USER MOD reduce.3.24.130724 H: found=0, std=0, add=795, rem=0, adj=23 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 18 LYS NZ :NH3+ 161:sc= -5.75! (180deg=-6.46!) USER MOD Set 1.2: A 28 TYR OH : rot 180:sc=-0.00258 USER MOD Single : A 1 GLU N :NH3+ -172:sc= -0.187 (180deg=-0.359) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 4 SER OG : rot 180:sc= 0.231 USER MOD Single : A 8 ASN : amide:sc= -5.06! C(o=-5.1!,f=-7.2!) USER MOD Single : A 9 ASN : amide:sc= -0.0996 X(o=-0.1,f=-0.026) USER MOD Single : A 12 SER OG : rot 68:sc= 0.253 USER MOD Single : A 13 TYR OH : rot 37:sc= -2.25! USER MOD Single : A 15 ASN : amide:sc= -0.0414 K(o=-0.041,f=-1) USER MOD Single : A 16 LYS NZ :NH3+ 160:sc= 0.0775 (180deg=0.0173) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 30 SER OG : rot 66:sc= 1.25 USER MOD Single : A 36 HIS : no HD1:sc= -0.604 X(o=-0.6,f=-0.79) USER MOD Single : A 37 THR OG1 : rot 90:sc= 1.25 USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 GLN : amide:sc= -6.36! C(o=-6.4!,f=-5.6!) USER MOD Single : A 40 LYS NZ :NH3+ -126:sc= -4.14! (180deg=-4.57!) USER MOD Single : A 42 GLN : amide:sc= -7.39! K(o=-7.4!,f=-0.92) USER MOD Single : A 44 HIS : no HD1:sc= -1.97 K(o=-2,f=-0.88) USER MOD Single : A 45 THR OG1 : rot 26:sc= 0.0539 USER MOD Single : A 46 LYS NZ :NH3+ -166:sc= -0.03 (180deg=-0.264) USER MOD Single : A 53 MET CE :methyl -141:sc= -1.42 (180deg=-3.52!) USER MOD Single : A 54 SER OG : rot 180:sc= 0.283 USER MOD Single : A 60 THR OG1 : rot 75:sc= 1.2 USER MOD Single : A 64 ASN : amide:sc= -5.23! K(o=-5.2!,f=-1.7) USER MOD Single : A 69 GLN : amide:sc= 0.0907 K(o=0.091,f=-0.46) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 78 GLN : amide:sc= -0.88 K(o=-0.88,f=-3.2!) USER MOD Single : A 84 LYS NZ :NH3+ 169:sc= -0.02 (180deg=-0.18) USER MOD Single : B 1 ASN : amide:sc= 0.305 K(o=0.3,f=-3.2!) USER MOD Single : B 1 ASN N :NH3+ 137:sc= 0.42 (180deg=0.264) USER MOD Single : B 3 GLN : amide:sc= -7.47! C(o=-7.5!,f=-4!) USER MOD Single : B 4 MET CE :methyl -161:sc= -0.102 (180deg=-0.585) USER MOD Single : B 11 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 1 -4.982 24.637 -1.810 1.00 0.00 N ATOM 2 CA GLU A 1 -4.062 23.969 -0.854 1.00 0.00 C ATOM 3 C GLU A 1 -3.899 22.489 -1.188 1.00 0.00 C ATOM 4 O GLU A 1 -3.933 21.636 -0.299 1.00 0.00 O ATOM 5 CB GLU A 1 -4.624 24.135 0.560 1.00 0.00 C ATOM 6 CG GLU A 1 -4.780 25.585 0.987 1.00 0.00 C ATOM 7 CD GLU A 1 -3.470 26.346 0.956 1.00 0.00 C ATOM 8 OE1 GLU A 1 -2.533 25.945 1.678 1.00 0.00 O ATOM 9 OE2 GLU A 1 -3.380 27.344 0.209 1.00 0.00 O ATOM 0 H1 GLU A 1 -4.969 25.664 -1.644 1.00 0.00 H new ATOM 0 H2 GLU A 1 -4.674 24.440 -2.784 1.00 0.00 H new ATOM 0 H3 GLU A 1 -5.948 24.276 -1.672 1.00 0.00 H new ATOM 0 HA GLU A 1 -3.077 24.430 -0.923 1.00 0.00 H new ATOM 0 HB2 GLU A 1 -5.595 23.642 0.616 1.00 0.00 H new ATOM 0 HB3 GLU A 1 -3.967 23.626 1.265 1.00 0.00 H new ATOM 0 HG2 GLU A 1 -5.498 26.078 0.331 1.00 0.00 H new ATOM 0 HG3 GLU A 1 -5.193 25.621 1.995 1.00 0.00 H new ATOM 18 N SER A 2 -3.720 22.197 -2.476 1.00 0.00 N ATOM 19 CA SER A 2 -3.546 20.825 -2.948 1.00 0.00 C ATOM 20 C SER A 2 -4.802 19.988 -2.702 1.00 0.00 C ATOM 21 O SER A 2 -5.340 19.965 -1.595 1.00 0.00 O ATOM 22 CB SER A 2 -2.340 20.172 -2.267 1.00 0.00 C ATOM 23 OG SER A 2 -1.150 20.892 -2.537 1.00 0.00 O ATOM 0 H SER A 2 -3.692 22.899 -3.216 1.00 0.00 H new ATOM 0 HA SER A 2 -3.369 20.865 -4.023 1.00 0.00 H new ATOM 0 HB2 SER A 2 -2.506 20.128 -1.191 1.00 0.00 H new ATOM 0 HB3 SER A 2 -2.234 19.145 -2.615 1.00 0.00 H new ATOM 0 HG SER A 2 -0.395 20.456 -2.090 1.00 0.00 H new ATOM 29 N ASP A 3 -5.260 19.297 -3.745 1.00 0.00 N ATOM 30 CA ASP A 3 -6.451 18.454 -3.650 1.00 0.00 C ATOM 31 C ASP A 3 -6.684 17.707 -4.962 1.00 0.00 C ATOM 32 O ASP A 3 -7.808 17.641 -5.462 1.00 0.00 O ATOM 33 CB ASP A 3 -7.679 19.304 -3.305 1.00 0.00 C ATOM 34 CG ASP A 3 -8.910 18.467 -3.011 1.00 0.00 C ATOM 35 OD1 ASP A 3 -8.809 17.222 -3.052 1.00 0.00 O ATOM 36 OD2 ASP A 3 -9.976 19.057 -2.737 1.00 0.00 O ATOM 0 H ASP A 3 -4.824 19.304 -4.667 1.00 0.00 H new ATOM 0 HA ASP A 3 -6.293 17.724 -2.856 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -7.453 19.926 -2.439 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -7.893 19.978 -4.134 1.00 0.00 H new ATOM 41 N SER A 4 -5.613 17.154 -5.520 1.00 0.00 N ATOM 42 CA SER A 4 -5.694 16.422 -6.775 1.00 0.00 C ATOM 43 C SER A 4 -6.558 15.183 -6.669 1.00 0.00 C ATOM 44 O SER A 4 -6.617 14.523 -5.631 1.00 0.00 O ATOM 45 CB SER A 4 -4.306 16.021 -7.263 1.00 0.00 C ATOM 46 OG SER A 4 -4.382 14.947 -8.185 1.00 0.00 O ATOM 0 H SER A 4 -4.676 17.200 -5.120 1.00 0.00 H new ATOM 0 HA SER A 4 -6.157 17.099 -7.493 1.00 0.00 H new ATOM 0 HB2 SER A 4 -3.821 16.876 -7.734 1.00 0.00 H new ATOM 0 HB3 SER A 4 -3.687 15.732 -6.413 1.00 0.00 H new ATOM 0 HG SER A 4 -3.480 14.709 -8.485 1.00 0.00 H new ATOM 52 N VAL A 5 -7.200 14.870 -7.779 1.00 0.00 N ATOM 53 CA VAL A 5 -8.050 13.700 -7.885 1.00 0.00 C ATOM 54 C VAL A 5 -7.270 12.449 -7.530 1.00 0.00 C ATOM 55 O VAL A 5 -7.804 11.530 -6.922 1.00 0.00 O ATOM 56 CB VAL A 5 -8.591 13.557 -9.317 1.00 0.00 C ATOM 57 CG1 VAL A 5 -9.321 12.231 -9.504 1.00 0.00 C ATOM 58 CG2 VAL A 5 -9.497 14.728 -9.657 1.00 0.00 C ATOM 0 H VAL A 5 -7.146 15.422 -8.635 1.00 0.00 H new ATOM 0 HA VAL A 5 -8.882 13.823 -7.191 1.00 0.00 H new ATOM 0 HB VAL A 5 -7.744 13.564 -10.003 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -9.691 12.161 -10.527 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -8.634 11.407 -9.309 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -10.160 12.176 -8.810 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -9.873 14.614 -10.674 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -10.335 14.754 -8.961 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -8.934 15.658 -9.581 1.00 0.00 H new ATOM 68 N GLU A 6 -6.001 12.428 -7.917 1.00 0.00 N ATOM 69 CA GLU A 6 -5.138 11.291 -7.636 1.00 0.00 C ATOM 70 C GLU A 6 -5.105 11.017 -6.139 1.00 0.00 C ATOM 71 O GLU A 6 -5.088 9.865 -5.707 1.00 0.00 O ATOM 72 CB GLU A 6 -3.726 11.552 -8.158 1.00 0.00 C ATOM 73 CG GLU A 6 -3.679 11.862 -9.646 1.00 0.00 C ATOM 74 CD GLU A 6 -2.270 12.116 -10.143 1.00 0.00 C ATOM 75 OE1 GLU A 6 -1.625 13.062 -9.643 1.00 0.00 O ATOM 76 OE2 GLU A 6 -1.810 11.369 -11.032 1.00 0.00 O ATOM 0 H GLU A 6 -5.548 13.186 -8.427 1.00 0.00 H new ATOM 0 HA GLU A 6 -5.538 10.414 -8.145 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -3.291 12.386 -7.607 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -3.105 10.679 -7.957 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -4.112 11.030 -10.201 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -4.296 12.737 -9.851 1.00 0.00 H new ATOM 83 N PHE A 7 -5.105 12.089 -5.354 1.00 0.00 N ATOM 84 CA PHE A 7 -5.082 11.976 -3.903 1.00 0.00 C ATOM 85 C PHE A 7 -6.365 11.328 -3.390 1.00 0.00 C ATOM 86 O PHE A 7 -6.320 10.352 -2.642 1.00 0.00 O ATOM 87 CB PHE A 7 -4.912 13.357 -3.264 1.00 0.00 C ATOM 88 CG PHE A 7 -4.775 13.315 -1.767 1.00 0.00 C ATOM 89 CD1 PHE A 7 -3.932 12.398 -1.157 1.00 0.00 C ATOM 90 CD2 PHE A 7 -5.491 14.194 -0.969 1.00 0.00 C ATOM 91 CE1 PHE A 7 -3.807 12.359 0.219 1.00 0.00 C ATOM 92 CE2 PHE A 7 -5.370 14.159 0.407 1.00 0.00 C ATOM 93 CZ PHE A 7 -4.526 13.241 1.003 1.00 0.00 C ATOM 0 H PHE A 7 -5.121 13.048 -5.701 1.00 0.00 H new ATOM 0 HA PHE A 7 -4.236 11.346 -3.627 1.00 0.00 H new ATOM 0 HB2 PHE A 7 -4.031 13.838 -3.688 1.00 0.00 H new ATOM 0 HB3 PHE A 7 -5.770 13.977 -3.525 1.00 0.00 H new ATOM 0 HD1 PHE A 7 -3.367 11.706 -1.764 1.00 0.00 H new ATOM 0 HD2 PHE A 7 -6.151 14.915 -1.428 1.00 0.00 H new ATOM 0 HE1 PHE A 7 -3.148 11.639 0.681 1.00 0.00 H new ATOM 0 HE2 PHE A 7 -5.935 14.849 1.017 1.00 0.00 H new ATOM 0 HZ PHE A 7 -4.429 13.213 2.078 1.00 0.00 H new ATOM 103 N ASN A 8 -7.507 11.881 -3.796 1.00 0.00 N ATOM 104 CA ASN A 8 -8.803 11.358 -3.375 1.00 0.00 C ATOM 105 C ASN A 8 -9.013 9.958 -3.930 1.00 0.00 C ATOM 106 O ASN A 8 -9.650 9.112 -3.302 1.00 0.00 O ATOM 107 CB ASN A 8 -9.939 12.293 -3.830 1.00 0.00 C ATOM 108 CG ASN A 8 -10.469 11.984 -5.222 1.00 0.00 C ATOM 109 OD1 ASN A 8 -10.880 10.862 -5.518 1.00 0.00 O ATOM 110 ND2 ASN A 8 -10.497 13.000 -6.074 1.00 0.00 N ATOM 0 H ASN A 8 -7.560 12.690 -4.415 1.00 0.00 H new ATOM 0 HA ASN A 8 -8.817 11.307 -2.286 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -10.760 12.226 -3.116 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -9.581 13.322 -3.808 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -10.869 12.867 -7.014 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -10.146 13.914 -5.789 1.00 0.00 H new ATOM 117 N ASN A 9 -8.467 9.731 -5.114 1.00 0.00 N ATOM 118 CA ASN A 9 -8.572 8.453 -5.785 1.00 0.00 C ATOM 119 C ASN A 9 -7.913 7.377 -4.936 1.00 0.00 C ATOM 120 O ASN A 9 -8.430 6.269 -4.796 1.00 0.00 O ATOM 121 CB ASN A 9 -7.899 8.555 -7.151 1.00 0.00 C ATOM 122 CG ASN A 9 -8.566 7.726 -8.207 1.00 0.00 C ATOM 123 OD1 ASN A 9 -8.818 6.535 -8.026 1.00 0.00 O ATOM 124 ND2 ASN A 9 -8.836 8.358 -9.332 1.00 0.00 N ATOM 0 H ASN A 9 -7.939 10.431 -5.634 1.00 0.00 H new ATOM 0 HA ASN A 9 -9.619 8.185 -5.925 1.00 0.00 H new ATOM 0 HB2 ASN A 9 -7.893 9.598 -7.468 1.00 0.00 H new ATOM 0 HB3 ASN A 9 -6.858 8.244 -7.059 1.00 0.00 H new ATOM 0 HD21 ASN A 9 -9.275 7.858 -10.105 1.00 0.00 H new ATOM 0 HD22 ASN A 9 -8.606 9.347 -9.429 1.00 0.00 H new ATOM 131 N ALA A 10 -6.770 7.729 -4.355 1.00 0.00 N ATOM 132 CA ALA A 10 -6.034 6.819 -3.495 1.00 0.00 C ATOM 133 C ALA A 10 -6.796 6.577 -2.198 1.00 0.00 C ATOM 134 O ALA A 10 -6.874 5.446 -1.712 1.00 0.00 O ATOM 135 CB ALA A 10 -4.648 7.374 -3.204 1.00 0.00 C ATOM 0 H ALA A 10 -6.334 8.644 -4.468 1.00 0.00 H new ATOM 0 HA ALA A 10 -5.924 5.865 -4.011 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -4.107 6.682 -2.558 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -4.103 7.499 -4.139 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -4.740 8.339 -2.705 1.00 0.00 H new ATOM 141 N ILE A 11 -7.369 7.650 -1.643 1.00 0.00 N ATOM 142 CA ILE A 11 -8.132 7.545 -0.407 1.00 0.00 C ATOM 143 C ILE A 11 -9.226 6.500 -0.552 1.00 0.00 C ATOM 144 O ILE A 11 -9.488 5.732 0.366 1.00 0.00 O ATOM 145 CB ILE A 11 -8.788 8.883 -0.014 1.00 0.00 C ATOM 146 CG1 ILE A 11 -7.753 10.010 0.036 1.00 0.00 C ATOM 147 CG2 ILE A 11 -9.484 8.742 1.329 1.00 0.00 C ATOM 148 CD1 ILE A 11 -6.641 9.784 1.037 1.00 0.00 C ATOM 0 H ILE A 11 -7.317 8.592 -2.031 1.00 0.00 H new ATOM 0 HA ILE A 11 -7.428 7.259 0.374 1.00 0.00 H new ATOM 0 HB ILE A 11 -9.526 9.141 -0.773 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -7.316 10.132 -0.955 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -8.260 10.944 0.277 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -9.946 9.691 1.601 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -10.252 7.971 1.262 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -8.755 8.462 2.089 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -5.951 10.627 1.010 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -7.065 9.694 2.037 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -6.106 8.868 0.786 1.00 0.00 H new ATOM 160 N SER A 12 -9.862 6.492 -1.717 1.00 0.00 N ATOM 161 CA SER A 12 -10.937 5.550 -2.003 1.00 0.00 C ATOM 162 C SER A 12 -10.486 4.107 -1.791 1.00 0.00 C ATOM 163 O SER A 12 -11.245 3.284 -1.280 1.00 0.00 O ATOM 164 CB SER A 12 -11.432 5.732 -3.439 1.00 0.00 C ATOM 165 OG SER A 12 -11.936 7.041 -3.643 1.00 0.00 O ATOM 0 H SER A 12 -9.650 7.131 -2.483 1.00 0.00 H new ATOM 0 HA SER A 12 -11.752 5.757 -1.309 1.00 0.00 H new ATOM 0 HB2 SER A 12 -10.616 5.541 -4.135 1.00 0.00 H new ATOM 0 HB3 SER A 12 -12.212 5.001 -3.654 1.00 0.00 H new ATOM 0 HG SER A 12 -11.200 7.686 -3.596 1.00 0.00 H new ATOM 171 N TYR A 13 -9.253 3.800 -2.189 1.00 0.00 N ATOM 172 CA TYR A 13 -8.726 2.448 -2.038 1.00 0.00 C ATOM 173 C TYR A 13 -8.509 2.109 -0.571 1.00 0.00 C ATOM 174 O TYR A 13 -9.028 1.113 -0.069 1.00 0.00 O ATOM 175 CB TYR A 13 -7.407 2.293 -2.799 1.00 0.00 C ATOM 176 CG TYR A 13 -6.838 0.890 -2.741 1.00 0.00 C ATOM 177 CD1 TYR A 13 -7.654 -0.220 -2.927 1.00 0.00 C ATOM 178 CD2 TYR A 13 -5.488 0.676 -2.495 1.00 0.00 C ATOM 179 CE1 TYR A 13 -7.139 -1.501 -2.872 1.00 0.00 C ATOM 180 CE2 TYR A 13 -4.966 -0.603 -2.438 1.00 0.00 C ATOM 181 CZ TYR A 13 -5.797 -1.688 -2.627 1.00 0.00 C ATOM 182 OH TYR A 13 -5.285 -2.963 -2.568 1.00 0.00 O ATOM 0 H TYR A 13 -8.606 4.464 -2.615 1.00 0.00 H new ATOM 0 HA TYR A 13 -9.461 1.759 -2.454 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -7.563 2.571 -3.841 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -6.676 2.990 -2.390 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -8.708 -0.079 -3.118 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -4.835 1.523 -2.346 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -7.787 -2.352 -3.021 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -3.914 -0.752 -2.247 1.00 0.00 H new ATOM 0 HH TYR A 13 -5.734 -3.527 -3.232 1.00 0.00 H new ATOM 192 N VAL A 14 -7.734 2.944 0.109 1.00 0.00 N ATOM 193 CA VAL A 14 -7.436 2.739 1.521 1.00 0.00 C ATOM 194 C VAL A 14 -8.714 2.726 2.351 1.00 0.00 C ATOM 195 O VAL A 14 -8.839 1.967 3.313 1.00 0.00 O ATOM 196 CB VAL A 14 -6.498 3.838 2.053 1.00 0.00 C ATOM 197 CG1 VAL A 14 -6.031 3.511 3.464 1.00 0.00 C ATOM 198 CG2 VAL A 14 -5.316 4.024 1.114 1.00 0.00 C ATOM 0 H VAL A 14 -7.299 3.773 -0.296 1.00 0.00 H new ATOM 0 HA VAL A 14 -6.940 1.772 1.611 1.00 0.00 H new ATOM 0 HB VAL A 14 -7.051 4.777 2.095 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -5.369 4.301 3.820 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -6.895 3.435 4.125 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -5.494 2.562 3.459 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -4.662 4.804 1.503 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -4.761 3.089 1.038 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -5.677 4.312 0.127 1.00 0.00 H new ATOM 208 N ASN A 15 -9.656 3.577 1.968 1.00 0.00 N ATOM 209 CA ASN A 15 -10.932 3.685 2.662 1.00 0.00 C ATOM 210 C ASN A 15 -11.716 2.391 2.548 1.00 0.00 C ATOM 211 O ASN A 15 -12.101 1.790 3.548 1.00 0.00 O ATOM 212 CB ASN A 15 -11.746 4.819 2.060 1.00 0.00 C ATOM 213 CG ASN A 15 -12.896 5.250 2.948 1.00 0.00 C ATOM 214 OD1 ASN A 15 -13.803 4.470 3.236 1.00 0.00 O ATOM 215 ND2 ASN A 15 -12.855 6.501 3.389 1.00 0.00 N ATOM 0 H ASN A 15 -9.559 4.208 1.173 1.00 0.00 H new ATOM 0 HA ASN A 15 -10.736 3.886 3.715 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -11.093 5.673 1.878 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -12.138 4.506 1.092 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -13.597 6.853 3.994 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -12.082 7.111 3.123 1.00 0.00 H new ATOM 222 N LYS A 16 -11.947 1.976 1.311 1.00 0.00 N ATOM 223 CA LYS A 16 -12.688 0.751 1.035 1.00 0.00 C ATOM 224 C LYS A 16 -12.070 -0.426 1.780 1.00 0.00 C ATOM 225 O LYS A 16 -12.779 -1.272 2.320 1.00 0.00 O ATOM 226 CB LYS A 16 -12.706 0.470 -0.469 1.00 0.00 C ATOM 227 CG LYS A 16 -13.522 -0.753 -0.856 1.00 0.00 C ATOM 228 CD LYS A 16 -13.470 -1.000 -2.356 1.00 0.00 C ATOM 229 CE LYS A 16 -14.295 -2.212 -2.752 1.00 0.00 C ATOM 230 NZ LYS A 16 -14.195 -2.500 -4.210 1.00 0.00 N ATOM 0 H LYS A 16 -11.631 2.472 0.478 1.00 0.00 H new ATOM 0 HA LYS A 16 -13.713 0.883 1.381 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -13.107 1.341 -0.987 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -11.681 0.336 -0.816 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -13.143 -1.628 -0.328 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -14.557 -0.616 -0.544 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -13.839 -0.120 -2.883 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -12.435 -1.147 -2.666 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -13.958 -3.081 -2.186 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -15.339 -2.043 -2.486 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -14.472 -3.486 -4.389 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -14.828 -1.862 -4.734 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -13.215 -2.353 -4.527 1.00 0.00 H new ATOM 244 N ILE A 17 -10.744 -0.465 1.816 1.00 0.00 N ATOM 245 CA ILE A 17 -10.030 -1.529 2.508 1.00 0.00 C ATOM 246 C ILE A 17 -10.352 -1.511 3.998 1.00 0.00 C ATOM 247 O ILE A 17 -10.622 -2.551 4.601 1.00 0.00 O ATOM 248 CB ILE A 17 -8.507 -1.389 2.318 1.00 0.00 C ATOM 249 CG1 ILE A 17 -8.138 -1.598 0.850 1.00 0.00 C ATOM 250 CG2 ILE A 17 -7.761 -2.372 3.209 1.00 0.00 C ATOM 251 CD1 ILE A 17 -6.667 -1.391 0.561 1.00 0.00 C ATOM 0 H ILE A 17 -10.141 0.229 1.373 1.00 0.00 H new ATOM 0 HA ILE A 17 -10.356 -2.476 2.077 1.00 0.00 H new ATOM 0 HB ILE A 17 -8.211 -0.381 2.609 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -8.420 -2.608 0.553 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -8.721 -0.911 0.236 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -6.688 -2.256 3.059 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -8.005 -2.175 4.253 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -8.055 -3.390 2.954 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -6.478 -1.556 -0.500 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -6.384 -0.372 0.826 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -6.078 -2.096 1.148 1.00 0.00 H new ATOM 263 N LYS A 18 -10.319 -0.320 4.581 1.00 0.00 N ATOM 264 CA LYS A 18 -10.606 -0.148 6.000 1.00 0.00 C ATOM 265 C LYS A 18 -12.037 -0.554 6.315 1.00 0.00 C ATOM 266 O LYS A 18 -12.286 -1.399 7.176 1.00 0.00 O ATOM 267 CB LYS A 18 -10.395 1.314 6.392 1.00 0.00 C ATOM 268 CG LYS A 18 -10.548 1.583 7.879 1.00 0.00 C ATOM 269 CD LYS A 18 -10.595 3.076 8.181 1.00 0.00 C ATOM 270 CE LYS A 18 -9.352 3.804 7.685 1.00 0.00 C ATOM 271 NZ LYS A 18 -9.352 3.977 6.206 1.00 0.00 N ATOM 0 H LYS A 18 -10.095 0.546 4.091 1.00 0.00 H new ATOM 0 HA LYS A 18 -9.929 -0.786 6.569 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -9.398 1.623 6.078 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -11.108 1.932 5.846 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -11.460 1.110 8.242 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -9.717 1.129 8.418 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -11.479 3.511 7.715 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -10.696 3.224 9.256 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -9.291 4.782 8.163 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -8.464 3.247 7.984 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -8.685 4.731 5.945 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -9.063 3.087 5.752 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -10.308 4.234 5.887 1.00 0.00 H new ATOM 285 N THR A 19 -12.972 0.069 5.613 1.00 0.00 N ATOM 286 CA THR A 19 -14.391 -0.198 5.801 1.00 0.00 C ATOM 287 C THR A 19 -14.721 -1.666 5.550 1.00 0.00 C ATOM 288 O THR A 19 -15.623 -2.225 6.174 1.00 0.00 O ATOM 289 CB THR A 19 -15.258 0.686 4.877 1.00 0.00 C ATOM 290 OG1 THR A 19 -16.633 0.604 5.267 1.00 0.00 O ATOM 291 CG2 THR A 19 -15.122 0.257 3.424 1.00 0.00 C ATOM 0 H THR A 19 -12.770 0.770 4.900 1.00 0.00 H new ATOM 0 HA THR A 19 -14.620 0.043 6.839 1.00 0.00 H new ATOM 0 HB THR A 19 -14.909 1.714 4.973 1.00 0.00 H new ATOM 0 HG1 THR A 19 -17.175 1.169 4.677 1.00 0.00 H new ATOM 0 HG21 THR A 19 -15.743 0.896 2.796 1.00 0.00 H new ATOM 0 HG22 THR A 19 -14.081 0.346 3.114 1.00 0.00 H new ATOM 0 HG23 THR A 19 -15.445 -0.779 3.319 1.00 0.00 H new ATOM 299 N ARG A 20 -13.990 -2.283 4.631 1.00 0.00 N ATOM 300 CA ARG A 20 -14.212 -3.684 4.297 1.00 0.00 C ATOM 301 C ARG A 20 -13.819 -4.600 5.452 1.00 0.00 C ATOM 302 O ARG A 20 -14.634 -5.387 5.936 1.00 0.00 O ATOM 303 CB ARG A 20 -13.422 -4.059 3.038 1.00 0.00 C ATOM 304 CG ARG A 20 -13.478 -5.539 2.695 1.00 0.00 C ATOM 305 CD ARG A 20 -14.910 -6.040 2.631 1.00 0.00 C ATOM 306 NE ARG A 20 -15.700 -5.336 1.622 1.00 0.00 N ATOM 307 CZ ARG A 20 -15.446 -5.378 0.317 1.00 0.00 C ATOM 308 NH1 ARG A 20 -14.434 -6.103 -0.146 1.00 0.00 N ATOM 309 NH2 ARG A 20 -16.206 -4.696 -0.529 1.00 0.00 N ATOM 0 H ARG A 20 -13.239 -1.836 4.104 1.00 0.00 H new ATOM 0 HA ARG A 20 -15.277 -3.818 4.107 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -13.807 -3.486 2.195 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -12.381 -3.766 3.173 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -12.988 -5.711 1.737 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -12.925 -6.108 3.442 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -14.910 -7.107 2.409 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -15.379 -5.918 3.607 1.00 0.00 H new ATOM 0 HE ARG A 20 -16.494 -4.779 1.938 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -13.847 -6.631 0.500 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -14.244 -6.132 -1.148 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -16.986 -4.139 -0.179 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -16.011 -4.728 -1.530 1.00 0.00 H new ATOM 323 N PHE A 21 -12.568 -4.503 5.881 1.00 0.00 N ATOM 324 CA PHE A 21 -12.070 -5.335 6.969 1.00 0.00 C ATOM 325 C PHE A 21 -12.234 -4.662 8.332 1.00 0.00 C ATOM 326 O PHE A 21 -11.375 -4.805 9.202 1.00 0.00 O ATOM 327 CB PHE A 21 -10.600 -5.686 6.742 1.00 0.00 C ATOM 328 CG PHE A 21 -10.345 -6.473 5.486 1.00 0.00 C ATOM 329 CD1 PHE A 21 -10.313 -5.847 4.251 1.00 0.00 C ATOM 330 CD2 PHE A 21 -10.135 -7.840 5.545 1.00 0.00 C ATOM 331 CE1 PHE A 21 -10.072 -6.571 3.098 1.00 0.00 C ATOM 332 CE2 PHE A 21 -9.895 -8.570 4.399 1.00 0.00 C ATOM 333 CZ PHE A 21 -9.861 -7.935 3.173 1.00 0.00 C ATOM 0 H PHE A 21 -11.880 -3.858 5.493 1.00 0.00 H new ATOM 0 HA PHE A 21 -12.668 -6.246 6.973 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -10.019 -4.765 6.705 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -10.238 -6.258 7.596 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -10.478 -4.782 4.188 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -10.159 -8.342 6.501 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -10.049 -6.072 2.141 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -9.734 -9.636 4.461 1.00 0.00 H new ATOM 0 HZ PHE A 21 -9.670 -8.503 2.275 1.00 0.00 H new ATOM 343 N LEU A 22 -13.338 -3.945 8.524 1.00 0.00 N ATOM 344 CA LEU A 22 -13.594 -3.280 9.799 1.00 0.00 C ATOM 345 C LEU A 22 -13.572 -4.285 10.946 1.00 0.00 C ATOM 346 O LEU A 22 -13.163 -3.961 12.062 1.00 0.00 O ATOM 347 CB LEU A 22 -14.939 -2.552 9.773 1.00 0.00 C ATOM 348 CG LEU A 22 -14.958 -1.245 8.978 1.00 0.00 C ATOM 349 CD1 LEU A 22 -16.348 -0.630 8.998 1.00 0.00 C ATOM 350 CD2 LEU A 22 -13.936 -0.265 9.535 1.00 0.00 C ATOM 0 H LEU A 22 -14.064 -3.810 7.820 1.00 0.00 H new ATOM 0 HA LEU A 22 -12.803 -2.547 9.957 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -15.689 -3.223 9.355 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -15.238 -2.339 10.799 1.00 0.00 H new ATOM 0 HG LEU A 22 -14.693 -1.468 7.945 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -16.343 0.299 8.428 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -17.060 -1.325 8.553 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -16.639 -0.422 10.028 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -13.964 0.658 8.957 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -14.171 -0.048 10.577 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -12.940 -0.703 9.471 1.00 0.00 H new ATOM 362 N ASP A 23 -14.012 -5.505 10.661 1.00 0.00 N ATOM 363 CA ASP A 23 -14.045 -6.565 11.662 1.00 0.00 C ATOM 364 C ASP A 23 -12.642 -7.095 11.930 1.00 0.00 C ATOM 365 O ASP A 23 -12.304 -7.433 13.064 1.00 0.00 O ATOM 366 CB ASP A 23 -14.953 -7.703 11.201 1.00 0.00 C ATOM 367 CG ASP A 23 -16.372 -7.239 10.937 1.00 0.00 C ATOM 368 OD1 ASP A 23 -17.020 -6.742 11.880 1.00 0.00 O ATOM 369 OD2 ASP A 23 -16.834 -7.373 9.784 1.00 0.00 O ATOM 0 H ASP A 23 -14.352 -5.786 9.741 1.00 0.00 H new ATOM 0 HA ASP A 23 -14.442 -6.148 12.587 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -14.544 -8.146 10.293 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -14.965 -8.485 11.960 1.00 0.00 H new ATOM 374 N HIS A 24 -11.834 -7.170 10.875 1.00 0.00 N ATOM 375 CA HIS A 24 -10.472 -7.654 10.972 1.00 0.00 C ATOM 376 C HIS A 24 -9.473 -6.496 10.856 1.00 0.00 C ATOM 377 O HIS A 24 -8.885 -6.282 9.796 1.00 0.00 O ATOM 378 CB HIS A 24 -10.225 -8.677 9.871 1.00 0.00 C ATOM 379 CG HIS A 24 -11.051 -9.918 10.003 1.00 0.00 C ATOM 380 ND1 HIS A 24 -10.954 -10.774 11.080 1.00 0.00 N ATOM 381 CD2 HIS A 24 -11.993 -10.447 9.187 1.00 0.00 C ATOM 382 CE1 HIS A 24 -11.800 -11.777 10.919 1.00 0.00 C ATOM 383 NE2 HIS A 24 -12.443 -11.601 9.780 1.00 0.00 N ATOM 0 H HIS A 24 -12.111 -6.896 9.932 1.00 0.00 H new ATOM 0 HA HIS A 24 -10.330 -8.123 11.945 1.00 0.00 H new ATOM 0 HB2 HIS A 24 -10.432 -8.215 8.906 1.00 0.00 H new ATOM 0 HB3 HIS A 24 -9.170 -8.952 9.873 1.00 0.00 H new ATOM 0 HD2 HIS A 24 -12.328 -10.038 8.245 1.00 0.00 H new ATOM 0 HE1 HIS A 24 -11.941 -12.601 11.603 1.00 0.00 H new ATOM 0 HE2 HIS A 24 -13.158 -12.222 9.401 1.00 0.00 H new ATOM 392 N PRO A 25 -9.268 -5.729 11.945 1.00 0.00 N ATOM 393 CA PRO A 25 -8.338 -4.591 11.956 1.00 0.00 C ATOM 394 C PRO A 25 -6.917 -4.990 11.578 1.00 0.00 C ATOM 395 O PRO A 25 -6.216 -4.246 10.893 1.00 0.00 O ATOM 396 CB PRO A 25 -8.381 -4.094 13.403 1.00 0.00 C ATOM 397 CG PRO A 25 -8.962 -5.223 14.184 1.00 0.00 C ATOM 398 CD PRO A 25 -9.919 -5.902 13.251 1.00 0.00 C ATOM 0 HA PRO A 25 -8.626 -3.836 11.224 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -7.384 -3.838 13.762 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -8.992 -3.196 13.494 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -8.185 -5.910 14.518 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -9.473 -4.861 15.076 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -10.052 -6.954 13.502 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -10.906 -5.441 13.276 1.00 0.00 H new ATOM 406 N GLU A 26 -6.497 -6.167 12.032 1.00 0.00 N ATOM 407 CA GLU A 26 -5.157 -6.671 11.747 1.00 0.00 C ATOM 408 C GLU A 26 -4.838 -6.586 10.256 1.00 0.00 C ATOM 409 O GLU A 26 -3.691 -6.363 9.870 1.00 0.00 O ATOM 410 CB GLU A 26 -5.021 -8.117 12.230 1.00 0.00 C ATOM 411 CG GLU A 26 -6.033 -9.066 11.612 1.00 0.00 C ATOM 412 CD GLU A 26 -5.881 -10.486 12.117 1.00 0.00 C ATOM 413 OE1 GLU A 26 -4.797 -11.075 11.919 1.00 0.00 O ATOM 414 OE2 GLU A 26 -6.846 -11.011 12.712 1.00 0.00 O ATOM 0 H GLU A 26 -7.068 -6.792 12.601 1.00 0.00 H new ATOM 0 HA GLU A 26 -4.443 -6.045 12.283 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -4.016 -8.473 12.003 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -5.130 -8.140 13.314 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -7.040 -8.712 11.832 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -5.921 -9.056 10.528 1.00 0.00 H new ATOM 421 N ILE A 27 -5.860 -6.766 9.424 1.00 0.00 N ATOM 422 CA ILE A 27 -5.687 -6.712 7.976 1.00 0.00 C ATOM 423 C ILE A 27 -5.262 -5.317 7.533 1.00 0.00 C ATOM 424 O ILE A 27 -4.260 -5.150 6.838 1.00 0.00 O ATOM 425 CB ILE A 27 -6.993 -7.068 7.246 1.00 0.00 C ATOM 426 CG1 ILE A 27 -7.680 -8.263 7.914 1.00 0.00 C ATOM 427 CG2 ILE A 27 -6.714 -7.353 5.775 1.00 0.00 C ATOM 428 CD1 ILE A 27 -7.029 -9.598 7.643 1.00 0.00 C ATOM 0 H ILE A 27 -6.816 -6.950 9.728 1.00 0.00 H new ATOM 0 HA ILE A 27 -4.914 -7.437 7.721 1.00 0.00 H new ATOM 0 HB ILE A 27 -7.669 -6.216 7.309 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -7.702 -8.097 8.991 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -8.716 -8.304 7.577 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -7.647 -7.604 5.270 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -6.275 -6.470 5.310 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -6.020 -8.189 5.692 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -7.583 -10.384 8.156 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -7.031 -9.793 6.571 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -6.002 -9.582 8.007 1.00 0.00 H new ATOM 440 N TYR A 28 -6.041 -4.319 7.942 1.00 0.00 N ATOM 441 CA TYR A 28 -5.766 -2.930 7.593 1.00 0.00 C ATOM 442 C TYR A 28 -4.407 -2.494 8.125 1.00 0.00 C ATOM 443 O TYR A 28 -3.594 -1.930 7.394 1.00 0.00 O ATOM 444 CB TYR A 28 -6.858 -2.026 8.155 1.00 0.00 C ATOM 445 CG TYR A 28 -6.691 -0.569 7.803 1.00 0.00 C ATOM 446 CD1 TYR A 28 -6.650 -0.162 6.479 1.00 0.00 C ATOM 447 CD2 TYR A 28 -6.574 0.397 8.792 1.00 0.00 C ATOM 448 CE1 TYR A 28 -6.495 1.170 6.146 1.00 0.00 C ATOM 449 CE2 TYR A 28 -6.420 1.731 8.471 1.00 0.00 C ATOM 450 CZ TYR A 28 -6.380 2.113 7.145 1.00 0.00 C ATOM 451 OH TYR A 28 -6.225 3.440 6.820 1.00 0.00 O ATOM 0 H TYR A 28 -6.872 -4.449 8.519 1.00 0.00 H new ATOM 0 HA TYR A 28 -5.752 -2.847 6.506 1.00 0.00 H new ATOM 0 HB2 TYR A 28 -7.825 -2.369 7.787 1.00 0.00 H new ATOM 0 HB3 TYR A 28 -6.876 -2.127 9.240 1.00 0.00 H new ATOM 0 HD1 TYR A 28 -6.741 -0.898 5.694 1.00 0.00 H new ATOM 0 HD2 TYR A 28 -6.604 0.101 9.830 1.00 0.00 H new ATOM 0 HE1 TYR A 28 -6.464 1.471 5.109 1.00 0.00 H new ATOM 0 HE2 TYR A 28 -6.331 2.471 9.253 1.00 0.00 H new ATOM 0 HH TYR A 28 -6.160 3.972 7.640 1.00 0.00 H new ATOM 461 N ARG A 29 -4.174 -2.765 9.404 1.00 0.00 N ATOM 462 CA ARG A 29 -2.920 -2.411 10.053 1.00 0.00 C ATOM 463 C ARG A 29 -1.726 -2.940 9.269 1.00 0.00 C ATOM 464 O ARG A 29 -0.807 -2.192 8.939 1.00 0.00 O ATOM 465 CB ARG A 29 -2.901 -2.980 11.467 1.00 0.00 C ATOM 466 CG ARG A 29 -3.943 -2.363 12.386 1.00 0.00 C ATOM 467 CD ARG A 29 -3.684 -0.881 12.612 1.00 0.00 C ATOM 468 NE ARG A 29 -4.663 -0.279 13.515 1.00 0.00 N ATOM 469 CZ ARG A 29 -5.964 -0.192 13.247 1.00 0.00 C ATOM 470 NH1 ARG A 29 -6.446 -0.655 12.102 1.00 0.00 N ATOM 471 NH2 ARG A 29 -6.786 0.362 14.129 1.00 0.00 N ATOM 0 H ARG A 29 -4.844 -3.232 10.015 1.00 0.00 H new ATOM 0 HA ARG A 29 -2.847 -1.324 10.090 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -3.064 -4.057 11.418 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -1.912 -2.826 11.898 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -4.935 -2.498 11.955 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -3.938 -2.884 13.344 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -2.683 -0.748 13.023 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -3.707 -0.360 11.655 1.00 0.00 H new ATOM 0 HE ARG A 29 -4.330 0.097 14.403 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -5.819 -1.081 11.420 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -7.444 -0.585 11.903 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -6.421 0.721 15.011 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -7.783 0.429 13.925 1.00 0.00 H new ATOM 485 N SER A 30 -1.751 -4.235 8.979 1.00 0.00 N ATOM 486 CA SER A 30 -0.673 -4.876 8.233 1.00 0.00 C ATOM 487 C SER A 30 -0.411 -4.148 6.917 1.00 0.00 C ATOM 488 O SER A 30 0.732 -3.823 6.601 1.00 0.00 O ATOM 489 CB SER A 30 -1.015 -6.342 7.963 1.00 0.00 C ATOM 490 OG SER A 30 -1.177 -7.059 9.176 1.00 0.00 O ATOM 0 H SER A 30 -2.507 -4.864 9.249 1.00 0.00 H new ATOM 0 HA SER A 30 0.233 -4.827 8.837 1.00 0.00 H new ATOM 0 HB2 SER A 30 -1.931 -6.403 7.376 1.00 0.00 H new ATOM 0 HB3 SER A 30 -0.224 -6.800 7.369 1.00 0.00 H new ATOM 0 HG SER A 30 -1.964 -6.722 9.652 1.00 0.00 H new ATOM 496 N PHE A 31 -1.476 -3.889 6.160 1.00 0.00 N ATOM 497 CA PHE A 31 -1.365 -3.189 4.882 1.00 0.00 C ATOM 498 C PHE A 31 -0.584 -1.890 5.039 1.00 0.00 C ATOM 499 O PHE A 31 0.358 -1.619 4.289 1.00 0.00 O ATOM 500 CB PHE A 31 -2.757 -2.878 4.327 1.00 0.00 C ATOM 501 CG PHE A 31 -2.740 -1.992 3.112 1.00 0.00 C ATOM 502 CD1 PHE A 31 -2.245 -2.456 1.903 1.00 0.00 C ATOM 503 CD2 PHE A 31 -3.227 -0.696 3.179 1.00 0.00 C ATOM 504 CE1 PHE A 31 -2.233 -1.644 0.785 1.00 0.00 C ATOM 505 CE2 PHE A 31 -3.218 0.121 2.064 1.00 0.00 C ATOM 506 CZ PHE A 31 -2.720 -0.354 0.866 1.00 0.00 C ATOM 0 H PHE A 31 -2.428 -4.155 6.411 1.00 0.00 H new ATOM 0 HA PHE A 31 -0.832 -3.839 4.189 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -3.256 -3.814 4.076 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -3.350 -2.400 5.106 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -1.864 -3.464 1.834 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -3.618 -0.320 4.113 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -1.843 -2.017 -0.151 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -3.600 1.129 2.129 1.00 0.00 H new ATOM 0 HZ PHE A 31 -2.712 0.283 -0.006 1.00 0.00 H new ATOM 516 N LEU A 32 -0.982 -1.091 6.021 1.00 0.00 N ATOM 517 CA LEU A 32 -0.325 0.177 6.281 1.00 0.00 C ATOM 518 C LEU A 32 1.155 -0.047 6.556 1.00 0.00 C ATOM 519 O LEU A 32 2.006 0.659 6.024 1.00 0.00 O ATOM 520 CB LEU A 32 -0.988 0.884 7.464 1.00 0.00 C ATOM 521 CG LEU A 32 -2.508 1.016 7.366 1.00 0.00 C ATOM 522 CD1 LEU A 32 -3.049 1.834 8.525 1.00 0.00 C ATOM 523 CD2 LEU A 32 -2.907 1.639 6.040 1.00 0.00 C ATOM 0 H LEU A 32 -1.757 -1.302 6.649 1.00 0.00 H new ATOM 0 HA LEU A 32 -0.423 0.812 5.400 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -0.743 0.341 8.377 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -0.557 1.880 7.561 1.00 0.00 H new ATOM 0 HG LEU A 32 -2.942 0.018 7.419 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -4.132 1.917 8.438 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -2.797 1.344 9.465 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -2.606 2.830 8.505 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -3.993 1.724 5.990 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -2.461 2.630 5.955 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -2.554 1.011 5.222 1.00 0.00 H new ATOM 535 N GLU A 33 1.451 -1.051 7.376 1.00 0.00 N ATOM 536 CA GLU A 33 2.829 -1.389 7.707 1.00 0.00 C ATOM 537 C GLU A 33 3.585 -1.819 6.455 1.00 0.00 C ATOM 538 O GLU A 33 4.791 -1.615 6.356 1.00 0.00 O ATOM 539 CB GLU A 33 2.872 -2.505 8.754 1.00 0.00 C ATOM 540 CG GLU A 33 2.205 -2.133 10.070 1.00 0.00 C ATOM 541 CD GLU A 33 2.267 -3.250 11.094 1.00 0.00 C ATOM 542 OE1 GLU A 33 2.833 -4.318 10.776 1.00 0.00 O ATOM 543 OE2 GLU A 33 1.751 -3.058 12.215 1.00 0.00 O ATOM 0 H GLU A 33 0.753 -1.645 7.824 1.00 0.00 H new ATOM 0 HA GLU A 33 3.309 -0.503 8.122 1.00 0.00 H new ATOM 0 HB2 GLU A 33 2.385 -3.392 8.348 1.00 0.00 H new ATOM 0 HB3 GLU A 33 3.911 -2.772 8.946 1.00 0.00 H new ATOM 0 HG2 GLU A 33 2.686 -1.244 10.478 1.00 0.00 H new ATOM 0 HG3 GLU A 33 1.163 -1.874 9.884 1.00 0.00 H new ATOM 550 N ILE A 34 2.868 -2.406 5.497 1.00 0.00 N ATOM 551 CA ILE A 34 3.482 -2.846 4.250 1.00 0.00 C ATOM 552 C ILE A 34 4.086 -1.658 3.512 1.00 0.00 C ATOM 553 O ILE A 34 5.283 -1.634 3.223 1.00 0.00 O ATOM 554 CB ILE A 34 2.461 -3.544 3.341 1.00 0.00 C ATOM 555 CG1 ILE A 34 1.955 -4.812 4.022 1.00 0.00 C ATOM 556 CG2 ILE A 34 3.078 -3.865 1.986 1.00 0.00 C ATOM 557 CD1 ILE A 34 0.900 -5.538 3.231 1.00 0.00 C ATOM 0 H ILE A 34 1.866 -2.586 5.562 1.00 0.00 H new ATOM 0 HA ILE A 34 4.267 -3.559 4.502 1.00 0.00 H new ATOM 0 HB ILE A 34 1.618 -2.874 3.171 1.00 0.00 H new ATOM 0 HG12 ILE A 34 2.796 -5.484 4.193 1.00 0.00 H new ATOM 0 HG13 ILE A 34 1.550 -4.553 5.000 1.00 0.00 H new ATOM 0 HG21 ILE A 34 2.338 -4.359 1.357 1.00 0.00 H new ATOM 0 HG22 ILE A 34 3.403 -2.942 1.506 1.00 0.00 H new ATOM 0 HG23 ILE A 34 3.935 -4.524 2.124 1.00 0.00 H new ATOM 0 HD11 ILE A 34 0.587 -6.429 3.775 1.00 0.00 H new ATOM 0 HD12 ILE A 34 0.042 -4.883 3.082 1.00 0.00 H new ATOM 0 HD13 ILE A 34 1.307 -5.828 2.262 1.00 0.00 H new ATOM 569 N LEU A 35 3.251 -0.660 3.239 1.00 0.00 N ATOM 570 CA LEU A 35 3.703 0.552 2.566 1.00 0.00 C ATOM 571 C LEU A 35 4.703 1.280 3.462 1.00 0.00 C ATOM 572 O LEU A 35 5.740 1.775 3.007 1.00 0.00 O ATOM 573 CB LEU A 35 2.509 1.459 2.257 1.00 0.00 C ATOM 574 CG LEU A 35 1.421 0.833 1.377 1.00 0.00 C ATOM 575 CD1 LEU A 35 0.167 1.692 1.384 1.00 0.00 C ATOM 576 CD2 LEU A 35 1.923 0.650 -0.047 1.00 0.00 C ATOM 0 H LEU A 35 2.258 -0.667 3.474 1.00 0.00 H new ATOM 0 HA LEU A 35 4.187 0.288 1.626 1.00 0.00 H new ATOM 0 HB2 LEU A 35 2.057 1.770 3.199 1.00 0.00 H new ATOM 0 HB3 LEU A 35 2.876 2.360 1.766 1.00 0.00 H new ATOM 0 HG LEU A 35 1.174 -0.146 1.787 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -0.593 1.231 0.754 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -0.210 1.778 2.403 1.00 0.00 H new ATOM 0 HD13 LEU A 35 0.404 2.684 1.000 1.00 0.00 H new ATOM 0 HD21 LEU A 35 1.136 0.204 -0.656 1.00 0.00 H new ATOM 0 HD22 LEU A 35 2.199 1.619 -0.463 1.00 0.00 H new ATOM 0 HD23 LEU A 35 2.794 -0.005 -0.044 1.00 0.00 H new ATOM 588 N HIS A 36 4.376 1.314 4.750 1.00 0.00 N ATOM 589 CA HIS A 36 5.215 1.946 5.757 1.00 0.00 C ATOM 590 C HIS A 36 6.623 1.361 5.739 1.00 0.00 C ATOM 591 O HIS A 36 7.606 2.089 5.842 1.00 0.00 O ATOM 592 CB HIS A 36 4.585 1.773 7.142 1.00 0.00 C ATOM 593 CG HIS A 36 3.684 2.901 7.538 1.00 0.00 C ATOM 594 ND1 HIS A 36 4.094 4.219 7.560 1.00 0.00 N ATOM 595 CD2 HIS A 36 2.391 2.904 7.939 1.00 0.00 C ATOM 596 CE1 HIS A 36 3.091 4.983 7.958 1.00 0.00 C ATOM 597 NE2 HIS A 36 2.048 4.209 8.194 1.00 0.00 N ATOM 0 H HIS A 36 3.520 0.903 5.123 1.00 0.00 H new ATOM 0 HA HIS A 36 5.289 3.009 5.528 1.00 0.00 H new ATOM 0 HB2 HIS A 36 4.017 0.843 7.160 1.00 0.00 H new ATOM 0 HB3 HIS A 36 5.379 1.676 7.883 1.00 0.00 H new ATOM 0 HD2 HIS A 36 1.749 2.041 8.040 1.00 0.00 H new ATOM 0 HE1 HIS A 36 3.120 6.057 8.071 1.00 0.00 H new ATOM 0 HE2 HIS A 36 1.134 4.529 8.514 1.00 0.00 H new ATOM 606 N THR A 37 6.707 0.044 5.595 1.00 0.00 N ATOM 607 CA THR A 37 7.991 -0.644 5.550 1.00 0.00 C ATOM 608 C THR A 37 8.827 -0.130 4.388 1.00 0.00 C ATOM 609 O THR A 37 10.048 -0.005 4.492 1.00 0.00 O ATOM 610 CB THR A 37 7.807 -2.171 5.409 1.00 0.00 C ATOM 611 OG1 THR A 37 7.132 -2.689 6.562 1.00 0.00 O ATOM 612 CG2 THR A 37 9.147 -2.877 5.243 1.00 0.00 C ATOM 0 H THR A 37 5.898 -0.571 5.507 1.00 0.00 H new ATOM 0 HA THR A 37 8.504 -0.440 6.490 1.00 0.00 H new ATOM 0 HB THR A 37 7.209 -2.357 4.517 1.00 0.00 H new ATOM 0 HG1 THR A 37 6.164 -2.675 6.408 1.00 0.00 H new ATOM 0 HG21 THR A 37 8.983 -3.950 5.146 1.00 0.00 H new ATOM 0 HG22 THR A 37 9.646 -2.504 4.349 1.00 0.00 H new ATOM 0 HG23 THR A 37 9.771 -2.682 6.115 1.00 0.00 H new ATOM 620 N TYR A 38 8.156 0.174 3.282 1.00 0.00 N ATOM 621 CA TYR A 38 8.826 0.680 2.097 1.00 0.00 C ATOM 622 C TYR A 38 9.535 1.993 2.390 1.00 0.00 C ATOM 623 O TYR A 38 10.749 2.109 2.225 1.00 0.00 O ATOM 624 CB TYR A 38 7.811 0.899 0.979 1.00 0.00 C ATOM 625 CG TYR A 38 8.405 1.567 -0.234 1.00 0.00 C ATOM 626 CD1 TYR A 38 9.344 0.915 -1.019 1.00 0.00 C ATOM 627 CD2 TYR A 38 8.033 2.857 -0.583 1.00 0.00 C ATOM 628 CE1 TYR A 38 9.898 1.529 -2.124 1.00 0.00 C ATOM 629 CE2 TYR A 38 8.582 3.482 -1.684 1.00 0.00 C ATOM 630 CZ TYR A 38 9.516 2.814 -2.453 1.00 0.00 C ATOM 631 OH TYR A 38 10.067 3.433 -3.550 1.00 0.00 O ATOM 0 H TYR A 38 7.145 0.077 3.185 1.00 0.00 H new ATOM 0 HA TYR A 38 9.566 -0.058 1.788 1.00 0.00 H new ATOM 0 HB2 TYR A 38 7.388 -0.062 0.687 1.00 0.00 H new ATOM 0 HB3 TYR A 38 6.989 1.508 1.356 1.00 0.00 H new ATOM 0 HD1 TYR A 38 9.647 -0.089 -0.762 1.00 0.00 H new ATOM 0 HD2 TYR A 38 7.302 3.380 0.016 1.00 0.00 H new ATOM 0 HE1 TYR A 38 10.626 1.007 -2.728 1.00 0.00 H new ATOM 0 HE2 TYR A 38 8.284 4.487 -1.943 1.00 0.00 H new ATOM 0 HH TYR A 38 9.690 4.333 -3.642 1.00 0.00 H new ATOM 641 N GLN A 39 8.761 2.985 2.813 1.00 0.00 N ATOM 642 CA GLN A 39 9.308 4.304 3.115 1.00 0.00 C ATOM 643 C GLN A 39 10.308 4.261 4.270 1.00 0.00 C ATOM 644 O GLN A 39 11.300 4.987 4.261 1.00 0.00 O ATOM 645 CB GLN A 39 8.192 5.293 3.423 1.00 0.00 C ATOM 646 CG GLN A 39 7.349 5.633 2.207 1.00 0.00 C ATOM 647 CD GLN A 39 6.489 6.863 2.411 1.00 0.00 C ATOM 648 OE1 GLN A 39 5.685 7.221 1.552 1.00 0.00 O ATOM 649 NE2 GLN A 39 6.664 7.528 3.548 1.00 0.00 N ATOM 0 H GLN A 39 7.754 2.903 2.955 1.00 0.00 H new ATOM 0 HA GLN A 39 9.844 4.638 2.227 1.00 0.00 H new ATOM 0 HB2 GLN A 39 7.549 4.877 4.199 1.00 0.00 H new ATOM 0 HB3 GLN A 39 8.626 6.209 3.825 1.00 0.00 H new ATOM 0 HG2 GLN A 39 8.004 5.792 1.350 1.00 0.00 H new ATOM 0 HG3 GLN A 39 6.709 4.784 1.966 1.00 0.00 H new ATOM 0 HE21 GLN A 39 7.342 7.196 4.234 1.00 0.00 H new ATOM 0 HE22 GLN A 39 6.120 8.371 3.735 1.00 0.00 H new ATOM 658 N LYS A 40 10.040 3.415 5.263 1.00 0.00 N ATOM 659 CA LYS A 40 10.919 3.287 6.428 1.00 0.00 C ATOM 660 C LYS A 40 12.384 3.165 6.029 1.00 0.00 C ATOM 661 O LYS A 40 13.268 3.656 6.727 1.00 0.00 O ATOM 662 CB LYS A 40 10.526 2.072 7.270 1.00 0.00 C ATOM 663 CG LYS A 40 9.353 2.323 8.202 1.00 0.00 C ATOM 664 CD LYS A 40 9.045 1.099 9.051 1.00 0.00 C ATOM 665 CE LYS A 40 7.968 1.391 10.082 1.00 0.00 C ATOM 666 NZ LYS A 40 6.708 1.868 9.449 1.00 0.00 N ATOM 0 H LYS A 40 9.221 2.807 5.286 1.00 0.00 H new ATOM 0 HA LYS A 40 10.798 4.198 7.014 1.00 0.00 H new ATOM 0 HB2 LYS A 40 10.278 1.246 6.604 1.00 0.00 H new ATOM 0 HB3 LYS A 40 11.386 1.758 7.861 1.00 0.00 H new ATOM 0 HG2 LYS A 40 9.577 3.170 8.850 1.00 0.00 H new ATOM 0 HG3 LYS A 40 8.473 2.593 7.617 1.00 0.00 H new ATOM 0 HD2 LYS A 40 8.721 0.281 8.407 1.00 0.00 H new ATOM 0 HD3 LYS A 40 9.953 0.768 9.556 1.00 0.00 H new ATOM 0 HE2 LYS A 40 7.765 0.490 10.660 1.00 0.00 H new ATOM 0 HE3 LYS A 40 8.330 2.144 10.782 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 6.426 2.773 9.876 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 6.860 1.999 8.429 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 5.956 1.165 9.599 1.00 0.00 H new ATOM 680 N GLU A 41 12.641 2.493 4.918 1.00 0.00 N ATOM 681 CA GLU A 41 14.008 2.294 4.450 1.00 0.00 C ATOM 682 C GLU A 41 14.689 3.621 4.114 1.00 0.00 C ATOM 683 O GLU A 41 15.858 3.825 4.444 1.00 0.00 O ATOM 684 CB GLU A 41 14.021 1.379 3.224 1.00 0.00 C ATOM 685 CG GLU A 41 13.449 -0.005 3.491 1.00 0.00 C ATOM 686 CD GLU A 41 14.191 -0.743 4.587 1.00 0.00 C ATOM 687 OE1 GLU A 41 15.411 -0.968 4.431 1.00 0.00 O ATOM 688 OE2 GLU A 41 13.555 -1.095 5.602 1.00 0.00 O ATOM 0 H GLU A 41 11.925 2.076 4.323 1.00 0.00 H new ATOM 0 HA GLU A 41 14.567 1.824 5.260 1.00 0.00 H new ATOM 0 HB2 GLU A 41 13.451 1.850 2.423 1.00 0.00 H new ATOM 0 HB3 GLU A 41 15.046 1.277 2.868 1.00 0.00 H new ATOM 0 HG2 GLU A 41 12.399 0.088 3.768 1.00 0.00 H new ATOM 0 HG3 GLU A 41 13.486 -0.592 2.574 1.00 0.00 H new ATOM 695 N GLN A 42 13.964 4.515 3.449 1.00 0.00 N ATOM 696 CA GLN A 42 14.505 5.804 3.063 1.00 0.00 C ATOM 697 C GLN A 42 14.419 6.830 4.195 1.00 0.00 C ATOM 698 O GLN A 42 15.401 7.505 4.506 1.00 0.00 O ATOM 699 CB GLN A 42 13.762 6.325 1.835 1.00 0.00 C ATOM 700 CG GLN A 42 14.169 5.655 0.531 1.00 0.00 C ATOM 701 CD GLN A 42 13.641 4.240 0.385 1.00 0.00 C ATOM 702 OE1 GLN A 42 14.033 3.515 -0.529 1.00 0.00 O ATOM 703 NE2 GLN A 42 12.734 3.841 1.269 1.00 0.00 N ATOM 0 H GLN A 42 12.995 4.365 3.167 1.00 0.00 H new ATOM 0 HA GLN A 42 15.560 5.662 2.831 1.00 0.00 H new ATOM 0 HB2 GLN A 42 12.692 6.184 1.985 1.00 0.00 H new ATOM 0 HB3 GLN A 42 13.933 7.398 1.748 1.00 0.00 H new ATOM 0 HG2 GLN A 42 13.810 6.256 -0.304 1.00 0.00 H new ATOM 0 HG3 GLN A 42 15.257 5.637 0.466 1.00 0.00 H new ATOM 0 HE21 GLN A 42 12.435 4.472 2.013 1.00 0.00 H new ATOM 0 HE22 GLN A 42 12.337 2.904 1.204 1.00 0.00 H new ATOM 712 N LEU A 43 13.235 6.963 4.787 1.00 0.00 N ATOM 713 CA LEU A 43 13.014 7.929 5.862 1.00 0.00 C ATOM 714 C LEU A 43 13.674 7.514 7.175 1.00 0.00 C ATOM 715 O LEU A 43 13.388 8.096 8.221 1.00 0.00 O ATOM 716 CB LEU A 43 11.516 8.131 6.080 1.00 0.00 C ATOM 717 CG LEU A 43 10.763 8.731 4.891 1.00 0.00 C ATOM 718 CD1 LEU A 43 9.271 8.784 5.177 1.00 0.00 C ATOM 719 CD2 LEU A 43 11.294 10.121 4.569 1.00 0.00 C ATOM 0 H LEU A 43 12.412 6.413 4.541 1.00 0.00 H new ATOM 0 HA LEU A 43 13.479 8.864 5.550 1.00 0.00 H new ATOM 0 HB2 LEU A 43 11.067 7.169 6.326 1.00 0.00 H new ATOM 0 HB3 LEU A 43 11.374 8.779 6.945 1.00 0.00 H new ATOM 0 HG LEU A 43 10.925 8.091 4.023 1.00 0.00 H new ATOM 0 HD11 LEU A 43 8.751 9.214 4.321 1.00 0.00 H new ATOM 0 HD12 LEU A 43 8.899 7.776 5.359 1.00 0.00 H new ATOM 0 HD13 LEU A 43 9.091 9.401 6.057 1.00 0.00 H new ATOM 0 HD21 LEU A 43 10.747 10.532 3.721 1.00 0.00 H new ATOM 0 HD22 LEU A 43 11.163 10.770 5.435 1.00 0.00 H new ATOM 0 HD23 LEU A 43 12.353 10.057 4.321 1.00 0.00 H new ATOM 731 N HIS A 44 14.559 6.523 7.123 1.00 0.00 N ATOM 732 CA HIS A 44 15.250 6.054 8.324 1.00 0.00 C ATOM 733 C HIS A 44 16.593 5.421 7.975 1.00 0.00 C ATOM 734 O HIS A 44 16.984 4.410 8.557 1.00 0.00 O ATOM 735 CB HIS A 44 14.380 5.042 9.077 1.00 0.00 C ATOM 736 CG HIS A 44 13.147 5.638 9.684 1.00 0.00 C ATOM 737 ND1 HIS A 44 13.156 6.345 10.869 1.00 0.00 N ATOM 738 CD2 HIS A 44 11.865 5.655 9.248 1.00 0.00 C ATOM 739 CE1 HIS A 44 11.932 6.766 11.138 1.00 0.00 C ATOM 740 NE2 HIS A 44 11.131 6.360 10.170 1.00 0.00 N ATOM 0 H HIS A 44 14.815 6.030 6.268 1.00 0.00 H new ATOM 0 HA HIS A 44 15.433 6.918 8.963 1.00 0.00 H new ATOM 0 HB2 HIS A 44 14.088 4.247 8.391 1.00 0.00 H new ATOM 0 HB3 HIS A 44 14.975 4.581 9.865 1.00 0.00 H new ATOM 0 HD2 HIS A 44 11.490 5.199 8.344 1.00 0.00 H new ATOM 0 HE1 HIS A 44 11.638 7.343 12.002 1.00 0.00 H new ATOM 0 HE2 HIS A 44 10.129 6.541 10.116 1.00 0.00 H new ATOM 749 N THR A 45 17.301 6.030 7.031 1.00 0.00 N ATOM 750 CA THR A 45 18.606 5.530 6.617 1.00 0.00 C ATOM 751 C THR A 45 19.594 5.573 7.774 1.00 0.00 C ATOM 752 O THR A 45 19.684 6.575 8.484 1.00 0.00 O ATOM 753 CB THR A 45 19.179 6.350 5.448 1.00 0.00 C ATOM 754 OG1 THR A 45 19.176 7.744 5.779 1.00 0.00 O ATOM 755 CG2 THR A 45 18.376 6.119 4.176 1.00 0.00 C ATOM 0 H THR A 45 16.994 6.869 6.539 1.00 0.00 H new ATOM 0 HA THR A 45 18.462 4.499 6.293 1.00 0.00 H new ATOM 0 HB THR A 45 20.204 6.023 5.272 1.00 0.00 H new ATOM 0 HG1 THR A 45 19.220 7.849 6.752 1.00 0.00 H new ATOM 0 HG21 THR A 45 18.801 6.710 3.365 1.00 0.00 H new ATOM 0 HG22 THR A 45 18.410 5.062 3.911 1.00 0.00 H new ATOM 0 HG23 THR A 45 17.341 6.419 4.340 1.00 0.00 H new ATOM 763 N LYS A 46 20.337 4.487 7.960 1.00 0.00 N ATOM 764 CA LYS A 46 21.317 4.419 9.035 1.00 0.00 C ATOM 765 C LYS A 46 22.162 3.154 8.927 1.00 0.00 C ATOM 766 O LYS A 46 23.392 3.214 8.961 1.00 0.00 O ATOM 767 CB LYS A 46 20.611 4.460 10.392 1.00 0.00 C ATOM 768 CG LYS A 46 21.463 5.057 11.498 1.00 0.00 C ATOM 769 CD LYS A 46 21.799 6.510 11.204 1.00 0.00 C ATOM 770 CE LYS A 46 22.640 7.125 12.309 1.00 0.00 C ATOM 771 NZ LYS A 46 21.933 7.106 13.620 1.00 0.00 N ATOM 0 H LYS A 46 20.279 3.647 7.384 1.00 0.00 H new ATOM 0 HA LYS A 46 21.978 5.281 8.946 1.00 0.00 H new ATOM 0 HB2 LYS A 46 19.693 5.040 10.298 1.00 0.00 H new ATOM 0 HB3 LYS A 46 20.321 3.447 10.673 1.00 0.00 H new ATOM 0 HG2 LYS A 46 20.933 4.988 12.448 1.00 0.00 H new ATOM 0 HG3 LYS A 46 22.383 4.482 11.604 1.00 0.00 H new ATOM 0 HD2 LYS A 46 22.336 6.575 10.258 1.00 0.00 H new ATOM 0 HD3 LYS A 46 20.878 7.080 11.087 1.00 0.00 H new ATOM 0 HE2 LYS A 46 23.580 6.581 12.396 1.00 0.00 H new ATOM 0 HE3 LYS A 46 22.890 8.153 12.046 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 22.423 7.734 14.288 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 20.954 7.434 13.491 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 21.927 6.137 13.997 1.00 0.00 H new ATOM 785 N GLY A 47 21.498 2.008 8.794 1.00 0.00 N ATOM 786 CA GLY A 47 22.216 0.750 8.678 1.00 0.00 C ATOM 787 C GLY A 47 21.295 -0.455 8.624 1.00 0.00 C ATOM 788 O GLY A 47 21.643 -1.529 9.115 1.00 0.00 O ATOM 0 H GLY A 47 20.482 1.928 8.765 1.00 0.00 H new ATOM 0 HA2 GLY A 47 22.831 0.771 7.779 1.00 0.00 H new ATOM 0 HA3 GLY A 47 22.893 0.645 9.525 1.00 0.00 H new ATOM 792 N ARG A 48 20.125 -0.280 8.020 1.00 0.00 N ATOM 793 CA ARG A 48 19.160 -1.368 7.895 1.00 0.00 C ATOM 794 C ARG A 48 19.589 -2.359 6.815 1.00 0.00 C ATOM 795 O ARG A 48 20.117 -1.965 5.776 1.00 0.00 O ATOM 796 CB ARG A 48 17.765 -0.821 7.587 1.00 0.00 C ATOM 797 CG ARG A 48 17.082 -0.190 8.789 1.00 0.00 C ATOM 798 CD ARG A 48 15.689 0.310 8.441 1.00 0.00 C ATOM 799 NE ARG A 48 14.941 0.732 9.626 1.00 0.00 N ATOM 800 CZ ARG A 48 15.322 1.716 10.436 1.00 0.00 C ATOM 801 NH1 ARG A 48 16.438 2.391 10.194 1.00 0.00 N ATOM 802 NH2 ARG A 48 14.584 2.027 11.493 1.00 0.00 N ATOM 0 H ARG A 48 19.821 0.603 7.610 1.00 0.00 H new ATOM 0 HA ARG A 48 19.125 -1.894 8.849 1.00 0.00 H new ATOM 0 HB2 ARG A 48 17.842 -0.079 6.792 1.00 0.00 H new ATOM 0 HB3 ARG A 48 17.141 -1.631 7.208 1.00 0.00 H new ATOM 0 HG2 ARG A 48 17.016 -0.920 9.596 1.00 0.00 H new ATOM 0 HG3 ARG A 48 17.686 0.639 9.158 1.00 0.00 H new ATOM 0 HD2 ARG A 48 15.768 1.146 7.746 1.00 0.00 H new ATOM 0 HD3 ARG A 48 15.139 -0.479 7.928 1.00 0.00 H new ATOM 0 HE ARG A 48 14.074 0.241 9.844 1.00 0.00 H new ATOM 0 HH11 ARG A 48 17.010 2.157 9.383 1.00 0.00 H new ATOM 0 HH12 ARG A 48 16.724 3.144 10.819 1.00 0.00 H new ATOM 0 HH21 ARG A 48 13.725 1.512 11.685 1.00 0.00 H new ATOM 0 HH22 ARG A 48 14.876 2.781 12.114 1.00 0.00 H new ATOM 816 N PRO A 49 19.365 -3.666 7.047 1.00 0.00 N ATOM 817 CA PRO A 49 19.731 -4.713 6.088 1.00 0.00 C ATOM 818 C PRO A 49 19.086 -4.502 4.728 1.00 0.00 C ATOM 819 O PRO A 49 17.879 -4.288 4.622 1.00 0.00 O ATOM 820 CB PRO A 49 19.216 -6.007 6.735 1.00 0.00 C ATOM 821 CG PRO A 49 18.257 -5.569 7.790 1.00 0.00 C ATOM 822 CD PRO A 49 18.740 -4.226 8.255 1.00 0.00 C ATOM 0 HA PRO A 49 20.804 -4.724 5.896 1.00 0.00 H new ATOM 0 HB2 PRO A 49 18.726 -6.646 6.000 1.00 0.00 H new ATOM 0 HB3 PRO A 49 20.035 -6.585 7.164 1.00 0.00 H new ATOM 0 HG2 PRO A 49 17.244 -5.504 7.394 1.00 0.00 H new ATOM 0 HG3 PRO A 49 18.231 -6.282 8.614 1.00 0.00 H new ATOM 0 HD2 PRO A 49 17.920 -3.603 8.612 1.00 0.00 H new ATOM 0 HD3 PRO A 49 19.453 -4.315 9.075 1.00 0.00 H new ATOM 830 N PHE A 50 19.913 -4.560 3.693 1.00 0.00 N ATOM 831 CA PHE A 50 19.455 -4.374 2.324 1.00 0.00 C ATOM 832 C PHE A 50 18.845 -5.653 1.763 1.00 0.00 C ATOM 833 O PHE A 50 19.229 -6.118 0.690 1.00 0.00 O ATOM 834 CB PHE A 50 20.619 -3.926 1.447 1.00 0.00 C ATOM 835 CG PHE A 50 21.043 -2.500 1.671 1.00 0.00 C ATOM 836 CD1 PHE A 50 21.385 -2.049 2.938 1.00 0.00 C ATOM 837 CD2 PHE A 50 21.105 -1.611 0.610 1.00 0.00 C ATOM 838 CE1 PHE A 50 21.778 -0.739 3.140 1.00 0.00 C ATOM 839 CE2 PHE A 50 21.498 -0.300 0.805 1.00 0.00 C ATOM 840 CZ PHE A 50 21.835 0.136 2.072 1.00 0.00 C ATOM 0 H PHE A 50 20.914 -4.736 3.778 1.00 0.00 H new ATOM 0 HA PHE A 50 18.682 -3.606 2.327 1.00 0.00 H new ATOM 0 HB2 PHE A 50 21.471 -4.580 1.631 1.00 0.00 H new ATOM 0 HB3 PHE A 50 20.341 -4.051 0.401 1.00 0.00 H new ATOM 0 HD1 PHE A 50 21.344 -2.729 3.776 1.00 0.00 H new ATOM 0 HD2 PHE A 50 20.843 -1.947 -0.382 1.00 0.00 H new ATOM 0 HE1 PHE A 50 22.040 -0.400 4.131 1.00 0.00 H new ATOM 0 HE2 PHE A 50 21.542 0.382 -0.031 1.00 0.00 H new ATOM 0 HZ PHE A 50 22.143 1.160 2.227 1.00 0.00 H new ATOM 850 N ARG A 51 17.890 -6.213 2.491 1.00 0.00 N ATOM 851 CA ARG A 51 17.220 -7.436 2.063 1.00 0.00 C ATOM 852 C ARG A 51 16.197 -7.151 0.966 1.00 0.00 C ATOM 853 O ARG A 51 15.181 -7.837 0.857 1.00 0.00 O ATOM 854 CB ARG A 51 16.530 -8.105 3.248 1.00 0.00 C ATOM 855 CG ARG A 51 17.488 -8.630 4.296 1.00 0.00 C ATOM 856 CD ARG A 51 16.745 -9.223 5.482 1.00 0.00 C ATOM 857 NE ARG A 51 15.919 -8.229 6.162 1.00 0.00 N ATOM 858 CZ ARG A 51 15.160 -8.496 7.221 1.00 0.00 C ATOM 859 NH1 ARG A 51 15.114 -9.727 7.715 1.00 0.00 N ATOM 860 NH2 ARG A 51 14.446 -7.533 7.786 1.00 0.00 N ATOM 0 H ARG A 51 17.560 -5.841 3.382 1.00 0.00 H new ATOM 0 HA ARG A 51 17.979 -8.107 1.661 1.00 0.00 H new ATOM 0 HB2 ARG A 51 15.853 -7.389 3.714 1.00 0.00 H new ATOM 0 HB3 ARG A 51 15.919 -8.930 2.882 1.00 0.00 H new ATOM 0 HG2 ARG A 51 18.133 -9.389 3.853 1.00 0.00 H new ATOM 0 HG3 ARG A 51 18.134 -7.821 4.637 1.00 0.00 H new ATOM 0 HD2 ARG A 51 16.116 -10.045 5.141 1.00 0.00 H new ATOM 0 HD3 ARG A 51 17.463 -9.642 6.187 1.00 0.00 H new ATOM 0 HE ARG A 51 15.925 -7.274 5.804 1.00 0.00 H new ATOM 0 HH11 ARG A 51 15.662 -10.471 7.282 1.00 0.00 H new ATOM 0 HH12 ARG A 51 14.531 -9.929 8.527 1.00 0.00 H new ATOM 0 HH21 ARG A 51 14.478 -6.586 7.409 1.00 0.00 H new ATOM 0 HH22 ARG A 51 13.864 -7.739 8.598 1.00 0.00 H new ATOM 874 N GLY A 52 16.481 -6.139 0.156 1.00 0.00 N ATOM 875 CA GLY A 52 15.593 -5.769 -0.932 1.00 0.00 C ATOM 876 C GLY A 52 14.250 -5.263 -0.458 1.00 0.00 C ATOM 877 O GLY A 52 13.640 -5.836 0.446 1.00 0.00 O ATOM 0 H GLY A 52 17.319 -5.562 0.234 1.00 0.00 H new ATOM 0 HA2 GLY A 52 16.071 -4.999 -1.537 1.00 0.00 H new ATOM 0 HA3 GLY A 52 15.441 -6.633 -1.578 1.00 0.00 H new ATOM 881 N MET A 53 13.788 -4.177 -1.071 1.00 0.00 N ATOM 882 CA MET A 53 12.515 -3.585 -0.711 1.00 0.00 C ATOM 883 C MET A 53 12.099 -2.532 -1.729 1.00 0.00 C ATOM 884 O MET A 53 12.858 -1.609 -2.029 1.00 0.00 O ATOM 885 CB MET A 53 12.619 -2.961 0.670 1.00 0.00 C ATOM 886 CG MET A 53 11.275 -2.542 1.236 1.00 0.00 C ATOM 887 SD MET A 53 10.146 -3.933 1.439 1.00 0.00 S ATOM 888 CE MET A 53 8.646 -3.083 1.922 1.00 0.00 C ATOM 0 H MET A 53 14.282 -3.692 -1.820 1.00 0.00 H new ATOM 0 HA MET A 53 11.756 -4.367 -0.702 1.00 0.00 H new ATOM 0 HB2 MET A 53 13.087 -3.673 1.350 1.00 0.00 H new ATOM 0 HB3 MET A 53 13.273 -2.091 0.621 1.00 0.00 H new ATOM 0 HG2 MET A 53 11.426 -2.057 2.201 1.00 0.00 H new ATOM 0 HG3 MET A 53 10.821 -1.803 0.576 1.00 0.00 H new ATOM 0 HE1 MET A 53 8.133 -3.660 2.692 1.00 0.00 H new ATOM 0 HE2 MET A 53 8.896 -2.097 2.314 1.00 0.00 H new ATOM 0 HE3 MET A 53 7.994 -2.974 1.055 1.00 0.00 H new ATOM 898 N SER A 54 10.886 -2.677 -2.252 1.00 0.00 N ATOM 899 CA SER A 54 10.354 -1.743 -3.238 1.00 0.00 C ATOM 900 C SER A 54 8.917 -2.120 -3.598 1.00 0.00 C ATOM 901 O SER A 54 8.129 -2.474 -2.723 1.00 0.00 O ATOM 902 CB SER A 54 11.239 -1.734 -4.491 1.00 0.00 C ATOM 903 OG SER A 54 10.840 -0.718 -5.395 1.00 0.00 O ATOM 0 H SER A 54 10.250 -3.436 -2.008 1.00 0.00 H new ATOM 0 HA SER A 54 10.352 -0.741 -2.810 1.00 0.00 H new ATOM 0 HB2 SER A 54 12.279 -1.580 -4.203 1.00 0.00 H new ATOM 0 HB3 SER A 54 11.185 -2.705 -4.984 1.00 0.00 H new ATOM 0 HG SER A 54 11.422 -0.734 -6.183 1.00 0.00 H new ATOM 909 N GLU A 55 8.582 -2.051 -4.882 1.00 0.00 N ATOM 910 CA GLU A 55 7.246 -2.389 -5.344 1.00 0.00 C ATOM 911 C GLU A 55 7.015 -3.898 -5.296 1.00 0.00 C ATOM 912 O GLU A 55 5.898 -4.353 -5.051 1.00 0.00 O ATOM 913 CB GLU A 55 7.042 -1.847 -6.762 1.00 0.00 C ATOM 914 CG GLU A 55 6.547 -2.882 -7.750 1.00 0.00 C ATOM 915 CD GLU A 55 6.346 -2.319 -9.144 1.00 0.00 C ATOM 916 OE1 GLU A 55 6.597 -1.111 -9.340 1.00 0.00 O ATOM 917 OE2 GLU A 55 5.936 -3.086 -10.041 1.00 0.00 O ATOM 0 H GLU A 55 9.222 -1.763 -5.622 1.00 0.00 H new ATOM 0 HA GLU A 55 6.515 -1.927 -4.680 1.00 0.00 H new ATOM 0 HB2 GLU A 55 6.329 -1.023 -6.726 1.00 0.00 H new ATOM 0 HB3 GLU A 55 7.985 -1.437 -7.123 1.00 0.00 H new ATOM 0 HG2 GLU A 55 7.261 -3.704 -7.795 1.00 0.00 H new ATOM 0 HG3 GLU A 55 5.605 -3.297 -7.392 1.00 0.00 H new ATOM 924 N GLU A 56 8.069 -4.666 -5.548 1.00 0.00 N ATOM 925 CA GLU A 56 7.973 -6.123 -5.549 1.00 0.00 C ATOM 926 C GLU A 56 7.515 -6.670 -4.197 1.00 0.00 C ATOM 927 O GLU A 56 6.578 -7.467 -4.133 1.00 0.00 O ATOM 928 CB GLU A 56 9.319 -6.743 -5.936 1.00 0.00 C ATOM 929 CG GLU A 56 10.474 -6.321 -5.042 1.00 0.00 C ATOM 930 CD GLU A 56 11.786 -6.970 -5.437 1.00 0.00 C ATOM 931 OE1 GLU A 56 11.794 -7.751 -6.412 1.00 0.00 O ATOM 932 OE2 GLU A 56 12.807 -6.698 -4.772 1.00 0.00 O ATOM 0 H GLU A 56 9.000 -4.305 -5.754 1.00 0.00 H new ATOM 0 HA GLU A 56 7.220 -6.398 -6.288 1.00 0.00 H new ATOM 0 HB2 GLU A 56 9.229 -7.829 -5.907 1.00 0.00 H new ATOM 0 HB3 GLU A 56 9.551 -6.469 -6.965 1.00 0.00 H new ATOM 0 HG2 GLU A 56 10.583 -5.237 -5.083 1.00 0.00 H new ATOM 0 HG3 GLU A 56 10.242 -6.580 -4.009 1.00 0.00 H new ATOM 939 N GLU A 57 8.178 -6.255 -3.120 1.00 0.00 N ATOM 940 CA GLU A 57 7.825 -6.732 -1.784 1.00 0.00 C ATOM 941 C GLU A 57 6.458 -6.215 -1.352 1.00 0.00 C ATOM 942 O GLU A 57 5.602 -6.990 -0.936 1.00 0.00 O ATOM 943 CB GLU A 57 8.870 -6.309 -0.754 1.00 0.00 C ATOM 944 CG GLU A 57 8.598 -6.870 0.635 1.00 0.00 C ATOM 945 CD GLU A 57 8.850 -8.364 0.722 1.00 0.00 C ATOM 946 OE1 GLU A 57 9.263 -8.960 -0.296 1.00 0.00 O ATOM 947 OE2 GLU A 57 8.635 -8.939 1.810 1.00 0.00 O ATOM 0 H GLU A 57 8.956 -5.596 -3.144 1.00 0.00 H new ATOM 0 HA GLU A 57 7.792 -7.820 -1.835 1.00 0.00 H new ATOM 0 HB2 GLU A 57 9.854 -6.639 -1.087 1.00 0.00 H new ATOM 0 HB3 GLU A 57 8.900 -5.221 -0.701 1.00 0.00 H new ATOM 0 HG2 GLU A 57 9.229 -6.356 1.360 1.00 0.00 H new ATOM 0 HG3 GLU A 57 7.564 -6.663 0.910 1.00 0.00 H new ATOM 954 N VAL A 58 6.267 -4.903 -1.444 1.00 0.00 N ATOM 955 CA VAL A 58 5.004 -4.288 -1.051 1.00 0.00 C ATOM 956 C VAL A 58 3.828 -4.952 -1.758 1.00 0.00 C ATOM 957 O VAL A 58 2.795 -5.218 -1.145 1.00 0.00 O ATOM 958 CB VAL A 58 4.994 -2.775 -1.350 1.00 0.00 C ATOM 959 CG1 VAL A 58 3.650 -2.164 -0.983 1.00 0.00 C ATOM 960 CG2 VAL A 58 6.123 -2.078 -0.601 1.00 0.00 C ATOM 0 H VAL A 58 6.969 -4.246 -1.786 1.00 0.00 H new ATOM 0 HA VAL A 58 4.902 -4.432 0.025 1.00 0.00 H new ATOM 0 HB VAL A 58 5.151 -2.634 -2.419 1.00 0.00 H new ATOM 0 HG11 VAL A 58 3.664 -1.096 -1.202 1.00 0.00 H new ATOM 0 HG12 VAL A 58 2.862 -2.643 -1.564 1.00 0.00 H new ATOM 0 HG13 VAL A 58 3.460 -2.314 0.080 1.00 0.00 H new ATOM 0 HG21 VAL A 58 6.102 -1.011 -0.823 1.00 0.00 H new ATOM 0 HG22 VAL A 58 5.996 -2.229 0.471 1.00 0.00 H new ATOM 0 HG23 VAL A 58 7.080 -2.495 -0.915 1.00 0.00 H new ATOM 970 N PHE A 59 3.994 -5.226 -3.047 1.00 0.00 N ATOM 971 CA PHE A 59 2.947 -5.870 -3.828 1.00 0.00 C ATOM 972 C PHE A 59 2.670 -7.270 -3.294 1.00 0.00 C ATOM 973 O PHE A 59 1.522 -7.713 -3.245 1.00 0.00 O ATOM 974 CB PHE A 59 3.348 -5.942 -5.305 1.00 0.00 C ATOM 975 CG PHE A 59 2.305 -6.570 -6.188 1.00 0.00 C ATOM 976 CD1 PHE A 59 0.980 -6.165 -6.121 1.00 0.00 C ATOM 977 CD2 PHE A 59 2.651 -7.565 -7.087 1.00 0.00 C ATOM 978 CE1 PHE A 59 0.022 -6.739 -6.933 1.00 0.00 C ATOM 979 CE2 PHE A 59 1.697 -8.144 -7.903 1.00 0.00 C ATOM 980 CZ PHE A 59 0.381 -7.731 -7.826 1.00 0.00 C ATOM 0 H PHE A 59 4.842 -5.012 -3.572 1.00 0.00 H new ATOM 0 HA PHE A 59 2.038 -5.274 -3.740 1.00 0.00 H new ATOM 0 HB2 PHE A 59 3.556 -4.934 -5.665 1.00 0.00 H new ATOM 0 HB3 PHE A 59 4.274 -6.510 -5.393 1.00 0.00 H new ATOM 0 HD1 PHE A 59 0.694 -5.391 -5.425 1.00 0.00 H new ATOM 0 HD2 PHE A 59 3.678 -7.892 -7.151 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -1.006 -6.413 -6.870 1.00 0.00 H new ATOM 0 HE2 PHE A 59 1.980 -8.919 -8.600 1.00 0.00 H new ATOM 0 HZ PHE A 59 -0.366 -8.182 -8.462 1.00 0.00 H new ATOM 990 N THR A 60 3.733 -7.964 -2.902 1.00 0.00 N ATOM 991 CA THR A 60 3.616 -9.318 -2.377 1.00 0.00 C ATOM 992 C THR A 60 2.921 -9.342 -1.017 1.00 0.00 C ATOM 993 O THR A 60 2.002 -10.128 -0.800 1.00 0.00 O ATOM 994 CB THR A 60 4.997 -9.987 -2.247 1.00 0.00 C ATOM 995 OG1 THR A 60 5.654 -10.010 -3.520 1.00 0.00 O ATOM 996 CG2 THR A 60 4.864 -11.407 -1.717 1.00 0.00 C ATOM 0 H THR A 60 4.688 -7.609 -2.939 1.00 0.00 H new ATOM 0 HA THR A 60 3.009 -9.875 -3.091 1.00 0.00 H new ATOM 0 HB THR A 60 5.591 -9.405 -1.542 1.00 0.00 H new ATOM 0 HG1 THR A 60 5.979 -9.111 -3.737 1.00 0.00 H new ATOM 0 HG21 THR A 60 5.853 -11.858 -1.634 1.00 0.00 H new ATOM 0 HG22 THR A 60 4.391 -11.386 -0.735 1.00 0.00 H new ATOM 0 HG23 THR A 60 4.253 -11.995 -2.402 1.00 0.00 H new ATOM 1004 N GLU A 61 3.368 -8.480 -0.106 1.00 0.00 N ATOM 1005 CA GLU A 61 2.794 -8.407 1.232 1.00 0.00 C ATOM 1006 C GLU A 61 1.298 -8.128 1.165 1.00 0.00 C ATOM 1007 O GLU A 61 0.507 -8.781 1.845 1.00 0.00 O ATOM 1008 CB GLU A 61 3.500 -7.329 2.056 1.00 0.00 C ATOM 1009 CG GLU A 61 4.988 -7.588 2.238 1.00 0.00 C ATOM 1010 CD GLU A 61 5.665 -6.546 3.109 1.00 0.00 C ATOM 1011 OE1 GLU A 61 4.969 -5.630 3.593 1.00 0.00 O ATOM 1012 OE2 GLU A 61 6.894 -6.649 3.309 1.00 0.00 O ATOM 0 H GLU A 61 4.129 -7.821 -0.273 1.00 0.00 H new ATOM 0 HA GLU A 61 2.940 -9.371 1.719 1.00 0.00 H new ATOM 0 HB2 GLU A 61 3.363 -6.363 1.570 1.00 0.00 H new ATOM 0 HB3 GLU A 61 3.027 -7.263 3.036 1.00 0.00 H new ATOM 0 HG2 GLU A 61 5.129 -8.573 2.683 1.00 0.00 H new ATOM 0 HG3 GLU A 61 5.471 -7.607 1.261 1.00 0.00 H new ATOM 1019 N VAL A 62 0.911 -7.166 0.332 1.00 0.00 N ATOM 1020 CA VAL A 62 -0.496 -6.828 0.175 1.00 0.00 C ATOM 1021 C VAL A 62 -1.247 -8.010 -0.426 1.00 0.00 C ATOM 1022 O VAL A 62 -2.359 -8.330 -0.007 1.00 0.00 O ATOM 1023 CB VAL A 62 -0.694 -5.586 -0.717 1.00 0.00 C ATOM 1024 CG1 VAL A 62 -2.173 -5.264 -0.864 1.00 0.00 C ATOM 1025 CG2 VAL A 62 0.060 -4.393 -0.146 1.00 0.00 C ATOM 0 H VAL A 62 1.548 -6.612 -0.240 1.00 0.00 H new ATOM 0 HA VAL A 62 -0.891 -6.597 1.164 1.00 0.00 H new ATOM 0 HB VAL A 62 -0.291 -5.805 -1.706 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -2.293 -4.385 -1.497 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -2.686 -6.111 -1.319 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -2.601 -5.065 0.118 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -0.091 -3.526 -0.789 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -0.312 -4.173 0.855 1.00 0.00 H new ATOM 0 HG23 VAL A 62 1.124 -4.626 -0.095 1.00 0.00 H new ATOM 1035 N ALA A 63 -0.619 -8.667 -1.399 1.00 0.00 N ATOM 1036 CA ALA A 63 -1.212 -9.831 -2.045 1.00 0.00 C ATOM 1037 C ALA A 63 -1.450 -10.932 -1.020 1.00 0.00 C ATOM 1038 O ALA A 63 -2.475 -11.614 -1.042 1.00 0.00 O ATOM 1039 CB ALA A 63 -0.315 -10.331 -3.168 1.00 0.00 C ATOM 0 H ALA A 63 0.301 -8.411 -1.756 1.00 0.00 H new ATOM 0 HA ALA A 63 -2.170 -9.543 -2.477 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -0.773 -11.201 -3.640 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -0.186 -9.542 -3.909 1.00 0.00 H new ATOM 0 HB3 ALA A 63 0.657 -10.609 -2.761 1.00 0.00 H new ATOM 1045 N ASN A 64 -0.489 -11.086 -0.113 1.00 0.00 N ATOM 1046 CA ASN A 64 -0.570 -12.085 0.943 1.00 0.00 C ATOM 1047 C ASN A 64 -1.733 -11.781 1.884 1.00 0.00 C ATOM 1048 O ASN A 64 -2.460 -12.683 2.302 1.00 0.00 O ATOM 1049 CB ASN A 64 0.749 -12.135 1.719 1.00 0.00 C ATOM 1050 CG ASN A 64 1.873 -12.757 0.910 1.00 0.00 C ATOM 1051 OD1 ASN A 64 1.751 -13.883 0.428 1.00 0.00 O ATOM 1052 ND2 ASN A 64 2.980 -12.034 0.761 1.00 0.00 N ATOM 0 H ASN A 64 0.362 -10.524 -0.091 1.00 0.00 H new ATOM 0 HA ASN A 64 -0.747 -13.060 0.488 1.00 0.00 H new ATOM 0 HB2 ASN A 64 1.033 -11.125 2.013 1.00 0.00 H new ATOM 0 HB3 ASN A 64 0.606 -12.706 2.636 1.00 0.00 H new ATOM 0 HD21 ASN A 64 3.767 -12.409 0.231 1.00 0.00 H new ATOM 0 HD22 ASN A 64 3.042 -11.104 1.176 1.00 0.00 H new ATOM 1059 N LEU A 65 -1.907 -10.502 2.202 1.00 0.00 N ATOM 1060 CA LEU A 65 -2.983 -10.062 3.080 1.00 0.00 C ATOM 1061 C LEU A 65 -4.346 -10.335 2.463 1.00 0.00 C ATOM 1062 O LEU A 65 -5.144 -11.108 2.993 1.00 0.00 O ATOM 1063 CB LEU A 65 -2.852 -8.564 3.331 1.00 0.00 C ATOM 1064 CG LEU A 65 -2.251 -8.164 4.673 1.00 0.00 C ATOM 1065 CD1 LEU A 65 -2.059 -6.660 4.714 1.00 0.00 C ATOM 1066 CD2 LEU A 65 -3.148 -8.621 5.813 1.00 0.00 C ATOM 0 H LEU A 65 -1.311 -9.748 1.861 1.00 0.00 H new ATOM 0 HA LEU A 65 -2.904 -10.617 4.015 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -2.240 -8.135 2.538 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -3.841 -8.114 3.249 1.00 0.00 H new ATOM 0 HG LEU A 65 -1.282 -8.648 4.791 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -1.629 -6.374 5.674 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -1.387 -6.357 3.911 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -3.023 -6.167 4.587 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -2.705 -8.328 6.765 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -4.130 -8.158 5.712 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -3.253 -9.705 5.781 1.00 0.00 H new ATOM 1078 N PHE A 66 -4.602 -9.668 1.345 1.00 0.00 N ATOM 1079 CA PHE A 66 -5.867 -9.795 0.632 1.00 0.00 C ATOM 1080 C PHE A 66 -5.964 -11.123 -0.118 1.00 0.00 C ATOM 1081 O PHE A 66 -6.460 -11.166 -1.245 1.00 0.00 O ATOM 1082 CB PHE A 66 -6.022 -8.643 -0.365 1.00 0.00 C ATOM 1083 CG PHE A 66 -6.038 -7.264 0.247 1.00 0.00 C ATOM 1084 CD1 PHE A 66 -5.894 -7.075 1.616 1.00 0.00 C ATOM 1085 CD2 PHE A 66 -6.192 -6.150 -0.564 1.00 0.00 C ATOM 1086 CE1 PHE A 66 -5.905 -5.805 2.160 1.00 0.00 C ATOM 1087 CE2 PHE A 66 -6.204 -4.878 -0.024 1.00 0.00 C ATOM 1088 CZ PHE A 66 -6.061 -4.705 1.338 1.00 0.00 C ATOM 0 H PHE A 66 -3.941 -9.026 0.908 1.00 0.00 H new ATOM 0 HA PHE A 66 -6.666 -9.761 1.373 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -5.206 -8.694 -1.085 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -6.948 -8.787 -0.922 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -5.772 -7.931 2.263 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -6.304 -6.278 -1.631 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -5.792 -5.672 3.226 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -6.325 -4.019 -0.668 1.00 0.00 H new ATOM 0 HZ PHE A 66 -6.071 -3.711 1.761 1.00 0.00 H new ATOM 1098 N ARG A 67 -5.496 -12.203 0.500 1.00 0.00 N ATOM 1099 CA ARG A 67 -5.549 -13.514 -0.134 1.00 0.00 C ATOM 1100 C ARG A 67 -6.990 -13.885 -0.461 1.00 0.00 C ATOM 1101 O ARG A 67 -7.881 -13.755 0.378 1.00 0.00 O ATOM 1102 CB ARG A 67 -4.913 -14.573 0.770 1.00 0.00 C ATOM 1103 CG ARG A 67 -4.925 -15.972 0.176 1.00 0.00 C ATOM 1104 CD ARG A 67 -4.178 -16.976 1.048 1.00 0.00 C ATOM 1105 NE ARG A 67 -4.781 -17.138 2.371 1.00 0.00 N ATOM 1106 CZ ARG A 67 -4.545 -16.332 3.407 1.00 0.00 C ATOM 1107 NH1 ARG A 67 -3.676 -15.337 3.296 1.00 0.00 N ATOM 1108 NH2 ARG A 67 -5.166 -16.535 4.560 1.00 0.00 N ATOM 0 H ARG A 67 -5.079 -12.196 1.431 1.00 0.00 H new ATOM 0 HA ARG A 67 -4.982 -13.473 -1.064 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -3.883 -14.286 0.981 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -5.441 -14.588 1.723 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -5.956 -16.301 0.048 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -4.473 -15.948 -0.815 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -4.155 -17.942 0.544 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -3.144 -16.652 1.163 1.00 0.00 H new ATOM 0 HE ARG A 67 -5.424 -17.918 2.510 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -3.184 -15.185 2.415 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -3.499 -14.723 4.091 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -5.825 -17.308 4.655 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -4.985 -15.918 5.352 1.00 0.00 H new ATOM 1122 N GLY A 68 -7.211 -14.331 -1.693 1.00 0.00 N ATOM 1123 CA GLY A 68 -8.548 -14.693 -2.120 1.00 0.00 C ATOM 1124 C GLY A 68 -9.362 -13.479 -2.527 1.00 0.00 C ATOM 1125 O GLY A 68 -10.053 -13.500 -3.547 1.00 0.00 O ATOM 0 H GLY A 68 -6.488 -14.448 -2.403 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -8.486 -15.386 -2.959 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -9.058 -15.217 -1.311 1.00 0.00 H new ATOM 1129 N GLN A 69 -9.271 -12.415 -1.733 1.00 0.00 N ATOM 1130 CA GLN A 69 -9.993 -11.179 -2.016 1.00 0.00 C ATOM 1131 C GLN A 69 -9.187 -10.293 -2.963 1.00 0.00 C ATOM 1132 O GLN A 69 -8.940 -9.121 -2.677 1.00 0.00 O ATOM 1133 CB GLN A 69 -10.292 -10.430 -0.715 1.00 0.00 C ATOM 1134 CG GLN A 69 -11.140 -11.229 0.260 1.00 0.00 C ATOM 1135 CD GLN A 69 -11.420 -10.477 1.546 1.00 0.00 C ATOM 1136 OE1 GLN A 69 -12.034 -9.411 1.534 1.00 0.00 O ATOM 1137 NE2 GLN A 69 -10.967 -11.031 2.665 1.00 0.00 N ATOM 0 H GLN A 69 -8.703 -12.385 -0.887 1.00 0.00 H new ATOM 0 HA GLN A 69 -10.937 -11.433 -2.499 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -9.351 -10.164 -0.233 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -10.804 -9.497 -0.951 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -12.085 -11.490 -0.216 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -10.632 -12.165 0.494 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -10.463 -11.917 2.628 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -11.124 -10.571 3.562 1.00 0.00 H new ATOM 1146 N GLU A 70 -8.772 -10.870 -4.087 1.00 0.00 N ATOM 1147 CA GLU A 70 -7.981 -10.146 -5.079 1.00 0.00 C ATOM 1148 C GLU A 70 -8.765 -8.994 -5.707 1.00 0.00 C ATOM 1149 O GLU A 70 -8.246 -8.288 -6.573 1.00 0.00 O ATOM 1150 CB GLU A 70 -7.510 -11.101 -6.177 1.00 0.00 C ATOM 1151 CG GLU A 70 -6.642 -12.240 -5.669 1.00 0.00 C ATOM 1152 CD GLU A 70 -6.188 -13.167 -6.781 1.00 0.00 C ATOM 1153 OE1 GLU A 70 -6.551 -12.915 -7.950 1.00 0.00 O ATOM 1154 OE2 GLU A 70 -5.469 -14.142 -6.483 1.00 0.00 O ATOM 0 H GLU A 70 -8.971 -11.839 -4.335 1.00 0.00 H new ATOM 0 HA GLU A 70 -7.120 -9.724 -4.561 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -8.382 -11.518 -6.681 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -6.951 -10.535 -6.922 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -5.768 -11.829 -5.164 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -7.198 -12.813 -4.927 1.00 0.00 H new ATOM 1161 N ASP A 71 -10.008 -8.798 -5.272 1.00 0.00 N ATOM 1162 CA ASP A 71 -10.833 -7.720 -5.807 1.00 0.00 C ATOM 1163 C ASP A 71 -10.180 -6.372 -5.518 1.00 0.00 C ATOM 1164 O ASP A 71 -10.037 -5.532 -6.406 1.00 0.00 O ATOM 1165 CB ASP A 71 -12.241 -7.767 -5.208 1.00 0.00 C ATOM 1166 CG ASP A 71 -12.238 -7.619 -3.699 1.00 0.00 C ATOM 1167 OD1 ASP A 71 -11.631 -8.471 -3.018 1.00 0.00 O ATOM 1168 OD2 ASP A 71 -12.845 -6.649 -3.198 1.00 0.00 O ATOM 0 H ASP A 71 -10.462 -9.366 -4.557 1.00 0.00 H new ATOM 0 HA ASP A 71 -10.917 -7.850 -6.886 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -12.845 -6.972 -5.646 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -12.714 -8.712 -5.476 1.00 0.00 H new ATOM 1173 N LEU A 72 -9.767 -6.191 -4.270 1.00 0.00 N ATOM 1174 CA LEU A 72 -9.103 -4.967 -3.843 1.00 0.00 C ATOM 1175 C LEU A 72 -7.694 -4.911 -4.420 1.00 0.00 C ATOM 1176 O LEU A 72 -7.174 -3.840 -4.744 1.00 0.00 O ATOM 1177 CB LEU A 72 -9.046 -4.916 -2.316 1.00 0.00 C ATOM 1178 CG LEU A 72 -10.407 -4.910 -1.622 1.00 0.00 C ATOM 1179 CD1 LEU A 72 -10.251 -5.152 -0.128 1.00 0.00 C ATOM 1180 CD2 LEU A 72 -11.119 -3.590 -1.877 1.00 0.00 C ATOM 0 H LEU A 72 -9.882 -6.884 -3.530 1.00 0.00 H new ATOM 0 HA LEU A 72 -9.667 -4.108 -4.207 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -8.476 -5.774 -1.959 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -8.498 -4.023 -2.017 1.00 0.00 H new ATOM 0 HG LEU A 72 -11.010 -5.719 -2.035 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -11.232 -5.144 0.346 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -9.777 -6.120 0.036 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -9.632 -4.366 0.305 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -12.088 -3.597 -1.378 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -10.516 -2.770 -1.487 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -11.264 -3.456 -2.949 1.00 0.00 H new ATOM 1192 N LEU A 73 -7.088 -6.086 -4.545 1.00 0.00 N ATOM 1193 CA LEU A 73 -5.750 -6.221 -5.073 1.00 0.00 C ATOM 1194 C LEU A 73 -5.638 -5.546 -6.430 1.00 0.00 C ATOM 1195 O LEU A 73 -4.665 -4.849 -6.715 1.00 0.00 O ATOM 1196 CB LEU A 73 -5.433 -7.704 -5.203 1.00 0.00 C ATOM 1197 CG LEU A 73 -4.101 -8.152 -4.604 1.00 0.00 C ATOM 1198 CD1 LEU A 73 -2.964 -7.253 -5.058 1.00 0.00 C ATOM 1199 CD2 LEU A 73 -4.197 -8.167 -3.093 1.00 0.00 C ATOM 0 H LEU A 73 -7.519 -6.971 -4.280 1.00 0.00 H new ATOM 0 HA LEU A 73 -5.041 -5.740 -4.399 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -6.233 -8.271 -4.727 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -5.441 -7.967 -6.261 1.00 0.00 H new ATOM 0 HG LEU A 73 -3.886 -9.160 -4.958 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -2.029 -7.597 -4.615 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -2.885 -7.287 -6.145 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -3.161 -6.229 -4.740 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -3.244 -8.487 -2.671 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -4.435 -7.166 -2.734 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -4.981 -8.859 -2.785 1.00 0.00 H new ATOM 1211 N SER A 74 -6.652 -5.761 -7.260 1.00 0.00 N ATOM 1212 CA SER A 74 -6.692 -5.179 -8.591 1.00 0.00 C ATOM 1213 C SER A 74 -6.518 -3.668 -8.523 1.00 0.00 C ATOM 1214 O SER A 74 -5.818 -3.077 -9.344 1.00 0.00 O ATOM 1215 CB SER A 74 -8.019 -5.522 -9.267 1.00 0.00 C ATOM 1216 OG SER A 74 -8.074 -5.003 -10.583 1.00 0.00 O ATOM 0 H SER A 74 -7.461 -6.338 -7.030 1.00 0.00 H new ATOM 0 HA SER A 74 -5.871 -5.594 -9.176 1.00 0.00 H new ATOM 0 HB2 SER A 74 -8.147 -6.604 -9.295 1.00 0.00 H new ATOM 0 HB3 SER A 74 -8.844 -5.119 -8.680 1.00 0.00 H new ATOM 0 HG SER A 74 -8.933 -5.239 -10.992 1.00 0.00 H new ATOM 1222 N GLU A 75 -7.154 -3.050 -7.531 1.00 0.00 N ATOM 1223 CA GLU A 75 -7.061 -1.608 -7.351 1.00 0.00 C ATOM 1224 C GLU A 75 -5.624 -1.201 -7.044 1.00 0.00 C ATOM 1225 O GLU A 75 -5.098 -0.254 -7.628 1.00 0.00 O ATOM 1226 CB GLU A 75 -7.990 -1.152 -6.226 1.00 0.00 C ATOM 1227 CG GLU A 75 -9.453 -1.484 -6.470 1.00 0.00 C ATOM 1228 CD GLU A 75 -10.350 -1.029 -5.336 1.00 0.00 C ATOM 1229 OE1 GLU A 75 -10.378 0.188 -5.053 1.00 0.00 O ATOM 1230 OE2 GLU A 75 -11.025 -1.888 -4.731 1.00 0.00 O ATOM 0 H GLU A 75 -7.737 -3.526 -6.842 1.00 0.00 H new ATOM 0 HA GLU A 75 -7.369 -1.124 -8.278 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -7.672 -1.617 -5.293 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -7.888 -0.075 -6.096 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -9.779 -1.013 -7.398 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -9.560 -2.560 -6.604 1.00 0.00 H new ATOM 1237 N PHE A 76 -4.993 -1.931 -6.128 1.00 0.00 N ATOM 1238 CA PHE A 76 -3.611 -1.656 -5.747 1.00 0.00 C ATOM 1239 C PHE A 76 -2.696 -1.724 -6.966 1.00 0.00 C ATOM 1240 O PHE A 76 -1.834 -0.868 -7.162 1.00 0.00 O ATOM 1241 CB PHE A 76 -3.146 -2.661 -4.689 1.00 0.00 C ATOM 1242 CG PHE A 76 -1.742 -2.434 -4.193 1.00 0.00 C ATOM 1243 CD1 PHE A 76 -1.272 -1.152 -3.948 1.00 0.00 C ATOM 1244 CD2 PHE A 76 -0.895 -3.508 -3.964 1.00 0.00 C ATOM 1245 CE1 PHE A 76 0.014 -0.946 -3.487 1.00 0.00 C ATOM 1246 CE2 PHE A 76 0.393 -3.307 -3.502 1.00 0.00 C ATOM 1247 CZ PHE A 76 0.848 -2.025 -3.264 1.00 0.00 C ATOM 0 H PHE A 76 -5.417 -2.717 -5.636 1.00 0.00 H new ATOM 0 HA PHE A 76 -3.562 -0.650 -5.329 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -3.829 -2.620 -3.841 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -3.214 -3.666 -5.105 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -1.919 -0.305 -4.120 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -1.245 -4.513 -4.149 1.00 0.00 H new ATOM 0 HE1 PHE A 76 0.367 0.058 -3.301 1.00 0.00 H new ATOM 0 HE2 PHE A 76 1.043 -4.152 -3.327 1.00 0.00 H new ATOM 0 HZ PHE A 76 1.854 -1.866 -2.904 1.00 0.00 H new ATOM 1257 N GLY A 77 -2.896 -2.757 -7.779 1.00 0.00 N ATOM 1258 CA GLY A 77 -2.092 -2.943 -8.973 1.00 0.00 C ATOM 1259 C GLY A 77 -2.231 -1.803 -9.967 1.00 0.00 C ATOM 1260 O GLY A 77 -1.301 -1.520 -10.721 1.00 0.00 O ATOM 0 H GLY A 77 -3.606 -3.474 -7.630 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -1.045 -3.042 -8.687 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -2.380 -3.876 -9.457 1.00 0.00 H new ATOM 1264 N GLN A 78 -3.397 -1.161 -9.979 1.00 0.00 N ATOM 1265 CA GLN A 78 -3.658 -0.055 -10.900 1.00 0.00 C ATOM 1266 C GLN A 78 -2.512 0.953 -10.902 1.00 0.00 C ATOM 1267 O GLN A 78 -1.994 1.315 -11.959 1.00 0.00 O ATOM 1268 CB GLN A 78 -4.963 0.649 -10.525 1.00 0.00 C ATOM 1269 CG GLN A 78 -6.182 -0.260 -10.561 1.00 0.00 C ATOM 1270 CD GLN A 78 -6.474 -0.798 -11.947 1.00 0.00 C ATOM 1271 OE1 GLN A 78 -5.652 -1.492 -12.546 1.00 0.00 O ATOM 1272 NE2 GLN A 78 -7.654 -0.482 -12.464 1.00 0.00 N ATOM 0 H GLN A 78 -4.177 -1.387 -9.362 1.00 0.00 H new ATOM 0 HA GLN A 78 -3.745 -0.474 -11.903 1.00 0.00 H new ATOM 0 HB2 GLN A 78 -4.864 1.069 -9.524 1.00 0.00 H new ATOM 0 HB3 GLN A 78 -5.124 1.484 -11.207 1.00 0.00 H new ATOM 0 HG2 GLN A 78 -6.027 -1.095 -9.878 1.00 0.00 H new ATOM 0 HG3 GLN A 78 -7.051 0.291 -10.200 1.00 0.00 H new ATOM 0 HE21 GLN A 78 -8.305 0.096 -11.933 1.00 0.00 H new ATOM 0 HE22 GLN A 78 -7.910 -0.817 -13.393 1.00 0.00 H new ATOM 1281 N PHE A 79 -2.120 1.401 -9.714 1.00 0.00 N ATOM 1282 CA PHE A 79 -1.032 2.366 -9.583 1.00 0.00 C ATOM 1283 C PHE A 79 0.306 1.732 -9.950 1.00 0.00 C ATOM 1284 O PHE A 79 1.123 2.341 -10.643 1.00 0.00 O ATOM 1285 CB PHE A 79 -0.973 2.920 -8.156 1.00 0.00 C ATOM 1286 CG PHE A 79 -2.126 3.822 -7.800 1.00 0.00 C ATOM 1287 CD1 PHE A 79 -3.438 3.420 -8.004 1.00 0.00 C ATOM 1288 CD2 PHE A 79 -1.893 5.077 -7.257 1.00 0.00 C ATOM 1289 CE1 PHE A 79 -4.492 4.251 -7.676 1.00 0.00 C ATOM 1290 CE2 PHE A 79 -2.944 5.911 -6.927 1.00 0.00 C ATOM 1291 CZ PHE A 79 -4.245 5.497 -7.137 1.00 0.00 C ATOM 0 H PHE A 79 -2.538 1.113 -8.829 1.00 0.00 H new ATOM 0 HA PHE A 79 -1.228 3.187 -10.273 1.00 0.00 H new ATOM 0 HB2 PHE A 79 -0.947 2.086 -7.454 1.00 0.00 H new ATOM 0 HB3 PHE A 79 -0.041 3.471 -8.030 1.00 0.00 H new ATOM 0 HD1 PHE A 79 -3.638 2.445 -8.424 1.00 0.00 H new ATOM 0 HD2 PHE A 79 -0.878 5.406 -7.090 1.00 0.00 H new ATOM 0 HE1 PHE A 79 -5.508 3.926 -7.841 1.00 0.00 H new ATOM 0 HE2 PHE A 79 -2.748 6.886 -6.505 1.00 0.00 H new ATOM 0 HZ PHE A 79 -5.068 6.148 -6.880 1.00 0.00 H new ATOM 1301 N LEU A 80 0.525 0.509 -9.478 1.00 0.00 N ATOM 1302 CA LEU A 80 1.765 -0.209 -9.751 1.00 0.00 C ATOM 1303 C LEU A 80 1.913 -0.501 -11.244 1.00 0.00 C ATOM 1304 O LEU A 80 0.981 -0.991 -11.881 1.00 0.00 O ATOM 1305 CB LEU A 80 1.795 -1.523 -8.964 1.00 0.00 C ATOM 1306 CG LEU A 80 1.517 -1.393 -7.465 1.00 0.00 C ATOM 1307 CD1 LEU A 80 1.536 -2.761 -6.800 1.00 0.00 C ATOM 1308 CD2 LEU A 80 2.528 -0.467 -6.806 1.00 0.00 C ATOM 0 H LEU A 80 -0.142 -0.007 -8.903 1.00 0.00 H new ATOM 0 HA LEU A 80 2.597 0.422 -9.438 1.00 0.00 H new ATOM 0 HB2 LEU A 80 1.060 -2.203 -9.396 1.00 0.00 H new ATOM 0 HB3 LEU A 80 2.773 -1.985 -9.097 1.00 0.00 H new ATOM 0 HG LEU A 80 0.525 -0.959 -7.339 1.00 0.00 H new ATOM 0 HD11 LEU A 80 1.337 -2.650 -5.734 1.00 0.00 H new ATOM 0 HD12 LEU A 80 0.771 -3.394 -7.249 1.00 0.00 H new ATOM 0 HD13 LEU A 80 2.515 -3.220 -6.940 1.00 0.00 H new ATOM 0 HD21 LEU A 80 2.310 -0.390 -5.741 1.00 0.00 H new ATOM 0 HD22 LEU A 80 3.532 -0.868 -6.943 1.00 0.00 H new ATOM 0 HD23 LEU A 80 2.467 0.521 -7.261 1.00 0.00 H new ATOM 1320 N PRO A 81 3.090 -0.209 -11.829 1.00 0.00 N ATOM 1321 CA PRO A 81 3.343 -0.452 -13.251 1.00 0.00 C ATOM 1322 C PRO A 81 3.390 -1.943 -13.572 1.00 0.00 C ATOM 1323 O PRO A 81 4.176 -2.685 -12.983 1.00 0.00 O ATOM 1324 CB PRO A 81 4.709 0.192 -13.506 1.00 0.00 C ATOM 1325 CG PRO A 81 5.005 1.015 -12.293 1.00 0.00 C ATOM 1326 CD PRO A 81 4.262 0.372 -11.159 1.00 0.00 C ATOM 0 HA PRO A 81 2.552 -0.040 -13.878 1.00 0.00 H new ATOM 0 HB2 PRO A 81 5.476 -0.567 -13.660 1.00 0.00 H new ATOM 0 HB3 PRO A 81 4.688 0.811 -14.403 1.00 0.00 H new ATOM 0 HG2 PRO A 81 6.076 1.041 -12.092 1.00 0.00 H new ATOM 0 HG3 PRO A 81 4.683 2.047 -12.434 1.00 0.00 H new ATOM 0 HD2 PRO A 81 4.863 -0.389 -10.661 1.00 0.00 H new ATOM 0 HD3 PRO A 81 3.975 1.099 -10.399 1.00 0.00 H new ATOM 1334 N GLU A 82 2.545 -2.372 -14.509 1.00 0.00 N ATOM 1335 CA GLU A 82 2.485 -3.777 -14.908 1.00 0.00 C ATOM 1336 C GLU A 82 1.412 -3.995 -15.974 1.00 0.00 C ATOM 1337 O GLU A 82 0.426 -4.698 -15.744 1.00 0.00 O ATOM 1338 CB GLU A 82 2.204 -4.665 -13.691 1.00 0.00 C ATOM 1339 CG GLU A 82 2.265 -6.155 -13.991 1.00 0.00 C ATOM 1340 CD GLU A 82 1.982 -7.011 -12.771 1.00 0.00 C ATOM 1341 OE1 GLU A 82 1.734 -6.440 -11.688 1.00 0.00 O ATOM 1342 OE2 GLU A 82 2.008 -8.253 -12.899 1.00 0.00 O ATOM 0 H GLU A 82 1.892 -1.766 -15.006 1.00 0.00 H new ATOM 0 HA GLU A 82 3.452 -4.051 -15.331 1.00 0.00 H new ATOM 0 HB2 GLU A 82 2.926 -4.432 -12.908 1.00 0.00 H new ATOM 0 HB3 GLU A 82 1.217 -4.423 -13.297 1.00 0.00 H new ATOM 0 HG2 GLU A 82 1.543 -6.394 -14.772 1.00 0.00 H new ATOM 0 HG3 GLU A 82 3.252 -6.402 -14.382 1.00 0.00 H new ATOM 1349 N ALA A 83 1.604 -3.386 -17.141 1.00 0.00 N ATOM 1350 CA ALA A 83 0.646 -3.517 -18.235 1.00 0.00 C ATOM 1351 C ALA A 83 1.257 -3.089 -19.565 1.00 0.00 C ATOM 1352 O ALA A 83 1.093 -3.767 -20.579 1.00 0.00 O ATOM 1353 CB ALA A 83 -0.605 -2.702 -17.944 1.00 0.00 C ATOM 0 H ALA A 83 2.411 -2.799 -17.353 1.00 0.00 H new ATOM 0 HA ALA A 83 0.374 -4.569 -18.314 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -1.310 -2.810 -18.769 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -1.066 -3.060 -17.023 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -0.337 -1.652 -17.831 1.00 0.00 H new ATOM 1359 N LYS A 84 1.961 -1.961 -19.556 1.00 0.00 N ATOM 1360 CA LYS A 84 2.594 -1.446 -20.765 1.00 0.00 C ATOM 1361 C LYS A 84 3.594 -2.452 -21.331 1.00 0.00 C ATOM 1362 O LYS A 84 3.669 -2.649 -22.544 1.00 0.00 O ATOM 1363 CB LYS A 84 3.292 -0.114 -20.480 1.00 0.00 C ATOM 1364 CG LYS A 84 4.324 -0.187 -19.363 1.00 0.00 C ATOM 1365 CD LYS A 84 5.033 1.146 -19.166 1.00 0.00 C ATOM 1366 CE LYS A 84 4.056 2.254 -18.799 1.00 0.00 C ATOM 1367 NZ LYS A 84 3.327 1.959 -17.535 1.00 0.00 N ATOM 0 H LYS A 84 2.107 -1.387 -18.726 1.00 0.00 H new ATOM 0 HA LYS A 84 1.813 -1.283 -21.508 1.00 0.00 H new ATOM 0 HB2 LYS A 84 3.780 0.232 -21.391 1.00 0.00 H new ATOM 0 HB3 LYS A 84 2.540 0.631 -20.219 1.00 0.00 H new ATOM 0 HG2 LYS A 84 3.835 -0.480 -18.434 1.00 0.00 H new ATOM 0 HG3 LYS A 84 5.058 -0.959 -19.595 1.00 0.00 H new ATOM 0 HD2 LYS A 84 5.783 1.047 -18.381 1.00 0.00 H new ATOM 0 HD3 LYS A 84 5.562 1.415 -20.080 1.00 0.00 H new ATOM 0 HE2 LYS A 84 4.597 3.194 -18.694 1.00 0.00 H new ATOM 0 HE3 LYS A 84 3.338 2.387 -19.609 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 2.816 2.809 -17.223 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 2.649 1.187 -17.697 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 4.006 1.674 -16.801 1.00 0.00 H new ATOM 1381 N ARG A 85 4.356 -3.085 -20.443 1.00 0.00 N ATOM 1382 CA ARG A 85 5.354 -4.073 -20.848 1.00 0.00 C ATOM 1383 C ARG A 85 5.552 -5.120 -19.756 1.00 0.00 C ATOM 1384 O ARG A 85 6.098 -6.200 -20.066 1.00 0.00 O ATOM 1385 CB ARG A 85 6.692 -3.392 -21.153 1.00 0.00 C ATOM 1386 CG ARG A 85 6.649 -2.457 -22.350 1.00 0.00 C ATOM 1387 CD ARG A 85 7.986 -1.766 -22.564 1.00 0.00 C ATOM 1388 NE ARG A 85 9.071 -2.721 -22.772 1.00 0.00 N ATOM 1389 CZ ARG A 85 10.337 -2.366 -22.972 1.00 0.00 C ATOM 1390 NH1 ARG A 85 10.674 -1.083 -22.995 1.00 0.00 N ATOM 1391 NH2 ARG A 85 11.266 -3.294 -23.150 1.00 0.00 N ATOM 1392 OXT ARG A 85 5.160 -4.851 -18.601 1.00 0.00 O ATOM 0 H ARG A 85 4.302 -2.931 -19.436 1.00 0.00 H new ATOM 0 HA ARG A 85 4.990 -4.566 -21.749 1.00 0.00 H new ATOM 0 HB2 ARG A 85 7.010 -2.829 -20.276 1.00 0.00 H new ATOM 0 HB3 ARG A 85 7.446 -4.159 -21.330 1.00 0.00 H new ATOM 0 HG2 ARG A 85 6.382 -3.021 -23.244 1.00 0.00 H new ATOM 0 HG3 ARG A 85 5.871 -1.708 -22.201 1.00 0.00 H new ATOM 0 HD2 ARG A 85 7.917 -1.103 -23.426 1.00 0.00 H new ATOM 0 HD3 ARG A 85 8.214 -1.142 -21.700 1.00 0.00 H new ATOM 0 HE ARG A 85 8.845 -3.716 -22.763 1.00 0.00 H new ATOM 0 HH11 ARG A 85 9.961 -0.366 -22.859 1.00 0.00 H new ATOM 0 HH12 ARG A 85 11.646 -0.814 -23.149 1.00 0.00 H new ATOM 0 HH21 ARG A 85 11.010 -4.281 -23.134 1.00 0.00 H new ATOM 0 HH22 ARG A 85 12.237 -3.021 -23.303 1.00 0.00 H new TER 1406 ARG A 85 ATOM 1407 N ASN B 1 4.308 6.831 -6.603 1.00 0.00 N ATOM 1408 CA ASN B 1 2.871 6.452 -6.549 1.00 0.00 C ATOM 1409 C ASN B 1 2.501 5.896 -5.180 1.00 0.00 C ATOM 1410 O ASN B 1 1.468 6.252 -4.610 1.00 0.00 O ATOM 1411 CB ASN B 1 2.602 5.409 -7.635 1.00 0.00 C ATOM 1412 CG ASN B 1 2.930 5.923 -9.024 1.00 0.00 C ATOM 1413 OD1 ASN B 1 4.068 6.295 -9.307 1.00 0.00 O ATOM 1414 ND2 ASN B 1 1.932 5.945 -9.899 1.00 0.00 N ATOM 0 H1 ASN B 1 4.717 6.513 -7.505 1.00 0.00 H new ATOM 0 H2 ASN B 1 4.398 7.864 -6.527 1.00 0.00 H new ATOM 0 H3 ASN B 1 4.816 6.381 -5.815 1.00 0.00 H new ATOM 0 HA ASN B 1 2.259 7.338 -6.719 1.00 0.00 H new ATOM 0 HB2 ASN B 1 3.193 4.516 -7.432 1.00 0.00 H new ATOM 0 HB3 ASN B 1 1.554 5.112 -7.598 1.00 0.00 H new ATOM 0 HD21 ASN B 1 2.094 6.280 -10.849 1.00 0.00 H new ATOM 0 HD22 ASN B 1 1.003 5.627 -9.622 1.00 0.00 H new ATOM 1423 N ILE B 2 3.353 5.023 -4.657 1.00 0.00 N ATOM 1424 CA ILE B 2 3.124 4.414 -3.352 1.00 0.00 C ATOM 1425 C ILE B 2 3.077 5.469 -2.253 1.00 0.00 C ATOM 1426 O ILE B 2 2.262 5.380 -1.340 1.00 0.00 O ATOM 1427 CB ILE B 2 4.220 3.379 -3.012 1.00 0.00 C ATOM 1428 CG1 ILE B 2 4.170 2.204 -3.994 1.00 0.00 C ATOM 1429 CG2 ILE B 2 4.070 2.888 -1.577 1.00 0.00 C ATOM 1430 CD1 ILE B 2 2.860 1.445 -3.971 1.00 0.00 C ATOM 0 H ILE B 2 4.211 4.720 -5.118 1.00 0.00 H new ATOM 0 HA ILE B 2 2.161 3.907 -3.405 1.00 0.00 H new ATOM 0 HB ILE B 2 5.192 3.864 -3.105 1.00 0.00 H new ATOM 0 HG12 ILE B 2 4.345 2.578 -5.003 1.00 0.00 H new ATOM 0 HG13 ILE B 2 4.983 1.515 -3.764 1.00 0.00 H new ATOM 0 HG21 ILE B 2 4.851 2.160 -1.358 1.00 0.00 H new ATOM 0 HG22 ILE B 2 4.158 3.732 -0.893 1.00 0.00 H new ATOM 0 HG23 ILE B 2 3.093 2.420 -1.453 1.00 0.00 H new ATOM 0 HD11 ILE B 2 2.900 0.628 -4.692 1.00 0.00 H new ATOM 0 HD12 ILE B 2 2.692 1.040 -2.973 1.00 0.00 H new ATOM 0 HD13 ILE B 2 2.044 2.119 -4.231 1.00 0.00 H new ATOM 1442 N GLN B 3 3.954 6.465 -2.345 1.00 0.00 N ATOM 1443 CA GLN B 3 3.998 7.527 -1.350 1.00 0.00 C ATOM 1444 C GLN B 3 2.627 8.174 -1.195 1.00 0.00 C ATOM 1445 O GLN B 3 2.236 8.559 -0.094 1.00 0.00 O ATOM 1446 CB GLN B 3 5.069 8.563 -1.714 1.00 0.00 C ATOM 1447 CG GLN B 3 4.937 9.138 -3.118 1.00 0.00 C ATOM 1448 CD GLN B 3 3.976 10.312 -3.205 1.00 0.00 C ATOM 1449 OE1 GLN B 3 3.744 10.850 -4.288 1.00 0.00 O ATOM 1450 NE2 GLN B 3 3.422 10.728 -2.071 1.00 0.00 N ATOM 0 H GLN B 3 4.639 6.557 -3.095 1.00 0.00 H new ATOM 0 HA GLN B 3 4.270 7.092 -0.388 1.00 0.00 H new ATOM 0 HB2 GLN B 3 5.026 9.380 -0.994 1.00 0.00 H new ATOM 0 HB3 GLN B 3 6.052 8.102 -1.614 1.00 0.00 H new ATOM 0 HG2 GLN B 3 5.920 9.457 -3.465 1.00 0.00 H new ATOM 0 HG3 GLN B 3 4.600 8.352 -3.794 1.00 0.00 H new ATOM 0 HE21 GLN B 3 3.640 10.256 -1.194 1.00 0.00 H new ATOM 0 HE22 GLN B 3 2.779 11.520 -2.078 1.00 0.00 H new ATOM 1459 N MET B 4 1.890 8.273 -2.299 1.00 0.00 N ATOM 1460 CA MET B 4 0.551 8.853 -2.272 1.00 0.00 C ATOM 1461 C MET B 4 -0.418 7.936 -1.530 1.00 0.00 C ATOM 1462 O MET B 4 -1.203 8.390 -0.698 1.00 0.00 O ATOM 1463 CB MET B 4 0.039 9.102 -3.694 1.00 0.00 C ATOM 1464 CG MET B 4 0.877 10.095 -4.481 1.00 0.00 C ATOM 1465 SD MET B 4 0.908 11.734 -3.727 1.00 0.00 S ATOM 1466 CE MET B 4 -0.823 12.188 -3.820 1.00 0.00 C ATOM 0 H MET B 4 2.197 7.960 -3.220 1.00 0.00 H new ATOM 0 HA MET B 4 0.610 9.806 -1.746 1.00 0.00 H new ATOM 0 HB2 MET B 4 0.014 8.155 -4.232 1.00 0.00 H new ATOM 0 HB3 MET B 4 -0.987 9.467 -3.642 1.00 0.00 H new ATOM 0 HG2 MET B 4 1.897 9.718 -4.563 1.00 0.00 H new ATOM 0 HG3 MET B 4 0.483 10.173 -5.494 1.00 0.00 H new ATOM 0 HE1 MET B 4 -0.922 13.269 -3.716 1.00 0.00 H new ATOM 0 HE2 MET B 4 -1.229 11.877 -4.783 1.00 0.00 H new ATOM 0 HE3 MET B 4 -1.372 11.695 -3.018 1.00 0.00 H new ATOM 1476 N LEU B 5 -0.360 6.642 -1.845 1.00 0.00 N ATOM 1477 CA LEU B 5 -1.236 5.658 -1.214 1.00 0.00 C ATOM 1478 C LEU B 5 -0.955 5.558 0.282 1.00 0.00 C ATOM 1479 O LEU B 5 -1.871 5.617 1.102 1.00 0.00 O ATOM 1480 CB LEU B 5 -1.058 4.285 -1.868 1.00 0.00 C ATOM 1481 CG LEU B 5 -2.143 3.263 -1.521 1.00 0.00 C ATOM 1482 CD1 LEU B 5 -3.509 3.796 -1.918 1.00 0.00 C ATOM 1483 CD2 LEU B 5 -1.874 1.940 -2.217 1.00 0.00 C ATOM 0 H LEU B 5 0.284 6.252 -2.533 1.00 0.00 H new ATOM 0 HA LEU B 5 -2.265 5.988 -1.353 1.00 0.00 H new ATOM 0 HB2 LEU B 5 -1.033 4.414 -2.950 1.00 0.00 H new ATOM 0 HB3 LEU B 5 -0.090 3.880 -1.573 1.00 0.00 H new ATOM 0 HG LEU B 5 -2.128 3.095 -0.444 1.00 0.00 H new ATOM 0 HD11 LEU B 5 -4.274 3.061 -1.667 1.00 0.00 H new ATOM 0 HD12 LEU B 5 -3.707 4.724 -1.382 1.00 0.00 H new ATOM 0 HD13 LEU B 5 -3.528 3.986 -2.991 1.00 0.00 H new ATOM 0 HD21 LEU B 5 -2.656 1.227 -1.958 1.00 0.00 H new ATOM 0 HD22 LEU B 5 -1.865 2.092 -3.296 1.00 0.00 H new ATOM 0 HD23 LEU B 5 -0.907 1.551 -1.897 1.00 0.00 H new ATOM 1495 N LEU B 6 0.319 5.417 0.626 1.00 0.00 N ATOM 1496 CA LEU B 6 0.733 5.320 2.018 1.00 0.00 C ATOM 1497 C LEU B 6 0.319 6.576 2.774 1.00 0.00 C ATOM 1498 O LEU B 6 -0.147 6.506 3.912 1.00 0.00 O ATOM 1499 CB LEU B 6 2.249 5.112 2.097 1.00 0.00 C ATOM 1500 CG LEU B 6 2.841 5.062 3.507 1.00 0.00 C ATOM 1501 CD1 LEU B 6 2.106 4.046 4.370 1.00 0.00 C ATOM 1502 CD2 LEU B 6 4.323 4.723 3.438 1.00 0.00 C ATOM 0 H LEU B 6 1.086 5.367 -0.044 1.00 0.00 H new ATOM 0 HA LEU B 6 0.242 4.464 2.481 1.00 0.00 H new ATOM 0 HB2 LEU B 6 2.496 4.181 1.586 1.00 0.00 H new ATOM 0 HB3 LEU B 6 2.736 5.917 1.547 1.00 0.00 H new ATOM 0 HG LEU B 6 2.722 6.044 3.965 1.00 0.00 H new ATOM 0 HD11 LEU B 6 2.546 4.030 5.367 1.00 0.00 H new ATOM 0 HD12 LEU B 6 1.054 4.323 4.442 1.00 0.00 H new ATOM 0 HD13 LEU B 6 2.191 3.057 3.920 1.00 0.00 H new ATOM 0 HD21 LEU B 6 4.736 4.690 4.446 1.00 0.00 H new ATOM 0 HD22 LEU B 6 4.452 3.752 2.961 1.00 0.00 H new ATOM 0 HD23 LEU B 6 4.844 5.485 2.858 1.00 0.00 H new ATOM 1514 N GLU B 7 0.474 7.721 2.119 1.00 0.00 N ATOM 1515 CA GLU B 7 0.099 8.999 2.707 1.00 0.00 C ATOM 1516 C GLU B 7 -1.407 9.040 2.951 1.00 0.00 C ATOM 1517 O GLU B 7 -1.872 9.582 3.954 1.00 0.00 O ATOM 1518 CB GLU B 7 0.518 10.147 1.785 1.00 0.00 C ATOM 1519 CG GLU B 7 0.180 11.525 2.331 1.00 0.00 C ATOM 1520 CD GLU B 7 0.600 12.645 1.398 1.00 0.00 C ATOM 1521 OE1 GLU B 7 1.159 12.345 0.320 1.00 0.00 O ATOM 1522 OE2 GLU B 7 0.371 13.823 1.744 1.00 0.00 O ATOM 0 H GLU B 7 0.859 7.789 1.177 1.00 0.00 H new ATOM 0 HA GLU B 7 0.613 9.113 3.662 1.00 0.00 H new ATOM 0 HB2 GLU B 7 1.593 10.088 1.612 1.00 0.00 H new ATOM 0 HB3 GLU B 7 0.032 10.020 0.818 1.00 0.00 H new ATOM 0 HG2 GLU B 7 -0.894 11.588 2.507 1.00 0.00 H new ATOM 0 HG3 GLU B 7 0.669 11.659 3.296 1.00 0.00 H new ATOM 1529 N ALA B 8 -2.158 8.450 2.024 1.00 0.00 N ATOM 1530 CA ALA B 8 -3.612 8.397 2.120 1.00 0.00 C ATOM 1531 C ALA B 8 -4.048 7.787 3.447 1.00 0.00 C ATOM 1532 O ALA B 8 -4.988 8.264 4.081 1.00 0.00 O ATOM 1533 CB ALA B 8 -4.182 7.594 0.960 1.00 0.00 C ATOM 0 H ALA B 8 -1.778 7.999 1.192 1.00 0.00 H new ATOM 0 HA ALA B 8 -3.997 9.416 2.071 1.00 0.00 H new ATOM 0 HB1 ALA B 8 -5.269 7.560 1.040 1.00 0.00 H new ATOM 0 HB2 ALA B 8 -3.902 8.066 0.018 1.00 0.00 H new ATOM 0 HB3 ALA B 8 -3.784 6.580 0.989 1.00 0.00 H new ATOM 1539 N ALA B 9 -3.353 6.731 3.861 1.00 0.00 N ATOM 1540 CA ALA B 9 -3.662 6.056 5.116 1.00 0.00 C ATOM 1541 C ALA B 9 -3.600 7.034 6.284 1.00 0.00 C ATOM 1542 O ALA B 9 -4.494 7.065 7.128 1.00 0.00 O ATOM 1543 CB ALA B 9 -2.700 4.902 5.341 1.00 0.00 C ATOM 0 H ALA B 9 -2.572 6.325 3.345 1.00 0.00 H new ATOM 0 HA ALA B 9 -4.676 5.661 5.055 1.00 0.00 H new ATOM 0 HB1 ALA B 9 -2.941 4.406 6.281 1.00 0.00 H new ATOM 0 HB2 ALA B 9 -2.789 4.189 4.521 1.00 0.00 H new ATOM 0 HB3 ALA B 9 -1.679 5.282 5.382 1.00 0.00 H new ATOM 1549 N ASP B 10 -2.539 7.836 6.317 1.00 0.00 N ATOM 1550 CA ASP B 10 -2.360 8.827 7.372 1.00 0.00 C ATOM 1551 C ASP B 10 -3.533 9.798 7.385 1.00 0.00 C ATOM 1552 O ASP B 10 -4.001 10.213 8.444 1.00 0.00 O ATOM 1553 CB ASP B 10 -1.049 9.590 7.168 1.00 0.00 C ATOM 1554 CG ASP B 10 -0.803 10.618 8.254 1.00 0.00 C ATOM 1555 OD1 ASP B 10 -0.724 10.227 9.438 1.00 0.00 O ATOM 1556 OD2 ASP B 10 -0.686 11.817 7.921 1.00 0.00 O ATOM 0 H ASP B 10 -1.790 7.818 5.624 1.00 0.00 H new ATOM 0 HA ASP B 10 -2.319 8.311 8.331 1.00 0.00 H new ATOM 0 HB2 ASP B 10 -0.220 8.883 7.147 1.00 0.00 H new ATOM 0 HB3 ASP B 10 -1.069 10.088 6.198 1.00 0.00 H new ATOM 1561 N TYR B 11 -4.005 10.150 6.195 1.00 0.00 N ATOM 1562 CA TYR B 11 -5.130 11.064 6.054 1.00 0.00 C ATOM 1563 C TYR B 11 -6.394 10.466 6.664 1.00 0.00 C ATOM 1564 O TYR B 11 -7.136 11.147 7.373 1.00 0.00 O ATOM 1565 CB TYR B 11 -5.364 11.377 4.575 1.00 0.00 C ATOM 1566 CG TYR B 11 -6.551 12.277 4.322 1.00 0.00 C ATOM 1567 CD1 TYR B 11 -6.557 13.595 4.761 1.00 0.00 C ATOM 1568 CD2 TYR B 11 -7.662 11.807 3.636 1.00 0.00 C ATOM 1569 CE1 TYR B 11 -7.640 14.419 4.524 1.00 0.00 C ATOM 1570 CE2 TYR B 11 -8.748 12.625 3.394 1.00 0.00 C ATOM 1571 CZ TYR B 11 -8.733 13.929 3.840 1.00 0.00 C ATOM 1572 OH TYR B 11 -9.814 14.746 3.600 1.00 0.00 O ATOM 0 H TYR B 11 -3.624 9.814 5.311 1.00 0.00 H new ATOM 0 HA TYR B 11 -4.894 11.986 6.586 1.00 0.00 H new ATOM 0 HB2 TYR B 11 -4.470 11.848 4.167 1.00 0.00 H new ATOM 0 HB3 TYR B 11 -5.507 10.442 4.034 1.00 0.00 H new ATOM 0 HD1 TYR B 11 -5.702 13.981 5.296 1.00 0.00 H new ATOM 0 HD2 TYR B 11 -7.678 10.785 3.286 1.00 0.00 H new ATOM 0 HE1 TYR B 11 -7.631 15.441 4.872 1.00 0.00 H new ATOM 0 HE2 TYR B 11 -9.605 12.245 2.858 1.00 0.00 H new ATOM 0 HH TYR B 11 -10.498 14.247 3.106 1.00 0.00 H new ATOM 1582 N LEU B 12 -6.635 9.188 6.380 1.00 0.00 N ATOM 1583 CA LEU B 12 -7.810 8.493 6.895 1.00 0.00 C ATOM 1584 C LEU B 12 -7.651 8.131 8.371 1.00 0.00 C ATOM 1585 O LEU B 12 -8.282 7.193 8.859 1.00 0.00 O ATOM 1586 CB LEU B 12 -8.065 7.225 6.085 1.00 0.00 C ATOM 1587 CG LEU B 12 -8.538 7.453 4.648 1.00 0.00 C ATOM 1588 CD1 LEU B 12 -8.663 6.125 3.915 1.00 0.00 C ATOM 1589 CD2 LEU B 12 -9.867 8.193 4.638 1.00 0.00 C ATOM 0 H LEU B 12 -6.030 8.612 5.794 1.00 0.00 H new ATOM 0 HA LEU B 12 -8.659 9.170 6.801 1.00 0.00 H new ATOM 0 HB2 LEU B 12 -7.146 6.639 6.059 1.00 0.00 H new ATOM 0 HB3 LEU B 12 -8.812 6.625 6.605 1.00 0.00 H new ATOM 0 HG LEU B 12 -7.798 8.065 4.132 1.00 0.00 H new ATOM 0 HD11 LEU B 12 -9.000 6.303 2.894 1.00 0.00 H new ATOM 0 HD12 LEU B 12 -7.693 5.628 3.895 1.00 0.00 H new ATOM 0 HD13 LEU B 12 -9.385 5.492 4.430 1.00 0.00 H new ATOM 0 HD21 LEU B 12 -10.190 8.347 3.608 1.00 0.00 H new ATOM 0 HD22 LEU B 12 -10.615 7.604 5.168 1.00 0.00 H new ATOM 0 HD23 LEU B 12 -9.750 9.159 5.130 1.00 0.00 H new ATOM 1601 N GLU B 13 -6.810 8.878 9.076 1.00 0.00 N ATOM 1602 CA GLU B 13 -6.575 8.634 10.496 1.00 0.00 C ATOM 1603 C GLU B 13 -7.865 8.771 11.300 1.00 0.00 C ATOM 1604 O GLU B 13 -8.833 9.355 10.770 1.00 0.00 O ATOM 1605 CB GLU B 13 -5.509 9.596 11.034 1.00 0.00 C ATOM 1606 CG GLU B 13 -5.799 11.066 10.756 1.00 0.00 C ATOM 1607 CD GLU B 13 -7.006 11.587 11.512 1.00 0.00 C ATOM 1608 OE1 GLU B 13 -6.988 11.547 12.759 1.00 0.00 O ATOM 1609 OE2 GLU B 13 -7.969 12.036 10.854 1.00 0.00 O ATOM 1610 OXT GLU B 13 -7.897 8.291 12.453 1.00 0.00 O ATOM 0 H GLU B 13 -6.279 9.658 8.689 1.00 0.00 H new ATOM 0 HA GLU B 13 -6.215 7.611 10.606 1.00 0.00 H new ATOM 0 HB2 GLU B 13 -5.416 9.453 12.111 1.00 0.00 H new ATOM 0 HB3 GLU B 13 -4.546 9.337 10.593 1.00 0.00 H new ATOM 0 HG2 GLU B 13 -4.925 11.660 11.025 1.00 0.00 H new ATOM 0 HG3 GLU B 13 -5.961 11.203 9.687 1.00 0.00 H new TER 1617 GLU B 13