USER MOD reduce.3.24.130724 H: found=0, std=0, add=860, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 860 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 29 LYS NZ :NH3+ 164:sc= 0.714 (180deg=0.0216) USER MOD Set 1.2: A 36 TYR OH : rot 180:sc= 0.66 USER MOD Set 2.1: A 18 GLN : amide:sc= -3.54! C(o=-3.6!,f=-8.2!) USER MOD Set 2.2: A 56 LYS NZ :NH3+ 175:sc= -0.0615 (180deg=-0.298) USER MOD Single : A 1 SER OG : rot 180:sc= 0.145 USER MOD Single : A 2 SER OG : rot 72:sc= 0.666 USER MOD Single : A 4 HIS : no HD1:sc= 0 X(o=0,f=-0.016) USER MOD Single : A 5 GLN :FLIP amide:sc= -0.0367 F(o=-1.5!,f=-0.037) USER MOD Single : A -1 GLY N :NH3+ 143:sc= 0.012 (180deg=0) USER MOD Single : A 10 MET CE :methyl -167:sc= -4.32! (180deg=-6.08!) USER MOD Single : A 13 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00424) USER MOD Single : A 14 GLN :FLIP amide:sc= -0.647 F(o=-1.5,f=-0.65) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 ASN : amide:sc= -0.291 X(o=-0.29,f=-0.042) USER MOD Single : A 50 SER OG : rot 73:sc= -0.0823 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 GLN :FLIP amide:sc= -2.37! C(o=-4.4!,f=-2.4!) USER MOD Single : A 57 ASN : amide:sc= -0.345 X(o=-0.35,f=-0.024) USER MOD Single : A 62 ASN : amide:sc= -0.323 X(o=-0.32,f=-0.01) USER MOD Single : A 64 ASN : amide:sc= 0.715 K(o=0.71,f=0) USER MOD Single : A 68 ASN : amide:sc= 1.29 K(o=1.3,f=-0.31) USER MOD Single : A 72 TYR OH : rot -51:sc= 0.34 USER MOD Single : A 77 CYS SG : rot 65:sc= -0.471 USER MOD Single : A 81 LYS NZ :NH3+ -133:sc= 1.01 (180deg=-1.8!) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 ASN : amide:sc= -1.01 K(o=-1,f=-11!) USER MOD Single : A 94 SER OG : rot 180:sc= -0.144 USER MOD Single : A 95 ASN :FLIP amide:sc= -0.164 F(o=-0.81,f=-0.16) USER MOD Single : A 100 HIS : no HD1:sc=-0.00662 X(o=-0.0066,f=-0.1) USER MOD Single : A 103 LYS NZ :NH3+ 161:sc= -0.0805 (180deg=-0.492) USER MOD Single : A 104 LYS NZ :NH3+ -167:sc= -0.0184 (180deg=-0.197) USER MOD Single : A 105 LYS NZ :NH3+ -102:sc= 1.34 (180deg=-0.693) USER MOD Single : A 106 LYS NZ :NH3+ -166:sc= -0.013 (180deg=-0.224) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A -1 -17.237 -12.622 -25.182 1.00 0.00 N ATOM 2 CA GLY A -1 -17.823 -11.858 -24.057 1.00 0.00 C ATOM 3 C GLY A -1 -17.682 -10.367 -24.262 1.00 0.00 C ATOM 4 O GLY A -1 -16.653 -9.898 -24.750 1.00 0.00 O ATOM 0 H1 GLY A -1 -16.781 -13.483 -24.817 1.00 0.00 H new ATOM 0 H2 GLY A -1 -17.988 -12.885 -25.851 1.00 0.00 H new ATOM 0 H3 GLY A -1 -16.530 -12.035 -25.669 1.00 0.00 H new ATOM 0 HA2 GLY A -1 -18.878 -12.113 -23.954 1.00 0.00 H new ATOM 0 HA3 GLY A -1 -17.333 -12.146 -23.127 1.00 0.00 H new ATOM 10 N GLY A 0 -18.733 -9.625 -23.952 1.00 0.00 N ATOM 11 CA GLY A 0 -18.709 -8.190 -24.144 1.00 0.00 C ATOM 12 C GLY A 0 -17.788 -7.496 -23.163 1.00 0.00 C ATOM 13 O GLY A 0 -17.914 -7.687 -21.949 1.00 0.00 O ATOM 0 H GLY A 0 -19.605 -9.992 -23.570 1.00 0.00 H new ATOM 0 HA2 GLY A 0 -18.388 -7.967 -25.161 1.00 0.00 H new ATOM 0 HA3 GLY A 0 -19.718 -7.794 -24.034 1.00 0.00 H new ATOM 17 N SER A 1 -16.861 -6.702 -23.692 1.00 0.00 N ATOM 18 CA SER A 1 -15.896 -5.975 -22.876 1.00 0.00 C ATOM 19 C SER A 1 -15.162 -6.937 -21.931 1.00 0.00 C ATOM 20 O SER A 1 -14.716 -8.007 -22.361 1.00 0.00 O ATOM 21 CB SER A 1 -16.607 -4.856 -22.098 1.00 0.00 C ATOM 22 OG SER A 1 -15.679 -3.973 -21.487 1.00 0.00 O ATOM 0 H SER A 1 -16.759 -6.545 -24.695 1.00 0.00 H new ATOM 0 HA SER A 1 -15.150 -5.516 -23.525 1.00 0.00 H new ATOM 0 HB2 SER A 1 -17.252 -4.295 -22.774 1.00 0.00 H new ATOM 0 HB3 SER A 1 -17.250 -5.295 -21.335 1.00 0.00 H new ATOM 0 HG SER A 1 -16.164 -3.273 -21.002 1.00 0.00 H new ATOM 28 N SER A 2 -15.100 -6.574 -20.646 1.00 0.00 N ATOM 29 CA SER A 2 -14.511 -7.405 -19.590 1.00 0.00 C ATOM 30 C SER A 2 -12.980 -7.485 -19.690 1.00 0.00 C ATOM 31 O SER A 2 -12.282 -7.308 -18.691 1.00 0.00 O ATOM 32 CB SER A 2 -15.124 -8.810 -19.609 1.00 0.00 C ATOM 33 OG SER A 2 -16.542 -8.742 -19.635 1.00 0.00 O ATOM 0 H SER A 2 -15.462 -5.683 -20.305 1.00 0.00 H new ATOM 0 HA SER A 2 -14.744 -6.925 -18.639 1.00 0.00 H new ATOM 0 HB2 SER A 2 -14.766 -9.356 -20.482 1.00 0.00 H new ATOM 0 HB3 SER A 2 -14.798 -9.366 -18.730 1.00 0.00 H new ATOM 0 HG SER A 2 -16.839 -8.431 -20.516 1.00 0.00 H new ATOM 39 N ARG A 3 -12.464 -7.752 -20.887 1.00 0.00 N ATOM 40 CA ARG A 3 -11.024 -7.880 -21.099 1.00 0.00 C ATOM 41 C ARG A 3 -10.310 -6.546 -20.906 1.00 0.00 C ATOM 42 O ARG A 3 -9.122 -6.515 -20.588 1.00 0.00 O ATOM 43 CB ARG A 3 -10.719 -8.433 -22.492 1.00 0.00 C ATOM 44 CG ARG A 3 -11.214 -9.852 -22.708 1.00 0.00 C ATOM 45 CD ARG A 3 -10.721 -10.419 -24.029 1.00 0.00 C ATOM 46 NE ARG A 3 -11.240 -11.766 -24.276 1.00 0.00 N ATOM 47 CZ ARG A 3 -10.893 -12.521 -25.317 1.00 0.00 C ATOM 48 NH1 ARG A 3 -9.942 -12.115 -26.149 1.00 0.00 N ATOM 49 NH2 ARG A 3 -11.476 -13.697 -25.504 1.00 0.00 N ATOM 0 H ARG A 3 -13.024 -7.885 -21.729 1.00 0.00 H new ATOM 0 HA ARG A 3 -10.652 -8.582 -20.352 1.00 0.00 H new ATOM 0 HB2 ARG A 3 -11.173 -7.782 -23.239 1.00 0.00 H new ATOM 0 HB3 ARG A 3 -9.642 -8.405 -22.657 1.00 0.00 H new ATOM 0 HG2 ARG A 3 -10.874 -10.486 -21.889 1.00 0.00 H new ATOM 0 HG3 ARG A 3 -12.304 -9.865 -22.689 1.00 0.00 H new ATOM 0 HD2 ARG A 3 -11.024 -9.759 -24.842 1.00 0.00 H new ATOM 0 HD3 ARG A 3 -9.631 -10.445 -24.028 1.00 0.00 H new ATOM 0 HE ARG A 3 -11.909 -12.150 -23.609 1.00 0.00 H new ATOM 0 HH11 ARG A 3 -9.474 -11.222 -25.992 1.00 0.00 H new ATOM 0 HH12 ARG A 3 -9.679 -12.696 -26.945 1.00 0.00 H new ATOM 0 HH21 ARG A 3 -12.189 -14.022 -24.851 1.00 0.00 H new ATOM 0 HH22 ARG A 3 -11.211 -14.276 -26.301 1.00 0.00 H new ATOM 63 N HIS A 4 -11.029 -5.452 -21.144 1.00 0.00 N ATOM 64 CA HIS A 4 -10.462 -4.112 -21.009 1.00 0.00 C ATOM 65 C HIS A 4 -9.855 -3.931 -19.630 1.00 0.00 C ATOM 66 O HIS A 4 -8.708 -3.510 -19.487 1.00 0.00 O ATOM 67 CB HIS A 4 -11.542 -3.051 -21.208 1.00 0.00 C ATOM 68 CG HIS A 4 -11.005 -1.654 -21.302 1.00 0.00 C ATOM 69 ND1 HIS A 4 -10.063 -1.272 -22.229 1.00 0.00 N ATOM 70 CD2 HIS A 4 -11.290 -0.546 -20.581 1.00 0.00 C ATOM 71 CE1 HIS A 4 -9.790 0.009 -22.075 1.00 0.00 C ATOM 72 NE2 HIS A 4 -10.523 0.475 -21.083 1.00 0.00 N ATOM 0 H HIS A 4 -12.007 -5.467 -21.432 1.00 0.00 H new ATOM 0 HA HIS A 4 -9.690 -3.998 -21.770 1.00 0.00 H new ATOM 0 HB2 HIS A 4 -12.099 -3.278 -22.117 1.00 0.00 H new ATOM 0 HB3 HIS A 4 -12.248 -3.104 -20.379 1.00 0.00 H new ATOM 0 HD2 HIS A 4 -11.991 -0.477 -19.762 1.00 0.00 H new ATOM 0 HE1 HIS A 4 -9.085 0.580 -22.662 1.00 0.00 H new ATOM 0 HE2 HIS A 4 -10.520 1.437 -20.744 1.00 0.00 H new ATOM 81 N GLN A 5 -10.640 -4.263 -18.619 1.00 0.00 N ATOM 82 CA GLN A 5 -10.188 -4.165 -17.251 1.00 0.00 C ATOM 83 C GLN A 5 -9.679 -5.519 -16.756 1.00 0.00 C ATOM 84 O GLN A 5 -8.979 -6.236 -17.476 1.00 0.00 O ATOM 85 CB GLN A 5 -11.316 -3.643 -16.344 1.00 0.00 C ATOM 86 CG GLN A 5 -12.597 -4.463 -16.412 1.00 0.00 C ATOM 87 CD GLN A 5 -13.603 -4.095 -15.334 1.00 0.00 C ATOM 88 OE1 GLN A 5 -13.335 -3.030 -14.594 1.00 0.00 O flip ATOM 89 NE2 GLN A 5 -14.625 -4.764 -15.174 1.00 0.00 N flip ATOM 0 H GLN A 5 -11.596 -4.603 -18.726 1.00 0.00 H new ATOM 0 HA GLN A 5 -9.363 -3.454 -17.212 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -10.961 -3.627 -15.313 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -11.542 -2.613 -16.619 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -13.057 -4.326 -17.391 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -12.349 -5.521 -16.322 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -14.799 -5.579 -15.763 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -15.297 -4.503 -14.453 1.00 0.00 H new ATOM 98 N PHE A 6 -10.029 -5.832 -15.516 1.00 0.00 N ATOM 99 CA PHE A 6 -9.631 -7.062 -14.844 1.00 0.00 C ATOM 100 C PHE A 6 -8.117 -7.126 -14.649 1.00 0.00 C ATOM 101 O PHE A 6 -7.609 -8.078 -14.063 1.00 0.00 O ATOM 102 CB PHE A 6 -10.157 -8.306 -15.560 1.00 0.00 C ATOM 103 CG PHE A 6 -10.254 -9.503 -14.653 1.00 0.00 C ATOM 104 CD1 PHE A 6 -10.453 -9.339 -13.286 1.00 0.00 C ATOM 105 CD2 PHE A 6 -10.151 -10.787 -15.160 1.00 0.00 C ATOM 106 CE1 PHE A 6 -10.544 -10.435 -12.450 1.00 0.00 C ATOM 107 CE2 PHE A 6 -10.244 -11.885 -14.326 1.00 0.00 C ATOM 108 CZ PHE A 6 -10.442 -11.709 -12.972 1.00 0.00 C ATOM 0 H PHE A 6 -10.610 -5.226 -14.937 1.00 0.00 H new ATOM 0 HA PHE A 6 -10.091 -7.048 -13.856 1.00 0.00 H new ATOM 0 HB2 PHE A 6 -11.141 -8.091 -15.977 1.00 0.00 H new ATOM 0 HB3 PHE A 6 -9.501 -8.543 -16.397 1.00 0.00 H new ATOM 0 HD1 PHE A 6 -10.537 -8.344 -12.874 1.00 0.00 H new ATOM 0 HD2 PHE A 6 -9.996 -10.932 -16.219 1.00 0.00 H new ATOM 0 HE1 PHE A 6 -10.695 -10.295 -11.390 1.00 0.00 H new ATOM 0 HE2 PHE A 6 -10.162 -12.881 -14.734 1.00 0.00 H new ATOM 0 HZ PHE A 6 -10.517 -12.567 -12.321 1.00 0.00 H new ATOM 118 N ASP A 7 -7.491 -5.963 -14.774 1.00 0.00 N ATOM 119 CA ASP A 7 -6.163 -5.768 -14.206 1.00 0.00 C ATOM 120 C ASP A 7 -6.378 -5.205 -12.816 1.00 0.00 C ATOM 121 O ASP A 7 -5.626 -4.365 -12.324 1.00 0.00 O ATOM 122 CB ASP A 7 -5.312 -4.801 -15.040 1.00 0.00 C ATOM 123 CG ASP A 7 -4.988 -5.329 -16.422 1.00 0.00 C ATOM 124 OD1 ASP A 7 -4.330 -6.385 -16.528 1.00 0.00 O ATOM 125 OD2 ASP A 7 -5.383 -4.679 -17.414 1.00 0.00 O ATOM 0 H ASP A 7 -7.875 -5.150 -15.257 1.00 0.00 H new ATOM 0 HA ASP A 7 -5.620 -6.713 -14.189 1.00 0.00 H new ATOM 0 HB2 ASP A 7 -5.840 -3.852 -15.135 1.00 0.00 H new ATOM 0 HB3 ASP A 7 -4.382 -4.596 -14.510 1.00 0.00 H new ATOM 130 N LEU A 8 -7.546 -5.542 -12.298 1.00 0.00 N ATOM 131 CA LEU A 8 -8.053 -5.013 -11.058 1.00 0.00 C ATOM 132 C LEU A 8 -7.346 -5.675 -9.891 1.00 0.00 C ATOM 133 O LEU A 8 -7.672 -6.805 -9.527 1.00 0.00 O ATOM 134 CB LEU A 8 -9.556 -5.261 -10.986 1.00 0.00 C ATOM 135 CG LEU A 8 -10.396 -4.742 -12.166 1.00 0.00 C ATOM 136 CD1 LEU A 8 -11.709 -4.238 -11.639 1.00 0.00 C ATOM 137 CD2 LEU A 8 -9.704 -3.637 -12.955 1.00 0.00 C ATOM 0 H LEU A 8 -8.178 -6.207 -12.744 1.00 0.00 H new ATOM 0 HA LEU A 8 -7.867 -3.940 -11.009 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -9.720 -6.335 -10.897 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -9.934 -4.804 -10.071 1.00 0.00 H new ATOM 0 HG LEU A 8 -10.541 -5.573 -12.856 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -12.315 -3.867 -12.466 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -12.236 -5.050 -11.139 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -11.530 -3.430 -10.929 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -10.349 -3.315 -13.773 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -9.503 -2.791 -12.297 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -8.764 -4.013 -13.360 1.00 0.00 H new ATOM 149 N ILE A 9 -6.303 -5.024 -9.396 1.00 0.00 N ATOM 150 CA ILE A 9 -5.441 -5.600 -8.386 1.00 0.00 C ATOM 151 C ILE A 9 -4.254 -4.674 -8.158 1.00 0.00 C ATOM 152 O ILE A 9 -4.195 -3.608 -8.759 1.00 0.00 O ATOM 153 CB ILE A 9 -4.977 -6.996 -8.840 1.00 0.00 C ATOM 154 CG1 ILE A 9 -4.822 -7.933 -7.646 1.00 0.00 C ATOM 155 CG2 ILE A 9 -3.704 -6.872 -9.627 1.00 0.00 C ATOM 156 CD1 ILE A 9 -6.034 -7.904 -6.747 1.00 0.00 C ATOM 0 H ILE A 9 -6.035 -4.084 -9.686 1.00 0.00 H new ATOM 0 HA ILE A 9 -5.982 -5.711 -7.446 1.00 0.00 H new ATOM 0 HB ILE A 9 -5.736 -7.435 -9.488 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -4.658 -8.950 -8.002 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -3.939 -7.649 -7.074 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -3.377 -7.861 -9.948 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -3.877 -6.245 -10.502 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -2.933 -6.419 -9.003 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -5.882 -8.585 -5.910 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -6.183 -6.892 -6.370 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -6.913 -8.214 -7.312 1.00 0.00 H new ATOM 168 N MET A 10 -3.365 -5.032 -7.247 1.00 0.00 N ATOM 169 CA MET A 10 -2.192 -4.220 -6.962 1.00 0.00 C ATOM 170 C MET A 10 -1.359 -3.957 -8.214 1.00 0.00 C ATOM 171 O MET A 10 -1.129 -4.845 -9.038 1.00 0.00 O ATOM 172 CB MET A 10 -1.306 -4.871 -5.900 1.00 0.00 C ATOM 173 CG MET A 10 -1.840 -6.182 -5.348 1.00 0.00 C ATOM 174 SD MET A 10 -3.372 -5.963 -4.425 1.00 0.00 S ATOM 175 CE MET A 10 -2.936 -4.545 -3.420 1.00 0.00 C ATOM 0 H MET A 10 -3.433 -5.883 -6.689 1.00 0.00 H new ATOM 0 HA MET A 10 -2.566 -3.268 -6.585 1.00 0.00 H new ATOM 0 HB2 MET A 10 -0.319 -5.047 -6.327 1.00 0.00 H new ATOM 0 HB3 MET A 10 -1.176 -4.171 -5.075 1.00 0.00 H new ATOM 0 HG2 MET A 10 -2.010 -6.877 -6.170 1.00 0.00 H new ATOM 0 HG3 MET A 10 -1.089 -6.633 -4.699 1.00 0.00 H new ATOM 0 HE1 MET A 10 -3.677 -4.417 -2.631 1.00 0.00 H new ATOM 0 HE2 MET A 10 -1.954 -4.703 -2.974 1.00 0.00 H new ATOM 0 HE3 MET A 10 -2.912 -3.651 -4.043 1.00 0.00 H new ATOM 185 N CYS A 11 -0.918 -2.716 -8.312 1.00 0.00 N ATOM 186 CA CYS A 11 -0.089 -2.213 -9.401 1.00 0.00 C ATOM 187 C CYS A 11 1.159 -3.084 -9.613 1.00 0.00 C ATOM 188 O CYS A 11 1.465 -3.470 -10.743 1.00 0.00 O ATOM 189 CB CYS A 11 0.265 -0.764 -9.045 1.00 0.00 C ATOM 190 SG CYS A 11 1.572 0.027 -10.002 1.00 0.00 S ATOM 0 H CYS A 11 -1.132 -2.004 -7.614 1.00 0.00 H new ATOM 0 HA CYS A 11 -0.624 -2.250 -10.350 1.00 0.00 H new ATOM 0 HB2 CYS A 11 -0.638 -0.162 -9.145 1.00 0.00 H new ATOM 0 HB3 CYS A 11 0.552 -0.735 -7.994 1.00 0.00 H new ATOM 195 N LEU A 12 1.752 -3.527 -8.501 1.00 0.00 N ATOM 196 CA LEU A 12 2.835 -4.504 -8.492 1.00 0.00 C ATOM 197 C LEU A 12 3.912 -4.281 -9.554 1.00 0.00 C ATOM 198 O LEU A 12 4.447 -5.243 -10.109 1.00 0.00 O ATOM 199 CB LEU A 12 2.260 -5.906 -8.601 1.00 0.00 C ATOM 200 CG LEU A 12 2.502 -6.776 -7.373 1.00 0.00 C ATOM 201 CD1 LEU A 12 2.004 -6.093 -6.112 1.00 0.00 C ATOM 202 CD2 LEU A 12 1.832 -8.120 -7.543 1.00 0.00 C ATOM 0 H LEU A 12 1.486 -3.210 -7.569 1.00 0.00 H new ATOM 0 HA LEU A 12 3.348 -4.372 -7.540 1.00 0.00 H new ATOM 0 HB2 LEU A 12 1.187 -5.834 -8.776 1.00 0.00 H new ATOM 0 HB3 LEU A 12 2.693 -6.398 -9.472 1.00 0.00 H new ATOM 0 HG LEU A 12 3.577 -6.928 -7.272 1.00 0.00 H new ATOM 0 HD11 LEU A 12 2.190 -6.737 -5.252 1.00 0.00 H new ATOM 0 HD12 LEU A 12 2.530 -5.148 -5.978 1.00 0.00 H new ATOM 0 HD13 LEU A 12 0.934 -5.904 -6.199 1.00 0.00 H new ATOM 0 HD21 LEU A 12 2.013 -8.731 -6.659 1.00 0.00 H new ATOM 0 HD22 LEU A 12 0.759 -7.978 -7.673 1.00 0.00 H new ATOM 0 HD23 LEU A 12 2.240 -8.622 -8.420 1.00 0.00 H new ATOM 214 N LYS A 13 4.369 -3.045 -9.687 1.00 0.00 N ATOM 215 CA LYS A 13 5.556 -2.774 -10.483 1.00 0.00 C ATOM 216 C LYS A 13 6.791 -2.883 -9.612 1.00 0.00 C ATOM 217 O LYS A 13 6.778 -3.555 -8.575 1.00 0.00 O ATOM 218 CB LYS A 13 5.500 -1.383 -11.107 1.00 0.00 C ATOM 219 CG LYS A 13 4.348 -1.163 -12.056 1.00 0.00 C ATOM 220 CD LYS A 13 4.497 0.165 -12.749 1.00 0.00 C ATOM 221 CE LYS A 13 3.200 0.599 -13.376 1.00 0.00 C ATOM 222 NZ LYS A 13 2.762 -0.304 -14.477 1.00 0.00 N ATOM 0 H LYS A 13 3.942 -2.223 -9.260 1.00 0.00 H new ATOM 0 HA LYS A 13 5.598 -3.510 -11.286 1.00 0.00 H new ATOM 0 HB2 LYS A 13 5.441 -0.644 -10.308 1.00 0.00 H new ATOM 0 HB3 LYS A 13 6.433 -1.202 -11.641 1.00 0.00 H new ATOM 0 HG2 LYS A 13 4.315 -1.965 -12.793 1.00 0.00 H new ATOM 0 HG3 LYS A 13 3.405 -1.193 -11.510 1.00 0.00 H new ATOM 0 HD2 LYS A 13 4.827 0.917 -12.033 1.00 0.00 H new ATOM 0 HD3 LYS A 13 5.269 0.094 -13.515 1.00 0.00 H new ATOM 0 HE2 LYS A 13 2.425 0.634 -12.610 1.00 0.00 H new ATOM 0 HE3 LYS A 13 3.310 1.612 -13.764 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 1.882 0.060 -14.895 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 3.501 -0.345 -15.207 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 2.596 -1.258 -14.098 1.00 0.00 H new ATOM 236 N GLN A 14 7.823 -2.159 -9.991 1.00 0.00 N ATOM 237 CA GLN A 14 9.053 -2.130 -9.229 1.00 0.00 C ATOM 238 C GLN A 14 8.966 -1.073 -8.132 1.00 0.00 C ATOM 239 O GLN A 14 8.798 0.113 -8.422 1.00 0.00 O ATOM 240 CB GLN A 14 10.225 -1.851 -10.167 1.00 0.00 C ATOM 241 CG GLN A 14 11.572 -1.844 -9.480 1.00 0.00 C ATOM 242 CD GLN A 14 11.862 -3.128 -8.730 1.00 0.00 C ATOM 243 OE1 GLN A 14 12.251 -2.998 -7.473 1.00 0.00 O flip ATOM 244 NE2 GLN A 14 11.750 -4.226 -9.279 1.00 0.00 N flip ATOM 0 H GLN A 14 7.833 -1.578 -10.829 1.00 0.00 H new ATOM 0 HA GLN A 14 9.211 -3.097 -8.752 1.00 0.00 H new ATOM 0 HB2 GLN A 14 10.234 -2.604 -10.955 1.00 0.00 H new ATOM 0 HB3 GLN A 14 10.069 -0.886 -10.650 1.00 0.00 H new ATOM 0 HG2 GLN A 14 12.352 -1.680 -10.224 1.00 0.00 H new ATOM 0 HG3 GLN A 14 11.614 -1.006 -8.784 1.00 0.00 H new ATOM 0 HE21 GLN A 14 11.447 -4.281 -10.251 1.00 0.00 H new ATOM 0 HE22 GLN A 14 11.961 -5.079 -8.761 1.00 0.00 H new ATOM 253 N PRO A 15 8.998 -1.503 -6.859 1.00 0.00 N ATOM 254 CA PRO A 15 8.856 -0.606 -5.707 1.00 0.00 C ATOM 255 C PRO A 15 9.925 0.480 -5.667 1.00 0.00 C ATOM 256 O PRO A 15 11.116 0.210 -5.847 1.00 0.00 O ATOM 257 CB PRO A 15 9.003 -1.537 -4.501 1.00 0.00 C ATOM 258 CG PRO A 15 8.648 -2.886 -5.015 1.00 0.00 C ATOM 259 CD PRO A 15 9.107 -2.912 -6.442 1.00 0.00 C ATOM 0 HA PRO A 15 7.908 -0.068 -5.738 1.00 0.00 H new ATOM 0 HB2 PRO A 15 10.020 -1.518 -4.109 1.00 0.00 H new ATOM 0 HB3 PRO A 15 8.342 -1.237 -3.688 1.00 0.00 H new ATOM 0 HG2 PRO A 15 9.136 -3.667 -4.433 1.00 0.00 H new ATOM 0 HG3 PRO A 15 7.574 -3.061 -4.946 1.00 0.00 H new ATOM 0 HD2 PRO A 15 10.130 -3.279 -6.529 1.00 0.00 H new ATOM 0 HD3 PRO A 15 8.482 -3.562 -7.054 1.00 0.00 H new ATOM 267 N GLY A 16 9.492 1.696 -5.374 1.00 0.00 N ATOM 268 CA GLY A 16 10.409 2.799 -5.231 1.00 0.00 C ATOM 269 C GLY A 16 10.951 2.888 -3.823 1.00 0.00 C ATOM 270 O GLY A 16 11.663 1.994 -3.364 1.00 0.00 O ATOM 0 H GLY A 16 8.511 1.937 -5.232 1.00 0.00 H new ATOM 0 HA2 GLY A 16 11.234 2.681 -5.933 1.00 0.00 H new ATOM 0 HA3 GLY A 16 9.903 3.730 -5.487 1.00 0.00 H new ATOM 274 N VAL A 17 10.569 3.939 -3.120 1.00 0.00 N ATOM 275 CA VAL A 17 11.003 4.137 -1.747 1.00 0.00 C ATOM 276 C VAL A 17 9.909 4.820 -0.922 1.00 0.00 C ATOM 277 O VAL A 17 9.840 4.651 0.297 1.00 0.00 O ATOM 278 CB VAL A 17 12.311 4.964 -1.687 1.00 0.00 C ATOM 279 CG1 VAL A 17 12.091 6.385 -2.189 1.00 0.00 C ATOM 280 CG2 VAL A 17 12.888 4.968 -0.280 1.00 0.00 C ATOM 0 H VAL A 17 9.957 4.672 -3.478 1.00 0.00 H new ATOM 0 HA VAL A 17 11.199 3.154 -1.319 1.00 0.00 H new ATOM 0 HB VAL A 17 13.035 4.487 -2.348 1.00 0.00 H new ATOM 0 HG11 VAL A 17 13.028 6.939 -2.134 1.00 0.00 H new ATOM 0 HG12 VAL A 17 11.746 6.356 -3.223 1.00 0.00 H new ATOM 0 HG13 VAL A 17 11.341 6.878 -1.570 1.00 0.00 H new ATOM 0 HG21 VAL A 17 13.806 5.555 -0.265 1.00 0.00 H new ATOM 0 HG22 VAL A 17 12.165 5.406 0.408 1.00 0.00 H new ATOM 0 HG23 VAL A 17 13.107 3.945 0.026 1.00 0.00 H new ATOM 290 N GLN A 18 9.054 5.588 -1.590 1.00 0.00 N ATOM 291 CA GLN A 18 7.980 6.300 -0.914 1.00 0.00 C ATOM 292 C GLN A 18 6.955 5.336 -0.327 1.00 0.00 C ATOM 293 O GLN A 18 6.551 4.361 -0.967 1.00 0.00 O ATOM 294 CB GLN A 18 7.317 7.295 -1.870 1.00 0.00 C ATOM 295 CG GLN A 18 8.163 8.537 -2.102 1.00 0.00 C ATOM 296 CD GLN A 18 7.417 9.635 -2.830 1.00 0.00 C ATOM 297 OE1 GLN A 18 6.430 10.176 -2.327 1.00 0.00 O ATOM 298 NE2 GLN A 18 7.888 9.975 -4.020 1.00 0.00 N ATOM 0 H GLN A 18 9.086 5.732 -2.599 1.00 0.00 H new ATOM 0 HA GLN A 18 8.413 6.857 -0.083 1.00 0.00 H new ATOM 0 HB2 GLN A 18 7.129 6.805 -2.825 1.00 0.00 H new ATOM 0 HB3 GLN A 18 6.348 7.590 -1.467 1.00 0.00 H new ATOM 0 HG2 GLN A 18 8.511 8.917 -1.142 1.00 0.00 H new ATOM 0 HG3 GLN A 18 9.048 8.264 -2.677 1.00 0.00 H new ATOM 0 HE21 GLN A 18 8.708 9.501 -4.398 1.00 0.00 H new ATOM 0 HE22 GLN A 18 7.431 10.711 -4.558 1.00 0.00 H new ATOM 307 N THR A 19 6.620 5.572 0.932 1.00 0.00 N ATOM 308 CA THR A 19 5.709 4.716 1.669 1.00 0.00 C ATOM 309 C THR A 19 4.262 4.967 1.245 1.00 0.00 C ATOM 310 O THR A 19 3.840 6.116 1.102 1.00 0.00 O ATOM 311 CB THR A 19 5.855 4.963 3.183 1.00 0.00 C ATOM 312 OG1 THR A 19 7.247 5.060 3.520 1.00 0.00 O ATOM 313 CG2 THR A 19 5.218 3.844 3.989 1.00 0.00 C ATOM 0 H THR A 19 6.973 6.363 1.470 1.00 0.00 H new ATOM 0 HA THR A 19 5.963 3.680 1.445 1.00 0.00 H new ATOM 0 HB THR A 19 5.343 5.894 3.427 1.00 0.00 H new ATOM 0 HG1 THR A 19 7.340 5.219 4.483 1.00 0.00 H new ATOM 0 HG21 THR A 19 5.338 4.048 5.053 1.00 0.00 H new ATOM 0 HG22 THR A 19 4.157 3.781 3.749 1.00 0.00 H new ATOM 0 HG23 THR A 19 5.702 2.898 3.744 1.00 0.00 H new ATOM 321 N GLY A 20 3.513 3.890 1.043 1.00 0.00 N ATOM 322 CA GLY A 20 2.124 4.015 0.650 1.00 0.00 C ATOM 323 C GLY A 20 1.236 4.433 1.806 1.00 0.00 C ATOM 324 O GLY A 20 1.144 3.729 2.812 1.00 0.00 O ATOM 0 H GLY A 20 3.844 2.931 1.145 1.00 0.00 H new ATOM 0 HA2 GLY A 20 2.040 4.747 -0.153 1.00 0.00 H new ATOM 0 HA3 GLY A 20 1.774 3.063 0.251 1.00 0.00 H new ATOM 328 N LEU A 21 0.597 5.584 1.667 1.00 0.00 N ATOM 329 CA LEU A 21 -0.267 6.113 2.711 1.00 0.00 C ATOM 330 C LEU A 21 -1.708 5.652 2.535 1.00 0.00 C ATOM 331 O LEU A 21 -2.219 5.571 1.417 1.00 0.00 O ATOM 332 CB LEU A 21 -0.213 7.641 2.723 1.00 0.00 C ATOM 333 CG LEU A 21 1.115 8.250 3.178 1.00 0.00 C ATOM 334 CD1 LEU A 21 1.091 9.756 3.006 1.00 0.00 C ATOM 335 CD2 LEU A 21 1.401 7.895 4.626 1.00 0.00 C ATOM 0 H LEU A 21 0.661 6.173 0.837 1.00 0.00 H new ATOM 0 HA LEU A 21 0.099 5.729 3.663 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -0.433 8.003 1.719 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -1.004 8.010 3.375 1.00 0.00 H new ATOM 0 HG LEU A 21 1.910 7.837 2.557 1.00 0.00 H new ATOM 0 HD11 LEU A 21 2.042 10.175 3.334 1.00 0.00 H new ATOM 0 HD12 LEU A 21 0.930 10.000 1.956 1.00 0.00 H new ATOM 0 HD13 LEU A 21 0.283 10.178 3.604 1.00 0.00 H new ATOM 0 HD21 LEU A 21 2.350 8.338 4.929 1.00 0.00 H new ATOM 0 HD22 LEU A 21 0.602 8.280 5.260 1.00 0.00 H new ATOM 0 HD23 LEU A 21 1.457 6.811 4.731 1.00 0.00 H new ATOM 347 N LEU A 22 -2.372 5.401 3.652 1.00 0.00 N ATOM 348 CA LEU A 22 -3.783 5.052 3.662 1.00 0.00 C ATOM 349 C LEU A 22 -4.602 6.244 4.115 1.00 0.00 C ATOM 350 O LEU A 22 -4.306 6.843 5.151 1.00 0.00 O ATOM 351 CB LEU A 22 -4.054 3.886 4.616 1.00 0.00 C ATOM 352 CG LEU A 22 -3.359 2.579 4.271 1.00 0.00 C ATOM 353 CD1 LEU A 22 -3.761 1.494 5.256 1.00 0.00 C ATOM 354 CD2 LEU A 22 -3.689 2.162 2.849 1.00 0.00 C ATOM 0 H LEU A 22 -1.947 5.434 4.579 1.00 0.00 H new ATOM 0 HA LEU A 22 -4.063 4.759 2.650 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -3.751 4.184 5.620 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -5.129 3.708 4.647 1.00 0.00 H new ATOM 0 HG LEU A 22 -2.281 2.727 4.342 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -3.256 0.563 4.998 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -3.475 1.794 6.264 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -4.840 1.346 5.214 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -3.183 1.224 2.618 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -4.766 2.027 2.750 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -3.355 2.934 2.156 1.00 0.00 H new ATOM 366 N CYS A 23 -5.677 6.535 3.400 1.00 0.00 N ATOM 367 CA CYS A 23 -6.600 7.570 3.834 1.00 0.00 C ATOM 368 C CYS A 23 -7.356 7.057 5.047 1.00 0.00 C ATOM 369 O CYS A 23 -7.460 5.846 5.231 1.00 0.00 O ATOM 370 CB CYS A 23 -7.581 7.951 2.723 1.00 0.00 C ATOM 371 SG CYS A 23 -8.981 6.824 2.535 1.00 0.00 S ATOM 0 H CYS A 23 -5.930 6.074 2.526 1.00 0.00 H new ATOM 0 HA CYS A 23 -6.036 8.468 4.087 1.00 0.00 H new ATOM 0 HB2 CYS A 23 -7.962 8.953 2.921 1.00 0.00 H new ATOM 0 HB3 CYS A 23 -7.039 7.997 1.778 1.00 0.00 H new ATOM 376 N GLU A 24 -7.828 7.966 5.885 1.00 0.00 N ATOM 377 CA GLU A 24 -8.510 7.608 7.131 1.00 0.00 C ATOM 378 C GLU A 24 -9.596 6.545 6.915 1.00 0.00 C ATOM 379 O GLU A 24 -9.874 5.744 7.805 1.00 0.00 O ATOM 380 CB GLU A 24 -9.126 8.858 7.754 1.00 0.00 C ATOM 381 CG GLU A 24 -8.122 9.980 7.962 1.00 0.00 C ATOM 382 CD GLU A 24 -8.764 11.244 8.490 1.00 0.00 C ATOM 383 OE1 GLU A 24 -9.274 11.227 9.632 1.00 0.00 O ATOM 384 OE2 GLU A 24 -8.780 12.258 7.763 1.00 0.00 O ATOM 0 H GLU A 24 -7.753 8.971 5.727 1.00 0.00 H new ATOM 0 HA GLU A 24 -7.766 7.181 7.803 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -9.933 9.215 7.114 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -9.572 8.596 8.713 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -7.352 9.649 8.659 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -7.624 10.197 7.017 1.00 0.00 H new ATOM 391 N LYS A 25 -10.232 6.569 5.747 1.00 0.00 N ATOM 392 CA LYS A 25 -11.315 5.637 5.444 1.00 0.00 C ATOM 393 C LYS A 25 -10.806 4.204 5.244 1.00 0.00 C ATOM 394 O LYS A 25 -11.388 3.253 5.769 1.00 0.00 O ATOM 395 CB LYS A 25 -12.076 6.094 4.196 1.00 0.00 C ATOM 396 CG LYS A 25 -12.552 7.536 4.265 1.00 0.00 C ATOM 397 CD LYS A 25 -13.413 7.783 5.490 1.00 0.00 C ATOM 398 CE LYS A 25 -13.792 9.246 5.612 1.00 0.00 C ATOM 399 NZ LYS A 25 -14.529 9.524 6.868 1.00 0.00 N ATOM 0 H LYS A 25 -10.017 7.223 4.995 1.00 0.00 H new ATOM 0 HA LYS A 25 -11.986 5.634 6.303 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -11.432 5.974 3.325 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -12.937 5.443 4.048 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -11.690 8.203 4.285 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -13.120 7.775 3.366 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -14.316 7.175 5.431 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -12.875 7.469 6.384 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -12.891 9.858 5.577 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -14.407 9.534 4.759 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -14.770 10.535 6.913 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -15.402 8.959 6.891 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -13.933 9.273 7.683 1.00 0.00 H new ATOM 413 N CYS A 26 -9.701 4.049 4.521 1.00 0.00 N ATOM 414 CA CYS A 26 -9.134 2.728 4.282 1.00 0.00 C ATOM 415 C CYS A 26 -8.146 2.382 5.384 1.00 0.00 C ATOM 416 O CYS A 26 -7.630 1.270 5.442 1.00 0.00 O ATOM 417 CB CYS A 26 -8.424 2.661 2.925 1.00 0.00 C ATOM 418 SG CYS A 26 -9.394 3.255 1.516 1.00 0.00 S ATOM 0 H CYS A 26 -9.184 4.817 4.093 1.00 0.00 H new ATOM 0 HA CYS A 26 -9.953 2.009 4.278 1.00 0.00 H new ATOM 0 HB2 CYS A 26 -7.505 3.244 2.985 1.00 0.00 H new ATOM 0 HB3 CYS A 26 -8.134 1.628 2.736 1.00 0.00 H new ATOM 423 N ASP A 27 -7.814 3.388 6.183 1.00 0.00 N ATOM 424 CA ASP A 27 -6.807 3.257 7.227 1.00 0.00 C ATOM 425 C ASP A 27 -7.140 2.102 8.154 1.00 0.00 C ATOM 426 O ASP A 27 -8.194 2.074 8.791 1.00 0.00 O ATOM 427 CB ASP A 27 -6.712 4.554 8.029 1.00 0.00 C ATOM 428 CG ASP A 27 -5.527 4.583 8.974 1.00 0.00 C ATOM 429 OD1 ASP A 27 -4.635 3.714 8.863 1.00 0.00 O ATOM 430 OD2 ASP A 27 -5.474 5.497 9.823 1.00 0.00 O ATOM 0 H ASP A 27 -8.234 4.316 6.126 1.00 0.00 H new ATOM 0 HA ASP A 27 -5.846 3.056 6.753 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -6.641 5.396 7.340 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -7.630 4.688 8.602 1.00 0.00 H new ATOM 435 N GLY A 28 -6.277 1.111 8.141 1.00 0.00 N ATOM 436 CA GLY A 28 -6.504 -0.083 8.921 1.00 0.00 C ATOM 437 C GLY A 28 -6.632 -1.303 8.044 1.00 0.00 C ATOM 438 O GLY A 28 -6.245 -2.405 8.433 1.00 0.00 O ATOM 0 H GLY A 28 -5.413 1.109 7.599 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -5.681 -0.223 9.622 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -7.411 0.036 9.514 1.00 0.00 H new ATOM 442 N LYS A 29 -7.154 -1.102 6.844 1.00 0.00 N ATOM 443 CA LYS A 29 -7.293 -2.185 5.886 1.00 0.00 C ATOM 444 C LYS A 29 -5.953 -2.498 5.238 1.00 0.00 C ATOM 445 O LYS A 29 -5.340 -1.623 4.628 1.00 0.00 O ATOM 446 CB LYS A 29 -8.293 -1.813 4.784 1.00 0.00 C ATOM 447 CG LYS A 29 -9.693 -1.494 5.279 1.00 0.00 C ATOM 448 CD LYS A 29 -10.606 -1.102 4.126 1.00 0.00 C ATOM 449 CE LYS A 29 -12.035 -0.857 4.589 1.00 0.00 C ATOM 450 NZ LYS A 29 -12.138 0.289 5.531 1.00 0.00 N ATOM 0 H LYS A 29 -7.488 -0.198 6.511 1.00 0.00 H new ATOM 0 HA LYS A 29 -7.656 -3.059 6.428 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -7.909 -0.950 4.240 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -8.353 -2.637 4.073 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -10.106 -2.361 5.795 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -9.649 -0.682 6.005 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -10.220 -0.202 3.648 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -10.599 -1.890 3.373 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -12.668 -0.669 3.722 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -12.416 -1.756 5.072 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -13.131 0.588 5.606 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -11.791 0.000 6.468 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -11.563 1.081 5.178 1.00 0.00 H new ATOM 464 N CYS A 30 -5.559 -3.762 5.269 1.00 0.00 N ATOM 465 CA CYS A 30 -4.393 -4.204 4.523 1.00 0.00 C ATOM 466 C CYS A 30 -4.715 -4.117 3.032 1.00 0.00 C ATOM 467 O CYS A 30 -5.701 -4.693 2.582 1.00 0.00 O ATOM 468 CB CYS A 30 -4.036 -5.634 4.929 1.00 0.00 C ATOM 469 SG CYS A 30 -2.710 -6.402 3.968 1.00 0.00 S ATOM 0 H CYS A 30 -6.028 -4.496 5.800 1.00 0.00 H new ATOM 0 HA CYS A 30 -3.533 -3.571 4.740 1.00 0.00 H new ATOM 0 HB2 CYS A 30 -3.748 -5.634 5.980 1.00 0.00 H new ATOM 0 HB3 CYS A 30 -4.930 -6.252 4.843 1.00 0.00 H new ATOM 474 N PRO A 31 -3.971 -3.289 2.281 1.00 0.00 N ATOM 475 CA PRO A 31 -4.282 -2.975 0.880 1.00 0.00 C ATOM 476 C PRO A 31 -4.462 -4.210 0.001 1.00 0.00 C ATOM 477 O PRO A 31 -5.302 -4.226 -0.897 1.00 0.00 O ATOM 478 CB PRO A 31 -3.071 -2.152 0.407 1.00 0.00 C ATOM 479 CG PRO A 31 -2.082 -2.187 1.529 1.00 0.00 C ATOM 480 CD PRO A 31 -2.869 -2.459 2.776 1.00 0.00 C ATOM 0 HA PRO A 31 -5.233 -2.448 0.804 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -2.644 -2.575 -0.502 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -3.362 -1.127 0.176 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -1.334 -2.963 1.364 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -1.547 -1.240 1.606 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -2.274 -2.980 3.526 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -3.229 -1.539 3.237 1.00 0.00 H new ATOM 488 N ILE A 32 -3.608 -5.199 0.198 1.00 0.00 N ATOM 489 CA ILE A 32 -3.602 -6.380 -0.654 1.00 0.00 C ATOM 490 C ILE A 32 -4.849 -7.247 -0.467 1.00 0.00 C ATOM 491 O ILE A 32 -5.401 -7.755 -1.440 1.00 0.00 O ATOM 492 CB ILE A 32 -2.341 -7.233 -0.402 1.00 0.00 C ATOM 493 CG1 ILE A 32 -1.084 -6.454 -0.823 1.00 0.00 C ATOM 494 CG2 ILE A 32 -2.440 -8.567 -1.136 1.00 0.00 C ATOM 495 CD1 ILE A 32 -0.512 -6.848 -2.169 1.00 0.00 C ATOM 0 H ILE A 32 -2.909 -5.210 0.940 1.00 0.00 H new ATOM 0 HA ILE A 32 -3.600 -6.016 -1.681 1.00 0.00 H new ATOM 0 HB ILE A 32 -2.266 -7.448 0.664 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -1.323 -5.391 -0.843 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -0.316 -6.594 -0.063 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -1.542 -9.154 -0.946 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -3.313 -9.114 -0.780 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -2.536 -8.387 -2.207 1.00 0.00 H new ATOM 0 HD11 ILE A 32 0.371 -6.245 -2.379 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -0.236 -7.902 -2.153 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -1.259 -6.680 -2.945 1.00 0.00 H new ATOM 507 N CYS A 33 -5.199 -7.542 0.777 1.00 0.00 N ATOM 508 CA CYS A 33 -6.240 -8.529 1.034 1.00 0.00 C ATOM 509 C CYS A 33 -7.521 -7.909 1.594 1.00 0.00 C ATOM 510 O CYS A 33 -8.517 -8.611 1.772 1.00 0.00 O ATOM 511 CB CYS A 33 -5.713 -9.606 1.984 1.00 0.00 C ATOM 512 SG CYS A 33 -5.352 -9.017 3.653 1.00 0.00 S ATOM 0 H CYS A 33 -4.787 -7.122 1.610 1.00 0.00 H new ATOM 0 HA CYS A 33 -6.502 -8.977 0.075 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -6.447 -10.409 2.046 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -4.806 -10.036 1.559 1.00 0.00 H new ATOM 517 N ASP A 34 -7.470 -6.619 1.923 1.00 0.00 N ATOM 518 CA ASP A 34 -8.608 -5.916 2.523 1.00 0.00 C ATOM 519 C ASP A 34 -9.013 -6.587 3.833 1.00 0.00 C ATOM 520 O ASP A 34 -10.005 -7.317 3.899 1.00 0.00 O ATOM 521 CB ASP A 34 -9.801 -5.857 1.557 1.00 0.00 C ATOM 522 CG ASP A 34 -10.865 -4.856 1.984 1.00 0.00 C ATOM 523 OD1 ASP A 34 -11.448 -5.007 3.080 1.00 0.00 O ATOM 524 OD2 ASP A 34 -11.134 -3.912 1.212 1.00 0.00 O ATOM 0 H ASP A 34 -6.646 -6.034 1.783 1.00 0.00 H new ATOM 0 HA ASP A 34 -8.299 -4.892 2.732 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -9.442 -5.595 0.562 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -10.251 -6.847 1.483 1.00 0.00 H new ATOM 529 N SER A 35 -8.178 -6.424 4.845 1.00 0.00 N ATOM 530 CA SER A 35 -8.399 -7.072 6.126 1.00 0.00 C ATOM 531 C SER A 35 -7.613 -6.355 7.219 1.00 0.00 C ATOM 532 O SER A 35 -6.479 -5.934 6.996 1.00 0.00 O ATOM 533 CB SER A 35 -7.976 -8.543 6.043 1.00 0.00 C ATOM 534 OG SER A 35 -8.285 -9.241 7.236 1.00 0.00 O ATOM 0 H SER A 35 -7.338 -5.846 4.804 1.00 0.00 H new ATOM 0 HA SER A 35 -9.460 -7.023 6.373 1.00 0.00 H new ATOM 0 HB2 SER A 35 -8.478 -9.020 5.201 1.00 0.00 H new ATOM 0 HB3 SER A 35 -6.905 -8.604 5.852 1.00 0.00 H new ATOM 0 HG SER A 35 -8.004 -10.176 7.150 1.00 0.00 H new ATOM 540 N TYR A 36 -8.230 -6.199 8.386 1.00 0.00 N ATOM 541 CA TYR A 36 -7.586 -5.525 9.515 1.00 0.00 C ATOM 542 C TYR A 36 -6.729 -6.498 10.325 1.00 0.00 C ATOM 543 O TYR A 36 -6.555 -6.329 11.535 1.00 0.00 O ATOM 544 CB TYR A 36 -8.630 -4.888 10.440 1.00 0.00 C ATOM 545 CG TYR A 36 -9.344 -3.685 9.859 1.00 0.00 C ATOM 546 CD1 TYR A 36 -10.112 -3.789 8.706 1.00 0.00 C ATOM 547 CD2 TYR A 36 -9.261 -2.442 10.478 1.00 0.00 C ATOM 548 CE1 TYR A 36 -10.773 -2.691 8.187 1.00 0.00 C ATOM 549 CE2 TYR A 36 -9.923 -1.341 9.965 1.00 0.00 C ATOM 550 CZ TYR A 36 -10.675 -1.471 8.819 1.00 0.00 C ATOM 551 OH TYR A 36 -11.332 -0.377 8.302 1.00 0.00 O ATOM 0 H TYR A 36 -9.176 -6.529 8.578 1.00 0.00 H new ATOM 0 HA TYR A 36 -6.946 -4.746 9.101 1.00 0.00 H new ATOM 0 HB2 TYR A 36 -9.372 -5.642 10.701 1.00 0.00 H new ATOM 0 HB3 TYR A 36 -8.140 -4.589 11.367 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -10.194 -4.743 8.207 1.00 0.00 H new ATOM 0 HD2 TYR A 36 -8.669 -2.335 11.375 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -11.364 -2.790 7.289 1.00 0.00 H new ATOM 0 HE2 TYR A 36 -9.850 -0.384 10.461 1.00 0.00 H new ATOM 0 HH TYR A 36 -11.160 0.405 8.867 1.00 0.00 H new ATOM 561 N VAL A 37 -6.185 -7.501 9.656 1.00 0.00 N ATOM 562 CA VAL A 37 -5.328 -8.483 10.306 1.00 0.00 C ATOM 563 C VAL A 37 -3.907 -7.929 10.470 1.00 0.00 C ATOM 564 O VAL A 37 -3.520 -7.003 9.755 1.00 0.00 O ATOM 565 CB VAL A 37 -5.329 -9.828 9.533 1.00 0.00 C ATOM 566 CG1 VAL A 37 -4.904 -9.630 8.090 1.00 0.00 C ATOM 567 CG2 VAL A 37 -4.450 -10.868 10.217 1.00 0.00 C ATOM 0 H VAL A 37 -6.322 -7.658 8.658 1.00 0.00 H new ATOM 0 HA VAL A 37 -5.728 -8.683 11.300 1.00 0.00 H new ATOM 0 HB VAL A 37 -6.352 -10.204 9.538 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -4.914 -10.589 7.573 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -5.595 -8.945 7.598 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -3.897 -9.213 8.061 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -4.475 -11.797 9.647 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -3.425 -10.501 10.268 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -4.820 -11.051 11.226 1.00 0.00 H new ATOM 577 N ARG A 38 -3.238 -8.370 11.541 1.00 0.00 N ATOM 578 CA ARG A 38 -1.947 -7.821 11.983 1.00 0.00 C ATOM 579 C ARG A 38 -1.018 -7.426 10.837 1.00 0.00 C ATOM 580 O ARG A 38 -0.547 -8.281 10.096 1.00 0.00 O ATOM 581 CB ARG A 38 -1.208 -8.847 12.842 1.00 0.00 C ATOM 582 CG ARG A 38 -1.994 -9.346 14.036 1.00 0.00 C ATOM 583 CD ARG A 38 -1.097 -10.142 14.974 1.00 0.00 C ATOM 584 NE ARG A 38 0.153 -9.435 15.264 1.00 0.00 N ATOM 585 CZ ARG A 38 0.245 -8.329 16.010 1.00 0.00 C ATOM 586 NH1 ARG A 38 -0.802 -7.900 16.703 1.00 0.00 N ATOM 587 NH2 ARG A 38 1.402 -7.686 16.101 1.00 0.00 N ATOM 0 H ARG A 38 -3.580 -9.127 12.133 1.00 0.00 H new ATOM 0 HA ARG A 38 -2.193 -6.919 12.544 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -0.939 -9.699 12.218 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -0.277 -8.404 13.195 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -2.429 -8.501 14.570 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -2.821 -9.970 13.698 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -1.628 -10.338 15.906 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -0.871 -11.110 14.526 1.00 0.00 H new ATOM 0 HE ARG A 38 1.014 -9.813 14.869 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -1.682 -8.414 16.668 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -0.727 -7.056 17.271 1.00 0.00 H new ATOM 0 HH21 ARG A 38 2.220 -8.035 15.602 1.00 0.00 H new ATOM 0 HH22 ARG A 38 1.473 -6.842 16.670 1.00 0.00 H new ATOM 601 N PRO A 39 -0.642 -6.142 10.776 1.00 0.00 N ATOM 602 CA PRO A 39 0.332 -5.635 9.811 1.00 0.00 C ATOM 603 C PRO A 39 1.775 -5.906 10.248 1.00 0.00 C ATOM 604 O PRO A 39 2.064 -5.985 11.446 1.00 0.00 O ATOM 605 CB PRO A 39 0.045 -4.138 9.795 1.00 0.00 C ATOM 606 CG PRO A 39 -0.481 -3.822 11.157 1.00 0.00 C ATOM 607 CD PRO A 39 -1.068 -5.095 11.719 1.00 0.00 C ATOM 0 HA PRO A 39 0.241 -6.113 8.836 1.00 0.00 H new ATOM 0 HB2 PRO A 39 0.948 -3.567 9.580 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -0.683 -3.885 9.024 1.00 0.00 H new ATOM 0 HG2 PRO A 39 0.317 -3.450 11.800 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -1.239 -3.040 11.104 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -0.699 -5.292 12.725 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -2.155 -5.037 11.784 1.00 0.00 H new ATOM 615 N LYS A 40 2.676 -6.060 9.282 1.00 0.00 N ATOM 616 CA LYS A 40 4.083 -6.324 9.578 1.00 0.00 C ATOM 617 C LYS A 40 5.014 -5.511 8.679 1.00 0.00 C ATOM 618 O LYS A 40 5.747 -4.647 9.157 1.00 0.00 O ATOM 619 CB LYS A 40 4.406 -7.812 9.415 1.00 0.00 C ATOM 620 CG LYS A 40 3.882 -8.693 10.537 1.00 0.00 C ATOM 621 CD LYS A 40 4.312 -10.140 10.347 1.00 0.00 C ATOM 622 CE LYS A 40 5.828 -10.280 10.329 1.00 0.00 C ATOM 623 NZ LYS A 40 6.255 -11.684 10.085 1.00 0.00 N ATOM 0 H LYS A 40 2.458 -6.007 8.287 1.00 0.00 H new ATOM 0 HA LYS A 40 4.247 -6.025 10.613 1.00 0.00 H new ATOM 0 HB2 LYS A 40 3.989 -8.161 8.470 1.00 0.00 H new ATOM 0 HB3 LYS A 40 5.487 -7.932 9.350 1.00 0.00 H new ATOM 0 HG2 LYS A 40 4.250 -8.324 11.494 1.00 0.00 H new ATOM 0 HG3 LYS A 40 2.794 -8.636 10.570 1.00 0.00 H new ATOM 0 HD2 LYS A 40 3.900 -10.750 11.150 1.00 0.00 H new ATOM 0 HD3 LYS A 40 3.900 -10.522 9.413 1.00 0.00 H new ATOM 0 HE2 LYS A 40 6.242 -9.635 9.554 1.00 0.00 H new ATOM 0 HE3 LYS A 40 6.235 -9.937 11.280 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 7.294 -11.735 10.081 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 5.881 -12.296 10.838 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 5.889 -12.003 9.166 1.00 0.00 H new ATOM 637 N ARG A 41 5.042 -5.846 7.392 1.00 0.00 N ATOM 638 CA ARG A 41 5.958 -5.197 6.455 1.00 0.00 C ATOM 639 C ARG A 41 5.432 -3.828 6.035 1.00 0.00 C ATOM 640 O ARG A 41 4.281 -3.702 5.631 1.00 0.00 O ATOM 641 CB ARG A 41 6.168 -6.073 5.215 1.00 0.00 C ATOM 642 CG ARG A 41 7.236 -5.543 4.268 1.00 0.00 C ATOM 643 CD ARG A 41 8.636 -5.852 4.771 1.00 0.00 C ATOM 644 NE ARG A 41 9.024 -7.236 4.496 1.00 0.00 N ATOM 645 CZ ARG A 41 10.169 -7.790 4.907 1.00 0.00 C ATOM 646 NH1 ARG A 41 10.950 -7.147 5.762 1.00 0.00 N ATOM 647 NH2 ARG A 41 10.511 -9.005 4.498 1.00 0.00 N ATOM 0 H ARG A 41 4.445 -6.559 6.974 1.00 0.00 H new ATOM 0 HA ARG A 41 6.913 -5.062 6.963 1.00 0.00 H new ATOM 0 HB2 ARG A 41 6.443 -7.079 5.533 1.00 0.00 H new ATOM 0 HB3 ARG A 41 5.225 -6.156 4.675 1.00 0.00 H new ATOM 0 HG2 ARG A 41 7.098 -5.984 3.281 1.00 0.00 H new ATOM 0 HG3 ARG A 41 7.120 -4.465 4.155 1.00 0.00 H new ATOM 0 HD2 ARG A 41 9.348 -5.175 4.299 1.00 0.00 H new ATOM 0 HD3 ARG A 41 8.684 -5.668 5.844 1.00 0.00 H new ATOM 0 HE ARG A 41 8.380 -7.815 3.957 1.00 0.00 H new ATOM 0 HH11 ARG A 41 10.678 -6.227 6.108 1.00 0.00 H new ATOM 0 HH12 ARG A 41 11.823 -7.572 6.074 1.00 0.00 H new ATOM 0 HH21 ARG A 41 9.899 -9.522 3.866 1.00 0.00 H new ATOM 0 HH22 ARG A 41 11.386 -9.422 4.815 1.00 0.00 H new ATOM 661 N LYS A 42 6.287 -2.817 6.092 1.00 0.00 N ATOM 662 CA LYS A 42 5.901 -1.473 5.684 1.00 0.00 C ATOM 663 C LYS A 42 5.686 -1.411 4.178 1.00 0.00 C ATOM 664 O LYS A 42 6.471 -1.953 3.398 1.00 0.00 O ATOM 665 CB LYS A 42 6.952 -0.448 6.113 1.00 0.00 C ATOM 666 CG LYS A 42 6.550 0.985 5.796 1.00 0.00 C ATOM 667 CD LYS A 42 7.583 1.989 6.275 1.00 0.00 C ATOM 668 CE LYS A 42 7.653 2.041 7.792 1.00 0.00 C ATOM 669 NZ LYS A 42 8.428 3.215 8.264 1.00 0.00 N ATOM 0 H LYS A 42 7.251 -2.901 6.416 1.00 0.00 H new ATOM 0 HA LYS A 42 4.962 -1.228 6.180 1.00 0.00 H new ATOM 0 HB2 LYS A 42 7.127 -0.542 7.185 1.00 0.00 H new ATOM 0 HB3 LYS A 42 7.895 -0.673 5.616 1.00 0.00 H new ATOM 0 HG2 LYS A 42 6.413 1.093 4.720 1.00 0.00 H new ATOM 0 HG3 LYS A 42 5.590 1.203 6.263 1.00 0.00 H new ATOM 0 HD2 LYS A 42 8.561 1.724 5.874 1.00 0.00 H new ATOM 0 HD3 LYS A 42 7.337 2.978 5.888 1.00 0.00 H new ATOM 0 HE2 LYS A 42 6.644 2.082 8.202 1.00 0.00 H new ATOM 0 HE3 LYS A 42 8.113 1.127 8.167 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 8.455 3.218 9.304 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 9.398 3.163 7.893 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 7.975 4.088 7.927 1.00 0.00 H new ATOM 683 N VAL A 43 4.581 -0.796 3.792 1.00 0.00 N ATOM 684 CA VAL A 43 4.198 -0.682 2.398 1.00 0.00 C ATOM 685 C VAL A 43 5.009 0.393 1.670 1.00 0.00 C ATOM 686 O VAL A 43 4.954 1.569 2.023 1.00 0.00 O ATOM 687 CB VAL A 43 2.689 -0.363 2.288 1.00 0.00 C ATOM 688 CG1 VAL A 43 2.363 0.328 0.982 1.00 0.00 C ATOM 689 CG2 VAL A 43 1.862 -1.630 2.437 1.00 0.00 C ATOM 0 H VAL A 43 3.924 -0.361 4.439 1.00 0.00 H new ATOM 0 HA VAL A 43 4.408 -1.639 1.920 1.00 0.00 H new ATOM 0 HB VAL A 43 2.436 0.319 3.100 1.00 0.00 H new ATOM 0 HG11 VAL A 43 1.294 0.537 0.938 1.00 0.00 H new ATOM 0 HG12 VAL A 43 2.919 1.263 0.916 1.00 0.00 H new ATOM 0 HG13 VAL A 43 2.641 -0.318 0.149 1.00 0.00 H new ATOM 0 HG21 VAL A 43 0.803 -1.385 2.357 1.00 0.00 H new ATOM 0 HG22 VAL A 43 2.132 -2.335 1.651 1.00 0.00 H new ATOM 0 HG23 VAL A 43 2.057 -2.080 3.410 1.00 0.00 H new ATOM 699 N ARG A 44 5.627 0.007 0.565 1.00 0.00 N ATOM 700 CA ARG A 44 6.281 0.963 -0.315 1.00 0.00 C ATOM 701 C ARG A 44 5.738 0.816 -1.730 1.00 0.00 C ATOM 702 O ARG A 44 5.677 -0.290 -2.270 1.00 0.00 O ATOM 703 CB ARG A 44 7.800 0.771 -0.310 1.00 0.00 C ATOM 704 CG ARG A 44 8.487 1.354 0.914 1.00 0.00 C ATOM 705 CD ARG A 44 9.995 1.203 0.820 1.00 0.00 C ATOM 706 NE ARG A 44 10.701 1.968 1.845 1.00 0.00 N ATOM 707 CZ ARG A 44 12.028 2.051 1.929 1.00 0.00 C ATOM 708 NH1 ARG A 44 12.792 1.420 1.044 1.00 0.00 N ATOM 709 NH2 ARG A 44 12.595 2.774 2.889 1.00 0.00 N ATOM 0 H ARG A 44 5.690 -0.963 0.256 1.00 0.00 H new ATOM 0 HA ARG A 44 6.069 1.967 0.052 1.00 0.00 H new ATOM 0 HB2 ARG A 44 8.023 -0.295 -0.367 1.00 0.00 H new ATOM 0 HB3 ARG A 44 8.218 1.233 -1.204 1.00 0.00 H new ATOM 0 HG2 ARG A 44 8.230 2.409 1.011 1.00 0.00 H new ATOM 0 HG3 ARG A 44 8.124 0.853 1.811 1.00 0.00 H new ATOM 0 HD2 ARG A 44 10.257 0.149 0.913 1.00 0.00 H new ATOM 0 HD3 ARG A 44 10.328 1.529 -0.165 1.00 0.00 H new ATOM 0 HE ARG A 44 10.145 2.469 2.538 1.00 0.00 H new ATOM 0 HH11 ARG A 44 12.363 0.871 0.299 1.00 0.00 H new ATOM 0 HH12 ARG A 44 13.808 1.484 1.109 1.00 0.00 H new ATOM 0 HH21 ARG A 44 12.014 3.269 3.566 1.00 0.00 H new ATOM 0 HH22 ARG A 44 13.611 2.834 2.949 1.00 0.00 H new ATOM 723 N VAL A 45 5.307 1.920 -2.309 1.00 0.00 N ATOM 724 CA VAL A 45 4.748 1.904 -3.652 1.00 0.00 C ATOM 725 C VAL A 45 5.839 2.009 -4.704 1.00 0.00 C ATOM 726 O VAL A 45 6.943 2.483 -4.431 1.00 0.00 O ATOM 727 CB VAL A 45 3.721 3.037 -3.870 1.00 0.00 C ATOM 728 CG1 VAL A 45 2.424 2.726 -3.144 1.00 0.00 C ATOM 729 CG2 VAL A 45 4.282 4.376 -3.414 1.00 0.00 C ATOM 0 H VAL A 45 5.332 2.841 -1.872 1.00 0.00 H new ATOM 0 HA VAL A 45 4.234 0.948 -3.757 1.00 0.00 H new ATOM 0 HB VAL A 45 3.512 3.105 -4.938 1.00 0.00 H new ATOM 0 HG11 VAL A 45 1.712 3.535 -3.308 1.00 0.00 H new ATOM 0 HG12 VAL A 45 2.008 1.793 -3.525 1.00 0.00 H new ATOM 0 HG13 VAL A 45 2.620 2.626 -2.076 1.00 0.00 H new ATOM 0 HG21 VAL A 45 3.539 5.157 -3.578 1.00 0.00 H new ATOM 0 HG22 VAL A 45 4.527 4.326 -2.353 1.00 0.00 H new ATOM 0 HG23 VAL A 45 5.182 4.606 -3.984 1.00 0.00 H new ATOM 739 N CYS A 46 5.520 1.569 -5.913 1.00 0.00 N ATOM 740 CA CYS A 46 6.447 1.675 -7.022 1.00 0.00 C ATOM 741 C CYS A 46 6.675 3.144 -7.341 1.00 0.00 C ATOM 742 O CYS A 46 5.797 3.969 -7.094 1.00 0.00 O ATOM 743 CB CYS A 46 5.921 0.932 -8.256 1.00 0.00 C ATOM 744 SG CYS A 46 4.779 1.879 -9.287 1.00 0.00 S ATOM 0 H CYS A 46 4.626 1.136 -6.147 1.00 0.00 H new ATOM 0 HA CYS A 46 7.392 1.211 -6.739 1.00 0.00 H new ATOM 0 HB2 CYS A 46 6.770 0.626 -8.867 1.00 0.00 H new ATOM 0 HB3 CYS A 46 5.420 0.021 -7.927 1.00 0.00 H new ATOM 749 N GLU A 47 7.866 3.472 -7.818 1.00 0.00 N ATOM 750 CA GLU A 47 8.232 4.858 -8.096 1.00 0.00 C ATOM 751 C GLU A 47 7.220 5.535 -9.021 1.00 0.00 C ATOM 752 O GLU A 47 6.972 6.736 -8.911 1.00 0.00 O ATOM 753 CB GLU A 47 9.621 4.920 -8.715 1.00 0.00 C ATOM 754 CG GLU A 47 9.736 4.151 -10.018 1.00 0.00 C ATOM 755 CD GLU A 47 11.145 4.130 -10.568 1.00 0.00 C ATOM 756 OE1 GLU A 47 12.050 4.702 -9.927 1.00 0.00 O ATOM 757 OE2 GLU A 47 11.358 3.533 -11.643 1.00 0.00 O ATOM 0 H GLU A 47 8.601 2.795 -8.023 1.00 0.00 H new ATOM 0 HA GLU A 47 8.232 5.396 -7.148 1.00 0.00 H new ATOM 0 HB2 GLU A 47 9.885 5.962 -8.893 1.00 0.00 H new ATOM 0 HB3 GLU A 47 10.346 4.524 -8.003 1.00 0.00 H new ATOM 0 HG2 GLU A 47 9.398 3.127 -9.860 1.00 0.00 H new ATOM 0 HG3 GLU A 47 9.070 4.597 -10.757 1.00 0.00 H new ATOM 764 N ASN A 48 6.608 4.749 -9.900 1.00 0.00 N ATOM 765 CA ASN A 48 5.580 5.251 -10.803 1.00 0.00 C ATOM 766 C ASN A 48 4.410 5.827 -10.012 1.00 0.00 C ATOM 767 O ASN A 48 3.876 6.880 -10.357 1.00 0.00 O ATOM 768 CB ASN A 48 5.092 4.128 -11.724 1.00 0.00 C ATOM 769 CG ASN A 48 6.091 3.765 -12.803 1.00 0.00 C ATOM 770 OD1 ASN A 48 6.303 4.518 -13.752 1.00 0.00 O ATOM 771 ND2 ASN A 48 6.712 2.606 -12.662 1.00 0.00 N ATOM 0 H ASN A 48 6.808 3.755 -10.006 1.00 0.00 H new ATOM 0 HA ASN A 48 6.012 6.045 -11.412 1.00 0.00 H new ATOM 0 HB2 ASN A 48 4.877 3.243 -11.125 1.00 0.00 H new ATOM 0 HB3 ASN A 48 4.156 4.432 -12.192 1.00 0.00 H new ATOM 0 HD21 ASN A 48 7.397 2.307 -13.356 1.00 0.00 H new ATOM 0 HD22 ASN A 48 6.506 2.011 -11.859 1.00 0.00 H new ATOM 778 N CYS A 49 4.129 5.220 -8.864 1.00 0.00 N ATOM 779 CA CYS A 49 3.103 5.729 -7.961 1.00 0.00 C ATOM 780 C CYS A 49 3.723 6.600 -6.878 1.00 0.00 C ATOM 781 O CYS A 49 3.269 6.607 -5.735 1.00 0.00 O ATOM 782 CB CYS A 49 2.326 4.583 -7.314 1.00 0.00 C ATOM 783 SG CYS A 49 1.477 3.501 -8.483 1.00 0.00 S ATOM 0 H CYS A 49 4.597 4.375 -8.537 1.00 0.00 H new ATOM 0 HA CYS A 49 2.413 6.332 -8.552 1.00 0.00 H new ATOM 0 HB2 CYS A 49 3.015 3.984 -6.719 1.00 0.00 H new ATOM 0 HB3 CYS A 49 1.591 5.002 -6.626 1.00 0.00 H new ATOM 788 N SER A 50 4.754 7.332 -7.249 1.00 0.00 N ATOM 789 CA SER A 50 5.417 8.238 -6.327 1.00 0.00 C ATOM 790 C SER A 50 5.800 9.533 -7.040 1.00 0.00 C ATOM 791 O SER A 50 5.558 10.625 -6.527 1.00 0.00 O ATOM 792 CB SER A 50 6.652 7.576 -5.713 1.00 0.00 C ATOM 793 OG SER A 50 6.339 6.302 -5.176 1.00 0.00 O ATOM 0 H SER A 50 5.154 7.318 -8.187 1.00 0.00 H new ATOM 0 HA SER A 50 4.724 8.478 -5.521 1.00 0.00 H new ATOM 0 HB2 SER A 50 7.427 7.473 -6.472 1.00 0.00 H new ATOM 0 HB3 SER A 50 7.057 8.214 -4.928 1.00 0.00 H new ATOM 0 HG SER A 50 6.192 5.666 -5.907 1.00 0.00 H new ATOM 799 N PHE A 51 6.367 9.425 -8.241 1.00 0.00 N ATOM 800 CA PHE A 51 6.722 10.622 -8.997 1.00 0.00 C ATOM 801 C PHE A 51 5.554 11.118 -9.855 1.00 0.00 C ATOM 802 O PHE A 51 5.558 12.262 -10.315 1.00 0.00 O ATOM 803 CB PHE A 51 7.990 10.413 -9.847 1.00 0.00 C ATOM 804 CG PHE A 51 7.980 9.227 -10.781 1.00 0.00 C ATOM 805 CD1 PHE A 51 6.942 9.017 -11.678 1.00 0.00 C ATOM 806 CD2 PHE A 51 9.038 8.331 -10.777 1.00 0.00 C ATOM 807 CE1 PHE A 51 6.957 7.941 -12.542 1.00 0.00 C ATOM 808 CE2 PHE A 51 9.060 7.255 -11.642 1.00 0.00 C ATOM 809 CZ PHE A 51 8.018 7.059 -12.524 1.00 0.00 C ATOM 0 H PHE A 51 6.586 8.542 -8.702 1.00 0.00 H new ATOM 0 HA PHE A 51 6.947 11.399 -8.267 1.00 0.00 H new ATOM 0 HB2 PHE A 51 8.158 11.313 -10.438 1.00 0.00 H new ATOM 0 HB3 PHE A 51 8.841 10.311 -9.173 1.00 0.00 H new ATOM 0 HD1 PHE A 51 6.110 9.706 -11.700 1.00 0.00 H new ATOM 0 HD2 PHE A 51 9.856 8.477 -10.088 1.00 0.00 H new ATOM 0 HE1 PHE A 51 6.139 7.789 -13.231 1.00 0.00 H new ATOM 0 HE2 PHE A 51 9.893 6.567 -11.628 1.00 0.00 H new ATOM 0 HZ PHE A 51 8.032 6.216 -13.200 1.00 0.00 H new ATOM 819 N GLY A 52 4.577 10.246 -10.098 1.00 0.00 N ATOM 820 CA GLY A 52 3.438 10.613 -10.928 1.00 0.00 C ATOM 821 C GLY A 52 2.389 11.409 -10.173 1.00 0.00 C ATOM 822 O GLY A 52 2.702 12.100 -9.201 1.00 0.00 O ATOM 0 H GLY A 52 4.553 9.293 -9.736 1.00 0.00 H new ATOM 0 HA2 GLY A 52 3.788 11.198 -11.779 1.00 0.00 H new ATOM 0 HA3 GLY A 52 2.981 9.709 -11.330 1.00 0.00 H new ATOM 826 N LYS A 53 1.130 11.269 -10.584 1.00 0.00 N ATOM 827 CA LYS A 53 0.020 11.964 -9.931 1.00 0.00 C ATOM 828 C LYS A 53 -0.446 11.213 -8.681 1.00 0.00 C ATOM 829 O LYS A 53 -1.640 11.168 -8.369 1.00 0.00 O ATOM 830 CB LYS A 53 -1.151 12.145 -10.905 1.00 0.00 C ATOM 831 CG LYS A 53 -1.700 10.839 -11.457 1.00 0.00 C ATOM 832 CD LYS A 53 -2.933 11.061 -12.319 1.00 0.00 C ATOM 833 CE LYS A 53 -2.621 11.910 -13.540 1.00 0.00 C ATOM 834 NZ LYS A 53 -3.787 12.015 -14.454 1.00 0.00 N ATOM 0 H LYS A 53 0.852 10.679 -11.368 1.00 0.00 H new ATOM 0 HA LYS A 53 0.379 12.947 -9.624 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -1.954 12.680 -10.397 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -0.826 12.771 -11.736 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -0.930 10.342 -12.047 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -1.949 10.172 -10.631 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -3.332 10.098 -12.638 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -3.708 11.547 -11.727 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -2.319 12.907 -13.221 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -1.777 11.478 -14.077 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -3.533 12.602 -15.274 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -4.060 11.066 -14.779 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -4.585 12.451 -13.950 1.00 0.00 H new ATOM 848 N GLN A 54 0.508 10.655 -7.955 1.00 0.00 N ATOM 849 CA GLN A 54 0.225 9.931 -6.731 1.00 0.00 C ATOM 850 C GLN A 54 1.512 9.712 -5.956 1.00 0.00 C ATOM 851 O GLN A 54 2.572 9.513 -6.547 1.00 0.00 O ATOM 852 CB GLN A 54 -0.446 8.582 -7.022 1.00 0.00 C ATOM 853 CG GLN A 54 0.387 7.643 -7.885 1.00 0.00 C ATOM 854 CD GLN A 54 -0.097 7.552 -9.321 1.00 0.00 C ATOM 855 OE1 GLN A 54 -1.254 8.128 -9.599 1.00 0.00 O flip ATOM 856 NE2 GLN A 54 0.555 6.945 -10.169 1.00 0.00 N flip ATOM 0 H GLN A 54 1.498 10.692 -8.198 1.00 0.00 H new ATOM 0 HA GLN A 54 -0.465 10.528 -6.135 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -0.667 8.088 -6.076 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -1.400 8.763 -7.518 1.00 0.00 H new ATOM 0 HG2 GLN A 54 1.423 7.981 -7.880 1.00 0.00 H new ATOM 0 HG3 GLN A 54 0.374 6.647 -7.442 1.00 0.00 H new ATOM 0 HE21 GLN A 54 1.444 6.513 -9.916 1.00 0.00 H new ATOM 0 HE22 GLN A 54 0.207 6.873 -11.125 1.00 0.00 H new ATOM 865 N ALA A 55 1.413 9.814 -4.640 1.00 0.00 N ATOM 866 CA ALA A 55 2.549 9.647 -3.746 1.00 0.00 C ATOM 867 C ALA A 55 2.067 9.680 -2.308 1.00 0.00 C ATOM 868 O ALA A 55 2.361 8.792 -1.514 1.00 0.00 O ATOM 869 CB ALA A 55 3.582 10.741 -3.973 1.00 0.00 C ATOM 0 H ALA A 55 0.537 10.016 -4.159 1.00 0.00 H new ATOM 0 HA ALA A 55 3.020 8.686 -3.953 1.00 0.00 H new ATOM 0 HB1 ALA A 55 4.422 10.595 -3.293 1.00 0.00 H new ATOM 0 HB2 ALA A 55 3.937 10.698 -5.003 1.00 0.00 H new ATOM 0 HB3 ALA A 55 3.128 11.714 -3.786 1.00 0.00 H new ATOM 875 N LYS A 56 1.282 10.700 -2.000 1.00 0.00 N ATOM 876 CA LYS A 56 0.694 10.848 -0.681 1.00 0.00 C ATOM 877 C LYS A 56 -0.724 10.302 -0.675 1.00 0.00 C ATOM 878 O LYS A 56 -1.249 9.935 0.372 1.00 0.00 O ATOM 879 CB LYS A 56 0.696 12.316 -0.251 1.00 0.00 C ATOM 880 CG LYS A 56 2.082 12.943 -0.150 1.00 0.00 C ATOM 881 CD LYS A 56 2.899 12.361 0.998 1.00 0.00 C ATOM 882 CE LYS A 56 3.623 11.081 0.604 1.00 0.00 C ATOM 883 NZ LYS A 56 4.704 11.331 -0.386 1.00 0.00 N ATOM 0 H LYS A 56 1.036 11.444 -2.654 1.00 0.00 H new ATOM 0 HA LYS A 56 1.294 10.280 0.030 1.00 0.00 H new ATOM 0 HB2 LYS A 56 0.102 12.891 -0.962 1.00 0.00 H new ATOM 0 HB3 LYS A 56 0.202 12.399 0.717 1.00 0.00 H new ATOM 0 HG2 LYS A 56 2.617 12.790 -1.087 1.00 0.00 H new ATOM 0 HG3 LYS A 56 1.982 14.020 -0.012 1.00 0.00 H new ATOM 0 HD2 LYS A 56 3.628 13.099 1.333 1.00 0.00 H new ATOM 0 HD3 LYS A 56 2.241 12.158 1.843 1.00 0.00 H new ATOM 0 HE2 LYS A 56 4.048 10.617 1.494 1.00 0.00 H new ATOM 0 HE3 LYS A 56 2.906 10.374 0.187 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 5.225 10.448 -0.562 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 4.288 11.671 -1.276 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 5.357 12.050 -0.013 1.00 0.00 H new ATOM 897 N ASN A 57 -1.365 10.316 -1.841 1.00 0.00 N ATOM 898 CA ASN A 57 -2.745 9.851 -1.955 1.00 0.00 C ATOM 899 C ASN A 57 -2.852 8.386 -1.561 1.00 0.00 C ATOM 900 O ASN A 57 -1.962 7.582 -1.861 1.00 0.00 O ATOM 901 CB ASN A 57 -3.299 10.036 -3.373 1.00 0.00 C ATOM 902 CG ASN A 57 -3.179 11.457 -3.872 1.00 0.00 C ATOM 903 OD1 ASN A 57 -3.575 12.404 -3.192 1.00 0.00 O ATOM 904 ND2 ASN A 57 -2.654 11.611 -5.077 1.00 0.00 N ATOM 0 H ASN A 57 -0.954 10.642 -2.716 1.00 0.00 H new ATOM 0 HA ASN A 57 -3.340 10.459 -1.274 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -2.768 9.371 -4.054 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -4.347 9.738 -3.389 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -2.564 12.544 -5.479 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -2.339 10.796 -5.604 1.00 0.00 H new ATOM 911 N CYS A 58 -3.951 8.064 -0.896 1.00 0.00 N ATOM 912 CA CYS A 58 -4.233 6.723 -0.412 1.00 0.00 C ATOM 913 C CYS A 58 -4.077 5.681 -1.507 1.00 0.00 C ATOM 914 O CYS A 58 -4.502 5.879 -2.639 1.00 0.00 O ATOM 915 CB CYS A 58 -5.650 6.696 0.142 1.00 0.00 C ATOM 916 SG CYS A 58 -6.252 5.090 0.697 1.00 0.00 S ATOM 0 H CYS A 58 -4.683 8.739 -0.674 1.00 0.00 H new ATOM 0 HA CYS A 58 -3.514 6.475 0.369 1.00 0.00 H new ATOM 0 HB2 CYS A 58 -5.705 7.391 0.980 1.00 0.00 H new ATOM 0 HB3 CYS A 58 -6.326 7.069 -0.627 1.00 0.00 H new ATOM 921 N ILE A 59 -3.392 4.610 -1.170 1.00 0.00 N ATOM 922 CA ILE A 59 -3.078 3.562 -2.127 1.00 0.00 C ATOM 923 C ILE A 59 -4.264 2.634 -2.389 1.00 0.00 C ATOM 924 O ILE A 59 -4.326 1.988 -3.433 1.00 0.00 O ATOM 925 CB ILE A 59 -1.857 2.751 -1.660 1.00 0.00 C ATOM 926 CG1 ILE A 59 -2.062 2.239 -0.228 1.00 0.00 C ATOM 927 CG2 ILE A 59 -0.613 3.618 -1.754 1.00 0.00 C ATOM 928 CD1 ILE A 59 -0.836 1.592 0.377 1.00 0.00 C ATOM 0 H ILE A 59 -3.036 4.438 -0.230 1.00 0.00 H new ATOM 0 HA ILE A 59 -2.842 4.055 -3.070 1.00 0.00 H new ATOM 0 HB ILE A 59 -1.734 1.882 -2.306 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -2.369 3.072 0.404 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -2.879 1.518 -0.225 1.00 0.00 H new ATOM 0 HG21 ILE A 59 0.255 3.047 -1.424 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -0.467 3.935 -2.787 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -0.732 4.496 -1.119 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -1.063 1.257 1.389 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -0.539 0.737 -0.230 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -0.021 2.315 0.409 1.00 0.00 H new ATOM 940 N ILE A 60 -5.164 2.512 -1.417 1.00 0.00 N ATOM 941 CA ILE A 60 -6.293 1.592 -1.548 1.00 0.00 C ATOM 942 C ILE A 60 -7.401 2.159 -2.435 1.00 0.00 C ATOM 943 O ILE A 60 -7.900 1.471 -3.323 1.00 0.00 O ATOM 944 CB ILE A 60 -6.883 1.199 -0.177 1.00 0.00 C ATOM 945 CG1 ILE A 60 -5.839 0.443 0.647 1.00 0.00 C ATOM 946 CG2 ILE A 60 -8.136 0.350 -0.354 1.00 0.00 C ATOM 947 CD1 ILE A 60 -6.354 -0.054 1.982 1.00 0.00 C ATOM 0 H ILE A 60 -5.136 3.031 -0.539 1.00 0.00 H new ATOM 0 HA ILE A 60 -5.891 0.698 -2.025 1.00 0.00 H new ATOM 0 HB ILE A 60 -7.160 2.109 0.355 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -5.479 -0.408 0.068 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -4.983 1.096 0.819 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -8.536 0.084 0.624 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -8.883 0.916 -0.910 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -7.886 -0.558 -0.903 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -5.556 -0.579 2.507 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -6.687 0.793 2.582 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -7.190 -0.734 1.819 1.00 0.00 H new ATOM 959 N CYS A 61 -7.807 3.402 -2.202 1.00 0.00 N ATOM 960 CA CYS A 61 -8.866 3.976 -3.008 1.00 0.00 C ATOM 961 C CYS A 61 -8.299 4.939 -4.040 1.00 0.00 C ATOM 962 O CYS A 61 -9.031 5.399 -4.920 1.00 0.00 O ATOM 963 CB CYS A 61 -9.931 4.661 -2.142 1.00 0.00 C ATOM 964 SG CYS A 61 -9.334 6.033 -1.132 1.00 0.00 S ATOM 0 H CYS A 61 -7.428 4.015 -1.480 1.00 0.00 H new ATOM 0 HA CYS A 61 -9.356 3.158 -3.537 1.00 0.00 H new ATOM 0 HB2 CYS A 61 -10.724 5.028 -2.793 1.00 0.00 H new ATOM 0 HB3 CYS A 61 -10.377 3.915 -1.485 1.00 0.00 H new ATOM 969 N ASN A 62 -6.982 5.204 -3.948 1.00 0.00 N ATOM 970 CA ASN A 62 -6.251 6.082 -4.892 1.00 0.00 C ATOM 971 C ASN A 62 -6.649 7.541 -4.722 1.00 0.00 C ATOM 972 O ASN A 62 -5.901 8.450 -5.074 1.00 0.00 O ATOM 973 CB ASN A 62 -6.510 5.678 -6.350 1.00 0.00 C ATOM 974 CG ASN A 62 -6.445 4.186 -6.573 1.00 0.00 C ATOM 975 OD1 ASN A 62 -5.372 3.585 -6.548 1.00 0.00 O ATOM 976 ND2 ASN A 62 -7.608 3.580 -6.756 1.00 0.00 N ATOM 0 H ASN A 62 -6.389 4.815 -3.215 1.00 0.00 H new ATOM 0 HA ASN A 62 -5.192 5.964 -4.661 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -7.492 6.042 -6.652 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -5.777 6.167 -6.992 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -7.641 2.569 -6.884 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -8.470 4.125 -6.768 1.00 0.00 H new ATOM 983 N LEU A 63 -7.913 7.723 -4.433 1.00 0.00 N ATOM 984 CA LEU A 63 -8.562 9.003 -4.508 1.00 0.00 C ATOM 985 C LEU A 63 -8.252 9.887 -3.306 1.00 0.00 C ATOM 986 O LEU A 63 -7.684 10.968 -3.448 1.00 0.00 O ATOM 987 CB LEU A 63 -10.057 8.731 -4.611 1.00 0.00 C ATOM 988 CG LEU A 63 -10.756 9.389 -5.795 1.00 0.00 C ATOM 989 CD1 LEU A 63 -10.448 10.874 -5.843 1.00 0.00 C ATOM 990 CD2 LEU A 63 -10.328 8.705 -7.082 1.00 0.00 C ATOM 0 H LEU A 63 -8.530 6.968 -4.133 1.00 0.00 H new ATOM 0 HA LEU A 63 -8.196 9.552 -5.376 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -10.211 7.654 -4.672 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -10.536 9.070 -3.692 1.00 0.00 H new ATOM 0 HG LEU A 63 -11.834 9.278 -5.678 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -10.957 11.324 -6.696 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -10.793 11.347 -4.924 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -9.373 11.019 -5.944 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -10.828 9.176 -7.928 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -9.248 8.797 -7.201 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -10.600 7.650 -7.041 1.00 0.00 H new ATOM 1002 N ASN A 64 -8.670 9.437 -2.133 1.00 0.00 N ATOM 1003 CA ASN A 64 -8.497 10.205 -0.905 1.00 0.00 C ATOM 1004 C ASN A 64 -7.025 10.296 -0.529 1.00 0.00 C ATOM 1005 O ASN A 64 -6.252 9.396 -0.838 1.00 0.00 O ATOM 1006 CB ASN A 64 -9.294 9.565 0.234 1.00 0.00 C ATOM 1007 CG ASN A 64 -10.787 9.560 -0.031 1.00 0.00 C ATOM 1008 OD1 ASN A 64 -11.416 10.611 -0.136 1.00 0.00 O ATOM 1009 ND2 ASN A 64 -11.368 8.376 -0.145 1.00 0.00 N ATOM 0 H ASN A 64 -9.135 8.538 -2.003 1.00 0.00 H new ATOM 0 HA ASN A 64 -8.871 11.215 -1.075 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -8.951 8.541 0.382 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -9.095 10.104 1.160 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -12.370 8.315 -0.326 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -10.814 7.525 -0.052 1.00 0.00 H new ATOM 1016 N VAL A 65 -6.633 11.392 0.102 1.00 0.00 N ATOM 1017 CA VAL A 65 -5.244 11.579 0.509 1.00 0.00 C ATOM 1018 C VAL A 65 -4.910 10.696 1.716 1.00 0.00 C ATOM 1019 O VAL A 65 -5.737 10.516 2.613 1.00 0.00 O ATOM 1020 CB VAL A 65 -4.931 13.056 0.819 1.00 0.00 C ATOM 1021 CG1 VAL A 65 -5.706 13.511 2.032 1.00 0.00 C ATOM 1022 CG2 VAL A 65 -3.433 13.270 1.007 1.00 0.00 C ATOM 0 H VAL A 65 -7.253 12.165 0.344 1.00 0.00 H new ATOM 0 HA VAL A 65 -4.617 11.279 -0.330 1.00 0.00 H new ATOM 0 HB VAL A 65 -5.243 13.662 -0.032 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -5.476 14.556 2.240 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -6.774 13.406 1.842 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -5.428 12.900 2.891 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -3.240 14.320 1.225 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -3.079 12.657 1.836 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -2.908 12.986 0.095 1.00 0.00 H new ATOM 1032 N GLY A 66 -3.742 10.069 1.680 1.00 0.00 N ATOM 1033 CA GLY A 66 -3.351 9.152 2.731 1.00 0.00 C ATOM 1034 C GLY A 66 -2.845 9.858 3.969 1.00 0.00 C ATOM 1035 O GLY A 66 -2.180 10.891 3.878 1.00 0.00 O ATOM 0 H GLY A 66 -3.054 10.181 0.935 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -4.204 8.528 2.998 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -2.574 8.486 2.355 1.00 0.00 H new ATOM 1039 N VAL A 67 -3.148 9.292 5.128 1.00 0.00 N ATOM 1040 CA VAL A 67 -2.714 9.861 6.394 1.00 0.00 C ATOM 1041 C VAL A 67 -1.743 8.933 7.122 1.00 0.00 C ATOM 1042 O VAL A 67 -0.687 9.373 7.584 1.00 0.00 O ATOM 1043 CB VAL A 67 -3.912 10.198 7.314 1.00 0.00 C ATOM 1044 CG1 VAL A 67 -4.744 11.314 6.708 1.00 0.00 C ATOM 1045 CG2 VAL A 67 -4.780 8.974 7.572 1.00 0.00 C ATOM 0 H VAL A 67 -3.695 8.436 5.217 1.00 0.00 H new ATOM 0 HA VAL A 67 -2.195 10.789 6.156 1.00 0.00 H new ATOM 0 HB VAL A 67 -3.512 10.531 8.272 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -5.583 11.541 7.366 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -4.126 12.204 6.588 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -5.121 11.000 5.735 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -5.611 9.248 8.222 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -5.168 8.597 6.626 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -4.183 8.200 8.054 1.00 0.00 H new ATOM 1055 N ASN A 68 -2.084 7.650 7.220 1.00 0.00 N ATOM 1056 CA ASN A 68 -1.224 6.697 7.912 1.00 0.00 C ATOM 1057 C ASN A 68 -0.673 5.658 6.956 1.00 0.00 C ATOM 1058 O ASN A 68 -1.375 5.180 6.073 1.00 0.00 O ATOM 1059 CB ASN A 68 -1.962 6.012 9.063 1.00 0.00 C ATOM 1060 CG ASN A 68 -2.239 6.958 10.212 1.00 0.00 C ATOM 1061 OD1 ASN A 68 -1.319 7.556 10.776 1.00 0.00 O ATOM 1062 ND2 ASN A 68 -3.501 7.079 10.583 1.00 0.00 N ATOM 0 H ASN A 68 -2.940 7.251 6.834 1.00 0.00 H new ATOM 0 HA ASN A 68 -0.390 7.262 8.327 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -2.904 5.604 8.696 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -1.369 5.171 9.423 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -3.747 7.686 11.365 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -4.230 6.565 10.088 1.00 0.00 H new ATOM 1069 N ASP A 69 0.612 5.387 7.095 1.00 0.00 N ATOM 1070 CA ASP A 69 1.326 4.462 6.218 1.00 0.00 C ATOM 1071 C ASP A 69 0.774 3.052 6.357 1.00 0.00 C ATOM 1072 O ASP A 69 0.543 2.569 7.466 1.00 0.00 O ATOM 1073 CB ASP A 69 2.822 4.458 6.567 1.00 0.00 C ATOM 1074 CG ASP A 69 3.404 5.850 6.758 1.00 0.00 C ATOM 1075 OD1 ASP A 69 2.925 6.590 7.649 1.00 0.00 O ATOM 1076 OD2 ASP A 69 4.357 6.208 6.039 1.00 0.00 O ATOM 0 H ASP A 69 1.197 5.801 7.821 1.00 0.00 H new ATOM 0 HA ASP A 69 1.189 4.794 5.189 1.00 0.00 H new ATOM 0 HB2 ASP A 69 2.973 3.882 7.480 1.00 0.00 H new ATOM 0 HB3 ASP A 69 3.371 3.949 5.774 1.00 0.00 H new ATOM 1081 N ALA A 70 0.562 2.407 5.222 1.00 0.00 N ATOM 1082 CA ALA A 70 0.050 1.049 5.190 1.00 0.00 C ATOM 1083 C ALA A 70 1.135 0.037 5.523 1.00 0.00 C ATOM 1084 O ALA A 70 2.314 0.243 5.219 1.00 0.00 O ATOM 1085 CB ALA A 70 -0.530 0.735 3.824 1.00 0.00 C ATOM 0 H ALA A 70 0.739 2.808 4.301 1.00 0.00 H new ATOM 0 HA ALA A 70 -0.733 0.977 5.945 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -0.910 -0.287 3.816 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -1.344 1.426 3.607 1.00 0.00 H new ATOM 0 HB3 ALA A 70 0.247 0.839 3.066 1.00 0.00 H new ATOM 1091 N PHE A 71 0.713 -1.097 6.055 1.00 0.00 N ATOM 1092 CA PHE A 71 1.610 -2.207 6.317 1.00 0.00 C ATOM 1093 C PHE A 71 0.970 -3.502 5.838 1.00 0.00 C ATOM 1094 O PHE A 71 -0.207 -3.750 6.102 1.00 0.00 O ATOM 1095 CB PHE A 71 1.934 -2.315 7.812 1.00 0.00 C ATOM 1096 CG PHE A 71 3.017 -1.386 8.294 1.00 0.00 C ATOM 1097 CD1 PHE A 71 2.860 -0.011 8.230 1.00 0.00 C ATOM 1098 CD2 PHE A 71 4.190 -1.895 8.828 1.00 0.00 C ATOM 1099 CE1 PHE A 71 3.851 0.836 8.683 1.00 0.00 C ATOM 1100 CE2 PHE A 71 5.183 -1.052 9.286 1.00 0.00 C ATOM 1101 CZ PHE A 71 5.013 0.315 9.213 1.00 0.00 C ATOM 0 H PHE A 71 -0.257 -1.273 6.316 1.00 0.00 H new ATOM 0 HA PHE A 71 2.541 -2.031 5.778 1.00 0.00 H new ATOM 0 HB2 PHE A 71 1.026 -2.117 8.381 1.00 0.00 H new ATOM 0 HB3 PHE A 71 2.231 -3.341 8.032 1.00 0.00 H new ATOM 0 HD1 PHE A 71 1.951 0.403 7.820 1.00 0.00 H new ATOM 0 HD2 PHE A 71 4.329 -2.964 8.887 1.00 0.00 H new ATOM 0 HE1 PHE A 71 3.717 1.906 8.623 1.00 0.00 H new ATOM 0 HE2 PHE A 71 6.092 -1.462 9.701 1.00 0.00 H new ATOM 0 HZ PHE A 71 5.789 0.976 9.570 1.00 0.00 H new ATOM 1111 N TYR A 72 1.747 -4.330 5.153 1.00 0.00 N ATOM 1112 CA TYR A 72 1.265 -5.631 4.707 1.00 0.00 C ATOM 1113 C TYR A 72 1.008 -6.513 5.916 1.00 0.00 C ATOM 1114 O TYR A 72 1.852 -6.603 6.806 1.00 0.00 O ATOM 1115 CB TYR A 72 2.280 -6.331 3.798 1.00 0.00 C ATOM 1116 CG TYR A 72 2.654 -5.569 2.547 1.00 0.00 C ATOM 1117 CD1 TYR A 72 1.932 -5.730 1.370 1.00 0.00 C ATOM 1118 CD2 TYR A 72 3.757 -4.725 2.531 1.00 0.00 C ATOM 1119 CE1 TYR A 72 2.295 -5.063 0.215 1.00 0.00 C ATOM 1120 CE2 TYR A 72 4.123 -4.053 1.380 1.00 0.00 C ATOM 1121 CZ TYR A 72 3.391 -4.228 0.226 1.00 0.00 C ATOM 1122 OH TYR A 72 3.756 -3.563 -0.921 1.00 0.00 O ATOM 0 H TYR A 72 2.712 -4.125 4.894 1.00 0.00 H new ATOM 0 HA TYR A 72 0.348 -5.469 4.141 1.00 0.00 H new ATOM 0 HB2 TYR A 72 3.186 -6.523 4.372 1.00 0.00 H new ATOM 0 HB3 TYR A 72 1.876 -7.300 3.507 1.00 0.00 H new ATOM 0 HD1 TYR A 72 1.074 -6.386 1.358 1.00 0.00 H new ATOM 0 HD2 TYR A 72 4.338 -4.592 3.432 1.00 0.00 H new ATOM 0 HE1 TYR A 72 1.723 -5.196 -0.691 1.00 0.00 H new ATOM 0 HE2 TYR A 72 4.979 -3.394 1.385 1.00 0.00 H new ATOM 0 HH TYR A 72 3.825 -4.201 -1.661 1.00 0.00 H new ATOM 1132 N CYS A 73 -0.160 -7.125 5.971 1.00 0.00 N ATOM 1133 CA CYS A 73 -0.514 -7.967 7.103 1.00 0.00 C ATOM 1134 C CYS A 73 0.331 -9.239 7.121 1.00 0.00 C ATOM 1135 O CYS A 73 0.942 -9.603 6.115 1.00 0.00 O ATOM 1136 CB CYS A 73 -1.992 -8.334 7.060 1.00 0.00 C ATOM 1137 SG CYS A 73 -2.389 -9.625 5.868 1.00 0.00 S ATOM 0 H CYS A 73 -0.878 -7.057 5.250 1.00 0.00 H new ATOM 0 HA CYS A 73 -0.315 -7.400 8.013 1.00 0.00 H new ATOM 0 HB2 CYS A 73 -2.304 -8.661 8.052 1.00 0.00 H new ATOM 0 HB3 CYS A 73 -2.571 -7.442 6.821 1.00 0.00 H new ATOM 1142 N TRP A 74 0.358 -9.896 8.275 1.00 0.00 N ATOM 1143 CA TRP A 74 1.118 -11.126 8.474 1.00 0.00 C ATOM 1144 C TRP A 74 0.805 -12.148 7.384 1.00 0.00 C ATOM 1145 O TRP A 74 1.711 -12.770 6.828 1.00 0.00 O ATOM 1146 CB TRP A 74 0.795 -11.710 9.855 1.00 0.00 C ATOM 1147 CG TRP A 74 1.554 -12.964 10.177 1.00 0.00 C ATOM 1148 CD1 TRP A 74 2.878 -13.202 9.952 1.00 0.00 C ATOM 1149 CD2 TRP A 74 1.031 -14.150 10.785 1.00 0.00 C ATOM 1150 NE1 TRP A 74 3.211 -14.462 10.377 1.00 0.00 N ATOM 1151 CE2 TRP A 74 2.095 -15.067 10.894 1.00 0.00 C ATOM 1152 CE3 TRP A 74 -0.232 -14.528 11.246 1.00 0.00 C ATOM 1153 CZ2 TRP A 74 1.931 -16.334 11.447 1.00 0.00 C ATOM 1154 CZ3 TRP A 74 -0.392 -15.786 11.794 1.00 0.00 C ATOM 1155 CH2 TRP A 74 0.683 -16.676 11.890 1.00 0.00 C ATOM 0 H TRP A 74 -0.150 -9.589 9.105 1.00 0.00 H new ATOM 0 HA TRP A 74 2.181 -10.891 8.417 1.00 0.00 H new ATOM 0 HB2 TRP A 74 1.012 -10.960 10.616 1.00 0.00 H new ATOM 0 HB3 TRP A 74 -0.273 -11.919 9.909 1.00 0.00 H new ATOM 0 HD1 TRP A 74 3.565 -12.499 9.504 1.00 0.00 H new ATOM 0 HE1 TRP A 74 4.139 -14.881 10.318 1.00 0.00 H new ATOM 0 HE3 TRP A 74 -1.069 -13.849 11.175 1.00 0.00 H new ATOM 0 HZ2 TRP A 74 2.760 -17.022 11.523 1.00 0.00 H new ATOM 0 HZ3 TRP A 74 -1.364 -16.088 12.155 1.00 0.00 H new ATOM 0 HH2 TRP A 74 0.524 -17.653 12.323 1.00 0.00 H new ATOM 1166 N GLU A 75 -0.477 -12.293 7.067 1.00 0.00 N ATOM 1167 CA GLU A 75 -0.909 -13.226 6.032 1.00 0.00 C ATOM 1168 C GLU A 75 -0.290 -12.893 4.676 1.00 0.00 C ATOM 1169 O GLU A 75 0.275 -13.767 4.016 1.00 0.00 O ATOM 1170 CB GLU A 75 -2.433 -13.227 5.921 1.00 0.00 C ATOM 1171 CG GLU A 75 -3.129 -13.866 7.111 1.00 0.00 C ATOM 1172 CD GLU A 75 -2.887 -15.361 7.195 1.00 0.00 C ATOM 1173 OE1 GLU A 75 -1.724 -15.779 7.357 1.00 0.00 O ATOM 1174 OE2 GLU A 75 -3.865 -16.130 7.100 1.00 0.00 O ATOM 0 H GLU A 75 -1.236 -11.776 7.512 1.00 0.00 H new ATOM 0 HA GLU A 75 -0.566 -14.219 6.323 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -2.782 -12.200 5.815 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -2.723 -13.757 5.014 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -2.779 -13.393 8.029 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -4.201 -13.678 7.044 1.00 0.00 H new ATOM 1181 N CYS A 76 -0.345 -11.622 4.286 1.00 0.00 N ATOM 1182 CA CYS A 76 0.237 -11.189 3.018 1.00 0.00 C ATOM 1183 C CYS A 76 1.758 -11.300 3.040 1.00 0.00 C ATOM 1184 O CYS A 76 2.368 -11.688 2.045 1.00 0.00 O ATOM 1185 CB CYS A 76 -0.186 -9.759 2.680 1.00 0.00 C ATOM 1186 SG CYS A 76 -1.919 -9.602 2.184 1.00 0.00 S ATOM 0 H CYS A 76 -0.784 -10.877 4.827 1.00 0.00 H new ATOM 0 HA CYS A 76 -0.141 -11.854 2.241 1.00 0.00 H new ATOM 0 HB2 CYS A 76 -0.008 -9.124 3.548 1.00 0.00 H new ATOM 0 HB3 CYS A 76 0.447 -9.384 1.876 1.00 0.00 H new ATOM 1191 N CYS A 77 2.363 -10.986 4.179 1.00 0.00 N ATOM 1192 CA CYS A 77 3.811 -11.090 4.331 1.00 0.00 C ATOM 1193 C CYS A 77 4.263 -12.536 4.163 1.00 0.00 C ATOM 1194 O CYS A 77 5.242 -12.814 3.470 1.00 0.00 O ATOM 1195 CB CYS A 77 4.248 -10.560 5.698 1.00 0.00 C ATOM 1196 SG CYS A 77 3.850 -8.820 5.975 1.00 0.00 S ATOM 0 H CYS A 77 1.874 -10.657 5.012 1.00 0.00 H new ATOM 0 HA CYS A 77 4.279 -10.484 3.555 1.00 0.00 H new ATOM 0 HB2 CYS A 77 3.774 -11.158 6.476 1.00 0.00 H new ATOM 0 HB3 CYS A 77 5.324 -10.697 5.802 1.00 0.00 H new ATOM 0 HG CYS A 77 2.559 -8.668 5.996 1.00 0.00 H new ATOM 1202 N ARG A 78 3.516 -13.457 4.762 1.00 0.00 N ATOM 1203 CA ARG A 78 3.814 -14.879 4.653 1.00 0.00 C ATOM 1204 C ARG A 78 3.698 -15.346 3.204 1.00 0.00 C ATOM 1205 O ARG A 78 4.532 -16.111 2.722 1.00 0.00 O ATOM 1206 CB ARG A 78 2.877 -15.689 5.557 1.00 0.00 C ATOM 1207 CG ARG A 78 3.066 -17.200 5.466 1.00 0.00 C ATOM 1208 CD ARG A 78 4.532 -17.590 5.551 1.00 0.00 C ATOM 1209 NE ARG A 78 4.719 -19.023 5.774 1.00 0.00 N ATOM 1210 CZ ARG A 78 5.905 -19.632 5.716 1.00 0.00 C ATOM 1211 NH1 ARG A 78 6.990 -18.941 5.387 1.00 0.00 N ATOM 1212 NH2 ARG A 78 6.008 -20.925 5.988 1.00 0.00 N ATOM 0 H ARG A 78 2.697 -13.242 5.330 1.00 0.00 H new ATOM 0 HA ARG A 78 4.841 -15.042 4.981 1.00 0.00 H new ATOM 0 HB2 ARG A 78 3.029 -15.377 6.590 1.00 0.00 H new ATOM 0 HB3 ARG A 78 1.846 -15.448 5.300 1.00 0.00 H new ATOM 0 HG2 ARG A 78 2.513 -17.685 6.271 1.00 0.00 H new ATOM 0 HG3 ARG A 78 2.647 -17.563 4.528 1.00 0.00 H new ATOM 0 HD2 ARG A 78 5.036 -17.301 4.629 1.00 0.00 H new ATOM 0 HD3 ARG A 78 5.006 -17.035 6.361 1.00 0.00 H new ATOM 0 HE ARG A 78 3.897 -19.589 5.986 1.00 0.00 H new ATOM 0 HH11 ARG A 78 6.917 -17.945 5.179 1.00 0.00 H new ATOM 0 HH12 ARG A 78 7.897 -19.406 5.343 1.00 0.00 H new ATOM 0 HH21 ARG A 78 5.178 -21.460 6.243 1.00 0.00 H new ATOM 0 HH22 ARG A 78 6.917 -21.385 5.942 1.00 0.00 H new ATOM 1226 N LEU A 79 2.666 -14.882 2.517 1.00 0.00 N ATOM 1227 CA LEU A 79 2.457 -15.247 1.123 1.00 0.00 C ATOM 1228 C LEU A 79 3.512 -14.595 0.229 1.00 0.00 C ATOM 1229 O LEU A 79 3.965 -15.190 -0.749 1.00 0.00 O ATOM 1230 CB LEU A 79 1.053 -14.847 0.674 1.00 0.00 C ATOM 1231 CG LEU A 79 -0.085 -15.475 1.480 1.00 0.00 C ATOM 1232 CD1 LEU A 79 -1.435 -15.091 0.894 1.00 0.00 C ATOM 1233 CD2 LEU A 79 0.073 -16.987 1.533 1.00 0.00 C ATOM 0 H LEU A 79 1.961 -14.253 2.900 1.00 0.00 H new ATOM 0 HA LEU A 79 2.556 -16.329 1.032 1.00 0.00 H new ATOM 0 HB2 LEU A 79 0.964 -13.762 0.732 1.00 0.00 H new ATOM 0 HB3 LEU A 79 0.931 -15.121 -0.374 1.00 0.00 H new ATOM 0 HG LEU A 79 -0.039 -15.091 2.499 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -2.230 -15.548 1.482 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -1.546 -14.007 0.915 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -1.498 -15.442 -0.136 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -0.745 -17.418 2.110 1.00 0.00 H new ATOM 0 HD22 LEU A 79 0.055 -17.390 0.521 1.00 0.00 H new ATOM 0 HD23 LEU A 79 1.022 -17.237 2.006 1.00 0.00 H new ATOM 1245 N GLY A 80 3.939 -13.399 0.603 1.00 0.00 N ATOM 1246 CA GLY A 80 4.989 -12.720 -0.130 1.00 0.00 C ATOM 1247 C GLY A 80 4.477 -11.546 -0.939 1.00 0.00 C ATOM 1248 O GLY A 80 5.131 -11.103 -1.878 1.00 0.00 O ATOM 0 H GLY A 80 3.576 -12.884 1.405 1.00 0.00 H new ATOM 0 HA2 GLY A 80 5.746 -12.369 0.571 1.00 0.00 H new ATOM 0 HA3 GLY A 80 5.477 -13.430 -0.798 1.00 0.00 H new ATOM 1252 N LYS A 81 3.319 -11.027 -0.556 1.00 0.00 N ATOM 1253 CA LYS A 81 2.722 -9.886 -1.221 1.00 0.00 C ATOM 1254 C LYS A 81 3.551 -8.625 -1.021 1.00 0.00 C ATOM 1255 O LYS A 81 3.516 -7.712 -1.843 1.00 0.00 O ATOM 1256 CB LYS A 81 1.313 -9.670 -0.690 1.00 0.00 C ATOM 1257 CG LYS A 81 0.261 -10.555 -1.336 1.00 0.00 C ATOM 1258 CD LYS A 81 0.449 -12.038 -1.058 1.00 0.00 C ATOM 1259 CE LYS A 81 1.207 -12.728 -2.185 1.00 0.00 C ATOM 1260 NZ LYS A 81 0.548 -12.536 -3.504 1.00 0.00 N ATOM 0 H LYS A 81 2.770 -11.387 0.224 1.00 0.00 H new ATOM 0 HA LYS A 81 2.688 -10.094 -2.290 1.00 0.00 H new ATOM 0 HB2 LYS A 81 1.311 -9.848 0.385 1.00 0.00 H new ATOM 0 HB3 LYS A 81 1.036 -8.627 -0.841 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -0.724 -10.251 -0.981 1.00 0.00 H new ATOM 0 HG3 LYS A 81 0.276 -10.393 -2.414 1.00 0.00 H new ATOM 0 HD2 LYS A 81 0.991 -12.167 -0.121 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -0.525 -12.511 -0.930 1.00 0.00 H new ATOM 0 HE2 LYS A 81 2.224 -12.338 -2.229 1.00 0.00 H new ATOM 0 HE3 LYS A 81 1.283 -13.794 -1.970 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 0.489 -13.449 -3.999 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -0.410 -12.157 -3.362 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 1.103 -11.868 -4.076 1.00 0.00 H new ATOM 1274 N ASP A 82 4.308 -8.588 0.064 1.00 0.00 N ATOM 1275 CA ASP A 82 5.176 -7.455 0.347 1.00 0.00 C ATOM 1276 C ASP A 82 6.286 -7.350 -0.696 1.00 0.00 C ATOM 1277 O ASP A 82 6.569 -6.268 -1.203 1.00 0.00 O ATOM 1278 CB ASP A 82 5.777 -7.552 1.758 1.00 0.00 C ATOM 1279 CG ASP A 82 6.622 -8.793 1.987 1.00 0.00 C ATOM 1280 OD1 ASP A 82 6.389 -9.823 1.322 1.00 0.00 O ATOM 1281 OD2 ASP A 82 7.511 -8.751 2.864 1.00 0.00 O ATOM 0 H ASP A 82 4.339 -9.330 0.764 1.00 0.00 H new ATOM 0 HA ASP A 82 4.567 -6.552 0.300 1.00 0.00 H new ATOM 0 HB2 ASP A 82 6.389 -6.669 1.942 1.00 0.00 H new ATOM 0 HB3 ASP A 82 4.968 -7.536 2.488 1.00 0.00 H new ATOM 1286 N LYS A 83 6.879 -8.485 -1.041 1.00 0.00 N ATOM 1287 CA LYS A 83 7.938 -8.519 -2.044 1.00 0.00 C ATOM 1288 C LYS A 83 7.353 -8.580 -3.452 1.00 0.00 C ATOM 1289 O LYS A 83 8.074 -8.418 -4.439 1.00 0.00 O ATOM 1290 CB LYS A 83 8.885 -9.701 -1.805 1.00 0.00 C ATOM 1291 CG LYS A 83 8.216 -11.062 -1.892 1.00 0.00 C ATOM 1292 CD LYS A 83 9.202 -12.191 -1.639 1.00 0.00 C ATOM 1293 CE LYS A 83 9.794 -12.119 -0.239 1.00 0.00 C ATOM 1294 NZ LYS A 83 10.744 -13.230 0.025 1.00 0.00 N ATOM 0 H LYS A 83 6.646 -9.394 -0.642 1.00 0.00 H new ATOM 0 HA LYS A 83 8.513 -7.598 -1.951 1.00 0.00 H new ATOM 0 HB2 LYS A 83 9.693 -9.658 -2.535 1.00 0.00 H new ATOM 0 HB3 LYS A 83 9.340 -9.594 -0.820 1.00 0.00 H new ATOM 0 HG2 LYS A 83 7.406 -11.116 -1.165 1.00 0.00 H new ATOM 0 HG3 LYS A 83 7.768 -11.185 -2.878 1.00 0.00 H new ATOM 0 HD2 LYS A 83 8.700 -13.149 -1.773 1.00 0.00 H new ATOM 0 HD3 LYS A 83 10.004 -12.146 -2.376 1.00 0.00 H new ATOM 0 HE2 LYS A 83 10.307 -11.166 -0.112 1.00 0.00 H new ATOM 0 HE3 LYS A 83 8.990 -12.148 0.496 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 11.123 -13.141 0.990 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 10.249 -14.140 -0.070 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 11.526 -13.188 -0.659 1.00 0.00 H new ATOM 1308 N ASP A 84 6.038 -8.779 -3.535 1.00 0.00 N ATOM 1309 CA ASP A 84 5.343 -8.796 -4.819 1.00 0.00 C ATOM 1310 C ASP A 84 5.527 -7.461 -5.520 1.00 0.00 C ATOM 1311 O ASP A 84 5.990 -7.405 -6.660 1.00 0.00 O ATOM 1312 CB ASP A 84 3.850 -9.086 -4.633 1.00 0.00 C ATOM 1313 CG ASP A 84 3.489 -10.540 -4.873 1.00 0.00 C ATOM 1314 OD1 ASP A 84 4.353 -11.308 -5.341 1.00 0.00 O ATOM 1315 OD2 ASP A 84 2.329 -10.920 -4.615 1.00 0.00 O ATOM 0 H ASP A 84 5.434 -8.931 -2.727 1.00 0.00 H new ATOM 0 HA ASP A 84 5.771 -9.591 -5.430 1.00 0.00 H new ATOM 0 HB2 ASP A 84 3.556 -8.808 -3.621 1.00 0.00 H new ATOM 0 HB3 ASP A 84 3.277 -8.459 -5.316 1.00 0.00 H new ATOM 1320 N GLY A 85 5.274 -6.382 -4.794 1.00 0.00 N ATOM 1321 CA GLY A 85 5.555 -5.070 -5.327 1.00 0.00 C ATOM 1322 C GLY A 85 4.626 -3.994 -4.814 1.00 0.00 C ATOM 1323 O GLY A 85 4.314 -3.931 -3.627 1.00 0.00 O ATOM 0 H GLY A 85 4.882 -6.393 -3.852 1.00 0.00 H new ATOM 0 HA2 GLY A 85 6.582 -4.799 -5.080 1.00 0.00 H new ATOM 0 HA3 GLY A 85 5.488 -5.107 -6.414 1.00 0.00 H new ATOM 1327 N CYS A 86 4.254 -3.112 -5.727 1.00 0.00 N ATOM 1328 CA CYS A 86 3.431 -1.945 -5.433 1.00 0.00 C ATOM 1329 C CYS A 86 1.994 -2.336 -5.078 1.00 0.00 C ATOM 1330 O CYS A 86 1.271 -2.898 -5.901 1.00 0.00 O ATOM 1331 CB CYS A 86 3.456 -1.050 -6.670 1.00 0.00 C ATOM 1332 SG CYS A 86 2.677 0.567 -6.498 1.00 0.00 S ATOM 0 H CYS A 86 4.518 -3.186 -6.709 1.00 0.00 H new ATOM 0 HA CYS A 86 3.830 -1.422 -4.564 1.00 0.00 H new ATOM 0 HB2 CYS A 86 4.495 -0.900 -6.964 1.00 0.00 H new ATOM 0 HB3 CYS A 86 2.967 -1.581 -7.487 1.00 0.00 H new ATOM 1337 N PRO A 87 1.558 -2.019 -3.850 1.00 0.00 N ATOM 1338 CA PRO A 87 0.214 -2.345 -3.367 1.00 0.00 C ATOM 1339 C PRO A 87 -0.828 -1.291 -3.728 1.00 0.00 C ATOM 1340 O PRO A 87 -1.872 -1.191 -3.083 1.00 0.00 O ATOM 1341 CB PRO A 87 0.417 -2.397 -1.861 1.00 0.00 C ATOM 1342 CG PRO A 87 1.463 -1.372 -1.597 1.00 0.00 C ATOM 1343 CD PRO A 87 2.353 -1.334 -2.815 1.00 0.00 C ATOM 0 HA PRO A 87 -0.170 -3.264 -3.810 1.00 0.00 H new ATOM 0 HB2 PRO A 87 -0.506 -2.171 -1.327 1.00 0.00 H new ATOM 0 HB3 PRO A 87 0.739 -3.387 -1.537 1.00 0.00 H new ATOM 0 HG2 PRO A 87 1.012 -0.396 -1.417 1.00 0.00 H new ATOM 0 HG3 PRO A 87 2.037 -1.626 -0.706 1.00 0.00 H new ATOM 0 HD2 PRO A 87 2.591 -0.311 -3.105 1.00 0.00 H new ATOM 0 HD3 PRO A 87 3.300 -1.843 -2.635 1.00 0.00 H new ATOM 1351 N ARG A 88 -0.567 -0.545 -4.791 1.00 0.00 N ATOM 1352 CA ARG A 88 -1.516 0.441 -5.280 1.00 0.00 C ATOM 1353 C ARG A 88 -2.679 -0.259 -5.970 1.00 0.00 C ATOM 1354 O ARG A 88 -2.469 -1.145 -6.795 1.00 0.00 O ATOM 1355 CB ARG A 88 -0.817 1.409 -6.232 1.00 0.00 C ATOM 1356 CG ARG A 88 -0.617 2.792 -5.641 1.00 0.00 C ATOM 1357 CD ARG A 88 -1.847 3.654 -5.855 1.00 0.00 C ATOM 1358 NE ARG A 88 -1.782 4.924 -5.135 1.00 0.00 N ATOM 1359 CZ ARG A 88 -2.466 6.006 -5.497 1.00 0.00 C ATOM 1360 NH1 ARG A 88 -3.085 6.039 -6.673 1.00 0.00 N ATOM 1361 NH2 ARG A 88 -2.505 7.071 -4.710 1.00 0.00 N ATOM 0 H ARG A 88 0.296 -0.605 -5.332 1.00 0.00 H new ATOM 0 HA ARG A 88 -1.910 1.013 -4.440 1.00 0.00 H new ATOM 0 HB2 ARG A 88 0.153 0.997 -6.511 1.00 0.00 H new ATOM 0 HB3 ARG A 88 -1.402 1.494 -7.148 1.00 0.00 H new ATOM 0 HG2 ARG A 88 -0.407 2.709 -4.575 1.00 0.00 H new ATOM 0 HG3 ARG A 88 0.250 3.267 -6.101 1.00 0.00 H new ATOM 0 HD2 ARG A 88 -1.966 3.851 -6.920 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -2.731 3.104 -5.533 1.00 0.00 H new ATOM 0 HE ARG A 88 -1.181 4.984 -4.313 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -3.036 5.234 -7.298 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -3.609 6.869 -6.950 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -2.008 7.065 -3.819 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -3.032 7.897 -4.995 1.00 0.00 H new ATOM 1375 N ILE A 89 -3.886 0.025 -5.518 1.00 0.00 N ATOM 1376 CA ILE A 89 -5.057 -0.696 -5.985 1.00 0.00 C ATOM 1377 C ILE A 89 -5.516 -0.231 -7.367 1.00 0.00 C ATOM 1378 O ILE A 89 -6.139 0.825 -7.511 1.00 0.00 O ATOM 1379 CB ILE A 89 -6.222 -0.567 -4.971 1.00 0.00 C ATOM 1380 CG1 ILE A 89 -5.887 -1.317 -3.682 1.00 0.00 C ATOM 1381 CG2 ILE A 89 -7.526 -1.090 -5.559 1.00 0.00 C ATOM 1382 CD1 ILE A 89 -5.815 -2.816 -3.864 1.00 0.00 C ATOM 0 H ILE A 89 -4.082 0.750 -4.828 1.00 0.00 H new ATOM 0 HA ILE A 89 -4.766 -1.743 -6.070 1.00 0.00 H new ATOM 0 HB ILE A 89 -6.354 0.491 -4.744 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -4.932 -0.958 -3.299 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -6.640 -1.085 -2.929 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -8.324 -0.986 -4.824 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -7.778 -0.518 -6.452 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -7.410 -2.141 -5.823 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -5.574 -3.287 -2.911 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -6.777 -3.186 -4.218 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -5.042 -3.057 -4.594 1.00 0.00 H new ATOM 1394 N LEU A 90 -5.340 -1.104 -8.353 1.00 0.00 N ATOM 1395 CA LEU A 90 -5.918 -0.891 -9.672 1.00 0.00 C ATOM 1396 C LEU A 90 -7.366 -1.368 -9.646 1.00 0.00 C ATOM 1397 O LEU A 90 -8.212 -0.890 -10.403 1.00 0.00 O ATOM 1398 CB LEU A 90 -5.124 -1.629 -10.756 1.00 0.00 C ATOM 1399 CG LEU A 90 -3.626 -1.313 -10.799 1.00 0.00 C ATOM 1400 CD1 LEU A 90 -2.946 -2.127 -11.887 1.00 0.00 C ATOM 1401 CD2 LEU A 90 -3.393 0.172 -11.024 1.00 0.00 C ATOM 0 H LEU A 90 -4.801 -1.965 -8.262 1.00 0.00 H new ATOM 0 HA LEU A 90 -5.879 0.171 -9.916 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -5.248 -2.702 -10.607 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -5.557 -1.389 -11.727 1.00 0.00 H new ATOM 0 HG LEU A 90 -3.192 -1.584 -9.837 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -1.882 -1.892 -11.906 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -3.079 -3.190 -11.684 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -3.388 -1.884 -12.853 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -2.322 0.372 -11.051 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -3.842 0.471 -11.971 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -3.848 0.739 -10.212 1.00 0.00 H new ATOM 1413 N ASN A 91 -7.630 -2.317 -8.737 1.00 0.00 N ATOM 1414 CA ASN A 91 -8.984 -2.836 -8.488 1.00 0.00 C ATOM 1415 C ASN A 91 -9.900 -1.729 -7.921 1.00 0.00 C ATOM 1416 O ASN A 91 -9.773 -0.557 -8.274 1.00 0.00 O ATOM 1417 CB ASN A 91 -8.888 -4.019 -7.499 1.00 0.00 C ATOM 1418 CG ASN A 91 -10.068 -4.985 -7.562 1.00 0.00 C ATOM 1419 OD1 ASN A 91 -11.189 -4.656 -7.186 1.00 0.00 O ATOM 1420 ND2 ASN A 91 -9.814 -6.196 -8.023 1.00 0.00 N ATOM 0 H ASN A 91 -6.912 -2.747 -8.154 1.00 0.00 H new ATOM 0 HA ASN A 91 -9.420 -3.176 -9.427 1.00 0.00 H new ATOM 0 HB2 ASN A 91 -7.970 -4.571 -7.699 1.00 0.00 H new ATOM 0 HB3 ASN A 91 -8.809 -3.625 -6.486 1.00 0.00 H new ATOM 0 HD21 ASN A 91 -10.561 -6.889 -8.074 1.00 0.00 H new ATOM 0 HD22 ASN A 91 -8.871 -6.438 -8.328 1.00 0.00 H new ATOM 1427 N LEU A 92 -10.790 -2.096 -7.013 1.00 0.00 N ATOM 1428 CA LEU A 92 -11.701 -1.150 -6.384 1.00 0.00 C ATOM 1429 C LEU A 92 -12.228 -1.758 -5.081 1.00 0.00 C ATOM 1430 O LEU A 92 -11.466 -2.414 -4.372 1.00 0.00 O ATOM 1431 CB LEU A 92 -12.840 -0.758 -7.344 1.00 0.00 C ATOM 1432 CG LEU A 92 -13.822 -1.866 -7.743 1.00 0.00 C ATOM 1433 CD1 LEU A 92 -15.109 -1.243 -8.245 1.00 0.00 C ATOM 1434 CD2 LEU A 92 -13.230 -2.759 -8.820 1.00 0.00 C ATOM 0 H LEU A 92 -10.902 -3.057 -6.691 1.00 0.00 H new ATOM 0 HA LEU A 92 -11.169 -0.229 -6.146 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -13.409 0.050 -6.884 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -12.394 -0.356 -8.254 1.00 0.00 H new ATOM 0 HG LEU A 92 -14.025 -2.480 -6.866 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -15.808 -2.030 -8.529 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -15.550 -0.633 -7.456 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -14.896 -0.617 -9.111 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -13.948 -3.536 -9.084 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -13.001 -2.162 -9.703 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -12.316 -3.221 -8.448 1.00 0.00 H new ATOM 1446 N GLY A 93 -13.504 -1.544 -4.758 1.00 0.00 N ATOM 1447 CA GLY A 93 -14.061 -2.091 -3.534 1.00 0.00 C ATOM 1448 C GLY A 93 -14.050 -3.610 -3.516 1.00 0.00 C ATOM 1449 O GLY A 93 -13.569 -4.219 -2.559 1.00 0.00 O ATOM 0 H GLY A 93 -14.159 -1.002 -5.322 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -13.494 -1.717 -2.682 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -15.085 -1.737 -3.415 1.00 0.00 H new ATOM 1453 N SER A 94 -14.573 -4.223 -4.571 1.00 0.00 N ATOM 1454 CA SER A 94 -14.612 -5.677 -4.678 1.00 0.00 C ATOM 1455 C SER A 94 -14.687 -6.103 -6.142 1.00 0.00 C ATOM 1456 O SER A 94 -15.593 -5.690 -6.869 1.00 0.00 O ATOM 1457 CB SER A 94 -15.818 -6.236 -3.914 1.00 0.00 C ATOM 1458 OG SER A 94 -15.782 -5.853 -2.548 1.00 0.00 O ATOM 0 H SER A 94 -14.978 -3.733 -5.369 1.00 0.00 H new ATOM 0 HA SER A 94 -13.697 -6.076 -4.240 1.00 0.00 H new ATOM 0 HB2 SER A 94 -16.740 -5.877 -4.371 1.00 0.00 H new ATOM 0 HB3 SER A 94 -15.828 -7.323 -3.990 1.00 0.00 H new ATOM 0 HG SER A 94 -16.563 -6.221 -2.084 1.00 0.00 H new ATOM 1464 N ASN A 95 -13.735 -6.936 -6.556 1.00 0.00 N ATOM 1465 CA ASN A 95 -13.678 -7.455 -7.925 1.00 0.00 C ATOM 1466 C ASN A 95 -12.459 -8.361 -8.072 1.00 0.00 C ATOM 1467 O ASN A 95 -11.609 -8.147 -8.933 1.00 0.00 O ATOM 1468 CB ASN A 95 -13.608 -6.311 -8.947 1.00 0.00 C ATOM 1469 CG ASN A 95 -14.028 -6.731 -10.347 1.00 0.00 C ATOM 1470 OD1 ASN A 95 -15.110 -6.144 -10.834 1.00 0.00 O flip ATOM 1471 ND2 ASN A 95 -13.393 -7.570 -10.987 1.00 0.00 N flip ATOM 0 H ASN A 95 -12.982 -7.271 -5.955 1.00 0.00 H new ATOM 0 HA ASN A 95 -14.586 -8.025 -8.120 1.00 0.00 H new ATOM 0 HB2 ASN A 95 -14.248 -5.494 -8.613 1.00 0.00 H new ATOM 0 HB3 ASN A 95 -12.589 -5.925 -8.981 1.00 0.00 H new ATOM 0 HD21 ASN A 95 -12.564 -8.002 -10.579 1.00 0.00 H new ATOM 0 HD22 ASN A 95 -13.697 -7.833 -11.925 1.00 0.00 H new ATOM 1478 N ARG A 96 -12.317 -9.300 -7.142 1.00 0.00 N ATOM 1479 CA ARG A 96 -11.155 -10.182 -7.114 1.00 0.00 C ATOM 1480 C ARG A 96 -11.442 -11.434 -6.283 1.00 0.00 C ATOM 1481 O ARG A 96 -12.549 -11.973 -6.345 1.00 0.00 O ATOM 1482 CB ARG A 96 -9.914 -9.426 -6.595 1.00 0.00 C ATOM 1483 CG ARG A 96 -10.208 -8.416 -5.488 1.00 0.00 C ATOM 1484 CD ARG A 96 -10.483 -9.096 -4.163 1.00 0.00 C ATOM 1485 NE ARG A 96 -9.256 -9.604 -3.546 1.00 0.00 N ATOM 1486 CZ ARG A 96 -8.353 -8.835 -2.936 1.00 0.00 C ATOM 1487 NH1 ARG A 96 -8.596 -7.542 -2.738 1.00 0.00 N ATOM 1488 NH2 ARG A 96 -7.221 -9.370 -2.493 1.00 0.00 N ATOM 0 H ARG A 96 -12.993 -9.470 -6.397 1.00 0.00 H new ATOM 0 HA ARG A 96 -10.942 -10.509 -8.132 1.00 0.00 H new ATOM 0 HB2 ARG A 96 -9.190 -10.152 -6.225 1.00 0.00 H new ATOM 0 HB3 ARG A 96 -9.445 -8.905 -7.430 1.00 0.00 H new ATOM 0 HG2 ARG A 96 -9.361 -7.739 -5.380 1.00 0.00 H new ATOM 0 HG3 ARG A 96 -11.068 -7.808 -5.770 1.00 0.00 H new ATOM 0 HD2 ARG A 96 -10.965 -8.391 -3.486 1.00 0.00 H new ATOM 0 HD3 ARG A 96 -11.181 -9.919 -4.315 1.00 0.00 H new ATOM 0 HE ARG A 96 -9.081 -10.608 -3.585 1.00 0.00 H new ATOM 0 HH11 ARG A 96 -9.476 -7.134 -3.053 1.00 0.00 H new ATOM 0 HH12 ARG A 96 -7.902 -6.958 -2.271 1.00 0.00 H new ATOM 0 HH21 ARG A 96 -7.044 -10.367 -2.620 1.00 0.00 H new ATOM 0 HH22 ARG A 96 -6.529 -8.784 -2.026 1.00 0.00 H new ATOM 1502 N LEU A 97 -10.431 -11.915 -5.556 1.00 0.00 N ATOM 1503 CA LEU A 97 -10.548 -13.124 -4.737 1.00 0.00 C ATOM 1504 C LEU A 97 -10.740 -14.361 -5.605 1.00 0.00 C ATOM 1505 O LEU A 97 -11.301 -15.363 -5.160 1.00 0.00 O ATOM 1506 CB LEU A 97 -11.697 -13.005 -3.724 1.00 0.00 C ATOM 1507 CG LEU A 97 -11.479 -11.989 -2.599 1.00 0.00 C ATOM 1508 CD1 LEU A 97 -12.732 -11.854 -1.753 1.00 0.00 C ATOM 1509 CD2 LEU A 97 -10.295 -12.398 -1.734 1.00 0.00 C ATOM 0 H LEU A 97 -9.510 -11.479 -5.518 1.00 0.00 H new ATOM 0 HA LEU A 97 -9.614 -13.231 -4.185 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -12.606 -12.737 -4.262 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -11.868 -13.985 -3.278 1.00 0.00 H new ATOM 0 HG LEU A 97 -11.261 -11.020 -3.048 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -12.558 -11.128 -0.959 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -13.559 -11.517 -2.378 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -12.980 -12.820 -1.313 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -10.154 -11.665 -0.940 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -10.486 -13.377 -1.295 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -9.395 -12.445 -2.348 1.00 0.00 H new ATOM 1521 N ASP A 98 -10.169 -14.335 -6.801 1.00 0.00 N ATOM 1522 CA ASP A 98 -10.200 -15.504 -7.667 1.00 0.00 C ATOM 1523 C ASP A 98 -9.168 -16.512 -7.184 1.00 0.00 C ATOM 1524 O ASP A 98 -8.035 -16.145 -6.863 1.00 0.00 O ATOM 1525 CB ASP A 98 -9.918 -15.124 -9.121 1.00 0.00 C ATOM 1526 CG ASP A 98 -10.413 -16.173 -10.103 1.00 0.00 C ATOM 1527 OD1 ASP A 98 -10.142 -17.370 -9.898 1.00 0.00 O ATOM 1528 OD2 ASP A 98 -11.072 -15.798 -11.096 1.00 0.00 O ATOM 0 H ASP A 98 -9.684 -13.527 -7.190 1.00 0.00 H new ATOM 0 HA ASP A 98 -11.197 -15.943 -7.624 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -10.395 -14.169 -9.343 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -8.845 -14.983 -9.255 1.00 0.00 H new ATOM 1533 N ARG A 99 -9.586 -17.757 -7.036 1.00 0.00 N ATOM 1534 CA ARG A 99 -8.707 -18.804 -6.535 1.00 0.00 C ATOM 1535 C ARG A 99 -8.060 -19.568 -7.683 1.00 0.00 C ATOM 1536 O ARG A 99 -7.002 -20.173 -7.521 1.00 0.00 O ATOM 1537 CB ARG A 99 -9.471 -19.764 -5.621 1.00 0.00 C ATOM 1538 CG ARG A 99 -10.060 -19.106 -4.375 1.00 0.00 C ATOM 1539 CD ARG A 99 -8.982 -18.512 -3.471 1.00 0.00 C ATOM 1540 NE ARG A 99 -8.400 -17.289 -4.029 1.00 0.00 N ATOM 1541 CZ ARG A 99 -7.375 -16.631 -3.489 1.00 0.00 C ATOM 1542 NH1 ARG A 99 -6.827 -17.053 -2.355 1.00 0.00 N ATOM 1543 NH2 ARG A 99 -6.898 -15.548 -4.090 1.00 0.00 N ATOM 0 H ARG A 99 -10.532 -18.070 -7.256 1.00 0.00 H new ATOM 0 HA ARG A 99 -7.918 -18.327 -5.953 1.00 0.00 H new ATOM 0 HB2 ARG A 99 -10.278 -20.225 -6.190 1.00 0.00 H new ATOM 0 HB3 ARG A 99 -8.800 -20.565 -5.312 1.00 0.00 H new ATOM 0 HG2 ARG A 99 -10.754 -18.320 -4.675 1.00 0.00 H new ATOM 0 HG3 ARG A 99 -10.636 -19.843 -3.815 1.00 0.00 H new ATOM 0 HD2 ARG A 99 -9.411 -18.294 -2.493 1.00 0.00 H new ATOM 0 HD3 ARG A 99 -8.194 -19.249 -3.317 1.00 0.00 H new ATOM 0 HE ARG A 99 -8.806 -16.917 -4.887 1.00 0.00 H new ATOM 0 HH11 ARG A 99 -7.191 -17.886 -1.892 1.00 0.00 H new ATOM 0 HH12 ARG A 99 -6.043 -16.544 -1.947 1.00 0.00 H new ATOM 0 HH21 ARG A 99 -7.316 -15.223 -4.962 1.00 0.00 H new ATOM 0 HH22 ARG A 99 -6.113 -15.041 -3.680 1.00 0.00 H new ATOM 1557 N HIS A 100 -8.664 -19.481 -8.858 1.00 0.00 N ATOM 1558 CA HIS A 100 -8.111 -20.122 -10.042 1.00 0.00 C ATOM 1559 C HIS A 100 -7.927 -19.109 -11.165 1.00 0.00 C ATOM 1560 O HIS A 100 -8.314 -19.350 -12.311 1.00 0.00 O ATOM 1561 CB HIS A 100 -8.989 -21.299 -10.508 1.00 0.00 C ATOM 1562 CG HIS A 100 -10.422 -20.951 -10.807 1.00 0.00 C ATOM 1563 ND1 HIS A 100 -11.375 -20.758 -9.830 1.00 0.00 N ATOM 1564 CD2 HIS A 100 -11.057 -20.760 -11.989 1.00 0.00 C ATOM 1565 CE1 HIS A 100 -12.531 -20.464 -10.398 1.00 0.00 C ATOM 1566 NE2 HIS A 100 -12.366 -20.458 -11.707 1.00 0.00 N ATOM 0 H HIS A 100 -9.535 -18.974 -9.018 1.00 0.00 H new ATOM 0 HA HIS A 100 -7.134 -20.524 -9.775 1.00 0.00 H new ATOM 0 HB2 HIS A 100 -8.543 -21.732 -11.403 1.00 0.00 H new ATOM 0 HB3 HIS A 100 -8.972 -22.071 -9.738 1.00 0.00 H new ATOM 0 HD2 HIS A 100 -10.615 -20.832 -12.972 1.00 0.00 H new ATOM 0 HE1 HIS A 100 -13.456 -20.262 -9.878 1.00 0.00 H new ATOM 0 HE2 HIS A 100 -13.092 -20.261 -12.396 1.00 0.00 H new ATOM 1575 N PHE A 101 -7.326 -17.977 -10.831 1.00 0.00 N ATOM 1576 CA PHE A 101 -7.064 -16.944 -11.820 1.00 0.00 C ATOM 1577 C PHE A 101 -6.057 -17.452 -12.842 1.00 0.00 C ATOM 1578 O PHE A 101 -4.928 -17.800 -12.494 1.00 0.00 O ATOM 1579 CB PHE A 101 -6.542 -15.668 -11.154 1.00 0.00 C ATOM 1580 CG PHE A 101 -6.261 -14.553 -12.126 1.00 0.00 C ATOM 1581 CD1 PHE A 101 -7.176 -14.230 -13.119 1.00 0.00 C ATOM 1582 CD2 PHE A 101 -5.088 -13.827 -12.043 1.00 0.00 C ATOM 1583 CE1 PHE A 101 -6.917 -13.205 -14.010 1.00 0.00 C ATOM 1584 CE2 PHE A 101 -4.825 -12.800 -12.928 1.00 0.00 C ATOM 1585 CZ PHE A 101 -5.742 -12.487 -13.911 1.00 0.00 C ATOM 0 H PHE A 101 -7.012 -17.751 -9.887 1.00 0.00 H new ATOM 0 HA PHE A 101 -8.000 -16.704 -12.325 1.00 0.00 H new ATOM 0 HB2 PHE A 101 -7.273 -15.325 -10.422 1.00 0.00 H new ATOM 0 HB3 PHE A 101 -5.628 -15.901 -10.607 1.00 0.00 H new ATOM 0 HD1 PHE A 101 -8.099 -14.785 -13.196 1.00 0.00 H new ATOM 0 HD2 PHE A 101 -4.367 -14.066 -11.275 1.00 0.00 H new ATOM 0 HE1 PHE A 101 -7.633 -12.966 -14.783 1.00 0.00 H new ATOM 0 HE2 PHE A 101 -3.903 -12.243 -12.851 1.00 0.00 H new ATOM 0 HZ PHE A 101 -5.541 -11.682 -14.602 1.00 0.00 H new ATOM 1595 N GLU A 102 -6.498 -17.536 -14.086 1.00 0.00 N ATOM 1596 CA GLU A 102 -5.674 -18.047 -15.169 1.00 0.00 C ATOM 1597 C GLU A 102 -6.373 -17.753 -16.483 1.00 0.00 C ATOM 1598 O GLU A 102 -6.879 -18.653 -17.152 1.00 0.00 O ATOM 1599 CB GLU A 102 -5.442 -19.555 -15.004 1.00 0.00 C ATOM 1600 CG GLU A 102 -4.105 -20.050 -15.546 1.00 0.00 C ATOM 1601 CD GLU A 102 -4.009 -20.009 -17.059 1.00 0.00 C ATOM 1602 OE1 GLU A 102 -4.830 -20.664 -17.735 1.00 0.00 O ATOM 1603 OE2 GLU A 102 -3.086 -19.353 -17.584 1.00 0.00 O ATOM 0 H GLU A 102 -7.435 -17.253 -14.373 1.00 0.00 H new ATOM 0 HA GLU A 102 -4.699 -17.560 -15.154 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -5.507 -19.806 -13.945 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -6.246 -20.091 -15.509 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -3.304 -19.443 -15.123 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -3.942 -21.073 -15.208 1.00 0.00 H new ATOM 1610 N LYS A 103 -6.554 -16.475 -16.758 1.00 0.00 N ATOM 1611 CA LYS A 103 -7.302 -16.047 -17.925 1.00 0.00 C ATOM 1612 C LYS A 103 -6.371 -15.394 -18.930 1.00 0.00 C ATOM 1613 O LYS A 103 -6.258 -14.168 -18.971 1.00 0.00 O ATOM 1614 CB LYS A 103 -8.418 -15.082 -17.520 1.00 0.00 C ATOM 1615 CG LYS A 103 -9.326 -15.637 -16.433 1.00 0.00 C ATOM 1616 CD LYS A 103 -10.529 -14.743 -16.183 1.00 0.00 C ATOM 1617 CE LYS A 103 -11.493 -14.754 -17.359 1.00 0.00 C ATOM 1618 NZ LYS A 103 -11.984 -16.124 -17.660 1.00 0.00 N ATOM 0 H LYS A 103 -6.191 -15.712 -16.186 1.00 0.00 H new ATOM 0 HA LYS A 103 -7.758 -16.921 -18.389 1.00 0.00 H new ATOM 0 HB2 LYS A 103 -7.974 -14.149 -17.172 1.00 0.00 H new ATOM 0 HB3 LYS A 103 -9.018 -14.842 -18.398 1.00 0.00 H new ATOM 0 HG2 LYS A 103 -9.667 -16.632 -16.719 1.00 0.00 H new ATOM 0 HG3 LYS A 103 -8.759 -15.748 -15.509 1.00 0.00 H new ATOM 0 HD2 LYS A 103 -11.048 -15.075 -15.284 1.00 0.00 H new ATOM 0 HD3 LYS A 103 -10.192 -13.723 -15.998 1.00 0.00 H new ATOM 0 HE2 LYS A 103 -12.341 -14.105 -17.140 1.00 0.00 H new ATOM 0 HE3 LYS A 103 -10.997 -14.345 -18.239 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 -12.854 -16.064 -18.227 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 -11.258 -16.644 -18.193 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 -12.185 -16.624 -16.770 1.00 0.00 H new ATOM 1632 N LYS A 104 -5.608 -16.235 -19.637 1.00 0.00 N ATOM 1633 CA LYS A 104 -4.577 -15.789 -20.584 1.00 0.00 C ATOM 1634 C LYS A 104 -3.342 -15.259 -19.852 1.00 0.00 C ATOM 1635 O LYS A 104 -2.208 -15.558 -20.232 1.00 0.00 O ATOM 1636 CB LYS A 104 -5.112 -14.731 -21.567 1.00 0.00 C ATOM 1637 CG LYS A 104 -6.002 -15.290 -22.674 1.00 0.00 C ATOM 1638 CD LYS A 104 -7.339 -15.787 -22.145 1.00 0.00 C ATOM 1639 CE LYS A 104 -8.241 -16.278 -23.266 1.00 0.00 C ATOM 1640 NZ LYS A 104 -8.615 -15.188 -24.205 1.00 0.00 N ATOM 0 H LYS A 104 -5.688 -17.250 -19.569 1.00 0.00 H new ATOM 0 HA LYS A 104 -4.287 -16.664 -21.165 1.00 0.00 H new ATOM 0 HB2 LYS A 104 -5.675 -13.985 -21.007 1.00 0.00 H new ATOM 0 HB3 LYS A 104 -4.266 -14.216 -22.023 1.00 0.00 H new ATOM 0 HG2 LYS A 104 -6.175 -14.517 -23.423 1.00 0.00 H new ATOM 0 HG3 LYS A 104 -5.485 -16.109 -23.174 1.00 0.00 H new ATOM 0 HD2 LYS A 104 -7.171 -16.595 -21.433 1.00 0.00 H new ATOM 0 HD3 LYS A 104 -7.837 -14.983 -21.603 1.00 0.00 H new ATOM 0 HE2 LYS A 104 -7.735 -17.071 -23.816 1.00 0.00 H new ATOM 0 HE3 LYS A 104 -9.145 -16.713 -22.839 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 -9.394 -15.508 -24.816 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 -8.919 -14.353 -23.664 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 -7.794 -14.939 -24.793 1.00 0.00 H new ATOM 1654 N LYS A 105 -3.567 -14.516 -18.779 1.00 0.00 N ATOM 1655 CA LYS A 105 -2.487 -13.981 -17.968 1.00 0.00 C ATOM 1656 C LYS A 105 -2.769 -14.220 -16.488 1.00 0.00 C ATOM 1657 O LYS A 105 -3.921 -14.409 -16.089 1.00 0.00 O ATOM 1658 CB LYS A 105 -2.296 -12.487 -18.248 1.00 0.00 C ATOM 1659 CG LYS A 105 -3.527 -11.639 -17.975 1.00 0.00 C ATOM 1660 CD LYS A 105 -3.348 -10.224 -18.501 1.00 0.00 C ATOM 1661 CE LYS A 105 -4.541 -9.343 -18.169 1.00 0.00 C ATOM 1662 NZ LYS A 105 -4.618 -9.034 -16.716 1.00 0.00 N ATOM 0 H LYS A 105 -4.500 -14.268 -18.448 1.00 0.00 H new ATOM 0 HA LYS A 105 -1.564 -14.498 -18.231 1.00 0.00 H new ATOM 0 HB2 LYS A 105 -1.472 -12.117 -17.638 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -2.004 -12.359 -19.290 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -4.398 -12.097 -18.444 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -3.721 -11.609 -16.903 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -2.445 -9.789 -18.073 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -3.207 -10.253 -19.581 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -4.474 -8.413 -18.734 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -5.458 -9.841 -18.483 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 -5.343 -9.633 -16.272 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -3.696 -9.220 -16.272 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 -4.869 -8.033 -16.587 1.00 0.00 H new ATOM 1676 N LYS A 106 -1.706 -14.316 -15.703 1.00 0.00 N ATOM 1677 CA LYS A 106 -1.817 -14.627 -14.287 1.00 0.00 C ATOM 1678 C LYS A 106 -0.649 -14.016 -13.516 1.00 0.00 C ATOM 1679 O LYS A 106 0.509 -14.156 -13.914 1.00 0.00 O ATOM 1680 CB LYS A 106 -1.851 -16.149 -14.090 1.00 0.00 C ATOM 1681 CG LYS A 106 -1.665 -16.601 -12.650 1.00 0.00 C ATOM 1682 CD LYS A 106 -1.624 -18.118 -12.552 1.00 0.00 C ATOM 1683 CE LYS A 106 -1.237 -18.591 -11.158 1.00 0.00 C ATOM 1684 NZ LYS A 106 0.162 -18.221 -10.811 1.00 0.00 N ATOM 0 H LYS A 106 -0.748 -14.181 -16.028 1.00 0.00 H new ATOM 0 HA LYS A 106 -2.743 -14.200 -13.902 1.00 0.00 H new ATOM 0 HB2 LYS A 106 -2.804 -16.529 -14.457 1.00 0.00 H new ATOM 0 HB3 LYS A 106 -1.071 -16.600 -14.703 1.00 0.00 H new ATOM 0 HG2 LYS A 106 -0.741 -16.183 -12.251 1.00 0.00 H new ATOM 0 HG3 LYS A 106 -2.480 -16.216 -12.037 1.00 0.00 H new ATOM 0 HD2 LYS A 106 -2.601 -18.524 -12.814 1.00 0.00 H new ATOM 0 HD3 LYS A 106 -0.911 -18.509 -13.278 1.00 0.00 H new ATOM 0 HE2 LYS A 106 -1.919 -18.158 -10.426 1.00 0.00 H new ATOM 0 HE3 LYS A 106 -1.351 -19.673 -11.098 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 0.464 -18.755 -9.971 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 0.789 -18.448 -11.609 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 0.212 -17.202 -10.610 1.00 0.00 H new ATOM 1698 N VAL A 107 -0.960 -13.339 -12.420 1.00 0.00 N ATOM 1699 CA VAL A 107 0.061 -12.730 -11.579 1.00 0.00 C ATOM 1700 C VAL A 107 0.554 -13.735 -10.547 1.00 0.00 C ATOM 1701 O VAL A 107 1.771 -14.009 -10.503 1.00 0.00 O ATOM 1702 CB VAL A 107 -0.471 -11.473 -10.855 1.00 0.00 C ATOM 1703 CG1 VAL A 107 0.644 -10.790 -10.076 1.00 0.00 C ATOM 1704 CG2 VAL A 107 -1.104 -10.508 -11.849 1.00 0.00 C ATOM 1705 OXT VAL A 107 -0.287 -14.263 -9.789 1.00 0.00 O ATOM 0 H VAL A 107 -1.915 -13.197 -12.091 1.00 0.00 H new ATOM 0 HA VAL A 107 0.884 -12.428 -12.227 1.00 0.00 H new ATOM 0 HB VAL A 107 -1.239 -11.785 -10.147 1.00 0.00 H new ATOM 0 HG11 VAL A 107 0.249 -9.907 -9.573 1.00 0.00 H new ATOM 0 HG12 VAL A 107 1.045 -11.481 -9.334 1.00 0.00 H new ATOM 0 HG13 VAL A 107 1.437 -10.492 -10.762 1.00 0.00 H new ATOM 0 HG21 VAL A 107 -1.472 -9.630 -11.319 1.00 0.00 H new ATOM 0 HG22 VAL A 107 -0.359 -10.203 -12.584 1.00 0.00 H new ATOM 0 HG23 VAL A 107 -1.934 -11.000 -12.356 1.00 0.00 H new TER 1715 VAL A 107 HETATM 1716 ZN ZN A 108 2.620 1.516 -8.593 1.00 0.00 ZN HETATM 1717 ZN ZN A 109 -8.527 5.285 0.895 1.00 0.00 ZN HETATM 1718 ZN ZN A 110 -3.097 -8.665 3.912 1.00 0.00 ZN