USER MOD reduce.3.24.130724 H: found=0, std=0, add=664, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 667 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 82 CYS SG : rot 40:sc= -1.27 USER MOD Set 1.2: A 88 LYS NZ :NH3+ 165:sc= -0.17 (180deg=-0.735) USER MOD Set 2.1: A 33 SER OG : rot 180:sc= -0.0993 USER MOD Set 2.2: A 34 GLN : amide:sc= -1.72 X(o=-1.8,f=-1.7) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 26 HIS : no HD1:sc= -0.959 K(o=-0.96,f=-0.24) USER MOD Single : A 27 MET CE :methyl 167:sc= -0.448 (180deg=-0.9) USER MOD Single : A 28 ASN : amide:sc= -0.425 X(o=-0.42,f=-0.12) USER MOD Single : A 29 ASN : amide:sc= -1.96 K(o=-2,f=-0.77) USER MOD Single : A 36 SER OG : rot 180:sc= -0.088 USER MOD Single : A 42 THR OG1 : rot 86:sc= 1.19 USER MOD Single : A 44 CYS SG : rot 116:sc= -1.37 USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 47 THR OG1 : rot -54:sc= 1.18 USER MOD Single : A 53 THR OG1 : rot 180:sc= -0.12 USER MOD Single : A 57 CYS SG : rot 180:sc= -0.254 USER MOD Single : A 58 GLN : amide:sc= -0.254 X(o=-0.25,f=-0.058) USER MOD Single : A 63 ASN : amide:sc= 0.00158 X(o=0.0016,f=0) USER MOD Single : A 74 CYS SG : rot 180:sc= 0 USER MOD Single : A 76 GLN : amide:sc= -0.109 X(o=-0.11,f=-0.073) USER MOD Single : A 78 CYS SG : rot 85:sc= 0.856 USER MOD Single : A 79 GLN : amide:sc= -0.0997 X(o=-0.1,f=0) USER MOD Single : A 87 ASN : amide:sc= 0 K(o=0,f=-0.75) USER MOD Single : A 91 LYS NZ :NH3+ -168:sc= -0.0133 (180deg=-0.192) USER MOD Single : A 93 LYS NZ :NH3+ 165:sc= -0.102 (180deg=-0.533) USER MOD Single : A 97 ASN : amide:sc= 0 K(o=0,f=-0.63) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 MET CE :methyl 162:sc= 0 (180deg=-0.811) USER MOD Single : A 102 SER OG : rot -76:sc= 0.339 USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 24 -17.582 -12.364 -9.827 1.00 0.00 N ATOM 2 CA GLY A 24 -17.155 -13.721 -9.388 1.00 0.00 C ATOM 3 C GLY A 24 -16.363 -13.690 -8.094 1.00 0.00 C ATOM 4 O GLY A 24 -15.761 -14.691 -7.705 1.00 0.00 O ATOM 0 HA2 GLY A 24 -18.035 -14.351 -9.257 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -16.549 -14.179 -10.170 1.00 0.00 H new ATOM 10 N SER A 25 -16.366 -12.537 -7.429 1.00 0.00 N ATOM 11 CA SER A 25 -15.645 -12.368 -6.172 1.00 0.00 C ATOM 12 C SER A 25 -14.157 -12.656 -6.350 1.00 0.00 C ATOM 13 O SER A 25 -13.725 -13.807 -6.292 1.00 0.00 O ATOM 14 CB SER A 25 -16.229 -13.282 -5.091 1.00 0.00 C ATOM 15 OG SER A 25 -17.596 -12.992 -4.861 1.00 0.00 O ATOM 0 H SER A 25 -16.863 -11.703 -7.742 1.00 0.00 H new ATOM 0 HA SER A 25 -15.760 -11.330 -5.859 1.00 0.00 H new ATOM 0 HB2 SER A 25 -16.121 -14.323 -5.394 1.00 0.00 H new ATOM 0 HB3 SER A 25 -15.667 -13.160 -4.165 1.00 0.00 H new ATOM 0 HG SER A 25 -17.945 -13.590 -4.168 1.00 0.00 H new ATOM 21 N HIS A 26 -13.379 -11.601 -6.571 1.00 0.00 N ATOM 22 CA HIS A 26 -11.939 -11.736 -6.760 1.00 0.00 C ATOM 23 C HIS A 26 -11.182 -11.307 -5.506 1.00 0.00 C ATOM 24 O HIS A 26 -9.975 -11.517 -5.396 1.00 0.00 O ATOM 25 CB HIS A 26 -11.480 -10.903 -7.960 1.00 0.00 C ATOM 26 CG HIS A 26 -11.731 -9.435 -7.805 1.00 0.00 C ATOM 27 ND1 HIS A 26 -10.717 -8.505 -7.695 1.00 0.00 N ATOM 28 CD2 HIS A 26 -12.888 -8.734 -7.746 1.00 0.00 C ATOM 29 CE1 HIS A 26 -11.240 -7.298 -7.575 1.00 0.00 C ATOM 30 NE2 HIS A 26 -12.555 -7.409 -7.603 1.00 0.00 N ATOM 0 H HIS A 26 -13.722 -10.642 -6.624 1.00 0.00 H new ATOM 0 HA HIS A 26 -11.720 -12.786 -6.952 1.00 0.00 H new ATOM 0 HB2 HIS A 26 -10.414 -11.066 -8.117 1.00 0.00 H new ATOM 0 HB3 HIS A 26 -11.992 -11.258 -8.854 1.00 0.00 H new ATOM 0 HD2 HIS A 26 -13.887 -9.141 -7.801 1.00 0.00 H new ATOM 0 HE1 HIS A 26 -10.686 -6.377 -7.472 1.00 0.00 H new ATOM 0 HE2 HIS A 26 -13.217 -6.636 -7.530 1.00 0.00 H new ATOM 39 N MET A 27 -11.903 -10.705 -4.564 1.00 0.00 N ATOM 40 CA MET A 27 -11.302 -10.249 -3.314 1.00 0.00 C ATOM 41 C MET A 27 -11.809 -11.070 -2.135 1.00 0.00 C ATOM 42 O MET A 27 -12.988 -11.009 -1.785 1.00 0.00 O ATOM 43 CB MET A 27 -11.608 -8.767 -3.085 1.00 0.00 C ATOM 44 CG MET A 27 -10.972 -7.845 -4.113 1.00 0.00 C ATOM 45 SD MET A 27 -9.474 -7.043 -3.504 1.00 0.00 S ATOM 46 CE MET A 27 -8.400 -8.454 -3.256 1.00 0.00 C ATOM 0 H MET A 27 -12.903 -10.522 -4.642 1.00 0.00 H new ATOM 0 HA MET A 27 -10.223 -10.383 -3.391 1.00 0.00 H new ATOM 0 HB2 MET A 27 -12.688 -8.622 -3.099 1.00 0.00 H new ATOM 0 HB3 MET A 27 -11.261 -8.483 -2.091 1.00 0.00 H new ATOM 0 HG2 MET A 27 -10.733 -8.418 -5.009 1.00 0.00 H new ATOM 0 HG3 MET A 27 -11.694 -7.082 -4.405 1.00 0.00 H new ATOM 0 HE1 MET A 27 -7.377 -8.110 -3.106 1.00 0.00 H new ATOM 0 HE2 MET A 27 -8.728 -9.011 -2.379 1.00 0.00 H new ATOM 0 HE3 MET A 27 -8.440 -9.101 -4.133 1.00 0.00 H new ATOM 56 N ASN A 28 -10.911 -11.839 -1.529 1.00 0.00 N ATOM 57 CA ASN A 28 -11.261 -12.673 -0.387 1.00 0.00 C ATOM 58 C ASN A 28 -11.377 -11.831 0.880 1.00 0.00 C ATOM 59 O ASN A 28 -11.903 -12.287 1.897 1.00 0.00 O ATOM 60 CB ASN A 28 -10.214 -13.772 -0.195 1.00 0.00 C ATOM 61 CG ASN A 28 -10.550 -14.704 0.952 1.00 0.00 C ATOM 62 OD1 ASN A 28 -11.235 -15.711 0.768 1.00 0.00 O ATOM 63 ND2 ASN A 28 -10.068 -14.374 2.145 1.00 0.00 N ATOM 0 H ASN A 28 -9.933 -11.901 -1.811 1.00 0.00 H new ATOM 0 HA ASN A 28 -12.228 -13.136 -0.583 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -10.127 -14.351 -1.115 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -9.242 -13.314 -0.013 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -10.261 -14.964 2.954 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -9.505 -13.530 2.252 1.00 0.00 H new ATOM 70 N ASN A 29 -10.883 -10.598 0.810 1.00 0.00 N ATOM 71 CA ASN A 29 -10.928 -9.687 1.949 1.00 0.00 C ATOM 72 C ASN A 29 -11.106 -8.244 1.486 1.00 0.00 C ATOM 73 O ASN A 29 -10.482 -7.813 0.516 1.00 0.00 O ATOM 74 CB ASN A 29 -9.648 -9.816 2.778 1.00 0.00 C ATOM 75 CG ASN A 29 -9.682 -8.968 4.036 1.00 0.00 C ATOM 76 OD1 ASN A 29 -8.650 -8.474 4.492 1.00 0.00 O ATOM 77 ND2 ASN A 29 -10.869 -8.800 4.608 1.00 0.00 N ATOM 0 H ASN A 29 -10.446 -10.207 -0.025 1.00 0.00 H new ATOM 0 HA ASN A 29 -11.784 -9.957 2.567 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -9.500 -10.861 3.052 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -8.793 -9.522 2.169 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -10.951 -8.244 5.459 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -11.699 -9.227 4.196 1.00 0.00 H new ATOM 84 N GLU A 30 -11.961 -7.503 2.184 1.00 0.00 N ATOM 85 CA GLU A 30 -12.223 -6.108 1.841 1.00 0.00 C ATOM 86 C GLU A 30 -11.469 -5.164 2.774 1.00 0.00 C ATOM 87 O GLU A 30 -10.695 -4.319 2.323 1.00 0.00 O ATOM 88 CB GLU A 30 -13.725 -5.819 1.907 1.00 0.00 C ATOM 89 CG GLU A 30 -14.088 -4.389 1.542 1.00 0.00 C ATOM 90 CD GLU A 30 -15.584 -4.144 1.558 1.00 0.00 C ATOM 91 OE1 GLU A 30 -16.114 -3.784 2.630 1.00 0.00 O ATOM 92 OE2 GLU A 30 -16.224 -4.313 0.500 1.00 0.00 O ATOM 0 H GLU A 30 -12.484 -7.844 2.990 1.00 0.00 H new ATOM 0 HA GLU A 30 -11.871 -5.938 0.823 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -14.247 -6.500 1.235 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -14.083 -6.029 2.915 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -13.604 -3.706 2.240 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -13.697 -4.161 0.550 1.00 0.00 H new ATOM 99 N ASP A 31 -11.704 -5.312 4.075 1.00 0.00 N ATOM 100 CA ASP A 31 -11.050 -4.470 5.072 1.00 0.00 C ATOM 101 C ASP A 31 -9.533 -4.629 5.012 1.00 0.00 C ATOM 102 O ASP A 31 -9.019 -5.739 4.884 1.00 0.00 O ATOM 103 CB ASP A 31 -11.558 -4.816 6.473 1.00 0.00 C ATOM 104 CG ASP A 31 -11.383 -6.285 6.805 1.00 0.00 C ATOM 105 OD1 ASP A 31 -10.250 -6.687 7.142 1.00 0.00 O ATOM 106 OD2 ASP A 31 -12.381 -7.033 6.731 1.00 0.00 O ATOM 0 H ASP A 31 -12.342 -6.007 4.463 1.00 0.00 H new ATOM 0 HA ASP A 31 -11.295 -3.431 4.851 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -11.025 -4.214 7.209 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -12.613 -4.552 6.549 1.00 0.00 H new ATOM 111 N PHE A 32 -8.823 -3.508 5.105 1.00 0.00 N ATOM 112 CA PHE A 32 -7.364 -3.517 5.060 1.00 0.00 C ATOM 113 C PHE A 32 -6.771 -3.687 6.455 1.00 0.00 C ATOM 114 O PHE A 32 -5.562 -3.856 6.608 1.00 0.00 O ATOM 115 CB PHE A 32 -6.843 -2.226 4.423 1.00 0.00 C ATOM 116 CG PHE A 32 -7.388 -0.975 5.055 1.00 0.00 C ATOM 117 CD1 PHE A 32 -6.751 -0.395 6.141 1.00 0.00 C ATOM 118 CD2 PHE A 32 -8.538 -0.380 4.561 1.00 0.00 C ATOM 119 CE1 PHE A 32 -7.251 0.756 6.721 1.00 0.00 C ATOM 120 CE2 PHE A 32 -9.043 0.770 5.138 1.00 0.00 C ATOM 121 CZ PHE A 32 -8.399 1.338 6.219 1.00 0.00 C ATOM 0 H PHE A 32 -9.235 -2.581 5.212 1.00 0.00 H new ATOM 0 HA PHE A 32 -7.053 -4.366 4.451 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -5.755 -2.212 4.490 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -7.097 -2.227 3.363 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -5.854 -0.847 6.538 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -9.046 -0.820 3.715 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -6.745 1.200 7.566 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -9.940 1.224 4.744 1.00 0.00 H new ATOM 0 HZ PHE A 32 -8.792 2.236 6.672 1.00 0.00 H new ATOM 131 N SER A 33 -7.629 -3.645 7.468 1.00 0.00 N ATOM 132 CA SER A 33 -7.188 -3.786 8.851 1.00 0.00 C ATOM 133 C SER A 33 -6.696 -5.202 9.138 1.00 0.00 C ATOM 134 O SER A 33 -5.888 -5.413 10.043 1.00 0.00 O ATOM 135 CB SER A 33 -8.325 -3.424 9.807 1.00 0.00 C ATOM 136 OG SER A 33 -9.481 -4.201 9.543 1.00 0.00 O ATOM 0 H SER A 33 -8.635 -3.514 7.358 1.00 0.00 H new ATOM 0 HA SER A 33 -6.354 -3.101 9.007 1.00 0.00 H new ATOM 0 HB2 SER A 33 -8.003 -3.583 10.836 1.00 0.00 H new ATOM 0 HB3 SER A 33 -8.564 -2.365 9.708 1.00 0.00 H new ATOM 0 HG SER A 33 -10.193 -3.952 10.169 1.00 0.00 H new ATOM 142 N GLN A 34 -7.185 -6.170 8.368 1.00 0.00 N ATOM 143 CA GLN A 34 -6.790 -7.564 8.553 1.00 0.00 C ATOM 144 C GLN A 34 -5.754 -7.992 7.517 1.00 0.00 C ATOM 145 O GLN A 34 -5.396 -9.168 7.436 1.00 0.00 O ATOM 146 CB GLN A 34 -8.010 -8.483 8.474 1.00 0.00 C ATOM 147 CG GLN A 34 -8.808 -8.556 9.766 1.00 0.00 C ATOM 148 CD GLN A 34 -9.368 -7.212 10.189 1.00 0.00 C ATOM 149 OE1 GLN A 34 -10.474 -6.836 9.800 1.00 0.00 O ATOM 150 NE2 GLN A 34 -8.607 -6.480 10.995 1.00 0.00 N ATOM 0 H GLN A 34 -7.853 -6.016 7.613 1.00 0.00 H new ATOM 0 HA GLN A 34 -6.341 -7.648 9.542 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -8.663 -8.136 7.673 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -7.681 -9.486 8.204 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -9.628 -9.263 9.641 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -8.170 -8.945 10.560 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -7.696 -6.830 11.293 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -8.933 -5.568 11.315 1.00 0.00 H new ATOM 159 N TRP A 35 -5.273 -7.037 6.729 1.00 0.00 N ATOM 160 CA TRP A 35 -4.278 -7.325 5.702 1.00 0.00 C ATOM 161 C TRP A 35 -2.963 -7.790 6.319 1.00 0.00 C ATOM 162 O TRP A 35 -2.535 -7.280 7.354 1.00 0.00 O ATOM 163 CB TRP A 35 -4.033 -6.090 4.835 1.00 0.00 C ATOM 164 CG TRP A 35 -5.040 -5.909 3.737 1.00 0.00 C ATOM 165 CD1 TRP A 35 -6.203 -6.606 3.558 1.00 0.00 C ATOM 166 CD2 TRP A 35 -4.968 -4.968 2.661 1.00 0.00 C ATOM 167 NE1 TRP A 35 -6.856 -6.152 2.438 1.00 0.00 N ATOM 168 CE2 TRP A 35 -6.119 -5.147 1.870 1.00 0.00 C ATOM 169 CE3 TRP A 35 -4.041 -3.989 2.292 1.00 0.00 C ATOM 170 CZ2 TRP A 35 -6.365 -4.384 0.732 1.00 0.00 C ATOM 171 CZ3 TRP A 35 -4.287 -3.232 1.162 1.00 0.00 C ATOM 172 CH2 TRP A 35 -5.441 -3.432 0.394 1.00 0.00 C ATOM 0 H TRP A 35 -5.555 -6.058 6.781 1.00 0.00 H new ATOM 0 HA TRP A 35 -4.669 -8.130 5.080 1.00 0.00 H new ATOM 0 HB2 TRP A 35 -4.040 -5.205 5.471 1.00 0.00 H new ATOM 0 HB3 TRP A 35 -3.038 -6.159 4.395 1.00 0.00 H new ATOM 0 HD1 TRP A 35 -6.556 -7.397 4.203 1.00 0.00 H new ATOM 0 HE1 TRP A 35 -7.746 -6.506 2.086 1.00 0.00 H new ATOM 0 HE3 TRP A 35 -3.149 -3.827 2.879 1.00 0.00 H new ATOM 0 HZ2 TRP A 35 -7.253 -4.538 0.137 1.00 0.00 H new ATOM 0 HZ3 TRP A 35 -3.577 -2.473 0.866 1.00 0.00 H new ATOM 0 HH2 TRP A 35 -5.605 -2.823 -0.483 1.00 0.00 H new ATOM 183 N SER A 36 -2.329 -8.763 5.673 1.00 0.00 N ATOM 184 CA SER A 36 -1.058 -9.298 6.149 1.00 0.00 C ATOM 185 C SER A 36 0.093 -8.771 5.299 1.00 0.00 C ATOM 186 O SER A 36 -0.119 -8.018 4.350 1.00 0.00 O ATOM 187 CB SER A 36 -1.077 -10.828 6.116 1.00 0.00 C ATOM 188 OG SER A 36 0.137 -11.365 6.612 1.00 0.00 O ATOM 0 H SER A 36 -2.675 -9.198 4.818 1.00 0.00 H new ATOM 0 HA SER A 36 -0.912 -8.971 7.178 1.00 0.00 H new ATOM 0 HB2 SER A 36 -1.912 -11.197 6.712 1.00 0.00 H new ATOM 0 HB3 SER A 36 -1.239 -11.171 5.094 1.00 0.00 H new ATOM 0 HG SER A 36 0.098 -12.344 6.582 1.00 0.00 H new ATOM 194 N VAL A 37 1.310 -9.173 5.645 1.00 0.00 N ATOM 195 CA VAL A 37 2.495 -8.740 4.914 1.00 0.00 C ATOM 196 C VAL A 37 2.416 -9.140 3.444 1.00 0.00 C ATOM 197 O VAL A 37 2.528 -8.295 2.556 1.00 0.00 O ATOM 198 CB VAL A 37 3.777 -9.330 5.533 1.00 0.00 C ATOM 199 CG1 VAL A 37 5.003 -8.926 4.727 1.00 0.00 C ATOM 200 CG2 VAL A 37 3.918 -8.892 6.982 1.00 0.00 C ATOM 0 H VAL A 37 1.502 -9.798 6.427 1.00 0.00 H new ATOM 0 HA VAL A 37 2.533 -7.653 4.984 1.00 0.00 H new ATOM 0 HB VAL A 37 3.700 -10.417 5.508 1.00 0.00 H new ATOM 0 HG11 VAL A 37 5.896 -9.354 5.183 1.00 0.00 H new ATOM 0 HG12 VAL A 37 4.905 -9.295 3.706 1.00 0.00 H new ATOM 0 HG13 VAL A 37 5.088 -7.839 4.714 1.00 0.00 H new ATOM 0 HG21 VAL A 37 4.829 -9.318 7.404 1.00 0.00 H new ATOM 0 HG22 VAL A 37 3.970 -7.804 7.030 1.00 0.00 H new ATOM 0 HG23 VAL A 37 3.057 -9.240 7.553 1.00 0.00 H new ATOM 210 N ASP A 38 2.221 -10.431 3.195 1.00 0.00 N ATOM 211 CA ASP A 38 2.135 -10.946 1.832 1.00 0.00 C ATOM 212 C ASP A 38 0.988 -10.299 1.059 1.00 0.00 C ATOM 213 O ASP A 38 1.042 -10.180 -0.165 1.00 0.00 O ATOM 214 CB ASP A 38 1.952 -12.465 1.851 1.00 0.00 C ATOM 215 CG ASP A 38 0.697 -12.887 2.589 1.00 0.00 C ATOM 216 OD1 ASP A 38 0.773 -13.097 3.818 1.00 0.00 O ATOM 217 OD2 ASP A 38 -0.362 -13.006 1.938 1.00 0.00 O ATOM 0 H ASP A 38 2.119 -11.141 3.920 1.00 0.00 H new ATOM 0 HA ASP A 38 3.068 -10.698 1.326 1.00 0.00 H new ATOM 0 HB2 ASP A 38 1.910 -12.836 0.827 1.00 0.00 H new ATOM 0 HB3 ASP A 38 2.820 -12.927 2.322 1.00 0.00 H new ATOM 222 N ASP A 39 -0.049 -9.880 1.779 1.00 0.00 N ATOM 223 CA ASP A 39 -1.211 -9.254 1.153 1.00 0.00 C ATOM 224 C ASP A 39 -0.908 -7.824 0.712 1.00 0.00 C ATOM 225 O ASP A 39 -1.294 -7.407 -0.381 1.00 0.00 O ATOM 226 CB ASP A 39 -2.400 -9.260 2.116 1.00 0.00 C ATOM 227 CG ASP A 39 -3.670 -8.746 1.469 1.00 0.00 C ATOM 228 OD1 ASP A 39 -3.821 -7.511 1.356 1.00 0.00 O ATOM 229 OD2 ASP A 39 -4.513 -9.577 1.071 1.00 0.00 O ATOM 0 H ASP A 39 -0.109 -9.962 2.794 1.00 0.00 H new ATOM 0 HA ASP A 39 -1.461 -9.836 0.266 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -2.565 -10.275 2.479 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -2.164 -8.645 2.985 1.00 0.00 H new ATOM 234 N VAL A 40 -0.218 -7.073 1.567 1.00 0.00 N ATOM 235 CA VAL A 40 0.127 -5.688 1.263 1.00 0.00 C ATOM 236 C VAL A 40 1.182 -5.607 0.163 1.00 0.00 C ATOM 237 O VAL A 40 1.127 -4.727 -0.695 1.00 0.00 O ATOM 238 CB VAL A 40 0.639 -4.948 2.515 1.00 0.00 C ATOM 239 CG1 VAL A 40 1.060 -3.526 2.168 1.00 0.00 C ATOM 240 CG2 VAL A 40 -0.426 -4.940 3.601 1.00 0.00 C ATOM 0 H VAL A 40 0.113 -7.400 2.475 1.00 0.00 H new ATOM 0 HA VAL A 40 -0.786 -5.205 0.915 1.00 0.00 H new ATOM 0 HB VAL A 40 1.513 -5.479 2.892 1.00 0.00 H new ATOM 0 HG11 VAL A 40 1.418 -3.023 3.066 1.00 0.00 H new ATOM 0 HG12 VAL A 40 1.858 -3.554 1.426 1.00 0.00 H new ATOM 0 HG13 VAL A 40 0.206 -2.982 1.763 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -0.048 -4.414 4.477 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -1.319 -4.435 3.232 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -0.676 -5.965 3.873 1.00 0.00 H new ATOM 250 N ILE A 41 2.141 -6.526 0.194 1.00 0.00 N ATOM 251 CA ILE A 41 3.208 -6.551 -0.801 1.00 0.00 C ATOM 252 C ILE A 41 2.658 -6.825 -2.197 1.00 0.00 C ATOM 253 O ILE A 41 2.945 -6.091 -3.143 1.00 0.00 O ATOM 254 CB ILE A 41 4.269 -7.619 -0.464 1.00 0.00 C ATOM 255 CG1 ILE A 41 4.929 -7.307 0.881 1.00 0.00 C ATOM 256 CG2 ILE A 41 5.315 -7.695 -1.569 1.00 0.00 C ATOM 257 CD1 ILE A 41 5.811 -8.424 1.396 1.00 0.00 C ATOM 0 H ILE A 41 2.202 -7.263 0.897 1.00 0.00 H new ATOM 0 HA ILE A 41 3.674 -5.566 -0.784 1.00 0.00 H new ATOM 0 HB ILE A 41 3.776 -8.588 -0.390 1.00 0.00 H new ATOM 0 HG12 ILE A 41 5.526 -6.400 0.782 1.00 0.00 H new ATOM 0 HG13 ILE A 41 4.153 -7.099 1.618 1.00 0.00 H new ATOM 0 HG21 ILE A 41 6.057 -8.453 -1.317 1.00 0.00 H new ATOM 0 HG22 ILE A 41 4.832 -7.959 -2.510 1.00 0.00 H new ATOM 0 HG23 ILE A 41 5.806 -6.727 -1.672 1.00 0.00 H new ATOM 0 HD11 ILE A 41 6.245 -8.133 2.352 1.00 0.00 H new ATOM 0 HD12 ILE A 41 5.215 -9.327 1.528 1.00 0.00 H new ATOM 0 HD13 ILE A 41 6.609 -8.617 0.679 1.00 0.00 H new ATOM 269 N THR A 42 1.870 -7.888 -2.318 1.00 0.00 N ATOM 270 CA THR A 42 1.287 -8.270 -3.599 1.00 0.00 C ATOM 271 C THR A 42 0.460 -7.136 -4.201 1.00 0.00 C ATOM 272 O THR A 42 0.690 -6.731 -5.341 1.00 0.00 O ATOM 273 CB THR A 42 0.401 -9.521 -3.460 1.00 0.00 C ATOM 274 OG1 THR A 42 1.159 -10.598 -2.898 1.00 0.00 O ATOM 275 CG2 THR A 42 -0.158 -9.944 -4.811 1.00 0.00 C ATOM 0 H THR A 42 1.620 -8.502 -1.543 1.00 0.00 H new ATOM 0 HA THR A 42 2.120 -8.493 -4.266 1.00 0.00 H new ATOM 0 HB THR A 42 -0.431 -9.276 -2.800 1.00 0.00 H new ATOM 0 HG1 THR A 42 1.139 -10.536 -1.920 1.00 0.00 H new ATOM 0 HG21 THR A 42 -0.781 -10.830 -4.686 1.00 0.00 H new ATOM 0 HG22 THR A 42 -0.758 -9.134 -5.226 1.00 0.00 H new ATOM 0 HG23 THR A 42 0.664 -10.171 -5.490 1.00 0.00 H new ATOM 283 N TRP A 43 -0.501 -6.628 -3.435 1.00 0.00 N ATOM 284 CA TRP A 43 -1.360 -5.545 -3.906 1.00 0.00 C ATOM 285 C TRP A 43 -0.539 -4.322 -4.295 1.00 0.00 C ATOM 286 O TRP A 43 -0.772 -3.716 -5.341 1.00 0.00 O ATOM 287 CB TRP A 43 -2.382 -5.164 -2.832 1.00 0.00 C ATOM 288 CG TRP A 43 -3.263 -4.021 -3.235 1.00 0.00 C ATOM 289 CD1 TRP A 43 -4.385 -4.085 -4.009 1.00 0.00 C ATOM 290 CD2 TRP A 43 -3.092 -2.641 -2.891 1.00 0.00 C ATOM 291 NE1 TRP A 43 -4.926 -2.832 -4.164 1.00 0.00 N ATOM 292 CE2 TRP A 43 -4.150 -1.928 -3.487 1.00 0.00 C ATOM 293 CE3 TRP A 43 -2.149 -1.938 -2.134 1.00 0.00 C ATOM 294 CZ2 TRP A 43 -4.289 -0.549 -3.351 1.00 0.00 C ATOM 295 CZ3 TRP A 43 -2.289 -0.569 -2.001 1.00 0.00 C ATOM 296 CH2 TRP A 43 -3.353 0.112 -2.606 1.00 0.00 C ATOM 0 H TRP A 43 -0.705 -6.947 -2.488 1.00 0.00 H new ATOM 0 HA TRP A 43 -1.888 -5.902 -4.790 1.00 0.00 H new ATOM 0 HB2 TRP A 43 -3.003 -6.031 -2.607 1.00 0.00 H new ATOM 0 HB3 TRP A 43 -1.855 -4.902 -1.915 1.00 0.00 H new ATOM 0 HD1 TRP A 43 -4.789 -4.990 -4.438 1.00 0.00 H new ATOM 0 HE1 TRP A 43 -5.768 -2.611 -4.696 1.00 0.00 H new ATOM 0 HE3 TRP A 43 -1.327 -2.455 -1.662 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 -5.107 -0.021 -3.818 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 -1.566 -0.015 -1.421 1.00 0.00 H new ATOM 0 HH2 TRP A 43 -3.436 1.182 -2.481 1.00 0.00 H new ATOM 307 N CYS A 44 0.416 -3.961 -3.447 1.00 0.00 N ATOM 308 CA CYS A 44 1.271 -2.808 -3.702 1.00 0.00 C ATOM 309 C CYS A 44 1.947 -2.920 -5.064 1.00 0.00 C ATOM 310 O CYS A 44 1.606 -2.195 -5.995 1.00 0.00 O ATOM 311 CB CYS A 44 2.326 -2.677 -2.602 1.00 0.00 C ATOM 312 SG CYS A 44 3.517 -1.345 -2.874 1.00 0.00 S ATOM 0 H CYS A 44 0.618 -4.451 -2.575 1.00 0.00 H new ATOM 0 HA CYS A 44 0.645 -1.916 -3.703 1.00 0.00 H new ATOM 0 HB2 CYS A 44 1.823 -2.511 -1.649 1.00 0.00 H new ATOM 0 HB3 CYS A 44 2.866 -3.620 -2.517 1.00 0.00 H new ATOM 0 HG CYS A 44 3.399 -0.458 -1.931 1.00 0.00 H new ATOM 318 N ILE A 45 2.901 -3.841 -5.170 1.00 0.00 N ATOM 319 CA ILE A 45 3.640 -4.061 -6.411 1.00 0.00 C ATOM 320 C ILE A 45 2.705 -4.217 -7.609 1.00 0.00 C ATOM 321 O ILE A 45 3.036 -3.811 -8.724 1.00 0.00 O ATOM 322 CB ILE A 45 4.519 -5.323 -6.308 1.00 0.00 C ATOM 323 CG1 ILE A 45 5.455 -5.226 -5.102 1.00 0.00 C ATOM 324 CG2 ILE A 45 5.315 -5.521 -7.587 1.00 0.00 C ATOM 325 CD1 ILE A 45 6.133 -6.535 -4.755 1.00 0.00 C ATOM 0 H ILE A 45 3.183 -4.453 -4.404 1.00 0.00 H new ATOM 0 HA ILE A 45 4.265 -3.181 -6.562 1.00 0.00 H new ATOM 0 HB ILE A 45 3.869 -6.187 -6.170 1.00 0.00 H new ATOM 0 HG12 ILE A 45 6.217 -4.474 -5.304 1.00 0.00 H new ATOM 0 HG13 ILE A 45 4.887 -4.880 -4.238 1.00 0.00 H new ATOM 0 HG21 ILE A 45 5.930 -6.416 -7.498 1.00 0.00 H new ATOM 0 HG22 ILE A 45 4.631 -5.634 -8.428 1.00 0.00 H new ATOM 0 HG23 ILE A 45 5.956 -4.655 -7.754 1.00 0.00 H new ATOM 0 HD11 ILE A 45 6.781 -6.391 -3.891 1.00 0.00 H new ATOM 0 HD12 ILE A 45 5.378 -7.285 -4.521 1.00 0.00 H new ATOM 0 HD13 ILE A 45 6.729 -6.872 -5.603 1.00 0.00 H new ATOM 337 N SER A 46 1.539 -4.805 -7.371 1.00 0.00 N ATOM 338 CA SER A 46 0.561 -5.035 -8.431 1.00 0.00 C ATOM 339 C SER A 46 0.199 -3.748 -9.170 1.00 0.00 C ATOM 340 O SER A 46 -0.145 -3.785 -10.351 1.00 0.00 O ATOM 341 CB SER A 46 -0.706 -5.669 -7.854 1.00 0.00 C ATOM 342 OG SER A 46 -1.673 -5.886 -8.866 1.00 0.00 O ATOM 0 H SER A 46 1.246 -5.133 -6.451 1.00 0.00 H new ATOM 0 HA SER A 46 1.020 -5.714 -9.149 1.00 0.00 H new ATOM 0 HB2 SER A 46 -0.457 -6.616 -7.375 1.00 0.00 H new ATOM 0 HB3 SER A 46 -1.122 -5.021 -7.082 1.00 0.00 H new ATOM 0 HG SER A 46 -2.473 -6.293 -8.472 1.00 0.00 H new ATOM 348 N THR A 47 0.279 -2.611 -8.482 1.00 0.00 N ATOM 349 CA THR A 47 -0.066 -1.334 -9.101 1.00 0.00 C ATOM 350 C THR A 47 0.807 -0.185 -8.597 1.00 0.00 C ATOM 351 O THR A 47 0.479 0.982 -8.803 1.00 0.00 O ATOM 352 CB THR A 47 -1.545 -0.982 -8.842 1.00 0.00 C ATOM 353 OG1 THR A 47 -1.861 0.291 -9.418 1.00 0.00 O ATOM 354 CG2 THR A 47 -1.847 -0.960 -7.349 1.00 0.00 C ATOM 0 H THR A 47 0.576 -2.547 -7.508 1.00 0.00 H new ATOM 0 HA THR A 47 0.110 -1.456 -10.170 1.00 0.00 H new ATOM 0 HB THR A 47 -2.160 -1.751 -9.309 1.00 0.00 H new ATOM 0 HG1 THR A 47 -1.230 0.965 -9.088 1.00 0.00 H new ATOM 0 HG21 THR A 47 -2.896 -0.709 -7.194 1.00 0.00 H new ATOM 0 HG22 THR A 47 -1.641 -1.941 -6.922 1.00 0.00 H new ATOM 0 HG23 THR A 47 -1.220 -0.214 -6.862 1.00 0.00 H new ATOM 362 N LEU A 48 1.927 -0.506 -7.956 1.00 0.00 N ATOM 363 CA LEU A 48 2.807 0.534 -7.436 1.00 0.00 C ATOM 364 C LEU A 48 3.637 1.153 -8.556 1.00 0.00 C ATOM 365 O LEU A 48 3.408 2.298 -8.947 1.00 0.00 O ATOM 366 CB LEU A 48 3.737 -0.050 -6.364 1.00 0.00 C ATOM 367 CG LEU A 48 4.301 0.950 -5.345 1.00 0.00 C ATOM 368 CD1 LEU A 48 5.138 2.019 -6.031 1.00 0.00 C ATOM 369 CD2 LEU A 48 3.177 1.585 -4.540 1.00 0.00 C ATOM 0 H LEU A 48 2.243 -1.461 -7.786 1.00 0.00 H new ATOM 0 HA LEU A 48 2.188 1.313 -6.992 1.00 0.00 H new ATOM 0 HB2 LEU A 48 3.193 -0.823 -5.822 1.00 0.00 H new ATOM 0 HB3 LEU A 48 4.573 -0.539 -6.864 1.00 0.00 H new ATOM 0 HG LEU A 48 4.950 0.403 -4.661 1.00 0.00 H new ATOM 0 HD11 LEU A 48 5.524 2.713 -5.285 1.00 0.00 H new ATOM 0 HD12 LEU A 48 5.970 1.549 -6.555 1.00 0.00 H new ATOM 0 HD13 LEU A 48 4.520 2.562 -6.746 1.00 0.00 H new ATOM 0 HD21 LEU A 48 3.597 2.291 -3.823 1.00 0.00 H new ATOM 0 HD22 LEU A 48 2.500 2.111 -5.213 1.00 0.00 H new ATOM 0 HD23 LEU A 48 2.628 0.809 -4.006 1.00 0.00 H new ATOM 381 N GLU A 49 4.600 0.393 -9.069 1.00 0.00 N ATOM 382 CA GLU A 49 5.451 0.876 -10.149 1.00 0.00 C ATOM 383 C GLU A 49 5.807 -0.242 -11.123 1.00 0.00 C ATOM 384 O GLU A 49 5.486 -0.173 -12.310 1.00 0.00 O ATOM 385 CB GLU A 49 6.729 1.503 -9.589 1.00 0.00 C ATOM 386 CG GLU A 49 7.613 2.126 -10.657 1.00 0.00 C ATOM 387 CD GLU A 49 8.829 2.820 -10.075 1.00 0.00 C ATOM 388 OE1 GLU A 49 8.704 3.994 -9.669 1.00 0.00 O ATOM 389 OE2 GLU A 49 9.906 2.190 -10.029 1.00 0.00 O ATOM 0 H GLU A 49 4.809 -0.555 -8.756 1.00 0.00 H new ATOM 0 HA GLU A 49 4.889 1.635 -10.692 1.00 0.00 H new ATOM 0 HB2 GLU A 49 6.461 2.267 -8.859 1.00 0.00 H new ATOM 0 HB3 GLU A 49 7.297 0.739 -9.058 1.00 0.00 H new ATOM 0 HG2 GLU A 49 7.939 1.351 -11.351 1.00 0.00 H new ATOM 0 HG3 GLU A 49 7.030 2.845 -11.232 1.00 0.00 H new ATOM 396 N VAL A 50 6.474 -1.270 -10.607 1.00 0.00 N ATOM 397 CA VAL A 50 6.909 -2.396 -11.425 1.00 0.00 C ATOM 398 C VAL A 50 6.142 -3.672 -11.088 1.00 0.00 C ATOM 399 O VAL A 50 5.090 -3.628 -10.453 1.00 0.00 O ATOM 400 CB VAL A 50 8.418 -2.652 -11.240 1.00 0.00 C ATOM 401 CG1 VAL A 50 9.216 -1.415 -11.620 1.00 0.00 C ATOM 402 CG2 VAL A 50 8.721 -3.065 -9.809 1.00 0.00 C ATOM 0 H VAL A 50 6.726 -1.346 -9.621 1.00 0.00 H new ATOM 0 HA VAL A 50 6.704 -2.132 -12.462 1.00 0.00 H new ATOM 0 HB VAL A 50 8.712 -3.469 -11.899 1.00 0.00 H new ATOM 0 HG11 VAL A 50 10.279 -1.612 -11.484 1.00 0.00 H new ATOM 0 HG12 VAL A 50 9.024 -1.164 -12.663 1.00 0.00 H new ATOM 0 HG13 VAL A 50 8.917 -0.580 -10.986 1.00 0.00 H new ATOM 0 HG21 VAL A 50 9.791 -3.241 -9.700 1.00 0.00 H new ATOM 0 HG22 VAL A 50 8.412 -2.272 -9.128 1.00 0.00 H new ATOM 0 HG23 VAL A 50 8.177 -3.979 -9.571 1.00 0.00 H new ATOM 412 N GLU A 51 6.685 -4.807 -11.522 1.00 0.00 N ATOM 413 CA GLU A 51 6.067 -6.104 -11.272 1.00 0.00 C ATOM 414 C GLU A 51 6.739 -6.793 -10.091 1.00 0.00 C ATOM 415 O GLU A 51 7.610 -6.212 -9.446 1.00 0.00 O ATOM 416 CB GLU A 51 6.176 -6.988 -12.513 1.00 0.00 C ATOM 417 CG GLU A 51 7.599 -7.133 -13.025 1.00 0.00 C ATOM 418 CD GLU A 51 7.725 -8.190 -14.106 1.00 0.00 C ATOM 419 OE1 GLU A 51 7.750 -9.391 -13.762 1.00 0.00 O ATOM 420 OE2 GLU A 51 7.797 -7.817 -15.296 1.00 0.00 O ATOM 0 H GLU A 51 7.556 -4.853 -12.051 1.00 0.00 H new ATOM 0 HA GLU A 51 5.015 -5.945 -11.037 1.00 0.00 H new ATOM 0 HB2 GLU A 51 5.778 -7.976 -12.283 1.00 0.00 H new ATOM 0 HB3 GLU A 51 5.554 -6.570 -13.304 1.00 0.00 H new ATOM 0 HG2 GLU A 51 7.939 -6.175 -13.417 1.00 0.00 H new ATOM 0 HG3 GLU A 51 8.256 -7.389 -12.194 1.00 0.00 H new ATOM 427 N GLU A 52 6.334 -8.028 -9.810 1.00 0.00 N ATOM 428 CA GLU A 52 6.912 -8.771 -8.697 1.00 0.00 C ATOM 429 C GLU A 52 8.309 -9.273 -9.051 1.00 0.00 C ATOM 430 O GLU A 52 8.513 -10.458 -9.313 1.00 0.00 O ATOM 431 CB GLU A 52 6.009 -9.946 -8.316 1.00 0.00 C ATOM 432 CG GLU A 52 6.472 -10.695 -7.077 1.00 0.00 C ATOM 433 CD GLU A 52 5.541 -11.833 -6.702 1.00 0.00 C ATOM 434 OE1 GLU A 52 5.730 -12.952 -7.223 1.00 0.00 O ATOM 435 OE2 GLU A 52 4.621 -11.603 -5.888 1.00 0.00 O ATOM 0 H GLU A 52 5.616 -8.530 -10.332 1.00 0.00 H new ATOM 0 HA GLU A 52 6.994 -8.099 -7.843 1.00 0.00 H new ATOM 0 HB2 GLU A 52 4.997 -9.576 -8.149 1.00 0.00 H new ATOM 0 HB3 GLU A 52 5.960 -10.642 -9.154 1.00 0.00 H new ATOM 0 HG2 GLU A 52 7.473 -11.091 -7.249 1.00 0.00 H new ATOM 0 HG3 GLU A 52 6.544 -9.999 -6.241 1.00 0.00 H new ATOM 442 N THR A 53 9.261 -8.348 -9.069 1.00 0.00 N ATOM 443 CA THR A 53 10.649 -8.665 -9.374 1.00 0.00 C ATOM 444 C THR A 53 11.580 -7.819 -8.518 1.00 0.00 C ATOM 445 O THR A 53 12.559 -8.311 -7.958 1.00 0.00 O ATOM 446 CB THR A 53 10.973 -8.421 -10.861 1.00 0.00 C ATOM 447 OG1 THR A 53 10.793 -7.036 -11.181 1.00 0.00 O ATOM 448 CG2 THR A 53 10.085 -9.271 -11.756 1.00 0.00 C ATOM 0 H THR A 53 9.093 -7.361 -8.873 1.00 0.00 H new ATOM 0 HA THR A 53 10.798 -9.722 -9.155 1.00 0.00 H new ATOM 0 HB THR A 53 12.012 -8.703 -11.034 1.00 0.00 H new ATOM 0 HG1 THR A 53 11.002 -6.889 -12.127 1.00 0.00 H new ATOM 0 HG21 THR A 53 10.333 -9.081 -12.800 1.00 0.00 H new ATOM 0 HG22 THR A 53 10.245 -10.326 -11.531 1.00 0.00 H new ATOM 0 HG23 THR A 53 9.040 -9.017 -11.579 1.00 0.00 H new ATOM 456 N ASP A 54 11.251 -6.534 -8.431 1.00 0.00 N ATOM 457 CA ASP A 54 12.032 -5.578 -7.657 1.00 0.00 C ATOM 458 C ASP A 54 12.046 -5.954 -6.173 1.00 0.00 C ATOM 459 O ASP A 54 11.055 -6.459 -5.646 1.00 0.00 O ATOM 460 CB ASP A 54 11.451 -4.174 -7.854 1.00 0.00 C ATOM 461 CG ASP A 54 12.189 -3.114 -7.059 1.00 0.00 C ATOM 462 OD1 ASP A 54 13.198 -2.583 -7.571 1.00 0.00 O ATOM 463 OD2 ASP A 54 11.759 -2.815 -5.926 1.00 0.00 O ATOM 0 H ASP A 54 10.438 -6.128 -8.894 1.00 0.00 H new ATOM 0 HA ASP A 54 13.063 -5.595 -8.009 1.00 0.00 H new ATOM 0 HB2 ASP A 54 11.486 -3.917 -8.913 1.00 0.00 H new ATOM 0 HB3 ASP A 54 10.401 -4.176 -7.561 1.00 0.00 H new ATOM 468 N PRO A 55 13.179 -5.714 -5.476 1.00 0.00 N ATOM 469 CA PRO A 55 13.324 -6.032 -4.046 1.00 0.00 C ATOM 470 C PRO A 55 12.304 -5.318 -3.157 1.00 0.00 C ATOM 471 O PRO A 55 12.333 -5.469 -1.937 1.00 0.00 O ATOM 472 CB PRO A 55 14.742 -5.561 -3.708 1.00 0.00 C ATOM 473 CG PRO A 55 15.454 -5.515 -5.015 1.00 0.00 C ATOM 474 CD PRO A 55 14.417 -5.130 -6.029 1.00 0.00 C ATOM 0 HA PRO A 55 13.152 -7.093 -3.864 1.00 0.00 H new ATOM 0 HB2 PRO A 55 14.729 -4.581 -3.231 1.00 0.00 H new ATOM 0 HB3 PRO A 55 15.231 -6.246 -3.016 1.00 0.00 H new ATOM 0 HG2 PRO A 55 16.268 -4.790 -4.992 1.00 0.00 H new ATOM 0 HG3 PRO A 55 15.896 -6.482 -5.255 1.00 0.00 H new ATOM 0 HD2 PRO A 55 14.340 -4.048 -6.137 1.00 0.00 H new ATOM 0 HD3 PRO A 55 14.648 -5.533 -7.015 1.00 0.00 H new ATOM 482 N LEU A 56 11.421 -4.527 -3.765 1.00 0.00 N ATOM 483 CA LEU A 56 10.398 -3.797 -3.015 1.00 0.00 C ATOM 484 C LEU A 56 9.689 -4.716 -2.021 1.00 0.00 C ATOM 485 O LEU A 56 9.302 -4.289 -0.932 1.00 0.00 O ATOM 486 CB LEU A 56 9.372 -3.181 -3.973 1.00 0.00 C ATOM 487 CG LEU A 56 8.314 -2.292 -3.313 1.00 0.00 C ATOM 488 CD1 LEU A 56 8.931 -0.986 -2.839 1.00 0.00 C ATOM 489 CD2 LEU A 56 7.168 -2.022 -4.277 1.00 0.00 C ATOM 0 H LEU A 56 11.393 -4.375 -4.773 1.00 0.00 H new ATOM 0 HA LEU A 56 10.893 -3.001 -2.460 1.00 0.00 H new ATOM 0 HB2 LEU A 56 9.904 -2.591 -4.720 1.00 0.00 H new ATOM 0 HB3 LEU A 56 8.866 -3.987 -4.505 1.00 0.00 H new ATOM 0 HG LEU A 56 7.918 -2.818 -2.445 1.00 0.00 H new ATOM 0 HD11 LEU A 56 8.163 -0.369 -2.373 1.00 0.00 H new ATOM 0 HD12 LEU A 56 9.717 -1.197 -2.113 1.00 0.00 H new ATOM 0 HD13 LEU A 56 9.357 -0.455 -3.690 1.00 0.00 H new ATOM 0 HD21 LEU A 56 6.425 -1.389 -3.791 1.00 0.00 H new ATOM 0 HD22 LEU A 56 7.550 -1.518 -5.164 1.00 0.00 H new ATOM 0 HD23 LEU A 56 6.706 -2.966 -4.567 1.00 0.00 H new ATOM 501 N CYS A 57 9.529 -5.981 -2.401 1.00 0.00 N ATOM 502 CA CYS A 57 8.866 -6.962 -1.547 1.00 0.00 C ATOM 503 C CYS A 57 9.679 -7.225 -0.284 1.00 0.00 C ATOM 504 O CYS A 57 9.119 -7.416 0.796 1.00 0.00 O ATOM 505 CB CYS A 57 8.651 -8.271 -2.309 1.00 0.00 C ATOM 506 SG CYS A 57 10.177 -9.042 -2.901 1.00 0.00 S ATOM 0 H CYS A 57 9.850 -6.351 -3.296 1.00 0.00 H new ATOM 0 HA CYS A 57 7.898 -6.555 -1.256 1.00 0.00 H new ATOM 0 HB2 CYS A 57 8.129 -8.975 -1.660 1.00 0.00 H new ATOM 0 HB3 CYS A 57 7.999 -8.080 -3.161 1.00 0.00 H new ATOM 0 HG CYS A 57 9.891 -10.143 -3.530 1.00 0.00 H new ATOM 512 N GLN A 58 11.001 -7.240 -0.428 1.00 0.00 N ATOM 513 CA GLN A 58 11.894 -7.482 0.699 1.00 0.00 C ATOM 514 C GLN A 58 11.793 -6.364 1.733 1.00 0.00 C ATOM 515 O GLN A 58 11.661 -6.625 2.929 1.00 0.00 O ATOM 516 CB GLN A 58 13.338 -7.613 0.212 1.00 0.00 C ATOM 517 CG GLN A 58 14.317 -8.009 1.305 1.00 0.00 C ATOM 518 CD GLN A 58 14.005 -9.367 1.904 1.00 0.00 C ATOM 519 OE1 GLN A 58 14.493 -10.394 1.431 1.00 0.00 O ATOM 520 NE2 GLN A 58 13.188 -9.379 2.951 1.00 0.00 N ATOM 0 H GLN A 58 11.478 -7.087 -1.317 1.00 0.00 H new ATOM 0 HA GLN A 58 11.589 -8.415 1.174 1.00 0.00 H new ATOM 0 HB2 GLN A 58 13.377 -8.355 -0.585 1.00 0.00 H new ATOM 0 HB3 GLN A 58 13.654 -6.664 -0.220 1.00 0.00 H new ATOM 0 HG2 GLN A 58 15.327 -8.020 0.896 1.00 0.00 H new ATOM 0 HG3 GLN A 58 14.300 -7.256 2.093 1.00 0.00 H new ATOM 0 HE21 GLN A 58 12.806 -8.504 3.310 1.00 0.00 H new ATOM 0 HE22 GLN A 58 12.942 -10.263 3.396 1.00 0.00 H new ATOM 529 N ARG A 59 11.861 -5.118 1.269 1.00 0.00 N ATOM 530 CA ARG A 59 11.775 -3.967 2.163 1.00 0.00 C ATOM 531 C ARG A 59 10.465 -3.980 2.946 1.00 0.00 C ATOM 532 O ARG A 59 10.429 -3.605 4.118 1.00 0.00 O ATOM 533 CB ARG A 59 11.903 -2.658 1.378 1.00 0.00 C ATOM 534 CG ARG A 59 13.339 -2.271 1.060 1.00 0.00 C ATOM 535 CD ARG A 59 13.884 -3.049 -0.127 1.00 0.00 C ATOM 536 NE ARG A 59 13.222 -2.672 -1.374 1.00 0.00 N ATOM 537 CZ ARG A 59 13.872 -2.363 -2.493 1.00 0.00 C ATOM 538 NH1 ARG A 59 15.198 -2.407 -2.529 1.00 0.00 N ATOM 539 NH2 ARG A 59 13.196 -2.014 -3.578 1.00 0.00 N ATOM 0 H ARG A 59 11.975 -4.881 0.284 1.00 0.00 H new ATOM 0 HA ARG A 59 12.602 -4.034 2.870 1.00 0.00 H new ATOM 0 HB2 ARG A 59 11.346 -2.748 0.445 1.00 0.00 H new ATOM 0 HB3 ARG A 59 11.438 -1.855 1.950 1.00 0.00 H new ATOM 0 HG2 ARG A 59 13.389 -1.203 0.848 1.00 0.00 H new ATOM 0 HG3 ARG A 59 13.966 -2.453 1.933 1.00 0.00 H new ATOM 0 HD2 ARG A 59 14.956 -2.872 -0.217 1.00 0.00 H new ATOM 0 HD3 ARG A 59 13.751 -4.117 0.047 1.00 0.00 H new ATOM 0 HE ARG A 59 12.202 -2.644 -1.387 1.00 0.00 H new ATOM 0 HH11 ARG A 59 15.722 -2.678 -1.697 1.00 0.00 H new ATOM 0 HH12 ARG A 59 15.693 -2.169 -3.389 1.00 0.00 H new ATOM 0 HH21 ARG A 59 12.177 -1.982 -3.556 1.00 0.00 H new ATOM 0 HH22 ARG A 59 13.695 -1.777 -4.436 1.00 0.00 H new ATOM 553 N LEU A 60 9.389 -4.409 2.291 1.00 0.00 N ATOM 554 CA LEU A 60 8.080 -4.472 2.932 1.00 0.00 C ATOM 555 C LEU A 60 7.988 -5.670 3.874 1.00 0.00 C ATOM 556 O LEU A 60 7.308 -5.613 4.900 1.00 0.00 O ATOM 557 CB LEU A 60 6.974 -4.553 1.878 1.00 0.00 C ATOM 558 CG LEU A 60 6.831 -3.320 0.985 1.00 0.00 C ATOM 559 CD1 LEU A 60 5.879 -3.604 -0.167 1.00 0.00 C ATOM 560 CD2 LEU A 60 6.343 -2.129 1.798 1.00 0.00 C ATOM 0 H LEU A 60 9.398 -4.717 1.319 1.00 0.00 H new ATOM 0 HA LEU A 60 7.949 -3.562 3.518 1.00 0.00 H new ATOM 0 HB2 LEU A 60 7.161 -5.420 1.245 1.00 0.00 H new ATOM 0 HB3 LEU A 60 6.024 -4.727 2.384 1.00 0.00 H new ATOM 0 HG LEU A 60 7.810 -3.078 0.571 1.00 0.00 H new ATOM 0 HD11 LEU A 60 5.789 -2.716 -0.792 1.00 0.00 H new ATOM 0 HD12 LEU A 60 6.266 -4.430 -0.764 1.00 0.00 H new ATOM 0 HD13 LEU A 60 4.899 -3.870 0.228 1.00 0.00 H new ATOM 0 HD21 LEU A 60 6.246 -1.260 1.148 1.00 0.00 H new ATOM 0 HD22 LEU A 60 5.374 -2.362 2.239 1.00 0.00 H new ATOM 0 HD23 LEU A 60 7.059 -1.912 2.591 1.00 0.00 H new ATOM 572 N ARG A 61 8.676 -6.752 3.520 1.00 0.00 N ATOM 573 CA ARG A 61 8.669 -7.965 4.334 1.00 0.00 C ATOM 574 C ARG A 61 9.342 -7.724 5.681 1.00 0.00 C ATOM 575 O ARG A 61 8.870 -8.196 6.715 1.00 0.00 O ATOM 576 CB ARG A 61 9.374 -9.104 3.593 1.00 0.00 C ATOM 577 CG ARG A 61 9.387 -10.418 4.359 1.00 0.00 C ATOM 578 CD ARG A 61 10.112 -11.506 3.583 1.00 0.00 C ATOM 579 NE ARG A 61 10.147 -12.771 4.312 1.00 0.00 N ATOM 580 CZ ARG A 61 10.481 -13.933 3.757 1.00 0.00 C ATOM 581 NH1 ARG A 61 10.799 -13.990 2.470 1.00 0.00 N ATOM 582 NH2 ARG A 61 10.496 -15.039 4.487 1.00 0.00 N ATOM 0 H ARG A 61 9.245 -6.814 2.676 1.00 0.00 H new ATOM 0 HA ARG A 61 7.631 -8.245 4.515 1.00 0.00 H new ATOM 0 HB2 ARG A 61 8.883 -9.259 2.632 1.00 0.00 H new ATOM 0 HB3 ARG A 61 10.401 -8.807 3.382 1.00 0.00 H new ATOM 0 HG2 ARG A 61 9.872 -10.273 5.324 1.00 0.00 H new ATOM 0 HG3 ARG A 61 8.363 -10.733 4.560 1.00 0.00 H new ATOM 0 HD2 ARG A 61 9.619 -11.655 2.622 1.00 0.00 H new ATOM 0 HD3 ARG A 61 11.131 -11.182 3.371 1.00 0.00 H new ATOM 0 HE ARG A 61 9.902 -12.763 5.302 1.00 0.00 H new ATOM 0 HH11 ARG A 61 10.788 -13.142 1.904 1.00 0.00 H new ATOM 0 HH12 ARG A 61 11.055 -14.882 2.047 1.00 0.00 H new ATOM 0 HH21 ARG A 61 10.251 -15.000 5.476 1.00 0.00 H new ATOM 0 HH22 ARG A 61 10.752 -15.929 4.059 1.00 0.00 H new ATOM 596 N GLU A 62 10.450 -6.987 5.661 1.00 0.00 N ATOM 597 CA GLU A 62 11.185 -6.681 6.883 1.00 0.00 C ATOM 598 C GLU A 62 10.307 -5.909 7.856 1.00 0.00 C ATOM 599 O GLU A 62 10.064 -6.356 8.976 1.00 0.00 O ATOM 600 CB GLU A 62 12.446 -5.878 6.555 1.00 0.00 C ATOM 601 CG GLU A 62 13.312 -5.579 7.768 1.00 0.00 C ATOM 602 CD GLU A 62 14.540 -4.762 7.419 1.00 0.00 C ATOM 603 OE1 GLU A 62 15.577 -5.366 7.075 1.00 0.00 O ATOM 604 OE2 GLU A 62 14.464 -3.517 7.490 1.00 0.00 O ATOM 0 H GLU A 62 10.857 -6.592 4.813 1.00 0.00 H new ATOM 0 HA GLU A 62 11.479 -7.619 7.354 1.00 0.00 H new ATOM 0 HB2 GLU A 62 13.038 -6.429 5.824 1.00 0.00 H new ATOM 0 HB3 GLU A 62 12.156 -4.938 6.086 1.00 0.00 H new ATOM 0 HG2 GLU A 62 12.720 -5.041 8.509 1.00 0.00 H new ATOM 0 HG3 GLU A 62 13.623 -6.517 8.228 1.00 0.00 H new ATOM 611 N ASN A 63 9.833 -4.746 7.424 1.00 0.00 N ATOM 612 CA ASN A 63 8.973 -3.925 8.260 1.00 0.00 C ATOM 613 C ASN A 63 7.531 -4.405 8.171 1.00 0.00 C ATOM 614 O ASN A 63 6.790 -4.005 7.277 1.00 0.00 O ATOM 615 CB ASN A 63 9.057 -2.453 7.850 1.00 0.00 C ATOM 616 CG ASN A 63 10.452 -1.885 8.025 1.00 0.00 C ATOM 617 OD1 ASN A 63 10.789 -1.353 9.083 1.00 0.00 O ATOM 618 ND2 ASN A 63 11.269 -1.994 6.985 1.00 0.00 N ATOM 0 H ASN A 63 10.030 -4.354 6.503 1.00 0.00 H new ATOM 0 HA ASN A 63 9.317 -4.018 9.290 1.00 0.00 H new ATOM 0 HB2 ASN A 63 8.754 -2.351 6.808 1.00 0.00 H new ATOM 0 HB3 ASN A 63 8.353 -1.872 8.446 1.00 0.00 H new ATOM 0 HD21 ASN A 63 12.220 -1.629 7.043 1.00 0.00 H new ATOM 0 HD22 ASN A 63 10.946 -2.443 6.128 1.00 0.00 H new ATOM 625 N ASP A 64 7.151 -5.294 9.082 1.00 0.00 N ATOM 626 CA ASP A 64 5.788 -5.814 9.116 1.00 0.00 C ATOM 627 C ASP A 64 4.788 -4.670 9.254 1.00 0.00 C ATOM 628 O ASP A 64 4.472 -4.237 10.364 1.00 0.00 O ATOM 629 CB ASP A 64 5.624 -6.798 10.278 1.00 0.00 C ATOM 630 CG ASP A 64 4.221 -7.371 10.363 1.00 0.00 C ATOM 631 OD1 ASP A 64 3.308 -6.645 10.804 1.00 0.00 O ATOM 632 OD2 ASP A 64 4.039 -8.550 9.992 1.00 0.00 O ATOM 0 H ASP A 64 7.765 -5.669 9.805 1.00 0.00 H new ATOM 0 HA ASP A 64 5.594 -6.339 8.181 1.00 0.00 H new ATOM 0 HB2 ASP A 64 6.339 -7.613 10.163 1.00 0.00 H new ATOM 0 HB3 ASP A 64 5.864 -6.293 11.214 1.00 0.00 H new ATOM 637 N ILE A 65 4.295 -4.177 8.121 1.00 0.00 N ATOM 638 CA ILE A 65 3.338 -3.076 8.119 1.00 0.00 C ATOM 639 C ILE A 65 1.913 -3.586 7.940 1.00 0.00 C ATOM 640 O ILE A 65 1.654 -4.466 7.120 1.00 0.00 O ATOM 641 CB ILE A 65 3.643 -2.054 7.002 1.00 0.00 C ATOM 642 CG1 ILE A 65 5.045 -1.458 7.172 1.00 0.00 C ATOM 643 CG2 ILE A 65 2.595 -0.949 6.991 1.00 0.00 C ATOM 644 CD1 ILE A 65 5.248 -0.724 8.482 1.00 0.00 C ATOM 0 H ILE A 65 4.542 -4.523 7.194 1.00 0.00 H new ATOM 0 HA ILE A 65 3.432 -2.583 9.087 1.00 0.00 H new ATOM 0 HB ILE A 65 3.609 -2.577 6.046 1.00 0.00 H new ATOM 0 HG12 ILE A 65 5.781 -2.259 7.098 1.00 0.00 H new ATOM 0 HG13 ILE A 65 5.239 -0.771 6.348 1.00 0.00 H new ATOM 0 HG21 ILE A 65 2.825 -0.237 6.198 1.00 0.00 H new ATOM 0 HG22 ILE A 65 1.611 -1.383 6.815 1.00 0.00 H new ATOM 0 HG23 ILE A 65 2.598 -0.435 7.952 1.00 0.00 H new ATOM 0 HD11 ILE A 65 6.264 -0.332 8.526 1.00 0.00 H new ATOM 0 HD12 ILE A 65 4.538 0.100 8.551 1.00 0.00 H new ATOM 0 HD13 ILE A 65 5.088 -1.411 9.313 1.00 0.00 H new ATOM 656 N VAL A 66 0.994 -3.022 8.715 1.00 0.00 N ATOM 657 CA VAL A 66 -0.408 -3.406 8.646 1.00 0.00 C ATOM 658 C VAL A 66 -1.234 -2.290 8.013 1.00 0.00 C ATOM 659 O VAL A 66 -0.778 -1.151 7.912 1.00 0.00 O ATOM 660 CB VAL A 66 -0.966 -3.731 10.046 1.00 0.00 C ATOM 661 CG1 VAL A 66 -1.018 -2.480 10.910 1.00 0.00 C ATOM 662 CG2 VAL A 66 -2.339 -4.380 9.950 1.00 0.00 C ATOM 0 H VAL A 66 1.197 -2.295 9.400 1.00 0.00 H new ATOM 0 HA VAL A 66 -0.477 -4.302 8.029 1.00 0.00 H new ATOM 0 HB VAL A 66 -0.291 -4.444 10.520 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -1.415 -2.733 11.893 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -0.014 -2.071 11.018 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -1.663 -1.739 10.438 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -2.709 -4.599 10.952 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -3.028 -3.701 9.449 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -2.265 -5.306 9.381 1.00 0.00 H new ATOM 672 N GLY A 67 -2.444 -2.623 7.583 1.00 0.00 N ATOM 673 CA GLY A 67 -3.311 -1.633 6.968 1.00 0.00 C ATOM 674 C GLY A 67 -3.605 -0.469 7.893 1.00 0.00 C ATOM 675 O GLY A 67 -3.772 0.664 7.442 1.00 0.00 O ATOM 0 H GLY A 67 -2.842 -3.560 7.648 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -2.843 -1.260 6.057 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -4.248 -2.106 6.675 1.00 0.00 H new ATOM 679 N ASP A 68 -3.670 -0.750 9.190 1.00 0.00 N ATOM 680 CA ASP A 68 -3.947 0.278 10.187 1.00 0.00 C ATOM 681 C ASP A 68 -2.705 1.123 10.465 1.00 0.00 C ATOM 682 O ASP A 68 -2.791 2.182 11.086 1.00 0.00 O ATOM 683 CB ASP A 68 -4.440 -0.366 11.484 1.00 0.00 C ATOM 684 CG ASP A 68 -4.846 0.659 12.524 1.00 0.00 C ATOM 685 OD1 ASP A 68 -6.018 1.091 12.508 1.00 0.00 O ATOM 686 OD2 ASP A 68 -3.993 1.028 13.358 1.00 0.00 O ATOM 0 H ASP A 68 -3.534 -1.684 9.576 1.00 0.00 H new ATOM 0 HA ASP A 68 -4.724 0.932 9.792 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -5.290 -1.012 11.265 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -3.654 -1.001 11.892 1.00 0.00 H new ATOM 691 N LEU A 69 -1.554 0.648 9.997 1.00 0.00 N ATOM 692 CA LEU A 69 -0.291 1.351 10.208 1.00 0.00 C ATOM 693 C LEU A 69 0.135 2.122 8.959 1.00 0.00 C ATOM 694 O LEU A 69 0.973 3.022 9.030 1.00 0.00 O ATOM 695 CB LEU A 69 0.799 0.352 10.607 1.00 0.00 C ATOM 696 CG LEU A 69 2.189 0.949 10.840 1.00 0.00 C ATOM 697 CD1 LEU A 69 2.160 1.942 11.991 1.00 0.00 C ATOM 698 CD2 LEU A 69 3.201 -0.153 11.110 1.00 0.00 C ATOM 0 H LEU A 69 -1.469 -0.221 9.469 1.00 0.00 H new ATOM 0 HA LEU A 69 -0.435 2.073 11.012 1.00 0.00 H new ATOM 0 HB2 LEU A 69 0.484 -0.157 11.518 1.00 0.00 H new ATOM 0 HB3 LEU A 69 0.875 -0.406 9.828 1.00 0.00 H new ATOM 0 HG LEU A 69 2.491 1.481 9.938 1.00 0.00 H new ATOM 0 HD11 LEU A 69 3.158 2.355 12.140 1.00 0.00 H new ATOM 0 HD12 LEU A 69 1.465 2.748 11.758 1.00 0.00 H new ATOM 0 HD13 LEU A 69 1.837 1.435 12.901 1.00 0.00 H new ATOM 0 HD21 LEU A 69 4.184 0.288 11.274 1.00 0.00 H new ATOM 0 HD22 LEU A 69 2.902 -0.712 11.997 1.00 0.00 H new ATOM 0 HD23 LEU A 69 3.243 -0.826 10.254 1.00 0.00 H new ATOM 710 N LEU A 70 -0.445 1.766 7.818 1.00 0.00 N ATOM 711 CA LEU A 70 -0.119 2.424 6.556 1.00 0.00 C ATOM 712 C LEU A 70 -0.395 3.933 6.609 1.00 0.00 C ATOM 713 O LEU A 70 0.475 4.729 6.257 1.00 0.00 O ATOM 714 CB LEU A 70 -0.896 1.787 5.399 1.00 0.00 C ATOM 715 CG LEU A 70 -0.393 0.413 4.949 1.00 0.00 C ATOM 716 CD1 LEU A 70 -1.332 -0.183 3.911 1.00 0.00 C ATOM 717 CD2 LEU A 70 1.018 0.519 4.385 1.00 0.00 C ATOM 0 H LEU A 70 -1.143 1.026 7.740 1.00 0.00 H new ATOM 0 HA LEU A 70 0.949 2.287 6.387 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -1.941 1.694 5.693 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -0.864 2.464 4.546 1.00 0.00 H new ATOM 0 HG LEU A 70 -0.371 -0.246 5.817 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -0.960 -1.160 3.602 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -2.327 -0.294 4.342 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -1.383 0.477 3.045 1.00 0.00 H new ATOM 0 HD21 LEU A 70 1.359 -0.467 4.070 1.00 0.00 H new ATOM 0 HD22 LEU A 70 1.018 1.193 3.529 1.00 0.00 H new ATOM 0 HD23 LEU A 70 1.688 0.907 5.152 1.00 0.00 H new ATOM 729 N PRO A 71 -1.602 4.356 7.047 1.00 0.00 N ATOM 730 CA PRO A 71 -1.951 5.780 7.120 1.00 0.00 C ATOM 731 C PRO A 71 -1.298 6.488 8.303 1.00 0.00 C ATOM 732 O PRO A 71 -1.174 7.714 8.311 1.00 0.00 O ATOM 733 CB PRO A 71 -3.469 5.758 7.283 1.00 0.00 C ATOM 734 CG PRO A 71 -3.749 4.480 7.990 1.00 0.00 C ATOM 735 CD PRO A 71 -2.718 3.497 7.500 1.00 0.00 C ATOM 0 HA PRO A 71 -1.605 6.328 6.243 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -3.819 6.615 7.859 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -3.973 5.796 6.317 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -3.682 4.609 9.070 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -4.757 4.128 7.773 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -2.404 2.818 8.292 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -3.105 2.882 6.688 1.00 0.00 H new ATOM 743 N GLU A 72 -0.882 5.715 9.301 1.00 0.00 N ATOM 744 CA GLU A 72 -0.244 6.275 10.488 1.00 0.00 C ATOM 745 C GLU A 72 1.182 6.730 10.185 1.00 0.00 C ATOM 746 O GLU A 72 1.885 7.221 11.067 1.00 0.00 O ATOM 747 CB GLU A 72 -0.232 5.249 11.623 1.00 0.00 C ATOM 748 CG GLU A 72 -1.620 4.833 12.082 1.00 0.00 C ATOM 749 CD GLU A 72 -2.412 5.988 12.666 1.00 0.00 C ATOM 750 OE1 GLU A 72 -3.041 6.732 11.885 1.00 0.00 O ATOM 751 OE2 GLU A 72 -2.404 6.146 13.906 1.00 0.00 O ATOM 0 H GLU A 72 -0.975 4.699 9.312 1.00 0.00 H new ATOM 0 HA GLU A 72 -0.824 7.144 10.798 1.00 0.00 H new ATOM 0 HB2 GLU A 72 0.314 4.364 11.296 1.00 0.00 H new ATOM 0 HB3 GLU A 72 0.313 5.664 12.471 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -2.167 4.412 11.238 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -1.530 4.044 12.829 1.00 0.00 H new ATOM 758 N LEU A 73 1.602 6.564 8.935 1.00 0.00 N ATOM 759 CA LEU A 73 2.943 6.959 8.519 1.00 0.00 C ATOM 760 C LEU A 73 2.890 8.106 7.514 1.00 0.00 C ATOM 761 O LEU A 73 1.816 8.493 7.053 1.00 0.00 O ATOM 762 CB LEU A 73 3.685 5.769 7.909 1.00 0.00 C ATOM 763 CG LEU A 73 4.019 4.639 8.884 1.00 0.00 C ATOM 764 CD1 LEU A 73 4.548 3.427 8.133 1.00 0.00 C ATOM 765 CD2 LEU A 73 5.032 5.109 9.918 1.00 0.00 C ATOM 0 H LEU A 73 1.033 6.158 8.192 1.00 0.00 H new ATOM 0 HA LEU A 73 3.480 7.300 9.404 1.00 0.00 H new ATOM 0 HB2 LEU A 73 3.080 5.361 7.099 1.00 0.00 H new ATOM 0 HB3 LEU A 73 4.613 6.129 7.464 1.00 0.00 H new ATOM 0 HG LEU A 73 3.105 4.351 9.403 1.00 0.00 H new ATOM 0 HD11 LEU A 73 4.781 2.633 8.842 1.00 0.00 H new ATOM 0 HD12 LEU A 73 3.792 3.076 7.430 1.00 0.00 H new ATOM 0 HD13 LEU A 73 5.451 3.702 7.588 1.00 0.00 H new ATOM 0 HD21 LEU A 73 5.258 4.292 10.603 1.00 0.00 H new ATOM 0 HD22 LEU A 73 5.946 5.424 9.415 1.00 0.00 H new ATOM 0 HD23 LEU A 73 4.618 5.948 10.477 1.00 0.00 H new ATOM 777 N CYS A 74 4.061 8.643 7.182 1.00 0.00 N ATOM 778 CA CYS A 74 4.159 9.742 6.229 1.00 0.00 C ATOM 779 C CYS A 74 5.169 9.412 5.134 1.00 0.00 C ATOM 780 O CYS A 74 5.639 8.277 5.036 1.00 0.00 O ATOM 781 CB CYS A 74 4.566 11.032 6.945 1.00 0.00 C ATOM 782 SG CYS A 74 3.419 11.543 8.247 1.00 0.00 S ATOM 0 H CYS A 74 4.956 8.333 7.560 1.00 0.00 H new ATOM 0 HA CYS A 74 3.181 9.887 5.770 1.00 0.00 H new ATOM 0 HB2 CYS A 74 5.556 10.897 7.380 1.00 0.00 H new ATOM 0 HB3 CYS A 74 4.646 11.833 6.211 1.00 0.00 H new ATOM 0 HG CYS A 74 3.847 12.641 8.796 1.00 0.00 H new ATOM 788 N LEU A 75 5.503 10.404 4.315 1.00 0.00 N ATOM 789 CA LEU A 75 6.460 10.208 3.230 1.00 0.00 C ATOM 790 C LEU A 75 7.846 9.877 3.772 1.00 0.00 C ATOM 791 O LEU A 75 8.734 9.473 3.023 1.00 0.00 O ATOM 792 CB LEU A 75 6.527 11.453 2.343 1.00 0.00 C ATOM 793 CG LEU A 75 5.265 11.742 1.528 1.00 0.00 C ATOM 794 CD1 LEU A 75 5.419 13.036 0.745 1.00 0.00 C ATOM 795 CD2 LEU A 75 4.958 10.585 0.588 1.00 0.00 C ATOM 0 H LEU A 75 5.127 11.350 4.381 1.00 0.00 H new ATOM 0 HA LEU A 75 6.117 9.365 2.631 1.00 0.00 H new ATOM 0 HB2 LEU A 75 6.739 12.317 2.973 1.00 0.00 H new ATOM 0 HB3 LEU A 75 7.367 11.345 1.656 1.00 0.00 H new ATOM 0 HG LEU A 75 4.430 11.855 2.219 1.00 0.00 H new ATOM 0 HD11 LEU A 75 4.511 13.225 0.172 1.00 0.00 H new ATOM 0 HD12 LEU A 75 5.590 13.861 1.436 1.00 0.00 H new ATOM 0 HD13 LEU A 75 6.267 12.951 0.065 1.00 0.00 H new ATOM 0 HD21 LEU A 75 4.057 10.809 0.017 1.00 0.00 H new ATOM 0 HD22 LEU A 75 5.794 10.440 -0.096 1.00 0.00 H new ATOM 0 HD23 LEU A 75 4.803 9.676 1.169 1.00 0.00 H new ATOM 807 N GLN A 76 8.027 10.055 5.077 1.00 0.00 N ATOM 808 CA GLN A 76 9.306 9.770 5.717 1.00 0.00 C ATOM 809 C GLN A 76 9.634 8.282 5.628 1.00 0.00 C ATOM 810 O GLN A 76 10.628 7.890 5.016 1.00 0.00 O ATOM 811 CB GLN A 76 9.279 10.213 7.182 1.00 0.00 C ATOM 812 CG GLN A 76 10.594 9.992 7.913 1.00 0.00 C ATOM 813 CD GLN A 76 11.740 10.784 7.314 1.00 0.00 C ATOM 814 OE1 GLN A 76 11.989 11.927 7.699 1.00 0.00 O ATOM 815 NE2 GLN A 76 12.446 10.179 6.366 1.00 0.00 N ATOM 0 H GLN A 76 7.304 10.395 5.711 1.00 0.00 H new ATOM 0 HA GLN A 76 10.081 10.329 5.193 1.00 0.00 H new ATOM 0 HB2 GLN A 76 9.022 11.271 7.227 1.00 0.00 H new ATOM 0 HB3 GLN A 76 8.489 9.671 7.702 1.00 0.00 H new ATOM 0 HG2 GLN A 76 10.474 10.271 8.960 1.00 0.00 H new ATOM 0 HG3 GLN A 76 10.842 8.931 7.892 1.00 0.00 H new ATOM 0 HE21 GLN A 76 12.205 9.231 6.077 1.00 0.00 H new ATOM 0 HE22 GLN A 76 13.229 10.662 5.927 1.00 0.00 H new ATOM 824 N ASP A 77 8.789 7.457 6.240 1.00 0.00 N ATOM 825 CA ASP A 77 8.990 6.014 6.226 1.00 0.00 C ATOM 826 C ASP A 77 8.784 5.453 4.822 1.00 0.00 C ATOM 827 O ASP A 77 9.442 4.493 4.426 1.00 0.00 O ATOM 828 CB ASP A 77 8.037 5.332 7.209 1.00 0.00 C ATOM 829 CG ASP A 77 8.206 3.825 7.225 1.00 0.00 C ATOM 830 OD1 ASP A 77 9.080 3.334 7.969 1.00 0.00 O ATOM 831 OD2 ASP A 77 7.465 3.137 6.492 1.00 0.00 O ATOM 0 H ASP A 77 7.961 7.764 6.750 1.00 0.00 H new ATOM 0 HA ASP A 77 10.016 5.811 6.533 1.00 0.00 H new ATOM 0 HB2 ASP A 77 8.210 5.725 8.211 1.00 0.00 H new ATOM 0 HB3 ASP A 77 7.009 5.577 6.943 1.00 0.00 H new ATOM 836 N CYS A 78 7.866 6.062 4.074 1.00 0.00 N ATOM 837 CA CYS A 78 7.580 5.628 2.710 1.00 0.00 C ATOM 838 C CYS A 78 8.821 5.759 1.835 1.00 0.00 C ATOM 839 O CYS A 78 9.114 4.883 1.021 1.00 0.00 O ATOM 840 CB CYS A 78 6.433 6.450 2.120 1.00 0.00 C ATOM 841 SG CYS A 78 4.844 6.202 2.949 1.00 0.00 S ATOM 0 H CYS A 78 7.309 6.856 4.390 1.00 0.00 H new ATOM 0 HA CYS A 78 7.284 4.579 2.739 1.00 0.00 H new ATOM 0 HB2 CYS A 78 6.695 7.507 2.169 1.00 0.00 H new ATOM 0 HB3 CYS A 78 6.324 6.197 1.065 1.00 0.00 H new ATOM 0 HG CYS A 78 4.765 6.989 3.981 1.00 0.00 H new ATOM 847 N GLN A 79 9.545 6.861 2.006 1.00 0.00 N ATOM 848 CA GLN A 79 10.759 7.102 1.237 1.00 0.00 C ATOM 849 C GLN A 79 11.854 6.133 1.663 1.00 0.00 C ATOM 850 O GLN A 79 12.665 5.696 0.847 1.00 0.00 O ATOM 851 CB GLN A 79 11.232 8.544 1.425 1.00 0.00 C ATOM 852 CG GLN A 79 12.411 8.917 0.542 1.00 0.00 C ATOM 853 CD GLN A 79 12.792 10.379 0.666 1.00 0.00 C ATOM 854 OE1 GLN A 79 13.620 10.748 1.500 1.00 0.00 O ATOM 855 NE2 GLN A 79 12.188 11.222 -0.162 1.00 0.00 N ATOM 0 H GLN A 79 9.312 7.600 2.670 1.00 0.00 H new ATOM 0 HA GLN A 79 10.538 6.942 0.182 1.00 0.00 H new ATOM 0 HB2 GLN A 79 10.403 9.220 1.215 1.00 0.00 H new ATOM 0 HB3 GLN A 79 11.509 8.694 2.469 1.00 0.00 H new ATOM 0 HG2 GLN A 79 13.268 8.298 0.806 1.00 0.00 H new ATOM 0 HG3 GLN A 79 12.167 8.696 -0.497 1.00 0.00 H new ATOM 0 HE21 GLN A 79 11.508 10.874 -0.838 1.00 0.00 H new ATOM 0 HE22 GLN A 79 12.404 12.218 -0.123 1.00 0.00 H new ATOM 864 N ASP A 80 11.869 5.801 2.951 1.00 0.00 N ATOM 865 CA ASP A 80 12.858 4.876 3.490 1.00 0.00 C ATOM 866 C ASP A 80 12.613 3.467 2.961 1.00 0.00 C ATOM 867 O ASP A 80 13.519 2.633 2.940 1.00 0.00 O ATOM 868 CB ASP A 80 12.806 4.876 5.019 1.00 0.00 C ATOM 869 CG ASP A 80 13.863 3.980 5.634 1.00 0.00 C ATOM 870 OD1 ASP A 80 14.980 4.474 5.898 1.00 0.00 O ATOM 871 OD2 ASP A 80 13.574 2.785 5.852 1.00 0.00 O ATOM 0 H ASP A 80 11.207 6.159 3.640 1.00 0.00 H new ATOM 0 HA ASP A 80 13.847 5.204 3.170 1.00 0.00 H new ATOM 0 HB2 ASP A 80 12.940 5.894 5.384 1.00 0.00 H new ATOM 0 HB3 ASP A 80 11.820 4.547 5.346 1.00 0.00 H new ATOM 876 N LEU A 81 11.379 3.211 2.533 1.00 0.00 N ATOM 877 CA LEU A 81 11.003 1.910 2.001 1.00 0.00 C ATOM 878 C LEU A 81 11.666 1.662 0.650 1.00 0.00 C ATOM 879 O LEU A 81 11.796 0.520 0.210 1.00 0.00 O ATOM 880 CB LEU A 81 9.482 1.832 1.858 1.00 0.00 C ATOM 881 CG LEU A 81 8.767 0.914 2.855 1.00 0.00 C ATOM 882 CD1 LEU A 81 9.339 -0.496 2.802 1.00 0.00 C ATOM 883 CD2 LEU A 81 8.860 1.479 4.264 1.00 0.00 C ATOM 0 H LEU A 81 10.621 3.894 2.546 1.00 0.00 H new ATOM 0 HA LEU A 81 11.343 1.141 2.694 1.00 0.00 H new ATOM 0 HB2 LEU A 81 9.074 2.837 1.961 1.00 0.00 H new ATOM 0 HB3 LEU A 81 9.247 1.494 0.849 1.00 0.00 H new ATOM 0 HG LEU A 81 7.715 0.862 2.574 1.00 0.00 H new ATOM 0 HD11 LEU A 81 8.815 -1.128 3.519 1.00 0.00 H new ATOM 0 HD12 LEU A 81 9.212 -0.903 1.799 1.00 0.00 H new ATOM 0 HD13 LEU A 81 10.400 -0.468 3.051 1.00 0.00 H new ATOM 0 HD21 LEU A 81 8.346 0.813 4.958 1.00 0.00 H new ATOM 0 HD22 LEU A 81 9.907 1.566 4.553 1.00 0.00 H new ATOM 0 HD23 LEU A 81 8.393 2.463 4.293 1.00 0.00 H new ATOM 895 N CYS A 82 12.082 2.743 -0.003 1.00 0.00 N ATOM 896 CA CYS A 82 12.731 2.652 -1.305 1.00 0.00 C ATOM 897 C CYS A 82 14.224 2.944 -1.189 1.00 0.00 C ATOM 898 O CYS A 82 14.685 3.469 -0.175 1.00 0.00 O ATOM 899 CB CYS A 82 12.080 3.627 -2.289 1.00 0.00 C ATOM 900 SG CYS A 82 12.714 3.512 -3.978 1.00 0.00 S ATOM 0 H CYS A 82 11.980 3.694 0.350 1.00 0.00 H new ATOM 0 HA CYS A 82 12.608 1.635 -1.678 1.00 0.00 H new ATOM 0 HB2 CYS A 82 11.005 3.447 -2.304 1.00 0.00 H new ATOM 0 HB3 CYS A 82 12.228 4.644 -1.926 1.00 0.00 H new ATOM 0 HG CYS A 82 12.905 2.263 -4.286 1.00 0.00 H new ATOM 906 N ASP A 83 14.971 2.604 -2.233 1.00 0.00 N ATOM 907 CA ASP A 83 16.412 2.828 -2.253 1.00 0.00 C ATOM 908 C ASP A 83 16.740 4.314 -2.139 1.00 0.00 C ATOM 909 O ASP A 83 17.876 4.686 -1.841 1.00 0.00 O ATOM 910 CB ASP A 83 17.015 2.256 -3.536 1.00 0.00 C ATOM 911 CG ASP A 83 16.837 0.755 -3.637 1.00 0.00 C ATOM 912 OD1 ASP A 83 15.758 0.313 -4.087 1.00 0.00 O ATOM 913 OD2 ASP A 83 17.776 0.019 -3.266 1.00 0.00 O ATOM 0 H ASP A 83 14.601 2.171 -3.079 1.00 0.00 H new ATOM 0 HA ASP A 83 16.846 2.317 -1.393 1.00 0.00 H new ATOM 0 HB2 ASP A 83 16.549 2.733 -4.398 1.00 0.00 H new ATOM 0 HB3 ASP A 83 18.077 2.497 -3.574 1.00 0.00 H new ATOM 918 N GLY A 84 15.742 5.160 -2.380 1.00 0.00 N ATOM 919 CA GLY A 84 15.950 6.594 -2.295 1.00 0.00 C ATOM 920 C GLY A 84 15.166 7.361 -3.340 1.00 0.00 C ATOM 921 O GLY A 84 15.301 8.579 -3.456 1.00 0.00 O ATOM 0 H GLY A 84 14.795 4.878 -2.632 1.00 0.00 H new ATOM 0 HA2 GLY A 84 15.661 6.941 -1.303 1.00 0.00 H new ATOM 0 HA3 GLY A 84 17.012 6.811 -2.412 1.00 0.00 H new ATOM 925 N ASP A 85 14.342 6.649 -4.104 1.00 0.00 N ATOM 926 CA ASP A 85 13.534 7.274 -5.145 1.00 0.00 C ATOM 927 C ASP A 85 12.263 7.881 -4.554 1.00 0.00 C ATOM 928 O ASP A 85 11.420 7.169 -4.010 1.00 0.00 O ATOM 929 CB ASP A 85 13.176 6.250 -6.223 1.00 0.00 C ATOM 930 CG ASP A 85 12.495 6.883 -7.421 1.00 0.00 C ATOM 931 OD1 ASP A 85 13.211 7.374 -8.319 1.00 0.00 O ATOM 932 OD2 ASP A 85 11.248 6.885 -7.461 1.00 0.00 O ATOM 0 H ASP A 85 14.217 5.640 -4.021 1.00 0.00 H new ATOM 0 HA ASP A 85 14.119 8.075 -5.597 1.00 0.00 H new ATOM 0 HB2 ASP A 85 14.082 5.741 -6.551 1.00 0.00 H new ATOM 0 HB3 ASP A 85 12.521 5.491 -5.796 1.00 0.00 H new ATOM 937 N LEU A 86 12.138 9.200 -4.666 1.00 0.00 N ATOM 938 CA LEU A 86 10.978 9.911 -4.138 1.00 0.00 C ATOM 939 C LEU A 86 9.697 9.501 -4.861 1.00 0.00 C ATOM 940 O LEU A 86 8.676 9.236 -4.227 1.00 0.00 O ATOM 941 CB LEU A 86 11.185 11.423 -4.260 1.00 0.00 C ATOM 942 CG LEU A 86 9.973 12.281 -3.888 1.00 0.00 C ATOM 943 CD1 LEU A 86 9.607 12.092 -2.424 1.00 0.00 C ATOM 944 CD2 LEU A 86 10.250 13.748 -4.185 1.00 0.00 C ATOM 0 H LEU A 86 12.828 9.800 -5.119 1.00 0.00 H new ATOM 0 HA LEU A 86 10.873 9.644 -3.086 1.00 0.00 H new ATOM 0 HB2 LEU A 86 12.022 11.711 -3.624 1.00 0.00 H new ATOM 0 HB3 LEU A 86 11.471 11.652 -5.287 1.00 0.00 H new ATOM 0 HG LEU A 86 9.126 11.959 -4.494 1.00 0.00 H new ATOM 0 HD11 LEU A 86 8.743 12.711 -2.182 1.00 0.00 H new ATOM 0 HD12 LEU A 86 9.365 11.045 -2.242 1.00 0.00 H new ATOM 0 HD13 LEU A 86 10.450 12.384 -1.798 1.00 0.00 H new ATOM 0 HD21 LEU A 86 9.379 14.345 -3.915 1.00 0.00 H new ATOM 0 HD22 LEU A 86 11.111 14.080 -3.605 1.00 0.00 H new ATOM 0 HD23 LEU A 86 10.459 13.871 -5.248 1.00 0.00 H new ATOM 956 N ASN A 87 9.758 9.456 -6.189 1.00 0.00 N ATOM 957 CA ASN A 87 8.603 9.085 -7.004 1.00 0.00 C ATOM 958 C ASN A 87 7.976 7.781 -6.521 1.00 0.00 C ATOM 959 O ASN A 87 6.757 7.609 -6.577 1.00 0.00 O ATOM 960 CB ASN A 87 9.016 8.946 -8.469 1.00 0.00 C ATOM 961 CG ASN A 87 9.491 10.257 -9.063 1.00 0.00 C ATOM 962 OD1 ASN A 87 9.039 11.331 -8.668 1.00 0.00 O ATOM 963 ND2 ASN A 87 10.411 10.175 -10.017 1.00 0.00 N ATOM 0 H ASN A 87 10.598 9.673 -6.726 1.00 0.00 H new ATOM 0 HA ASN A 87 7.860 9.877 -6.908 1.00 0.00 H new ATOM 0 HB2 ASN A 87 9.811 8.204 -8.551 1.00 0.00 H new ATOM 0 HB3 ASN A 87 8.171 8.573 -9.048 1.00 0.00 H new ATOM 0 HD21 ASN A 87 10.771 11.024 -10.453 1.00 0.00 H new ATOM 0 HD22 ASN A 87 10.758 9.263 -10.314 1.00 0.00 H new ATOM 970 N LYS A 88 8.814 6.869 -6.049 1.00 0.00 N ATOM 971 CA LYS A 88 8.348 5.578 -5.559 1.00 0.00 C ATOM 972 C LYS A 88 7.495 5.747 -4.303 1.00 0.00 C ATOM 973 O LYS A 88 6.394 5.199 -4.209 1.00 0.00 O ATOM 974 CB LYS A 88 9.543 4.670 -5.264 1.00 0.00 C ATOM 975 CG LYS A 88 9.158 3.295 -4.740 1.00 0.00 C ATOM 976 CD LYS A 88 8.539 2.430 -5.827 1.00 0.00 C ATOM 977 CE LYS A 88 9.574 1.993 -6.853 1.00 0.00 C ATOM 978 NZ LYS A 88 10.747 1.334 -6.212 1.00 0.00 N ATOM 0 H LYS A 88 9.824 6.999 -5.995 1.00 0.00 H new ATOM 0 HA LYS A 88 7.731 5.120 -6.331 1.00 0.00 H new ATOM 0 HB2 LYS A 88 10.129 4.550 -6.175 1.00 0.00 H new ATOM 0 HB3 LYS A 88 10.187 5.159 -4.533 1.00 0.00 H new ATOM 0 HG2 LYS A 88 10.042 2.798 -4.339 1.00 0.00 H new ATOM 0 HG3 LYS A 88 8.452 3.404 -3.916 1.00 0.00 H new ATOM 0 HD2 LYS A 88 8.080 1.551 -5.375 1.00 0.00 H new ATOM 0 HD3 LYS A 88 7.744 2.985 -6.325 1.00 0.00 H new ATOM 0 HE2 LYS A 88 9.114 1.305 -7.563 1.00 0.00 H new ATOM 0 HE3 LYS A 88 9.910 2.860 -7.422 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 11.300 0.830 -6.935 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 11.345 2.054 -5.758 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 10.416 0.657 -5.495 1.00 0.00 H new ATOM 992 N ALA A 89 8.008 6.511 -3.345 1.00 0.00 N ATOM 993 CA ALA A 89 7.302 6.749 -2.091 1.00 0.00 C ATOM 994 C ALA A 89 6.006 7.524 -2.311 1.00 0.00 C ATOM 995 O ALA A 89 5.011 7.290 -1.628 1.00 0.00 O ATOM 996 CB ALA A 89 8.199 7.492 -1.114 1.00 0.00 C ATOM 0 H ALA A 89 8.913 6.977 -3.413 1.00 0.00 H new ATOM 0 HA ALA A 89 7.040 5.778 -1.670 1.00 0.00 H new ATOM 0 HB1 ALA A 89 7.659 7.663 -0.182 1.00 0.00 H new ATOM 0 HB2 ALA A 89 9.090 6.897 -0.913 1.00 0.00 H new ATOM 0 HB3 ALA A 89 8.492 8.450 -1.545 1.00 0.00 H new ATOM 1002 N ILE A 90 6.024 8.451 -3.265 1.00 0.00 N ATOM 1003 CA ILE A 90 4.847 9.258 -3.564 1.00 0.00 C ATOM 1004 C ILE A 90 3.670 8.384 -3.984 1.00 0.00 C ATOM 1005 O ILE A 90 2.617 8.401 -3.347 1.00 0.00 O ATOM 1006 CB ILE A 90 5.135 10.295 -4.670 1.00 0.00 C ATOM 1007 CG1 ILE A 90 6.192 11.295 -4.194 1.00 0.00 C ATOM 1008 CG2 ILE A 90 3.855 11.016 -5.073 1.00 0.00 C ATOM 1009 CD1 ILE A 90 6.605 12.298 -5.250 1.00 0.00 C ATOM 0 H ILE A 90 6.838 8.661 -3.842 1.00 0.00 H new ATOM 0 HA ILE A 90 4.588 9.788 -2.647 1.00 0.00 H new ATOM 0 HB ILE A 90 5.521 9.773 -5.546 1.00 0.00 H new ATOM 0 HG12 ILE A 90 5.806 11.832 -3.328 1.00 0.00 H new ATOM 0 HG13 ILE A 90 7.074 10.747 -3.863 1.00 0.00 H new ATOM 0 HG21 ILE A 90 4.077 11.743 -5.854 1.00 0.00 H new ATOM 0 HG22 ILE A 90 3.132 10.292 -5.447 1.00 0.00 H new ATOM 0 HG23 ILE A 90 3.439 11.530 -4.207 1.00 0.00 H new ATOM 0 HD11 ILE A 90 7.356 12.972 -4.838 1.00 0.00 H new ATOM 0 HD12 ILE A 90 7.022 11.772 -6.109 1.00 0.00 H new ATOM 0 HD13 ILE A 90 5.735 12.874 -5.565 1.00 0.00 H new ATOM 1021 N LYS A 91 3.851 7.622 -5.058 1.00 0.00 N ATOM 1022 CA LYS A 91 2.797 6.745 -5.555 1.00 0.00 C ATOM 1023 C LYS A 91 2.376 5.744 -4.483 1.00 0.00 C ATOM 1024 O LYS A 91 1.233 5.289 -4.460 1.00 0.00 O ATOM 1025 CB LYS A 91 3.261 6.010 -6.815 1.00 0.00 C ATOM 1026 CG LYS A 91 3.642 6.939 -7.961 1.00 0.00 C ATOM 1027 CD LYS A 91 2.493 7.860 -8.353 1.00 0.00 C ATOM 1028 CE LYS A 91 1.313 7.082 -8.913 1.00 0.00 C ATOM 1029 NZ LYS A 91 1.660 6.385 -10.182 1.00 0.00 N ATOM 0 H LYS A 91 4.715 7.594 -5.599 1.00 0.00 H new ATOM 0 HA LYS A 91 1.934 7.361 -5.808 1.00 0.00 H new ATOM 0 HB2 LYS A 91 4.118 5.385 -6.565 1.00 0.00 H new ATOM 0 HB3 LYS A 91 2.467 5.343 -7.149 1.00 0.00 H new ATOM 0 HG2 LYS A 91 4.505 7.539 -7.671 1.00 0.00 H new ATOM 0 HG3 LYS A 91 3.942 6.346 -8.825 1.00 0.00 H new ATOM 0 HD2 LYS A 91 2.172 8.431 -7.482 1.00 0.00 H new ATOM 0 HD3 LYS A 91 2.840 8.579 -9.095 1.00 0.00 H new ATOM 0 HE2 LYS A 91 0.978 6.351 -8.177 1.00 0.00 H new ATOM 0 HE3 LYS A 91 0.480 7.762 -9.089 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 0.791 6.038 -10.636 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 2.144 7.048 -10.821 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 2.288 5.582 -9.976 1.00 0.00 H new ATOM 1043 N PHE A 92 3.309 5.406 -3.598 1.00 0.00 N ATOM 1044 CA PHE A 92 3.033 4.469 -2.514 1.00 0.00 C ATOM 1045 C PHE A 92 1.976 5.037 -1.571 1.00 0.00 C ATOM 1046 O PHE A 92 0.891 4.467 -1.416 1.00 0.00 O ATOM 1047 CB PHE A 92 4.325 4.164 -1.748 1.00 0.00 C ATOM 1048 CG PHE A 92 4.161 3.179 -0.621 1.00 0.00 C ATOM 1049 CD1 PHE A 92 3.573 1.942 -0.838 1.00 0.00 C ATOM 1050 CD2 PHE A 92 4.607 3.490 0.653 1.00 0.00 C ATOM 1051 CE1 PHE A 92 3.434 1.035 0.197 1.00 0.00 C ATOM 1052 CE2 PHE A 92 4.469 2.588 1.692 1.00 0.00 C ATOM 1053 CZ PHE A 92 3.882 1.359 1.463 1.00 0.00 C ATOM 0 H PHE A 92 4.263 5.767 -3.610 1.00 0.00 H new ATOM 0 HA PHE A 92 2.647 3.543 -2.940 1.00 0.00 H new ATOM 0 HB2 PHE A 92 5.065 3.777 -2.448 1.00 0.00 H new ATOM 0 HB3 PHE A 92 4.723 5.095 -1.345 1.00 0.00 H new ATOM 0 HD1 PHE A 92 3.220 1.684 -1.826 1.00 0.00 H new ATOM 0 HD2 PHE A 92 5.068 4.449 0.837 1.00 0.00 H new ATOM 0 HE1 PHE A 92 2.976 0.074 0.016 1.00 0.00 H new ATOM 0 HE2 PHE A 92 4.820 2.844 2.681 1.00 0.00 H new ATOM 0 HZ PHE A 92 3.773 0.652 2.272 1.00 0.00 H new ATOM 1063 N LYS A 93 2.296 6.168 -0.952 1.00 0.00 N ATOM 1064 CA LYS A 93 1.379 6.821 -0.027 1.00 0.00 C ATOM 1065 C LYS A 93 0.073 7.194 -0.726 1.00 0.00 C ATOM 1066 O LYS A 93 -0.973 7.307 -0.086 1.00 0.00 O ATOM 1067 CB LYS A 93 2.030 8.070 0.566 1.00 0.00 C ATOM 1068 CG LYS A 93 1.182 8.745 1.631 1.00 0.00 C ATOM 1069 CD LYS A 93 1.930 9.884 2.300 1.00 0.00 C ATOM 1070 CE LYS A 93 1.097 10.518 3.400 1.00 0.00 C ATOM 1071 NZ LYS A 93 0.675 9.520 4.421 1.00 0.00 N ATOM 0 H LYS A 93 3.185 6.652 -1.075 1.00 0.00 H new ATOM 0 HA LYS A 93 1.150 6.121 0.777 1.00 0.00 H new ATOM 0 HB2 LYS A 93 2.993 7.798 0.997 1.00 0.00 H new ATOM 0 HB3 LYS A 93 2.229 8.782 -0.235 1.00 0.00 H new ATOM 0 HG2 LYS A 93 0.265 9.126 1.180 1.00 0.00 H new ATOM 0 HG3 LYS A 93 0.887 8.012 2.382 1.00 0.00 H new ATOM 0 HD2 LYS A 93 2.866 9.512 2.717 1.00 0.00 H new ATOM 0 HD3 LYS A 93 2.190 10.638 1.557 1.00 0.00 H new ATOM 0 HE2 LYS A 93 1.672 11.309 3.881 1.00 0.00 H new ATOM 0 HE3 LYS A 93 0.215 10.986 2.963 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 0.336 10.015 5.271 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 -0.090 8.931 4.035 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 1.484 8.917 4.672 1.00 0.00 H new ATOM 1085 N ILE A 94 0.142 7.382 -2.042 1.00 0.00 N ATOM 1086 CA ILE A 94 -1.036 7.738 -2.825 1.00 0.00 C ATOM 1087 C ILE A 94 -2.029 6.583 -2.894 1.00 0.00 C ATOM 1088 O ILE A 94 -3.134 6.675 -2.362 1.00 0.00 O ATOM 1089 CB ILE A 94 -0.661 8.161 -4.261 1.00 0.00 C ATOM 1090 CG1 ILE A 94 -0.069 9.573 -4.260 1.00 0.00 C ATOM 1091 CG2 ILE A 94 -1.881 8.083 -5.172 1.00 0.00 C ATOM 1092 CD1 ILE A 94 0.468 10.010 -5.608 1.00 0.00 C ATOM 0 H ILE A 94 1.000 7.294 -2.586 1.00 0.00 H new ATOM 0 HA ILE A 94 -1.500 8.583 -2.315 1.00 0.00 H new ATOM 0 HB ILE A 94 0.094 7.475 -4.645 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -0.835 10.278 -3.938 1.00 0.00 H new ATOM 0 HG13 ILE A 94 0.735 9.619 -3.526 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -1.601 8.384 -6.181 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -2.257 7.060 -5.190 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -2.658 8.749 -4.797 1.00 0.00 H new ATOM 0 HD11 ILE A 94 0.871 11.020 -5.529 1.00 0.00 H new ATOM 0 HD12 ILE A 94 1.257 9.328 -5.924 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -0.338 9.997 -6.342 1.00 0.00 H new ATOM 1104 N LEU A 95 -1.631 5.501 -3.565 1.00 0.00 N ATOM 1105 CA LEU A 95 -2.490 4.331 -3.711 1.00 0.00 C ATOM 1106 C LEU A 95 -3.090 3.928 -2.371 1.00 0.00 C ATOM 1107 O LEU A 95 -4.195 3.391 -2.311 1.00 0.00 O ATOM 1108 CB LEU A 95 -1.701 3.159 -4.302 1.00 0.00 C ATOM 1109 CG LEU A 95 -1.082 3.418 -5.678 1.00 0.00 C ATOM 1110 CD1 LEU A 95 -0.322 2.190 -6.157 1.00 0.00 C ATOM 1111 CD2 LEU A 95 -2.155 3.807 -6.685 1.00 0.00 C ATOM 0 H LEU A 95 -0.720 5.413 -4.015 1.00 0.00 H new ATOM 0 HA LEU A 95 -3.302 4.592 -4.390 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -0.905 2.891 -3.608 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -2.363 2.296 -4.376 1.00 0.00 H new ATOM 0 HG LEU A 95 -0.380 4.247 -5.589 1.00 0.00 H new ATOM 0 HD11 LEU A 95 0.112 2.390 -7.137 1.00 0.00 H new ATOM 0 HD12 LEU A 95 0.473 1.955 -5.449 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -1.006 1.344 -6.229 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -1.694 3.987 -7.656 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -2.882 3.000 -6.772 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -2.658 4.714 -6.349 1.00 0.00 H new ATOM 1123 N ILE A 96 -2.353 4.192 -1.298 1.00 0.00 N ATOM 1124 CA ILE A 96 -2.820 3.862 0.037 1.00 0.00 C ATOM 1125 C ILE A 96 -3.858 4.867 0.528 1.00 0.00 C ATOM 1126 O ILE A 96 -4.839 4.494 1.171 1.00 0.00 O ATOM 1127 CB ILE A 96 -1.652 3.800 1.040 1.00 0.00 C ATOM 1128 CG1 ILE A 96 -0.663 2.712 0.624 1.00 0.00 C ATOM 1129 CG2 ILE A 96 -2.168 3.545 2.450 1.00 0.00 C ATOM 1130 CD1 ILE A 96 0.661 2.785 1.351 1.00 0.00 C ATOM 0 H ILE A 96 -1.433 4.632 -1.329 1.00 0.00 H new ATOM 0 HA ILE A 96 -3.285 2.878 -0.025 1.00 0.00 H new ATOM 0 HB ILE A 96 -1.137 4.761 1.037 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -1.113 1.736 0.804 1.00 0.00 H new ATOM 0 HG13 ILE A 96 -0.483 2.787 -0.448 1.00 0.00 H new ATOM 0 HG21 ILE A 96 -1.328 3.505 3.143 1.00 0.00 H new ATOM 0 HG22 ILE A 96 -2.841 4.351 2.742 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -2.705 2.597 2.475 1.00 0.00 H new ATOM 0 HD11 ILE A 96 1.311 1.982 1.004 1.00 0.00 H new ATOM 0 HD12 ILE A 96 1.133 3.747 1.151 1.00 0.00 H new ATOM 0 HD13 ILE A 96 0.494 2.679 2.423 1.00 0.00 H new ATOM 1142 N ASN A 97 -3.640 6.142 0.220 1.00 0.00 N ATOM 1143 CA ASN A 97 -4.561 7.193 0.634 1.00 0.00 C ATOM 1144 C ASN A 97 -5.908 7.045 -0.066 1.00 0.00 C ATOM 1145 O ASN A 97 -6.960 7.139 0.566 1.00 0.00 O ATOM 1146 CB ASN A 97 -3.968 8.572 0.339 1.00 0.00 C ATOM 1147 CG ASN A 97 -4.861 9.700 0.818 1.00 0.00 C ATOM 1148 OD1 ASN A 97 -5.588 9.556 1.802 1.00 0.00 O ATOM 1149 ND2 ASN A 97 -4.812 10.831 0.124 1.00 0.00 N ATOM 0 H ASN A 97 -2.835 6.471 -0.314 1.00 0.00 H new ATOM 0 HA ASN A 97 -4.718 7.097 1.708 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -2.993 8.655 0.819 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -3.805 8.672 -0.734 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -5.391 11.624 0.400 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -4.195 10.907 -0.685 1.00 0.00 H new ATOM 1156 N LYS A 98 -5.867 6.812 -1.375 1.00 0.00 N ATOM 1157 CA LYS A 98 -7.083 6.650 -2.164 1.00 0.00 C ATOM 1158 C LYS A 98 -7.863 5.417 -1.720 1.00 0.00 C ATOM 1159 O LYS A 98 -9.053 5.501 -1.413 1.00 0.00 O ATOM 1160 CB LYS A 98 -6.739 6.541 -3.651 1.00 0.00 C ATOM 1161 CG LYS A 98 -5.951 7.726 -4.186 1.00 0.00 C ATOM 1162 CD LYS A 98 -6.760 9.011 -4.115 1.00 0.00 C ATOM 1163 CE LYS A 98 -5.985 10.191 -4.680 1.00 0.00 C ATOM 1164 NZ LYS A 98 -6.787 11.446 -4.654 1.00 0.00 N ATOM 0 H LYS A 98 -5.003 6.731 -1.912 1.00 0.00 H new ATOM 0 HA LYS A 98 -7.708 7.528 -2.004 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -6.164 5.630 -3.816 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -7.662 6.443 -4.222 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -5.031 7.842 -3.612 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -5.660 7.534 -5.219 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -7.691 8.887 -4.669 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -7.030 9.215 -3.079 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -5.070 10.333 -4.105 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -5.687 9.972 -5.705 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -6.223 12.226 -5.047 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -7.648 11.320 -5.223 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -7.050 11.669 -3.673 1.00 0.00 H new ATOM 1178 N MET A 99 -7.187 4.273 -1.692 1.00 0.00 N ATOM 1179 CA MET A 99 -7.816 3.021 -1.286 1.00 0.00 C ATOM 1180 C MET A 99 -8.403 3.142 0.116 1.00 0.00 C ATOM 1181 O MET A 99 -9.449 2.564 0.414 1.00 0.00 O ATOM 1182 CB MET A 99 -6.796 1.878 -1.337 1.00 0.00 C ATOM 1183 CG MET A 99 -7.411 0.496 -1.169 1.00 0.00 C ATOM 1184 SD MET A 99 -7.773 0.092 0.551 1.00 0.00 S ATOM 1185 CE MET A 99 -8.504 -1.532 0.369 1.00 0.00 C ATOM 0 H MET A 99 -6.203 4.187 -1.946 1.00 0.00 H new ATOM 0 HA MET A 99 -8.628 2.802 -1.980 1.00 0.00 H new ATOM 0 HB2 MET A 99 -6.268 1.917 -2.290 1.00 0.00 H new ATOM 0 HB3 MET A 99 -6.053 2.032 -0.555 1.00 0.00 H new ATOM 0 HG2 MET A 99 -8.331 0.440 -1.751 1.00 0.00 H new ATOM 0 HG3 MET A 99 -6.730 -0.251 -1.577 1.00 0.00 H new ATOM 0 HE1 MET A 99 -8.489 -2.048 1.329 1.00 0.00 H new ATOM 0 HE2 MET A 99 -9.534 -1.431 0.028 1.00 0.00 H new ATOM 0 HE3 MET A 99 -7.935 -2.108 -0.361 1.00 0.00 H new ATOM 1195 N ARG A 100 -7.727 3.902 0.972 1.00 0.00 N ATOM 1196 CA ARG A 100 -8.180 4.105 2.344 1.00 0.00 C ATOM 1197 C ARG A 100 -9.542 4.790 2.372 1.00 0.00 C ATOM 1198 O ARG A 100 -10.427 4.404 3.138 1.00 0.00 O ATOM 1199 CB ARG A 100 -7.160 4.940 3.121 1.00 0.00 C ATOM 1200 CG ARG A 100 -7.575 5.229 4.555 1.00 0.00 C ATOM 1201 CD ARG A 100 -6.567 6.125 5.258 1.00 0.00 C ATOM 1202 NE ARG A 100 -7.003 6.486 6.604 1.00 0.00 N ATOM 1203 CZ ARG A 100 -6.463 7.470 7.317 1.00 0.00 C ATOM 1204 NH1 ARG A 100 -5.471 8.193 6.812 1.00 0.00 N ATOM 1205 NH2 ARG A 100 -6.914 7.733 8.534 1.00 0.00 N ATOM 0 H ARG A 100 -6.861 4.389 0.739 1.00 0.00 H new ATOM 0 HA ARG A 100 -8.276 3.128 2.817 1.00 0.00 H new ATOM 0 HB2 ARG A 100 -6.204 4.417 3.127 1.00 0.00 H new ATOM 0 HB3 ARG A 100 -7.003 5.884 2.600 1.00 0.00 H new ATOM 0 HG2 ARG A 100 -8.555 5.707 4.562 1.00 0.00 H new ATOM 0 HG3 ARG A 100 -7.674 4.291 5.102 1.00 0.00 H new ATOM 0 HD2 ARG A 100 -5.605 5.615 5.313 1.00 0.00 H new ATOM 0 HD3 ARG A 100 -6.415 7.031 4.671 1.00 0.00 H new ATOM 0 HE ARG A 100 -7.766 5.953 7.021 1.00 0.00 H new ATOM 0 HH11 ARG A 100 -5.121 7.994 5.875 1.00 0.00 H new ATOM 0 HH12 ARG A 100 -5.059 8.947 7.361 1.00 0.00 H new ATOM 0 HH21 ARG A 100 -7.677 7.180 8.926 1.00 0.00 H new ATOM 0 HH22 ARG A 100 -6.499 8.488 9.080 1.00 0.00 H new ATOM 1219 N ASP A 101 -9.703 5.810 1.535 1.00 0.00 N ATOM 1220 CA ASP A 101 -10.958 6.551 1.464 1.00 0.00 C ATOM 1221 C ASP A 101 -12.057 5.701 0.833 1.00 0.00 C ATOM 1222 O ASP A 101 -13.028 5.335 1.495 1.00 0.00 O ATOM 1223 CB ASP A 101 -10.769 7.838 0.661 1.00 0.00 C ATOM 1224 CG ASP A 101 -12.062 8.614 0.503 1.00 0.00 C ATOM 1225 OD1 ASP A 101 -12.479 9.275 1.477 1.00 0.00 O ATOM 1226 OD2 ASP A 101 -12.657 8.561 -0.593 1.00 0.00 O ATOM 0 H ASP A 101 -8.980 6.142 0.896 1.00 0.00 H new ATOM 0 HA ASP A 101 -11.259 6.806 2.480 1.00 0.00 H new ATOM 0 HB2 ASP A 101 -10.029 8.467 1.156 1.00 0.00 H new ATOM 0 HB3 ASP A 101 -10.372 7.594 -0.324 1.00 0.00 H new ATOM 1231 N SER A 102 -11.895 5.392 -0.449 1.00 0.00 N ATOM 1232 CA SER A 102 -12.873 4.584 -1.172 1.00 0.00 C ATOM 1233 C SER A 102 -12.297 4.094 -2.496 1.00 0.00 C ATOM 1234 O SER A 102 -11.339 4.665 -3.017 1.00 0.00 O ATOM 1235 CB SER A 102 -14.148 5.391 -1.421 1.00 0.00 C ATOM 1236 OG SER A 102 -13.878 6.553 -2.183 1.00 0.00 O ATOM 0 H SER A 102 -11.096 5.688 -1.010 1.00 0.00 H new ATOM 0 HA SER A 102 -13.117 3.716 -0.560 1.00 0.00 H new ATOM 0 HB2 SER A 102 -14.877 4.772 -1.943 1.00 0.00 H new ATOM 0 HB3 SER A 102 -14.595 5.674 -0.468 1.00 0.00 H new ATOM 0 HG SER A 102 -13.459 7.229 -1.611 1.00 0.00 H new ATOM 1242 N LYS A 103 -12.888 3.033 -3.036 1.00 0.00 N ATOM 1243 CA LYS A 103 -12.434 2.462 -4.298 1.00 0.00 C ATOM 1244 C LYS A 103 -13.618 1.935 -5.105 1.00 0.00 C ATOM 1245 O LYS A 103 -13.489 0.968 -5.858 1.00 0.00 O ATOM 1246 CB LYS A 103 -11.431 1.334 -4.033 1.00 0.00 C ATOM 1247 CG LYS A 103 -10.590 0.951 -5.243 1.00 0.00 C ATOM 1248 CD LYS A 103 -9.645 2.072 -5.648 1.00 0.00 C ATOM 1249 CE LYS A 103 -8.677 1.620 -6.730 1.00 0.00 C ATOM 1250 NZ LYS A 103 -7.776 2.724 -7.164 1.00 0.00 N ATOM 0 H LYS A 103 -13.684 2.551 -2.618 1.00 0.00 H new ATOM 0 HA LYS A 103 -11.943 3.244 -4.877 1.00 0.00 H new ATOM 0 HB2 LYS A 103 -10.767 1.636 -3.224 1.00 0.00 H new ATOM 0 HB3 LYS A 103 -11.974 0.454 -3.688 1.00 0.00 H new ATOM 0 HG2 LYS A 103 -10.014 0.053 -5.017 1.00 0.00 H new ATOM 0 HG3 LYS A 103 -11.245 0.707 -6.079 1.00 0.00 H new ATOM 0 HD2 LYS A 103 -10.222 2.924 -6.007 1.00 0.00 H new ATOM 0 HD3 LYS A 103 -9.086 2.411 -4.776 1.00 0.00 H new ATOM 0 HE2 LYS A 103 -8.079 0.788 -6.358 1.00 0.00 H new ATOM 0 HE3 LYS A 103 -9.238 1.250 -7.588 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 -7.131 2.376 -7.902 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 -8.345 3.508 -7.543 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 -7.222 3.060 -6.351 1.00 0.00 H new ATOM 1264 N LEU A 104 -14.771 2.584 -4.951 1.00 0.00 N ATOM 1265 CA LEU A 104 -15.980 2.177 -5.650 1.00 0.00 C ATOM 1266 C LEU A 104 -17.096 3.192 -5.437 1.00 0.00 C ATOM 1267 O LEU A 104 -17.804 3.561 -6.374 1.00 0.00 O ATOM 1268 CB LEU A 104 -16.421 0.815 -5.135 1.00 0.00 C ATOM 1269 CG LEU A 104 -17.011 -0.124 -6.188 1.00 0.00 C ATOM 1270 CD1 LEU A 104 -15.940 -0.565 -7.174 1.00 0.00 C ATOM 1271 CD2 LEU A 104 -17.658 -1.330 -5.525 1.00 0.00 C ATOM 0 H LEU A 104 -14.889 3.396 -4.345 1.00 0.00 H new ATOM 0 HA LEU A 104 -15.767 2.120 -6.718 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -15.563 0.324 -4.675 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -17.162 0.965 -4.350 1.00 0.00 H new ATOM 0 HG LEU A 104 -17.779 0.418 -6.739 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -16.380 -1.232 -7.915 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -15.524 0.309 -7.675 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -15.147 -1.088 -6.640 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -18.072 -1.987 -6.290 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -16.910 -1.873 -4.947 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -18.456 -0.996 -4.862 1.00 0.00 H new ATOM 1283 N GLU A 105 -17.245 3.639 -4.193 1.00 0.00 N ATOM 1284 CA GLU A 105 -18.277 4.607 -3.847 1.00 0.00 C ATOM 1285 C GLU A 105 -17.723 6.029 -3.880 1.00 0.00 C ATOM 1286 O GLU A 105 -18.096 6.874 -3.068 1.00 0.00 O ATOM 1287 CB GLU A 105 -18.845 4.293 -2.459 1.00 0.00 C ATOM 1288 CG GLU A 105 -20.171 4.978 -2.169 1.00 0.00 C ATOM 1289 CD GLU A 105 -21.286 4.495 -3.076 1.00 0.00 C ATOM 1290 OE1 GLU A 105 -21.427 5.043 -4.188 1.00 0.00 O ATOM 1291 OE2 GLU A 105 -22.018 3.565 -2.673 1.00 0.00 O ATOM 0 H GLU A 105 -16.663 3.345 -3.409 1.00 0.00 H new ATOM 0 HA GLU A 105 -19.076 4.536 -4.585 1.00 0.00 H new ATOM 0 HB2 GLU A 105 -18.976 3.215 -2.366 1.00 0.00 H new ATOM 0 HB3 GLU A 105 -18.119 4.593 -1.703 1.00 0.00 H new ATOM 0 HG2 GLU A 105 -20.449 4.799 -1.130 1.00 0.00 H new ATOM 0 HG3 GLU A 105 -20.053 6.055 -2.286 1.00 0.00 H new ATOM 1298 N TRP A 106 -16.834 6.288 -4.834 1.00 0.00 N ATOM 1299 CA TRP A 106 -16.235 7.611 -4.974 1.00 0.00 C ATOM 1300 C TRP A 106 -16.874 8.388 -6.121 1.00 0.00 C ATOM 1301 O TRP A 106 -16.310 9.370 -6.605 1.00 0.00 O ATOM 1302 CB TRP A 106 -14.715 7.527 -5.183 1.00 0.00 C ATOM 1303 CG TRP A 106 -14.217 6.285 -5.880 1.00 0.00 C ATOM 1304 CD1 TRP A 106 -13.075 5.603 -5.576 1.00 0.00 C ATOM 1305 CD2 TRP A 106 -14.810 5.589 -6.991 1.00 0.00 C ATOM 1306 NE1 TRP A 106 -12.919 4.534 -6.421 1.00 0.00 N ATOM 1307 CE2 TRP A 106 -13.969 4.501 -7.297 1.00 0.00 C ATOM 1308 CE3 TRP A 106 -15.965 5.772 -7.755 1.00 0.00 C ATOM 1309 CZ2 TRP A 106 -14.246 3.609 -8.329 1.00 0.00 C ATOM 1310 CZ3 TRP A 106 -16.240 4.885 -8.779 1.00 0.00 C ATOM 1311 CH2 TRP A 106 -15.382 3.816 -9.059 1.00 0.00 C ATOM 0 H TRP A 106 -16.514 5.603 -5.519 1.00 0.00 H new ATOM 0 HA TRP A 106 -16.423 8.143 -4.042 1.00 0.00 H new ATOM 0 HB2 TRP A 106 -14.398 8.396 -5.759 1.00 0.00 H new ATOM 0 HB3 TRP A 106 -14.229 7.595 -4.210 1.00 0.00 H new ATOM 0 HD1 TRP A 106 -12.391 5.867 -4.783 1.00 0.00 H new ATOM 0 HE1 TRP A 106 -12.145 3.870 -6.400 1.00 0.00 H new ATOM 0 HE3 TRP A 106 -16.634 6.595 -7.549 1.00 0.00 H new ATOM 0 HZ2 TRP A 106 -13.586 2.782 -8.545 1.00 0.00 H new ATOM 0 HZ3 TRP A 106 -17.132 5.019 -9.373 1.00 0.00 H new ATOM 0 HH2 TRP A 106 -15.622 3.142 -9.868 1.00 0.00 H new ATOM 1322 N LYS A 107 -18.053 7.948 -6.548 1.00 0.00 N ATOM 1323 CA LYS A 107 -18.763 8.609 -7.637 1.00 0.00 C ATOM 1324 C LYS A 107 -19.957 9.395 -7.108 1.00 0.00 C ATOM 1325 O LYS A 107 -21.069 8.873 -7.022 1.00 0.00 O ATOM 1326 CB LYS A 107 -19.228 7.587 -8.675 1.00 0.00 C ATOM 1327 CG LYS A 107 -19.852 8.214 -9.912 1.00 0.00 C ATOM 1328 CD LYS A 107 -18.805 8.887 -10.787 1.00 0.00 C ATOM 1329 CE LYS A 107 -19.438 9.564 -11.993 1.00 0.00 C ATOM 1330 NZ LYS A 107 -18.417 10.175 -12.888 1.00 0.00 N ATOM 0 H LYS A 107 -18.536 7.139 -6.158 1.00 0.00 H new ATOM 0 HA LYS A 107 -18.073 9.305 -8.114 1.00 0.00 H new ATOM 0 HB2 LYS A 107 -18.377 6.977 -8.978 1.00 0.00 H new ATOM 0 HB3 LYS A 107 -19.953 6.917 -8.213 1.00 0.00 H new ATOM 0 HG2 LYS A 107 -20.370 7.447 -10.488 1.00 0.00 H new ATOM 0 HG3 LYS A 107 -20.601 8.946 -9.611 1.00 0.00 H new ATOM 0 HD2 LYS A 107 -18.258 9.625 -10.200 1.00 0.00 H new ATOM 0 HD3 LYS A 107 -18.080 8.146 -11.123 1.00 0.00 H new ATOM 0 HE2 LYS A 107 -20.022 8.834 -12.554 1.00 0.00 H new ATOM 0 HE3 LYS A 107 -20.131 10.334 -11.654 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 -18.890 10.626 -13.697 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 -17.876 10.890 -12.361 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 -17.771 9.437 -13.232 1.00 0.00 H new ATOM 1344 N ASP A 108 -19.717 10.651 -6.748 1.00 0.00 N ATOM 1345 CA ASP A 108 -20.771 11.513 -6.228 1.00 0.00 C ATOM 1346 C ASP A 108 -20.866 12.805 -7.033 1.00 0.00 C ATOM 1347 O ASP A 108 -21.662 12.844 -7.995 1.00 0.00 O ATOM 1348 CB ASP A 108 -20.517 11.832 -4.753 1.00 0.00 C ATOM 1349 CG ASP A 108 -20.450 10.583 -3.895 1.00 0.00 C ATOM 1350 OD1 ASP A 108 -19.346 10.017 -3.757 1.00 0.00 O ATOM 1351 OD2 ASP A 108 -21.502 10.171 -3.361 1.00 0.00 O ATOM 1352 OXT ASP A 108 -20.144 13.767 -6.695 1.00 0.00 O ATOM 0 H ASP A 108 -18.801 11.095 -6.807 1.00 0.00 H new ATOM 0 HA ASP A 108 -21.718 10.981 -6.319 1.00 0.00 H new ATOM 0 HB2 ASP A 108 -19.582 12.385 -4.659 1.00 0.00 H new ATOM 0 HB3 ASP A 108 -21.310 12.482 -4.383 1.00 0.00 H new TER 1357 ASP A 108