USER MOD reduce.3.24.130724 H: found=0, std=0, add=795, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 795 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 38 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 39 GLN :FLIP amide:sc= -0.56 F(o=-3.1!,f=-1) USER MOD Set 1.3: A 42 GLN :FLIP amide:sc= -0.458 F(o=-3.4!,f=-1) USER MOD Single : A 1 GLU N :NH3+ -164:sc= -0.039 (180deg=-0.423) USER MOD Single : A 2 SER OG : rot -10:sc= 0.833 USER MOD Single : A 4 SER OG : rot 180:sc=-0.000536 USER MOD Single : A 8 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 9 ASN : amide:sc= -0.6 K(o=-0.6,f=-2.5!) USER MOD Single : A 12 SER OG : rot -51:sc= 1.07 USER MOD Single : A 13 TYR OH : rot 35:sc= -2.21! USER MOD Single : A 15 ASN : amide:sc= -0.453 K(o=-0.45,f=-2.7!) USER MOD Single : A 16 LYS NZ :NH3+ 160:sc= -0.17 (180deg=-0.763) USER MOD Single : A 18 LYS NZ :NH3+ 166:sc= -2.06! (180deg=-2.99!) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 HIS : no HD1:sc= -2.76! C(o=-2.8!,f=-7.3!) USER MOD Single : A 28 TYR OH : rot 180:sc= -0.0745 USER MOD Single : A 30 SER OG : rot -19:sc= -0.281 USER MOD Single : A 36 HIS : no HD1:sc=-0.00762 X(o=-0.0076,f=-0.14) USER MOD Single : A 37 THR OG1 : rot 74:sc= 1.32 USER MOD Single : A 40 LYS NZ :NH3+ 166:sc= -0.0438 (180deg=-0.25) USER MOD Single : A 44 HIS :FLIP no HD1:sc= -0.289 F(o=-3.5!,f=-0.29) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 LYS NZ :NH3+ 168:sc= -0.0282 (180deg=-0.178) USER MOD Single : A 53 MET CE :methyl -132:sc= -0.152 (180deg=-4.57!) USER MOD Single : A 54 SER OG : rot 180:sc= -1.34 USER MOD Single : A 60 THR OG1 : rot 76:sc= 1.27 USER MOD Single : A 64 ASN :FLIP amide:sc= -1.98 F(o=-6!,f=-2) USER MOD Single : A 69 GLN :FLIP amide:sc= -0.606 F(o=-3.2!,f=-0.61) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 78 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 1 ASN : amide:sc= -0.0626 X(o=-0.063,f=-0.062) USER MOD Single : B 1 ASN N :NH3+ -167:sc= 0 (180deg=-0.234) USER MOD Single : B 3 GLN :FLIP amide:sc= -2.1 F(o=-5.6!,f=-2.1) USER MOD Single : B 4 MET CE :methyl -115:sc= -0.223 (180deg=-3.98!) USER MOD Single : B 11 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 1 -0.597 17.930 -6.161 1.00 0.00 N ATOM 2 CA GLU A 1 0.086 18.160 -4.862 1.00 0.00 C ATOM 3 C GLU A 1 -0.914 18.200 -3.712 1.00 0.00 C ATOM 4 O GLU A 1 -0.690 17.602 -2.659 1.00 0.00 O ATOM 5 CB GLU A 1 0.853 19.482 -4.943 1.00 0.00 C ATOM 6 CG GLU A 1 1.910 19.505 -6.034 1.00 0.00 C ATOM 7 CD GLU A 1 2.669 20.816 -6.082 1.00 0.00 C ATOM 8 OE1 GLU A 1 3.309 21.169 -5.069 1.00 0.00 O ATOM 9 OE2 GLU A 1 2.624 21.490 -7.133 1.00 0.00 O ATOM 0 H1 GLU A 1 0.102 17.639 -6.874 1.00 0.00 H new ATOM 0 H2 GLU A 1 -1.310 17.181 -6.050 1.00 0.00 H new ATOM 0 H3 GLU A 1 -1.062 18.808 -6.469 1.00 0.00 H new ATOM 0 HA GLU A 1 0.774 17.337 -4.668 1.00 0.00 H new ATOM 0 HB2 GLU A 1 0.146 20.293 -5.117 1.00 0.00 H new ATOM 0 HB3 GLU A 1 1.330 19.675 -3.982 1.00 0.00 H new ATOM 0 HG2 GLU A 1 2.613 18.688 -5.871 1.00 0.00 H new ATOM 0 HG3 GLU A 1 1.435 19.329 -6.999 1.00 0.00 H new ATOM 18 N SER A 2 -2.022 18.906 -3.923 1.00 0.00 N ATOM 19 CA SER A 2 -3.061 19.025 -2.906 1.00 0.00 C ATOM 20 C SER A 2 -4.384 19.456 -3.531 1.00 0.00 C ATOM 21 O SER A 2 -5.124 20.257 -2.956 1.00 0.00 O ATOM 22 CB SER A 2 -2.645 20.032 -1.829 1.00 0.00 C ATOM 23 OG SER A 2 -1.462 19.616 -1.169 1.00 0.00 O ATOM 0 H SER A 2 -2.223 19.404 -4.790 1.00 0.00 H new ATOM 0 HA SER A 2 -3.194 18.046 -2.445 1.00 0.00 H new ATOM 0 HB2 SER A 2 -2.486 21.010 -2.283 1.00 0.00 H new ATOM 0 HB3 SER A 2 -3.450 20.145 -1.102 1.00 0.00 H new ATOM 0 HG SER A 2 -1.251 18.694 -1.426 1.00 0.00 H new ATOM 29 N ASP A 3 -4.677 18.913 -4.711 1.00 0.00 N ATOM 30 CA ASP A 3 -5.911 19.230 -5.422 1.00 0.00 C ATOM 31 C ASP A 3 -6.008 18.421 -6.714 1.00 0.00 C ATOM 32 O ASP A 3 -6.345 18.956 -7.771 1.00 0.00 O ATOM 33 CB ASP A 3 -5.976 20.729 -5.735 1.00 0.00 C ATOM 34 CG ASP A 3 -7.321 21.152 -6.298 1.00 0.00 C ATOM 35 OD1 ASP A 3 -8.216 20.288 -6.419 1.00 0.00 O ATOM 36 OD2 ASP A 3 -7.480 22.349 -6.617 1.00 0.00 O ATOM 0 H ASP A 3 -4.073 18.249 -5.195 1.00 0.00 H new ATOM 0 HA ASP A 3 -6.753 18.967 -4.782 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -5.773 21.295 -4.826 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -5.192 20.981 -6.449 1.00 0.00 H new ATOM 41 N SER A 4 -5.712 17.128 -6.623 1.00 0.00 N ATOM 42 CA SER A 4 -5.770 16.250 -7.786 1.00 0.00 C ATOM 43 C SER A 4 -6.722 15.095 -7.557 1.00 0.00 C ATOM 44 O SER A 4 -6.925 14.651 -6.427 1.00 0.00 O ATOM 45 CB SER A 4 -4.401 15.686 -8.126 1.00 0.00 C ATOM 46 OG SER A 4 -4.435 14.961 -9.343 1.00 0.00 O ATOM 0 H SER A 4 -5.430 16.666 -5.758 1.00 0.00 H new ATOM 0 HA SER A 4 -6.128 16.859 -8.616 1.00 0.00 H new ATOM 0 HB2 SER A 4 -3.679 16.499 -8.203 1.00 0.00 H new ATOM 0 HB3 SER A 4 -4.063 15.034 -7.320 1.00 0.00 H new ATOM 0 HG SER A 4 -3.541 14.610 -9.540 1.00 0.00 H new ATOM 52 N VAL A 5 -7.274 14.593 -8.647 1.00 0.00 N ATOM 53 CA VAL A 5 -8.178 13.463 -8.589 1.00 0.00 C ATOM 54 C VAL A 5 -7.454 12.255 -8.018 1.00 0.00 C ATOM 55 O VAL A 5 -8.046 11.442 -7.316 1.00 0.00 O ATOM 56 CB VAL A 5 -8.723 13.110 -9.984 1.00 0.00 C ATOM 57 CG1 VAL A 5 -9.592 11.863 -9.921 1.00 0.00 C ATOM 58 CG2 VAL A 5 -9.498 14.282 -10.567 1.00 0.00 C ATOM 0 H VAL A 5 -7.110 14.954 -9.587 1.00 0.00 H new ATOM 0 HA VAL A 5 -9.016 13.737 -7.948 1.00 0.00 H new ATOM 0 HB VAL A 5 -7.878 12.901 -10.641 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -9.967 11.630 -10.918 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -9.000 11.025 -9.552 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -10.432 12.038 -9.249 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -9.876 14.014 -11.554 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -10.335 14.527 -9.912 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -8.840 15.147 -10.653 1.00 0.00 H new ATOM 68 N GLU A 6 -6.162 12.152 -8.331 1.00 0.00 N ATOM 69 CA GLU A 6 -5.336 11.047 -7.859 1.00 0.00 C ATOM 70 C GLU A 6 -5.272 11.017 -6.335 1.00 0.00 C ATOM 71 O GLU A 6 -5.262 9.946 -5.728 1.00 0.00 O ATOM 72 CB GLU A 6 -3.931 11.151 -8.448 1.00 0.00 C ATOM 73 CG GLU A 6 -3.913 11.124 -9.969 1.00 0.00 C ATOM 74 CD GLU A 6 -2.517 11.263 -10.546 1.00 0.00 C ATOM 75 OE1 GLU A 6 -1.557 11.386 -9.760 1.00 0.00 O ATOM 76 OE2 GLU A 6 -2.386 11.250 -11.788 1.00 0.00 O ATOM 0 H GLU A 6 -5.665 12.826 -8.913 1.00 0.00 H new ATOM 0 HA GLU A 6 -5.793 10.116 -8.193 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -3.467 12.075 -8.102 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -3.324 10.328 -8.070 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -4.352 10.189 -10.316 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -4.540 11.931 -10.349 1.00 0.00 H new ATOM 83 N PHE A 7 -5.234 12.196 -5.719 1.00 0.00 N ATOM 84 CA PHE A 7 -5.181 12.294 -4.264 1.00 0.00 C ATOM 85 C PHE A 7 -6.403 11.621 -3.648 1.00 0.00 C ATOM 86 O PHE A 7 -6.276 10.676 -2.868 1.00 0.00 O ATOM 87 CB PHE A 7 -5.110 13.763 -3.832 1.00 0.00 C ATOM 88 CG PHE A 7 -5.068 13.960 -2.339 1.00 0.00 C ATOM 89 CD1 PHE A 7 -4.331 13.109 -1.528 1.00 0.00 C ATOM 90 CD2 PHE A 7 -5.766 15.002 -1.748 1.00 0.00 C ATOM 91 CE1 PHE A 7 -4.293 13.294 -0.158 1.00 0.00 C ATOM 92 CE2 PHE A 7 -5.731 15.190 -0.380 1.00 0.00 C ATOM 93 CZ PHE A 7 -4.994 14.335 0.416 1.00 0.00 C ATOM 0 H PHE A 7 -5.239 13.094 -6.203 1.00 0.00 H new ATOM 0 HA PHE A 7 -4.284 11.784 -3.911 1.00 0.00 H new ATOM 0 HB2 PHE A 7 -4.224 14.219 -4.274 1.00 0.00 H new ATOM 0 HB3 PHE A 7 -5.974 14.292 -4.234 1.00 0.00 H new ATOM 0 HD1 PHE A 7 -3.781 12.293 -1.972 1.00 0.00 H new ATOM 0 HD2 PHE A 7 -6.344 15.675 -2.364 1.00 0.00 H new ATOM 0 HE1 PHE A 7 -3.715 12.624 0.462 1.00 0.00 H new ATOM 0 HE2 PHE A 7 -6.280 16.006 0.067 1.00 0.00 H new ATOM 0 HZ PHE A 7 -4.966 14.481 1.486 1.00 0.00 H new ATOM 103 N ASN A 8 -7.586 12.096 -4.025 1.00 0.00 N ATOM 104 CA ASN A 8 -8.829 11.519 -3.534 1.00 0.00 C ATOM 105 C ASN A 8 -8.961 10.094 -4.048 1.00 0.00 C ATOM 106 O ASN A 8 -9.559 9.232 -3.402 1.00 0.00 O ATOM 107 CB ASN A 8 -10.025 12.361 -3.982 1.00 0.00 C ATOM 108 CG ASN A 8 -9.979 13.770 -3.422 1.00 0.00 C ATOM 109 OD1 ASN A 8 -9.966 13.968 -2.207 1.00 0.00 O ATOM 110 ND2 ASN A 8 -9.956 14.759 -4.308 1.00 0.00 N ATOM 0 H ASN A 8 -7.708 12.878 -4.668 1.00 0.00 H new ATOM 0 HA ASN A 8 -8.812 11.508 -2.444 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -10.048 12.406 -5.071 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -10.948 11.876 -3.664 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -9.926 15.728 -3.990 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -9.968 14.550 -5.306 1.00 0.00 H new ATOM 117 N ASN A 9 -8.373 9.864 -5.215 1.00 0.00 N ATOM 118 CA ASN A 9 -8.379 8.556 -5.853 1.00 0.00 C ATOM 119 C ASN A 9 -7.750 7.531 -4.921 1.00 0.00 C ATOM 120 O ASN A 9 -8.220 6.401 -4.805 1.00 0.00 O ATOM 121 CB ASN A 9 -7.594 8.632 -7.162 1.00 0.00 C ATOM 122 CG ASN A 9 -7.732 7.409 -8.026 1.00 0.00 C ATOM 123 OD1 ASN A 9 -7.622 6.277 -7.558 1.00 0.00 O ATOM 124 ND2 ASN A 9 -7.941 7.642 -9.309 1.00 0.00 N ATOM 0 H ASN A 9 -7.878 10.581 -5.746 1.00 0.00 H new ATOM 0 HA ASN A 9 -9.404 8.253 -6.067 1.00 0.00 H new ATOM 0 HB2 ASN A 9 -7.929 9.503 -7.725 1.00 0.00 H new ATOM 0 HB3 ASN A 9 -6.539 8.787 -6.934 1.00 0.00 H new ATOM 0 HD21 ASN A 9 -8.019 6.863 -9.963 1.00 0.00 H new ATOM 0 HD22 ASN A 9 -8.025 8.601 -9.646 1.00 0.00 H new ATOM 131 N ALA A 10 -6.681 7.951 -4.254 1.00 0.00 N ATOM 132 CA ALA A 10 -5.975 7.095 -3.315 1.00 0.00 C ATOM 133 C ALA A 10 -6.794 6.899 -2.045 1.00 0.00 C ATOM 134 O ALA A 10 -6.938 5.778 -1.553 1.00 0.00 O ATOM 135 CB ALA A 10 -4.615 7.692 -2.986 1.00 0.00 C ATOM 0 H ALA A 10 -6.284 8.886 -4.349 1.00 0.00 H new ATOM 0 HA ALA A 10 -5.827 6.119 -3.777 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -4.094 7.044 -2.282 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -4.027 7.783 -3.899 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -4.749 8.678 -2.541 1.00 0.00 H new ATOM 141 N ILE A 11 -7.331 8.001 -1.521 1.00 0.00 N ATOM 142 CA ILE A 11 -8.136 7.959 -0.304 1.00 0.00 C ATOM 143 C ILE A 11 -9.244 6.919 -0.415 1.00 0.00 C ATOM 144 O ILE A 11 -9.477 6.144 0.512 1.00 0.00 O ATOM 145 CB ILE A 11 -8.781 9.327 -0.002 1.00 0.00 C ATOM 146 CG1 ILE A 11 -7.733 10.444 -0.013 1.00 0.00 C ATOM 147 CG2 ILE A 11 -9.491 9.281 1.341 1.00 0.00 C ATOM 148 CD1 ILE A 11 -6.668 10.303 1.053 1.00 0.00 C ATOM 0 H ILE A 11 -7.222 8.933 -1.922 1.00 0.00 H new ATOM 0 HA ILE A 11 -7.458 7.693 0.507 1.00 0.00 H new ATOM 0 HB ILE A 11 -9.510 9.543 -0.783 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -7.252 10.467 -0.991 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -8.237 11.402 0.117 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -9.944 10.251 1.547 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -10.267 8.516 1.316 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -8.772 9.043 2.125 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -5.965 11.133 0.977 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -7.135 10.312 2.038 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -6.135 9.362 0.913 1.00 0.00 H new ATOM 160 N SER A 12 -9.930 6.917 -1.554 1.00 0.00 N ATOM 161 CA SER A 12 -11.021 5.980 -1.791 1.00 0.00 C ATOM 162 C SER A 12 -10.550 4.537 -1.641 1.00 0.00 C ATOM 163 O SER A 12 -11.273 3.695 -1.110 1.00 0.00 O ATOM 164 CB SER A 12 -11.616 6.192 -3.184 1.00 0.00 C ATOM 165 OG SER A 12 -10.660 5.926 -4.196 1.00 0.00 O ATOM 0 H SER A 12 -9.748 7.556 -2.328 1.00 0.00 H new ATOM 0 HA SER A 12 -11.791 6.170 -1.043 1.00 0.00 H new ATOM 0 HB2 SER A 12 -12.480 5.541 -3.316 1.00 0.00 H new ATOM 0 HB3 SER A 12 -11.973 7.218 -3.278 1.00 0.00 H new ATOM 0 HG SER A 12 -9.835 6.418 -4.004 1.00 0.00 H new ATOM 171 N TYR A 13 -9.337 4.254 -2.108 1.00 0.00 N ATOM 172 CA TYR A 13 -8.787 2.907 -2.017 1.00 0.00 C ATOM 173 C TYR A 13 -8.630 2.488 -0.562 1.00 0.00 C ATOM 174 O TYR A 13 -9.139 1.448 -0.144 1.00 0.00 O ATOM 175 CB TYR A 13 -7.430 2.833 -2.716 1.00 0.00 C ATOM 176 CG TYR A 13 -6.832 1.444 -2.718 1.00 0.00 C ATOM 177 CD1 TYR A 13 -7.548 0.359 -3.211 1.00 0.00 C ATOM 178 CD2 TYR A 13 -5.556 1.214 -2.219 1.00 0.00 C ATOM 179 CE1 TYR A 13 -7.011 -0.913 -3.205 1.00 0.00 C ATOM 180 CE2 TYR A 13 -5.010 -0.056 -2.213 1.00 0.00 C ATOM 181 CZ TYR A 13 -5.743 -1.116 -2.706 1.00 0.00 C ATOM 182 OH TYR A 13 -5.207 -2.383 -2.699 1.00 0.00 O ATOM 0 H TYR A 13 -8.720 4.935 -2.550 1.00 0.00 H new ATOM 0 HA TYR A 13 -9.482 2.227 -2.511 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -7.540 3.175 -3.745 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -6.739 3.518 -2.225 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -8.541 0.514 -3.605 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -4.981 2.041 -1.829 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -7.582 -1.745 -3.590 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -4.015 -0.218 -1.825 1.00 0.00 H new ATOM 0 HH TYR A 13 -5.511 -2.871 -3.493 1.00 0.00 H new ATOM 192 N VAL A 14 -7.918 3.308 0.199 1.00 0.00 N ATOM 193 CA VAL A 14 -7.681 3.034 1.611 1.00 0.00 C ATOM 194 C VAL A 14 -8.997 2.875 2.365 1.00 0.00 C ATOM 195 O VAL A 14 -9.126 2.012 3.234 1.00 0.00 O ATOM 196 CB VAL A 14 -6.855 4.155 2.269 1.00 0.00 C ATOM 197 CG1 VAL A 14 -6.537 3.810 3.715 1.00 0.00 C ATOM 198 CG2 VAL A 14 -5.579 4.409 1.481 1.00 0.00 C ATOM 0 H VAL A 14 -7.493 4.171 -0.139 1.00 0.00 H new ATOM 0 HA VAL A 14 -7.119 2.102 1.665 1.00 0.00 H new ATOM 0 HB VAL A 14 -7.449 5.069 2.262 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -5.953 4.615 4.161 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -7.466 3.684 4.272 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -5.964 2.883 3.750 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -5.008 5.204 1.960 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -4.981 3.498 1.454 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -5.833 4.707 0.464 1.00 0.00 H new ATOM 208 N ASN A 15 -9.968 3.713 2.022 1.00 0.00 N ATOM 209 CA ASN A 15 -11.280 3.674 2.657 1.00 0.00 C ATOM 210 C ASN A 15 -11.917 2.309 2.479 1.00 0.00 C ATOM 211 O ASN A 15 -12.300 1.657 3.450 1.00 0.00 O ATOM 212 CB ASN A 15 -12.181 4.732 2.041 1.00 0.00 C ATOM 213 CG ASN A 15 -13.463 4.929 2.808 1.00 0.00 C ATOM 214 OD1 ASN A 15 -14.182 3.974 3.102 1.00 0.00 O ATOM 215 ND2 ASN A 15 -13.767 6.174 3.115 1.00 0.00 N ATOM 0 H ASN A 15 -9.871 4.431 1.304 1.00 0.00 H new ATOM 0 HA ASN A 15 -11.155 3.871 3.722 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -11.642 5.678 1.994 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -12.417 4.449 1.015 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -14.630 6.379 3.618 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -13.139 6.933 2.850 1.00 0.00 H new ATOM 222 N LYS A 16 -12.027 1.891 1.227 1.00 0.00 N ATOM 223 CA LYS A 16 -12.620 0.595 0.904 1.00 0.00 C ATOM 224 C LYS A 16 -11.935 -0.508 1.696 1.00 0.00 C ATOM 225 O LYS A 16 -12.580 -1.450 2.149 1.00 0.00 O ATOM 226 CB LYS A 16 -12.510 0.291 -0.593 1.00 0.00 C ATOM 227 CG LYS A 16 -13.161 1.333 -1.483 1.00 0.00 C ATOM 228 CD LYS A 16 -13.107 0.943 -2.940 1.00 0.00 C ATOM 229 CE LYS A 16 -14.050 -0.205 -3.224 1.00 0.00 C ATOM 230 NZ LYS A 16 -15.444 0.098 -2.798 1.00 0.00 N ATOM 0 H LYS A 16 -11.715 2.427 0.417 1.00 0.00 H new ATOM 0 HA LYS A 16 -13.676 0.637 1.172 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -11.457 0.207 -0.860 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -12.967 -0.678 -0.791 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -14.200 1.469 -1.182 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -12.661 2.292 -1.345 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -13.372 1.799 -3.560 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -12.089 0.658 -3.207 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -14.038 -0.428 -4.291 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -13.699 -1.098 -2.707 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -16.104 -0.534 -3.295 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -15.533 -0.047 -1.772 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -15.670 1.086 -3.029 1.00 0.00 H new ATOM 244 N ILE A 17 -10.624 -0.379 1.865 1.00 0.00 N ATOM 245 CA ILE A 17 -9.854 -1.360 2.616 1.00 0.00 C ATOM 246 C ILE A 17 -10.336 -1.414 4.062 1.00 0.00 C ATOM 247 O ILE A 17 -10.443 -2.483 4.656 1.00 0.00 O ATOM 248 CB ILE A 17 -8.347 -1.034 2.589 1.00 0.00 C ATOM 249 CG1 ILE A 17 -7.822 -1.075 1.150 1.00 0.00 C ATOM 250 CG2 ILE A 17 -7.577 -2.009 3.468 1.00 0.00 C ATOM 251 CD1 ILE A 17 -6.363 -0.688 1.020 1.00 0.00 C ATOM 0 H ILE A 17 -10.074 0.395 1.492 1.00 0.00 H new ATOM 0 HA ILE A 17 -10.005 -2.330 2.143 1.00 0.00 H new ATOM 0 HB ILE A 17 -8.200 -0.028 2.983 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -7.958 -2.081 0.752 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -8.422 -0.405 0.535 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -6.515 -1.765 3.438 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -7.937 -1.936 4.494 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -7.727 -3.025 3.102 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -6.064 -0.741 -0.027 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -6.222 0.329 1.387 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -5.751 -1.373 1.607 1.00 0.00 H new ATOM 263 N LYS A 18 -10.629 -0.247 4.619 1.00 0.00 N ATOM 264 CA LYS A 18 -11.106 -0.153 5.992 1.00 0.00 C ATOM 265 C LYS A 18 -12.485 -0.786 6.133 1.00 0.00 C ATOM 266 O LYS A 18 -12.706 -1.652 6.980 1.00 0.00 O ATOM 267 CB LYS A 18 -11.178 1.315 6.415 1.00 0.00 C ATOM 268 CG LYS A 18 -11.566 1.512 7.872 1.00 0.00 C ATOM 269 CD LYS A 18 -11.738 2.984 8.217 1.00 0.00 C ATOM 270 CE LYS A 18 -10.441 3.757 8.053 1.00 0.00 C ATOM 271 NZ LYS A 18 -10.612 5.201 8.378 1.00 0.00 N ATOM 0 H LYS A 18 -10.545 0.650 4.140 1.00 0.00 H new ATOM 0 HA LYS A 18 -10.407 -0.690 6.634 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -10.209 1.783 6.240 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -11.900 1.831 5.783 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -12.495 0.980 8.076 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -10.801 1.075 8.514 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -12.505 3.420 7.577 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -12.090 3.078 9.244 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -9.677 3.327 8.701 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -10.084 3.655 7.028 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -9.678 5.645 8.486 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -11.132 5.671 7.609 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -11.146 5.296 9.266 1.00 0.00 H new ATOM 285 N THR A 19 -13.404 -0.327 5.298 1.00 0.00 N ATOM 286 CA THR A 19 -14.782 -0.815 5.309 1.00 0.00 C ATOM 287 C THR A 19 -14.862 -2.298 4.965 1.00 0.00 C ATOM 288 O THR A 19 -15.737 -3.012 5.453 1.00 0.00 O ATOM 289 CB THR A 19 -15.667 -0.018 4.328 1.00 0.00 C ATOM 290 OG1 THR A 19 -17.040 -0.395 4.487 1.00 0.00 O ATOM 291 CG2 THR A 19 -15.243 -0.257 2.888 1.00 0.00 C ATOM 0 H THR A 19 -13.222 0.390 4.596 1.00 0.00 H new ATOM 0 HA THR A 19 -15.152 -0.672 6.324 1.00 0.00 H new ATOM 0 HB THR A 19 -15.547 1.041 4.555 1.00 0.00 H new ATOM 0 HG1 THR A 19 -17.594 0.117 3.862 1.00 0.00 H new ATOM 0 HG21 THR A 19 -15.884 0.317 2.220 1.00 0.00 H new ATOM 0 HG22 THR A 19 -14.208 0.058 2.757 1.00 0.00 H new ATOM 0 HG23 THR A 19 -15.332 -1.318 2.654 1.00 0.00 H new ATOM 299 N ARG A 20 -13.952 -2.758 4.119 1.00 0.00 N ATOM 300 CA ARG A 20 -13.931 -4.156 3.717 1.00 0.00 C ATOM 301 C ARG A 20 -13.518 -5.050 4.879 1.00 0.00 C ATOM 302 O ARG A 20 -14.164 -6.058 5.166 1.00 0.00 O ATOM 303 CB ARG A 20 -12.973 -4.355 2.536 1.00 0.00 C ATOM 304 CG ARG A 20 -12.694 -5.815 2.214 1.00 0.00 C ATOM 305 CD ARG A 20 -13.982 -6.594 2.007 1.00 0.00 C ATOM 306 NE ARG A 20 -14.731 -6.125 0.844 1.00 0.00 N ATOM 307 CZ ARG A 20 -14.279 -6.189 -0.406 1.00 0.00 C ATOM 308 NH1 ARG A 20 -13.088 -6.718 -0.661 1.00 0.00 N ATOM 309 NH2 ARG A 20 -15.019 -5.729 -1.404 1.00 0.00 N ATOM 0 H ARG A 20 -13.220 -2.185 3.699 1.00 0.00 H new ATOM 0 HA ARG A 20 -14.939 -4.435 3.409 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -13.393 -3.871 1.654 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -12.030 -3.854 2.756 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -12.080 -5.880 1.316 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -12.121 -6.265 3.025 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -13.749 -7.652 1.884 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -14.605 -6.506 2.897 1.00 0.00 H new ATOM 0 HE ARG A 20 -15.656 -5.724 0.999 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -12.515 -7.077 0.103 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -12.746 -6.765 -1.621 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -15.936 -5.325 -1.215 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -14.671 -5.779 -2.362 1.00 0.00 H new ATOM 323 N PHE A 21 -12.428 -4.676 5.532 1.00 0.00 N ATOM 324 CA PHE A 21 -11.903 -5.439 6.654 1.00 0.00 C ATOM 325 C PHE A 21 -12.446 -4.930 7.992 1.00 0.00 C ATOM 326 O PHE A 21 -11.708 -4.846 8.975 1.00 0.00 O ATOM 327 CB PHE A 21 -10.375 -5.382 6.652 1.00 0.00 C ATOM 328 CG PHE A 21 -9.746 -5.940 5.403 1.00 0.00 C ATOM 329 CD1 PHE A 21 -9.845 -5.273 4.193 1.00 0.00 C ATOM 330 CD2 PHE A 21 -9.051 -7.134 5.444 1.00 0.00 C ATOM 331 CE1 PHE A 21 -9.261 -5.786 3.050 1.00 0.00 C ATOM 332 CE2 PHE A 21 -8.464 -7.654 4.307 1.00 0.00 C ATOM 333 CZ PHE A 21 -8.569 -6.978 3.108 1.00 0.00 C ATOM 0 H PHE A 21 -11.887 -3.843 5.302 1.00 0.00 H new ATOM 0 HA PHE A 21 -12.231 -6.472 6.537 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -10.060 -4.346 6.774 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -9.999 -5.933 7.514 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -10.386 -4.340 4.142 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -8.966 -7.668 6.379 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -9.346 -5.255 2.114 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -7.924 -8.588 4.356 1.00 0.00 H new ATOM 0 HZ PHE A 21 -8.110 -7.381 2.217 1.00 0.00 H new ATOM 343 N LEU A 22 -13.735 -4.596 8.029 1.00 0.00 N ATOM 344 CA LEU A 22 -14.362 -4.101 9.255 1.00 0.00 C ATOM 345 C LEU A 22 -14.311 -5.135 10.380 1.00 0.00 C ATOM 346 O LEU A 22 -14.154 -4.776 11.548 1.00 0.00 O ATOM 347 CB LEU A 22 -15.814 -3.692 8.994 1.00 0.00 C ATOM 348 CG LEU A 22 -15.995 -2.343 8.293 1.00 0.00 C ATOM 349 CD1 LEU A 22 -17.463 -2.094 7.988 1.00 0.00 C ATOM 350 CD2 LEU A 22 -15.434 -1.217 9.149 1.00 0.00 C ATOM 0 H LEU A 22 -14.364 -4.658 7.228 1.00 0.00 H new ATOM 0 HA LEU A 22 -13.793 -3.227 9.573 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -16.289 -4.464 8.389 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -16.343 -3.662 9.946 1.00 0.00 H new ATOM 0 HG LEU A 22 -15.445 -2.369 7.352 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -17.573 -1.131 7.490 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -17.839 -2.884 7.337 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -18.032 -2.089 8.918 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -15.571 -0.266 8.635 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -15.957 -1.192 10.105 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -14.371 -1.386 9.321 1.00 0.00 H new ATOM 362 N ASP A 23 -14.445 -6.414 10.033 1.00 0.00 N ATOM 363 CA ASP A 23 -14.417 -7.478 11.031 1.00 0.00 C ATOM 364 C ASP A 23 -12.993 -7.719 11.513 1.00 0.00 C ATOM 365 O ASP A 23 -12.759 -7.980 12.694 1.00 0.00 O ATOM 366 CB ASP A 23 -15.000 -8.764 10.453 1.00 0.00 C ATOM 367 CG ASP A 23 -16.427 -8.587 9.973 1.00 0.00 C ATOM 368 OD1 ASP A 23 -17.289 -8.219 10.798 1.00 0.00 O ATOM 369 OD2 ASP A 23 -16.682 -8.815 8.772 1.00 0.00 O ATOM 0 H ASP A 23 -14.573 -6.736 9.074 1.00 0.00 H new ATOM 0 HA ASP A 23 -15.025 -7.168 11.881 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -14.379 -9.100 9.622 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -14.969 -9.547 11.211 1.00 0.00 H new ATOM 374 N HIS A 24 -12.049 -7.630 10.587 1.00 0.00 N ATOM 375 CA HIS A 24 -10.643 -7.835 10.892 1.00 0.00 C ATOM 376 C HIS A 24 -9.840 -6.552 10.672 1.00 0.00 C ATOM 377 O HIS A 24 -9.104 -6.431 9.695 1.00 0.00 O ATOM 378 CB HIS A 24 -10.092 -8.977 10.041 1.00 0.00 C ATOM 379 CG HIS A 24 -10.862 -9.218 8.779 1.00 0.00 C ATOM 380 ND1 HIS A 24 -10.820 -8.375 7.691 1.00 0.00 N ATOM 381 CD2 HIS A 24 -11.716 -10.213 8.448 1.00 0.00 C ATOM 382 CE1 HIS A 24 -11.617 -8.843 6.744 1.00 0.00 C ATOM 383 NE2 HIS A 24 -12.171 -9.958 7.180 1.00 0.00 N ATOM 0 H HIS A 24 -12.236 -7.415 9.608 1.00 0.00 H new ATOM 0 HA HIS A 24 -10.549 -8.103 11.944 1.00 0.00 H new ATOM 0 HB2 HIS A 24 -9.055 -8.760 9.787 1.00 0.00 H new ATOM 0 HB3 HIS A 24 -10.090 -9.891 10.634 1.00 0.00 H new ATOM 0 HD2 HIS A 24 -11.989 -11.054 9.068 1.00 0.00 H new ATOM 0 HE1 HIS A 24 -11.785 -8.389 5.778 1.00 0.00 H new ATOM 0 HE2 HIS A 24 -12.830 -10.536 6.659 1.00 0.00 H new ATOM 392 N PRO A 25 -9.971 -5.571 11.587 1.00 0.00 N ATOM 393 CA PRO A 25 -9.248 -4.297 11.489 1.00 0.00 C ATOM 394 C PRO A 25 -7.737 -4.494 11.551 1.00 0.00 C ATOM 395 O PRO A 25 -6.977 -3.719 10.970 1.00 0.00 O ATOM 396 CB PRO A 25 -9.737 -3.505 12.701 1.00 0.00 C ATOM 397 CG PRO A 25 -10.250 -4.532 13.648 1.00 0.00 C ATOM 398 CD PRO A 25 -10.820 -5.624 12.789 1.00 0.00 C ATOM 0 HA PRO A 25 -9.436 -3.793 10.541 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -8.928 -2.925 13.147 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -10.519 -2.799 12.422 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -9.451 -4.911 14.285 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -11.011 -4.113 14.306 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -10.765 -6.595 13.280 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -11.869 -5.446 12.551 1.00 0.00 H new ATOM 406 N GLU A 26 -7.314 -5.538 12.257 1.00 0.00 N ATOM 407 CA GLU A 26 -5.895 -5.853 12.398 1.00 0.00 C ATOM 408 C GLU A 26 -5.216 -5.919 11.033 1.00 0.00 C ATOM 409 O GLU A 26 -4.033 -5.608 10.900 1.00 0.00 O ATOM 410 CB GLU A 26 -5.720 -7.185 13.130 1.00 0.00 C ATOM 411 CG GLU A 26 -6.402 -8.353 12.435 1.00 0.00 C ATOM 412 CD GLU A 26 -6.222 -9.662 13.179 1.00 0.00 C ATOM 413 OE1 GLU A 26 -5.566 -9.657 14.241 1.00 0.00 O ATOM 414 OE2 GLU A 26 -6.738 -10.693 12.699 1.00 0.00 O ATOM 0 H GLU A 26 -7.937 -6.184 12.743 1.00 0.00 H new ATOM 0 HA GLU A 26 -5.426 -5.060 12.980 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -4.656 -7.401 13.226 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -6.119 -7.091 14.140 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -7.466 -8.140 12.335 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -6.001 -8.455 11.426 1.00 0.00 H new ATOM 421 N ILE A 27 -5.978 -6.325 10.021 1.00 0.00 N ATOM 422 CA ILE A 27 -5.458 -6.431 8.664 1.00 0.00 C ATOM 423 C ILE A 27 -5.049 -5.056 8.145 1.00 0.00 C ATOM 424 O ILE A 27 -4.034 -4.909 7.465 1.00 0.00 O ATOM 425 CB ILE A 27 -6.512 -7.013 7.704 1.00 0.00 C ATOM 426 CG1 ILE A 27 -7.257 -8.188 8.361 1.00 0.00 C ATOM 427 CG2 ILE A 27 -5.847 -7.439 6.401 1.00 0.00 C ATOM 428 CD1 ILE A 27 -6.628 -9.545 8.147 1.00 0.00 C ATOM 0 H ILE A 27 -6.959 -6.586 10.117 1.00 0.00 H new ATOM 0 HA ILE A 27 -4.595 -7.096 8.700 1.00 0.00 H new ATOM 0 HB ILE A 27 -7.249 -6.243 7.478 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -7.325 -8.001 9.433 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -8.277 -8.212 7.976 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -6.598 -7.850 5.726 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -5.374 -6.575 5.934 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -5.092 -8.198 6.609 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -7.226 -10.306 8.648 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -6.585 -9.762 7.080 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -5.619 -9.547 8.559 1.00 0.00 H new ATOM 440 N TYR A 28 -5.859 -4.055 8.474 1.00 0.00 N ATOM 441 CA TYR A 28 -5.604 -2.681 8.051 1.00 0.00 C ATOM 442 C TYR A 28 -4.224 -2.217 8.508 1.00 0.00 C ATOM 443 O TYR A 28 -3.457 -1.655 7.728 1.00 0.00 O ATOM 444 CB TYR A 28 -6.675 -1.756 8.628 1.00 0.00 C ATOM 445 CG TYR A 28 -6.600 -0.335 8.119 1.00 0.00 C ATOM 446 CD1 TYR A 28 -6.971 -0.023 6.818 1.00 0.00 C ATOM 447 CD2 TYR A 28 -6.171 0.696 8.945 1.00 0.00 C ATOM 448 CE1 TYR A 28 -6.910 1.276 6.351 1.00 0.00 C ATOM 449 CE2 TYR A 28 -6.110 1.998 8.486 1.00 0.00 C ATOM 450 CZ TYR A 28 -6.479 2.283 7.189 1.00 0.00 C ATOM 451 OH TYR A 28 -6.419 3.578 6.729 1.00 0.00 O ATOM 0 H TYR A 28 -6.703 -4.170 9.036 1.00 0.00 H new ATOM 0 HA TYR A 28 -5.637 -2.645 6.962 1.00 0.00 H new ATOM 0 HB2 TYR A 28 -7.658 -2.164 8.392 1.00 0.00 H new ATOM 0 HB3 TYR A 28 -6.586 -1.747 9.714 1.00 0.00 H new ATOM 0 HD1 TYR A 28 -7.313 -0.808 6.160 1.00 0.00 H new ATOM 0 HD2 TYR A 28 -5.881 0.477 9.962 1.00 0.00 H new ATOM 0 HE1 TYR A 28 -7.198 1.502 5.335 1.00 0.00 H new ATOM 0 HE2 TYR A 28 -5.775 2.789 9.141 1.00 0.00 H new ATOM 0 HH TYR A 28 -6.096 4.165 7.445 1.00 0.00 H new ATOM 461 N ARG A 29 -3.924 -2.452 9.783 1.00 0.00 N ATOM 462 CA ARG A 29 -2.647 -2.055 10.364 1.00 0.00 C ATOM 463 C ARG A 29 -1.468 -2.649 9.600 1.00 0.00 C ATOM 464 O ARG A 29 -0.598 -1.918 9.123 1.00 0.00 O ATOM 465 CB ARG A 29 -2.582 -2.498 11.824 1.00 0.00 C ATOM 466 CG ARG A 29 -3.604 -1.815 12.719 1.00 0.00 C ATOM 467 CD ARG A 29 -3.312 -0.330 12.905 1.00 0.00 C ATOM 468 NE ARG A 29 -2.090 -0.093 13.676 1.00 0.00 N ATOM 469 CZ ARG A 29 -0.866 -0.062 13.153 1.00 0.00 C ATOM 470 NH1 ARG A 29 -0.691 -0.174 11.843 1.00 0.00 N ATOM 471 NH2 ARG A 29 0.186 0.108 13.941 1.00 0.00 N ATOM 0 H ARG A 29 -4.553 -2.919 10.436 1.00 0.00 H new ATOM 0 HA ARG A 29 -2.578 -0.969 10.299 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -2.733 -3.576 11.874 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -1.583 -2.297 12.211 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -4.598 -1.936 12.289 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -3.616 -2.305 13.693 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -3.219 0.144 11.928 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -4.154 0.143 13.410 1.00 0.00 H new ATOM 0 HE ARG A 29 -2.183 0.058 14.680 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -1.497 -0.285 11.228 1.00 0.00 H new ATOM 0 HH12 ARG A 29 0.250 -0.149 11.450 1.00 0.00 H new ATOM 0 HH21 ARG A 29 0.058 0.215 14.947 1.00 0.00 H new ATOM 0 HH22 ARG A 29 1.124 0.132 13.541 1.00 0.00 H new ATOM 485 N SER A 30 -1.441 -3.973 9.498 1.00 0.00 N ATOM 486 CA SER A 30 -0.362 -4.671 8.800 1.00 0.00 C ATOM 487 C SER A 30 -0.104 -4.050 7.427 1.00 0.00 C ATOM 488 O SER A 30 1.039 -3.749 7.082 1.00 0.00 O ATOM 489 CB SER A 30 -0.696 -6.157 8.665 1.00 0.00 C ATOM 490 OG SER A 30 -1.974 -6.341 8.086 1.00 0.00 O ATOM 0 H SER A 30 -2.154 -4.588 9.890 1.00 0.00 H new ATOM 0 HA SER A 30 0.549 -4.569 9.389 1.00 0.00 H new ATOM 0 HB2 SER A 30 0.059 -6.648 8.051 1.00 0.00 H new ATOM 0 HB3 SER A 30 -0.666 -6.630 9.646 1.00 0.00 H new ATOM 0 HG SER A 30 -2.495 -5.515 8.174 1.00 0.00 H new ATOM 496 N PHE A 31 -1.171 -3.842 6.658 1.00 0.00 N ATOM 497 CA PHE A 31 -1.062 -3.234 5.334 1.00 0.00 C ATOM 498 C PHE A 31 -0.275 -1.927 5.405 1.00 0.00 C ATOM 499 O PHE A 31 0.635 -1.687 4.606 1.00 0.00 O ATOM 500 CB PHE A 31 -2.460 -2.964 4.775 1.00 0.00 C ATOM 501 CG PHE A 31 -2.468 -2.109 3.539 1.00 0.00 C ATOM 502 CD1 PHE A 31 -1.977 -2.596 2.339 1.00 0.00 C ATOM 503 CD2 PHE A 31 -2.977 -0.819 3.578 1.00 0.00 C ATOM 504 CE1 PHE A 31 -1.991 -1.814 1.201 1.00 0.00 C ATOM 505 CE2 PHE A 31 -2.993 -0.033 2.442 1.00 0.00 C ATOM 506 CZ PHE A 31 -2.499 -0.531 1.253 1.00 0.00 C ATOM 0 H PHE A 31 -2.123 -4.086 6.930 1.00 0.00 H new ATOM 0 HA PHE A 31 -0.532 -3.924 4.677 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -2.940 -3.916 4.549 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -3.061 -2.479 5.544 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -1.579 -3.599 2.293 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -3.365 -0.425 4.506 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -1.605 -2.205 0.271 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -3.392 0.970 2.484 1.00 0.00 H new ATOM 0 HZ PHE A 31 -2.510 0.082 0.364 1.00 0.00 H new ATOM 516 N LEU A 32 -0.633 -1.089 6.372 1.00 0.00 N ATOM 517 CA LEU A 32 0.033 0.190 6.558 1.00 0.00 C ATOM 518 C LEU A 32 1.520 -0.024 6.801 1.00 0.00 C ATOM 519 O LEU A 32 2.358 0.703 6.269 1.00 0.00 O ATOM 520 CB LEU A 32 -0.597 0.949 7.727 1.00 0.00 C ATOM 521 CG LEU A 32 -2.116 1.101 7.649 1.00 0.00 C ATOM 522 CD1 LEU A 32 -2.635 1.925 8.812 1.00 0.00 C ATOM 523 CD2 LEU A 32 -2.522 1.728 6.327 1.00 0.00 C ATOM 0 H LEU A 32 -1.382 -1.275 7.039 1.00 0.00 H new ATOM 0 HA LEU A 32 -0.089 0.786 5.653 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -0.345 0.434 8.654 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -0.149 1.941 7.781 1.00 0.00 H new ATOM 0 HG LEU A 32 -2.561 0.108 7.710 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -3.718 2.020 8.736 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -2.379 1.432 9.750 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -2.181 2.916 8.787 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -3.607 1.828 6.290 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -2.063 2.712 6.235 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -2.188 1.094 5.506 1.00 0.00 H new ATOM 535 N GLU A 33 1.836 -1.042 7.595 1.00 0.00 N ATOM 536 CA GLU A 33 3.222 -1.376 7.895 1.00 0.00 C ATOM 537 C GLU A 33 3.947 -1.786 6.622 1.00 0.00 C ATOM 538 O GLU A 33 5.150 -1.577 6.494 1.00 0.00 O ATOM 539 CB GLU A 33 3.290 -2.502 8.929 1.00 0.00 C ATOM 540 CG GLU A 33 2.652 -2.148 10.264 1.00 0.00 C ATOM 541 CD GLU A 33 3.378 -1.027 10.987 1.00 0.00 C ATOM 542 OE1 GLU A 33 4.408 -0.549 10.467 1.00 0.00 O ATOM 543 OE2 GLU A 33 2.916 -0.630 12.078 1.00 0.00 O ATOM 0 H GLU A 33 1.150 -1.650 8.042 1.00 0.00 H new ATOM 0 HA GLU A 33 3.710 -0.495 8.312 1.00 0.00 H new ATOM 0 HB2 GLU A 33 2.796 -3.385 8.524 1.00 0.00 H new ATOM 0 HB3 GLU A 33 4.334 -2.768 9.095 1.00 0.00 H new ATOM 0 HG2 GLU A 33 1.615 -1.856 10.099 1.00 0.00 H new ATOM 0 HG3 GLU A 33 2.636 -3.033 10.900 1.00 0.00 H new ATOM 550 N ILE A 34 3.207 -2.366 5.676 1.00 0.00 N ATOM 551 CA ILE A 34 3.787 -2.788 4.410 1.00 0.00 C ATOM 552 C ILE A 34 4.321 -1.585 3.649 1.00 0.00 C ATOM 553 O ILE A 34 5.505 -1.520 3.317 1.00 0.00 O ATOM 554 CB ILE A 34 2.759 -3.514 3.541 1.00 0.00 C ATOM 555 CG1 ILE A 34 2.173 -4.683 4.321 1.00 0.00 C ATOM 556 CG2 ILE A 34 3.402 -3.988 2.244 1.00 0.00 C ATOM 557 CD1 ILE A 34 1.142 -5.455 3.548 1.00 0.00 C ATOM 0 H ILE A 34 2.208 -2.552 5.766 1.00 0.00 H new ATOM 0 HA ILE A 34 4.602 -3.475 4.635 1.00 0.00 H new ATOM 0 HB ILE A 34 1.953 -2.828 3.281 1.00 0.00 H new ATOM 0 HG12 ILE A 34 2.979 -5.357 4.612 1.00 0.00 H new ATOM 0 HG13 ILE A 34 1.723 -4.308 5.240 1.00 0.00 H new ATOM 0 HG21 ILE A 34 2.658 -4.503 1.636 1.00 0.00 H new ATOM 0 HG22 ILE A 34 3.789 -3.130 1.695 1.00 0.00 H new ATOM 0 HG23 ILE A 34 4.220 -4.671 2.472 1.00 0.00 H new ATOM 0 HD11 ILE A 34 0.765 -6.274 4.161 1.00 0.00 H new ATOM 0 HD12 ILE A 34 0.318 -4.794 3.279 1.00 0.00 H new ATOM 0 HD13 ILE A 34 1.594 -5.859 2.642 1.00 0.00 H new ATOM 569 N LEU A 35 3.439 -0.620 3.400 1.00 0.00 N ATOM 570 CA LEU A 35 3.827 0.603 2.708 1.00 0.00 C ATOM 571 C LEU A 35 4.912 1.303 3.517 1.00 0.00 C ATOM 572 O LEU A 35 5.864 1.871 2.971 1.00 0.00 O ATOM 573 CB LEU A 35 2.612 1.520 2.531 1.00 0.00 C ATOM 574 CG LEU A 35 1.465 0.936 1.699 1.00 0.00 C ATOM 575 CD1 LEU A 35 0.228 1.812 1.804 1.00 0.00 C ATOM 576 CD2 LEU A 35 1.879 0.790 0.242 1.00 0.00 C ATOM 0 H LEU A 35 2.455 -0.662 3.666 1.00 0.00 H new ATOM 0 HA LEU A 35 4.213 0.360 1.718 1.00 0.00 H new ATOM 0 HB2 LEU A 35 2.227 1.780 3.517 1.00 0.00 H new ATOM 0 HB3 LEU A 35 2.943 2.447 2.063 1.00 0.00 H new ATOM 0 HG LEU A 35 1.229 -0.052 2.095 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -0.575 1.381 1.206 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -0.087 1.873 2.846 1.00 0.00 H new ATOM 0 HD13 LEU A 35 0.458 2.812 1.435 1.00 0.00 H new ATOM 0 HD21 LEU A 35 1.051 0.374 -0.332 1.00 0.00 H new ATOM 0 HD22 LEU A 35 2.144 1.768 -0.161 1.00 0.00 H new ATOM 0 HD23 LEU A 35 2.739 0.124 0.173 1.00 0.00 H new ATOM 588 N HIS A 36 4.758 1.228 4.833 1.00 0.00 N ATOM 589 CA HIS A 36 5.708 1.815 5.764 1.00 0.00 C ATOM 590 C HIS A 36 7.080 1.164 5.612 1.00 0.00 C ATOM 591 O HIS A 36 8.105 1.846 5.619 1.00 0.00 O ATOM 592 CB HIS A 36 5.189 1.655 7.197 1.00 0.00 C ATOM 593 CG HIS A 36 4.515 2.879 7.725 1.00 0.00 C ATOM 594 ND1 HIS A 36 5.147 4.102 7.829 1.00 0.00 N ATOM 595 CD2 HIS A 36 3.259 3.067 8.183 1.00 0.00 C ATOM 596 CE1 HIS A 36 4.307 4.987 8.330 1.00 0.00 C ATOM 597 NE2 HIS A 36 3.152 4.385 8.554 1.00 0.00 N ATOM 0 H HIS A 36 3.972 0.759 5.283 1.00 0.00 H new ATOM 0 HA HIS A 36 5.814 2.877 5.542 1.00 0.00 H new ATOM 0 HB2 HIS A 36 4.488 0.821 7.231 1.00 0.00 H new ATOM 0 HB3 HIS A 36 6.023 1.398 7.851 1.00 0.00 H new ATOM 0 HD2 HIS A 36 2.482 2.319 8.246 1.00 0.00 H new ATOM 0 HE1 HIS A 36 4.526 6.027 8.524 1.00 0.00 H new ATOM 0 HE2 HIS A 36 2.317 4.827 8.939 1.00 0.00 H new ATOM 606 N THR A 37 7.088 -0.158 5.453 1.00 0.00 N ATOM 607 CA THR A 37 8.327 -0.907 5.277 1.00 0.00 C ATOM 608 C THR A 37 9.033 -0.447 4.012 1.00 0.00 C ATOM 609 O THR A 37 10.258 -0.330 3.972 1.00 0.00 O ATOM 610 CB THR A 37 8.063 -2.424 5.185 1.00 0.00 C ATOM 611 OG1 THR A 37 7.457 -2.892 6.395 1.00 0.00 O ATOM 612 CG2 THR A 37 9.354 -3.190 4.930 1.00 0.00 C ATOM 0 H THR A 37 6.246 -0.733 5.443 1.00 0.00 H new ATOM 0 HA THR A 37 8.955 -0.718 6.148 1.00 0.00 H new ATOM 0 HB THR A 37 7.387 -2.598 4.348 1.00 0.00 H new ATOM 0 HG1 THR A 37 6.520 -2.607 6.423 1.00 0.00 H new ATOM 0 HG21 THR A 37 9.138 -4.257 4.870 1.00 0.00 H new ATOM 0 HG22 THR A 37 9.796 -2.856 3.992 1.00 0.00 H new ATOM 0 HG23 THR A 37 10.053 -3.007 5.746 1.00 0.00 H new ATOM 620 N TYR A 38 8.237 -0.178 2.985 1.00 0.00 N ATOM 621 CA TYR A 38 8.752 0.286 1.709 1.00 0.00 C ATOM 622 C TYR A 38 9.617 1.520 1.894 1.00 0.00 C ATOM 623 O TYR A 38 10.776 1.552 1.483 1.00 0.00 O ATOM 624 CB TYR A 38 7.589 0.633 0.786 1.00 0.00 C ATOM 625 CG TYR A 38 8.003 1.397 -0.447 1.00 0.00 C ATOM 626 CD1 TYR A 38 8.866 0.835 -1.377 1.00 0.00 C ATOM 627 CD2 TYR A 38 7.539 2.687 -0.671 1.00 0.00 C ATOM 628 CE1 TYR A 38 9.254 1.535 -2.501 1.00 0.00 C ATOM 629 CE2 TYR A 38 7.921 3.394 -1.794 1.00 0.00 C ATOM 630 CZ TYR A 38 8.779 2.814 -2.707 1.00 0.00 C ATOM 631 OH TYR A 38 9.163 3.516 -3.825 1.00 0.00 O ATOM 0 H TYR A 38 7.222 -0.275 3.015 1.00 0.00 H new ATOM 0 HA TYR A 38 9.356 -0.509 1.273 1.00 0.00 H new ATOM 0 HB2 TYR A 38 7.090 -0.287 0.482 1.00 0.00 H new ATOM 0 HB3 TYR A 38 6.859 1.223 1.341 1.00 0.00 H new ATOM 0 HD1 TYR A 38 9.240 -0.166 -1.219 1.00 0.00 H new ATOM 0 HD2 TYR A 38 6.870 3.144 0.043 1.00 0.00 H new ATOM 0 HE1 TYR A 38 9.926 1.084 -3.216 1.00 0.00 H new ATOM 0 HE2 TYR A 38 7.551 4.395 -1.957 1.00 0.00 H new ATOM 0 HH TYR A 38 8.739 4.399 -3.818 1.00 0.00 H new ATOM 641 N GLN A 39 9.027 2.536 2.499 1.00 0.00 N ATOM 642 CA GLN A 39 9.715 3.800 2.733 1.00 0.00 C ATOM 643 C GLN A 39 10.985 3.619 3.565 1.00 0.00 C ATOM 644 O GLN A 39 12.018 4.224 3.274 1.00 0.00 O ATOM 645 CB GLN A 39 8.778 4.780 3.427 1.00 0.00 C ATOM 646 CG GLN A 39 7.540 5.093 2.611 1.00 0.00 C ATOM 647 CD GLN A 39 7.841 5.805 1.302 1.00 0.00 C ATOM 648 OE1 GLN A 39 9.082 6.244 1.134 1.00 0.00 O flip ATOM 649 NE2 GLN A 39 6.960 5.975 0.460 1.00 0.00 N flip ATOM 0 H GLN A 39 8.066 2.512 2.840 1.00 0.00 H new ATOM 0 HA GLN A 39 10.012 4.196 1.762 1.00 0.00 H new ATOM 0 HB2 GLN A 39 8.477 4.367 4.390 1.00 0.00 H new ATOM 0 HB3 GLN A 39 9.316 5.706 3.631 1.00 0.00 H new ATOM 0 HG2 GLN A 39 7.011 4.164 2.397 1.00 0.00 H new ATOM 0 HG3 GLN A 39 6.869 5.712 3.206 1.00 0.00 H new ATOM 0 HE21 GLN A 39 6.018 5.621 0.629 1.00 0.00 H new ATOM 0 HE22 GLN A 39 7.171 6.470 -0.407 1.00 0.00 H new ATOM 658 N LYS A 40 10.898 2.799 4.610 1.00 0.00 N ATOM 659 CA LYS A 40 12.036 2.556 5.495 1.00 0.00 C ATOM 660 C LYS A 40 13.242 2.003 4.737 1.00 0.00 C ATOM 661 O LYS A 40 14.339 2.555 4.813 1.00 0.00 O ATOM 662 CB LYS A 40 11.636 1.581 6.606 1.00 0.00 C ATOM 663 CG LYS A 40 10.490 2.081 7.474 1.00 0.00 C ATOM 664 CD LYS A 40 10.079 1.047 8.512 1.00 0.00 C ATOM 665 CE LYS A 40 11.196 0.769 9.506 1.00 0.00 C ATOM 666 NZ LYS A 40 11.587 1.993 10.259 1.00 0.00 N ATOM 0 H LYS A 40 10.051 2.291 4.865 1.00 0.00 H new ATOM 0 HA LYS A 40 12.324 3.514 5.928 1.00 0.00 H new ATOM 0 HB2 LYS A 40 11.352 0.629 6.157 1.00 0.00 H new ATOM 0 HB3 LYS A 40 12.503 1.389 7.239 1.00 0.00 H new ATOM 0 HG2 LYS A 40 10.788 3.002 7.975 1.00 0.00 H new ATOM 0 HG3 LYS A 40 9.635 2.324 6.843 1.00 0.00 H new ATOM 0 HD2 LYS A 40 9.197 1.399 9.046 1.00 0.00 H new ATOM 0 HD3 LYS A 40 9.799 0.120 8.011 1.00 0.00 H new ATOM 0 HE2 LYS A 40 10.875 -0.001 10.207 1.00 0.00 H new ATOM 0 HE3 LYS A 40 12.064 0.376 8.976 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 12.170 1.726 11.078 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 12.132 2.624 9.637 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 10.732 2.486 10.589 1.00 0.00 H new ATOM 680 N GLU A 41 13.034 0.905 4.019 1.00 0.00 N ATOM 681 CA GLU A 41 14.109 0.269 3.260 1.00 0.00 C ATOM 682 C GLU A 41 14.546 1.129 2.076 1.00 0.00 C ATOM 683 O GLU A 41 15.730 1.191 1.746 1.00 0.00 O ATOM 684 CB GLU A 41 13.663 -1.109 2.764 1.00 0.00 C ATOM 685 CG GLU A 41 13.311 -2.081 3.882 1.00 0.00 C ATOM 686 CD GLU A 41 14.496 -2.408 4.773 1.00 0.00 C ATOM 687 OE1 GLU A 41 15.014 -1.488 5.440 1.00 0.00 O ATOM 688 OE2 GLU A 41 14.904 -3.589 4.804 1.00 0.00 O ATOM 0 H GLU A 41 12.132 0.435 3.945 1.00 0.00 H new ATOM 0 HA GLU A 41 14.963 0.156 3.928 1.00 0.00 H new ATOM 0 HB2 GLU A 41 12.796 -0.988 2.114 1.00 0.00 H new ATOM 0 HB3 GLU A 41 14.458 -1.541 2.157 1.00 0.00 H new ATOM 0 HG2 GLU A 41 12.512 -1.655 4.489 1.00 0.00 H new ATOM 0 HG3 GLU A 41 12.924 -3.003 3.447 1.00 0.00 H new ATOM 695 N GLN A 42 13.579 1.775 1.435 1.00 0.00 N ATOM 696 CA GLN A 42 13.852 2.619 0.275 1.00 0.00 C ATOM 697 C GLN A 42 14.903 3.683 0.583 1.00 0.00 C ATOM 698 O GLN A 42 15.946 3.744 -0.068 1.00 0.00 O ATOM 699 CB GLN A 42 12.561 3.297 -0.191 1.00 0.00 C ATOM 700 CG GLN A 42 12.729 4.131 -1.449 1.00 0.00 C ATOM 701 CD GLN A 42 11.475 4.900 -1.827 1.00 0.00 C ATOM 702 OE1 GLN A 42 10.460 4.850 -0.971 1.00 0.00 O flip ATOM 703 NE2 GLN A 42 11.425 5.546 -2.874 1.00 0.00 N flip ATOM 0 H GLN A 42 12.595 1.731 1.699 1.00 0.00 H new ATOM 0 HA GLN A 42 14.243 1.977 -0.515 1.00 0.00 H new ATOM 0 HB2 GLN A 42 11.804 2.533 -0.370 1.00 0.00 H new ATOM 0 HB3 GLN A 42 12.187 3.935 0.610 1.00 0.00 H new ATOM 0 HG2 GLN A 42 13.549 4.834 -1.305 1.00 0.00 H new ATOM 0 HG3 GLN A 42 13.010 3.478 -2.275 1.00 0.00 H new ATOM 0 HE21 GLN A 42 12.227 5.558 -3.504 1.00 0.00 H new ATOM 0 HE22 GLN A 42 10.582 6.069 -3.111 1.00 0.00 H new ATOM 712 N LEU A 43 14.616 4.525 1.570 1.00 0.00 N ATOM 713 CA LEU A 43 15.522 5.592 1.958 1.00 0.00 C ATOM 714 C LEU A 43 16.799 5.054 2.591 1.00 0.00 C ATOM 715 O LEU A 43 16.807 3.977 3.187 1.00 0.00 O ATOM 716 CB LEU A 43 14.822 6.540 2.917 1.00 0.00 C ATOM 717 CG LEU A 43 13.658 7.328 2.322 1.00 0.00 C ATOM 718 CD1 LEU A 43 12.998 8.195 3.383 1.00 0.00 C ATOM 719 CD2 LEU A 43 14.146 8.180 1.168 1.00 0.00 C ATOM 0 H LEU A 43 13.756 4.486 2.117 1.00 0.00 H new ATOM 0 HA LEU A 43 15.808 6.130 1.054 1.00 0.00 H new ATOM 0 HB2 LEU A 43 14.453 5.965 3.766 1.00 0.00 H new ATOM 0 HB3 LEU A 43 15.556 7.246 3.305 1.00 0.00 H new ATOM 0 HG LEU A 43 12.914 6.624 1.950 1.00 0.00 H new ATOM 0 HD11 LEU A 43 12.171 8.748 2.938 1.00 0.00 H new ATOM 0 HD12 LEU A 43 12.621 7.563 4.187 1.00 0.00 H new ATOM 0 HD13 LEU A 43 13.729 8.896 3.786 1.00 0.00 H new ATOM 0 HD21 LEU A 43 13.309 8.739 0.749 1.00 0.00 H new ATOM 0 HD22 LEU A 43 14.905 8.876 1.525 1.00 0.00 H new ATOM 0 HD23 LEU A 43 14.575 7.539 0.398 1.00 0.00 H new ATOM 731 N HIS A 44 17.878 5.820 2.452 1.00 0.00 N ATOM 732 CA HIS A 44 19.172 5.438 3.005 1.00 0.00 C ATOM 733 C HIS A 44 20.164 6.601 2.956 1.00 0.00 C ATOM 734 O HIS A 44 20.775 6.941 3.969 1.00 0.00 O ATOM 735 CB HIS A 44 19.742 4.217 2.268 1.00 0.00 C ATOM 736 CG HIS A 44 19.656 4.287 0.767 1.00 0.00 C ATOM 737 ND1 HIS A 44 18.998 5.142 -0.055 1.00 0.00 N flip ATOM 738 CD2 HIS A 44 20.282 3.376 -0.060 1.00 0.00 C flip ATOM 739 CE1 HIS A 44 19.238 4.737 -1.344 1.00 0.00 C flip ATOM 740 NE2 HIS A 44 20.015 3.670 -1.320 1.00 0.00 N flip ATOM 0 H HIS A 44 17.880 6.713 1.959 1.00 0.00 H new ATOM 0 HA HIS A 44 19.017 5.171 4.050 1.00 0.00 H new ATOM 0 HB2 HIS A 44 20.787 4.094 2.552 1.00 0.00 H new ATOM 0 HB3 HIS A 44 19.213 3.326 2.607 1.00 0.00 H new ATOM 0 HD2 HIS A 44 20.895 2.551 0.272 1.00 0.00 H new ATOM 0 HE1 HIS A 44 18.854 5.214 -2.234 1.00 0.00 H new ATOM 0 HE2 HIS A 44 20.352 3.159 -2.136 1.00 0.00 H new ATOM 749 N THR A 45 20.309 7.215 1.782 1.00 0.00 N ATOM 750 CA THR A 45 21.220 8.347 1.600 1.00 0.00 C ATOM 751 C THR A 45 20.791 9.193 0.399 1.00 0.00 C ATOM 752 O THR A 45 19.613 9.225 0.044 1.00 0.00 O ATOM 753 CB THR A 45 22.676 7.878 1.380 1.00 0.00 C ATOM 754 OG1 THR A 45 22.729 6.932 0.305 1.00 0.00 O ATOM 755 CG2 THR A 45 23.263 7.254 2.638 1.00 0.00 C ATOM 0 H THR A 45 19.804 6.946 0.937 1.00 0.00 H new ATOM 0 HA THR A 45 21.175 8.942 2.512 1.00 0.00 H new ATOM 0 HB THR A 45 23.271 8.756 1.129 1.00 0.00 H new ATOM 0 HG1 THR A 45 23.655 6.641 0.171 1.00 0.00 H new ATOM 0 HG21 THR A 45 24.287 6.937 2.443 1.00 0.00 H new ATOM 0 HG22 THR A 45 23.257 7.987 3.445 1.00 0.00 H new ATOM 0 HG23 THR A 45 22.665 6.390 2.929 1.00 0.00 H new ATOM 763 N LYS A 46 21.754 9.868 -0.226 1.00 0.00 N ATOM 764 CA LYS A 46 21.473 10.704 -1.390 1.00 0.00 C ATOM 765 C LYS A 46 21.200 9.844 -2.620 1.00 0.00 C ATOM 766 O LYS A 46 21.322 8.620 -2.572 1.00 0.00 O ATOM 767 CB LYS A 46 22.642 11.657 -1.669 1.00 0.00 C ATOM 768 CG LYS A 46 22.777 12.792 -0.660 1.00 0.00 C ATOM 769 CD LYS A 46 23.104 12.281 0.735 1.00 0.00 C ATOM 770 CE LYS A 46 23.281 13.427 1.719 1.00 0.00 C ATOM 771 NZ LYS A 46 22.048 14.254 1.840 1.00 0.00 N ATOM 0 H LYS A 46 22.735 9.852 0.054 1.00 0.00 H new ATOM 0 HA LYS A 46 20.583 11.295 -1.171 1.00 0.00 H new ATOM 0 HB2 LYS A 46 23.569 11.084 -1.680 1.00 0.00 H new ATOM 0 HB3 LYS A 46 22.519 12.083 -2.665 1.00 0.00 H new ATOM 0 HG2 LYS A 46 23.559 13.477 -0.988 1.00 0.00 H new ATOM 0 HG3 LYS A 46 21.848 13.361 -0.629 1.00 0.00 H new ATOM 0 HD2 LYS A 46 22.306 11.624 1.080 1.00 0.00 H new ATOM 0 HD3 LYS A 46 24.016 11.685 0.701 1.00 0.00 H new ATOM 0 HE2 LYS A 46 23.547 13.027 2.697 1.00 0.00 H new ATOM 0 HE3 LYS A 46 24.110 14.057 1.396 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 22.136 14.891 2.657 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 21.921 14.816 0.975 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 21.225 13.632 1.973 1.00 0.00 H new ATOM 785 N GLY A 47 20.832 10.492 -3.723 1.00 0.00 N ATOM 786 CA GLY A 47 20.548 9.769 -4.950 1.00 0.00 C ATOM 787 C GLY A 47 19.267 8.961 -4.863 1.00 0.00 C ATOM 788 O GLY A 47 18.996 8.322 -3.845 1.00 0.00 O ATOM 0 H GLY A 47 20.726 11.504 -3.788 1.00 0.00 H new ATOM 0 HA2 GLY A 47 20.473 10.476 -5.776 1.00 0.00 H new ATOM 0 HA3 GLY A 47 21.380 9.102 -5.176 1.00 0.00 H new ATOM 792 N ARG A 48 18.474 8.991 -5.930 1.00 0.00 N ATOM 793 CA ARG A 48 17.214 8.257 -5.962 1.00 0.00 C ATOM 794 C ARG A 48 17.448 6.754 -5.813 1.00 0.00 C ATOM 795 O ARG A 48 18.282 6.173 -6.508 1.00 0.00 O ATOM 796 CB ARG A 48 16.456 8.545 -7.260 1.00 0.00 C ATOM 797 CG ARG A 48 16.076 10.006 -7.428 1.00 0.00 C ATOM 798 CD ARG A 48 15.246 10.248 -8.686 1.00 0.00 C ATOM 799 NE ARG A 48 15.970 9.923 -9.917 1.00 0.00 N ATOM 800 CZ ARG A 48 16.067 8.696 -10.427 1.00 0.00 C ATOM 801 NH1 ARG A 48 15.437 7.679 -9.853 1.00 0.00 N ATOM 802 NH2 ARG A 48 16.777 8.489 -11.529 1.00 0.00 N ATOM 0 H ARG A 48 18.681 9.514 -6.781 1.00 0.00 H new ATOM 0 HA ARG A 48 16.611 8.595 -5.119 1.00 0.00 H new ATOM 0 HB2 ARG A 48 17.071 8.238 -8.106 1.00 0.00 H new ATOM 0 HB3 ARG A 48 15.552 7.937 -7.286 1.00 0.00 H new ATOM 0 HG2 ARG A 48 15.513 10.335 -6.555 1.00 0.00 H new ATOM 0 HG3 ARG A 48 16.981 10.612 -7.470 1.00 0.00 H new ATOM 0 HD2 ARG A 48 14.337 9.649 -8.636 1.00 0.00 H new ATOM 0 HD3 ARG A 48 14.938 11.293 -8.717 1.00 0.00 H new ATOM 0 HE ARG A 48 16.429 10.685 -10.416 1.00 0.00 H new ATOM 0 HH11 ARG A 48 14.874 7.834 -9.016 1.00 0.00 H new ATOM 0 HH12 ARG A 48 15.515 6.742 -10.248 1.00 0.00 H new ATOM 0 HH21 ARG A 48 17.249 9.269 -11.986 1.00 0.00 H new ATOM 0 HH22 ARG A 48 16.851 7.549 -11.919 1.00 0.00 H new ATOM 816 N PRO A 49 16.709 6.104 -4.896 1.00 0.00 N ATOM 817 CA PRO A 49 16.829 4.662 -4.646 1.00 0.00 C ATOM 818 C PRO A 49 16.266 3.820 -5.787 1.00 0.00 C ATOM 819 O PRO A 49 15.263 4.182 -6.402 1.00 0.00 O ATOM 820 CB PRO A 49 16.007 4.454 -3.374 1.00 0.00 C ATOM 821 CG PRO A 49 15.005 5.555 -3.392 1.00 0.00 C ATOM 822 CD PRO A 49 15.694 6.729 -4.027 1.00 0.00 C ATOM 0 HA PRO A 49 17.870 4.352 -4.555 1.00 0.00 H new ATOM 0 HB2 PRO A 49 15.523 3.477 -3.370 1.00 0.00 H new ATOM 0 HB3 PRO A 49 16.634 4.503 -2.484 1.00 0.00 H new ATOM 0 HG2 PRO A 49 14.120 5.268 -3.959 1.00 0.00 H new ATOM 0 HG3 PRO A 49 14.672 5.797 -2.383 1.00 0.00 H new ATOM 0 HD2 PRO A 49 14.998 7.341 -4.600 1.00 0.00 H new ATOM 0 HD3 PRO A 49 16.150 7.379 -3.280 1.00 0.00 H new ATOM 830 N PHE A 50 16.919 2.692 -6.063 1.00 0.00 N ATOM 831 CA PHE A 50 16.487 1.793 -7.129 1.00 0.00 C ATOM 832 C PHE A 50 17.302 0.504 -7.105 1.00 0.00 C ATOM 833 O PHE A 50 17.893 0.104 -8.109 1.00 0.00 O ATOM 834 CB PHE A 50 16.631 2.475 -8.488 1.00 0.00 C ATOM 835 CG PHE A 50 16.002 1.718 -9.627 1.00 0.00 C ATOM 836 CD1 PHE A 50 14.711 1.221 -9.523 1.00 0.00 C ATOM 837 CD2 PHE A 50 16.704 1.502 -10.804 1.00 0.00 C ATOM 838 CE1 PHE A 50 14.133 0.526 -10.568 1.00 0.00 C ATOM 839 CE2 PHE A 50 16.131 0.807 -11.852 1.00 0.00 C ATOM 840 CZ PHE A 50 14.845 0.318 -11.735 1.00 0.00 C ATOM 0 H PHE A 50 17.750 2.380 -5.561 1.00 0.00 H new ATOM 0 HA PHE A 50 15.438 1.547 -6.966 1.00 0.00 H new ATOM 0 HB2 PHE A 50 16.182 3.467 -8.434 1.00 0.00 H new ATOM 0 HB3 PHE A 50 17.691 2.616 -8.701 1.00 0.00 H new ATOM 0 HD1 PHE A 50 14.151 1.379 -8.614 1.00 0.00 H new ATOM 0 HD2 PHE A 50 17.710 1.882 -10.902 1.00 0.00 H new ATOM 0 HE1 PHE A 50 13.127 0.146 -10.473 1.00 0.00 H new ATOM 0 HE2 PHE A 50 16.689 0.646 -12.763 1.00 0.00 H new ATOM 0 HZ PHE A 50 14.396 -0.226 -12.553 1.00 0.00 H new ATOM 850 N ARG A 51 17.332 -0.136 -5.946 1.00 0.00 N ATOM 851 CA ARG A 51 18.079 -1.380 -5.779 1.00 0.00 C ATOM 852 C ARG A 51 17.503 -2.232 -4.661 1.00 0.00 C ATOM 853 O ARG A 51 17.410 -3.454 -4.772 1.00 0.00 O ATOM 854 CB ARG A 51 19.554 -1.081 -5.500 1.00 0.00 C ATOM 855 CG ARG A 51 20.398 -2.314 -5.274 1.00 0.00 C ATOM 856 CD ARG A 51 21.859 -1.941 -5.124 1.00 0.00 C ATOM 857 NE ARG A 51 22.476 -1.608 -6.405 1.00 0.00 N ATOM 858 CZ ARG A 51 23.735 -1.202 -6.534 1.00 0.00 C ATOM 859 NH1 ARG A 51 24.506 -1.066 -5.464 1.00 0.00 N ATOM 860 NH2 ARG A 51 24.224 -0.928 -7.735 1.00 0.00 N ATOM 0 H ARG A 51 16.849 0.183 -5.106 1.00 0.00 H new ATOM 0 HA ARG A 51 17.995 -1.942 -6.709 1.00 0.00 H new ATOM 0 HB2 ARG A 51 19.966 -0.520 -6.339 1.00 0.00 H new ATOM 0 HB3 ARG A 51 19.624 -0.439 -4.622 1.00 0.00 H new ATOM 0 HG2 ARG A 51 20.057 -2.836 -4.380 1.00 0.00 H new ATOM 0 HG3 ARG A 51 20.277 -3.002 -6.110 1.00 0.00 H new ATOM 0 HD2 ARG A 51 21.948 -1.091 -4.448 1.00 0.00 H new ATOM 0 HD3 ARG A 51 22.399 -2.770 -4.667 1.00 0.00 H new ATOM 0 HE ARG A 51 21.909 -1.692 -7.249 1.00 0.00 H new ATOM 0 HH11 ARG A 51 24.134 -1.273 -4.537 1.00 0.00 H new ATOM 0 HH12 ARG A 51 25.472 -0.754 -5.568 1.00 0.00 H new ATOM 0 HH21 ARG A 51 23.634 -1.029 -8.561 1.00 0.00 H new ATOM 0 HH22 ARG A 51 25.190 -0.616 -7.833 1.00 0.00 H new ATOM 874 N GLY A 52 17.130 -1.571 -3.590 1.00 0.00 N ATOM 875 CA GLY A 52 16.568 -2.259 -2.439 1.00 0.00 C ATOM 876 C GLY A 52 15.131 -2.674 -2.644 1.00 0.00 C ATOM 877 O GLY A 52 14.768 -3.239 -3.676 1.00 0.00 O ATOM 0 H GLY A 52 17.203 -0.559 -3.486 1.00 0.00 H new ATOM 0 HA2 GLY A 52 17.168 -3.143 -2.222 1.00 0.00 H new ATOM 0 HA3 GLY A 52 16.632 -1.608 -1.567 1.00 0.00 H new ATOM 881 N MET A 53 14.318 -2.388 -1.640 1.00 0.00 N ATOM 882 CA MET A 53 12.905 -2.716 -1.660 1.00 0.00 C ATOM 883 C MET A 53 12.163 -1.829 -2.650 1.00 0.00 C ATOM 884 O MET A 53 12.564 -0.692 -2.897 1.00 0.00 O ATOM 885 CB MET A 53 12.334 -2.542 -0.259 1.00 0.00 C ATOM 886 CG MET A 53 10.921 -3.082 -0.094 1.00 0.00 C ATOM 887 SD MET A 53 10.274 -2.829 1.569 1.00 0.00 S ATOM 888 CE MET A 53 8.625 -3.508 1.404 1.00 0.00 C ATOM 0 H MET A 53 14.622 -1.920 -0.786 1.00 0.00 H new ATOM 0 HA MET A 53 12.780 -3.751 -1.978 1.00 0.00 H new ATOM 0 HB2 MET A 53 12.989 -3.043 0.454 1.00 0.00 H new ATOM 0 HB3 MET A 53 12.339 -1.482 -0.005 1.00 0.00 H new ATOM 0 HG2 MET A 53 10.263 -2.595 -0.814 1.00 0.00 H new ATOM 0 HG3 MET A 53 10.914 -4.147 -0.325 1.00 0.00 H new ATOM 0 HE1 MET A 53 7.900 -2.810 1.823 1.00 0.00 H new ATOM 0 HE2 MET A 53 8.403 -3.672 0.350 1.00 0.00 H new ATOM 0 HE3 MET A 53 8.567 -4.456 1.939 1.00 0.00 H new ATOM 898 N SER A 54 11.082 -2.351 -3.214 1.00 0.00 N ATOM 899 CA SER A 54 10.295 -1.592 -4.175 1.00 0.00 C ATOM 900 C SER A 54 8.867 -2.120 -4.251 1.00 0.00 C ATOM 901 O SER A 54 8.318 -2.593 -3.257 1.00 0.00 O ATOM 902 CB SER A 54 10.954 -1.646 -5.556 1.00 0.00 C ATOM 903 OG SER A 54 11.055 -2.979 -6.023 1.00 0.00 O ATOM 0 H SER A 54 10.732 -3.290 -3.024 1.00 0.00 H new ATOM 0 HA SER A 54 10.256 -0.555 -3.840 1.00 0.00 H new ATOM 0 HB2 SER A 54 10.373 -1.053 -6.263 1.00 0.00 H new ATOM 0 HB3 SER A 54 11.947 -1.199 -5.506 1.00 0.00 H new ATOM 0 HG SER A 54 11.478 -2.985 -6.907 1.00 0.00 H new ATOM 909 N GLU A 55 8.268 -2.026 -5.433 1.00 0.00 N ATOM 910 CA GLU A 55 6.900 -2.482 -5.636 1.00 0.00 C ATOM 911 C GLU A 55 6.803 -4.002 -5.579 1.00 0.00 C ATOM 912 O GLU A 55 5.763 -4.552 -5.227 1.00 0.00 O ATOM 913 CB GLU A 55 6.370 -1.970 -6.972 1.00 0.00 C ATOM 914 CG GLU A 55 6.501 -0.465 -7.132 1.00 0.00 C ATOM 915 CD GLU A 55 5.742 0.321 -6.077 1.00 0.00 C ATOM 916 OE1 GLU A 55 5.119 -0.304 -5.193 1.00 0.00 O ATOM 917 OE2 GLU A 55 5.774 1.569 -6.134 1.00 0.00 O ATOM 0 H GLU A 55 8.710 -1.637 -6.266 1.00 0.00 H new ATOM 0 HA GLU A 55 6.289 -2.079 -4.828 1.00 0.00 H new ATOM 0 HB2 GLU A 55 6.908 -2.463 -7.782 1.00 0.00 H new ATOM 0 HB3 GLU A 55 5.321 -2.249 -7.070 1.00 0.00 H new ATOM 0 HG2 GLU A 55 7.556 -0.193 -7.089 1.00 0.00 H new ATOM 0 HG3 GLU A 55 6.138 -0.179 -8.119 1.00 0.00 H new ATOM 924 N GLU A 56 7.889 -4.674 -5.943 1.00 0.00 N ATOM 925 CA GLU A 56 7.923 -6.133 -5.948 1.00 0.00 C ATOM 926 C GLU A 56 7.542 -6.715 -4.584 1.00 0.00 C ATOM 927 O GLU A 56 6.704 -7.613 -4.500 1.00 0.00 O ATOM 928 CB GLU A 56 9.312 -6.626 -6.358 1.00 0.00 C ATOM 929 CG GLU A 56 10.432 -6.088 -5.481 1.00 0.00 C ATOM 930 CD GLU A 56 11.800 -6.586 -5.905 1.00 0.00 C ATOM 931 OE1 GLU A 56 11.876 -7.355 -6.888 1.00 0.00 O ATOM 932 OE2 GLU A 56 12.796 -6.207 -5.255 1.00 0.00 O ATOM 0 H GLU A 56 8.759 -4.232 -6.239 1.00 0.00 H new ATOM 0 HA GLU A 56 7.186 -6.478 -6.674 1.00 0.00 H new ATOM 0 HB2 GLU A 56 9.326 -7.715 -6.324 1.00 0.00 H new ATOM 0 HB3 GLU A 56 9.501 -6.337 -7.392 1.00 0.00 H new ATOM 0 HG2 GLU A 56 10.421 -4.999 -5.513 1.00 0.00 H new ATOM 0 HG3 GLU A 56 10.249 -6.379 -4.447 1.00 0.00 H new ATOM 939 N GLU A 57 8.164 -6.209 -3.522 1.00 0.00 N ATOM 940 CA GLU A 57 7.887 -6.696 -2.172 1.00 0.00 C ATOM 941 C GLU A 57 6.548 -6.191 -1.651 1.00 0.00 C ATOM 942 O GLU A 57 5.727 -6.971 -1.174 1.00 0.00 O ATOM 943 CB GLU A 57 8.991 -6.267 -1.209 1.00 0.00 C ATOM 944 CG GLU A 57 8.787 -6.786 0.206 1.00 0.00 C ATOM 945 CD GLU A 57 9.071 -8.271 0.333 1.00 0.00 C ATOM 946 OE1 GLU A 57 9.440 -8.897 -0.683 1.00 0.00 O ATOM 947 OE2 GLU A 57 8.925 -8.808 1.452 1.00 0.00 O ATOM 0 H GLU A 57 8.860 -5.465 -3.569 1.00 0.00 H new ATOM 0 HA GLU A 57 7.848 -7.784 -2.229 1.00 0.00 H new ATOM 0 HB2 GLU A 57 9.950 -6.623 -1.585 1.00 0.00 H new ATOM 0 HB3 GLU A 57 9.041 -5.178 -1.186 1.00 0.00 H new ATOM 0 HG2 GLU A 57 9.437 -6.237 0.887 1.00 0.00 H new ATOM 0 HG3 GLU A 57 7.761 -6.589 0.516 1.00 0.00 H new ATOM 954 N VAL A 58 6.340 -4.879 -1.727 1.00 0.00 N ATOM 955 CA VAL A 58 5.107 -4.270 -1.241 1.00 0.00 C ATOM 956 C VAL A 58 3.883 -4.949 -1.844 1.00 0.00 C ATOM 957 O VAL A 58 2.918 -5.245 -1.141 1.00 0.00 O ATOM 958 CB VAL A 58 5.060 -2.764 -1.560 1.00 0.00 C ATOM 959 CG1 VAL A 58 3.806 -2.130 -0.976 1.00 0.00 C ATOM 960 CG2 VAL A 58 6.307 -2.068 -1.039 1.00 0.00 C ATOM 0 H VAL A 58 7.010 -4.218 -2.121 1.00 0.00 H new ATOM 0 HA VAL A 58 5.093 -4.403 -0.159 1.00 0.00 H new ATOM 0 HB VAL A 58 5.029 -2.644 -2.643 1.00 0.00 H new ATOM 0 HG11 VAL A 58 3.792 -1.066 -1.213 1.00 0.00 H new ATOM 0 HG12 VAL A 58 2.924 -2.608 -1.402 1.00 0.00 H new ATOM 0 HG13 VAL A 58 3.802 -2.261 0.106 1.00 0.00 H new ATOM 0 HG21 VAL A 58 6.255 -1.005 -1.274 1.00 0.00 H new ATOM 0 HG22 VAL A 58 6.372 -2.198 0.041 1.00 0.00 H new ATOM 0 HG23 VAL A 58 7.189 -2.501 -1.510 1.00 0.00 H new ATOM 970 N PHE A 59 3.936 -5.205 -3.144 1.00 0.00 N ATOM 971 CA PHE A 59 2.837 -5.862 -3.837 1.00 0.00 C ATOM 972 C PHE A 59 2.613 -7.264 -3.284 1.00 0.00 C ATOM 973 O PHE A 59 1.480 -7.737 -3.201 1.00 0.00 O ATOM 974 CB PHE A 59 3.120 -5.935 -5.340 1.00 0.00 C ATOM 975 CG PHE A 59 2.062 -6.662 -6.123 1.00 0.00 C ATOM 976 CD1 PHE A 59 0.722 -6.341 -5.973 1.00 0.00 C ATOM 977 CD2 PHE A 59 2.411 -7.670 -7.008 1.00 0.00 C ATOM 978 CE1 PHE A 59 -0.250 -7.012 -6.691 1.00 0.00 C ATOM 979 CE2 PHE A 59 1.443 -8.344 -7.729 1.00 0.00 C ATOM 980 CZ PHE A 59 0.111 -8.014 -7.570 1.00 0.00 C ATOM 0 H PHE A 59 4.729 -4.967 -3.740 1.00 0.00 H new ATOM 0 HA PHE A 59 1.934 -5.274 -3.674 1.00 0.00 H new ATOM 0 HB2 PHE A 59 3.217 -4.922 -5.731 1.00 0.00 H new ATOM 0 HB3 PHE A 59 4.079 -6.430 -5.496 1.00 0.00 H new ATOM 0 HD1 PHE A 59 0.434 -5.558 -5.287 1.00 0.00 H new ATOM 0 HD2 PHE A 59 3.451 -7.932 -7.136 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -1.291 -6.753 -6.565 1.00 0.00 H new ATOM 0 HE2 PHE A 59 1.728 -9.127 -8.416 1.00 0.00 H new ATOM 0 HZ PHE A 59 -0.647 -8.539 -8.132 1.00 0.00 H new ATOM 990 N THR A 60 3.705 -7.928 -2.920 1.00 0.00 N ATOM 991 CA THR A 60 3.637 -9.282 -2.389 1.00 0.00 C ATOM 992 C THR A 60 3.061 -9.312 -0.974 1.00 0.00 C ATOM 993 O THR A 60 2.144 -10.078 -0.690 1.00 0.00 O ATOM 994 CB THR A 60 5.028 -9.946 -2.379 1.00 0.00 C ATOM 995 OG1 THR A 60 5.572 -9.958 -3.705 1.00 0.00 O ATOM 996 CG2 THR A 60 4.951 -11.370 -1.850 1.00 0.00 C ATOM 0 H THR A 60 4.649 -7.548 -2.984 1.00 0.00 H new ATOM 0 HA THR A 60 2.972 -9.839 -3.049 1.00 0.00 H new ATOM 0 HB THR A 60 5.675 -9.366 -1.720 1.00 0.00 H new ATOM 0 HG1 THR A 60 5.898 -9.062 -3.933 1.00 0.00 H new ATOM 0 HG21 THR A 60 5.946 -11.814 -1.854 1.00 0.00 H new ATOM 0 HG22 THR A 60 4.563 -11.359 -0.832 1.00 0.00 H new ATOM 0 HG23 THR A 60 4.289 -11.959 -2.485 1.00 0.00 H new ATOM 1004 N GLU A 61 3.613 -8.484 -0.092 1.00 0.00 N ATOM 1005 CA GLU A 61 3.165 -8.423 1.295 1.00 0.00 C ATOM 1006 C GLU A 61 1.683 -8.072 1.376 1.00 0.00 C ATOM 1007 O GLU A 61 0.927 -8.707 2.111 1.00 0.00 O ATOM 1008 CB GLU A 61 3.997 -7.406 2.076 1.00 0.00 C ATOM 1009 CG GLU A 61 3.825 -7.501 3.583 1.00 0.00 C ATOM 1010 CD GLU A 61 4.310 -8.823 4.149 1.00 0.00 C ATOM 1011 OE1 GLU A 61 3.747 -9.875 3.777 1.00 0.00 O ATOM 1012 OE2 GLU A 61 5.254 -8.806 4.966 1.00 0.00 O ATOM 0 H GLU A 61 4.375 -7.843 -0.315 1.00 0.00 H new ATOM 0 HA GLU A 61 3.304 -9.408 1.741 1.00 0.00 H new ATOM 0 HB2 GLU A 61 5.050 -7.546 1.830 1.00 0.00 H new ATOM 0 HB3 GLU A 61 3.725 -6.402 1.751 1.00 0.00 H new ATOM 0 HG2 GLU A 61 4.370 -6.686 4.058 1.00 0.00 H new ATOM 0 HG3 GLU A 61 2.772 -7.369 3.833 1.00 0.00 H new ATOM 1019 N VAL A 62 1.267 -7.070 0.607 1.00 0.00 N ATOM 1020 CA VAL A 62 -0.132 -6.659 0.589 1.00 0.00 C ATOM 1021 C VAL A 62 -1.000 -7.784 0.036 1.00 0.00 C ATOM 1022 O VAL A 62 -2.065 -8.080 0.574 1.00 0.00 O ATOM 1023 CB VAL A 62 -0.344 -5.390 -0.260 1.00 0.00 C ATOM 1024 CG1 VAL A 62 -1.816 -5.010 -0.299 1.00 0.00 C ATOM 1025 CG2 VAL A 62 0.492 -4.241 0.283 1.00 0.00 C ATOM 0 H VAL A 62 1.876 -6.530 -0.009 1.00 0.00 H new ATOM 0 HA VAL A 62 -0.420 -6.435 1.616 1.00 0.00 H new ATOM 0 HB VAL A 62 -0.020 -5.600 -1.279 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -1.944 -4.112 -0.903 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -2.391 -5.826 -0.736 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -2.169 -4.819 0.714 1.00 0.00 H new ATOM 0 HG21 VAL A 62 0.330 -3.353 -0.328 1.00 0.00 H new ATOM 0 HG22 VAL A 62 0.199 -4.032 1.312 1.00 0.00 H new ATOM 0 HG23 VAL A 62 1.547 -4.514 0.255 1.00 0.00 H new ATOM 1035 N ALA A 63 -0.526 -8.419 -1.036 1.00 0.00 N ATOM 1036 CA ALA A 63 -1.249 -9.526 -1.653 1.00 0.00 C ATOM 1037 C ALA A 63 -1.422 -10.662 -0.653 1.00 0.00 C ATOM 1038 O ALA A 63 -2.493 -11.263 -0.552 1.00 0.00 O ATOM 1039 CB ALA A 63 -0.512 -10.021 -2.888 1.00 0.00 C ATOM 0 H ALA A 63 0.355 -8.184 -1.493 1.00 0.00 H new ATOM 0 HA ALA A 63 -2.234 -9.171 -1.957 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -1.065 -10.847 -3.335 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -0.425 -9.209 -3.610 1.00 0.00 H new ATOM 0 HB3 ALA A 63 0.484 -10.363 -2.605 1.00 0.00 H new ATOM 1045 N ASN A 64 -0.357 -10.935 0.095 1.00 0.00 N ATOM 1046 CA ASN A 64 -0.371 -11.981 1.108 1.00 0.00 C ATOM 1047 C ASN A 64 -1.452 -11.698 2.147 1.00 0.00 C ATOM 1048 O ASN A 64 -2.149 -12.606 2.600 1.00 0.00 O ATOM 1049 CB ASN A 64 1.005 -12.085 1.779 1.00 0.00 C ATOM 1050 CG ASN A 64 2.055 -12.699 0.868 1.00 0.00 C ATOM 1051 OD1 ASN A 64 3.183 -12.010 0.696 1.00 0.00 O flip ATOM 1052 ND2 ASN A 64 1.861 -13.790 0.332 1.00 0.00 N flip ATOM 0 H ASN A 64 0.532 -10.441 0.016 1.00 0.00 H new ATOM 0 HA ASN A 64 -0.596 -12.933 0.627 1.00 0.00 H new ATOM 0 HB2 ASN A 64 1.332 -11.091 2.085 1.00 0.00 H new ATOM 0 HB3 ASN A 64 0.919 -12.686 2.685 1.00 0.00 H new ATOM 0 HD21 ASN A 64 0.984 -14.286 0.489 1.00 0.00 H new ATOM 0 HD22 ASN A 64 2.577 -14.198 -0.269 1.00 0.00 H new ATOM 1059 N LEU A 65 -1.590 -10.427 2.507 1.00 0.00 N ATOM 1060 CA LEU A 65 -2.588 -10.000 3.477 1.00 0.00 C ATOM 1061 C LEU A 65 -3.996 -10.148 2.922 1.00 0.00 C ATOM 1062 O LEU A 65 -4.810 -10.913 3.439 1.00 0.00 O ATOM 1063 CB LEU A 65 -2.358 -8.536 3.829 1.00 0.00 C ATOM 1064 CG LEU A 65 -1.600 -8.274 5.124 1.00 0.00 C ATOM 1065 CD1 LEU A 65 -1.343 -6.785 5.268 1.00 0.00 C ATOM 1066 CD2 LEU A 65 -2.388 -8.799 6.313 1.00 0.00 C ATOM 0 H LEU A 65 -1.017 -9.669 2.137 1.00 0.00 H new ATOM 0 HA LEU A 65 -2.489 -10.630 4.361 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -1.812 -8.067 3.010 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -3.327 -8.041 3.891 1.00 0.00 H new ATOM 0 HG LEU A 65 -0.644 -8.797 5.094 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -0.801 -6.597 6.195 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -0.750 -6.435 4.423 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -2.294 -6.252 5.290 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -1.834 -8.605 7.231 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -3.354 -8.297 6.359 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -2.542 -9.872 6.202 1.00 0.00 H new ATOM 1078 N PHE A 66 -4.271 -9.378 1.877 1.00 0.00 N ATOM 1079 CA PHE A 66 -5.578 -9.369 1.228 1.00 0.00 C ATOM 1080 C PHE A 66 -5.799 -10.627 0.387 1.00 0.00 C ATOM 1081 O PHE A 66 -6.326 -10.552 -0.723 1.00 0.00 O ATOM 1082 CB PHE A 66 -5.697 -8.132 0.332 1.00 0.00 C ATOM 1083 CG PHE A 66 -5.552 -6.807 1.043 1.00 0.00 C ATOM 1084 CD1 PHE A 66 -5.222 -6.734 2.392 1.00 0.00 C ATOM 1085 CD2 PHE A 66 -5.736 -5.625 0.342 1.00 0.00 C ATOM 1086 CE1 PHE A 66 -5.083 -5.511 3.021 1.00 0.00 C ATOM 1087 CE2 PHE A 66 -5.600 -4.400 0.968 1.00 0.00 C ATOM 1088 CZ PHE A 66 -5.274 -4.344 2.309 1.00 0.00 C ATOM 0 H PHE A 66 -3.595 -8.742 1.455 1.00 0.00 H new ATOM 0 HA PHE A 66 -6.339 -9.345 2.008 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -4.937 -8.193 -0.447 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -6.667 -8.155 -0.165 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -5.073 -7.644 2.955 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -5.989 -5.662 -0.707 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -4.825 -5.469 4.069 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -5.748 -3.488 0.409 1.00 0.00 H new ATOM 0 HZ PHE A 66 -5.169 -3.388 2.800 1.00 0.00 H new ATOM 1098 N ARG A 67 -5.396 -11.778 0.913 1.00 0.00 N ATOM 1099 CA ARG A 67 -5.556 -13.040 0.201 1.00 0.00 C ATOM 1100 C ARG A 67 -7.031 -13.343 -0.044 1.00 0.00 C ATOM 1101 O ARG A 67 -7.872 -13.144 0.835 1.00 0.00 O ATOM 1102 CB ARG A 67 -4.894 -14.176 0.984 1.00 0.00 C ATOM 1103 CG ARG A 67 -5.041 -15.540 0.331 1.00 0.00 C ATOM 1104 CD ARG A 67 -4.268 -16.603 1.094 1.00 0.00 C ATOM 1105 NE ARG A 67 -4.672 -16.671 2.496 1.00 0.00 N ATOM 1106 CZ ARG A 67 -4.122 -17.495 3.384 1.00 0.00 C ATOM 1107 NH1 ARG A 67 -3.152 -18.323 3.017 1.00 0.00 N ATOM 1108 NH2 ARG A 67 -4.542 -17.489 4.643 1.00 0.00 N ATOM 0 H ARG A 67 -4.956 -11.863 1.829 1.00 0.00 H new ATOM 0 HA ARG A 67 -5.066 -12.953 -0.769 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -3.834 -13.953 1.102 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -5.325 -14.214 1.984 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -6.095 -15.814 0.289 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -4.682 -15.494 -0.697 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -4.425 -17.574 0.624 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -3.201 -16.389 1.034 1.00 0.00 H new ATOM 0 HE ARG A 67 -5.418 -16.052 2.812 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -2.825 -18.329 2.051 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -2.733 -18.953 3.701 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -5.286 -16.853 4.929 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -4.121 -18.121 5.324 1.00 0.00 H new ATOM 1122 N GLY A 68 -7.338 -13.817 -1.249 1.00 0.00 N ATOM 1123 CA GLY A 68 -8.711 -14.130 -1.602 1.00 0.00 C ATOM 1124 C GLY A 68 -9.490 -12.901 -2.032 1.00 0.00 C ATOM 1125 O GLY A 68 -10.205 -12.930 -3.033 1.00 0.00 O ATOM 0 H GLY A 68 -6.657 -13.990 -1.989 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -8.718 -14.863 -2.409 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -9.207 -14.591 -0.748 1.00 0.00 H new ATOM 1129 N GLN A 69 -9.344 -11.815 -1.276 1.00 0.00 N ATOM 1130 CA GLN A 69 -10.027 -10.564 -1.584 1.00 0.00 C ATOM 1131 C GLN A 69 -9.188 -9.718 -2.538 1.00 0.00 C ATOM 1132 O GLN A 69 -8.898 -8.552 -2.266 1.00 0.00 O ATOM 1133 CB GLN A 69 -10.322 -9.801 -0.289 1.00 0.00 C ATOM 1134 CG GLN A 69 -11.345 -10.503 0.594 1.00 0.00 C ATOM 1135 CD GLN A 69 -11.383 -9.974 2.019 1.00 0.00 C ATOM 1136 OE1 GLN A 69 -10.422 -9.128 2.373 1.00 0.00 O flip ATOM 1137 NE2 GLN A 69 -12.262 -10.339 2.801 1.00 0.00 N flip ATOM 0 H GLN A 69 -8.756 -11.778 -0.443 1.00 0.00 H new ATOM 0 HA GLN A 69 -10.973 -10.787 -2.078 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -9.395 -9.672 0.270 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -10.686 -8.804 -0.536 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -12.334 -10.394 0.148 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -11.122 -11.570 0.617 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -12.983 -10.990 2.490 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -12.269 -9.990 3.759 1.00 0.00 H new ATOM 1146 N GLU A 70 -8.787 -10.327 -3.652 1.00 0.00 N ATOM 1147 CA GLU A 70 -7.964 -9.656 -4.654 1.00 0.00 C ATOM 1148 C GLU A 70 -8.718 -8.536 -5.366 1.00 0.00 C ATOM 1149 O GLU A 70 -8.204 -7.944 -6.315 1.00 0.00 O ATOM 1150 CB GLU A 70 -7.457 -10.665 -5.679 1.00 0.00 C ATOM 1151 CG GLU A 70 -6.608 -11.758 -5.063 1.00 0.00 C ATOM 1152 CD GLU A 70 -6.224 -12.835 -6.058 1.00 0.00 C ATOM 1153 OE1 GLU A 70 -6.591 -12.706 -7.246 1.00 0.00 O ATOM 1154 OE2 GLU A 70 -5.556 -13.808 -5.650 1.00 0.00 O ATOM 0 H GLU A 70 -9.022 -11.292 -3.884 1.00 0.00 H new ATOM 0 HA GLU A 70 -7.122 -9.206 -4.129 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -8.308 -11.117 -6.188 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -6.873 -10.143 -6.437 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -5.703 -11.317 -4.645 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -7.153 -12.212 -4.235 1.00 0.00 H new ATOM 1161 N ASP A 71 -9.929 -8.242 -4.910 1.00 0.00 N ATOM 1162 CA ASP A 71 -10.727 -7.184 -5.518 1.00 0.00 C ATOM 1163 C ASP A 71 -10.010 -5.846 -5.384 1.00 0.00 C ATOM 1164 O ASP A 71 -9.853 -5.107 -6.356 1.00 0.00 O ATOM 1165 CB ASP A 71 -12.101 -7.110 -4.861 1.00 0.00 C ATOM 1166 CG ASP A 71 -12.870 -8.409 -4.985 1.00 0.00 C ATOM 1167 OD1 ASP A 71 -13.128 -8.839 -6.128 1.00 0.00 O ATOM 1168 OD2 ASP A 71 -13.215 -8.998 -3.938 1.00 0.00 O ATOM 0 H ASP A 71 -10.378 -8.717 -4.127 1.00 0.00 H new ATOM 0 HA ASP A 71 -10.859 -7.411 -6.576 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -11.984 -6.859 -3.807 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -12.677 -6.305 -5.318 1.00 0.00 H new ATOM 1173 N LEU A 72 -9.562 -5.557 -4.170 1.00 0.00 N ATOM 1174 CA LEU A 72 -8.839 -4.327 -3.881 1.00 0.00 C ATOM 1175 C LEU A 72 -7.435 -4.387 -4.479 1.00 0.00 C ATOM 1176 O LEU A 72 -6.887 -3.375 -4.926 1.00 0.00 O ATOM 1177 CB LEU A 72 -8.756 -4.121 -2.369 1.00 0.00 C ATOM 1178 CG LEU A 72 -10.107 -4.053 -1.652 1.00 0.00 C ATOM 1179 CD1 LEU A 72 -9.949 -4.434 -0.187 1.00 0.00 C ATOM 1180 CD2 LEU A 72 -10.712 -2.657 -1.778 1.00 0.00 C ATOM 0 H LEU A 72 -9.689 -6.166 -3.361 1.00 0.00 H new ATOM 0 HA LEU A 72 -9.373 -3.488 -4.328 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -8.173 -4.935 -1.938 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -8.210 -3.198 -2.172 1.00 0.00 H new ATOM 0 HG LEU A 72 -10.784 -4.764 -2.125 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -10.918 -4.381 0.309 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -9.560 -5.450 -0.115 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -9.256 -3.745 0.295 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -11.672 -2.628 -1.262 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -10.038 -1.927 -1.331 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -10.859 -2.418 -2.831 1.00 0.00 H new ATOM 1192 N LEU A 73 -6.865 -5.588 -4.482 1.00 0.00 N ATOM 1193 CA LEU A 73 -5.542 -5.821 -5.006 1.00 0.00 C ATOM 1194 C LEU A 73 -5.423 -5.308 -6.436 1.00 0.00 C ATOM 1195 O LEU A 73 -4.390 -4.768 -6.828 1.00 0.00 O ATOM 1196 CB LEU A 73 -5.268 -7.316 -4.961 1.00 0.00 C ATOM 1197 CG LEU A 73 -4.043 -7.746 -4.148 1.00 0.00 C ATOM 1198 CD1 LEU A 73 -2.854 -6.842 -4.425 1.00 0.00 C ATOM 1199 CD2 LEU A 73 -4.373 -7.752 -2.667 1.00 0.00 C ATOM 0 H LEU A 73 -7.318 -6.426 -4.117 1.00 0.00 H new ATOM 0 HA LEU A 73 -4.811 -5.284 -4.402 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -6.146 -7.815 -4.551 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -5.146 -7.675 -5.983 1.00 0.00 H new ATOM 0 HG LEU A 73 -3.771 -8.757 -4.453 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -2.000 -7.172 -3.834 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -2.601 -6.888 -5.484 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -3.106 -5.816 -4.156 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -3.494 -8.059 -2.100 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -4.673 -6.751 -2.357 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -5.189 -8.450 -2.479 1.00 0.00 H new ATOM 1211 N SER A 74 -6.489 -5.487 -7.207 1.00 0.00 N ATOM 1212 CA SER A 74 -6.517 -5.048 -8.596 1.00 0.00 C ATOM 1213 C SER A 74 -6.184 -3.564 -8.700 1.00 0.00 C ATOM 1214 O SER A 74 -5.430 -3.146 -9.578 1.00 0.00 O ATOM 1215 CB SER A 74 -7.893 -5.316 -9.203 1.00 0.00 C ATOM 1216 OG SER A 74 -7.938 -4.923 -10.563 1.00 0.00 O ATOM 0 H SER A 74 -7.349 -5.935 -6.891 1.00 0.00 H new ATOM 0 HA SER A 74 -5.765 -5.611 -9.149 1.00 0.00 H new ATOM 0 HB2 SER A 74 -8.130 -6.377 -9.120 1.00 0.00 H new ATOM 0 HB3 SER A 74 -8.653 -4.775 -8.640 1.00 0.00 H new ATOM 0 HG SER A 74 -8.829 -5.107 -10.927 1.00 0.00 H new ATOM 1222 N GLU A 75 -6.750 -2.775 -7.794 1.00 0.00 N ATOM 1223 CA GLU A 75 -6.514 -1.337 -7.774 1.00 0.00 C ATOM 1224 C GLU A 75 -5.062 -1.037 -7.422 1.00 0.00 C ATOM 1225 O GLU A 75 -4.412 -0.210 -8.062 1.00 0.00 O ATOM 1226 CB GLU A 75 -7.446 -0.666 -6.764 1.00 0.00 C ATOM 1227 CG GLU A 75 -8.920 -0.908 -7.042 1.00 0.00 C ATOM 1228 CD GLU A 75 -9.823 -0.235 -6.028 1.00 0.00 C ATOM 1229 OE1 GLU A 75 -9.767 1.008 -5.916 1.00 0.00 O ATOM 1230 OE2 GLU A 75 -10.587 -0.949 -5.345 1.00 0.00 O ATOM 0 H GLU A 75 -7.377 -3.108 -7.062 1.00 0.00 H new ATOM 0 HA GLU A 75 -6.720 -0.939 -8.768 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -7.209 -1.031 -5.765 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -7.256 0.407 -6.764 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -9.163 -0.541 -8.039 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -9.115 -1.980 -7.041 1.00 0.00 H new ATOM 1237 N PHE A 76 -4.565 -1.718 -6.396 1.00 0.00 N ATOM 1238 CA PHE A 76 -3.192 -1.539 -5.938 1.00 0.00 C ATOM 1239 C PHE A 76 -2.189 -1.814 -7.059 1.00 0.00 C ATOM 1240 O PHE A 76 -1.223 -1.073 -7.236 1.00 0.00 O ATOM 1241 CB PHE A 76 -2.922 -2.472 -4.756 1.00 0.00 C ATOM 1242 CG PHE A 76 -1.576 -2.284 -4.111 1.00 0.00 C ATOM 1243 CD1 PHE A 76 -1.136 -1.023 -3.738 1.00 0.00 C ATOM 1244 CD2 PHE A 76 -0.756 -3.374 -3.868 1.00 0.00 C ATOM 1245 CE1 PHE A 76 0.096 -0.854 -3.136 1.00 0.00 C ATOM 1246 CE2 PHE A 76 0.478 -3.213 -3.269 1.00 0.00 C ATOM 1247 CZ PHE A 76 0.904 -1.950 -2.902 1.00 0.00 C ATOM 0 H PHE A 76 -5.097 -2.405 -5.862 1.00 0.00 H new ATOM 0 HA PHE A 76 -3.068 -0.502 -5.626 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -3.696 -2.319 -4.004 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -3.007 -3.504 -5.096 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -1.764 -0.163 -3.920 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -1.086 -4.363 -4.151 1.00 0.00 H new ATOM 0 HE1 PHE A 76 0.427 0.133 -2.849 1.00 0.00 H new ATOM 0 HE2 PHE A 76 1.108 -4.071 -3.088 1.00 0.00 H new ATOM 0 HZ PHE A 76 1.868 -1.820 -2.433 1.00 0.00 H new ATOM 1257 N GLY A 77 -2.422 -2.893 -7.800 1.00 0.00 N ATOM 1258 CA GLY A 77 -1.530 -3.268 -8.884 1.00 0.00 C ATOM 1259 C GLY A 77 -1.478 -2.252 -10.011 1.00 0.00 C ATOM 1260 O GLY A 77 -0.404 -1.969 -10.544 1.00 0.00 O ATOM 0 H GLY A 77 -3.217 -3.518 -7.668 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -0.525 -3.406 -8.485 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -1.847 -4.229 -9.288 1.00 0.00 H new ATOM 1264 N GLN A 78 -2.635 -1.714 -10.388 1.00 0.00 N ATOM 1265 CA GLN A 78 -2.707 -0.738 -11.473 1.00 0.00 C ATOM 1266 C GLN A 78 -1.734 0.418 -11.256 1.00 0.00 C ATOM 1267 O GLN A 78 -1.035 0.829 -12.183 1.00 0.00 O ATOM 1268 CB GLN A 78 -4.131 -0.198 -11.616 1.00 0.00 C ATOM 1269 CG GLN A 78 -5.141 -1.252 -12.042 1.00 0.00 C ATOM 1270 CD GLN A 78 -6.528 -0.680 -12.249 1.00 0.00 C ATOM 1271 OE1 GLN A 78 -6.725 0.220 -13.065 1.00 0.00 O ATOM 1272 NE2 GLN A 78 -7.498 -1.202 -11.511 1.00 0.00 N ATOM 0 H GLN A 78 -3.534 -1.936 -9.960 1.00 0.00 H new ATOM 0 HA GLN A 78 -2.423 -1.252 -12.392 1.00 0.00 H new ATOM 0 HB2 GLN A 78 -4.445 0.231 -10.665 1.00 0.00 H new ATOM 0 HB3 GLN A 78 -4.132 0.611 -12.346 1.00 0.00 H new ATOM 0 HG2 GLN A 78 -4.804 -1.720 -12.967 1.00 0.00 H new ATOM 0 HG3 GLN A 78 -5.184 -2.035 -11.285 1.00 0.00 H new ATOM 0 HE21 GLN A 78 -7.289 -1.947 -10.847 1.00 0.00 H new ATOM 0 HE22 GLN A 78 -8.454 -0.858 -11.608 1.00 0.00 H new ATOM 1281 N PHE A 79 -1.690 0.938 -10.035 1.00 0.00 N ATOM 1282 CA PHE A 79 -0.797 2.046 -9.714 1.00 0.00 C ATOM 1283 C PHE A 79 0.664 1.629 -9.853 1.00 0.00 C ATOM 1284 O PHE A 79 1.493 2.395 -10.347 1.00 0.00 O ATOM 1285 CB PHE A 79 -1.068 2.564 -8.296 1.00 0.00 C ATOM 1286 CG PHE A 79 -2.367 3.315 -8.157 1.00 0.00 C ATOM 1287 CD1 PHE A 79 -3.560 2.767 -8.607 1.00 0.00 C ATOM 1288 CD2 PHE A 79 -2.392 4.573 -7.575 1.00 0.00 C ATOM 1289 CE1 PHE A 79 -4.749 3.460 -8.478 1.00 0.00 C ATOM 1290 CE2 PHE A 79 -3.580 5.269 -7.444 1.00 0.00 C ATOM 1291 CZ PHE A 79 -4.759 4.711 -7.896 1.00 0.00 C ATOM 0 H PHE A 79 -2.259 0.612 -9.254 1.00 0.00 H new ATOM 0 HA PHE A 79 -0.992 2.850 -10.424 1.00 0.00 H new ATOM 0 HB2 PHE A 79 -1.072 1.720 -7.606 1.00 0.00 H new ATOM 0 HB3 PHE A 79 -0.248 3.217 -7.996 1.00 0.00 H new ATOM 0 HD1 PHE A 79 -3.559 1.788 -9.063 1.00 0.00 H new ATOM 0 HD2 PHE A 79 -1.473 5.015 -7.220 1.00 0.00 H new ATOM 0 HE1 PHE A 79 -5.670 3.022 -8.833 1.00 0.00 H new ATOM 0 HE2 PHE A 79 -3.585 6.248 -6.988 1.00 0.00 H new ATOM 0 HZ PHE A 79 -5.688 5.253 -7.794 1.00 0.00 H new ATOM 1301 N LEU A 80 0.975 0.414 -9.412 1.00 0.00 N ATOM 1302 CA LEU A 80 2.339 -0.102 -9.484 1.00 0.00 C ATOM 1303 C LEU A 80 2.788 -0.279 -10.935 1.00 0.00 C ATOM 1304 O LEU A 80 2.080 -0.890 -11.738 1.00 0.00 O ATOM 1305 CB LEU A 80 2.434 -1.441 -8.748 1.00 0.00 C ATOM 1306 CG LEU A 80 1.841 -1.454 -7.338 1.00 0.00 C ATOM 1307 CD1 LEU A 80 2.051 -2.809 -6.680 1.00 0.00 C ATOM 1308 CD2 LEU A 80 2.448 -0.349 -6.488 1.00 0.00 C ATOM 0 H LEU A 80 0.301 -0.232 -9.001 1.00 0.00 H new ATOM 0 HA LEU A 80 2.998 0.624 -9.007 1.00 0.00 H new ATOM 0 HB2 LEU A 80 1.929 -2.201 -9.344 1.00 0.00 H new ATOM 0 HB3 LEU A 80 3.483 -1.729 -8.686 1.00 0.00 H new ATOM 0 HG LEU A 80 0.769 -1.274 -7.419 1.00 0.00 H new ATOM 0 HD11 LEU A 80 1.622 -2.797 -5.678 1.00 0.00 H new ATOM 0 HD12 LEU A 80 1.563 -3.582 -7.274 1.00 0.00 H new ATOM 0 HD13 LEU A 80 3.118 -3.021 -6.615 1.00 0.00 H new ATOM 0 HD21 LEU A 80 2.012 -0.377 -5.489 1.00 0.00 H new ATOM 0 HD22 LEU A 80 3.526 -0.495 -6.417 1.00 0.00 H new ATOM 0 HD23 LEU A 80 2.242 0.618 -6.947 1.00 0.00 H new ATOM 1320 N PRO A 81 3.977 0.245 -11.294 1.00 0.00 N ATOM 1321 CA PRO A 81 4.511 0.127 -12.657 1.00 0.00 C ATOM 1322 C PRO A 81 4.881 -1.310 -13.006 1.00 0.00 C ATOM 1323 O PRO A 81 5.652 -1.953 -12.293 1.00 0.00 O ATOM 1324 CB PRO A 81 5.763 1.008 -12.626 1.00 0.00 C ATOM 1325 CG PRO A 81 6.171 1.038 -11.195 1.00 0.00 C ATOM 1326 CD PRO A 81 4.894 0.984 -10.404 1.00 0.00 C ATOM 0 HA PRO A 81 3.782 0.427 -13.410 1.00 0.00 H new ATOM 0 HB2 PRO A 81 6.553 0.595 -13.254 1.00 0.00 H new ATOM 0 HB3 PRO A 81 5.551 2.010 -12.998 1.00 0.00 H new ATOM 0 HG2 PRO A 81 6.816 0.193 -10.954 1.00 0.00 H new ATOM 0 HG3 PRO A 81 6.734 1.943 -10.968 1.00 0.00 H new ATOM 0 HD2 PRO A 81 5.031 0.471 -9.452 1.00 0.00 H new ATOM 0 HD3 PRO A 81 4.518 1.982 -10.177 1.00 0.00 H new ATOM 1334 N GLU A 82 4.327 -1.810 -14.107 1.00 0.00 N ATOM 1335 CA GLU A 82 4.601 -3.174 -14.548 1.00 0.00 C ATOM 1336 C GLU A 82 5.775 -3.203 -15.527 1.00 0.00 C ATOM 1337 O GLU A 82 5.725 -3.878 -16.556 1.00 0.00 O ATOM 1338 CB GLU A 82 3.351 -3.779 -15.194 1.00 0.00 C ATOM 1339 CG GLU A 82 3.452 -5.276 -15.457 1.00 0.00 C ATOM 1340 CD GLU A 82 3.594 -6.091 -14.183 1.00 0.00 C ATOM 1341 OE1 GLU A 82 4.600 -5.909 -13.467 1.00 0.00 O ATOM 1342 OE2 GLU A 82 2.696 -6.913 -13.904 1.00 0.00 O ATOM 0 H GLU A 82 3.687 -1.292 -14.709 1.00 0.00 H new ATOM 0 HA GLU A 82 4.872 -3.771 -13.677 1.00 0.00 H new ATOM 0 HB2 GLU A 82 2.494 -3.591 -14.548 1.00 0.00 H new ATOM 0 HB3 GLU A 82 3.158 -3.267 -16.137 1.00 0.00 H new ATOM 0 HG2 GLU A 82 2.564 -5.606 -15.996 1.00 0.00 H new ATOM 0 HG3 GLU A 82 4.308 -5.469 -16.104 1.00 0.00 H new ATOM 1349 N ALA A 83 6.833 -2.465 -15.200 1.00 0.00 N ATOM 1350 CA ALA A 83 8.018 -2.408 -16.051 1.00 0.00 C ATOM 1351 C ALA A 83 9.143 -1.622 -15.386 1.00 0.00 C ATOM 1352 O ALA A 83 8.925 -0.530 -14.859 1.00 0.00 O ATOM 1353 CB ALA A 83 7.674 -1.789 -17.398 1.00 0.00 C ATOM 0 H ALA A 83 6.894 -1.899 -14.353 1.00 0.00 H new ATOM 0 HA ALA A 83 8.365 -3.430 -16.206 1.00 0.00 H new ATOM 0 HB1 ALA A 83 8.568 -1.753 -18.021 1.00 0.00 H new ATOM 0 HB2 ALA A 83 6.911 -2.392 -17.891 1.00 0.00 H new ATOM 0 HB3 ALA A 83 7.296 -0.778 -17.248 1.00 0.00 H new ATOM 1359 N LYS A 84 10.347 -2.185 -15.419 1.00 0.00 N ATOM 1360 CA LYS A 84 11.514 -1.540 -14.829 1.00 0.00 C ATOM 1361 C LYS A 84 11.994 -0.385 -15.710 1.00 0.00 C ATOM 1362 O LYS A 84 11.206 0.483 -16.085 1.00 0.00 O ATOM 1363 CB LYS A 84 12.635 -2.563 -14.624 1.00 0.00 C ATOM 1364 CG LYS A 84 12.241 -3.729 -13.730 1.00 0.00 C ATOM 1365 CD LYS A 84 13.382 -4.723 -13.567 1.00 0.00 C ATOM 1366 CE LYS A 84 14.595 -4.085 -12.906 1.00 0.00 C ATOM 1367 NZ LYS A 84 15.707 -5.061 -12.732 1.00 0.00 N ATOM 0 H LYS A 84 10.540 -3.089 -15.850 1.00 0.00 H new ATOM 0 HA LYS A 84 11.233 -1.132 -13.858 1.00 0.00 H new ATOM 0 HB2 LYS A 84 12.945 -2.949 -15.595 1.00 0.00 H new ATOM 0 HB3 LYS A 84 13.499 -2.060 -14.191 1.00 0.00 H new ATOM 0 HG2 LYS A 84 11.943 -3.353 -12.751 1.00 0.00 H new ATOM 0 HG3 LYS A 84 11.374 -4.236 -14.154 1.00 0.00 H new ATOM 0 HD2 LYS A 84 13.045 -5.569 -12.968 1.00 0.00 H new ATOM 0 HD3 LYS A 84 13.665 -5.116 -14.544 1.00 0.00 H new ATOM 0 HE2 LYS A 84 14.939 -3.246 -13.511 1.00 0.00 H new ATOM 0 HE3 LYS A 84 14.310 -3.682 -11.934 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 16.515 -4.589 -12.279 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 15.387 -5.849 -12.134 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 15.997 -5.427 -13.662 1.00 0.00 H new ATOM 1381 N ARG A 85 13.287 -0.377 -16.039 1.00 0.00 N ATOM 1382 CA ARG A 85 13.857 0.673 -16.877 1.00 0.00 C ATOM 1383 C ARG A 85 13.119 0.766 -18.210 1.00 0.00 C ATOM 1384 O ARG A 85 13.021 -0.267 -18.905 1.00 0.00 O ATOM 1385 CB ARG A 85 15.342 0.406 -17.126 1.00 0.00 C ATOM 1386 CG ARG A 85 16.001 1.439 -18.026 1.00 0.00 C ATOM 1387 CD ARG A 85 17.453 1.090 -18.310 1.00 0.00 C ATOM 1388 NE ARG A 85 18.095 2.088 -19.160 1.00 0.00 N ATOM 1389 CZ ARG A 85 19.359 2.011 -19.565 1.00 0.00 C ATOM 1390 NH1 ARG A 85 20.113 0.981 -19.206 1.00 0.00 N ATOM 1391 NH2 ARG A 85 19.869 2.965 -20.331 1.00 0.00 N ATOM 1392 OXT ARG A 85 12.644 1.871 -18.548 1.00 0.00 O ATOM 0 H ARG A 85 13.956 -1.085 -15.737 1.00 0.00 H new ATOM 0 HA ARG A 85 13.747 1.621 -16.351 1.00 0.00 H new ATOM 0 HB2 ARG A 85 15.864 0.383 -16.170 1.00 0.00 H new ATOM 0 HB3 ARG A 85 15.455 -0.581 -17.575 1.00 0.00 H new ATOM 0 HG2 ARG A 85 15.452 1.507 -18.965 1.00 0.00 H new ATOM 0 HG3 ARG A 85 15.948 2.420 -17.554 1.00 0.00 H new ATOM 0 HD2 ARG A 85 17.998 1.009 -17.369 1.00 0.00 H new ATOM 0 HD3 ARG A 85 17.504 0.114 -18.793 1.00 0.00 H new ATOM 0 HE ARG A 85 17.542 2.891 -19.461 1.00 0.00 H new ATOM 0 HH11 ARG A 85 19.724 0.245 -18.617 1.00 0.00 H new ATOM 0 HH12 ARG A 85 21.082 0.925 -19.519 1.00 0.00 H new ATOM 0 HH21 ARG A 85 19.292 3.758 -20.610 1.00 0.00 H new ATOM 0 HH22 ARG A 85 20.839 2.906 -20.642 1.00 0.00 H new TER 1406 ARG A 85 ATOM 1407 N ASN B 1 3.465 7.014 -6.636 1.00 0.00 N ATOM 1408 CA ASN B 1 2.168 6.288 -6.612 1.00 0.00 C ATOM 1409 C ASN B 1 1.847 5.782 -5.210 1.00 0.00 C ATOM 1410 O ASN B 1 0.730 5.951 -4.717 1.00 0.00 O ATOM 1411 CB ASN B 1 2.251 5.115 -7.589 1.00 0.00 C ATOM 1412 CG ASN B 1 2.576 5.560 -9.001 1.00 0.00 C ATOM 1413 OD1 ASN B 1 1.830 6.328 -9.610 1.00 0.00 O ATOM 1414 ND2 ASN B 1 3.694 5.078 -9.531 1.00 0.00 N ATOM 0 H1 ASN B 1 3.556 7.532 -7.533 1.00 0.00 H new ATOM 0 H2 ASN B 1 3.501 7.686 -5.843 1.00 0.00 H new ATOM 0 H3 ASN B 1 4.246 6.333 -6.549 1.00 0.00 H new ATOM 0 HA ASN B 1 1.369 6.969 -6.907 1.00 0.00 H new ATOM 0 HB2 ASN B 1 3.013 4.415 -7.247 1.00 0.00 H new ATOM 0 HB3 ASN B 1 1.302 4.578 -7.590 1.00 0.00 H new ATOM 0 HD21 ASN B 1 3.964 5.342 -10.479 1.00 0.00 H new ATOM 0 HD22 ASN B 1 4.283 4.444 -8.991 1.00 0.00 H new ATOM 1423 N ILE B 2 2.833 5.161 -4.577 1.00 0.00 N ATOM 1424 CA ILE B 2 2.669 4.623 -3.232 1.00 0.00 C ATOM 1425 C ILE B 2 2.491 5.736 -2.204 1.00 0.00 C ATOM 1426 O ILE B 2 1.744 5.584 -1.241 1.00 0.00 O ATOM 1427 CB ILE B 2 3.869 3.741 -2.827 1.00 0.00 C ATOM 1428 CG1 ILE B 2 3.983 2.535 -3.766 1.00 0.00 C ATOM 1429 CG2 ILE B 2 3.738 3.287 -1.378 1.00 0.00 C ATOM 1430 CD1 ILE B 2 2.762 1.637 -3.761 1.00 0.00 C ATOM 0 H ILE B 2 3.761 5.016 -4.976 1.00 0.00 H new ATOM 0 HA ILE B 2 1.768 4.009 -3.248 1.00 0.00 H new ATOM 0 HB ILE B 2 4.780 4.333 -2.914 1.00 0.00 H new ATOM 0 HG12 ILE B 2 4.155 2.892 -4.781 1.00 0.00 H new ATOM 0 HG13 ILE B 2 4.856 1.947 -3.482 1.00 0.00 H new ATOM 0 HG21 ILE B 2 4.594 2.666 -1.112 1.00 0.00 H new ATOM 0 HG22 ILE B 2 3.705 4.159 -0.725 1.00 0.00 H new ATOM 0 HG23 ILE B 2 2.821 2.710 -1.259 1.00 0.00 H new ATOM 0 HD11 ILE B 2 2.918 0.807 -4.450 1.00 0.00 H new ATOM 0 HD12 ILE B 2 2.600 1.249 -2.755 1.00 0.00 H new ATOM 0 HD13 ILE B 2 1.889 2.209 -4.074 1.00 0.00 H new ATOM 1442 N GLN B 3 3.184 6.853 -2.413 1.00 0.00 N ATOM 1443 CA GLN B 3 3.102 7.988 -1.502 1.00 0.00 C ATOM 1444 C GLN B 3 1.650 8.393 -1.272 1.00 0.00 C ATOM 1445 O GLN B 3 1.277 8.804 -0.175 1.00 0.00 O ATOM 1446 CB GLN B 3 3.909 9.170 -2.056 1.00 0.00 C ATOM 1447 CG GLN B 3 3.941 10.386 -1.138 1.00 0.00 C ATOM 1448 CD GLN B 3 2.700 11.259 -1.240 1.00 0.00 C ATOM 1449 OE1 GLN B 3 1.857 10.996 -2.233 1.00 0.00 O flip ATOM 1450 NE2 GLN B 3 2.511 12.176 -0.440 1.00 0.00 N flip ATOM 0 H GLN B 3 3.809 6.995 -3.207 1.00 0.00 H new ATOM 0 HA GLN B 3 3.527 7.693 -0.543 1.00 0.00 H new ATOM 0 HB2 GLN B 3 4.932 8.842 -2.243 1.00 0.00 H new ATOM 0 HB3 GLN B 3 3.488 9.465 -3.017 1.00 0.00 H new ATOM 0 HG2 GLN B 3 4.055 10.050 -0.107 1.00 0.00 H new ATOM 0 HG3 GLN B 3 4.818 10.987 -1.376 1.00 0.00 H new ATOM 0 HE21 GLN B 3 3.182 12.346 0.309 1.00 0.00 H new ATOM 0 HE22 GLN B 3 1.683 12.766 -0.526 1.00 0.00 H new ATOM 1459 N MET B 4 0.837 8.282 -2.318 1.00 0.00 N ATOM 1460 CA MET B 4 -0.573 8.641 -2.234 1.00 0.00 C ATOM 1461 C MET B 4 -1.329 7.722 -1.278 1.00 0.00 C ATOM 1462 O MET B 4 -2.088 8.193 -0.433 1.00 0.00 O ATOM 1463 CB MET B 4 -1.212 8.601 -3.622 1.00 0.00 C ATOM 1464 CG MET B 4 -0.613 9.610 -4.587 1.00 0.00 C ATOM 1465 SD MET B 4 -1.383 9.564 -6.214 1.00 0.00 S ATOM 1466 CE MET B 4 -0.473 10.862 -7.048 1.00 0.00 C ATOM 0 H MET B 4 1.132 7.946 -3.235 1.00 0.00 H new ATOM 0 HA MET B 4 -0.636 9.655 -1.840 1.00 0.00 H new ATOM 0 HB2 MET B 4 -1.100 7.600 -4.038 1.00 0.00 H new ATOM 0 HB3 MET B 4 -2.282 8.789 -3.528 1.00 0.00 H new ATOM 0 HG2 MET B 4 -0.717 10.611 -4.169 1.00 0.00 H new ATOM 0 HG3 MET B 4 0.455 9.417 -4.690 1.00 0.00 H new ATOM 0 HE1 MET B 4 -1.150 11.679 -7.297 1.00 0.00 H new ATOM 0 HE2 MET B 4 0.316 11.232 -6.393 1.00 0.00 H new ATOM 0 HE3 MET B 4 -0.030 10.466 -7.962 1.00 0.00 H new ATOM 1476 N LEU B 5 -1.124 6.413 -1.414 1.00 0.00 N ATOM 1477 CA LEU B 5 -1.797 5.444 -0.550 1.00 0.00 C ATOM 1478 C LEU B 5 -1.260 5.519 0.876 1.00 0.00 C ATOM 1479 O LEU B 5 -2.025 5.540 1.840 1.00 0.00 O ATOM 1480 CB LEU B 5 -1.632 4.023 -1.102 1.00 0.00 C ATOM 1481 CG LEU B 5 -2.229 3.795 -2.494 1.00 0.00 C ATOM 1482 CD1 LEU B 5 -2.065 2.344 -2.915 1.00 0.00 C ATOM 1483 CD2 LEU B 5 -3.698 4.191 -2.521 1.00 0.00 C ATOM 0 H LEU B 5 -0.502 6.001 -2.109 1.00 0.00 H new ATOM 0 HA LEU B 5 -2.858 5.692 -0.531 1.00 0.00 H new ATOM 0 HB2 LEU B 5 -0.569 3.784 -1.136 1.00 0.00 H new ATOM 0 HB3 LEU B 5 -2.094 3.323 -0.406 1.00 0.00 H new ATOM 0 HG LEU B 5 -1.690 4.424 -3.202 1.00 0.00 H new ATOM 0 HD11 LEU B 5 -2.495 2.202 -3.906 1.00 0.00 H new ATOM 0 HD12 LEU B 5 -1.005 2.090 -2.939 1.00 0.00 H new ATOM 0 HD13 LEU B 5 -2.577 1.698 -2.201 1.00 0.00 H new ATOM 0 HD21 LEU B 5 -4.102 4.021 -3.519 1.00 0.00 H new ATOM 0 HD22 LEU B 5 -4.250 3.590 -1.799 1.00 0.00 H new ATOM 0 HD23 LEU B 5 -3.795 5.246 -2.265 1.00 0.00 H new ATOM 1495 N LEU B 6 0.061 5.571 0.996 1.00 0.00 N ATOM 1496 CA LEU B 6 0.718 5.657 2.295 1.00 0.00 C ATOM 1497 C LEU B 6 0.227 6.885 3.057 1.00 0.00 C ATOM 1498 O LEU B 6 -0.073 6.813 4.249 1.00 0.00 O ATOM 1499 CB LEU B 6 2.235 5.728 2.096 1.00 0.00 C ATOM 1500 CG LEU B 6 3.071 5.836 3.374 1.00 0.00 C ATOM 1501 CD1 LEU B 6 2.961 4.570 4.206 1.00 0.00 C ATOM 1502 CD2 LEU B 6 4.523 6.115 3.027 1.00 0.00 C ATOM 0 H LEU B 6 0.703 5.555 0.203 1.00 0.00 H new ATOM 0 HA LEU B 6 0.474 4.770 2.879 1.00 0.00 H new ATOM 0 HB2 LEU B 6 2.553 4.839 1.551 1.00 0.00 H new ATOM 0 HB3 LEU B 6 2.460 6.587 1.464 1.00 0.00 H new ATOM 0 HG LEU B 6 2.683 6.664 3.967 1.00 0.00 H new ATOM 0 HD11 LEU B 6 3.564 4.674 5.108 1.00 0.00 H new ATOM 0 HD12 LEU B 6 1.920 4.406 4.483 1.00 0.00 H new ATOM 0 HD13 LEU B 6 3.320 3.720 3.625 1.00 0.00 H new ATOM 0 HD21 LEU B 6 5.108 6.190 3.944 1.00 0.00 H new ATOM 0 HD22 LEU B 6 4.913 5.303 2.413 1.00 0.00 H new ATOM 0 HD23 LEU B 6 4.592 7.053 2.475 1.00 0.00 H new ATOM 1514 N GLU B 7 0.142 8.006 2.348 1.00 0.00 N ATOM 1515 CA GLU B 7 -0.319 9.261 2.935 1.00 0.00 C ATOM 1516 C GLU B 7 -1.824 9.219 3.191 1.00 0.00 C ATOM 1517 O GLU B 7 -2.307 9.730 4.201 1.00 0.00 O ATOM 1518 CB GLU B 7 0.026 10.428 2.007 1.00 0.00 C ATOM 1519 CG GLU B 7 -0.363 11.789 2.563 1.00 0.00 C ATOM 1520 CD GLU B 7 0.340 12.110 3.867 1.00 0.00 C ATOM 1521 OE1 GLU B 7 1.590 12.137 3.876 1.00 0.00 O ATOM 1522 OE2 GLU B 7 -0.356 12.336 4.878 1.00 0.00 O ATOM 0 H GLU B 7 0.388 8.072 1.360 1.00 0.00 H new ATOM 0 HA GLU B 7 0.186 9.402 3.891 1.00 0.00 H new ATOM 0 HB2 GLU B 7 1.098 10.419 1.810 1.00 0.00 H new ATOM 0 HB3 GLU B 7 -0.475 10.280 1.050 1.00 0.00 H new ATOM 0 HG2 GLU B 7 -0.126 12.558 1.828 1.00 0.00 H new ATOM 0 HG3 GLU B 7 -1.441 11.819 2.719 1.00 0.00 H new ATOM 1529 N ALA B 8 -2.556 8.606 2.265 1.00 0.00 N ATOM 1530 CA ALA B 8 -4.008 8.487 2.374 1.00 0.00 C ATOM 1531 C ALA B 8 -4.409 7.804 3.676 1.00 0.00 C ATOM 1532 O ALA B 8 -5.363 8.215 4.335 1.00 0.00 O ATOM 1533 CB ALA B 8 -4.559 7.714 1.186 1.00 0.00 C ATOM 0 H ALA B 8 -2.164 8.181 1.425 1.00 0.00 H new ATOM 0 HA ALA B 8 -4.431 9.492 2.376 1.00 0.00 H new ATOM 0 HB1 ALA B 8 -5.642 7.631 1.277 1.00 0.00 H new ATOM 0 HB2 ALA B 8 -4.311 8.239 0.264 1.00 0.00 H new ATOM 0 HB3 ALA B 8 -4.119 6.717 1.165 1.00 0.00 H new ATOM 1539 N ALA B 9 -3.673 6.758 4.036 1.00 0.00 N ATOM 1540 CA ALA B 9 -3.948 6.013 5.257 1.00 0.00 C ATOM 1541 C ALA B 9 -3.962 6.937 6.468 1.00 0.00 C ATOM 1542 O ALA B 9 -4.835 6.835 7.330 1.00 0.00 O ATOM 1543 CB ALA B 9 -2.917 4.913 5.443 1.00 0.00 C ATOM 0 H ALA B 9 -2.881 6.407 3.498 1.00 0.00 H new ATOM 0 HA ALA B 9 -4.935 5.560 5.166 1.00 0.00 H new ATOM 0 HB1 ALA B 9 -3.133 4.363 6.359 1.00 0.00 H new ATOM 0 HB2 ALA B 9 -2.955 4.232 4.593 1.00 0.00 H new ATOM 0 HB3 ALA B 9 -1.923 5.354 5.511 1.00 0.00 H new ATOM 1549 N ASP B 10 -2.993 7.846 6.522 1.00 0.00 N ATOM 1550 CA ASP B 10 -2.897 8.798 7.622 1.00 0.00 C ATOM 1551 C ASP B 10 -4.115 9.715 7.640 1.00 0.00 C ATOM 1552 O ASP B 10 -4.623 10.071 8.702 1.00 0.00 O ATOM 1553 CB ASP B 10 -1.617 9.627 7.498 1.00 0.00 C ATOM 1554 CG ASP B 10 -1.465 10.629 8.626 1.00 0.00 C ATOM 1555 OD1 ASP B 10 -1.419 10.201 9.798 1.00 0.00 O ATOM 1556 OD2 ASP B 10 -1.388 11.842 8.336 1.00 0.00 O ATOM 0 H ASP B 10 -2.263 7.943 5.816 1.00 0.00 H new ATOM 0 HA ASP B 10 -2.865 8.241 8.558 1.00 0.00 H new ATOM 0 HB2 ASP B 10 -0.755 8.960 7.490 1.00 0.00 H new ATOM 0 HB3 ASP B 10 -1.621 10.155 6.545 1.00 0.00 H new ATOM 1561 N TYR B 11 -4.575 10.094 6.450 1.00 0.00 N ATOM 1562 CA TYR B 11 -5.733 10.969 6.314 1.00 0.00 C ATOM 1563 C TYR B 11 -6.956 10.372 7.006 1.00 0.00 C ATOM 1564 O TYR B 11 -7.565 11.007 7.867 1.00 0.00 O ATOM 1565 CB TYR B 11 -6.042 11.204 4.836 1.00 0.00 C ATOM 1566 CG TYR B 11 -7.296 12.013 4.596 1.00 0.00 C ATOM 1567 CD1 TYR B 11 -7.429 13.298 5.106 1.00 0.00 C ATOM 1568 CD2 TYR B 11 -8.349 11.486 3.859 1.00 0.00 C ATOM 1569 CE1 TYR B 11 -8.576 14.036 4.888 1.00 0.00 C ATOM 1570 CE2 TYR B 11 -9.498 12.219 3.636 1.00 0.00 C ATOM 1571 CZ TYR B 11 -9.606 13.493 4.151 1.00 0.00 C ATOM 1572 OH TYR B 11 -10.750 14.227 3.931 1.00 0.00 O ATOM 0 H TYR B 11 -4.160 9.807 5.564 1.00 0.00 H new ATOM 0 HA TYR B 11 -5.496 11.920 6.792 1.00 0.00 H new ATOM 0 HB2 TYR B 11 -5.197 11.715 4.375 1.00 0.00 H new ATOM 0 HB3 TYR B 11 -6.142 10.240 4.338 1.00 0.00 H new ATOM 0 HD1 TYR B 11 -6.623 13.727 5.682 1.00 0.00 H new ATOM 0 HD2 TYR B 11 -8.268 10.488 3.454 1.00 0.00 H new ATOM 0 HE1 TYR B 11 -8.665 15.033 5.293 1.00 0.00 H new ATOM 0 HE2 TYR B 11 -10.308 11.796 3.061 1.00 0.00 H new ATOM 0 HH TYR B 11 -11.378 13.701 3.393 1.00 0.00 H new ATOM 1582 N LEU B 12 -7.307 9.148 6.625 1.00 0.00 N ATOM 1583 CA LEU B 12 -8.455 8.467 7.211 1.00 0.00 C ATOM 1584 C LEU B 12 -8.221 8.205 8.696 1.00 0.00 C ATOM 1585 O LEU B 12 -9.069 8.514 9.534 1.00 0.00 O ATOM 1586 CB LEU B 12 -8.725 7.146 6.482 1.00 0.00 C ATOM 1587 CG LEU B 12 -9.141 7.280 5.013 1.00 0.00 C ATOM 1588 CD1 LEU B 12 -9.276 5.908 4.371 1.00 0.00 C ATOM 1589 CD2 LEU B 12 -10.448 8.052 4.895 1.00 0.00 C ATOM 0 H LEU B 12 -6.813 8.608 5.914 1.00 0.00 H new ATOM 0 HA LEU B 12 -9.327 9.113 7.102 1.00 0.00 H new ATOM 0 HB2 LEU B 12 -7.826 6.532 6.533 1.00 0.00 H new ATOM 0 HB3 LEU B 12 -9.509 6.609 7.017 1.00 0.00 H new ATOM 0 HG LEU B 12 -8.365 7.834 4.486 1.00 0.00 H new ATOM 0 HD11 LEU B 12 -9.572 6.022 3.328 1.00 0.00 H new ATOM 0 HD12 LEU B 12 -8.320 5.387 4.422 1.00 0.00 H new ATOM 0 HD13 LEU B 12 -10.033 5.331 4.902 1.00 0.00 H new ATOM 0 HD21 LEU B 12 -10.727 8.137 3.845 1.00 0.00 H new ATOM 0 HD22 LEU B 12 -11.233 7.524 5.437 1.00 0.00 H new ATOM 0 HD23 LEU B 12 -10.322 9.048 5.318 1.00 0.00 H new ATOM 1601 N GLU B 13 -7.056 7.642 9.008 1.00 0.00 N ATOM 1602 CA GLU B 13 -6.682 7.335 10.386 1.00 0.00 C ATOM 1603 C GLU B 13 -7.759 6.503 11.078 1.00 0.00 C ATOM 1604 O GLU B 13 -8.624 7.098 11.753 1.00 0.00 O ATOM 1605 CB GLU B 13 -6.426 8.626 11.166 1.00 0.00 C ATOM 1606 CG GLU B 13 -5.940 8.394 12.588 1.00 0.00 C ATOM 1607 CD GLU B 13 -4.631 7.629 12.639 1.00 0.00 C ATOM 1608 OE1 GLU B 13 -3.632 8.122 12.074 1.00 0.00 O ATOM 1609 OE2 GLU B 13 -4.606 6.537 13.245 1.00 0.00 O ATOM 1610 OXT GLU B 13 -7.726 5.263 10.939 1.00 0.00 O ATOM 0 H GLU B 13 -6.349 7.387 8.318 1.00 0.00 H new ATOM 0 HA GLU B 13 -5.765 6.747 10.363 1.00 0.00 H new ATOM 0 HB2 GLU B 13 -5.687 9.223 10.631 1.00 0.00 H new ATOM 0 HB3 GLU B 13 -7.346 9.210 11.196 1.00 0.00 H new ATOM 0 HG2 GLU B 13 -5.815 9.355 13.087 1.00 0.00 H new ATOM 0 HG3 GLU B 13 -6.700 7.844 13.143 1.00 0.00 H new TER 1617 GLU B 13