USER MOD reduce.3.24.130724 H: found=0, std=0, add=1458, rem=0, adj=50 USER MOD reduce.3.24.130724 removed 1458 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 123 ASN : amide:sc= 0.362 K(o=0.39,f=-5.8!) USER MOD Set 1.2: A 199 TYR OH : rot 180:sc= 0.0267 USER MOD Set 2.1: A 134 MET CE :methyl -159:sc= -0.0149 (180deg=-0.923) USER MOD Set 2.2: A 188 HIS : no HD1:sc= -0.944 K(o=-0.96,f=-1.5) USER MOD Set 3.1: A 113 MET CE :methyl -152:sc= -0.381 (180deg=-0.916) USER MOD Set 3.2: A 124 HIS : no HD1:sc= -0.312 K(o=-0.69,f=-1.8) USER MOD Set 4.1: A 109 THR OG1 : rot -55:sc= 0.704 USER MOD Set 4.2: A 176 HIS : no HD1:sc= -6.28! C(o=-5.6!,f=-14!) USER MOD Set 5.1: A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 5.2: A 99 THR OG1 : rot 150:sc= -0.787 USER MOD Set 6.1: A 84 LYS NZ :NH3+ -177:sc= 0.996 (180deg=-0.173) USER MOD Set 6.2: A 105 SER OG : rot 35:sc= 2.26 USER MOD Set 7.1: A 29 CYS SG : rot 180:sc= 1.05 USER MOD Set 7.2: A 81 TYR OH : rot 0:sc= 1.34 USER MOD Set 8.1: A 5 SER OG : rot 87:sc= 1.06 USER MOD Set 8.2: A 75 ASN : amide:sc= -1.09 K(o=-0.024,f=-4!) USER MOD Single : A 0 THR OG1 : rot 180:sc= -0.681 USER MOD Single : A 1 MET CE :methyl -133:sc= -2.02! (180deg=-5.02!) USER MOD Single : A 7 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0341) USER MOD Single : A 9 SER OG : rot 180:sc= -0.438 USER MOD Single : A -5 GLY N :NH3+ -138:sc= 0.0792 (180deg=0) USER MOD Single : A 12 ASN : amide:sc=-0.00725 X(o=-0.0072,f=0) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 MET CE :methyl -176:sc= -2.71! (180deg=-2.75!) USER MOD Single : A 18 GLN : amide:sc= 0 X(o=0,f=-0.18) USER MOD Single : A 22 SER OG : rot 180:sc= 0.0131 USER MOD Single : A 23 THR OG1 : rot -130:sc= -0.317 USER MOD Single : A 24 MET CE :methyl -177:sc= -0.339 (180deg=-0.398) USER MOD Single : A 26 TYR OH : rot -132:sc= 0.989 USER MOD Single : A 31 MET CE :methyl 164:sc= -3.08! (180deg=-3.2) USER MOD Single : A 45 ASN : amide:sc= -0.0136 X(o=-0.014,f=-0.12) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 57 LYS NZ :NH3+ 162:sc= -0.0311 (180deg=-0.22) USER MOD Single : A 58 LYS NZ :NH3+ -146:sc= 1.18 (180deg=1.14) USER MOD Single : A 66 LYS NZ :NH3+ 168:sc= -0.593! (180deg=-1.26) USER MOD Single : A 70 TYR OH : rot 180:sc= 0 USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 MET CE :methyl -168:sc= -0.0151 (180deg=-0.236) USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 MET CE :methyl 149:sc= -1.88 (180deg=-4.66!) USER MOD Single : A 83 LYS NZ :NH3+ -147:sc= -0.672 (180deg=-2.42!) USER MOD Single : A 85 GLN : amide:sc= -1.91! C(o=-1.9!,f=-6.7!) USER MOD Single : A 92 MET CE :methyl -178:sc= -3.51! (180deg=-3.52!) USER MOD Single : A 96 THR OG1 : rot 180:sc= -0.18 USER MOD Single : A 98 LYS NZ :NH3+ -111:sc= -1.93! (180deg=-4.57!) USER MOD Single : A 101 MET CE :methyl -104:sc= -4.72! (180deg=-6.75!) USER MOD Single : A 106 LYS NZ :NH3+ 168:sc= -0.659 (180deg=-0.761) USER MOD Single : A 107 THR OG1 : rot 180:sc= 0 USER MOD Single : A 111 MET CE :methyl 165:sc= -5.69! (180deg=-7.89!) USER MOD Single : A 114 THR OG1 : rot 72:sc= 0.132 USER MOD Single : A 116 CYS SG : rot -160:sc= -3.55 USER MOD Single : A 122 THR OG1 : rot 180:sc= 0 USER MOD Single : A 127 TYR OH : rot 180:sc= 0 USER MOD Single : A 128 SER OG : rot 180:sc= 0 USER MOD Single : A 137 LYS NZ :NH3+ -121:sc= 0.0438 (180deg=-0.0605) USER MOD Single : A 138 LYS NZ :NH3+ 164:sc= 1.33 (180deg=-0.163) USER MOD Single : A 172 ASN :FLIP amide:sc= -0.113 F(o=-1.2,f=-0.11) USER MOD Single : A 179 THR OG1 : rot 58:sc= 1.26 USER MOD Single : A 183 GLN : amide:sc= -0.71 K(o=-0.71,f=-5!) USER MOD Single : A 190 THR OG1 : rot 180:sc= 0 USER MOD Single : A 196 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 200 SER OG : rot 180:sc= 0 USER MOD Single : A 202 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A -5 -34.298 -15.425 -2.310 1.00 10.08 N ATOM 2 CA GLY A -5 -34.495 -14.259 -1.420 1.00 9.65 C ATOM 3 C GLY A -5 -33.672 -13.069 -1.862 1.00 8.52 C ATOM 4 O GLY A -5 -33.074 -13.088 -2.941 1.00 8.35 O ATOM 0 H1 GLY A -5 -35.214 -15.882 -2.491 1.00 10.08 H new ATOM 0 H2 GLY A -5 -33.885 -15.109 -3.211 1.00 10.08 H new ATOM 0 H3 GLY A -5 -33.656 -16.105 -1.855 1.00 10.08 H new ATOM 0 HA2 GLY A -5 -35.550 -13.986 -1.407 1.00 9.65 H new ATOM 0 HA3 GLY A -5 -34.223 -14.530 -0.400 1.00 9.65 H new ATOM 10 N ILE A -4 -33.645 -12.034 -1.036 1.00 7.94 N ATOM 11 CA ILE A -4 -32.885 -10.832 -1.334 1.00 6.97 C ATOM 12 C ILE A -4 -32.436 -10.155 -0.042 1.00 6.09 C ATOM 13 O ILE A -4 -33.230 -9.958 0.879 1.00 5.96 O ATOM 14 CB ILE A -4 -33.705 -9.834 -2.191 1.00 7.12 C ATOM 15 CG1 ILE A -4 -32.906 -8.548 -2.430 1.00 7.77 C ATOM 16 CG2 ILE A -4 -35.044 -9.522 -1.533 1.00 7.21 C ATOM 17 CD1 ILE A -4 -33.631 -7.524 -3.277 1.00 8.21 C ATOM 0 H ILE A -4 -34.145 -12.004 -0.148 1.00 7.94 H new ATOM 0 HA ILE A -4 -32.010 -11.132 -1.910 1.00 6.97 H new ATOM 0 HB ILE A -4 -33.905 -10.300 -3.156 1.00 7.12 H new ATOM 0 HG12 ILE A -4 -32.660 -8.100 -1.467 1.00 7.77 H new ATOM 0 HG13 ILE A -4 -31.963 -8.802 -2.913 1.00 7.77 H new ATOM 0 HG21 ILE A -4 -35.600 -8.820 -2.154 1.00 7.21 H new ATOM 0 HG22 ILE A -4 -35.618 -10.442 -1.423 1.00 7.21 H new ATOM 0 HG23 ILE A -4 -34.873 -9.081 -0.551 1.00 7.21 H new ATOM 0 HD11 ILE A -4 -33.001 -6.643 -3.401 1.00 8.21 H new ATOM 0 HD12 ILE A -4 -33.853 -7.952 -4.255 1.00 8.21 H new ATOM 0 HD13 ILE A -4 -34.561 -7.239 -2.786 1.00 8.21 H new ATOM 29 N ASP A -3 -31.159 -9.829 0.036 1.00 5.76 N ATOM 30 CA ASP A -3 -30.627 -9.122 1.190 1.00 5.11 C ATOM 31 C ASP A -3 -30.607 -7.622 0.915 1.00 4.13 C ATOM 32 O ASP A -3 -29.883 -7.143 0.040 1.00 4.11 O ATOM 33 CB ASP A -3 -29.230 -9.640 1.558 1.00 5.67 C ATOM 34 CG ASP A -3 -28.219 -9.506 0.434 1.00 6.72 C ATOM 35 OD1 ASP A -3 -28.392 -10.168 -0.615 1.00 7.08 O ATOM 36 OD2 ASP A -3 -27.232 -8.757 0.599 1.00 7.33 O ATOM 0 H ASP A -3 -30.470 -10.042 -0.685 1.00 5.76 H new ATOM 0 HA ASP A -3 -31.277 -9.308 2.045 1.00 5.11 H new ATOM 0 HB2 ASP A -3 -28.867 -9.095 2.429 1.00 5.67 H new ATOM 0 HB3 ASP A -3 -29.304 -10.689 1.846 1.00 5.67 H new ATOM 41 N PRO A -2 -31.437 -6.865 1.641 1.00 3.75 N ATOM 42 CA PRO A -2 -31.584 -5.432 1.431 1.00 3.21 C ATOM 43 C PRO A -2 -30.550 -4.611 2.194 1.00 2.50 C ATOM 44 O PRO A -2 -29.862 -5.119 3.081 1.00 2.81 O ATOM 45 CB PRO A -2 -32.987 -5.163 1.970 1.00 3.86 C ATOM 46 CG PRO A -2 -33.163 -6.153 3.073 1.00 4.50 C ATOM 47 CD PRO A -2 -32.307 -7.349 2.729 1.00 4.43 C ATOM 0 HA PRO A -2 -31.438 -5.150 0.388 1.00 3.21 H new ATOM 0 HB2 PRO A -2 -33.082 -4.141 2.336 1.00 3.86 H new ATOM 0 HB3 PRO A -2 -33.742 -5.295 1.195 1.00 3.86 H new ATOM 0 HG2 PRO A -2 -32.861 -5.724 4.029 1.00 4.50 H new ATOM 0 HG3 PRO A -2 -34.210 -6.442 3.169 1.00 4.50 H new ATOM 0 HD2 PRO A -2 -31.724 -7.683 3.588 1.00 4.43 H new ATOM 0 HD3 PRO A -2 -32.914 -8.195 2.408 1.00 4.43 H new ATOM 55 N PHE A -1 -30.455 -3.342 1.843 1.00 2.13 N ATOM 56 CA PHE A -1 -29.568 -2.416 2.504 1.00 1.78 C ATOM 57 C PHE A -1 -30.385 -1.323 3.155 1.00 1.73 C ATOM 58 O PHE A -1 -30.721 -0.313 2.533 1.00 2.21 O ATOM 59 CB PHE A -1 -28.560 -1.823 1.521 1.00 2.13 C ATOM 60 CG PHE A -1 -27.486 -2.787 1.107 1.00 2.45 C ATOM 61 CD1 PHE A -1 -26.633 -3.341 2.045 1.00 2.78 C ATOM 62 CD2 PHE A -1 -27.334 -3.136 -0.225 1.00 2.89 C ATOM 63 CE1 PHE A -1 -25.645 -4.228 1.661 1.00 3.51 C ATOM 64 CE2 PHE A -1 -26.349 -4.023 -0.615 1.00 3.47 C ATOM 65 CZ PHE A -1 -25.496 -4.572 0.354 1.00 3.78 C ATOM 0 H PHE A -1 -30.997 -2.927 1.085 1.00 2.13 H new ATOM 0 HA PHE A -1 -29.004 -2.950 3.268 1.00 1.78 H new ATOM 0 HB2 PHE A -1 -29.090 -1.479 0.633 1.00 2.13 H new ATOM 0 HB3 PHE A -1 -28.096 -0.947 1.974 1.00 2.13 H new ATOM 0 HD1 PHE A -1 -26.740 -3.078 3.087 1.00 2.78 H new ATOM 0 HD2 PHE A -1 -27.993 -2.710 -0.967 1.00 2.89 H new ATOM 0 HE1 PHE A -1 -24.986 -4.651 2.405 1.00 3.51 H new ATOM 0 HE2 PHE A -1 -26.237 -4.291 -1.655 1.00 3.47 H new ATOM 0 HZ PHE A -1 -24.722 -5.267 0.062 1.00 3.78 H new ATOM 75 N THR A 0 -30.761 -1.579 4.388 1.00 1.54 N ATOM 76 CA THR A 0 -31.516 -0.630 5.186 1.00 1.59 C ATOM 77 C THR A 0 -30.643 0.563 5.591 1.00 1.40 C ATOM 78 O THR A 0 -29.626 0.840 4.953 1.00 1.49 O ATOM 79 CB THR A 0 -32.102 -1.317 6.434 1.00 1.75 C ATOM 80 OG1 THR A 0 -31.067 -1.997 7.158 1.00 1.70 O ATOM 81 CG2 THR A 0 -33.191 -2.307 6.048 1.00 2.11 C ATOM 0 H THR A 0 -30.553 -2.453 4.870 1.00 1.54 H new ATOM 0 HA THR A 0 -32.339 -0.257 4.577 1.00 1.59 H new ATOM 0 HB THR A 0 -32.540 -0.547 7.069 1.00 1.75 H new ATOM 0 HG1 THR A 0 -31.451 -2.428 7.950 1.00 1.70 H new ATOM 0 HG21 THR A 0 -33.589 -2.779 6.946 1.00 2.11 H new ATOM 0 HG22 THR A 0 -33.993 -1.782 5.529 1.00 2.11 H new ATOM 0 HG23 THR A 0 -32.773 -3.070 5.392 1.00 2.11 H new ATOM 89 N MET A 1 -31.016 1.267 6.656 1.00 1.38 N ATOM 90 CA MET A 1 -30.301 2.480 7.043 1.00 1.36 C ATOM 91 C MET A 1 -29.038 2.146 7.831 1.00 1.21 C ATOM 92 O MET A 1 -28.643 2.845 8.768 1.00 1.42 O ATOM 93 CB MET A 1 -31.210 3.419 7.835 1.00 1.66 C ATOM 94 CG MET A 1 -30.718 4.862 7.902 1.00 1.86 C ATOM 95 SD MET A 1 -30.839 5.743 6.324 1.00 2.09 S ATOM 96 CE MET A 1 -29.355 5.206 5.468 1.00 1.64 C ATOM 0 H MET A 1 -31.800 1.023 7.261 1.00 1.38 H new ATOM 0 HA MET A 1 -29.997 2.995 6.132 1.00 1.36 H new ATOM 0 HB2 MET A 1 -32.204 3.407 7.387 1.00 1.66 H new ATOM 0 HB3 MET A 1 -31.313 3.035 8.850 1.00 1.66 H new ATOM 0 HG2 MET A 1 -31.296 5.400 8.654 1.00 1.86 H new ATOM 0 HG3 MET A 1 -29.680 4.868 8.233 1.00 1.86 H new ATOM 0 HE1 MET A 1 -28.851 6.071 5.037 1.00 1.64 H new ATOM 0 HE2 MET A 1 -28.687 4.711 6.173 1.00 1.64 H new ATOM 0 HE3 MET A 1 -29.625 4.510 4.674 1.00 1.64 H new ATOM 106 N VAL A 2 -28.398 1.088 7.390 1.00 1.00 N ATOM 107 CA VAL A 2 -27.134 0.632 7.920 1.00 0.98 C ATOM 108 C VAL A 2 -26.283 0.153 6.755 1.00 0.79 C ATOM 109 O VAL A 2 -25.779 -0.966 6.738 1.00 0.92 O ATOM 110 CB VAL A 2 -27.294 -0.502 8.963 1.00 1.21 C ATOM 111 CG1 VAL A 2 -27.917 0.025 10.248 1.00 1.56 C ATOM 112 CG2 VAL A 2 -28.125 -1.648 8.399 1.00 1.32 C ATOM 0 H VAL A 2 -28.752 0.505 6.632 1.00 1.00 H new ATOM 0 HA VAL A 2 -26.659 1.462 8.442 1.00 0.98 H new ATOM 0 HB VAL A 2 -26.300 -0.883 9.196 1.00 1.21 H new ATOM 0 HG11 VAL A 2 -28.019 -0.790 10.964 1.00 1.56 H new ATOM 0 HG12 VAL A 2 -27.279 0.801 10.670 1.00 1.56 H new ATOM 0 HG13 VAL A 2 -28.900 0.442 10.031 1.00 1.56 H new ATOM 0 HG21 VAL A 2 -28.222 -2.431 9.151 1.00 1.32 H new ATOM 0 HG22 VAL A 2 -29.115 -1.281 8.127 1.00 1.32 H new ATOM 0 HG23 VAL A 2 -27.633 -2.053 7.515 1.00 1.32 H new ATOM 122 N ALA A 3 -26.158 1.011 5.763 1.00 0.66 N ATOM 123 CA ALA A 3 -25.390 0.688 4.575 1.00 0.55 C ATOM 124 C ALA A 3 -24.811 1.931 3.944 1.00 0.60 C ATOM 125 O ALA A 3 -25.439 2.570 3.097 1.00 1.10 O ATOM 126 CB ALA A 3 -26.228 -0.055 3.559 1.00 0.63 C ATOM 0 H ALA A 3 -26.579 1.940 5.755 1.00 0.66 H new ATOM 0 HA ALA A 3 -24.573 0.040 4.892 1.00 0.55 H new ATOM 0 HB1 ALA A 3 -25.621 -0.281 2.682 1.00 0.63 H new ATOM 0 HB2 ALA A 3 -26.592 -0.984 3.997 1.00 0.63 H new ATOM 0 HB3 ALA A 3 -27.076 0.564 3.264 1.00 0.63 H new ATOM 132 N LEU A 4 -23.654 2.312 4.438 1.00 0.45 N ATOM 133 CA LEU A 4 -22.841 3.353 3.835 1.00 0.41 C ATOM 134 C LEU A 4 -22.819 3.266 2.316 1.00 0.39 C ATOM 135 O LEU A 4 -22.541 2.217 1.738 1.00 0.38 O ATOM 136 CB LEU A 4 -21.412 3.252 4.368 1.00 0.41 C ATOM 137 CG LEU A 4 -21.290 3.187 5.891 1.00 0.56 C ATOM 138 CD1 LEU A 4 -19.834 3.097 6.305 1.00 1.16 C ATOM 139 CD2 LEU A 4 -21.958 4.390 6.531 1.00 1.46 C ATOM 0 H LEU A 4 -23.244 1.905 5.279 1.00 0.45 H new ATOM 0 HA LEU A 4 -23.285 4.312 4.102 1.00 0.41 H new ATOM 0 HB2 LEU A 4 -20.945 2.364 3.943 1.00 0.41 H new ATOM 0 HB3 LEU A 4 -20.846 4.112 4.010 1.00 0.41 H new ATOM 0 HG LEU A 4 -21.800 2.289 6.240 1.00 0.56 H new ATOM 0 HD11 LEU A 4 -19.767 3.052 7.392 1.00 1.16 H new ATOM 0 HD12 LEU A 4 -19.389 2.199 5.876 1.00 1.16 H new ATOM 0 HD13 LEU A 4 -19.298 3.975 5.945 1.00 1.16 H new ATOM 0 HD21 LEU A 4 -21.861 4.326 7.615 1.00 1.46 H new ATOM 0 HD22 LEU A 4 -21.479 5.303 6.177 1.00 1.46 H new ATOM 0 HD23 LEU A 4 -23.014 4.406 6.262 1.00 1.46 H new ATOM 151 N SER A 5 -23.090 4.395 1.696 1.00 0.41 N ATOM 152 CA SER A 5 -23.027 4.513 0.254 1.00 0.42 C ATOM 153 C SER A 5 -21.652 5.042 -0.113 1.00 0.37 C ATOM 154 O SER A 5 -21.347 6.214 0.117 1.00 0.42 O ATOM 155 CB SER A 5 -24.131 5.439 -0.259 1.00 0.51 C ATOM 156 OG SER A 5 -25.410 4.968 0.139 1.00 1.28 O ATOM 0 H SER A 5 -23.359 5.254 2.175 1.00 0.41 H new ATOM 0 HA SER A 5 -23.183 3.540 -0.213 1.00 0.42 H new ATOM 0 HB2 SER A 5 -23.974 6.447 0.125 1.00 0.51 H new ATOM 0 HB3 SER A 5 -24.084 5.501 -1.346 1.00 0.51 H new ATOM 0 HG SER A 5 -25.622 5.312 1.032 1.00 1.28 H new ATOM 162 N LEU A 6 -20.809 4.169 -0.642 1.00 0.31 N ATOM 163 CA LEU A 6 -19.409 4.495 -0.828 1.00 0.28 C ATOM 164 C LEU A 6 -19.043 4.499 -2.302 1.00 0.28 C ATOM 165 O LEU A 6 -19.511 3.661 -3.077 1.00 0.31 O ATOM 166 CB LEU A 6 -18.529 3.487 -0.079 1.00 0.26 C ATOM 167 CG LEU A 6 -18.873 3.289 1.402 1.00 0.33 C ATOM 168 CD1 LEU A 6 -17.921 2.295 2.048 1.00 0.61 C ATOM 169 CD2 LEU A 6 -18.838 4.616 2.139 1.00 0.62 C ATOM 0 H LEU A 6 -21.072 3.232 -0.949 1.00 0.31 H new ATOM 0 HA LEU A 6 -19.238 5.494 -0.426 1.00 0.28 H new ATOM 0 HB2 LEU A 6 -18.600 2.523 -0.583 1.00 0.26 H new ATOM 0 HB3 LEU A 6 -17.491 3.810 -0.154 1.00 0.26 H new ATOM 0 HG LEU A 6 -19.883 2.885 1.466 1.00 0.33 H new ATOM 0 HD11 LEU A 6 -18.183 2.170 3.098 1.00 0.61 H new ATOM 0 HD12 LEU A 6 -17.997 1.335 1.538 1.00 0.61 H new ATOM 0 HD13 LEU A 6 -16.899 2.667 1.971 1.00 0.61 H new ATOM 0 HD21 LEU A 6 -19.085 4.456 3.189 1.00 0.62 H new ATOM 0 HD22 LEU A 6 -17.840 5.048 2.063 1.00 0.62 H new ATOM 0 HD23 LEU A 6 -19.564 5.298 1.696 1.00 0.62 H new ATOM 181 N LYS A 7 -18.214 5.452 -2.683 1.00 0.29 N ATOM 182 CA LYS A 7 -17.667 5.486 -4.024 1.00 0.31 C ATOM 183 C LYS A 7 -16.374 4.701 -4.070 1.00 0.29 C ATOM 184 O LYS A 7 -15.369 5.125 -3.514 1.00 0.31 O ATOM 185 CB LYS A 7 -17.398 6.916 -4.478 1.00 0.39 C ATOM 186 CG LYS A 7 -18.602 7.610 -5.076 1.00 0.52 C ATOM 187 CD LYS A 7 -18.214 8.960 -5.645 1.00 0.63 C ATOM 188 CE LYS A 7 -19.328 9.549 -6.486 1.00 0.94 C ATOM 189 NZ LYS A 7 -20.578 9.747 -5.704 1.00 1.72 N ATOM 0 H LYS A 7 -17.904 6.214 -2.080 1.00 0.29 H new ATOM 0 HA LYS A 7 -18.401 5.041 -4.695 1.00 0.31 H new ATOM 0 HB2 LYS A 7 -17.044 7.496 -3.626 1.00 0.39 H new ATOM 0 HB3 LYS A 7 -16.594 6.907 -5.214 1.00 0.39 H new ATOM 0 HG2 LYS A 7 -19.033 6.989 -5.861 1.00 0.52 H new ATOM 0 HG3 LYS A 7 -19.370 7.738 -4.313 1.00 0.52 H new ATOM 0 HD2 LYS A 7 -17.971 9.643 -4.831 1.00 0.63 H new ATOM 0 HD3 LYS A 7 -17.315 8.855 -6.252 1.00 0.63 H new ATOM 0 HE2 LYS A 7 -19.004 10.505 -6.898 1.00 0.94 H new ATOM 0 HE3 LYS A 7 -19.530 8.890 -7.331 1.00 0.94 H new ATOM 0 HZ1 LYS A 7 -21.267 10.274 -6.278 1.00 1.72 H new ATOM 0 HZ2 LYS A 7 -20.977 8.822 -5.447 1.00 1.72 H new ATOM 0 HZ3 LYS A 7 -20.365 10.284 -4.839 1.00 1.72 H new ATOM 203 N ILE A 8 -16.403 3.559 -4.716 1.00 0.28 N ATOM 204 CA ILE A 8 -15.212 2.755 -4.860 1.00 0.28 C ATOM 205 C ILE A 8 -14.531 3.090 -6.173 1.00 0.31 C ATOM 206 O ILE A 8 -15.028 2.765 -7.251 1.00 0.34 O ATOM 207 CB ILE A 8 -15.504 1.233 -4.787 1.00 0.33 C ATOM 208 CG1 ILE A 8 -15.659 0.766 -3.333 1.00 0.58 C ATOM 209 CG2 ILE A 8 -14.393 0.441 -5.464 1.00 0.32 C ATOM 210 CD1 ILE A 8 -16.826 1.382 -2.597 1.00 0.51 C ATOM 0 H ILE A 8 -17.238 3.166 -5.150 1.00 0.28 H new ATOM 0 HA ILE A 8 -14.555 2.992 -4.023 1.00 0.28 H new ATOM 0 HB ILE A 8 -16.443 1.053 -5.311 1.00 0.33 H new ATOM 0 HG12 ILE A 8 -15.771 -0.318 -3.323 1.00 0.58 H new ATOM 0 HG13 ILE A 8 -14.742 0.996 -2.791 1.00 0.58 H new ATOM 0 HG21 ILE A 8 -14.616 -0.624 -5.402 1.00 0.32 H new ATOM 0 HG22 ILE A 8 -14.321 0.737 -6.511 1.00 0.32 H new ATOM 0 HG23 ILE A 8 -13.446 0.643 -4.964 1.00 0.32 H new ATOM 0 HD11 ILE A 8 -16.859 0.995 -1.578 1.00 0.51 H new ATOM 0 HD12 ILE A 8 -16.708 2.465 -2.570 1.00 0.51 H new ATOM 0 HD13 ILE A 8 -17.754 1.130 -3.111 1.00 0.51 H new ATOM 222 N SER A 9 -13.407 3.760 -6.084 1.00 0.33 N ATOM 223 CA SER A 9 -12.641 4.085 -7.262 1.00 0.39 C ATOM 224 C SER A 9 -11.496 3.096 -7.375 1.00 0.37 C ATOM 225 O SER A 9 -10.840 2.788 -6.387 1.00 0.45 O ATOM 226 CB SER A 9 -12.132 5.527 -7.199 1.00 0.46 C ATOM 227 OG SER A 9 -13.206 6.447 -7.105 1.00 1.48 O ATOM 0 H SER A 9 -13.003 4.091 -5.208 1.00 0.33 H new ATOM 0 HA SER A 9 -13.270 4.011 -8.149 1.00 0.39 H new ATOM 0 HB2 SER A 9 -11.472 5.645 -6.339 1.00 0.46 H new ATOM 0 HB3 SER A 9 -11.540 5.745 -8.088 1.00 0.46 H new ATOM 0 HG SER A 9 -12.852 7.360 -7.065 1.00 1.48 H new ATOM 233 N ILE A 10 -11.291 2.570 -8.566 1.00 0.40 N ATOM 234 CA ILE A 10 -10.281 1.553 -8.786 1.00 0.42 C ATOM 235 C ILE A 10 -9.277 2.045 -9.813 1.00 0.50 C ATOM 236 O ILE A 10 -9.443 1.835 -11.018 1.00 0.53 O ATOM 237 CB ILE A 10 -10.911 0.224 -9.259 1.00 0.40 C ATOM 238 CG1 ILE A 10 -12.052 -0.181 -8.316 1.00 0.38 C ATOM 239 CG2 ILE A 10 -9.855 -0.873 -9.321 1.00 0.45 C ATOM 240 CD1 ILE A 10 -12.821 -1.403 -8.769 1.00 0.43 C ATOM 0 H ILE A 10 -11.814 2.832 -9.402 1.00 0.40 H new ATOM 0 HA ILE A 10 -9.776 1.365 -7.839 1.00 0.42 H new ATOM 0 HB ILE A 10 -11.318 0.365 -10.261 1.00 0.40 H new ATOM 0 HG12 ILE A 10 -11.640 -0.370 -7.325 1.00 0.38 H new ATOM 0 HG13 ILE A 10 -12.744 0.656 -8.219 1.00 0.38 H new ATOM 0 HG21 ILE A 10 -10.315 -1.803 -9.656 1.00 0.45 H new ATOM 0 HG22 ILE A 10 -9.071 -0.584 -10.020 1.00 0.45 H new ATOM 0 HG23 ILE A 10 -9.423 -1.018 -8.331 1.00 0.45 H new ATOM 0 HD11 ILE A 10 -13.610 -1.624 -8.050 1.00 0.43 H new ATOM 0 HD12 ILE A 10 -13.264 -1.212 -9.746 1.00 0.43 H new ATOM 0 HD13 ILE A 10 -12.144 -2.254 -8.838 1.00 0.43 H new ATOM 252 N GLY A 11 -8.264 2.752 -9.332 1.00 0.59 N ATOM 253 CA GLY A 11 -7.256 3.312 -10.214 1.00 0.68 C ATOM 254 C GLY A 11 -7.749 4.547 -10.945 1.00 0.75 C ATOM 255 O GLY A 11 -7.209 5.640 -10.770 1.00 0.96 O ATOM 0 H GLY A 11 -8.121 2.949 -8.342 1.00 0.59 H new ATOM 0 HA2 GLY A 11 -6.370 3.567 -9.633 1.00 0.68 H new ATOM 0 HA3 GLY A 11 -6.955 2.558 -10.942 1.00 0.68 H new ATOM 259 N ASN A 12 -8.776 4.370 -11.765 1.00 0.75 N ATOM 260 CA ASN A 12 -9.346 5.458 -12.548 1.00 0.90 C ATOM 261 C ASN A 12 -10.869 5.381 -12.542 1.00 0.84 C ATOM 262 O ASN A 12 -11.552 6.386 -12.348 1.00 1.09 O ATOM 263 CB ASN A 12 -8.807 5.413 -13.985 1.00 1.09 C ATOM 264 CG ASN A 12 -9.485 6.409 -14.912 1.00 1.77 C ATOM 265 OD1 ASN A 12 -9.101 7.578 -14.977 1.00 2.62 O ATOM 266 ND2 ASN A 12 -10.469 5.943 -15.667 1.00 2.17 N ATOM 0 H ASN A 12 -9.236 3.471 -11.906 1.00 0.75 H new ATOM 0 HA ASN A 12 -9.052 6.405 -12.096 1.00 0.90 H new ATOM 0 HB2 ASN A 12 -7.735 5.612 -13.970 1.00 1.09 H new ATOM 0 HB3 ASN A 12 -8.939 4.407 -14.384 1.00 1.09 H new ATOM 0 HD21 ASN A 12 -10.937 6.559 -16.332 1.00 2.17 H new ATOM 0 HD22 ASN A 12 -10.758 4.968 -15.584 1.00 2.17 H new ATOM 273 N VAL A 13 -11.396 4.177 -12.744 1.00 0.65 N ATOM 274 CA VAL A 13 -12.840 3.959 -12.738 1.00 0.61 C ATOM 275 C VAL A 13 -13.398 4.133 -11.321 1.00 0.53 C ATOM 276 O VAL A 13 -12.670 3.984 -10.344 1.00 0.50 O ATOM 277 CB VAL A 13 -13.191 2.547 -13.276 1.00 0.61 C ATOM 278 CG1 VAL A 13 -12.740 1.460 -12.309 1.00 0.55 C ATOM 279 CG2 VAL A 13 -14.680 2.421 -13.570 1.00 0.65 C ATOM 0 H VAL A 13 -10.844 3.336 -12.914 1.00 0.65 H new ATOM 0 HA VAL A 13 -13.296 4.700 -13.394 1.00 0.61 H new ATOM 0 HB VAL A 13 -12.650 2.412 -14.213 1.00 0.61 H new ATOM 0 HG11 VAL A 13 -13.000 0.482 -12.714 1.00 0.55 H new ATOM 0 HG12 VAL A 13 -11.660 1.520 -12.171 1.00 0.55 H new ATOM 0 HG13 VAL A 13 -13.236 1.599 -11.349 1.00 0.55 H new ATOM 0 HG21 VAL A 13 -14.893 1.420 -13.945 1.00 0.65 H new ATOM 0 HG22 VAL A 13 -15.247 2.594 -12.656 1.00 0.65 H new ATOM 0 HG23 VAL A 13 -14.966 3.158 -14.320 1.00 0.65 H new ATOM 289 N VAL A 14 -14.679 4.456 -11.213 1.00 0.51 N ATOM 290 CA VAL A 14 -15.325 4.595 -9.912 1.00 0.46 C ATOM 291 C VAL A 14 -16.724 3.986 -9.936 1.00 0.41 C ATOM 292 O VAL A 14 -17.544 4.292 -10.806 1.00 0.45 O ATOM 293 CB VAL A 14 -15.371 6.071 -9.431 1.00 0.53 C ATOM 294 CG1 VAL A 14 -15.824 7.001 -10.537 1.00 0.62 C ATOM 295 CG2 VAL A 14 -16.265 6.228 -8.204 1.00 0.50 C ATOM 0 H VAL A 14 -15.293 4.627 -12.009 1.00 0.51 H new ATOM 0 HA VAL A 14 -14.718 4.046 -9.192 1.00 0.46 H new ATOM 0 HB VAL A 14 -14.355 6.348 -9.150 1.00 0.53 H new ATOM 0 HG11 VAL A 14 -15.845 8.025 -10.165 1.00 0.62 H new ATOM 0 HG12 VAL A 14 -15.131 6.933 -11.376 1.00 0.62 H new ATOM 0 HG13 VAL A 14 -16.823 6.715 -10.867 1.00 0.62 H new ATOM 0 HG21 VAL A 14 -16.275 7.273 -7.893 1.00 0.50 H new ATOM 0 HG22 VAL A 14 -17.279 5.912 -8.450 1.00 0.50 H new ATOM 0 HG23 VAL A 14 -15.880 5.611 -7.392 1.00 0.50 H new ATOM 305 N LYS A 15 -16.965 3.096 -8.988 1.00 0.39 N ATOM 306 CA LYS A 15 -18.222 2.380 -8.872 1.00 0.41 C ATOM 307 C LYS A 15 -18.885 2.730 -7.548 1.00 0.35 C ATOM 308 O LYS A 15 -18.206 2.958 -6.552 1.00 0.31 O ATOM 309 CB LYS A 15 -17.980 0.870 -8.937 1.00 0.50 C ATOM 310 CG LYS A 15 -17.376 0.382 -10.245 1.00 0.67 C ATOM 311 CD LYS A 15 -18.378 0.431 -11.387 1.00 0.80 C ATOM 312 CE LYS A 15 -17.810 -0.205 -12.646 1.00 1.02 C ATOM 313 NZ LYS A 15 -18.798 -0.222 -13.758 1.00 1.28 N ATOM 0 H LYS A 15 -16.285 2.848 -8.270 1.00 0.39 H new ATOM 0 HA LYS A 15 -18.872 2.670 -9.698 1.00 0.41 H new ATOM 0 HB2 LYS A 15 -17.319 0.585 -8.118 1.00 0.50 H new ATOM 0 HB3 LYS A 15 -18.927 0.356 -8.775 1.00 0.50 H new ATOM 0 HG2 LYS A 15 -16.510 0.995 -10.496 1.00 0.67 H new ATOM 0 HG3 LYS A 15 -17.018 -0.640 -10.120 1.00 0.67 H new ATOM 0 HD2 LYS A 15 -19.291 -0.087 -11.095 1.00 0.80 H new ATOM 0 HD3 LYS A 15 -18.650 1.467 -11.591 1.00 0.80 H new ATOM 0 HE2 LYS A 15 -16.921 0.343 -12.959 1.00 1.02 H new ATOM 0 HE3 LYS A 15 -17.495 -1.225 -12.426 1.00 1.02 H new ATOM 0 HZ1 LYS A 15 -18.370 -0.664 -14.596 1.00 1.28 H new ATOM 0 HZ2 LYS A 15 -19.636 -0.767 -13.470 1.00 1.28 H new ATOM 0 HZ3 LYS A 15 -19.080 0.753 -13.986 1.00 1.28 H new ATOM 327 N THR A 16 -20.198 2.776 -7.535 1.00 0.38 N ATOM 328 CA THR A 16 -20.927 3.111 -6.325 1.00 0.37 C ATOM 329 C THR A 16 -21.453 1.844 -5.657 1.00 0.35 C ATOM 330 O THR A 16 -22.252 1.110 -6.245 1.00 0.39 O ATOM 331 CB THR A 16 -22.100 4.063 -6.628 1.00 0.45 C ATOM 332 OG1 THR A 16 -21.621 5.204 -7.352 1.00 0.50 O ATOM 333 CG2 THR A 16 -22.770 4.522 -5.343 1.00 0.45 C ATOM 0 H THR A 16 -20.786 2.586 -8.347 1.00 0.38 H new ATOM 0 HA THR A 16 -20.238 3.617 -5.649 1.00 0.37 H new ATOM 0 HB THR A 16 -22.833 3.526 -7.229 1.00 0.45 H new ATOM 0 HG1 THR A 16 -22.369 5.807 -7.545 1.00 0.50 H new ATOM 0 HG21 THR A 16 -23.595 5.193 -5.582 1.00 0.45 H new ATOM 0 HG22 THR A 16 -23.152 3.656 -4.802 1.00 0.45 H new ATOM 0 HG23 THR A 16 -22.044 5.047 -4.722 1.00 0.45 H new ATOM 341 N MET A 17 -20.995 1.577 -4.440 1.00 0.31 N ATOM 342 CA MET A 17 -21.406 0.385 -3.710 1.00 0.32 C ATOM 343 C MET A 17 -21.781 0.739 -2.284 1.00 0.32 C ATOM 344 O MET A 17 -21.267 1.703 -1.722 1.00 0.31 O ATOM 345 CB MET A 17 -20.312 -0.682 -3.693 1.00 0.34 C ATOM 346 CG MET A 17 -20.291 -1.566 -4.925 1.00 0.44 C ATOM 347 SD MET A 17 -19.333 -3.073 -4.664 1.00 1.04 S ATOM 348 CE MET A 17 -20.202 -3.776 -3.264 1.00 0.40 C ATOM 0 H MET A 17 -20.337 2.172 -3.937 1.00 0.31 H new ATOM 0 HA MET A 17 -22.273 -0.023 -4.230 1.00 0.32 H new ATOM 0 HB2 MET A 17 -19.343 -0.192 -3.594 1.00 0.34 H new ATOM 0 HB3 MET A 17 -20.444 -1.309 -2.811 1.00 0.34 H new ATOM 0 HG2 MET A 17 -21.313 -1.829 -5.199 1.00 0.44 H new ATOM 0 HG3 MET A 17 -19.870 -1.010 -5.762 1.00 0.44 H new ATOM 0 HE1 MET A 17 -19.689 -4.679 -2.933 1.00 0.40 H new ATOM 0 HE2 MET A 17 -20.225 -3.052 -2.449 1.00 0.40 H new ATOM 0 HE3 MET A 17 -21.222 -4.025 -3.557 1.00 0.40 H new ATOM 358 N GLN A 18 -22.686 -0.028 -1.709 1.00 0.36 N ATOM 359 CA GLN A 18 -23.046 0.141 -0.314 1.00 0.37 C ATOM 360 C GLN A 18 -22.563 -1.036 0.509 1.00 0.35 C ATOM 361 O GLN A 18 -22.540 -2.170 0.028 1.00 0.38 O ATOM 362 CB GLN A 18 -24.553 0.306 -0.175 1.00 0.44 C ATOM 363 CG GLN A 18 -25.029 1.659 -0.654 1.00 0.49 C ATOM 364 CD GLN A 18 -26.443 1.633 -1.188 1.00 0.59 C ATOM 365 OE1 GLN A 18 -27.289 0.866 -0.732 1.00 0.92 O ATOM 366 NE2 GLN A 18 -26.700 2.458 -2.187 1.00 0.60 N ATOM 0 H GLN A 18 -23.187 -0.777 -2.187 1.00 0.36 H new ATOM 0 HA GLN A 18 -22.561 1.042 0.062 1.00 0.37 H new ATOM 0 HB2 GLN A 18 -25.056 -0.476 -0.744 1.00 0.44 H new ATOM 0 HB3 GLN A 18 -24.836 0.172 0.869 1.00 0.44 H new ATOM 0 HG2 GLN A 18 -24.971 2.371 0.169 1.00 0.49 H new ATOM 0 HG3 GLN A 18 -24.358 2.019 -1.434 1.00 0.49 H new ATOM 0 HE21 GLN A 18 -25.970 3.079 -2.536 1.00 0.60 H new ATOM 0 HE22 GLN A 18 -27.628 2.474 -2.609 1.00 0.60 H new ATOM 375 N PHE A 19 -22.174 -0.768 1.743 1.00 0.34 N ATOM 376 CA PHE A 19 -21.694 -1.797 2.645 1.00 0.33 C ATOM 377 C PHE A 19 -22.280 -1.525 4.016 1.00 0.37 C ATOM 378 O PHE A 19 -22.629 -0.387 4.321 1.00 0.40 O ATOM 379 CB PHE A 19 -20.164 -1.781 2.761 1.00 0.29 C ATOM 380 CG PHE A 19 -19.424 -1.930 1.465 1.00 0.27 C ATOM 381 CD1 PHE A 19 -19.192 -3.185 0.932 1.00 0.33 C ATOM 382 CD2 PHE A 19 -18.979 -0.819 0.771 1.00 0.30 C ATOM 383 CE1 PHE A 19 -18.527 -3.331 -0.267 1.00 0.36 C ATOM 384 CE2 PHE A 19 -18.314 -0.957 -0.430 1.00 0.31 C ATOM 385 CZ PHE A 19 -18.022 -2.196 -0.917 1.00 0.31 C ATOM 0 H PHE A 19 -22.182 0.169 2.147 1.00 0.34 H new ATOM 0 HA PHE A 19 -21.996 -2.770 2.258 1.00 0.33 H new ATOM 0 HB2 PHE A 19 -19.861 -0.844 3.228 1.00 0.29 H new ATOM 0 HB3 PHE A 19 -19.858 -2.585 3.430 1.00 0.29 H new ATOM 0 HD1 PHE A 19 -19.536 -4.061 1.461 1.00 0.33 H new ATOM 0 HD2 PHE A 19 -19.154 0.168 1.174 1.00 0.30 H new ATOM 0 HE1 PHE A 19 -18.396 -4.311 -0.702 1.00 0.36 H new ATOM 0 HE2 PHE A 19 -18.023 -0.079 -0.987 1.00 0.31 H new ATOM 0 HZ PHE A 19 -17.406 -2.303 -1.798 1.00 0.31 H new ATOM 395 N GLU A 20 -22.373 -2.541 4.844 1.00 0.39 N ATOM 396 CA GLU A 20 -22.858 -2.349 6.197 1.00 0.43 C ATOM 397 C GLU A 20 -21.745 -1.765 7.056 1.00 0.44 C ATOM 398 O GLU A 20 -20.562 -2.006 6.802 1.00 0.47 O ATOM 399 CB GLU A 20 -23.339 -3.668 6.809 1.00 0.50 C ATOM 400 CG GLU A 20 -24.485 -4.320 6.060 1.00 0.61 C ATOM 401 CD GLU A 20 -24.924 -5.609 6.716 1.00 0.90 C ATOM 402 OE1 GLU A 20 -24.246 -6.641 6.527 1.00 1.06 O ATOM 403 OE2 GLU A 20 -25.955 -5.601 7.419 1.00 1.42 O ATOM 0 H GLU A 20 -22.122 -3.502 4.610 1.00 0.39 H new ATOM 0 HA GLU A 20 -23.704 -1.662 6.162 1.00 0.43 H new ATOM 0 HB2 GLU A 20 -22.502 -4.365 6.847 1.00 0.50 H new ATOM 0 HB3 GLU A 20 -23.649 -3.486 7.838 1.00 0.50 H new ATOM 0 HG2 GLU A 20 -25.328 -3.630 6.014 1.00 0.61 H new ATOM 0 HG3 GLU A 20 -24.180 -4.520 5.033 1.00 0.61 H new ATOM 410 N PRO A 21 -22.106 -0.985 8.079 1.00 0.50 N ATOM 411 CA PRO A 21 -21.151 -0.437 9.038 1.00 0.53 C ATOM 412 C PRO A 21 -20.293 -1.543 9.650 1.00 0.53 C ATOM 413 O PRO A 21 -19.106 -1.356 9.919 1.00 0.65 O ATOM 414 CB PRO A 21 -22.047 0.228 10.103 1.00 0.57 C ATOM 415 CG PRO A 21 -23.426 -0.278 9.838 1.00 0.61 C ATOM 416 CD PRO A 21 -23.473 -0.565 8.375 1.00 0.62 C ATOM 0 HA PRO A 21 -20.448 0.261 8.584 1.00 0.53 H new ATOM 0 HB2 PRO A 21 -21.720 -0.033 11.109 1.00 0.57 H new ATOM 0 HB3 PRO A 21 -22.006 1.315 10.027 1.00 0.57 H new ATOM 0 HG2 PRO A 21 -23.633 -1.176 10.421 1.00 0.61 H new ATOM 0 HG3 PRO A 21 -24.176 0.463 10.117 1.00 0.61 H new ATOM 0 HD2 PRO A 21 -24.195 -1.347 8.140 1.00 0.62 H new ATOM 0 HD3 PRO A 21 -23.758 0.316 7.800 1.00 0.62 H new ATOM 424 N SER A 22 -20.898 -2.711 9.816 1.00 0.50 N ATOM 425 CA SER A 22 -20.234 -3.843 10.435 1.00 0.61 C ATOM 426 C SER A 22 -19.704 -4.838 9.398 1.00 0.84 C ATOM 427 O SER A 22 -19.200 -5.899 9.766 1.00 1.64 O ATOM 428 CB SER A 22 -21.216 -4.540 11.376 1.00 0.68 C ATOM 429 OG SER A 22 -22.459 -4.763 10.727 1.00 1.32 O ATOM 0 H SER A 22 -21.858 -2.897 9.526 1.00 0.50 H new ATOM 0 HA SER A 22 -19.374 -3.472 10.992 1.00 0.61 H new ATOM 0 HB2 SER A 22 -20.798 -5.490 11.708 1.00 0.68 H new ATOM 0 HB3 SER A 22 -21.369 -3.931 12.267 1.00 0.68 H new ATOM 0 HG SER A 22 -23.074 -5.211 11.344 1.00 1.32 H new ATOM 435 N THR A 23 -19.810 -4.496 8.110 1.00 0.41 N ATOM 436 CA THR A 23 -19.352 -5.382 7.039 1.00 0.49 C ATOM 437 C THR A 23 -17.896 -5.791 7.242 1.00 0.63 C ATOM 438 O THR A 23 -17.571 -6.978 7.189 1.00 1.47 O ATOM 439 CB THR A 23 -19.522 -4.721 5.651 1.00 0.51 C ATOM 440 OG1 THR A 23 -20.900 -4.708 5.281 1.00 0.68 O ATOM 441 CG2 THR A 23 -18.724 -5.440 4.579 1.00 0.50 C ATOM 0 H THR A 23 -20.208 -3.614 7.786 1.00 0.41 H new ATOM 0 HA THR A 23 -19.974 -6.277 7.077 1.00 0.49 H new ATOM 0 HB THR A 23 -19.145 -3.701 5.729 1.00 0.51 H new ATOM 0 HG1 THR A 23 -20.999 -5.067 4.374 1.00 0.68 H new ATOM 0 HG21 THR A 23 -18.872 -4.943 3.620 1.00 0.50 H new ATOM 0 HG22 THR A 23 -17.666 -5.420 4.838 1.00 0.50 H new ATOM 0 HG23 THR A 23 -19.060 -6.474 4.507 1.00 0.50 H new ATOM 449 N MET A 24 -17.040 -4.801 7.497 1.00 0.54 N ATOM 450 CA MET A 24 -15.613 -5.030 7.729 1.00 0.48 C ATOM 451 C MET A 24 -14.893 -5.330 6.412 1.00 0.43 C ATOM 452 O MET A 24 -15.468 -5.910 5.490 1.00 0.47 O ATOM 453 CB MET A 24 -15.412 -6.162 8.746 1.00 0.60 C ATOM 454 CG MET A 24 -14.192 -6.022 9.624 1.00 0.57 C ATOM 455 SD MET A 24 -14.288 -7.104 11.058 1.00 0.83 S ATOM 456 CE MET A 24 -13.008 -6.407 12.087 1.00 0.71 C ATOM 0 H MET A 24 -17.315 -3.820 7.549 1.00 0.54 H new ATOM 0 HA MET A 24 -15.177 -4.122 8.145 1.00 0.48 H new ATOM 0 HB2 MET A 24 -16.295 -6.219 9.383 1.00 0.60 H new ATOM 0 HB3 MET A 24 -15.347 -7.107 8.207 1.00 0.60 H new ATOM 0 HG2 MET A 24 -13.298 -6.258 9.047 1.00 0.57 H new ATOM 0 HG3 MET A 24 -14.095 -4.987 9.953 1.00 0.57 H new ATOM 0 HE1 MET A 24 -12.906 -7.002 12.994 1.00 0.71 H new ATOM 0 HE2 MET A 24 -12.063 -6.409 11.544 1.00 0.71 H new ATOM 0 HE3 MET A 24 -13.272 -5.383 12.352 1.00 0.71 H new ATOM 466 N VAL A 25 -13.643 -4.887 6.338 1.00 0.40 N ATOM 467 CA VAL A 25 -12.823 -4.985 5.124 1.00 0.38 C ATOM 468 C VAL A 25 -12.955 -6.328 4.393 1.00 0.39 C ATOM 469 O VAL A 25 -13.232 -6.351 3.194 1.00 0.39 O ATOM 470 CB VAL A 25 -11.342 -4.717 5.440 1.00 0.41 C ATOM 471 CG1 VAL A 25 -10.458 -4.989 4.229 1.00 0.42 C ATOM 472 CG2 VAL A 25 -11.180 -3.284 5.901 1.00 0.40 C ATOM 0 H VAL A 25 -13.162 -4.446 7.121 1.00 0.40 H new ATOM 0 HA VAL A 25 -13.208 -4.218 4.452 1.00 0.38 H new ATOM 0 HB VAL A 25 -11.027 -5.394 6.234 1.00 0.41 H new ATOM 0 HG11 VAL A 25 -9.418 -4.790 4.486 1.00 0.42 H new ATOM 0 HG12 VAL A 25 -10.564 -6.031 3.928 1.00 0.42 H new ATOM 0 HG13 VAL A 25 -10.759 -4.341 3.406 1.00 0.42 H new ATOM 0 HG21 VAL A 25 -10.131 -3.091 6.126 1.00 0.40 H new ATOM 0 HG22 VAL A 25 -11.513 -2.608 5.113 1.00 0.40 H new ATOM 0 HG23 VAL A 25 -11.779 -3.120 6.797 1.00 0.40 H new ATOM 482 N TYR A 26 -12.768 -7.435 5.108 1.00 0.42 N ATOM 483 CA TYR A 26 -12.778 -8.753 4.468 1.00 0.45 C ATOM 484 C TYR A 26 -14.110 -9.053 3.770 1.00 0.43 C ATOM 485 O TYR A 26 -14.128 -9.669 2.704 1.00 0.42 O ATOM 486 CB TYR A 26 -12.405 -9.872 5.454 1.00 0.52 C ATOM 487 CG TYR A 26 -13.208 -9.913 6.738 1.00 0.56 C ATOM 488 CD1 TYR A 26 -14.511 -10.389 6.741 1.00 0.70 C ATOM 489 CD2 TYR A 26 -12.676 -9.452 7.937 1.00 0.58 C ATOM 490 CE1 TYR A 26 -15.261 -10.406 7.898 1.00 0.78 C ATOM 491 CE2 TYR A 26 -13.420 -9.471 9.101 1.00 0.65 C ATOM 492 CZ TYR A 26 -14.647 -10.028 9.114 1.00 0.72 C ATOM 493 OH TYR A 26 -15.462 -9.966 10.230 1.00 0.83 O ATOM 0 H TYR A 26 -12.610 -7.450 6.116 1.00 0.42 H new ATOM 0 HA TYR A 26 -12.010 -8.723 3.695 1.00 0.45 H new ATOM 0 HB2 TYR A 26 -12.517 -10.830 4.947 1.00 0.52 H new ATOM 0 HB3 TYR A 26 -11.351 -9.768 5.710 1.00 0.52 H new ATOM 0 HD1 TYR A 26 -14.945 -10.752 5.821 1.00 0.70 H new ATOM 0 HD2 TYR A 26 -11.665 -9.073 7.959 1.00 0.58 H new ATOM 0 HE1 TYR A 26 -16.299 -10.703 7.876 1.00 0.78 H new ATOM 0 HE2 TYR A 26 -13.017 -9.038 10.004 1.00 0.65 H new ATOM 0 HH TYR A 26 -15.309 -9.120 10.700 1.00 0.83 H new ATOM 503 N ASP A 27 -15.217 -8.602 4.347 1.00 0.43 N ATOM 504 CA ASP A 27 -16.523 -8.816 3.728 1.00 0.44 C ATOM 505 C ASP A 27 -16.736 -7.841 2.582 1.00 0.39 C ATOM 506 O ASP A 27 -17.328 -8.187 1.564 1.00 0.40 O ATOM 507 CB ASP A 27 -17.665 -8.704 4.739 1.00 0.50 C ATOM 508 CG ASP A 27 -17.943 -10.007 5.461 1.00 0.91 C ATOM 509 OD1 ASP A 27 -17.328 -11.036 5.101 1.00 1.24 O ATOM 510 OD2 ASP A 27 -18.766 -10.013 6.398 1.00 1.48 O ATOM 0 H ASP A 27 -15.240 -8.092 5.230 1.00 0.43 H new ATOM 0 HA ASP A 27 -16.531 -9.834 3.337 1.00 0.44 H new ATOM 0 HB2 ASP A 27 -17.421 -7.934 5.471 1.00 0.50 H new ATOM 0 HB3 ASP A 27 -18.569 -8.380 4.224 1.00 0.50 H new ATOM 515 N ALA A 28 -16.266 -6.616 2.745 1.00 0.37 N ATOM 516 CA ALA A 28 -16.327 -5.640 1.668 1.00 0.33 C ATOM 517 C ALA A 28 -15.597 -6.167 0.435 1.00 0.32 C ATOM 518 O ALA A 28 -16.140 -6.162 -0.669 1.00 0.31 O ATOM 519 CB ALA A 28 -15.735 -4.313 2.119 1.00 0.33 C ATOM 0 H ALA A 28 -15.840 -6.274 3.607 1.00 0.37 H new ATOM 0 HA ALA A 28 -17.372 -5.475 1.405 1.00 0.33 H new ATOM 0 HB1 ALA A 28 -15.788 -3.594 1.301 1.00 0.33 H new ATOM 0 HB2 ALA A 28 -16.298 -3.935 2.972 1.00 0.33 H new ATOM 0 HB3 ALA A 28 -14.694 -4.458 2.407 1.00 0.33 H new ATOM 525 N CYS A 29 -14.379 -6.649 0.653 1.00 0.35 N ATOM 526 CA CYS A 29 -13.542 -7.182 -0.414 1.00 0.37 C ATOM 527 C CYS A 29 -14.218 -8.345 -1.149 1.00 0.38 C ATOM 528 O CYS A 29 -14.153 -8.425 -2.375 1.00 0.40 O ATOM 529 CB CYS A 29 -12.195 -7.633 0.159 1.00 0.45 C ATOM 530 SG CYS A 29 -10.984 -8.142 -1.085 1.00 1.37 S ATOM 0 H CYS A 29 -13.944 -6.681 1.575 1.00 0.35 H new ATOM 0 HA CYS A 29 -13.384 -6.385 -1.141 1.00 0.37 H new ATOM 0 HB2 CYS A 29 -11.773 -6.818 0.746 1.00 0.45 H new ATOM 0 HB3 CYS A 29 -12.365 -8.464 0.843 1.00 0.45 H new ATOM 0 HG CYS A 29 -9.882 -8.502 -0.496 1.00 1.37 H new ATOM 536 N ARG A 30 -14.893 -9.228 -0.416 1.00 0.40 N ATOM 537 CA ARG A 30 -15.481 -10.413 -1.035 1.00 0.44 C ATOM 538 C ARG A 30 -16.645 -10.031 -1.939 1.00 0.42 C ATOM 539 O ARG A 30 -16.831 -10.611 -3.012 1.00 0.45 O ATOM 540 CB ARG A 30 -15.941 -11.438 0.013 1.00 0.49 C ATOM 541 CG ARG A 30 -16.995 -10.924 0.981 1.00 0.53 C ATOM 542 CD ARG A 30 -17.628 -12.053 1.776 1.00 0.71 C ATOM 543 NE ARG A 30 -16.769 -12.503 2.870 1.00 1.12 N ATOM 544 CZ ARG A 30 -16.370 -13.761 3.045 1.00 1.68 C ATOM 545 NH1 ARG A 30 -16.711 -14.703 2.173 1.00 1.94 N ATOM 546 NH2 ARG A 30 -15.622 -14.074 4.099 1.00 2.41 N ATOM 0 H ARG A 30 -15.045 -9.148 0.590 1.00 0.40 H new ATOM 0 HA ARG A 30 -14.702 -10.879 -1.638 1.00 0.44 H new ATOM 0 HB2 ARG A 30 -16.336 -12.313 -0.503 1.00 0.49 H new ATOM 0 HB3 ARG A 30 -15.073 -11.769 0.583 1.00 0.49 H new ATOM 0 HG2 ARG A 30 -16.541 -10.207 1.665 1.00 0.53 H new ATOM 0 HG3 ARG A 30 -17.768 -10.391 0.427 1.00 0.53 H new ATOM 0 HD2 ARG A 30 -18.584 -11.720 2.180 1.00 0.71 H new ATOM 0 HD3 ARG A 30 -17.837 -12.891 1.111 1.00 0.71 H new ATOM 0 HE ARG A 30 -16.454 -11.806 3.545 1.00 1.12 H new ATOM 0 HH11 ARG A 30 -17.282 -14.465 1.362 1.00 1.94 H new ATOM 0 HH12 ARG A 30 -16.401 -15.665 2.314 1.00 1.94 H new ATOM 0 HH21 ARG A 30 -15.357 -13.352 4.769 1.00 2.41 H new ATOM 0 HH22 ARG A 30 -15.314 -15.036 4.238 1.00 2.41 H new ATOM 560 N MET A 31 -17.416 -9.046 -1.509 1.00 0.39 N ATOM 561 CA MET A 31 -18.582 -8.613 -2.250 1.00 0.40 C ATOM 562 C MET A 31 -18.212 -7.734 -3.433 1.00 0.38 C ATOM 563 O MET A 31 -18.778 -7.884 -4.512 1.00 0.44 O ATOM 564 CB MET A 31 -19.530 -7.870 -1.325 1.00 0.39 C ATOM 565 CG MET A 31 -20.000 -8.721 -0.164 1.00 0.43 C ATOM 566 SD MET A 31 -21.101 -7.828 0.937 1.00 0.45 S ATOM 567 CE MET A 31 -19.982 -6.541 1.470 1.00 0.39 C ATOM 0 H MET A 31 -17.251 -8.530 -0.645 1.00 0.39 H new ATOM 0 HA MET A 31 -19.073 -9.502 -2.646 1.00 0.40 H new ATOM 0 HB2 MET A 31 -19.032 -6.980 -0.940 1.00 0.39 H new ATOM 0 HB3 MET A 31 -20.395 -7.530 -1.895 1.00 0.39 H new ATOM 0 HG2 MET A 31 -20.512 -9.604 -0.548 1.00 0.43 H new ATOM 0 HG3 MET A 31 -19.135 -9.073 0.398 1.00 0.43 H new ATOM 0 HE1 MET A 31 -20.550 -5.732 1.929 1.00 0.39 H new ATOM 0 HE2 MET A 31 -19.279 -6.948 2.196 1.00 0.39 H new ATOM 0 HE3 MET A 31 -19.433 -6.157 0.610 1.00 0.39 H new ATOM 577 N ILE A 32 -17.269 -6.824 -3.241 1.00 0.34 N ATOM 578 CA ILE A 32 -16.889 -5.904 -4.305 1.00 0.33 C ATOM 579 C ILE A 32 -16.297 -6.662 -5.497 1.00 0.36 C ATOM 580 O ILE A 32 -16.647 -6.395 -6.646 1.00 0.40 O ATOM 581 CB ILE A 32 -15.902 -4.822 -3.806 1.00 0.30 C ATOM 582 CG1 ILE A 32 -15.582 -3.844 -4.934 1.00 0.40 C ATOM 583 CG2 ILE A 32 -14.624 -5.444 -3.263 1.00 0.30 C ATOM 584 CD1 ILE A 32 -14.573 -2.791 -4.551 1.00 0.48 C ATOM 0 H ILE A 32 -16.756 -6.702 -2.368 1.00 0.34 H new ATOM 0 HA ILE A 32 -17.797 -5.396 -4.631 1.00 0.33 H new ATOM 0 HB ILE A 32 -16.379 -4.280 -2.989 1.00 0.30 H new ATOM 0 HG12 ILE A 32 -15.205 -4.402 -5.791 1.00 0.40 H new ATOM 0 HG13 ILE A 32 -16.503 -3.355 -5.252 1.00 0.40 H new ATOM 0 HG21 ILE A 32 -13.953 -4.656 -2.921 1.00 0.30 H new ATOM 0 HG22 ILE A 32 -14.866 -6.102 -2.429 1.00 0.30 H new ATOM 0 HG23 ILE A 32 -14.137 -6.020 -4.050 1.00 0.30 H new ATOM 0 HD11 ILE A 32 -14.395 -2.132 -5.401 1.00 0.48 H new ATOM 0 HD12 ILE A 32 -14.956 -2.208 -3.713 1.00 0.48 H new ATOM 0 HD13 ILE A 32 -13.638 -3.271 -4.262 1.00 0.48 H new ATOM 596 N ARG A 33 -15.431 -7.629 -5.210 1.00 0.36 N ATOM 597 CA ARG A 33 -14.845 -8.482 -6.243 1.00 0.41 C ATOM 598 C ARG A 33 -15.924 -9.278 -6.971 1.00 0.45 C ATOM 599 O ARG A 33 -15.764 -9.652 -8.133 1.00 0.49 O ATOM 600 CB ARG A 33 -13.812 -9.435 -5.634 1.00 0.45 C ATOM 601 CG ARG A 33 -12.611 -8.726 -5.027 1.00 1.01 C ATOM 602 CD ARG A 33 -11.549 -9.710 -4.556 1.00 0.94 C ATOM 603 NE ARG A 33 -12.079 -10.697 -3.617 1.00 0.64 N ATOM 604 CZ ARG A 33 -11.358 -11.297 -2.668 1.00 0.84 C ATOM 605 NH1 ARG A 33 -10.082 -10.977 -2.486 1.00 1.32 N ATOM 606 NH2 ARG A 33 -11.920 -12.217 -1.898 1.00 1.22 N ATOM 0 H ARG A 33 -15.117 -7.844 -4.264 1.00 0.36 H new ATOM 0 HA ARG A 33 -14.346 -7.836 -6.965 1.00 0.41 H new ATOM 0 HB2 ARG A 33 -14.295 -10.037 -4.864 1.00 0.45 H new ATOM 0 HB3 ARG A 33 -13.465 -10.123 -6.406 1.00 0.45 H new ATOM 0 HG2 ARG A 33 -12.178 -8.050 -5.764 1.00 1.01 H new ATOM 0 HG3 ARG A 33 -12.937 -8.114 -4.186 1.00 1.01 H new ATOM 0 HD2 ARG A 33 -11.126 -10.224 -5.419 1.00 0.94 H new ATOM 0 HD3 ARG A 33 -10.735 -9.162 -4.081 1.00 0.94 H new ATOM 0 HE ARG A 33 -13.066 -10.944 -3.692 1.00 0.64 H new ATOM 0 HH11 ARG A 33 -9.645 -10.267 -3.074 1.00 1.32 H new ATOM 0 HH12 ARG A 33 -9.539 -11.441 -1.758 1.00 1.32 H new ATOM 0 HH21 ARG A 33 -12.900 -12.464 -2.032 1.00 1.22 H new ATOM 0 HH22 ARG A 33 -11.372 -12.678 -1.171 1.00 1.22 H new ATOM 620 N GLU A 34 -17.021 -9.532 -6.270 1.00 0.46 N ATOM 621 CA GLU A 34 -18.094 -10.359 -6.798 1.00 0.51 C ATOM 622 C GLU A 34 -18.795 -9.671 -7.974 1.00 0.50 C ATOM 623 O GLU A 34 -18.811 -10.192 -9.090 1.00 0.54 O ATOM 624 CB GLU A 34 -19.107 -10.666 -5.692 1.00 0.55 C ATOM 625 CG GLU A 34 -20.120 -11.734 -6.065 1.00 0.90 C ATOM 626 CD GLU A 34 -19.484 -13.098 -6.226 1.00 1.51 C ATOM 627 OE1 GLU A 34 -19.018 -13.412 -7.342 1.00 2.40 O ATOM 628 OE2 GLU A 34 -19.455 -13.866 -5.246 1.00 1.50 O ATOM 0 H GLU A 34 -17.190 -9.174 -5.330 1.00 0.46 H new ATOM 0 HA GLU A 34 -17.659 -11.291 -7.161 1.00 0.51 H new ATOM 0 HB2 GLU A 34 -18.570 -10.985 -4.799 1.00 0.55 H new ATOM 0 HB3 GLU A 34 -19.638 -9.750 -5.434 1.00 0.55 H new ATOM 0 HG2 GLU A 34 -20.892 -11.784 -5.297 1.00 0.90 H new ATOM 0 HG3 GLU A 34 -20.614 -11.454 -6.995 1.00 0.90 H new ATOM 635 N ARG A 35 -19.370 -8.497 -7.727 1.00 0.51 N ATOM 636 CA ARG A 35 -20.100 -7.783 -8.774 1.00 0.55 C ATOM 637 C ARG A 35 -19.182 -6.967 -9.681 1.00 0.49 C ATOM 638 O ARG A 35 -19.440 -6.854 -10.878 1.00 0.54 O ATOM 639 CB ARG A 35 -21.202 -6.879 -8.195 1.00 0.72 C ATOM 640 CG ARG A 35 -20.735 -5.913 -7.121 1.00 0.77 C ATOM 641 CD ARG A 35 -21.016 -6.456 -5.733 1.00 0.79 C ATOM 642 NE ARG A 35 -22.445 -6.645 -5.492 1.00 1.02 N ATOM 643 CZ ARG A 35 -22.947 -7.379 -4.500 1.00 1.46 C ATOM 644 NH1 ARG A 35 -22.141 -8.032 -3.673 1.00 1.79 N ATOM 645 NH2 ARG A 35 -24.261 -7.464 -4.343 1.00 1.90 N ATOM 0 H ARG A 35 -19.347 -8.024 -6.824 1.00 0.51 H new ATOM 0 HA ARG A 35 -20.569 -8.557 -9.382 1.00 0.55 H new ATOM 0 HB2 ARG A 35 -21.648 -6.307 -9.009 1.00 0.72 H new ATOM 0 HB3 ARG A 35 -21.988 -7.509 -7.780 1.00 0.72 H new ATOM 0 HG2 ARG A 35 -19.666 -5.730 -7.233 1.00 0.77 H new ATOM 0 HG3 ARG A 35 -21.238 -4.954 -7.248 1.00 0.77 H new ATOM 0 HD2 ARG A 35 -20.499 -7.407 -5.605 1.00 0.79 H new ATOM 0 HD3 ARG A 35 -20.611 -5.771 -4.988 1.00 0.79 H new ATOM 0 HE ARG A 35 -23.100 -6.185 -6.124 1.00 1.02 H new ATOM 0 HH11 ARG A 35 -21.130 -7.974 -3.794 1.00 1.79 H new ATOM 0 HH12 ARG A 35 -22.532 -8.592 -2.916 1.00 1.79 H new ATOM 0 HH21 ARG A 35 -24.884 -6.968 -4.981 1.00 1.90 H new ATOM 0 HH22 ARG A 35 -24.649 -8.025 -3.585 1.00 1.90 H new ATOM 659 N ILE A 36 -18.113 -6.404 -9.129 1.00 0.45 N ATOM 660 CA ILE A 36 -17.258 -5.510 -9.901 1.00 0.43 C ATOM 661 C ILE A 36 -15.994 -6.229 -10.370 1.00 0.45 C ATOM 662 O ILE A 36 -15.076 -6.471 -9.585 1.00 0.44 O ATOM 663 CB ILE A 36 -16.862 -4.252 -9.093 1.00 0.43 C ATOM 664 CG1 ILE A 36 -18.095 -3.624 -8.438 1.00 0.43 C ATOM 665 CG2 ILE A 36 -16.178 -3.232 -9.998 1.00 0.44 C ATOM 666 CD1 ILE A 36 -17.778 -2.405 -7.600 1.00 0.44 C ATOM 0 H ILE A 36 -17.820 -6.548 -8.163 1.00 0.45 H new ATOM 0 HA ILE A 36 -17.837 -5.195 -10.769 1.00 0.43 H new ATOM 0 HB ILE A 36 -16.165 -4.554 -8.311 1.00 0.43 H new ATOM 0 HG12 ILE A 36 -18.807 -3.346 -9.215 1.00 0.43 H new ATOM 0 HG13 ILE A 36 -18.583 -4.370 -7.810 1.00 0.43 H new ATOM 0 HG21 ILE A 36 -15.906 -2.353 -9.414 1.00 0.44 H new ATOM 0 HG22 ILE A 36 -15.280 -3.673 -10.430 1.00 0.44 H new ATOM 0 HG23 ILE A 36 -16.859 -2.940 -10.797 1.00 0.44 H new ATOM 0 HD11 ILE A 36 -18.698 -2.012 -7.167 1.00 0.44 H new ATOM 0 HD12 ILE A 36 -17.090 -2.681 -6.801 1.00 0.44 H new ATOM 0 HD13 ILE A 36 -17.318 -1.642 -8.228 1.00 0.44 H new ATOM 678 N PRO A 37 -15.928 -6.574 -11.664 1.00 0.53 N ATOM 679 CA PRO A 37 -14.775 -7.269 -12.244 1.00 0.60 C ATOM 680 C PRO A 37 -13.588 -6.334 -12.464 1.00 0.61 C ATOM 681 O PRO A 37 -12.507 -6.760 -12.871 1.00 0.71 O ATOM 682 CB PRO A 37 -15.310 -7.783 -13.578 1.00 0.73 C ATOM 683 CG PRO A 37 -16.382 -6.820 -13.956 1.00 0.76 C ATOM 684 CD PRO A 37 -16.981 -6.322 -12.668 1.00 0.60 C ATOM 0 HA PRO A 37 -14.398 -8.056 -11.591 1.00 0.60 H new ATOM 0 HB2 PRO A 37 -14.524 -7.816 -14.333 1.00 0.73 H new ATOM 0 HB3 PRO A 37 -15.703 -8.795 -13.483 1.00 0.73 H new ATOM 0 HG2 PRO A 37 -15.974 -5.994 -14.539 1.00 0.76 H new ATOM 0 HG3 PRO A 37 -17.138 -7.304 -14.574 1.00 0.76 H new ATOM 0 HD2 PRO A 37 -17.231 -5.263 -12.727 1.00 0.60 H new ATOM 0 HD3 PRO A 37 -17.901 -6.853 -12.424 1.00 0.60 H new ATOM 692 N GLU A 38 -13.799 -5.055 -12.197 1.00 0.57 N ATOM 693 CA GLU A 38 -12.741 -4.061 -12.308 1.00 0.61 C ATOM 694 C GLU A 38 -11.861 -4.079 -11.066 1.00 0.54 C ATOM 695 O GLU A 38 -10.760 -3.532 -11.065 1.00 0.62 O ATOM 696 CB GLU A 38 -13.335 -2.662 -12.511 1.00 0.75 C ATOM 697 CG GLU A 38 -13.769 -2.371 -13.942 1.00 0.99 C ATOM 698 CD GLU A 38 -14.720 -3.410 -14.500 1.00 1.67 C ATOM 699 OE1 GLU A 38 -15.920 -3.368 -14.160 1.00 2.46 O ATOM 700 OE2 GLU A 38 -14.267 -4.276 -15.280 1.00 2.04 O ATOM 0 H GLU A 38 -14.699 -4.678 -11.900 1.00 0.57 H new ATOM 0 HA GLU A 38 -12.129 -4.310 -13.175 1.00 0.61 H new ATOM 0 HB2 GLU A 38 -14.195 -2.545 -11.851 1.00 0.75 H new ATOM 0 HB3 GLU A 38 -12.598 -1.919 -12.208 1.00 0.75 H new ATOM 0 HG2 GLU A 38 -14.248 -1.393 -13.978 1.00 0.99 H new ATOM 0 HG3 GLU A 38 -12.886 -2.317 -14.579 1.00 0.99 H new ATOM 707 N ALA A 39 -12.357 -4.724 -10.015 1.00 0.47 N ATOM 708 CA ALA A 39 -11.648 -4.785 -8.746 1.00 0.47 C ATOM 709 C ALA A 39 -10.437 -5.708 -8.829 1.00 0.49 C ATOM 710 O ALA A 39 -9.353 -5.374 -8.359 1.00 0.55 O ATOM 711 CB ALA A 39 -12.593 -5.248 -7.643 1.00 0.47 C ATOM 0 H ALA A 39 -13.252 -5.213 -10.020 1.00 0.47 H new ATOM 0 HA ALA A 39 -11.287 -3.784 -8.511 1.00 0.47 H new ATOM 0 HB1 ALA A 39 -12.054 -5.291 -6.696 1.00 0.47 H new ATOM 0 HB2 ALA A 39 -13.423 -4.547 -7.557 1.00 0.47 H new ATOM 0 HB3 ALA A 39 -12.979 -6.238 -7.886 1.00 0.47 H new ATOM 717 N LEU A 40 -10.622 -6.868 -9.440 1.00 0.50 N ATOM 718 CA LEU A 40 -9.560 -7.861 -9.507 1.00 0.59 C ATOM 719 C LEU A 40 -8.784 -7.773 -10.823 1.00 0.67 C ATOM 720 O LEU A 40 -8.829 -8.676 -11.661 1.00 0.99 O ATOM 721 CB LEU A 40 -10.081 -9.298 -9.242 1.00 0.65 C ATOM 722 CG LEU A 40 -11.473 -9.690 -9.793 1.00 0.62 C ATOM 723 CD1 LEU A 40 -12.591 -9.013 -9.016 1.00 1.29 C ATOM 724 CD2 LEU A 40 -11.596 -9.373 -11.272 1.00 1.19 C ATOM 0 H LEU A 40 -11.492 -7.144 -9.894 1.00 0.50 H new ATOM 0 HA LEU A 40 -8.862 -7.628 -8.703 1.00 0.59 H new ATOM 0 HB2 LEU A 40 -9.352 -9.996 -9.654 1.00 0.65 H new ATOM 0 HB3 LEU A 40 -10.096 -9.452 -8.163 1.00 0.65 H new ATOM 0 HG LEU A 40 -11.572 -10.768 -9.665 1.00 0.62 H new ATOM 0 HD11 LEU A 40 -13.554 -9.311 -9.430 1.00 1.29 H new ATOM 0 HD12 LEU A 40 -12.538 -9.311 -7.969 1.00 1.29 H new ATOM 0 HD13 LEU A 40 -12.483 -7.931 -9.091 1.00 1.29 H new ATOM 0 HD21 LEU A 40 -12.586 -9.661 -11.625 1.00 1.19 H new ATOM 0 HD22 LEU A 40 -11.452 -8.304 -11.428 1.00 1.19 H new ATOM 0 HD23 LEU A 40 -10.838 -9.926 -11.827 1.00 1.19 H new ATOM 736 N ALA A 41 -8.055 -6.677 -10.988 1.00 0.65 N ATOM 737 CA ALA A 41 -7.233 -6.471 -12.175 1.00 0.74 C ATOM 738 C ALA A 41 -6.005 -7.379 -12.150 1.00 0.81 C ATOM 739 O ALA A 41 -5.224 -7.426 -13.101 1.00 1.15 O ATOM 740 CB ALA A 41 -6.819 -5.011 -12.281 1.00 0.92 C ATOM 0 H ALA A 41 -8.016 -5.914 -10.312 1.00 0.65 H new ATOM 0 HA ALA A 41 -7.825 -6.730 -13.053 1.00 0.74 H new ATOM 0 HB1 ALA A 41 -6.206 -4.870 -13.171 1.00 0.92 H new ATOM 0 HB2 ALA A 41 -7.708 -4.385 -12.350 1.00 0.92 H new ATOM 0 HB3 ALA A 41 -6.246 -4.730 -11.397 1.00 0.92 H new ATOM 746 N GLY A 42 -5.843 -8.083 -11.045 1.00 0.75 N ATOM 747 CA GLY A 42 -4.780 -9.051 -10.901 1.00 0.86 C ATOM 748 C GLY A 42 -5.164 -10.091 -9.872 1.00 0.80 C ATOM 749 O GLY A 42 -6.353 -10.377 -9.718 1.00 0.82 O ATOM 0 H GLY A 42 -6.445 -7.998 -10.226 1.00 0.75 H new ATOM 0 HA2 GLY A 42 -4.582 -9.531 -11.859 1.00 0.86 H new ATOM 0 HA3 GLY A 42 -3.860 -8.551 -10.599 1.00 0.86 H new ATOM 753 N PRO A 43 -4.198 -10.671 -9.145 1.00 0.83 N ATOM 754 CA PRO A 43 -4.496 -11.599 -8.054 1.00 0.82 C ATOM 755 C PRO A 43 -5.319 -10.917 -6.963 1.00 0.72 C ATOM 756 O PRO A 43 -4.839 -9.998 -6.296 1.00 0.66 O ATOM 757 CB PRO A 43 -3.118 -11.999 -7.516 1.00 0.94 C ATOM 758 CG PRO A 43 -2.160 -11.658 -8.605 1.00 1.09 C ATOM 759 CD PRO A 43 -2.753 -10.480 -9.328 1.00 0.98 C ATOM 0 HA PRO A 43 -5.084 -12.454 -8.387 1.00 0.82 H new ATOM 0 HB2 PRO A 43 -2.881 -11.459 -6.599 1.00 0.94 H new ATOM 0 HB3 PRO A 43 -3.082 -13.062 -7.278 1.00 0.94 H new ATOM 0 HG2 PRO A 43 -1.179 -11.412 -8.198 1.00 1.09 H new ATOM 0 HG3 PRO A 43 -2.022 -12.502 -9.281 1.00 1.09 H new ATOM 0 HD2 PRO A 43 -2.414 -9.535 -8.904 1.00 0.98 H new ATOM 0 HD3 PRO A 43 -2.477 -10.474 -10.383 1.00 0.98 H new ATOM 767 N PRO A 44 -6.574 -11.363 -6.770 1.00 0.76 N ATOM 768 CA PRO A 44 -7.522 -10.724 -5.844 1.00 0.73 C ATOM 769 C PRO A 44 -7.048 -10.751 -4.394 1.00 0.69 C ATOM 770 O PRO A 44 -7.567 -10.025 -3.547 1.00 0.74 O ATOM 771 CB PRO A 44 -8.800 -11.556 -6.001 1.00 0.93 C ATOM 772 CG PRO A 44 -8.347 -12.856 -6.566 1.00 0.99 C ATOM 773 CD PRO A 44 -7.170 -12.532 -7.439 1.00 0.89 C ATOM 0 HA PRO A 44 -7.651 -9.667 -6.076 1.00 0.73 H new ATOM 0 HB2 PRO A 44 -9.300 -11.695 -5.043 1.00 0.93 H new ATOM 0 HB3 PRO A 44 -9.512 -11.064 -6.664 1.00 0.93 H new ATOM 0 HG2 PRO A 44 -8.067 -13.551 -5.774 1.00 0.99 H new ATOM 0 HG3 PRO A 44 -9.142 -13.331 -7.141 1.00 0.99 H new ATOM 0 HD2 PRO A 44 -6.469 -13.365 -7.497 1.00 0.89 H new ATOM 0 HD3 PRO A 44 -7.476 -12.301 -8.459 1.00 0.89 H new ATOM 781 N ASN A 45 -6.053 -11.587 -4.128 1.00 0.72 N ATOM 782 CA ASN A 45 -5.497 -11.734 -2.788 1.00 0.77 C ATOM 783 C ASN A 45 -4.704 -10.493 -2.411 1.00 0.71 C ATOM 784 O ASN A 45 -4.633 -10.108 -1.244 1.00 0.85 O ATOM 785 CB ASN A 45 -4.563 -12.946 -2.737 1.00 0.87 C ATOM 786 CG ASN A 45 -5.207 -14.220 -3.243 1.00 1.41 C ATOM 787 OD1 ASN A 45 -6.398 -14.460 -3.044 1.00 2.21 O ATOM 788 ND2 ASN A 45 -4.425 -15.030 -3.938 1.00 1.37 N ATOM 0 H ASN A 45 -5.610 -12.180 -4.830 1.00 0.72 H new ATOM 0 HA ASN A 45 -6.321 -11.872 -2.088 1.00 0.77 H new ATOM 0 HB2 ASN A 45 -3.674 -12.736 -3.331 1.00 0.87 H new ATOM 0 HB3 ASN A 45 -4.232 -13.098 -1.710 1.00 0.87 H new ATOM 0 HD21 ASN A 45 -4.804 -15.891 -4.332 1.00 1.37 H new ATOM 0 HD22 ASN A 45 -3.443 -14.793 -4.080 1.00 1.37 H new ATOM 795 N ASP A 46 -4.124 -9.865 -3.421 1.00 0.61 N ATOM 796 CA ASP A 46 -3.220 -8.744 -3.219 1.00 0.68 C ATOM 797 C ASP A 46 -3.966 -7.416 -3.277 1.00 0.57 C ATOM 798 O ASP A 46 -3.349 -6.366 -3.403 1.00 0.61 O ATOM 799 CB ASP A 46 -2.125 -8.751 -4.292 1.00 0.83 C ATOM 800 CG ASP A 46 -1.246 -9.990 -4.252 1.00 1.22 C ATOM 801 OD1 ASP A 46 -1.739 -11.083 -4.594 1.00 1.38 O ATOM 802 OD2 ASP A 46 -0.051 -9.868 -3.917 1.00 1.90 O ATOM 0 H ASP A 46 -4.265 -10.116 -4.399 1.00 0.61 H new ATOM 0 HA ASP A 46 -2.773 -8.852 -2.231 1.00 0.68 H new ATOM 0 HB2 ASP A 46 -2.590 -8.677 -5.275 1.00 0.83 H new ATOM 0 HB3 ASP A 46 -1.499 -7.867 -4.167 1.00 0.83 H new ATOM 807 N PHE A 47 -5.285 -7.457 -3.180 1.00 0.53 N ATOM 808 CA PHE A 47 -6.092 -6.246 -3.268 1.00 0.47 C ATOM 809 C PHE A 47 -6.794 -5.963 -1.946 1.00 0.44 C ATOM 810 O PHE A 47 -7.319 -6.875 -1.308 1.00 0.48 O ATOM 811 CB PHE A 47 -7.127 -6.364 -4.389 1.00 0.49 C ATOM 812 CG PHE A 47 -6.563 -6.175 -5.769 1.00 0.51 C ATOM 813 CD1 PHE A 47 -6.399 -4.902 -6.289 1.00 0.78 C ATOM 814 CD2 PHE A 47 -6.209 -7.262 -6.548 1.00 0.79 C ATOM 815 CE1 PHE A 47 -5.890 -4.717 -7.561 1.00 0.80 C ATOM 816 CE2 PHE A 47 -5.698 -7.084 -7.818 1.00 0.85 C ATOM 817 CZ PHE A 47 -5.538 -5.810 -8.325 1.00 0.63 C ATOM 0 H PHE A 47 -5.821 -8.313 -3.040 1.00 0.53 H new ATOM 0 HA PHE A 47 -5.421 -5.417 -3.493 1.00 0.47 H new ATOM 0 HB2 PHE A 47 -7.598 -7.345 -4.332 1.00 0.49 H new ATOM 0 HB3 PHE A 47 -7.911 -5.625 -4.224 1.00 0.49 H new ATOM 0 HD1 PHE A 47 -6.672 -4.043 -5.694 1.00 0.78 H new ATOM 0 HD2 PHE A 47 -6.334 -8.261 -6.158 1.00 0.79 H new ATOM 0 HE1 PHE A 47 -5.768 -3.719 -7.955 1.00 0.80 H new ATOM 0 HE2 PHE A 47 -5.423 -7.941 -8.415 1.00 0.85 H new ATOM 0 HZ PHE A 47 -5.138 -5.669 -9.318 1.00 0.63 H new ATOM 827 N GLY A 48 -6.792 -4.700 -1.537 1.00 0.42 N ATOM 828 CA GLY A 48 -7.441 -4.322 -0.298 1.00 0.41 C ATOM 829 C GLY A 48 -8.122 -2.972 -0.390 1.00 0.35 C ATOM 830 O GLY A 48 -8.231 -2.397 -1.474 1.00 0.34 O ATOM 0 H GLY A 48 -6.352 -3.931 -2.042 1.00 0.42 H new ATOM 0 HA2 GLY A 48 -8.178 -5.080 -0.031 1.00 0.41 H new ATOM 0 HA3 GLY A 48 -6.702 -4.299 0.503 1.00 0.41 H new ATOM 834 N LEU A 49 -8.570 -2.460 0.746 1.00 0.31 N ATOM 835 CA LEU A 49 -9.327 -1.217 0.777 1.00 0.28 C ATOM 836 C LEU A 49 -8.458 -0.045 1.224 1.00 0.29 C ATOM 837 O LEU A 49 -8.007 0.009 2.366 1.00 0.31 O ATOM 838 CB LEU A 49 -10.527 -1.355 1.715 1.00 0.26 C ATOM 839 CG LEU A 49 -11.453 -2.538 1.428 1.00 0.26 C ATOM 840 CD1 LEU A 49 -12.604 -2.558 2.420 1.00 0.27 C ATOM 841 CD2 LEU A 49 -11.980 -2.480 0.003 1.00 0.25 C ATOM 0 H LEU A 49 -8.422 -2.887 1.661 1.00 0.31 H new ATOM 0 HA LEU A 49 -9.676 -1.015 -0.236 1.00 0.28 H new ATOM 0 HB2 LEU A 49 -10.159 -1.443 2.737 1.00 0.26 H new ATOM 0 HB3 LEU A 49 -11.113 -0.437 1.665 1.00 0.26 H new ATOM 0 HG LEU A 49 -10.879 -3.458 1.539 1.00 0.26 H new ATOM 0 HD11 LEU A 49 -13.255 -3.405 2.204 1.00 0.27 H new ATOM 0 HD12 LEU A 49 -12.210 -2.651 3.432 1.00 0.27 H new ATOM 0 HD13 LEU A 49 -13.173 -1.632 2.336 1.00 0.27 H new ATOM 0 HD21 LEU A 49 -12.636 -3.332 -0.177 1.00 0.25 H new ATOM 0 HD22 LEU A 49 -12.538 -1.555 -0.141 1.00 0.25 H new ATOM 0 HD23 LEU A 49 -11.144 -2.512 -0.696 1.00 0.25 H new ATOM 853 N PHE A 50 -8.201 0.869 0.309 1.00 0.29 N ATOM 854 CA PHE A 50 -7.509 2.105 0.641 1.00 0.30 C ATOM 855 C PHE A 50 -8.513 3.243 0.777 1.00 0.30 C ATOM 856 O PHE A 50 -9.302 3.503 -0.129 1.00 0.31 O ATOM 857 CB PHE A 50 -6.461 2.440 -0.424 1.00 0.34 C ATOM 858 CG PHE A 50 -5.643 3.668 -0.118 1.00 0.34 C ATOM 859 CD1 PHE A 50 -4.494 3.577 0.652 1.00 0.37 C ATOM 860 CD2 PHE A 50 -6.022 4.913 -0.598 1.00 0.36 C ATOM 861 CE1 PHE A 50 -3.740 4.698 0.935 1.00 0.38 C ATOM 862 CE2 PHE A 50 -5.272 6.039 -0.317 1.00 0.38 C ATOM 863 CZ PHE A 50 -4.137 5.938 0.446 1.00 0.37 C ATOM 0 H PHE A 50 -8.461 0.781 -0.673 1.00 0.29 H new ATOM 0 HA PHE A 50 -6.995 1.972 1.593 1.00 0.30 H new ATOM 0 HB2 PHE A 50 -5.790 1.589 -0.538 1.00 0.34 H new ATOM 0 HB3 PHE A 50 -6.963 2.580 -1.381 1.00 0.34 H new ATOM 0 HD1 PHE A 50 -4.185 2.616 1.036 1.00 0.37 H new ATOM 0 HD2 PHE A 50 -6.915 5.003 -1.199 1.00 0.36 H new ATOM 0 HE1 PHE A 50 -2.845 4.613 1.534 1.00 0.38 H new ATOM 0 HE2 PHE A 50 -5.580 7.001 -0.699 1.00 0.38 H new ATOM 0 HZ PHE A 50 -3.553 6.819 0.667 1.00 0.37 H new ATOM 873 N LEU A 51 -8.486 3.923 1.903 1.00 0.30 N ATOM 874 CA LEU A 51 -9.391 5.034 2.123 1.00 0.32 C ATOM 875 C LEU A 51 -8.690 6.315 1.700 1.00 0.36 C ATOM 876 O LEU A 51 -7.723 6.744 2.331 1.00 0.38 O ATOM 877 CB LEU A 51 -9.811 5.100 3.598 1.00 0.33 C ATOM 878 CG LEU A 51 -11.161 5.779 3.900 1.00 0.35 C ATOM 879 CD1 LEU A 51 -11.159 7.242 3.481 1.00 0.46 C ATOM 880 CD2 LEU A 51 -12.310 5.031 3.229 1.00 0.41 C ATOM 0 H LEU A 51 -7.851 3.729 2.678 1.00 0.30 H new ATOM 0 HA LEU A 51 -10.296 4.901 1.531 1.00 0.32 H new ATOM 0 HB2 LEU A 51 -9.846 4.083 3.988 1.00 0.33 H new ATOM 0 HB3 LEU A 51 -9.033 5.627 4.151 1.00 0.33 H new ATOM 0 HG LEU A 51 -11.309 5.743 4.979 1.00 0.35 H new ATOM 0 HD11 LEU A 51 -12.127 7.687 3.710 1.00 0.46 H new ATOM 0 HD12 LEU A 51 -10.378 7.775 4.023 1.00 0.46 H new ATOM 0 HD13 LEU A 51 -10.971 7.313 2.410 1.00 0.46 H new ATOM 0 HD21 LEU A 51 -13.252 5.530 3.458 1.00 0.41 H new ATOM 0 HD22 LEU A 51 -12.157 5.021 2.150 1.00 0.41 H new ATOM 0 HD23 LEU A 51 -12.343 4.007 3.600 1.00 0.41 H new ATOM 892 N SER A 52 -9.162 6.899 0.612 1.00 0.42 N ATOM 893 CA SER A 52 -8.566 8.108 0.080 1.00 0.53 C ATOM 894 C SER A 52 -9.194 9.324 0.737 1.00 0.61 C ATOM 895 O SER A 52 -10.399 9.554 0.629 1.00 0.93 O ATOM 896 CB SER A 52 -8.740 8.161 -1.438 1.00 0.67 C ATOM 897 OG SER A 52 -8.074 9.279 -2.000 1.00 1.28 O ATOM 0 H SER A 52 -9.960 6.552 0.079 1.00 0.42 H new ATOM 0 HA SER A 52 -7.498 8.106 0.300 1.00 0.53 H new ATOM 0 HB2 SER A 52 -8.352 7.244 -1.882 1.00 0.67 H new ATOM 0 HB3 SER A 52 -9.801 8.208 -1.682 1.00 0.67 H new ATOM 0 HG SER A 52 -8.203 9.283 -2.971 1.00 1.28 H new ATOM 903 N ASP A 53 -8.371 10.095 1.417 1.00 0.74 N ATOM 904 CA ASP A 53 -8.854 11.232 2.183 1.00 0.90 C ATOM 905 C ASP A 53 -8.505 12.535 1.479 1.00 1.04 C ATOM 906 O ASP A 53 -9.389 13.332 1.161 1.00 1.28 O ATOM 907 CB ASP A 53 -8.255 11.217 3.593 1.00 0.89 C ATOM 908 CG ASP A 53 -8.841 12.288 4.497 1.00 1.18 C ATOM 909 OD1 ASP A 53 -8.410 13.456 4.406 1.00 1.24 O ATOM 910 OD2 ASP A 53 -9.726 11.962 5.315 1.00 1.42 O ATOM 0 H ASP A 53 -7.361 9.957 1.457 1.00 0.74 H new ATOM 0 HA ASP A 53 -9.939 11.159 2.262 1.00 0.90 H new ATOM 0 HB2 ASP A 53 -8.422 10.238 4.043 1.00 0.89 H new ATOM 0 HB3 ASP A 53 -7.176 11.357 3.525 1.00 0.89 H new ATOM 915 N ASP A 54 -7.214 12.724 1.207 1.00 0.93 N ATOM 916 CA ASP A 54 -6.714 13.974 0.632 1.00 1.10 C ATOM 917 C ASP A 54 -5.200 13.928 0.485 1.00 1.02 C ATOM 918 O ASP A 54 -4.658 14.004 -0.617 1.00 1.22 O ATOM 919 CB ASP A 54 -7.103 15.163 1.522 1.00 1.26 C ATOM 920 CG ASP A 54 -6.437 16.457 1.103 1.00 1.47 C ATOM 921 OD1 ASP A 54 -6.771 16.982 0.021 1.00 1.73 O ATOM 922 OD2 ASP A 54 -5.587 16.966 1.864 1.00 1.45 O ATOM 0 H ASP A 54 -6.492 12.024 1.376 1.00 0.93 H new ATOM 0 HA ASP A 54 -7.164 14.097 -0.353 1.00 1.10 H new ATOM 0 HB2 ASP A 54 -8.185 15.292 1.495 1.00 1.26 H new ATOM 0 HB3 ASP A 54 -6.835 14.940 2.555 1.00 1.26 H new ATOM 927 N ASP A 55 -4.535 13.769 1.612 1.00 0.87 N ATOM 928 CA ASP A 55 -3.080 13.795 1.679 1.00 0.94 C ATOM 929 C ASP A 55 -2.554 12.380 1.910 1.00 0.87 C ATOM 930 O ASP A 55 -3.236 11.571 2.533 1.00 0.71 O ATOM 931 CB ASP A 55 -2.656 14.741 2.813 1.00 0.99 C ATOM 932 CG ASP A 55 -1.180 14.682 3.144 1.00 1.39 C ATOM 933 OD1 ASP A 55 -0.794 13.843 3.977 1.00 1.79 O ATOM 934 OD2 ASP A 55 -0.404 15.481 2.587 1.00 1.58 O ATOM 0 H ASP A 55 -4.987 13.617 2.514 1.00 0.87 H new ATOM 0 HA ASP A 55 -2.660 14.160 0.742 1.00 0.94 H new ATOM 0 HB2 ASP A 55 -2.915 15.763 2.536 1.00 0.99 H new ATOM 0 HB3 ASP A 55 -3.229 14.498 3.708 1.00 0.99 H new ATOM 939 N PRO A 56 -1.357 12.052 1.386 1.00 1.06 N ATOM 940 CA PRO A 56 -0.736 10.726 1.548 1.00 1.08 C ATOM 941 C PRO A 56 -0.678 10.226 2.998 1.00 0.98 C ATOM 942 O PRO A 56 -0.592 9.019 3.227 1.00 0.97 O ATOM 943 CB PRO A 56 0.685 10.909 0.993 1.00 1.35 C ATOM 944 CG PRO A 56 0.853 12.376 0.775 1.00 1.48 C ATOM 945 CD PRO A 56 -0.524 12.924 0.549 1.00 1.33 C ATOM 0 HA PRO A 56 -1.326 9.969 1.031 1.00 1.08 H new ATOM 0 HB2 PRO A 56 1.430 10.530 1.693 1.00 1.35 H new ATOM 0 HB3 PRO A 56 0.814 10.358 0.061 1.00 1.35 H new ATOM 0 HG2 PRO A 56 1.323 12.847 1.639 1.00 1.48 H new ATOM 0 HG3 PRO A 56 1.496 12.571 -0.083 1.00 1.48 H new ATOM 0 HD2 PRO A 56 -0.599 13.969 0.851 1.00 1.33 H new ATOM 0 HD3 PRO A 56 -0.813 12.874 -0.501 1.00 1.33 H new ATOM 953 N LYS A 57 -0.706 11.134 3.973 1.00 0.99 N ATOM 954 CA LYS A 57 -0.726 10.730 5.380 1.00 1.02 C ATOM 955 C LYS A 57 -2.163 10.543 5.858 1.00 0.82 C ATOM 956 O LYS A 57 -2.435 9.727 6.740 1.00 0.87 O ATOM 957 CB LYS A 57 -0.042 11.766 6.276 1.00 1.25 C ATOM 958 CG LYS A 57 1.336 12.182 5.832 1.00 1.51 C ATOM 959 CD LYS A 57 2.332 11.076 6.066 1.00 1.62 C ATOM 960 CE LYS A 57 3.739 11.618 6.084 1.00 2.08 C ATOM 961 NZ LYS A 57 4.030 12.399 7.316 1.00 2.93 N ATOM 0 H LYS A 57 -0.715 12.142 3.819 1.00 0.99 H new ATOM 0 HA LYS A 57 -0.180 9.789 5.451 1.00 1.02 H new ATOM 0 HB2 LYS A 57 -0.674 12.653 6.328 1.00 1.25 H new ATOM 0 HB3 LYS A 57 0.025 11.363 7.286 1.00 1.25 H new ATOM 0 HG2 LYS A 57 1.318 12.443 4.774 1.00 1.51 H new ATOM 0 HG3 LYS A 57 1.644 13.075 6.376 1.00 1.51 H new ATOM 0 HD2 LYS A 57 2.116 10.580 7.012 1.00 1.62 H new ATOM 0 HD3 LYS A 57 2.237 10.323 5.283 1.00 1.62 H new ATOM 0 HE2 LYS A 57 4.445 10.791 6.006 1.00 2.08 H new ATOM 0 HE3 LYS A 57 3.893 12.252 5.211 1.00 2.08 H new ATOM 0 HZ1 LYS A 57 5.059 12.489 7.435 1.00 2.93 H new ATOM 0 HZ2 LYS A 57 3.606 13.345 7.235 1.00 2.93 H new ATOM 0 HZ3 LYS A 57 3.628 11.909 8.141 1.00 2.93 H new ATOM 975 N LYS A 58 -3.075 11.324 5.288 1.00 0.69 N ATOM 976 CA LYS A 58 -4.487 11.231 5.634 1.00 0.65 C ATOM 977 C LYS A 58 -5.083 9.958 5.045 1.00 0.56 C ATOM 978 O LYS A 58 -5.959 9.331 5.646 1.00 0.63 O ATOM 979 CB LYS A 58 -5.248 12.446 5.106 1.00 0.73 C ATOM 980 CG LYS A 58 -4.730 13.779 5.620 1.00 0.94 C ATOM 981 CD LYS A 58 -5.406 14.930 4.899 1.00 1.24 C ATOM 982 CE LYS A 58 -4.829 16.276 5.297 1.00 1.55 C ATOM 983 NZ LYS A 58 -5.415 17.383 4.495 1.00 2.16 N ATOM 0 H LYS A 58 -2.860 12.029 4.583 1.00 0.69 H new ATOM 0 HA LYS A 58 -4.577 11.204 6.720 1.00 0.65 H new ATOM 0 HB2 LYS A 58 -5.199 12.446 4.017 1.00 0.73 H new ATOM 0 HB3 LYS A 58 -6.299 12.348 5.378 1.00 0.73 H new ATOM 0 HG2 LYS A 58 -4.913 13.857 6.692 1.00 0.94 H new ATOM 0 HG3 LYS A 58 -3.651 13.836 5.475 1.00 0.94 H new ATOM 0 HD2 LYS A 58 -5.299 14.795 3.823 1.00 1.24 H new ATOM 0 HD3 LYS A 58 -6.474 14.916 5.117 1.00 1.24 H new ATOM 0 HE2 LYS A 58 -5.017 16.454 6.356 1.00 1.55 H new ATOM 0 HE3 LYS A 58 -3.747 16.262 5.163 1.00 1.55 H new ATOM 0 HZ1 LYS A 58 -4.695 18.117 4.338 1.00 2.16 H new ATOM 0 HZ2 LYS A 58 -5.739 17.014 3.578 1.00 2.16 H new ATOM 0 HZ3 LYS A 58 -6.222 17.794 5.007 1.00 2.16 H new ATOM 997 N GLY A 59 -4.609 9.600 3.856 1.00 0.54 N ATOM 998 CA GLY A 59 -5.013 8.360 3.234 1.00 0.59 C ATOM 999 C GLY A 59 -4.506 7.172 4.016 1.00 0.54 C ATOM 1000 O GLY A 59 -3.384 7.194 4.522 1.00 0.58 O ATOM 0 H GLY A 59 -3.948 10.154 3.312 1.00 0.54 H new ATOM 0 HA2 GLY A 59 -6.100 8.319 3.168 1.00 0.59 H new ATOM 0 HA3 GLY A 59 -4.630 8.319 2.214 1.00 0.59 H new ATOM 1004 N ILE A 60 -5.314 6.133 4.113 1.00 0.49 N ATOM 1005 CA ILE A 60 -4.986 5.010 4.976 1.00 0.47 C ATOM 1006 C ILE A 60 -5.397 3.687 4.371 1.00 0.42 C ATOM 1007 O ILE A 60 -6.258 3.624 3.490 1.00 0.41 O ATOM 1008 CB ILE A 60 -5.661 5.131 6.354 1.00 0.51 C ATOM 1009 CG1 ILE A 60 -7.128 5.542 6.192 1.00 0.55 C ATOM 1010 CG2 ILE A 60 -4.902 6.111 7.231 1.00 0.60 C ATOM 1011 CD1 ILE A 60 -7.926 5.485 7.474 1.00 0.65 C ATOM 0 H ILE A 60 -6.196 6.042 3.610 1.00 0.49 H new ATOM 0 HA ILE A 60 -3.902 5.038 5.090 1.00 0.47 H new ATOM 0 HB ILE A 60 -5.639 4.159 6.847 1.00 0.51 H new ATOM 0 HG12 ILE A 60 -7.169 6.556 5.795 1.00 0.55 H new ATOM 0 HG13 ILE A 60 -7.598 4.892 5.454 1.00 0.55 H new ATOM 0 HG21 ILE A 60 -5.392 6.185 8.202 1.00 0.60 H new ATOM 0 HG22 ILE A 60 -3.879 5.761 7.367 1.00 0.60 H new ATOM 0 HG23 ILE A 60 -4.890 7.091 6.755 1.00 0.60 H new ATOM 0 HD11 ILE A 60 -8.954 5.790 7.277 1.00 0.65 H new ATOM 0 HD12 ILE A 60 -7.918 4.467 7.863 1.00 0.65 H new ATOM 0 HD13 ILE A 60 -7.483 6.157 8.209 1.00 0.65 H new ATOM 1023 N TRP A 61 -4.781 2.634 4.866 1.00 0.42 N ATOM 1024 CA TRP A 61 -5.152 1.292 4.493 1.00 0.40 C ATOM 1025 C TRP A 61 -6.172 0.748 5.468 1.00 0.40 C ATOM 1026 O TRP A 61 -6.031 0.891 6.686 1.00 0.48 O ATOM 1027 CB TRP A 61 -3.930 0.383 4.470 1.00 0.44 C ATOM 1028 CG TRP A 61 -3.014 0.666 3.332 1.00 0.43 C ATOM 1029 CD1 TRP A 61 -1.836 1.350 3.374 1.00 0.48 C ATOM 1030 CD2 TRP A 61 -3.208 0.276 1.972 1.00 0.41 C ATOM 1031 NE1 TRP A 61 -1.280 1.399 2.121 1.00 0.49 N ATOM 1032 CE2 TRP A 61 -2.104 0.747 1.243 1.00 0.45 C ATOM 1033 CE3 TRP A 61 -4.208 -0.431 1.303 1.00 0.41 C ATOM 1034 CZ2 TRP A 61 -1.971 0.534 -0.123 1.00 0.48 C ATOM 1035 CZ3 TRP A 61 -4.076 -0.642 -0.054 1.00 0.45 C ATOM 1036 CH2 TRP A 61 -2.964 -0.161 -0.752 1.00 0.48 C ATOM 0 H TRP A 61 -4.013 2.687 5.535 1.00 0.42 H new ATOM 0 HA TRP A 61 -5.585 1.321 3.493 1.00 0.40 H new ATOM 0 HB2 TRP A 61 -3.383 0.496 5.406 1.00 0.44 H new ATOM 0 HB3 TRP A 61 -4.258 -0.655 4.416 1.00 0.44 H new ATOM 0 HD1 TRP A 61 -1.404 1.788 4.262 1.00 0.48 H new ATOM 0 HE1 TRP A 61 -0.396 1.848 1.882 1.00 0.49 H new ATOM 0 HE3 TRP A 61 -5.069 -0.806 1.837 1.00 0.41 H new ATOM 0 HZ2 TRP A 61 -1.115 0.904 -0.667 1.00 0.48 H new ATOM 0 HZ3 TRP A 61 -4.843 -1.187 -0.585 1.00 0.45 H new ATOM 0 HH2 TRP A 61 -2.889 -0.343 -1.814 1.00 0.48 H new ATOM 1047 N LEU A 62 -7.209 0.146 4.932 1.00 0.36 N ATOM 1048 CA LEU A 62 -8.217 -0.482 5.747 1.00 0.37 C ATOM 1049 C LEU A 62 -7.910 -1.967 5.859 1.00 0.42 C ATOM 1050 O LEU A 62 -8.075 -2.713 4.896 1.00 0.43 O ATOM 1051 CB LEU A 62 -9.601 -0.270 5.127 1.00 0.33 C ATOM 1052 CG LEU A 62 -9.942 1.180 4.768 1.00 0.31 C ATOM 1053 CD1 LEU A 62 -11.295 1.255 4.088 1.00 0.29 C ATOM 1054 CD2 LEU A 62 -9.933 2.057 6.003 1.00 0.35 C ATOM 0 H LEU A 62 -7.375 0.079 3.928 1.00 0.36 H new ATOM 0 HA LEU A 62 -8.215 -0.036 6.742 1.00 0.37 H new ATOM 0 HB2 LEU A 62 -9.674 -0.877 4.225 1.00 0.33 H new ATOM 0 HB3 LEU A 62 -10.353 -0.641 5.823 1.00 0.33 H new ATOM 0 HG LEU A 62 -9.181 1.545 4.079 1.00 0.31 H new ATOM 0 HD11 LEU A 62 -11.521 2.292 3.840 1.00 0.29 H new ATOM 0 HD12 LEU A 62 -11.277 0.660 3.175 1.00 0.29 H new ATOM 0 HD13 LEU A 62 -12.061 0.867 4.759 1.00 0.29 H new ATOM 0 HD21 LEU A 62 -10.178 3.082 5.723 1.00 0.35 H new ATOM 0 HD22 LEU A 62 -10.671 1.689 6.716 1.00 0.35 H new ATOM 0 HD23 LEU A 62 -8.944 2.032 6.460 1.00 0.35 H new ATOM 1066 N GLU A 63 -7.438 -2.390 7.021 1.00 0.48 N ATOM 1067 CA GLU A 63 -7.087 -3.784 7.233 1.00 0.55 C ATOM 1068 C GLU A 63 -8.315 -4.581 7.658 1.00 0.52 C ATOM 1069 O GLU A 63 -9.286 -4.017 8.160 1.00 0.48 O ATOM 1070 CB GLU A 63 -5.989 -3.902 8.293 1.00 0.65 C ATOM 1071 CG GLU A 63 -6.376 -3.323 9.647 1.00 0.68 C ATOM 1072 CD GLU A 63 -5.310 -3.549 10.699 1.00 1.07 C ATOM 1073 OE1 GLU A 63 -5.274 -4.653 11.281 1.00 1.42 O ATOM 1074 OE2 GLU A 63 -4.504 -2.629 10.946 1.00 1.30 O ATOM 0 H GLU A 63 -7.289 -1.788 7.831 1.00 0.48 H new ATOM 0 HA GLU A 63 -6.712 -4.193 6.295 1.00 0.55 H new ATOM 0 HB2 GLU A 63 -5.730 -4.953 8.419 1.00 0.65 H new ATOM 0 HB3 GLU A 63 -5.094 -3.394 7.934 1.00 0.65 H new ATOM 0 HG2 GLU A 63 -6.558 -2.253 9.543 1.00 0.68 H new ATOM 0 HG3 GLU A 63 -7.311 -3.775 9.978 1.00 0.68 H new ATOM 1081 N ALA A 64 -8.263 -5.892 7.478 1.00 0.58 N ATOM 1082 CA ALA A 64 -9.387 -6.759 7.814 1.00 0.58 C ATOM 1083 C ALA A 64 -9.531 -6.924 9.326 1.00 0.60 C ATOM 1084 O ALA A 64 -10.387 -7.666 9.803 1.00 0.65 O ATOM 1085 CB ALA A 64 -9.217 -8.113 7.146 1.00 0.64 C ATOM 0 H ALA A 64 -7.452 -6.382 7.100 1.00 0.58 H new ATOM 0 HA ALA A 64 -10.299 -6.291 7.444 1.00 0.58 H new ATOM 0 HB1 ALA A 64 -10.061 -8.754 7.402 1.00 0.64 H new ATOM 0 HB2 ALA A 64 -9.176 -7.983 6.065 1.00 0.64 H new ATOM 0 HB3 ALA A 64 -8.292 -8.575 7.491 1.00 0.64 H new ATOM 1091 N GLY A 65 -8.691 -6.222 10.069 1.00 0.64 N ATOM 1092 CA GLY A 65 -8.728 -6.295 11.515 1.00 0.70 C ATOM 1093 C GLY A 65 -9.592 -5.214 12.140 1.00 0.70 C ATOM 1094 O GLY A 65 -9.572 -5.032 13.357 1.00 0.84 O ATOM 0 H GLY A 65 -7.978 -5.597 9.693 1.00 0.64 H new ATOM 0 HA2 GLY A 65 -9.105 -7.273 11.815 1.00 0.70 H new ATOM 0 HA3 GLY A 65 -7.713 -6.212 11.904 1.00 0.70 H new ATOM 1098 N LYS A 66 -10.361 -4.501 11.318 1.00 0.60 N ATOM 1099 CA LYS A 66 -11.243 -3.456 11.819 1.00 0.61 C ATOM 1100 C LYS A 66 -12.378 -3.236 10.825 1.00 0.54 C ATOM 1101 O LYS A 66 -12.283 -3.650 9.666 1.00 0.47 O ATOM 1102 CB LYS A 66 -10.469 -2.148 12.062 1.00 0.66 C ATOM 1103 CG LYS A 66 -10.606 -1.107 10.958 1.00 0.60 C ATOM 1104 CD LYS A 66 -9.854 -1.483 9.697 1.00 0.56 C ATOM 1105 CE LYS A 66 -10.675 -1.164 8.458 1.00 0.61 C ATOM 1106 NZ LYS A 66 -11.183 0.230 8.460 1.00 1.29 N ATOM 0 H LYS A 66 -10.389 -4.630 10.307 1.00 0.60 H new ATOM 0 HA LYS A 66 -11.659 -3.772 12.776 1.00 0.61 H new ATOM 0 HB2 LYS A 66 -10.811 -1.709 12.999 1.00 0.66 H new ATOM 0 HB3 LYS A 66 -9.413 -2.386 12.188 1.00 0.66 H new ATOM 0 HG2 LYS A 66 -11.661 -0.974 10.720 1.00 0.60 H new ATOM 0 HG3 LYS A 66 -10.238 -0.148 11.322 1.00 0.60 H new ATOM 0 HD2 LYS A 66 -8.907 -0.944 9.659 1.00 0.56 H new ATOM 0 HD3 LYS A 66 -9.615 -2.546 9.715 1.00 0.56 H new ATOM 0 HE2 LYS A 66 -10.064 -1.324 7.570 1.00 0.61 H new ATOM 0 HE3 LYS A 66 -11.516 -1.854 8.395 1.00 0.61 H new ATOM 0 HZ1 LYS A 66 -11.558 0.464 7.519 1.00 1.29 H new ATOM 0 HZ2 LYS A 66 -11.940 0.323 9.167 1.00 1.29 H new ATOM 0 HZ3 LYS A 66 -10.408 0.882 8.696 1.00 1.29 H new ATOM 1120 N ALA A 67 -13.443 -2.587 11.261 1.00 0.57 N ATOM 1121 CA ALA A 67 -14.577 -2.346 10.392 1.00 0.52 C ATOM 1122 C ALA A 67 -14.404 -1.038 9.629 1.00 0.47 C ATOM 1123 O ALA A 67 -13.472 -0.271 9.884 1.00 0.47 O ATOM 1124 CB ALA A 67 -15.866 -2.351 11.193 1.00 0.59 C ATOM 0 H ALA A 67 -13.545 -2.220 12.207 1.00 0.57 H new ATOM 0 HA ALA A 67 -14.632 -3.151 9.659 1.00 0.52 H new ATOM 0 HB1 ALA A 67 -16.709 -2.169 10.527 1.00 0.59 H new ATOM 0 HB2 ALA A 67 -15.989 -3.319 11.678 1.00 0.59 H new ATOM 0 HB3 ALA A 67 -15.827 -1.568 11.951 1.00 0.59 H new ATOM 1130 N LEU A 68 -15.288 -0.798 8.677 1.00 0.45 N ATOM 1131 CA LEU A 68 -15.228 0.403 7.855 1.00 0.40 C ATOM 1132 C LEU A 68 -15.612 1.630 8.676 1.00 0.43 C ATOM 1133 O LEU A 68 -14.884 2.620 8.708 1.00 0.44 O ATOM 1134 CB LEU A 68 -16.164 0.250 6.657 1.00 0.37 C ATOM 1135 CG LEU A 68 -15.816 -0.897 5.706 1.00 0.36 C ATOM 1136 CD1 LEU A 68 -16.845 -0.997 4.593 1.00 0.36 C ATOM 1137 CD2 LEU A 68 -14.423 -0.708 5.125 1.00 0.37 C ATOM 0 H LEU A 68 -16.062 -1.422 8.451 1.00 0.45 H new ATOM 0 HA LEU A 68 -14.208 0.539 7.496 1.00 0.40 H new ATOM 0 HB2 LEU A 68 -17.179 0.101 7.025 1.00 0.37 H new ATOM 0 HB3 LEU A 68 -16.163 1.183 6.093 1.00 0.37 H new ATOM 0 HG LEU A 68 -15.829 -1.827 6.274 1.00 0.36 H new ATOM 0 HD11 LEU A 68 -16.581 -1.818 3.926 1.00 0.36 H new ATOM 0 HD12 LEU A 68 -17.830 -1.181 5.023 1.00 0.36 H new ATOM 0 HD13 LEU A 68 -16.864 -0.064 4.030 1.00 0.36 H new ATOM 0 HD21 LEU A 68 -14.195 -1.534 4.451 1.00 0.37 H new ATOM 0 HD22 LEU A 68 -14.383 0.231 4.574 1.00 0.37 H new ATOM 0 HD23 LEU A 68 -13.692 -0.686 5.933 1.00 0.37 H new ATOM 1149 N ASP A 69 -16.725 1.521 9.393 1.00 0.47 N ATOM 1150 CA ASP A 69 -17.292 2.639 10.137 1.00 0.52 C ATOM 1151 C ASP A 69 -16.457 2.951 11.371 1.00 0.58 C ATOM 1152 O ASP A 69 -16.710 3.930 12.070 1.00 0.65 O ATOM 1153 CB ASP A 69 -18.724 2.310 10.556 1.00 0.58 C ATOM 1154 CG ASP A 69 -18.794 1.505 11.845 1.00 0.86 C ATOM 1155 OD1 ASP A 69 -18.131 0.447 11.933 1.00 1.16 O ATOM 1156 OD2 ASP A 69 -19.523 1.922 12.772 1.00 1.14 O ATOM 0 H ASP A 69 -17.259 0.656 9.475 1.00 0.47 H new ATOM 0 HA ASP A 69 -17.292 3.516 9.489 1.00 0.52 H new ATOM 0 HB2 ASP A 69 -19.282 3.238 10.682 1.00 0.58 H new ATOM 0 HB3 ASP A 69 -19.211 1.751 9.757 1.00 0.58 H new ATOM 1161 N TYR A 70 -15.485 2.090 11.643 1.00 0.59 N ATOM 1162 CA TYR A 70 -14.524 2.316 12.701 1.00 0.65 C ATOM 1163 C TYR A 70 -13.817 3.652 12.485 1.00 0.62 C ATOM 1164 O TYR A 70 -13.643 4.436 13.416 1.00 0.67 O ATOM 1165 CB TYR A 70 -13.527 1.155 12.718 1.00 0.69 C ATOM 1166 CG TYR A 70 -12.243 1.440 13.451 1.00 0.81 C ATOM 1167 CD1 TYR A 70 -12.222 1.669 14.816 1.00 1.02 C ATOM 1168 CD2 TYR A 70 -11.047 1.477 12.761 1.00 0.84 C ATOM 1169 CE1 TYR A 70 -11.033 1.927 15.473 1.00 1.21 C ATOM 1170 CE2 TYR A 70 -9.858 1.731 13.402 1.00 1.05 C ATOM 1171 CZ TYR A 70 -9.851 1.955 14.759 1.00 1.22 C ATOM 1172 OH TYR A 70 -8.660 2.212 15.404 1.00 1.45 O ATOM 0 H TYR A 70 -15.345 1.217 11.134 1.00 0.59 H new ATOM 0 HA TYR A 70 -15.029 2.361 13.666 1.00 0.65 H new ATOM 0 HB2 TYR A 70 -14.006 0.289 13.175 1.00 0.69 H new ATOM 0 HB3 TYR A 70 -13.290 0.882 11.690 1.00 0.69 H new ATOM 0 HD1 TYR A 70 -13.146 1.646 15.375 1.00 1.02 H new ATOM 0 HD2 TYR A 70 -11.046 1.303 11.695 1.00 0.84 H new ATOM 0 HE1 TYR A 70 -11.029 2.106 16.538 1.00 1.21 H new ATOM 0 HE2 TYR A 70 -8.934 1.755 12.843 1.00 1.05 H new ATOM 0 HH TYR A 70 -7.926 2.194 14.755 1.00 1.45 H new ATOM 1182 N TYR A 71 -13.408 3.895 11.246 1.00 0.57 N ATOM 1183 CA TYR A 71 -12.817 5.171 10.873 1.00 0.58 C ATOM 1184 C TYR A 71 -13.903 6.212 10.617 1.00 0.60 C ATOM 1185 O TYR A 71 -15.026 6.088 11.099 1.00 0.69 O ATOM 1186 CB TYR A 71 -11.922 5.008 9.644 1.00 0.56 C ATOM 1187 CG TYR A 71 -10.630 4.283 9.936 1.00 0.56 C ATOM 1188 CD1 TYR A 71 -9.572 4.930 10.553 1.00 0.58 C ATOM 1189 CD2 TYR A 71 -10.471 2.946 9.592 1.00 0.62 C ATOM 1190 CE1 TYR A 71 -8.388 4.265 10.821 1.00 0.63 C ATOM 1191 CE2 TYR A 71 -9.293 2.275 9.856 1.00 0.66 C ATOM 1192 CZ TYR A 71 -8.247 2.955 10.477 1.00 0.65 C ATOM 1193 OH TYR A 71 -7.078 2.278 10.737 1.00 0.72 O ATOM 0 H TYR A 71 -13.476 3.223 10.482 1.00 0.57 H new ATOM 0 HA TYR A 71 -12.200 5.520 11.701 1.00 0.58 H new ATOM 0 HB2 TYR A 71 -12.470 4.464 8.874 1.00 0.56 H new ATOM 0 HB3 TYR A 71 -11.694 5.993 9.237 1.00 0.56 H new ATOM 0 HD1 TYR A 71 -9.672 5.969 10.829 1.00 0.58 H new ATOM 0 HD2 TYR A 71 -11.283 2.422 9.110 1.00 0.62 H new ATOM 0 HE1 TYR A 71 -7.575 4.786 11.304 1.00 0.63 H new ATOM 0 HE2 TYR A 71 -9.184 1.235 9.584 1.00 0.66 H new ATOM 0 HH TYR A 71 -7.159 1.353 10.423 1.00 0.72 H new ATOM 1203 N MET A 72 -13.571 7.229 9.843 1.00 0.60 N ATOM 1204 CA MET A 72 -14.495 8.321 9.582 1.00 0.69 C ATOM 1205 C MET A 72 -15.289 8.087 8.297 1.00 0.63 C ATOM 1206 O MET A 72 -15.622 9.037 7.586 1.00 0.75 O ATOM 1207 CB MET A 72 -13.724 9.629 9.480 1.00 0.83 C ATOM 1208 CG MET A 72 -12.978 9.990 10.754 1.00 1.02 C ATOM 1209 SD MET A 72 -14.058 10.106 12.197 1.00 1.73 S ATOM 1210 CE MET A 72 -15.082 11.507 11.751 1.00 2.38 C ATOM 0 H MET A 72 -12.666 7.323 9.382 1.00 0.60 H new ATOM 0 HA MET A 72 -15.203 8.372 10.410 1.00 0.69 H new ATOM 0 HB2 MET A 72 -13.012 9.559 8.658 1.00 0.83 H new ATOM 0 HB3 MET A 72 -14.418 10.433 9.234 1.00 0.83 H new ATOM 0 HG2 MET A 72 -12.209 9.241 10.942 1.00 1.02 H new ATOM 0 HG3 MET A 72 -12.468 10.943 10.612 1.00 1.02 H new ATOM 0 HE1 MET A 72 -15.650 11.835 12.622 1.00 2.38 H new ATOM 0 HE2 MET A 72 -14.450 12.323 11.402 1.00 2.38 H new ATOM 0 HE3 MET A 72 -15.770 11.217 10.957 1.00 2.38 H new ATOM 1220 N LEU A 73 -15.627 6.832 8.013 1.00 0.56 N ATOM 1221 CA LEU A 73 -16.313 6.510 6.765 1.00 0.54 C ATOM 1222 C LEU A 73 -17.803 6.593 6.957 1.00 0.50 C ATOM 1223 O LEU A 73 -18.339 6.232 8.005 1.00 0.60 O ATOM 1224 CB LEU A 73 -15.942 5.123 6.217 1.00 0.71 C ATOM 1225 CG LEU A 73 -14.531 4.633 6.509 1.00 0.43 C ATOM 1226 CD1 LEU A 73 -14.226 3.398 5.683 1.00 0.88 C ATOM 1227 CD2 LEU A 73 -13.523 5.718 6.239 1.00 0.88 C ATOM 0 H LEU A 73 -15.441 6.033 8.619 1.00 0.56 H new ATOM 0 HA LEU A 73 -15.985 7.246 6.030 1.00 0.54 H new ATOM 0 HB2 LEU A 73 -16.646 4.396 6.622 1.00 0.71 H new ATOM 0 HB3 LEU A 73 -16.082 5.134 5.136 1.00 0.71 H new ATOM 0 HG LEU A 73 -14.466 4.370 7.565 1.00 0.43 H new ATOM 0 HD11 LEU A 73 -13.214 3.056 5.900 1.00 0.88 H new ATOM 0 HD12 LEU A 73 -14.936 2.610 5.931 1.00 0.88 H new ATOM 0 HD13 LEU A 73 -14.308 3.640 4.623 1.00 0.88 H new ATOM 0 HD21 LEU A 73 -12.521 5.346 6.454 1.00 0.88 H new ATOM 0 HD22 LEU A 73 -13.582 6.017 5.192 1.00 0.88 H new ATOM 0 HD23 LEU A 73 -13.735 6.578 6.874 1.00 0.88 H new ATOM 1239 N ARG A 74 -18.460 7.085 5.930 1.00 0.48 N ATOM 1240 CA ARG A 74 -19.883 7.319 5.968 1.00 0.52 C ATOM 1241 C ARG A 74 -20.427 7.508 4.564 1.00 0.46 C ATOM 1242 O ARG A 74 -19.687 7.443 3.584 1.00 0.45 O ATOM 1243 CB ARG A 74 -20.223 8.530 6.855 1.00 0.65 C ATOM 1244 CG ARG A 74 -19.140 9.604 6.913 1.00 1.17 C ATOM 1245 CD ARG A 74 -18.911 10.276 5.574 1.00 1.64 C ATOM 1246 NE ARG A 74 -17.485 10.413 5.276 1.00 2.05 N ATOM 1247 CZ ARG A 74 -16.871 11.571 5.048 1.00 2.72 C ATOM 1248 NH1 ARG A 74 -17.530 12.719 5.153 1.00 2.96 N ATOM 1249 NH2 ARG A 74 -15.586 11.568 4.731 1.00 3.29 N ATOM 0 H ARG A 74 -18.020 7.334 5.044 1.00 0.48 H new ATOM 0 HA ARG A 74 -20.359 6.442 6.407 1.00 0.52 H new ATOM 0 HB2 ARG A 74 -21.145 8.983 6.490 1.00 0.65 H new ATOM 0 HB3 ARG A 74 -20.420 8.177 7.867 1.00 0.65 H new ATOM 0 HG2 ARG A 74 -19.420 10.357 7.650 1.00 1.17 H new ATOM 0 HG3 ARG A 74 -18.207 9.155 7.254 1.00 1.17 H new ATOM 0 HD2 ARG A 74 -19.393 9.695 4.788 1.00 1.64 H new ATOM 0 HD3 ARG A 74 -19.379 11.260 5.576 1.00 1.64 H new ATOM 0 HE ARG A 74 -16.923 9.562 5.241 1.00 2.05 H new ATOM 0 HH11 ARG A 74 -18.517 12.719 5.411 1.00 2.96 H new ATOM 0 HH12 ARG A 74 -17.049 13.601 4.976 1.00 2.96 H new ATOM 0 HH21 ARG A 74 -15.079 10.685 4.664 1.00 3.29 H new ATOM 0 HH22 ARG A 74 -15.102 12.448 4.554 1.00 3.29 H new ATOM 1263 N ASN A 75 -21.716 7.743 4.492 1.00 0.49 N ATOM 1264 CA ASN A 75 -22.417 7.911 3.225 1.00 0.47 C ATOM 1265 C ASN A 75 -21.875 9.095 2.440 1.00 0.48 C ATOM 1266 O ASN A 75 -22.027 10.247 2.846 1.00 0.56 O ATOM 1267 CB ASN A 75 -23.918 8.080 3.469 1.00 0.52 C ATOM 1268 CG ASN A 75 -24.646 6.752 3.510 1.00 0.52 C ATOM 1269 OD1 ASN A 75 -25.184 6.301 2.504 1.00 0.72 O ATOM 1270 ND2 ASN A 75 -24.648 6.100 4.659 1.00 0.51 N ATOM 0 H ASN A 75 -22.318 7.825 5.311 1.00 0.49 H new ATOM 0 HA ASN A 75 -22.250 7.013 2.630 1.00 0.47 H new ATOM 0 HB2 ASN A 75 -24.074 8.607 4.410 1.00 0.52 H new ATOM 0 HB3 ASN A 75 -24.344 8.702 2.682 1.00 0.52 H new ATOM 0 HD21 ASN A 75 -25.107 5.192 4.729 1.00 0.51 H new ATOM 0 HD22 ASN A 75 -24.191 6.505 5.476 1.00 0.51 H new ATOM 1277 N GLY A 76 -21.234 8.797 1.320 1.00 0.45 N ATOM 1278 CA GLY A 76 -20.687 9.838 0.481 1.00 0.51 C ATOM 1279 C GLY A 76 -19.174 9.803 0.416 1.00 0.47 C ATOM 1280 O GLY A 76 -18.569 10.519 -0.386 1.00 0.55 O ATOM 0 H GLY A 76 -21.083 7.848 0.978 1.00 0.45 H new ATOM 0 HA2 GLY A 76 -21.092 9.738 -0.526 1.00 0.51 H new ATOM 0 HA3 GLY A 76 -21.008 10.809 0.858 1.00 0.51 H new ATOM 1284 N ASP A 77 -18.551 8.980 1.256 1.00 0.42 N ATOM 1285 CA ASP A 77 -17.099 8.895 1.288 1.00 0.42 C ATOM 1286 C ASP A 77 -16.596 8.039 0.133 1.00 0.38 C ATOM 1287 O ASP A 77 -17.289 7.125 -0.324 1.00 0.40 O ATOM 1288 CB ASP A 77 -16.626 8.307 2.618 1.00 0.44 C ATOM 1289 CG ASP A 77 -15.293 8.879 3.062 1.00 0.74 C ATOM 1290 OD1 ASP A 77 -14.483 9.236 2.184 1.00 1.05 O ATOM 1291 OD2 ASP A 77 -15.038 8.949 4.283 1.00 1.00 O ATOM 0 H ASP A 77 -19.028 8.368 1.918 1.00 0.42 H new ATOM 0 HA ASP A 77 -16.693 9.901 1.187 1.00 0.42 H new ATOM 0 HB2 ASP A 77 -17.375 8.502 3.385 1.00 0.44 H new ATOM 0 HB3 ASP A 77 -16.540 7.224 2.524 1.00 0.44 H new ATOM 1296 N THR A 78 -15.404 8.342 -0.343 1.00 0.36 N ATOM 1297 CA THR A 78 -14.808 7.600 -1.436 1.00 0.35 C ATOM 1298 C THR A 78 -13.780 6.606 -0.906 1.00 0.31 C ATOM 1299 O THR A 78 -12.914 6.956 -0.102 1.00 0.34 O ATOM 1300 CB THR A 78 -14.146 8.556 -2.452 1.00 0.42 C ATOM 1301 OG1 THR A 78 -15.121 9.483 -2.950 1.00 0.50 O ATOM 1302 CG2 THR A 78 -13.534 7.793 -3.619 1.00 0.42 C ATOM 0 H THR A 78 -14.826 9.103 0.014 1.00 0.36 H new ATOM 0 HA THR A 78 -15.600 7.051 -1.944 1.00 0.35 H new ATOM 0 HB THR A 78 -13.348 9.091 -1.937 1.00 0.42 H new ATOM 0 HG1 THR A 78 -14.697 10.089 -3.593 1.00 0.50 H new ATOM 0 HG21 THR A 78 -13.077 8.497 -4.314 1.00 0.42 H new ATOM 0 HG22 THR A 78 -12.774 7.106 -3.246 1.00 0.42 H new ATOM 0 HG23 THR A 78 -14.312 7.229 -4.133 1.00 0.42 H new ATOM 1310 N MET A 79 -13.871 5.369 -1.365 1.00 0.27 N ATOM 1311 CA MET A 79 -12.984 4.318 -0.912 1.00 0.27 C ATOM 1312 C MET A 79 -12.319 3.670 -2.118 1.00 0.28 C ATOM 1313 O MET A 79 -12.975 3.030 -2.935 1.00 0.27 O ATOM 1314 CB MET A 79 -13.757 3.277 -0.099 1.00 0.23 C ATOM 1315 CG MET A 79 -12.866 2.423 0.785 1.00 0.27 C ATOM 1316 SD MET A 79 -13.784 1.188 1.721 1.00 0.65 S ATOM 1317 CE MET A 79 -14.341 0.113 0.405 1.00 0.24 C ATOM 0 H MET A 79 -14.558 5.069 -2.057 1.00 0.27 H new ATOM 0 HA MET A 79 -12.218 4.746 -0.266 1.00 0.27 H new ATOM 0 HB2 MET A 79 -14.494 3.786 0.523 1.00 0.23 H new ATOM 0 HB3 MET A 79 -14.308 2.630 -0.781 1.00 0.23 H new ATOM 0 HG2 MET A 79 -12.121 1.923 0.166 1.00 0.27 H new ATOM 0 HG3 MET A 79 -12.324 3.068 1.477 1.00 0.27 H new ATOM 0 HE1 MET A 79 -14.419 -0.908 0.778 1.00 0.24 H new ATOM 0 HE2 MET A 79 -15.317 0.446 0.052 1.00 0.24 H new ATOM 0 HE3 MET A 79 -13.627 0.146 -0.418 1.00 0.24 H new ATOM 1327 N GLU A 80 -11.019 3.858 -2.225 1.00 0.32 N ATOM 1328 CA GLU A 80 -10.266 3.383 -3.372 1.00 0.35 C ATOM 1329 C GLU A 80 -9.971 1.906 -3.208 1.00 0.33 C ATOM 1330 O GLU A 80 -9.439 1.484 -2.178 1.00 0.33 O ATOM 1331 CB GLU A 80 -8.959 4.172 -3.466 1.00 0.40 C ATOM 1332 CG GLU A 80 -8.463 4.430 -4.881 1.00 0.53 C ATOM 1333 CD GLU A 80 -7.556 3.353 -5.431 1.00 0.69 C ATOM 1334 OE1 GLU A 80 -6.366 3.320 -5.074 1.00 1.04 O ATOM 1335 OE2 GLU A 80 -8.061 2.493 -6.183 1.00 1.04 O ATOM 0 H GLU A 80 -10.456 4.341 -1.525 1.00 0.32 H new ATOM 0 HA GLU A 80 -10.845 3.527 -4.284 1.00 0.35 H new ATOM 0 HB2 GLU A 80 -9.094 5.130 -2.964 1.00 0.40 H new ATOM 0 HB3 GLU A 80 -8.186 3.632 -2.919 1.00 0.40 H new ATOM 0 HG2 GLU A 80 -9.324 4.535 -5.541 1.00 0.53 H new ATOM 0 HG3 GLU A 80 -7.930 5.381 -4.898 1.00 0.53 H new ATOM 1342 N TYR A 81 -10.313 1.107 -4.199 1.00 0.33 N ATOM 1343 CA TYR A 81 -9.973 -0.291 -4.154 1.00 0.33 C ATOM 1344 C TYR A 81 -8.724 -0.505 -4.977 1.00 0.36 C ATOM 1345 O TYR A 81 -8.763 -0.548 -6.206 1.00 0.39 O ATOM 1346 CB TYR A 81 -11.119 -1.164 -4.672 1.00 0.33 C ATOM 1347 CG TYR A 81 -10.917 -2.644 -4.418 1.00 0.33 C ATOM 1348 CD1 TYR A 81 -11.337 -3.234 -3.233 1.00 0.34 C ATOM 1349 CD2 TYR A 81 -10.306 -3.453 -5.369 1.00 0.37 C ATOM 1350 CE1 TYR A 81 -11.152 -4.583 -3.003 1.00 0.36 C ATOM 1351 CE2 TYR A 81 -10.119 -4.803 -5.146 1.00 0.39 C ATOM 1352 CZ TYR A 81 -10.549 -5.360 -3.941 1.00 0.38 C ATOM 1353 OH TYR A 81 -10.360 -6.708 -3.739 1.00 0.42 O ATOM 0 H TYR A 81 -10.820 1.402 -5.034 1.00 0.33 H new ATOM 0 HA TYR A 81 -9.794 -0.584 -3.120 1.00 0.33 H new ATOM 0 HB2 TYR A 81 -12.049 -0.846 -4.200 1.00 0.33 H new ATOM 0 HB3 TYR A 81 -11.234 -1.000 -5.743 1.00 0.33 H new ATOM 0 HD1 TYR A 81 -11.816 -2.628 -2.479 1.00 0.34 H new ATOM 0 HD2 TYR A 81 -9.971 -3.018 -6.299 1.00 0.37 H new ATOM 0 HE1 TYR A 81 -11.487 -5.022 -2.075 1.00 0.36 H new ATOM 0 HE2 TYR A 81 -9.646 -5.420 -5.895 1.00 0.39 H new ATOM 0 HH TYR A 81 -10.722 -6.962 -2.865 1.00 0.42 H new ATOM 1363 N ARG A 82 -7.621 -0.643 -4.285 1.00 0.37 N ATOM 1364 CA ARG A 82 -6.336 -0.776 -4.937 1.00 0.39 C ATOM 1365 C ARG A 82 -5.596 -1.987 -4.417 1.00 0.40 C ATOM 1366 O ARG A 82 -5.994 -2.604 -3.423 1.00 0.42 O ATOM 1367 CB ARG A 82 -5.476 0.474 -4.747 1.00 0.42 C ATOM 1368 CG ARG A 82 -5.265 0.864 -3.297 1.00 0.44 C ATOM 1369 CD ARG A 82 -4.240 1.979 -3.169 1.00 0.56 C ATOM 1370 NE ARG A 82 -2.872 1.512 -3.404 1.00 0.65 N ATOM 1371 CZ ARG A 82 -1.824 2.324 -3.556 1.00 0.88 C ATOM 1372 NH1 ARG A 82 -1.994 3.641 -3.614 1.00 1.08 N ATOM 1373 NH2 ARG A 82 -0.603 1.818 -3.671 1.00 1.03 N ATOM 0 H ARG A 82 -7.584 -0.667 -3.266 1.00 0.37 H new ATOM 0 HA ARG A 82 -6.526 -0.901 -6.003 1.00 0.39 H new ATOM 0 HB2 ARG A 82 -4.505 0.308 -5.213 1.00 0.42 H new ATOM 0 HB3 ARG A 82 -5.943 1.307 -5.272 1.00 0.42 H new ATOM 0 HG2 ARG A 82 -6.212 1.186 -2.863 1.00 0.44 H new ATOM 0 HG3 ARG A 82 -4.933 -0.005 -2.729 1.00 0.44 H new ATOM 0 HD2 ARG A 82 -4.478 2.770 -3.880 1.00 0.56 H new ATOM 0 HD3 ARG A 82 -4.305 2.416 -2.172 1.00 0.56 H new ATOM 0 HE ARG A 82 -2.711 0.506 -3.455 1.00 0.65 H new ATOM 0 HH11 ARG A 82 -2.931 4.038 -3.542 1.00 1.08 H new ATOM 0 HH12 ARG A 82 -1.188 4.255 -3.730 1.00 1.08 H new ATOM 0 HH21 ARG A 82 -0.465 0.808 -3.643 1.00 1.03 H new ATOM 0 HH22 ARG A 82 0.198 2.439 -3.787 1.00 1.03 H new ATOM 1387 N LYS A 83 -4.527 -2.327 -5.102 1.00 0.43 N ATOM 1388 CA LYS A 83 -3.666 -3.408 -4.685 1.00 0.45 C ATOM 1389 C LYS A 83 -3.023 -3.030 -3.354 1.00 0.42 C ATOM 1390 O LYS A 83 -2.543 -1.907 -3.202 1.00 0.42 O ATOM 1391 CB LYS A 83 -2.611 -3.646 -5.772 1.00 0.53 C ATOM 1392 CG LYS A 83 -1.926 -5.000 -5.723 1.00 0.60 C ATOM 1393 CD LYS A 83 -1.085 -5.214 -6.971 1.00 0.70 C ATOM 1394 CE LYS A 83 -0.371 -6.556 -6.977 1.00 1.25 C ATOM 1395 NZ LYS A 83 -1.306 -7.690 -7.188 1.00 1.74 N ATOM 0 H LYS A 83 -4.232 -1.863 -5.961 1.00 0.43 H new ATOM 0 HA LYS A 83 -4.229 -4.331 -4.547 1.00 0.45 H new ATOM 0 HB2 LYS A 83 -3.085 -3.532 -6.747 1.00 0.53 H new ATOM 0 HB3 LYS A 83 -1.851 -2.869 -5.694 1.00 0.53 H new ATOM 0 HG2 LYS A 83 -1.295 -5.064 -4.836 1.00 0.60 H new ATOM 0 HG3 LYS A 83 -2.673 -5.790 -5.640 1.00 0.60 H new ATOM 0 HD2 LYS A 83 -1.724 -5.144 -7.851 1.00 0.70 H new ATOM 0 HD3 LYS A 83 -0.348 -4.415 -7.048 1.00 0.70 H new ATOM 0 HE2 LYS A 83 0.384 -6.560 -7.763 1.00 1.25 H new ATOM 0 HE3 LYS A 83 0.153 -6.691 -6.031 1.00 1.25 H new ATOM 0 HZ1 LYS A 83 -0.966 -8.522 -6.665 1.00 1.74 H new ATOM 0 HZ2 LYS A 83 -2.252 -7.428 -6.845 1.00 1.74 H new ATOM 0 HZ3 LYS A 83 -1.356 -7.915 -8.202 1.00 1.74 H new ATOM 1409 N LYS A 84 -3.046 -3.953 -2.392 1.00 0.44 N ATOM 1410 CA LYS A 84 -2.477 -3.717 -1.062 1.00 0.46 C ATOM 1411 C LYS A 84 -1.013 -3.343 -1.160 1.00 0.46 C ATOM 1412 O LYS A 84 -0.448 -2.738 -0.252 1.00 0.52 O ATOM 1413 CB LYS A 84 -2.616 -4.962 -0.181 1.00 0.54 C ATOM 1414 CG LYS A 84 -3.953 -5.079 0.524 1.00 0.55 C ATOM 1415 CD LYS A 84 -4.167 -3.936 1.501 1.00 0.66 C ATOM 1416 CE LYS A 84 -4.261 -4.428 2.939 1.00 0.67 C ATOM 1417 NZ LYS A 84 -3.040 -5.164 3.368 1.00 1.32 N ATOM 0 H LYS A 84 -3.456 -4.879 -2.510 1.00 0.44 H new ATOM 0 HA LYS A 84 -3.030 -2.893 -0.612 1.00 0.46 H new ATOM 0 HB2 LYS A 84 -2.464 -5.848 -0.797 1.00 0.54 H new ATOM 0 HB3 LYS A 84 -1.823 -4.954 0.567 1.00 0.54 H new ATOM 0 HG2 LYS A 84 -4.756 -5.084 -0.214 1.00 0.55 H new ATOM 0 HG3 LYS A 84 -4.003 -6.029 1.056 1.00 0.55 H new ATOM 0 HD2 LYS A 84 -3.345 -3.225 1.414 1.00 0.66 H new ATOM 0 HD3 LYS A 84 -5.080 -3.401 1.240 1.00 0.66 H new ATOM 0 HE2 LYS A 84 -4.421 -3.577 3.601 1.00 0.67 H new ATOM 0 HE3 LYS A 84 -5.129 -5.079 3.041 1.00 0.67 H new ATOM 0 HZ1 LYS A 84 -3.173 -5.522 4.335 1.00 1.32 H new ATOM 0 HZ2 LYS A 84 -2.871 -5.962 2.723 1.00 1.32 H new ATOM 0 HZ3 LYS A 84 -2.222 -4.522 3.346 1.00 1.32 H new ATOM 1431 N GLN A 85 -0.412 -3.725 -2.267 1.00 0.44 N ATOM 1432 CA GLN A 85 0.982 -3.461 -2.522 1.00 0.47 C ATOM 1433 C GLN A 85 1.157 -2.099 -3.170 1.00 0.52 C ATOM 1434 O GLN A 85 0.291 -1.225 -3.078 1.00 0.83 O ATOM 1435 CB GLN A 85 1.557 -4.543 -3.439 1.00 0.53 C ATOM 1436 CG GLN A 85 0.870 -5.887 -3.298 1.00 0.50 C ATOM 1437 CD GLN A 85 1.737 -7.047 -3.726 1.00 0.64 C ATOM 1438 OE1 GLN A 85 1.751 -7.431 -4.894 1.00 1.10 O ATOM 1439 NE2 GLN A 85 2.457 -7.621 -2.779 1.00 0.72 N ATOM 0 H GLN A 85 -0.883 -4.230 -3.018 1.00 0.44 H new ATOM 0 HA GLN A 85 1.515 -3.469 -1.571 1.00 0.47 H new ATOM 0 HB2 GLN A 85 1.477 -4.210 -4.474 1.00 0.53 H new ATOM 0 HB3 GLN A 85 2.619 -4.663 -3.224 1.00 0.53 H new ATOM 0 HG2 GLN A 85 0.573 -6.028 -2.259 1.00 0.50 H new ATOM 0 HG3 GLN A 85 -0.043 -5.885 -3.894 1.00 0.50 H new ATOM 0 HE21 GLN A 85 2.415 -7.269 -1.822 1.00 0.72 H new ATOM 0 HE22 GLN A 85 3.055 -8.416 -3.004 1.00 0.72 H new ATOM 1448 N ARG A 86 2.268 -1.951 -3.864 1.00 0.50 N ATOM 1449 CA ARG A 86 2.644 -0.700 -4.478 1.00 0.52 C ATOM 1450 C ARG A 86 3.940 -0.892 -5.243 1.00 0.50 C ATOM 1451 O ARG A 86 4.813 -1.646 -4.809 1.00 0.53 O ATOM 1452 CB ARG A 86 2.756 0.429 -3.439 1.00 0.67 C ATOM 1453 CG ARG A 86 3.397 0.045 -2.109 1.00 0.85 C ATOM 1454 CD ARG A 86 4.914 -0.007 -2.169 1.00 0.98 C ATOM 1455 NE ARG A 86 5.483 1.134 -2.892 1.00 1.13 N ATOM 1456 CZ ARG A 86 5.350 2.419 -2.535 1.00 1.24 C ATOM 1457 NH1 ARG A 86 4.645 2.773 -1.463 1.00 1.62 N ATOM 1458 NH2 ARG A 86 5.930 3.357 -3.273 1.00 1.85 N ATOM 0 H ARG A 86 2.939 -2.704 -4.017 1.00 0.50 H new ATOM 0 HA ARG A 86 1.864 -0.396 -5.176 1.00 0.52 H new ATOM 0 HB2 ARG A 86 3.332 1.244 -3.877 1.00 0.67 H new ATOM 0 HB3 ARG A 86 1.756 0.816 -3.241 1.00 0.67 H new ATOM 0 HG2 ARG A 86 3.094 0.763 -1.347 1.00 0.85 H new ATOM 0 HG3 ARG A 86 3.018 -0.929 -1.798 1.00 0.85 H new ATOM 0 HD2 ARG A 86 5.315 -0.028 -1.156 1.00 0.98 H new ATOM 0 HD3 ARG A 86 5.224 -0.933 -2.654 1.00 0.98 H new ATOM 0 HE ARG A 86 6.023 0.934 -3.734 1.00 1.13 H new ATOM 0 HH11 ARG A 86 4.191 2.059 -0.893 1.00 1.62 H new ATOM 0 HH12 ARG A 86 4.559 3.758 -1.212 1.00 1.62 H new ATOM 0 HH21 ARG A 86 6.468 3.096 -4.099 1.00 1.85 H new ATOM 0 HH22 ARG A 86 5.838 4.339 -3.014 1.00 1.85 H new ATOM 1472 N PRO A 87 4.063 -0.263 -6.416 1.00 0.52 N ATOM 1473 CA PRO A 87 5.262 -0.376 -7.238 1.00 0.52 C ATOM 1474 C PRO A 87 6.469 0.225 -6.539 1.00 0.53 C ATOM 1475 O PRO A 87 6.521 1.428 -6.280 1.00 0.62 O ATOM 1476 CB PRO A 87 4.922 0.415 -8.509 1.00 0.57 C ATOM 1477 CG PRO A 87 3.440 0.574 -8.491 1.00 0.86 C ATOM 1478 CD PRO A 87 3.045 0.593 -7.043 1.00 0.60 C ATOM 0 HA PRO A 87 5.524 -1.414 -7.444 1.00 0.52 H new ATOM 0 HB2 PRO A 87 5.421 1.384 -8.514 1.00 0.57 H new ATOM 0 HB3 PRO A 87 5.249 -0.117 -9.402 1.00 0.57 H new ATOM 0 HG2 PRO A 87 3.140 1.496 -8.990 1.00 0.86 H new ATOM 0 HG3 PRO A 87 2.953 -0.246 -9.018 1.00 0.86 H new ATOM 0 HD2 PRO A 87 3.058 1.603 -6.634 1.00 0.60 H new ATOM 0 HD3 PRO A 87 2.039 0.201 -6.893 1.00 0.60 H new ATOM 1486 N LEU A 88 7.410 -0.623 -6.177 1.00 0.50 N ATOM 1487 CA LEU A 88 8.634 -0.160 -5.563 1.00 0.53 C ATOM 1488 C LEU A 88 9.744 -0.081 -6.589 1.00 0.44 C ATOM 1489 O LEU A 88 10.168 -1.093 -7.147 1.00 0.42 O ATOM 1490 CB LEU A 88 9.030 -1.065 -4.400 1.00 0.63 C ATOM 1491 CG LEU A 88 8.262 -0.809 -3.105 1.00 0.88 C ATOM 1492 CD1 LEU A 88 8.484 -1.943 -2.131 1.00 1.19 C ATOM 1493 CD2 LEU A 88 8.691 0.511 -2.481 1.00 1.51 C ATOM 0 H LEU A 88 7.349 -1.634 -6.298 1.00 0.50 H new ATOM 0 HA LEU A 88 8.464 0.841 -5.167 1.00 0.53 H new ATOM 0 HB2 LEU A 88 8.880 -2.103 -4.697 1.00 0.63 H new ATOM 0 HB3 LEU A 88 10.095 -0.940 -4.206 1.00 0.63 H new ATOM 0 HG LEU A 88 7.199 -0.751 -3.341 1.00 0.88 H new ATOM 0 HD11 LEU A 88 7.931 -1.747 -1.212 1.00 1.19 H new ATOM 0 HD12 LEU A 88 8.135 -2.876 -2.573 1.00 1.19 H new ATOM 0 HD13 LEU A 88 9.547 -2.025 -1.904 1.00 1.19 H new ATOM 0 HD21 LEU A 88 8.133 0.676 -1.559 1.00 1.51 H new ATOM 0 HD22 LEU A 88 9.758 0.479 -2.259 1.00 1.51 H new ATOM 0 HD23 LEU A 88 8.490 1.325 -3.178 1.00 1.51 H new ATOM 1505 N LYS A 89 10.185 1.135 -6.842 1.00 0.44 N ATOM 1506 CA LYS A 89 11.304 1.387 -7.727 1.00 0.42 C ATOM 1507 C LYS A 89 12.587 1.241 -6.926 1.00 0.39 C ATOM 1508 O LYS A 89 12.935 2.126 -6.160 1.00 0.42 O ATOM 1509 CB LYS A 89 11.196 2.805 -8.293 1.00 0.51 C ATOM 1510 CG LYS A 89 9.847 3.117 -8.922 1.00 0.69 C ATOM 1511 CD LYS A 89 9.669 2.417 -10.255 1.00 0.93 C ATOM 1512 CE LYS A 89 10.510 3.072 -11.337 1.00 1.49 C ATOM 1513 NZ LYS A 89 10.411 2.345 -12.630 1.00 2.11 N ATOM 0 H LYS A 89 9.776 1.978 -6.439 1.00 0.44 H new ATOM 0 HA LYS A 89 11.303 0.679 -8.556 1.00 0.42 H new ATOM 0 HB2 LYS A 89 11.387 3.520 -7.493 1.00 0.51 H new ATOM 0 HB3 LYS A 89 11.976 2.947 -9.041 1.00 0.51 H new ATOM 0 HG2 LYS A 89 9.051 2.812 -8.243 1.00 0.69 H new ATOM 0 HG3 LYS A 89 9.752 4.194 -9.062 1.00 0.69 H new ATOM 0 HD2 LYS A 89 9.949 1.368 -10.158 1.00 0.93 H new ATOM 0 HD3 LYS A 89 8.618 2.441 -10.544 1.00 0.93 H new ATOM 0 HE2 LYS A 89 10.186 4.104 -11.474 1.00 1.49 H new ATOM 0 HE3 LYS A 89 11.552 3.105 -11.018 1.00 1.49 H new ATOM 0 HZ1 LYS A 89 10.999 2.823 -13.343 1.00 2.11 H new ATOM 0 HZ2 LYS A 89 10.744 1.368 -12.505 1.00 2.11 H new ATOM 0 HZ3 LYS A 89 9.421 2.335 -12.948 1.00 2.11 H new ATOM 1527 N ILE A 90 13.282 0.134 -7.095 1.00 0.36 N ATOM 1528 CA ILE A 90 14.386 -0.201 -6.206 1.00 0.33 C ATOM 1529 C ILE A 90 15.682 -0.339 -6.989 1.00 0.35 C ATOM 1530 O ILE A 90 15.709 -0.992 -8.032 1.00 0.36 O ATOM 1531 CB ILE A 90 14.111 -1.523 -5.447 1.00 0.32 C ATOM 1532 CG1 ILE A 90 12.810 -1.431 -4.643 1.00 0.35 C ATOM 1533 CG2 ILE A 90 15.276 -1.870 -4.529 1.00 0.33 C ATOM 1534 CD1 ILE A 90 12.835 -0.384 -3.550 1.00 0.36 C ATOM 0 H ILE A 90 13.107 -0.548 -7.833 1.00 0.36 H new ATOM 0 HA ILE A 90 14.480 0.610 -5.484 1.00 0.33 H new ATOM 0 HB ILE A 90 14.003 -2.317 -6.185 1.00 0.32 H new ATOM 0 HG12 ILE A 90 11.988 -1.211 -5.325 1.00 0.35 H new ATOM 0 HG13 ILE A 90 12.601 -2.403 -4.196 1.00 0.35 H new ATOM 0 HG21 ILE A 90 15.062 -2.802 -4.006 1.00 0.33 H new ATOM 0 HG22 ILE A 90 16.184 -1.987 -5.121 1.00 0.33 H new ATOM 0 HG23 ILE A 90 15.417 -1.070 -3.802 1.00 0.33 H new ATOM 0 HD11 ILE A 90 11.879 -0.381 -3.027 1.00 0.36 H new ATOM 0 HD12 ILE A 90 13.633 -0.614 -2.844 1.00 0.36 H new ATOM 0 HD13 ILE A 90 13.011 0.597 -3.990 1.00 0.36 H new ATOM 1546 N ARG A 91 16.752 0.277 -6.500 1.00 0.38 N ATOM 1547 CA ARG A 91 18.058 0.113 -7.112 1.00 0.43 C ATOM 1548 C ARG A 91 18.937 -0.736 -6.198 1.00 0.42 C ATOM 1549 O ARG A 91 19.115 -0.415 -5.023 1.00 0.44 O ATOM 1550 CB ARG A 91 18.723 1.469 -7.363 1.00 0.52 C ATOM 1551 CG ARG A 91 19.910 1.387 -8.312 1.00 0.57 C ATOM 1552 CD ARG A 91 20.571 2.742 -8.516 1.00 0.74 C ATOM 1553 NE ARG A 91 19.640 3.731 -9.055 1.00 0.72 N ATOM 1554 CZ ARG A 91 19.624 4.133 -10.326 1.00 1.09 C ATOM 1555 NH1 ARG A 91 20.497 3.646 -11.199 1.00 1.82 N ATOM 1556 NH2 ARG A 91 18.742 5.041 -10.719 1.00 1.12 N ATOM 0 H ARG A 91 16.738 0.891 -5.686 1.00 0.38 H new ATOM 0 HA ARG A 91 17.934 -0.384 -8.074 1.00 0.43 H new ATOM 0 HB2 ARG A 91 17.985 2.158 -7.773 1.00 0.52 H new ATOM 0 HB3 ARG A 91 19.054 1.886 -6.412 1.00 0.52 H new ATOM 0 HG2 ARG A 91 20.642 0.682 -7.917 1.00 0.57 H new ATOM 0 HG3 ARG A 91 19.579 0.997 -9.274 1.00 0.57 H new ATOM 0 HD2 ARG A 91 20.968 3.098 -7.565 1.00 0.74 H new ATOM 0 HD3 ARG A 91 21.417 2.634 -9.194 1.00 0.74 H new ATOM 0 HE ARG A 91 18.958 4.141 -8.417 1.00 0.72 H new ATOM 0 HH11 ARG A 91 21.188 2.958 -10.900 1.00 1.82 H new ATOM 0 HH12 ARG A 91 20.477 3.960 -12.169 1.00 1.82 H new ATOM 0 HH21 ARG A 91 18.078 5.430 -10.050 1.00 1.12 H new ATOM 0 HH22 ARG A 91 18.727 5.351 -11.691 1.00 1.12 H new ATOM 1570 N MET A 92 19.459 -1.824 -6.739 1.00 0.42 N ATOM 1571 CA MET A 92 20.287 -2.754 -5.982 1.00 0.44 C ATOM 1572 C MET A 92 21.732 -2.277 -5.910 1.00 0.48 C ATOM 1573 O MET A 92 22.108 -1.326 -6.594 1.00 0.51 O ATOM 1574 CB MET A 92 20.219 -4.137 -6.629 1.00 0.46 C ATOM 1575 CG MET A 92 19.222 -5.082 -5.976 1.00 0.57 C ATOM 1576 SD MET A 92 17.667 -4.294 -5.521 1.00 1.04 S ATOM 1577 CE MET A 92 16.962 -3.984 -7.134 1.00 0.34 C ATOM 0 H MET A 92 19.322 -2.089 -7.714 1.00 0.42 H new ATOM 0 HA MET A 92 19.905 -2.807 -4.963 1.00 0.44 H new ATOM 0 HB2 MET A 92 19.958 -4.021 -7.681 1.00 0.46 H new ATOM 0 HB3 MET A 92 21.209 -4.591 -6.595 1.00 0.46 H new ATOM 0 HG2 MET A 92 19.015 -5.906 -6.659 1.00 0.57 H new ATOM 0 HG3 MET A 92 19.675 -5.514 -5.084 1.00 0.57 H new ATOM 0 HE1 MET A 92 16.010 -3.466 -7.021 1.00 0.34 H new ATOM 0 HE2 MET A 92 17.645 -3.366 -7.717 1.00 0.34 H new ATOM 0 HE3 MET A 92 16.801 -4.931 -7.649 1.00 0.34 H new ATOM 1587 N LEU A 93 22.536 -2.991 -5.116 1.00 0.49 N ATOM 1588 CA LEU A 93 23.895 -2.567 -4.755 1.00 0.55 C ATOM 1589 C LEU A 93 24.753 -2.281 -5.982 1.00 0.61 C ATOM 1590 O LEU A 93 25.542 -1.336 -5.993 1.00 0.69 O ATOM 1591 CB LEU A 93 24.606 -3.638 -3.906 1.00 0.57 C ATOM 1592 CG LEU A 93 23.936 -4.045 -2.584 1.00 0.57 C ATOM 1593 CD1 LEU A 93 23.357 -2.836 -1.866 1.00 0.68 C ATOM 1594 CD2 LEU A 93 22.871 -5.111 -2.811 1.00 0.79 C ATOM 0 H LEU A 93 22.263 -3.883 -4.703 1.00 0.49 H new ATOM 0 HA LEU A 93 23.781 -1.649 -4.179 1.00 0.55 H new ATOM 0 HB2 LEU A 93 24.719 -4.533 -4.517 1.00 0.57 H new ATOM 0 HB3 LEU A 93 25.610 -3.278 -3.679 1.00 0.57 H new ATOM 0 HG LEU A 93 24.705 -4.475 -1.943 1.00 0.57 H new ATOM 0 HD11 LEU A 93 22.890 -3.155 -0.934 1.00 0.68 H new ATOM 0 HD12 LEU A 93 24.155 -2.126 -1.647 1.00 0.68 H new ATOM 0 HD13 LEU A 93 22.611 -2.359 -2.501 1.00 0.68 H new ATOM 0 HD21 LEU A 93 22.415 -5.378 -1.858 1.00 0.79 H new ATOM 0 HD22 LEU A 93 22.106 -4.723 -3.483 1.00 0.79 H new ATOM 0 HD23 LEU A 93 23.330 -5.995 -3.254 1.00 0.79 H new ATOM 1606 N ASP A 94 24.602 -3.102 -7.008 1.00 0.61 N ATOM 1607 CA ASP A 94 25.417 -2.972 -8.210 1.00 0.69 C ATOM 1608 C ASP A 94 24.835 -1.920 -9.147 1.00 0.66 C ATOM 1609 O ASP A 94 25.441 -1.570 -10.160 1.00 0.70 O ATOM 1610 CB ASP A 94 25.533 -4.316 -8.931 1.00 0.76 C ATOM 1611 CG ASP A 94 24.254 -4.721 -9.631 1.00 1.47 C ATOM 1612 OD1 ASP A 94 23.170 -4.620 -9.015 1.00 1.93 O ATOM 1613 OD2 ASP A 94 24.325 -5.156 -10.797 1.00 2.26 O ATOM 0 H ASP A 94 23.925 -3.865 -7.035 1.00 0.61 H new ATOM 0 HA ASP A 94 26.414 -2.652 -7.908 1.00 0.69 H new ATOM 0 HB2 ASP A 94 26.340 -4.262 -9.662 1.00 0.76 H new ATOM 0 HB3 ASP A 94 25.807 -5.087 -8.210 1.00 0.76 H new ATOM 1618 N GLY A 95 23.662 -1.415 -8.798 1.00 0.61 N ATOM 1619 CA GLY A 95 23.034 -0.383 -9.591 1.00 0.61 C ATOM 1620 C GLY A 95 21.861 -0.903 -10.388 1.00 0.58 C ATOM 1621 O GLY A 95 21.303 -0.189 -11.223 1.00 0.64 O ATOM 0 H GLY A 95 23.133 -1.704 -7.975 1.00 0.61 H new ATOM 0 HA2 GLY A 95 22.697 0.420 -8.936 1.00 0.61 H new ATOM 0 HA3 GLY A 95 23.769 0.047 -10.271 1.00 0.61 H new ATOM 1625 N THR A 96 21.473 -2.144 -10.132 1.00 0.54 N ATOM 1626 CA THR A 96 20.388 -2.766 -10.881 1.00 0.54 C ATOM 1627 C THR A 96 19.046 -2.268 -10.381 1.00 0.47 C ATOM 1628 O THR A 96 18.750 -2.357 -9.196 1.00 0.47 O ATOM 1629 CB THR A 96 20.430 -4.304 -10.766 1.00 0.62 C ATOM 1630 OG1 THR A 96 21.676 -4.795 -11.269 1.00 0.81 O ATOM 1631 CG2 THR A 96 19.285 -4.948 -11.536 1.00 0.61 C ATOM 0 H THR A 96 21.890 -2.738 -9.416 1.00 0.54 H new ATOM 0 HA THR A 96 20.517 -2.490 -11.928 1.00 0.54 H new ATOM 0 HB THR A 96 20.326 -4.565 -9.713 1.00 0.62 H new ATOM 0 HG1 THR A 96 21.698 -5.772 -11.192 1.00 0.81 H new ATOM 0 HG21 THR A 96 19.343 -6.032 -11.435 1.00 0.61 H new ATOM 0 HG22 THR A 96 18.334 -4.597 -11.136 1.00 0.61 H new ATOM 0 HG23 THR A 96 19.357 -4.677 -12.589 1.00 0.61 H new ATOM 1639 N VAL A 97 18.235 -1.745 -11.278 1.00 0.45 N ATOM 1640 CA VAL A 97 16.930 -1.252 -10.890 1.00 0.41 C ATOM 1641 C VAL A 97 15.867 -2.261 -11.233 1.00 0.38 C ATOM 1642 O VAL A 97 15.857 -2.819 -12.333 1.00 0.41 O ATOM 1643 CB VAL A 97 16.574 0.075 -11.578 1.00 0.50 C ATOM 1644 CG1 VAL A 97 15.262 0.635 -11.044 1.00 1.07 C ATOM 1645 CG2 VAL A 97 17.684 1.069 -11.391 1.00 1.11 C ATOM 0 H VAL A 97 18.453 -1.651 -12.270 1.00 0.45 H new ATOM 0 HA VAL A 97 16.972 -1.084 -9.814 1.00 0.41 H new ATOM 0 HB VAL A 97 16.448 -0.117 -12.644 1.00 0.50 H new ATOM 0 HG11 VAL A 97 15.035 1.574 -11.549 1.00 1.07 H new ATOM 0 HG12 VAL A 97 14.460 -0.079 -11.229 1.00 1.07 H new ATOM 0 HG13 VAL A 97 15.351 0.811 -9.972 1.00 1.07 H new ATOM 0 HG21 VAL A 97 17.421 2.005 -11.883 1.00 1.11 H new ATOM 0 HG22 VAL A 97 17.836 1.248 -10.327 1.00 1.11 H new ATOM 0 HG23 VAL A 97 18.602 0.676 -11.828 1.00 1.11 H new ATOM 1655 N LYS A 98 14.982 -2.499 -10.297 1.00 0.35 N ATOM 1656 CA LYS A 98 13.815 -3.281 -10.599 1.00 0.35 C ATOM 1657 C LYS A 98 12.596 -2.681 -9.923 1.00 0.36 C ATOM 1658 O LYS A 98 12.723 -1.885 -8.994 1.00 0.37 O ATOM 1659 CB LYS A 98 13.972 -4.756 -10.202 1.00 0.38 C ATOM 1660 CG LYS A 98 13.879 -5.023 -8.705 1.00 0.41 C ATOM 1661 CD LYS A 98 13.668 -6.505 -8.402 1.00 0.43 C ATOM 1662 CE LYS A 98 12.284 -6.978 -8.830 1.00 0.43 C ATOM 1663 NZ LYS A 98 12.208 -7.305 -10.281 1.00 0.94 N ATOM 0 H LYS A 98 15.047 -2.167 -9.335 1.00 0.35 H new ATOM 0 HA LYS A 98 13.683 -3.256 -11.681 1.00 0.35 H new ATOM 0 HB2 LYS A 98 13.204 -5.339 -10.710 1.00 0.38 H new ATOM 0 HB3 LYS A 98 14.936 -5.115 -10.563 1.00 0.38 H new ATOM 0 HG2 LYS A 98 14.791 -4.679 -8.218 1.00 0.41 H new ATOM 0 HG3 LYS A 98 13.056 -4.446 -8.284 1.00 0.41 H new ATOM 0 HD2 LYS A 98 14.428 -7.093 -8.916 1.00 0.43 H new ATOM 0 HD3 LYS A 98 13.798 -6.680 -7.334 1.00 0.43 H new ATOM 0 HE2 LYS A 98 12.011 -7.859 -8.249 1.00 0.43 H new ATOM 0 HE3 LYS A 98 11.553 -6.204 -8.598 1.00 0.43 H new ATOM 0 HZ1 LYS A 98 11.613 -6.603 -10.764 1.00 0.94 H new ATOM 0 HZ2 LYS A 98 13.164 -7.290 -10.691 1.00 0.94 H new ATOM 0 HZ3 LYS A 98 11.794 -8.252 -10.402 1.00 0.94 H new ATOM 1677 N THR A 99 11.424 -3.042 -10.403 1.00 0.40 N ATOM 1678 CA THR A 99 10.191 -2.637 -9.769 1.00 0.44 C ATOM 1679 C THR A 99 9.389 -3.871 -9.373 1.00 0.47 C ATOM 1680 O THR A 99 9.112 -4.736 -10.207 1.00 0.58 O ATOM 1681 CB THR A 99 9.353 -1.743 -10.700 1.00 0.48 C ATOM 1682 OG1 THR A 99 10.158 -0.654 -11.174 1.00 0.50 O ATOM 1683 CG2 THR A 99 8.133 -1.206 -9.971 1.00 0.57 C ATOM 0 H THR A 99 11.301 -3.619 -11.235 1.00 0.40 H new ATOM 0 HA THR A 99 10.438 -2.059 -8.879 1.00 0.44 H new ATOM 0 HB THR A 99 9.013 -2.340 -11.547 1.00 0.48 H new ATOM 0 HG1 THR A 99 9.852 -0.384 -12.065 1.00 0.50 H new ATOM 0 HG21 THR A 99 7.554 -0.576 -10.646 1.00 0.57 H new ATOM 0 HG22 THR A 99 7.516 -2.038 -9.632 1.00 0.57 H new ATOM 0 HG23 THR A 99 8.453 -0.618 -9.111 1.00 0.57 H new ATOM 1691 N ILE A 100 9.053 -3.971 -8.100 1.00 0.42 N ATOM 1692 CA ILE A 100 8.308 -5.110 -7.593 1.00 0.44 C ATOM 1693 C ILE A 100 7.215 -4.610 -6.659 1.00 0.45 C ATOM 1694 O ILE A 100 7.378 -3.578 -6.005 1.00 0.45 O ATOM 1695 CB ILE A 100 9.252 -6.119 -6.880 1.00 0.48 C ATOM 1696 CG1 ILE A 100 8.532 -7.447 -6.575 1.00 0.61 C ATOM 1697 CG2 ILE A 100 9.844 -5.512 -5.611 1.00 0.48 C ATOM 1698 CD1 ILE A 100 7.858 -7.515 -5.218 1.00 0.50 C ATOM 0 H ILE A 100 9.286 -3.273 -7.394 1.00 0.42 H new ATOM 0 HA ILE A 100 7.846 -5.643 -8.424 1.00 0.44 H new ATOM 0 HB ILE A 100 10.073 -6.340 -7.562 1.00 0.48 H new ATOM 0 HG12 ILE A 100 7.781 -7.621 -7.346 1.00 0.61 H new ATOM 0 HG13 ILE A 100 9.255 -8.259 -6.646 1.00 0.61 H new ATOM 0 HG21 ILE A 100 10.500 -6.239 -5.132 1.00 0.48 H new ATOM 0 HG22 ILE A 100 10.416 -4.620 -5.867 1.00 0.48 H new ATOM 0 HG23 ILE A 100 9.039 -5.243 -4.927 1.00 0.48 H new ATOM 0 HD11 ILE A 100 7.380 -8.487 -5.098 1.00 0.50 H new ATOM 0 HD12 ILE A 100 8.603 -7.378 -4.434 1.00 0.50 H new ATOM 0 HD13 ILE A 100 7.106 -6.729 -5.145 1.00 0.50 H new ATOM 1710 N MET A 101 6.088 -5.302 -6.629 1.00 0.47 N ATOM 1711 CA MET A 101 4.968 -4.855 -5.826 1.00 0.50 C ATOM 1712 C MET A 101 4.984 -5.495 -4.452 1.00 0.50 C ATOM 1713 O MET A 101 4.843 -6.706 -4.297 1.00 0.52 O ATOM 1714 CB MET A 101 3.651 -5.149 -6.534 1.00 0.56 C ATOM 1715 CG MET A 101 3.526 -4.433 -7.862 1.00 0.64 C ATOM 1716 SD MET A 101 1.822 -4.074 -8.301 1.00 0.98 S ATOM 1717 CE MET A 101 1.410 -2.935 -6.982 1.00 0.59 C ATOM 0 H MET A 101 5.927 -6.166 -7.146 1.00 0.47 H new ATOM 0 HA MET A 101 5.062 -3.777 -5.695 1.00 0.50 H new ATOM 0 HB2 MET A 101 3.563 -6.223 -6.696 1.00 0.56 H new ATOM 0 HB3 MET A 101 2.823 -4.855 -5.889 1.00 0.56 H new ATOM 0 HG2 MET A 101 4.090 -3.501 -7.822 1.00 0.64 H new ATOM 0 HG3 MET A 101 3.977 -5.045 -8.643 1.00 0.64 H new ATOM 0 HE1 MET A 101 0.791 -3.443 -6.243 1.00 0.59 H new ATOM 0 HE2 MET A 101 2.325 -2.581 -6.507 1.00 0.59 H new ATOM 0 HE3 MET A 101 0.863 -2.086 -7.392 1.00 0.59 H new ATOM 1727 N VAL A 102 5.184 -4.647 -3.464 1.00 0.50 N ATOM 1728 CA VAL A 102 5.204 -5.063 -2.073 1.00 0.53 C ATOM 1729 C VAL A 102 4.095 -4.366 -1.311 1.00 0.49 C ATOM 1730 O VAL A 102 3.808 -3.200 -1.583 1.00 0.50 O ATOM 1731 CB VAL A 102 6.557 -4.738 -1.411 1.00 0.61 C ATOM 1732 CG1 VAL A 102 6.660 -5.372 -0.034 1.00 0.73 C ATOM 1733 CG2 VAL A 102 7.705 -5.184 -2.300 1.00 0.90 C ATOM 0 H VAL A 102 5.338 -3.648 -3.601 1.00 0.50 H new ATOM 0 HA VAL A 102 5.055 -6.142 -2.044 1.00 0.53 H new ATOM 0 HB VAL A 102 6.621 -3.657 -1.284 1.00 0.61 H new ATOM 0 HG11 VAL A 102 7.625 -5.126 0.409 1.00 0.73 H new ATOM 0 HG12 VAL A 102 5.861 -4.992 0.602 1.00 0.73 H new ATOM 0 HG13 VAL A 102 6.568 -6.454 -0.124 1.00 0.73 H new ATOM 0 HG21 VAL A 102 8.653 -4.947 -1.817 1.00 0.90 H new ATOM 0 HG22 VAL A 102 7.641 -6.260 -2.465 1.00 0.90 H new ATOM 0 HG23 VAL A 102 7.646 -4.666 -3.257 1.00 0.90 H new ATOM 1743 N ASP A 103 3.461 -5.094 -0.391 1.00 0.48 N ATOM 1744 CA ASP A 103 2.389 -4.549 0.443 1.00 0.47 C ATOM 1745 C ASP A 103 2.804 -3.197 1.017 1.00 0.46 C ATOM 1746 O ASP A 103 3.954 -3.017 1.413 1.00 0.51 O ATOM 1747 CB ASP A 103 2.058 -5.530 1.572 1.00 0.51 C ATOM 1748 CG ASP A 103 0.805 -5.152 2.341 1.00 1.22 C ATOM 1749 OD1 ASP A 103 0.907 -4.372 3.307 1.00 1.96 O ATOM 1750 OD2 ASP A 103 -0.285 -5.657 2.002 1.00 1.56 O ATOM 0 H ASP A 103 3.675 -6.074 -0.203 1.00 0.48 H new ATOM 0 HA ASP A 103 1.499 -4.406 -0.170 1.00 0.47 H new ATOM 0 HB2 ASP A 103 1.932 -6.528 1.153 1.00 0.51 H new ATOM 0 HB3 ASP A 103 2.900 -5.578 2.262 1.00 0.51 H new ATOM 1755 N ASP A 104 1.890 -2.243 1.021 1.00 0.46 N ATOM 1756 CA ASP A 104 2.195 -0.899 1.496 1.00 0.47 C ATOM 1757 C ASP A 104 1.812 -0.746 2.961 1.00 0.46 C ATOM 1758 O ASP A 104 2.420 0.025 3.705 1.00 0.54 O ATOM 1759 CB ASP A 104 1.450 0.134 0.655 1.00 0.54 C ATOM 1760 CG ASP A 104 1.898 1.555 0.935 1.00 0.66 C ATOM 1761 OD1 ASP A 104 3.022 1.920 0.521 1.00 1.08 O ATOM 1762 OD2 ASP A 104 1.148 2.300 1.601 1.00 0.64 O ATOM 0 H ASP A 104 0.930 -2.371 0.701 1.00 0.46 H new ATOM 0 HA ASP A 104 3.268 -0.735 1.399 1.00 0.47 H new ATOM 0 HB2 ASP A 104 1.601 -0.088 -0.402 1.00 0.54 H new ATOM 0 HB3 ASP A 104 0.381 0.050 0.849 1.00 0.54 H new ATOM 1767 N SER A 105 0.816 -1.516 3.378 1.00 0.43 N ATOM 1768 CA SER A 105 0.299 -1.440 4.743 1.00 0.49 C ATOM 1769 C SER A 105 1.174 -2.214 5.741 1.00 0.57 C ATOM 1770 O SER A 105 0.662 -2.909 6.621 1.00 0.96 O ATOM 1771 CB SER A 105 -1.137 -1.968 4.764 1.00 0.52 C ATOM 1772 OG SER A 105 -1.266 -3.143 3.976 1.00 1.27 O ATOM 0 H SER A 105 0.346 -2.204 2.790 1.00 0.43 H new ATOM 0 HA SER A 105 0.317 -0.396 5.057 1.00 0.49 H new ATOM 0 HB2 SER A 105 -1.433 -2.182 5.791 1.00 0.52 H new ATOM 0 HB3 SER A 105 -1.815 -1.200 4.390 1.00 0.52 H new ATOM 0 HG SER A 105 -0.443 -3.672 4.040 1.00 1.27 H new ATOM 1778 N LYS A 106 2.489 -2.072 5.622 1.00 0.45 N ATOM 1779 CA LYS A 106 3.421 -2.793 6.472 1.00 0.49 C ATOM 1780 C LYS A 106 4.669 -1.957 6.747 1.00 0.52 C ATOM 1781 O LYS A 106 4.725 -0.778 6.394 1.00 0.65 O ATOM 1782 CB LYS A 106 3.780 -4.103 5.788 1.00 0.58 C ATOM 1783 CG LYS A 106 3.927 -3.948 4.286 1.00 0.69 C ATOM 1784 CD LYS A 106 5.368 -3.804 3.862 1.00 0.58 C ATOM 1785 CE LYS A 106 6.069 -5.135 3.941 1.00 1.00 C ATOM 1786 NZ LYS A 106 5.362 -6.193 3.172 1.00 2.02 N ATOM 0 H LYS A 106 2.934 -1.459 4.939 1.00 0.45 H new ATOM 0 HA LYS A 106 2.956 -2.999 7.436 1.00 0.49 H new ATOM 0 HB2 LYS A 106 4.712 -4.484 6.205 1.00 0.58 H new ATOM 0 HB3 LYS A 106 3.010 -4.844 6.001 1.00 0.58 H new ATOM 0 HG2 LYS A 106 3.490 -4.814 3.789 1.00 0.69 H new ATOM 0 HG3 LYS A 106 3.365 -3.074 3.957 1.00 0.69 H new ATOM 0 HD2 LYS A 106 5.418 -3.418 2.844 1.00 0.58 H new ATOM 0 HD3 LYS A 106 5.873 -3.080 4.502 1.00 0.58 H new ATOM 0 HE2 LYS A 106 7.085 -5.031 3.561 1.00 1.00 H new ATOM 0 HE3 LYS A 106 6.149 -5.440 4.985 1.00 1.00 H new ATOM 0 HZ1 LYS A 106 5.976 -7.028 3.085 1.00 2.02 H new ATOM 0 HZ2 LYS A 106 4.487 -6.457 3.668 1.00 2.02 H new ATOM 0 HZ3 LYS A 106 5.128 -5.835 2.224 1.00 2.02 H new ATOM 1800 N THR A 107 5.662 -2.567 7.380 1.00 0.53 N ATOM 1801 CA THR A 107 6.882 -1.862 7.743 1.00 0.57 C ATOM 1802 C THR A 107 7.998 -2.097 6.725 1.00 0.52 C ATOM 1803 O THR A 107 7.834 -2.847 5.761 1.00 0.54 O ATOM 1804 CB THR A 107 7.371 -2.293 9.135 1.00 0.69 C ATOM 1805 OG1 THR A 107 7.420 -3.722 9.208 1.00 0.76 O ATOM 1806 CG2 THR A 107 6.460 -1.747 10.223 1.00 0.74 C ATOM 0 H THR A 107 5.646 -3.550 7.653 1.00 0.53 H new ATOM 0 HA THR A 107 6.639 -0.799 7.754 1.00 0.57 H new ATOM 0 HB THR A 107 8.370 -1.887 9.292 1.00 0.69 H new ATOM 0 HG1 THR A 107 7.734 -3.994 10.096 1.00 0.76 H new ATOM 0 HG21 THR A 107 6.827 -2.066 11.199 1.00 0.74 H new ATOM 0 HG22 THR A 107 6.450 -0.658 10.177 1.00 0.74 H new ATOM 0 HG23 THR A 107 5.449 -2.125 10.075 1.00 0.74 H new ATOM 1814 N VAL A 108 9.139 -1.461 6.965 1.00 0.49 N ATOM 1815 CA VAL A 108 10.278 -1.522 6.055 1.00 0.47 C ATOM 1816 C VAL A 108 10.864 -2.928 5.960 1.00 0.42 C ATOM 1817 O VAL A 108 11.005 -3.478 4.874 1.00 0.44 O ATOM 1818 CB VAL A 108 11.387 -0.569 6.519 1.00 0.55 C ATOM 1819 CG1 VAL A 108 12.543 -0.564 5.532 1.00 0.61 C ATOM 1820 CG2 VAL A 108 10.837 0.831 6.737 1.00 0.60 C ATOM 0 H VAL A 108 9.301 -0.889 7.794 1.00 0.49 H new ATOM 0 HA VAL A 108 9.907 -1.228 5.073 1.00 0.47 H new ATOM 0 HB VAL A 108 11.770 -0.927 7.474 1.00 0.55 H new ATOM 0 HG11 VAL A 108 13.317 0.119 5.882 1.00 0.61 H new ATOM 0 HG12 VAL A 108 12.956 -1.569 5.450 1.00 0.61 H new ATOM 0 HG13 VAL A 108 12.186 -0.238 4.555 1.00 0.61 H new ATOM 0 HG21 VAL A 108 11.640 1.490 7.066 1.00 0.60 H new ATOM 0 HG22 VAL A 108 10.418 1.207 5.804 1.00 0.60 H new ATOM 0 HG23 VAL A 108 10.058 0.801 7.498 1.00 0.60 H new ATOM 1830 N THR A 109 11.238 -3.468 7.109 1.00 0.43 N ATOM 1831 CA THR A 109 11.832 -4.801 7.211 1.00 0.43 C ATOM 1832 C THR A 109 11.084 -5.856 6.398 1.00 0.44 C ATOM 1833 O THR A 109 11.703 -6.617 5.651 1.00 0.45 O ATOM 1834 CB THR A 109 11.889 -5.242 8.680 1.00 0.51 C ATOM 1835 OG1 THR A 109 12.552 -4.225 9.435 1.00 0.56 O ATOM 1836 CG2 THR A 109 12.626 -6.564 8.833 1.00 0.56 C ATOM 0 H THR A 109 11.139 -2.994 8.007 1.00 0.43 H new ATOM 0 HA THR A 109 12.837 -4.723 6.795 1.00 0.43 H new ATOM 0 HB THR A 109 10.873 -5.387 9.046 1.00 0.51 H new ATOM 0 HG1 THR A 109 13.430 -4.043 9.039 1.00 0.56 H new ATOM 0 HG21 THR A 109 12.649 -6.848 9.885 1.00 0.56 H new ATOM 0 HG22 THR A 109 12.112 -7.336 8.260 1.00 0.56 H new ATOM 0 HG23 THR A 109 13.646 -6.457 8.464 1.00 0.56 H new ATOM 1844 N ASP A 110 9.760 -5.887 6.520 1.00 0.47 N ATOM 1845 CA ASP A 110 8.965 -6.893 5.826 1.00 0.51 C ATOM 1846 C ASP A 110 9.037 -6.656 4.322 1.00 0.49 C ATOM 1847 O ASP A 110 9.076 -7.589 3.527 1.00 0.54 O ATOM 1848 CB ASP A 110 7.506 -6.850 6.299 1.00 0.57 C ATOM 1849 CG ASP A 110 6.720 -8.066 5.843 1.00 0.65 C ATOM 1850 OD1 ASP A 110 6.363 -8.144 4.650 1.00 0.70 O ATOM 1851 OD2 ASP A 110 6.438 -8.944 6.682 1.00 0.76 O ATOM 0 H ASP A 110 9.220 -5.234 7.087 1.00 0.47 H new ATOM 0 HA ASP A 110 9.370 -7.879 6.055 1.00 0.51 H new ATOM 0 HB2 ASP A 110 7.480 -6.790 7.387 1.00 0.57 H new ATOM 0 HB3 ASP A 110 7.029 -5.947 5.918 1.00 0.57 H new ATOM 1856 N MET A 111 9.086 -5.386 3.951 1.00 0.46 N ATOM 1857 CA MET A 111 9.167 -4.983 2.556 1.00 0.46 C ATOM 1858 C MET A 111 10.522 -5.351 1.972 1.00 0.40 C ATOM 1859 O MET A 111 10.607 -5.865 0.859 1.00 0.43 O ATOM 1860 CB MET A 111 8.920 -3.477 2.445 1.00 0.51 C ATOM 1861 CG MET A 111 9.365 -2.857 1.131 1.00 0.50 C ATOM 1862 SD MET A 111 9.111 -1.073 1.103 1.00 0.75 S ATOM 1863 CE MET A 111 9.634 -0.661 2.761 1.00 0.67 C ATOM 0 H MET A 111 9.071 -4.606 4.608 1.00 0.46 H new ATOM 0 HA MET A 111 8.402 -5.511 1.986 1.00 0.46 H new ATOM 0 HB2 MET A 111 7.855 -3.286 2.579 1.00 0.51 H new ATOM 0 HB3 MET A 111 9.439 -2.976 3.262 1.00 0.51 H new ATOM 0 HG2 MET A 111 10.420 -3.075 0.967 1.00 0.50 H new ATOM 0 HG3 MET A 111 8.813 -3.314 0.310 1.00 0.50 H new ATOM 0 HE1 MET A 111 9.797 0.414 2.835 1.00 0.67 H new ATOM 0 HE2 MET A 111 8.863 -0.961 3.471 1.00 0.67 H new ATOM 0 HE3 MET A 111 10.562 -1.185 2.991 1.00 0.67 H new ATOM 1873 N LEU A 112 11.576 -5.100 2.738 1.00 0.36 N ATOM 1874 CA LEU A 112 12.925 -5.441 2.313 1.00 0.34 C ATOM 1875 C LEU A 112 13.031 -6.944 2.115 1.00 0.37 C ATOM 1876 O LEU A 112 13.715 -7.418 1.212 1.00 0.42 O ATOM 1877 CB LEU A 112 13.950 -4.984 3.352 1.00 0.35 C ATOM 1878 CG LEU A 112 15.354 -4.737 2.803 1.00 0.38 C ATOM 1879 CD1 LEU A 112 15.352 -3.503 1.919 1.00 0.39 C ATOM 1880 CD2 LEU A 112 16.347 -4.578 3.935 1.00 0.46 C ATOM 0 H LEU A 112 11.521 -4.661 3.657 1.00 0.36 H new ATOM 0 HA LEU A 112 13.134 -4.931 1.373 1.00 0.34 H new ATOM 0 HB2 LEU A 112 13.590 -4.066 3.817 1.00 0.35 H new ATOM 0 HB3 LEU A 112 14.010 -5.737 4.138 1.00 0.35 H new ATOM 0 HG LEU A 112 15.655 -5.598 2.206 1.00 0.38 H new ATOM 0 HD11 LEU A 112 16.356 -3.332 1.531 1.00 0.39 H new ATOM 0 HD12 LEU A 112 14.662 -3.652 1.088 1.00 0.39 H new ATOM 0 HD13 LEU A 112 15.037 -2.638 2.502 1.00 0.39 H new ATOM 0 HD21 LEU A 112 17.342 -4.403 3.525 1.00 0.46 H new ATOM 0 HD22 LEU A 112 16.057 -3.731 4.557 1.00 0.46 H new ATOM 0 HD23 LEU A 112 16.358 -5.485 4.539 1.00 0.46 H new ATOM 1892 N MET A 113 12.332 -7.681 2.971 1.00 0.39 N ATOM 1893 CA MET A 113 12.248 -9.131 2.866 1.00 0.46 C ATOM 1894 C MET A 113 11.727 -9.523 1.492 1.00 0.49 C ATOM 1895 O MET A 113 12.331 -10.330 0.790 1.00 0.56 O ATOM 1896 CB MET A 113 11.303 -9.668 3.943 1.00 0.55 C ATOM 1897 CG MET A 113 11.321 -11.179 4.095 1.00 0.61 C ATOM 1898 SD MET A 113 10.110 -11.762 5.300 1.00 0.98 S ATOM 1899 CE MET A 113 10.563 -10.807 6.749 1.00 1.34 C ATOM 0 H MET A 113 11.809 -7.290 3.755 1.00 0.39 H new ATOM 0 HA MET A 113 13.241 -9.557 3.006 1.00 0.46 H new ATOM 0 HB2 MET A 113 11.566 -9.215 4.899 1.00 0.55 H new ATOM 0 HB3 MET A 113 10.287 -9.350 3.709 1.00 0.55 H new ATOM 0 HG2 MET A 113 11.120 -11.641 3.129 1.00 0.61 H new ATOM 0 HG3 MET A 113 12.317 -11.499 4.400 1.00 0.61 H new ATOM 0 HE1 MET A 113 10.291 -11.359 7.648 1.00 1.34 H new ATOM 0 HE2 MET A 113 11.638 -10.627 6.745 1.00 1.34 H new ATOM 0 HE3 MET A 113 10.035 -9.853 6.736 1.00 1.34 H new ATOM 1909 N THR A 114 10.615 -8.910 1.117 1.00 0.47 N ATOM 1910 CA THR A 114 9.969 -9.180 -0.153 1.00 0.50 C ATOM 1911 C THR A 114 10.853 -8.766 -1.335 1.00 0.46 C ATOM 1912 O THR A 114 10.919 -9.470 -2.342 1.00 0.49 O ATOM 1913 CB THR A 114 8.617 -8.445 -0.232 1.00 0.54 C ATOM 1914 OG1 THR A 114 7.798 -8.808 0.887 1.00 0.62 O ATOM 1915 CG2 THR A 114 7.885 -8.774 -1.528 1.00 0.60 C ATOM 0 H THR A 114 10.137 -8.212 1.686 1.00 0.47 H new ATOM 0 HA THR A 114 9.802 -10.255 -0.215 1.00 0.50 H new ATOM 0 HB THR A 114 8.814 -7.373 -0.211 1.00 0.54 H new ATOM 0 HG1 THR A 114 8.157 -8.399 1.702 1.00 0.62 H new ATOM 0 HG21 THR A 114 6.935 -8.241 -1.555 1.00 0.60 H new ATOM 0 HG22 THR A 114 8.496 -8.470 -2.378 1.00 0.60 H new ATOM 0 HG23 THR A 114 7.700 -9.847 -1.579 1.00 0.60 H new ATOM 1923 N ILE A 115 11.557 -7.643 -1.202 1.00 0.43 N ATOM 1924 CA ILE A 115 12.372 -7.118 -2.294 1.00 0.41 C ATOM 1925 C ILE A 115 13.643 -7.941 -2.476 1.00 0.42 C ATOM 1926 O ILE A 115 13.965 -8.365 -3.587 1.00 0.43 O ATOM 1927 CB ILE A 115 12.764 -5.644 -2.057 1.00 0.40 C ATOM 1928 CG1 ILE A 115 11.517 -4.772 -1.903 1.00 0.42 C ATOM 1929 CG2 ILE A 115 13.629 -5.134 -3.205 1.00 0.42 C ATOM 1930 CD1 ILE A 115 11.825 -3.336 -1.537 1.00 0.44 C ATOM 0 H ILE A 115 11.579 -7.081 -0.351 1.00 0.43 H new ATOM 0 HA ILE A 115 11.762 -7.182 -3.195 1.00 0.41 H new ATOM 0 HB ILE A 115 13.340 -5.586 -1.133 1.00 0.40 H new ATOM 0 HG12 ILE A 115 10.955 -4.788 -2.837 1.00 0.42 H new ATOM 0 HG13 ILE A 115 10.874 -5.204 -1.136 1.00 0.42 H new ATOM 0 HG21 ILE A 115 13.897 -4.093 -3.024 1.00 0.42 H new ATOM 0 HG22 ILE A 115 14.535 -5.736 -3.273 1.00 0.42 H new ATOM 0 HG23 ILE A 115 13.073 -5.208 -4.140 1.00 0.42 H new ATOM 0 HD11 ILE A 115 10.894 -2.776 -1.444 1.00 0.44 H new ATOM 0 HD12 ILE A 115 12.360 -3.309 -0.588 1.00 0.44 H new ATOM 0 HD13 ILE A 115 12.443 -2.887 -2.315 1.00 0.44 H new ATOM 1942 N CYS A 116 14.353 -8.182 -1.379 1.00 0.43 N ATOM 1943 CA CYS A 116 15.609 -8.921 -1.426 1.00 0.47 C ATOM 1944 C CYS A 116 15.374 -10.349 -1.905 1.00 0.50 C ATOM 1945 O CYS A 116 16.242 -10.956 -2.537 1.00 0.53 O ATOM 1946 CB CYS A 116 16.272 -8.930 -0.049 1.00 0.51 C ATOM 1947 SG CYS A 116 16.718 -7.293 0.573 1.00 1.56 S ATOM 0 H CYS A 116 14.079 -7.876 -0.445 1.00 0.43 H new ATOM 0 HA CYS A 116 16.273 -8.423 -2.133 1.00 0.47 H new ATOM 0 HB2 CYS A 116 15.597 -9.405 0.663 1.00 0.51 H new ATOM 0 HB3 CYS A 116 17.171 -9.545 -0.095 1.00 0.51 H new ATOM 0 HG CYS A 116 17.619 -7.413 1.502 1.00 1.56 H new ATOM 1953 N ALA A 117 14.184 -10.868 -1.619 1.00 0.50 N ATOM 1954 CA ALA A 117 13.805 -12.203 -2.049 1.00 0.54 C ATOM 1955 C ALA A 117 13.675 -12.264 -3.566 1.00 0.54 C ATOM 1956 O ALA A 117 13.909 -13.308 -4.176 1.00 0.58 O ATOM 1957 CB ALA A 117 12.501 -12.616 -1.385 1.00 0.57 C ATOM 0 H ALA A 117 13.464 -10.378 -1.088 1.00 0.50 H new ATOM 0 HA ALA A 117 14.587 -12.900 -1.747 1.00 0.54 H new ATOM 0 HB1 ALA A 117 12.226 -13.618 -1.714 1.00 0.57 H new ATOM 0 HB2 ALA A 117 12.627 -12.612 -0.302 1.00 0.57 H new ATOM 0 HB3 ALA A 117 11.714 -11.915 -1.662 1.00 0.57 H new ATOM 1963 N ARG A 118 13.323 -11.134 -4.175 1.00 0.50 N ATOM 1964 CA ARG A 118 13.190 -11.063 -5.626 1.00 0.51 C ATOM 1965 C ARG A 118 14.557 -11.184 -6.275 1.00 0.52 C ATOM 1966 O ARG A 118 14.704 -11.793 -7.334 1.00 0.55 O ATOM 1967 CB ARG A 118 12.532 -9.749 -6.072 1.00 0.49 C ATOM 1968 CG ARG A 118 11.231 -9.432 -5.355 1.00 0.49 C ATOM 1969 CD ARG A 118 10.215 -10.558 -5.478 1.00 0.58 C ATOM 1970 NE ARG A 118 9.854 -10.835 -6.868 1.00 0.84 N ATOM 1971 CZ ARG A 118 8.655 -11.265 -7.256 1.00 1.16 C ATOM 1972 NH1 ARG A 118 7.691 -11.465 -6.362 1.00 1.23 N ATOM 1973 NH2 ARG A 118 8.415 -11.488 -8.540 1.00 1.75 N ATOM 0 H ARG A 118 13.126 -10.260 -3.688 1.00 0.50 H new ATOM 0 HA ARG A 118 12.551 -11.888 -5.940 1.00 0.51 H new ATOM 0 HB2 ARG A 118 13.233 -8.930 -5.909 1.00 0.49 H new ATOM 0 HB3 ARG A 118 12.341 -9.796 -7.144 1.00 0.49 H new ATOM 0 HG2 ARG A 118 11.436 -9.244 -4.301 1.00 0.49 H new ATOM 0 HG3 ARG A 118 10.806 -8.516 -5.765 1.00 0.49 H new ATOM 0 HD2 ARG A 118 10.622 -11.462 -5.024 1.00 0.58 H new ATOM 0 HD3 ARG A 118 9.317 -10.296 -4.918 1.00 0.58 H new ATOM 0 HE ARG A 118 10.565 -10.690 -7.585 1.00 0.84 H new ATOM 0 HH11 ARG A 118 7.868 -11.289 -5.373 1.00 1.23 H new ATOM 0 HH12 ARG A 118 6.775 -11.794 -6.665 1.00 1.23 H new ATOM 0 HH21 ARG A 118 9.149 -11.330 -9.231 1.00 1.75 H new ATOM 0 HH22 ARG A 118 7.497 -11.817 -8.837 1.00 1.75 H new ATOM 1987 N ILE A 119 15.560 -10.599 -5.635 1.00 0.52 N ATOM 1988 CA ILE A 119 16.918 -10.626 -6.156 1.00 0.54 C ATOM 1989 C ILE A 119 17.528 -12.005 -5.947 1.00 0.58 C ATOM 1990 O ILE A 119 18.331 -12.473 -6.751 1.00 0.66 O ATOM 1991 CB ILE A 119 17.820 -9.584 -5.453 1.00 0.51 C ATOM 1992 CG1 ILE A 119 17.004 -8.375 -4.975 1.00 0.49 C ATOM 1993 CG2 ILE A 119 18.928 -9.132 -6.390 1.00 0.56 C ATOM 1994 CD1 ILE A 119 16.322 -7.603 -6.085 1.00 0.69 C ATOM 0 H ILE A 119 15.457 -10.099 -4.752 1.00 0.52 H new ATOM 0 HA ILE A 119 16.862 -10.387 -7.218 1.00 0.54 H new ATOM 0 HB ILE A 119 18.264 -10.058 -4.578 1.00 0.51 H new ATOM 0 HG12 ILE A 119 16.247 -8.719 -4.270 1.00 0.49 H new ATOM 0 HG13 ILE A 119 17.663 -7.699 -4.431 1.00 0.49 H new ATOM 0 HG21 ILE A 119 19.556 -8.399 -5.884 1.00 0.56 H new ATOM 0 HG22 ILE A 119 19.534 -9.991 -6.678 1.00 0.56 H new ATOM 0 HG23 ILE A 119 18.490 -8.681 -7.281 1.00 0.56 H new ATOM 0 HD11 ILE A 119 15.768 -6.766 -5.659 1.00 0.69 H new ATOM 0 HD12 ILE A 119 17.072 -7.225 -6.780 1.00 0.69 H new ATOM 0 HD13 ILE A 119 15.634 -8.261 -6.616 1.00 0.69 H new ATOM 2006 N GLY A 120 17.132 -12.649 -4.859 1.00 0.57 N ATOM 2007 CA GLY A 120 17.671 -13.950 -4.528 1.00 0.62 C ATOM 2008 C GLY A 120 18.559 -13.900 -3.303 1.00 0.64 C ATOM 2009 O GLY A 120 19.376 -14.792 -3.079 1.00 0.70 O ATOM 0 H GLY A 120 16.444 -12.291 -4.197 1.00 0.57 H new ATOM 0 HA2 GLY A 120 16.852 -14.648 -4.354 1.00 0.62 H new ATOM 0 HA3 GLY A 120 18.242 -14.332 -5.374 1.00 0.62 H new ATOM 2013 N ILE A 121 18.400 -12.850 -2.512 1.00 0.66 N ATOM 2014 CA ILE A 121 19.182 -12.680 -1.299 1.00 0.71 C ATOM 2015 C ILE A 121 18.465 -13.340 -0.124 1.00 0.82 C ATOM 2016 O ILE A 121 17.280 -13.088 0.107 1.00 1.54 O ATOM 2017 CB ILE A 121 19.410 -11.186 -0.983 1.00 0.63 C ATOM 2018 CG1 ILE A 121 20.029 -10.461 -2.186 1.00 0.59 C ATOM 2019 CG2 ILE A 121 20.296 -11.031 0.244 1.00 0.67 C ATOM 2020 CD1 ILE A 121 20.139 -8.957 -2.005 1.00 0.56 C ATOM 0 H ILE A 121 17.733 -12.100 -2.691 1.00 0.66 H new ATOM 0 HA ILE A 121 20.152 -13.152 -1.457 1.00 0.71 H new ATOM 0 HB ILE A 121 18.442 -10.731 -0.773 1.00 0.63 H new ATOM 0 HG12 ILE A 121 21.023 -10.869 -2.372 1.00 0.59 H new ATOM 0 HG13 ILE A 121 19.428 -10.668 -3.072 1.00 0.59 H new ATOM 0 HG21 ILE A 121 20.447 -9.972 0.453 1.00 0.67 H new ATOM 0 HG22 ILE A 121 19.817 -11.505 1.101 1.00 0.67 H new ATOM 0 HG23 ILE A 121 21.260 -11.505 0.059 1.00 0.67 H new ATOM 0 HD11 ILE A 121 20.585 -8.515 -2.896 1.00 0.56 H new ATOM 0 HD12 ILE A 121 19.146 -8.536 -1.850 1.00 0.56 H new ATOM 0 HD13 ILE A 121 20.765 -8.740 -1.139 1.00 0.56 H new ATOM 2032 N THR A 122 19.176 -14.186 0.606 1.00 0.96 N ATOM 2033 CA THR A 122 18.589 -14.903 1.728 1.00 1.00 C ATOM 2034 C THR A 122 18.622 -14.054 2.996 1.00 0.90 C ATOM 2035 O THR A 122 17.589 -13.809 3.622 1.00 1.04 O ATOM 2036 CB THR A 122 19.317 -16.238 1.964 1.00 1.18 C ATOM 2037 OG1 THR A 122 19.295 -17.011 0.754 1.00 1.55 O ATOM 2038 CG2 THR A 122 18.665 -17.028 3.091 1.00 1.65 C ATOM 0 H THR A 122 20.161 -14.393 0.441 1.00 0.96 H new ATOM 0 HA THR A 122 17.548 -15.113 1.481 1.00 1.00 H new ATOM 0 HB THR A 122 20.347 -16.025 2.252 1.00 1.18 H new ATOM 0 HG1 THR A 122 19.760 -17.861 0.901 1.00 1.55 H new ATOM 0 HG21 THR A 122 19.201 -17.966 3.235 1.00 1.65 H new ATOM 0 HG22 THR A 122 18.700 -16.445 4.011 1.00 1.65 H new ATOM 0 HG23 THR A 122 17.627 -17.239 2.834 1.00 1.65 H new ATOM 2046 N ASN A 123 19.808 -13.596 3.364 1.00 0.91 N ATOM 2047 CA ASN A 123 19.965 -12.729 4.523 1.00 0.87 C ATOM 2048 C ASN A 123 19.717 -11.280 4.119 1.00 0.77 C ATOM 2049 O ASN A 123 20.575 -10.614 3.543 1.00 1.05 O ATOM 2050 CB ASN A 123 21.352 -12.907 5.167 1.00 1.10 C ATOM 2051 CG ASN A 123 22.513 -12.763 4.193 1.00 1.31 C ATOM 2052 OD1 ASN A 123 22.391 -13.051 3.002 1.00 2.13 O ATOM 2053 ND2 ASN A 123 23.656 -12.333 4.701 1.00 1.50 N ATOM 0 H ASN A 123 20.678 -13.810 2.876 1.00 0.91 H new ATOM 0 HA ASN A 123 19.227 -13.009 5.275 1.00 0.87 H new ATOM 0 HB2 ASN A 123 21.467 -12.173 5.964 1.00 1.10 H new ATOM 0 HB3 ASN A 123 21.401 -13.892 5.631 1.00 1.10 H new ATOM 0 HD21 ASN A 123 24.474 -12.230 4.101 1.00 1.50 H new ATOM 0 HD22 ASN A 123 23.719 -12.104 5.693 1.00 1.50 H new ATOM 2060 N HIS A 124 18.521 -10.803 4.423 1.00 0.61 N ATOM 2061 CA HIS A 124 18.055 -9.518 3.913 1.00 0.59 C ATOM 2062 C HIS A 124 18.107 -8.435 4.981 1.00 0.57 C ATOM 2063 O HIS A 124 17.837 -7.269 4.700 1.00 0.66 O ATOM 2064 CB HIS A 124 16.618 -9.643 3.392 1.00 0.63 C ATOM 2065 CG HIS A 124 15.617 -9.957 4.462 1.00 0.58 C ATOM 2066 ND1 HIS A 124 14.953 -8.986 5.184 1.00 0.55 N ATOM 2067 CD2 HIS A 124 15.179 -11.143 4.942 1.00 0.66 C ATOM 2068 CE1 HIS A 124 14.154 -9.563 6.060 1.00 0.57 C ATOM 2069 NE2 HIS A 124 14.273 -10.870 5.930 1.00 0.66 N ATOM 0 H HIS A 124 17.851 -11.286 5.022 1.00 0.61 H new ATOM 0 HA HIS A 124 18.722 -9.231 3.100 1.00 0.59 H new ATOM 0 HB2 HIS A 124 16.335 -8.710 2.904 1.00 0.63 H new ATOM 0 HB3 HIS A 124 16.582 -10.424 2.632 1.00 0.63 H new ATOM 0 HD2 HIS A 124 15.487 -12.123 4.608 1.00 0.66 H new ATOM 0 HE1 HIS A 124 13.512 -9.053 6.763 1.00 0.57 H new ATOM 0 HE2 HIS A 124 13.769 -11.567 6.479 1.00 0.66 H new ATOM 2078 N ASP A 125 18.442 -8.814 6.202 1.00 0.62 N ATOM 2079 CA ASP A 125 18.452 -7.870 7.303 1.00 0.72 C ATOM 2080 C ASP A 125 19.781 -7.146 7.334 1.00 0.64 C ATOM 2081 O ASP A 125 19.966 -6.194 8.088 1.00 0.66 O ATOM 2082 CB ASP A 125 18.197 -8.580 8.633 1.00 0.97 C ATOM 2083 CG ASP A 125 16.822 -9.212 8.699 1.00 1.54 C ATOM 2084 OD1 ASP A 125 15.819 -8.474 8.626 1.00 2.14 O ATOM 2085 OD2 ASP A 125 16.742 -10.455 8.814 1.00 2.11 O ATOM 0 H ASP A 125 18.710 -9.765 6.454 1.00 0.62 H new ATOM 0 HA ASP A 125 17.651 -7.146 7.154 1.00 0.72 H new ATOM 0 HB2 ASP A 125 18.955 -9.350 8.781 1.00 0.97 H new ATOM 0 HB3 ASP A 125 18.304 -7.865 9.449 1.00 0.97 H new ATOM 2090 N GLU A 126 20.691 -7.594 6.473 1.00 0.62 N ATOM 2091 CA GLU A 126 22.010 -6.992 6.352 1.00 0.62 C ATOM 2092 C GLU A 126 21.920 -5.646 5.637 1.00 0.52 C ATOM 2093 O GLU A 126 22.925 -4.955 5.457 1.00 0.61 O ATOM 2094 CB GLU A 126 22.952 -7.917 5.577 1.00 0.76 C ATOM 2095 CG GLU A 126 22.966 -9.348 6.087 1.00 1.19 C ATOM 2096 CD GLU A 126 23.325 -9.452 7.554 1.00 1.84 C ATOM 2097 OE1 GLU A 126 24.506 -9.239 7.896 1.00 2.27 O ATOM 2098 OE2 GLU A 126 22.430 -9.729 8.375 1.00 2.30 O ATOM 0 H GLU A 126 20.533 -8.381 5.844 1.00 0.62 H new ATOM 0 HA GLU A 126 22.405 -6.838 7.356 1.00 0.62 H new ATOM 0 HB2 GLU A 126 22.661 -7.919 4.527 1.00 0.76 H new ATOM 0 HB3 GLU A 126 23.964 -7.514 5.627 1.00 0.76 H new ATOM 0 HG2 GLU A 126 21.984 -9.794 5.927 1.00 1.19 H new ATOM 0 HG3 GLU A 126 23.679 -9.929 5.502 1.00 1.19 H new ATOM 2105 N TYR A 127 20.711 -5.281 5.234 1.00 0.43 N ATOM 2106 CA TYR A 127 20.499 -4.080 4.446 1.00 0.38 C ATOM 2107 C TYR A 127 19.559 -3.109 5.140 1.00 0.39 C ATOM 2108 O TYR A 127 18.716 -3.501 5.949 1.00 0.42 O ATOM 2109 CB TYR A 127 19.904 -4.443 3.089 1.00 0.36 C ATOM 2110 CG TYR A 127 20.729 -5.426 2.308 1.00 0.36 C ATOM 2111 CD1 TYR A 127 21.888 -5.027 1.665 1.00 0.38 C ATOM 2112 CD2 TYR A 127 20.348 -6.754 2.216 1.00 0.40 C ATOM 2113 CE1 TYR A 127 22.648 -5.923 0.949 1.00 0.41 C ATOM 2114 CE2 TYR A 127 21.101 -7.660 1.505 1.00 0.43 C ATOM 2115 CZ TYR A 127 22.252 -7.242 0.870 1.00 0.43 C ATOM 2116 OH TYR A 127 23.007 -8.146 0.157 1.00 0.49 O ATOM 0 H TYR A 127 19.860 -5.803 5.442 1.00 0.43 H new ATOM 0 HA TYR A 127 21.470 -3.601 4.322 1.00 0.38 H new ATOM 0 HB2 TYR A 127 18.907 -4.858 3.239 1.00 0.36 H new ATOM 0 HB3 TYR A 127 19.785 -3.534 2.500 1.00 0.36 H new ATOM 0 HD1 TYR A 127 22.201 -3.995 1.726 1.00 0.38 H new ATOM 0 HD2 TYR A 127 19.446 -7.084 2.710 1.00 0.40 H new ATOM 0 HE1 TYR A 127 23.549 -5.596 0.452 1.00 0.41 H new ATOM 0 HE2 TYR A 127 20.792 -8.693 1.444 1.00 0.43 H new ATOM 0 HH TYR A 127 22.588 -9.031 0.204 1.00 0.49 H new ATOM 2126 N SER A 128 19.717 -1.841 4.822 1.00 0.40 N ATOM 2127 CA SER A 128 18.759 -0.826 5.203 1.00 0.42 C ATOM 2128 C SER A 128 18.128 -0.258 3.939 1.00 0.41 C ATOM 2129 O SER A 128 18.456 -0.698 2.834 1.00 0.54 O ATOM 2130 CB SER A 128 19.442 0.272 6.016 1.00 0.47 C ATOM 2131 OG SER A 128 20.631 0.716 5.386 1.00 1.13 O ATOM 0 H SER A 128 20.513 -1.486 4.292 1.00 0.40 H new ATOM 0 HA SER A 128 17.982 -1.262 5.831 1.00 0.42 H new ATOM 0 HB2 SER A 128 18.759 1.112 6.142 1.00 0.47 H new ATOM 0 HB3 SER A 128 19.674 -0.102 7.013 1.00 0.47 H new ATOM 0 HG SER A 128 21.045 1.420 5.928 1.00 1.13 H new ATOM 2137 N LEU A 129 17.235 0.706 4.074 1.00 0.42 N ATOM 2138 CA LEU A 129 16.591 1.258 2.896 1.00 0.42 C ATOM 2139 C LEU A 129 16.725 2.771 2.901 1.00 0.43 C ATOM 2140 O LEU A 129 16.788 3.384 3.957 1.00 0.48 O ATOM 2141 CB LEU A 129 15.119 0.822 2.852 1.00 0.43 C ATOM 2142 CG LEU A 129 14.527 0.591 1.455 1.00 0.45 C ATOM 2143 CD1 LEU A 129 13.284 -0.279 1.546 1.00 1.33 C ATOM 2144 CD2 LEU A 129 14.183 1.910 0.778 1.00 1.13 C ATOM 0 H LEU A 129 16.945 1.114 4.963 1.00 0.42 H new ATOM 0 HA LEU A 129 17.078 0.879 1.998 1.00 0.42 H new ATOM 0 HB2 LEU A 129 15.016 -0.099 3.425 1.00 0.43 H new ATOM 0 HB3 LEU A 129 14.521 1.580 3.357 1.00 0.43 H new ATOM 0 HG LEU A 129 15.280 0.082 0.854 1.00 0.45 H new ATOM 0 HD11 LEU A 129 12.875 -0.434 0.548 1.00 1.33 H new ATOM 0 HD12 LEU A 129 13.545 -1.242 1.985 1.00 1.33 H new ATOM 0 HD13 LEU A 129 12.539 0.215 2.170 1.00 1.33 H new ATOM 0 HD21 LEU A 129 13.766 1.714 -0.210 1.00 1.13 H new ATOM 0 HD22 LEU A 129 13.452 2.448 1.381 1.00 1.13 H new ATOM 0 HD23 LEU A 129 15.085 2.514 0.678 1.00 1.13 H new ATOM 2156 N VAL A 130 16.811 3.358 1.725 1.00 0.42 N ATOM 2157 CA VAL A 130 16.867 4.804 1.588 1.00 0.46 C ATOM 2158 C VAL A 130 16.046 5.230 0.381 1.00 0.46 C ATOM 2159 O VAL A 130 16.254 4.747 -0.731 1.00 0.45 O ATOM 2160 CB VAL A 130 18.325 5.308 1.462 1.00 0.48 C ATOM 2161 CG1 VAL A 130 19.081 4.501 0.441 1.00 0.49 C ATOM 2162 CG2 VAL A 130 18.381 6.780 1.098 1.00 0.60 C ATOM 0 H VAL A 130 16.844 2.852 0.840 1.00 0.42 H new ATOM 0 HA VAL A 130 16.448 5.253 2.489 1.00 0.46 H new ATOM 0 HB VAL A 130 18.795 5.182 2.438 1.00 0.48 H new ATOM 0 HG11 VAL A 130 20.103 4.872 0.368 1.00 0.49 H new ATOM 0 HG12 VAL A 130 19.096 3.454 0.743 1.00 0.49 H new ATOM 0 HG13 VAL A 130 18.592 4.592 -0.529 1.00 0.49 H new ATOM 0 HG21 VAL A 130 19.421 7.096 1.019 1.00 0.60 H new ATOM 0 HG22 VAL A 130 17.880 6.938 0.143 1.00 0.60 H new ATOM 0 HG23 VAL A 130 17.882 7.365 1.870 1.00 0.60 H new ATOM 2172 N ARG A 131 15.086 6.102 0.606 1.00 0.48 N ATOM 2173 CA ARG A 131 14.191 6.514 -0.451 1.00 0.50 C ATOM 2174 C ARG A 131 14.527 7.917 -0.926 1.00 0.57 C ATOM 2175 O ARG A 131 14.174 8.905 -0.273 1.00 0.64 O ATOM 2176 CB ARG A 131 12.753 6.497 0.054 1.00 0.54 C ATOM 2177 CG ARG A 131 12.368 5.232 0.795 1.00 0.51 C ATOM 2178 CD ARG A 131 10.914 5.279 1.229 1.00 0.62 C ATOM 2179 NE ARG A 131 9.996 5.171 0.093 1.00 0.96 N ATOM 2180 CZ ARG A 131 9.157 4.149 -0.099 1.00 1.65 C ATOM 2181 NH1 ARG A 131 9.132 3.134 0.760 1.00 2.18 N ATOM 2182 NH2 ARG A 131 8.347 4.137 -1.153 1.00 2.01 N ATOM 0 H ARG A 131 14.907 6.538 1.511 1.00 0.48 H new ATOM 0 HA ARG A 131 14.305 5.818 -1.282 1.00 0.50 H new ATOM 0 HB2 ARG A 131 12.602 7.351 0.714 1.00 0.54 H new ATOM 0 HB3 ARG A 131 12.081 6.626 -0.794 1.00 0.54 H new ATOM 0 HG2 ARG A 131 12.532 4.366 0.154 1.00 0.51 H new ATOM 0 HG3 ARG A 131 13.008 5.108 1.668 1.00 0.51 H new ATOM 0 HD2 ARG A 131 10.719 4.468 1.930 1.00 0.62 H new ATOM 0 HD3 ARG A 131 10.725 6.212 1.760 1.00 0.62 H new ATOM 0 HE ARG A 131 9.997 5.924 -0.595 1.00 0.96 H new ATOM 0 HH11 ARG A 131 9.754 3.134 1.568 1.00 2.18 H new ATOM 0 HH12 ARG A 131 8.490 2.355 0.611 1.00 2.18 H new ATOM 0 HH21 ARG A 131 8.365 4.910 -1.819 1.00 2.01 H new ATOM 0 HH22 ARG A 131 7.708 3.355 -1.296 1.00 2.01 H new ATOM 2196 N GLU A 132 15.183 8.008 -2.069 1.00 0.58 N ATOM 2197 CA GLU A 132 15.406 9.297 -2.692 1.00 0.66 C ATOM 2198 C GLU A 132 14.146 9.720 -3.418 1.00 0.73 C ATOM 2199 O GLU A 132 13.818 9.188 -4.482 1.00 0.74 O ATOM 2200 CB GLU A 132 16.574 9.266 -3.683 1.00 0.68 C ATOM 2201 CG GLU A 132 17.946 9.092 -3.052 1.00 0.64 C ATOM 2202 CD GLU A 132 19.058 9.369 -4.047 1.00 0.72 C ATOM 2203 OE1 GLU A 132 19.487 10.536 -4.167 1.00 1.05 O ATOM 2204 OE2 GLU A 132 19.529 8.414 -4.698 1.00 0.90 O ATOM 0 H GLU A 132 15.567 7.212 -2.579 1.00 0.58 H new ATOM 0 HA GLU A 132 15.658 10.009 -1.906 1.00 0.66 H new ATOM 0 HB2 GLU A 132 16.410 8.453 -4.390 1.00 0.68 H new ATOM 0 HB3 GLU A 132 16.569 10.193 -4.257 1.00 0.68 H new ATOM 0 HG2 GLU A 132 18.043 9.765 -2.200 1.00 0.64 H new ATOM 0 HG3 GLU A 132 18.045 8.076 -2.669 1.00 0.64 H new ATOM 2211 N LEU A 133 13.423 10.656 -2.841 1.00 0.80 N ATOM 2212 CA LEU A 133 12.163 11.060 -3.427 1.00 0.87 C ATOM 2213 C LEU A 133 12.301 12.371 -4.168 1.00 0.97 C ATOM 2214 O LEU A 133 13.366 12.990 -4.202 1.00 1.02 O ATOM 2215 CB LEU A 133 11.059 11.212 -2.380 1.00 0.92 C ATOM 2216 CG LEU A 133 11.036 10.175 -1.257 1.00 0.87 C ATOM 2217 CD1 LEU A 133 9.789 10.355 -0.419 1.00 0.97 C ATOM 2218 CD2 LEU A 133 11.088 8.764 -1.811 1.00 0.80 C ATOM 0 H LEU A 133 13.679 11.144 -1.983 1.00 0.80 H new ATOM 0 HA LEU A 133 11.886 10.266 -4.120 1.00 0.87 H new ATOM 0 HB2 LEU A 133 11.150 12.200 -1.930 1.00 0.92 H new ATOM 0 HB3 LEU A 133 10.097 11.182 -2.892 1.00 0.92 H new ATOM 0 HG LEU A 133 11.918 10.326 -0.635 1.00 0.87 H new ATOM 0 HD11 LEU A 133 9.777 9.614 0.380 1.00 0.97 H new ATOM 0 HD12 LEU A 133 9.783 11.355 0.014 1.00 0.97 H new ATOM 0 HD13 LEU A 133 8.907 10.226 -1.047 1.00 0.97 H new ATOM 0 HD21 LEU A 133 11.070 8.049 -0.988 1.00 0.80 H new ATOM 0 HD22 LEU A 133 10.227 8.595 -2.457 1.00 0.80 H new ATOM 0 HD23 LEU A 133 12.005 8.632 -2.386 1.00 0.80 H new ATOM 2230 N MET A 134 11.197 12.774 -4.746 1.00 1.04 N ATOM 2231 CA MET A 134 11.080 14.032 -5.456 1.00 1.15 C ATOM 2232 C MET A 134 9.926 14.824 -4.864 1.00 1.22 C ATOM 2233 O MET A 134 9.576 15.907 -5.340 1.00 1.29 O ATOM 2234 CB MET A 134 10.829 13.750 -6.936 1.00 1.27 C ATOM 2235 CG MET A 134 9.901 12.564 -7.150 1.00 1.36 C ATOM 2236 SD MET A 134 8.497 12.940 -8.213 1.00 1.80 S ATOM 2237 CE MET A 134 7.566 14.007 -7.118 1.00 2.03 C ATOM 0 H MET A 134 10.335 12.229 -4.738 1.00 1.04 H new ATOM 0 HA MET A 134 11.998 14.611 -5.358 1.00 1.15 H new ATOM 0 HB2 MET A 134 10.397 14.635 -7.404 1.00 1.27 H new ATOM 0 HB3 MET A 134 11.780 13.558 -7.433 1.00 1.27 H new ATOM 0 HG2 MET A 134 10.468 11.742 -7.586 1.00 1.36 H new ATOM 0 HG3 MET A 134 9.534 12.220 -6.183 1.00 1.36 H new ATOM 0 HE1 MET A 134 6.524 14.036 -7.437 1.00 2.03 H new ATOM 0 HE2 MET A 134 7.623 13.622 -6.100 1.00 2.03 H new ATOM 0 HE3 MET A 134 7.983 15.013 -7.149 1.00 2.03 H new ATOM 2247 N GLU A 135 9.351 14.255 -3.809 1.00 1.27 N ATOM 2248 CA GLU A 135 8.176 14.796 -3.152 1.00 1.39 C ATOM 2249 C GLU A 135 8.352 16.250 -2.744 1.00 1.41 C ATOM 2250 O GLU A 135 9.330 16.613 -2.096 1.00 1.45 O ATOM 2251 CB GLU A 135 7.857 13.958 -1.923 1.00 1.48 C ATOM 2252 CG GLU A 135 7.240 12.614 -2.248 1.00 1.58 C ATOM 2253 CD GLU A 135 6.570 11.994 -1.046 1.00 1.83 C ATOM 2254 OE1 GLU A 135 5.906 12.738 -0.291 1.00 2.04 O ATOM 2255 OE2 GLU A 135 6.733 10.777 -0.821 1.00 2.29 O ATOM 0 H GLU A 135 9.696 13.394 -3.384 1.00 1.27 H new ATOM 0 HA GLU A 135 7.354 14.759 -3.867 1.00 1.39 H new ATOM 0 HB2 GLU A 135 8.773 13.800 -1.354 1.00 1.48 H new ATOM 0 HB3 GLU A 135 7.175 14.515 -1.281 1.00 1.48 H new ATOM 0 HG2 GLU A 135 6.510 12.734 -3.048 1.00 1.58 H new ATOM 0 HG3 GLU A 135 8.012 11.941 -2.620 1.00 1.58 H new ATOM 2262 N GLU A 136 7.382 17.068 -3.126 1.00 1.46 N ATOM 2263 CA GLU A 136 7.338 18.472 -2.735 1.00 1.52 C ATOM 2264 C GLU A 136 7.220 18.612 -1.220 1.00 1.52 C ATOM 2265 O GLU A 136 7.592 19.632 -0.646 1.00 1.59 O ATOM 2266 CB GLU A 136 6.142 19.137 -3.412 1.00 1.67 C ATOM 2267 CG GLU A 136 4.821 18.462 -3.073 1.00 1.73 C ATOM 2268 CD GLU A 136 3.658 19.006 -3.868 1.00 1.93 C ATOM 2269 OE1 GLU A 136 3.643 18.829 -5.103 1.00 1.99 O ATOM 2270 OE2 GLU A 136 2.759 19.624 -3.260 1.00 2.12 O ATOM 0 H GLU A 136 6.602 16.778 -3.716 1.00 1.46 H new ATOM 0 HA GLU A 136 8.263 18.957 -3.048 1.00 1.52 H new ATOM 0 HB2 GLU A 136 6.097 20.184 -3.113 1.00 1.67 H new ATOM 0 HB3 GLU A 136 6.286 19.120 -4.492 1.00 1.67 H new ATOM 0 HG2 GLU A 136 4.909 17.391 -3.256 1.00 1.73 H new ATOM 0 HG3 GLU A 136 4.617 18.588 -2.010 1.00 1.73 H new ATOM 2277 N LYS A 137 6.702 17.574 -0.586 1.00 1.53 N ATOM 2278 CA LYS A 137 6.460 17.588 0.849 1.00 1.61 C ATOM 2279 C LYS A 137 7.748 17.329 1.621 1.00 1.55 C ATOM 2280 O LYS A 137 8.174 18.151 2.434 1.00 1.63 O ATOM 2281 CB LYS A 137 5.408 16.540 1.208 1.00 1.72 C ATOM 2282 CG LYS A 137 4.082 16.752 0.494 1.00 1.83 C ATOM 2283 CD LYS A 137 3.095 15.648 0.819 1.00 2.14 C ATOM 2284 CE LYS A 137 1.771 15.847 0.097 1.00 2.31 C ATOM 2285 NZ LYS A 137 1.072 17.087 0.526 1.00 2.98 N ATOM 0 H LYS A 137 6.438 16.703 -1.046 1.00 1.53 H new ATOM 0 HA LYS A 137 6.092 18.575 1.128 1.00 1.61 H new ATOM 0 HB2 LYS A 137 5.792 15.550 0.961 1.00 1.72 H new ATOM 0 HB3 LYS A 137 5.240 16.557 2.285 1.00 1.72 H new ATOM 0 HG2 LYS A 137 3.661 17.715 0.784 1.00 1.83 H new ATOM 0 HG3 LYS A 137 4.249 16.788 -0.583 1.00 1.83 H new ATOM 0 HD2 LYS A 137 3.521 14.685 0.539 1.00 2.14 H new ATOM 0 HD3 LYS A 137 2.922 15.619 1.895 1.00 2.14 H new ATOM 0 HE2 LYS A 137 1.949 15.887 -0.978 1.00 2.31 H new ATOM 0 HE3 LYS A 137 1.127 14.987 0.282 1.00 2.31 H new ATOM 0 HZ1 LYS A 137 0.137 16.843 0.911 1.00 2.98 H new ATOM 0 HZ2 LYS A 137 1.634 17.566 1.258 1.00 2.98 H new ATOM 0 HZ3 LYS A 137 0.956 17.720 -0.291 1.00 2.98 H new ATOM 2299 N LYS A 138 8.364 16.183 1.366 1.00 1.47 N ATOM 2300 CA LYS A 138 9.598 15.817 2.048 1.00 1.45 C ATOM 2301 C LYS A 138 10.819 16.211 1.244 1.00 1.34 C ATOM 2302 O LYS A 138 11.523 17.160 1.583 1.00 1.43 O ATOM 2303 CB LYS A 138 9.669 14.315 2.303 1.00 1.48 C ATOM 2304 CG LYS A 138 8.815 13.836 3.451 1.00 1.52 C ATOM 2305 CD LYS A 138 7.488 13.274 2.978 1.00 1.58 C ATOM 2306 CE LYS A 138 7.664 11.909 2.338 1.00 1.42 C ATOM 2307 NZ LYS A 138 6.376 11.352 1.860 1.00 1.76 N ATOM 0 H LYS A 138 8.031 15.492 0.694 1.00 1.47 H new ATOM 0 HA LYS A 138 9.591 16.356 2.995 1.00 1.45 H new ATOM 0 HB2 LYS A 138 9.366 13.790 1.397 1.00 1.48 H new ATOM 0 HB3 LYS A 138 10.706 14.041 2.498 1.00 1.48 H new ATOM 0 HG2 LYS A 138 9.354 13.071 4.009 1.00 1.52 H new ATOM 0 HG3 LYS A 138 8.634 14.663 4.138 1.00 1.52 H new ATOM 0 HD2 LYS A 138 6.802 13.197 3.821 1.00 1.58 H new ATOM 0 HD3 LYS A 138 7.036 13.959 2.261 1.00 1.58 H new ATOM 0 HE2 LYS A 138 8.358 11.987 1.501 1.00 1.42 H new ATOM 0 HE3 LYS A 138 8.110 11.225 3.060 1.00 1.42 H new ATOM 0 HZ1 LYS A 138 6.560 10.568 1.202 1.00 1.76 H new ATOM 0 HZ2 LYS A 138 5.827 11.002 2.671 1.00 1.76 H new ATOM 0 HZ3 LYS A 138 5.836 12.095 1.372 1.00 1.76 H new ATOM 2321 N ASP A 169 11.038 15.464 0.167 1.00 1.23 N ATOM 2322 CA ASP A 169 12.280 15.509 -0.588 1.00 1.18 C ATOM 2323 C ASP A 169 13.455 15.286 0.345 1.00 1.11 C ATOM 2324 O ASP A 169 14.205 16.202 0.681 1.00 1.30 O ATOM 2325 CB ASP A 169 12.428 16.823 -1.358 1.00 1.35 C ATOM 2326 CG ASP A 169 13.509 16.763 -2.420 1.00 1.44 C ATOM 2327 OD1 ASP A 169 14.695 16.946 -2.070 1.00 1.59 O ATOM 2328 OD2 ASP A 169 13.186 16.510 -3.599 1.00 1.48 O ATOM 0 H ASP A 169 10.353 14.807 -0.207 1.00 1.23 H new ATOM 0 HA ASP A 169 12.260 14.710 -1.329 1.00 1.18 H new ATOM 0 HB2 ASP A 169 11.477 17.073 -1.828 1.00 1.35 H new ATOM 0 HB3 ASP A 169 12.658 17.626 -0.657 1.00 1.35 H new ATOM 2333 N GLU A 170 13.564 14.053 0.795 1.00 0.96 N ATOM 2334 CA GLU A 170 14.607 13.653 1.710 1.00 0.90 C ATOM 2335 C GLU A 170 15.237 12.375 1.199 1.00 0.78 C ATOM 2336 O GLU A 170 14.739 11.777 0.241 1.00 0.77 O ATOM 2337 CB GLU A 170 14.035 13.412 3.109 1.00 0.98 C ATOM 2338 CG GLU A 170 13.243 14.579 3.672 1.00 1.24 C ATOM 2339 CD GLU A 170 12.710 14.296 5.060 1.00 1.90 C ATOM 2340 OE1 GLU A 170 11.754 13.505 5.181 1.00 2.57 O ATOM 2341 OE2 GLU A 170 13.236 14.872 6.034 1.00 2.27 O ATOM 0 H GLU A 170 12.928 13.299 0.534 1.00 0.96 H new ATOM 0 HA GLU A 170 15.351 14.447 1.773 1.00 0.90 H new ATOM 0 HB2 GLU A 170 13.391 12.533 3.079 1.00 0.98 H new ATOM 0 HB3 GLU A 170 14.855 13.183 3.789 1.00 0.98 H new ATOM 0 HG2 GLU A 170 13.878 15.465 3.703 1.00 1.24 H new ATOM 0 HG3 GLU A 170 12.411 14.806 3.005 1.00 1.24 H new ATOM 2348 N LEU A 171 16.318 11.960 1.835 1.00 0.73 N ATOM 2349 CA LEU A 171 16.927 10.678 1.533 1.00 0.67 C ATOM 2350 C LEU A 171 16.041 9.567 2.043 1.00 0.62 C ATOM 2351 O LEU A 171 16.091 8.456 1.547 1.00 0.57 O ATOM 2352 CB LEU A 171 18.308 10.567 2.170 1.00 0.71 C ATOM 2353 CG LEU A 171 19.268 11.683 1.793 1.00 0.77 C ATOM 2354 CD1 LEU A 171 20.668 11.385 2.303 1.00 0.86 C ATOM 2355 CD2 LEU A 171 19.269 11.878 0.286 1.00 0.74 C ATOM 0 H LEU A 171 16.792 12.493 2.564 1.00 0.73 H new ATOM 0 HA LEU A 171 17.040 10.594 0.452 1.00 0.67 H new ATOM 0 HB2 LEU A 171 18.194 10.554 3.254 1.00 0.71 H new ATOM 0 HB3 LEU A 171 18.750 9.613 1.884 1.00 0.71 H new ATOM 0 HG LEU A 171 18.933 12.608 2.263 1.00 0.77 H new ATOM 0 HD11 LEU A 171 21.338 12.197 2.022 1.00 0.86 H new ATOM 0 HD12 LEU A 171 20.647 11.291 3.389 1.00 0.86 H new ATOM 0 HD13 LEU A 171 21.024 10.453 1.865 1.00 0.86 H new ATOM 0 HD21 LEU A 171 19.959 12.680 0.023 1.00 0.74 H new ATOM 0 HD22 LEU A 171 19.583 10.954 -0.200 1.00 0.74 H new ATOM 0 HD23 LEU A 171 18.265 12.140 -0.048 1.00 0.74 H new ATOM 2367 N ASN A 172 15.238 9.890 3.048 1.00 0.65 N ATOM 2368 CA ASN A 172 14.298 8.945 3.633 1.00 0.63 C ATOM 2369 C ASN A 172 14.958 7.599 3.893 1.00 0.57 C ATOM 2370 O ASN A 172 14.651 6.609 3.225 1.00 0.53 O ATOM 2371 CB ASN A 172 13.072 8.753 2.731 1.00 0.65 C ATOM 2372 CG ASN A 172 12.082 9.899 2.809 1.00 0.75 C ATOM 2373 OD1 ASN A 172 12.070 10.738 1.786 1.00 0.90 O flip ATOM 2374 ND2 ASN A 172 11.294 9.997 3.751 1.00 0.80 N flip ATOM 0 H ASN A 172 15.220 10.814 3.480 1.00 0.65 H new ATOM 0 HA ASN A 172 13.972 9.364 4.585 1.00 0.63 H new ATOM 0 HB2 ASN A 172 13.404 8.639 1.699 1.00 0.65 H new ATOM 0 HB3 ASN A 172 12.568 7.827 3.008 1.00 0.65 H new ATOM 0 HD21 ASN A 172 11.335 9.330 4.522 1.00 0.80 H new ATOM 0 HD22 ASN A 172 10.601 10.745 3.760 1.00 0.80 H new ATOM 2381 N TRP A 173 15.853 7.549 4.865 1.00 0.58 N ATOM 2382 CA TRP A 173 16.540 6.316 5.182 1.00 0.55 C ATOM 2383 C TRP A 173 15.644 5.471 6.075 1.00 0.54 C ATOM 2384 O TRP A 173 15.542 5.720 7.278 1.00 0.61 O ATOM 2385 CB TRP A 173 17.865 6.612 5.891 1.00 0.60 C ATOM 2386 CG TRP A 173 19.009 6.879 4.964 1.00 0.63 C ATOM 2387 CD1 TRP A 173 19.375 8.081 4.431 1.00 0.72 C ATOM 2388 CD2 TRP A 173 19.946 5.918 4.472 1.00 0.64 C ATOM 2389 NE1 TRP A 173 20.480 7.925 3.636 1.00 0.78 N ATOM 2390 CE2 TRP A 173 20.850 6.605 3.642 1.00 0.73 C ATOM 2391 CE3 TRP A 173 20.107 4.541 4.650 1.00 0.65 C ATOM 2392 CZ2 TRP A 173 21.899 5.963 2.992 1.00 0.80 C ATOM 2393 CZ3 TRP A 173 21.150 3.905 4.005 1.00 0.73 C ATOM 2394 CH2 TRP A 173 22.034 4.616 3.186 1.00 0.79 C ATOM 0 H TRP A 173 16.118 8.346 5.444 1.00 0.58 H new ATOM 0 HA TRP A 173 16.760 5.774 4.263 1.00 0.55 H new ATOM 0 HB2 TRP A 173 17.731 7.475 6.543 1.00 0.60 H new ATOM 0 HB3 TRP A 173 18.119 5.766 6.530 1.00 0.60 H new ATOM 0 HD1 TRP A 173 18.868 9.018 4.610 1.00 0.72 H new ATOM 0 HE1 TRP A 173 20.951 8.670 3.123 1.00 0.78 H new ATOM 0 HE3 TRP A 173 19.429 3.985 5.280 1.00 0.65 H new ATOM 0 HZ2 TRP A 173 22.582 6.508 2.357 1.00 0.80 H new ATOM 0 HZ3 TRP A 173 21.285 2.841 4.135 1.00 0.73 H new ATOM 0 HH2 TRP A 173 22.840 4.090 2.697 1.00 0.79 H new ATOM 2405 N LEU A 174 14.969 4.499 5.476 1.00 0.49 N ATOM 2406 CA LEU A 174 14.013 3.673 6.193 1.00 0.49 C ATOM 2407 C LEU A 174 14.683 2.928 7.337 1.00 0.53 C ATOM 2408 O LEU A 174 15.661 2.191 7.134 1.00 0.56 O ATOM 2409 CB LEU A 174 13.332 2.681 5.256 1.00 0.48 C ATOM 2410 CG LEU A 174 12.482 3.282 4.136 1.00 0.50 C ATOM 2411 CD1 LEU A 174 11.523 2.231 3.606 1.00 0.52 C ATOM 2412 CD2 LEU A 174 11.724 4.508 4.623 1.00 0.54 C ATOM 0 H LEU A 174 15.069 4.264 4.488 1.00 0.49 H new ATOM 0 HA LEU A 174 13.255 4.338 6.607 1.00 0.49 H new ATOM 0 HB2 LEU A 174 14.101 2.054 4.804 1.00 0.48 H new ATOM 0 HB3 LEU A 174 12.698 2.026 5.853 1.00 0.48 H new ATOM 0 HG LEU A 174 13.141 3.603 3.329 1.00 0.50 H new ATOM 0 HD11 LEU A 174 10.918 2.660 2.808 1.00 0.52 H new ATOM 0 HD12 LEU A 174 12.089 1.385 3.217 1.00 0.52 H new ATOM 0 HD13 LEU A 174 10.873 1.892 4.412 1.00 0.52 H new ATOM 0 HD21 LEU A 174 11.128 4.915 3.806 1.00 0.54 H new ATOM 0 HD22 LEU A 174 11.068 4.227 5.446 1.00 0.54 H new ATOM 0 HD23 LEU A 174 12.433 5.262 4.966 1.00 0.54 H new ATOM 2424 N ASP A 175 14.102 3.096 8.521 1.00 0.61 N ATOM 2425 CA ASP A 175 14.717 2.691 9.784 1.00 0.72 C ATOM 2426 C ASP A 175 14.467 1.224 10.118 1.00 0.68 C ATOM 2427 O ASP A 175 15.089 0.691 11.036 1.00 0.75 O ATOM 2428 CB ASP A 175 14.152 3.544 10.918 1.00 0.93 C ATOM 2429 CG ASP A 175 12.777 3.066 11.360 1.00 1.83 C ATOM 2430 OD1 ASP A 175 11.860 2.988 10.511 1.00 2.56 O ATOM 2431 OD2 ASP A 175 12.622 2.731 12.555 1.00 2.37 O ATOM 0 H ASP A 175 13.182 3.521 8.633 1.00 0.61 H new ATOM 0 HA ASP A 175 15.792 2.833 9.674 1.00 0.72 H new ATOM 0 HB2 ASP A 175 14.835 3.517 11.767 1.00 0.93 H new ATOM 0 HB3 ASP A 175 14.088 4.582 10.593 1.00 0.93 H new ATOM 2436 N HIS A 176 13.548 0.594 9.383 1.00 0.66 N ATOM 2437 CA HIS A 176 13.126 -0.790 9.649 1.00 0.71 C ATOM 2438 C HIS A 176 12.149 -0.861 10.816 1.00 0.83 C ATOM 2439 O HIS A 176 12.101 -1.856 11.535 1.00 1.10 O ATOM 2440 CB HIS A 176 14.317 -1.722 9.911 1.00 0.71 C ATOM 2441 CG HIS A 176 15.052 -2.116 8.676 1.00 0.69 C ATOM 2442 ND1 HIS A 176 14.585 -3.070 7.811 1.00 0.77 N ATOM 2443 CD2 HIS A 176 16.211 -1.668 8.150 1.00 0.67 C ATOM 2444 CE1 HIS A 176 15.420 -3.192 6.803 1.00 0.76 C ATOM 2445 NE2 HIS A 176 16.425 -2.358 6.981 1.00 0.69 N ATOM 0 H HIS A 176 13.075 1.024 8.588 1.00 0.66 H new ATOM 0 HA HIS A 176 12.622 -1.133 8.745 1.00 0.71 H new ATOM 0 HB2 HIS A 176 15.009 -1.229 10.594 1.00 0.71 H new ATOM 0 HB3 HIS A 176 13.960 -2.621 10.413 1.00 0.71 H new ATOM 0 HD2 HIS A 176 16.852 -0.907 8.570 1.00 0.67 H new ATOM 0 HE1 HIS A 176 15.302 -3.865 5.967 1.00 0.76 H new ATOM 0 HE2 HIS A 176 17.225 -2.244 6.358 1.00 0.69 H new ATOM 2454 N GLY A 177 11.348 0.179 10.986 1.00 0.82 N ATOM 2455 CA GLY A 177 10.373 0.179 12.060 1.00 0.96 C ATOM 2456 C GLY A 177 9.114 0.939 11.707 1.00 1.00 C ATOM 2457 O GLY A 177 8.004 0.489 11.994 1.00 1.34 O ATOM 0 H GLY A 177 11.353 1.018 10.406 1.00 0.82 H new ATOM 0 HA2 GLY A 177 10.113 -0.850 12.309 1.00 0.96 H new ATOM 0 HA3 GLY A 177 10.820 0.620 12.951 1.00 0.96 H new ATOM 2461 N ARG A 178 9.283 2.093 11.089 1.00 0.90 N ATOM 2462 CA ARG A 178 8.158 2.934 10.713 1.00 0.99 C ATOM 2463 C ARG A 178 7.503 2.427 9.426 1.00 0.87 C ATOM 2464 O ARG A 178 8.191 1.979 8.504 1.00 0.86 O ATOM 2465 CB ARG A 178 8.633 4.382 10.562 1.00 1.22 C ATOM 2466 CG ARG A 178 7.573 5.348 10.063 1.00 1.27 C ATOM 2467 CD ARG A 178 8.048 6.786 10.177 1.00 1.18 C ATOM 2468 NE ARG A 178 9.410 6.956 9.672 1.00 1.23 N ATOM 2469 CZ ARG A 178 10.040 8.127 9.602 1.00 1.74 C ATOM 2470 NH1 ARG A 178 9.419 9.250 9.947 1.00 2.16 N ATOM 2471 NH2 ARG A 178 11.297 8.176 9.180 1.00 2.18 N ATOM 0 H ARG A 178 10.195 2.473 10.835 1.00 0.90 H new ATOM 0 HA ARG A 178 7.402 2.893 11.497 1.00 0.99 H new ATOM 0 HB2 ARG A 178 8.999 4.732 11.527 1.00 1.22 H new ATOM 0 HB3 ARG A 178 9.478 4.403 9.873 1.00 1.22 H new ATOM 0 HG2 ARG A 178 7.331 5.123 9.024 1.00 1.27 H new ATOM 0 HG3 ARG A 178 6.657 5.217 10.639 1.00 1.27 H new ATOM 0 HD2 ARG A 178 7.372 7.436 9.622 1.00 1.18 H new ATOM 0 HD3 ARG A 178 8.007 7.100 11.220 1.00 1.18 H new ATOM 0 HE ARG A 178 9.909 6.125 9.353 1.00 1.23 H new ATOM 0 HH11 ARG A 178 8.452 9.220 10.269 1.00 2.16 H new ATOM 0 HH12 ARG A 178 9.910 10.142 9.890 1.00 2.16 H new ATOM 0 HH21 ARG A 178 11.778 7.318 8.910 1.00 2.18 H new ATOM 0 HH22 ARG A 178 11.782 9.072 9.125 1.00 2.18 H new ATOM 2485 N THR A 179 6.175 2.477 9.380 1.00 0.91 N ATOM 2486 CA THR A 179 5.428 2.035 8.211 1.00 0.89 C ATOM 2487 C THR A 179 5.534 3.056 7.076 1.00 0.86 C ATOM 2488 O THR A 179 6.107 4.134 7.239 1.00 0.91 O ATOM 2489 CB THR A 179 3.940 1.767 8.551 1.00 1.05 C ATOM 2490 OG1 THR A 179 3.240 1.261 7.406 1.00 1.20 O ATOM 2491 CG2 THR A 179 3.252 3.029 9.043 1.00 1.11 C ATOM 0 H THR A 179 5.593 2.821 10.144 1.00 0.91 H new ATOM 0 HA THR A 179 5.873 1.096 7.881 1.00 0.89 H new ATOM 0 HB THR A 179 3.918 1.021 9.346 1.00 1.05 H new ATOM 0 HG1 THR A 179 3.670 0.436 7.098 1.00 1.20 H new ATOM 0 HG21 THR A 179 2.210 2.809 9.273 1.00 1.11 H new ATOM 0 HG22 THR A 179 3.754 3.390 9.941 1.00 1.11 H new ATOM 0 HG23 THR A 179 3.299 3.794 8.268 1.00 1.11 H new ATOM 2499 N LEU A 180 4.969 2.711 5.933 1.00 0.84 N ATOM 2500 CA LEU A 180 5.141 3.488 4.719 1.00 0.84 C ATOM 2501 C LEU A 180 4.051 4.541 4.561 1.00 0.93 C ATOM 2502 O LEU A 180 4.316 5.651 4.101 1.00 0.97 O ATOM 2503 CB LEU A 180 5.152 2.538 3.528 1.00 0.85 C ATOM 2504 CG LEU A 180 6.166 1.402 3.657 1.00 0.83 C ATOM 2505 CD1 LEU A 180 5.991 0.387 2.544 1.00 1.08 C ATOM 2506 CD2 LEU A 180 7.580 1.955 3.664 1.00 0.90 C ATOM 0 H LEU A 180 4.379 1.886 5.820 1.00 0.84 H new ATOM 0 HA LEU A 180 6.088 4.024 4.775 1.00 0.84 H new ATOM 0 HB2 LEU A 180 4.156 2.112 3.405 1.00 0.85 H new ATOM 0 HB3 LEU A 180 5.369 3.106 2.623 1.00 0.85 H new ATOM 0 HG LEU A 180 5.989 0.892 4.604 1.00 0.83 H new ATOM 0 HD11 LEU A 180 6.725 -0.410 2.660 1.00 1.08 H new ATOM 0 HD12 LEU A 180 4.987 -0.035 2.591 1.00 1.08 H new ATOM 0 HD13 LEU A 180 6.135 0.875 1.580 1.00 1.08 H new ATOM 0 HD21 LEU A 180 8.291 1.134 3.756 1.00 0.90 H new ATOM 0 HD22 LEU A 180 7.765 2.493 2.734 1.00 0.90 H new ATOM 0 HD23 LEU A 180 7.700 2.636 4.507 1.00 0.90 H new ATOM 2518 N ARG A 181 2.836 4.206 4.973 1.00 1.02 N ATOM 2519 CA ARG A 181 1.707 5.119 4.827 1.00 1.13 C ATOM 2520 C ARG A 181 1.784 6.245 5.861 1.00 1.18 C ATOM 2521 O ARG A 181 1.157 7.289 5.711 1.00 1.36 O ATOM 2522 CB ARG A 181 0.388 4.346 4.942 1.00 1.22 C ATOM 2523 CG ARG A 181 -0.845 5.145 4.535 1.00 1.15 C ATOM 2524 CD ARG A 181 -0.655 5.854 3.198 1.00 0.69 C ATOM 2525 NE ARG A 181 -0.095 4.975 2.171 1.00 1.10 N ATOM 2526 CZ ARG A 181 0.373 5.405 0.996 1.00 2.02 C ATOM 2527 NH1 ARG A 181 0.270 6.685 0.661 1.00 2.54 N ATOM 2528 NH2 ARG A 181 0.946 4.551 0.159 1.00 2.64 N ATOM 0 H ARG A 181 2.606 3.313 5.409 1.00 1.02 H new ATOM 0 HA ARG A 181 1.749 5.577 3.839 1.00 1.13 H new ATOM 0 HB2 ARG A 181 0.449 3.452 4.321 1.00 1.22 H new ATOM 0 HB3 ARG A 181 0.266 4.011 5.972 1.00 1.22 H new ATOM 0 HG2 ARG A 181 -1.704 4.477 4.472 1.00 1.15 H new ATOM 0 HG3 ARG A 181 -1.070 5.881 5.306 1.00 1.15 H new ATOM 0 HD2 ARG A 181 -1.615 6.241 2.856 1.00 0.69 H new ATOM 0 HD3 ARG A 181 0.003 6.712 3.336 1.00 0.69 H new ATOM 0 HE ARG A 181 -0.060 3.974 2.364 1.00 1.10 H new ATOM 0 HH11 ARG A 181 -0.168 7.346 1.302 1.00 2.54 H new ATOM 0 HH12 ARG A 181 0.629 7.008 -0.238 1.00 2.54 H new ATOM 0 HH21 ARG A 181 1.029 3.567 0.412 1.00 2.64 H new ATOM 0 HH22 ARG A 181 1.304 4.879 -0.738 1.00 2.64 H new ATOM 2542 N GLU A 182 2.591 6.033 6.892 1.00 1.11 N ATOM 2543 CA GLU A 182 2.835 7.054 7.905 1.00 1.18 C ATOM 2544 C GLU A 182 3.940 7.983 7.418 1.00 1.16 C ATOM 2545 O GLU A 182 4.072 9.113 7.874 1.00 1.25 O ATOM 2546 CB GLU A 182 3.224 6.385 9.230 1.00 1.25 C ATOM 2547 CG GLU A 182 3.558 7.344 10.365 1.00 1.34 C ATOM 2548 CD GLU A 182 2.401 8.248 10.743 1.00 1.89 C ATOM 2549 OE1 GLU A 182 1.333 7.725 11.128 1.00 2.30 O ATOM 2550 OE2 GLU A 182 2.547 9.484 10.638 1.00 2.31 O ATOM 0 H GLU A 182 3.091 5.158 7.050 1.00 1.11 H new ATOM 0 HA GLU A 182 1.931 7.640 8.073 1.00 1.18 H new ATOM 0 HB2 GLU A 182 2.404 5.741 9.548 1.00 1.25 H new ATOM 0 HB3 GLU A 182 4.085 5.741 9.054 1.00 1.25 H new ATOM 0 HG2 GLU A 182 3.863 6.769 11.240 1.00 1.34 H new ATOM 0 HG3 GLU A 182 4.410 7.958 10.074 1.00 1.34 H new ATOM 2557 N GLN A 183 4.729 7.492 6.475 1.00 1.07 N ATOM 2558 CA GLN A 183 5.739 8.311 5.828 1.00 1.06 C ATOM 2559 C GLN A 183 5.131 9.015 4.625 1.00 1.13 C ATOM 2560 O GLN A 183 5.668 10.005 4.128 1.00 1.22 O ATOM 2561 CB GLN A 183 6.924 7.452 5.402 1.00 1.00 C ATOM 2562 CG GLN A 183 7.682 6.856 6.572 1.00 1.00 C ATOM 2563 CD GLN A 183 8.833 5.995 6.119 1.00 1.04 C ATOM 2564 OE1 GLN A 183 9.940 6.484 5.918 1.00 1.65 O ATOM 2565 NE2 GLN A 183 8.586 4.702 5.978 1.00 0.81 N ATOM 0 H GLN A 183 4.688 6.529 6.141 1.00 1.07 H new ATOM 0 HA GLN A 183 6.098 9.061 6.533 1.00 1.06 H new ATOM 0 HB2 GLN A 183 6.568 6.646 4.760 1.00 1.00 H new ATOM 0 HB3 GLN A 183 7.607 8.057 4.805 1.00 1.00 H new ATOM 0 HG2 GLN A 183 8.057 7.658 7.207 1.00 1.00 H new ATOM 0 HG3 GLN A 183 7.001 6.260 7.180 1.00 1.00 H new ATOM 0 HE21 GLN A 183 7.649 4.339 6.156 1.00 0.81 H new ATOM 0 HE22 GLN A 183 9.332 4.069 5.691 1.00 0.81 H new ATOM 2574 N GLY A 184 3.993 8.496 4.174 1.00 1.16 N ATOM 2575 CA GLY A 184 3.269 9.098 3.072 1.00 1.28 C ATOM 2576 C GLY A 184 4.070 9.103 1.792 1.00 1.23 C ATOM 2577 O GLY A 184 3.976 10.036 1.001 1.00 1.38 O ATOM 0 H GLY A 184 3.556 7.659 4.559 1.00 1.16 H new ATOM 0 HA2 GLY A 184 2.338 8.555 2.913 1.00 1.28 H new ATOM 0 HA3 GLY A 184 3.000 10.121 3.333 1.00 1.28 H new ATOM 2581 N VAL A 185 4.883 8.072 1.610 1.00 1.10 N ATOM 2582 CA VAL A 185 5.712 7.952 0.423 1.00 1.08 C ATOM 2583 C VAL A 185 4.886 7.514 -0.785 1.00 1.02 C ATOM 2584 O VAL A 185 4.066 6.600 -0.688 1.00 1.15 O ATOM 2585 CB VAL A 185 6.862 6.953 0.664 1.00 1.13 C ATOM 2586 CG1 VAL A 185 7.824 7.499 1.709 1.00 1.31 C ATOM 2587 CG2 VAL A 185 6.318 5.601 1.106 1.00 1.14 C ATOM 0 H VAL A 185 4.985 7.304 2.274 1.00 1.10 H new ATOM 0 HA VAL A 185 6.134 8.935 0.212 1.00 1.08 H new ATOM 0 HB VAL A 185 7.400 6.817 -0.274 1.00 1.13 H new ATOM 0 HG11 VAL A 185 8.631 6.784 1.870 1.00 1.31 H new ATOM 0 HG12 VAL A 185 8.241 8.444 1.361 1.00 1.31 H new ATOM 0 HG13 VAL A 185 7.290 7.660 2.646 1.00 1.31 H new ATOM 0 HG21 VAL A 185 7.146 4.912 1.270 1.00 1.14 H new ATOM 0 HG22 VAL A 185 5.756 5.720 2.032 1.00 1.14 H new ATOM 0 HG23 VAL A 185 5.662 5.202 0.332 1.00 1.14 H new ATOM 2597 N GLU A 186 5.108 8.169 -1.919 1.00 0.93 N ATOM 2598 CA GLU A 186 4.385 7.853 -3.135 1.00 0.92 C ATOM 2599 C GLU A 186 4.963 6.614 -3.795 1.00 0.83 C ATOM 2600 O GLU A 186 5.996 6.082 -3.371 1.00 0.82 O ATOM 2601 CB GLU A 186 4.418 9.030 -4.116 1.00 1.02 C ATOM 2602 CG GLU A 186 3.752 10.287 -3.588 1.00 1.46 C ATOM 2603 CD GLU A 186 2.238 10.182 -3.543 1.00 2.45 C ATOM 2604 OE1 GLU A 186 1.707 9.049 -3.560 1.00 2.97 O ATOM 2605 OE2 GLU A 186 1.568 11.236 -3.533 1.00 3.02 O ATOM 0 H GLU A 186 5.787 8.924 -2.017 1.00 0.93 H new ATOM 0 HA GLU A 186 3.348 7.657 -2.863 1.00 0.92 H new ATOM 0 HB2 GLU A 186 5.455 9.256 -4.363 1.00 1.02 H new ATOM 0 HB3 GLU A 186 3.928 8.732 -5.043 1.00 1.02 H new ATOM 0 HG2 GLU A 186 4.126 10.496 -2.586 1.00 1.46 H new ATOM 0 HG3 GLU A 186 4.034 11.132 -4.216 1.00 1.46 H new ATOM 2612 N GLU A 187 4.303 6.169 -4.845 1.00 0.89 N ATOM 2613 CA GLU A 187 4.666 4.934 -5.512 1.00 0.91 C ATOM 2614 C GLU A 187 5.608 5.173 -6.689 1.00 0.91 C ATOM 2615 O GLU A 187 6.164 4.232 -7.247 1.00 1.14 O ATOM 2616 CB GLU A 187 3.404 4.220 -5.979 1.00 1.05 C ATOM 2617 CG GLU A 187 2.700 3.419 -4.889 1.00 1.11 C ATOM 2618 CD GLU A 187 1.923 4.272 -3.902 1.00 1.36 C ATOM 2619 OE1 GLU A 187 2.525 4.785 -2.940 1.00 1.86 O ATOM 2620 OE2 GLU A 187 0.695 4.409 -4.081 1.00 1.72 O ATOM 0 H GLU A 187 3.504 6.650 -5.259 1.00 0.89 H new ATOM 0 HA GLU A 187 5.201 4.309 -4.797 1.00 0.91 H new ATOM 0 HB2 GLU A 187 2.709 4.958 -6.378 1.00 1.05 H new ATOM 0 HB3 GLU A 187 3.662 3.549 -6.798 1.00 1.05 H new ATOM 0 HG2 GLU A 187 2.017 2.710 -5.357 1.00 1.11 H new ATOM 0 HG3 GLU A 187 3.442 2.835 -4.344 1.00 1.11 H new ATOM 2627 N HIS A 188 5.804 6.431 -7.048 1.00 0.92 N ATOM 2628 CA HIS A 188 6.625 6.772 -8.210 1.00 0.95 C ATOM 2629 C HIS A 188 8.011 7.262 -7.796 1.00 0.92 C ATOM 2630 O HIS A 188 8.793 7.709 -8.631 1.00 1.01 O ATOM 2631 CB HIS A 188 5.924 7.835 -9.068 1.00 1.04 C ATOM 2632 CG HIS A 188 5.478 9.037 -8.295 1.00 1.03 C ATOM 2633 ND1 HIS A 188 4.161 9.281 -7.985 1.00 1.09 N ATOM 2634 CD2 HIS A 188 6.185 10.047 -7.742 1.00 1.08 C ATOM 2635 CE1 HIS A 188 4.079 10.388 -7.272 1.00 1.14 C ATOM 2636 NE2 HIS A 188 5.291 10.874 -7.113 1.00 1.15 N ATOM 0 H HIS A 188 5.410 7.234 -6.557 1.00 0.92 H new ATOM 0 HA HIS A 188 6.753 5.864 -8.799 1.00 0.95 H new ATOM 0 HB2 HIS A 188 6.602 8.155 -9.860 1.00 1.04 H new ATOM 0 HB3 HIS A 188 5.058 7.384 -9.553 1.00 1.04 H new ATOM 0 HD2 HIS A 188 7.256 10.178 -7.787 1.00 1.08 H new ATOM 0 HE1 HIS A 188 3.169 10.822 -6.884 1.00 1.14 H new ATOM 0 HE2 HIS A 188 5.527 11.726 -6.605 1.00 1.15 H new ATOM 2645 N GLU A 189 8.304 7.179 -6.507 1.00 0.89 N ATOM 2646 CA GLU A 189 9.593 7.624 -5.983 1.00 0.92 C ATOM 2647 C GLU A 189 10.626 6.492 -6.078 1.00 0.78 C ATOM 2648 O GLU A 189 10.287 5.334 -5.830 1.00 0.74 O ATOM 2649 CB GLU A 189 9.435 8.040 -4.523 1.00 1.10 C ATOM 2650 CG GLU A 189 8.195 8.874 -4.225 1.00 1.37 C ATOM 2651 CD GLU A 189 8.277 10.285 -4.769 1.00 1.82 C ATOM 2652 OE1 GLU A 189 9.383 10.848 -4.800 1.00 2.38 O ATOM 2653 OE2 GLU A 189 7.231 10.844 -5.145 1.00 2.34 O ATOM 0 H GLU A 189 7.668 6.808 -5.801 1.00 0.89 H new ATOM 0 HA GLU A 189 9.938 8.472 -6.574 1.00 0.92 H new ATOM 0 HB2 GLU A 189 9.409 7.142 -3.905 1.00 1.10 H new ATOM 0 HB3 GLU A 189 10.317 8.607 -4.224 1.00 1.10 H new ATOM 0 HG2 GLU A 189 7.322 8.379 -4.649 1.00 1.37 H new ATOM 0 HG3 GLU A 189 8.045 8.916 -3.146 1.00 1.37 H new ATOM 2660 N THR A 190 11.870 6.811 -6.449 1.00 0.74 N ATOM 2661 CA THR A 190 12.925 5.796 -6.525 1.00 0.66 C ATOM 2662 C THR A 190 13.539 5.520 -5.150 1.00 0.57 C ATOM 2663 O THR A 190 13.933 6.438 -4.435 1.00 0.61 O ATOM 2664 CB THR A 190 14.040 6.211 -7.507 1.00 0.70 C ATOM 2665 OG1 THR A 190 13.459 6.625 -8.752 1.00 0.81 O ATOM 2666 CG2 THR A 190 15.005 5.052 -7.760 1.00 0.66 C ATOM 0 H THR A 190 12.169 7.754 -6.699 1.00 0.74 H new ATOM 0 HA THR A 190 12.453 4.884 -6.891 1.00 0.66 H new ATOM 0 HB THR A 190 14.596 7.037 -7.063 1.00 0.70 H new ATOM 0 HG1 THR A 190 14.170 6.890 -9.373 1.00 0.81 H new ATOM 0 HG21 THR A 190 15.782 5.370 -8.455 1.00 0.66 H new ATOM 0 HG22 THR A 190 15.463 4.748 -6.819 1.00 0.66 H new ATOM 0 HG23 THR A 190 14.459 4.210 -8.186 1.00 0.66 H new ATOM 2674 N LEU A 191 13.616 4.247 -4.789 1.00 0.48 N ATOM 2675 CA LEU A 191 14.155 3.837 -3.499 1.00 0.42 C ATOM 2676 C LEU A 191 15.406 2.997 -3.732 1.00 0.39 C ATOM 2677 O LEU A 191 15.493 2.275 -4.725 1.00 0.38 O ATOM 2678 CB LEU A 191 13.135 3.014 -2.685 1.00 0.41 C ATOM 2679 CG LEU A 191 11.666 3.485 -2.693 1.00 0.51 C ATOM 2680 CD1 LEU A 191 11.553 4.999 -2.649 1.00 1.01 C ATOM 2681 CD2 LEU A 191 10.920 2.923 -3.892 1.00 0.82 C ATOM 0 H LEU A 191 13.309 3.473 -5.378 1.00 0.48 H new ATOM 0 HA LEU A 191 14.391 4.735 -2.928 1.00 0.42 H new ATOM 0 HB2 LEU A 191 13.161 1.989 -3.054 1.00 0.41 H new ATOM 0 HB3 LEU A 191 13.474 2.989 -1.649 1.00 0.41 H new ATOM 0 HG LEU A 191 11.201 3.098 -1.786 1.00 0.51 H new ATOM 0 HD11 LEU A 191 10.501 5.286 -2.656 1.00 1.01 H new ATOM 0 HD12 LEU A 191 12.025 5.373 -1.740 1.00 1.01 H new ATOM 0 HD13 LEU A 191 12.052 5.427 -3.519 1.00 1.01 H new ATOM 0 HD21 LEU A 191 9.887 3.270 -3.873 1.00 0.82 H new ATOM 0 HD22 LEU A 191 11.400 3.261 -4.810 1.00 0.82 H new ATOM 0 HD23 LEU A 191 10.937 1.834 -3.853 1.00 0.82 H new ATOM 2693 N LEU A 192 16.381 3.089 -2.845 1.00 0.39 N ATOM 2694 CA LEU A 192 17.633 2.371 -3.031 1.00 0.41 C ATOM 2695 C LEU A 192 17.852 1.362 -1.913 1.00 0.40 C ATOM 2696 O LEU A 192 17.613 1.661 -0.739 1.00 0.44 O ATOM 2697 CB LEU A 192 18.793 3.362 -3.038 1.00 0.44 C ATOM 2698 CG LEU A 192 18.483 4.713 -3.677 1.00 0.49 C ATOM 2699 CD1 LEU A 192 19.522 5.736 -3.265 1.00 0.56 C ATOM 2700 CD2 LEU A 192 18.428 4.595 -5.189 1.00 0.50 C ATOM 0 H LEU A 192 16.333 3.649 -1.994 1.00 0.39 H new ATOM 0 HA LEU A 192 17.584 1.839 -3.981 1.00 0.41 H new ATOM 0 HB2 LEU A 192 19.115 3.529 -2.010 1.00 0.44 H new ATOM 0 HB3 LEU A 192 19.633 2.911 -3.566 1.00 0.44 H new ATOM 0 HG LEU A 192 17.505 5.043 -3.326 1.00 0.49 H new ATOM 0 HD11 LEU A 192 19.291 6.696 -3.727 1.00 0.56 H new ATOM 0 HD12 LEU A 192 19.516 5.844 -2.180 1.00 0.56 H new ATOM 0 HD13 LEU A 192 20.508 5.405 -3.591 1.00 0.56 H new ATOM 0 HD21 LEU A 192 18.206 5.570 -5.622 1.00 0.50 H new ATOM 0 HD22 LEU A 192 19.390 4.243 -5.562 1.00 0.50 H new ATOM 0 HD23 LEU A 192 17.649 3.887 -5.471 1.00 0.50 H new ATOM 2712 N LEU A 193 18.288 0.169 -2.280 1.00 0.43 N ATOM 2713 CA LEU A 193 18.683 -0.835 -1.307 1.00 0.50 C ATOM 2714 C LEU A 193 20.146 -0.621 -0.923 1.00 0.47 C ATOM 2715 O LEU A 193 21.016 -0.540 -1.791 1.00 0.49 O ATOM 2716 CB LEU A 193 18.453 -2.233 -1.902 1.00 0.68 C ATOM 2717 CG LEU A 193 18.686 -3.417 -0.961 1.00 0.44 C ATOM 2718 CD1 LEU A 193 17.783 -4.571 -1.350 1.00 1.09 C ATOM 2719 CD2 LEU A 193 20.132 -3.873 -1.013 1.00 1.03 C ATOM 0 H LEU A 193 18.378 -0.129 -3.251 1.00 0.43 H new ATOM 0 HA LEU A 193 18.081 -0.747 -0.403 1.00 0.50 H new ATOM 0 HB2 LEU A 193 17.428 -2.284 -2.269 1.00 0.68 H new ATOM 0 HB3 LEU A 193 19.107 -2.349 -2.766 1.00 0.68 H new ATOM 0 HG LEU A 193 18.456 -3.094 0.054 1.00 0.44 H new ATOM 0 HD11 LEU A 193 17.954 -5.410 -0.676 1.00 1.09 H new ATOM 0 HD12 LEU A 193 16.741 -4.257 -1.281 1.00 1.09 H new ATOM 0 HD13 LEU A 193 18.003 -4.876 -2.373 1.00 1.09 H new ATOM 0 HD21 LEU A 193 20.272 -4.715 -0.336 1.00 1.03 H new ATOM 0 HD22 LEU A 193 20.381 -4.179 -2.029 1.00 1.03 H new ATOM 0 HD23 LEU A 193 20.783 -3.053 -0.712 1.00 1.03 H new ATOM 2731 N ARG A 194 20.412 -0.506 0.373 1.00 0.46 N ATOM 2732 CA ARG A 194 21.753 -0.203 0.856 1.00 0.46 C ATOM 2733 C ARG A 194 22.238 -1.272 1.816 1.00 0.44 C ATOM 2734 O ARG A 194 21.461 -1.799 2.609 1.00 0.49 O ATOM 2735 CB ARG A 194 21.768 1.146 1.573 1.00 0.53 C ATOM 2736 CG ARG A 194 21.467 2.332 0.676 1.00 0.60 C ATOM 2737 CD ARG A 194 22.543 2.535 -0.373 1.00 0.65 C ATOM 2738 NE ARG A 194 23.882 2.527 0.212 1.00 0.69 N ATOM 2739 CZ ARG A 194 25.001 2.509 -0.504 1.00 0.95 C ATOM 2740 NH1 ARG A 194 24.945 2.618 -1.828 1.00 1.25 N ATOM 2741 NH2 ARG A 194 26.173 2.405 0.106 1.00 1.06 N ATOM 0 H ARG A 194 19.715 -0.618 1.109 1.00 0.46 H new ATOM 0 HA ARG A 194 22.416 -0.169 -0.009 1.00 0.46 H new ATOM 0 HB2 ARG A 194 21.038 1.123 2.382 1.00 0.53 H new ATOM 0 HB3 ARG A 194 22.747 1.290 2.031 1.00 0.53 H new ATOM 0 HG2 ARG A 194 20.505 2.181 0.185 1.00 0.60 H new ATOM 0 HG3 ARG A 194 21.377 3.233 1.283 1.00 0.60 H new ATOM 0 HD2 ARG A 194 22.470 1.749 -1.125 1.00 0.65 H new ATOM 0 HD3 ARG A 194 22.376 3.482 -0.886 1.00 0.65 H new ATOM 0 HE ARG A 194 23.962 2.536 1.229 1.00 0.69 H new ATOM 0 HH11 ARG A 194 24.043 2.715 -2.294 1.00 1.25 H new ATOM 0 HH12 ARG A 194 25.804 2.604 -2.378 1.00 1.25 H new ATOM 0 HH21 ARG A 194 26.215 2.339 1.123 1.00 1.06 H new ATOM 0 HH22 ARG A 194 27.033 2.391 -0.442 1.00 1.06 H new ATOM 2755 N ARG A 195 23.521 -1.581 1.755 1.00 0.45 N ATOM 2756 CA ARG A 195 24.104 -2.553 2.662 1.00 0.50 C ATOM 2757 C ARG A 195 24.464 -1.882 3.981 1.00 0.55 C ATOM 2758 O ARG A 195 25.326 -1.000 4.025 1.00 0.64 O ATOM 2759 CB ARG A 195 25.345 -3.190 2.037 1.00 0.59 C ATOM 2760 CG ARG A 195 25.708 -4.530 2.647 1.00 1.02 C ATOM 2761 CD ARG A 195 26.935 -5.127 1.985 1.00 1.07 C ATOM 2762 NE ARG A 195 26.966 -6.584 2.118 1.00 1.49 N ATOM 2763 CZ ARG A 195 27.827 -7.369 1.470 1.00 2.13 C ATOM 2764 NH1 ARG A 195 28.839 -6.840 0.793 1.00 2.34 N ATOM 2765 NH2 ARG A 195 27.691 -8.687 1.522 1.00 2.68 N ATOM 0 H ARG A 195 24.177 -1.174 1.089 1.00 0.45 H new ATOM 0 HA ARG A 195 23.372 -3.338 2.852 1.00 0.50 H new ATOM 0 HB2 ARG A 195 25.178 -3.320 0.968 1.00 0.59 H new ATOM 0 HB3 ARG A 195 26.189 -2.509 2.148 1.00 0.59 H new ATOM 0 HG2 ARG A 195 25.892 -4.407 3.714 1.00 1.02 H new ATOM 0 HG3 ARG A 195 24.868 -5.217 2.546 1.00 1.02 H new ATOM 0 HD2 ARG A 195 26.946 -4.858 0.929 1.00 1.07 H new ATOM 0 HD3 ARG A 195 27.833 -4.701 2.432 1.00 1.07 H new ATOM 0 HE ARG A 195 26.290 -7.024 2.742 1.00 1.49 H new ATOM 0 HH11 ARG A 195 28.961 -5.828 0.767 1.00 2.34 H new ATOM 0 HH12 ARG A 195 29.494 -7.446 0.299 1.00 2.34 H new ATOM 0 HH21 ARG A 195 26.928 -9.100 2.058 1.00 2.68 H new ATOM 0 HH22 ARG A 195 28.350 -9.288 1.026 1.00 2.68 H new ATOM 2779 N LYS A 196 23.786 -2.284 5.047 1.00 0.60 N ATOM 2780 CA LYS A 196 24.038 -1.725 6.367 1.00 0.69 C ATOM 2781 C LYS A 196 25.147 -2.499 7.064 1.00 0.76 C ATOM 2782 O LYS A 196 26.081 -1.913 7.613 1.00 0.88 O ATOM 2783 CB LYS A 196 22.765 -1.748 7.222 1.00 0.75 C ATOM 2784 CG LYS A 196 22.987 -1.254 8.644 1.00 0.88 C ATOM 2785 CD LYS A 196 21.705 -1.264 9.461 1.00 1.28 C ATOM 2786 CE LYS A 196 21.975 -0.841 10.899 1.00 1.65 C ATOM 2787 NZ LYS A 196 20.735 -0.779 11.715 1.00 2.15 N ATOM 0 H LYS A 196 23.056 -2.996 5.023 1.00 0.60 H new ATOM 0 HA LYS A 196 24.351 -0.688 6.243 1.00 0.69 H new ATOM 0 HB2 LYS A 196 22.004 -1.131 6.745 1.00 0.75 H new ATOM 0 HB3 LYS A 196 22.376 -2.766 7.255 1.00 0.75 H new ATOM 0 HG2 LYS A 196 23.732 -1.881 9.133 1.00 0.88 H new ATOM 0 HG3 LYS A 196 23.391 -0.242 8.617 1.00 0.88 H new ATOM 0 HD2 LYS A 196 20.976 -0.590 9.010 1.00 1.28 H new ATOM 0 HD3 LYS A 196 21.268 -2.262 9.447 1.00 1.28 H new ATOM 0 HE2 LYS A 196 22.672 -1.543 11.356 1.00 1.65 H new ATOM 0 HE3 LYS A 196 22.458 0.136 10.903 1.00 1.65 H new ATOM 0 HZ1 LYS A 196 20.972 -0.487 12.685 1.00 2.15 H new ATOM 0 HZ2 LYS A 196 20.078 -0.090 11.296 1.00 2.15 H new ATOM 0 HZ3 LYS A 196 20.286 -1.717 11.736 1.00 2.15 H new ATOM 2801 N PHE A 197 25.041 -3.818 7.029 1.00 0.77 N ATOM 2802 CA PHE A 197 26.025 -4.677 7.661 1.00 0.89 C ATOM 2803 C PHE A 197 27.059 -5.123 6.641 1.00 0.96 C ATOM 2804 O PHE A 197 26.729 -5.382 5.483 1.00 0.92 O ATOM 2805 CB PHE A 197 25.362 -5.908 8.272 1.00 0.95 C ATOM 2806 CG PHE A 197 24.331 -5.607 9.326 1.00 0.94 C ATOM 2807 CD1 PHE A 197 23.016 -5.352 8.978 1.00 0.92 C ATOM 2808 CD2 PHE A 197 24.686 -5.559 10.661 1.00 1.14 C ATOM 2809 CE1 PHE A 197 22.075 -5.053 9.949 1.00 0.95 C ATOM 2810 CE2 PHE A 197 23.756 -5.264 11.634 1.00 1.19 C ATOM 2811 CZ PHE A 197 22.409 -5.096 11.266 1.00 1.03 C ATOM 0 H PHE A 197 24.280 -4.317 6.568 1.00 0.77 H new ATOM 0 HA PHE A 197 26.510 -4.107 8.453 1.00 0.89 H new ATOM 0 HB2 PHE A 197 24.891 -6.483 7.475 1.00 0.95 H new ATOM 0 HB3 PHE A 197 26.134 -6.541 8.708 1.00 0.95 H new ATOM 0 HD1 PHE A 197 22.721 -5.387 7.940 1.00 0.92 H new ATOM 0 HD2 PHE A 197 25.709 -5.756 10.946 1.00 1.14 H new ATOM 0 HE1 PHE A 197 21.070 -4.784 9.658 1.00 0.95 H new ATOM 0 HE2 PHE A 197 24.058 -5.163 12.666 1.00 1.19 H new ATOM 0 HZ PHE A 197 21.646 -5.002 12.024 1.00 1.03 H new ATOM 2821 N PHE A 198 28.302 -5.234 7.071 1.00 1.16 N ATOM 2822 CA PHE A 198 29.376 -5.615 6.172 1.00 1.33 C ATOM 2823 C PHE A 198 30.071 -6.877 6.657 1.00 1.58 C ATOM 2824 O PHE A 198 31.210 -6.838 7.122 1.00 2.05 O ATOM 2825 CB PHE A 198 30.387 -4.479 6.006 1.00 1.51 C ATOM 2826 CG PHE A 198 29.818 -3.260 5.338 1.00 1.40 C ATOM 2827 CD1 PHE A 198 29.795 -3.162 3.956 1.00 1.61 C ATOM 2828 CD2 PHE A 198 29.308 -2.214 6.088 1.00 1.53 C ATOM 2829 CE1 PHE A 198 29.275 -2.045 3.335 1.00 1.95 C ATOM 2830 CE2 PHE A 198 28.786 -1.093 5.473 1.00 1.78 C ATOM 2831 CZ PHE A 198 28.769 -1.009 4.095 1.00 2.00 C ATOM 0 H PHE A 198 28.593 -5.066 8.034 1.00 1.16 H new ATOM 0 HA PHE A 198 28.932 -5.820 5.198 1.00 1.33 H new ATOM 0 HB2 PHE A 198 30.771 -4.199 6.987 1.00 1.51 H new ATOM 0 HB3 PHE A 198 31.234 -4.840 5.423 1.00 1.51 H new ATOM 0 HD1 PHE A 198 30.189 -3.970 3.357 1.00 1.61 H new ATOM 0 HD2 PHE A 198 29.318 -2.275 7.166 1.00 1.53 H new ATOM 0 HE1 PHE A 198 29.264 -1.981 2.257 1.00 1.95 H new ATOM 0 HE2 PHE A 198 28.392 -0.283 6.069 1.00 1.78 H new ATOM 0 HZ PHE A 198 28.360 -0.134 3.612 1.00 2.00 H new ATOM 2841 N TYR A 199 29.361 -7.992 6.573 1.00 1.48 N ATOM 2842 CA TYR A 199 29.934 -9.296 6.889 1.00 1.79 C ATOM 2843 C TYR A 199 30.956 -9.692 5.828 1.00 2.06 C ATOM 2844 O TYR A 199 31.866 -10.479 6.091 1.00 2.27 O ATOM 2845 CB TYR A 199 28.830 -10.357 6.984 1.00 2.08 C ATOM 2846 CG TYR A 199 27.943 -10.442 5.757 1.00 2.04 C ATOM 2847 CD1 TYR A 199 26.845 -9.600 5.599 1.00 2.05 C ATOM 2848 CD2 TYR A 199 28.204 -11.371 4.757 1.00 2.35 C ATOM 2849 CE1 TYR A 199 26.039 -9.687 4.483 1.00 2.47 C ATOM 2850 CE2 TYR A 199 27.399 -11.462 3.642 1.00 2.78 C ATOM 2851 CZ TYR A 199 26.318 -10.579 3.508 1.00 2.89 C ATOM 2852 OH TYR A 199 25.510 -10.716 2.406 1.00 3.53 O ATOM 0 H TYR A 199 28.382 -8.022 6.287 1.00 1.48 H new ATOM 0 HA TYR A 199 30.436 -9.231 7.854 1.00 1.79 H new ATOM 0 HB2 TYR A 199 29.290 -11.330 7.154 1.00 2.08 H new ATOM 0 HB3 TYR A 199 28.209 -10.142 7.854 1.00 2.08 H new ATOM 0 HD1 TYR A 199 26.621 -8.868 6.361 1.00 2.05 H new ATOM 0 HD2 TYR A 199 29.052 -12.033 4.855 1.00 2.35 H new ATOM 0 HE1 TYR A 199 25.181 -9.039 4.388 1.00 2.47 H new ATOM 0 HE2 TYR A 199 27.598 -12.203 2.882 1.00 2.78 H new ATOM 0 HH TYR A 199 25.876 -11.408 1.816 1.00 3.53 H new ATOM 2862 N SER A 200 30.788 -9.121 4.636 1.00 2.43 N ATOM 2863 CA SER A 200 31.659 -9.390 3.500 1.00 3.08 C ATOM 2864 C SER A 200 31.799 -10.890 3.250 1.00 3.06 C ATOM 2865 O SER A 200 32.839 -11.487 3.537 1.00 3.33 O ATOM 2866 CB SER A 200 33.022 -8.733 3.711 1.00 3.56 C ATOM 2867 OG SER A 200 32.869 -7.336 3.918 1.00 4.12 O ATOM 0 H SER A 200 30.041 -8.457 4.434 1.00 2.43 H new ATOM 0 HA SER A 200 31.204 -8.956 2.610 1.00 3.08 H new ATOM 0 HB2 SER A 200 33.521 -9.182 4.570 1.00 3.56 H new ATOM 0 HB3 SER A 200 33.658 -8.912 2.844 1.00 3.56 H new ATOM 0 HG SER A 200 33.749 -6.927 4.054 1.00 4.12 H new ATOM 2873 N ASP A 201 30.708 -11.488 2.769 1.00 2.98 N ATOM 2874 CA ASP A 201 30.654 -12.905 2.396 1.00 3.19 C ATOM 2875 C ASP A 201 30.669 -13.838 3.612 1.00 3.05 C ATOM 2876 O ASP A 201 30.135 -14.945 3.555 1.00 3.25 O ATOM 2877 CB ASP A 201 31.795 -13.240 1.432 1.00 3.87 C ATOM 2878 CG ASP A 201 31.846 -14.703 1.049 1.00 4.29 C ATOM 2879 OD1 ASP A 201 30.994 -15.144 0.247 1.00 4.31 O ATOM 2880 OD2 ASP A 201 32.763 -15.409 1.520 1.00 4.89 O ATOM 0 H ASP A 201 29.826 -10.997 2.625 1.00 2.98 H new ATOM 0 HA ASP A 201 29.701 -13.072 1.893 1.00 3.19 H new ATOM 0 HB2 ASP A 201 31.687 -12.639 0.529 1.00 3.87 H new ATOM 0 HB3 ASP A 201 32.743 -12.958 1.890 1.00 3.87 H new ATOM 2885 N GLN A 202 31.256 -13.388 4.710 1.00 3.02 N ATOM 2886 CA GLN A 202 31.290 -14.180 5.930 1.00 3.45 C ATOM 2887 C GLN A 202 30.063 -13.875 6.785 1.00 3.85 C ATOM 2888 O GLN A 202 30.173 -13.066 7.729 1.00 4.18 O ATOM 2889 CB GLN A 202 32.574 -13.893 6.713 1.00 3.65 C ATOM 2890 CG GLN A 202 32.728 -14.724 7.978 1.00 4.42 C ATOM 2891 CD GLN A 202 33.944 -14.323 8.789 1.00 5.07 C ATOM 2892 OE1 GLN A 202 35.036 -14.860 8.603 1.00 5.73 O ATOM 2893 NE2 GLN A 202 33.768 -13.369 9.689 1.00 5.30 N ATOM 2894 OXT GLN A 202 28.983 -14.432 6.494 1.00 4.27 O ATOM 0 H GLN A 202 31.715 -12.480 4.782 1.00 3.02 H new ATOM 0 HA GLN A 202 31.277 -15.237 5.665 1.00 3.45 H new ATOM 0 HB2 GLN A 202 33.431 -14.075 6.065 1.00 3.65 H new ATOM 0 HB3 GLN A 202 32.596 -12.836 6.980 1.00 3.65 H new ATOM 0 HG2 GLN A 202 31.834 -14.616 8.592 1.00 4.42 H new ATOM 0 HG3 GLN A 202 32.805 -15.778 7.710 1.00 4.42 H new ATOM 0 HE21 GLN A 202 32.847 -12.949 9.813 1.00 5.30 H new ATOM 0 HE22 GLN A 202 34.553 -13.054 10.259 1.00 5.30 H new TER 2903 GLN A 202