USER MOD reduce.3.24.130724 H: found=0, std=0, add=763, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 763 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 12 THR OG1 : rot -140:sc= -0.226 USER MOD Set 1.2: A 32 SER OG : rot 135:sc= 0.16 USER MOD Single : A 1 SER N :NH3+ 175:sc= 0 (180deg=-0.0124) USER MOD Single : A 1 SER OG : rot 180:sc= 0 USER MOD Single : A 2 SER OG : rot 180:sc= -0.074 USER MOD Single : A 3 GLN : amide:sc= -1.8! C(o=-1.8!,f=-4.5!) USER MOD Single : A 4 THR OG1 : rot 180:sc= -0.0214 USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 ASN : amide:sc= -0.389 X(o=-0.39,f=-0.39) USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 ASN : amide:sc= -0.021 X(o=-0.021,f=-0.021) USER MOD Single : A 24 SER OG : rot -110:sc= -0.887 USER MOD Single : A 25 MET CE :methyl 156:sc= -0.115 (180deg=-0.817) USER MOD Single : A 27 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 28 THR OG1 : rot -6:sc= 0.256 USER MOD Single : A 29 LYS NZ :NH3+ -162:sc= -0.0729 (180deg=-0.616) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 THR OG1 : rot 180:sc=-0.00471 USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 ASN : amide:sc= -0.56 K(o=-0.56,f=-8.3!) USER MOD Single : A 43 SER OG : rot 180:sc= -0.132 USER MOD Single : A 45 ASN : amide:sc= -5.37! C(o=-5.4!,f=-5.4!) USER MOD Single : A 47 ASN : amide:sc= -4.03! C(o=-4!,f=-8.6!) USER MOD Single : A 52 TYR OH : rot 30:sc= 0 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 63 HIS : no HE2:sc= -6.65! C(o=-6.6!,f=-11!) USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 ASN : amide:sc= 0 X(o=0,f=-0.37) USER MOD Single : A 76 LYS NZ :NH3+ 138:sc= -0.0674 (180deg=-0.719) USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 86 THR OG1 : rot -36:sc= 1.16 USER MOD Single : A 88 GLN : amide:sc= 0 K(o=0,f=-1.2!) USER MOD Single : A 91 HIS : no HD1:sc= -0.711 X(o=-0.71,f=-0.44) USER MOD Single : A 92 HIS : no HD1:sc= -1.57 K(o=-1.6,f=-2.7!) USER MOD Single : A 93 HIS : no HE2:sc= -0.851 K(o=-0.85,f=-2.3!) USER MOD Single : A 94 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 95 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 96 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 -25.076 7.434 -25.051 1.00 1.00 N ATOM 2 CA SER A 1 -25.677 8.795 -25.164 1.00 1.00 C ATOM 3 C SER A 1 -25.509 9.542 -23.844 1.00 1.00 C ATOM 4 O SER A 1 -26.461 10.127 -23.328 1.00 1.00 O ATOM 5 CB SER A 1 -27.163 8.663 -25.491 1.00 1.00 C ATOM 6 OG SER A 1 -27.797 7.903 -24.471 1.00 1.00 O ATOM 0 H1 SER A 1 -25.266 6.897 -25.921 1.00 1.00 H new ATOM 0 H2 SER A 1 -24.049 7.519 -24.914 1.00 1.00 H new ATOM 0 H3 SER A 1 -25.494 6.936 -24.239 1.00 1.00 H new ATOM 0 HA SER A 1 -25.175 9.350 -25.957 1.00 1.00 H new ATOM 0 HB2 SER A 1 -27.621 9.649 -25.565 1.00 1.00 H new ATOM 0 HB3 SER A 1 -27.294 8.178 -26.458 1.00 1.00 H new ATOM 0 HG SER A 1 -28.752 7.816 -24.674 1.00 1.00 H new ATOM 14 N SER A 2 -24.296 9.516 -23.302 1.00 1.00 N ATOM 15 CA SER A 2 -23.989 10.189 -22.034 1.00 1.00 C ATOM 16 C SER A 2 -22.533 10.647 -22.034 1.00 1.00 C ATOM 17 O SER A 2 -21.675 10.018 -22.653 1.00 1.00 O ATOM 18 CB SER A 2 -24.227 9.220 -20.874 1.00 1.00 C ATOM 19 OG SER A 2 -25.558 8.724 -20.943 1.00 1.00 O ATOM 0 H SER A 2 -23.501 9.034 -23.721 1.00 1.00 H new ATOM 0 HA SER A 2 -24.636 11.058 -21.918 1.00 1.00 H new ATOM 0 HB2 SER A 2 -23.516 8.395 -20.922 1.00 1.00 H new ATOM 0 HB3 SER A 2 -24.064 9.726 -19.923 1.00 1.00 H new ATOM 0 HG SER A 2 -25.714 8.101 -20.202 1.00 1.00 H new ATOM 25 N GLN A 3 -22.238 11.743 -21.341 1.00 1.00 N ATOM 26 CA GLN A 3 -20.878 12.278 -21.273 1.00 1.00 C ATOM 27 C GLN A 3 -20.026 11.434 -20.333 1.00 1.00 C ATOM 28 O GLN A 3 -19.356 10.491 -20.755 1.00 1.00 O ATOM 29 CB GLN A 3 -20.921 13.732 -20.774 1.00 1.00 C ATOM 30 CG GLN A 3 -21.630 14.623 -21.807 1.00 1.00 C ATOM 31 CD GLN A 3 -23.117 14.284 -21.870 1.00 1.00 C ATOM 32 OE1 GLN A 3 -23.750 14.066 -20.835 1.00 1.00 O ATOM 33 NE2 GLN A 3 -23.714 14.217 -23.029 1.00 1.00 N ATOM 0 H GLN A 3 -22.926 12.282 -20.815 1.00 1.00 H new ATOM 0 HA GLN A 3 -20.435 12.249 -22.268 1.00 1.00 H new ATOM 0 HB2 GLN A 3 -21.444 13.782 -19.819 1.00 1.00 H new ATOM 0 HB3 GLN A 3 -19.908 14.096 -20.602 1.00 1.00 H new ATOM 0 HG2 GLN A 3 -21.501 15.672 -21.542 1.00 1.00 H new ATOM 0 HG3 GLN A 3 -21.177 14.484 -22.789 1.00 1.00 H new ATOM 0 HE21 GLN A 3 -23.189 14.398 -23.884 1.00 1.00 H new ATOM 0 HE22 GLN A 3 -24.706 13.984 -23.079 1.00 1.00 H new ATOM 42 N THR A 4 -20.057 11.761 -19.045 1.00 1.00 N ATOM 43 CA THR A 4 -19.296 11.020 -18.044 1.00 1.00 C ATOM 44 C THR A 4 -20.060 9.759 -17.664 1.00 1.00 C ATOM 45 O THR A 4 -20.822 9.203 -18.456 1.00 1.00 O ATOM 46 CB THR A 4 -19.083 11.888 -16.791 1.00 1.00 C ATOM 47 OG1 THR A 4 -20.328 12.087 -16.130 1.00 1.00 O ATOM 48 CG2 THR A 4 -18.493 13.239 -17.196 1.00 1.00 C ATOM 0 H THR A 4 -20.602 12.536 -18.669 1.00 1.00 H new ATOM 0 HA THR A 4 -18.324 10.753 -18.459 1.00 1.00 H new ATOM 0 HB THR A 4 -18.393 11.383 -16.115 1.00 1.00 H new ATOM 0 HG1 THR A 4 -20.190 12.638 -15.332 1.00 1.00 H new ATOM 0 HG21 THR A 4 -18.343 13.852 -16.307 1.00 1.00 H new ATOM 0 HG22 THR A 4 -17.536 13.083 -17.695 1.00 1.00 H new ATOM 0 HG23 THR A 4 -19.178 13.746 -17.875 1.00 1.00 H new ATOM 56 N LEU A 5 -19.868 9.298 -16.432 1.00 1.00 N ATOM 57 CA LEU A 5 -20.548 8.110 -15.933 1.00 1.00 C ATOM 58 C LEU A 5 -19.975 6.839 -16.557 1.00 1.00 C ATOM 59 O LEU A 5 -20.560 6.266 -17.475 1.00 1.00 O ATOM 60 CB LEU A 5 -22.078 8.211 -16.203 1.00 1.00 C ATOM 61 CG LEU A 5 -22.883 7.491 -15.089 1.00 1.00 C ATOM 62 CD1 LEU A 5 -22.415 6.018 -14.968 1.00 1.00 C ATOM 63 CD2 LEU A 5 -22.731 8.242 -13.719 1.00 1.00 C ATOM 0 H LEU A 5 -19.241 9.735 -15.756 1.00 1.00 H new ATOM 0 HA LEU A 5 -20.384 8.054 -14.857 1.00 1.00 H new ATOM 0 HB2 LEU A 5 -22.375 9.259 -16.253 1.00 1.00 H new ATOM 0 HB3 LEU A 5 -22.311 7.767 -17.171 1.00 1.00 H new ATOM 0 HG LEU A 5 -23.939 7.500 -15.357 1.00 1.00 H new ATOM 0 HD11 LEU A 5 -22.984 5.519 -14.184 1.00 1.00 H new ATOM 0 HD12 LEU A 5 -22.577 5.506 -15.916 1.00 1.00 H new ATOM 0 HD13 LEU A 5 -21.354 5.993 -14.718 1.00 1.00 H new ATOM 0 HD21 LEU A 5 -23.304 7.720 -12.952 1.00 1.00 H new ATOM 0 HD22 LEU A 5 -21.680 8.267 -13.433 1.00 1.00 H new ATOM 0 HD23 LEU A 5 -23.104 9.261 -13.819 1.00 1.00 H new ATOM 75 N ASP A 6 -18.826 6.401 -16.053 1.00 1.00 N ATOM 76 CA ASP A 6 -18.161 5.197 -16.541 1.00 1.00 C ATOM 77 C ASP A 6 -17.645 4.380 -15.364 1.00 1.00 C ATOM 78 O ASP A 6 -17.280 4.919 -14.319 1.00 1.00 O ATOM 79 CB ASP A 6 -17.007 5.592 -17.460 1.00 1.00 C ATOM 80 CG ASP A 6 -15.990 6.446 -16.704 1.00 1.00 C ATOM 81 OD1 ASP A 6 -16.250 6.779 -15.559 1.00 1.00 O ATOM 82 OD2 ASP A 6 -14.965 6.759 -17.287 1.00 1.00 O ATOM 0 H ASP A 6 -18.329 6.870 -15.295 1.00 1.00 H new ATOM 0 HA ASP A 6 -18.871 4.589 -17.102 1.00 1.00 H new ATOM 0 HB2 ASP A 6 -16.522 4.697 -17.849 1.00 1.00 H new ATOM 0 HB3 ASP A 6 -17.390 6.146 -18.317 1.00 1.00 H new ATOM 87 N ARG A 7 -17.609 3.063 -15.542 1.00 1.00 N ATOM 88 CA ARG A 7 -17.148 2.141 -14.492 1.00 1.00 C ATOM 89 C ARG A 7 -15.946 2.705 -13.726 1.00 1.00 C ATOM 90 O ARG A 7 -15.113 3.420 -14.283 1.00 1.00 O ATOM 91 CB ARG A 7 -16.789 0.797 -15.127 1.00 1.00 C ATOM 92 CG ARG A 7 -16.403 -0.214 -14.041 1.00 1.00 C ATOM 93 CD ARG A 7 -16.170 -1.579 -14.679 1.00 1.00 C ATOM 94 NE ARG A 7 -15.781 -2.540 -13.658 1.00 1.00 N ATOM 95 CZ ARG A 7 -15.593 -3.823 -13.952 1.00 1.00 C ATOM 96 NH1 ARG A 7 -15.748 -4.246 -15.181 1.00 1.00 N ATOM 97 NH2 ARG A 7 -15.247 -4.659 -13.011 1.00 1.00 N ATOM 0 H ARG A 7 -17.894 2.602 -16.406 1.00 1.00 H new ATOM 0 HA ARG A 7 -17.956 2.009 -13.772 1.00 1.00 H new ATOM 0 HB2 ARG A 7 -17.635 0.420 -15.701 1.00 1.00 H new ATOM 0 HB3 ARG A 7 -15.962 0.926 -15.825 1.00 1.00 H new ATOM 0 HG2 ARG A 7 -15.502 0.117 -13.525 1.00 1.00 H new ATOM 0 HG3 ARG A 7 -17.193 -0.280 -13.293 1.00 1.00 H new ATOM 0 HD2 ARG A 7 -17.077 -1.915 -15.181 1.00 1.00 H new ATOM 0 HD3 ARG A 7 -15.392 -1.507 -15.439 1.00 1.00 H new ATOM 0 HE ARG A 7 -15.650 -2.223 -12.697 1.00 1.00 H new ATOM 0 HH11 ARG A 7 -16.014 -3.591 -15.916 1.00 1.00 H new ATOM 0 HH12 ARG A 7 -15.603 -5.231 -15.403 1.00 1.00 H new ATOM 0 HH21 ARG A 7 -15.122 -4.327 -12.055 1.00 1.00 H new ATOM 0 HH22 ARG A 7 -15.102 -5.644 -13.232 1.00 1.00 H new ATOM 111 N ASP A 8 -15.849 2.387 -12.439 1.00 1.00 N ATOM 112 CA ASP A 8 -14.771 2.888 -11.592 1.00 1.00 C ATOM 113 C ASP A 8 -13.374 2.547 -12.168 1.00 1.00 C ATOM 114 O ASP A 8 -13.157 1.429 -12.636 1.00 1.00 O ATOM 115 CB ASP A 8 -14.920 2.291 -10.179 1.00 1.00 C ATOM 116 CG ASP A 8 -15.122 0.780 -10.256 1.00 1.00 C ATOM 117 OD1 ASP A 8 -16.239 0.364 -10.518 1.00 1.00 O ATOM 118 OD2 ASP A 8 -14.160 0.063 -10.041 1.00 1.00 O ATOM 0 H ASP A 8 -16.510 1.779 -11.956 1.00 1.00 H new ATOM 0 HA ASP A 8 -14.847 3.975 -11.552 1.00 1.00 H new ATOM 0 HB2 ASP A 8 -14.032 2.516 -9.587 1.00 1.00 H new ATOM 0 HB3 ASP A 8 -15.767 2.752 -9.671 1.00 1.00 H new ATOM 123 N PRO A 9 -12.428 3.445 -12.155 1.00 1.00 N ATOM 124 CA PRO A 9 -11.051 3.170 -12.690 1.00 1.00 C ATOM 125 C PRO A 9 -10.230 2.245 -11.782 1.00 1.00 C ATOM 126 O PRO A 9 -10.270 2.331 -10.555 1.00 1.00 O ATOM 127 CB PRO A 9 -10.405 4.575 -12.793 1.00 1.00 C ATOM 128 CG PRO A 9 -11.098 5.390 -11.734 1.00 1.00 C ATOM 129 CD PRO A 9 -12.530 4.831 -11.630 1.00 1.00 C ATOM 0 HA PRO A 9 -11.089 2.643 -13.644 1.00 1.00 H new ATOM 0 HB2 PRO A 9 -9.330 4.531 -12.619 1.00 1.00 H new ATOM 0 HB3 PRO A 9 -10.550 5.006 -13.783 1.00 1.00 H new ATOM 0 HG2 PRO A 9 -10.579 5.310 -10.779 1.00 1.00 H new ATOM 0 HG3 PRO A 9 -11.111 6.446 -12.002 1.00 1.00 H new ATOM 0 HD2 PRO A 9 -12.886 4.840 -10.600 1.00 1.00 H new ATOM 0 HD3 PRO A 9 -13.232 5.426 -12.214 1.00 1.00 H new ATOM 137 N THR A 10 -9.453 1.362 -12.402 1.00 1.00 N ATOM 138 CA THR A 10 -8.587 0.420 -11.663 1.00 1.00 C ATOM 139 C THR A 10 -7.119 0.740 -11.931 1.00 1.00 C ATOM 140 O THR A 10 -6.530 0.285 -12.911 1.00 1.00 O ATOM 141 CB THR A 10 -8.881 -1.019 -12.101 1.00 1.00 C ATOM 142 OG1 THR A 10 -10.266 -1.284 -11.926 1.00 1.00 O ATOM 143 CG2 THR A 10 -8.055 -2.000 -11.252 1.00 1.00 C ATOM 0 H THR A 10 -9.398 1.271 -13.416 1.00 1.00 H new ATOM 0 HA THR A 10 -8.791 0.522 -10.597 1.00 1.00 H new ATOM 0 HB THR A 10 -8.613 -1.144 -13.150 1.00 1.00 H new ATOM 0 HG1 THR A 10 -10.461 -2.203 -12.206 1.00 1.00 H new ATOM 0 HG21 THR A 10 -8.267 -3.022 -11.567 1.00 1.00 H new ATOM 0 HG22 THR A 10 -6.993 -1.792 -11.386 1.00 1.00 H new ATOM 0 HG23 THR A 10 -8.318 -1.882 -10.201 1.00 1.00 H new ATOM 151 N LEU A 11 -6.521 1.527 -11.042 1.00 1.00 N ATOM 152 CA LEU A 11 -5.108 1.923 -11.182 1.00 1.00 C ATOM 153 C LEU A 11 -4.260 1.242 -10.122 1.00 1.00 C ATOM 154 O LEU A 11 -4.681 1.046 -8.982 1.00 1.00 O ATOM 155 CB LEU A 11 -4.986 3.448 -11.052 1.00 1.00 C ATOM 156 CG LEU A 11 -5.931 4.144 -12.058 1.00 1.00 C ATOM 157 CD1 LEU A 11 -5.847 5.664 -11.858 1.00 1.00 C ATOM 158 CD2 LEU A 11 -5.552 3.787 -13.520 1.00 1.00 C ATOM 0 H LEU A 11 -6.984 1.907 -10.216 1.00 1.00 H new ATOM 0 HA LEU A 11 -4.749 1.614 -12.164 1.00 1.00 H new ATOM 0 HB2 LEU A 11 -5.234 3.755 -10.036 1.00 1.00 H new ATOM 0 HB3 LEU A 11 -3.956 3.755 -11.236 1.00 1.00 H new ATOM 0 HG LEU A 11 -6.949 3.798 -11.878 1.00 1.00 H new ATOM 0 HD11 LEU A 11 -6.511 6.161 -12.565 1.00 1.00 H new ATOM 0 HD12 LEU A 11 -6.147 5.914 -10.840 1.00 1.00 H new ATOM 0 HD13 LEU A 11 -4.823 5.997 -12.027 1.00 1.00 H new ATOM 0 HD21 LEU A 11 -6.233 4.290 -14.206 1.00 1.00 H new ATOM 0 HD22 LEU A 11 -4.531 4.111 -13.720 1.00 1.00 H new ATOM 0 HD23 LEU A 11 -5.625 2.709 -13.662 1.00 1.00 H new ATOM 170 N THR A 12 -3.043 0.868 -10.503 1.00 1.00 N ATOM 171 CA THR A 12 -2.114 0.188 -9.590 1.00 1.00 C ATOM 172 C THR A 12 -1.058 1.158 -9.063 1.00 1.00 C ATOM 173 O THR A 12 -0.466 1.929 -9.820 1.00 1.00 O ATOM 174 CB THR A 12 -1.435 -0.978 -10.313 1.00 1.00 C ATOM 175 OG1 THR A 12 -0.517 -1.594 -9.431 1.00 1.00 O ATOM 176 CG2 THR A 12 -0.696 -0.480 -11.557 1.00 1.00 C ATOM 0 H THR A 12 -2.671 1.022 -11.440 1.00 1.00 H new ATOM 0 HA THR A 12 -2.683 -0.193 -8.742 1.00 1.00 H new ATOM 0 HB THR A 12 -2.194 -1.696 -10.625 1.00 1.00 H new ATOM 0 HG1 THR A 12 0.296 -1.836 -9.922 1.00 1.00 H new ATOM 0 HG21 THR A 12 -0.219 -1.322 -12.059 1.00 1.00 H new ATOM 0 HG22 THR A 12 -1.405 -0.007 -12.236 1.00 1.00 H new ATOM 0 HG23 THR A 12 0.063 0.245 -11.263 1.00 1.00 H new ATOM 184 N LEU A 13 -0.837 1.117 -7.753 1.00 1.00 N ATOM 185 CA LEU A 13 0.144 1.993 -7.093 1.00 1.00 C ATOM 186 C LEU A 13 1.357 1.187 -6.637 1.00 1.00 C ATOM 187 O LEU A 13 1.238 0.068 -6.140 1.00 1.00 O ATOM 188 CB LEU A 13 -0.502 2.688 -5.881 1.00 1.00 C ATOM 189 CG LEU A 13 -1.850 3.366 -6.273 1.00 1.00 C ATOM 190 CD1 LEU A 13 -1.666 4.286 -7.503 1.00 1.00 C ATOM 191 CD2 LEU A 13 -2.970 2.316 -6.551 1.00 1.00 C ATOM 0 H LEU A 13 -1.324 0.485 -7.118 1.00 1.00 H new ATOM 0 HA LEU A 13 0.471 2.747 -7.809 1.00 1.00 H new ATOM 0 HB2 LEU A 13 -0.675 1.959 -5.090 1.00 1.00 H new ATOM 0 HB3 LEU A 13 0.182 3.436 -5.480 1.00 1.00 H new ATOM 0 HG LEU A 13 -2.163 3.971 -5.422 1.00 1.00 H new ATOM 0 HD11 LEU A 13 -2.620 4.748 -7.758 1.00 1.00 H new ATOM 0 HD12 LEU A 13 -0.937 5.063 -7.271 1.00 1.00 H new ATOM 0 HD13 LEU A 13 -1.311 3.697 -8.348 1.00 1.00 H new ATOM 0 HD21 LEU A 13 -3.892 2.831 -6.821 1.00 1.00 H new ATOM 0 HD22 LEU A 13 -2.664 1.666 -7.371 1.00 1.00 H new ATOM 0 HD23 LEU A 13 -3.137 1.717 -5.656 1.00 1.00 H new ATOM 203 N SER A 14 2.539 1.771 -6.806 1.00 1.00 N ATOM 204 CA SER A 14 3.778 1.114 -6.413 1.00 1.00 C ATOM 205 C SER A 14 3.920 1.142 -4.902 1.00 1.00 C ATOM 206 O SER A 14 4.147 2.195 -4.306 1.00 1.00 O ATOM 207 CB SER A 14 4.963 1.829 -7.051 1.00 1.00 C ATOM 208 OG SER A 14 4.791 1.851 -8.463 1.00 1.00 O ATOM 0 H SER A 14 2.664 2.698 -7.213 1.00 1.00 H new ATOM 0 HA SER A 14 3.755 0.078 -6.752 1.00 1.00 H new ATOM 0 HB2 SER A 14 5.040 2.846 -6.666 1.00 1.00 H new ATOM 0 HB3 SER A 14 5.892 1.320 -6.794 1.00 1.00 H new ATOM 0 HG SER A 14 5.550 2.312 -8.878 1.00 1.00 H new ATOM 214 N LEU A 15 3.786 -0.021 -4.272 1.00 1.00 N ATOM 215 CA LEU A 15 3.883 -0.113 -2.822 1.00 1.00 C ATOM 216 C LEU A 15 5.315 0.141 -2.355 1.00 1.00 C ATOM 217 O LEU A 15 6.201 -0.699 -2.516 1.00 1.00 O ATOM 218 CB LEU A 15 3.439 -1.515 -2.381 1.00 1.00 C ATOM 219 CG LEU A 15 3.359 -1.616 -0.838 1.00 1.00 C ATOM 220 CD1 LEU A 15 2.277 -0.666 -0.258 1.00 1.00 C ATOM 221 CD2 LEU A 15 3.041 -3.074 -0.459 1.00 1.00 C ATOM 0 H LEU A 15 3.611 -0.909 -4.742 1.00 1.00 H new ATOM 0 HA LEU A 15 3.239 0.644 -2.376 1.00 1.00 H new ATOM 0 HB2 LEU A 15 2.465 -1.744 -2.814 1.00 1.00 H new ATOM 0 HB3 LEU A 15 4.140 -2.258 -2.761 1.00 1.00 H new ATOM 0 HG LEU A 15 4.317 -1.313 -0.415 1.00 1.00 H new ATOM 0 HD11 LEU A 15 2.250 -0.765 0.827 1.00 1.00 H new ATOM 0 HD12 LEU A 15 2.517 0.364 -0.523 1.00 1.00 H new ATOM 0 HD13 LEU A 15 1.303 -0.929 -0.670 1.00 1.00 H new ATOM 0 HD21 LEU A 15 2.981 -3.163 0.626 1.00 1.00 H new ATOM 0 HD22 LEU A 15 2.088 -3.365 -0.900 1.00 1.00 H new ATOM 0 HD23 LEU A 15 3.829 -3.727 -0.834 1.00 1.00 H new ATOM 233 N ILE A 16 5.542 1.311 -1.767 1.00 1.00 N ATOM 234 CA ILE A 16 6.872 1.694 -1.257 1.00 1.00 C ATOM 235 C ILE A 16 6.874 1.749 0.274 1.00 1.00 C ATOM 236 O ILE A 16 5.911 2.178 0.909 1.00 1.00 O ATOM 237 CB ILE A 16 7.286 3.055 -1.846 1.00 1.00 C ATOM 238 CG1 ILE A 16 6.231 4.136 -1.521 1.00 1.00 C ATOM 239 CG2 ILE A 16 7.427 2.922 -3.371 1.00 1.00 C ATOM 240 CD1 ILE A 16 6.752 5.513 -1.953 1.00 1.00 C ATOM 0 H ILE A 16 4.823 2.021 -1.627 1.00 1.00 H new ATOM 0 HA ILE A 16 7.594 0.939 -1.567 1.00 1.00 H new ATOM 0 HB ILE A 16 8.237 3.354 -1.405 1.00 1.00 H new ATOM 0 HG12 ILE A 16 5.296 3.912 -2.035 1.00 1.00 H new ATOM 0 HG13 ILE A 16 6.014 4.137 -0.453 1.00 1.00 H new ATOM 0 HG21 ILE A 16 7.720 3.883 -3.794 1.00 1.00 H new ATOM 0 HG22 ILE A 16 8.188 2.176 -3.602 1.00 1.00 H new ATOM 0 HG23 ILE A 16 6.473 2.613 -3.799 1.00 1.00 H new ATOM 0 HD11 ILE A 16 6.006 6.273 -1.722 1.00 1.00 H new ATOM 0 HD12 ILE A 16 7.675 5.737 -1.418 1.00 1.00 H new ATOM 0 HD13 ILE A 16 6.946 5.509 -3.026 1.00 1.00 H new ATOM 252 N ALA A 17 7.976 1.317 0.878 1.00 1.00 N ATOM 253 CA ALA A 17 8.107 1.311 2.344 1.00 1.00 C ATOM 254 C ALA A 17 8.571 2.669 2.858 1.00 1.00 C ATOM 255 O ALA A 17 9.579 3.209 2.402 1.00 1.00 O ATOM 256 CB ALA A 17 9.121 0.247 2.766 1.00 1.00 C ATOM 0 H ALA A 17 8.795 0.965 0.382 1.00 1.00 H new ATOM 0 HA ALA A 17 7.129 1.089 2.770 1.00 1.00 H new ATOM 0 HB1 ALA A 17 9.216 0.245 3.852 1.00 1.00 H new ATOM 0 HB2 ALA A 17 8.782 -0.733 2.430 1.00 1.00 H new ATOM 0 HB3 ALA A 17 10.089 0.469 2.318 1.00 1.00 H new ATOM 262 N LYS A 18 7.833 3.226 3.813 1.00 1.00 N ATOM 263 CA LYS A 18 8.180 4.541 4.389 1.00 1.00 C ATOM 264 C LYS A 18 8.528 4.394 5.858 1.00 1.00 C ATOM 265 O LYS A 18 8.199 3.390 6.489 1.00 1.00 O ATOM 266 CB LYS A 18 6.997 5.508 4.217 1.00 1.00 C ATOM 267 CG LYS A 18 7.358 6.953 4.646 1.00 1.00 C ATOM 268 CD LYS A 18 8.541 7.503 3.804 1.00 1.00 C ATOM 269 CE LYS A 18 8.577 9.024 3.850 1.00 1.00 C ATOM 270 NZ LYS A 18 9.809 9.488 3.156 1.00 1.00 N ATOM 0 H LYS A 18 6.995 2.799 4.209 1.00 1.00 H new ATOM 0 HA LYS A 18 9.048 4.942 3.866 1.00 1.00 H new ATOM 0 HB2 LYS A 18 6.679 5.509 3.175 1.00 1.00 H new ATOM 0 HB3 LYS A 18 6.152 5.155 4.808 1.00 1.00 H new ATOM 0 HG2 LYS A 18 6.489 7.600 4.525 1.00 1.00 H new ATOM 0 HG3 LYS A 18 7.622 6.967 5.704 1.00 1.00 H new ATOM 0 HD2 LYS A 18 9.481 7.101 4.183 1.00 1.00 H new ATOM 0 HD3 LYS A 18 8.445 7.168 2.771 1.00 1.00 H new ATOM 0 HE2 LYS A 18 7.692 9.439 3.368 1.00 1.00 H new ATOM 0 HE3 LYS A 18 8.570 9.372 4.883 1.00 1.00 H new ATOM 0 HZ1 LYS A 18 9.850 10.527 3.178 1.00 1.00 H new ATOM 0 HZ2 LYS A 18 10.645 9.099 3.636 1.00 1.00 H new ATOM 0 HZ3 LYS A 18 9.794 9.163 2.168 1.00 1.00 H new ATOM 284 N ASN A 19 9.202 5.395 6.415 1.00 1.00 N ATOM 285 CA ASN A 19 9.597 5.374 7.811 1.00 1.00 C ATOM 286 C ASN A 19 10.449 4.144 8.091 1.00 1.00 C ATOM 287 O ASN A 19 10.382 3.565 9.174 1.00 1.00 O ATOM 288 CB ASN A 19 8.352 5.378 8.713 1.00 1.00 C ATOM 289 CG ASN A 19 7.436 6.544 8.339 1.00 1.00 C ATOM 290 OD1 ASN A 19 6.253 6.341 8.061 1.00 1.00 O ATOM 291 ND2 ASN A 19 7.913 7.760 8.319 1.00 1.00 N ATOM 0 H ASN A 19 9.486 6.236 5.912 1.00 1.00 H new ATOM 0 HA ASN A 19 10.186 6.266 8.027 1.00 1.00 H new ATOM 0 HB2 ASN A 19 7.815 4.435 8.609 1.00 1.00 H new ATOM 0 HB3 ASN A 19 8.651 5.461 9.758 1.00 1.00 H new ATOM 0 HD21 ASN A 19 7.306 8.542 8.073 1.00 1.00 H new ATOM 0 HD22 ASN A 19 8.892 7.927 8.549 1.00 1.00 H new ATOM 298 N THR A 20 11.255 3.746 7.113 1.00 1.00 N ATOM 299 CA THR A 20 12.113 2.575 7.251 1.00 1.00 C ATOM 300 C THR A 20 13.109 2.736 8.424 1.00 1.00 C ATOM 301 O THR A 20 13.991 3.591 8.347 1.00 1.00 O ATOM 302 CB THR A 20 12.894 2.350 5.949 1.00 1.00 C ATOM 303 OG1 THR A 20 11.969 2.260 4.876 1.00 1.00 O ATOM 304 CG2 THR A 20 13.695 1.040 6.046 1.00 1.00 C ATOM 0 H THR A 20 11.332 4.219 6.213 1.00 1.00 H new ATOM 0 HA THR A 20 11.476 1.716 7.460 1.00 1.00 H new ATOM 0 HB THR A 20 13.583 3.178 5.782 1.00 1.00 H new ATOM 0 HG1 THR A 20 12.454 2.118 4.037 1.00 1.00 H new ATOM 0 HG21 THR A 20 14.249 0.883 5.120 1.00 1.00 H new ATOM 0 HG22 THR A 20 14.393 1.102 6.881 1.00 1.00 H new ATOM 0 HG23 THR A 20 13.011 0.206 6.206 1.00 1.00 H new ATOM 312 N PRO A 21 13.016 1.947 9.459 1.00 1.00 N ATOM 313 CA PRO A 21 13.973 2.046 10.609 1.00 1.00 C ATOM 314 C PRO A 21 15.436 2.008 10.145 1.00 1.00 C ATOM 315 O PRO A 21 15.768 1.383 9.138 1.00 1.00 O ATOM 316 CB PRO A 21 13.639 0.808 11.484 1.00 1.00 C ATOM 317 CG PRO A 21 12.220 0.450 11.137 1.00 1.00 C ATOM 318 CD PRO A 21 12.012 0.884 9.681 1.00 1.00 C ATOM 0 HA PRO A 21 13.867 2.989 11.146 1.00 1.00 H new ATOM 0 HB2 PRO A 21 14.317 -0.019 11.271 1.00 1.00 H new ATOM 0 HB3 PRO A 21 13.739 1.037 12.545 1.00 1.00 H new ATOM 0 HG2 PRO A 21 12.050 -0.620 11.252 1.00 1.00 H new ATOM 0 HG3 PRO A 21 11.518 0.958 11.798 1.00 1.00 H new ATOM 0 HD2 PRO A 21 12.159 0.050 8.994 1.00 1.00 H new ATOM 0 HD3 PRO A 21 11.000 1.255 9.519 1.00 1.00 H new ATOM 326 N ALA A 22 16.319 2.670 10.886 1.00 1.00 N ATOM 327 CA ALA A 22 17.744 2.714 10.556 1.00 1.00 C ATOM 328 C ALA A 22 18.435 1.390 10.890 1.00 1.00 C ATOM 329 O ALA A 22 18.110 0.711 11.865 1.00 1.00 O ATOM 330 CB ALA A 22 18.414 3.845 11.335 1.00 1.00 C ATOM 0 H ALA A 22 16.071 3.189 11.728 1.00 1.00 H new ATOM 0 HA ALA A 22 17.838 2.888 9.484 1.00 1.00 H new ATOM 0 HB1 ALA A 22 19.475 3.877 11.089 1.00 1.00 H new ATOM 0 HB2 ALA A 22 17.951 4.795 11.068 1.00 1.00 H new ATOM 0 HB3 ALA A 22 18.295 3.671 12.404 1.00 1.00 H new ATOM 336 N ASN A 23 19.410 1.020 10.068 1.00 1.00 N ATOM 337 CA ASN A 23 20.175 -0.219 10.263 1.00 1.00 C ATOM 338 C ASN A 23 19.278 -1.446 10.124 1.00 1.00 C ATOM 339 O ASN A 23 19.626 -2.541 10.568 1.00 1.00 O ATOM 340 CB ASN A 23 20.842 -0.232 11.653 1.00 1.00 C ATOM 341 CG ASN A 23 21.577 1.080 11.892 1.00 1.00 C ATOM 342 OD1 ASN A 23 22.467 1.444 11.123 1.00 1.00 O ATOM 343 ND2 ASN A 23 21.253 1.818 12.920 1.00 1.00 N ATOM 0 H ASN A 23 19.696 1.561 9.252 1.00 1.00 H new ATOM 0 HA ASN A 23 20.944 -0.254 9.492 1.00 1.00 H new ATOM 0 HB2 ASN A 23 20.088 -0.381 12.426 1.00 1.00 H new ATOM 0 HB3 ASN A 23 21.540 -1.067 11.723 1.00 1.00 H new ATOM 0 HD21 ASN A 23 21.738 2.699 13.088 1.00 1.00 H new ATOM 0 HD22 ASN A 23 20.515 1.513 13.555 1.00 1.00 H new ATOM 350 N SER A 24 18.118 -1.268 9.501 1.00 1.00 N ATOM 351 CA SER A 24 17.158 -2.367 9.295 1.00 1.00 C ATOM 352 C SER A 24 17.077 -2.740 7.822 1.00 1.00 C ATOM 353 O SER A 24 17.222 -1.905 6.930 1.00 1.00 O ATOM 354 CB SER A 24 15.774 -1.949 9.790 1.00 1.00 C ATOM 355 OG SER A 24 14.825 -2.926 9.407 1.00 1.00 O ATOM 0 H SER A 24 17.811 -0.371 9.125 1.00 1.00 H new ATOM 0 HA SER A 24 17.502 -3.234 9.860 1.00 1.00 H new ATOM 0 HB2 SER A 24 15.781 -1.838 10.874 1.00 1.00 H new ATOM 0 HB3 SER A 24 15.503 -0.979 9.372 1.00 1.00 H new ATOM 0 HG SER A 24 14.238 -2.558 8.714 1.00 1.00 H new ATOM 361 N MET A 25 16.843 -4.023 7.566 1.00 1.00 N ATOM 362 CA MET A 25 16.739 -4.530 6.190 1.00 1.00 C ATOM 363 C MET A 25 15.603 -5.541 6.092 1.00 1.00 C ATOM 364 O MET A 25 15.634 -6.607 6.708 1.00 1.00 O ATOM 365 CB MET A 25 18.064 -5.182 5.779 1.00 1.00 C ATOM 366 CG MET A 25 17.996 -5.628 4.313 1.00 1.00 C ATOM 367 SD MET A 25 19.622 -6.239 3.787 1.00 1.00 S ATOM 368 CE MET A 25 19.717 -7.703 4.852 1.00 1.00 C ATOM 0 H MET A 25 16.721 -4.734 8.287 1.00 1.00 H new ATOM 0 HA MET A 25 16.527 -3.700 5.516 1.00 1.00 H new ATOM 0 HB2 MET A 25 18.884 -4.477 5.916 1.00 1.00 H new ATOM 0 HB3 MET A 25 18.271 -6.039 6.419 1.00 1.00 H new ATOM 0 HG2 MET A 25 17.246 -6.411 4.195 1.00 1.00 H new ATOM 0 HG3 MET A 25 17.688 -4.794 3.682 1.00 1.00 H new ATOM 0 HE1 MET A 25 20.397 -8.431 4.410 1.00 1.00 H new ATOM 0 HE2 MET A 25 20.086 -7.414 5.836 1.00 1.00 H new ATOM 0 HE3 MET A 25 18.726 -8.145 4.952 1.00 1.00 H new ATOM 378 N ILE A 26 14.589 -5.203 5.303 1.00 1.00 N ATOM 379 CA ILE A 26 13.431 -6.068 5.129 1.00 1.00 C ATOM 380 C ILE A 26 13.811 -7.320 4.339 1.00 1.00 C ATOM 381 O ILE A 26 14.698 -7.308 3.485 1.00 1.00 O ATOM 382 CB ILE A 26 12.320 -5.312 4.376 1.00 1.00 C ATOM 383 CG1 ILE A 26 12.010 -3.985 5.101 1.00 1.00 C ATOM 384 CG2 ILE A 26 11.042 -6.177 4.337 1.00 1.00 C ATOM 385 CD1 ILE A 26 11.077 -3.129 4.243 1.00 1.00 C ATOM 0 H ILE A 26 14.547 -4.333 4.773 1.00 1.00 H new ATOM 0 HA ILE A 26 13.072 -6.364 6.115 1.00 1.00 H new ATOM 0 HB ILE A 26 12.655 -5.104 3.360 1.00 1.00 H new ATOM 0 HG12 ILE A 26 11.547 -4.188 6.067 1.00 1.00 H new ATOM 0 HG13 ILE A 26 12.935 -3.444 5.299 1.00 1.00 H new ATOM 0 HG21 ILE A 26 10.256 -5.641 3.804 1.00 1.00 H new ATOM 0 HG22 ILE A 26 11.253 -7.115 3.825 1.00 1.00 H new ATOM 0 HG23 ILE A 26 10.713 -6.386 5.355 1.00 1.00 H new ATOM 0 HD11 ILE A 26 10.862 -2.194 4.761 1.00 1.00 H new ATOM 0 HD12 ILE A 26 11.556 -2.913 3.288 1.00 1.00 H new ATOM 0 HD13 ILE A 26 10.146 -3.669 4.068 1.00 1.00 H new ATOM 397 N MET A 27 13.117 -8.415 4.632 1.00 1.00 N ATOM 398 CA MET A 27 13.356 -9.699 3.945 1.00 1.00 C ATOM 399 C MET A 27 12.090 -10.131 3.215 1.00 1.00 C ATOM 400 O MET A 27 11.483 -11.157 3.522 1.00 1.00 O ATOM 401 CB MET A 27 13.771 -10.773 4.962 1.00 1.00 C ATOM 402 CG MET A 27 14.288 -12.028 4.238 1.00 1.00 C ATOM 403 SD MET A 27 15.914 -11.662 3.511 1.00 1.00 S ATOM 404 CE MET A 27 16.727 -13.230 3.891 1.00 1.00 C ATOM 0 H MET A 27 12.383 -8.449 5.339 1.00 1.00 H new ATOM 0 HA MET A 27 14.162 -9.574 3.222 1.00 1.00 H new ATOM 0 HB2 MET A 27 14.546 -10.380 5.619 1.00 1.00 H new ATOM 0 HB3 MET A 27 12.921 -11.034 5.592 1.00 1.00 H new ATOM 0 HG2 MET A 27 14.367 -12.861 4.937 1.00 1.00 H new ATOM 0 HG3 MET A 27 13.587 -12.330 3.460 1.00 1.00 H new ATOM 0 HE1 MET A 27 17.752 -13.207 3.521 1.00 1.00 H new ATOM 0 HE2 MET A 27 16.734 -13.384 4.970 1.00 1.00 H new ATOM 0 HE3 MET A 27 16.186 -14.046 3.411 1.00 1.00 H new ATOM 414 N THR A 28 11.684 -9.334 2.233 1.00 1.00 N ATOM 415 CA THR A 28 10.485 -9.619 1.441 1.00 1.00 C ATOM 416 C THR A 28 10.326 -8.541 0.368 1.00 1.00 C ATOM 417 O THR A 28 10.659 -7.376 0.582 1.00 1.00 O ATOM 418 CB THR A 28 9.215 -9.643 2.337 1.00 1.00 C ATOM 419 OG1 THR A 28 9.259 -10.750 3.223 1.00 1.00 O ATOM 420 CG2 THR A 28 7.941 -9.769 1.482 1.00 1.00 C ATOM 0 H THR A 28 12.169 -8.479 1.962 1.00 1.00 H new ATOM 0 HA THR A 28 10.599 -10.600 0.980 1.00 1.00 H new ATOM 0 HB THR A 28 9.192 -8.708 2.897 1.00 1.00 H new ATOM 0 HG1 THR A 28 10.038 -11.306 3.013 1.00 1.00 H new ATOM 0 HG21 THR A 28 7.066 -9.784 2.132 1.00 1.00 H new ATOM 0 HG22 THR A 28 7.874 -8.920 0.802 1.00 1.00 H new ATOM 0 HG23 THR A 28 7.980 -10.693 0.905 1.00 1.00 H new ATOM 428 N LYS A 29 9.801 -8.906 -0.797 1.00 1.00 N ATOM 429 CA LYS A 29 9.599 -7.945 -1.887 1.00 1.00 C ATOM 430 C LYS A 29 8.272 -7.218 -1.716 1.00 1.00 C ATOM 431 O LYS A 29 7.322 -7.749 -1.139 1.00 1.00 O ATOM 432 CB LYS A 29 9.641 -8.666 -3.239 1.00 1.00 C ATOM 433 CG LYS A 29 8.538 -9.730 -3.316 1.00 1.00 C ATOM 434 CD LYS A 29 8.685 -10.512 -4.624 1.00 1.00 C ATOM 435 CE LYS A 29 7.545 -11.526 -4.747 1.00 1.00 C ATOM 436 NZ LYS A 29 7.565 -12.441 -3.572 1.00 1.00 N ATOM 0 H LYS A 29 9.507 -9.858 -1.015 1.00 1.00 H new ATOM 0 HA LYS A 29 10.402 -7.208 -1.857 1.00 1.00 H new ATOM 0 HB2 LYS A 29 9.515 -7.945 -4.046 1.00 1.00 H new ATOM 0 HB3 LYS A 29 10.616 -9.134 -3.378 1.00 1.00 H new ATOM 0 HG2 LYS A 29 8.608 -10.406 -2.464 1.00 1.00 H new ATOM 0 HG3 LYS A 29 7.557 -9.258 -3.269 1.00 1.00 H new ATOM 0 HD2 LYS A 29 8.670 -9.828 -5.472 1.00 1.00 H new ATOM 0 HD3 LYS A 29 9.646 -11.026 -4.646 1.00 1.00 H new ATOM 0 HE2 LYS A 29 6.588 -11.008 -4.802 1.00 1.00 H new ATOM 0 HE3 LYS A 29 7.651 -12.098 -5.669 1.00 1.00 H new ATOM 0 HZ1 LYS A 29 7.013 -13.295 -3.788 1.00 1.00 H new ATOM 0 HZ2 LYS A 29 8.547 -12.709 -3.357 1.00 1.00 H new ATOM 0 HZ3 LYS A 29 7.150 -11.959 -2.749 1.00 1.00 H new ATOM 450 N LEU A 30 8.212 -5.989 -2.218 1.00 1.00 N ATOM 451 CA LEU A 30 6.985 -5.166 -2.098 1.00 1.00 C ATOM 452 C LEU A 30 6.194 -5.107 -3.434 1.00 1.00 C ATOM 453 O LEU A 30 6.612 -4.392 -4.344 1.00 1.00 O ATOM 454 CB LEU A 30 7.379 -3.736 -1.637 1.00 1.00 C ATOM 455 CG LEU A 30 7.162 -3.585 -0.113 1.00 1.00 C ATOM 456 CD1 LEU A 30 8.144 -4.488 0.644 1.00 1.00 C ATOM 457 CD2 LEU A 30 7.387 -2.141 0.295 1.00 1.00 C ATOM 0 H LEU A 30 8.982 -5.533 -2.708 1.00 1.00 H new ATOM 0 HA LEU A 30 6.329 -5.628 -1.360 1.00 1.00 H new ATOM 0 HB2 LEU A 30 8.423 -3.542 -1.884 1.00 1.00 H new ATOM 0 HB3 LEU A 30 6.782 -2.997 -2.171 1.00 1.00 H new ATOM 0 HG LEU A 30 6.141 -3.877 0.132 1.00 1.00 H new ATOM 0 HD11 LEU A 30 7.987 -4.378 1.717 1.00 1.00 H new ATOM 0 HD12 LEU A 30 7.978 -5.527 0.358 1.00 1.00 H new ATOM 0 HD13 LEU A 30 9.166 -4.202 0.396 1.00 1.00 H new ATOM 0 HD21 LEU A 30 7.233 -2.038 1.369 1.00 1.00 H new ATOM 0 HD22 LEU A 30 8.406 -1.847 0.044 1.00 1.00 H new ATOM 0 HD23 LEU A 30 6.683 -1.499 -0.235 1.00 1.00 H new ATOM 469 N PRO A 31 5.094 -5.800 -3.546 1.00 1.00 N ATOM 470 CA PRO A 31 4.264 -5.790 -4.791 1.00 1.00 C ATOM 471 C PRO A 31 3.229 -4.655 -4.804 1.00 1.00 C ATOM 472 O PRO A 31 2.748 -4.199 -3.767 1.00 1.00 O ATOM 473 CB PRO A 31 3.587 -7.169 -4.742 1.00 1.00 C ATOM 474 CG PRO A 31 3.327 -7.394 -3.276 1.00 1.00 C ATOM 475 CD PRO A 31 4.473 -6.684 -2.523 1.00 1.00 C ATOM 0 HA PRO A 31 4.853 -5.616 -5.692 1.00 1.00 H new ATOM 0 HB2 PRO A 31 2.662 -7.180 -5.318 1.00 1.00 H new ATOM 0 HB3 PRO A 31 4.230 -7.945 -5.157 1.00 1.00 H new ATOM 0 HG2 PRO A 31 2.359 -6.987 -2.985 1.00 1.00 H new ATOM 0 HG3 PRO A 31 3.308 -8.459 -3.043 1.00 1.00 H new ATOM 0 HD2 PRO A 31 4.097 -6.109 -1.677 1.00 1.00 H new ATOM 0 HD3 PRO A 31 5.193 -7.401 -2.127 1.00 1.00 H new ATOM 483 N SER A 32 2.867 -4.201 -5.999 1.00 1.00 N ATOM 484 CA SER A 32 1.887 -3.126 -6.151 1.00 1.00 C ATOM 485 C SER A 32 0.546 -3.508 -5.524 1.00 1.00 C ATOM 486 O SER A 32 0.398 -4.592 -4.959 1.00 1.00 O ATOM 487 CB SER A 32 1.678 -2.824 -7.634 1.00 1.00 C ATOM 488 OG SER A 32 0.963 -3.898 -8.232 1.00 1.00 O ATOM 0 H SER A 32 3.237 -4.560 -6.879 1.00 1.00 H new ATOM 0 HA SER A 32 2.272 -2.244 -5.639 1.00 1.00 H new ATOM 0 HB2 SER A 32 1.126 -1.892 -7.754 1.00 1.00 H new ATOM 0 HB3 SER A 32 2.640 -2.690 -8.130 1.00 1.00 H new ATOM 0 HG SER A 32 0.256 -3.540 -8.809 1.00 1.00 H new ATOM 494 N VAL A 33 -0.425 -2.607 -5.624 1.00 1.00 N ATOM 495 CA VAL A 33 -1.770 -2.842 -5.059 1.00 1.00 C ATOM 496 C VAL A 33 -2.859 -2.332 -6.002 1.00 1.00 C ATOM 497 O VAL A 33 -2.695 -1.316 -6.677 1.00 1.00 O ATOM 498 CB VAL A 33 -1.897 -2.132 -3.698 1.00 1.00 C ATOM 499 CG1 VAL A 33 -1.788 -0.606 -3.873 1.00 1.00 C ATOM 500 CG2 VAL A 33 -3.248 -2.477 -3.054 1.00 1.00 C ATOM 0 H VAL A 33 -0.317 -1.705 -6.088 1.00 1.00 H new ATOM 0 HA VAL A 33 -1.900 -3.916 -4.928 1.00 1.00 H new ATOM 0 HB VAL A 33 -1.087 -2.473 -3.053 1.00 1.00 H new ATOM 0 HG11 VAL A 33 -1.880 -0.121 -2.901 1.00 1.00 H new ATOM 0 HG12 VAL A 33 -0.822 -0.358 -4.312 1.00 1.00 H new ATOM 0 HG13 VAL A 33 -2.585 -0.257 -4.530 1.00 1.00 H new ATOM 0 HG21 VAL A 33 -3.332 -1.972 -2.092 1.00 1.00 H new ATOM 0 HG22 VAL A 33 -4.057 -2.150 -3.707 1.00 1.00 H new ATOM 0 HG23 VAL A 33 -3.316 -3.555 -2.905 1.00 1.00 H new ATOM 510 N ARG A 34 -3.983 -3.041 -6.038 1.00 1.00 N ATOM 511 CA ARG A 34 -5.120 -2.653 -6.893 1.00 1.00 C ATOM 512 C ARG A 34 -6.163 -1.937 -6.051 1.00 1.00 C ATOM 513 O ARG A 34 -6.629 -2.457 -5.036 1.00 1.00 O ATOM 514 CB ARG A 34 -5.745 -3.904 -7.519 1.00 1.00 C ATOM 515 CG ARG A 34 -4.738 -4.561 -8.461 1.00 1.00 C ATOM 516 CD ARG A 34 -5.352 -5.826 -9.061 1.00 1.00 C ATOM 517 NE ARG A 34 -4.381 -6.476 -9.942 1.00 1.00 N ATOM 518 CZ ARG A 34 -3.380 -7.210 -9.454 1.00 1.00 C ATOM 519 NH1 ARG A 34 -3.253 -7.361 -8.162 1.00 1.00 N ATOM 520 NH2 ARG A 34 -2.524 -7.773 -10.265 1.00 1.00 N ATOM 0 H ARG A 34 -4.139 -3.887 -5.490 1.00 1.00 H new ATOM 0 HA ARG A 34 -4.768 -1.990 -7.683 1.00 1.00 H new ATOM 0 HB2 ARG A 34 -6.040 -4.605 -6.738 1.00 1.00 H new ATOM 0 HB3 ARG A 34 -6.649 -3.637 -8.066 1.00 1.00 H new ATOM 0 HG2 ARG A 34 -4.460 -3.867 -9.254 1.00 1.00 H new ATOM 0 HG3 ARG A 34 -3.825 -4.809 -7.919 1.00 1.00 H new ATOM 0 HD2 ARG A 34 -5.650 -6.509 -8.266 1.00 1.00 H new ATOM 0 HD3 ARG A 34 -6.253 -5.574 -9.620 1.00 1.00 H new ATOM 0 HE ARG A 34 -4.472 -6.365 -10.952 1.00 1.00 H new ATOM 0 HH11 ARG A 34 -3.919 -6.918 -7.529 1.00 1.00 H new ATOM 0 HH12 ARG A 34 -2.488 -7.922 -7.787 1.00 1.00 H new ATOM 0 HH21 ARG A 34 -2.621 -7.651 -11.273 1.00 1.00 H new ATOM 0 HH22 ARG A 34 -1.759 -8.334 -9.890 1.00 1.00 H new ATOM 534 N VAL A 35 -6.533 -0.730 -6.465 1.00 1.00 N ATOM 535 CA VAL A 35 -7.526 0.073 -5.728 1.00 1.00 C ATOM 536 C VAL A 35 -8.690 0.476 -6.631 1.00 1.00 C ATOM 537 O VAL A 35 -8.574 0.587 -7.851 1.00 1.00 O ATOM 538 CB VAL A 35 -6.852 1.337 -5.148 1.00 1.00 C ATOM 539 CG1 VAL A 35 -7.734 1.959 -4.062 1.00 1.00 C ATOM 540 CG2 VAL A 35 -5.498 0.966 -4.536 1.00 1.00 C ATOM 0 H VAL A 35 -6.167 -0.279 -7.304 1.00 1.00 H new ATOM 0 HA VAL A 35 -7.921 -0.537 -4.915 1.00 1.00 H new ATOM 0 HB VAL A 35 -6.711 2.056 -5.955 1.00 1.00 H new ATOM 0 HG11 VAL A 35 -7.247 2.848 -3.663 1.00 1.00 H new ATOM 0 HG12 VAL A 35 -8.698 2.235 -4.490 1.00 1.00 H new ATOM 0 HG13 VAL A 35 -7.886 1.237 -3.259 1.00 1.00 H new ATOM 0 HG21 VAL A 35 -5.026 1.860 -4.128 1.00 1.00 H new ATOM 0 HG22 VAL A 35 -5.646 0.238 -3.738 1.00 1.00 H new ATOM 0 HG23 VAL A 35 -4.857 0.536 -5.305 1.00 1.00 H new ATOM 550 N LYS A 36 -9.841 0.694 -6.000 1.00 1.00 N ATOM 551 CA LYS A 36 -11.064 1.091 -6.718 1.00 1.00 C ATOM 552 C LYS A 36 -11.630 2.389 -6.140 1.00 1.00 C ATOM 553 O LYS A 36 -11.671 2.594 -4.926 1.00 1.00 O ATOM 554 CB LYS A 36 -12.108 -0.018 -6.590 1.00 1.00 C ATOM 555 CG LYS A 36 -11.606 -1.289 -7.290 1.00 1.00 C ATOM 556 CD LYS A 36 -12.710 -2.358 -7.302 1.00 1.00 C ATOM 557 CE LYS A 36 -13.040 -2.832 -5.872 1.00 1.00 C ATOM 558 NZ LYS A 36 -13.772 -4.124 -5.943 1.00 1.00 N ATOM 0 H LYS A 36 -9.959 0.604 -4.991 1.00 1.00 H new ATOM 0 HA LYS A 36 -10.818 1.253 -7.767 1.00 1.00 H new ATOM 0 HB2 LYS A 36 -12.305 -0.225 -5.538 1.00 1.00 H new ATOM 0 HB3 LYS A 36 -13.050 0.304 -7.033 1.00 1.00 H new ATOM 0 HG2 LYS A 36 -11.304 -1.056 -8.311 1.00 1.00 H new ATOM 0 HG3 LYS A 36 -10.724 -1.672 -6.776 1.00 1.00 H new ATOM 0 HD2 LYS A 36 -13.607 -1.953 -7.770 1.00 1.00 H new ATOM 0 HD3 LYS A 36 -12.391 -3.208 -7.906 1.00 1.00 H new ATOM 0 HE2 LYS A 36 -12.123 -2.951 -5.295 1.00 1.00 H new ATOM 0 HE3 LYS A 36 -13.645 -2.085 -5.359 1.00 1.00 H new ATOM 0 HZ1 LYS A 36 -13.997 -4.449 -4.981 1.00 1.00 H new ATOM 0 HZ2 LYS A 36 -14.653 -3.995 -6.480 1.00 1.00 H new ATOM 0 HZ3 LYS A 36 -13.178 -4.834 -6.418 1.00 1.00 H new ATOM 572 N THR A 37 -12.071 3.273 -7.029 1.00 1.00 N ATOM 573 CA THR A 37 -12.645 4.573 -6.618 1.00 1.00 C ATOM 574 C THR A 37 -14.036 4.777 -7.211 1.00 1.00 C ATOM 575 O THR A 37 -14.249 4.586 -8.409 1.00 1.00 O ATOM 576 CB THR A 37 -11.743 5.710 -7.090 1.00 1.00 C ATOM 577 OG1 THR A 37 -11.742 5.751 -8.512 1.00 1.00 O ATOM 578 CG2 THR A 37 -10.317 5.492 -6.577 1.00 1.00 C ATOM 0 H THR A 37 -12.047 3.124 -8.038 1.00 1.00 H new ATOM 0 HA THR A 37 -12.720 4.573 -5.531 1.00 1.00 H new ATOM 0 HB THR A 37 -12.119 6.656 -6.699 1.00 1.00 H new ATOM 0 HG1 THR A 37 -11.165 6.482 -8.818 1.00 1.00 H new ATOM 0 HG21 THR A 37 -9.679 6.307 -6.918 1.00 1.00 H new ATOM 0 HG22 THR A 37 -10.322 5.467 -5.487 1.00 1.00 H new ATOM 0 HG23 THR A 37 -9.933 4.547 -6.960 1.00 1.00 H new ATOM 586 N GLU A 38 -14.982 5.179 -6.369 1.00 1.00 N ATOM 587 CA GLU A 38 -16.354 5.428 -6.823 1.00 1.00 C ATOM 588 C GLU A 38 -16.430 6.776 -7.527 1.00 1.00 C ATOM 589 O GLU A 38 -17.315 7.590 -7.263 1.00 1.00 O ATOM 590 CB GLU A 38 -17.326 5.407 -5.636 1.00 1.00 C ATOM 591 CG GLU A 38 -16.844 6.353 -4.540 1.00 1.00 C ATOM 592 CD GLU A 38 -17.829 6.327 -3.379 1.00 1.00 C ATOM 593 OE1 GLU A 38 -17.793 5.376 -2.616 1.00 1.00 O ATOM 594 OE2 GLU A 38 -18.609 7.261 -3.269 1.00 1.00 O ATOM 0 H GLU A 38 -14.830 5.340 -5.373 1.00 1.00 H new ATOM 0 HA GLU A 38 -16.637 4.640 -7.520 1.00 1.00 H new ATOM 0 HB2 GLU A 38 -18.322 5.701 -5.967 1.00 1.00 H new ATOM 0 HB3 GLU A 38 -17.407 4.394 -5.242 1.00 1.00 H new ATOM 0 HG2 GLU A 38 -15.853 6.055 -4.197 1.00 1.00 H new ATOM 0 HG3 GLU A 38 -16.754 7.366 -4.932 1.00 1.00 H new ATOM 601 N GLY A 39 -15.491 7.020 -8.435 1.00 1.00 N ATOM 602 CA GLY A 39 -15.446 8.282 -9.179 1.00 1.00 C ATOM 603 C GLY A 39 -14.854 8.066 -10.561 1.00 1.00 C ATOM 604 O GLY A 39 -14.678 6.930 -11.003 1.00 1.00 O ATOM 0 H GLY A 39 -14.749 6.363 -8.676 1.00 1.00 H new ATOM 0 HA2 GLY A 39 -16.451 8.694 -9.268 1.00 1.00 H new ATOM 0 HA3 GLY A 39 -14.850 9.012 -8.632 1.00 1.00 H new ATOM 608 N TYR A 40 -14.554 9.162 -11.251 1.00 1.00 N ATOM 609 CA TYR A 40 -13.985 9.087 -12.606 1.00 1.00 C ATOM 610 C TYR A 40 -12.942 10.187 -12.803 1.00 1.00 C ATOM 611 O TYR A 40 -13.272 11.368 -12.914 1.00 1.00 O ATOM 612 CB TYR A 40 -15.115 9.222 -13.668 1.00 1.00 C ATOM 613 CG TYR A 40 -16.426 8.712 -13.085 1.00 1.00 C ATOM 614 CD1 TYR A 40 -16.620 7.336 -12.897 1.00 1.00 C ATOM 615 CD2 TYR A 40 -17.440 9.618 -12.718 1.00 1.00 C ATOM 616 CE1 TYR A 40 -17.820 6.869 -12.348 1.00 1.00 C ATOM 617 CE2 TYR A 40 -18.635 9.144 -12.173 1.00 1.00 C ATOM 618 CZ TYR A 40 -18.825 7.772 -11.989 1.00 1.00 C ATOM 619 OH TYR A 40 -20.007 7.311 -11.450 1.00 1.00 O ATOM 0 H TYR A 40 -14.692 10.111 -10.903 1.00 1.00 H new ATOM 0 HA TYR A 40 -13.499 8.119 -12.730 1.00 1.00 H new ATOM 0 HB2 TYR A 40 -15.221 10.264 -13.971 1.00 1.00 H new ATOM 0 HB3 TYR A 40 -14.858 8.654 -14.562 1.00 1.00 H new ATOM 0 HD1 TYR A 40 -15.845 6.638 -13.175 1.00 1.00 H new ATOM 0 HD2 TYR A 40 -17.293 10.679 -12.858 1.00 1.00 H new ATOM 0 HE1 TYR A 40 -17.970 5.809 -12.202 1.00 1.00 H new ATOM 0 HE2 TYR A 40 -19.413 9.839 -11.893 1.00 1.00 H new ATOM 0 HH TYR A 40 -20.596 8.070 -11.256 1.00 1.00 H new ATOM 629 N ASN A 41 -11.674 9.795 -12.860 1.00 1.00 N ATOM 630 CA ASN A 41 -10.566 10.746 -13.059 1.00 1.00 C ATOM 631 C ASN A 41 -9.794 10.411 -14.347 1.00 1.00 C ATOM 632 O ASN A 41 -8.765 9.738 -14.290 1.00 1.00 O ATOM 633 CB ASN A 41 -9.620 10.678 -11.852 1.00 1.00 C ATOM 634 CG ASN A 41 -9.228 9.243 -11.564 1.00 1.00 C ATOM 635 OD1 ASN A 41 -9.639 8.324 -12.273 1.00 1.00 O ATOM 636 ND2 ASN A 41 -8.448 9.002 -10.551 1.00 1.00 N ATOM 0 H ASN A 41 -11.378 8.823 -12.772 1.00 1.00 H new ATOM 0 HA ASN A 41 -10.972 11.753 -13.152 1.00 1.00 H new ATOM 0 HB2 ASN A 41 -8.728 11.272 -12.048 1.00 1.00 H new ATOM 0 HB3 ASN A 41 -10.105 11.111 -10.977 1.00 1.00 H new ATOM 0 HD21 ASN A 41 -8.171 8.044 -10.337 1.00 1.00 H new ATOM 0 HD22 ASN A 41 -8.114 9.771 -9.971 1.00 1.00 H new ATOM 643 N PRO A 42 -10.242 10.871 -15.484 1.00 1.00 N ATOM 644 CA PRO A 42 -9.546 10.607 -16.785 1.00 1.00 C ATOM 645 C PRO A 42 -8.085 11.073 -16.756 1.00 1.00 C ATOM 646 O PRO A 42 -7.263 10.646 -17.566 1.00 1.00 O ATOM 647 CB PRO A 42 -10.379 11.407 -17.825 1.00 1.00 C ATOM 648 CG PRO A 42 -11.730 11.572 -17.192 1.00 1.00 C ATOM 649 CD PRO A 42 -11.461 11.686 -15.686 1.00 1.00 C ATOM 0 HA PRO A 42 -9.495 9.543 -17.018 1.00 1.00 H new ATOM 0 HB2 PRO A 42 -9.922 12.373 -18.038 1.00 1.00 H new ATOM 0 HB3 PRO A 42 -10.449 10.871 -18.772 1.00 1.00 H new ATOM 0 HG2 PRO A 42 -12.235 12.461 -17.570 1.00 1.00 H new ATOM 0 HG3 PRO A 42 -12.374 10.721 -17.413 1.00 1.00 H new ATOM 0 HD2 PRO A 42 -11.305 12.722 -15.385 1.00 1.00 H new ATOM 0 HD3 PRO A 42 -12.298 11.306 -15.100 1.00 1.00 H new ATOM 657 N SER A 43 -7.766 11.957 -15.816 1.00 1.00 N ATOM 658 CA SER A 43 -6.402 12.492 -15.683 1.00 1.00 C ATOM 659 C SER A 43 -6.050 12.739 -14.212 1.00 1.00 C ATOM 660 O SER A 43 -5.723 11.802 -13.483 1.00 1.00 O ATOM 661 CB SER A 43 -6.290 13.799 -16.476 1.00 1.00 C ATOM 662 OG SER A 43 -4.995 14.353 -16.283 1.00 1.00 O ATOM 0 H SER A 43 -8.429 12.322 -15.132 1.00 1.00 H new ATOM 0 HA SER A 43 -5.699 11.760 -16.080 1.00 1.00 H new ATOM 0 HB2 SER A 43 -6.464 13.612 -17.536 1.00 1.00 H new ATOM 0 HB3 SER A 43 -7.053 14.504 -16.147 1.00 1.00 H new ATOM 0 HG SER A 43 -4.918 15.188 -16.790 1.00 1.00 H new ATOM 668 N ILE A 44 -6.112 13.996 -13.789 1.00 1.00 N ATOM 669 CA ILE A 44 -5.795 14.369 -12.417 1.00 1.00 C ATOM 670 C ILE A 44 -4.367 13.955 -12.085 1.00 1.00 C ATOM 671 O ILE A 44 -4.083 13.522 -10.968 1.00 1.00 O ATOM 672 CB ILE A 44 -6.794 13.711 -11.444 1.00 1.00 C ATOM 673 CG1 ILE A 44 -8.233 13.940 -11.952 1.00 1.00 C ATOM 674 CG2 ILE A 44 -6.662 14.300 -10.021 1.00 1.00 C ATOM 675 CD1 ILE A 44 -8.546 15.435 -12.140 1.00 1.00 C ATOM 0 H ILE A 44 -6.382 14.780 -14.383 1.00 1.00 H new ATOM 0 HA ILE A 44 -5.876 15.451 -12.312 1.00 1.00 H new ATOM 0 HB ILE A 44 -6.572 12.645 -11.400 1.00 1.00 H new ATOM 0 HG12 ILE A 44 -8.370 13.419 -12.899 1.00 1.00 H new ATOM 0 HG13 ILE A 44 -8.941 13.507 -11.245 1.00 1.00 H new ATOM 0 HG21 ILE A 44 -7.380 13.816 -9.359 1.00 1.00 H new ATOM 0 HG22 ILE A 44 -5.652 14.129 -9.649 1.00 1.00 H new ATOM 0 HG23 ILE A 44 -6.861 15.371 -10.051 1.00 1.00 H new ATOM 0 HD11 ILE A 44 -9.569 15.550 -12.499 1.00 1.00 H new ATOM 0 HD12 ILE A 44 -8.435 15.953 -11.187 1.00 1.00 H new ATOM 0 HD13 ILE A 44 -7.856 15.862 -12.868 1.00 1.00 H new ATOM 687 N ASN A 45 -3.465 14.095 -13.051 1.00 1.00 N ATOM 688 CA ASN A 45 -2.053 13.748 -12.848 1.00 1.00 C ATOM 689 C ASN A 45 -1.909 12.472 -12.013 1.00 1.00 C ATOM 690 O ASN A 45 -1.494 12.518 -10.855 1.00 1.00 O ATOM 691 CB ASN A 45 -1.332 14.915 -12.154 1.00 1.00 C ATOM 692 CG ASN A 45 -2.073 15.325 -10.882 1.00 1.00 C ATOM 693 OD1 ASN A 45 -3.082 16.029 -10.947 1.00 1.00 O ATOM 694 ND2 ASN A 45 -1.628 14.925 -9.723 1.00 1.00 N ATOM 0 H ASN A 45 -3.681 14.446 -13.984 1.00 1.00 H new ATOM 0 HA ASN A 45 -1.600 13.564 -13.822 1.00 1.00 H new ATOM 0 HB2 ASN A 45 -0.311 14.624 -11.909 1.00 1.00 H new ATOM 0 HB3 ASN A 45 -1.267 15.765 -12.833 1.00 1.00 H new ATOM 0 HD21 ASN A 45 -2.116 15.195 -8.869 1.00 1.00 H new ATOM 0 HD22 ASN A 45 -0.793 14.342 -9.671 1.00 1.00 H new ATOM 701 N VAL A 46 -2.255 11.329 -12.597 1.00 1.00 N ATOM 702 CA VAL A 46 -2.177 10.053 -11.901 1.00 1.00 C ATOM 703 C VAL A 46 -0.765 9.807 -11.378 1.00 1.00 C ATOM 704 O VAL A 46 -0.541 8.931 -10.543 1.00 1.00 O ATOM 705 CB VAL A 46 -2.598 8.915 -12.843 1.00 1.00 C ATOM 706 CG1 VAL A 46 -4.065 9.096 -13.253 1.00 1.00 C ATOM 707 CG2 VAL A 46 -1.720 8.935 -14.100 1.00 1.00 C ATOM 0 H VAL A 46 -2.594 11.263 -13.557 1.00 1.00 H new ATOM 0 HA VAL A 46 -2.857 10.082 -11.050 1.00 1.00 H new ATOM 0 HB VAL A 46 -2.478 7.963 -12.326 1.00 1.00 H new ATOM 0 HG11 VAL A 46 -4.359 8.286 -13.921 1.00 1.00 H new ATOM 0 HG12 VAL A 46 -4.696 9.080 -12.364 1.00 1.00 H new ATOM 0 HG13 VAL A 46 -4.184 10.051 -13.765 1.00 1.00 H new ATOM 0 HG21 VAL A 46 -2.021 8.127 -14.767 1.00 1.00 H new ATOM 0 HG22 VAL A 46 -1.838 9.890 -14.611 1.00 1.00 H new ATOM 0 HG23 VAL A 46 -0.676 8.802 -13.817 1.00 1.00 H new ATOM 717 N ASN A 47 0.190 10.588 -11.873 1.00 1.00 N ATOM 718 CA ASN A 47 1.577 10.454 -11.458 1.00 1.00 C ATOM 719 C ASN A 47 1.701 10.660 -9.956 1.00 1.00 C ATOM 720 O ASN A 47 2.535 10.037 -9.299 1.00 1.00 O ATOM 721 CB ASN A 47 2.439 11.488 -12.192 1.00 1.00 C ATOM 722 CG ASN A 47 1.869 12.894 -11.998 1.00 1.00 C ATOM 723 OD1 ASN A 47 1.667 13.339 -10.868 1.00 1.00 O ATOM 724 ND2 ASN A 47 1.602 13.627 -13.043 1.00 1.00 N ATOM 0 H ASN A 47 0.026 11.321 -12.563 1.00 1.00 H new ATOM 0 HA ASN A 47 1.922 9.450 -11.706 1.00 1.00 H new ATOM 0 HB2 ASN A 47 3.462 11.449 -11.818 1.00 1.00 H new ATOM 0 HB3 ASN A 47 2.479 11.249 -13.255 1.00 1.00 H new ATOM 0 HD21 ASN A 47 1.226 14.568 -12.924 1.00 1.00 H new ATOM 0 HD22 ASN A 47 1.769 13.260 -13.980 1.00 1.00 H new ATOM 731 N GLU A 48 0.859 11.538 -9.421 1.00 1.00 N ATOM 732 CA GLU A 48 0.868 11.845 -7.994 1.00 1.00 C ATOM 733 C GLU A 48 -0.092 10.924 -7.258 1.00 1.00 C ATOM 734 O GLU A 48 -1.077 11.374 -6.674 1.00 1.00 O ATOM 735 CB GLU A 48 0.455 13.311 -7.784 1.00 1.00 C ATOM 736 CG GLU A 48 0.688 13.731 -6.324 1.00 1.00 C ATOM 737 CD GLU A 48 0.351 15.206 -6.143 1.00 1.00 C ATOM 738 OE1 GLU A 48 0.269 15.906 -7.139 1.00 1.00 O ATOM 739 OE2 GLU A 48 0.177 15.616 -5.007 1.00 1.00 O ATOM 0 H GLU A 48 0.159 12.052 -9.956 1.00 1.00 H new ATOM 0 HA GLU A 48 1.872 11.693 -7.598 1.00 1.00 H new ATOM 0 HB2 GLU A 48 1.028 13.956 -8.450 1.00 1.00 H new ATOM 0 HB3 GLU A 48 -0.596 13.440 -8.043 1.00 1.00 H new ATOM 0 HG2 GLU A 48 0.071 13.125 -5.660 1.00 1.00 H new ATOM 0 HG3 GLU A 48 1.727 13.551 -6.047 1.00 1.00 H new ATOM 746 N LEU A 49 0.199 9.627 -7.283 1.00 1.00 N ATOM 747 CA LEU A 49 -0.629 8.622 -6.605 1.00 1.00 C ATOM 748 C LEU A 49 0.242 7.466 -6.126 1.00 1.00 C ATOM 749 O LEU A 49 0.772 6.690 -6.920 1.00 1.00 O ATOM 750 CB LEU A 49 -1.720 8.090 -7.550 1.00 1.00 C ATOM 751 CG LEU A 49 -2.840 9.141 -7.772 1.00 1.00 C ATOM 752 CD1 LEU A 49 -3.828 8.614 -8.828 1.00 1.00 C ATOM 753 CD2 LEU A 49 -3.590 9.455 -6.434 1.00 1.00 C ATOM 0 H LEU A 49 1.008 9.240 -7.769 1.00 1.00 H new ATOM 0 HA LEU A 49 -1.108 9.094 -5.747 1.00 1.00 H new ATOM 0 HB2 LEU A 49 -1.275 7.823 -8.508 1.00 1.00 H new ATOM 0 HB3 LEU A 49 -2.151 7.179 -7.134 1.00 1.00 H new ATOM 0 HG LEU A 49 -2.388 10.068 -8.125 1.00 1.00 H new ATOM 0 HD11 LEU A 49 -4.617 9.349 -8.987 1.00 1.00 H new ATOM 0 HD12 LEU A 49 -3.300 8.440 -9.765 1.00 1.00 H new ATOM 0 HD13 LEU A 49 -4.268 7.679 -8.480 1.00 1.00 H new ATOM 0 HD21 LEU A 49 -4.369 10.194 -6.619 1.00 1.00 H new ATOM 0 HD22 LEU A 49 -4.041 8.541 -6.047 1.00 1.00 H new ATOM 0 HD23 LEU A 49 -2.883 9.848 -5.704 1.00 1.00 H new ATOM 765 N PHE A 50 0.396 7.356 -4.811 1.00 1.00 N ATOM 766 CA PHE A 50 1.211 6.295 -4.215 1.00 1.00 C ATOM 767 C PHE A 50 0.610 5.782 -2.911 1.00 1.00 C ATOM 768 O PHE A 50 -0.142 6.472 -2.222 1.00 1.00 O ATOM 769 CB PHE A 50 2.609 6.833 -3.927 1.00 1.00 C ATOM 770 CG PHE A 50 3.239 7.311 -5.220 1.00 1.00 C ATOM 771 CD1 PHE A 50 3.943 6.412 -6.032 1.00 1.00 C ATOM 772 CD2 PHE A 50 3.121 8.654 -5.609 1.00 1.00 C ATOM 773 CE1 PHE A 50 4.528 6.852 -7.224 1.00 1.00 C ATOM 774 CE2 PHE A 50 3.707 9.092 -6.802 1.00 1.00 C ATOM 775 CZ PHE A 50 4.409 8.192 -7.610 1.00 1.00 C ATOM 0 H PHE A 50 -0.032 7.988 -4.134 1.00 1.00 H new ATOM 0 HA PHE A 50 1.249 5.469 -4.925 1.00 1.00 H new ATOM 0 HB2 PHE A 50 2.555 7.653 -3.211 1.00 1.00 H new ATOM 0 HB3 PHE A 50 3.224 6.055 -3.475 1.00 1.00 H new ATOM 0 HD1 PHE A 50 4.034 5.377 -5.737 1.00 1.00 H new ATOM 0 HD2 PHE A 50 2.578 9.350 -4.987 1.00 1.00 H new ATOM 0 HE1 PHE A 50 5.072 6.157 -7.847 1.00 1.00 H new ATOM 0 HE2 PHE A 50 3.617 10.126 -7.099 1.00 1.00 H new ATOM 0 HZ PHE A 50 4.859 8.531 -8.531 1.00 1.00 H new ATOM 785 N ALA A 51 0.979 4.551 -2.573 1.00 1.00 N ATOM 786 CA ALA A 51 0.523 3.908 -1.331 1.00 1.00 C ATOM 787 C ALA A 51 1.734 3.665 -0.443 1.00 1.00 C ATOM 788 O ALA A 51 2.811 3.308 -0.920 1.00 1.00 O ATOM 789 CB ALA A 51 -0.171 2.581 -1.639 1.00 1.00 C ATOM 0 H ALA A 51 1.596 3.970 -3.141 1.00 1.00 H new ATOM 0 HA ALA A 51 -0.192 4.556 -0.824 1.00 1.00 H new ATOM 0 HB1 ALA A 51 -0.502 2.119 -0.709 1.00 1.00 H new ATOM 0 HB2 ALA A 51 -1.033 2.762 -2.281 1.00 1.00 H new ATOM 0 HB3 ALA A 51 0.526 1.915 -2.147 1.00 1.00 H new ATOM 795 N TYR A 52 1.573 3.867 0.861 1.00 1.00 N ATOM 796 CA TYR A 52 2.698 3.684 1.796 1.00 1.00 C ATOM 797 C TYR A 52 2.261 3.041 3.104 1.00 1.00 C ATOM 798 O TYR A 52 1.171 3.285 3.620 1.00 1.00 O ATOM 799 CB TYR A 52 3.326 5.049 2.090 1.00 1.00 C ATOM 800 CG TYR A 52 2.249 5.995 2.584 1.00 1.00 C ATOM 801 CD1 TYR A 52 1.347 6.554 1.667 1.00 1.00 C ATOM 802 CD2 TYR A 52 2.145 6.311 3.948 1.00 1.00 C ATOM 803 CE1 TYR A 52 0.347 7.424 2.112 1.00 1.00 C ATOM 804 CE2 TYR A 52 1.142 7.180 4.389 1.00 1.00 C ATOM 805 CZ TYR A 52 0.245 7.736 3.471 1.00 1.00 C ATOM 806 OH TYR A 52 -0.745 8.591 3.908 1.00 1.00 O ATOM 0 H TYR A 52 0.696 4.152 1.296 1.00 1.00 H new ATOM 0 HA TYR A 52 3.419 3.016 1.326 1.00 1.00 H new ATOM 0 HB2 TYR A 52 4.111 4.948 2.840 1.00 1.00 H new ATOM 0 HB3 TYR A 52 3.794 5.449 1.191 1.00 1.00 H new ATOM 0 HD1 TYR A 52 1.425 6.312 0.617 1.00 1.00 H new ATOM 0 HD2 TYR A 52 2.839 5.883 4.656 1.00 1.00 H new ATOM 0 HE1 TYR A 52 -0.347 7.855 1.406 1.00 1.00 H new ATOM 0 HE2 TYR A 52 1.060 7.422 5.438 1.00 1.00 H new ATOM 0 HH TYR A 52 -1.526 8.514 3.321 1.00 1.00 H new ATOM 816 N VAL A 53 3.148 2.211 3.642 1.00 1.00 N ATOM 817 CA VAL A 53 2.876 1.523 4.912 1.00 1.00 C ATOM 818 C VAL A 53 3.697 2.177 6.014 1.00 1.00 C ATOM 819 O VAL A 53 4.724 2.803 5.754 1.00 1.00 O ATOM 820 CB VAL A 53 3.258 0.041 4.807 1.00 1.00 C ATOM 821 CG1 VAL A 53 2.433 -0.612 3.703 1.00 1.00 C ATOM 822 CG2 VAL A 53 4.753 -0.104 4.475 1.00 1.00 C ATOM 0 H VAL A 53 4.055 1.995 3.228 1.00 1.00 H new ATOM 0 HA VAL A 53 1.813 1.598 5.140 1.00 1.00 H new ATOM 0 HB VAL A 53 3.059 -0.445 5.762 1.00 1.00 H new ATOM 0 HG11 VAL A 53 2.700 -1.666 3.624 1.00 1.00 H new ATOM 0 HG12 VAL A 53 1.373 -0.523 3.940 1.00 1.00 H new ATOM 0 HG13 VAL A 53 2.635 -0.114 2.755 1.00 1.00 H new ATOM 0 HG21 VAL A 53 5.009 -1.161 4.404 1.00 1.00 H new ATOM 0 HG22 VAL A 53 4.964 0.385 3.524 1.00 1.00 H new ATOM 0 HG23 VAL A 53 5.347 0.361 5.262 1.00 1.00 H new ATOM 832 N ASP A 54 3.236 2.036 7.253 1.00 1.00 N ATOM 833 CA ASP A 54 3.934 2.640 8.395 1.00 1.00 C ATOM 834 C ASP A 54 4.831 1.619 9.071 1.00 1.00 C ATOM 835 O ASP A 54 4.492 0.441 9.184 1.00 1.00 O ATOM 836 CB ASP A 54 2.917 3.187 9.403 1.00 1.00 C ATOM 837 CG ASP A 54 2.127 4.338 8.780 1.00 1.00 C ATOM 838 OD1 ASP A 54 2.583 4.879 7.783 1.00 1.00 O ATOM 839 OD2 ASP A 54 1.079 4.666 9.311 1.00 1.00 O ATOM 0 H ASP A 54 2.393 1.516 7.496 1.00 1.00 H new ATOM 0 HA ASP A 54 4.552 3.460 8.028 1.00 1.00 H new ATOM 0 HB2 ASP A 54 2.236 2.394 9.712 1.00 1.00 H new ATOM 0 HB3 ASP A 54 3.432 3.532 10.300 1.00 1.00 H new ATOM 844 N LEU A 55 5.990 2.083 9.525 1.00 1.00 N ATOM 845 CA LEU A 55 6.966 1.218 10.202 1.00 1.00 C ATOM 846 C LEU A 55 7.439 1.865 11.499 1.00 1.00 C ATOM 847 O LEU A 55 8.620 1.800 11.843 1.00 1.00 O ATOM 848 CB LEU A 55 8.154 0.969 9.274 1.00 1.00 C ATOM 849 CG LEU A 55 7.683 0.254 7.983 1.00 1.00 C ATOM 850 CD1 LEU A 55 8.835 0.208 6.971 1.00 1.00 C ATOM 851 CD2 LEU A 55 7.197 -1.194 8.280 1.00 1.00 C ATOM 0 H LEU A 55 6.283 3.056 9.439 1.00 1.00 H new ATOM 0 HA LEU A 55 6.492 0.267 10.445 1.00 1.00 H new ATOM 0 HB2 LEU A 55 8.632 1.915 9.021 1.00 1.00 H new ATOM 0 HB3 LEU A 55 8.902 0.361 9.783 1.00 1.00 H new ATOM 0 HG LEU A 55 6.845 0.817 7.572 1.00 1.00 H new ATOM 0 HD11 LEU A 55 8.502 -0.295 6.063 1.00 1.00 H new ATOM 0 HD12 LEU A 55 9.147 1.224 6.729 1.00 1.00 H new ATOM 0 HD13 LEU A 55 9.675 -0.337 7.401 1.00 1.00 H new ATOM 0 HD21 LEU A 55 6.874 -1.667 7.353 1.00 1.00 H new ATOM 0 HD22 LEU A 55 8.014 -1.770 8.715 1.00 1.00 H new ATOM 0 HD23 LEU A 55 6.363 -1.161 8.981 1.00 1.00 H new ATOM 863 N SER A 56 6.504 2.476 12.217 1.00 1.00 N ATOM 864 CA SER A 56 6.796 3.137 13.492 1.00 1.00 C ATOM 865 C SER A 56 7.367 2.158 14.530 1.00 1.00 C ATOM 866 O SER A 56 7.433 2.468 15.719 1.00 1.00 O ATOM 867 CB SER A 56 5.514 3.761 14.043 1.00 1.00 C ATOM 868 OG SER A 56 5.000 4.693 13.101 1.00 1.00 O ATOM 0 H SER A 56 5.525 2.530 11.937 1.00 1.00 H new ATOM 0 HA SER A 56 7.548 3.904 13.305 1.00 1.00 H new ATOM 0 HB2 SER A 56 4.775 2.985 14.243 1.00 1.00 H new ATOM 0 HB3 SER A 56 5.717 4.260 14.991 1.00 1.00 H new ATOM 0 HG SER A 56 4.177 5.093 13.452 1.00 1.00 H new ATOM 874 N GLY A 57 7.786 0.980 14.080 1.00 1.00 N ATOM 875 CA GLY A 57 8.355 -0.037 14.970 1.00 1.00 C ATOM 876 C GLY A 57 9.399 -0.860 14.236 1.00 1.00 C ATOM 877 O GLY A 57 9.420 -0.919 13.007 1.00 1.00 O ATOM 0 H GLY A 57 7.744 0.701 13.100 1.00 1.00 H new ATOM 0 HA2 GLY A 57 8.806 0.442 15.839 1.00 1.00 H new ATOM 0 HA3 GLY A 57 7.564 -0.689 15.340 1.00 1.00 H new ATOM 881 N SER A 58 10.274 -1.500 15.005 1.00 1.00 N ATOM 882 CA SER A 58 11.337 -2.329 14.430 1.00 1.00 C ATOM 883 C SER A 58 11.675 -3.496 15.348 1.00 1.00 C ATOM 884 O SER A 58 11.909 -3.328 16.544 1.00 1.00 O ATOM 885 CB SER A 58 12.596 -1.485 14.217 1.00 1.00 C ATOM 886 OG SER A 58 13.598 -2.280 13.593 1.00 1.00 O ATOM 0 H SER A 58 10.272 -1.463 16.024 1.00 1.00 H new ATOM 0 HA SER A 58 10.981 -2.720 13.477 1.00 1.00 H new ATOM 0 HB2 SER A 58 12.366 -0.618 13.597 1.00 1.00 H new ATOM 0 HB3 SER A 58 12.959 -1.106 15.172 1.00 1.00 H new ATOM 0 HG SER A 58 14.404 -1.741 13.454 1.00 1.00 H new ATOM 892 N GLU A 59 11.715 -4.691 14.769 1.00 1.00 N ATOM 893 CA GLU A 59 12.056 -5.881 15.547 1.00 1.00 C ATOM 894 C GLU A 59 12.033 -7.145 14.651 1.00 1.00 C ATOM 895 O GLU A 59 10.995 -7.426 14.051 1.00 1.00 O ATOM 896 CB GLU A 59 11.081 -6.054 16.765 1.00 1.00 C ATOM 897 CG GLU A 59 11.871 -6.023 18.082 1.00 1.00 C ATOM 898 CD GLU A 59 10.925 -6.151 19.260 1.00 1.00 C ATOM 899 OE1 GLU A 59 10.353 -5.145 19.644 1.00 1.00 O ATOM 900 OE2 GLU A 59 10.782 -7.254 19.761 1.00 1.00 O ATOM 0 H GLU A 59 11.520 -4.863 13.783 1.00 1.00 H new ATOM 0 HA GLU A 59 13.066 -5.751 15.936 1.00 1.00 H new ATOM 0 HB2 GLU A 59 10.336 -5.259 16.760 1.00 1.00 H new ATOM 0 HB3 GLU A 59 10.541 -6.997 16.678 1.00 1.00 H new ATOM 0 HG2 GLU A 59 12.597 -6.836 18.099 1.00 1.00 H new ATOM 0 HG3 GLU A 59 12.433 -5.092 18.156 1.00 1.00 H new ATOM 907 N PRO A 60 13.093 -7.899 14.551 1.00 1.00 N ATOM 908 CA PRO A 60 13.122 -9.152 13.707 1.00 1.00 C ATOM 909 C PRO A 60 11.885 -10.057 13.887 1.00 1.00 C ATOM 910 O PRO A 60 11.978 -11.134 14.479 1.00 1.00 O ATOM 911 CB PRO A 60 14.408 -9.881 14.177 1.00 1.00 C ATOM 912 CG PRO A 60 15.319 -8.794 14.656 1.00 1.00 C ATOM 913 CD PRO A 60 14.407 -7.682 15.211 1.00 1.00 C ATOM 0 HA PRO A 60 13.113 -8.905 12.645 1.00 1.00 H new ATOM 0 HB2 PRO A 60 14.189 -10.592 14.974 1.00 1.00 H new ATOM 0 HB3 PRO A 60 14.862 -10.445 13.362 1.00 1.00 H new ATOM 0 HG2 PRO A 60 15.995 -9.164 15.427 1.00 1.00 H new ATOM 0 HG3 PRO A 60 15.939 -8.419 13.842 1.00 1.00 H new ATOM 0 HD2 PRO A 60 14.320 -7.747 16.296 1.00 1.00 H new ATOM 0 HD3 PRO A 60 14.805 -6.694 14.982 1.00 1.00 H new ATOM 921 N GLY A 61 10.738 -9.621 13.378 1.00 1.00 N ATOM 922 CA GLY A 61 9.487 -10.386 13.485 1.00 1.00 C ATOM 923 C GLY A 61 8.638 -10.192 12.233 1.00 1.00 C ATOM 924 O GLY A 61 8.767 -9.194 11.526 1.00 1.00 O ATOM 0 H GLY A 61 10.642 -8.735 12.882 1.00 1.00 H new ATOM 0 HA2 GLY A 61 9.711 -11.444 13.620 1.00 1.00 H new ATOM 0 HA3 GLY A 61 8.929 -10.063 14.364 1.00 1.00 H new ATOM 928 N GLU A 62 7.766 -11.154 11.951 1.00 1.00 N ATOM 929 CA GLU A 62 6.887 -11.089 10.776 1.00 1.00 C ATOM 930 C GLU A 62 5.619 -10.305 11.121 1.00 1.00 C ATOM 931 O GLU A 62 4.603 -10.878 11.513 1.00 1.00 O ATOM 932 CB GLU A 62 6.533 -12.520 10.313 1.00 1.00 C ATOM 933 CG GLU A 62 6.264 -13.420 11.535 1.00 1.00 C ATOM 934 CD GLU A 62 5.675 -14.753 11.082 1.00 1.00 C ATOM 935 OE1 GLU A 62 6.401 -15.518 10.470 1.00 1.00 O ATOM 936 OE2 GLU A 62 4.509 -14.985 11.352 1.00 1.00 O ATOM 0 H GLU A 62 7.645 -11.993 12.519 1.00 1.00 H new ATOM 0 HA GLU A 62 7.401 -10.576 9.963 1.00 1.00 H new ATOM 0 HB2 GLU A 62 5.654 -12.495 9.669 1.00 1.00 H new ATOM 0 HB3 GLU A 62 7.350 -12.932 9.721 1.00 1.00 H new ATOM 0 HG2 GLU A 62 7.191 -13.590 12.083 1.00 1.00 H new ATOM 0 HG3 GLU A 62 5.576 -12.923 12.219 1.00 1.00 H new ATOM 943 N HIS A 63 5.684 -8.987 10.968 1.00 1.00 N ATOM 944 CA HIS A 63 4.552 -8.113 11.289 1.00 1.00 C ATOM 945 C HIS A 63 3.663 -7.851 10.082 1.00 1.00 C ATOM 946 O HIS A 63 4.138 -7.599 8.975 1.00 1.00 O ATOM 947 CB HIS A 63 5.100 -6.778 11.803 1.00 1.00 C ATOM 948 CG HIS A 63 3.966 -5.895 12.263 1.00 1.00 C ATOM 949 ND1 HIS A 63 3.147 -5.206 11.377 1.00 1.00 N ATOM 950 CD2 HIS A 63 3.511 -5.576 13.516 1.00 1.00 C ATOM 951 CE1 HIS A 63 2.252 -4.513 12.107 1.00 1.00 C ATOM 952 NE2 HIS A 63 2.431 -4.704 13.417 1.00 1.00 N ATOM 0 H HIS A 63 6.509 -8.496 10.623 1.00 1.00 H new ATOM 0 HA HIS A 63 3.943 -8.612 12.043 1.00 1.00 H new ATOM 0 HB2 HIS A 63 5.792 -6.953 12.627 1.00 1.00 H new ATOM 0 HB3 HIS A 63 5.663 -6.279 11.014 1.00 1.00 H new ATOM 0 HD1 HIS A 63 3.212 -5.222 10.359 1.00 1.00 H new ATOM 0 HD2 HIS A 63 3.928 -5.946 14.441 1.00 1.00 H new ATOM 0 HE1 HIS A 63 1.484 -3.881 11.685 1.00 1.00 H new ATOM 961 N ASP A 64 2.354 -7.893 10.312 1.00 1.00 N ATOM 962 CA ASP A 64 1.375 -7.634 9.258 1.00 1.00 C ATOM 963 C ASP A 64 1.044 -6.144 9.235 1.00 1.00 C ATOM 964 O ASP A 64 0.506 -5.591 10.195 1.00 1.00 O ATOM 965 CB ASP A 64 0.110 -8.461 9.506 1.00 1.00 C ATOM 966 CG ASP A 64 0.421 -9.952 9.373 1.00 1.00 C ATOM 967 OD1 ASP A 64 1.349 -10.284 8.651 1.00 1.00 O ATOM 968 OD2 ASP A 64 -0.276 -10.742 9.989 1.00 1.00 O ATOM 0 H ASP A 64 1.944 -8.105 11.222 1.00 1.00 H new ATOM 0 HA ASP A 64 1.790 -7.922 8.292 1.00 1.00 H new ATOM 0 HB2 ASP A 64 -0.282 -8.251 10.501 1.00 1.00 H new ATOM 0 HB3 ASP A 64 -0.664 -8.178 8.793 1.00 1.00 H new ATOM 973 N TYR A 65 1.379 -5.477 8.136 1.00 1.00 N ATOM 974 CA TYR A 65 1.137 -4.027 8.002 1.00 1.00 C ATOM 975 C TYR A 65 -0.052 -3.741 7.085 1.00 1.00 C ATOM 976 O TYR A 65 -0.199 -4.323 6.011 1.00 1.00 O ATOM 977 CB TYR A 65 2.399 -3.339 7.460 1.00 1.00 C ATOM 978 CG TYR A 65 3.516 -3.448 8.493 1.00 1.00 C ATOM 979 CD1 TYR A 65 3.415 -2.737 9.700 1.00 1.00 C ATOM 980 CD2 TYR A 65 4.645 -4.254 8.255 1.00 1.00 C ATOM 981 CE1 TYR A 65 4.428 -2.833 10.661 1.00 1.00 C ATOM 982 CE2 TYR A 65 5.656 -4.346 9.219 1.00 1.00 C ATOM 983 CZ TYR A 65 5.548 -3.635 10.421 1.00 1.00 C ATOM 984 OH TYR A 65 6.546 -3.729 11.369 1.00 1.00 O ATOM 0 H TYR A 65 1.818 -5.907 7.322 1.00 1.00 H new ATOM 0 HA TYR A 65 0.899 -3.629 8.989 1.00 1.00 H new ATOM 0 HB2 TYR A 65 2.707 -3.804 6.524 1.00 1.00 H new ATOM 0 HB3 TYR A 65 2.191 -2.292 7.242 1.00 1.00 H new ATOM 0 HD1 TYR A 65 2.553 -2.114 9.887 1.00 1.00 H new ATOM 0 HD2 TYR A 65 4.731 -4.802 7.328 1.00 1.00 H new ATOM 0 HE1 TYR A 65 4.345 -2.287 11.589 1.00 1.00 H new ATOM 0 HE2 TYR A 65 6.521 -4.966 9.036 1.00 1.00 H new ATOM 0 HH TYR A 65 7.250 -4.328 11.044 1.00 1.00 H new ATOM 994 N GLU A 66 -0.899 -2.821 7.537 1.00 1.00 N ATOM 995 CA GLU A 66 -2.097 -2.434 6.797 1.00 1.00 C ATOM 996 C GLU A 66 -1.767 -1.433 5.696 1.00 1.00 C ATOM 997 O GLU A 66 -0.933 -0.545 5.873 1.00 1.00 O ATOM 998 CB GLU A 66 -3.096 -1.803 7.766 1.00 1.00 C ATOM 999 CG GLU A 66 -3.508 -2.833 8.825 1.00 1.00 C ATOM 1000 CD GLU A 66 -4.467 -2.207 9.837 1.00 1.00 C ATOM 1001 OE1 GLU A 66 -4.806 -1.045 9.674 1.00 1.00 O ATOM 1002 OE2 GLU A 66 -4.851 -2.901 10.764 1.00 1.00 O ATOM 0 H GLU A 66 -0.776 -2.325 8.420 1.00 1.00 H new ATOM 0 HA GLU A 66 -2.521 -3.325 6.334 1.00 1.00 H new ATOM 0 HB2 GLU A 66 -2.651 -0.931 8.246 1.00 1.00 H new ATOM 0 HB3 GLU A 66 -3.974 -1.454 7.223 1.00 1.00 H new ATOM 0 HG2 GLU A 66 -3.985 -3.687 8.344 1.00 1.00 H new ATOM 0 HG3 GLU A 66 -2.623 -3.209 9.338 1.00 1.00 H new ATOM 1009 N VAL A 67 -2.438 -1.575 4.557 1.00 1.00 N ATOM 1010 CA VAL A 67 -2.226 -0.677 3.425 1.00 1.00 C ATOM 1011 C VAL A 67 -2.884 0.674 3.687 1.00 1.00 C ATOM 1012 O VAL A 67 -4.103 0.776 3.834 1.00 1.00 O ATOM 1013 CB VAL A 67 -2.820 -1.297 2.148 1.00 1.00 C ATOM 1014 CG1 VAL A 67 -2.410 -0.468 0.920 1.00 1.00 C ATOM 1015 CG2 VAL A 67 -2.295 -2.727 1.986 1.00 1.00 C ATOM 0 H VAL A 67 -3.133 -2.303 4.393 1.00 1.00 H new ATOM 0 HA VAL A 67 -1.154 -0.530 3.295 1.00 1.00 H new ATOM 0 HB VAL A 67 -3.907 -1.306 2.230 1.00 1.00 H new ATOM 0 HG11 VAL A 67 -2.835 -0.915 0.021 1.00 1.00 H new ATOM 0 HG12 VAL A 67 -2.781 0.551 1.029 1.00 1.00 H new ATOM 0 HG13 VAL A 67 -1.323 -0.452 0.838 1.00 1.00 H new ATOM 0 HG21 VAL A 67 -2.714 -3.168 1.082 1.00 1.00 H new ATOM 0 HG22 VAL A 67 -1.208 -2.709 1.910 1.00 1.00 H new ATOM 0 HG23 VAL A 67 -2.589 -3.323 2.850 1.00 1.00 H new ATOM 1025 N LYS A 68 -2.076 1.727 3.743 1.00 1.00 N ATOM 1026 CA LYS A 68 -2.585 3.089 3.983 1.00 1.00 C ATOM 1027 C LYS A 68 -2.525 3.903 2.688 1.00 1.00 C ATOM 1028 O LYS A 68 -1.461 4.206 2.150 1.00 1.00 O ATOM 1029 CB LYS A 68 -1.760 3.771 5.082 1.00 1.00 C ATOM 1030 CG LYS A 68 -2.358 5.141 5.417 1.00 1.00 C ATOM 1031 CD LYS A 68 -1.566 5.765 6.561 1.00 1.00 C ATOM 1032 CE LYS A 68 -2.163 7.133 6.896 1.00 1.00 C ATOM 1033 NZ LYS A 68 -1.397 7.756 8.011 1.00 1.00 N ATOM 0 H LYS A 68 -1.064 1.672 3.626 1.00 1.00 H new ATOM 0 HA LYS A 68 -3.623 3.030 4.312 1.00 1.00 H new ATOM 0 HB2 LYS A 68 -1.742 3.146 5.975 1.00 1.00 H new ATOM 0 HB3 LYS A 68 -0.727 3.887 4.753 1.00 1.00 H new ATOM 0 HG2 LYS A 68 -2.327 5.789 4.541 1.00 1.00 H new ATOM 0 HG3 LYS A 68 -3.406 5.035 5.699 1.00 1.00 H new ATOM 0 HD2 LYS A 68 -1.597 5.117 7.437 1.00 1.00 H new ATOM 0 HD3 LYS A 68 -0.518 5.871 6.279 1.00 1.00 H new ATOM 0 HE2 LYS A 68 -2.134 7.778 6.018 1.00 1.00 H new ATOM 0 HE3 LYS A 68 -3.210 7.024 7.178 1.00 1.00 H new ATOM 0 HZ1 LYS A 68 -1.806 8.686 8.236 1.00 1.00 H new ATOM 0 HZ2 LYS A 68 -1.446 7.144 8.850 1.00 1.00 H new ATOM 0 HZ3 LYS A 68 -0.404 7.874 7.726 1.00 1.00 H new ATOM 1047 N VAL A 69 -3.700 4.275 2.189 1.00 1.00 N ATOM 1048 CA VAL A 69 -3.797 5.055 0.947 1.00 1.00 C ATOM 1049 C VAL A 69 -3.660 6.545 1.230 1.00 1.00 C ATOM 1050 O VAL A 69 -3.698 6.985 2.380 1.00 1.00 O ATOM 1051 CB VAL A 69 -5.152 4.778 0.264 1.00 1.00 C ATOM 1052 CG1 VAL A 69 -5.228 5.458 -1.131 1.00 1.00 C ATOM 1053 CG2 VAL A 69 -5.316 3.260 0.106 1.00 1.00 C ATOM 0 H VAL A 69 -4.598 4.053 2.619 1.00 1.00 H new ATOM 0 HA VAL A 69 -2.985 4.753 0.286 1.00 1.00 H new ATOM 0 HB VAL A 69 -5.951 5.189 0.881 1.00 1.00 H new ATOM 0 HG11 VAL A 69 -6.195 5.245 -1.588 1.00 1.00 H new ATOM 0 HG12 VAL A 69 -5.110 6.536 -1.017 1.00 1.00 H new ATOM 0 HG13 VAL A 69 -4.433 5.071 -1.768 1.00 1.00 H new ATOM 0 HG21 VAL A 69 -6.270 3.045 -0.376 1.00 1.00 H new ATOM 0 HG22 VAL A 69 -4.504 2.868 -0.506 1.00 1.00 H new ATOM 0 HG23 VAL A 69 -5.291 2.787 1.088 1.00 1.00 H new ATOM 1063 N GLU A 70 -3.511 7.322 0.163 1.00 1.00 N ATOM 1064 CA GLU A 70 -3.374 8.779 0.289 1.00 1.00 C ATOM 1065 C GLU A 70 -4.763 9.455 0.126 1.00 1.00 C ATOM 1066 O GLU A 70 -5.308 9.441 -0.978 1.00 1.00 O ATOM 1067 CB GLU A 70 -2.396 9.299 -0.792 1.00 1.00 C ATOM 1068 CG GLU A 70 -1.911 10.727 -0.446 1.00 1.00 C ATOM 1069 CD GLU A 70 -3.045 11.736 -0.609 1.00 1.00 C ATOM 1070 OE1 GLU A 70 -3.802 11.599 -1.554 1.00 1.00 O ATOM 1071 OE2 GLU A 70 -3.137 12.632 0.214 1.00 1.00 O ATOM 0 H GLU A 70 -3.481 6.976 -0.796 1.00 1.00 H new ATOM 0 HA GLU A 70 -2.980 9.024 1.275 1.00 1.00 H new ATOM 0 HB2 GLU A 70 -1.541 8.628 -0.870 1.00 1.00 H new ATOM 0 HB3 GLU A 70 -2.888 9.302 -1.764 1.00 1.00 H new ATOM 0 HG2 GLU A 70 -1.540 10.752 0.578 1.00 1.00 H new ATOM 0 HG3 GLU A 70 -1.078 11.001 -1.094 1.00 1.00 H new ATOM 1078 N PRO A 71 -5.324 10.040 1.149 1.00 1.00 N ATOM 1079 CA PRO A 71 -6.667 10.712 1.040 1.00 1.00 C ATOM 1080 C PRO A 71 -6.770 11.646 -0.175 1.00 1.00 C ATOM 1081 O PRO A 71 -5.906 12.490 -0.412 1.00 1.00 O ATOM 1082 CB PRO A 71 -6.764 11.521 2.357 1.00 1.00 C ATOM 1083 CG PRO A 71 -5.950 10.735 3.335 1.00 1.00 C ATOM 1084 CD PRO A 71 -4.788 10.144 2.525 1.00 1.00 C ATOM 0 HA PRO A 71 -7.472 9.990 0.901 1.00 1.00 H new ATOM 0 HB2 PRO A 71 -6.372 12.530 2.233 1.00 1.00 H new ATOM 0 HB3 PRO A 71 -7.798 11.619 2.688 1.00 1.00 H new ATOM 0 HG2 PRO A 71 -5.583 11.371 4.140 1.00 1.00 H new ATOM 0 HG3 PRO A 71 -6.546 9.948 3.797 1.00 1.00 H new ATOM 0 HD2 PRO A 71 -3.908 10.786 2.563 1.00 1.00 H new ATOM 0 HD3 PRO A 71 -4.488 9.170 2.911 1.00 1.00 H new ATOM 1092 N ILE A 72 -7.850 11.500 -0.936 1.00 1.00 N ATOM 1093 CA ILE A 72 -8.065 12.341 -2.135 1.00 1.00 C ATOM 1094 C ILE A 72 -9.047 13.504 -1.824 1.00 1.00 C ATOM 1095 O ILE A 72 -10.239 13.251 -1.644 1.00 1.00 O ATOM 1096 CB ILE A 72 -8.622 11.499 -3.298 1.00 1.00 C ATOM 1097 CG1 ILE A 72 -7.715 10.270 -3.518 1.00 1.00 C ATOM 1098 CG2 ILE A 72 -8.634 12.358 -4.588 1.00 1.00 C ATOM 1099 CD1 ILE A 72 -8.380 9.311 -4.502 1.00 1.00 C ATOM 0 H ILE A 72 -8.588 10.819 -0.757 1.00 1.00 H new ATOM 0 HA ILE A 72 -7.100 12.757 -2.425 1.00 1.00 H new ATOM 0 HB ILE A 72 -9.634 11.172 -3.062 1.00 1.00 H new ATOM 0 HG12 ILE A 72 -6.745 10.586 -3.902 1.00 1.00 H new ATOM 0 HG13 ILE A 72 -7.533 9.765 -2.569 1.00 1.00 H new ATOM 0 HG21 ILE A 72 -9.027 11.767 -5.415 1.00 1.00 H new ATOM 0 HG22 ILE A 72 -9.264 13.234 -4.436 1.00 1.00 H new ATOM 0 HG23 ILE A 72 -7.619 12.678 -4.822 1.00 1.00 H new ATOM 0 HD11 ILE A 72 -7.738 8.444 -4.656 1.00 1.00 H new ATOM 0 HD12 ILE A 72 -9.339 8.985 -4.100 1.00 1.00 H new ATOM 0 HD13 ILE A 72 -8.539 9.818 -5.454 1.00 1.00 H new ATOM 1111 N PRO A 73 -8.602 14.729 -1.765 1.00 1.00 N ATOM 1112 CA PRO A 73 -9.507 15.895 -1.465 1.00 1.00 C ATOM 1113 C PRO A 73 -10.417 16.271 -2.645 1.00 1.00 C ATOM 1114 O PRO A 73 -10.420 17.415 -3.099 1.00 1.00 O ATOM 1115 CB PRO A 73 -8.519 17.039 -1.103 1.00 1.00 C ATOM 1116 CG PRO A 73 -7.256 16.707 -1.851 1.00 1.00 C ATOM 1117 CD PRO A 73 -7.202 15.174 -1.966 1.00 1.00 C ATOM 0 HA PRO A 73 -10.211 15.670 -0.664 1.00 1.00 H new ATOM 0 HB2 PRO A 73 -8.912 18.011 -1.402 1.00 1.00 H new ATOM 0 HB3 PRO A 73 -8.342 17.084 -0.028 1.00 1.00 H new ATOM 0 HG2 PRO A 73 -7.258 17.170 -2.838 1.00 1.00 H new ATOM 0 HG3 PRO A 73 -6.382 17.087 -1.322 1.00 1.00 H new ATOM 0 HD2 PRO A 73 -6.824 14.864 -2.940 1.00 1.00 H new ATOM 0 HD3 PRO A 73 -6.539 14.744 -1.215 1.00 1.00 H new ATOM 1125 N ASN A 74 -11.191 15.312 -3.143 1.00 1.00 N ATOM 1126 CA ASN A 74 -12.107 15.552 -4.260 1.00 1.00 C ATOM 1127 C ASN A 74 -12.957 14.311 -4.545 1.00 1.00 C ATOM 1128 O ASN A 74 -14.166 14.401 -4.763 1.00 1.00 O ATOM 1129 CB ASN A 74 -11.328 15.929 -5.527 1.00 1.00 C ATOM 1130 CG ASN A 74 -12.300 16.304 -6.638 1.00 1.00 C ATOM 1131 OD1 ASN A 74 -13.244 17.060 -6.408 1.00 1.00 O ATOM 1132 ND2 ASN A 74 -12.126 15.817 -7.834 1.00 1.00 N ATOM 0 H ASN A 74 -11.204 14.355 -2.790 1.00 1.00 H new ATOM 0 HA ASN A 74 -12.761 16.377 -3.978 1.00 1.00 H new ATOM 0 HB2 ASN A 74 -10.660 16.764 -5.319 1.00 1.00 H new ATOM 0 HB3 ASN A 74 -10.704 15.093 -5.844 1.00 1.00 H new ATOM 0 HD21 ASN A 74 -12.773 16.062 -8.583 1.00 1.00 H new ATOM 0 HD22 ASN A 74 -11.343 15.191 -8.021 1.00 1.00 H new ATOM 1139 N ILE A 75 -12.327 13.141 -4.554 1.00 1.00 N ATOM 1140 CA ILE A 75 -13.030 11.865 -4.828 1.00 1.00 C ATOM 1141 C ILE A 75 -13.050 10.994 -3.569 1.00 1.00 C ATOM 1142 O ILE A 75 -12.449 11.325 -2.547 1.00 1.00 O ATOM 1143 CB ILE A 75 -12.331 11.102 -5.986 1.00 1.00 C ATOM 1144 CG1 ILE A 75 -12.240 12.031 -7.221 1.00 1.00 C ATOM 1145 CG2 ILE A 75 -13.131 9.810 -6.357 1.00 1.00 C ATOM 1146 CD1 ILE A 75 -11.365 11.380 -8.298 1.00 1.00 C ATOM 0 H ILE A 75 -11.328 13.036 -4.376 1.00 1.00 H new ATOM 0 HA ILE A 75 -14.055 12.089 -5.122 1.00 1.00 H new ATOM 0 HB ILE A 75 -11.331 10.808 -5.666 1.00 1.00 H new ATOM 0 HG12 ILE A 75 -13.237 12.223 -7.617 1.00 1.00 H new ATOM 0 HG13 ILE A 75 -11.820 12.995 -6.932 1.00 1.00 H new ATOM 0 HG21 ILE A 75 -12.625 9.290 -7.170 1.00 1.00 H new ATOM 0 HG22 ILE A 75 -13.188 9.155 -5.487 1.00 1.00 H new ATOM 0 HG23 ILE A 75 -14.138 10.083 -6.672 1.00 1.00 H new ATOM 0 HD11 ILE A 75 -11.305 12.038 -9.165 1.00 1.00 H new ATOM 0 HD12 ILE A 75 -10.364 11.211 -7.900 1.00 1.00 H new ATOM 0 HD13 ILE A 75 -11.803 10.427 -8.596 1.00 1.00 H new ATOM 1158 N LYS A 76 -13.757 9.872 -3.652 1.00 1.00 N ATOM 1159 CA LYS A 76 -13.870 8.936 -2.521 1.00 1.00 C ATOM 1160 C LYS A 76 -13.277 7.575 -2.869 1.00 1.00 C ATOM 1161 O LYS A 76 -13.169 7.176 -4.028 1.00 1.00 O ATOM 1162 CB LYS A 76 -15.346 8.790 -2.127 1.00 1.00 C ATOM 1163 CG LYS A 76 -15.474 7.968 -0.831 1.00 1.00 C ATOM 1164 CD LYS A 76 -16.917 8.018 -0.328 1.00 1.00 C ATOM 1165 CE LYS A 76 -17.033 7.184 0.947 1.00 1.00 C ATOM 1166 NZ LYS A 76 -16.135 7.748 1.992 1.00 1.00 N ATOM 0 H LYS A 76 -14.264 9.582 -4.488 1.00 1.00 H new ATOM 0 HA LYS A 76 -13.305 9.337 -1.679 1.00 1.00 H new ATOM 0 HB2 LYS A 76 -15.791 9.775 -1.986 1.00 1.00 H new ATOM 0 HB3 LYS A 76 -15.898 8.303 -2.931 1.00 1.00 H new ATOM 0 HG2 LYS A 76 -15.178 6.935 -1.014 1.00 1.00 H new ATOM 0 HG3 LYS A 76 -14.800 8.363 -0.071 1.00 1.00 H new ATOM 0 HD2 LYS A 76 -17.211 9.049 -0.131 1.00 1.00 H new ATOM 0 HD3 LYS A 76 -17.594 7.634 -1.091 1.00 1.00 H new ATOM 0 HE2 LYS A 76 -18.064 7.182 1.301 1.00 1.00 H new ATOM 0 HE3 LYS A 76 -16.764 6.148 0.742 1.00 1.00 H new ATOM 0 HZ1 LYS A 76 -16.626 7.747 2.909 1.00 1.00 H new ATOM 0 HZ2 LYS A 76 -15.274 7.168 2.060 1.00 1.00 H new ATOM 0 HZ3 LYS A 76 -15.877 8.723 1.738 1.00 1.00 H new ATOM 1180 N ILE A 77 -12.885 6.843 -1.832 1.00 1.00 N ATOM 1181 CA ILE A 77 -12.291 5.508 -1.996 1.00 1.00 C ATOM 1182 C ILE A 77 -13.342 4.438 -1.747 1.00 1.00 C ATOM 1183 O ILE A 77 -14.306 4.652 -1.011 1.00 1.00 O ATOM 1184 CB ILE A 77 -11.120 5.334 -1.011 1.00 1.00 C ATOM 1185 CG1 ILE A 77 -10.428 3.978 -1.257 1.00 1.00 C ATOM 1186 CG2 ILE A 77 -11.629 5.405 0.442 1.00 1.00 C ATOM 1187 CD1 ILE A 77 -9.134 3.902 -0.440 1.00 1.00 C ATOM 0 H ILE A 77 -12.966 7.148 -0.862 1.00 1.00 H new ATOM 0 HA ILE A 77 -11.918 5.406 -3.015 1.00 1.00 H new ATOM 0 HB ILE A 77 -10.403 6.139 -1.172 1.00 1.00 H new ATOM 0 HG12 ILE A 77 -11.095 3.163 -0.977 1.00 1.00 H new ATOM 0 HG13 ILE A 77 -10.207 3.859 -2.318 1.00 1.00 H new ATOM 0 HG21 ILE A 77 -10.791 5.280 1.128 1.00 1.00 H new ATOM 0 HG22 ILE A 77 -12.099 6.373 0.616 1.00 1.00 H new ATOM 0 HG23 ILE A 77 -12.357 4.612 0.612 1.00 1.00 H new ATOM 0 HD11 ILE A 77 -8.648 2.942 -0.617 1.00 1.00 H new ATOM 0 HD12 ILE A 77 -8.465 4.708 -0.742 1.00 1.00 H new ATOM 0 HD13 ILE A 77 -9.367 4.001 0.620 1.00 1.00 H new ATOM 1199 N VAL A 78 -13.164 3.272 -2.357 1.00 1.00 N ATOM 1200 CA VAL A 78 -14.109 2.153 -2.196 1.00 1.00 C ATOM 1201 C VAL A 78 -13.497 1.053 -1.349 1.00 1.00 C ATOM 1202 O VAL A 78 -14.118 0.575 -0.400 1.00 1.00 O ATOM 1203 CB VAL A 78 -14.512 1.602 -3.571 1.00 1.00 C ATOM 1204 CG1 VAL A 78 -15.471 0.405 -3.403 1.00 1.00 C ATOM 1205 CG2 VAL A 78 -15.223 2.711 -4.346 1.00 1.00 C ATOM 0 H VAL A 78 -12.375 3.068 -2.971 1.00 1.00 H new ATOM 0 HA VAL A 78 -15.000 2.522 -1.687 1.00 1.00 H new ATOM 0 HB VAL A 78 -13.623 1.269 -4.107 1.00 1.00 H new ATOM 0 HG11 VAL A 78 -15.750 0.022 -4.385 1.00 1.00 H new ATOM 0 HG12 VAL A 78 -14.975 -0.382 -2.834 1.00 1.00 H new ATOM 0 HG13 VAL A 78 -16.366 0.728 -2.871 1.00 1.00 H new ATOM 0 HG21 VAL A 78 -15.517 2.338 -5.327 1.00 1.00 H new ATOM 0 HG22 VAL A 78 -16.110 3.028 -3.797 1.00 1.00 H new ATOM 0 HG23 VAL A 78 -14.549 3.559 -4.467 1.00 1.00 H new ATOM 1215 N GLU A 79 -12.279 0.626 -1.669 1.00 1.00 N ATOM 1216 CA GLU A 79 -11.618 -0.431 -0.913 1.00 1.00 C ATOM 1217 C GLU A 79 -10.233 -0.716 -1.490 1.00 1.00 C ATOM 1218 O GLU A 79 -9.753 -0.051 -2.406 1.00 1.00 O ATOM 1219 CB GLU A 79 -12.482 -1.737 -0.903 1.00 1.00 C ATOM 1220 CG GLU A 79 -12.907 -2.108 0.528 1.00 1.00 C ATOM 1221 CD GLU A 79 -13.772 -3.365 0.510 1.00 1.00 C ATOM 1222 OE1 GLU A 79 -13.807 -4.031 -0.513 1.00 1.00 O ATOM 1223 OE2 GLU A 79 -14.391 -3.643 1.524 1.00 1.00 O ATOM 0 H GLU A 79 -11.731 0.996 -2.446 1.00 1.00 H new ATOM 0 HA GLU A 79 -11.504 -0.089 0.116 1.00 1.00 H new ATOM 0 HB2 GLU A 79 -13.367 -1.596 -1.524 1.00 1.00 H new ATOM 0 HB3 GLU A 79 -11.913 -2.557 -1.341 1.00 1.00 H new ATOM 0 HG2 GLU A 79 -12.025 -2.273 1.146 1.00 1.00 H new ATOM 0 HG3 GLU A 79 -13.460 -1.283 0.977 1.00 1.00 H new ATOM 1230 N ILE A 80 -9.580 -1.723 -0.922 1.00 1.00 N ATOM 1231 CA ILE A 80 -8.234 -2.132 -1.340 1.00 1.00 C ATOM 1232 C ILE A 80 -8.216 -3.650 -1.581 1.00 1.00 C ATOM 1233 O ILE A 80 -9.134 -4.382 -1.214 1.00 1.00 O ATOM 1234 CB ILE A 80 -7.193 -1.748 -0.238 1.00 1.00 C ATOM 1235 CG1 ILE A 80 -7.596 -0.419 0.442 1.00 1.00 C ATOM 1236 CG2 ILE A 80 -5.796 -1.578 -0.862 1.00 1.00 C ATOM 1237 CD1 ILE A 80 -6.618 -0.081 1.577 1.00 1.00 C ATOM 0 H ILE A 80 -9.963 -2.282 -0.159 1.00 1.00 H new ATOM 0 HA ILE A 80 -7.968 -1.618 -2.264 1.00 1.00 H new ATOM 0 HB ILE A 80 -7.172 -2.548 0.502 1.00 1.00 H new ATOM 0 HG12 ILE A 80 -7.602 0.386 -0.293 1.00 1.00 H new ATOM 0 HG13 ILE A 80 -8.609 -0.498 0.837 1.00 1.00 H new ATOM 0 HG21 ILE A 80 -5.080 -1.311 -0.085 1.00 1.00 H new ATOM 0 HG22 ILE A 80 -5.490 -2.514 -1.330 1.00 1.00 H new ATOM 0 HG23 ILE A 80 -5.827 -0.789 -1.614 1.00 1.00 H new ATOM 0 HD11 ILE A 80 -6.915 0.857 2.046 1.00 1.00 H new ATOM 0 HD12 ILE A 80 -6.633 -0.879 2.320 1.00 1.00 H new ATOM 0 HD13 ILE A 80 -5.611 0.019 1.172 1.00 1.00 H new ATOM 1249 N SER A 81 -7.146 -4.127 -2.209 1.00 1.00 N ATOM 1250 CA SER A 81 -7.033 -5.563 -2.471 1.00 1.00 C ATOM 1251 C SER A 81 -5.593 -5.949 -2.911 1.00 1.00 C ATOM 1252 O SER A 81 -5.230 -5.657 -4.051 1.00 1.00 O ATOM 1253 CB SER A 81 -8.029 -5.973 -3.561 1.00 1.00 C ATOM 1254 OG SER A 81 -7.823 -7.343 -3.869 1.00 1.00 O ATOM 0 H SER A 81 -6.364 -3.562 -2.539 1.00 1.00 H new ATOM 0 HA SER A 81 -7.259 -6.091 -1.545 1.00 1.00 H new ATOM 0 HB2 SER A 81 -9.051 -5.811 -3.220 1.00 1.00 H new ATOM 0 HB3 SER A 81 -7.890 -5.360 -4.451 1.00 1.00 H new ATOM 0 HG SER A 81 -8.455 -7.620 -4.565 1.00 1.00 H new ATOM 1260 N PRO A 82 -4.802 -6.578 -2.087 1.00 1.00 N ATOM 1261 CA PRO A 82 -5.146 -6.983 -0.677 1.00 1.00 C ATOM 1262 C PRO A 82 -5.439 -5.759 0.206 1.00 1.00 C ATOM 1263 O PRO A 82 -5.490 -4.618 -0.252 1.00 1.00 O ATOM 1264 CB PRO A 82 -3.893 -7.763 -0.177 1.00 1.00 C ATOM 1265 CG PRO A 82 -3.138 -8.126 -1.426 1.00 1.00 C ATOM 1266 CD PRO A 82 -3.420 -6.992 -2.421 1.00 1.00 C ATOM 0 HA PRO A 82 -6.051 -7.590 -0.633 1.00 1.00 H new ATOM 0 HB2 PRO A 82 -3.285 -7.149 0.488 1.00 1.00 H new ATOM 0 HB3 PRO A 82 -4.179 -8.653 0.384 1.00 1.00 H new ATOM 0 HG2 PRO A 82 -2.070 -8.216 -1.227 1.00 1.00 H new ATOM 0 HG3 PRO A 82 -3.471 -9.086 -1.821 1.00 1.00 H new ATOM 0 HD2 PRO A 82 -2.715 -6.169 -2.303 1.00 1.00 H new ATOM 0 HD3 PRO A 82 -3.341 -7.334 -3.453 1.00 1.00 H new ATOM 1274 N ARG A 83 -5.627 -6.006 1.499 1.00 1.00 N ATOM 1275 CA ARG A 83 -5.908 -4.929 2.466 1.00 1.00 C ATOM 1276 C ARG A 83 -4.802 -4.889 3.503 1.00 1.00 C ATOM 1277 O ARG A 83 -4.557 -3.866 4.144 1.00 1.00 O ATOM 1278 CB ARG A 83 -7.256 -5.181 3.147 1.00 1.00 C ATOM 1279 CG ARG A 83 -8.381 -5.176 2.098 1.00 1.00 C ATOM 1280 CD ARG A 83 -9.708 -5.507 2.783 1.00 1.00 C ATOM 1281 NE ARG A 83 -9.675 -6.882 3.266 1.00 1.00 N ATOM 1282 CZ ARG A 83 -10.611 -7.366 4.079 1.00 1.00 C ATOM 1283 NH1 ARG A 83 -11.599 -6.607 4.484 1.00 1.00 N ATOM 1284 NH2 ARG A 83 -10.535 -8.604 4.480 1.00 1.00 N ATOM 0 H ARG A 83 -5.592 -6.939 1.909 1.00 1.00 H new ATOM 0 HA ARG A 83 -5.951 -3.972 1.945 1.00 1.00 H new ATOM 0 HB2 ARG A 83 -7.237 -6.138 3.668 1.00 1.00 H new ATOM 0 HB3 ARG A 83 -7.443 -4.413 3.898 1.00 1.00 H new ATOM 0 HG2 ARG A 83 -8.440 -4.200 1.615 1.00 1.00 H new ATOM 0 HG3 ARG A 83 -8.169 -5.906 1.317 1.00 1.00 H new ATOM 0 HD2 ARG A 83 -9.882 -4.823 3.613 1.00 1.00 H new ATOM 0 HD3 ARG A 83 -10.534 -5.376 2.083 1.00 1.00 H new ATOM 0 HE ARG A 83 -8.912 -7.491 2.972 1.00 1.00 H new ATOM 0 HH11 ARG A 83 -11.656 -5.636 4.176 1.00 1.00 H new ATOM 0 HH12 ARG A 83 -12.312 -6.987 5.107 1.00 1.00 H new ATOM 0 HH21 ARG A 83 -9.762 -9.194 4.171 1.00 1.00 H new ATOM 0 HH22 ARG A 83 -11.248 -8.983 5.103 1.00 1.00 H new ATOM 1298 N VAL A 84 -4.116 -6.014 3.679 1.00 1.00 N ATOM 1299 CA VAL A 84 -3.011 -6.139 4.631 1.00 1.00 C ATOM 1300 C VAL A 84 -1.945 -7.067 4.045 1.00 1.00 C ATOM 1301 O VAL A 84 -2.251 -7.978 3.274 1.00 1.00 O ATOM 1302 CB VAL A 84 -3.534 -6.706 5.962 1.00 1.00 C ATOM 1303 CG1 VAL A 84 -2.451 -6.573 7.042 1.00 1.00 C ATOM 1304 CG2 VAL A 84 -4.794 -5.934 6.391 1.00 1.00 C ATOM 0 H VAL A 84 -4.310 -6.872 3.163 1.00 1.00 H new ATOM 0 HA VAL A 84 -2.572 -5.159 4.816 1.00 1.00 H new ATOM 0 HB VAL A 84 -3.783 -7.759 5.833 1.00 1.00 H new ATOM 0 HG11 VAL A 84 -2.825 -6.976 7.984 1.00 1.00 H new ATOM 0 HG12 VAL A 84 -1.563 -7.127 6.737 1.00 1.00 H new ATOM 0 HG13 VAL A 84 -2.195 -5.522 7.173 1.00 1.00 H new ATOM 0 HG21 VAL A 84 -5.164 -6.336 7.334 1.00 1.00 H new ATOM 0 HG22 VAL A 84 -4.549 -4.879 6.518 1.00 1.00 H new ATOM 0 HG23 VAL A 84 -5.563 -6.038 5.626 1.00 1.00 H new ATOM 1314 N VAL A 85 -0.688 -6.836 4.409 1.00 1.00 N ATOM 1315 CA VAL A 85 0.425 -7.663 3.896 1.00 1.00 C ATOM 1316 C VAL A 85 1.407 -8.030 5.003 1.00 1.00 C ATOM 1317 O VAL A 85 1.506 -7.359 6.029 1.00 1.00 O ATOM 1318 CB VAL A 85 1.160 -6.906 2.781 1.00 1.00 C ATOM 1319 CG1 VAL A 85 0.202 -6.663 1.612 1.00 1.00 C ATOM 1320 CG2 VAL A 85 1.667 -5.560 3.307 1.00 1.00 C ATOM 0 H VAL A 85 -0.405 -6.094 5.049 1.00 1.00 H new ATOM 0 HA VAL A 85 0.004 -8.587 3.501 1.00 1.00 H new ATOM 0 HB VAL A 85 2.008 -7.503 2.445 1.00 1.00 H new ATOM 0 HG11 VAL A 85 0.723 -6.125 0.820 1.00 1.00 H new ATOM 0 HG12 VAL A 85 -0.154 -7.619 1.228 1.00 1.00 H new ATOM 0 HG13 VAL A 85 -0.647 -6.071 1.954 1.00 1.00 H new ATOM 0 HG21 VAL A 85 2.187 -5.030 2.509 1.00 1.00 H new ATOM 0 HG22 VAL A 85 0.823 -4.962 3.650 1.00 1.00 H new ATOM 0 HG23 VAL A 85 2.353 -5.729 4.137 1.00 1.00 H new ATOM 1330 N THR A 86 2.140 -9.115 4.772 1.00 1.00 N ATOM 1331 CA THR A 86 3.136 -9.616 5.739 1.00 1.00 C ATOM 1332 C THR A 86 4.552 -9.385 5.220 1.00 1.00 C ATOM 1333 O THR A 86 4.946 -9.899 4.174 1.00 1.00 O ATOM 1334 CB THR A 86 2.907 -11.116 5.964 1.00 1.00 C ATOM 1335 OG1 THR A 86 1.571 -11.327 6.405 1.00 1.00 O ATOM 1336 CG2 THR A 86 3.883 -11.646 7.023 1.00 1.00 C ATOM 0 H THR A 86 2.069 -9.673 3.921 1.00 1.00 H new ATOM 0 HA THR A 86 3.021 -9.077 6.679 1.00 1.00 H new ATOM 0 HB THR A 86 3.076 -11.647 5.027 1.00 1.00 H new ATOM 0 HG1 THR A 86 1.299 -10.589 6.989 1.00 1.00 H new ATOM 0 HG21 THR A 86 3.712 -12.712 7.175 1.00 1.00 H new ATOM 0 HG22 THR A 86 4.907 -11.488 6.686 1.00 1.00 H new ATOM 0 HG23 THR A 86 3.724 -11.116 7.962 1.00 1.00 H new ATOM 1344 N LEU A 87 5.322 -8.606 5.973 1.00 1.00 N ATOM 1345 CA LEU A 87 6.713 -8.294 5.607 1.00 1.00 C ATOM 1346 C LEU A 87 7.660 -8.716 6.726 1.00 1.00 C ATOM 1347 O LEU A 87 7.501 -8.324 7.882 1.00 1.00 O ATOM 1348 CB LEU A 87 6.856 -6.787 5.354 1.00 1.00 C ATOM 1349 CG LEU A 87 5.828 -6.318 4.300 1.00 1.00 C ATOM 1350 CD1 LEU A 87 5.899 -4.789 4.179 1.00 1.00 C ATOM 1351 CD2 LEU A 87 6.110 -6.962 2.919 1.00 1.00 C ATOM 0 H LEU A 87 5.012 -8.175 6.844 1.00 1.00 H new ATOM 0 HA LEU A 87 6.969 -8.841 4.700 1.00 1.00 H new ATOM 0 HB2 LEU A 87 6.707 -6.240 6.285 1.00 1.00 H new ATOM 0 HB3 LEU A 87 7.866 -6.564 5.011 1.00 1.00 H new ATOM 0 HG LEU A 87 4.833 -6.626 4.621 1.00 1.00 H new ATOM 0 HD11 LEU A 87 5.177 -4.449 3.437 1.00 1.00 H new ATOM 0 HD12 LEU A 87 5.669 -4.337 5.144 1.00 1.00 H new ATOM 0 HD13 LEU A 87 6.902 -4.495 3.870 1.00 1.00 H new ATOM 0 HD21 LEU A 87 5.371 -6.614 2.197 1.00 1.00 H new ATOM 0 HD22 LEU A 87 7.107 -6.679 2.582 1.00 1.00 H new ATOM 0 HD23 LEU A 87 6.050 -8.047 3.005 1.00 1.00 H new ATOM 1363 N GLN A 88 8.659 -9.516 6.369 1.00 1.00 N ATOM 1364 CA GLN A 88 9.636 -9.997 7.345 1.00 1.00 C ATOM 1365 C GLN A 88 10.727 -8.959 7.553 1.00 1.00 C ATOM 1366 O GLN A 88 11.303 -8.429 6.602 1.00 1.00 O ATOM 1367 CB GLN A 88 10.250 -11.305 6.848 1.00 1.00 C ATOM 1368 CG GLN A 88 9.208 -12.417 6.906 1.00 1.00 C ATOM 1369 CD GLN A 88 9.798 -13.709 6.360 1.00 1.00 C ATOM 1370 OE1 GLN A 88 10.974 -13.755 5.996 1.00 1.00 O ATOM 1371 NE2 GLN A 88 9.046 -14.771 6.286 1.00 1.00 N ATOM 0 H GLN A 88 8.815 -9.845 5.416 1.00 1.00 H new ATOM 0 HA GLN A 88 9.134 -10.170 8.297 1.00 1.00 H new ATOM 0 HB2 GLN A 88 10.610 -11.184 5.826 1.00 1.00 H new ATOM 0 HB3 GLN A 88 11.112 -11.569 7.460 1.00 1.00 H new ATOM 0 HG2 GLN A 88 8.877 -12.564 7.934 1.00 1.00 H new ATOM 0 HG3 GLN A 88 8.329 -12.135 6.326 1.00 1.00 H new ATOM 0 HE21 GLN A 88 8.073 -14.729 6.588 1.00 1.00 H new ATOM 0 HE22 GLN A 88 9.431 -15.644 5.926 1.00 1.00 H new ATOM 1380 N LEU A 89 11.002 -8.659 8.818 1.00 1.00 N ATOM 1381 CA LEU A 89 12.029 -7.672 9.178 1.00 1.00 C ATOM 1382 C LEU A 89 13.280 -8.371 9.671 1.00 1.00 C ATOM 1383 O LEU A 89 13.224 -9.321 10.452 1.00 1.00 O ATOM 1384 CB LEU A 89 11.476 -6.703 10.266 1.00 1.00 C ATOM 1385 CG LEU A 89 11.217 -5.292 9.681 1.00 1.00 C ATOM 1386 CD1 LEU A 89 12.542 -4.646 9.169 1.00 1.00 C ATOM 1387 CD2 LEU A 89 10.155 -5.378 8.557 1.00 1.00 C ATOM 0 H LEU A 89 10.530 -9.083 9.617 1.00 1.00 H new ATOM 0 HA LEU A 89 12.289 -7.091 8.293 1.00 1.00 H new ATOM 0 HB2 LEU A 89 10.550 -7.105 10.677 1.00 1.00 H new ATOM 0 HB3 LEU A 89 12.187 -6.633 11.090 1.00 1.00 H new ATOM 0 HG LEU A 89 10.831 -4.647 10.471 1.00 1.00 H new ATOM 0 HD11 LEU A 89 12.331 -3.656 8.764 1.00 1.00 H new ATOM 0 HD12 LEU A 89 13.247 -4.557 9.996 1.00 1.00 H new ATOM 0 HD13 LEU A 89 12.975 -5.273 8.389 1.00 1.00 H new ATOM 0 HD21 LEU A 89 9.976 -4.383 8.149 1.00 1.00 H new ATOM 0 HD22 LEU A 89 10.515 -6.036 7.766 1.00 1.00 H new ATOM 0 HD23 LEU A 89 9.225 -5.776 8.964 1.00 1.00 H new ATOM 1399 N GLU A 90 14.430 -7.895 9.206 1.00 1.00 N ATOM 1400 CA GLU A 90 15.707 -8.469 9.613 1.00 1.00 C ATOM 1401 C GLU A 90 16.744 -7.371 9.882 1.00 1.00 C ATOM 1402 O GLU A 90 16.844 -6.372 9.171 1.00 1.00 O ATOM 1403 CB GLU A 90 16.216 -9.414 8.516 1.00 1.00 C ATOM 1404 CG GLU A 90 17.426 -10.217 9.024 1.00 1.00 C ATOM 1405 CD GLU A 90 16.989 -11.216 10.098 1.00 1.00 C ATOM 1406 OE1 GLU A 90 15.793 -11.403 10.262 1.00 1.00 O ATOM 1407 OE2 GLU A 90 17.858 -11.785 10.737 1.00 1.00 O ATOM 0 H GLU A 90 14.504 -7.117 8.550 1.00 1.00 H new ATOM 0 HA GLU A 90 15.558 -9.027 10.538 1.00 1.00 H new ATOM 0 HB2 GLU A 90 15.420 -10.095 8.214 1.00 1.00 H new ATOM 0 HB3 GLU A 90 16.496 -8.840 7.633 1.00 1.00 H new ATOM 0 HG2 GLU A 90 17.894 -10.747 8.194 1.00 1.00 H new ATOM 0 HG3 GLU A 90 18.175 -9.539 9.432 1.00 1.00 H new ATOM 1414 N HIS A 91 17.531 -7.591 10.930 1.00 1.00 N ATOM 1415 CA HIS A 91 18.576 -6.646 11.317 1.00 1.00 C ATOM 1416 C HIS A 91 19.678 -6.599 10.260 1.00 1.00 C ATOM 1417 O HIS A 91 19.742 -7.447 9.369 1.00 1.00 O ATOM 1418 CB HIS A 91 19.164 -7.060 12.668 1.00 1.00 C ATOM 1419 CG HIS A 91 19.617 -8.493 12.600 1.00 1.00 C ATOM 1420 ND1 HIS A 91 20.909 -8.845 12.238 1.00 1.00 N ATOM 1421 CD2 HIS A 91 18.964 -9.675 12.850 1.00 1.00 C ATOM 1422 CE1 HIS A 91 20.990 -10.188 12.281 1.00 1.00 C ATOM 1423 NE2 HIS A 91 19.833 -10.743 12.649 1.00 1.00 N ATOM 0 H HIS A 91 17.466 -8.415 11.528 1.00 1.00 H new ATOM 0 HA HIS A 91 18.138 -5.651 11.400 1.00 1.00 H new ATOM 0 HB2 HIS A 91 20.004 -6.414 12.925 1.00 1.00 H new ATOM 0 HB3 HIS A 91 18.418 -6.940 13.453 1.00 1.00 H new ATOM 0 HD2 HIS A 91 17.932 -9.762 13.156 1.00 1.00 H new ATOM 0 HE1 HIS A 91 21.883 -10.749 12.046 1.00 1.00 H new ATOM 0 HE2 HIS A 91 19.630 -11.736 12.759 1.00 1.00 H new ATOM 1432 N HIS A 92 20.548 -5.600 10.360 1.00 1.00 N ATOM 1433 CA HIS A 92 21.656 -5.429 9.405 1.00 1.00 C ATOM 1434 C HIS A 92 22.917 -4.935 10.113 1.00 1.00 C ATOM 1435 O HIS A 92 22.877 -4.463 11.248 1.00 1.00 O ATOM 1436 CB HIS A 92 21.247 -4.426 8.320 1.00 1.00 C ATOM 1437 CG HIS A 92 22.337 -4.314 7.286 1.00 1.00 C ATOM 1438 ND1 HIS A 92 23.294 -3.312 7.326 1.00 1.00 N ATOM 1439 CD2 HIS A 92 22.633 -5.070 6.178 1.00 1.00 C ATOM 1440 CE1 HIS A 92 24.112 -3.489 6.273 1.00 1.00 C ATOM 1441 NE2 HIS A 92 23.754 -4.547 5.540 1.00 1.00 N ATOM 0 H HIS A 92 20.514 -4.891 11.092 1.00 1.00 H new ATOM 0 HA HIS A 92 21.874 -6.396 8.951 1.00 1.00 H new ATOM 0 HB2 HIS A 92 20.318 -4.746 7.848 1.00 1.00 H new ATOM 0 HB3 HIS A 92 21.057 -3.450 8.768 1.00 1.00 H new ATOM 0 HD2 HIS A 92 22.080 -5.938 5.852 1.00 1.00 H new ATOM 0 HE1 HIS A 92 24.955 -2.853 6.048 1.00 1.00 H new ATOM 0 HE2 HIS A 92 24.205 -4.896 4.695 1.00 1.00 H new ATOM 1450 N HIS A 93 24.053 -5.048 9.431 1.00 1.00 N ATOM 1451 CA HIS A 93 25.334 -4.619 9.989 1.00 1.00 C ATOM 1452 C HIS A 93 25.586 -5.304 11.333 1.00 1.00 C ATOM 1453 O HIS A 93 25.147 -4.834 12.382 1.00 1.00 O ATOM 1454 CB HIS A 93 25.349 -3.094 10.163 1.00 1.00 C ATOM 1455 CG HIS A 93 26.701 -2.651 10.655 1.00 1.00 C ATOM 1456 ND1 HIS A 93 27.823 -2.660 9.842 1.00 1.00 N ATOM 1457 CD2 HIS A 93 27.125 -2.181 11.875 1.00 1.00 C ATOM 1458 CE1 HIS A 93 28.858 -2.211 10.574 1.00 1.00 C ATOM 1459 NE2 HIS A 93 28.487 -1.905 11.821 1.00 1.00 N ATOM 0 H HIS A 93 24.114 -5.434 8.489 1.00 1.00 H new ATOM 0 HA HIS A 93 26.128 -4.904 9.299 1.00 1.00 H new ATOM 0 HB2 HIS A 93 25.120 -2.608 9.215 1.00 1.00 H new ATOM 0 HB3 HIS A 93 24.577 -2.792 10.871 1.00 1.00 H new ATOM 0 HD1 HIS A 93 27.858 -2.954 8.866 1.00 1.00 H new ATOM 0 HD2 HIS A 93 26.497 -2.047 12.743 1.00 1.00 H new ATOM 0 HE1 HIS A 93 29.866 -2.110 10.200 1.00 1.00 H new ATOM 1468 N HIS A 94 26.297 -6.425 11.294 1.00 1.00 N ATOM 1469 CA HIS A 94 26.601 -7.180 12.507 1.00 1.00 C ATOM 1470 C HIS A 94 27.466 -6.364 13.463 1.00 1.00 C ATOM 1471 O HIS A 94 28.666 -6.605 13.592 1.00 1.00 O ATOM 1472 CB HIS A 94 27.330 -8.477 12.145 1.00 1.00 C ATOM 1473 CG HIS A 94 26.445 -9.327 11.273 1.00 1.00 C ATOM 1474 ND1 HIS A 94 25.379 -10.049 11.785 1.00 1.00 N ATOM 1475 CD2 HIS A 94 26.455 -9.579 9.923 1.00 1.00 C ATOM 1476 CE1 HIS A 94 24.797 -10.696 10.758 1.00 1.00 C ATOM 1477 NE2 HIS A 94 25.415 -10.444 9.601 1.00 1.00 N ATOM 0 H HIS A 94 26.674 -6.832 10.438 1.00 1.00 H new ATOM 0 HA HIS A 94 25.659 -7.411 13.004 1.00 1.00 H new ATOM 0 HB2 HIS A 94 28.260 -8.250 11.625 1.00 1.00 H new ATOM 0 HB3 HIS A 94 27.596 -9.022 13.051 1.00 1.00 H new ATOM 0 HD2 HIS A 94 27.163 -9.168 9.219 1.00 1.00 H new ATOM 0 HE1 HIS A 94 23.936 -11.340 10.857 1.00 1.00 H new ATOM 0 HE2 HIS A 94 25.175 -10.808 8.679 1.00 1.00 H new ATOM 1486 N HIS A 95 26.853 -5.399 14.139 1.00 1.00 N ATOM 1487 CA HIS A 95 27.575 -4.553 15.090 1.00 1.00 C ATOM 1488 C HIS A 95 28.809 -3.940 14.435 1.00 1.00 C ATOM 1489 O HIS A 95 29.026 -4.103 13.234 1.00 1.00 O ATOM 1490 CB HIS A 95 28.000 -5.379 16.308 1.00 1.00 C ATOM 1491 CG HIS A 95 26.778 -5.890 17.022 1.00 1.00 C ATOM 1492 ND1 HIS A 95 26.371 -7.213 16.940 1.00 1.00 N ATOM 1493 CD2 HIS A 95 25.860 -5.264 17.828 1.00 1.00 C ATOM 1494 CE1 HIS A 95 25.253 -7.339 17.679 1.00 1.00 C ATOM 1495 NE2 HIS A 95 24.899 -6.180 18.242 1.00 1.00 N ATOM 0 H HIS A 95 25.861 -5.181 14.049 1.00 1.00 H new ATOM 0 HA HIS A 95 26.910 -3.750 15.409 1.00 1.00 H new ATOM 0 HB2 HIS A 95 28.626 -6.214 15.993 1.00 1.00 H new ATOM 0 HB3 HIS A 95 28.599 -4.768 16.983 1.00 1.00 H new ATOM 0 HD2 HIS A 95 25.881 -4.219 18.099 1.00 1.00 H new ATOM 0 HE1 HIS A 95 24.709 -8.264 17.802 1.00 1.00 H new ATOM 0 HE2 HIS A 95 24.096 -6.005 18.846 1.00 1.00 H new ATOM 1504 N HIS A 96 29.611 -3.237 15.227 1.00 1.00 N ATOM 1505 CA HIS A 96 30.823 -2.602 14.732 1.00 1.00 C ATOM 1506 C HIS A 96 31.820 -3.654 14.254 1.00 1.00 C ATOM 1507 O HIS A 96 32.412 -3.448 13.207 1.00 1.00 O ATOM 1508 CB HIS A 96 31.445 -1.765 15.853 1.00 1.00 C ATOM 1509 CG HIS A 96 32.658 -1.039 15.342 1.00 1.00 C ATOM 1510 ND1 HIS A 96 33.945 -1.464 15.630 1.00 1.00 N ATOM 1511 CD2 HIS A 96 32.798 0.083 14.564 1.00 1.00 C ATOM 1512 CE1 HIS A 96 34.796 -0.610 15.035 1.00 1.00 C ATOM 1513 NE2 HIS A 96 34.150 0.352 14.371 1.00 1.00 N ATOM 1514 OXT HIS A 96 31.981 -4.647 14.943 1.00 1.00 O ATOM 0 H HIS A 96 29.440 -3.093 16.222 1.00 1.00 H new ATOM 0 HA HIS A 96 30.571 -1.959 13.889 1.00 1.00 H new ATOM 0 HB2 HIS A 96 30.715 -1.049 16.231 1.00 1.00 H new ATOM 0 HB3 HIS A 96 31.722 -2.409 16.688 1.00 1.00 H new ATOM 0 HD2 HIS A 96 31.984 0.668 14.163 1.00 1.00 H new ATOM 0 HE1 HIS A 96 35.872 -0.692 15.088 1.00 1.00 H new ATOM 0 HE2 HIS A 96 34.559 1.119 13.837 1.00 1.00 H new TER 1523 HIS A 96