USER MOD reduce.3.24.130724 H: found=0, std=0, add=1078, rem=0, adj=36 USER MOD reduce.3.24.130724 removed 1072 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 67 TYR OH : rot 128:sc= 1.33 USER MOD Set 1.2: A 129 HIS : no HD1:sc= -0.246 K(o=1.6,f=-6.4!) USER MOD Set 1.3: A 130 SER OG : rot -15:sc= 0.503 USER MOD Set 2.1: A 40 THR OG1 : rot 26:sc= 2.28 USER MOD Set 2.2: A 127 SER OG : rot -49:sc= 1.13 USER MOD Set 3.1: A 70 GLN : amide:sc= 0.0812 K(o=0.16,f=2.3) USER MOD Set 3.2: A 71 THR OG1 : rot 180:sc= 0 USER MOD Set 3.3: A 120 SER OG : rot 180:sc= 0.081 USER MOD Set 4.1: A 52 CYS SG : rot 117:sc= -0.379! USER MOD Set 4.2: A 54 HIS : no HD1:sc= -2.29! K(o=-1.4!,f=3.3) USER MOD Set 4.3: A 113 TYR OH : rot 10:sc= 1.23 USER MOD Set 5.1: A 56 HIS : no HD1:sc= 0 X(o=-0.0046,f=0.4) USER MOD Set 5.2: A 139 SER OG : rot 180:sc=-0.00459 USER MOD Set 6.1: A 41 THR OG1 : rot 149:sc= 1.22 USER MOD Set 6.2: A 47 GLN : amide:sc= 1.09 K(o=2.3,f=-5.2!) USER MOD Set 7.1: A 19 THR OG1 : rot 180:sc= 0 USER MOD Set 7.2: A 44 MET CE :methyl 165:sc= -0.0506 (180deg=-0.412) USER MOD Set 8.1: A 25 HIS : no HE2:sc= 0.805 K(o=0.7,f=-3.2!) USER MOD Set 8.2: A 37 THR OG1 : rot 165:sc= -0.108 USER MOD Set 9.1: A 20 SER OG : rot -87:sc= 0.127 USER MOD Set 9.2: A 42 THR OG1 : rot 180:sc= 0.019 USER MOD Single : A 3 LYS NZ :NH3+ 169:sc= 1.16 (180deg=0.588) USER MOD Single : A 7 CYS SG : rot 172:sc= -0.994 USER MOD Single : A 9 SER OG : rot -6:sc= 0.111 USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 13 SER OG : rot 169:sc= 1.17 USER MOD Single : A 21 SER OG : rot 180:sc= -0.057 USER MOD Single : A 24 LYS NZ :NH3+ 175:sc= 0.824 (180deg=0.687) USER MOD Single : A 29 ASN : amide:sc= -0.177 X(o=-0.18,f=-0.082) USER MOD Single : A 34 ASN : amide:sc= 0.455 K(o=0.45,f=-0.17) USER MOD Single : A 55 LYS NZ :NH3+ -146:sc= 2.17 (180deg=0.883) USER MOD Single : A 65 GLN : amide:sc= -1.26 X(o=-1.3,f=-1.3) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 73 LYS NZ :NH3+ -141:sc= 0.0173 (180deg=-0.99) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 SER OG : rot 115:sc= 1.01 USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 SER OG : rot -41:sc= 0.72 USER MOD Single : A 80 LYS NZ :NH3+ -177:sc= 1.17 (180deg=1.12) USER MOD Single : A 87 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 91 LYS NZ :NH3+ 163:sc= -0.637 (180deg=-1.49) USER MOD Single : A 95 HIS : no HD1:sc= -0.617 K(o=-0.62,f=-2.9!) USER MOD Single : A 96 THR OG1 : rot 144:sc= 1.22 USER MOD Single : A 99 GLN : amide:sc= -0.228 X(o=-0.23,f=-0.29) USER MOD Single : A 101 GLN : amide:sc= -5.05! C(o=-5!,f=-3.6!) USER MOD Single : A 102 ASN : amide:sc= -1.65 K(o=-1.6,f=-5.9!) USER MOD Single : A 108 HIS : no HD1:sc= 0 X(o=0,f=-0.32) USER MOD Single : A 110 SER OG : rot 180:sc=-0.00268 USER MOD Single : A 112 THR OG1 : rot 180:sc= -1.68! USER MOD Single : A 124 HIS : no HD1:sc= 0 X(o=0,f=-0.066) USER MOD Single : A 132 SER OG : rot -146:sc= 1.26 USER MOD Single : A 136 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 18 N ARG A 2 2.863 -12.499 6.255 1.00 0.00 N ATOM 19 CA ARG A 2 1.900 -12.603 5.150 1.00 0.00 C ATOM 20 C ARG A 2 1.499 -11.225 4.618 1.00 0.00 C ATOM 21 O ARG A 2 0.364 -11.013 4.196 1.00 0.00 O ATOM 22 CB ARG A 2 0.650 -13.377 5.590 1.00 0.00 C ATOM 23 CG ARG A 2 0.946 -14.762 6.146 1.00 0.00 C ATOM 24 CD ARG A 2 -0.333 -15.501 6.510 1.00 0.00 C ATOM 25 NE ARG A 2 -1.112 -14.788 7.520 1.00 0.00 N ATOM 26 CZ ARG A 2 -2.442 -14.818 7.592 1.00 0.00 C ATOM 27 NH1 ARG A 2 -3.145 -15.555 6.737 1.00 0.00 N ATOM 28 NH2 ARG A 2 -3.070 -14.119 8.526 1.00 0.00 N ATOM 0 HA ARG A 2 2.391 -13.148 4.344 1.00 0.00 H new ATOM 0 HB2 ARG A 2 0.124 -12.797 6.348 1.00 0.00 H new ATOM 0 HB3 ARG A 2 -0.023 -13.474 4.738 1.00 0.00 H new ATOM 0 HG2 ARG A 2 1.504 -15.340 5.409 1.00 0.00 H new ATOM 0 HG3 ARG A 2 1.580 -14.673 7.028 1.00 0.00 H new ATOM 0 HD2 ARG A 2 -0.940 -15.637 5.615 1.00 0.00 H new ATOM 0 HD3 ARG A 2 -0.084 -16.495 6.881 1.00 0.00 H new ATOM 0 HE ARG A 2 -0.607 -14.234 8.212 1.00 0.00 H new ATOM 0 HH11 ARG A 2 -2.666 -16.101 6.021 1.00 0.00 H new ATOM 0 HH12 ARG A 2 -4.163 -15.574 6.797 1.00 0.00 H new ATOM 0 HH21 ARG A 2 -2.535 -13.558 9.189 1.00 0.00 H new ATOM 0 HH22 ARG A 2 -4.088 -14.142 8.582 1.00 0.00 H new ATOM 42 N LYS A 3 2.447 -10.300 4.627 1.00 0.00 N ATOM 43 CA LYS A 3 2.204 -8.943 4.175 1.00 0.00 C ATOM 44 C LYS A 3 3.478 -8.409 3.540 1.00 0.00 C ATOM 45 O LYS A 3 4.488 -8.219 4.222 1.00 0.00 O ATOM 46 CB LYS A 3 1.776 -8.059 5.348 1.00 0.00 C ATOM 47 CG LYS A 3 0.918 -6.873 4.940 1.00 0.00 C ATOM 48 CD LYS A 3 0.593 -5.981 6.127 1.00 0.00 C ATOM 49 CE LYS A 3 1.784 -5.129 6.535 1.00 0.00 C ATOM 50 NZ LYS A 3 2.037 -4.030 5.564 1.00 0.00 N ATOM 0 H LYS A 3 3.401 -10.470 4.946 1.00 0.00 H new ATOM 0 HA LYS A 3 1.398 -8.936 3.441 1.00 0.00 H new ATOM 0 HB2 LYS A 3 1.224 -8.666 6.066 1.00 0.00 H new ATOM 0 HB3 LYS A 3 2.666 -7.693 5.859 1.00 0.00 H new ATOM 0 HG2 LYS A 3 1.439 -6.291 4.179 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -0.008 -7.231 4.489 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -0.248 -5.334 5.876 1.00 0.00 H new ATOM 0 HD3 LYS A 3 0.281 -6.597 6.970 1.00 0.00 H new ATOM 0 HE2 LYS A 3 1.607 -4.706 7.524 1.00 0.00 H new ATOM 0 HE3 LYS A 3 2.671 -5.758 6.612 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 2.729 -3.365 5.965 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 2.411 -4.428 4.679 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 1.148 -3.528 5.369 1.00 0.00 H new ATOM 64 N ILE A 4 3.428 -8.194 2.238 1.00 0.00 N ATOM 65 CA ILE A 4 4.618 -7.891 1.461 1.00 0.00 C ATOM 66 C ILE A 4 4.243 -7.088 0.216 1.00 0.00 C ATOM 67 O ILE A 4 3.160 -7.270 -0.337 1.00 0.00 O ATOM 68 CB ILE A 4 5.332 -9.207 1.061 1.00 0.00 C ATOM 69 CG1 ILE A 4 6.537 -8.940 0.153 1.00 0.00 C ATOM 70 CG2 ILE A 4 4.354 -10.166 0.391 1.00 0.00 C ATOM 71 CD1 ILE A 4 7.240 -10.202 -0.299 1.00 0.00 C ATOM 0 H ILE A 4 2.567 -8.224 1.691 1.00 0.00 H new ATOM 0 HA ILE A 4 5.298 -7.292 2.067 1.00 0.00 H new ATOM 0 HB ILE A 4 5.704 -9.672 1.974 1.00 0.00 H new ATOM 0 HG12 ILE A 4 6.206 -8.384 -0.724 1.00 0.00 H new ATOM 0 HG13 ILE A 4 7.248 -8.306 0.683 1.00 0.00 H new ATOM 0 HG21 ILE A 4 4.874 -11.084 0.118 1.00 0.00 H new ATOM 0 HG22 ILE A 4 3.543 -10.400 1.081 1.00 0.00 H new ATOM 0 HG23 ILE A 4 3.944 -9.700 -0.505 1.00 0.00 H new ATOM 0 HD11 ILE A 4 8.083 -9.940 -0.938 1.00 0.00 H new ATOM 0 HD12 ILE A 4 7.601 -10.749 0.572 1.00 0.00 H new ATOM 0 HD13 ILE A 4 6.543 -10.827 -0.856 1.00 0.00 H new ATOM 83 N ASP A 5 5.126 -6.186 -0.196 1.00 0.00 N ATOM 84 CA ASP A 5 4.905 -5.373 -1.388 1.00 0.00 C ATOM 85 C ASP A 5 5.083 -6.221 -2.644 1.00 0.00 C ATOM 86 O ASP A 5 6.195 -6.381 -3.144 1.00 0.00 O ATOM 87 CB ASP A 5 5.877 -4.185 -1.431 1.00 0.00 C ATOM 88 CG ASP A 5 5.680 -3.193 -0.298 1.00 0.00 C ATOM 89 OD1 ASP A 5 6.076 -3.494 0.848 1.00 0.00 O ATOM 90 OD2 ASP A 5 5.160 -2.091 -0.556 1.00 0.00 O ATOM 0 H ASP A 5 6.008 -5.998 0.281 1.00 0.00 H new ATOM 0 HA ASP A 5 3.885 -4.989 -1.349 1.00 0.00 H new ATOM 0 HB2 ASP A 5 6.899 -4.562 -1.398 1.00 0.00 H new ATOM 0 HB3 ASP A 5 5.759 -3.665 -2.382 1.00 0.00 H new ATOM 95 N LEU A 6 3.983 -6.762 -3.151 1.00 0.00 N ATOM 96 CA LEU A 6 4.032 -7.688 -4.277 1.00 0.00 C ATOM 97 C LEU A 6 4.229 -6.980 -5.612 1.00 0.00 C ATOM 98 O LEU A 6 4.285 -7.622 -6.657 1.00 0.00 O ATOM 99 CB LEU A 6 2.766 -8.550 -4.319 1.00 0.00 C ATOM 100 CG LEU A 6 2.583 -9.488 -3.122 1.00 0.00 C ATOM 101 CD1 LEU A 6 1.206 -10.131 -3.146 1.00 0.00 C ATOM 102 CD2 LEU A 6 3.667 -10.555 -3.112 1.00 0.00 C ATOM 0 H LEU A 6 3.044 -6.576 -2.800 1.00 0.00 H new ATOM 0 HA LEU A 6 4.901 -8.327 -4.121 1.00 0.00 H new ATOM 0 HB2 LEU A 6 1.899 -7.893 -4.383 1.00 0.00 H new ATOM 0 HB3 LEU A 6 2.781 -9.147 -5.231 1.00 0.00 H new ATOM 0 HG LEU A 6 2.668 -8.897 -2.210 1.00 0.00 H new ATOM 0 HD11 LEU A 6 1.099 -10.793 -2.287 1.00 0.00 H new ATOM 0 HD12 LEU A 6 0.441 -9.355 -3.104 1.00 0.00 H new ATOM 0 HD13 LEU A 6 1.089 -10.707 -4.064 1.00 0.00 H new ATOM 0 HD21 LEU A 6 3.522 -11.213 -2.255 1.00 0.00 H new ATOM 0 HD22 LEU A 6 3.612 -11.139 -4.031 1.00 0.00 H new ATOM 0 HD23 LEU A 6 4.645 -10.079 -3.043 1.00 0.00 H new ATOM 114 N CYS A 7 4.343 -5.664 -5.587 1.00 0.00 N ATOM 115 CA CYS A 7 4.540 -4.906 -6.815 1.00 0.00 C ATOM 116 C CYS A 7 6.017 -4.650 -7.084 1.00 0.00 C ATOM 117 O CYS A 7 6.377 -4.089 -8.115 1.00 0.00 O ATOM 118 CB CYS A 7 3.784 -3.582 -6.750 1.00 0.00 C ATOM 119 SG CYS A 7 1.998 -3.773 -6.575 1.00 0.00 S ATOM 0 H CYS A 7 4.303 -5.099 -4.738 1.00 0.00 H new ATOM 0 HA CYS A 7 4.147 -5.504 -7.637 1.00 0.00 H new ATOM 0 HB2 CYS A 7 4.162 -2.999 -5.910 1.00 0.00 H new ATOM 0 HB3 CYS A 7 3.992 -3.010 -7.654 1.00 0.00 H new ATOM 0 HG CYS A 7 1.457 -2.612 -6.355 1.00 0.00 H new ATOM 125 N LEU A 8 6.871 -5.070 -6.160 1.00 0.00 N ATOM 126 CA LEU A 8 8.301 -4.806 -6.272 1.00 0.00 C ATOM 127 C LEU A 8 8.941 -5.654 -7.365 1.00 0.00 C ATOM 128 O LEU A 8 8.558 -6.804 -7.577 1.00 0.00 O ATOM 129 CB LEU A 8 9.007 -5.085 -4.941 1.00 0.00 C ATOM 130 CG LEU A 8 8.535 -4.246 -3.755 1.00 0.00 C ATOM 131 CD1 LEU A 8 9.364 -4.559 -2.520 1.00 0.00 C ATOM 132 CD2 LEU A 8 8.608 -2.766 -4.087 1.00 0.00 C ATOM 0 H LEU A 8 6.601 -5.593 -5.327 1.00 0.00 H new ATOM 0 HA LEU A 8 8.415 -3.754 -6.533 1.00 0.00 H new ATOM 0 HB2 LEU A 8 8.874 -6.138 -4.694 1.00 0.00 H new ATOM 0 HB3 LEU A 8 10.076 -4.922 -5.076 1.00 0.00 H new ATOM 0 HG LEU A 8 7.496 -4.499 -3.545 1.00 0.00 H new ATOM 0 HD11 LEU A 8 9.015 -3.953 -1.684 1.00 0.00 H new ATOM 0 HD12 LEU A 8 9.261 -5.615 -2.270 1.00 0.00 H new ATOM 0 HD13 LEU A 8 10.412 -4.334 -2.719 1.00 0.00 H new ATOM 0 HD21 LEU A 8 8.268 -2.184 -3.231 1.00 0.00 H new ATOM 0 HD22 LEU A 8 9.637 -2.496 -4.323 1.00 0.00 H new ATOM 0 HD23 LEU A 8 7.971 -2.554 -4.946 1.00 0.00 H new ATOM 144 N SER A 9 9.926 -5.088 -8.051 1.00 0.00 N ATOM 145 CA SER A 9 10.729 -5.852 -8.994 1.00 0.00 C ATOM 146 C SER A 9 11.572 -6.886 -8.257 1.00 0.00 C ATOM 147 O SER A 9 12.064 -7.843 -8.854 1.00 0.00 O ATOM 148 CB SER A 9 11.623 -4.931 -9.825 1.00 0.00 C ATOM 149 OG SER A 9 11.077 -4.727 -11.116 1.00 0.00 O ATOM 0 H SER A 9 10.187 -4.105 -7.972 1.00 0.00 H new ATOM 0 HA SER A 9 10.052 -6.370 -9.673 1.00 0.00 H new ATOM 0 HB2 SER A 9 11.736 -3.973 -9.318 1.00 0.00 H new ATOM 0 HB3 SER A 9 12.619 -5.365 -9.911 1.00 0.00 H new ATOM 0 HG SER A 9 10.293 -5.303 -11.234 1.00 0.00 H new ATOM 155 N SER A 10 11.721 -6.692 -6.951 1.00 0.00 N ATOM 156 CA SER A 10 12.378 -7.670 -6.099 1.00 0.00 C ATOM 157 C SER A 10 11.504 -8.918 -5.988 1.00 0.00 C ATOM 158 O SER A 10 11.982 -10.011 -5.687 1.00 0.00 O ATOM 159 CB SER A 10 12.617 -7.070 -4.716 1.00 0.00 C ATOM 160 OG SER A 10 13.080 -5.733 -4.819 1.00 0.00 O ATOM 0 H SER A 10 11.393 -5.861 -6.460 1.00 0.00 H new ATOM 0 HA SER A 10 13.339 -7.946 -6.534 1.00 0.00 H new ATOM 0 HB2 SER A 10 11.693 -7.096 -4.139 1.00 0.00 H new ATOM 0 HB3 SER A 10 13.347 -7.672 -4.175 1.00 0.00 H new ATOM 0 HG SER A 10 13.225 -5.367 -3.922 1.00 0.00 H new ATOM 166 N GLU A 11 10.213 -8.733 -6.241 1.00 0.00 N ATOM 167 CA GLU A 11 9.252 -9.825 -6.234 1.00 0.00 C ATOM 168 C GLU A 11 9.151 -10.469 -7.612 1.00 0.00 C ATOM 169 O GLU A 11 8.642 -11.584 -7.755 1.00 0.00 O ATOM 170 CB GLU A 11 7.884 -9.307 -5.790 1.00 0.00 C ATOM 171 CG GLU A 11 7.612 -9.526 -4.315 1.00 0.00 C ATOM 172 CD GLU A 11 7.576 -10.998 -3.970 1.00 0.00 C ATOM 173 OE1 GLU A 11 6.533 -11.637 -4.199 1.00 0.00 O ATOM 174 OE2 GLU A 11 8.605 -11.532 -3.512 1.00 0.00 O ATOM 0 H GLU A 11 9.806 -7.823 -6.456 1.00 0.00 H new ATOM 0 HA GLU A 11 9.594 -10.584 -5.530 1.00 0.00 H new ATOM 0 HB2 GLU A 11 7.817 -8.242 -6.011 1.00 0.00 H new ATOM 0 HB3 GLU A 11 7.108 -9.803 -6.373 1.00 0.00 H new ATOM 0 HG2 GLU A 11 8.383 -9.032 -3.725 1.00 0.00 H new ATOM 0 HG3 GLU A 11 6.661 -9.065 -4.047 1.00 0.00 H new ATOM 181 N GLY A 12 9.655 -9.767 -8.616 1.00 0.00 N ATOM 182 CA GLY A 12 9.601 -10.265 -9.975 1.00 0.00 C ATOM 183 C GLY A 12 8.584 -9.525 -10.819 1.00 0.00 C ATOM 184 O GLY A 12 8.347 -9.882 -11.972 1.00 0.00 O ATOM 0 H GLY A 12 10.103 -8.856 -8.513 1.00 0.00 H new ATOM 0 HA2 GLY A 12 10.586 -10.172 -10.433 1.00 0.00 H new ATOM 0 HA3 GLY A 12 9.354 -11.327 -9.961 1.00 0.00 H new ATOM 188 N SER A 13 7.989 -8.489 -10.246 1.00 0.00 N ATOM 189 CA SER A 13 6.968 -7.722 -10.934 1.00 0.00 C ATOM 190 C SER A 13 7.600 -6.702 -11.879 1.00 0.00 C ATOM 191 O SER A 13 8.657 -6.133 -11.589 1.00 0.00 O ATOM 192 CB SER A 13 6.067 -7.037 -9.909 1.00 0.00 C ATOM 193 OG SER A 13 5.544 -7.992 -8.999 1.00 0.00 O ATOM 0 H SER A 13 8.199 -8.162 -9.303 1.00 0.00 H new ATOM 0 HA SER A 13 6.362 -8.397 -11.539 1.00 0.00 H new ATOM 0 HB2 SER A 13 6.632 -6.279 -9.367 1.00 0.00 H new ATOM 0 HB3 SER A 13 5.251 -6.523 -10.417 1.00 0.00 H new ATOM 0 HG SER A 13 5.116 -7.529 -8.249 1.00 0.00 H new ATOM 199 N GLU A 14 6.946 -6.492 -13.009 1.00 0.00 N ATOM 200 CA GLU A 14 7.452 -5.621 -14.054 1.00 0.00 C ATOM 201 C GLU A 14 6.382 -4.616 -14.470 1.00 0.00 C ATOM 202 O GLU A 14 5.206 -4.963 -14.592 1.00 0.00 O ATOM 203 CB GLU A 14 7.871 -6.466 -15.258 1.00 0.00 C ATOM 204 CG GLU A 14 8.460 -5.667 -16.406 1.00 0.00 C ATOM 205 CD GLU A 14 8.644 -6.505 -17.653 1.00 0.00 C ATOM 206 OE1 GLU A 14 9.557 -7.351 -17.679 1.00 0.00 O ATOM 207 OE2 GLU A 14 7.863 -6.328 -18.612 1.00 0.00 O ATOM 0 H GLU A 14 6.047 -6.922 -13.227 1.00 0.00 H new ATOM 0 HA GLU A 14 8.315 -5.072 -13.676 1.00 0.00 H new ATOM 0 HB2 GLU A 14 8.603 -7.205 -14.932 1.00 0.00 H new ATOM 0 HB3 GLU A 14 7.003 -7.016 -15.621 1.00 0.00 H new ATOM 0 HG2 GLU A 14 7.808 -4.823 -16.631 1.00 0.00 H new ATOM 0 HG3 GLU A 14 9.422 -5.254 -16.103 1.00 0.00 H new ATOM 214 N VAL A 15 6.790 -3.375 -14.677 1.00 0.00 N ATOM 215 CA VAL A 15 5.877 -2.342 -15.135 1.00 0.00 C ATOM 216 C VAL A 15 5.862 -2.299 -16.663 1.00 0.00 C ATOM 217 O VAL A 15 6.906 -2.204 -17.314 1.00 0.00 O ATOM 218 CB VAL A 15 6.236 -0.958 -14.534 1.00 0.00 C ATOM 219 CG1 VAL A 15 7.679 -0.578 -14.830 1.00 0.00 C ATOM 220 CG2 VAL A 15 5.284 0.118 -15.030 1.00 0.00 C ATOM 0 H VAL A 15 7.749 -3.058 -14.535 1.00 0.00 H new ATOM 0 HA VAL A 15 4.875 -2.589 -14.785 1.00 0.00 H new ATOM 0 HB VAL A 15 6.128 -1.036 -13.452 1.00 0.00 H new ATOM 0 HG11 VAL A 15 7.895 0.397 -14.394 1.00 0.00 H new ATOM 0 HG12 VAL A 15 8.347 -1.324 -14.400 1.00 0.00 H new ATOM 0 HG13 VAL A 15 7.830 -0.535 -15.909 1.00 0.00 H new ATOM 0 HG21 VAL A 15 5.560 1.078 -14.592 1.00 0.00 H new ATOM 0 HG22 VAL A 15 5.344 0.184 -16.116 1.00 0.00 H new ATOM 0 HG23 VAL A 15 4.265 -0.135 -14.737 1.00 0.00 H new ATOM 230 N ILE A 16 4.673 -2.402 -17.226 1.00 0.00 N ATOM 231 CA ILE A 16 4.505 -2.504 -18.664 1.00 0.00 C ATOM 232 C ILE A 16 3.573 -1.410 -19.181 1.00 0.00 C ATOM 233 O ILE A 16 2.390 -1.370 -18.830 1.00 0.00 O ATOM 234 CB ILE A 16 3.978 -3.911 -19.064 1.00 0.00 C ATOM 235 CG1 ILE A 16 3.563 -3.944 -20.540 1.00 0.00 C ATOM 236 CG2 ILE A 16 2.828 -4.346 -18.166 1.00 0.00 C ATOM 237 CD1 ILE A 16 3.007 -5.282 -20.989 1.00 0.00 C ATOM 0 H ILE A 16 3.798 -2.417 -16.701 1.00 0.00 H new ATOM 0 HA ILE A 16 5.482 -2.365 -19.127 1.00 0.00 H new ATOM 0 HB ILE A 16 4.794 -4.621 -18.927 1.00 0.00 H new ATOM 0 HG12 ILE A 16 2.813 -3.172 -20.714 1.00 0.00 H new ATOM 0 HG13 ILE A 16 4.427 -3.694 -21.156 1.00 0.00 H new ATOM 0 HG21 ILE A 16 2.482 -5.333 -18.471 1.00 0.00 H new ATOM 0 HG22 ILE A 16 3.169 -4.385 -17.131 1.00 0.00 H new ATOM 0 HG23 ILE A 16 2.009 -3.632 -18.252 1.00 0.00 H new ATOM 0 HD11 ILE A 16 2.736 -5.228 -22.043 1.00 0.00 H new ATOM 0 HD12 ILE A 16 3.762 -6.056 -20.848 1.00 0.00 H new ATOM 0 HD13 ILE A 16 2.123 -5.525 -20.399 1.00 0.00 H new ATOM 249 N LEU A 17 4.139 -0.512 -19.992 1.00 0.00 N ATOM 250 CA LEU A 17 3.398 0.588 -20.621 1.00 0.00 C ATOM 251 C LEU A 17 3.059 1.682 -19.614 1.00 0.00 C ATOM 252 O LEU A 17 2.560 1.410 -18.522 1.00 0.00 O ATOM 253 CB LEU A 17 2.113 0.087 -21.294 1.00 0.00 C ATOM 254 CG LEU A 17 2.309 -0.952 -22.398 1.00 0.00 C ATOM 255 CD1 LEU A 17 0.962 -1.448 -22.897 1.00 0.00 C ATOM 256 CD2 LEU A 17 3.120 -0.367 -23.543 1.00 0.00 C ATOM 0 H LEU A 17 5.130 -0.527 -20.233 1.00 0.00 H new ATOM 0 HA LEU A 17 4.050 1.010 -21.386 1.00 0.00 H new ATOM 0 HB2 LEU A 17 1.466 -0.340 -20.528 1.00 0.00 H new ATOM 0 HB3 LEU A 17 1.587 0.944 -21.715 1.00 0.00 H new ATOM 0 HG LEU A 17 2.860 -1.798 -21.986 1.00 0.00 H new ATOM 0 HD11 LEU A 17 1.115 -2.187 -23.683 1.00 0.00 H new ATOM 0 HD12 LEU A 17 0.414 -1.903 -22.072 1.00 0.00 H new ATOM 0 HD13 LEU A 17 0.390 -0.610 -23.294 1.00 0.00 H new ATOM 0 HD21 LEU A 17 3.249 -1.121 -24.320 1.00 0.00 H new ATOM 0 HD22 LEU A 17 2.596 0.494 -23.957 1.00 0.00 H new ATOM 0 HD23 LEU A 17 4.097 -0.054 -23.174 1.00 0.00 H new ATOM 268 N ALA A 18 3.333 2.922 -19.989 1.00 0.00 N ATOM 269 CA ALA A 18 3.032 4.064 -19.143 1.00 0.00 C ATOM 270 C ALA A 18 2.703 5.281 -19.996 1.00 0.00 C ATOM 271 O ALA A 18 3.249 5.449 -21.087 1.00 0.00 O ATOM 272 CB ALA A 18 4.201 4.359 -18.214 1.00 0.00 C ATOM 0 H ALA A 18 3.766 3.163 -20.880 1.00 0.00 H new ATOM 0 HA ALA A 18 2.161 3.826 -18.532 1.00 0.00 H new ATOM 0 HB1 ALA A 18 3.960 5.217 -17.587 1.00 0.00 H new ATOM 0 HB2 ALA A 18 4.392 3.491 -17.583 1.00 0.00 H new ATOM 0 HB3 ALA A 18 5.089 4.580 -18.806 1.00 0.00 H new ATOM 278 N THR A 19 1.800 6.119 -19.502 1.00 0.00 N ATOM 279 CA THR A 19 1.395 7.323 -20.217 1.00 0.00 C ATOM 280 C THR A 19 2.558 8.316 -20.324 1.00 0.00 C ATOM 281 O THR A 19 2.722 8.992 -21.338 1.00 0.00 O ATOM 282 CB THR A 19 0.168 7.991 -19.539 1.00 0.00 C ATOM 283 OG1 THR A 19 -0.207 9.187 -20.232 1.00 0.00 O ATOM 284 CG2 THR A 19 0.450 8.311 -18.080 1.00 0.00 C ATOM 0 H THR A 19 1.332 5.986 -18.605 1.00 0.00 H new ATOM 0 HA THR A 19 1.105 7.027 -21.225 1.00 0.00 H new ATOM 0 HB THR A 19 -0.657 7.280 -19.584 1.00 0.00 H new ATOM 0 HG1 THR A 19 -0.983 9.592 -19.790 1.00 0.00 H new ATOM 0 HG21 THR A 19 -0.428 8.778 -17.634 1.00 0.00 H new ATOM 0 HG22 THR A 19 0.684 7.391 -17.544 1.00 0.00 H new ATOM 0 HG23 THR A 19 1.297 8.994 -18.014 1.00 0.00 H new ATOM 292 N SER A 20 3.377 8.378 -19.286 1.00 0.00 N ATOM 293 CA SER A 20 4.542 9.245 -19.284 1.00 0.00 C ATOM 294 C SER A 20 5.784 8.444 -18.915 1.00 0.00 C ATOM 295 O SER A 20 5.702 7.490 -18.144 1.00 0.00 O ATOM 296 CB SER A 20 4.347 10.394 -18.293 1.00 0.00 C ATOM 297 OG SER A 20 3.150 11.108 -18.563 1.00 0.00 O ATOM 0 H SER A 20 3.255 7.835 -18.431 1.00 0.00 H new ATOM 0 HA SER A 20 4.670 9.663 -20.283 1.00 0.00 H new ATOM 0 HB2 SER A 20 4.317 10.000 -17.277 1.00 0.00 H new ATOM 0 HB3 SER A 20 5.198 11.073 -18.347 1.00 0.00 H new ATOM 0 HG SER A 20 3.329 11.809 -19.224 1.00 0.00 H new ATOM 303 N SER A 21 6.922 8.820 -19.468 1.00 0.00 N ATOM 304 CA SER A 21 8.173 8.154 -19.153 1.00 0.00 C ATOM 305 C SER A 21 9.313 9.163 -19.136 1.00 0.00 C ATOM 306 O SER A 21 9.748 9.653 -20.180 1.00 0.00 O ATOM 307 CB SER A 21 8.447 7.034 -20.165 1.00 0.00 C ATOM 308 OG SER A 21 9.663 6.355 -19.884 1.00 0.00 O ATOM 0 H SER A 21 7.006 9.584 -20.138 1.00 0.00 H new ATOM 0 HA SER A 21 8.098 7.706 -18.162 1.00 0.00 H new ATOM 0 HB2 SER A 21 7.622 6.322 -20.152 1.00 0.00 H new ATOM 0 HB3 SER A 21 8.489 7.454 -21.170 1.00 0.00 H new ATOM 0 HG SER A 21 9.804 5.648 -20.548 1.00 0.00 H new ATOM 314 N ASP A 22 9.772 9.488 -17.938 1.00 0.00 N ATOM 315 CA ASP A 22 10.836 10.460 -17.757 1.00 0.00 C ATOM 316 C ASP A 22 12.143 9.746 -17.428 1.00 0.00 C ATOM 317 O ASP A 22 12.137 8.659 -16.855 1.00 0.00 O ATOM 318 CB ASP A 22 10.452 11.449 -16.648 1.00 0.00 C ATOM 319 CG ASP A 22 11.571 12.402 -16.273 1.00 0.00 C ATOM 320 OD1 ASP A 22 12.312 12.859 -17.164 1.00 0.00 O ATOM 321 OD2 ASP A 22 11.716 12.700 -15.074 1.00 0.00 O ATOM 0 H ASP A 22 9.419 9.088 -17.069 1.00 0.00 H new ATOM 0 HA ASP A 22 10.979 11.020 -18.681 1.00 0.00 H new ATOM 0 HB2 ASP A 22 9.586 12.027 -16.971 1.00 0.00 H new ATOM 0 HB3 ASP A 22 10.149 10.890 -15.762 1.00 0.00 H new ATOM 326 N GLU A 23 13.258 10.347 -17.811 1.00 0.00 N ATOM 327 CA GLU A 23 14.563 9.743 -17.585 1.00 0.00 C ATOM 328 C GLU A 23 15.140 10.198 -16.250 1.00 0.00 C ATOM 329 O GLU A 23 16.109 9.629 -15.751 1.00 0.00 O ATOM 330 CB GLU A 23 15.514 10.083 -18.734 1.00 0.00 C ATOM 331 CG GLU A 23 15.045 9.549 -20.080 1.00 0.00 C ATOM 332 CD GLU A 23 15.986 9.898 -21.212 1.00 0.00 C ATOM 333 OE1 GLU A 23 16.915 9.114 -21.484 1.00 0.00 O ATOM 334 OE2 GLU A 23 15.800 10.960 -21.843 1.00 0.00 O ATOM 0 H GLU A 23 13.287 11.252 -18.280 1.00 0.00 H new ATOM 0 HA GLU A 23 14.443 8.660 -17.550 1.00 0.00 H new ATOM 0 HB2 GLU A 23 15.623 11.166 -18.798 1.00 0.00 H new ATOM 0 HB3 GLU A 23 16.501 9.676 -18.513 1.00 0.00 H new ATOM 0 HG2 GLU A 23 14.943 8.465 -20.020 1.00 0.00 H new ATOM 0 HG3 GLU A 23 14.056 9.950 -20.300 1.00 0.00 H new ATOM 341 N LYS A 24 14.541 11.232 -15.675 1.00 0.00 N ATOM 342 CA LYS A 24 14.919 11.691 -14.345 1.00 0.00 C ATOM 343 C LYS A 24 14.083 10.953 -13.309 1.00 0.00 C ATOM 344 O LYS A 24 14.545 10.640 -12.210 1.00 0.00 O ATOM 345 CB LYS A 24 14.701 13.199 -14.212 1.00 0.00 C ATOM 346 CG LYS A 24 15.292 14.004 -15.358 1.00 0.00 C ATOM 347 CD LYS A 24 15.036 15.494 -15.187 1.00 0.00 C ATOM 348 CE LYS A 24 13.549 15.805 -15.063 1.00 0.00 C ATOM 349 NZ LYS A 24 12.781 15.405 -16.271 1.00 0.00 N ATOM 0 H LYS A 24 13.791 11.769 -16.109 1.00 0.00 H new ATOM 0 HA LYS A 24 15.977 11.484 -14.183 1.00 0.00 H new ATOM 0 HB2 LYS A 24 13.631 13.399 -14.153 1.00 0.00 H new ATOM 0 HB3 LYS A 24 15.141 13.540 -13.275 1.00 0.00 H new ATOM 0 HG2 LYS A 24 16.365 13.823 -15.415 1.00 0.00 H new ATOM 0 HG3 LYS A 24 14.861 13.666 -16.301 1.00 0.00 H new ATOM 0 HD2 LYS A 24 15.557 15.852 -14.299 1.00 0.00 H new ATOM 0 HD3 LYS A 24 15.450 16.034 -16.039 1.00 0.00 H new ATOM 0 HE2 LYS A 24 13.145 15.289 -14.192 1.00 0.00 H new ATOM 0 HE3 LYS A 24 13.418 16.873 -14.890 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 11.766 15.559 -16.104 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 13.089 15.977 -17.083 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 12.950 14.399 -16.472 1.00 0.00 H new ATOM 363 N HIS A 25 12.835 10.707 -13.674 1.00 0.00 N ATOM 364 CA HIS A 25 11.931 9.890 -12.879 1.00 0.00 C ATOM 365 C HIS A 25 11.539 8.657 -13.673 1.00 0.00 C ATOM 366 O HIS A 25 10.509 8.648 -14.349 1.00 0.00 O ATOM 367 CB HIS A 25 10.671 10.674 -12.502 1.00 0.00 C ATOM 368 CG HIS A 25 10.930 11.875 -11.652 1.00 0.00 C ATOM 369 ND1 HIS A 25 10.565 11.950 -10.328 1.00 0.00 N ATOM 370 CD2 HIS A 25 11.517 13.056 -11.944 1.00 0.00 C ATOM 371 CE1 HIS A 25 10.915 13.125 -9.841 1.00 0.00 C ATOM 372 NE2 HIS A 25 11.497 13.816 -10.802 1.00 0.00 N ATOM 0 H HIS A 25 12.419 11.069 -14.532 1.00 0.00 H new ATOM 0 HA HIS A 25 12.443 9.599 -11.962 1.00 0.00 H new ATOM 0 HB2 HIS A 25 10.167 10.991 -13.415 1.00 0.00 H new ATOM 0 HB3 HIS A 25 9.987 10.009 -11.974 1.00 0.00 H new ATOM 0 HD1 HIS A 25 10.096 11.211 -9.804 1.00 0.00 H new ATOM 0 HD2 HIS A 25 11.926 13.348 -12.900 1.00 0.00 H new ATOM 0 HE1 HIS A 25 10.753 13.463 -8.828 1.00 0.00 H new ATOM 380 N PRO A 26 12.371 7.609 -13.626 1.00 0.00 N ATOM 381 CA PRO A 26 12.155 6.401 -14.418 1.00 0.00 C ATOM 382 C PRO A 26 10.913 5.643 -13.970 1.00 0.00 C ATOM 383 O PRO A 26 10.758 5.341 -12.784 1.00 0.00 O ATOM 384 CB PRO A 26 13.417 5.561 -14.173 1.00 0.00 C ATOM 385 CG PRO A 26 14.391 6.477 -13.505 1.00 0.00 C ATOM 386 CD PRO A 26 13.572 7.506 -12.788 1.00 0.00 C ATOM 0 HA PRO A 26 11.992 6.631 -15.471 1.00 0.00 H new ATOM 0 HB2 PRO A 26 13.197 4.698 -13.544 1.00 0.00 H new ATOM 0 HB3 PRO A 26 13.820 5.178 -15.110 1.00 0.00 H new ATOM 0 HG2 PRO A 26 15.025 5.929 -12.808 1.00 0.00 H new ATOM 0 HG3 PRO A 26 15.050 6.945 -14.236 1.00 0.00 H new ATOM 0 HD2 PRO A 26 13.330 7.194 -11.772 1.00 0.00 H new ATOM 0 HD3 PRO A 26 14.096 8.459 -12.713 1.00 0.00 H new ATOM 394 N PRO A 27 10.009 5.331 -14.911 1.00 0.00 N ATOM 395 CA PRO A 27 8.791 4.566 -14.624 1.00 0.00 C ATOM 396 C PRO A 27 9.104 3.223 -13.977 1.00 0.00 C ATOM 397 O PRO A 27 8.323 2.709 -13.184 1.00 0.00 O ATOM 398 CB PRO A 27 8.157 4.362 -16.001 1.00 0.00 C ATOM 399 CG PRO A 27 8.706 5.464 -16.838 1.00 0.00 C ATOM 400 CD PRO A 27 10.097 5.712 -16.331 1.00 0.00 C ATOM 0 HA PRO A 27 8.139 5.084 -13.920 1.00 0.00 H new ATOM 0 HB2 PRO A 27 8.413 3.386 -16.414 1.00 0.00 H new ATOM 0 HB3 PRO A 27 7.069 4.410 -15.947 1.00 0.00 H new ATOM 0 HG2 PRO A 27 8.718 5.185 -17.892 1.00 0.00 H new ATOM 0 HG3 PRO A 27 8.093 6.362 -16.753 1.00 0.00 H new ATOM 0 HD2 PRO A 27 10.833 5.111 -16.865 1.00 0.00 H new ATOM 0 HD3 PRO A 27 10.390 6.755 -16.451 1.00 0.00 H new ATOM 408 N GLU A 28 10.264 2.675 -14.310 1.00 0.00 N ATOM 409 CA GLU A 28 10.714 1.405 -13.747 1.00 0.00 C ATOM 410 C GLU A 28 10.875 1.494 -12.228 1.00 0.00 C ATOM 411 O GLU A 28 10.908 0.478 -11.538 1.00 0.00 O ATOM 412 CB GLU A 28 12.045 0.964 -14.373 1.00 0.00 C ATOM 413 CG GLU A 28 12.013 0.812 -15.889 1.00 0.00 C ATOM 414 CD GLU A 28 12.096 2.136 -16.618 1.00 0.00 C ATOM 415 OE1 GLU A 28 13.220 2.644 -16.807 1.00 0.00 O ATOM 416 OE2 GLU A 28 11.045 2.676 -17.010 1.00 0.00 O ATOM 0 H GLU A 28 10.917 3.093 -14.973 1.00 0.00 H new ATOM 0 HA GLU A 28 9.947 0.665 -13.977 1.00 0.00 H new ATOM 0 HB2 GLU A 28 12.814 1.691 -14.110 1.00 0.00 H new ATOM 0 HB3 GLU A 28 12.341 0.012 -13.932 1.00 0.00 H new ATOM 0 HG2 GLU A 28 12.842 0.178 -16.203 1.00 0.00 H new ATOM 0 HG3 GLU A 28 11.095 0.301 -16.178 1.00 0.00 H new ATOM 423 N ASN A 29 10.959 2.711 -11.706 1.00 0.00 N ATOM 424 CA ASN A 29 11.163 2.907 -10.276 1.00 0.00 C ATOM 425 C ASN A 29 9.833 2.864 -9.525 1.00 0.00 C ATOM 426 O ASN A 29 9.804 2.931 -8.296 1.00 0.00 O ATOM 427 CB ASN A 29 11.879 4.234 -10.003 1.00 0.00 C ATOM 428 CG ASN A 29 12.790 4.163 -8.788 1.00 0.00 C ATOM 429 OD1 ASN A 29 13.969 3.832 -8.907 1.00 0.00 O ATOM 430 ND2 ASN A 29 12.259 4.470 -7.615 1.00 0.00 N ATOM 0 H ASN A 29 10.890 3.573 -12.247 1.00 0.00 H new ATOM 0 HA ASN A 29 11.792 2.093 -9.916 1.00 0.00 H new ATOM 0 HB2 ASN A 29 12.466 4.513 -10.878 1.00 0.00 H new ATOM 0 HB3 ASN A 29 11.138 5.019 -9.852 1.00 0.00 H new ATOM 0 HD21 ASN A 29 12.832 4.436 -6.772 1.00 0.00 H new ATOM 0 HD22 ASN A 29 11.277 4.740 -7.555 1.00 0.00 H new ATOM 437 N ILE A 30 8.729 2.735 -10.262 1.00 0.00 N ATOM 438 CA ILE A 30 7.409 2.632 -9.642 1.00 0.00 C ATOM 439 C ILE A 30 7.269 1.283 -8.940 1.00 0.00 C ATOM 440 O ILE A 30 6.537 1.146 -7.962 1.00 0.00 O ATOM 441 CB ILE A 30 6.266 2.806 -10.678 1.00 0.00 C ATOM 442 CG1 ILE A 30 4.938 3.088 -9.972 1.00 0.00 C ATOM 443 CG2 ILE A 30 6.131 1.573 -11.565 1.00 0.00 C ATOM 444 CD1 ILE A 30 3.777 3.282 -10.925 1.00 0.00 C ATOM 0 H ILE A 30 8.723 2.700 -11.281 1.00 0.00 H new ATOM 0 HA ILE A 30 7.323 3.439 -8.914 1.00 0.00 H new ATOM 0 HB ILE A 30 6.520 3.657 -11.310 1.00 0.00 H new ATOM 0 HG12 ILE A 30 4.711 2.262 -9.299 1.00 0.00 H new ATOM 0 HG13 ILE A 30 5.045 3.981 -9.356 1.00 0.00 H new ATOM 0 HG21 ILE A 30 5.322 1.726 -12.280 1.00 0.00 H new ATOM 0 HG22 ILE A 30 7.064 1.408 -12.103 1.00 0.00 H new ATOM 0 HG23 ILE A 30 5.909 0.703 -10.947 1.00 0.00 H new ATOM 0 HD11 ILE A 30 2.868 3.478 -10.356 1.00 0.00 H new ATOM 0 HD12 ILE A 30 3.983 4.127 -11.582 1.00 0.00 H new ATOM 0 HD13 ILE A 30 3.643 2.381 -11.524 1.00 0.00 H new ATOM 456 N ILE A 31 7.998 0.294 -9.448 1.00 0.00 N ATOM 457 CA ILE A 31 8.005 -1.040 -8.870 1.00 0.00 C ATOM 458 C ILE A 31 9.274 -1.243 -8.053 1.00 0.00 C ATOM 459 O ILE A 31 9.567 -2.341 -7.578 1.00 0.00 O ATOM 460 CB ILE A 31 7.900 -2.121 -9.964 1.00 0.00 C ATOM 461 CG1 ILE A 31 8.991 -1.922 -11.018 1.00 0.00 C ATOM 462 CG2 ILE A 31 6.519 -2.090 -10.607 1.00 0.00 C ATOM 463 CD1 ILE A 31 8.913 -2.903 -12.165 1.00 0.00 C ATOM 0 H ILE A 31 8.597 0.396 -10.268 1.00 0.00 H new ATOM 0 HA ILE A 31 7.137 -1.135 -8.218 1.00 0.00 H new ATOM 0 HB ILE A 31 8.044 -3.098 -9.503 1.00 0.00 H new ATOM 0 HG12 ILE A 31 8.922 -0.908 -11.413 1.00 0.00 H new ATOM 0 HG13 ILE A 31 9.966 -2.012 -10.540 1.00 0.00 H new ATOM 0 HG21 ILE A 31 6.459 -2.859 -11.378 1.00 0.00 H new ATOM 0 HG22 ILE A 31 5.760 -2.278 -9.848 1.00 0.00 H new ATOM 0 HG23 ILE A 31 6.349 -1.112 -11.056 1.00 0.00 H new ATOM 0 HD11 ILE A 31 9.717 -2.701 -12.872 1.00 0.00 H new ATOM 0 HD12 ILE A 31 9.013 -3.919 -11.782 1.00 0.00 H new ATOM 0 HD13 ILE A 31 7.952 -2.798 -12.669 1.00 0.00 H new ATOM 475 N ASP A 32 10.030 -0.164 -7.917 1.00 0.00 N ATOM 476 CA ASP A 32 11.230 -0.155 -7.089 1.00 0.00 C ATOM 477 C ASP A 32 10.861 0.082 -5.627 1.00 0.00 C ATOM 478 O ASP A 32 11.173 -0.734 -4.758 1.00 0.00 O ATOM 479 CB ASP A 32 12.200 0.917 -7.584 1.00 0.00 C ATOM 480 CG ASP A 32 13.311 1.203 -6.599 1.00 0.00 C ATOM 481 OD1 ASP A 32 14.333 0.489 -6.613 1.00 0.00 O ATOM 482 OD2 ASP A 32 13.168 2.154 -5.811 1.00 0.00 O ATOM 0 H ASP A 32 9.832 0.726 -8.374 1.00 0.00 H new ATOM 0 HA ASP A 32 11.721 -1.125 -7.164 1.00 0.00 H new ATOM 0 HB2 ASP A 32 12.634 0.598 -8.531 1.00 0.00 H new ATOM 0 HB3 ASP A 32 11.649 1.837 -7.780 1.00 0.00 H new ATOM 487 N GLY A 33 10.194 1.201 -5.362 1.00 0.00 N ATOM 488 CA GLY A 33 9.652 1.439 -4.036 1.00 0.00 C ATOM 489 C GLY A 33 10.388 2.510 -3.249 1.00 0.00 C ATOM 490 O GLY A 33 9.928 2.912 -2.177 1.00 0.00 O ATOM 0 H GLY A 33 10.019 1.944 -6.038 1.00 0.00 H new ATOM 0 HA2 GLY A 33 8.605 1.727 -4.129 1.00 0.00 H new ATOM 0 HA3 GLY A 33 9.677 0.507 -3.472 1.00 0.00 H new ATOM 494 N ASN A 34 11.516 2.983 -3.756 1.00 0.00 N ATOM 495 CA ASN A 34 12.288 3.997 -3.048 1.00 0.00 C ATOM 496 C ASN A 34 11.741 5.389 -3.334 1.00 0.00 C ATOM 497 O ASN A 34 11.522 5.748 -4.493 1.00 0.00 O ATOM 498 CB ASN A 34 13.769 3.938 -3.422 1.00 0.00 C ATOM 499 CG ASN A 34 14.480 2.745 -2.824 1.00 0.00 C ATOM 500 OD1 ASN A 34 14.990 2.808 -1.705 1.00 0.00 O ATOM 501 ND2 ASN A 34 14.533 1.653 -3.568 1.00 0.00 N ATOM 0 H ASN A 34 11.916 2.686 -4.646 1.00 0.00 H new ATOM 0 HA ASN A 34 12.195 3.788 -1.982 1.00 0.00 H new ATOM 0 HB2 ASN A 34 13.863 3.904 -4.507 1.00 0.00 H new ATOM 0 HB3 ASN A 34 14.260 4.852 -3.088 1.00 0.00 H new ATOM 0 HD21 ASN A 34 15.010 0.821 -3.220 1.00 0.00 H new ATOM 0 HD22 ASN A 34 14.097 1.643 -4.490 1.00 0.00 H new ATOM 508 N PRO A 35 11.521 6.204 -2.287 1.00 0.00 N ATOM 509 CA PRO A 35 10.972 7.549 -2.433 1.00 0.00 C ATOM 510 C PRO A 35 12.012 8.568 -2.898 1.00 0.00 C ATOM 511 O PRO A 35 11.779 9.775 -2.821 1.00 0.00 O ATOM 512 CB PRO A 35 10.482 7.911 -1.023 1.00 0.00 C ATOM 513 CG PRO A 35 10.772 6.729 -0.154 1.00 0.00 C ATOM 514 CD PRO A 35 11.781 5.887 -0.878 1.00 0.00 C ATOM 0 HA PRO A 35 10.189 7.569 -3.191 1.00 0.00 H new ATOM 0 HB2 PRO A 35 10.992 8.800 -0.652 1.00 0.00 H new ATOM 0 HB3 PRO A 35 9.415 8.135 -1.029 1.00 0.00 H new ATOM 0 HG2 PRO A 35 11.159 7.048 0.814 1.00 0.00 H new ATOM 0 HG3 PRO A 35 9.862 6.160 0.039 1.00 0.00 H new ATOM 0 HD2 PRO A 35 12.801 6.140 -0.588 1.00 0.00 H new ATOM 0 HD3 PRO A 35 11.645 4.826 -0.671 1.00 0.00 H new ATOM 522 N GLU A 36 13.153 8.079 -3.371 1.00 0.00 N ATOM 523 CA GLU A 36 14.204 8.949 -3.881 1.00 0.00 C ATOM 524 C GLU A 36 13.769 9.573 -5.202 1.00 0.00 C ATOM 525 O GLU A 36 14.009 10.755 -5.461 1.00 0.00 O ATOM 526 CB GLU A 36 15.503 8.163 -4.063 1.00 0.00 C ATOM 527 CG GLU A 36 16.669 9.007 -4.551 1.00 0.00 C ATOM 528 CD GLU A 36 17.967 8.231 -4.601 1.00 0.00 C ATOM 529 OE1 GLU A 36 18.208 7.519 -5.600 1.00 0.00 O ATOM 530 OE2 GLU A 36 18.753 8.325 -3.633 1.00 0.00 O ATOM 0 H GLU A 36 13.373 7.084 -3.411 1.00 0.00 H new ATOM 0 HA GLU A 36 14.383 9.746 -3.159 1.00 0.00 H new ATOM 0 HB2 GLU A 36 15.773 7.702 -3.113 1.00 0.00 H new ATOM 0 HB3 GLU A 36 15.330 7.354 -4.773 1.00 0.00 H new ATOM 0 HG2 GLU A 36 16.442 9.394 -5.545 1.00 0.00 H new ATOM 0 HG3 GLU A 36 16.790 9.868 -3.894 1.00 0.00 H new ATOM 537 N THR A 37 13.118 8.771 -6.029 1.00 0.00 N ATOM 538 CA THR A 37 12.568 9.246 -7.281 1.00 0.00 C ATOM 539 C THR A 37 11.343 8.412 -7.654 1.00 0.00 C ATOM 540 O THR A 37 11.416 7.194 -7.794 1.00 0.00 O ATOM 541 CB THR A 37 13.621 9.231 -8.419 1.00 0.00 C ATOM 542 OG1 THR A 37 13.045 9.732 -9.633 1.00 0.00 O ATOM 543 CG2 THR A 37 14.182 7.835 -8.654 1.00 0.00 C ATOM 0 H THR A 37 12.958 7.780 -5.850 1.00 0.00 H new ATOM 0 HA THR A 37 12.265 10.285 -7.148 1.00 0.00 H new ATOM 0 HB THR A 37 14.444 9.875 -8.111 1.00 0.00 H new ATOM 0 HG1 THR A 37 13.758 9.940 -10.272 1.00 0.00 H new ATOM 0 HG21 THR A 37 14.916 7.869 -9.459 1.00 0.00 H new ATOM 0 HG22 THR A 37 14.660 7.477 -7.742 1.00 0.00 H new ATOM 0 HG23 THR A 37 13.372 7.159 -8.929 1.00 0.00 H new ATOM 551 N PHE A 38 10.204 9.069 -7.761 1.00 0.00 N ATOM 552 CA PHE A 38 8.964 8.386 -8.083 1.00 0.00 C ATOM 553 C PHE A 38 8.467 8.799 -9.461 1.00 0.00 C ATOM 554 O PHE A 38 8.911 9.808 -10.011 1.00 0.00 O ATOM 555 CB PHE A 38 7.907 8.667 -7.010 1.00 0.00 C ATOM 556 CG PHE A 38 7.735 10.125 -6.681 1.00 0.00 C ATOM 557 CD1 PHE A 38 6.863 10.920 -7.407 1.00 0.00 C ATOM 558 CD2 PHE A 38 8.448 10.697 -5.639 1.00 0.00 C ATOM 559 CE1 PHE A 38 6.706 12.258 -7.100 1.00 0.00 C ATOM 560 CE2 PHE A 38 8.295 12.035 -5.328 1.00 0.00 C ATOM 561 CZ PHE A 38 7.422 12.816 -6.060 1.00 0.00 C ATOM 0 H PHE A 38 10.111 10.076 -7.630 1.00 0.00 H new ATOM 0 HA PHE A 38 9.152 7.313 -8.102 1.00 0.00 H new ATOM 0 HB2 PHE A 38 6.950 8.266 -7.345 1.00 0.00 H new ATOM 0 HB3 PHE A 38 8.177 8.130 -6.101 1.00 0.00 H new ATOM 0 HD1 PHE A 38 6.300 10.489 -8.222 1.00 0.00 H new ATOM 0 HD2 PHE A 38 9.131 10.090 -5.063 1.00 0.00 H new ATOM 0 HE1 PHE A 38 6.023 12.867 -7.674 1.00 0.00 H new ATOM 0 HE2 PHE A 38 8.857 12.469 -4.514 1.00 0.00 H new ATOM 0 HZ PHE A 38 7.300 13.862 -5.819 1.00 0.00 H new ATOM 571 N TRP A 39 7.534 8.028 -10.000 1.00 0.00 N ATOM 572 CA TRP A 39 7.024 8.263 -11.345 1.00 0.00 C ATOM 573 C TRP A 39 5.895 9.289 -11.312 1.00 0.00 C ATOM 574 O TRP A 39 5.108 9.340 -10.364 1.00 0.00 O ATOM 575 CB TRP A 39 6.534 6.938 -11.950 1.00 0.00 C ATOM 576 CG TRP A 39 5.883 7.074 -13.297 1.00 0.00 C ATOM 577 CD1 TRP A 39 6.503 7.170 -14.512 1.00 0.00 C ATOM 578 CD2 TRP A 39 4.474 7.120 -13.565 1.00 0.00 C ATOM 579 NE1 TRP A 39 5.568 7.272 -15.510 1.00 0.00 N ATOM 580 CE2 TRP A 39 4.318 7.245 -14.955 1.00 0.00 C ATOM 581 CE3 TRP A 39 3.331 7.068 -12.761 1.00 0.00 C ATOM 582 CZ2 TRP A 39 3.067 7.319 -15.562 1.00 0.00 C ATOM 583 CZ3 TRP A 39 2.089 7.141 -13.364 1.00 0.00 C ATOM 584 CH2 TRP A 39 1.967 7.265 -14.752 1.00 0.00 C ATOM 0 H TRP A 39 7.112 7.230 -9.525 1.00 0.00 H new ATOM 0 HA TRP A 39 7.826 8.660 -11.968 1.00 0.00 H new ATOM 0 HB2 TRP A 39 7.381 6.257 -12.036 1.00 0.00 H new ATOM 0 HB3 TRP A 39 5.824 6.479 -11.262 1.00 0.00 H new ATOM 0 HD1 TRP A 39 7.572 7.166 -14.663 1.00 0.00 H new ATOM 0 HE1 TRP A 39 5.772 7.355 -16.506 1.00 0.00 H new ATOM 0 HE3 TRP A 39 3.417 6.973 -11.689 1.00 0.00 H new ATOM 0 HZ2 TRP A 39 2.969 7.416 -16.633 1.00 0.00 H new ATOM 0 HZ3 TRP A 39 1.199 7.102 -12.754 1.00 0.00 H new ATOM 0 HH2 TRP A 39 0.983 7.319 -15.193 1.00 0.00 H new ATOM 595 N THR A 40 5.833 10.116 -12.343 1.00 0.00 N ATOM 596 CA THR A 40 4.823 11.148 -12.421 1.00 0.00 C ATOM 597 C THR A 40 4.419 11.392 -13.872 1.00 0.00 C ATOM 598 O THR A 40 5.250 11.338 -14.781 1.00 0.00 O ATOM 599 CB THR A 40 5.315 12.463 -11.767 1.00 0.00 C ATOM 600 OG1 THR A 40 4.264 13.435 -11.744 1.00 0.00 O ATOM 601 CG2 THR A 40 6.522 13.033 -12.500 1.00 0.00 C ATOM 0 H THR A 40 6.473 10.089 -13.137 1.00 0.00 H new ATOM 0 HA THR A 40 3.949 10.804 -11.868 1.00 0.00 H new ATOM 0 HB THR A 40 5.613 12.228 -10.745 1.00 0.00 H new ATOM 0 HG1 THR A 40 3.397 12.979 -11.753 1.00 0.00 H new ATOM 0 HG21 THR A 40 6.841 13.955 -12.014 1.00 0.00 H new ATOM 0 HG22 THR A 40 7.337 12.310 -12.476 1.00 0.00 H new ATOM 0 HG23 THR A 40 6.253 13.242 -13.535 1.00 0.00 H new ATOM 609 N THR A 41 3.136 11.627 -14.081 1.00 0.00 N ATOM 610 CA THR A 41 2.606 11.917 -15.399 1.00 0.00 C ATOM 611 C THR A 41 2.888 13.369 -15.775 1.00 0.00 C ATOM 612 O THR A 41 2.750 14.269 -14.943 1.00 0.00 O ATOM 613 CB THR A 41 1.090 11.652 -15.434 1.00 0.00 C ATOM 614 OG1 THR A 41 0.824 10.334 -14.942 1.00 0.00 O ATOM 615 CG2 THR A 41 0.531 11.793 -16.843 1.00 0.00 C ATOM 0 H THR A 41 2.433 11.622 -13.342 1.00 0.00 H new ATOM 0 HA THR A 41 3.096 11.264 -16.121 1.00 0.00 H new ATOM 0 HB THR A 41 0.602 12.394 -14.802 1.00 0.00 H new ATOM 0 HG1 THR A 41 -0.053 10.319 -14.505 1.00 0.00 H new ATOM 0 HG21 THR A 41 -0.542 11.599 -16.830 1.00 0.00 H new ATOM 0 HG22 THR A 41 0.713 12.804 -17.207 1.00 0.00 H new ATOM 0 HG23 THR A 41 1.021 11.077 -17.502 1.00 0.00 H new ATOM 623 N THR A 42 3.277 13.595 -17.025 1.00 0.00 N ATOM 624 CA THR A 42 3.625 14.930 -17.484 1.00 0.00 C ATOM 625 C THR A 42 2.393 15.710 -17.941 1.00 0.00 C ATOM 626 O THR A 42 2.506 16.815 -18.471 1.00 0.00 O ATOM 627 CB THR A 42 4.663 14.876 -18.618 1.00 0.00 C ATOM 628 OG1 THR A 42 4.262 13.928 -19.616 1.00 0.00 O ATOM 629 CG2 THR A 42 6.033 14.498 -18.076 1.00 0.00 C ATOM 0 H THR A 42 3.359 12.869 -17.737 1.00 0.00 H new ATOM 0 HA THR A 42 4.063 15.453 -16.634 1.00 0.00 H new ATOM 0 HB THR A 42 4.724 15.867 -19.068 1.00 0.00 H new ATOM 0 HG1 THR A 42 4.930 13.905 -20.332 1.00 0.00 H new ATOM 0 HG21 THR A 42 6.752 14.466 -18.895 1.00 0.00 H new ATOM 0 HG22 THR A 42 6.351 15.239 -17.343 1.00 0.00 H new ATOM 0 HG23 THR A 42 5.979 13.518 -17.602 1.00 0.00 H new ATOM 637 N GLY A 43 1.217 15.126 -17.734 1.00 0.00 N ATOM 638 CA GLY A 43 -0.015 15.846 -17.980 1.00 0.00 C ATOM 639 C GLY A 43 -0.726 15.427 -19.249 1.00 0.00 C ATOM 640 O GLY A 43 -1.149 16.275 -20.033 1.00 0.00 O ATOM 0 H GLY A 43 1.097 14.169 -17.401 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -0.686 15.699 -17.134 1.00 0.00 H new ATOM 0 HA3 GLY A 43 0.203 16.913 -18.032 1.00 0.00 H new ATOM 644 N MET A 44 -0.870 14.131 -19.461 1.00 0.00 N ATOM 645 CA MET A 44 -1.642 13.639 -20.590 1.00 0.00 C ATOM 646 C MET A 44 -2.750 12.721 -20.096 1.00 0.00 C ATOM 647 O MET A 44 -2.485 11.688 -19.483 1.00 0.00 O ATOM 648 CB MET A 44 -0.746 12.910 -21.596 1.00 0.00 C ATOM 649 CG MET A 44 -1.487 12.463 -22.849 1.00 0.00 C ATOM 650 SD MET A 44 -0.391 11.789 -24.116 1.00 0.00 S ATOM 651 CE MET A 44 0.346 10.415 -23.234 1.00 0.00 C ATOM 0 H MET A 44 -0.466 13.404 -18.871 1.00 0.00 H new ATOM 0 HA MET A 44 -2.088 14.492 -21.102 1.00 0.00 H new ATOM 0 HB2 MET A 44 0.075 13.567 -21.883 1.00 0.00 H new ATOM 0 HB3 MET A 44 -0.304 12.038 -21.113 1.00 0.00 H new ATOM 0 HG2 MET A 44 -2.226 11.709 -22.578 1.00 0.00 H new ATOM 0 HG3 MET A 44 -2.033 13.311 -23.263 1.00 0.00 H new ATOM 0 HE1 MET A 44 0.834 9.747 -23.944 1.00 0.00 H new ATOM 0 HE2 MET A 44 1.082 10.791 -22.524 1.00 0.00 H new ATOM 0 HE3 MET A 44 -0.430 9.869 -22.697 1.00 0.00 H new ATOM 661 N PHE A 45 -3.986 13.122 -20.346 1.00 0.00 N ATOM 662 CA PHE A 45 -5.148 12.369 -19.898 1.00 0.00 C ATOM 663 C PHE A 45 -5.801 11.667 -21.081 1.00 0.00 C ATOM 664 O PHE A 45 -5.888 12.237 -22.170 1.00 0.00 O ATOM 665 CB PHE A 45 -6.165 13.298 -19.225 1.00 0.00 C ATOM 666 CG PHE A 45 -5.641 14.003 -18.007 1.00 0.00 C ATOM 667 CD1 PHE A 45 -4.944 15.197 -18.122 1.00 0.00 C ATOM 668 CD2 PHE A 45 -5.853 13.476 -16.744 1.00 0.00 C ATOM 669 CE1 PHE A 45 -4.467 15.847 -17.001 1.00 0.00 C ATOM 670 CE2 PHE A 45 -5.379 14.122 -15.620 1.00 0.00 C ATOM 671 CZ PHE A 45 -4.685 15.309 -15.748 1.00 0.00 C ATOM 0 H PHE A 45 -4.212 13.973 -20.862 1.00 0.00 H new ATOM 0 HA PHE A 45 -4.818 11.625 -19.173 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -6.495 14.043 -19.949 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -7.043 12.716 -18.945 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -4.773 15.623 -19.100 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -6.396 12.548 -16.637 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -3.924 16.775 -17.104 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -5.551 13.699 -14.641 1.00 0.00 H new ATOM 0 HZ PHE A 45 -4.313 15.816 -14.870 1.00 0.00 H new ATOM 681 N PRO A 46 -6.277 10.429 -20.886 1.00 0.00 N ATOM 682 CA PRO A 46 -6.197 9.723 -19.606 1.00 0.00 C ATOM 683 C PRO A 46 -4.816 9.118 -19.364 1.00 0.00 C ATOM 684 O PRO A 46 -4.001 9.006 -20.281 1.00 0.00 O ATOM 685 CB PRO A 46 -7.254 8.611 -19.731 1.00 0.00 C ATOM 686 CG PRO A 46 -7.905 8.805 -21.066 1.00 0.00 C ATOM 687 CD PRO A 46 -6.945 9.609 -21.893 1.00 0.00 C ATOM 0 HA PRO A 46 -6.369 10.395 -18.765 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -6.793 7.626 -19.662 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -7.987 8.678 -18.927 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -8.115 7.846 -21.538 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -8.857 9.325 -20.962 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -6.242 8.974 -22.432 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -7.460 10.217 -22.637 1.00 0.00 H new ATOM 695 N GLN A 47 -4.564 8.728 -18.128 1.00 0.00 N ATOM 696 CA GLN A 47 -3.277 8.164 -17.759 1.00 0.00 C ATOM 697 C GLN A 47 -3.419 6.668 -17.536 1.00 0.00 C ATOM 698 O GLN A 47 -4.038 6.242 -16.574 1.00 0.00 O ATOM 699 CB GLN A 47 -2.780 8.824 -16.471 1.00 0.00 C ATOM 700 CG GLN A 47 -2.796 10.344 -16.516 1.00 0.00 C ATOM 701 CD GLN A 47 -2.491 10.967 -15.169 1.00 0.00 C ATOM 702 OE1 GLN A 47 -1.764 10.403 -14.357 1.00 0.00 O ATOM 703 NE2 GLN A 47 -3.041 12.144 -14.924 1.00 0.00 N ATOM 0 H GLN A 47 -5.234 8.791 -17.361 1.00 0.00 H new ATOM 0 HA GLN A 47 -2.562 8.345 -18.562 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -3.399 8.488 -15.639 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -1.763 8.486 -16.269 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -2.065 10.690 -17.247 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -3.774 10.684 -16.857 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -3.640 12.582 -15.623 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -2.866 12.614 -14.036 1.00 0.00 H new ATOM 712 N GLU A 48 -2.834 5.864 -18.405 1.00 0.00 N ATOM 713 CA GLU A 48 -2.949 4.425 -18.265 1.00 0.00 C ATOM 714 C GLU A 48 -1.578 3.768 -18.200 1.00 0.00 C ATOM 715 O GLU A 48 -0.669 4.119 -18.956 1.00 0.00 O ATOM 716 CB GLU A 48 -3.785 3.831 -19.404 1.00 0.00 C ATOM 717 CG GLU A 48 -3.273 4.167 -20.798 1.00 0.00 C ATOM 718 CD GLU A 48 -4.130 3.562 -21.890 1.00 0.00 C ATOM 719 OE1 GLU A 48 -4.021 2.339 -22.129 1.00 0.00 O ATOM 720 OE2 GLU A 48 -4.924 4.303 -22.504 1.00 0.00 O ATOM 0 H GLU A 48 -2.282 6.177 -19.204 1.00 0.00 H new ATOM 0 HA GLU A 48 -3.462 4.221 -17.325 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -3.813 2.747 -19.291 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -4.811 4.188 -19.311 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -3.245 5.250 -20.920 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -2.249 3.808 -20.902 1.00 0.00 H new ATOM 727 N PHE A 49 -1.430 2.847 -17.262 1.00 0.00 N ATOM 728 CA PHE A 49 -0.212 2.060 -17.134 1.00 0.00 C ATOM 729 C PHE A 49 -0.536 0.708 -16.511 1.00 0.00 C ATOM 730 O PHE A 49 -1.478 0.592 -15.722 1.00 0.00 O ATOM 731 CB PHE A 49 0.850 2.808 -16.311 1.00 0.00 C ATOM 732 CG PHE A 49 0.446 3.140 -14.897 1.00 0.00 C ATOM 733 CD1 PHE A 49 -0.279 4.289 -14.619 1.00 0.00 C ATOM 734 CD2 PHE A 49 0.807 2.310 -13.847 1.00 0.00 C ATOM 735 CE1 PHE A 49 -0.638 4.601 -13.322 1.00 0.00 C ATOM 736 CE2 PHE A 49 0.454 2.619 -12.547 1.00 0.00 C ATOM 737 CZ PHE A 49 -0.271 3.766 -12.284 1.00 0.00 C ATOM 0 H PHE A 49 -2.146 2.624 -16.571 1.00 0.00 H new ATOM 0 HA PHE A 49 0.205 1.898 -18.128 1.00 0.00 H new ATOM 0 HB2 PHE A 49 1.756 2.203 -16.281 1.00 0.00 H new ATOM 0 HB3 PHE A 49 1.102 3.734 -16.828 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -0.566 4.947 -15.426 1.00 0.00 H new ATOM 0 HD2 PHE A 49 1.371 1.411 -14.047 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -1.205 5.497 -13.119 1.00 0.00 H new ATOM 0 HE2 PHE A 49 0.744 1.965 -11.738 1.00 0.00 H new ATOM 0 HZ PHE A 49 -0.550 4.009 -11.269 1.00 0.00 H new ATOM 747 N ILE A 50 0.224 -0.313 -16.874 1.00 0.00 N ATOM 748 CA ILE A 50 -0.056 -1.665 -16.417 1.00 0.00 C ATOM 749 C ILE A 50 1.112 -2.216 -15.604 1.00 0.00 C ATOM 750 O ILE A 50 2.272 -1.927 -15.886 1.00 0.00 O ATOM 751 CB ILE A 50 -0.338 -2.610 -17.610 1.00 0.00 C ATOM 752 CG1 ILE A 50 -1.396 -2.003 -18.537 1.00 0.00 C ATOM 753 CG2 ILE A 50 -0.792 -3.980 -17.118 1.00 0.00 C ATOM 754 CD1 ILE A 50 -1.665 -2.828 -19.779 1.00 0.00 C ATOM 0 H ILE A 50 1.038 -0.232 -17.483 1.00 0.00 H new ATOM 0 HA ILE A 50 -0.943 -1.617 -15.785 1.00 0.00 H new ATOM 0 HB ILE A 50 0.588 -2.734 -18.171 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -2.327 -1.884 -17.982 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -1.074 -1.006 -18.837 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -0.985 -4.628 -17.973 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -0.012 -4.421 -16.497 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -1.704 -3.872 -16.532 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -2.425 -2.335 -20.386 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -0.746 -2.926 -20.357 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -2.018 -3.818 -19.489 1.00 0.00 H new ATOM 766 N ILE A 51 0.800 -2.988 -14.578 1.00 0.00 N ATOM 767 CA ILE A 51 1.812 -3.676 -13.801 1.00 0.00 C ATOM 768 C ILE A 51 1.587 -5.182 -13.890 1.00 0.00 C ATOM 769 O ILE A 51 0.531 -5.682 -13.499 1.00 0.00 O ATOM 770 CB ILE A 51 1.790 -3.239 -12.318 1.00 0.00 C ATOM 771 CG1 ILE A 51 1.928 -1.716 -12.208 1.00 0.00 C ATOM 772 CG2 ILE A 51 2.904 -3.934 -11.543 1.00 0.00 C ATOM 773 CD1 ILE A 51 1.843 -1.192 -10.789 1.00 0.00 C ATOM 0 H ILE A 51 -0.156 -3.154 -14.263 1.00 0.00 H new ATOM 0 HA ILE A 51 2.786 -3.415 -14.214 1.00 0.00 H new ATOM 0 HB ILE A 51 0.834 -3.531 -11.884 1.00 0.00 H new ATOM 0 HG12 ILE A 51 2.883 -1.416 -12.639 1.00 0.00 H new ATOM 0 HG13 ILE A 51 1.147 -1.246 -12.806 1.00 0.00 H new ATOM 0 HG21 ILE A 51 2.875 -3.616 -10.501 1.00 0.00 H new ATOM 0 HG22 ILE A 51 2.766 -5.014 -11.597 1.00 0.00 H new ATOM 0 HG23 ILE A 51 3.869 -3.670 -11.977 1.00 0.00 H new ATOM 0 HD11 ILE A 51 1.949 -0.107 -10.795 1.00 0.00 H new ATOM 0 HD12 ILE A 51 0.878 -1.460 -10.360 1.00 0.00 H new ATOM 0 HD13 ILE A 51 2.641 -1.632 -10.190 1.00 0.00 H new ATOM 785 N CYS A 52 2.567 -5.894 -14.428 1.00 0.00 N ATOM 786 CA CYS A 52 2.478 -7.340 -14.557 1.00 0.00 C ATOM 787 C CYS A 52 3.317 -8.007 -13.477 1.00 0.00 C ATOM 788 O CYS A 52 4.530 -7.825 -13.425 1.00 0.00 O ATOM 789 CB CYS A 52 2.947 -7.791 -15.942 1.00 0.00 C ATOM 790 SG CYS A 52 2.852 -9.579 -16.204 1.00 0.00 S ATOM 0 H CYS A 52 3.435 -5.492 -14.783 1.00 0.00 H new ATOM 0 HA CYS A 52 1.436 -7.636 -14.436 1.00 0.00 H new ATOM 0 HB2 CYS A 52 2.344 -7.290 -16.700 1.00 0.00 H new ATOM 0 HB3 CYS A 52 3.977 -7.467 -16.089 1.00 0.00 H new ATOM 0 HG CYS A 52 2.011 -9.833 -17.163 1.00 0.00 H new ATOM 796 N PHE A 53 2.666 -8.784 -12.626 1.00 0.00 N ATOM 797 CA PHE A 53 3.337 -9.416 -11.495 1.00 0.00 C ATOM 798 C PHE A 53 4.269 -10.538 -11.944 1.00 0.00 C ATOM 799 O PHE A 53 5.166 -10.931 -11.202 1.00 0.00 O ATOM 800 CB PHE A 53 2.306 -9.969 -10.507 1.00 0.00 C ATOM 801 CG PHE A 53 1.476 -8.908 -9.844 1.00 0.00 C ATOM 802 CD1 PHE A 53 1.933 -8.274 -8.702 1.00 0.00 C ATOM 803 CD2 PHE A 53 0.243 -8.548 -10.360 1.00 0.00 C ATOM 804 CE1 PHE A 53 1.176 -7.298 -8.085 1.00 0.00 C ATOM 805 CE2 PHE A 53 -0.519 -7.572 -9.748 1.00 0.00 C ATOM 806 CZ PHE A 53 -0.050 -6.947 -8.609 1.00 0.00 C ATOM 0 H PHE A 53 1.670 -8.994 -12.695 1.00 0.00 H new ATOM 0 HA PHE A 53 3.940 -8.651 -11.006 1.00 0.00 H new ATOM 0 HB2 PHE A 53 1.646 -10.659 -11.033 1.00 0.00 H new ATOM 0 HB3 PHE A 53 2.823 -10.545 -9.740 1.00 0.00 H new ATOM 0 HD1 PHE A 53 2.893 -8.546 -8.289 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -0.127 -9.035 -11.250 1.00 0.00 H new ATOM 0 HE1 PHE A 53 1.543 -6.811 -7.194 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -1.479 -7.298 -10.159 1.00 0.00 H new ATOM 0 HZ PHE A 53 -0.644 -6.183 -8.129 1.00 0.00 H new ATOM 816 N HIS A 54 4.039 -11.053 -13.159 1.00 0.00 N ATOM 817 CA HIS A 54 4.813 -12.188 -13.689 1.00 0.00 C ATOM 818 C HIS A 54 4.591 -13.436 -12.839 1.00 0.00 C ATOM 819 O HIS A 54 5.298 -14.432 -12.983 1.00 0.00 O ATOM 820 CB HIS A 54 6.319 -11.874 -13.724 1.00 0.00 C ATOM 821 CG HIS A 54 6.750 -10.964 -14.833 1.00 0.00 C ATOM 822 ND1 HIS A 54 8.037 -10.947 -15.324 1.00 0.00 N ATOM 823 CD2 HIS A 54 6.067 -10.044 -15.549 1.00 0.00 C ATOM 824 CE1 HIS A 54 8.125 -10.059 -16.295 1.00 0.00 C ATOM 825 NE2 HIS A 54 6.941 -9.498 -16.455 1.00 0.00 N ATOM 0 H HIS A 54 3.323 -10.703 -13.795 1.00 0.00 H new ATOM 0 HA HIS A 54 4.463 -12.367 -14.706 1.00 0.00 H new ATOM 0 HB2 HIS A 54 6.603 -11.423 -12.773 1.00 0.00 H new ATOM 0 HB3 HIS A 54 6.868 -12.812 -13.809 1.00 0.00 H new ATOM 0 HD2 HIS A 54 5.025 -9.786 -15.430 1.00 0.00 H new ATOM 0 HE1 HIS A 54 9.015 -9.830 -16.863 1.00 0.00 H new ATOM 0 HE2 HIS A 54 6.713 -8.777 -17.140 1.00 0.00 H new ATOM 833 N LYS A 55 3.590 -13.384 -11.972 1.00 0.00 N ATOM 834 CA LYS A 55 3.420 -14.390 -10.943 1.00 0.00 C ATOM 835 C LYS A 55 1.991 -14.358 -10.410 1.00 0.00 C ATOM 836 O LYS A 55 1.317 -13.333 -10.499 1.00 0.00 O ATOM 837 CB LYS A 55 4.430 -14.103 -9.824 1.00 0.00 C ATOM 838 CG LYS A 55 4.426 -15.091 -8.674 1.00 0.00 C ATOM 839 CD LYS A 55 5.582 -14.819 -7.723 1.00 0.00 C ATOM 840 CE LYS A 55 5.482 -13.443 -7.085 1.00 0.00 C ATOM 841 NZ LYS A 55 6.706 -13.101 -6.314 1.00 0.00 N ATOM 0 H LYS A 55 2.882 -12.650 -11.964 1.00 0.00 H new ATOM 0 HA LYS A 55 3.598 -15.386 -11.350 1.00 0.00 H new ATOM 0 HB2 LYS A 55 5.430 -14.080 -10.257 1.00 0.00 H new ATOM 0 HB3 LYS A 55 4.232 -13.108 -9.426 1.00 0.00 H new ATOM 0 HG2 LYS A 55 3.482 -15.023 -8.134 1.00 0.00 H new ATOM 0 HG3 LYS A 55 4.500 -16.107 -9.062 1.00 0.00 H new ATOM 0 HD2 LYS A 55 5.597 -15.580 -6.943 1.00 0.00 H new ATOM 0 HD3 LYS A 55 6.524 -14.900 -8.265 1.00 0.00 H new ATOM 0 HE2 LYS A 55 5.320 -12.694 -7.860 1.00 0.00 H new ATOM 0 HE3 LYS A 55 4.616 -13.411 -6.424 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 6.446 -12.528 -5.486 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 7.172 -13.975 -5.997 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 7.357 -12.561 -6.918 1.00 0.00 H new ATOM 855 N HIS A 56 1.527 -15.479 -9.875 1.00 0.00 N ATOM 856 CA HIS A 56 0.197 -15.541 -9.280 1.00 0.00 C ATOM 857 C HIS A 56 0.285 -15.137 -7.820 1.00 0.00 C ATOM 858 O HIS A 56 0.940 -15.811 -7.025 1.00 0.00 O ATOM 859 CB HIS A 56 -0.406 -16.946 -9.388 1.00 0.00 C ATOM 860 CG HIS A 56 -0.532 -17.460 -10.790 1.00 0.00 C ATOM 861 ND1 HIS A 56 -1.705 -17.422 -11.508 1.00 0.00 N ATOM 862 CD2 HIS A 56 0.379 -18.051 -11.595 1.00 0.00 C ATOM 863 CE1 HIS A 56 -1.510 -17.971 -12.692 1.00 0.00 C ATOM 864 NE2 HIS A 56 -0.251 -18.362 -12.773 1.00 0.00 N ATOM 0 H HIS A 56 2.048 -16.355 -9.840 1.00 0.00 H new ATOM 0 HA HIS A 56 -0.453 -14.856 -9.825 1.00 0.00 H new ATOM 0 HB2 HIS A 56 0.211 -17.638 -8.815 1.00 0.00 H new ATOM 0 HB3 HIS A 56 -1.393 -16.941 -8.926 1.00 0.00 H new ATOM 0 HD2 HIS A 56 1.414 -18.243 -11.354 1.00 0.00 H new ATOM 0 HE1 HIS A 56 -2.255 -18.082 -13.466 1.00 0.00 H new ATOM 0 HE2 HIS A 56 0.180 -18.819 -13.577 1.00 0.00 H new ATOM 872 N VAL A 57 -0.354 -14.037 -7.469 1.00 0.00 N ATOM 873 CA VAL A 57 -0.284 -13.529 -6.110 1.00 0.00 C ATOM 874 C VAL A 57 -1.671 -13.335 -5.511 1.00 0.00 C ATOM 875 O VAL A 57 -2.614 -12.937 -6.198 1.00 0.00 O ATOM 876 CB VAL A 57 0.503 -12.197 -6.039 1.00 0.00 C ATOM 877 CG1 VAL A 57 1.983 -12.433 -6.305 1.00 0.00 C ATOM 878 CG2 VAL A 57 -0.057 -11.183 -7.027 1.00 0.00 C ATOM 0 H VAL A 57 -0.926 -13.479 -8.103 1.00 0.00 H new ATOM 0 HA VAL A 57 0.247 -14.280 -5.525 1.00 0.00 H new ATOM 0 HB VAL A 57 0.391 -11.793 -5.033 1.00 0.00 H new ATOM 0 HG11 VAL A 57 2.518 -11.485 -6.251 1.00 0.00 H new ATOM 0 HG12 VAL A 57 2.382 -13.118 -5.557 1.00 0.00 H new ATOM 0 HG13 VAL A 57 2.110 -12.865 -7.298 1.00 0.00 H new ATOM 0 HG21 VAL A 57 0.512 -10.256 -6.959 1.00 0.00 H new ATOM 0 HG22 VAL A 57 0.018 -11.581 -8.039 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -1.103 -10.985 -6.792 1.00 0.00 H new ATOM 888 N ARG A 58 -1.787 -13.651 -4.229 1.00 0.00 N ATOM 889 CA ARG A 58 -3.004 -13.407 -3.474 1.00 0.00 C ATOM 890 C ARG A 58 -3.012 -11.980 -2.963 1.00 0.00 C ATOM 891 O ARG A 58 -2.247 -11.637 -2.057 1.00 0.00 O ATOM 892 CB ARG A 58 -3.117 -14.355 -2.277 1.00 0.00 C ATOM 893 CG ARG A 58 -3.608 -15.757 -2.607 1.00 0.00 C ATOM 894 CD ARG A 58 -4.997 -15.752 -3.241 1.00 0.00 C ATOM 895 NE ARG A 58 -5.894 -14.741 -2.663 1.00 0.00 N ATOM 896 CZ ARG A 58 -6.291 -14.701 -1.388 1.00 0.00 C ATOM 897 NH1 ARG A 58 -5.916 -15.637 -0.522 1.00 0.00 N ATOM 898 NH2 ARG A 58 -7.089 -13.725 -0.987 1.00 0.00 N ATOM 0 H ARG A 58 -1.040 -14.083 -3.685 1.00 0.00 H new ATOM 0 HA ARG A 58 -3.849 -13.579 -4.141 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -2.139 -14.432 -1.801 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -3.794 -13.913 -1.546 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -2.903 -16.236 -3.287 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -3.629 -16.356 -1.696 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -4.900 -15.573 -4.312 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -5.447 -16.738 -3.123 1.00 0.00 H new ATOM 0 HE ARG A 58 -6.241 -14.011 -3.285 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -5.315 -16.403 -0.827 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -6.229 -15.590 0.448 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -7.395 -13.012 -1.649 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -7.398 -13.685 -0.016 1.00 0.00 H new ATOM 912 N ILE A 59 -3.861 -11.160 -3.553 1.00 0.00 N ATOM 913 CA ILE A 59 -4.000 -9.777 -3.138 1.00 0.00 C ATOM 914 C ILE A 59 -5.156 -9.647 -2.160 1.00 0.00 C ATOM 915 O ILE A 59 -6.302 -9.956 -2.495 1.00 0.00 O ATOM 916 CB ILE A 59 -4.246 -8.846 -4.346 1.00 0.00 C ATOM 917 CG1 ILE A 59 -3.108 -8.985 -5.363 1.00 0.00 C ATOM 918 CG2 ILE A 59 -4.382 -7.398 -3.886 1.00 0.00 C ATOM 919 CD1 ILE A 59 -3.318 -8.184 -6.630 1.00 0.00 C ATOM 0 H ILE A 59 -4.469 -11.430 -4.326 1.00 0.00 H new ATOM 0 HA ILE A 59 -3.068 -9.477 -2.658 1.00 0.00 H new ATOM 0 HB ILE A 59 -5.179 -9.140 -4.828 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -2.175 -8.669 -4.896 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -2.994 -10.037 -5.624 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -4.555 -6.756 -4.750 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -5.222 -7.313 -3.197 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -3.466 -7.089 -3.382 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -2.471 -8.334 -7.300 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -4.233 -8.515 -7.122 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -3.402 -7.126 -6.382 1.00 0.00 H new ATOM 931 N GLU A 60 -4.847 -9.235 -0.940 1.00 0.00 N ATOM 932 CA GLU A 60 -5.876 -8.998 0.063 1.00 0.00 C ATOM 933 C GLU A 60 -5.753 -7.578 0.595 1.00 0.00 C ATOM 934 O GLU A 60 -6.478 -7.164 1.501 1.00 0.00 O ATOM 935 CB GLU A 60 -5.767 -10.015 1.205 1.00 0.00 C ATOM 936 CG GLU A 60 -5.628 -11.450 0.720 1.00 0.00 C ATOM 937 CD GLU A 60 -6.041 -12.477 1.752 1.00 0.00 C ATOM 938 OE1 GLU A 60 -5.261 -12.748 2.682 1.00 0.00 O ATOM 939 OE2 GLU A 60 -7.152 -13.037 1.616 1.00 0.00 O ATOM 0 H GLU A 60 -3.895 -9.058 -0.620 1.00 0.00 H new ATOM 0 HA GLU A 60 -6.855 -9.120 -0.400 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -4.907 -9.763 1.826 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -6.651 -9.937 1.838 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -6.234 -11.583 -0.176 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -4.592 -11.630 0.434 1.00 0.00 H new ATOM 946 N ARG A 61 -4.836 -6.830 -0.003 1.00 0.00 N ATOM 947 CA ARG A 61 -4.557 -5.467 0.410 1.00 0.00 C ATOM 948 C ARG A 61 -3.894 -4.688 -0.720 1.00 0.00 C ATOM 949 O ARG A 61 -3.012 -5.197 -1.401 1.00 0.00 O ATOM 950 CB ARG A 61 -3.650 -5.470 1.648 1.00 0.00 C ATOM 951 CG ARG A 61 -3.043 -4.115 1.976 1.00 0.00 C ATOM 952 CD ARG A 61 -4.091 -3.102 2.396 1.00 0.00 C ATOM 953 NE ARG A 61 -4.640 -3.388 3.720 1.00 0.00 N ATOM 954 CZ ARG A 61 -4.240 -2.769 4.828 1.00 0.00 C ATOM 955 NH1 ARG A 61 -3.219 -1.923 4.778 1.00 0.00 N ATOM 956 NH2 ARG A 61 -4.840 -3.013 5.984 1.00 0.00 N ATOM 0 H ARG A 61 -4.267 -7.152 -0.786 1.00 0.00 H new ATOM 0 HA ARG A 61 -5.500 -4.980 0.658 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -4.226 -5.815 2.506 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -2.845 -6.189 1.494 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -2.312 -4.231 2.776 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -2.506 -3.739 1.105 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -3.650 -2.105 2.396 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -4.899 -3.094 1.664 1.00 0.00 H new ATOM 0 HE ARG A 61 -5.367 -4.099 3.799 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -2.744 -1.749 3.892 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -2.909 -1.447 5.625 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -5.612 -3.678 6.027 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -4.530 -2.536 6.830 1.00 0.00 H new ATOM 970 N LEU A 62 -4.344 -3.463 -0.924 1.00 0.00 N ATOM 971 CA LEU A 62 -3.710 -2.549 -1.856 1.00 0.00 C ATOM 972 C LEU A 62 -3.323 -1.269 -1.132 1.00 0.00 C ATOM 973 O LEU A 62 -4.185 -0.549 -0.632 1.00 0.00 O ATOM 974 CB LEU A 62 -4.648 -2.217 -3.022 1.00 0.00 C ATOM 975 CG LEU A 62 -4.941 -3.367 -3.988 1.00 0.00 C ATOM 976 CD1 LEU A 62 -5.960 -2.935 -5.029 1.00 0.00 C ATOM 977 CD2 LEU A 62 -3.665 -3.836 -4.666 1.00 0.00 C ATOM 0 H LEU A 62 -5.158 -3.074 -0.449 1.00 0.00 H new ATOM 0 HA LEU A 62 -2.818 -3.030 -2.258 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -5.594 -1.861 -2.613 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -4.215 -1.393 -3.589 1.00 0.00 H new ATOM 0 HG LEU A 62 -5.353 -4.198 -3.416 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -6.159 -3.763 -5.709 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -6.886 -2.643 -4.533 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -5.568 -2.089 -5.593 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -3.895 -4.654 -5.349 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -3.225 -3.010 -5.225 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -2.958 -4.181 -3.912 1.00 0.00 H new ATOM 989 N VAL A 63 -2.033 -1.004 -1.044 1.00 0.00 N ATOM 990 CA VAL A 63 -1.562 0.242 -0.462 1.00 0.00 C ATOM 991 C VAL A 63 -1.349 1.256 -1.569 1.00 0.00 C ATOM 992 O VAL A 63 -0.368 1.182 -2.316 1.00 0.00 O ATOM 993 CB VAL A 63 -0.254 0.068 0.342 1.00 0.00 C ATOM 994 CG1 VAL A 63 0.239 1.413 0.866 1.00 0.00 C ATOM 995 CG2 VAL A 63 -0.459 -0.905 1.492 1.00 0.00 C ATOM 0 H VAL A 63 -1.295 -1.630 -1.366 1.00 0.00 H new ATOM 0 HA VAL A 63 -2.323 0.587 0.238 1.00 0.00 H new ATOM 0 HB VAL A 63 0.504 -0.340 -0.326 1.00 0.00 H new ATOM 0 HG11 VAL A 63 1.161 1.268 1.429 1.00 0.00 H new ATOM 0 HG12 VAL A 63 0.428 2.083 0.027 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -0.519 1.850 1.516 1.00 0.00 H new ATOM 0 HG21 VAL A 63 0.473 -1.015 2.046 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -1.234 -0.524 2.157 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -0.763 -1.875 1.098 1.00 0.00 H new ATOM 1005 N ILE A 64 -2.287 2.175 -1.700 1.00 0.00 N ATOM 1006 CA ILE A 64 -2.221 3.165 -2.756 1.00 0.00 C ATOM 1007 C ILE A 64 -1.693 4.484 -2.210 1.00 0.00 C ATOM 1008 O ILE A 64 -2.394 5.184 -1.486 1.00 0.00 O ATOM 1009 CB ILE A 64 -3.601 3.395 -3.410 1.00 0.00 C ATOM 1010 CG1 ILE A 64 -4.232 2.058 -3.822 1.00 0.00 C ATOM 1011 CG2 ILE A 64 -3.471 4.313 -4.619 1.00 0.00 C ATOM 1012 CD1 ILE A 64 -3.419 1.278 -4.836 1.00 0.00 C ATOM 0 H ILE A 64 -3.101 2.256 -1.090 1.00 0.00 H new ATOM 0 HA ILE A 64 -1.541 2.784 -3.518 1.00 0.00 H new ATOM 0 HB ILE A 64 -4.252 3.874 -2.678 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -4.370 1.444 -2.932 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -5.223 2.248 -4.235 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -4.453 4.465 -5.068 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -3.064 5.274 -4.304 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -2.804 3.858 -5.351 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -3.932 0.346 -5.075 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -3.303 1.871 -5.743 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -2.436 1.055 -4.420 1.00 0.00 H new ATOM 1024 N GLN A 65 -0.444 4.790 -2.532 1.00 0.00 N ATOM 1025 CA GLN A 65 0.176 6.044 -2.129 1.00 0.00 C ATOM 1026 C GLN A 65 0.340 6.946 -3.345 1.00 0.00 C ATOM 1027 O GLN A 65 1.216 6.711 -4.182 1.00 0.00 O ATOM 1028 CB GLN A 65 1.551 5.786 -1.503 1.00 0.00 C ATOM 1029 CG GLN A 65 1.530 4.807 -0.343 1.00 0.00 C ATOM 1030 CD GLN A 65 2.912 4.555 0.224 1.00 0.00 C ATOM 1031 OE1 GLN A 65 3.786 5.422 0.176 1.00 0.00 O ATOM 1032 NE2 GLN A 65 3.122 3.364 0.763 1.00 0.00 N ATOM 0 H GLN A 65 0.165 4.180 -3.077 1.00 0.00 H new ATOM 0 HA GLN A 65 -0.464 6.528 -1.391 1.00 0.00 H new ATOM 0 HB2 GLN A 65 2.223 5.407 -2.273 1.00 0.00 H new ATOM 0 HB3 GLN A 65 1.965 6.733 -1.157 1.00 0.00 H new ATOM 0 HG2 GLN A 65 0.882 5.194 0.444 1.00 0.00 H new ATOM 0 HG3 GLN A 65 1.099 3.863 -0.676 1.00 0.00 H new ATOM 0 HE21 GLN A 65 2.371 2.674 0.783 1.00 0.00 H new ATOM 0 HE22 GLN A 65 4.034 3.137 1.158 1.00 0.00 H new ATOM 1041 N SER A 66 -0.491 7.970 -3.453 1.00 0.00 N ATOM 1042 CA SER A 66 -0.468 8.830 -4.626 1.00 0.00 C ATOM 1043 C SER A 66 -0.663 10.300 -4.257 1.00 0.00 C ATOM 1044 O SER A 66 -1.050 10.624 -3.131 1.00 0.00 O ATOM 1045 CB SER A 66 -1.545 8.377 -5.614 1.00 0.00 C ATOM 1046 OG SER A 66 -2.793 8.201 -4.965 1.00 0.00 O ATOM 0 H SER A 66 -1.184 8.225 -2.750 1.00 0.00 H new ATOM 0 HA SER A 66 0.514 8.743 -5.092 1.00 0.00 H new ATOM 0 HB2 SER A 66 -1.646 9.115 -6.409 1.00 0.00 H new ATOM 0 HB3 SER A 66 -1.241 7.442 -6.084 1.00 0.00 H new ATOM 0 HG SER A 66 -3.464 7.913 -5.619 1.00 0.00 H new ATOM 1052 N TYR A 67 -0.365 11.181 -5.208 1.00 0.00 N ATOM 1053 CA TYR A 67 -0.548 12.616 -5.027 1.00 0.00 C ATOM 1054 C TYR A 67 -1.643 13.128 -5.956 1.00 0.00 C ATOM 1055 O TYR A 67 -1.606 12.870 -7.163 1.00 0.00 O ATOM 1056 CB TYR A 67 0.749 13.381 -5.321 1.00 0.00 C ATOM 1057 CG TYR A 67 1.928 13.001 -4.450 1.00 0.00 C ATOM 1058 CD1 TYR A 67 2.075 13.526 -3.172 1.00 0.00 C ATOM 1059 CD2 TYR A 67 2.903 12.127 -4.914 1.00 0.00 C ATOM 1060 CE1 TYR A 67 3.158 13.186 -2.382 1.00 0.00 C ATOM 1061 CE2 TYR A 67 3.987 11.783 -4.131 1.00 0.00 C ATOM 1062 CZ TYR A 67 4.112 12.315 -2.867 1.00 0.00 C ATOM 1063 OH TYR A 67 5.187 11.964 -2.078 1.00 0.00 O ATOM 0 H TYR A 67 0.008 10.921 -6.121 1.00 0.00 H new ATOM 0 HA TYR A 67 -0.832 12.784 -3.988 1.00 0.00 H new ATOM 0 HB2 TYR A 67 1.020 13.219 -6.364 1.00 0.00 H new ATOM 0 HB3 TYR A 67 0.558 14.448 -5.203 1.00 0.00 H new ATOM 0 HD1 TYR A 67 1.332 14.210 -2.790 1.00 0.00 H new ATOM 0 HD2 TYR A 67 2.811 11.709 -5.906 1.00 0.00 H new ATOM 0 HE1 TYR A 67 3.257 13.600 -1.390 1.00 0.00 H new ATOM 0 HE2 TYR A 67 4.734 11.100 -4.508 1.00 0.00 H new ATOM 0 HH TYR A 67 5.259 10.987 -2.039 1.00 0.00 H new ATOM 1073 N PHE A 68 -2.604 13.850 -5.382 1.00 0.00 N ATOM 1074 CA PHE A 68 -3.678 14.501 -6.140 1.00 0.00 C ATOM 1075 C PHE A 68 -4.646 13.481 -6.737 1.00 0.00 C ATOM 1076 O PHE A 68 -5.589 13.057 -6.069 1.00 0.00 O ATOM 1077 CB PHE A 68 -3.113 15.414 -7.241 1.00 0.00 C ATOM 1078 CG PHE A 68 -2.072 16.386 -6.752 1.00 0.00 C ATOM 1079 CD1 PHE A 68 -2.381 17.333 -5.789 1.00 0.00 C ATOM 1080 CD2 PHE A 68 -0.780 16.343 -7.252 1.00 0.00 C ATOM 1081 CE1 PHE A 68 -1.422 18.222 -5.337 1.00 0.00 C ATOM 1082 CE2 PHE A 68 0.182 17.228 -6.803 1.00 0.00 C ATOM 1083 CZ PHE A 68 -0.139 18.169 -5.845 1.00 0.00 C ATOM 0 H PHE A 68 -2.662 14.002 -4.375 1.00 0.00 H new ATOM 0 HA PHE A 68 -4.234 15.119 -5.435 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -2.678 14.795 -8.025 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -3.933 15.972 -7.693 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -3.382 17.378 -5.386 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -0.522 15.609 -8.001 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -1.677 18.957 -4.588 1.00 0.00 H new ATOM 0 HE2 PHE A 68 1.185 17.183 -7.202 1.00 0.00 H new ATOM 0 HZ PHE A 68 0.611 18.862 -5.494 1.00 0.00 H new ATOM 1093 N VAL A 69 -4.392 13.081 -7.988 1.00 0.00 N ATOM 1094 CA VAL A 69 -5.273 12.164 -8.721 1.00 0.00 C ATOM 1095 C VAL A 69 -6.723 12.695 -8.696 1.00 0.00 C ATOM 1096 O VAL A 69 -6.931 13.899 -8.529 1.00 0.00 O ATOM 1097 CB VAL A 69 -5.198 10.721 -8.138 1.00 0.00 C ATOM 1098 CG1 VAL A 69 -5.708 9.686 -9.135 1.00 0.00 C ATOM 1099 CG2 VAL A 69 -3.774 10.382 -7.726 1.00 0.00 C ATOM 0 H VAL A 69 -3.575 13.382 -8.519 1.00 0.00 H new ATOM 0 HA VAL A 69 -4.935 12.115 -9.756 1.00 0.00 H new ATOM 0 HB VAL A 69 -5.841 10.693 -7.259 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -5.641 8.692 -8.694 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -6.747 9.902 -9.385 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -5.102 9.723 -10.040 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -3.743 9.370 -7.322 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -3.119 10.445 -8.595 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -3.438 11.087 -6.966 1.00 0.00 H new ATOM 1109 N GLN A 70 -7.700 11.815 -8.910 1.00 0.00 N ATOM 1110 CA GLN A 70 -9.121 12.154 -8.815 1.00 0.00 C ATOM 1111 C GLN A 70 -9.966 10.938 -9.178 1.00 0.00 C ATOM 1112 O GLN A 70 -10.563 10.303 -8.313 1.00 0.00 O ATOM 1113 CB GLN A 70 -9.500 13.325 -9.730 1.00 0.00 C ATOM 1114 CG GLN A 70 -10.973 13.692 -9.668 1.00 0.00 C ATOM 1115 CD GLN A 70 -11.334 14.828 -10.603 1.00 0.00 C ATOM 1116 OE1 GLN A 70 -11.294 15.996 -10.223 1.00 0.00 O ATOM 1117 NE2 GLN A 70 -11.695 14.492 -11.830 1.00 0.00 N ATOM 0 H GLN A 70 -7.528 10.840 -9.156 1.00 0.00 H new ATOM 0 HA GLN A 70 -9.315 12.458 -7.786 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -8.905 14.196 -9.457 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -9.240 13.071 -10.758 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -11.572 12.817 -9.919 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -11.230 13.972 -8.647 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -11.715 13.510 -12.105 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -11.954 15.215 -12.501 1.00 0.00 H new ATOM 1126 N THR A 71 -9.989 10.611 -10.462 1.00 0.00 N ATOM 1127 CA THR A 71 -10.777 9.496 -10.955 1.00 0.00 C ATOM 1128 C THR A 71 -9.862 8.362 -11.408 1.00 0.00 C ATOM 1129 O THR A 71 -9.291 8.411 -12.499 1.00 0.00 O ATOM 1130 CB THR A 71 -11.677 9.939 -12.124 1.00 0.00 C ATOM 1131 OG1 THR A 71 -12.368 11.147 -11.770 1.00 0.00 O ATOM 1132 CG2 THR A 71 -12.689 8.854 -12.469 1.00 0.00 C ATOM 0 H THR A 71 -9.466 11.107 -11.184 1.00 0.00 H new ATOM 0 HA THR A 71 -11.411 9.141 -10.142 1.00 0.00 H new ATOM 0 HB THR A 71 -11.048 10.117 -12.996 1.00 0.00 H new ATOM 0 HG1 THR A 71 -12.939 11.428 -12.516 1.00 0.00 H new ATOM 0 HG21 THR A 71 -13.314 9.189 -13.297 1.00 0.00 H new ATOM 0 HG22 THR A 71 -12.163 7.944 -12.757 1.00 0.00 H new ATOM 0 HG23 THR A 71 -13.316 8.652 -11.601 1.00 0.00 H new ATOM 1140 N LEU A 72 -9.708 7.359 -10.556 1.00 0.00 N ATOM 1141 CA LEU A 72 -8.811 6.247 -10.834 1.00 0.00 C ATOM 1142 C LEU A 72 -9.571 4.930 -10.905 1.00 0.00 C ATOM 1143 O LEU A 72 -10.110 4.466 -9.904 1.00 0.00 O ATOM 1144 CB LEU A 72 -7.732 6.164 -9.749 1.00 0.00 C ATOM 1145 CG LEU A 72 -6.856 4.907 -9.783 1.00 0.00 C ATOM 1146 CD1 LEU A 72 -6.128 4.794 -11.111 1.00 0.00 C ATOM 1147 CD2 LEU A 72 -5.864 4.919 -8.632 1.00 0.00 C ATOM 0 H LEU A 72 -10.195 7.293 -9.662 1.00 0.00 H new ATOM 0 HA LEU A 72 -8.343 6.424 -11.803 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -7.086 7.038 -9.836 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -8.217 6.221 -8.774 1.00 0.00 H new ATOM 0 HG LEU A 72 -7.503 4.037 -9.674 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -5.512 3.895 -11.113 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -6.855 4.738 -11.921 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -5.493 5.669 -11.254 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -5.250 4.019 -8.671 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -5.225 5.798 -8.712 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -6.405 4.948 -7.686 1.00 0.00 H new ATOM 1159 N LYS A 73 -9.616 4.328 -12.084 1.00 0.00 N ATOM 1160 CA LYS A 73 -10.226 3.017 -12.234 1.00 0.00 C ATOM 1161 C LYS A 73 -9.148 1.939 -12.291 1.00 0.00 C ATOM 1162 O LYS A 73 -8.233 1.999 -13.116 1.00 0.00 O ATOM 1163 CB LYS A 73 -11.130 2.952 -13.479 1.00 0.00 C ATOM 1164 CG LYS A 73 -10.427 3.296 -14.782 1.00 0.00 C ATOM 1165 CD LYS A 73 -11.280 2.981 -16.009 1.00 0.00 C ATOM 1166 CE LYS A 73 -12.504 3.882 -16.126 1.00 0.00 C ATOM 1167 NZ LYS A 73 -13.676 3.358 -15.369 1.00 0.00 N ATOM 0 H LYS A 73 -9.240 4.724 -12.945 1.00 0.00 H new ATOM 0 HA LYS A 73 -10.858 2.838 -11.364 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -11.547 1.948 -13.559 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -11.968 3.635 -13.341 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -10.171 4.356 -14.784 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -9.490 2.742 -14.843 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -10.670 3.086 -16.906 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -11.603 1.941 -15.964 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -12.254 4.877 -15.758 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -12.773 3.988 -17.177 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -14.545 3.522 -15.917 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -13.557 2.338 -15.207 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -13.746 3.848 -14.454 1.00 0.00 H new ATOM 1181 N ILE A 74 -9.237 0.975 -11.387 1.00 0.00 N ATOM 1182 CA ILE A 74 -8.297 -0.133 -11.355 1.00 0.00 C ATOM 1183 C ILE A 74 -8.845 -1.303 -12.159 1.00 0.00 C ATOM 1184 O ILE A 74 -9.911 -1.837 -11.843 1.00 0.00 O ATOM 1185 CB ILE A 74 -8.006 -0.590 -9.912 1.00 0.00 C ATOM 1186 CG1 ILE A 74 -7.496 0.584 -9.074 1.00 0.00 C ATOM 1187 CG2 ILE A 74 -6.995 -1.729 -9.905 1.00 0.00 C ATOM 1188 CD1 ILE A 74 -7.449 0.290 -7.590 1.00 0.00 C ATOM 0 H ILE A 74 -9.955 0.939 -10.663 1.00 0.00 H new ATOM 0 HA ILE A 74 -7.362 0.213 -11.796 1.00 0.00 H new ATOM 0 HB ILE A 74 -8.934 -0.953 -9.471 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -6.497 0.856 -9.414 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -8.138 1.448 -9.245 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -6.802 -2.038 -8.878 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -7.393 -2.572 -10.469 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -6.065 -1.393 -10.363 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -7.078 1.166 -7.057 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -8.451 0.047 -7.235 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -6.784 -0.554 -7.407 1.00 0.00 H new ATOM 1200 N GLU A 75 -8.127 -1.682 -13.199 1.00 0.00 N ATOM 1201 CA GLU A 75 -8.550 -2.742 -14.094 1.00 0.00 C ATOM 1202 C GLU A 75 -7.724 -4.005 -13.827 1.00 0.00 C ATOM 1203 O GLU A 75 -6.504 -3.933 -13.690 1.00 0.00 O ATOM 1204 CB GLU A 75 -8.386 -2.251 -15.534 1.00 0.00 C ATOM 1205 CG GLU A 75 -9.265 -2.958 -16.546 1.00 0.00 C ATOM 1206 CD GLU A 75 -9.421 -2.157 -17.825 1.00 0.00 C ATOM 1207 OE1 GLU A 75 -8.563 -2.279 -18.724 1.00 0.00 O ATOM 1208 OE2 GLU A 75 -10.405 -1.398 -17.938 1.00 0.00 O ATOM 0 H GLU A 75 -7.231 -1.262 -13.448 1.00 0.00 H new ATOM 0 HA GLU A 75 -9.597 -2.996 -13.927 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -8.603 -1.183 -15.567 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -7.344 -2.373 -15.829 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -8.837 -3.933 -16.779 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -10.247 -3.138 -16.109 1.00 0.00 H new ATOM 1215 N LYS A 76 -8.384 -5.151 -13.735 1.00 0.00 N ATOM 1216 CA LYS A 76 -7.715 -6.395 -13.360 1.00 0.00 C ATOM 1217 C LYS A 76 -7.689 -7.383 -14.523 1.00 0.00 C ATOM 1218 O LYS A 76 -8.634 -7.454 -15.311 1.00 0.00 O ATOM 1219 CB LYS A 76 -8.414 -7.035 -12.150 1.00 0.00 C ATOM 1220 CG LYS A 76 -9.880 -7.377 -12.398 1.00 0.00 C ATOM 1221 CD LYS A 76 -10.532 -8.050 -11.195 1.00 0.00 C ATOM 1222 CE LYS A 76 -9.928 -9.417 -10.910 1.00 0.00 C ATOM 1223 NZ LYS A 76 -10.724 -10.190 -9.916 1.00 0.00 N ATOM 0 H LYS A 76 -9.383 -5.248 -13.915 1.00 0.00 H new ATOM 0 HA LYS A 76 -6.686 -6.151 -13.094 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -7.880 -7.944 -11.872 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -8.348 -6.354 -11.301 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -10.427 -6.466 -12.641 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -9.955 -8.035 -13.264 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -10.418 -7.413 -10.318 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -11.602 -8.157 -11.375 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -9.862 -9.983 -11.839 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -8.910 -9.292 -10.540 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -10.274 -11.114 -9.754 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -10.766 -9.663 -9.020 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -11.688 -10.333 -10.279 1.00 0.00 H new ATOM 1237 N SER A 77 -6.603 -8.139 -14.626 1.00 0.00 N ATOM 1238 CA SER A 77 -6.484 -9.180 -15.637 1.00 0.00 C ATOM 1239 C SER A 77 -5.742 -10.393 -15.078 1.00 0.00 C ATOM 1240 O SER A 77 -4.738 -10.251 -14.370 1.00 0.00 O ATOM 1241 CB SER A 77 -5.761 -8.645 -16.877 1.00 0.00 C ATOM 1242 OG SER A 77 -5.573 -9.667 -17.844 1.00 0.00 O ATOM 0 H SER A 77 -5.789 -8.049 -14.018 1.00 0.00 H new ATOM 0 HA SER A 77 -7.489 -9.490 -15.925 1.00 0.00 H new ATOM 0 HB2 SER A 77 -6.338 -7.830 -17.314 1.00 0.00 H new ATOM 0 HB3 SER A 77 -4.794 -8.233 -16.588 1.00 0.00 H new ATOM 0 HG SER A 77 -6.085 -9.452 -18.651 1.00 0.00 H new ATOM 1248 N THR A 78 -6.251 -11.579 -15.385 1.00 0.00 N ATOM 1249 CA THR A 78 -5.625 -12.828 -14.972 1.00 0.00 C ATOM 1250 C THR A 78 -5.518 -13.799 -16.144 1.00 0.00 C ATOM 1251 O THR A 78 -5.400 -15.011 -15.959 1.00 0.00 O ATOM 1252 CB THR A 78 -6.426 -13.496 -13.837 1.00 0.00 C ATOM 1253 OG1 THR A 78 -7.823 -13.190 -13.970 1.00 0.00 O ATOM 1254 CG2 THR A 78 -5.926 -13.044 -12.476 1.00 0.00 C ATOM 0 H THR A 78 -7.107 -11.702 -15.926 1.00 0.00 H new ATOM 0 HA THR A 78 -4.625 -12.586 -14.613 1.00 0.00 H new ATOM 0 HB THR A 78 -6.285 -14.574 -13.914 1.00 0.00 H new ATOM 0 HG1 THR A 78 -8.323 -13.621 -13.245 1.00 0.00 H new ATOM 0 HG21 THR A 78 -6.509 -13.531 -11.694 1.00 0.00 H new ATOM 0 HG22 THR A 78 -4.876 -13.313 -12.366 1.00 0.00 H new ATOM 0 HG23 THR A 78 -6.034 -11.963 -12.389 1.00 0.00 H new ATOM 1262 N SER A 79 -5.510 -13.258 -17.354 1.00 0.00 N ATOM 1263 CA SER A 79 -5.590 -14.080 -18.556 1.00 0.00 C ATOM 1264 C SER A 79 -4.203 -14.435 -19.097 1.00 0.00 C ATOM 1265 O SER A 79 -4.082 -14.898 -20.233 1.00 0.00 O ATOM 1266 CB SER A 79 -6.405 -13.348 -19.630 1.00 0.00 C ATOM 1267 OG SER A 79 -6.665 -14.189 -20.743 1.00 0.00 O ATOM 0 H SER A 79 -5.449 -12.255 -17.531 1.00 0.00 H new ATOM 0 HA SER A 79 -6.086 -15.014 -18.291 1.00 0.00 H new ATOM 0 HB2 SER A 79 -7.347 -13.005 -19.203 1.00 0.00 H new ATOM 0 HB3 SER A 79 -5.863 -12.462 -19.960 1.00 0.00 H new ATOM 0 HG SER A 79 -5.866 -14.718 -20.947 1.00 0.00 H new ATOM 1273 N LYS A 80 -3.166 -14.220 -18.276 1.00 0.00 N ATOM 1274 CA LYS A 80 -1.771 -14.516 -18.645 1.00 0.00 C ATOM 1275 C LYS A 80 -1.252 -13.514 -19.682 1.00 0.00 C ATOM 1276 O LYS A 80 -0.168 -12.954 -19.527 1.00 0.00 O ATOM 1277 CB LYS A 80 -1.628 -15.971 -19.140 1.00 0.00 C ATOM 1278 CG LYS A 80 -0.197 -16.401 -19.451 1.00 0.00 C ATOM 1279 CD LYS A 80 0.204 -16.062 -20.879 1.00 0.00 C ATOM 1280 CE LYS A 80 1.690 -16.285 -21.110 1.00 0.00 C ATOM 1281 NZ LYS A 80 2.087 -15.964 -22.505 1.00 0.00 N ATOM 0 H LYS A 80 -3.269 -13.836 -17.337 1.00 0.00 H new ATOM 0 HA LYS A 80 -1.155 -14.411 -17.752 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -2.038 -16.640 -18.383 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -2.234 -16.096 -20.037 1.00 0.00 H new ATOM 0 HG2 LYS A 80 0.487 -15.912 -18.757 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -0.099 -17.475 -19.292 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -0.369 -16.676 -21.574 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -0.046 -15.022 -21.091 1.00 0.00 H new ATOM 0 HE2 LYS A 80 2.262 -15.667 -20.418 1.00 0.00 H new ATOM 0 HE3 LYS A 80 1.940 -17.323 -20.891 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 3.096 -16.177 -22.636 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 1.523 -16.535 -23.167 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 1.919 -14.954 -22.690 1.00 0.00 H new ATOM 1295 N GLU A 81 -2.022 -13.302 -20.735 1.00 0.00 N ATOM 1296 CA GLU A 81 -1.718 -12.274 -21.715 1.00 0.00 C ATOM 1297 C GLU A 81 -2.305 -10.943 -21.259 1.00 0.00 C ATOM 1298 O GLU A 81 -3.220 -10.921 -20.431 1.00 0.00 O ATOM 1299 CB GLU A 81 -2.287 -12.658 -23.086 1.00 0.00 C ATOM 1300 CG GLU A 81 -1.580 -13.836 -23.731 1.00 0.00 C ATOM 1301 CD GLU A 81 -0.120 -13.548 -24.011 1.00 0.00 C ATOM 1302 OE1 GLU A 81 0.721 -13.787 -23.122 1.00 0.00 O ATOM 1303 OE2 GLU A 81 0.197 -13.080 -25.126 1.00 0.00 O ATOM 0 H GLU A 81 -2.870 -13.833 -20.934 1.00 0.00 H new ATOM 0 HA GLU A 81 -0.636 -12.179 -21.804 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -3.345 -12.896 -22.977 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -2.221 -11.797 -23.751 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -1.658 -14.705 -23.078 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -2.083 -14.092 -24.664 1.00 0.00 H new ATOM 1310 N PRO A 82 -1.782 -9.818 -21.773 1.00 0.00 N ATOM 1311 CA PRO A 82 -2.310 -8.484 -21.468 1.00 0.00 C ATOM 1312 C PRO A 82 -3.651 -8.233 -22.161 1.00 0.00 C ATOM 1313 O PRO A 82 -3.806 -7.268 -22.911 1.00 0.00 O ATOM 1314 CB PRO A 82 -1.237 -7.527 -22.015 1.00 0.00 C ATOM 1315 CG PRO A 82 -0.070 -8.385 -22.380 1.00 0.00 C ATOM 1316 CD PRO A 82 -0.628 -9.744 -22.676 1.00 0.00 C ATOM 0 HA PRO A 82 -2.500 -8.355 -20.402 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -1.607 -6.981 -22.883 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -0.957 -6.785 -21.267 1.00 0.00 H new ATOM 0 HG2 PRO A 82 0.454 -7.982 -23.247 1.00 0.00 H new ATOM 0 HG3 PRO A 82 0.651 -8.429 -21.564 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -0.923 -9.843 -23.721 1.00 0.00 H new ATOM 0 HD3 PRO A 82 0.097 -10.533 -22.474 1.00 0.00 H new ATOM 1324 N VAL A 83 -4.615 -9.109 -21.905 1.00 0.00 N ATOM 1325 CA VAL A 83 -5.933 -9.014 -22.515 1.00 0.00 C ATOM 1326 C VAL A 83 -7.020 -9.307 -21.490 1.00 0.00 C ATOM 1327 O VAL A 83 -6.719 -9.706 -20.362 1.00 0.00 O ATOM 1328 CB VAL A 83 -6.094 -9.992 -23.701 1.00 0.00 C ATOM 1329 CG1 VAL A 83 -5.156 -9.623 -24.838 1.00 0.00 C ATOM 1330 CG2 VAL A 83 -5.856 -11.429 -23.256 1.00 0.00 C ATOM 0 H VAL A 83 -4.505 -9.901 -21.272 1.00 0.00 H new ATOM 0 HA VAL A 83 -6.033 -7.994 -22.887 1.00 0.00 H new ATOM 0 HB VAL A 83 -7.119 -9.913 -24.064 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -5.288 -10.326 -25.661 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -5.382 -8.614 -25.183 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -4.125 -9.665 -24.487 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -5.975 -12.098 -24.108 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -4.846 -11.524 -22.858 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -6.577 -11.695 -22.483 1.00 0.00 H new ATOM 1340 N ASP A 84 -8.272 -9.106 -21.902 1.00 0.00 N ATOM 1341 CA ASP A 84 -9.443 -9.360 -21.057 1.00 0.00 C ATOM 1342 C ASP A 84 -9.294 -8.769 -19.661 1.00 0.00 C ATOM 1343 O ASP A 84 -9.459 -9.458 -18.656 1.00 0.00 O ATOM 1344 CB ASP A 84 -9.745 -10.858 -20.972 1.00 0.00 C ATOM 1345 CG ASP A 84 -10.765 -11.292 -22.005 1.00 0.00 C ATOM 1346 OD1 ASP A 84 -11.977 -11.099 -21.763 1.00 0.00 O ATOM 1347 OD2 ASP A 84 -10.365 -11.811 -23.070 1.00 0.00 O ATOM 0 H ASP A 84 -8.505 -8.762 -22.833 1.00 0.00 H new ATOM 0 HA ASP A 84 -10.285 -8.857 -21.533 1.00 0.00 H new ATOM 0 HB2 ASP A 84 -8.823 -11.422 -21.114 1.00 0.00 H new ATOM 0 HB3 ASP A 84 -10.115 -11.097 -19.975 1.00 0.00 H new ATOM 1352 N PHE A 85 -8.972 -7.487 -19.608 1.00 0.00 N ATOM 1353 CA PHE A 85 -8.921 -6.768 -18.348 1.00 0.00 C ATOM 1354 C PHE A 85 -10.257 -6.085 -18.083 1.00 0.00 C ATOM 1355 O PHE A 85 -10.787 -5.377 -18.942 1.00 0.00 O ATOM 1356 CB PHE A 85 -7.769 -5.750 -18.327 1.00 0.00 C ATOM 1357 CG PHE A 85 -7.269 -5.335 -19.686 1.00 0.00 C ATOM 1358 CD1 PHE A 85 -8.090 -4.662 -20.577 1.00 0.00 C ATOM 1359 CD2 PHE A 85 -5.964 -5.606 -20.062 1.00 0.00 C ATOM 1360 CE1 PHE A 85 -7.621 -4.274 -21.816 1.00 0.00 C ATOM 1361 CE2 PHE A 85 -5.489 -5.221 -21.300 1.00 0.00 C ATOM 1362 CZ PHE A 85 -6.319 -4.554 -22.179 1.00 0.00 C ATOM 0 H PHE A 85 -8.742 -6.923 -20.426 1.00 0.00 H new ATOM 0 HA PHE A 85 -8.731 -7.488 -17.552 1.00 0.00 H new ATOM 0 HB2 PHE A 85 -8.098 -4.861 -17.789 1.00 0.00 H new ATOM 0 HB3 PHE A 85 -6.938 -6.174 -17.763 1.00 0.00 H new ATOM 0 HD1 PHE A 85 -9.109 -4.438 -20.299 1.00 0.00 H new ATOM 0 HD2 PHE A 85 -5.309 -6.125 -19.378 1.00 0.00 H new ATOM 0 HE1 PHE A 85 -8.272 -3.752 -22.501 1.00 0.00 H new ATOM 0 HE2 PHE A 85 -4.470 -5.441 -21.580 1.00 0.00 H new ATOM 0 HZ PHE A 85 -5.950 -4.252 -23.148 1.00 0.00 H new ATOM 1372 N GLU A 86 -10.798 -6.316 -16.897 1.00 0.00 N ATOM 1373 CA GLU A 86 -12.112 -5.802 -16.536 1.00 0.00 C ATOM 1374 C GLU A 86 -12.015 -4.950 -15.272 1.00 0.00 C ATOM 1375 O GLU A 86 -11.072 -5.092 -14.492 1.00 0.00 O ATOM 1376 CB GLU A 86 -13.088 -6.973 -16.338 1.00 0.00 C ATOM 1377 CG GLU A 86 -14.529 -6.559 -16.061 1.00 0.00 C ATOM 1378 CD GLU A 86 -15.094 -5.635 -17.120 1.00 0.00 C ATOM 1379 OE1 GLU A 86 -15.365 -6.105 -18.243 1.00 0.00 O ATOM 1380 OE2 GLU A 86 -15.270 -4.430 -16.831 1.00 0.00 O ATOM 0 H GLU A 86 -10.344 -6.860 -16.163 1.00 0.00 H new ATOM 0 HA GLU A 86 -12.488 -5.170 -17.340 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -13.069 -7.599 -17.230 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -12.735 -7.587 -15.510 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -15.151 -7.451 -15.996 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -14.579 -6.064 -15.091 1.00 0.00 H new ATOM 1387 N GLN A 87 -12.989 -4.074 -15.085 1.00 0.00 N ATOM 1388 CA GLN A 87 -13.005 -3.141 -13.966 1.00 0.00 C ATOM 1389 C GLN A 87 -13.006 -3.883 -12.631 1.00 0.00 C ATOM 1390 O GLN A 87 -13.859 -4.735 -12.384 1.00 0.00 O ATOM 1391 CB GLN A 87 -14.250 -2.262 -14.063 1.00 0.00 C ATOM 1392 CG GLN A 87 -14.198 -1.015 -13.203 1.00 0.00 C ATOM 1393 CD GLN A 87 -15.541 -0.322 -13.128 1.00 0.00 C ATOM 1394 OE1 GLN A 87 -16.327 -0.563 -12.212 1.00 0.00 O ATOM 1395 NE2 GLN A 87 -15.834 0.511 -14.108 1.00 0.00 N ATOM 0 H GLN A 87 -13.794 -3.988 -15.706 1.00 0.00 H new ATOM 0 HA GLN A 87 -12.106 -2.526 -14.014 1.00 0.00 H new ATOM 0 HB2 GLN A 87 -14.393 -1.967 -15.103 1.00 0.00 H new ATOM 0 HB3 GLN A 87 -15.121 -2.852 -13.776 1.00 0.00 H new ATOM 0 HG2 GLN A 87 -13.871 -1.281 -12.198 1.00 0.00 H new ATOM 0 HG3 GLN A 87 -13.457 -0.326 -13.608 1.00 0.00 H new ATOM 0 HE21 GLN A 87 -15.156 0.685 -14.850 1.00 0.00 H new ATOM 0 HE22 GLN A 87 -16.739 0.981 -14.124 1.00 0.00 H new ATOM 1404 N TRP A 88 -12.045 -3.561 -11.776 1.00 0.00 N ATOM 1405 CA TRP A 88 -11.984 -4.149 -10.450 1.00 0.00 C ATOM 1406 C TRP A 88 -12.540 -3.167 -9.422 1.00 0.00 C ATOM 1407 O TRP A 88 -13.661 -3.327 -8.935 1.00 0.00 O ATOM 1408 CB TRP A 88 -10.540 -4.527 -10.100 1.00 0.00 C ATOM 1409 CG TRP A 88 -10.411 -5.382 -8.873 1.00 0.00 C ATOM 1410 CD1 TRP A 88 -11.406 -6.076 -8.246 1.00 0.00 C ATOM 1411 CD2 TRP A 88 -9.211 -5.649 -8.138 1.00 0.00 C ATOM 1412 NE1 TRP A 88 -10.900 -6.752 -7.164 1.00 0.00 N ATOM 1413 CE2 TRP A 88 -9.555 -6.507 -7.076 1.00 0.00 C ATOM 1414 CE3 TRP A 88 -7.878 -5.247 -8.270 1.00 0.00 C ATOM 1415 CZ2 TRP A 88 -8.618 -6.969 -6.157 1.00 0.00 C ATOM 1416 CZ3 TRP A 88 -6.950 -5.706 -7.358 1.00 0.00 C ATOM 1417 CH2 TRP A 88 -7.323 -6.558 -6.313 1.00 0.00 C ATOM 0 H TRP A 88 -11.299 -2.896 -11.979 1.00 0.00 H new ATOM 0 HA TRP A 88 -12.589 -5.055 -10.437 1.00 0.00 H new ATOM 0 HB2 TRP A 88 -10.099 -5.055 -10.946 1.00 0.00 H new ATOM 0 HB3 TRP A 88 -9.961 -3.614 -9.956 1.00 0.00 H new ATOM 0 HD1 TRP A 88 -12.440 -6.091 -8.556 1.00 0.00 H new ATOM 0 HE1 TRP A 88 -11.438 -7.341 -6.529 1.00 0.00 H new ATOM 0 HE3 TRP A 88 -7.580 -4.588 -9.072 1.00 0.00 H new ATOM 0 HZ2 TRP A 88 -8.903 -7.628 -5.350 1.00 0.00 H new ATOM 0 HZ3 TRP A 88 -5.918 -5.402 -7.452 1.00 0.00 H new ATOM 0 HH2 TRP A 88 -6.573 -6.898 -5.615 1.00 0.00 H new ATOM 1428 N ILE A 89 -11.764 -2.135 -9.118 1.00 0.00 N ATOM 1429 CA ILE A 89 -12.159 -1.138 -8.134 1.00 0.00 C ATOM 1430 C ILE A 89 -11.734 0.261 -8.562 1.00 0.00 C ATOM 1431 O ILE A 89 -10.556 0.599 -8.533 1.00 0.00 O ATOM 1432 CB ILE A 89 -11.581 -1.443 -6.730 1.00 0.00 C ATOM 1433 CG1 ILE A 89 -10.132 -1.937 -6.836 1.00 0.00 C ATOM 1434 CG2 ILE A 89 -12.448 -2.459 -6.000 1.00 0.00 C ATOM 1435 CD1 ILE A 89 -9.479 -2.199 -5.496 1.00 0.00 C ATOM 0 H ILE A 89 -10.852 -1.967 -9.542 1.00 0.00 H new ATOM 0 HA ILE A 89 -13.247 -1.181 -8.075 1.00 0.00 H new ATOM 0 HB ILE A 89 -11.583 -0.519 -6.152 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -10.112 -2.854 -7.425 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -9.544 -1.197 -7.378 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -12.024 -2.659 -5.016 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -13.457 -2.062 -5.887 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -12.485 -3.385 -6.574 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -8.457 -2.545 -5.651 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -9.466 -1.279 -4.912 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -10.043 -2.962 -4.959 1.00 0.00 H new ATOM 1447 N GLU A 90 -12.689 1.063 -8.999 1.00 0.00 N ATOM 1448 CA GLU A 90 -12.409 2.456 -9.293 1.00 0.00 C ATOM 1449 C GLU A 90 -12.779 3.326 -8.100 1.00 0.00 C ATOM 1450 O GLU A 90 -13.837 3.152 -7.488 1.00 0.00 O ATOM 1451 CB GLU A 90 -13.128 2.927 -10.560 1.00 0.00 C ATOM 1452 CG GLU A 90 -14.620 2.660 -10.587 1.00 0.00 C ATOM 1453 CD GLU A 90 -15.288 3.305 -11.782 1.00 0.00 C ATOM 1454 OE1 GLU A 90 -14.834 3.072 -12.922 1.00 0.00 O ATOM 1455 OE2 GLU A 90 -16.256 4.069 -11.586 1.00 0.00 O ATOM 0 H GLU A 90 -13.655 0.777 -9.157 1.00 0.00 H new ATOM 0 HA GLU A 90 -11.340 2.552 -9.481 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -12.964 3.998 -10.676 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -12.671 2.440 -11.421 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -14.796 1.585 -10.610 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -15.073 3.038 -9.670 1.00 0.00 H new ATOM 1462 N LYS A 91 -11.890 4.248 -7.763 1.00 0.00 N ATOM 1463 CA LYS A 91 -12.056 5.078 -6.582 1.00 0.00 C ATOM 1464 C LYS A 91 -11.909 6.551 -6.936 1.00 0.00 C ATOM 1465 O LYS A 91 -11.081 6.918 -7.774 1.00 0.00 O ATOM 1466 CB LYS A 91 -11.010 4.703 -5.522 1.00 0.00 C ATOM 1467 CG LYS A 91 -11.075 3.250 -5.078 1.00 0.00 C ATOM 1468 CD LYS A 91 -12.357 2.950 -4.317 1.00 0.00 C ATOM 1469 CE LYS A 91 -12.205 3.175 -2.817 1.00 0.00 C ATOM 1470 NZ LYS A 91 -11.757 4.555 -2.474 1.00 0.00 N ATOM 0 H LYS A 91 -11.041 4.440 -8.295 1.00 0.00 H new ATOM 0 HA LYS A 91 -13.056 4.907 -6.184 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -10.016 4.907 -5.919 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -11.143 5.345 -4.651 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -11.009 2.600 -5.950 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -10.216 3.024 -4.447 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -13.159 3.582 -4.698 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -12.652 1.917 -4.499 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -13.159 2.977 -2.328 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -11.488 2.457 -2.419 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -11.945 4.741 -1.468 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -10.737 4.645 -2.658 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -12.276 5.243 -3.056 1.00 0.00 H new ATOM 1484 N ASP A 92 -12.727 7.386 -6.313 1.00 0.00 N ATOM 1485 CA ASP A 92 -12.561 8.827 -6.414 1.00 0.00 C ATOM 1486 C ASP A 92 -11.744 9.301 -5.221 1.00 0.00 C ATOM 1487 O ASP A 92 -12.045 8.963 -4.074 1.00 0.00 O ATOM 1488 CB ASP A 92 -13.912 9.560 -6.492 1.00 0.00 C ATOM 1489 CG ASP A 92 -14.703 9.530 -5.197 1.00 0.00 C ATOM 1490 OD1 ASP A 92 -15.325 8.488 -4.899 1.00 0.00 O ATOM 1491 OD2 ASP A 92 -14.729 10.556 -4.484 1.00 0.00 O ATOM 0 H ASP A 92 -13.512 7.090 -5.733 1.00 0.00 H new ATOM 0 HA ASP A 92 -12.036 9.061 -7.340 1.00 0.00 H new ATOM 0 HB2 ASP A 92 -13.735 10.598 -6.775 1.00 0.00 H new ATOM 0 HB3 ASP A 92 -14.512 9.112 -7.284 1.00 0.00 H new ATOM 1496 N LEU A 93 -10.690 10.042 -5.499 1.00 0.00 N ATOM 1497 CA LEU A 93 -9.735 10.416 -4.472 1.00 0.00 C ATOM 1498 C LEU A 93 -9.950 11.861 -4.035 1.00 0.00 C ATOM 1499 O LEU A 93 -10.601 12.638 -4.735 1.00 0.00 O ATOM 1500 CB LEU A 93 -8.314 10.220 -5.005 1.00 0.00 C ATOM 1501 CG LEU A 93 -7.229 10.059 -3.939 1.00 0.00 C ATOM 1502 CD1 LEU A 93 -7.507 8.834 -3.077 1.00 0.00 C ATOM 1503 CD2 LEU A 93 -5.860 9.952 -4.591 1.00 0.00 C ATOM 0 H LEU A 93 -10.472 10.398 -6.429 1.00 0.00 H new ATOM 0 HA LEU A 93 -9.882 9.779 -3.600 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -8.303 9.338 -5.646 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -8.059 11.074 -5.633 1.00 0.00 H new ATOM 0 HG LEU A 93 -7.239 10.940 -3.297 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -6.726 8.734 -2.324 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -8.473 8.947 -2.585 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -7.522 7.943 -3.705 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -5.098 9.838 -3.820 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -5.839 9.086 -5.253 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -5.660 10.855 -5.168 1.00 0.00 H new ATOM 1515 N VAL A 94 -9.407 12.212 -2.877 1.00 0.00 N ATOM 1516 CA VAL A 94 -9.548 13.557 -2.340 1.00 0.00 C ATOM 1517 C VAL A 94 -8.314 14.388 -2.679 1.00 0.00 C ATOM 1518 O VAL A 94 -7.189 13.892 -2.632 1.00 0.00 O ATOM 1519 CB VAL A 94 -9.753 13.529 -0.807 1.00 0.00 C ATOM 1520 CG1 VAL A 94 -9.984 14.931 -0.259 1.00 0.00 C ATOM 1521 CG2 VAL A 94 -10.912 12.612 -0.439 1.00 0.00 C ATOM 0 H VAL A 94 -8.863 11.580 -2.290 1.00 0.00 H new ATOM 0 HA VAL A 94 -10.429 14.010 -2.795 1.00 0.00 H new ATOM 0 HB VAL A 94 -8.843 13.136 -0.353 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -10.125 14.881 0.821 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -9.120 15.556 -0.484 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -10.873 15.361 -0.721 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -11.041 12.605 0.643 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -11.826 12.973 -0.911 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -10.700 11.601 -0.786 1.00 0.00 H new ATOM 1531 N HIS A 95 -8.528 15.646 -3.038 1.00 0.00 N ATOM 1532 CA HIS A 95 -7.431 16.528 -3.410 1.00 0.00 C ATOM 1533 C HIS A 95 -6.632 16.933 -2.179 1.00 0.00 C ATOM 1534 O HIS A 95 -7.084 17.746 -1.374 1.00 0.00 O ATOM 1535 CB HIS A 95 -7.960 17.777 -4.115 1.00 0.00 C ATOM 1536 CG HIS A 95 -6.892 18.583 -4.797 1.00 0.00 C ATOM 1537 ND1 HIS A 95 -7.128 19.808 -5.369 1.00 0.00 N ATOM 1538 CD2 HIS A 95 -5.584 18.311 -5.023 1.00 0.00 C ATOM 1539 CE1 HIS A 95 -6.019 20.258 -5.923 1.00 0.00 C ATOM 1540 NE2 HIS A 95 -5.061 19.369 -5.734 1.00 0.00 N ATOM 0 H HIS A 95 -9.451 16.079 -3.080 1.00 0.00 H new ATOM 0 HA HIS A 95 -6.778 15.986 -4.095 1.00 0.00 H new ATOM 0 HB2 HIS A 95 -8.705 17.479 -4.853 1.00 0.00 H new ATOM 0 HB3 HIS A 95 -8.468 18.407 -3.385 1.00 0.00 H new ATOM 0 HD2 HIS A 95 -5.050 17.428 -4.705 1.00 0.00 H new ATOM 0 HE1 HIS A 95 -5.912 21.198 -6.445 1.00 0.00 H new ATOM 0 HE2 HIS A 95 -4.098 19.452 -6.059 1.00 0.00 H new ATOM 1548 N THR A 96 -5.452 16.357 -2.037 1.00 0.00 N ATOM 1549 CA THR A 96 -4.578 16.674 -0.929 1.00 0.00 C ATOM 1550 C THR A 96 -3.542 17.718 -1.323 1.00 0.00 C ATOM 1551 O THR A 96 -3.028 17.716 -2.444 1.00 0.00 O ATOM 1552 CB THR A 96 -3.869 15.409 -0.421 1.00 0.00 C ATOM 1553 OG1 THR A 96 -3.255 14.713 -1.516 1.00 0.00 O ATOM 1554 CG2 THR A 96 -4.859 14.496 0.277 1.00 0.00 C ATOM 0 H THR A 96 -5.077 15.662 -2.683 1.00 0.00 H new ATOM 0 HA THR A 96 -5.196 17.084 -0.131 1.00 0.00 H new ATOM 0 HB THR A 96 -3.098 15.705 0.290 1.00 0.00 H new ATOM 0 HG1 THR A 96 -2.406 14.323 -1.221 1.00 0.00 H new ATOM 0 HG21 THR A 96 -4.343 13.604 0.632 1.00 0.00 H new ATOM 0 HG22 THR A 96 -5.302 15.020 1.124 1.00 0.00 H new ATOM 0 HG23 THR A 96 -5.644 14.208 -0.422 1.00 0.00 H new ATOM 1562 N GLU A 97 -3.265 18.628 -0.408 1.00 0.00 N ATOM 1563 CA GLU A 97 -2.265 19.656 -0.626 1.00 0.00 C ATOM 1564 C GLU A 97 -0.995 19.311 0.147 1.00 0.00 C ATOM 1565 O GLU A 97 -0.946 19.444 1.372 1.00 0.00 O ATOM 1566 CB GLU A 97 -2.824 21.023 -0.209 1.00 0.00 C ATOM 1567 CG GLU A 97 -1.988 22.214 -0.658 1.00 0.00 C ATOM 1568 CD GLU A 97 -0.712 22.381 0.138 1.00 0.00 C ATOM 1569 OE1 GLU A 97 -0.799 22.714 1.335 1.00 0.00 O ATOM 1570 OE2 GLU A 97 0.383 22.176 -0.428 1.00 0.00 O ATOM 0 H GLU A 97 -3.724 18.676 0.502 1.00 0.00 H new ATOM 0 HA GLU A 97 -2.012 19.706 -1.685 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -3.830 21.128 -0.615 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -2.914 21.048 0.877 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -1.738 22.097 -1.713 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -2.585 23.122 -0.570 1.00 0.00 H new ATOM 1577 N GLY A 98 0.016 18.830 -0.569 1.00 0.00 N ATOM 1578 CA GLY A 98 1.284 18.491 0.054 1.00 0.00 C ATOM 1579 C GLY A 98 1.200 17.236 0.904 1.00 0.00 C ATOM 1580 O GLY A 98 2.107 16.942 1.681 1.00 0.00 O ATOM 0 H GLY A 98 -0.020 18.668 -1.575 1.00 0.00 H new ATOM 0 HA2 GLY A 98 2.039 18.351 -0.720 1.00 0.00 H new ATOM 0 HA3 GLY A 98 1.614 19.324 0.675 1.00 0.00 H new ATOM 1584 N GLN A 99 0.116 16.491 0.745 1.00 0.00 N ATOM 1585 CA GLN A 99 -0.111 15.294 1.540 1.00 0.00 C ATOM 1586 C GLN A 99 -0.259 14.070 0.653 1.00 0.00 C ATOM 1587 O GLN A 99 -0.805 14.149 -0.448 1.00 0.00 O ATOM 1588 CB GLN A 99 -1.364 15.451 2.409 1.00 0.00 C ATOM 1589 CG GLN A 99 -1.178 16.373 3.601 1.00 0.00 C ATOM 1590 CD GLN A 99 -0.105 15.875 4.549 1.00 0.00 C ATOM 1591 OE1 GLN A 99 1.059 16.247 4.439 1.00 0.00 O ATOM 1592 NE2 GLN A 99 -0.488 15.014 5.479 1.00 0.00 N ATOM 0 H GLN A 99 -0.622 16.695 0.071 1.00 0.00 H new ATOM 0 HA GLN A 99 0.757 15.157 2.185 1.00 0.00 H new ATOM 0 HB2 GLN A 99 -2.177 15.833 1.791 1.00 0.00 H new ATOM 0 HB3 GLN A 99 -1.671 14.468 2.767 1.00 0.00 H new ATOM 0 HG2 GLN A 99 -0.915 17.370 3.249 1.00 0.00 H new ATOM 0 HG3 GLN A 99 -2.122 16.464 4.139 1.00 0.00 H new ATOM 0 HE21 GLN A 99 -1.466 14.729 5.538 1.00 0.00 H new ATOM 0 HE22 GLN A 99 0.194 14.636 6.136 1.00 0.00 H new ATOM 1601 N LEU A 100 0.236 12.946 1.140 1.00 0.00 N ATOM 1602 CA LEU A 100 0.081 11.679 0.452 1.00 0.00 C ATOM 1603 C LEU A 100 -1.297 11.093 0.708 1.00 0.00 C ATOM 1604 O LEU A 100 -1.730 10.977 1.858 1.00 0.00 O ATOM 1605 CB LEU A 100 1.150 10.684 0.910 1.00 0.00 C ATOM 1606 CG LEU A 100 2.365 10.565 -0.006 1.00 0.00 C ATOM 1607 CD1 LEU A 100 3.403 9.644 0.614 1.00 0.00 C ATOM 1608 CD2 LEU A 100 1.942 10.047 -1.372 1.00 0.00 C ATOM 0 H LEU A 100 0.753 12.887 2.017 1.00 0.00 H new ATOM 0 HA LEU A 100 0.196 11.863 -0.616 1.00 0.00 H new ATOM 0 HB2 LEU A 100 1.492 10.975 1.903 1.00 0.00 H new ATOM 0 HB3 LEU A 100 0.690 9.700 1.006 1.00 0.00 H new ATOM 0 HG LEU A 100 2.810 11.552 -0.131 1.00 0.00 H new ATOM 0 HD11 LEU A 100 4.264 9.568 -0.049 1.00 0.00 H new ATOM 0 HD12 LEU A 100 3.720 10.048 1.575 1.00 0.00 H new ATOM 0 HD13 LEU A 100 2.970 8.655 0.761 1.00 0.00 H new ATOM 0 HD21 LEU A 100 2.817 9.966 -2.017 1.00 0.00 H new ATOM 0 HD22 LEU A 100 1.480 9.066 -1.262 1.00 0.00 H new ATOM 0 HD23 LEU A 100 1.225 10.737 -1.817 1.00 0.00 H new ATOM 1620 N GLN A 101 -1.990 10.751 -0.363 1.00 0.00 N ATOM 1621 CA GLN A 101 -3.228 10.009 -0.250 1.00 0.00 C ATOM 1622 C GLN A 101 -2.921 8.528 -0.175 1.00 0.00 C ATOM 1623 O GLN A 101 -2.736 7.873 -1.200 1.00 0.00 O ATOM 1624 CB GLN A 101 -4.159 10.291 -1.431 1.00 0.00 C ATOM 1625 CG GLN A 101 -5.184 11.386 -1.175 1.00 0.00 C ATOM 1626 CD GLN A 101 -6.341 10.942 -0.284 1.00 0.00 C ATOM 1627 OE1 GLN A 101 -7.466 11.412 -0.438 1.00 0.00 O ATOM 1628 NE2 GLN A 101 -6.080 10.048 0.661 1.00 0.00 N ATOM 0 H GLN A 101 -1.715 10.976 -1.319 1.00 0.00 H new ATOM 0 HA GLN A 101 -3.738 10.328 0.659 1.00 0.00 H new ATOM 0 HB2 GLN A 101 -3.556 10.569 -2.295 1.00 0.00 H new ATOM 0 HB3 GLN A 101 -4.684 9.372 -1.692 1.00 0.00 H new ATOM 0 HG2 GLN A 101 -4.686 12.238 -0.712 1.00 0.00 H new ATOM 0 HG3 GLN A 101 -5.582 11.730 -2.130 1.00 0.00 H new ATOM 0 HE21 GLN A 101 -5.136 9.676 0.764 1.00 0.00 H new ATOM 0 HE22 GLN A 101 -6.823 9.733 1.284 1.00 0.00 H new ATOM 1637 N ASN A 102 -2.824 8.021 1.044 1.00 0.00 N ATOM 1638 CA ASN A 102 -2.562 6.611 1.264 1.00 0.00 C ATOM 1639 C ASN A 102 -3.846 5.910 1.637 1.00 0.00 C ATOM 1640 O ASN A 102 -4.342 6.063 2.755 1.00 0.00 O ATOM 1641 CB ASN A 102 -1.534 6.386 2.378 1.00 0.00 C ATOM 1642 CG ASN A 102 -0.158 6.930 2.055 1.00 0.00 C ATOM 1643 OD1 ASN A 102 0.160 7.221 0.904 1.00 0.00 O ATOM 1644 ND2 ASN A 102 0.680 7.041 3.071 1.00 0.00 N ATOM 0 H ASN A 102 -2.924 8.569 1.898 1.00 0.00 H new ATOM 0 HA ASN A 102 -2.156 6.205 0.338 1.00 0.00 H new ATOM 0 HB2 ASN A 102 -1.895 6.855 3.293 1.00 0.00 H new ATOM 0 HB3 ASN A 102 -1.455 5.317 2.577 1.00 0.00 H new ATOM 0 HD21 ASN A 102 1.630 7.379 2.914 1.00 0.00 H new ATOM 0 HD22 ASN A 102 0.377 6.789 4.012 1.00 0.00 H new ATOM 1651 N GLU A 103 -4.405 5.166 0.706 1.00 0.00 N ATOM 1652 CA GLU A 103 -5.604 4.410 0.994 1.00 0.00 C ATOM 1653 C GLU A 103 -5.261 2.939 1.170 1.00 0.00 C ATOM 1654 O GLU A 103 -4.821 2.275 0.228 1.00 0.00 O ATOM 1655 CB GLU A 103 -6.656 4.580 -0.106 1.00 0.00 C ATOM 1656 CG GLU A 103 -8.065 4.274 0.383 1.00 0.00 C ATOM 1657 CD GLU A 103 -9.099 4.220 -0.722 1.00 0.00 C ATOM 1658 OE1 GLU A 103 -9.171 5.157 -1.541 1.00 0.00 O ATOM 1659 OE2 GLU A 103 -9.882 3.247 -0.748 1.00 0.00 O ATOM 0 H GLU A 103 -4.053 5.069 -0.246 1.00 0.00 H new ATOM 0 HA GLU A 103 -6.029 4.796 1.921 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -6.620 5.602 -0.484 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -6.414 3.922 -0.941 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -8.058 3.319 0.908 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -8.361 5.033 1.107 1.00 0.00 H new ATOM 1666 N GLU A 104 -5.417 2.453 2.392 1.00 0.00 N ATOM 1667 CA GLU A 104 -5.262 1.038 2.675 1.00 0.00 C ATOM 1668 C GLU A 104 -6.504 0.298 2.196 1.00 0.00 C ATOM 1669 O GLU A 104 -7.453 0.092 2.954 1.00 0.00 O ATOM 1670 CB GLU A 104 -5.036 0.798 4.174 1.00 0.00 C ATOM 1671 CG GLU A 104 -3.775 1.453 4.717 1.00 0.00 C ATOM 1672 CD GLU A 104 -3.523 1.122 6.178 1.00 0.00 C ATOM 1673 OE1 GLU A 104 -2.902 0.073 6.459 1.00 0.00 O ATOM 1674 OE2 GLU A 104 -3.937 1.906 7.056 1.00 0.00 O ATOM 0 H GLU A 104 -5.652 3.022 3.205 1.00 0.00 H new ATOM 0 HA GLU A 104 -4.386 0.662 2.147 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -5.897 1.175 4.727 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -4.984 -0.275 4.357 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -2.919 1.131 4.123 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -3.854 2.534 4.602 1.00 0.00 H new ATOM 1681 N ILE A 105 -6.501 -0.058 0.924 1.00 0.00 N ATOM 1682 CA ILE A 105 -7.648 -0.692 0.298 1.00 0.00 C ATOM 1683 C ILE A 105 -7.691 -2.174 0.635 1.00 0.00 C ATOM 1684 O ILE A 105 -6.716 -2.895 0.428 1.00 0.00 O ATOM 1685 CB ILE A 105 -7.605 -0.517 -1.238 1.00 0.00 C ATOM 1686 CG1 ILE A 105 -7.645 0.968 -1.607 1.00 0.00 C ATOM 1687 CG2 ILE A 105 -8.753 -1.262 -1.906 1.00 0.00 C ATOM 1688 CD1 ILE A 105 -7.617 1.227 -3.099 1.00 0.00 C ATOM 0 H ILE A 105 -5.708 0.083 0.298 1.00 0.00 H new ATOM 0 HA ILE A 105 -8.545 -0.209 0.685 1.00 0.00 H new ATOM 0 HB ILE A 105 -6.670 -0.943 -1.601 1.00 0.00 H new ATOM 0 HG12 ILE A 105 -8.547 1.413 -1.187 1.00 0.00 H new ATOM 0 HG13 ILE A 105 -6.796 1.471 -1.144 1.00 0.00 H new ATOM 0 HG21 ILE A 105 -8.698 -1.122 -2.986 1.00 0.00 H new ATOM 0 HG22 ILE A 105 -8.681 -2.325 -1.674 1.00 0.00 H new ATOM 0 HG23 ILE A 105 -9.702 -0.874 -1.537 1.00 0.00 H new ATOM 0 HD11 ILE A 105 -7.648 2.301 -3.282 1.00 0.00 H new ATOM 0 HD12 ILE A 105 -6.702 0.813 -3.523 1.00 0.00 H new ATOM 0 HD13 ILE A 105 -8.481 0.754 -3.567 1.00 0.00 H new ATOM 1700 N VAL A 106 -8.808 -2.626 1.171 1.00 0.00 N ATOM 1701 CA VAL A 106 -8.991 -4.040 1.436 1.00 0.00 C ATOM 1702 C VAL A 106 -9.615 -4.701 0.216 1.00 0.00 C ATOM 1703 O VAL A 106 -10.837 -4.799 0.101 1.00 0.00 O ATOM 1704 CB VAL A 106 -9.872 -4.288 2.677 1.00 0.00 C ATOM 1705 CG1 VAL A 106 -9.943 -5.774 3.004 1.00 0.00 C ATOM 1706 CG2 VAL A 106 -9.348 -3.500 3.865 1.00 0.00 C ATOM 0 H VAL A 106 -9.600 -2.038 1.431 1.00 0.00 H new ATOM 0 HA VAL A 106 -8.013 -4.474 1.642 1.00 0.00 H new ATOM 0 HB VAL A 106 -10.882 -3.944 2.454 1.00 0.00 H new ATOM 0 HG11 VAL A 106 -10.570 -5.924 3.883 1.00 0.00 H new ATOM 0 HG12 VAL A 106 -10.370 -6.313 2.158 1.00 0.00 H new ATOM 0 HG13 VAL A 106 -8.940 -6.151 3.205 1.00 0.00 H new ATOM 0 HG21 VAL A 106 -9.981 -3.686 4.733 1.00 0.00 H new ATOM 0 HG22 VAL A 106 -8.327 -3.812 4.087 1.00 0.00 H new ATOM 0 HG23 VAL A 106 -9.359 -2.436 3.629 1.00 0.00 H new ATOM 1716 N ALA A 107 -8.769 -5.116 -0.710 1.00 0.00 N ATOM 1717 CA ALA A 107 -9.233 -5.700 -1.954 1.00 0.00 C ATOM 1718 C ALA A 107 -8.910 -7.180 -1.993 1.00 0.00 C ATOM 1719 O ALA A 107 -7.746 -7.566 -1.951 1.00 0.00 O ATOM 1720 CB ALA A 107 -8.607 -4.985 -3.138 1.00 0.00 C ATOM 0 H ALA A 107 -7.754 -5.059 -0.623 1.00 0.00 H new ATOM 0 HA ALA A 107 -10.315 -5.582 -2.014 1.00 0.00 H new ATOM 0 HB1 ALA A 107 -8.964 -5.434 -4.065 1.00 0.00 H new ATOM 0 HB2 ALA A 107 -8.884 -3.931 -3.115 1.00 0.00 H new ATOM 0 HB3 ALA A 107 -7.522 -5.076 -3.086 1.00 0.00 H new ATOM 1726 N HIS A 108 -9.942 -8.002 -2.069 1.00 0.00 N ATOM 1727 CA HIS A 108 -9.760 -9.443 -2.066 1.00 0.00 C ATOM 1728 C HIS A 108 -9.822 -9.977 -3.493 1.00 0.00 C ATOM 1729 O HIS A 108 -10.897 -10.065 -4.093 1.00 0.00 O ATOM 1730 CB HIS A 108 -10.847 -10.096 -1.201 1.00 0.00 C ATOM 1731 CG HIS A 108 -10.603 -11.538 -0.882 1.00 0.00 C ATOM 1732 ND1 HIS A 108 -11.162 -12.574 -1.598 1.00 0.00 N ATOM 1733 CD2 HIS A 108 -9.882 -12.111 0.109 1.00 0.00 C ATOM 1734 CE1 HIS A 108 -10.800 -13.723 -1.060 1.00 0.00 C ATOM 1735 NE2 HIS A 108 -10.020 -13.474 -0.022 1.00 0.00 N ATOM 0 H HIS A 108 -10.913 -7.697 -2.133 1.00 0.00 H new ATOM 0 HA HIS A 108 -8.783 -9.685 -1.648 1.00 0.00 H new ATOM 0 HB2 HIS A 108 -10.933 -9.540 -0.267 1.00 0.00 H new ATOM 0 HB3 HIS A 108 -11.804 -10.007 -1.715 1.00 0.00 H new ATOM 0 HD2 HIS A 108 -9.306 -11.595 0.863 1.00 0.00 H new ATOM 0 HE1 HIS A 108 -11.092 -14.703 -1.409 1.00 0.00 H new ATOM 0 HE2 HIS A 108 -9.592 -14.176 0.582 1.00 0.00 H new ATOM 1743 N GLY A 109 -8.668 -10.318 -4.041 1.00 0.00 N ATOM 1744 CA GLY A 109 -8.619 -10.841 -5.389 1.00 0.00 C ATOM 1745 C GLY A 109 -7.282 -11.456 -5.732 1.00 0.00 C ATOM 1746 O GLY A 109 -6.424 -11.648 -4.870 1.00 0.00 O ATOM 0 H GLY A 109 -7.763 -10.242 -3.576 1.00 0.00 H new ATOM 0 HA2 GLY A 109 -9.400 -11.591 -5.511 1.00 0.00 H new ATOM 0 HA3 GLY A 109 -8.835 -10.038 -6.093 1.00 0.00 H new ATOM 1750 N SER A 110 -7.131 -11.801 -6.995 1.00 0.00 N ATOM 1751 CA SER A 110 -5.866 -12.255 -7.537 1.00 0.00 C ATOM 1752 C SER A 110 -5.737 -11.716 -8.953 1.00 0.00 C ATOM 1753 O SER A 110 -6.714 -11.715 -9.704 1.00 0.00 O ATOM 1754 CB SER A 110 -5.793 -13.784 -7.530 1.00 0.00 C ATOM 1755 OG SER A 110 -6.019 -14.292 -6.223 1.00 0.00 O ATOM 0 H SER A 110 -7.888 -11.774 -7.679 1.00 0.00 H new ATOM 0 HA SER A 110 -5.044 -11.887 -6.923 1.00 0.00 H new ATOM 0 HB2 SER A 110 -6.535 -14.191 -8.217 1.00 0.00 H new ATOM 0 HB3 SER A 110 -4.816 -14.108 -7.887 1.00 0.00 H new ATOM 0 HG SER A 110 -5.970 -15.271 -6.239 1.00 0.00 H new ATOM 1761 N ALA A 111 -4.565 -11.221 -9.306 1.00 0.00 N ATOM 1762 CA ALA A 111 -4.372 -10.633 -10.619 1.00 0.00 C ATOM 1763 C ALA A 111 -2.947 -10.829 -11.098 1.00 0.00 C ATOM 1764 O ALA A 111 -2.015 -10.882 -10.299 1.00 0.00 O ATOM 1765 CB ALA A 111 -4.722 -9.153 -10.598 1.00 0.00 C ATOM 0 H ALA A 111 -3.739 -11.214 -8.708 1.00 0.00 H new ATOM 0 HA ALA A 111 -5.039 -11.140 -11.316 1.00 0.00 H new ATOM 0 HB1 ALA A 111 -4.571 -8.729 -11.591 1.00 0.00 H new ATOM 0 HB2 ALA A 111 -5.765 -9.030 -10.306 1.00 0.00 H new ATOM 0 HB3 ALA A 111 -4.081 -8.638 -9.882 1.00 0.00 H new ATOM 1771 N THR A 112 -2.795 -10.962 -12.402 1.00 0.00 N ATOM 1772 CA THR A 112 -1.483 -11.023 -13.013 1.00 0.00 C ATOM 1773 C THR A 112 -1.127 -9.669 -13.617 1.00 0.00 C ATOM 1774 O THR A 112 0.047 -9.323 -13.759 1.00 0.00 O ATOM 1775 CB THR A 112 -1.425 -12.120 -14.098 1.00 0.00 C ATOM 1776 OG1 THR A 112 -2.578 -12.038 -14.949 1.00 0.00 O ATOM 1777 CG2 THR A 112 -1.364 -13.503 -13.470 1.00 0.00 C ATOM 0 H THR A 112 -3.570 -11.030 -13.061 1.00 0.00 H new ATOM 0 HA THR A 112 -0.758 -11.274 -12.239 1.00 0.00 H new ATOM 0 HB THR A 112 -0.522 -11.960 -14.688 1.00 0.00 H new ATOM 0 HG1 THR A 112 -2.529 -12.737 -15.634 1.00 0.00 H new ATOM 0 HG21 THR A 112 -1.324 -14.258 -14.255 1.00 0.00 H new ATOM 0 HG22 THR A 112 -0.473 -13.580 -12.846 1.00 0.00 H new ATOM 0 HG23 THR A 112 -2.251 -13.664 -12.857 1.00 0.00 H new ATOM 1785 N TYR A 113 -2.164 -8.904 -13.954 1.00 0.00 N ATOM 1786 CA TYR A 113 -2.000 -7.580 -14.538 1.00 0.00 C ATOM 1787 C TYR A 113 -2.904 -6.580 -13.830 1.00 0.00 C ATOM 1788 O TYR A 113 -4.108 -6.812 -13.696 1.00 0.00 O ATOM 1789 CB TYR A 113 -2.348 -7.591 -16.033 1.00 0.00 C ATOM 1790 CG TYR A 113 -1.402 -8.397 -16.893 1.00 0.00 C ATOM 1791 CD1 TYR A 113 -1.482 -9.781 -16.940 1.00 0.00 C ATOM 1792 CD2 TYR A 113 -0.432 -7.769 -17.665 1.00 0.00 C ATOM 1793 CE1 TYR A 113 -0.622 -10.518 -17.724 1.00 0.00 C ATOM 1794 CE2 TYR A 113 0.432 -8.500 -18.455 1.00 0.00 C ATOM 1795 CZ TYR A 113 0.334 -9.875 -18.480 1.00 0.00 C ATOM 1796 OH TYR A 113 1.199 -10.611 -19.256 1.00 0.00 O ATOM 0 H TYR A 113 -3.136 -9.186 -13.829 1.00 0.00 H new ATOM 0 HA TYR A 113 -0.956 -7.290 -14.417 1.00 0.00 H new ATOM 0 HB2 TYR A 113 -3.356 -7.987 -16.155 1.00 0.00 H new ATOM 0 HB3 TYR A 113 -2.363 -6.564 -16.397 1.00 0.00 H new ATOM 0 HD1 TYR A 113 -2.232 -10.290 -16.352 1.00 0.00 H new ATOM 0 HD2 TYR A 113 -0.353 -6.692 -17.646 1.00 0.00 H new ATOM 0 HE1 TYR A 113 -0.697 -11.595 -17.746 1.00 0.00 H new ATOM 0 HE2 TYR A 113 1.180 -7.998 -19.050 1.00 0.00 H new ATOM 0 HH TYR A 113 0.902 -11.545 -19.281 1.00 0.00 H new ATOM 1806 N LEU A 114 -2.323 -5.485 -13.367 1.00 0.00 N ATOM 1807 CA LEU A 114 -3.100 -4.388 -12.804 1.00 0.00 C ATOM 1808 C LEU A 114 -2.953 -3.150 -13.673 1.00 0.00 C ATOM 1809 O LEU A 114 -1.862 -2.608 -13.819 1.00 0.00 O ATOM 1810 CB LEU A 114 -2.669 -4.077 -11.366 1.00 0.00 C ATOM 1811 CG LEU A 114 -3.082 -5.116 -10.320 1.00 0.00 C ATOM 1812 CD1 LEU A 114 -2.665 -4.663 -8.928 1.00 0.00 C ATOM 1813 CD2 LEU A 114 -4.583 -5.358 -10.374 1.00 0.00 C ATOM 0 H LEU A 114 -1.315 -5.330 -13.369 1.00 0.00 H new ATOM 0 HA LEU A 114 -4.146 -4.692 -12.781 1.00 0.00 H new ATOM 0 HB2 LEU A 114 -1.584 -3.974 -11.344 1.00 0.00 H new ATOM 0 HB3 LEU A 114 -3.086 -3.112 -11.080 1.00 0.00 H new ATOM 0 HG LEU A 114 -2.574 -6.054 -10.545 1.00 0.00 H new ATOM 0 HD11 LEU A 114 -2.966 -5.413 -8.196 1.00 0.00 H new ATOM 0 HD12 LEU A 114 -1.583 -4.538 -8.895 1.00 0.00 H new ATOM 0 HD13 LEU A 114 -3.147 -3.714 -8.695 1.00 0.00 H new ATOM 0 HD21 LEU A 114 -4.859 -6.099 -9.624 1.00 0.00 H new ATOM 0 HD22 LEU A 114 -5.109 -4.425 -10.173 1.00 0.00 H new ATOM 0 HD23 LEU A 114 -4.857 -5.724 -11.364 1.00 0.00 H new ATOM 1825 N ARG A 115 -4.056 -2.715 -14.253 1.00 0.00 N ATOM 1826 CA ARG A 115 -4.054 -1.571 -15.145 1.00 0.00 C ATOM 1827 C ARG A 115 -4.690 -0.375 -14.450 1.00 0.00 C ATOM 1828 O ARG A 115 -5.902 -0.338 -14.242 1.00 0.00 O ATOM 1829 CB ARG A 115 -4.824 -1.911 -16.425 1.00 0.00 C ATOM 1830 CG ARG A 115 -4.741 -0.851 -17.514 1.00 0.00 C ATOM 1831 CD ARG A 115 -5.573 -1.253 -18.722 1.00 0.00 C ATOM 1832 NE ARG A 115 -5.414 -0.336 -19.849 1.00 0.00 N ATOM 1833 CZ ARG A 115 -6.330 -0.175 -20.806 1.00 0.00 C ATOM 1834 NH1 ARG A 115 -7.492 -0.819 -20.729 1.00 0.00 N ATOM 1835 NH2 ARG A 115 -6.097 0.644 -21.826 1.00 0.00 N ATOM 0 H ARG A 115 -4.973 -3.142 -14.120 1.00 0.00 H new ATOM 0 HA ARG A 115 -3.026 -1.320 -15.408 1.00 0.00 H new ATOM 0 HB2 ARG A 115 -4.444 -2.852 -16.823 1.00 0.00 H new ATOM 0 HB3 ARG A 115 -5.872 -2.071 -16.171 1.00 0.00 H new ATOM 0 HG2 ARG A 115 -5.093 0.105 -17.126 1.00 0.00 H new ATOM 0 HG3 ARG A 115 -3.702 -0.710 -17.813 1.00 0.00 H new ATOM 0 HD2 ARG A 115 -5.290 -2.258 -19.034 1.00 0.00 H new ATOM 0 HD3 ARG A 115 -6.624 -1.292 -18.437 1.00 0.00 H new ATOM 0 HE ARG A 115 -4.555 0.211 -19.907 1.00 0.00 H new ATOM 0 HH11 ARG A 115 -7.682 -1.435 -19.939 1.00 0.00 H new ATOM 0 HH12 ARG A 115 -8.193 -0.696 -21.460 1.00 0.00 H new ATOM 0 HH21 ARG A 115 -5.215 1.153 -21.880 1.00 0.00 H new ATOM 0 HH22 ARG A 115 -6.800 0.764 -22.555 1.00 0.00 H new ATOM 1849 N PHE A 116 -3.865 0.582 -14.065 1.00 0.00 N ATOM 1850 CA PHE A 116 -4.352 1.780 -13.401 1.00 0.00 C ATOM 1851 C PHE A 116 -4.685 2.850 -14.431 1.00 0.00 C ATOM 1852 O PHE A 116 -3.804 3.330 -15.147 1.00 0.00 O ATOM 1853 CB PHE A 116 -3.318 2.313 -12.407 1.00 0.00 C ATOM 1854 CG PHE A 116 -3.179 1.484 -11.161 1.00 0.00 C ATOM 1855 CD1 PHE A 116 -2.314 0.402 -11.116 1.00 0.00 C ATOM 1856 CD2 PHE A 116 -3.910 1.799 -10.029 1.00 0.00 C ATOM 1857 CE1 PHE A 116 -2.185 -0.351 -9.966 1.00 0.00 C ATOM 1858 CE2 PHE A 116 -3.785 1.052 -8.875 1.00 0.00 C ATOM 1859 CZ PHE A 116 -2.922 -0.025 -8.842 1.00 0.00 C ATOM 0 H PHE A 116 -2.854 0.554 -14.200 1.00 0.00 H new ATOM 0 HA PHE A 116 -5.255 1.521 -12.849 1.00 0.00 H new ATOM 0 HB2 PHE A 116 -2.349 2.369 -12.903 1.00 0.00 H new ATOM 0 HB3 PHE A 116 -3.591 3.330 -12.125 1.00 0.00 H new ATOM 0 HD1 PHE A 116 -1.734 0.145 -11.990 1.00 0.00 H new ATOM 0 HD2 PHE A 116 -4.587 2.640 -10.049 1.00 0.00 H new ATOM 0 HE1 PHE A 116 -1.510 -1.193 -9.944 1.00 0.00 H new ATOM 0 HE2 PHE A 116 -4.362 1.310 -7.999 1.00 0.00 H new ATOM 0 HZ PHE A 116 -2.823 -0.612 -7.941 1.00 0.00 H new ATOM 1869 N ILE A 117 -5.959 3.201 -14.518 1.00 0.00 N ATOM 1870 CA ILE A 117 -6.402 4.207 -15.464 1.00 0.00 C ATOM 1871 C ILE A 117 -6.923 5.444 -14.740 1.00 0.00 C ATOM 1872 O ILE A 117 -8.028 5.451 -14.192 1.00 0.00 O ATOM 1873 CB ILE A 117 -7.498 3.661 -16.404 1.00 0.00 C ATOM 1874 CG1 ILE A 117 -6.995 2.412 -17.136 1.00 0.00 C ATOM 1875 CG2 ILE A 117 -7.929 4.727 -17.404 1.00 0.00 C ATOM 1876 CD1 ILE A 117 -8.050 1.731 -17.982 1.00 0.00 C ATOM 0 H ILE A 117 -6.702 2.803 -13.944 1.00 0.00 H new ATOM 0 HA ILE A 117 -5.536 4.481 -16.066 1.00 0.00 H new ATOM 0 HB ILE A 117 -8.364 3.388 -15.802 1.00 0.00 H new ATOM 0 HG12 ILE A 117 -6.156 2.690 -17.773 1.00 0.00 H new ATOM 0 HG13 ILE A 117 -6.616 1.700 -16.402 1.00 0.00 H new ATOM 0 HG21 ILE A 117 -8.702 4.322 -18.057 1.00 0.00 H new ATOM 0 HG22 ILE A 117 -8.323 5.591 -16.868 1.00 0.00 H new ATOM 0 HG23 ILE A 117 -7.071 5.032 -18.003 1.00 0.00 H new ATOM 0 HD11 ILE A 117 -7.618 0.856 -18.468 1.00 0.00 H new ATOM 0 HD12 ILE A 117 -8.880 1.421 -17.348 1.00 0.00 H new ATOM 0 HD13 ILE A 117 -8.412 2.425 -18.740 1.00 0.00 H new ATOM 1888 N ILE A 118 -6.101 6.475 -14.721 1.00 0.00 N ATOM 1889 CA ILE A 118 -6.487 7.765 -14.181 1.00 0.00 C ATOM 1890 C ILE A 118 -7.164 8.578 -15.274 1.00 0.00 C ATOM 1891 O ILE A 118 -6.501 9.125 -16.157 1.00 0.00 O ATOM 1892 CB ILE A 118 -5.264 8.541 -13.643 1.00 0.00 C ATOM 1893 CG1 ILE A 118 -4.495 7.685 -12.631 1.00 0.00 C ATOM 1894 CG2 ILE A 118 -5.705 9.854 -13.008 1.00 0.00 C ATOM 1895 CD1 ILE A 118 -3.219 8.325 -12.129 1.00 0.00 C ATOM 0 H ILE A 118 -5.147 6.443 -15.079 1.00 0.00 H new ATOM 0 HA ILE A 118 -7.173 7.600 -13.350 1.00 0.00 H new ATOM 0 HB ILE A 118 -4.601 8.769 -14.478 1.00 0.00 H new ATOM 0 HG12 ILE A 118 -5.144 7.476 -11.780 1.00 0.00 H new ATOM 0 HG13 ILE A 118 -4.253 6.727 -13.091 1.00 0.00 H new ATOM 0 HG21 ILE A 118 -4.832 10.389 -12.634 1.00 0.00 H new ATOM 0 HG22 ILE A 118 -6.213 10.466 -13.753 1.00 0.00 H new ATOM 0 HG23 ILE A 118 -6.386 9.648 -12.182 1.00 0.00 H new ATOM 0 HD11 ILE A 118 -2.733 7.658 -11.417 1.00 0.00 H new ATOM 0 HD12 ILE A 118 -2.549 8.509 -12.969 1.00 0.00 H new ATOM 0 HD13 ILE A 118 -3.454 9.270 -11.639 1.00 0.00 H new ATOM 1907 N VAL A 119 -8.487 8.622 -15.232 1.00 0.00 N ATOM 1908 CA VAL A 119 -9.257 9.312 -16.256 1.00 0.00 C ATOM 1909 C VAL A 119 -9.029 10.815 -16.168 1.00 0.00 C ATOM 1910 O VAL A 119 -8.839 11.490 -17.179 1.00 0.00 O ATOM 1911 CB VAL A 119 -10.767 9.009 -16.129 1.00 0.00 C ATOM 1912 CG1 VAL A 119 -11.545 9.653 -17.267 1.00 0.00 C ATOM 1913 CG2 VAL A 119 -11.008 7.506 -16.092 1.00 0.00 C ATOM 0 H VAL A 119 -9.050 8.188 -14.500 1.00 0.00 H new ATOM 0 HA VAL A 119 -8.915 8.948 -17.225 1.00 0.00 H new ATOM 0 HB VAL A 119 -11.125 9.437 -15.192 1.00 0.00 H new ATOM 0 HG11 VAL A 119 -12.605 9.426 -17.157 1.00 0.00 H new ATOM 0 HG12 VAL A 119 -11.400 10.733 -17.241 1.00 0.00 H new ATOM 0 HG13 VAL A 119 -11.187 9.262 -18.219 1.00 0.00 H new ATOM 0 HG21 VAL A 119 -12.077 7.311 -16.002 1.00 0.00 H new ATOM 0 HG22 VAL A 119 -10.633 7.055 -17.010 1.00 0.00 H new ATOM 0 HG23 VAL A 119 -10.488 7.075 -15.237 1.00 0.00 H new ATOM 1923 N SER A 120 -9.025 11.324 -14.947 1.00 0.00 N ATOM 1924 CA SER A 120 -8.822 12.740 -14.713 1.00 0.00 C ATOM 1925 C SER A 120 -8.258 12.973 -13.314 1.00 0.00 C ATOM 1926 O SER A 120 -8.315 12.085 -12.458 1.00 0.00 O ATOM 1927 CB SER A 120 -10.143 13.490 -14.893 1.00 0.00 C ATOM 1928 OG SER A 120 -11.184 12.869 -14.153 1.00 0.00 O ATOM 0 H SER A 120 -9.161 10.772 -14.100 1.00 0.00 H new ATOM 0 HA SER A 120 -8.101 13.119 -15.437 1.00 0.00 H new ATOM 0 HB2 SER A 120 -10.026 14.523 -14.567 1.00 0.00 H new ATOM 0 HB3 SER A 120 -10.409 13.517 -15.950 1.00 0.00 H new ATOM 0 HG SER A 120 -12.019 13.366 -14.282 1.00 0.00 H new ATOM 1934 N ALA A 121 -7.708 14.157 -13.092 1.00 0.00 N ATOM 1935 CA ALA A 121 -7.143 14.518 -11.802 1.00 0.00 C ATOM 1936 C ALA A 121 -7.502 15.956 -11.462 1.00 0.00 C ATOM 1937 O ALA A 121 -7.902 16.719 -12.344 1.00 0.00 O ATOM 1938 CB ALA A 121 -5.633 14.329 -11.812 1.00 0.00 C ATOM 0 H ALA A 121 -7.641 14.891 -13.797 1.00 0.00 H new ATOM 0 HA ALA A 121 -7.562 13.864 -11.037 1.00 0.00 H new ATOM 0 HB1 ALA A 121 -5.225 14.604 -10.839 1.00 0.00 H new ATOM 0 HB2 ALA A 121 -5.398 13.286 -12.022 1.00 0.00 H new ATOM 0 HB3 ALA A 121 -5.192 14.962 -12.582 1.00 0.00 H new ATOM 1944 N PHE A 122 -7.376 16.323 -10.190 1.00 0.00 N ATOM 1945 CA PHE A 122 -7.667 17.690 -9.763 1.00 0.00 C ATOM 1946 C PHE A 122 -6.650 18.659 -10.350 1.00 0.00 C ATOM 1947 O PHE A 122 -6.964 19.815 -10.634 1.00 0.00 O ATOM 1948 CB PHE A 122 -7.665 17.797 -8.238 1.00 0.00 C ATOM 1949 CG PHE A 122 -8.791 17.060 -7.576 1.00 0.00 C ATOM 1950 CD1 PHE A 122 -10.059 17.612 -7.523 1.00 0.00 C ATOM 1951 CD2 PHE A 122 -8.579 15.820 -7.002 1.00 0.00 C ATOM 1952 CE1 PHE A 122 -11.096 16.938 -6.910 1.00 0.00 C ATOM 1953 CE2 PHE A 122 -9.610 15.141 -6.387 1.00 0.00 C ATOM 1954 CZ PHE A 122 -10.869 15.700 -6.341 1.00 0.00 C ATOM 0 H PHE A 122 -7.077 15.699 -9.441 1.00 0.00 H new ATOM 0 HA PHE A 122 -8.660 17.952 -10.129 1.00 0.00 H new ATOM 0 HB2 PHE A 122 -6.719 17.412 -7.858 1.00 0.00 H new ATOM 0 HB3 PHE A 122 -7.717 18.849 -7.957 1.00 0.00 H new ATOM 0 HD1 PHE A 122 -10.239 18.580 -7.966 1.00 0.00 H new ATOM 0 HD2 PHE A 122 -7.594 15.378 -7.036 1.00 0.00 H new ATOM 0 HE1 PHE A 122 -12.082 17.377 -6.875 1.00 0.00 H new ATOM 0 HE2 PHE A 122 -9.431 14.173 -5.942 1.00 0.00 H new ATOM 0 HZ PHE A 122 -11.678 15.170 -5.860 1.00 0.00 H new ATOM 1964 N ASP A 123 -5.434 18.174 -10.534 1.00 0.00 N ATOM 1965 CA ASP A 123 -4.372 18.962 -11.136 1.00 0.00 C ATOM 1966 C ASP A 123 -4.038 18.417 -12.515 1.00 0.00 C ATOM 1967 O ASP A 123 -4.476 17.323 -12.877 1.00 0.00 O ATOM 1968 CB ASP A 123 -3.120 18.959 -10.251 1.00 0.00 C ATOM 1969 CG ASP A 123 -3.269 19.841 -9.028 1.00 0.00 C ATOM 1970 OD1 ASP A 123 -3.090 21.072 -9.156 1.00 0.00 O ATOM 1971 OD2 ASP A 123 -3.561 19.314 -7.933 1.00 0.00 O ATOM 0 H ASP A 123 -5.156 17.228 -10.272 1.00 0.00 H new ATOM 0 HA ASP A 123 -4.720 19.991 -11.232 1.00 0.00 H new ATOM 0 HB2 ASP A 123 -2.906 17.938 -9.934 1.00 0.00 H new ATOM 0 HB3 ASP A 123 -2.265 19.297 -10.836 1.00 0.00 H new ATOM 1976 N HIS A 124 -3.264 19.172 -13.282 1.00 0.00 N ATOM 1977 CA HIS A 124 -2.890 18.752 -14.628 1.00 0.00 C ATOM 1978 C HIS A 124 -1.808 17.681 -14.569 1.00 0.00 C ATOM 1979 O HIS A 124 -1.635 16.902 -15.506 1.00 0.00 O ATOM 1980 CB HIS A 124 -2.408 19.951 -15.453 1.00 0.00 C ATOM 1981 CG HIS A 124 -2.092 19.618 -16.885 1.00 0.00 C ATOM 1982 ND1 HIS A 124 -3.061 19.327 -17.819 1.00 0.00 N ATOM 1983 CD2 HIS A 124 -0.909 19.530 -17.535 1.00 0.00 C ATOM 1984 CE1 HIS A 124 -2.490 19.077 -18.981 1.00 0.00 C ATOM 1985 NE2 HIS A 124 -1.184 19.196 -18.837 1.00 0.00 N ATOM 0 H HIS A 124 -2.883 20.075 -12.998 1.00 0.00 H new ATOM 0 HA HIS A 124 -3.771 18.331 -15.113 1.00 0.00 H new ATOM 0 HB2 HIS A 124 -3.174 20.726 -15.431 1.00 0.00 H new ATOM 0 HB3 HIS A 124 -1.518 20.369 -14.983 1.00 0.00 H new ATOM 0 HD2 HIS A 124 0.070 19.692 -17.108 1.00 0.00 H new ATOM 0 HE1 HIS A 124 -3.004 18.819 -19.895 1.00 0.00 H new ATOM 0 HE2 HIS A 124 -0.491 19.062 -19.574 1.00 0.00 H new ATOM 1993 N PHE A 125 -1.088 17.645 -13.463 1.00 0.00 N ATOM 1994 CA PHE A 125 -0.038 16.664 -13.274 1.00 0.00 C ATOM 1995 C PHE A 125 -0.389 15.743 -12.115 1.00 0.00 C ATOM 1996 O PHE A 125 -1.062 16.148 -11.166 1.00 0.00 O ATOM 1997 CB PHE A 125 1.314 17.353 -13.037 1.00 0.00 C ATOM 1998 CG PHE A 125 1.367 18.218 -11.806 1.00 0.00 C ATOM 1999 CD1 PHE A 125 0.860 19.509 -11.825 1.00 0.00 C ATOM 2000 CD2 PHE A 125 1.926 17.742 -10.632 1.00 0.00 C ATOM 2001 CE1 PHE A 125 0.911 20.305 -10.697 1.00 0.00 C ATOM 2002 CE2 PHE A 125 1.980 18.533 -9.501 1.00 0.00 C ATOM 2003 CZ PHE A 125 1.471 19.816 -9.534 1.00 0.00 C ATOM 0 H PHE A 125 -1.213 18.287 -12.680 1.00 0.00 H new ATOM 0 HA PHE A 125 0.048 16.064 -14.180 1.00 0.00 H new ATOM 0 HB2 PHE A 125 2.088 16.590 -12.963 1.00 0.00 H new ATOM 0 HB3 PHE A 125 1.553 17.965 -13.906 1.00 0.00 H new ATOM 0 HD1 PHE A 125 0.420 19.896 -12.732 1.00 0.00 H new ATOM 0 HD2 PHE A 125 2.325 16.739 -10.600 1.00 0.00 H new ATOM 0 HE1 PHE A 125 0.513 21.309 -10.725 1.00 0.00 H new ATOM 0 HE2 PHE A 125 2.420 18.149 -8.592 1.00 0.00 H new ATOM 0 HZ PHE A 125 1.511 20.436 -8.651 1.00 0.00 H new ATOM 2013 N ALA A 126 0.050 14.499 -12.204 1.00 0.00 N ATOM 2014 CA ALA A 126 -0.220 13.520 -11.165 1.00 0.00 C ATOM 2015 C ALA A 126 1.035 12.722 -10.856 1.00 0.00 C ATOM 2016 O ALA A 126 1.792 12.365 -11.760 1.00 0.00 O ATOM 2017 CB ALA A 126 -1.355 12.595 -11.583 1.00 0.00 C ATOM 0 H ALA A 126 0.597 14.142 -12.988 1.00 0.00 H new ATOM 0 HA ALA A 126 -0.526 14.047 -10.262 1.00 0.00 H new ATOM 0 HB1 ALA A 126 -1.543 11.869 -10.792 1.00 0.00 H new ATOM 0 HB2 ALA A 126 -2.257 13.182 -11.758 1.00 0.00 H new ATOM 0 HB3 ALA A 126 -1.079 12.071 -12.498 1.00 0.00 H new ATOM 2023 N SER A 127 1.258 12.451 -9.582 1.00 0.00 N ATOM 2024 CA SER A 127 2.442 11.729 -9.154 1.00 0.00 C ATOM 2025 C SER A 127 2.051 10.540 -8.283 1.00 0.00 C ATOM 2026 O SER A 127 1.103 10.621 -7.499 1.00 0.00 O ATOM 2027 CB SER A 127 3.371 12.666 -8.376 1.00 0.00 C ATOM 2028 OG SER A 127 3.580 13.881 -9.078 1.00 0.00 O ATOM 0 H SER A 127 0.632 12.721 -8.824 1.00 0.00 H new ATOM 0 HA SER A 127 2.965 11.359 -10.035 1.00 0.00 H new ATOM 0 HB2 SER A 127 2.941 12.878 -7.397 1.00 0.00 H new ATOM 0 HB3 SER A 127 4.328 12.173 -8.204 1.00 0.00 H new ATOM 0 HG SER A 127 3.819 13.685 -10.008 1.00 0.00 H new ATOM 2034 N VAL A 128 2.767 9.436 -8.428 1.00 0.00 N ATOM 2035 CA VAL A 128 2.525 8.265 -7.604 1.00 0.00 C ATOM 2036 C VAL A 128 3.740 8.007 -6.719 1.00 0.00 C ATOM 2037 O VAL A 128 4.878 8.155 -7.159 1.00 0.00 O ATOM 2038 CB VAL A 128 2.201 7.013 -8.457 1.00 0.00 C ATOM 2039 CG1 VAL A 128 3.390 6.608 -9.317 1.00 0.00 C ATOM 2040 CG2 VAL A 128 1.753 5.852 -7.574 1.00 0.00 C ATOM 0 H VAL A 128 3.519 9.328 -9.108 1.00 0.00 H new ATOM 0 HA VAL A 128 1.652 8.463 -6.982 1.00 0.00 H new ATOM 0 HB VAL A 128 1.378 7.271 -9.124 1.00 0.00 H new ATOM 0 HG11 VAL A 128 3.131 5.727 -9.904 1.00 0.00 H new ATOM 0 HG12 VAL A 128 3.650 7.427 -9.988 1.00 0.00 H new ATOM 0 HG13 VAL A 128 4.242 6.380 -8.676 1.00 0.00 H new ATOM 0 HG21 VAL A 128 1.532 4.985 -8.197 1.00 0.00 H new ATOM 0 HG22 VAL A 128 2.548 5.601 -6.872 1.00 0.00 H new ATOM 0 HG23 VAL A 128 0.859 6.139 -7.021 1.00 0.00 H new ATOM 2050 N HIS A 129 3.498 7.655 -5.468 1.00 0.00 N ATOM 2051 CA HIS A 129 4.583 7.416 -4.530 1.00 0.00 C ATOM 2052 C HIS A 129 4.894 5.927 -4.472 1.00 0.00 C ATOM 2053 O HIS A 129 6.029 5.512 -4.697 1.00 0.00 O ATOM 2054 CB HIS A 129 4.205 7.944 -3.138 1.00 0.00 C ATOM 2055 CG HIS A 129 5.348 8.018 -2.167 1.00 0.00 C ATOM 2056 ND1 HIS A 129 5.961 9.204 -1.818 1.00 0.00 N ATOM 2057 CD2 HIS A 129 5.973 7.052 -1.450 1.00 0.00 C ATOM 2058 CE1 HIS A 129 6.911 8.963 -0.935 1.00 0.00 C ATOM 2059 NE2 HIS A 129 6.940 7.664 -0.691 1.00 0.00 N ATOM 0 H HIS A 129 2.564 7.529 -5.079 1.00 0.00 H new ATOM 0 HA HIS A 129 5.473 7.947 -4.868 1.00 0.00 H new ATOM 0 HB2 HIS A 129 3.772 8.938 -3.246 1.00 0.00 H new ATOM 0 HB3 HIS A 129 3.430 7.303 -2.719 1.00 0.00 H new ATOM 0 HD2 HIS A 129 5.751 5.995 -1.472 1.00 0.00 H new ATOM 0 HE1 HIS A 129 7.557 9.703 -0.486 1.00 0.00 H new ATOM 0 HE2 HIS A 129 7.575 7.194 -0.046 1.00 0.00 H new ATOM 2067 N SER A 130 3.878 5.130 -4.170 1.00 0.00 N ATOM 2068 CA SER A 130 4.026 3.682 -4.093 1.00 0.00 C ATOM 2069 C SER A 130 2.666 3.005 -4.260 1.00 0.00 C ATOM 2070 O SER A 130 1.715 3.336 -3.556 1.00 0.00 O ATOM 2071 CB SER A 130 4.648 3.276 -2.748 1.00 0.00 C ATOM 2072 OG SER A 130 5.890 3.933 -2.535 1.00 0.00 O ATOM 0 H SER A 130 2.935 5.465 -3.973 1.00 0.00 H new ATOM 0 HA SER A 130 4.687 3.359 -4.897 1.00 0.00 H new ATOM 0 HB2 SER A 130 3.961 3.521 -1.938 1.00 0.00 H new ATOM 0 HB3 SER A 130 4.796 2.196 -2.724 1.00 0.00 H new ATOM 0 HG SER A 130 6.203 4.322 -3.378 1.00 0.00 H new ATOM 2078 N VAL A 131 2.567 2.087 -5.208 1.00 0.00 N ATOM 2079 CA VAL A 131 1.345 1.315 -5.399 1.00 0.00 C ATOM 2080 C VAL A 131 1.631 -0.168 -5.205 1.00 0.00 C ATOM 2081 O VAL A 131 2.019 -0.871 -6.134 1.00 0.00 O ATOM 2082 CB VAL A 131 0.703 1.562 -6.787 1.00 0.00 C ATOM 2083 CG1 VAL A 131 -0.075 2.868 -6.786 1.00 0.00 C ATOM 2084 CG2 VAL A 131 1.760 1.579 -7.885 1.00 0.00 C ATOM 0 H VAL A 131 3.318 1.857 -5.859 1.00 0.00 H new ATOM 0 HA VAL A 131 0.627 1.650 -4.650 1.00 0.00 H new ATOM 0 HB VAL A 131 0.015 0.742 -6.990 1.00 0.00 H new ATOM 0 HG11 VAL A 131 -0.520 3.027 -7.768 1.00 0.00 H new ATOM 0 HG12 VAL A 131 -0.863 2.822 -6.034 1.00 0.00 H new ATOM 0 HG13 VAL A 131 0.599 3.693 -6.555 1.00 0.00 H new ATOM 0 HG21 VAL A 131 1.281 1.754 -8.848 1.00 0.00 H new ATOM 0 HG22 VAL A 131 2.478 2.375 -7.687 1.00 0.00 H new ATOM 0 HG23 VAL A 131 2.278 0.620 -7.906 1.00 0.00 H new ATOM 2094 N SER A 132 1.458 -0.632 -3.980 1.00 0.00 N ATOM 2095 CA SER A 132 1.854 -1.980 -3.615 1.00 0.00 C ATOM 2096 C SER A 132 0.650 -2.879 -3.378 1.00 0.00 C ATOM 2097 O SER A 132 -0.402 -2.420 -2.927 1.00 0.00 O ATOM 2098 CB SER A 132 2.708 -1.933 -2.354 1.00 0.00 C ATOM 2099 OG SER A 132 3.801 -1.046 -2.513 1.00 0.00 O ATOM 0 H SER A 132 1.045 -0.093 -3.219 1.00 0.00 H new ATOM 0 HA SER A 132 2.425 -2.398 -4.444 1.00 0.00 H new ATOM 0 HB2 SER A 132 2.097 -1.615 -1.509 1.00 0.00 H new ATOM 0 HB3 SER A 132 3.077 -2.932 -2.123 1.00 0.00 H new ATOM 0 HG SER A 132 4.576 -1.390 -2.022 1.00 0.00 H new ATOM 2105 N ALA A 133 0.811 -4.162 -3.680 1.00 0.00 N ATOM 2106 CA ALA A 133 -0.214 -5.142 -3.393 1.00 0.00 C ATOM 2107 C ALA A 133 0.305 -6.075 -2.322 1.00 0.00 C ATOM 2108 O ALA A 133 1.366 -6.656 -2.481 1.00 0.00 O ATOM 2109 CB ALA A 133 -0.585 -5.920 -4.647 1.00 0.00 C ATOM 0 H ALA A 133 1.646 -4.543 -4.125 1.00 0.00 H new ATOM 0 HA ALA A 133 -1.115 -4.639 -3.042 1.00 0.00 H new ATOM 0 HB1 ALA A 133 -1.357 -6.651 -4.407 1.00 0.00 H new ATOM 0 HB2 ALA A 133 -0.960 -5.232 -5.405 1.00 0.00 H new ATOM 0 HB3 ALA A 133 0.296 -6.436 -5.029 1.00 0.00 H new ATOM 2115 N GLU A 134 -0.413 -6.196 -1.225 1.00 0.00 N ATOM 2116 CA GLU A 134 0.055 -7.007 -0.122 1.00 0.00 C ATOM 2117 C GLU A 134 -0.743 -8.297 -0.022 1.00 0.00 C ATOM 2118 O GLU A 134 -1.919 -8.352 -0.397 1.00 0.00 O ATOM 2119 CB GLU A 134 0.001 -6.229 1.193 1.00 0.00 C ATOM 2120 CG GLU A 134 0.838 -4.959 1.169 1.00 0.00 C ATOM 2121 CD GLU A 134 1.142 -4.433 2.555 1.00 0.00 C ATOM 2122 OE1 GLU A 134 0.244 -3.843 3.187 1.00 0.00 O ATOM 2123 OE2 GLU A 134 2.285 -4.625 3.027 1.00 0.00 O ATOM 0 H GLU A 134 -1.316 -5.747 -1.074 1.00 0.00 H new ATOM 0 HA GLU A 134 1.096 -7.267 -0.315 1.00 0.00 H new ATOM 0 HB2 GLU A 134 -1.035 -5.970 1.413 1.00 0.00 H new ATOM 0 HB3 GLU A 134 0.348 -6.871 2.003 1.00 0.00 H new ATOM 0 HG2 GLU A 134 1.774 -5.156 0.646 1.00 0.00 H new ATOM 0 HG3 GLU A 134 0.311 -4.192 0.601 1.00 0.00 H new ATOM 2130 N GLY A 135 -0.091 -9.328 0.483 1.00 0.00 N ATOM 2131 CA GLY A 135 -0.687 -10.637 0.548 1.00 0.00 C ATOM 2132 C GLY A 135 0.376 -11.708 0.553 1.00 0.00 C ATOM 2133 O GLY A 135 1.349 -11.608 1.300 1.00 0.00 O ATOM 0 H GLY A 135 0.857 -9.277 0.855 1.00 0.00 H new ATOM 0 HA2 GLY A 135 -1.298 -10.720 1.447 1.00 0.00 H new ATOM 0 HA3 GLY A 135 -1.352 -10.782 -0.303 1.00 0.00 H new ATOM 2137 N THR A 136 0.225 -12.711 -0.299 1.00 0.00 N ATOM 2138 CA THR A 136 1.187 -13.810 -0.352 1.00 0.00 C ATOM 2139 C THR A 136 1.276 -14.404 -1.755 1.00 0.00 C ATOM 2140 O THR A 136 0.397 -14.185 -2.583 1.00 0.00 O ATOM 2141 CB THR A 136 0.828 -14.918 0.661 1.00 0.00 C ATOM 2142 OG1 THR A 136 -0.596 -15.051 0.760 1.00 0.00 O ATOM 2143 CG2 THR A 136 1.421 -14.627 2.031 1.00 0.00 C ATOM 0 H THR A 136 -0.548 -12.790 -0.960 1.00 0.00 H new ATOM 0 HA THR A 136 2.160 -13.395 -0.087 1.00 0.00 H new ATOM 0 HB THR A 136 1.254 -15.855 0.301 1.00 0.00 H new ATOM 0 HG1 THR A 136 -0.815 -15.757 1.403 1.00 0.00 H new ATOM 0 HG21 THR A 136 1.150 -15.426 2.722 1.00 0.00 H new ATOM 0 HG22 THR A 136 2.507 -14.568 1.952 1.00 0.00 H new ATOM 0 HG23 THR A 136 1.032 -13.679 2.402 1.00 0.00 H new ATOM 2151 N VAL A 137 2.338 -15.153 -2.015 1.00 0.00 N ATOM 2152 CA VAL A 137 2.569 -15.732 -3.332 1.00 0.00 C ATOM 2153 C VAL A 137 1.819 -17.051 -3.495 1.00 0.00 C ATOM 2154 O VAL A 137 1.862 -17.913 -2.616 1.00 0.00 O ATOM 2155 CB VAL A 137 4.073 -15.971 -3.575 1.00 0.00 C ATOM 2156 CG1 VAL A 137 4.313 -16.589 -4.944 1.00 0.00 C ATOM 2157 CG2 VAL A 137 4.851 -14.672 -3.428 1.00 0.00 C ATOM 0 H VAL A 137 3.058 -15.375 -1.327 1.00 0.00 H new ATOM 0 HA VAL A 137 2.196 -15.018 -4.066 1.00 0.00 H new ATOM 0 HB VAL A 137 4.430 -16.674 -2.822 1.00 0.00 H new ATOM 0 HG11 VAL A 137 5.382 -16.747 -5.090 1.00 0.00 H new ATOM 0 HG12 VAL A 137 3.793 -17.545 -5.008 1.00 0.00 H new ATOM 0 HG13 VAL A 137 3.937 -15.919 -5.717 1.00 0.00 H new ATOM 0 HG21 VAL A 137 5.910 -14.860 -3.603 1.00 0.00 H new ATOM 0 HG22 VAL A 137 4.487 -13.946 -4.154 1.00 0.00 H new ATOM 0 HG23 VAL A 137 4.714 -14.278 -2.421 1.00 0.00 H new ATOM 2167 N VAL A 138 1.131 -17.196 -4.621 1.00 0.00 N ATOM 2168 CA VAL A 138 0.416 -18.427 -4.921 1.00 0.00 C ATOM 2169 C VAL A 138 1.324 -19.395 -5.672 1.00 0.00 C ATOM 2170 O VAL A 138 1.783 -20.390 -5.115 1.00 0.00 O ATOM 2171 CB VAL A 138 -0.848 -18.167 -5.768 1.00 0.00 C ATOM 2172 CG1 VAL A 138 -1.637 -19.453 -5.970 1.00 0.00 C ATOM 2173 CG2 VAL A 138 -1.718 -17.101 -5.125 1.00 0.00 C ATOM 0 H VAL A 138 1.054 -16.476 -5.340 1.00 0.00 H new ATOM 0 HA VAL A 138 0.110 -18.860 -3.969 1.00 0.00 H new ATOM 0 HB VAL A 138 -0.531 -17.804 -6.746 1.00 0.00 H new ATOM 0 HG11 VAL A 138 -2.523 -19.246 -6.570 1.00 0.00 H new ATOM 0 HG12 VAL A 138 -1.014 -20.185 -6.484 1.00 0.00 H new ATOM 0 HG13 VAL A 138 -1.939 -19.850 -5.001 1.00 0.00 H new ATOM 0 HG21 VAL A 138 -2.603 -16.934 -5.739 1.00 0.00 H new ATOM 0 HG22 VAL A 138 -2.023 -17.430 -4.132 1.00 0.00 H new ATOM 0 HG23 VAL A 138 -1.154 -16.172 -5.042 1.00 0.00 H new ATOM 2183 N SER A 139 1.603 -19.080 -6.929 1.00 0.00 N ATOM 2184 CA SER A 139 2.409 -19.946 -7.768 1.00 0.00 C ATOM 2185 C SER A 139 3.312 -19.128 -8.687 1.00 0.00 C ATOM 2186 O SER A 139 2.951 -18.025 -9.114 1.00 0.00 O ATOM 2187 CB SER A 139 1.502 -20.873 -8.584 1.00 0.00 C ATOM 2188 OG SER A 139 0.491 -20.137 -9.254 1.00 0.00 O ATOM 0 H SER A 139 1.281 -18.228 -7.388 1.00 0.00 H new ATOM 0 HA SER A 139 3.049 -20.554 -7.128 1.00 0.00 H new ATOM 0 HB2 SER A 139 2.099 -21.423 -9.312 1.00 0.00 H new ATOM 0 HB3 SER A 139 1.043 -21.611 -7.925 1.00 0.00 H new ATOM 0 HG SER A 139 -0.073 -20.751 -9.769 1.00 0.00 H new