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -5.564 1.169 -8.391 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -4.451 -0.205 -8.184 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -2.775 -1.033 -11.948 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -3.840 0.380 -12.136 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -2.874 0.185 -10.654 1.00 0.00 H new ATOM 1105 N ILE A 72 -7.767 -0.372 -7.426 1.00 0.00 N ATOM 1106 CA ILE A 72 -8.509 0.525 -6.554 1.00 0.00 C ATOM 1107 C ILE A 72 -7.585 1.019 -5.448 1.00 0.00 C ATOM 1108 O ILE A 72 -6.805 0.248 -4.893 1.00 0.00 O ATOM 1109 CB ILE A 72 -9.761 -0.147 -5.939 1.00 0.00 C ATOM 1110 CG1 ILE A 72 -9.395 -1.475 -5.265 1.00 0.00 C ATOM 1111 CG2 ILE A 72 -10.829 -0.362 -7.004 1.00 0.00 C ATOM 1112 CD1 ILE A 72 -10.555 -2.141 -4.560 1.00 0.00 C ATOM 0 H ILE A 72 -7.315 -1.147 -6.941 1.00 0.00 H new ATOM 0 HA ILE A 72 -8.864 1.361 -7.157 1.00 0.00 H new ATOM 0 HB ILE A 72 -10.163 0.519 -5.176 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -8.999 -2.157 -6.018 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -8.597 -1.298 -4.544 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -11.702 -0.835 -6.554 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -11.117 0.599 -7.430 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -10.434 -1.004 -7.791 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -10.219 -3.074 -4.108 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -10.937 -1.479 -3.783 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -11.346 -2.351 -5.280 1.00 0.00 H new ATOM 1124 N ALA A 73 -7.652 2.302 -5.142 1.00 0.00 N ATOM 1125 CA ALA A 73 -6.726 2.893 -4.190 1.00 0.00 C ATOM 1126 C ALA A 73 -7.450 3.791 -3.204 1.00 0.00 C ATOM 1127 O ALA A 73 -8.155 4.720 -3.600 1.00 0.00 O ATOM 1128 CB ALA A 73 -5.638 3.675 -4.919 1.00 0.00 C ATOM 0 H ALA A 73 -8.333 2.952 -5.535 1.00 0.00 H new ATOM 0 HA ALA A 73 -6.261 2.083 -3.629 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -4.953 4.111 -4.191 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -5.088 3.004 -5.578 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -6.094 4.470 -5.509 1.00 0.00 H new ATOM 1134 N SER A 74 -7.284 3.503 -1.923 1.00 0.00 N ATOM 1135 CA SER A 74 -7.859 4.325 -0.873 1.00 0.00 C ATOM 1136 C SER A 74 -6.906 5.457 -0.507 1.00 0.00 C ATOM 1137 O SER A 74 -7.316 6.491 0.023 1.00 0.00 O ATOM 1138 CB SER A 74 -8.177 3.461 0.346 1.00 0.00 C ATOM 1139 OG SER A 74 -7.152 2.510 0.572 1.00 0.00 O ATOM 0 H SER A 74 -6.752 2.701 -1.585 1.00 0.00 H new ATOM 0 HA SER A 74 -8.787 4.769 -1.233 1.00 0.00 H new ATOM 0 HB2 SER A 74 -8.292 4.094 1.226 1.00 0.00 H new ATOM 0 HB3 SER A 74 -9.127 2.949 0.196 1.00 0.00 H new ATOM 0 HG SER A 74 -7.375 1.969 1.358 1.00 0.00 H new ATOM 1145 N CYS A 75 -5.629 5.251 -0.806 1.00 0.00 N ATOM 1146 CA CYS A 75 -4.617 6.277 -0.615 1.00 0.00 C ATOM 1147 C CYS A 75 -4.854 7.425 -1.593 1.00 0.00 C ATOM 1148 O CYS A 75 -4.651 7.273 -2.797 1.00 0.00 O ATOM 1149 CB CYS A 75 -3.221 5.679 -0.820 1.00 0.00 C ATOM 1150 SG CYS A 75 -1.859 6.845 -0.582 1.00 0.00 S ATOM 0 H CYS A 75 -5.270 4.375 -1.185 1.00 0.00 H new ATOM 0 HA CYS A 75 -4.684 6.663 0.402 1.00 0.00 H new ATOM 0 HB2 CYS A 75 -3.093 4.845 -0.130 1.00 0.00 H new ATOM 0 HB3 CYS A 75 -3.160 5.270 -1.829 1.00 0.00 H new ATOM 0 HG CYS A 75 -0.791 6.391 -1.168 1.00 0.00 H new ATOM 1156 N SER A 76 -5.297 8.563 -1.068 1.00 0.00 N ATOM 1157 CA SER A 76 -5.631 9.723 -1.889 1.00 0.00 C ATOM 1158 C SER A 76 -4.436 10.187 -2.724 1.00 0.00 C ATOM 1159 O SER A 76 -4.601 10.620 -3.864 1.00 0.00 O ATOM 1160 CB SER A 76 -6.129 10.861 -0.995 1.00 0.00 C ATOM 1161 OG SER A 76 -7.194 10.418 -0.168 1.00 0.00 O ATOM 0 H SER A 76 -5.434 8.707 -0.068 1.00 0.00 H new ATOM 0 HA SER A 76 -6.421 9.432 -2.582 1.00 0.00 H new ATOM 0 HB2 SER A 76 -5.311 11.230 -0.377 1.00 0.00 H new ATOM 0 HB3 SER A 76 -6.463 11.695 -1.612 1.00 0.00 H new ATOM 0 HG SER A 76 -7.498 11.158 0.398 1.00 0.00 H new ATOM 1167 N PHE A 77 -3.237 10.080 -2.154 1.00 0.00 N ATOM 1168 CA PHE A 77 -2.013 10.468 -2.848 1.00 0.00 C ATOM 1169 C PHE A 77 -1.854 9.684 -4.151 1.00 0.00 C ATOM 1170 O PHE A 77 -1.761 10.265 -5.232 1.00 0.00 O ATOM 1171 CB PHE A 77 -0.800 10.238 -1.938 1.00 0.00 C ATOM 1172 CG PHE A 77 0.515 10.610 -2.561 1.00 0.00 C ATOM 1173 CD1 PHE A 77 0.844 11.938 -2.771 1.00 0.00 C ATOM 1174 CD2 PHE A 77 1.425 9.632 -2.928 1.00 0.00 C ATOM 1175 CE1 PHE A 77 2.056 12.285 -3.336 1.00 0.00 C ATOM 1176 CE2 PHE A 77 2.638 9.973 -3.493 1.00 0.00 C ATOM 1177 CZ PHE A 77 2.954 11.301 -3.698 1.00 0.00 C ATOM 0 H PHE A 77 -3.088 9.726 -1.209 1.00 0.00 H new ATOM 0 HA PHE A 77 -2.077 11.528 -3.095 1.00 0.00 H new ATOM 0 HB2 PHE A 77 -0.932 10.815 -1.023 1.00 0.00 H new ATOM 0 HB3 PHE A 77 -0.769 9.187 -1.651 1.00 0.00 H new ATOM 0 HD1 PHE A 77 0.145 12.712 -2.490 1.00 0.00 H new ATOM 0 HD2 PHE A 77 1.183 8.591 -2.770 1.00 0.00 H new ATOM 0 HE1 PHE A 77 2.301 13.325 -3.494 1.00 0.00 H new ATOM 0 HE2 PHE A 77 3.339 9.201 -3.774 1.00 0.00 H new ATOM 0 HZ PHE A 77 3.902 11.570 -4.141 1.00 0.00 H new ATOM 1187 N ALA A 78 -1.843 8.360 -4.040 1.00 0.00 N ATOM 1188 CA ALA A 78 -1.698 7.494 -5.203 1.00 0.00 C ATOM 1189 C ALA A 78 -2.923 7.583 -6.105 1.00 0.00 C ATOM 1190 O ALA A 78 -2.807 7.601 -7.332 1.00 0.00 O ATOM 1191 CB ALA A 78 -1.465 6.057 -4.765 1.00 0.00 C ATOM 0 H ALA A 78 -1.933 7.863 -3.154 1.00 0.00 H new ATOM 0 HA ALA A 78 -0.833 7.832 -5.773 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -1.359 5.421 -5.644 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -0.556 6.002 -4.165 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -2.313 5.716 -4.171 1.00 0.00 H new ATOM 1197 N LYS A 79 -4.094 7.656 -5.481 1.00 0.00 N ATOM 1198 CA LYS A 79 -5.358 7.718 -6.203 1.00 0.00 C ATOM 1199 C LYS A 79 -5.393 8.919 -7.145 1.00 0.00 C ATOM 1200 O LYS A 79 -5.769 8.790 -8.306 1.00 0.00 O ATOM 1201 CB LYS A 79 -6.527 7.778 -5.205 1.00 0.00 C ATOM 1202 CG LYS A 79 -7.912 7.701 -5.843 1.00 0.00 C ATOM 1203 CD LYS A 79 -8.424 9.067 -6.291 1.00 0.00 C ATOM 1204 CE LYS A 79 -8.799 9.943 -5.108 1.00 0.00 C ATOM 1205 NZ LYS A 79 -9.974 9.410 -4.372 1.00 0.00 N ATOM 0 H LYS A 79 -4.193 7.674 -4.466 1.00 0.00 H new ATOM 0 HA LYS A 79 -5.455 6.818 -6.809 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -6.423 6.958 -4.494 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -6.455 8.705 -4.636 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -7.877 7.030 -6.701 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -8.614 7.269 -5.130 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -7.658 9.566 -6.885 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -9.292 8.936 -6.937 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -7.950 10.019 -4.429 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -9.018 10.952 -5.459 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -10.363 10.152 -3.756 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -10.701 9.107 -5.051 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -9.681 8.597 -3.793 1.00 0.00 H new ATOM 1219 N HIS A 80 -4.972 10.075 -6.650 1.00 0.00 N ATOM 1220 CA HIS A 80 -5.064 11.308 -7.421 1.00 0.00 C ATOM 1221 C HIS A 80 -4.026 11.334 -8.547 1.00 0.00 C ATOM 1222 O HIS A 80 -4.147 12.111 -9.491 1.00 0.00 O ATOM 1223 CB HIS A 80 -4.899 12.522 -6.501 1.00 0.00 C ATOM 1224 CG HIS A 80 -5.252 13.828 -7.146 1.00 0.00 C ATOM 1225 ND1 HIS A 80 -6.441 14.045 -7.808 1.00 0.00 N ATOM 1226 CD2 HIS A 80 -4.565 14.991 -7.224 1.00 0.00 C ATOM 1227 CE1 HIS A 80 -6.469 15.282 -8.263 1.00 0.00 C ATOM 1228 NE2 HIS A 80 -5.343 15.881 -7.922 1.00 0.00 N ATOM 0 H HIS A 80 -4.565 10.185 -5.721 1.00 0.00 H new ATOM 0 HA HIS A 80 -6.052 11.351 -7.880 1.00 0.00 H new ATOM 0 HB2 HIS A 80 -5.524 12.384 -5.619 1.00 0.00 H new ATOM 0 HB3 HIS A 80 -3.866 12.566 -6.156 1.00 0.00 H new ATOM 0 HD1 HIS A 80 -7.184 13.356 -7.927 1.00 0.00 H new ATOM 0 HD2 HIS A 80 -3.585 15.184 -6.813 1.00 0.00 H new ATOM 0 HE1 HIS A 80 -7.278 15.730 -8.821 1.00 0.00 H new ATOM 1237 N MET A 81 -3.012 10.482 -8.449 1.00 0.00 N ATOM 1238 CA MET A 81 -2.024 10.363 -9.517 1.00 0.00 C ATOM 1239 C MET A 81 -2.552 9.462 -10.627 1.00 0.00 C ATOM 1240 O MET A 81 -2.289 9.691 -11.807 1.00 0.00 O ATOM 1241 CB MET A 81 -0.688 9.831 -8.985 1.00 0.00 C ATOM 1242 CG MET A 81 0.062 10.830 -8.116 1.00 0.00 C ATOM 1243 SD MET A 81 1.705 10.256 -7.642 1.00 0.00 S ATOM 1244 CE MET A 81 1.298 8.808 -6.669 1.00 0.00 C ATOM 0 H MET A 81 -2.852 9.869 -7.650 1.00 0.00 H new ATOM 0 HA MET A 81 -1.847 11.359 -9.924 1.00 0.00 H new ATOM 0 HB2 MET A 81 -0.871 8.925 -8.407 1.00 0.00 H new ATOM 0 HB3 MET A 81 -0.057 9.549 -9.828 1.00 0.00 H new ATOM 0 HG2 MET A 81 0.154 11.774 -8.653 1.00 0.00 H new ATOM 0 HG3 MET A 81 -0.520 11.030 -7.217 1.00 0.00 H new ATOM 0 HE1 MET A 81 2.207 8.246 -6.456 1.00 0.00 H new ATOM 0 HE2 MET A 81 0.834 9.118 -5.732 1.00 0.00 H new ATOM 0 HE3 MET A 81 0.604 8.178 -7.226 1.00 0.00 H new ATOM 1254 N LEU A 82 -3.311 8.443 -10.238 1.00 0.00 N ATOM 1255 CA LEU A 82 -3.979 7.567 -11.196 1.00 0.00 C ATOM 1256 C LEU A 82 -5.123 8.320 -11.865 1.00 0.00 C ATOM 1257 O LEU A 82 -5.416 8.128 -13.042 1.00 0.00 O ATOM 1258 CB LEU A 82 -4.530 6.328 -10.486 1.00 0.00 C ATOM 1259 CG LEU A 82 -3.504 5.508 -9.703 1.00 0.00 C ATOM 1260 CD1 LEU A 82 -4.192 4.414 -8.904 1.00 0.00 C ATOM 1261 CD2 LEU A 82 -2.471 4.909 -10.639 1.00 0.00 C ATOM 0 H LEU A 82 -3.480 8.202 -9.261 1.00 0.00 H new ATOM 0 HA LEU A 82 -3.257 7.252 -11.949 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -5.317 6.643 -9.801 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -4.995 5.681 -11.230 1.00 0.00 H new ATOM 0 HG LEU A 82 -2.994 6.175 -9.008 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -3.446 3.841 -8.354 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -4.895 4.863 -8.202 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -4.730 3.752 -9.582 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -1.750 4.329 -10.062 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -2.967 4.258 -11.359 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -1.953 5.708 -11.169 1.00 0.00 H new ATOM 1273 N GLU A 83 -5.748 9.188 -11.081 1.00 0.00 N ATOM 1274 CA GLU A 83 -6.876 10.004 -11.519 1.00 0.00 C ATOM 1275 C GLU A 83 -6.435 11.088 -12.510 1.00 0.00 C ATOM 1276 O GLU A 83 -7.256 11.667 -13.225 1.00 0.00 O ATOM 1277 CB GLU A 83 -7.518 10.637 -10.276 1.00 0.00 C ATOM 1278 CG GLU A 83 -8.682 11.570 -10.552 1.00 0.00 C ATOM 1279 CD GLU A 83 -9.192 12.236 -9.292 1.00 0.00 C ATOM 1280 OE1 GLU A 83 -8.409 12.380 -8.324 1.00 0.00 O ATOM 1281 OE2 GLU A 83 -10.372 12.642 -9.263 1.00 0.00 O ATOM 0 H GLU A 83 -5.483 9.348 -10.109 1.00 0.00 H new ATOM 0 HA GLU A 83 -7.598 9.375 -12.040 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -7.862 9.839 -9.618 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -6.751 11.190 -9.733 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -8.372 12.334 -11.265 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -9.492 11.009 -11.018 1.00 0.00 H new ATOM 1288 N LYS A 84 -5.135 11.353 -12.555 1.00 0.00 N ATOM 1289 CA LYS A 84 -4.603 12.439 -13.371 1.00 0.00 C ATOM 1290 C LYS A 84 -4.641 12.109 -14.862 1.00 0.00 C ATOM 1291 O LYS A 84 -5.280 12.814 -15.646 1.00 0.00 O ATOM 1292 CB LYS A 84 -3.165 12.762 -12.957 1.00 0.00 C ATOM 1293 CG LYS A 84 -2.550 13.911 -13.742 1.00 0.00 C ATOM 1294 CD LYS A 84 -1.074 14.092 -13.421 1.00 0.00 C ATOM 1295 CE LYS A 84 -0.849 14.440 -11.958 1.00 0.00 C ATOM 1296 NZ LYS A 84 0.596 14.551 -11.629 1.00 0.00 N ATOM 0 H LYS A 84 -4.429 10.831 -12.036 1.00 0.00 H new ATOM 0 HA LYS A 84 -5.240 13.307 -13.202 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -3.148 13.008 -11.895 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -2.549 11.872 -13.088 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -2.669 13.726 -14.810 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -3.086 14.833 -13.516 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -0.535 13.176 -13.663 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -0.660 14.881 -14.049 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -1.347 15.382 -11.729 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -1.307 13.676 -11.329 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 0.706 14.789 -10.623 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 1.067 13.644 -11.823 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 1.028 15.297 -12.210 1.00 0.00 H new ATOM 1310 N GLU A 85 -3.963 11.039 -15.252 1.00 0.00 N ATOM 1311 CA GLU A 85 -3.769 10.745 -16.665 1.00 0.00 C ATOM 1312 C GLU A 85 -4.529 9.491 -17.094 1.00 0.00 C ATOM 1313 O GLU A 85 -4.646 8.525 -16.338 1.00 0.00 O ATOM 1314 CB GLU A 85 -2.274 10.603 -16.979 1.00 0.00 C ATOM 1315 CG GLU A 85 -1.564 9.540 -16.155 1.00 0.00 C ATOM 1316 CD GLU A 85 -0.081 9.458 -16.464 1.00 0.00 C ATOM 1317 OE1 GLU A 85 0.276 9.146 -17.617 1.00 0.00 O ATOM 1318 OE2 GLU A 85 0.738 9.693 -15.553 1.00 0.00 O ATOM 0 H GLU A 85 -3.540 10.364 -14.615 1.00 0.00 H new ATOM 0 HA GLU A 85 -4.173 11.582 -17.235 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -2.157 10.366 -18.036 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -1.786 11.563 -16.812 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -1.699 9.756 -15.095 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -2.025 8.571 -16.344 1.00 0.00 H new ATOM 1325 N ASP A 86 -5.019 9.510 -18.330 1.00 0.00 N ATOM 1326 CA ASP A 86 -5.824 8.414 -18.871 1.00 0.00 C ATOM 1327 C ASP A 86 -4.966 7.206 -19.229 1.00 0.00 C ATOM 1328 O ASP A 86 -5.486 6.159 -19.619 1.00 0.00 O ATOM 1329 CB ASP A 86 -6.610 8.873 -20.103 1.00 0.00 C ATOM 1330 CG ASP A 86 -7.795 9.749 -19.749 1.00 0.00 C ATOM 1331 OD1 ASP A 86 -7.591 10.957 -19.502 1.00 0.00 O ATOM 1332 OD2 ASP A 86 -8.933 9.236 -19.719 1.00 0.00 O ATOM 0 H ASP A 86 -4.872 10.279 -18.983 1.00 0.00 H new ATOM 0 HA ASP A 86 -6.523 8.115 -18.090 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -5.945 9.421 -20.770 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -6.961 7.999 -20.651 1.00 0.00 H new ATOM 1337 N SER A 87 -3.656 7.349 -19.091 1.00 0.00 N ATOM 1338 CA SER A 87 -2.734 6.238 -19.298 1.00 0.00 C ATOM 1339 C SER A 87 -3.001 5.136 -18.269 1.00 0.00 C ATOM 1340 O SER A 87 -2.696 3.964 -18.492 1.00 0.00 O ATOM 1341 CB SER A 87 -1.286 6.741 -19.193 1.00 0.00 C ATOM 1342 OG SER A 87 -0.345 5.704 -19.423 1.00 0.00 O ATOM 0 H SER A 87 -3.204 8.227 -18.835 1.00 0.00 H new ATOM 0 HA SER A 87 -2.887 5.821 -20.293 1.00 0.00 H new ATOM 0 HB2 SER A 87 -1.127 7.542 -19.915 1.00 0.00 H new ATOM 0 HB3 SER A 87 -1.121 7.167 -18.203 1.00 0.00 H new ATOM 0 HG SER A 87 0.563 6.064 -19.349 1.00 0.00 H new ATOM 1348 N TYR A 88 -3.601 5.530 -17.149 1.00 0.00 N ATOM 1349 CA TYR A 88 -3.901 4.607 -16.061 1.00 0.00 C ATOM 1350 C TYR A 88 -5.412 4.418 -15.925 1.00 0.00 C ATOM 1351 O TYR A 88 -5.885 3.780 -14.988 1.00 0.00 O ATOM 1352 CB TYR A 88 -3.328 5.145 -14.739 1.00 0.00 C ATOM 1353 CG TYR A 88 -1.814 5.260 -14.698 1.00 0.00 C ATOM 1354 CD1 TYR A 88 -1.123 6.040 -15.616 1.00 0.00 C ATOM 1355 CD2 TYR A 88 -1.076 4.595 -13.728 1.00 0.00 C ATOM 1356 CE1 TYR A 88 0.252 6.153 -15.571 1.00 0.00 C ATOM 1357 CE2 TYR A 88 0.302 4.702 -13.676 1.00 0.00 C ATOM 1358 CZ TYR A 88 0.961 5.481 -14.600 1.00 0.00 C ATOM 1359 OH TYR A 88 2.333 5.596 -14.551 1.00 0.00 O ATOM 0 H TYR A 88 -3.891 6.492 -16.972 1.00 0.00 H new ATOM 0 HA TYR A 88 -3.442 3.645 -16.288 1.00 0.00 H new ATOM 0 HB2 TYR A 88 -3.758 6.128 -14.547 1.00 0.00 H new ATOM 0 HB3 TYR A 88 -3.650 4.492 -13.928 1.00 0.00 H new ATOM 0 HD1 TYR A 88 -1.673 6.569 -16.381 1.00 0.00 H new ATOM 0 HD2 TYR A 88 -1.588 3.983 -13.000 1.00 0.00 H new ATOM 0 HE1 TYR A 88 0.770 6.766 -16.294 1.00 0.00 H new ATOM 0 HE2 TYR A 88 0.858 4.177 -12.914 1.00 0.00 H new ATOM 0 HH TYR A 88 2.680 5.061 -13.807 1.00 0.00 H new ATOM 1369 N GLN A 89 -6.156 4.942 -16.891 1.00 0.00 N ATOM 1370 CA GLN A 89 -7.614 5.015 -16.796 1.00 0.00 C ATOM 1371 C GLN A 89 -8.283 3.680 -17.129 1.00 0.00 C ATOM 1372 O GLN A 89 -9.439 3.448 -16.775 1.00 0.00 O ATOM 1373 CB GLN A 89 -8.126 6.122 -17.727 1.00 0.00 C ATOM 1374 CG GLN A 89 -9.640 6.303 -17.747 1.00 0.00 C ATOM 1375 CD GLN A 89 -10.220 6.736 -16.410 1.00 0.00 C ATOM 1376 OE1 GLN A 89 -9.711 6.387 -15.346 1.00 0.00 O ATOM 1377 NE2 GLN A 89 -11.298 7.501 -16.456 1.00 0.00 N ATOM 0 H GLN A 89 -5.774 5.326 -17.755 1.00 0.00 H new ATOM 0 HA GLN A 89 -7.876 5.248 -15.764 1.00 0.00 H new ATOM 0 HB2 GLN A 89 -7.667 7.065 -17.431 1.00 0.00 H new ATOM 0 HB3 GLN A 89 -7.788 5.908 -18.741 1.00 0.00 H new ATOM 0 HG2 GLN A 89 -9.899 7.045 -18.503 1.00 0.00 H new ATOM 0 HG3 GLN A 89 -10.106 5.365 -18.049 1.00 0.00 H new ATOM 0 HE21 GLN A 89 -11.693 7.771 -17.357 1.00 0.00 H new ATOM 0 HE22 GLN A 89 -11.734 7.821 -15.591 1.00 0.00 H new ATOM 1386 N ASP A 90 -7.571 2.796 -17.809 1.00 0.00 N ATOM 1387 CA ASP A 90 -8.149 1.510 -18.187 1.00 0.00 C ATOM 1388 C ASP A 90 -7.873 0.447 -17.131 1.00 0.00 C ATOM 1389 O ASP A 90 -8.542 -0.590 -17.091 1.00 0.00 O ATOM 1390 CB ASP A 90 -7.629 1.049 -19.547 1.00 0.00 C ATOM 1391 CG ASP A 90 -6.133 0.827 -19.568 1.00 0.00 C ATOM 1392 OD1 ASP A 90 -5.382 1.823 -19.684 1.00 0.00 O ATOM 1393 OD2 ASP A 90 -5.704 -0.339 -19.497 1.00 0.00 O ATOM 0 H ASP A 90 -6.606 2.938 -18.108 1.00 0.00 H new ATOM 0 HA ASP A 90 -9.228 1.649 -18.259 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -8.131 0.123 -19.826 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -7.890 1.793 -20.300 1.00 0.00 H new ATOM 1398 N VAL A 91 -6.901 0.709 -16.270 1.00 0.00 N ATOM 1399 CA VAL A 91 -6.551 -0.229 -15.212 1.00 0.00 C ATOM 1400 C VAL A 91 -7.134 0.213 -13.872 1.00 0.00 C ATOM 1401 O VAL A 91 -7.595 -0.612 -13.081 1.00 0.00 O ATOM 1402 CB VAL A 91 -5.021 -0.416 -15.091 1.00 0.00 C ATOM 1403 CG1 VAL A 91 -4.482 -1.179 -16.290 1.00 0.00 C ATOM 1404 CG2 VAL A 91 -4.317 0.926 -14.964 1.00 0.00 C ATOM 0 H VAL A 91 -6.341 1.561 -16.282 1.00 0.00 H new ATOM 0 HA VAL A 91 -6.986 -1.191 -15.484 1.00 0.00 H new ATOM 0 HB VAL A 91 -4.823 -0.994 -14.188 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -3.404 -1.302 -16.188 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -4.956 -2.159 -16.340 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -4.700 -0.624 -17.202 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -3.242 0.766 -14.880 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -4.526 1.532 -15.846 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -4.677 1.443 -14.075 1.00 0.00 H new ATOM 1414 N TYR A 92 -7.128 1.515 -13.626 1.00 0.00 N ATOM 1415 CA TYR A 92 -7.709 2.066 -12.412 1.00 0.00 C ATOM 1416 C TYR A 92 -9.185 2.373 -12.634 1.00 0.00 C ATOM 1417 O TYR A 92 -9.582 2.797 -13.717 1.00 0.00 O ATOM 1418 CB TYR A 92 -6.954 3.334 -11.980 1.00 0.00 C ATOM 1419 CG TYR A 92 -7.647 4.118 -10.884 1.00 0.00 C ATOM 1420 CD1 TYR A 92 -7.792 3.592 -9.606 1.00 0.00 C ATOM 1421 CD2 TYR A 92 -8.173 5.379 -11.137 1.00 0.00 C ATOM 1422 CE1 TYR A 92 -8.442 4.299 -8.613 1.00 0.00 C ATOM 1423 CE2 TYR A 92 -8.826 6.090 -10.149 1.00 0.00 C ATOM 1424 CZ TYR A 92 -8.958 5.546 -8.891 1.00 0.00 C ATOM 1425 OH TYR A 92 -9.616 6.247 -7.909 1.00 0.00 O ATOM 0 H TYR A 92 -6.726 2.211 -14.254 1.00 0.00 H new ATOM 0 HA TYR A 92 -7.620 1.328 -11.615 1.00 0.00 H new ATOM 0 HB2 TYR A 92 -5.958 3.053 -11.638 1.00 0.00 H new ATOM 0 HB3 TYR A 92 -6.823 3.980 -12.848 1.00 0.00 H new ATOM 0 HD1 TYR A 92 -7.390 2.614 -9.385 1.00 0.00 H new ATOM 0 HD2 TYR A 92 -8.070 5.810 -12.122 1.00 0.00 H new ATOM 0 HE1 TYR A 92 -8.545 3.877 -7.624 1.00 0.00 H new ATOM 0 HE2 TYR A 92 -9.231 7.068 -10.362 1.00 0.00 H new ATOM 0 HH TYR A 92 -9.917 7.108 -8.268 1.00 0.00 H new ATOM 1435 N LEU A 93 -9.996 2.136 -11.613 1.00 0.00 N ATOM 1436 CA LEU A 93 -11.416 2.447 -11.681 1.00 0.00 C ATOM 1437 C LEU A 93 -11.630 3.938 -11.439 1.00 0.00 C ATOM 1438 O LEU A 93 -11.941 4.363 -10.326 1.00 0.00 O ATOM 1439 CB LEU A 93 -12.212 1.619 -10.663 1.00 0.00 C ATOM 1440 CG LEU A 93 -12.368 0.126 -10.988 1.00 0.00 C ATOM 1441 CD1 LEU A 93 -11.030 -0.598 -10.956 1.00 0.00 C ATOM 1442 CD2 LEU A 93 -13.335 -0.528 -10.016 1.00 0.00 C ATOM 0 H LEU A 93 -9.695 1.729 -10.728 1.00 0.00 H new ATOM 0 HA LEU A 93 -11.779 2.190 -12.676 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -11.728 1.711 -9.691 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -13.206 2.056 -10.566 1.00 0.00 H new ATOM 0 HG LEU A 93 -12.767 0.050 -11.999 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -11.181 -1.652 -11.191 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -10.359 -0.155 -11.692 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -10.591 -0.507 -9.963 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -13.435 -1.586 -10.259 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -12.956 -0.424 -9.000 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -14.309 -0.045 -10.091 1.00 0.00 H new