USER MOD reduce.3.24.130724 H: found=0, std=0, add=679, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 676 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 79 THR OG1 : rot 157:sc= 0.672 USER MOD Set 1.2: A 84 HIS : no HD1:sc= -8.5! C(o=-7.8!,f=-13!) USER MOD Set 2.1: A 67 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 68 CYS SG : rot 154:sc= 0.0602 USER MOD Set 2.3: A 74 THR OG1 : rot 29:sc= 0.702 USER MOD Set 3.1: A 38 SER OG : rot -71:sc= -3.37! USER MOD Set 3.2: A 40 CYS SG : rot -115:sc= -1.91! USER MOD Set 3.3: A 42 SER OG : rot 180:sc= 0.0493 USER MOD Single : A 3 THR OG1 : rot 90:sc= 1.16 USER MOD Single : A 8 HIS : no HE2:sc= -17.7! C(o=-18!,f=-20!) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 GLN : amide:sc= -0.199 X(o=-0.2,f=-0.22) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 LYS NZ :NH3+ 150:sc= -0.0326 (180deg=-0.535) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 HIS : no HE2:sc= -0.9 K(o=-0.9,f=-2) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ 158:sc= -0.039 (180deg=-0.687) USER MOD Single : A 78 HIS : no HD1:sc= -0.303 X(o=-0.3,f=-0.015) USER MOD Single : A 80 GLN : amide:sc= -1.2 K(o=-1.2,f=0) USER MOD Single : A 83 TYR OH : rot 180:sc= 0 USER MOD Single : A 87 LYS NZ :NH3+ -105:sc= -2.4! (180deg=-5.08!) USER MOD Single : A 90 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 35 N THR A 3 -16.693 -2.112 0.179 1.00 0.00 N ATOM 36 CA THR A 3 -15.493 -1.952 1.050 1.00 0.00 C ATOM 37 C THR A 3 -14.348 -2.828 0.534 1.00 0.00 C ATOM 38 O THR A 3 -14.567 -3.849 -0.087 1.00 0.00 O ATOM 39 CB THR A 3 -15.943 -2.420 2.437 1.00 0.00 C ATOM 40 OG1 THR A 3 -16.293 -3.796 2.382 1.00 0.00 O ATOM 41 CG2 THR A 3 -17.153 -1.600 2.885 1.00 0.00 C ATOM 0 HA THR A 3 -15.127 -0.925 1.066 1.00 0.00 H new ATOM 0 HB THR A 3 -15.130 -2.282 3.149 1.00 0.00 H new ATOM 0 HG1 THR A 3 -15.501 -4.343 2.566 1.00 0.00 H new ATOM 0 HG21 THR A 3 -17.473 -1.933 3.872 1.00 0.00 H new ATOM 0 HG22 THR A 3 -16.882 -0.545 2.928 1.00 0.00 H new ATOM 0 HG23 THR A 3 -17.968 -1.736 2.174 1.00 0.00 H new ATOM 49 N ALA A 4 -13.125 -2.421 0.753 1.00 0.00 N ATOM 50 CA ALA A 4 -11.974 -3.214 0.236 1.00 0.00 C ATOM 51 C ALA A 4 -10.942 -3.446 1.345 1.00 0.00 C ATOM 52 O ALA A 4 -10.824 -2.661 2.266 1.00 0.00 O ATOM 53 CB ALA A 4 -11.376 -2.361 -0.879 1.00 0.00 C ATOM 0 H ALA A 4 -12.875 -1.576 1.266 1.00 0.00 H new ATOM 0 HA ALA A 4 -12.281 -4.198 -0.120 1.00 0.00 H new ATOM 0 HB1 ALA A 4 -10.520 -2.877 -1.313 1.00 0.00 H new ATOM 0 HB2 ALA A 4 -12.127 -2.192 -1.651 1.00 0.00 H new ATOM 0 HB3 ALA A 4 -11.053 -1.403 -0.471 1.00 0.00 H new ATOM 59 N ALA A 5 -10.163 -4.491 1.241 1.00 0.00 N ATOM 60 CA ALA A 5 -9.103 -4.735 2.267 1.00 0.00 C ATOM 61 C ALA A 5 -7.757 -4.222 1.752 1.00 0.00 C ATOM 62 O ALA A 5 -7.469 -4.314 0.579 1.00 0.00 O ATOM 63 CB ALA A 5 -9.067 -6.254 2.451 1.00 0.00 C ATOM 0 H ALA A 5 -10.213 -5.184 0.494 1.00 0.00 H new ATOM 0 HA ALA A 5 -9.305 -4.221 3.207 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -8.310 -6.513 3.192 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -10.042 -6.603 2.791 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -8.823 -6.730 1.501 1.00 0.00 H new ATOM 69 N ALA A 6 -6.996 -3.553 2.575 1.00 0.00 N ATOM 70 CA ALA A 6 -5.762 -2.903 2.043 1.00 0.00 C ATOM 71 C ALA A 6 -4.632 -2.870 3.083 1.00 0.00 C ATOM 72 O ALA A 6 -4.710 -2.166 4.070 1.00 0.00 O ATOM 73 CB ALA A 6 -6.199 -1.480 1.696 1.00 0.00 C ATOM 0 H ALA A 6 -7.169 -3.429 3.573 1.00 0.00 H new ATOM 0 HA ALA A 6 -5.363 -3.450 1.189 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -5.350 -0.926 1.295 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -6.994 -1.515 0.951 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -6.565 -0.983 2.594 1.00 0.00 H new ATOM 79 N LEU A 7 -3.499 -3.431 2.742 1.00 0.00 N ATOM 80 CA LEU A 7 -2.276 -3.205 3.570 1.00 0.00 C ATOM 81 C LEU A 7 -1.456 -2.068 2.949 1.00 0.00 C ATOM 82 O LEU A 7 -1.505 -1.851 1.757 1.00 0.00 O ATOM 83 CB LEU A 7 -1.495 -4.522 3.515 1.00 0.00 C ATOM 84 CG LEU A 7 -2.121 -5.548 4.468 1.00 0.00 C ATOM 85 CD1 LEU A 7 -3.648 -5.510 4.372 1.00 0.00 C ATOM 86 CD2 LEU A 7 -1.637 -6.946 4.089 1.00 0.00 C ATOM 0 H LEU A 7 -3.369 -4.033 1.929 1.00 0.00 H new ATOM 0 HA LEU A 7 -2.509 -2.927 4.598 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -1.496 -4.912 2.497 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -0.454 -4.348 3.789 1.00 0.00 H new ATOM 0 HG LEU A 7 -1.823 -5.305 5.488 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -4.074 -6.245 5.055 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -4.005 -4.516 4.640 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -3.954 -5.743 3.352 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -2.079 -7.679 4.763 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -1.935 -7.169 3.065 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -0.551 -6.989 4.168 1.00 0.00 H new ATOM 98 N HIS A 8 -0.779 -1.283 3.744 1.00 0.00 N ATOM 99 CA HIS A 8 -0.063 -0.105 3.165 1.00 0.00 C ATOM 100 C HIS A 8 1.343 0.036 3.755 1.00 0.00 C ATOM 101 O HIS A 8 1.515 0.094 4.956 1.00 0.00 O ATOM 102 CB HIS A 8 -0.915 1.110 3.541 1.00 0.00 C ATOM 103 CG HIS A 8 -2.309 0.939 3.004 1.00 0.00 C ATOM 104 ND1 HIS A 8 -2.788 1.686 1.939 1.00 0.00 N ATOM 105 CD2 HIS A 8 -3.341 0.115 3.378 1.00 0.00 C ATOM 106 CE1 HIS A 8 -4.056 1.301 1.712 1.00 0.00 C ATOM 107 NE2 HIS A 8 -4.444 0.345 2.561 1.00 0.00 N ATOM 0 H HIS A 8 -0.690 -1.401 4.753 1.00 0.00 H new ATOM 0 HA HIS A 8 0.061 -0.209 2.087 1.00 0.00 H new ATOM 0 HB2 HIS A 8 -0.944 1.224 4.625 1.00 0.00 H new ATOM 0 HB3 HIS A 8 -0.468 2.018 3.137 1.00 0.00 H new ATOM 0 HD1 HIS A 8 -2.272 2.398 1.422 1.00 0.00 H new ATOM 0 HD2 HIS A 8 -3.303 -0.603 4.184 1.00 0.00 H new ATOM 0 HE1 HIS A 8 -4.685 1.714 0.937 1.00 0.00 H new ATOM 115 N ILE A 9 2.306 0.320 2.921 1.00 0.00 N ATOM 116 CA ILE A 9 3.644 0.723 3.443 1.00 0.00 C ATOM 117 C ILE A 9 3.982 2.137 2.966 1.00 0.00 C ATOM 118 O ILE A 9 3.867 2.450 1.797 1.00 0.00 O ATOM 119 CB ILE A 9 4.637 -0.281 2.862 1.00 0.00 C ATOM 120 CG1 ILE A 9 4.280 -1.694 3.327 1.00 0.00 C ATOM 121 CG2 ILE A 9 6.049 0.080 3.331 1.00 0.00 C ATOM 122 CD1 ILE A 9 5.217 -2.703 2.656 1.00 0.00 C ATOM 0 H ILE A 9 2.225 0.291 1.905 1.00 0.00 H new ATOM 0 HA ILE A 9 3.671 0.727 4.533 1.00 0.00 H new ATOM 0 HB ILE A 9 4.595 -0.248 1.773 1.00 0.00 H new ATOM 0 HG12 ILE A 9 4.368 -1.765 4.411 1.00 0.00 H new ATOM 0 HG13 ILE A 9 3.244 -1.920 3.076 1.00 0.00 H new ATOM 0 HG21 ILE A 9 6.763 -0.634 2.919 1.00 0.00 H new ATOM 0 HG22 ILE A 9 6.301 1.084 2.988 1.00 0.00 H new ATOM 0 HG23 ILE A 9 6.090 0.047 4.420 1.00 0.00 H new ATOM 0 HD11 ILE A 9 4.964 -3.710 2.986 1.00 0.00 H new ATOM 0 HD12 ILE A 9 5.107 -2.638 1.574 1.00 0.00 H new ATOM 0 HD13 ILE A 9 6.248 -2.480 2.930 1.00 0.00 H new ATOM 134 N LEU A 10 4.378 2.993 3.864 1.00 0.00 N ATOM 135 CA LEU A 10 4.704 4.392 3.470 1.00 0.00 C ATOM 136 C LEU A 10 6.224 4.580 3.387 1.00 0.00 C ATOM 137 O LEU A 10 6.926 4.475 4.373 1.00 0.00 O ATOM 138 CB LEU A 10 4.119 5.266 4.583 1.00 0.00 C ATOM 139 CG LEU A 10 3.789 6.658 4.031 1.00 0.00 C ATOM 140 CD1 LEU A 10 3.541 7.625 5.192 1.00 0.00 C ATOM 141 CD2 LEU A 10 4.958 7.168 3.184 1.00 0.00 C ATOM 0 H LEU A 10 4.491 2.785 4.856 1.00 0.00 H new ATOM 0 HA LEU A 10 4.297 4.649 2.492 1.00 0.00 H new ATOM 0 HB2 LEU A 10 3.219 4.802 4.987 1.00 0.00 H new ATOM 0 HB3 LEU A 10 4.831 5.350 5.404 1.00 0.00 H new ATOM 0 HG LEU A 10 2.894 6.596 3.412 1.00 0.00 H new ATOM 0 HD11 LEU A 10 3.307 8.614 4.798 1.00 0.00 H new ATOM 0 HD12 LEU A 10 2.705 7.266 5.792 1.00 0.00 H new ATOM 0 HD13 LEU A 10 4.435 7.684 5.813 1.00 0.00 H new ATOM 0 HD21 LEU A 10 4.720 8.157 2.793 1.00 0.00 H new ATOM 0 HD22 LEU A 10 5.855 7.227 3.800 1.00 0.00 H new ATOM 0 HD23 LEU A 10 5.132 6.483 2.354 1.00 0.00 H new ATOM 153 N VAL A 11 6.727 4.902 2.228 1.00 0.00 N ATOM 154 CA VAL A 11 8.195 5.152 2.090 1.00 0.00 C ATOM 155 C VAL A 11 8.452 6.648 1.888 1.00 0.00 C ATOM 156 O VAL A 11 7.859 7.280 1.037 1.00 0.00 O ATOM 157 CB VAL A 11 8.644 4.370 0.849 1.00 0.00 C ATOM 158 CG1 VAL A 11 10.147 4.104 0.939 1.00 0.00 C ATOM 159 CG2 VAL A 11 7.899 3.034 0.767 1.00 0.00 C ATOM 0 H VAL A 11 6.188 5.004 1.368 1.00 0.00 H new ATOM 0 HA VAL A 11 8.741 4.838 2.979 1.00 0.00 H new ATOM 0 HB VAL A 11 8.421 4.957 -0.042 1.00 0.00 H new ATOM 0 HG11 VAL A 11 10.471 3.548 0.059 1.00 0.00 H new ATOM 0 HG12 VAL A 11 10.682 5.052 0.987 1.00 0.00 H new ATOM 0 HG13 VAL A 11 10.360 3.521 1.835 1.00 0.00 H new ATOM 0 HG21 VAL A 11 8.227 2.488 -0.118 1.00 0.00 H new ATOM 0 HG22 VAL A 11 8.113 2.443 1.657 1.00 0.00 H new ATOM 0 HG23 VAL A 11 6.827 3.219 0.703 1.00 0.00 H new ATOM 169 N LYS A 12 9.315 7.220 2.679 1.00 0.00 N ATOM 170 CA LYS A 12 9.591 8.681 2.553 1.00 0.00 C ATOM 171 C LYS A 12 10.349 8.968 1.255 1.00 0.00 C ATOM 172 O LYS A 12 10.143 9.981 0.615 1.00 0.00 O ATOM 173 CB LYS A 12 10.460 9.026 3.763 1.00 0.00 C ATOM 174 CG LYS A 12 9.697 8.705 5.049 1.00 0.00 C ATOM 175 CD LYS A 12 8.528 9.678 5.211 1.00 0.00 C ATOM 176 CE LYS A 12 7.669 9.240 6.398 1.00 0.00 C ATOM 177 NZ LYS A 12 6.590 10.263 6.491 1.00 0.00 N ATOM 0 H LYS A 12 9.842 6.740 3.408 1.00 0.00 H new ATOM 0 HA LYS A 12 8.675 9.271 2.524 1.00 0.00 H new ATOM 0 HB2 LYS A 12 11.391 8.459 3.729 1.00 0.00 H new ATOM 0 HB3 LYS A 12 10.729 10.082 3.741 1.00 0.00 H new ATOM 0 HG2 LYS A 12 9.328 7.680 5.018 1.00 0.00 H new ATOM 0 HG3 LYS A 12 10.365 8.778 5.907 1.00 0.00 H new ATOM 0 HD2 LYS A 12 8.901 10.690 5.371 1.00 0.00 H new ATOM 0 HD3 LYS A 12 7.928 9.699 4.301 1.00 0.00 H new ATOM 0 HE2 LYS A 12 7.256 8.244 6.240 1.00 0.00 H new ATOM 0 HE3 LYS A 12 8.255 9.200 7.316 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 5.959 10.030 7.284 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 7.013 11.200 6.648 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 6.044 10.274 5.606 1.00 0.00 H new ATOM 191 N GLU A 13 11.280 8.124 0.904 1.00 0.00 N ATOM 192 CA GLU A 13 12.116 8.394 -0.302 1.00 0.00 C ATOM 193 C GLU A 13 11.956 7.269 -1.328 1.00 0.00 C ATOM 194 O GLU A 13 11.817 6.112 -0.983 1.00 0.00 O ATOM 195 CB GLU A 13 13.552 8.459 0.219 1.00 0.00 C ATOM 196 CG GLU A 13 13.956 7.099 0.790 1.00 0.00 C ATOM 197 CD GLU A 13 15.362 7.196 1.387 1.00 0.00 C ATOM 198 OE1 GLU A 13 16.072 8.123 1.033 1.00 0.00 O ATOM 199 OE2 GLU A 13 15.703 6.344 2.190 1.00 0.00 O ATOM 0 H GLU A 13 11.499 7.259 1.399 1.00 0.00 H new ATOM 0 HA GLU A 13 11.826 9.315 -0.807 1.00 0.00 H new ATOM 0 HB2 GLU A 13 14.229 8.741 -0.587 1.00 0.00 H new ATOM 0 HB3 GLU A 13 13.635 9.226 0.989 1.00 0.00 H new ATOM 0 HG2 GLU A 13 13.245 6.788 1.555 1.00 0.00 H new ATOM 0 HG3 GLU A 13 13.933 6.342 0.006 1.00 0.00 H new ATOM 206 N GLU A 14 11.898 7.615 -2.585 1.00 0.00 N ATOM 207 CA GLU A 14 11.656 6.587 -3.638 1.00 0.00 C ATOM 208 C GLU A 14 12.759 5.526 -3.619 1.00 0.00 C ATOM 209 O GLU A 14 12.514 4.363 -3.869 1.00 0.00 O ATOM 210 CB GLU A 14 11.680 7.358 -4.958 1.00 0.00 C ATOM 211 CG GLU A 14 11.414 6.391 -6.115 1.00 0.00 C ATOM 212 CD GLU A 14 11.438 7.158 -7.440 1.00 0.00 C ATOM 213 OE1 GLU A 14 11.480 8.376 -7.396 1.00 0.00 O ATOM 214 OE2 GLU A 14 11.416 6.511 -8.474 1.00 0.00 O ATOM 0 H GLU A 14 12.008 8.569 -2.930 1.00 0.00 H new ATOM 0 HA GLU A 14 10.713 6.062 -3.486 1.00 0.00 H new ATOM 0 HB2 GLU A 14 10.926 8.145 -4.946 1.00 0.00 H new ATOM 0 HB3 GLU A 14 12.646 7.844 -5.091 1.00 0.00 H new ATOM 0 HG2 GLU A 14 12.168 5.604 -6.125 1.00 0.00 H new ATOM 0 HG3 GLU A 14 10.447 5.905 -5.982 1.00 0.00 H new ATOM 221 N LYS A 15 13.984 5.929 -3.422 1.00 0.00 N ATOM 222 CA LYS A 15 15.106 4.951 -3.505 1.00 0.00 C ATOM 223 C LYS A 15 14.824 3.744 -2.608 1.00 0.00 C ATOM 224 O LYS A 15 15.027 2.611 -2.998 1.00 0.00 O ATOM 225 CB LYS A 15 16.337 5.714 -3.013 1.00 0.00 C ATOM 226 CG LYS A 15 17.588 4.865 -3.245 1.00 0.00 C ATOM 227 CD LYS A 15 18.834 5.698 -2.935 1.00 0.00 C ATOM 228 CE LYS A 15 20.071 4.797 -2.974 1.00 0.00 C ATOM 229 NZ LYS A 15 21.215 5.705 -2.680 1.00 0.00 N ATOM 0 H LYS A 15 14.256 6.888 -3.208 1.00 0.00 H new ATOM 0 HA LYS A 15 15.245 4.567 -4.516 1.00 0.00 H new ATOM 0 HB2 LYS A 15 16.425 6.663 -3.542 1.00 0.00 H new ATOM 0 HB3 LYS A 15 16.234 5.948 -1.953 1.00 0.00 H new ATOM 0 HG2 LYS A 15 17.562 3.979 -2.610 1.00 0.00 H new ATOM 0 HG3 LYS A 15 17.618 4.517 -4.277 1.00 0.00 H new ATOM 0 HD2 LYS A 15 18.935 6.505 -3.661 1.00 0.00 H new ATOM 0 HD3 LYS A 15 18.740 6.162 -1.953 1.00 0.00 H new ATOM 0 HE2 LYS A 15 20.001 3.998 -2.236 1.00 0.00 H new ATOM 0 HE3 LYS A 15 20.184 4.322 -3.949 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 22.101 5.161 -2.689 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 21.260 6.452 -3.402 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 21.083 6.137 -1.743 1.00 0.00 H new ATOM 243 N LEU A 16 14.308 3.968 -1.429 1.00 0.00 N ATOM 244 CA LEU A 16 13.963 2.815 -0.547 1.00 0.00 C ATOM 245 C LEU A 16 12.796 2.028 -1.150 1.00 0.00 C ATOM 246 O LEU A 16 12.825 0.816 -1.228 1.00 0.00 O ATOM 247 CB LEU A 16 13.553 3.440 0.787 1.00 0.00 C ATOM 248 CG LEU A 16 13.331 2.330 1.816 1.00 0.00 C ATOM 249 CD1 LEU A 16 13.391 2.921 3.225 1.00 0.00 C ATOM 250 CD2 LEU A 16 11.963 1.685 1.589 1.00 0.00 C ATOM 0 H LEU A 16 14.112 4.891 -1.041 1.00 0.00 H new ATOM 0 HA LEU A 16 14.795 2.120 -0.430 1.00 0.00 H new ATOM 0 HB2 LEU A 16 14.327 4.125 1.134 1.00 0.00 H new ATOM 0 HB3 LEU A 16 12.642 4.025 0.663 1.00 0.00 H new ATOM 0 HG LEU A 16 14.109 1.574 1.706 1.00 0.00 H new ATOM 0 HD11 LEU A 16 13.233 2.130 3.958 1.00 0.00 H new ATOM 0 HD12 LEU A 16 14.368 3.376 3.387 1.00 0.00 H new ATOM 0 HD13 LEU A 16 12.615 3.678 3.335 1.00 0.00 H new ATOM 0 HD21 LEU A 16 11.807 0.895 2.323 1.00 0.00 H new ATOM 0 HD22 LEU A 16 11.183 2.439 1.696 1.00 0.00 H new ATOM 0 HD23 LEU A 16 11.923 1.261 0.586 1.00 0.00 H new ATOM 262 N ALA A 17 11.791 2.714 -1.626 1.00 0.00 N ATOM 263 CA ALA A 17 10.650 2.011 -2.282 1.00 0.00 C ATOM 264 C ALA A 17 11.152 1.216 -3.491 1.00 0.00 C ATOM 265 O ALA A 17 10.932 0.027 -3.598 1.00 0.00 O ATOM 266 CB ALA A 17 9.700 3.125 -2.717 1.00 0.00 C ATOM 0 H ALA A 17 11.711 3.730 -1.589 1.00 0.00 H new ATOM 0 HA ALA A 17 10.158 1.299 -1.619 1.00 0.00 H new ATOM 0 HB1 ALA A 17 8.831 2.690 -3.210 1.00 0.00 H new ATOM 0 HB2 ALA A 17 9.376 3.689 -1.842 1.00 0.00 H new ATOM 0 HB3 ALA A 17 10.214 3.792 -3.409 1.00 0.00 H new ATOM 272 N LEU A 18 11.971 1.821 -4.303 1.00 0.00 N ATOM 273 CA LEU A 18 12.655 1.053 -5.374 1.00 0.00 C ATOM 274 C LEU A 18 13.524 -0.035 -4.743 1.00 0.00 C ATOM 275 O LEU A 18 13.566 -1.158 -5.201 1.00 0.00 O ATOM 276 CB LEU A 18 13.499 2.094 -6.120 1.00 0.00 C ATOM 277 CG LEU A 18 14.611 1.395 -6.886 1.00 0.00 C ATOM 278 CD1 LEU A 18 14.008 0.392 -7.872 1.00 0.00 C ATOM 279 CD2 LEU A 18 15.436 2.433 -7.649 1.00 0.00 C ATOM 0 H LEU A 18 12.196 2.815 -4.270 1.00 0.00 H new ATOM 0 HA LEU A 18 11.967 0.547 -6.051 1.00 0.00 H new ATOM 0 HB2 LEU A 18 12.871 2.661 -6.807 1.00 0.00 H new ATOM 0 HB3 LEU A 18 13.923 2.807 -5.413 1.00 0.00 H new ATOM 0 HG LEU A 18 15.255 0.865 -6.184 1.00 0.00 H new ATOM 0 HD11 LEU A 18 14.808 -0.107 -8.419 1.00 0.00 H new ATOM 0 HD12 LEU A 18 13.425 -0.349 -7.326 1.00 0.00 H new ATOM 0 HD13 LEU A 18 13.361 0.917 -8.575 1.00 0.00 H new ATOM 0 HD21 LEU A 18 16.233 1.932 -8.198 1.00 0.00 H new ATOM 0 HD22 LEU A 18 14.793 2.966 -8.349 1.00 0.00 H new ATOM 0 HD23 LEU A 18 15.871 3.142 -6.944 1.00 0.00 H new ATOM 291 N ASP A 19 14.168 0.269 -3.656 1.00 0.00 N ATOM 292 CA ASP A 19 14.959 -0.780 -2.958 1.00 0.00 C ATOM 293 C ASP A 19 14.040 -1.911 -2.482 1.00 0.00 C ATOM 294 O ASP A 19 14.340 -3.076 -2.649 1.00 0.00 O ATOM 295 CB ASP A 19 15.598 -0.071 -1.765 1.00 0.00 C ATOM 296 CG ASP A 19 16.682 -0.968 -1.163 1.00 0.00 C ATOM 297 OD1 ASP A 19 16.743 -2.126 -1.541 1.00 0.00 O ATOM 298 OD2 ASP A 19 17.435 -0.480 -0.336 1.00 0.00 O ATOM 0 H ASP A 19 14.183 1.192 -3.221 1.00 0.00 H new ATOM 0 HA ASP A 19 15.706 -1.232 -3.610 1.00 0.00 H new ATOM 0 HB2 ASP A 19 16.030 0.879 -2.081 1.00 0.00 H new ATOM 0 HB3 ASP A 19 14.841 0.157 -1.015 1.00 0.00 H new ATOM 303 N LEU A 20 12.963 -1.580 -1.811 1.00 0.00 N ATOM 304 CA LEU A 20 12.091 -2.649 -1.242 1.00 0.00 C ATOM 305 C LEU A 20 11.360 -3.401 -2.353 1.00 0.00 C ATOM 306 O LEU A 20 11.220 -4.607 -2.304 1.00 0.00 O ATOM 307 CB LEU A 20 11.114 -1.944 -0.269 1.00 0.00 C ATOM 308 CG LEU A 20 9.870 -1.392 -0.991 1.00 0.00 C ATOM 309 CD1 LEU A 20 8.921 -2.528 -1.388 1.00 0.00 C ATOM 310 CD2 LEU A 20 9.122 -0.450 -0.055 1.00 0.00 C ATOM 0 H LEU A 20 12.654 -0.624 -1.635 1.00 0.00 H new ATOM 0 HA LEU A 20 12.673 -3.402 -0.710 1.00 0.00 H new ATOM 0 HB2 LEU A 20 10.802 -2.648 0.503 1.00 0.00 H new ATOM 0 HB3 LEU A 20 11.632 -1.128 0.235 1.00 0.00 H new ATOM 0 HG LEU A 20 10.199 -0.868 -1.888 1.00 0.00 H new ATOM 0 HD11 LEU A 20 8.050 -2.114 -1.896 1.00 0.00 H new ATOM 0 HD12 LEU A 20 9.438 -3.217 -2.056 1.00 0.00 H new ATOM 0 HD13 LEU A 20 8.599 -3.062 -0.494 1.00 0.00 H new ATOM 0 HD21 LEU A 20 8.241 -0.057 -0.562 1.00 0.00 H new ATOM 0 HD22 LEU A 20 8.814 -0.993 0.838 1.00 0.00 H new ATOM 0 HD23 LEU A 20 9.775 0.375 0.229 1.00 0.00 H new ATOM 322 N LEU A 21 10.776 -2.694 -3.280 1.00 0.00 N ATOM 323 CA LEU A 21 9.930 -3.378 -4.288 1.00 0.00 C ATOM 324 C LEU A 21 10.787 -4.387 -5.049 1.00 0.00 C ATOM 325 O LEU A 21 10.335 -5.457 -5.411 1.00 0.00 O ATOM 326 CB LEU A 21 9.337 -2.245 -5.160 1.00 0.00 C ATOM 327 CG LEU A 21 9.809 -2.273 -6.624 1.00 0.00 C ATOM 328 CD1 LEU A 21 11.321 -2.086 -6.683 1.00 0.00 C ATOM 329 CD2 LEU A 21 9.403 -3.586 -7.301 1.00 0.00 C ATOM 0 H LEU A 21 10.849 -1.682 -3.380 1.00 0.00 H new ATOM 0 HA LEU A 21 9.110 -3.961 -3.869 1.00 0.00 H new ATOM 0 HB2 LEU A 21 8.249 -2.314 -5.138 1.00 0.00 H new ATOM 0 HB3 LEU A 21 9.604 -1.284 -4.721 1.00 0.00 H new ATOM 0 HG LEU A 21 9.330 -1.455 -7.162 1.00 0.00 H new ATOM 0 HD11 LEU A 21 11.650 -2.107 -7.722 1.00 0.00 H new ATOM 0 HD12 LEU A 21 11.587 -1.127 -6.237 1.00 0.00 H new ATOM 0 HD13 LEU A 21 11.809 -2.890 -6.132 1.00 0.00 H new ATOM 0 HD21 LEU A 21 9.747 -3.584 -8.335 1.00 0.00 H new ATOM 0 HD22 LEU A 21 9.855 -4.424 -6.770 1.00 0.00 H new ATOM 0 HD23 LEU A 21 8.318 -3.686 -7.280 1.00 0.00 H new ATOM 341 N GLU A 22 12.050 -4.111 -5.168 1.00 0.00 N ATOM 342 CA GLU A 22 12.982 -5.113 -5.760 1.00 0.00 C ATOM 343 C GLU A 22 13.009 -6.381 -4.900 1.00 0.00 C ATOM 344 O GLU A 22 13.057 -7.486 -5.405 1.00 0.00 O ATOM 345 CB GLU A 22 14.350 -4.428 -5.749 1.00 0.00 C ATOM 346 CG GLU A 22 15.362 -5.288 -6.508 1.00 0.00 C ATOM 347 CD GLU A 22 16.667 -4.506 -6.673 1.00 0.00 C ATOM 348 OE1 GLU A 22 16.696 -3.350 -6.282 1.00 0.00 O ATOM 349 OE2 GLU A 22 17.615 -5.077 -7.187 1.00 0.00 O ATOM 0 H GLU A 22 12.483 -3.233 -4.881 1.00 0.00 H new ATOM 0 HA GLU A 22 12.684 -5.417 -6.764 1.00 0.00 H new ATOM 0 HB2 GLU A 22 14.278 -3.442 -6.209 1.00 0.00 H new ATOM 0 HB3 GLU A 22 14.684 -4.277 -4.722 1.00 0.00 H new ATOM 0 HG2 GLU A 22 15.547 -6.216 -5.967 1.00 0.00 H new ATOM 0 HG3 GLU A 22 14.963 -5.563 -7.485 1.00 0.00 H new ATOM 356 N GLN A 23 13.048 -6.225 -3.603 1.00 0.00 N ATOM 357 CA GLN A 23 13.154 -7.413 -2.706 1.00 0.00 C ATOM 358 C GLN A 23 11.915 -8.300 -2.840 1.00 0.00 C ATOM 359 O GLN A 23 12.002 -9.512 -2.817 1.00 0.00 O ATOM 360 CB GLN A 23 13.231 -6.829 -1.299 1.00 0.00 C ATOM 361 CG GLN A 23 14.535 -6.049 -1.147 1.00 0.00 C ATOM 362 CD GLN A 23 15.721 -6.996 -1.344 1.00 0.00 C ATOM 363 OE1 GLN A 23 15.822 -8.007 -0.679 1.00 0.00 O ATOM 364 NE2 GLN A 23 16.625 -6.712 -2.240 1.00 0.00 N ATOM 0 H GLN A 23 13.011 -5.324 -3.125 1.00 0.00 H new ATOM 0 HA GLN A 23 14.016 -8.035 -2.949 1.00 0.00 H new ATOM 0 HB2 GLN A 23 12.379 -6.174 -1.118 1.00 0.00 H new ATOM 0 HB3 GLN A 23 13.183 -7.627 -0.558 1.00 0.00 H new ATOM 0 HG2 GLN A 23 14.575 -5.241 -1.878 1.00 0.00 H new ATOM 0 HG3 GLN A 23 14.583 -5.589 -0.160 1.00 0.00 H new ATOM 0 HE21 GLN A 23 16.540 -5.863 -2.799 1.00 0.00 H new ATOM 0 HE22 GLN A 23 17.417 -7.339 -2.382 1.00 0.00 H new ATOM 373 N ILE A 24 10.761 -7.706 -2.946 1.00 0.00 N ATOM 374 CA ILE A 24 9.516 -8.520 -3.040 1.00 0.00 C ATOM 375 C ILE A 24 9.558 -9.388 -4.297 1.00 0.00 C ATOM 376 O ILE A 24 9.309 -10.576 -4.253 1.00 0.00 O ATOM 377 CB ILE A 24 8.378 -7.504 -3.129 1.00 0.00 C ATOM 378 CG1 ILE A 24 8.336 -6.672 -1.846 1.00 0.00 C ATOM 379 CG2 ILE A 24 7.050 -8.242 -3.308 1.00 0.00 C ATOM 380 CD1 ILE A 24 7.360 -5.505 -2.018 1.00 0.00 C ATOM 0 H ILE A 24 10.624 -6.696 -2.972 1.00 0.00 H new ATOM 0 HA ILE A 24 9.393 -9.189 -2.189 1.00 0.00 H new ATOM 0 HB ILE A 24 8.543 -6.845 -3.981 1.00 0.00 H new ATOM 0 HG12 ILE A 24 8.028 -7.296 -1.007 1.00 0.00 H new ATOM 0 HG13 ILE A 24 9.332 -6.294 -1.613 1.00 0.00 H new ATOM 0 HG21 ILE A 24 6.237 -7.518 -3.372 1.00 0.00 H new ATOM 0 HG22 ILE A 24 7.082 -8.833 -4.224 1.00 0.00 H new ATOM 0 HG23 ILE A 24 6.883 -8.902 -2.457 1.00 0.00 H new ATOM 0 HD11 ILE A 24 7.333 -4.915 -1.102 1.00 0.00 H new ATOM 0 HD12 ILE A 24 7.688 -4.876 -2.845 1.00 0.00 H new ATOM 0 HD13 ILE A 24 6.363 -5.892 -2.229 1.00 0.00 H new ATOM 392 N LYS A 25 9.941 -8.819 -5.404 1.00 0.00 N ATOM 393 CA LYS A 25 10.081 -9.630 -6.643 1.00 0.00 C ATOM 394 C LYS A 25 11.134 -10.721 -6.430 1.00 0.00 C ATOM 395 O LYS A 25 10.914 -11.879 -6.723 1.00 0.00 O ATOM 396 CB LYS A 25 10.544 -8.635 -7.705 1.00 0.00 C ATOM 397 CG LYS A 25 9.409 -7.658 -8.016 1.00 0.00 C ATOM 398 CD LYS A 25 9.871 -6.660 -9.079 1.00 0.00 C ATOM 399 CE LYS A 25 8.748 -5.661 -9.360 1.00 0.00 C ATOM 400 NZ LYS A 25 8.017 -6.223 -10.529 1.00 0.00 N ATOM 0 H LYS A 25 10.163 -7.829 -5.504 1.00 0.00 H new ATOM 0 HA LYS A 25 9.155 -10.130 -6.929 1.00 0.00 H new ATOM 0 HB2 LYS A 25 11.420 -8.091 -7.352 1.00 0.00 H new ATOM 0 HB3 LYS A 25 10.841 -9.165 -8.610 1.00 0.00 H new ATOM 0 HG2 LYS A 25 8.533 -8.202 -8.369 1.00 0.00 H new ATOM 0 HG3 LYS A 25 9.112 -7.129 -7.110 1.00 0.00 H new ATOM 0 HD2 LYS A 25 10.763 -6.135 -8.737 1.00 0.00 H new ATOM 0 HD3 LYS A 25 10.142 -7.186 -9.994 1.00 0.00 H new ATOM 0 HE2 LYS A 25 8.090 -5.554 -8.498 1.00 0.00 H new ATOM 0 HE3 LYS A 25 9.147 -4.671 -9.582 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 7.230 -5.592 -10.782 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 8.667 -6.308 -11.337 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 7.643 -7.162 -10.286 1.00 0.00 H new ATOM 414 N ASN A 26 12.258 -10.363 -5.871 1.00 0.00 N ATOM 415 CA ASN A 26 13.310 -11.379 -5.579 1.00 0.00 C ATOM 416 C ASN A 26 12.773 -12.446 -4.630 1.00 0.00 C ATOM 417 O ASN A 26 12.842 -13.629 -4.901 1.00 0.00 O ATOM 418 CB ASN A 26 14.425 -10.597 -4.888 1.00 0.00 C ATOM 419 CG ASN A 26 15.634 -11.510 -4.672 1.00 0.00 C ATOM 420 OD1 ASN A 26 16.039 -11.743 -3.551 1.00 0.00 O ATOM 421 ND2 ASN A 26 16.228 -12.047 -5.704 1.00 0.00 N ATOM 0 H ASN A 26 12.494 -9.408 -5.603 1.00 0.00 H new ATOM 0 HA ASN A 26 13.647 -11.887 -6.483 1.00 0.00 H new ATOM 0 HB2 ASN A 26 14.710 -9.737 -5.494 1.00 0.00 H new ATOM 0 HB3 ASN A 26 14.073 -10.210 -3.932 1.00 0.00 H new ATOM 0 HD21 ASN A 26 17.031 -12.661 -5.568 1.00 0.00 H new ATOM 0 HD22 ASN A 26 15.889 -11.852 -6.646 1.00 0.00 H new ATOM 428 N GLY A 27 12.387 -12.038 -3.455 1.00 0.00 N ATOM 429 CA GLY A 27 12.017 -13.024 -2.407 1.00 0.00 C ATOM 430 C GLY A 27 10.496 -13.068 -2.248 1.00 0.00 C ATOM 431 O GLY A 27 9.920 -14.117 -2.040 1.00 0.00 O ATOM 0 H GLY A 27 12.312 -11.060 -3.175 1.00 0.00 H new ATOM 0 HA2 GLY A 27 12.392 -14.012 -2.676 1.00 0.00 H new ATOM 0 HA3 GLY A 27 12.483 -12.753 -1.460 1.00 0.00 H new ATOM 435 N ALA A 28 9.855 -11.924 -2.311 1.00 0.00 N ATOM 436 CA ALA A 28 8.365 -11.849 -2.140 1.00 0.00 C ATOM 437 C ALA A 28 8.004 -11.869 -0.655 1.00 0.00 C ATOM 438 O ALA A 28 8.063 -12.894 -0.003 1.00 0.00 O ATOM 439 CB ALA A 28 7.771 -13.061 -2.867 1.00 0.00 C ATOM 0 H ALA A 28 10.307 -11.025 -2.476 1.00 0.00 H new ATOM 0 HA ALA A 28 7.966 -10.924 -2.556 1.00 0.00 H new ATOM 0 HB1 ALA A 28 6.685 -13.048 -2.769 1.00 0.00 H new ATOM 0 HB2 ALA A 28 8.041 -13.020 -3.922 1.00 0.00 H new ATOM 0 HB3 ALA A 28 8.164 -13.978 -2.427 1.00 0.00 H new ATOM 445 N ASP A 29 7.679 -10.732 -0.106 1.00 0.00 N ATOM 446 CA ASP A 29 7.370 -10.666 1.349 1.00 0.00 C ATOM 447 C ASP A 29 6.917 -9.253 1.728 1.00 0.00 C ATOM 448 O ASP A 29 7.605 -8.534 2.426 1.00 0.00 O ATOM 449 CB ASP A 29 8.689 -11.013 2.036 1.00 0.00 C ATOM 450 CG ASP A 29 8.644 -12.460 2.531 1.00 0.00 C ATOM 451 OD1 ASP A 29 7.555 -12.938 2.806 1.00 0.00 O ATOM 452 OD2 ASP A 29 9.698 -13.066 2.627 1.00 0.00 O ATOM 0 H ASP A 29 7.614 -9.844 -0.603 1.00 0.00 H new ATOM 0 HA ASP A 29 6.565 -11.342 1.639 1.00 0.00 H new ATOM 0 HB2 ASP A 29 9.518 -10.881 1.341 1.00 0.00 H new ATOM 0 HB3 ASP A 29 8.864 -10.337 2.873 1.00 0.00 H new ATOM 457 N PHE A 30 5.779 -8.838 1.245 1.00 0.00 N ATOM 458 CA PHE A 30 5.298 -7.458 1.542 1.00 0.00 C ATOM 459 C PHE A 30 5.129 -7.253 3.049 1.00 0.00 C ATOM 460 O PHE A 30 5.474 -6.219 3.583 1.00 0.00 O ATOM 461 CB PHE A 30 3.945 -7.351 0.839 1.00 0.00 C ATOM 462 CG PHE A 30 4.099 -6.573 -0.445 1.00 0.00 C ATOM 463 CD1 PHE A 30 3.957 -5.179 -0.433 1.00 0.00 C ATOM 464 CD2 PHE A 30 4.379 -7.240 -1.646 1.00 0.00 C ATOM 465 CE1 PHE A 30 4.095 -4.450 -1.621 1.00 0.00 C ATOM 466 CE2 PHE A 30 4.517 -6.510 -2.836 1.00 0.00 C ATOM 467 CZ PHE A 30 4.374 -5.115 -2.824 1.00 0.00 C ATOM 0 H PHE A 30 5.160 -9.395 0.656 1.00 0.00 H new ATOM 0 HA PHE A 30 6.004 -6.701 1.200 1.00 0.00 H new ATOM 0 HB2 PHE A 30 3.554 -8.346 0.628 1.00 0.00 H new ATOM 0 HB3 PHE A 30 3.224 -6.857 1.490 1.00 0.00 H new ATOM 0 HD1 PHE A 30 3.741 -4.666 0.493 1.00 0.00 H new ATOM 0 HD2 PHE A 30 4.488 -8.314 -1.655 1.00 0.00 H new ATOM 0 HE1 PHE A 30 3.987 -3.376 -1.611 1.00 0.00 H new ATOM 0 HE2 PHE A 30 4.733 -7.023 -3.762 1.00 0.00 H new ATOM 0 HZ PHE A 30 4.479 -4.553 -3.740 1.00 0.00 H new ATOM 477 N GLY A 31 4.553 -8.201 3.732 1.00 0.00 N ATOM 478 CA GLY A 31 4.312 -8.019 5.190 1.00 0.00 C ATOM 479 C GLY A 31 5.648 -7.812 5.910 1.00 0.00 C ATOM 480 O GLY A 31 5.773 -6.972 6.781 1.00 0.00 O ATOM 0 H GLY A 31 4.239 -9.091 3.346 1.00 0.00 H new ATOM 0 HA2 GLY A 31 3.661 -7.161 5.357 1.00 0.00 H new ATOM 0 HA3 GLY A 31 3.800 -8.891 5.596 1.00 0.00 H new ATOM 484 N LYS A 32 6.641 -8.587 5.572 1.00 0.00 N ATOM 485 CA LYS A 32 7.957 -8.454 6.259 1.00 0.00 C ATOM 486 C LYS A 32 8.581 -7.088 5.955 1.00 0.00 C ATOM 487 O LYS A 32 9.134 -6.439 6.823 1.00 0.00 O ATOM 488 CB LYS A 32 8.809 -9.586 5.680 1.00 0.00 C ATOM 489 CG LYS A 32 10.108 -9.718 6.478 1.00 0.00 C ATOM 490 CD LYS A 32 10.919 -10.894 5.928 1.00 0.00 C ATOM 491 CE LYS A 32 12.152 -11.121 6.805 1.00 0.00 C ATOM 492 NZ LYS A 32 12.679 -12.451 6.384 1.00 0.00 N ATOM 0 H LYS A 32 6.599 -9.306 4.850 1.00 0.00 H new ATOM 0 HA LYS A 32 7.872 -8.520 7.344 1.00 0.00 H new ATOM 0 HB2 LYS A 32 8.255 -10.524 5.713 1.00 0.00 H new ATOM 0 HB3 LYS A 32 9.034 -9.385 4.633 1.00 0.00 H new ATOM 0 HG2 LYS A 32 10.687 -8.797 6.408 1.00 0.00 H new ATOM 0 HG3 LYS A 32 9.886 -9.876 7.533 1.00 0.00 H new ATOM 0 HD2 LYS A 32 10.305 -11.794 5.906 1.00 0.00 H new ATOM 0 HD3 LYS A 32 11.223 -10.691 4.901 1.00 0.00 H new ATOM 0 HE2 LYS A 32 12.894 -10.336 6.656 1.00 0.00 H new ATOM 0 HE3 LYS A 32 11.891 -11.116 7.863 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 13.527 -12.680 6.940 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 11.953 -13.178 6.544 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 12.925 -12.423 5.374 1.00 0.00 H new ATOM 506 N LEU A 33 8.470 -6.630 4.738 1.00 0.00 N ATOM 507 CA LEU A 33 9.031 -5.290 4.397 1.00 0.00 C ATOM 508 C LEU A 33 8.267 -4.186 5.133 1.00 0.00 C ATOM 509 O LEU A 33 8.850 -3.237 5.613 1.00 0.00 O ATOM 510 CB LEU A 33 8.851 -5.152 2.887 1.00 0.00 C ATOM 511 CG LEU A 33 9.803 -6.113 2.175 1.00 0.00 C ATOM 512 CD1 LEU A 33 9.501 -6.111 0.677 1.00 0.00 C ATOM 513 CD2 LEU A 33 11.248 -5.666 2.406 1.00 0.00 C ATOM 0 H LEU A 33 8.018 -7.122 3.968 1.00 0.00 H new ATOM 0 HA LEU A 33 10.076 -5.199 4.692 1.00 0.00 H new ATOM 0 HB2 LEU A 33 7.820 -5.372 2.610 1.00 0.00 H new ATOM 0 HB3 LEU A 33 9.052 -4.126 2.577 1.00 0.00 H new ATOM 0 HG LEU A 33 9.668 -7.119 2.572 1.00 0.00 H new ATOM 0 HD11 LEU A 33 10.179 -6.796 0.168 1.00 0.00 H new ATOM 0 HD12 LEU A 33 8.472 -6.431 0.513 1.00 0.00 H new ATOM 0 HD13 LEU A 33 9.636 -5.105 0.280 1.00 0.00 H new ATOM 0 HD21 LEU A 33 11.926 -6.351 1.898 1.00 0.00 H new ATOM 0 HD22 LEU A 33 11.385 -4.660 2.010 1.00 0.00 H new ATOM 0 HD23 LEU A 33 11.463 -5.668 3.475 1.00 0.00 H new ATOM 525 N ALA A 34 6.972 -4.302 5.233 1.00 0.00 N ATOM 526 CA ALA A 34 6.187 -3.254 5.945 1.00 0.00 C ATOM 527 C ALA A 34 6.655 -3.145 7.397 1.00 0.00 C ATOM 528 O ALA A 34 6.844 -2.064 7.917 1.00 0.00 O ATOM 529 CB ALA A 34 4.738 -3.737 5.891 1.00 0.00 C ATOM 0 H ALA A 34 6.424 -5.074 4.854 1.00 0.00 H new ATOM 0 HA ALA A 34 6.307 -2.270 5.492 1.00 0.00 H new ATOM 0 HB1 ALA A 34 4.095 -3.016 6.396 1.00 0.00 H new ATOM 0 HB2 ALA A 34 4.426 -3.835 4.851 1.00 0.00 H new ATOM 0 HB3 ALA A 34 4.658 -4.704 6.387 1.00 0.00 H new ATOM 535 N LYS A 35 6.810 -4.256 8.064 1.00 0.00 N ATOM 536 CA LYS A 35 7.219 -4.211 9.498 1.00 0.00 C ATOM 537 C LYS A 35 8.576 -3.516 9.655 1.00 0.00 C ATOM 538 O LYS A 35 8.760 -2.691 10.528 1.00 0.00 O ATOM 539 CB LYS A 35 7.331 -5.679 9.913 1.00 0.00 C ATOM 540 CG LYS A 35 7.751 -5.769 11.383 1.00 0.00 C ATOM 541 CD LYS A 35 7.920 -7.239 11.774 1.00 0.00 C ATOM 542 CE LYS A 35 8.343 -7.334 13.242 1.00 0.00 C ATOM 543 NZ LYS A 35 7.119 -6.984 14.018 1.00 0.00 N ATOM 0 H LYS A 35 6.672 -5.191 7.680 1.00 0.00 H new ATOM 0 HA LYS A 35 6.508 -3.654 10.108 1.00 0.00 H new ATOM 0 HB2 LYS A 35 6.375 -6.182 9.766 1.00 0.00 H new ATOM 0 HB3 LYS A 35 8.060 -6.190 9.284 1.00 0.00 H new ATOM 0 HG2 LYS A 35 8.685 -5.230 11.539 1.00 0.00 H new ATOM 0 HG3 LYS A 35 7.000 -5.297 12.017 1.00 0.00 H new ATOM 0 HD2 LYS A 35 6.985 -7.777 11.619 1.00 0.00 H new ATOM 0 HD3 LYS A 35 8.669 -7.711 11.138 1.00 0.00 H new ATOM 0 HE2 LYS A 35 8.693 -8.336 13.488 1.00 0.00 H new ATOM 0 HE3 LYS A 35 9.160 -6.648 13.463 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 7.132 -7.483 14.931 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 7.095 -5.958 14.184 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 6.275 -7.267 13.481 1.00 0.00 H new ATOM 557 N LYS A 36 9.556 -3.919 8.893 1.00 0.00 N ATOM 558 CA LYS A 36 10.926 -3.363 9.098 1.00 0.00 C ATOM 559 C LYS A 36 11.038 -1.939 8.537 1.00 0.00 C ATOM 560 O LYS A 36 11.616 -1.067 9.154 1.00 0.00 O ATOM 561 CB LYS A 36 11.852 -4.314 8.342 1.00 0.00 C ATOM 562 CG LYS A 36 11.895 -5.658 9.072 1.00 0.00 C ATOM 563 CD LYS A 36 12.819 -6.620 8.325 1.00 0.00 C ATOM 564 CE LYS A 36 12.856 -7.960 9.062 1.00 0.00 C ATOM 565 NZ LYS A 36 14.249 -8.458 8.884 1.00 0.00 N ATOM 0 H LYS A 36 9.470 -4.604 8.142 1.00 0.00 H new ATOM 0 HA LYS A 36 11.179 -3.292 10.156 1.00 0.00 H new ATOM 0 HB2 LYS A 36 11.497 -4.452 7.321 1.00 0.00 H new ATOM 0 HB3 LYS A 36 12.854 -3.890 8.276 1.00 0.00 H new ATOM 0 HG2 LYS A 36 12.249 -5.517 10.093 1.00 0.00 H new ATOM 0 HG3 LYS A 36 10.892 -6.079 9.138 1.00 0.00 H new ATOM 0 HD2 LYS A 36 12.465 -6.763 7.304 1.00 0.00 H new ATOM 0 HD3 LYS A 36 13.823 -6.200 8.259 1.00 0.00 H new ATOM 0 HE2 LYS A 36 12.612 -7.837 10.117 1.00 0.00 H new ATOM 0 HE3 LYS A 36 12.130 -8.659 8.647 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 14.354 -9.375 9.363 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 14.450 -8.572 7.870 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 14.917 -7.775 9.295 1.00 0.00 H new ATOM 579 N HIS A 37 10.585 -1.721 7.334 1.00 0.00 N ATOM 580 CA HIS A 37 10.771 -0.383 6.699 1.00 0.00 C ATOM 581 C HIS A 37 9.867 0.670 7.350 1.00 0.00 C ATOM 582 O HIS A 37 10.220 1.829 7.437 1.00 0.00 O ATOM 583 CB HIS A 37 10.388 -0.583 5.234 1.00 0.00 C ATOM 584 CG HIS A 37 11.430 -1.429 4.557 1.00 0.00 C ATOM 585 ND1 HIS A 37 12.784 -1.149 4.655 1.00 0.00 N ATOM 586 CD2 HIS A 37 11.334 -2.548 3.768 1.00 0.00 C ATOM 587 CE1 HIS A 37 13.443 -2.081 3.944 1.00 0.00 C ATOM 588 NE2 HIS A 37 12.607 -2.958 3.381 1.00 0.00 N ATOM 0 H HIS A 37 10.095 -2.409 6.763 1.00 0.00 H new ATOM 0 HA HIS A 37 11.793 -0.022 6.815 1.00 0.00 H new ATOM 0 HB2 HIS A 37 9.412 -1.063 5.164 1.00 0.00 H new ATOM 0 HB3 HIS A 37 10.305 0.382 4.733 1.00 0.00 H new ATOM 0 HD1 HIS A 37 13.204 -0.377 5.172 1.00 0.00 H new ATOM 0 HD2 HIS A 37 10.412 -3.036 3.490 1.00 0.00 H new ATOM 0 HE1 HIS A 37 14.517 -2.116 3.841 1.00 0.00 H new ATOM 596 N SER A 38 8.653 0.311 7.666 1.00 0.00 N ATOM 597 CA SER A 38 7.678 1.335 8.142 1.00 0.00 C ATOM 598 C SER A 38 8.167 2.003 9.427 1.00 0.00 C ATOM 599 O SER A 38 8.149 3.212 9.541 1.00 0.00 O ATOM 600 CB SER A 38 6.389 0.559 8.402 1.00 0.00 C ATOM 601 OG SER A 38 5.334 1.475 8.647 1.00 0.00 O ATOM 0 H SER A 38 8.294 -0.643 7.616 1.00 0.00 H new ATOM 0 HA SER A 38 7.542 2.134 7.413 1.00 0.00 H new ATOM 0 HB2 SER A 38 6.149 -0.069 7.544 1.00 0.00 H new ATOM 0 HB3 SER A 38 6.516 -0.105 9.257 1.00 0.00 H new ATOM 0 HG SER A 38 5.462 1.895 9.523 1.00 0.00 H new ATOM 607 N ILE A 39 8.558 1.216 10.405 1.00 0.00 N ATOM 608 CA ILE A 39 8.995 1.776 11.723 1.00 0.00 C ATOM 609 C ILE A 39 8.235 3.066 12.052 1.00 0.00 C ATOM 610 O ILE A 39 8.822 4.086 12.347 1.00 0.00 O ATOM 611 CB ILE A 39 10.485 2.059 11.546 1.00 0.00 C ATOM 612 CG1 ILE A 39 11.230 0.740 11.338 1.00 0.00 C ATOM 613 CG2 ILE A 39 11.020 2.754 12.796 1.00 0.00 C ATOM 614 CD1 ILE A 39 12.657 1.026 10.864 1.00 0.00 C ATOM 0 H ILE A 39 8.592 0.198 10.343 1.00 0.00 H new ATOM 0 HA ILE A 39 8.797 1.089 12.546 1.00 0.00 H new ATOM 0 HB ILE A 39 10.635 2.703 10.679 1.00 0.00 H new ATOM 0 HG12 ILE A 39 11.252 0.172 12.268 1.00 0.00 H new ATOM 0 HG13 ILE A 39 10.708 0.128 10.603 1.00 0.00 H new ATOM 0 HG21 ILE A 39 12.084 2.957 12.672 1.00 0.00 H new ATOM 0 HG22 ILE A 39 10.486 3.692 12.947 1.00 0.00 H new ATOM 0 HG23 ILE A 39 10.872 2.109 13.662 1.00 0.00 H new ATOM 0 HD11 ILE A 39 13.187 0.085 10.716 1.00 0.00 H new ATOM 0 HD12 ILE A 39 12.625 1.576 9.923 1.00 0.00 H new ATOM 0 HD13 ILE A 39 13.177 1.621 11.614 1.00 0.00 H new ATOM 626 N CYS A 40 6.934 3.040 11.930 1.00 0.00 N ATOM 627 CA CYS A 40 6.138 4.281 12.155 1.00 0.00 C ATOM 628 C CYS A 40 4.811 3.942 12.843 1.00 0.00 C ATOM 629 O CYS A 40 4.396 2.801 12.864 1.00 0.00 O ATOM 630 CB CYS A 40 5.899 4.853 10.754 1.00 0.00 C ATOM 631 SG CYS A 40 4.683 3.840 9.874 1.00 0.00 S ATOM 0 H CYS A 40 6.389 2.213 11.684 1.00 0.00 H new ATOM 0 HA CYS A 40 6.650 4.994 12.801 1.00 0.00 H new ATOM 0 HB2 CYS A 40 5.544 5.881 10.827 1.00 0.00 H new ATOM 0 HB3 CYS A 40 6.836 4.878 10.197 1.00 0.00 H new ATOM 0 HG CYS A 40 5.248 3.277 8.847 1.00 0.00 H new ATOM 637 N PRO A 41 4.207 4.948 13.415 1.00 0.00 N ATOM 638 CA PRO A 41 2.933 4.758 14.151 1.00 0.00 C ATOM 639 C PRO A 41 1.900 4.042 13.274 1.00 0.00 C ATOM 640 O PRO A 41 1.032 3.349 13.766 1.00 0.00 O ATOM 641 CB PRO A 41 2.471 6.178 14.489 1.00 0.00 C ATOM 642 CG PRO A 41 3.389 7.105 13.746 1.00 0.00 C ATOM 643 CD PRO A 41 4.645 6.343 13.428 1.00 0.00 C ATOM 0 HA PRO A 41 3.056 4.140 15.041 1.00 0.00 H new ATOM 0 HB2 PRO A 41 1.435 6.332 14.188 1.00 0.00 H new ATOM 0 HB3 PRO A 41 2.521 6.358 15.563 1.00 0.00 H new ATOM 0 HG2 PRO A 41 2.915 7.461 12.831 1.00 0.00 H new ATOM 0 HG3 PRO A 41 3.617 7.984 14.350 1.00 0.00 H new ATOM 0 HD2 PRO A 41 5.062 6.641 12.466 1.00 0.00 H new ATOM 0 HD3 PRO A 41 5.418 6.514 14.177 1.00 0.00 H new ATOM 651 N SER A 42 2.011 4.165 11.978 1.00 0.00 N ATOM 652 CA SER A 42 1.060 3.448 11.081 1.00 0.00 C ATOM 653 C SER A 42 1.777 2.306 10.361 1.00 0.00 C ATOM 654 O SER A 42 1.263 1.737 9.420 1.00 0.00 O ATOM 655 CB SER A 42 0.575 4.494 10.078 1.00 0.00 C ATOM 656 OG SER A 42 1.490 5.578 10.043 1.00 0.00 O ATOM 0 H SER A 42 2.716 4.729 11.504 1.00 0.00 H new ATOM 0 HA SER A 42 0.230 3.008 11.634 1.00 0.00 H new ATOM 0 HB2 SER A 42 0.485 4.049 9.087 1.00 0.00 H new ATOM 0 HB3 SER A 42 -0.416 4.850 10.359 1.00 0.00 H new ATOM 0 HG SER A 42 1.179 6.248 9.398 1.00 0.00 H new ATOM 662 N GLY A 43 2.890 1.874 10.878 1.00 0.00 N ATOM 663 CA GLY A 43 3.537 0.662 10.310 1.00 0.00 C ATOM 664 C GLY A 43 2.791 -0.571 10.817 1.00 0.00 C ATOM 665 O GLY A 43 2.315 -1.383 10.048 1.00 0.00 O ATOM 0 H GLY A 43 3.377 2.304 11.664 1.00 0.00 H new ATOM 0 HA2 GLY A 43 3.515 0.696 9.221 1.00 0.00 H new ATOM 0 HA3 GLY A 43 4.585 0.619 10.606 1.00 0.00 H new ATOM 669 N LYS A 44 2.632 -0.685 12.108 1.00 0.00 N ATOM 670 CA LYS A 44 1.854 -1.827 12.666 1.00 0.00 C ATOM 671 C LYS A 44 0.416 -1.802 12.136 1.00 0.00 C ATOM 672 O LYS A 44 -0.173 -2.831 11.871 1.00 0.00 O ATOM 673 CB LYS A 44 1.876 -1.631 14.183 1.00 0.00 C ATOM 674 CG LYS A 44 3.304 -1.827 14.695 1.00 0.00 C ATOM 675 CD LYS A 44 3.332 -1.632 16.211 1.00 0.00 C ATOM 676 CE LYS A 44 4.761 -1.824 16.723 1.00 0.00 C ATOM 677 NZ LYS A 44 4.601 -2.364 18.102 1.00 0.00 N ATOM 0 H LYS A 44 3.007 -0.036 12.800 1.00 0.00 H new ATOM 0 HA LYS A 44 2.278 -2.789 12.379 1.00 0.00 H new ATOM 0 HB2 LYS A 44 1.519 -0.633 14.438 1.00 0.00 H new ATOM 0 HB3 LYS A 44 1.204 -2.342 14.663 1.00 0.00 H new ATOM 0 HG2 LYS A 44 3.660 -2.825 14.439 1.00 0.00 H new ATOM 0 HG3 LYS A 44 3.975 -1.116 14.213 1.00 0.00 H new ATOM 0 HD2 LYS A 44 2.973 -0.635 16.467 1.00 0.00 H new ATOM 0 HD3 LYS A 44 2.663 -2.345 16.693 1.00 0.00 H new ATOM 0 HE2 LYS A 44 5.319 -2.514 16.090 1.00 0.00 H new ATOM 0 HE3 LYS A 44 5.309 -0.882 16.728 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 5.538 -2.523 18.523 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 4.072 -1.682 18.682 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 4.081 -3.264 18.064 1.00 0.00 H new ATOM 691 N ARG A 45 -0.178 -0.641 12.035 1.00 0.00 N ATOM 692 CA ARG A 45 -1.599 -0.573 11.586 1.00 0.00 C ATOM 693 C ARG A 45 -1.667 -0.320 10.075 1.00 0.00 C ATOM 694 O ARG A 45 -2.449 -0.926 9.370 1.00 0.00 O ATOM 695 CB ARG A 45 -2.202 0.597 12.375 1.00 0.00 C ATOM 696 CG ARG A 45 -3.453 1.121 11.665 1.00 0.00 C ATOM 697 CD ARG A 45 -4.563 0.068 11.729 1.00 0.00 C ATOM 698 NE ARG A 45 -5.272 0.335 13.012 1.00 0.00 N ATOM 699 CZ ARG A 45 -6.339 -0.351 13.329 1.00 0.00 C ATOM 700 NH1 ARG A 45 -6.786 -1.282 12.528 1.00 0.00 N ATOM 701 NH2 ARG A 45 -6.960 -0.107 14.451 1.00 0.00 N ATOM 0 H ARG A 45 0.257 0.258 12.243 1.00 0.00 H new ATOM 0 HA ARG A 45 -2.141 -1.501 11.765 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -2.456 0.273 13.384 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -1.468 1.397 12.473 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -3.789 2.046 12.134 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -3.221 1.356 10.626 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -5.239 0.155 10.879 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -4.152 -0.941 11.708 1.00 0.00 H new ATOM 0 HE ARG A 45 -4.924 1.055 13.645 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -6.302 -1.476 11.651 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -7.619 -1.815 12.780 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -6.613 0.618 15.079 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -7.793 -0.641 14.700 1.00 0.00 H new ATOM 715 N GLY A 46 -0.830 0.541 9.567 1.00 0.00 N ATOM 716 CA GLY A 46 -0.821 0.798 8.098 1.00 0.00 C ATOM 717 C GLY A 46 -0.337 -0.459 7.373 1.00 0.00 C ATOM 718 O GLY A 46 -0.731 -0.734 6.257 1.00 0.00 O ATOM 0 H GLY A 46 -0.151 1.079 10.105 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -1.821 1.067 7.757 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -0.168 1.640 7.868 1.00 0.00 H new ATOM 722 N GLY A 47 0.474 -1.252 8.022 1.00 0.00 N ATOM 723 CA GLY A 47 0.935 -2.524 7.395 1.00 0.00 C ATOM 724 C GLY A 47 -0.231 -3.517 7.331 1.00 0.00 C ATOM 725 O GLY A 47 -0.114 -4.591 6.775 1.00 0.00 O ATOM 0 H GLY A 47 0.837 -1.074 8.959 1.00 0.00 H new ATOM 0 HA2 GLY A 47 1.316 -2.330 6.392 1.00 0.00 H new ATOM 0 HA3 GLY A 47 1.757 -2.949 7.972 1.00 0.00 H new ATOM 729 N ASP A 48 -1.358 -3.160 7.885 1.00 0.00 N ATOM 730 CA ASP A 48 -2.539 -4.066 7.845 1.00 0.00 C ATOM 731 C ASP A 48 -3.749 -3.338 8.430 1.00 0.00 C ATOM 732 O ASP A 48 -4.156 -3.581 9.548 1.00 0.00 O ATOM 733 CB ASP A 48 -2.154 -5.262 8.718 1.00 0.00 C ATOM 734 CG ASP A 48 -3.299 -6.277 8.727 1.00 0.00 C ATOM 735 OD1 ASP A 48 -4.410 -5.890 8.405 1.00 0.00 O ATOM 736 OD2 ASP A 48 -3.045 -7.424 9.058 1.00 0.00 O ATOM 0 H ASP A 48 -1.511 -2.274 8.366 1.00 0.00 H new ATOM 0 HA ASP A 48 -2.800 -4.379 6.834 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -1.245 -5.727 8.336 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -1.940 -4.930 9.734 1.00 0.00 H new ATOM 741 N LEU A 49 -4.257 -2.372 7.716 1.00 0.00 N ATOM 742 CA LEU A 49 -5.363 -1.535 8.262 1.00 0.00 C ATOM 743 C LEU A 49 -6.658 -2.348 8.361 1.00 0.00 C ATOM 744 O LEU A 49 -7.532 -2.044 9.147 1.00 0.00 O ATOM 745 CB LEU A 49 -5.521 -0.380 7.267 1.00 0.00 C ATOM 746 CG LEU A 49 -4.332 0.577 7.394 1.00 0.00 C ATOM 747 CD1 LEU A 49 -4.023 1.193 6.028 1.00 0.00 C ATOM 748 CD2 LEU A 49 -4.678 1.692 8.381 1.00 0.00 C ATOM 0 H LEU A 49 -3.953 -2.125 6.774 1.00 0.00 H new ATOM 0 HA LEU A 49 -5.145 -1.177 9.268 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -5.580 -0.769 6.250 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -6.452 0.154 7.459 1.00 0.00 H new ATOM 0 HG LEU A 49 -3.462 0.026 7.753 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -3.177 1.874 6.119 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -3.778 0.402 5.319 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -4.894 1.742 5.671 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -3.832 2.373 8.472 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -5.548 2.240 8.020 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -4.901 1.259 9.356 1.00 0.00 H new ATOM 760 N GLY A 50 -6.817 -3.338 7.525 1.00 0.00 N ATOM 761 CA GLY A 50 -8.090 -4.110 7.529 1.00 0.00 C ATOM 762 C GLY A 50 -8.941 -3.679 6.333 1.00 0.00 C ATOM 763 O GLY A 50 -8.430 -3.414 5.265 1.00 0.00 O ATOM 0 H GLY A 50 -6.123 -3.644 6.843 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -7.882 -5.179 7.477 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -8.632 -3.936 8.458 1.00 0.00 H new ATOM 767 N GLU A 51 -10.236 -3.655 6.486 1.00 0.00 N ATOM 768 CA GLU A 51 -11.109 -3.296 5.333 1.00 0.00 C ATOM 769 C GLU A 51 -11.816 -1.960 5.589 1.00 0.00 C ATOM 770 O GLU A 51 -12.425 -1.755 6.621 1.00 0.00 O ATOM 771 CB GLU A 51 -12.126 -4.432 5.238 1.00 0.00 C ATOM 772 CG GLU A 51 -12.762 -4.428 3.847 1.00 0.00 C ATOM 773 CD GLU A 51 -13.781 -5.565 3.746 1.00 0.00 C ATOM 774 OE1 GLU A 51 -13.818 -6.383 4.649 1.00 0.00 O ATOM 775 OE2 GLU A 51 -14.511 -5.594 2.769 1.00 0.00 O ATOM 0 H GLU A 51 -10.726 -3.867 7.355 1.00 0.00 H new ATOM 0 HA GLU A 51 -10.541 -3.177 4.410 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -11.638 -5.389 5.424 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -12.894 -4.312 6.002 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -13.250 -3.471 3.662 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -11.993 -4.546 3.084 1.00 0.00 H new ATOM 782 N PHE A 52 -11.788 -1.075 4.630 1.00 0.00 N ATOM 783 CA PHE A 52 -12.509 0.221 4.782 1.00 0.00 C ATOM 784 C PHE A 52 -13.245 0.560 3.482 1.00 0.00 C ATOM 785 O PHE A 52 -13.027 -0.058 2.462 1.00 0.00 O ATOM 786 CB PHE A 52 -11.419 1.252 5.077 1.00 0.00 C ATOM 787 CG PHE A 52 -10.265 1.063 4.120 1.00 0.00 C ATOM 788 CD1 PHE A 52 -10.458 1.243 2.743 1.00 0.00 C ATOM 789 CD2 PHE A 52 -8.998 0.709 4.609 1.00 0.00 C ATOM 790 CE1 PHE A 52 -9.387 1.069 1.856 1.00 0.00 C ATOM 791 CE2 PHE A 52 -7.927 0.537 3.723 1.00 0.00 C ATOM 792 CZ PHE A 52 -8.121 0.717 2.346 1.00 0.00 C ATOM 0 H PHE A 52 -11.295 -1.194 3.745 1.00 0.00 H new ATOM 0 HA PHE A 52 -13.257 0.194 5.574 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -11.823 2.260 4.980 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -11.073 1.145 6.105 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -11.432 1.516 2.366 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -8.849 0.569 5.669 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -9.537 1.206 0.795 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -6.952 0.266 4.100 1.00 0.00 H new ATOM 0 HZ PHE A 52 -7.295 0.585 1.663 1.00 0.00 H new ATOM 802 N ARG A 53 -14.201 1.447 3.538 1.00 0.00 N ATOM 803 CA ARG A 53 -15.044 1.713 2.330 1.00 0.00 C ATOM 804 C ARG A 53 -14.235 2.414 1.235 1.00 0.00 C ATOM 805 O ARG A 53 -14.645 3.433 0.719 1.00 0.00 O ATOM 806 CB ARG A 53 -16.148 2.640 2.815 1.00 0.00 C ATOM 807 CG ARG A 53 -16.956 1.954 3.915 1.00 0.00 C ATOM 808 CD ARG A 53 -18.063 2.896 4.390 1.00 0.00 C ATOM 809 NE ARG A 53 -18.984 3.015 3.223 1.00 0.00 N ATOM 810 CZ ARG A 53 -19.932 3.915 3.220 1.00 0.00 C ATOM 811 NH1 ARG A 53 -20.082 4.714 4.242 1.00 0.00 N ATOM 812 NH2 ARG A 53 -20.730 4.015 2.192 1.00 0.00 N ATOM 0 H ARG A 53 -14.437 1.999 4.363 1.00 0.00 H new ATOM 0 HA ARG A 53 -15.425 0.786 1.902 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -15.717 3.567 3.193 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -16.801 2.907 1.985 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -17.388 1.026 3.540 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -16.306 1.689 4.749 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -18.578 2.494 5.262 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -17.660 3.867 4.678 1.00 0.00 H new ATOM 0 HE ARG A 53 -18.874 2.391 2.424 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -19.458 4.637 5.046 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -20.823 5.415 4.237 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -20.613 3.392 1.393 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -21.470 4.717 2.187 1.00 0.00 H new ATOM 900 N PRO A 59 -6.819 8.480 -0.021 1.00 0.00 N ATOM 901 CA PRO A 59 -7.368 8.723 -1.378 1.00 0.00 C ATOM 902 C PRO A 59 -6.601 7.899 -2.415 1.00 0.00 C ATOM 903 O PRO A 59 -7.182 7.217 -3.236 1.00 0.00 O ATOM 904 CB PRO A 59 -7.147 10.221 -1.609 1.00 0.00 C ATOM 905 CG PRO A 59 -6.158 10.647 -0.568 1.00 0.00 C ATOM 906 CD PRO A 59 -6.306 9.705 0.594 1.00 0.00 C ATOM 0 HA PRO A 59 -8.416 8.438 -1.467 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -6.766 10.411 -2.613 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -8.081 10.775 -1.512 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -5.143 10.613 -0.964 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -6.345 11.675 -0.257 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -5.353 9.534 1.095 1.00 0.00 H new ATOM 0 HD3 PRO A 59 -6.994 10.097 1.343 1.00 0.00 H new ATOM 914 N ALA A 60 -5.298 7.966 -2.384 1.00 0.00 N ATOM 915 CA ALA A 60 -4.481 7.196 -3.364 1.00 0.00 C ATOM 916 C ALA A 60 -5.068 5.796 -3.565 1.00 0.00 C ATOM 917 O ALA A 60 -5.010 5.239 -4.644 1.00 0.00 O ATOM 918 CB ALA A 60 -3.089 7.107 -2.733 1.00 0.00 C ATOM 0 H ALA A 60 -4.762 8.524 -1.719 1.00 0.00 H new ATOM 0 HA ALA A 60 -4.458 7.672 -4.344 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -2.424 6.552 -3.395 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -2.694 8.111 -2.580 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -3.157 6.594 -1.774 1.00 0.00 H new ATOM 924 N PHE A 61 -5.625 5.217 -2.536 1.00 0.00 N ATOM 925 CA PHE A 61 -6.204 3.851 -2.681 1.00 0.00 C ATOM 926 C PHE A 61 -7.312 3.861 -3.739 1.00 0.00 C ATOM 927 O PHE A 61 -7.429 2.954 -4.538 1.00 0.00 O ATOM 928 CB PHE A 61 -6.776 3.493 -1.310 1.00 0.00 C ATOM 929 CG PHE A 61 -7.381 2.113 -1.385 1.00 0.00 C ATOM 930 CD1 PHE A 61 -6.584 0.989 -1.125 1.00 0.00 C ATOM 931 CD2 PHE A 61 -8.733 1.952 -1.721 1.00 0.00 C ATOM 932 CE1 PHE A 61 -7.137 -0.295 -1.203 1.00 0.00 C ATOM 933 CE2 PHE A 61 -9.287 0.665 -1.796 1.00 0.00 C ATOM 934 CZ PHE A 61 -8.487 -0.458 -1.537 1.00 0.00 C ATOM 0 H PHE A 61 -5.704 5.628 -1.606 1.00 0.00 H new ATOM 0 HA PHE A 61 -5.457 3.125 -3.001 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -5.991 3.521 -0.554 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -7.531 4.221 -1.013 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -5.543 1.114 -0.865 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -9.347 2.817 -1.922 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -6.522 -1.160 -1.005 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -10.328 0.539 -2.053 1.00 0.00 H new ATOM 0 HZ PHE A 61 -8.913 -1.449 -1.595 1.00 0.00 H new ATOM 944 N ASP A 62 -8.115 4.889 -3.758 1.00 0.00 N ATOM 945 CA ASP A 62 -9.199 4.966 -4.778 1.00 0.00 C ATOM 946 C ASP A 62 -8.585 4.948 -6.178 1.00 0.00 C ATOM 947 O ASP A 62 -9.060 4.273 -7.069 1.00 0.00 O ATOM 948 CB ASP A 62 -9.900 6.299 -4.510 1.00 0.00 C ATOM 949 CG ASP A 62 -11.060 6.475 -5.493 1.00 0.00 C ATOM 950 OD1 ASP A 62 -11.106 5.739 -6.464 1.00 0.00 O ATOM 951 OD2 ASP A 62 -11.885 7.342 -5.254 1.00 0.00 O ATOM 0 H ASP A 62 -8.068 5.678 -3.113 1.00 0.00 H new ATOM 0 HA ASP A 62 -9.894 4.129 -4.720 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -10.271 6.327 -3.485 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -9.192 7.121 -4.616 1.00 0.00 H new ATOM 956 N LYS A 63 -7.492 5.632 -6.353 1.00 0.00 N ATOM 957 CA LYS A 63 -6.792 5.602 -7.666 1.00 0.00 C ATOM 958 C LYS A 63 -6.426 4.162 -8.043 1.00 0.00 C ATOM 959 O LYS A 63 -6.439 3.793 -9.201 1.00 0.00 O ATOM 960 CB LYS A 63 -5.527 6.432 -7.444 1.00 0.00 C ATOM 961 CG LYS A 63 -4.705 6.483 -8.732 1.00 0.00 C ATOM 962 CD LYS A 63 -3.444 7.316 -8.492 1.00 0.00 C ATOM 963 CE LYS A 63 -2.614 7.373 -9.776 1.00 0.00 C ATOM 964 NZ LYS A 63 -1.463 8.262 -9.444 1.00 0.00 N ATOM 0 H LYS A 63 -7.051 6.213 -5.641 1.00 0.00 H new ATOM 0 HA LYS A 63 -7.409 5.992 -8.476 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -5.794 7.442 -7.133 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -4.933 5.997 -6.640 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -4.435 5.475 -9.045 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -5.296 6.919 -9.537 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -3.716 8.324 -8.178 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -2.855 6.879 -7.686 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -2.275 6.380 -10.073 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -3.196 7.772 -10.606 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -0.676 8.070 -10.097 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -1.754 9.256 -9.536 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -1.155 8.081 -8.467 1.00 0.00 H new ATOM 978 N VAL A 64 -5.983 3.381 -7.093 1.00 0.00 N ATOM 979 CA VAL A 64 -5.485 2.013 -7.430 1.00 0.00 C ATOM 980 C VAL A 64 -6.601 0.969 -7.332 1.00 0.00 C ATOM 981 O VAL A 64 -6.708 0.099 -8.174 1.00 0.00 O ATOM 982 CB VAL A 64 -4.376 1.712 -6.417 1.00 0.00 C ATOM 983 CG1 VAL A 64 -4.956 1.679 -5.001 1.00 0.00 C ATOM 984 CG2 VAL A 64 -3.757 0.352 -6.737 1.00 0.00 C ATOM 0 H VAL A 64 -5.944 3.628 -6.104 1.00 0.00 H new ATOM 0 HA VAL A 64 -5.120 1.973 -8.456 1.00 0.00 H new ATOM 0 HB VAL A 64 -3.616 2.491 -6.476 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -4.161 1.464 -4.287 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -5.402 2.646 -4.768 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -5.719 0.903 -4.938 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -2.967 0.134 -6.018 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -4.524 -0.420 -6.678 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -3.337 0.371 -7.743 1.00 0.00 H new ATOM 994 N VAL A 65 -7.436 1.029 -6.331 1.00 0.00 N ATOM 995 CA VAL A 65 -8.525 0.012 -6.237 1.00 0.00 C ATOM 996 C VAL A 65 -9.306 -0.037 -7.557 1.00 0.00 C ATOM 997 O VAL A 65 -9.819 -1.066 -7.949 1.00 0.00 O ATOM 998 CB VAL A 65 -9.418 0.456 -5.070 1.00 0.00 C ATOM 999 CG1 VAL A 65 -10.399 1.538 -5.528 1.00 0.00 C ATOM 1000 CG2 VAL A 65 -10.207 -0.750 -4.556 1.00 0.00 C ATOM 0 H VAL A 65 -7.415 1.725 -5.585 1.00 0.00 H new ATOM 0 HA VAL A 65 -8.138 -0.992 -6.063 1.00 0.00 H new ATOM 0 HB VAL A 65 -8.789 0.862 -4.278 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -11.024 1.841 -4.688 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -9.843 2.400 -5.897 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -11.029 1.144 -6.326 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -10.844 -0.442 -3.727 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -10.826 -1.149 -5.360 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -9.514 -1.519 -4.215 1.00 0.00 H new ATOM 1010 N PHE A 66 -9.332 1.050 -8.281 1.00 0.00 N ATOM 1011 CA PHE A 66 -10.000 1.049 -9.615 1.00 0.00 C ATOM 1012 C PHE A 66 -8.950 0.907 -10.724 1.00 0.00 C ATOM 1013 O PHE A 66 -9.254 0.975 -11.899 1.00 0.00 O ATOM 1014 CB PHE A 66 -10.702 2.405 -9.702 1.00 0.00 C ATOM 1015 CG PHE A 66 -12.191 2.215 -9.539 1.00 0.00 C ATOM 1016 CD1 PHE A 66 -12.685 1.311 -8.587 1.00 0.00 C ATOM 1017 CD2 PHE A 66 -13.081 2.945 -10.341 1.00 0.00 C ATOM 1018 CE1 PHE A 66 -14.069 1.138 -8.438 1.00 0.00 C ATOM 1019 CE2 PHE A 66 -14.464 2.771 -10.191 1.00 0.00 C ATOM 1020 CZ PHE A 66 -14.958 1.867 -9.239 1.00 0.00 C ATOM 0 H PHE A 66 -8.918 1.941 -8.005 1.00 0.00 H new ATOM 0 HA PHE A 66 -10.700 0.222 -9.734 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -10.323 3.072 -8.928 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -10.488 2.876 -10.661 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -12.000 0.749 -7.969 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -12.701 3.641 -11.074 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -14.450 0.442 -7.705 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -15.149 3.333 -10.808 1.00 0.00 H new ATOM 0 HZ PHE A 66 -16.023 1.733 -9.123 1.00 0.00 H new ATOM 1030 N SER A 67 -7.716 0.700 -10.352 1.00 0.00 N ATOM 1031 CA SER A 67 -6.634 0.540 -11.362 1.00 0.00 C ATOM 1032 C SER A 67 -6.317 -0.947 -11.567 1.00 0.00 C ATOM 1033 O SER A 67 -6.784 -1.566 -12.502 1.00 0.00 O ATOM 1034 CB SER A 67 -5.428 1.276 -10.775 1.00 0.00 C ATOM 1035 OG SER A 67 -4.348 1.222 -11.694 1.00 0.00 O ATOM 0 H SER A 67 -7.410 0.634 -9.381 1.00 0.00 H new ATOM 0 HA SER A 67 -6.915 0.940 -12.336 1.00 0.00 H new ATOM 0 HB2 SER A 67 -5.689 2.313 -10.564 1.00 0.00 H new ATOM 0 HB3 SER A 67 -5.137 0.822 -9.828 1.00 0.00 H new ATOM 0 HG SER A 67 -3.576 1.695 -11.319 1.00 0.00 H new ATOM 1041 N CYS A 68 -5.549 -1.532 -10.684 1.00 0.00 N ATOM 1042 CA CYS A 68 -5.230 -2.983 -10.814 1.00 0.00 C ATOM 1043 C CYS A 68 -6.405 -3.832 -10.325 1.00 0.00 C ATOM 1044 O CYS A 68 -7.212 -3.382 -9.537 1.00 0.00 O ATOM 1045 CB CYS A 68 -4.007 -3.200 -9.924 1.00 0.00 C ATOM 1046 SG CYS A 68 -2.606 -2.261 -10.582 1.00 0.00 S ATOM 0 H CYS A 68 -5.130 -1.067 -9.879 1.00 0.00 H new ATOM 0 HA CYS A 68 -5.040 -3.271 -11.848 1.00 0.00 H new ATOM 0 HB2 CYS A 68 -4.225 -2.882 -8.905 1.00 0.00 H new ATOM 0 HB3 CYS A 68 -3.759 -4.261 -9.881 1.00 0.00 H new ATOM 0 HG CYS A 68 -1.783 -1.976 -9.617 1.00 0.00 H new ATOM 1052 N PRO A 69 -6.450 -5.044 -10.805 1.00 0.00 N ATOM 1053 CA PRO A 69 -7.523 -5.981 -10.406 1.00 0.00 C ATOM 1054 C PRO A 69 -7.227 -6.584 -9.030 1.00 0.00 C ATOM 1055 O PRO A 69 -6.958 -7.759 -8.918 1.00 0.00 O ATOM 1056 CB PRO A 69 -7.484 -7.054 -11.484 1.00 0.00 C ATOM 1057 CG PRO A 69 -6.097 -7.006 -12.055 1.00 0.00 C ATOM 1058 CD PRO A 69 -5.514 -5.645 -11.760 1.00 0.00 C ATOM 0 HA PRO A 69 -8.498 -5.500 -10.324 1.00 0.00 H new ATOM 0 HB2 PRO A 69 -7.701 -8.037 -11.066 1.00 0.00 H new ATOM 0 HB3 PRO A 69 -8.231 -6.863 -12.254 1.00 0.00 H new ATOM 0 HG2 PRO A 69 -5.478 -7.788 -11.616 1.00 0.00 H new ATOM 0 HG3 PRO A 69 -6.122 -7.184 -13.130 1.00 0.00 H new ATOM 0 HD2 PRO A 69 -4.513 -5.725 -11.337 1.00 0.00 H new ATOM 0 HD3 PRO A 69 -5.430 -5.044 -12.666 1.00 0.00 H new ATOM 1066 N VAL A 70 -7.314 -5.774 -8.002 1.00 0.00 N ATOM 1067 CA VAL A 70 -7.075 -6.226 -6.585 1.00 0.00 C ATOM 1068 C VAL A 70 -6.071 -7.407 -6.502 1.00 0.00 C ATOM 1069 O VAL A 70 -5.297 -7.615 -7.410 1.00 0.00 O ATOM 1070 CB VAL A 70 -8.486 -6.579 -6.061 1.00 0.00 C ATOM 1071 CG1 VAL A 70 -8.991 -7.888 -6.668 1.00 0.00 C ATOM 1072 CG2 VAL A 70 -8.473 -6.699 -4.537 1.00 0.00 C ATOM 0 H VAL A 70 -7.548 -4.785 -8.086 1.00 0.00 H new ATOM 0 HA VAL A 70 -6.602 -5.458 -5.974 1.00 0.00 H new ATOM 0 HB VAL A 70 -9.159 -5.775 -6.358 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -9.985 -8.109 -6.280 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -9.038 -7.792 -7.753 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -8.310 -8.698 -6.404 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -9.473 -6.948 -4.183 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -7.777 -7.484 -4.240 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -8.159 -5.751 -4.100 1.00 0.00 H new ATOM 1082 N LEU A 71 -5.875 -7.944 -5.306 1.00 0.00 N ATOM 1083 CA LEU A 71 -4.698 -8.842 -5.003 1.00 0.00 C ATOM 1084 C LEU A 71 -3.507 -8.622 -5.944 1.00 0.00 C ATOM 1085 O LEU A 71 -2.773 -9.537 -6.255 1.00 0.00 O ATOM 1086 CB LEU A 71 -5.203 -10.308 -5.021 1.00 0.00 C ATOM 1087 CG LEU A 71 -5.780 -10.770 -6.379 1.00 0.00 C ATOM 1088 CD1 LEU A 71 -7.056 -10.007 -6.711 1.00 0.00 C ATOM 1089 CD2 LEU A 71 -4.763 -10.604 -7.511 1.00 0.00 C ATOM 0 H LEU A 71 -6.497 -7.792 -4.512 1.00 0.00 H new ATOM 0 HA LEU A 71 -4.306 -8.594 -4.017 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -4.378 -10.966 -4.748 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -5.971 -10.424 -4.256 1.00 0.00 H new ATOM 0 HG LEU A 71 -6.014 -11.831 -6.287 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -7.445 -10.348 -7.671 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -7.799 -10.186 -5.934 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -6.838 -8.940 -6.766 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -5.205 -10.939 -8.449 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -4.482 -9.554 -7.597 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -3.877 -11.200 -7.294 1.00 0.00 H new ATOM 1101 N GLU A 72 -3.204 -7.390 -6.249 1.00 0.00 N ATOM 1102 CA GLU A 72 -1.949 -7.096 -6.999 1.00 0.00 C ATOM 1103 C GLU A 72 -1.215 -5.921 -6.347 1.00 0.00 C ATOM 1104 O GLU A 72 -1.603 -4.781 -6.510 1.00 0.00 O ATOM 1105 CB GLU A 72 -2.398 -6.734 -8.414 1.00 0.00 C ATOM 1106 CG GLU A 72 -1.177 -6.697 -9.336 1.00 0.00 C ATOM 1107 CD GLU A 72 -1.600 -7.053 -10.762 1.00 0.00 C ATOM 1108 OE1 GLU A 72 -2.182 -8.110 -10.940 1.00 0.00 O ATOM 1109 OE2 GLU A 72 -1.333 -6.263 -11.652 1.00 0.00 O ATOM 0 H GLU A 72 -3.770 -6.575 -6.012 1.00 0.00 H new ATOM 0 HA GLU A 72 -1.262 -7.942 -7.002 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -3.121 -7.465 -8.777 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -2.897 -5.765 -8.413 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -0.724 -5.706 -9.317 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -0.421 -7.399 -8.984 1.00 0.00 H new ATOM 1116 N PRO A 73 -0.208 -6.245 -5.583 1.00 0.00 N ATOM 1117 CA PRO A 73 0.546 -5.209 -4.840 1.00 0.00 C ATOM 1118 C PRO A 73 0.897 -4.041 -5.763 1.00 0.00 C ATOM 1119 O PRO A 73 1.769 -4.139 -6.604 1.00 0.00 O ATOM 1120 CB PRO A 73 1.800 -5.940 -4.374 1.00 0.00 C ATOM 1121 CG PRO A 73 1.420 -7.388 -4.336 1.00 0.00 C ATOM 1122 CD PRO A 73 0.317 -7.594 -5.345 1.00 0.00 C ATOM 0 HA PRO A 73 -0.017 -4.779 -4.012 1.00 0.00 H new ATOM 0 HB2 PRO A 73 2.632 -5.769 -5.057 1.00 0.00 H new ATOM 0 HB3 PRO A 73 2.117 -5.590 -3.392 1.00 0.00 H new ATOM 0 HG2 PRO A 73 2.279 -8.016 -4.573 1.00 0.00 H new ATOM 0 HG3 PRO A 73 1.084 -7.670 -3.338 1.00 0.00 H new ATOM 0 HD2 PRO A 73 0.696 -8.042 -6.264 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -0.455 -8.260 -4.961 1.00 0.00 H new ATOM 1130 N THR A 74 0.194 -2.949 -5.639 1.00 0.00 N ATOM 1131 CA THR A 74 0.450 -1.786 -6.537 1.00 0.00 C ATOM 1132 C THR A 74 1.327 -0.748 -5.833 1.00 0.00 C ATOM 1133 O THR A 74 1.062 -0.353 -4.716 1.00 0.00 O ATOM 1134 CB THR A 74 -0.932 -1.204 -6.826 1.00 0.00 C ATOM 1135 OG1 THR A 74 -1.772 -2.220 -7.353 1.00 0.00 O ATOM 1136 CG2 THR A 74 -0.804 -0.065 -7.838 1.00 0.00 C ATOM 0 H THR A 74 -0.548 -2.811 -4.953 1.00 0.00 H new ATOM 0 HA THR A 74 0.975 -2.077 -7.447 1.00 0.00 H new ATOM 0 HB THR A 74 -1.366 -0.819 -5.903 1.00 0.00 H new ATOM 0 HG1 THR A 74 -1.486 -3.092 -7.009 1.00 0.00 H new ATOM 0 HG21 THR A 74 -1.790 0.351 -8.045 1.00 0.00 H new ATOM 0 HG22 THR A 74 -0.160 0.714 -7.430 1.00 0.00 H new ATOM 0 HG23 THR A 74 -0.370 -0.447 -8.762 1.00 0.00 H new ATOM 1144 N GLY A 75 2.327 -0.248 -6.507 1.00 0.00 N ATOM 1145 CA GLY A 75 3.164 0.826 -5.905 1.00 0.00 C ATOM 1146 C GLY A 75 4.647 0.530 -6.161 1.00 0.00 C ATOM 1147 O GLY A 75 4.973 -0.365 -6.916 1.00 0.00 O ATOM 0 H GLY A 75 2.599 -0.537 -7.447 1.00 0.00 H new ATOM 0 HA2 GLY A 75 2.897 1.792 -6.334 1.00 0.00 H new ATOM 0 HA3 GLY A 75 2.976 0.890 -4.833 1.00 0.00 H new ATOM 1151 N PRO A 76 5.506 1.319 -5.555 1.00 0.00 N ATOM 1152 CA PRO A 76 5.062 2.405 -4.637 1.00 0.00 C ATOM 1153 C PRO A 76 4.384 3.527 -5.430 1.00 0.00 C ATOM 1154 O PRO A 76 4.887 3.975 -6.441 1.00 0.00 O ATOM 1155 CB PRO A 76 6.360 2.883 -3.993 1.00 0.00 C ATOM 1156 CG PRO A 76 7.433 2.514 -4.969 1.00 0.00 C ATOM 1157 CD PRO A 76 6.968 1.269 -5.678 1.00 0.00 C ATOM 0 HA PRO A 76 4.330 2.077 -3.899 1.00 0.00 H new ATOM 0 HB2 PRO A 76 6.340 3.958 -3.815 1.00 0.00 H new ATOM 0 HB3 PRO A 76 6.522 2.403 -3.028 1.00 0.00 H new ATOM 0 HG2 PRO A 76 7.604 3.323 -5.680 1.00 0.00 H new ATOM 0 HG3 PRO A 76 8.378 2.336 -4.456 1.00 0.00 H new ATOM 0 HD2 PRO A 76 7.281 1.263 -6.722 1.00 0.00 H new ATOM 0 HD3 PRO A 76 7.377 0.370 -5.217 1.00 0.00 H new ATOM 1165 N LEU A 77 3.200 3.912 -5.034 1.00 0.00 N ATOM 1166 CA LEU A 77 2.436 4.922 -5.828 1.00 0.00 C ATOM 1167 C LEU A 77 2.653 6.329 -5.268 1.00 0.00 C ATOM 1168 O LEU A 77 2.972 6.506 -4.110 1.00 0.00 O ATOM 1169 CB LEU A 77 0.971 4.517 -5.683 1.00 0.00 C ATOM 1170 CG LEU A 77 0.095 5.499 -6.465 1.00 0.00 C ATOM 1171 CD1 LEU A 77 0.466 5.448 -7.948 1.00 0.00 C ATOM 1172 CD2 LEU A 77 -1.376 5.119 -6.292 1.00 0.00 C ATOM 0 H LEU A 77 2.728 3.572 -4.196 1.00 0.00 H new ATOM 0 HA LEU A 77 2.758 4.944 -6.869 1.00 0.00 H new ATOM 0 HB2 LEU A 77 0.823 3.504 -6.056 1.00 0.00 H new ATOM 0 HB3 LEU A 77 0.685 4.514 -4.631 1.00 0.00 H new ATOM 0 HG LEU A 77 0.256 6.509 -6.087 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -0.158 6.148 -8.504 1.00 0.00 H new ATOM 0 HD12 LEU A 77 1.514 5.721 -8.070 1.00 0.00 H new ATOM 0 HD13 LEU A 77 0.307 4.439 -8.328 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -2.000 5.818 -6.849 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -1.538 4.109 -6.669 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -1.640 5.159 -5.235 1.00 0.00 H new ATOM 1184 N HIS A 78 2.475 7.331 -6.083 1.00 0.00 N ATOM 1185 CA HIS A 78 2.665 8.730 -5.607 1.00 0.00 C ATOM 1186 C HIS A 78 1.528 9.135 -4.662 1.00 0.00 C ATOM 1187 O HIS A 78 0.373 9.155 -5.038 1.00 0.00 O ATOM 1188 CB HIS A 78 2.630 9.581 -6.875 1.00 0.00 C ATOM 1189 CG HIS A 78 2.979 11.005 -6.537 1.00 0.00 C ATOM 1190 ND1 HIS A 78 4.199 11.566 -6.876 1.00 0.00 N ATOM 1191 CD2 HIS A 78 2.277 11.993 -5.892 1.00 0.00 C ATOM 1192 CE1 HIS A 78 4.194 12.839 -6.439 1.00 0.00 C ATOM 1193 NE2 HIS A 78 3.047 13.151 -5.832 1.00 0.00 N ATOM 0 H HIS A 78 2.205 7.241 -7.062 1.00 0.00 H new ATOM 0 HA HIS A 78 3.595 8.853 -5.051 1.00 0.00 H new ATOM 0 HB2 HIS A 78 3.334 9.188 -7.609 1.00 0.00 H new ATOM 0 HB3 HIS A 78 1.640 9.536 -7.328 1.00 0.00 H new ATOM 0 HD2 HIS A 78 1.279 11.888 -5.492 1.00 0.00 H new ATOM 0 HE1 HIS A 78 5.019 13.525 -6.564 1.00 0.00 H new ATOM 0 HE2 HIS A 78 2.790 14.045 -5.414 1.00 0.00 H new ATOM 1201 N THR A 79 1.859 9.555 -3.471 1.00 0.00 N ATOM 1202 CA THR A 79 0.814 10.072 -2.541 1.00 0.00 C ATOM 1203 C THR A 79 1.351 11.293 -1.787 1.00 0.00 C ATOM 1204 O THR A 79 2.544 11.499 -1.696 1.00 0.00 O ATOM 1205 CB THR A 79 0.523 8.923 -1.574 1.00 0.00 C ATOM 1206 OG1 THR A 79 -0.564 9.280 -0.733 1.00 0.00 O ATOM 1207 CG2 THR A 79 1.760 8.640 -0.721 1.00 0.00 C ATOM 0 H THR A 79 2.810 9.562 -3.101 1.00 0.00 H new ATOM 0 HA THR A 79 -0.088 10.387 -3.066 1.00 0.00 H new ATOM 0 HB THR A 79 0.267 8.028 -2.141 1.00 0.00 H new ATOM 0 HG1 THR A 79 -0.989 8.468 -0.386 1.00 0.00 H new ATOM 0 HG21 THR A 79 1.548 7.821 -0.034 1.00 0.00 H new ATOM 0 HG22 THR A 79 2.593 8.365 -1.368 1.00 0.00 H new ATOM 0 HG23 THR A 79 2.022 9.532 -0.152 1.00 0.00 H new ATOM 1215 N GLN A 80 0.483 12.142 -1.314 1.00 0.00 N ATOM 1216 CA GLN A 80 0.951 13.396 -0.652 1.00 0.00 C ATOM 1217 C GLN A 80 1.824 13.078 0.570 1.00 0.00 C ATOM 1218 O GLN A 80 2.718 13.828 0.911 1.00 0.00 O ATOM 1219 CB GLN A 80 -0.325 14.130 -0.233 1.00 0.00 C ATOM 1220 CG GLN A 80 -1.042 14.647 -1.481 1.00 0.00 C ATOM 1221 CD GLN A 80 -2.322 15.385 -1.077 1.00 0.00 C ATOM 1222 OE1 GLN A 80 -2.882 16.123 -1.863 1.00 0.00 O ATOM 1223 NE2 GLN A 80 -2.816 15.219 0.122 1.00 0.00 N ATOM 0 H GLN A 80 -0.529 12.024 -1.356 1.00 0.00 H new ATOM 0 HA GLN A 80 1.567 14.000 -1.319 1.00 0.00 H new ATOM 0 HB2 GLN A 80 -0.978 13.459 0.324 1.00 0.00 H new ATOM 0 HB3 GLN A 80 -0.080 14.960 0.430 1.00 0.00 H new ATOM 0 HG2 GLN A 80 -0.386 15.316 -2.037 1.00 0.00 H new ATOM 0 HG3 GLN A 80 -1.284 13.816 -2.143 1.00 0.00 H new ATOM 0 HE21 GLN A 80 -2.349 14.600 0.785 1.00 0.00 H new ATOM 0 HE22 GLN A 80 -3.669 15.708 0.395 1.00 0.00 H new ATOM 1232 N PHE A 81 1.560 11.994 1.248 1.00 0.00 N ATOM 1233 CA PHE A 81 2.362 11.660 2.463 1.00 0.00 C ATOM 1234 C PHE A 81 3.738 11.124 2.062 1.00 0.00 C ATOM 1235 O PHE A 81 4.579 10.856 2.897 1.00 0.00 O ATOM 1236 CB PHE A 81 1.559 10.576 3.182 1.00 0.00 C ATOM 1237 CG PHE A 81 0.291 11.173 3.744 1.00 0.00 C ATOM 1238 CD1 PHE A 81 0.336 11.939 4.918 1.00 0.00 C ATOM 1239 CD2 PHE A 81 -0.934 10.960 3.093 1.00 0.00 C ATOM 1240 CE1 PHE A 81 -0.841 12.493 5.440 1.00 0.00 C ATOM 1241 CE2 PHE A 81 -2.111 11.513 3.616 1.00 0.00 C ATOM 1242 CZ PHE A 81 -2.065 12.279 4.790 1.00 0.00 C ATOM 0 H PHE A 81 0.826 11.326 1.015 1.00 0.00 H new ATOM 0 HA PHE A 81 2.532 12.532 3.094 1.00 0.00 H new ATOM 0 HB2 PHE A 81 1.317 9.769 2.490 1.00 0.00 H new ATOM 0 HB3 PHE A 81 2.154 10.140 3.984 1.00 0.00 H new ATOM 0 HD1 PHE A 81 1.278 12.102 5.420 1.00 0.00 H new ATOM 0 HD2 PHE A 81 -0.970 10.370 2.189 1.00 0.00 H new ATOM 0 HE1 PHE A 81 -0.805 13.085 6.343 1.00 0.00 H new ATOM 0 HE2 PHE A 81 -3.054 11.349 3.115 1.00 0.00 H new ATOM 0 HZ PHE A 81 -2.972 12.704 5.193 1.00 0.00 H new ATOM 1252 N GLY A 82 3.937 10.874 0.797 1.00 0.00 N ATOM 1253 CA GLY A 82 5.211 10.248 0.349 1.00 0.00 C ATOM 1254 C GLY A 82 4.894 9.193 -0.712 1.00 0.00 C ATOM 1255 O GLY A 82 4.081 9.409 -1.588 1.00 0.00 O ATOM 0 H GLY A 82 3.270 11.077 0.053 1.00 0.00 H new ATOM 0 HA2 GLY A 82 5.881 11.005 -0.059 1.00 0.00 H new ATOM 0 HA3 GLY A 82 5.725 9.791 1.195 1.00 0.00 H new ATOM 1259 N TYR A 83 5.459 8.024 -0.591 1.00 0.00 N ATOM 1260 CA TYR A 83 5.105 6.929 -1.541 1.00 0.00 C ATOM 1261 C TYR A 83 4.253 5.872 -0.832 1.00 0.00 C ATOM 1262 O TYR A 83 4.666 5.287 0.148 1.00 0.00 O ATOM 1263 CB TYR A 83 6.442 6.339 -1.987 1.00 0.00 C ATOM 1264 CG TYR A 83 7.225 7.392 -2.735 1.00 0.00 C ATOM 1265 CD1 TYR A 83 7.046 7.548 -4.116 1.00 0.00 C ATOM 1266 CD2 TYR A 83 8.128 8.214 -2.047 1.00 0.00 C ATOM 1267 CE1 TYR A 83 7.772 8.528 -4.811 1.00 0.00 C ATOM 1268 CE2 TYR A 83 8.853 9.192 -2.740 1.00 0.00 C ATOM 1269 CZ TYR A 83 8.675 9.350 -4.121 1.00 0.00 C ATOM 1270 OH TYR A 83 9.389 10.313 -4.804 1.00 0.00 O ATOM 0 H TYR A 83 6.147 7.779 0.121 1.00 0.00 H new ATOM 0 HA TYR A 83 4.521 7.288 -2.389 1.00 0.00 H new ATOM 0 HB2 TYR A 83 7.008 5.994 -1.121 1.00 0.00 H new ATOM 0 HB3 TYR A 83 6.275 5.471 -2.625 1.00 0.00 H new ATOM 0 HD1 TYR A 83 6.350 6.915 -4.645 1.00 0.00 H new ATOM 0 HD2 TYR A 83 8.265 8.093 -0.983 1.00 0.00 H new ATOM 0 HE1 TYR A 83 7.635 8.649 -5.875 1.00 0.00 H new ATOM 0 HE2 TYR A 83 9.549 9.825 -2.210 1.00 0.00 H new ATOM 0 HH TYR A 83 9.969 10.796 -4.178 1.00 0.00 H new ATOM 1280 N HIS A 84 3.105 5.561 -1.370 1.00 0.00 N ATOM 1281 CA HIS A 84 2.277 4.469 -0.773 1.00 0.00 C ATOM 1282 C HIS A 84 2.317 3.226 -1.660 1.00 0.00 C ATOM 1283 O HIS A 84 1.812 3.236 -2.764 1.00 0.00 O ATOM 1284 CB HIS A 84 0.843 5.006 -0.711 1.00 0.00 C ATOM 1285 CG HIS A 84 0.693 5.956 0.445 1.00 0.00 C ATOM 1286 ND1 HIS A 84 -0.377 6.831 0.544 1.00 0.00 N ATOM 1287 CD2 HIS A 84 1.460 6.174 1.563 1.00 0.00 C ATOM 1288 CE1 HIS A 84 -0.228 7.528 1.683 1.00 0.00 C ATOM 1289 NE2 HIS A 84 0.876 7.167 2.344 1.00 0.00 N ATOM 0 H HIS A 84 2.704 6.012 -2.193 1.00 0.00 H new ATOM 0 HA HIS A 84 2.650 4.189 0.212 1.00 0.00 H new ATOM 0 HB2 HIS A 84 0.597 5.515 -1.643 1.00 0.00 H new ATOM 0 HB3 HIS A 84 0.141 4.179 -0.604 1.00 0.00 H new ATOM 0 HD2 HIS A 84 2.377 5.654 1.800 1.00 0.00 H new ATOM 0 HE1 HIS A 84 -0.917 8.287 2.023 1.00 0.00 H new ATOM 0 HE2 HIS A 84 1.217 7.539 3.230 1.00 0.00 H new ATOM 1297 N ILE A 85 2.707 2.108 -1.114 1.00 0.00 N ATOM 1298 CA ILE A 85 2.519 0.837 -1.871 1.00 0.00 C ATOM 1299 C ILE A 85 1.406 0.014 -1.215 1.00 0.00 C ATOM 1300 O ILE A 85 1.330 -0.075 -0.005 1.00 0.00 O ATOM 1301 CB ILE A 85 3.866 0.111 -1.810 1.00 0.00 C ATOM 1302 CG1 ILE A 85 3.910 -0.961 -2.902 1.00 0.00 C ATOM 1303 CG2 ILE A 85 4.037 -0.553 -0.444 1.00 0.00 C ATOM 1304 CD1 ILE A 85 5.365 -1.265 -3.263 1.00 0.00 C ATOM 0 H ILE A 85 3.140 2.018 -0.195 1.00 0.00 H new ATOM 0 HA ILE A 85 2.223 1.006 -2.906 1.00 0.00 H new ATOM 0 HB ILE A 85 4.671 0.830 -1.963 1.00 0.00 H new ATOM 0 HG12 ILE A 85 3.413 -1.868 -2.556 1.00 0.00 H new ATOM 0 HG13 ILE A 85 3.370 -0.618 -3.784 1.00 0.00 H new ATOM 0 HG21 ILE A 85 4.997 -1.068 -0.407 1.00 0.00 H new ATOM 0 HG22 ILE A 85 4.002 0.207 0.337 1.00 0.00 H new ATOM 0 HG23 ILE A 85 3.233 -1.272 -0.286 1.00 0.00 H new ATOM 0 HD11 ILE A 85 5.395 -2.028 -4.040 1.00 0.00 H new ATOM 0 HD12 ILE A 85 5.847 -0.357 -3.627 1.00 0.00 H new ATOM 0 HD13 ILE A 85 5.891 -1.626 -2.379 1.00 0.00 H new ATOM 1316 N ILE A 86 0.417 -0.362 -1.981 1.00 0.00 N ATOM 1317 CA ILE A 86 -0.828 -0.908 -1.364 1.00 0.00 C ATOM 1318 C ILE A 86 -1.113 -2.340 -1.830 1.00 0.00 C ATOM 1319 O ILE A 86 -1.303 -2.590 -3.003 1.00 0.00 O ATOM 1320 CB ILE A 86 -1.935 0.029 -1.839 1.00 0.00 C ATOM 1321 CG1 ILE A 86 -1.641 1.451 -1.360 1.00 0.00 C ATOM 1322 CG2 ILE A 86 -3.277 -0.438 -1.271 1.00 0.00 C ATOM 1323 CD1 ILE A 86 -2.606 2.427 -2.036 1.00 0.00 C ATOM 0 H ILE A 86 0.416 -0.316 -3.000 1.00 0.00 H new ATOM 0 HA ILE A 86 -0.746 -0.956 -0.278 1.00 0.00 H new ATOM 0 HB ILE A 86 -1.979 0.017 -2.928 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -1.747 1.510 -0.277 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -0.611 1.720 -1.595 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -4.068 0.231 -1.610 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -3.485 -1.451 -1.616 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -3.235 -0.427 -0.182 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -2.397 3.441 -1.695 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -2.478 2.375 -3.117 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -3.631 2.162 -1.778 1.00 0.00 H new ATOM 1335 N LYS A 87 -1.375 -3.221 -0.901 1.00 0.00 N ATOM 1336 CA LYS A 87 -1.920 -4.558 -1.280 1.00 0.00 C ATOM 1337 C LYS A 87 -3.449 -4.511 -1.222 1.00 0.00 C ATOM 1338 O LYS A 87 -4.018 -4.058 -0.249 1.00 0.00 O ATOM 1339 CB LYS A 87 -1.385 -5.526 -0.224 1.00 0.00 C ATOM 1340 CG LYS A 87 0.096 -5.248 0.026 1.00 0.00 C ATOM 1341 CD LYS A 87 0.811 -6.559 0.357 1.00 0.00 C ATOM 1342 CE LYS A 87 0.520 -6.946 1.810 1.00 0.00 C ATOM 1343 NZ LYS A 87 1.432 -6.099 2.639 1.00 0.00 N ATOM 0 H LYS A 87 -1.236 -3.074 0.099 1.00 0.00 H new ATOM 0 HA LYS A 87 -1.629 -4.859 -2.287 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -1.947 -5.415 0.703 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -1.521 -6.555 -0.558 1.00 0.00 H new ATOM 0 HG2 LYS A 87 0.545 -4.789 -0.855 1.00 0.00 H new ATOM 0 HG3 LYS A 87 0.211 -4.541 0.848 1.00 0.00 H new ATOM 0 HD2 LYS A 87 0.475 -7.349 -0.315 1.00 0.00 H new ATOM 0 HD3 LYS A 87 1.885 -6.448 0.207 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -0.524 -6.763 2.063 1.00 0.00 H new ATOM 0 HE3 LYS A 87 0.708 -8.006 1.979 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 2.216 -6.681 2.997 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 1.812 -5.325 2.057 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 0.903 -5.701 3.441 1.00 0.00 H new ATOM 1357 N VAL A 88 -4.119 -4.893 -2.277 1.00 0.00 N ATOM 1358 CA VAL A 88 -5.608 -4.772 -2.291 1.00 0.00 C ATOM 1359 C VAL A 88 -6.259 -6.159 -2.231 1.00 0.00 C ATOM 1360 O VAL A 88 -5.895 -7.056 -2.964 1.00 0.00 O ATOM 1361 CB VAL A 88 -5.935 -4.085 -3.618 1.00 0.00 C ATOM 1362 CG1 VAL A 88 -7.449 -3.901 -3.737 1.00 0.00 C ATOM 1363 CG2 VAL A 88 -5.248 -2.719 -3.672 1.00 0.00 C ATOM 0 H VAL A 88 -3.704 -5.281 -3.124 1.00 0.00 H new ATOM 0 HA VAL A 88 -5.983 -4.211 -1.435 1.00 0.00 H new ATOM 0 HB VAL A 88 -5.578 -4.702 -4.443 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -7.683 -3.411 -4.682 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -7.938 -4.875 -3.702 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -7.807 -3.286 -2.912 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -5.482 -2.231 -4.618 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -5.602 -2.101 -2.847 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -4.169 -2.851 -3.589 1.00 0.00 H new ATOM 1373 N LEU A 89 -7.196 -6.349 -1.340 1.00 0.00 N ATOM 1374 CA LEU A 89 -7.841 -7.677 -1.202 1.00 0.00 C ATOM 1375 C LEU A 89 -9.346 -7.510 -0.970 1.00 0.00 C ATOM 1376 O LEU A 89 -9.939 -6.521 -1.355 1.00 0.00 O ATOM 1377 CB LEU A 89 -7.180 -8.302 0.027 1.00 0.00 C ATOM 1378 CG LEU A 89 -5.669 -8.381 -0.192 1.00 0.00 C ATOM 1379 CD1 LEU A 89 -5.004 -8.950 1.063 1.00 0.00 C ATOM 1380 CD2 LEU A 89 -5.372 -9.294 -1.384 1.00 0.00 C ATOM 0 H LEU A 89 -7.541 -5.633 -0.700 1.00 0.00 H new ATOM 0 HA LEU A 89 -7.722 -8.293 -2.093 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -7.399 -7.707 0.913 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -7.585 -9.298 0.204 1.00 0.00 H new ATOM 0 HG LEU A 89 -5.278 -7.384 -0.393 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -3.926 -9.007 0.910 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -5.215 -8.301 1.913 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -5.396 -9.948 1.262 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -4.295 -9.350 -1.540 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -5.762 -10.292 -1.184 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -5.847 -8.891 -2.278 1.00 0.00 H new ATOM 1392 N TYR A 90 -9.953 -8.486 -0.353 1.00 0.00 N ATOM 1393 CA TYR A 90 -11.432 -8.460 -0.096 1.00 0.00 C ATOM 1394 C TYR A 90 -12.181 -7.731 -1.223 1.00 0.00 C ATOM 1395 O TYR A 90 -12.565 -8.332 -2.205 1.00 0.00 O ATOM 1396 CB TYR A 90 -11.589 -7.722 1.236 1.00 0.00 C ATOM 1397 CG TYR A 90 -11.137 -8.620 2.362 1.00 0.00 C ATOM 1398 CD1 TYR A 90 -9.792 -9.002 2.455 1.00 0.00 C ATOM 1399 CD2 TYR A 90 -12.063 -9.074 3.312 1.00 0.00 C ATOM 1400 CE1 TYR A 90 -9.371 -9.836 3.499 1.00 0.00 C ATOM 1401 CE2 TYR A 90 -11.641 -9.908 4.357 1.00 0.00 C ATOM 1402 CZ TYR A 90 -10.295 -10.289 4.450 1.00 0.00 C ATOM 1403 OH TYR A 90 -9.880 -11.111 5.479 1.00 0.00 O ATOM 0 H TYR A 90 -9.481 -9.321 -0.007 1.00 0.00 H new ATOM 0 HA TYR A 90 -11.855 -9.464 -0.059 1.00 0.00 H new ATOM 0 HB2 TYR A 90 -11.000 -6.805 1.228 1.00 0.00 H new ATOM 0 HB3 TYR A 90 -12.629 -7.431 1.383 1.00 0.00 H new ATOM 0 HD1 TYR A 90 -9.080 -8.653 1.722 1.00 0.00 H new ATOM 0 HD2 TYR A 90 -13.100 -8.782 3.239 1.00 0.00 H new ATOM 0 HE1 TYR A 90 -8.334 -10.130 3.571 1.00 0.00 H new ATOM 0 HE2 TYR A 90 -12.353 -10.257 5.090 1.00 0.00 H new ATOM 0 HH TYR A 90 -10.645 -11.332 6.050 1.00 0.00 H new ATOM 1413 N ARG A 91 -12.349 -6.439 -1.119 1.00 0.00 N ATOM 1414 CA ARG A 91 -13.022 -5.686 -2.218 1.00 0.00 C ATOM 1415 C ARG A 91 -14.439 -6.217 -2.446 1.00 0.00 C ATOM 1416 O ARG A 91 -14.856 -6.443 -3.565 1.00 0.00 O ATOM 1417 CB ARG A 91 -12.154 -5.929 -3.447 1.00 0.00 C ATOM 1418 CG ARG A 91 -12.601 -5.008 -4.583 1.00 0.00 C ATOM 1419 CD ARG A 91 -12.254 -3.559 -4.235 1.00 0.00 C ATOM 1420 NE ARG A 91 -12.650 -2.776 -5.439 1.00 0.00 N ATOM 1421 CZ ARG A 91 -11.936 -2.845 -6.531 1.00 0.00 C ATOM 1422 NH1 ARG A 91 -10.871 -3.602 -6.575 1.00 0.00 N ATOM 1423 NH2 ARG A 91 -12.289 -2.158 -7.583 1.00 0.00 N ATOM 0 H ARG A 91 -12.051 -5.874 -0.324 1.00 0.00 H new ATOM 0 HA ARG A 91 -13.121 -4.625 -1.988 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -11.107 -5.745 -3.207 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -12.231 -6.971 -3.759 1.00 0.00 H new ATOM 0 HG2 ARG A 91 -12.111 -5.297 -5.513 1.00 0.00 H new ATOM 0 HG3 ARG A 91 -13.674 -5.107 -4.744 1.00 0.00 H new ATOM 0 HD2 ARG A 91 -12.794 -3.224 -3.349 1.00 0.00 H new ATOM 0 HD3 ARG A 91 -11.191 -3.447 -4.021 1.00 0.00 H new ATOM 0 HE ARG A 91 -13.481 -2.185 -5.411 1.00 0.00 H new ATOM 0 HH11 ARG A 91 -10.595 -4.142 -5.755 1.00 0.00 H new ATOM 0 HH12 ARG A 91 -10.316 -3.653 -7.430 1.00 0.00 H new ATOM 0 HH21 ARG A 91 -13.121 -1.569 -7.552 1.00 0.00 H new ATOM 0 HH22 ARG A 91 -11.733 -2.210 -8.437 1.00 0.00 H new