USER MOD reduce.3.24.130724 H: found=0, std=0, add=965, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 967 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 130 SER OG : rot 179:sc=0.000429 USER MOD Set 1.2: A 131 LYS NZ :NH3+ -157:sc=0.000222 (180deg=0) USER MOD Set 2.1: A 58 SER OG : rot -57:sc= 0.696 USER MOD Set 2.2: A 67 HIS : no HE2:sc= -3.68! C(o=-3!,f=-13!) USER MOD Set 3.1: A 11 SER OG : rot -19:sc= 0.982 USER MOD Set 3.2: A 76 CYS SG : rot 7:sc= 1.76 USER MOD Single : A 4 TYR OH : rot -7:sc= -1.16 USER MOD Single : A 5 TYR OH : rot -18:sc= -0.957 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 SER OG : rot -160:sc= -2.67! USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 27 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot 139:sc= 0.339 USER MOD Single : A 38 GLN :FLIP amide:sc= -0.213 F(o=-0.71,f=-0.21) USER MOD Single : A 40 MET CE :methyl -139:sc= -11.9! (180deg=-22!) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0.0386 USER MOD Single : A 46 THR OG1 : rot 82:sc= 0.298 USER MOD Single : A 49 SER OG : rot 180:sc= -0.0621 USER MOD Single : A 51 THR OG1 : rot 73:sc= -6.86! USER MOD Single : A 57 GLN : amide:sc= -0.504 X(o=-0.5,f=-0.12) USER MOD Single : A 63 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 64 TYR OH : rot 113:sc= -0.2 USER MOD Single : A 69 TYR OH : rot 124:sc= -4.76! USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 81 THR OG1 : rot 162:sc= -1.47! USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 85 TYR OH : rot 107:sc= -0.747! USER MOD Single : A 91 TYR OH : rot 180:sc= 0 USER MOD Single : A 92 THR OG1 : rot 180:sc= 0 USER MOD Single : A 95 ASN : amide:sc= -0.255 K(o=-0.26,f=-2.7!) USER MOD Single : A 96 LYS NZ :NH3+ -158:sc= 0 (180deg=-0.738) USER MOD Single : A 101 TYR OH : rot 150:sc= -1.33! USER MOD Single : A 105 HIS :FLIP no HD1:sc= -3.13 F(o=-4.7!,f=-3.1) USER MOD Single : A 107 LYS NZ :NH3+ -149:sc=-0.000701 (180deg=-0.656) USER MOD Single : A 123 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 124 GLN : amide:sc= -0.151 K(o=-0.15,f=-1.2) USER MOD Single : A 127 THR OG1 : rot 75:sc= 0.274 USER MOD Single : A 128 TYR OH : rot 150:sc= -0.983 USER MOD Single : A 132 TYR OH : rot 180:sc= -0.0424 USER MOD Single : A 133 GLN : amide:sc= -1.25 K(o=-1.3,f=-5.3!) USER MOD ----------------------------------------------------------------- ATOM 20 N ARG A 2 -10.738 9.608 2.479 1.00 0.00 N ATOM 21 CA ARG A 2 -9.733 9.009 3.352 1.00 0.00 C ATOM 22 C ARG A 2 -9.164 7.730 2.743 1.00 0.00 C ATOM 23 O ARG A 2 -9.788 7.105 1.886 1.00 0.00 O ATOM 24 CB ARG A 2 -10.334 8.706 4.727 1.00 0.00 C ATOM 25 CG ARG A 2 -10.038 9.772 5.769 1.00 0.00 C ATOM 26 CD ARG A 2 -10.659 9.428 7.112 1.00 0.00 C ATOM 27 NE ARG A 2 -11.160 10.614 7.804 1.00 0.00 N ATOM 28 CZ ARG A 2 -11.584 10.610 9.066 1.00 0.00 C ATOM 29 NH1 ARG A 2 -11.572 9.488 9.775 1.00 0.00 N ATOM 30 NH2 ARG A 2 -12.023 11.732 9.620 1.00 0.00 N ATOM 0 HA ARG A 2 -8.920 9.727 3.465 1.00 0.00 H new ATOM 0 HB2 ARG A 2 -11.414 8.598 4.626 1.00 0.00 H new ATOM 0 HB3 ARG A 2 -9.950 7.749 5.079 1.00 0.00 H new ATOM 0 HG2 ARG A 2 -8.959 9.881 5.883 1.00 0.00 H new ATOM 0 HG3 ARG A 2 -10.421 10.733 5.426 1.00 0.00 H new ATOM 0 HD2 ARG A 2 -11.477 8.723 6.963 1.00 0.00 H new ATOM 0 HD3 ARG A 2 -9.918 8.930 7.737 1.00 0.00 H new ATOM 0 HE ARG A 2 -11.186 11.495 7.291 1.00 0.00 H new ATOM 0 HH11 ARG A 2 -11.237 8.622 9.353 1.00 0.00 H new ATOM 0 HH12 ARG A 2 -11.898 9.492 10.741 1.00 0.00 H new ATOM 0 HH21 ARG A 2 -12.036 12.597 9.079 1.00 0.00 H new ATOM 0 HH22 ARG A 2 -12.348 11.730 10.587 1.00 0.00 H new ATOM 44 N ILE A 3 -7.976 7.347 3.202 1.00 0.00 N ATOM 45 CA ILE A 3 -7.315 6.140 2.718 1.00 0.00 C ATOM 46 C ILE A 3 -8.127 4.902 3.094 1.00 0.00 C ATOM 47 O ILE A 3 -8.835 4.904 4.101 1.00 0.00 O ATOM 48 CB ILE A 3 -5.892 6.028 3.304 1.00 0.00 C ATOM 49 CG1 ILE A 3 -5.162 4.815 2.741 1.00 0.00 C ATOM 50 CG2 ILE A 3 -5.946 5.957 4.823 1.00 0.00 C ATOM 51 CD1 ILE A 3 -3.665 5.019 2.668 1.00 0.00 C ATOM 0 H ILE A 3 -7.450 7.858 3.911 1.00 0.00 H new ATOM 0 HA ILE A 3 -7.244 6.203 1.632 1.00 0.00 H new ATOM 0 HB ILE A 3 -5.337 6.921 3.015 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -5.377 3.946 3.363 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -5.544 4.596 1.744 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -4.934 5.878 5.220 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -6.419 6.858 5.213 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -6.523 5.084 5.126 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -3.195 4.124 2.260 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -3.445 5.870 2.024 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -3.275 5.210 3.668 1.00 0.00 H new ATOM 63 N TYR A 4 -8.038 3.850 2.282 1.00 0.00 N ATOM 64 CA TYR A 4 -8.792 2.628 2.555 1.00 0.00 C ATOM 65 C TYR A 4 -7.906 1.380 2.545 1.00 0.00 C ATOM 66 O TYR A 4 -8.285 0.350 3.102 1.00 0.00 O ATOM 67 CB TYR A 4 -9.949 2.470 1.563 1.00 0.00 C ATOM 68 CG TYR A 4 -9.526 2.421 0.112 1.00 0.00 C ATOM 69 CD1 TYR A 4 -8.889 3.499 -0.483 1.00 0.00 C ATOM 70 CD2 TYR A 4 -9.772 1.296 -0.661 1.00 0.00 C ATOM 71 CE1 TYR A 4 -8.504 3.456 -1.811 1.00 0.00 C ATOM 72 CE2 TYR A 4 -9.393 1.244 -1.988 1.00 0.00 C ATOM 73 CZ TYR A 4 -8.759 2.326 -2.558 1.00 0.00 C ATOM 74 OH TYR A 4 -8.380 2.279 -3.879 1.00 0.00 O ATOM 0 H TYR A 4 -7.460 3.818 1.442 1.00 0.00 H new ATOM 0 HA TYR A 4 -9.199 2.727 3.562 1.00 0.00 H new ATOM 0 HB2 TYR A 4 -10.493 1.556 1.801 1.00 0.00 H new ATOM 0 HB3 TYR A 4 -10.643 3.299 1.699 1.00 0.00 H new ATOM 0 HD1 TYR A 4 -8.690 4.386 0.099 1.00 0.00 H new ATOM 0 HD2 TYR A 4 -10.269 0.446 -0.217 1.00 0.00 H new ATOM 0 HE1 TYR A 4 -8.006 4.303 -2.260 1.00 0.00 H new ATOM 0 HE2 TYR A 4 -9.593 0.360 -2.576 1.00 0.00 H new ATOM 0 HH TYR A 4 -8.050 3.159 -4.156 1.00 0.00 H new ATOM 84 N TYR A 5 -6.726 1.463 1.931 1.00 0.00 N ATOM 85 CA TYR A 5 -5.821 0.315 1.901 1.00 0.00 C ATOM 86 C TYR A 5 -4.376 0.733 1.678 1.00 0.00 C ATOM 87 O TYR A 5 -4.086 1.747 1.046 1.00 0.00 O ATOM 88 CB TYR A 5 -6.232 -0.698 0.826 1.00 0.00 C ATOM 89 CG TYR A 5 -5.333 -1.926 0.762 1.00 0.00 C ATOM 90 CD1 TYR A 5 -4.039 -1.851 0.249 1.00 0.00 C ATOM 91 CD2 TYR A 5 -5.779 -3.163 1.214 1.00 0.00 C ATOM 92 CE1 TYR A 5 -3.225 -2.965 0.186 1.00 0.00 C ATOM 93 CE2 TYR A 5 -4.968 -4.283 1.154 1.00 0.00 C ATOM 94 CZ TYR A 5 -3.694 -4.178 0.639 1.00 0.00 C ATOM 95 OH TYR A 5 -2.887 -5.290 0.577 1.00 0.00 O ATOM 0 H TYR A 5 -6.379 2.296 1.456 1.00 0.00 H new ATOM 0 HA TYR A 5 -5.896 -0.158 2.880 1.00 0.00 H new ATOM 0 HB2 TYR A 5 -7.256 -1.019 1.015 1.00 0.00 H new ATOM 0 HB3 TYR A 5 -6.227 -0.204 -0.146 1.00 0.00 H new ATOM 0 HD1 TYR A 5 -3.665 -0.902 -0.107 1.00 0.00 H new ATOM 0 HD2 TYR A 5 -6.776 -3.251 1.619 1.00 0.00 H new ATOM 0 HE1 TYR A 5 -2.226 -2.885 -0.216 1.00 0.00 H new ATOM 0 HE2 TYR A 5 -5.332 -5.236 1.509 1.00 0.00 H new ATOM 0 HH TYR A 5 -2.156 -5.129 -0.055 1.00 0.00 H new ATOM 105 N ILE A 6 -3.477 -0.086 2.199 1.00 0.00 N ATOM 106 CA ILE A 6 -2.050 0.135 2.071 1.00 0.00 C ATOM 107 C ILE A 6 -1.333 -1.204 2.147 1.00 0.00 C ATOM 108 O ILE A 6 -1.923 -2.204 2.560 1.00 0.00 O ATOM 109 CB ILE A 6 -1.539 1.097 3.176 1.00 0.00 C ATOM 110 CG1 ILE A 6 -1.665 2.548 2.692 1.00 0.00 C ATOM 111 CG2 ILE A 6 -0.107 0.789 3.596 1.00 0.00 C ATOM 112 CD1 ILE A 6 -0.678 3.509 3.327 1.00 0.00 C ATOM 0 H ILE A 6 -3.720 -0.926 2.724 1.00 0.00 H new ATOM 0 HA ILE A 6 -1.842 0.602 1.108 1.00 0.00 H new ATOM 0 HB ILE A 6 -2.160 0.952 4.060 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -1.530 2.570 1.611 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -2.677 2.899 2.895 1.00 0.00 H new ATOM 0 HG21 ILE A 6 0.204 1.490 4.371 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -0.052 -0.228 3.984 1.00 0.00 H new ATOM 0 HG23 ILE A 6 0.554 0.885 2.734 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -0.838 4.511 2.928 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -0.825 3.521 4.407 1.00 0.00 H new ATOM 0 HD13 ILE A 6 0.339 3.187 3.103 1.00 0.00 H new ATOM 124 N GLY A 7 -0.075 -1.229 1.750 1.00 0.00 N ATOM 125 CA GLY A 7 0.669 -2.467 1.797 1.00 0.00 C ATOM 126 C GLY A 7 1.780 -2.526 0.777 1.00 0.00 C ATOM 127 O GLY A 7 2.113 -1.523 0.146 1.00 0.00 O ATOM 0 H GLY A 7 0.442 -0.423 1.399 1.00 0.00 H new ATOM 0 HA2 GLY A 7 1.091 -2.593 2.794 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -0.013 -3.301 1.632 1.00 0.00 H new ATOM 131 N VAL A 8 2.354 -3.709 0.619 1.00 0.00 N ATOM 132 CA VAL A 8 3.436 -3.908 -0.329 1.00 0.00 C ATOM 133 C VAL A 8 3.164 -5.117 -1.213 1.00 0.00 C ATOM 134 O VAL A 8 2.401 -6.008 -0.841 1.00 0.00 O ATOM 135 CB VAL A 8 4.785 -4.118 0.372 1.00 0.00 C ATOM 136 CG1 VAL A 8 5.898 -3.512 -0.456 1.00 0.00 C ATOM 137 CG2 VAL A 8 4.781 -3.534 1.779 1.00 0.00 C ATOM 0 H VAL A 8 2.087 -4.546 1.137 1.00 0.00 H new ATOM 0 HA VAL A 8 3.487 -3.002 -0.933 1.00 0.00 H new ATOM 0 HB VAL A 8 4.956 -5.191 0.465 1.00 0.00 H new ATOM 0 HG11 VAL A 8 6.852 -3.665 0.049 1.00 0.00 H new ATOM 0 HG12 VAL A 8 5.925 -3.990 -1.435 1.00 0.00 H new ATOM 0 HG13 VAL A 8 5.720 -2.444 -0.578 1.00 0.00 H new ATOM 0 HG21 VAL A 8 5.752 -3.701 2.245 1.00 0.00 H new ATOM 0 HG22 VAL A 8 4.582 -2.463 1.728 1.00 0.00 H new ATOM 0 HG23 VAL A 8 4.006 -4.019 2.372 1.00 0.00 H new ATOM 147 N PHE A 9 3.783 -5.145 -2.390 1.00 0.00 N ATOM 148 CA PHE A 9 3.591 -6.252 -3.322 1.00 0.00 C ATOM 149 C PHE A 9 4.784 -6.415 -4.255 1.00 0.00 C ATOM 150 O PHE A 9 5.064 -5.539 -5.068 1.00 0.00 O ATOM 151 CB PHE A 9 2.351 -6.017 -4.175 1.00 0.00 C ATOM 152 CG PHE A 9 1.128 -5.609 -3.415 1.00 0.00 C ATOM 153 CD1 PHE A 9 1.057 -4.379 -2.783 1.00 0.00 C ATOM 154 CD2 PHE A 9 0.034 -6.449 -3.359 1.00 0.00 C ATOM 155 CE1 PHE A 9 -0.085 -4.000 -2.107 1.00 0.00 C ATOM 156 CE2 PHE A 9 -1.109 -6.076 -2.683 1.00 0.00 C ATOM 157 CZ PHE A 9 -1.167 -4.850 -2.059 1.00 0.00 C ATOM 0 H PHE A 9 4.418 -4.418 -2.720 1.00 0.00 H new ATOM 0 HA PHE A 9 3.478 -7.156 -2.723 1.00 0.00 H new ATOM 0 HB2 PHE A 9 2.576 -5.246 -4.912 1.00 0.00 H new ATOM 0 HB3 PHE A 9 2.130 -6.931 -4.727 1.00 0.00 H new ATOM 0 HD1 PHE A 9 1.904 -3.710 -2.819 1.00 0.00 H new ATOM 0 HD2 PHE A 9 0.074 -7.410 -3.850 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -0.130 -3.039 -1.617 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -1.957 -6.744 -2.643 1.00 0.00 H new ATOM 0 HZ PHE A 9 -2.062 -4.555 -1.531 1.00 0.00 H new ATOM 167 N ARG A 10 5.462 -7.552 -4.169 1.00 0.00 N ATOM 168 CA ARG A 10 6.593 -7.806 -5.048 1.00 0.00 C ATOM 169 C ARG A 10 6.090 -8.084 -6.460 1.00 0.00 C ATOM 170 O ARG A 10 5.135 -8.837 -6.651 1.00 0.00 O ATOM 171 CB ARG A 10 7.432 -8.982 -4.532 1.00 0.00 C ATOM 172 CG ARG A 10 6.829 -10.348 -4.821 1.00 0.00 C ATOM 173 CD ARG A 10 7.701 -11.163 -5.763 1.00 0.00 C ATOM 174 NE ARG A 10 7.036 -12.387 -6.205 1.00 0.00 N ATOM 175 CZ ARG A 10 7.431 -13.111 -7.249 1.00 0.00 C ATOM 176 NH1 ARG A 10 8.488 -12.740 -7.962 1.00 0.00 N ATOM 177 NH2 ARG A 10 6.768 -14.210 -7.581 1.00 0.00 N ATOM 0 H ARG A 10 5.252 -8.302 -3.510 1.00 0.00 H new ATOM 0 HA ARG A 10 7.232 -6.923 -5.064 1.00 0.00 H new ATOM 0 HB2 ARG A 10 8.424 -8.932 -4.982 1.00 0.00 H new ATOM 0 HB3 ARG A 10 7.564 -8.875 -3.455 1.00 0.00 H new ATOM 0 HG2 ARG A 10 6.697 -10.892 -3.886 1.00 0.00 H new ATOM 0 HG3 ARG A 10 5.839 -10.223 -5.259 1.00 0.00 H new ATOM 0 HD2 ARG A 10 7.960 -10.558 -6.632 1.00 0.00 H new ATOM 0 HD3 ARG A 10 8.635 -11.419 -5.262 1.00 0.00 H new ATOM 0 HE ARG A 10 6.220 -12.705 -5.682 1.00 0.00 H new ATOM 0 HH11 ARG A 10 9.002 -11.896 -7.710 1.00 0.00 H new ATOM 0 HH12 ARG A 10 8.786 -13.299 -8.761 1.00 0.00 H new ATOM 0 HH21 ARG A 10 5.956 -14.500 -7.036 1.00 0.00 H new ATOM 0 HH22 ARG A 10 7.070 -14.766 -8.381 1.00 0.00 H new ATOM 191 N SER A 11 6.719 -7.466 -7.448 1.00 0.00 N ATOM 192 CA SER A 11 6.308 -7.656 -8.831 1.00 0.00 C ATOM 193 C SER A 11 6.432 -9.117 -9.241 1.00 0.00 C ATOM 194 O SER A 11 7.492 -9.565 -9.677 1.00 0.00 O ATOM 195 CB SER A 11 7.146 -6.793 -9.762 1.00 0.00 C ATOM 196 OG SER A 11 7.256 -5.467 -9.275 1.00 0.00 O ATOM 0 H SER A 11 7.509 -6.834 -7.320 1.00 0.00 H new ATOM 0 HA SER A 11 5.263 -7.357 -8.910 1.00 0.00 H new ATOM 0 HB2 SER A 11 8.140 -7.228 -9.868 1.00 0.00 H new ATOM 0 HB3 SER A 11 6.696 -6.782 -10.755 1.00 0.00 H new ATOM 0 HG SER A 11 6.545 -5.298 -8.622 1.00 0.00 H new ATOM 202 N GLY A 12 5.341 -9.851 -9.097 1.00 0.00 N ATOM 203 CA GLY A 12 5.337 -11.257 -9.455 1.00 0.00 C ATOM 204 C GLY A 12 5.410 -11.471 -10.955 1.00 0.00 C ATOM 205 O GLY A 12 6.020 -10.679 -11.673 1.00 0.00 O ATOM 0 H GLY A 12 4.454 -9.499 -8.737 1.00 0.00 H new ATOM 0 HA2 GLY A 12 6.182 -11.753 -8.978 1.00 0.00 H new ATOM 0 HA3 GLY A 12 4.432 -11.725 -9.067 1.00 0.00 H new ATOM 209 N GLY A 13 4.785 -12.544 -11.428 1.00 0.00 N ATOM 210 CA GLY A 13 4.793 -12.840 -12.849 1.00 0.00 C ATOM 211 C GLY A 13 3.588 -12.263 -13.566 1.00 0.00 C ATOM 212 O GLY A 13 3.674 -11.198 -14.177 1.00 0.00 O ATOM 0 H GLY A 13 4.273 -13.214 -10.853 1.00 0.00 H new ATOM 0 HA2 GLY A 13 5.704 -12.441 -13.295 1.00 0.00 H new ATOM 0 HA3 GLY A 13 4.815 -13.920 -12.992 1.00 0.00 H new ATOM 216 N GLU A 14 2.464 -12.966 -13.489 1.00 0.00 N ATOM 217 CA GLU A 14 1.235 -12.517 -14.133 1.00 0.00 C ATOM 218 C GLU A 14 0.594 -11.377 -13.349 1.00 0.00 C ATOM 219 O GLU A 14 -0.122 -10.547 -13.911 1.00 0.00 O ATOM 220 CB GLU A 14 0.249 -13.680 -14.263 1.00 0.00 C ATOM 221 CG GLU A 14 -1.018 -13.321 -15.022 1.00 0.00 C ATOM 222 CD GLU A 14 -1.092 -13.985 -16.383 1.00 0.00 C ATOM 223 OE1 GLU A 14 -0.065 -13.999 -17.094 1.00 0.00 O ATOM 224 OE2 GLU A 14 -2.177 -14.492 -16.738 1.00 0.00 O ATOM 0 H GLU A 14 2.378 -13.850 -12.987 1.00 0.00 H new ATOM 0 HA GLU A 14 1.489 -12.151 -15.128 1.00 0.00 H new ATOM 0 HB2 GLU A 14 0.743 -14.509 -14.769 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -0.021 -14.030 -13.267 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -1.886 -13.614 -14.431 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -1.068 -12.239 -15.147 1.00 0.00 H new ATOM 231 N LYS A 15 0.857 -11.340 -12.046 1.00 0.00 N ATOM 232 CA LYS A 15 0.309 -10.303 -11.183 1.00 0.00 C ATOM 233 C LYS A 15 1.295 -9.948 -10.073 1.00 0.00 C ATOM 234 O LYS A 15 2.466 -10.324 -10.127 1.00 0.00 O ATOM 235 CB LYS A 15 -1.024 -10.761 -10.584 1.00 0.00 C ATOM 236 CG LYS A 15 -0.889 -11.922 -9.611 1.00 0.00 C ATOM 237 CD LYS A 15 -0.718 -13.244 -10.344 1.00 0.00 C ATOM 238 CE LYS A 15 -1.351 -14.392 -9.575 1.00 0.00 C ATOM 239 NZ LYS A 15 -1.332 -15.661 -10.355 1.00 0.00 N ATOM 0 H LYS A 15 1.448 -12.019 -11.565 1.00 0.00 H new ATOM 0 HA LYS A 15 0.135 -9.411 -11.785 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -1.490 -9.920 -10.070 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -1.695 -11.052 -11.392 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -0.033 -11.753 -8.958 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -1.772 -11.969 -8.974 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -1.170 -13.174 -11.333 1.00 0.00 H new ATOM 0 HD3 LYS A 15 0.343 -13.445 -10.492 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -0.819 -14.536 -8.635 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -2.380 -14.136 -9.323 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -1.773 -16.419 -9.796 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -1.861 -15.532 -11.241 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -0.349 -15.919 -10.574 1.00 0.00 H new ATOM 253 N ALA A 16 0.816 -9.220 -9.071 1.00 0.00 N ATOM 254 CA ALA A 16 1.657 -8.811 -7.954 1.00 0.00 C ATOM 255 C ALA A 16 1.471 -9.732 -6.755 1.00 0.00 C ATOM 256 O ALA A 16 0.403 -10.313 -6.564 1.00 0.00 O ATOM 257 CB ALA A 16 1.344 -7.376 -7.566 1.00 0.00 C ATOM 0 H ALA A 16 -0.151 -8.901 -9.010 1.00 0.00 H new ATOM 0 HA ALA A 16 2.698 -8.879 -8.271 1.00 0.00 H new ATOM 0 HB1 ALA A 16 1.977 -7.079 -6.730 1.00 0.00 H new ATOM 0 HB2 ALA A 16 1.533 -6.720 -8.416 1.00 0.00 H new ATOM 0 HB3 ALA A 16 0.297 -7.298 -7.273 1.00 0.00 H new ATOM 263 N LEU A 17 2.518 -9.856 -5.945 1.00 0.00 N ATOM 264 CA LEU A 17 2.466 -10.700 -4.761 1.00 0.00 C ATOM 265 C LEU A 17 1.889 -9.928 -3.579 1.00 0.00 C ATOM 266 O LEU A 17 2.126 -8.730 -3.437 1.00 0.00 O ATOM 267 CB LEU A 17 3.863 -11.215 -4.408 1.00 0.00 C ATOM 268 CG LEU A 17 3.913 -12.322 -3.348 1.00 0.00 C ATOM 269 CD1 LEU A 17 3.618 -11.757 -1.965 1.00 0.00 C ATOM 270 CD2 LEU A 17 2.940 -13.441 -3.691 1.00 0.00 C ATOM 0 H LEU A 17 3.410 -9.383 -6.088 1.00 0.00 H new ATOM 0 HA LEU A 17 1.819 -11.550 -4.979 1.00 0.00 H new ATOM 0 HB2 LEU A 17 4.334 -11.586 -5.318 1.00 0.00 H new ATOM 0 HB3 LEU A 17 4.463 -10.375 -4.058 1.00 0.00 H new ATOM 0 HG LEU A 17 4.920 -12.738 -3.338 1.00 0.00 H new ATOM 0 HD11 LEU A 17 3.659 -12.559 -1.228 1.00 0.00 H new ATOM 0 HD12 LEU A 17 4.360 -10.998 -1.716 1.00 0.00 H new ATOM 0 HD13 LEU A 17 2.624 -11.309 -1.959 1.00 0.00 H new ATOM 0 HD21 LEU A 17 2.992 -14.216 -2.926 1.00 0.00 H new ATOM 0 HD22 LEU A 17 1.927 -13.041 -3.735 1.00 0.00 H new ATOM 0 HD23 LEU A 17 3.203 -13.868 -4.658 1.00 0.00 H new ATOM 282 N GLU A 18 1.133 -10.616 -2.734 1.00 0.00 N ATOM 283 CA GLU A 18 0.531 -9.986 -1.568 1.00 0.00 C ATOM 284 C GLU A 18 1.560 -9.813 -0.451 1.00 0.00 C ATOM 285 O GLU A 18 1.422 -10.391 0.627 1.00 0.00 O ATOM 286 CB GLU A 18 -0.652 -10.818 -1.067 1.00 0.00 C ATOM 287 CG GLU A 18 -1.567 -11.305 -2.180 1.00 0.00 C ATOM 288 CD GLU A 18 -2.921 -11.753 -1.665 1.00 0.00 C ATOM 289 OE1 GLU A 18 -3.687 -10.892 -1.181 1.00 0.00 O ATOM 290 OE2 GLU A 18 -3.216 -12.964 -1.744 1.00 0.00 O ATOM 0 H GLU A 18 0.923 -11.609 -2.834 1.00 0.00 H new ATOM 0 HA GLU A 18 0.172 -9.000 -1.862 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -0.273 -11.679 -0.516 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -1.234 -10.221 -0.364 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -1.705 -10.506 -2.908 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -1.089 -12.133 -2.703 1.00 0.00 H new ATOM 297 N LEU A 19 2.591 -9.011 -0.715 1.00 0.00 N ATOM 298 CA LEU A 19 3.640 -8.760 0.271 1.00 0.00 C ATOM 299 C LEU A 19 3.038 -8.415 1.630 1.00 0.00 C ATOM 300 O LEU A 19 2.934 -9.270 2.508 1.00 0.00 O ATOM 301 CB LEU A 19 4.563 -7.639 -0.203 1.00 0.00 C ATOM 302 CG LEU A 19 6.036 -8.021 -0.308 1.00 0.00 C ATOM 303 CD1 LEU A 19 6.204 -9.295 -1.125 1.00 0.00 C ATOM 304 CD2 LEU A 19 6.837 -6.881 -0.918 1.00 0.00 C ATOM 0 H LEU A 19 2.722 -8.525 -1.602 1.00 0.00 H new ATOM 0 HA LEU A 19 4.228 -9.672 0.380 1.00 0.00 H new ATOM 0 HB2 LEU A 19 4.221 -7.295 -1.179 1.00 0.00 H new ATOM 0 HB3 LEU A 19 4.469 -6.797 0.482 1.00 0.00 H new ATOM 0 HG LEU A 19 6.416 -8.210 0.696 1.00 0.00 H new ATOM 0 HD11 LEU A 19 7.262 -9.550 -1.188 1.00 0.00 H new ATOM 0 HD12 LEU A 19 5.662 -10.110 -0.644 1.00 0.00 H new ATOM 0 HD13 LEU A 19 5.808 -9.139 -2.129 1.00 0.00 H new ATOM 0 HD21 LEU A 19 7.886 -7.169 -0.986 1.00 0.00 H new ATOM 0 HD22 LEU A 19 6.456 -6.661 -1.915 1.00 0.00 H new ATOM 0 HD23 LEU A 19 6.744 -5.995 -0.290 1.00 0.00 H new ATOM 316 N SER A 20 2.625 -7.165 1.788 1.00 0.00 N ATOM 317 CA SER A 20 2.015 -6.714 3.028 1.00 0.00 C ATOM 318 C SER A 20 0.630 -6.148 2.738 1.00 0.00 C ATOM 319 O SER A 20 0.473 -5.338 1.828 1.00 0.00 O ATOM 320 CB SER A 20 2.891 -5.659 3.704 1.00 0.00 C ATOM 321 OG SER A 20 4.238 -5.767 3.280 1.00 0.00 O ATOM 0 H SER A 20 2.702 -6.445 1.070 1.00 0.00 H new ATOM 0 HA SER A 20 1.920 -7.562 3.706 1.00 0.00 H new ATOM 0 HB2 SER A 20 2.512 -4.664 3.471 1.00 0.00 H new ATOM 0 HB3 SER A 20 2.837 -5.776 4.786 1.00 0.00 H new ATOM 0 HG SER A 20 4.822 -5.323 3.930 1.00 0.00 H new ATOM 327 N GLU A 21 -0.380 -6.590 3.484 1.00 0.00 N ATOM 328 CA GLU A 21 -1.738 -6.116 3.246 1.00 0.00 C ATOM 329 C GLU A 21 -2.377 -5.498 4.488 1.00 0.00 C ATOM 330 O GLU A 21 -2.692 -6.191 5.456 1.00 0.00 O ATOM 331 CB GLU A 21 -2.614 -7.264 2.743 1.00 0.00 C ATOM 332 CG GLU A 21 -1.946 -8.125 1.683 1.00 0.00 C ATOM 333 CD GLU A 21 -2.616 -9.476 1.528 1.00 0.00 C ATOM 334 OE1 GLU A 21 -3.821 -9.508 1.201 1.00 0.00 O ATOM 335 OE2 GLU A 21 -1.935 -10.504 1.731 1.00 0.00 O ATOM 0 H GLU A 21 -0.286 -7.263 4.244 1.00 0.00 H new ATOM 0 HA GLU A 21 -1.668 -5.333 2.491 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -2.892 -7.894 3.588 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -3.537 -6.853 2.335 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -1.966 -7.601 0.728 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -0.898 -8.270 1.945 1.00 0.00 H new ATOM 342 N VAL A 22 -2.601 -4.190 4.422 1.00 0.00 N ATOM 343 CA VAL A 22 -3.242 -3.449 5.494 1.00 0.00 C ATOM 344 C VAL A 22 -4.451 -2.710 4.931 1.00 0.00 C ATOM 345 O VAL A 22 -4.400 -2.201 3.811 1.00 0.00 O ATOM 346 CB VAL A 22 -2.269 -2.452 6.146 1.00 0.00 C ATOM 347 CG1 VAL A 22 -1.827 -1.385 5.158 1.00 0.00 C ATOM 348 CG2 VAL A 22 -2.893 -1.819 7.380 1.00 0.00 C ATOM 0 H VAL A 22 -2.341 -3.616 3.620 1.00 0.00 H new ATOM 0 HA VAL A 22 -3.559 -4.151 6.265 1.00 0.00 H new ATOM 0 HB VAL A 22 -1.383 -3.006 6.455 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -1.140 -0.696 5.650 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -1.325 -1.857 4.313 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -2.698 -0.836 4.802 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -2.188 -1.117 7.825 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -3.802 -1.289 7.097 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -3.137 -2.597 8.104 1.00 0.00 H new ATOM 358 N LYS A 23 -5.547 -2.677 5.678 1.00 0.00 N ATOM 359 CA LYS A 23 -6.754 -2.021 5.186 1.00 0.00 C ATOM 360 C LYS A 23 -7.354 -1.048 6.184 1.00 0.00 C ATOM 361 O LYS A 23 -7.185 -1.179 7.396 1.00 0.00 O ATOM 362 CB LYS A 23 -7.820 -3.059 4.837 1.00 0.00 C ATOM 363 CG LYS A 23 -7.272 -4.303 4.155 1.00 0.00 C ATOM 364 CD LYS A 23 -8.372 -5.086 3.458 1.00 0.00 C ATOM 365 CE LYS A 23 -7.905 -6.482 3.074 1.00 0.00 C ATOM 366 NZ LYS A 23 -9.015 -7.473 3.120 1.00 0.00 N ATOM 0 H LYS A 23 -5.627 -3.087 6.608 1.00 0.00 H new ATOM 0 HA LYS A 23 -6.448 -1.460 4.303 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -8.337 -3.355 5.750 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -8.563 -2.597 4.186 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -6.512 -4.016 3.428 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -6.783 -4.939 4.893 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -9.240 -5.159 4.114 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -8.692 -4.550 2.565 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -7.481 -6.459 2.070 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -7.109 -6.797 3.749 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -8.654 -8.411 2.852 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -9.404 -7.514 4.084 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -9.763 -7.187 2.457 1.00 0.00 H new ATOM 380 N ASP A 24 -8.112 -0.104 5.642 1.00 0.00 N ATOM 381 CA ASP A 24 -8.822 0.874 6.439 1.00 0.00 C ATOM 382 C ASP A 24 -10.293 0.795 6.059 1.00 0.00 C ATOM 383 O ASP A 24 -10.685 1.191 4.961 1.00 0.00 O ATOM 384 CB ASP A 24 -8.276 2.282 6.190 1.00 0.00 C ATOM 385 CG ASP A 24 -7.385 2.765 7.316 1.00 0.00 C ATOM 386 OD1 ASP A 24 -6.782 1.913 8.002 1.00 0.00 O ATOM 387 OD2 ASP A 24 -7.288 3.995 7.513 1.00 0.00 O ATOM 0 H ASP A 24 -8.249 0.001 4.637 1.00 0.00 H new ATOM 0 HA ASP A 24 -8.690 0.662 7.500 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -7.713 2.290 5.256 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -9.108 2.975 6.067 1.00 0.00 H new ATOM 392 N LEU A 25 -11.093 0.242 6.955 1.00 0.00 N ATOM 393 CA LEU A 25 -12.512 0.062 6.700 1.00 0.00 C ATOM 394 C LEU A 25 -13.367 0.662 7.811 1.00 0.00 C ATOM 395 O LEU A 25 -13.853 -0.049 8.690 1.00 0.00 O ATOM 396 CB LEU A 25 -12.805 -1.428 6.542 1.00 0.00 C ATOM 397 CG LEU A 25 -12.060 -2.093 5.384 1.00 0.00 C ATOM 398 CD1 LEU A 25 -11.692 -3.529 5.727 1.00 0.00 C ATOM 399 CD2 LEU A 25 -12.894 -2.042 4.115 1.00 0.00 C ATOM 0 H LEU A 25 -10.783 -0.091 7.868 1.00 0.00 H new ATOM 0 HA LEU A 25 -12.769 0.588 5.781 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -12.543 -1.939 7.469 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -13.877 -1.563 6.395 1.00 0.00 H new ATOM 0 HG LEU A 25 -11.136 -1.540 5.212 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -11.163 -3.980 4.887 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -11.050 -3.540 6.608 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -12.599 -4.098 5.932 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -12.348 -2.520 3.301 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -13.836 -2.566 4.277 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -13.097 -1.003 3.855 1.00 0.00 H new ATOM 411 N SER A 26 -13.545 1.975 7.758 1.00 0.00 N ATOM 412 CA SER A 26 -14.344 2.685 8.752 1.00 0.00 C ATOM 413 C SER A 26 -15.819 2.296 8.650 1.00 0.00 C ATOM 414 O SER A 26 -16.300 1.455 9.411 1.00 0.00 O ATOM 415 CB SER A 26 -14.183 4.199 8.579 1.00 0.00 C ATOM 416 OG SER A 26 -13.408 4.753 9.628 1.00 0.00 O ATOM 0 H SER A 26 -13.146 2.573 7.035 1.00 0.00 H new ATOM 0 HA SER A 26 -13.985 2.401 9.741 1.00 0.00 H new ATOM 0 HB2 SER A 26 -13.708 4.410 7.621 1.00 0.00 H new ATOM 0 HB3 SER A 26 -15.165 4.672 8.559 1.00 0.00 H new ATOM 0 HG SER A 26 -13.319 5.720 9.493 1.00 0.00 H new ATOM 422 N GLN A 27 -16.532 2.908 7.707 1.00 0.00 N ATOM 423 CA GLN A 27 -17.952 2.617 7.510 1.00 0.00 C ATOM 424 C GLN A 27 -18.143 1.256 6.844 1.00 0.00 C ATOM 425 O GLN A 27 -19.217 0.662 6.914 1.00 0.00 O ATOM 426 CB GLN A 27 -18.605 3.711 6.662 1.00 0.00 C ATOM 427 CG GLN A 27 -18.566 5.085 7.309 1.00 0.00 C ATOM 428 CD GLN A 27 -19.277 6.139 6.485 1.00 0.00 C ATOM 429 OE1 GLN A 27 -20.406 6.525 6.789 1.00 0.00 O ATOM 430 NE2 GLN A 27 -18.619 6.611 5.432 1.00 0.00 N ATOM 0 H GLN A 27 -16.152 3.607 7.068 1.00 0.00 H new ATOM 0 HA GLN A 27 -18.431 2.591 8.489 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -18.103 3.759 5.696 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -19.643 3.439 6.469 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -19.025 5.031 8.296 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -17.528 5.384 7.456 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -17.685 6.263 5.216 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -19.048 7.321 4.839 1.00 0.00 H new ATOM 439 N PHE A 28 -17.083 0.770 6.207 1.00 0.00 N ATOM 440 CA PHE A 28 -17.107 -0.524 5.532 1.00 0.00 C ATOM 441 C PHE A 28 -17.050 -1.651 6.563 1.00 0.00 C ATOM 442 O PHE A 28 -15.971 -2.030 7.017 1.00 0.00 O ATOM 443 CB PHE A 28 -15.924 -0.639 4.561 1.00 0.00 C ATOM 444 CG PHE A 28 -15.501 0.672 3.953 1.00 0.00 C ATOM 445 CD1 PHE A 28 -14.701 1.551 4.665 1.00 0.00 C ATOM 446 CD2 PHE A 28 -15.898 1.023 2.674 1.00 0.00 C ATOM 447 CE1 PHE A 28 -14.309 2.755 4.119 1.00 0.00 C ATOM 448 CE2 PHE A 28 -15.507 2.227 2.121 1.00 0.00 C ATOM 449 CZ PHE A 28 -14.711 3.094 2.846 1.00 0.00 C ATOM 0 H PHE A 28 -16.189 1.257 6.144 1.00 0.00 H new ATOM 0 HA PHE A 28 -18.034 -0.607 4.965 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -15.075 -1.074 5.089 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -16.190 -1.330 3.761 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -14.380 1.289 5.662 1.00 0.00 H new ATOM 0 HD2 PHE A 28 -16.519 0.349 2.103 1.00 0.00 H new ATOM 0 HE1 PHE A 28 -13.688 3.431 4.688 1.00 0.00 H new ATOM 0 HE2 PHE A 28 -15.823 2.491 1.123 1.00 0.00 H new ATOM 0 HZ PHE A 28 -14.405 4.036 2.415 1.00 0.00 H new ATOM 459 N GLY A 29 -18.218 -2.167 6.950 1.00 0.00 N ATOM 460 CA GLY A 29 -18.265 -3.226 7.946 1.00 0.00 C ATOM 461 C GLY A 29 -18.737 -4.561 7.395 1.00 0.00 C ATOM 462 O GLY A 29 -18.302 -4.994 6.332 1.00 0.00 O ATOM 0 H GLY A 29 -19.127 -1.872 6.593 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -17.272 -3.352 8.377 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -18.928 -2.922 8.756 1.00 0.00 H new ATOM 466 N PHE A 30 -19.628 -5.218 8.130 1.00 0.00 N ATOM 467 CA PHE A 30 -20.156 -6.519 7.718 1.00 0.00 C ATOM 468 C PHE A 30 -20.944 -6.429 6.410 1.00 0.00 C ATOM 469 O PHE A 30 -21.349 -7.450 5.855 1.00 0.00 O ATOM 470 CB PHE A 30 -21.046 -7.098 8.819 1.00 0.00 C ATOM 471 CG PHE A 30 -22.022 -6.107 9.387 1.00 0.00 C ATOM 472 CD1 PHE A 30 -23.170 -5.767 8.690 1.00 0.00 C ATOM 473 CD2 PHE A 30 -21.791 -5.516 10.620 1.00 0.00 C ATOM 474 CE1 PHE A 30 -24.070 -4.856 9.211 1.00 0.00 C ATOM 475 CE2 PHE A 30 -22.687 -4.604 11.146 1.00 0.00 C ATOM 476 CZ PHE A 30 -23.827 -4.273 10.440 1.00 0.00 C ATOM 0 H PHE A 30 -20.001 -4.873 9.014 1.00 0.00 H new ATOM 0 HA PHE A 30 -19.304 -7.178 7.549 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -21.597 -7.949 8.419 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -20.415 -7.476 9.623 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -23.364 -6.219 7.728 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -20.901 -5.771 11.176 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -24.962 -4.600 8.658 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -22.496 -4.151 12.108 1.00 0.00 H new ATOM 0 HZ PHE A 30 -24.528 -3.559 10.848 1.00 0.00 H new ATOM 486 N PHE A 31 -21.162 -5.212 5.920 1.00 0.00 N ATOM 487 CA PHE A 31 -21.904 -5.009 4.681 1.00 0.00 C ATOM 488 C PHE A 31 -21.061 -4.274 3.642 1.00 0.00 C ATOM 489 O PHE A 31 -21.586 -3.776 2.647 1.00 0.00 O ATOM 490 CB PHE A 31 -23.178 -4.217 4.959 1.00 0.00 C ATOM 491 CG PHE A 31 -22.927 -2.873 5.581 1.00 0.00 C ATOM 492 CD1 PHE A 31 -22.594 -2.766 6.921 1.00 0.00 C ATOM 493 CD2 PHE A 31 -23.024 -1.715 4.823 1.00 0.00 C ATOM 494 CE1 PHE A 31 -22.362 -1.529 7.496 1.00 0.00 C ATOM 495 CE2 PHE A 31 -22.794 -0.478 5.392 1.00 0.00 C ATOM 496 CZ PHE A 31 -22.461 -0.385 6.730 1.00 0.00 C ATOM 0 H PHE A 31 -20.835 -4.353 6.362 1.00 0.00 H new ATOM 0 HA PHE A 31 -22.161 -5.990 4.281 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -23.722 -4.080 4.024 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -23.821 -4.799 5.619 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -22.514 -3.658 7.524 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -23.282 -1.782 3.776 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -22.104 -1.459 8.542 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -22.874 0.416 4.792 1.00 0.00 H new ATOM 0 HZ PHE A 31 -22.278 0.582 7.176 1.00 0.00 H new ATOM 506 N GLU A 32 -19.756 -4.210 3.877 1.00 0.00 N ATOM 507 CA GLU A 32 -18.849 -3.533 2.959 1.00 0.00 C ATOM 508 C GLU A 32 -17.410 -3.976 3.196 1.00 0.00 C ATOM 509 O GLU A 32 -16.654 -4.196 2.253 1.00 0.00 O ATOM 510 CB GLU A 32 -18.966 -2.016 3.123 1.00 0.00 C ATOM 511 CG GLU A 32 -19.900 -1.361 2.119 1.00 0.00 C ATOM 512 CD GLU A 32 -19.553 -1.710 0.684 1.00 0.00 C ATOM 513 OE1 GLU A 32 -20.044 -2.747 0.190 1.00 0.00 O ATOM 514 OE2 GLU A 32 -18.791 -0.947 0.056 1.00 0.00 O ATOM 0 H GLU A 32 -19.303 -4.618 4.695 1.00 0.00 H new ATOM 0 HA GLU A 32 -19.129 -3.802 1.941 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -19.318 -1.795 4.131 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -17.975 -1.572 3.027 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -20.924 -1.670 2.326 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -19.862 -0.279 2.245 1.00 0.00 H new ATOM 521 N ARG A 33 -17.037 -4.110 4.463 1.00 0.00 N ATOM 522 CA ARG A 33 -15.685 -4.533 4.825 1.00 0.00 C ATOM 523 C ARG A 33 -15.263 -5.757 4.020 1.00 0.00 C ATOM 524 O ARG A 33 -14.099 -5.899 3.645 1.00 0.00 O ATOM 525 CB ARG A 33 -15.603 -4.845 6.320 1.00 0.00 C ATOM 526 CG ARG A 33 -14.217 -4.648 6.910 1.00 0.00 C ATOM 527 CD ARG A 33 -14.187 -4.988 8.391 1.00 0.00 C ATOM 528 NE ARG A 33 -13.988 -6.417 8.621 1.00 0.00 N ATOM 529 CZ ARG A 33 -13.562 -6.932 9.773 1.00 0.00 C ATOM 530 NH1 ARG A 33 -13.288 -6.138 10.801 1.00 0.00 N ATOM 531 NH2 ARG A 33 -13.409 -8.244 9.896 1.00 0.00 N ATOM 0 H ARG A 33 -17.650 -3.932 5.259 1.00 0.00 H new ATOM 0 HA ARG A 33 -15.006 -3.713 4.594 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -16.309 -4.209 6.854 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -15.915 -5.876 6.485 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -13.502 -5.275 6.377 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -13.903 -3.614 6.767 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -13.387 -4.428 8.875 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -15.122 -4.673 8.854 1.00 0.00 H new ATOM 0 HE ARG A 33 -14.187 -7.059 7.853 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -13.403 -5.129 10.711 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -12.962 -6.537 11.681 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -13.618 -8.858 9.109 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -13.083 -8.639 10.778 1.00 0.00 H new ATOM 545 N SER A 34 -16.222 -6.637 3.760 1.00 0.00 N ATOM 546 CA SER A 34 -15.963 -7.852 3.002 1.00 0.00 C ATOM 547 C SER A 34 -15.745 -7.541 1.524 1.00 0.00 C ATOM 548 O SER A 34 -14.698 -7.859 0.958 1.00 0.00 O ATOM 549 CB SER A 34 -17.134 -8.823 3.164 1.00 0.00 C ATOM 550 OG SER A 34 -16.843 -10.080 2.579 1.00 0.00 O ATOM 0 H SER A 34 -17.189 -6.530 4.065 1.00 0.00 H new ATOM 0 HA SER A 34 -15.054 -8.311 3.390 1.00 0.00 H new ATOM 0 HB2 SER A 34 -17.357 -8.955 4.223 1.00 0.00 H new ATOM 0 HB3 SER A 34 -18.026 -8.401 2.701 1.00 0.00 H new ATOM 0 HG SER A 34 -17.608 -10.681 2.699 1.00 0.00 H new ATOM 556 N SER A 35 -16.743 -6.918 0.905 1.00 0.00 N ATOM 557 CA SER A 35 -16.667 -6.567 -0.508 1.00 0.00 C ATOM 558 C SER A 35 -15.525 -5.595 -0.779 1.00 0.00 C ATOM 559 O SER A 35 -14.663 -5.856 -1.620 1.00 0.00 O ATOM 560 CB SER A 35 -17.990 -5.954 -0.973 1.00 0.00 C ATOM 561 OG SER A 35 -18.622 -5.245 0.078 1.00 0.00 O ATOM 0 H SER A 35 -17.614 -6.646 1.360 1.00 0.00 H new ATOM 0 HA SER A 35 -16.475 -7.482 -1.068 1.00 0.00 H new ATOM 0 HB2 SER A 35 -17.808 -5.281 -1.811 1.00 0.00 H new ATOM 0 HB3 SER A 35 -18.652 -6.741 -1.334 1.00 0.00 H new ATOM 0 HG SER A 35 -19.006 -4.414 -0.272 1.00 0.00 H new ATOM 567 N VAL A 36 -15.522 -4.469 -0.070 1.00 0.00 N ATOM 568 CA VAL A 36 -14.481 -3.462 -0.252 1.00 0.00 C ATOM 569 C VAL A 36 -13.097 -4.049 -0.001 1.00 0.00 C ATOM 570 O VAL A 36 -12.174 -3.833 -0.784 1.00 0.00 O ATOM 571 CB VAL A 36 -14.668 -2.234 0.662 1.00 0.00 C ATOM 572 CG1 VAL A 36 -13.921 -1.048 0.081 1.00 0.00 C ATOM 573 CG2 VAL A 36 -16.140 -1.892 0.857 1.00 0.00 C ATOM 0 H VAL A 36 -16.224 -4.232 0.631 1.00 0.00 H new ATOM 0 HA VAL A 36 -14.568 -3.135 -1.288 1.00 0.00 H new ATOM 0 HB VAL A 36 -14.260 -2.477 1.643 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -14.054 -0.181 0.728 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -12.860 -1.287 0.008 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -14.311 -0.823 -0.912 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -16.228 -1.021 1.507 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -16.593 -1.671 -0.109 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -16.653 -2.739 1.313 1.00 0.00 H new ATOM 583 N GLY A 37 -12.952 -4.797 1.091 1.00 0.00 N ATOM 584 CA GLY A 37 -11.665 -5.399 1.396 1.00 0.00 C ATOM 585 C GLY A 37 -11.101 -6.141 0.205 1.00 0.00 C ATOM 586 O GLY A 37 -9.955 -5.919 -0.191 1.00 0.00 O ATOM 0 H GLY A 37 -13.694 -4.995 1.763 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -10.965 -4.624 1.707 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -11.774 -6.086 2.235 1.00 0.00 H new ATOM 590 N GLN A 38 -11.919 -7.004 -0.390 1.00 0.00 N ATOM 591 CA GLN A 38 -11.502 -7.753 -1.564 1.00 0.00 C ATOM 592 C GLN A 38 -11.196 -6.786 -2.703 1.00 0.00 C ATOM 593 O GLN A 38 -10.318 -7.035 -3.529 1.00 0.00 O ATOM 594 CB GLN A 38 -12.593 -8.740 -1.985 1.00 0.00 C ATOM 595 CG GLN A 38 -12.254 -9.527 -3.241 1.00 0.00 C ATOM 596 CD GLN A 38 -11.106 -10.494 -3.030 1.00 0.00 C ATOM 597 OE1 GLN A 38 -9.891 -9.963 -2.952 1.00 0.00 O flip ATOM 598 NE2 GLN A 38 -11.307 -11.706 -2.939 1.00 0.00 N flip ATOM 0 H GLN A 38 -12.870 -7.199 -0.078 1.00 0.00 H new ATOM 0 HA GLN A 38 -10.603 -8.320 -1.323 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -12.774 -9.438 -1.168 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -13.522 -8.193 -2.149 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -13.135 -10.080 -3.568 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -11.998 -8.834 -4.042 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -12.257 -12.072 -3.005 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -10.524 -12.344 -2.798 1.00 0.00 H new ATOM 607 N PHE A 39 -11.923 -5.670 -2.722 1.00 0.00 N ATOM 608 CA PHE A 39 -11.730 -4.645 -3.738 1.00 0.00 C ATOM 609 C PHE A 39 -10.361 -3.999 -3.577 1.00 0.00 C ATOM 610 O PHE A 39 -9.668 -3.720 -4.556 1.00 0.00 O ATOM 611 CB PHE A 39 -12.825 -3.579 -3.637 1.00 0.00 C ATOM 612 CG PHE A 39 -12.726 -2.513 -4.691 1.00 0.00 C ATOM 613 CD1 PHE A 39 -11.742 -1.538 -4.616 1.00 0.00 C ATOM 614 CD2 PHE A 39 -13.615 -2.483 -5.752 1.00 0.00 C ATOM 615 CE1 PHE A 39 -11.649 -0.555 -5.582 1.00 0.00 C ATOM 616 CE2 PHE A 39 -13.526 -1.502 -6.722 1.00 0.00 C ATOM 617 CZ PHE A 39 -12.542 -0.536 -6.636 1.00 0.00 C ATOM 0 H PHE A 39 -12.652 -5.455 -2.042 1.00 0.00 H new ATOM 0 HA PHE A 39 -11.788 -5.115 -4.720 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -13.799 -4.063 -3.712 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -12.776 -3.112 -2.654 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -11.042 -1.548 -3.794 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -14.387 -3.235 -5.823 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -10.878 0.199 -5.513 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -14.225 -1.491 -7.546 1.00 0.00 H new ATOM 0 HZ PHE A 39 -12.471 0.233 -7.391 1.00 0.00 H new ATOM 627 N MET A 40 -9.984 -3.764 -2.326 1.00 0.00 N ATOM 628 CA MET A 40 -8.706 -3.145 -2.010 1.00 0.00 C ATOM 629 C MET A 40 -7.532 -3.983 -2.503 1.00 0.00 C ATOM 630 O MET A 40 -6.714 -3.519 -3.296 1.00 0.00 O ATOM 631 CB MET A 40 -8.585 -2.935 -0.504 1.00 0.00 C ATOM 632 CG MET A 40 -9.391 -1.759 0.004 1.00 0.00 C ATOM 633 SD MET A 40 -9.889 -1.945 1.724 1.00 0.00 S ATOM 634 CE MET A 40 -11.440 -1.053 1.712 1.00 0.00 C ATOM 0 H MET A 40 -10.551 -3.995 -1.510 1.00 0.00 H new ATOM 0 HA MET A 40 -8.673 -2.184 -2.523 1.00 0.00 H new ATOM 0 HB2 MET A 40 -8.912 -3.839 0.009 1.00 0.00 H new ATOM 0 HB3 MET A 40 -7.536 -2.785 -0.248 1.00 0.00 H new ATOM 0 HG2 MET A 40 -8.802 -0.848 -0.102 1.00 0.00 H new ATOM 0 HG3 MET A 40 -10.280 -1.639 -0.616 1.00 0.00 H new ATOM 0 HE1 MET A 40 -11.523 -0.456 2.620 1.00 0.00 H new ATOM 0 HE2 MET A 40 -11.476 -0.398 0.842 1.00 0.00 H new ATOM 0 HE3 MET A 40 -12.267 -1.762 1.667 1.00 0.00 H new ATOM 644 N THR A 41 -7.446 -5.215 -2.014 1.00 0.00 N ATOM 645 CA THR A 41 -6.360 -6.111 -2.392 1.00 0.00 C ATOM 646 C THR A 41 -6.300 -6.308 -3.902 1.00 0.00 C ATOM 647 O THR A 41 -5.299 -5.986 -4.527 1.00 0.00 O ATOM 648 CB THR A 41 -6.525 -7.462 -1.700 1.00 0.00 C ATOM 649 OG1 THR A 41 -7.088 -7.301 -0.411 1.00 0.00 O ATOM 650 CG2 THR A 41 -5.223 -8.218 -1.544 1.00 0.00 C ATOM 0 H THR A 41 -8.114 -5.616 -1.356 1.00 0.00 H new ATOM 0 HA THR A 41 -5.425 -5.652 -2.072 1.00 0.00 H new ATOM 0 HB THR A 41 -7.185 -8.039 -2.348 1.00 0.00 H new ATOM 0 HG1 THR A 41 -7.187 -8.178 0.015 1.00 0.00 H new ATOM 0 HG21 THR A 41 -5.412 -9.169 -1.045 1.00 0.00 H new ATOM 0 HG22 THR A 41 -4.790 -8.404 -2.527 1.00 0.00 H new ATOM 0 HG23 THR A 41 -4.528 -7.627 -0.947 1.00 0.00 H new ATOM 658 N PHE A 42 -7.373 -6.840 -4.484 1.00 0.00 N ATOM 659 CA PHE A 42 -7.428 -7.075 -5.929 1.00 0.00 C ATOM 660 C PHE A 42 -6.848 -5.888 -6.695 1.00 0.00 C ATOM 661 O PHE A 42 -6.070 -6.055 -7.636 1.00 0.00 O ATOM 662 CB PHE A 42 -8.871 -7.326 -6.371 1.00 0.00 C ATOM 663 CG PHE A 42 -8.982 -8.215 -7.576 1.00 0.00 C ATOM 664 CD1 PHE A 42 -8.542 -9.529 -7.529 1.00 0.00 C ATOM 665 CD2 PHE A 42 -9.528 -7.738 -8.757 1.00 0.00 C ATOM 666 CE1 PHE A 42 -8.643 -10.349 -8.637 1.00 0.00 C ATOM 667 CE2 PHE A 42 -9.632 -8.553 -9.868 1.00 0.00 C ATOM 668 CZ PHE A 42 -9.189 -9.860 -9.808 1.00 0.00 C ATOM 0 H PHE A 42 -8.216 -7.117 -3.980 1.00 0.00 H new ATOM 0 HA PHE A 42 -6.828 -7.957 -6.152 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -9.423 -7.776 -5.545 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -9.347 -6.370 -6.589 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -8.115 -9.916 -6.616 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -9.876 -6.717 -8.810 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -8.296 -11.370 -8.587 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -10.059 -8.168 -10.782 1.00 0.00 H new ATOM 0 HZ PHE A 42 -9.269 -10.499 -10.675 1.00 0.00 H new ATOM 678 N PHE A 43 -7.222 -4.690 -6.268 1.00 0.00 N ATOM 679 CA PHE A 43 -6.737 -3.466 -6.889 1.00 0.00 C ATOM 680 C PHE A 43 -5.277 -3.231 -6.523 1.00 0.00 C ATOM 681 O PHE A 43 -4.486 -2.783 -7.350 1.00 0.00 O ATOM 682 CB PHE A 43 -7.592 -2.278 -6.442 1.00 0.00 C ATOM 683 CG PHE A 43 -7.900 -1.293 -7.533 1.00 0.00 C ATOM 684 CD1 PHE A 43 -8.180 -1.720 -8.822 1.00 0.00 C ATOM 685 CD2 PHE A 43 -7.914 0.067 -7.265 1.00 0.00 C ATOM 686 CE1 PHE A 43 -8.467 -0.811 -9.821 1.00 0.00 C ATOM 687 CE2 PHE A 43 -8.200 0.981 -8.260 1.00 0.00 C ATOM 688 CZ PHE A 43 -8.476 0.541 -9.540 1.00 0.00 C ATOM 0 H PHE A 43 -7.864 -4.540 -5.489 1.00 0.00 H new ATOM 0 HA PHE A 43 -6.812 -3.567 -7.972 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -8.530 -2.654 -6.033 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -7.077 -1.758 -5.634 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -8.174 -2.776 -9.047 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -7.699 0.416 -6.266 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -8.684 -1.157 -10.821 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -8.208 2.038 -8.038 1.00 0.00 H new ATOM 0 HZ PHE A 43 -8.699 1.254 -10.320 1.00 0.00 H new ATOM 698 N ALA A 44 -4.932 -3.541 -5.277 1.00 0.00 N ATOM 699 CA ALA A 44 -3.568 -3.368 -4.787 1.00 0.00 C ATOM 700 C ALA A 44 -2.593 -4.307 -5.495 1.00 0.00 C ATOM 701 O ALA A 44 -1.460 -3.931 -5.818 1.00 0.00 O ATOM 702 CB ALA A 44 -3.528 -3.599 -3.285 1.00 0.00 C ATOM 0 H ALA A 44 -5.581 -3.915 -4.585 1.00 0.00 H new ATOM 0 HA ALA A 44 -3.256 -2.346 -5.005 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -2.508 -3.469 -2.924 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -4.183 -2.882 -2.789 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -3.865 -4.612 -3.064 1.00 0.00 H new ATOM 708 N GLU A 45 -3.046 -5.526 -5.744 1.00 0.00 N ATOM 709 CA GLU A 45 -2.235 -6.522 -6.422 1.00 0.00 C ATOM 710 C GLU A 45 -2.075 -6.142 -7.887 1.00 0.00 C ATOM 711 O GLU A 45 -1.020 -6.350 -8.484 1.00 0.00 O ATOM 712 CB GLU A 45 -2.885 -7.898 -6.294 1.00 0.00 C ATOM 713 CG GLU A 45 -4.275 -7.963 -6.894 1.00 0.00 C ATOM 714 CD GLU A 45 -4.793 -9.381 -7.023 1.00 0.00 C ATOM 715 OE1 GLU A 45 -4.880 -10.078 -5.990 1.00 0.00 O ATOM 716 OE2 GLU A 45 -5.111 -9.796 -8.158 1.00 0.00 O ATOM 0 H GLU A 45 -3.978 -5.850 -5.484 1.00 0.00 H new ATOM 0 HA GLU A 45 -1.249 -6.561 -5.960 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -2.251 -8.638 -6.782 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -2.939 -8.170 -5.240 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -4.961 -7.386 -6.274 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -4.263 -7.494 -7.878 1.00 0.00 H new ATOM 723 N THR A 46 -3.129 -5.559 -8.455 1.00 0.00 N ATOM 724 CA THR A 46 -3.100 -5.123 -9.844 1.00 0.00 C ATOM 725 C THR A 46 -2.042 -4.050 -10.018 1.00 0.00 C ATOM 726 O THR A 46 -1.154 -4.168 -10.856 1.00 0.00 O ATOM 727 CB THR A 46 -4.467 -4.573 -10.262 1.00 0.00 C ATOM 728 OG1 THR A 46 -5.368 -5.626 -10.548 1.00 0.00 O ATOM 729 CG2 THR A 46 -4.412 -3.669 -11.479 1.00 0.00 C ATOM 0 H THR A 46 -4.010 -5.379 -7.974 1.00 0.00 H new ATOM 0 HA THR A 46 -2.860 -5.978 -10.476 1.00 0.00 H new ATOM 0 HB THR A 46 -4.807 -3.983 -9.411 1.00 0.00 H new ATOM 0 HG1 THR A 46 -5.755 -5.961 -9.712 1.00 0.00 H new ATOM 0 HG21 THR A 46 -5.416 -3.317 -11.717 1.00 0.00 H new ATOM 0 HG22 THR A 46 -3.768 -2.815 -11.269 1.00 0.00 H new ATOM 0 HG23 THR A 46 -4.012 -4.225 -12.327 1.00 0.00 H new ATOM 737 N VAL A 47 -2.152 -2.995 -9.220 1.00 0.00 N ATOM 738 CA VAL A 47 -1.203 -1.889 -9.289 1.00 0.00 C ATOM 739 C VAL A 47 0.225 -2.397 -9.305 1.00 0.00 C ATOM 740 O VAL A 47 0.957 -2.186 -10.268 1.00 0.00 O ATOM 741 CB VAL A 47 -1.331 -0.895 -8.117 1.00 0.00 C ATOM 742 CG1 VAL A 47 -1.823 0.439 -8.602 1.00 0.00 C ATOM 743 CG2 VAL A 47 -2.229 -1.402 -7.013 1.00 0.00 C ATOM 0 H VAL A 47 -2.885 -2.881 -8.520 1.00 0.00 H new ATOM 0 HA VAL A 47 -1.445 -1.368 -10.215 1.00 0.00 H new ATOM 0 HB VAL A 47 -0.331 -0.785 -7.697 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -1.906 1.125 -7.759 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -1.120 0.843 -9.331 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -2.800 0.318 -9.069 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -2.280 -0.660 -6.216 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -3.229 -1.579 -7.409 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -1.827 -2.334 -6.616 1.00 0.00 H new ATOM 753 N ALA A 48 0.619 -3.077 -8.240 1.00 0.00 N ATOM 754 CA ALA A 48 1.964 -3.613 -8.170 1.00 0.00 C ATOM 755 C ALA A 48 2.240 -4.476 -9.401 1.00 0.00 C ATOM 756 O ALA A 48 3.377 -4.582 -9.860 1.00 0.00 O ATOM 757 CB ALA A 48 2.162 -4.385 -6.880 1.00 0.00 C ATOM 0 H ALA A 48 0.035 -3.268 -7.425 1.00 0.00 H new ATOM 0 HA ALA A 48 2.682 -2.793 -8.167 1.00 0.00 H new ATOM 0 HB1 ALA A 48 3.177 -4.780 -6.845 1.00 0.00 H new ATOM 0 HB2 ALA A 48 2.001 -3.721 -6.030 1.00 0.00 H new ATOM 0 HB3 ALA A 48 1.450 -5.209 -6.836 1.00 0.00 H new ATOM 763 N SER A 49 1.174 -5.070 -9.940 1.00 0.00 N ATOM 764 CA SER A 49 1.275 -5.903 -11.132 1.00 0.00 C ATOM 765 C SER A 49 1.421 -5.030 -12.379 1.00 0.00 C ATOM 766 O SER A 49 2.149 -5.378 -13.309 1.00 0.00 O ATOM 767 CB SER A 49 0.045 -6.807 -11.259 1.00 0.00 C ATOM 768 OG SER A 49 -0.244 -7.099 -12.615 1.00 0.00 O ATOM 0 H SER A 49 0.229 -4.987 -9.566 1.00 0.00 H new ATOM 0 HA SER A 49 2.160 -6.532 -11.040 1.00 0.00 H new ATOM 0 HB2 SER A 49 0.216 -7.735 -10.714 1.00 0.00 H new ATOM 0 HB3 SER A 49 -0.815 -6.321 -10.799 1.00 0.00 H new ATOM 0 HG SER A 49 -1.033 -7.679 -12.664 1.00 0.00 H new ATOM 774 N ARG A 50 0.727 -3.891 -12.388 1.00 0.00 N ATOM 775 CA ARG A 50 0.788 -2.970 -13.517 1.00 0.00 C ATOM 776 C ARG A 50 2.011 -2.074 -13.412 1.00 0.00 C ATOM 777 O ARG A 50 2.510 -1.567 -14.417 1.00 0.00 O ATOM 778 CB ARG A 50 -0.484 -2.124 -13.614 1.00 0.00 C ATOM 779 CG ARG A 50 -0.638 -1.132 -12.479 1.00 0.00 C ATOM 780 CD ARG A 50 -1.941 -0.351 -12.566 1.00 0.00 C ATOM 781 NE ARG A 50 -2.233 0.096 -13.929 1.00 0.00 N ATOM 782 CZ ARG A 50 -2.720 1.298 -14.234 1.00 0.00 C ATOM 783 NH1 ARG A 50 -2.985 2.184 -13.280 1.00 0.00 N ATOM 784 NH2 ARG A 50 -2.950 1.616 -15.500 1.00 0.00 N ATOM 0 H ARG A 50 0.119 -3.587 -11.627 1.00 0.00 H new ATOM 0 HA ARG A 50 0.867 -3.566 -14.426 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -0.480 -1.583 -14.560 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -1.350 -2.785 -13.628 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -0.598 -1.663 -11.528 1.00 0.00 H new ATOM 0 HG3 ARG A 50 0.201 -0.436 -12.491 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -2.760 -0.975 -12.208 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -1.887 0.515 -11.906 1.00 0.00 H new ATOM 0 HE ARG A 50 -2.052 -0.554 -14.694 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -2.816 1.947 -12.302 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -3.358 3.101 -13.525 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -2.754 0.941 -16.239 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -3.323 2.536 -15.735 1.00 0.00 H new ATOM 798 N THR A 51 2.506 -1.896 -12.193 1.00 0.00 N ATOM 799 CA THR A 51 3.683 -1.081 -11.976 1.00 0.00 C ATOM 800 C THR A 51 4.928 -1.918 -12.246 1.00 0.00 C ATOM 801 O THR A 51 5.268 -2.812 -11.471 1.00 0.00 O ATOM 802 CB THR A 51 3.685 -0.532 -10.548 1.00 0.00 C ATOM 803 OG1 THR A 51 2.536 0.264 -10.330 1.00 0.00 O ATOM 804 CG2 THR A 51 4.896 0.317 -10.233 1.00 0.00 C ATOM 0 H THR A 51 2.109 -2.305 -11.347 1.00 0.00 H new ATOM 0 HA THR A 51 3.677 -0.232 -12.660 1.00 0.00 H new ATOM 0 HB THR A 51 3.699 -1.406 -9.896 1.00 0.00 H new ATOM 0 HG1 THR A 51 1.747 -0.313 -10.257 1.00 0.00 H new ATOM 0 HG21 THR A 51 4.833 0.674 -9.205 1.00 0.00 H new ATOM 0 HG22 THR A 51 5.800 -0.279 -10.356 1.00 0.00 H new ATOM 0 HG23 THR A 51 4.929 1.170 -10.911 1.00 0.00 H new ATOM 812 N GLY A 52 5.586 -1.640 -13.367 1.00 0.00 N ATOM 813 CA GLY A 52 6.769 -2.394 -13.748 1.00 0.00 C ATOM 814 C GLY A 52 8.042 -1.939 -13.055 1.00 0.00 C ATOM 815 O GLY A 52 9.104 -1.894 -13.677 1.00 0.00 O ATOM 0 H GLY A 52 5.321 -0.904 -14.021 1.00 0.00 H new ATOM 0 HA2 GLY A 52 6.603 -3.448 -13.525 1.00 0.00 H new ATOM 0 HA3 GLY A 52 6.906 -2.314 -14.826 1.00 0.00 H new ATOM 819 N ALA A 53 7.946 -1.618 -11.770 1.00 0.00 N ATOM 820 CA ALA A 53 9.109 -1.184 -11.002 1.00 0.00 C ATOM 821 C ALA A 53 9.763 0.049 -11.618 1.00 0.00 C ATOM 822 O ALA A 53 9.698 0.264 -12.828 1.00 0.00 O ATOM 823 CB ALA A 53 10.119 -2.314 -10.893 1.00 0.00 C ATOM 0 H ALA A 53 7.076 -1.650 -11.238 1.00 0.00 H new ATOM 0 HA ALA A 53 8.764 -0.913 -10.004 1.00 0.00 H new ATOM 0 HB1 ALA A 53 10.981 -1.977 -10.318 1.00 0.00 H new ATOM 0 HB2 ALA A 53 9.659 -3.166 -10.392 1.00 0.00 H new ATOM 0 HB3 ALA A 53 10.442 -2.611 -11.891 1.00 0.00 H new ATOM 829 N GLY A 54 10.393 0.859 -10.774 1.00 0.00 N ATOM 830 CA GLY A 54 11.047 2.060 -11.252 1.00 0.00 C ATOM 831 C GLY A 54 10.058 3.136 -11.639 1.00 0.00 C ATOM 832 O GLY A 54 10.432 4.146 -12.237 1.00 0.00 O ATOM 0 H GLY A 54 10.462 0.704 -9.768 1.00 0.00 H new ATOM 0 HA2 GLY A 54 11.712 2.442 -10.477 1.00 0.00 H new ATOM 0 HA3 GLY A 54 11.669 1.814 -12.113 1.00 0.00 H new ATOM 836 N GLU A 55 8.791 2.923 -11.301 1.00 0.00 N ATOM 837 CA GLU A 55 7.753 3.888 -11.622 1.00 0.00 C ATOM 838 C GLU A 55 6.627 3.852 -10.596 1.00 0.00 C ATOM 839 O GLU A 55 6.405 2.839 -9.933 1.00 0.00 O ATOM 840 CB GLU A 55 7.192 3.618 -13.019 1.00 0.00 C ATOM 841 CG GLU A 55 6.764 2.177 -13.236 1.00 0.00 C ATOM 842 CD GLU A 55 5.643 2.049 -14.248 1.00 0.00 C ATOM 843 OE1 GLU A 55 5.523 2.939 -15.116 1.00 0.00 O ATOM 844 OE2 GLU A 55 4.884 1.059 -14.174 1.00 0.00 O ATOM 0 H GLU A 55 8.462 2.094 -10.807 1.00 0.00 H new ATOM 0 HA GLU A 55 8.203 4.881 -11.600 1.00 0.00 H new ATOM 0 HB2 GLU A 55 6.337 4.272 -13.190 1.00 0.00 H new ATOM 0 HB3 GLU A 55 7.947 3.879 -13.761 1.00 0.00 H new ATOM 0 HG2 GLU A 55 7.621 1.594 -13.573 1.00 0.00 H new ATOM 0 HG3 GLU A 55 6.442 1.750 -12.286 1.00 0.00 H new ATOM 851 N ARG A 56 5.916 4.967 -10.478 1.00 0.00 N ATOM 852 CA ARG A 56 4.804 5.076 -9.542 1.00 0.00 C ATOM 853 C ARG A 56 3.478 5.053 -10.291 1.00 0.00 C ATOM 854 O ARG A 56 3.378 5.567 -11.405 1.00 0.00 O ATOM 855 CB ARG A 56 4.924 6.366 -8.729 1.00 0.00 C ATOM 856 CG ARG A 56 6.250 6.502 -7.997 1.00 0.00 C ATOM 857 CD ARG A 56 6.837 7.894 -8.159 1.00 0.00 C ATOM 858 NE ARG A 56 7.303 8.138 -9.523 1.00 0.00 N ATOM 859 CZ ARG A 56 7.514 9.351 -10.027 1.00 0.00 C ATOM 860 NH1 ARG A 56 7.305 10.432 -9.286 1.00 0.00 N ATOM 861 NH2 ARG A 56 7.936 9.485 -11.278 1.00 0.00 N ATOM 0 H ARG A 56 6.091 5.812 -11.022 1.00 0.00 H new ATOM 0 HA ARG A 56 4.837 4.225 -8.862 1.00 0.00 H new ATOM 0 HB2 ARG A 56 4.797 7.219 -9.396 1.00 0.00 H new ATOM 0 HB3 ARG A 56 4.112 6.405 -8.003 1.00 0.00 H new ATOM 0 HG2 ARG A 56 6.105 6.288 -6.938 1.00 0.00 H new ATOM 0 HG3 ARG A 56 6.954 5.763 -8.378 1.00 0.00 H new ATOM 0 HD2 ARG A 56 6.085 8.637 -7.895 1.00 0.00 H new ATOM 0 HD3 ARG A 56 7.668 8.020 -7.464 1.00 0.00 H new ATOM 0 HE ARG A 56 7.476 7.332 -10.123 1.00 0.00 H new ATOM 0 HH11 ARG A 56 6.981 10.336 -8.324 1.00 0.00 H new ATOM 0 HH12 ARG A 56 7.469 11.359 -9.679 1.00 0.00 H new ATOM 0 HH21 ARG A 56 8.098 8.658 -11.853 1.00 0.00 H new ATOM 0 HH22 ARG A 56 8.098 10.415 -11.665 1.00 0.00 H new ATOM 875 N GLN A 57 2.460 4.456 -9.680 1.00 0.00 N ATOM 876 CA GLN A 57 1.145 4.378 -10.312 1.00 0.00 C ATOM 877 C GLN A 57 0.050 4.911 -9.403 1.00 0.00 C ATOM 878 O GLN A 57 0.003 4.609 -8.213 1.00 0.00 O ATOM 879 CB GLN A 57 0.808 2.935 -10.712 1.00 0.00 C ATOM 880 CG GLN A 57 1.442 2.504 -12.024 1.00 0.00 C ATOM 881 CD GLN A 57 0.496 2.632 -13.203 1.00 0.00 C ATOM 882 OE1 GLN A 57 0.420 1.742 -14.051 1.00 0.00 O ATOM 883 NE2 GLN A 57 -0.231 3.741 -13.263 1.00 0.00 N ATOM 0 H GLN A 57 2.517 4.023 -8.758 1.00 0.00 H new ATOM 0 HA GLN A 57 1.192 5.000 -11.206 1.00 0.00 H new ATOM 0 HB2 GLN A 57 1.137 2.261 -9.921 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -0.274 2.832 -10.790 1.00 0.00 H new ATOM 0 HG2 GLN A 57 2.330 3.108 -12.209 1.00 0.00 H new ATOM 0 HG3 GLN A 57 1.773 1.469 -11.940 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -0.136 4.453 -12.539 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -0.884 3.881 -14.034 1.00 0.00 H new ATOM 892 N SER A 58 -0.855 5.680 -9.985 1.00 0.00 N ATOM 893 CA SER A 58 -1.977 6.222 -9.252 1.00 0.00 C ATOM 894 C SER A 58 -3.262 5.820 -9.965 1.00 0.00 C ATOM 895 O SER A 58 -3.612 6.381 -11.002 1.00 0.00 O ATOM 896 CB SER A 58 -1.877 7.746 -9.147 1.00 0.00 C ATOM 897 OG SER A 58 -1.621 8.151 -7.814 1.00 0.00 O ATOM 0 H SER A 58 -0.830 5.942 -10.970 1.00 0.00 H new ATOM 0 HA SER A 58 -1.975 5.823 -8.238 1.00 0.00 H new ATOM 0 HB2 SER A 58 -1.081 8.107 -9.799 1.00 0.00 H new ATOM 0 HB3 SER A 58 -2.805 8.199 -9.496 1.00 0.00 H new ATOM 0 HG SER A 58 -2.328 7.810 -7.227 1.00 0.00 H new ATOM 903 N ILE A 59 -3.941 4.826 -9.416 1.00 0.00 N ATOM 904 CA ILE A 59 -5.174 4.319 -10.014 1.00 0.00 C ATOM 905 C ILE A 59 -6.400 5.007 -9.433 1.00 0.00 C ATOM 906 O ILE A 59 -6.788 4.757 -8.292 1.00 0.00 O ATOM 907 CB ILE A 59 -5.315 2.786 -9.839 1.00 0.00 C ATOM 908 CG1 ILE A 59 -4.366 2.273 -8.759 1.00 0.00 C ATOM 909 CG2 ILE A 59 -5.048 2.070 -11.155 1.00 0.00 C ATOM 910 CD1 ILE A 59 -4.682 0.877 -8.282 1.00 0.00 C ATOM 0 H ILE A 59 -3.662 4.351 -8.557 1.00 0.00 H new ATOM 0 HA ILE A 59 -5.111 4.543 -11.079 1.00 0.00 H new ATOM 0 HB ILE A 59 -6.338 2.575 -9.528 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -3.347 2.293 -9.145 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -4.398 2.953 -7.908 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -5.152 0.994 -11.012 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -5.764 2.407 -11.904 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -4.036 2.295 -11.493 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -3.965 0.583 -7.516 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -5.689 0.854 -7.864 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -4.621 0.183 -9.121 1.00 0.00 H new ATOM 922 N GLU A 60 -7.008 5.870 -10.236 1.00 0.00 N ATOM 923 CA GLU A 60 -8.200 6.601 -9.820 1.00 0.00 C ATOM 924 C GLU A 60 -9.456 5.922 -10.352 1.00 0.00 C ATOM 925 O GLU A 60 -9.661 5.843 -11.563 1.00 0.00 O ATOM 926 CB GLU A 60 -8.139 8.046 -10.315 1.00 0.00 C ATOM 927 CG GLU A 60 -6.782 8.702 -10.116 1.00 0.00 C ATOM 928 CD GLU A 60 -6.833 10.208 -10.280 1.00 0.00 C ATOM 929 OE1 GLU A 60 -7.160 10.674 -11.392 1.00 0.00 O ATOM 930 OE2 GLU A 60 -6.545 10.923 -9.296 1.00 0.00 O ATOM 0 H GLU A 60 -6.695 6.082 -11.183 1.00 0.00 H new ATOM 0 HA GLU A 60 -8.237 6.603 -8.731 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -8.392 8.069 -11.375 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -8.896 8.632 -9.794 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -6.409 8.461 -9.121 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -6.073 8.286 -10.832 1.00 0.00 H new ATOM 937 N GLU A 61 -10.289 5.423 -9.447 1.00 0.00 N ATOM 938 CA GLU A 61 -11.518 4.740 -9.847 1.00 0.00 C ATOM 939 C GLU A 61 -12.697 5.111 -8.949 1.00 0.00 C ATOM 940 O GLU A 61 -12.817 4.618 -7.830 1.00 0.00 O ATOM 941 CB GLU A 61 -11.307 3.224 -9.823 1.00 0.00 C ATOM 942 CG GLU A 61 -12.522 2.432 -10.276 1.00 0.00 C ATOM 943 CD GLU A 61 -12.549 2.211 -11.776 1.00 0.00 C ATOM 944 OE1 GLU A 61 -11.932 1.231 -12.243 1.00 0.00 O ATOM 945 OE2 GLU A 61 -13.188 3.018 -12.484 1.00 0.00 O ATOM 0 H GLU A 61 -10.140 5.476 -8.439 1.00 0.00 H new ATOM 0 HA GLU A 61 -11.757 5.064 -10.860 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -10.461 2.973 -10.463 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -11.042 2.919 -8.811 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -12.531 1.467 -9.770 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -13.427 2.958 -9.974 1.00 0.00 H new ATOM 952 N GLY A 62 -13.577 5.966 -9.463 1.00 0.00 N ATOM 953 CA GLY A 62 -14.754 6.376 -8.709 1.00 0.00 C ATOM 954 C GLY A 62 -14.428 6.920 -7.330 1.00 0.00 C ATOM 955 O GLY A 62 -14.543 6.209 -6.332 1.00 0.00 O ATOM 0 H GLY A 62 -13.498 6.384 -10.390 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -15.291 7.138 -9.274 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -15.425 5.523 -8.606 1.00 0.00 H new ATOM 959 N ASN A 63 -14.032 8.188 -7.273 1.00 0.00 N ATOM 960 CA ASN A 63 -13.700 8.842 -6.007 1.00 0.00 C ATOM 961 C ASN A 63 -12.717 8.013 -5.178 1.00 0.00 C ATOM 962 O ASN A 63 -12.610 8.198 -3.966 1.00 0.00 O ATOM 963 CB ASN A 63 -14.973 9.098 -5.197 1.00 0.00 C ATOM 964 CG ASN A 63 -15.538 10.486 -5.432 1.00 0.00 C ATOM 965 OD1 ASN A 63 -15.026 11.474 -4.907 1.00 0.00 O ATOM 966 ND2 ASN A 63 -16.601 10.565 -6.224 1.00 0.00 N ATOM 0 H ASN A 63 -13.932 8.787 -8.092 1.00 0.00 H new ATOM 0 HA ASN A 63 -13.219 9.791 -6.245 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -15.724 8.353 -5.461 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -14.757 8.971 -4.136 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -17.026 11.472 -6.418 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -16.992 9.719 -6.638 1.00 0.00 H new ATOM 973 N TYR A 64 -11.996 7.111 -5.834 1.00 0.00 N ATOM 974 CA TYR A 64 -11.020 6.268 -5.153 1.00 0.00 C ATOM 975 C TYR A 64 -9.690 6.301 -5.895 1.00 0.00 C ATOM 976 O TYR A 64 -9.659 6.350 -7.123 1.00 0.00 O ATOM 977 CB TYR A 64 -11.525 4.824 -5.063 1.00 0.00 C ATOM 978 CG TYR A 64 -12.138 4.458 -3.728 1.00 0.00 C ATOM 979 CD1 TYR A 64 -13.090 5.273 -3.127 1.00 0.00 C ATOM 980 CD2 TYR A 64 -11.770 3.289 -3.074 1.00 0.00 C ATOM 981 CE1 TYR A 64 -13.656 4.934 -1.911 1.00 0.00 C ATOM 982 CE2 TYR A 64 -12.330 2.944 -1.858 1.00 0.00 C ATOM 983 CZ TYR A 64 -13.272 3.769 -1.281 1.00 0.00 C ATOM 984 OH TYR A 64 -13.832 3.428 -0.072 1.00 0.00 O ATOM 0 H TYR A 64 -12.069 6.944 -6.838 1.00 0.00 H new ATOM 0 HA TYR A 64 -10.878 6.654 -4.144 1.00 0.00 H new ATOM 0 HB2 TYR A 64 -12.266 4.662 -5.846 1.00 0.00 H new ATOM 0 HB3 TYR A 64 -10.694 4.148 -5.265 1.00 0.00 H new ATOM 0 HD1 TYR A 64 -13.393 6.186 -3.617 1.00 0.00 H new ATOM 0 HD2 TYR A 64 -11.034 2.639 -3.523 1.00 0.00 H new ATOM 0 HE1 TYR A 64 -14.395 5.578 -1.458 1.00 0.00 H new ATOM 0 HE2 TYR A 64 -12.031 2.032 -1.362 1.00 0.00 H new ATOM 0 HH TYR A 64 -14.385 2.627 -0.182 1.00 0.00 H new ATOM 994 N ILE A 65 -8.596 6.272 -5.147 1.00 0.00 N ATOM 995 CA ILE A 65 -7.267 6.296 -5.742 1.00 0.00 C ATOM 996 C ILE A 65 -6.427 5.126 -5.252 1.00 0.00 C ATOM 997 O ILE A 65 -6.661 4.582 -4.175 1.00 0.00 O ATOM 998 CB ILE A 65 -6.518 7.611 -5.422 1.00 0.00 C ATOM 999 CG1 ILE A 65 -7.124 8.768 -6.221 1.00 0.00 C ATOM 1000 CG2 ILE A 65 -5.019 7.477 -5.713 1.00 0.00 C ATOM 1001 CD1 ILE A 65 -6.163 9.914 -6.450 1.00 0.00 C ATOM 0 H ILE A 65 -8.602 6.232 -4.128 1.00 0.00 H new ATOM 0 HA ILE A 65 -7.409 6.222 -6.820 1.00 0.00 H new ATOM 0 HB ILE A 65 -6.631 7.822 -4.359 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -7.466 8.393 -7.186 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -8.003 9.141 -5.695 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -4.518 8.416 -5.479 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -4.599 6.679 -5.100 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -4.873 7.240 -6.767 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -6.660 10.697 -7.022 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -5.840 10.316 -5.489 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -5.295 9.556 -7.004 1.00 0.00 H new ATOM 1013 N GLY A 66 -5.433 4.765 -6.046 1.00 0.00 N ATOM 1014 CA GLY A 66 -4.550 3.686 -5.673 1.00 0.00 C ATOM 1015 C GLY A 66 -3.106 4.003 -5.985 1.00 0.00 C ATOM 1016 O GLY A 66 -2.541 3.496 -6.954 1.00 0.00 O ATOM 0 H GLY A 66 -5.223 5.202 -6.944 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -4.655 3.484 -4.607 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -4.844 2.778 -6.200 1.00 0.00 H new ATOM 1020 N HIS A 67 -2.507 4.850 -5.157 1.00 0.00 N ATOM 1021 CA HIS A 67 -1.121 5.242 -5.345 1.00 0.00 C ATOM 1022 C HIS A 67 -0.215 4.017 -5.397 1.00 0.00 C ATOM 1023 O HIS A 67 -0.579 2.943 -4.919 1.00 0.00 O ATOM 1024 CB HIS A 67 -0.667 6.174 -4.221 1.00 0.00 C ATOM 1025 CG HIS A 67 -1.413 7.470 -4.184 1.00 0.00 C ATOM 1026 ND1 HIS A 67 -1.474 8.335 -5.256 1.00 0.00 N ATOM 1027 CD2 HIS A 67 -2.136 8.045 -3.197 1.00 0.00 C ATOM 1028 CE1 HIS A 67 -2.203 9.387 -4.928 1.00 0.00 C ATOM 1029 NE2 HIS A 67 -2.617 9.235 -3.683 1.00 0.00 N ATOM 0 H HIS A 67 -2.961 5.277 -4.350 1.00 0.00 H new ATOM 0 HA HIS A 67 -1.049 5.772 -6.295 1.00 0.00 H new ATOM 0 HB2 HIS A 67 -0.791 5.665 -3.265 1.00 0.00 H new ATOM 0 HB3 HIS A 67 0.397 6.379 -4.337 1.00 0.00 H new ATOM 0 HD1 HIS A 67 -1.027 8.186 -6.160 1.00 0.00 H new ATOM 0 HD2 HIS A 67 -2.304 7.642 -2.209 1.00 0.00 H new ATOM 0 HE1 HIS A 67 -2.423 10.228 -5.569 1.00 0.00 H new ATOM 1038 N VAL A 68 0.959 4.181 -5.991 1.00 0.00 N ATOM 1039 CA VAL A 68 1.909 3.084 -6.117 1.00 0.00 C ATOM 1040 C VAL A 68 3.339 3.601 -6.177 1.00 0.00 C ATOM 1041 O VAL A 68 3.637 4.561 -6.886 1.00 0.00 O ATOM 1042 CB VAL A 68 1.606 2.247 -7.384 1.00 0.00 C ATOM 1043 CG1 VAL A 68 2.854 1.631 -7.984 1.00 0.00 C ATOM 1044 CG2 VAL A 68 0.619 1.152 -7.082 1.00 0.00 C ATOM 0 H VAL A 68 1.277 5.063 -6.393 1.00 0.00 H new ATOM 0 HA VAL A 68 1.804 2.452 -5.235 1.00 0.00 H new ATOM 0 HB VAL A 68 1.182 2.940 -8.111 1.00 0.00 H new ATOM 0 HG11 VAL A 68 2.586 1.055 -8.870 1.00 0.00 H new ATOM 0 HG12 VAL A 68 3.552 2.421 -8.263 1.00 0.00 H new ATOM 0 HG13 VAL A 68 3.323 0.974 -7.252 1.00 0.00 H new ATOM 0 HG21 VAL A 68 0.423 0.579 -7.988 1.00 0.00 H new ATOM 0 HG22 VAL A 68 1.030 0.493 -6.317 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -0.312 1.590 -6.722 1.00 0.00 H new ATOM 1054 N TYR A 69 4.222 2.935 -5.445 1.00 0.00 N ATOM 1055 CA TYR A 69 5.628 3.297 -5.427 1.00 0.00 C ATOM 1056 C TYR A 69 6.489 2.046 -5.393 1.00 0.00 C ATOM 1057 O TYR A 69 6.507 1.317 -4.400 1.00 0.00 O ATOM 1058 CB TYR A 69 5.948 4.178 -4.224 1.00 0.00 C ATOM 1059 CG TYR A 69 5.100 5.423 -4.138 1.00 0.00 C ATOM 1060 CD1 TYR A 69 3.802 5.370 -3.650 1.00 0.00 C ATOM 1061 CD2 TYR A 69 5.604 6.653 -4.538 1.00 0.00 C ATOM 1062 CE1 TYR A 69 3.027 6.508 -3.565 1.00 0.00 C ATOM 1063 CE2 TYR A 69 4.835 7.797 -4.456 1.00 0.00 C ATOM 1064 CZ TYR A 69 3.548 7.720 -3.969 1.00 0.00 C ATOM 1065 OH TYR A 69 2.778 8.857 -3.883 1.00 0.00 O ATOM 0 H TYR A 69 3.985 2.138 -4.854 1.00 0.00 H new ATOM 0 HA TYR A 69 5.846 3.860 -6.335 1.00 0.00 H new ATOM 0 HB2 TYR A 69 5.814 3.595 -3.313 1.00 0.00 H new ATOM 0 HB3 TYR A 69 6.998 4.467 -4.266 1.00 0.00 H new ATOM 0 HD1 TYR A 69 3.392 4.423 -3.332 1.00 0.00 H new ATOM 0 HD2 TYR A 69 6.613 6.716 -4.919 1.00 0.00 H new ATOM 0 HE1 TYR A 69 2.018 6.451 -3.184 1.00 0.00 H new ATOM 0 HE2 TYR A 69 5.240 8.747 -4.772 1.00 0.00 H new ATOM 0 HH TYR A 69 3.248 9.530 -3.348 1.00 0.00 H new ATOM 1075 N ALA A 70 7.192 1.796 -6.486 1.00 0.00 N ATOM 1076 CA ALA A 70 8.048 0.621 -6.586 1.00 0.00 C ATOM 1077 C ALA A 70 9.488 0.938 -6.197 1.00 0.00 C ATOM 1078 O ALA A 70 9.933 2.082 -6.293 1.00 0.00 O ATOM 1079 CB ALA A 70 7.993 0.051 -7.991 1.00 0.00 C ATOM 0 H ALA A 70 7.188 2.389 -7.316 1.00 0.00 H new ATOM 0 HA ALA A 70 7.674 -0.124 -5.883 1.00 0.00 H new ATOM 0 HB1 ALA A 70 8.637 -0.826 -8.053 1.00 0.00 H new ATOM 0 HB2 ALA A 70 6.968 -0.233 -8.228 1.00 0.00 H new ATOM 0 HB3 ALA A 70 8.335 0.803 -8.702 1.00 0.00 H new ATOM 1085 N ARG A 71 10.212 -0.090 -5.761 1.00 0.00 N ATOM 1086 CA ARG A 71 11.605 0.066 -5.359 1.00 0.00 C ATOM 1087 C ARG A 71 12.510 0.158 -6.583 1.00 0.00 C ATOM 1088 O ARG A 71 12.038 0.109 -7.719 1.00 0.00 O ATOM 1089 CB ARG A 71 12.034 -1.111 -4.480 1.00 0.00 C ATOM 1090 CG ARG A 71 13.105 -0.756 -3.459 1.00 0.00 C ATOM 1091 CD ARG A 71 14.412 -1.480 -3.743 1.00 0.00 C ATOM 1092 NE ARG A 71 15.574 -0.688 -3.350 1.00 0.00 N ATOM 1093 CZ ARG A 71 16.820 -0.959 -3.732 1.00 0.00 C ATOM 1094 NH1 ARG A 71 17.069 -1.999 -4.518 1.00 0.00 N ATOM 1095 NH2 ARG A 71 17.820 -0.186 -3.330 1.00 0.00 N ATOM 0 H ARG A 71 9.855 -1.042 -5.677 1.00 0.00 H new ATOM 0 HA ARG A 71 11.697 0.990 -4.788 1.00 0.00 H new ATOM 0 HB2 ARG A 71 11.160 -1.499 -3.956 1.00 0.00 H new ATOM 0 HB3 ARG A 71 12.405 -1.913 -5.118 1.00 0.00 H new ATOM 0 HG2 ARG A 71 13.275 0.321 -3.469 1.00 0.00 H new ATOM 0 HG3 ARG A 71 12.755 -1.014 -2.459 1.00 0.00 H new ATOM 0 HD2 ARG A 71 14.423 -2.430 -3.209 1.00 0.00 H new ATOM 0 HD3 ARG A 71 14.474 -1.712 -4.806 1.00 0.00 H new ATOM 0 HE ARG A 71 15.422 0.121 -2.747 1.00 0.00 H new ATOM 0 HH11 ARG A 71 16.304 -2.595 -4.833 1.00 0.00 H new ATOM 0 HH12 ARG A 71 18.026 -2.202 -4.808 1.00 0.00 H new ATOM 0 HH21 ARG A 71 17.634 0.616 -2.728 1.00 0.00 H new ATOM 0 HH22 ARG A 71 18.775 -0.394 -3.623 1.00 0.00 H new ATOM 1109 N SER A 72 13.811 0.292 -6.346 1.00 0.00 N ATOM 1110 CA SER A 72 14.780 0.389 -7.432 1.00 0.00 C ATOM 1111 C SER A 72 14.637 -0.781 -8.402 1.00 0.00 C ATOM 1112 O SER A 72 14.618 -0.590 -9.618 1.00 0.00 O ATOM 1113 CB SER A 72 16.204 0.429 -6.871 1.00 0.00 C ATOM 1114 OG SER A 72 17.161 0.506 -7.912 1.00 0.00 O ATOM 0 H SER A 72 14.219 0.336 -5.412 1.00 0.00 H new ATOM 0 HA SER A 72 14.583 1.313 -7.976 1.00 0.00 H new ATOM 0 HB2 SER A 72 16.313 1.288 -6.209 1.00 0.00 H new ATOM 0 HB3 SER A 72 16.387 -0.462 -6.270 1.00 0.00 H new ATOM 0 HG SER A 72 18.062 0.532 -7.527 1.00 0.00 H new ATOM 1120 N GLU A 73 14.532 -1.991 -7.857 1.00 0.00 N ATOM 1121 CA GLU A 73 14.390 -3.189 -8.679 1.00 0.00 C ATOM 1122 C GLU A 73 14.258 -4.440 -7.814 1.00 0.00 C ATOM 1123 O GLU A 73 15.249 -5.110 -7.523 1.00 0.00 O ATOM 1124 CB GLU A 73 15.588 -3.337 -9.620 1.00 0.00 C ATOM 1125 CG GLU A 73 15.319 -4.239 -10.813 1.00 0.00 C ATOM 1126 CD GLU A 73 16.351 -5.340 -10.957 1.00 0.00 C ATOM 1127 OE1 GLU A 73 16.441 -6.191 -10.047 1.00 0.00 O ATOM 1128 OE2 GLU A 73 17.070 -5.351 -11.978 1.00 0.00 O ATOM 0 H GLU A 73 14.543 -2.167 -6.852 1.00 0.00 H new ATOM 0 HA GLU A 73 13.480 -3.080 -9.269 1.00 0.00 H new ATOM 0 HB2 GLU A 73 15.880 -2.351 -9.980 1.00 0.00 H new ATOM 0 HB3 GLU A 73 16.433 -3.735 -9.058 1.00 0.00 H new ATOM 0 HG2 GLU A 73 14.330 -4.685 -10.711 1.00 0.00 H new ATOM 0 HG3 GLU A 73 15.305 -3.638 -11.722 1.00 0.00 H new ATOM 1135 N GLY A 74 13.031 -4.754 -7.410 1.00 0.00 N ATOM 1136 CA GLY A 74 12.799 -5.927 -6.588 1.00 0.00 C ATOM 1137 C GLY A 74 11.344 -6.086 -6.199 1.00 0.00 C ATOM 1138 O GLY A 74 10.529 -6.549 -6.997 1.00 0.00 O ATOM 0 H GLY A 74 12.194 -4.217 -7.637 1.00 0.00 H new ATOM 0 HA2 GLY A 74 13.126 -6.815 -7.128 1.00 0.00 H new ATOM 0 HA3 GLY A 74 13.407 -5.860 -5.686 1.00 0.00 H new ATOM 1142 N ILE A 75 11.016 -5.703 -4.970 1.00 0.00 N ATOM 1143 CA ILE A 75 9.646 -5.808 -4.481 1.00 0.00 C ATOM 1144 C ILE A 75 9.033 -4.416 -4.302 1.00 0.00 C ATOM 1145 O ILE A 75 9.509 -3.610 -3.503 1.00 0.00 O ATOM 1146 CB ILE A 75 9.564 -6.649 -3.167 1.00 0.00 C ATOM 1147 CG1 ILE A 75 9.477 -5.777 -1.904 1.00 0.00 C ATOM 1148 CG2 ILE A 75 10.754 -7.592 -3.061 1.00 0.00 C ATOM 1149 CD1 ILE A 75 10.751 -5.021 -1.583 1.00 0.00 C ATOM 0 H ILE A 75 11.678 -5.318 -4.296 1.00 0.00 H new ATOM 0 HA ILE A 75 9.060 -6.341 -5.230 1.00 0.00 H new ATOM 0 HB ILE A 75 8.641 -7.226 -3.227 1.00 0.00 H new ATOM 0 HG12 ILE A 75 8.664 -5.061 -2.025 1.00 0.00 H new ATOM 0 HG13 ILE A 75 9.220 -6.411 -1.055 1.00 0.00 H new ATOM 0 HG21 ILE A 75 10.680 -8.169 -2.140 1.00 0.00 H new ATOM 0 HG22 ILE A 75 10.758 -8.270 -3.915 1.00 0.00 H new ATOM 0 HG23 ILE A 75 11.677 -7.013 -3.053 1.00 0.00 H new ATOM 0 HD11 ILE A 75 10.606 -4.431 -0.678 1.00 0.00 H new ATOM 0 HD12 ILE A 75 11.565 -5.729 -1.427 1.00 0.00 H new ATOM 0 HD13 ILE A 75 11.000 -4.359 -2.412 1.00 0.00 H new ATOM 1161 N CYS A 76 7.988 -4.132 -5.077 1.00 0.00 N ATOM 1162 CA CYS A 76 7.326 -2.830 -5.024 1.00 0.00 C ATOM 1163 C CYS A 76 6.204 -2.807 -3.994 1.00 0.00 C ATOM 1164 O CYS A 76 5.669 -3.845 -3.614 1.00 0.00 O ATOM 1165 CB CYS A 76 6.778 -2.451 -6.404 1.00 0.00 C ATOM 1166 SG CYS A 76 5.748 -3.720 -7.176 1.00 0.00 S ATOM 0 H CYS A 76 7.582 -4.784 -5.748 1.00 0.00 H new ATOM 0 HA CYS A 76 8.074 -2.097 -4.720 1.00 0.00 H new ATOM 0 HB2 CYS A 76 6.195 -1.535 -6.310 1.00 0.00 H new ATOM 0 HB3 CYS A 76 7.616 -2.229 -7.065 1.00 0.00 H new ATOM 0 HG CYS A 76 5.551 -4.690 -6.334 1.00 0.00 H new ATOM 1172 N GLY A 77 5.855 -1.606 -3.546 1.00 0.00 N ATOM 1173 CA GLY A 77 4.796 -1.456 -2.566 1.00 0.00 C ATOM 1174 C GLY A 77 3.624 -0.678 -3.115 1.00 0.00 C ATOM 1175 O GLY A 77 3.793 0.143 -4.017 1.00 0.00 O ATOM 0 H GLY A 77 6.288 -0.732 -3.845 1.00 0.00 H new ATOM 0 HA2 GLY A 77 4.458 -2.441 -2.243 1.00 0.00 H new ATOM 0 HA3 GLY A 77 5.187 -0.948 -1.684 1.00 0.00 H new ATOM 1179 N VAL A 78 2.428 -0.933 -2.591 1.00 0.00 N ATOM 1180 CA VAL A 78 1.249 -0.234 -3.073 1.00 0.00 C ATOM 1181 C VAL A 78 0.559 0.563 -1.962 1.00 0.00 C ATOM 1182 O VAL A 78 0.545 0.161 -0.794 1.00 0.00 O ATOM 1183 CB VAL A 78 0.250 -1.211 -3.741 1.00 0.00 C ATOM 1184 CG1 VAL A 78 -1.186 -0.701 -3.685 1.00 0.00 C ATOM 1185 CG2 VAL A 78 0.666 -1.495 -5.176 1.00 0.00 C ATOM 0 H VAL A 78 2.254 -1.607 -1.845 1.00 0.00 H new ATOM 0 HA VAL A 78 1.590 0.477 -3.825 1.00 0.00 H new ATOM 0 HB VAL A 78 0.278 -2.141 -3.173 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -1.847 -1.422 -4.166 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -1.486 -0.572 -2.645 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -1.253 0.255 -4.203 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -0.046 -2.183 -5.632 1.00 0.00 H new ATOM 0 HG22 VAL A 78 0.683 -0.563 -5.741 1.00 0.00 H new ATOM 0 HG23 VAL A 78 1.660 -1.943 -5.185 1.00 0.00 H new ATOM 1195 N LEU A 79 -0.009 1.700 -2.356 1.00 0.00 N ATOM 1196 CA LEU A 79 -0.709 2.588 -1.433 1.00 0.00 C ATOM 1197 C LEU A 79 -2.040 3.034 -2.040 1.00 0.00 C ATOM 1198 O LEU A 79 -2.060 3.852 -2.955 1.00 0.00 O ATOM 1199 CB LEU A 79 0.165 3.811 -1.137 1.00 0.00 C ATOM 1200 CG LEU A 79 0.414 4.096 0.345 1.00 0.00 C ATOM 1201 CD1 LEU A 79 1.845 4.559 0.567 1.00 0.00 C ATOM 1202 CD2 LEU A 79 -0.570 5.140 0.851 1.00 0.00 C ATOM 0 H LEU A 79 0.003 2.031 -3.321 1.00 0.00 H new ATOM 0 HA LEU A 79 -0.909 2.053 -0.504 1.00 0.00 H new ATOM 0 HB2 LEU A 79 1.128 3.677 -1.630 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -0.303 4.688 -1.585 1.00 0.00 H new ATOM 0 HG LEU A 79 0.263 3.174 0.907 1.00 0.00 H new ATOM 0 HD11 LEU A 79 2.003 4.757 1.627 1.00 0.00 H new ATOM 0 HD12 LEU A 79 2.534 3.782 0.236 1.00 0.00 H new ATOM 0 HD13 LEU A 79 2.025 5.470 -0.003 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -0.383 5.335 1.907 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -0.445 6.063 0.284 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -1.588 4.772 0.725 1.00 0.00 H new ATOM 1214 N ILE A 80 -3.149 2.486 -1.544 1.00 0.00 N ATOM 1215 CA ILE A 80 -4.467 2.839 -2.078 1.00 0.00 C ATOM 1216 C ILE A 80 -5.264 3.722 -1.116 1.00 0.00 C ATOM 1217 O ILE A 80 -5.564 3.325 0.007 1.00 0.00 O ATOM 1218 CB ILE A 80 -5.311 1.586 -2.431 1.00 0.00 C ATOM 1219 CG1 ILE A 80 -4.580 0.301 -2.044 1.00 0.00 C ATOM 1220 CG2 ILE A 80 -5.644 1.571 -3.916 1.00 0.00 C ATOM 1221 CD1 ILE A 80 -5.254 -0.956 -2.558 1.00 0.00 C ATOM 0 H ILE A 80 -3.164 1.806 -0.784 1.00 0.00 H new ATOM 0 HA ILE A 80 -4.270 3.401 -2.991 1.00 0.00 H new ATOM 0 HB ILE A 80 -6.238 1.636 -1.860 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -3.561 0.341 -2.430 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -4.507 0.247 -0.958 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -6.236 0.686 -4.147 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -6.213 2.465 -4.170 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -4.721 1.552 -4.496 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -4.681 -1.829 -2.246 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -6.263 -1.020 -2.151 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -5.303 -0.924 -3.646 1.00 0.00 H new ATOM 1233 N THR A 81 -5.617 4.919 -1.583 1.00 0.00 N ATOM 1234 CA THR A 81 -6.391 5.866 -0.785 1.00 0.00 C ATOM 1235 C THR A 81 -7.367 6.642 -1.671 1.00 0.00 C ATOM 1236 O THR A 81 -7.500 6.348 -2.855 1.00 0.00 O ATOM 1237 CB THR A 81 -5.462 6.823 -0.033 1.00 0.00 C ATOM 1238 OG1 THR A 81 -6.172 7.954 0.438 1.00 0.00 O ATOM 1239 CG2 THR A 81 -4.309 7.321 -0.871 1.00 0.00 C ATOM 0 H THR A 81 -5.377 5.256 -2.515 1.00 0.00 H new ATOM 0 HA THR A 81 -6.969 5.305 -0.050 1.00 0.00 H new ATOM 0 HB THR A 81 -5.062 6.238 0.795 1.00 0.00 H new ATOM 0 HG1 THR A 81 -5.654 8.395 1.144 1.00 0.00 H new ATOM 0 HG21 THR A 81 -3.691 7.994 -0.277 1.00 0.00 H new ATOM 0 HG22 THR A 81 -3.708 6.474 -1.202 1.00 0.00 H new ATOM 0 HG23 THR A 81 -4.694 7.855 -1.740 1.00 0.00 H new ATOM 1247 N ASP A 82 -8.060 7.622 -1.099 1.00 0.00 N ATOM 1248 CA ASP A 82 -9.029 8.408 -1.854 1.00 0.00 C ATOM 1249 C ASP A 82 -8.370 9.593 -2.550 1.00 0.00 C ATOM 1250 O ASP A 82 -7.228 9.945 -2.256 1.00 0.00 O ATOM 1251 CB ASP A 82 -10.144 8.899 -0.931 1.00 0.00 C ATOM 1252 CG ASP A 82 -11.440 9.153 -1.678 1.00 0.00 C ATOM 1253 OD1 ASP A 82 -11.494 10.124 -2.461 1.00 0.00 O ATOM 1254 OD2 ASP A 82 -12.400 8.379 -1.479 1.00 0.00 O ATOM 0 H ASP A 82 -7.969 7.890 -0.119 1.00 0.00 H new ATOM 0 HA ASP A 82 -9.453 7.761 -2.622 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -10.317 8.160 -0.149 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -9.826 9.817 -0.437 1.00 0.00 H new ATOM 1259 N LYS A 83 -9.106 10.208 -3.474 1.00 0.00 N ATOM 1260 CA LYS A 83 -8.602 11.359 -4.214 1.00 0.00 C ATOM 1261 C LYS A 83 -8.180 12.472 -3.261 1.00 0.00 C ATOM 1262 O LYS A 83 -7.328 13.297 -3.593 1.00 0.00 O ATOM 1263 CB LYS A 83 -9.666 11.875 -5.186 1.00 0.00 C ATOM 1264 CG LYS A 83 -10.902 12.432 -4.498 1.00 0.00 C ATOM 1265 CD LYS A 83 -11.350 13.742 -5.127 1.00 0.00 C ATOM 1266 CE LYS A 83 -11.694 13.567 -6.599 1.00 0.00 C ATOM 1267 NZ LYS A 83 -11.105 14.646 -7.439 1.00 0.00 N ATOM 0 H LYS A 83 -10.053 9.927 -3.727 1.00 0.00 H new ATOM 0 HA LYS A 83 -7.728 11.041 -4.783 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -9.228 12.652 -5.812 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -9.965 11.063 -5.849 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -11.711 11.704 -4.557 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -10.691 12.589 -3.440 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -12.219 14.124 -4.592 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -10.560 14.485 -5.023 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -11.331 12.599 -6.944 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -12.777 13.563 -6.721 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -11.362 14.490 -8.435 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -11.471 15.568 -7.127 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -10.069 14.634 -7.343 1.00 0.00 H new ATOM 1281 N GLN A 84 -8.770 12.482 -2.067 1.00 0.00 N ATOM 1282 CA GLN A 84 -8.444 13.484 -1.058 1.00 0.00 C ATOM 1283 C GLN A 84 -7.261 13.016 -0.214 1.00 0.00 C ATOM 1284 O GLN A 84 -7.251 13.164 1.008 1.00 0.00 O ATOM 1285 CB GLN A 84 -9.655 13.752 -0.163 1.00 0.00 C ATOM 1286 CG GLN A 84 -10.563 14.857 -0.681 1.00 0.00 C ATOM 1287 CD GLN A 84 -10.566 16.080 0.216 1.00 0.00 C ATOM 1288 OE1 GLN A 84 -11.014 16.024 1.360 1.00 0.00 O ATOM 1289 NE2 GLN A 84 -10.063 17.194 -0.303 1.00 0.00 N ATOM 0 H GLN A 84 -9.477 11.806 -1.776 1.00 0.00 H new ATOM 0 HA GLN A 84 -8.172 14.411 -1.563 1.00 0.00 H new ATOM 0 HB2 GLN A 84 -10.234 12.834 -0.065 1.00 0.00 H new ATOM 0 HB3 GLN A 84 -9.307 14.017 0.835 1.00 0.00 H new ATOM 0 HG2 GLN A 84 -10.242 15.146 -1.682 1.00 0.00 H new ATOM 0 HG3 GLN A 84 -11.580 14.474 -0.770 1.00 0.00 H new ATOM 0 HE21 GLN A 84 -9.702 17.195 -1.257 1.00 0.00 H new ATOM 0 HE22 GLN A 84 -10.038 18.049 0.252 1.00 0.00 H new ATOM 1298 N TYR A 85 -6.268 12.444 -0.886 1.00 0.00 N ATOM 1299 CA TYR A 85 -5.074 11.939 -0.236 1.00 0.00 C ATOM 1300 C TYR A 85 -3.858 12.260 -1.096 1.00 0.00 C ATOM 1301 O TYR A 85 -3.421 11.439 -1.901 1.00 0.00 O ATOM 1302 CB TYR A 85 -5.204 10.430 -0.038 1.00 0.00 C ATOM 1303 CG TYR A 85 -4.125 9.815 0.823 1.00 0.00 C ATOM 1304 CD1 TYR A 85 -2.840 9.619 0.333 1.00 0.00 C ATOM 1305 CD2 TYR A 85 -4.397 9.416 2.124 1.00 0.00 C ATOM 1306 CE1 TYR A 85 -1.859 9.043 1.115 1.00 0.00 C ATOM 1307 CE2 TYR A 85 -3.421 8.841 2.914 1.00 0.00 C ATOM 1308 CZ TYR A 85 -2.153 8.657 2.404 1.00 0.00 C ATOM 1309 OH TYR A 85 -1.175 8.082 3.182 1.00 0.00 O ATOM 0 H TYR A 85 -6.273 12.319 -1.898 1.00 0.00 H new ATOM 0 HA TYR A 85 -4.952 12.412 0.738 1.00 0.00 H new ATOM 0 HB2 TYR A 85 -6.174 10.218 0.411 1.00 0.00 H new ATOM 0 HB3 TYR A 85 -5.192 9.946 -1.015 1.00 0.00 H new ATOM 0 HD1 TYR A 85 -2.605 9.922 -0.676 1.00 0.00 H new ATOM 0 HD2 TYR A 85 -5.389 9.558 2.526 1.00 0.00 H new ATOM 0 HE1 TYR A 85 -0.866 8.896 0.718 1.00 0.00 H new ATOM 0 HE2 TYR A 85 -3.649 8.537 3.925 1.00 0.00 H new ATOM 0 HH TYR A 85 -0.883 8.721 3.865 1.00 0.00 H new ATOM 1319 N PRO A 86 -3.312 13.477 -0.951 1.00 0.00 N ATOM 1320 CA PRO A 86 -2.156 13.931 -1.722 1.00 0.00 C ATOM 1321 C PRO A 86 -1.119 12.833 -1.958 1.00 0.00 C ATOM 1322 O PRO A 86 -0.913 11.964 -1.112 1.00 0.00 O ATOM 1323 CB PRO A 86 -1.594 15.034 -0.839 1.00 0.00 C ATOM 1324 CG PRO A 86 -2.794 15.640 -0.197 1.00 0.00 C ATOM 1325 CD PRO A 86 -3.794 14.525 -0.027 1.00 0.00 C ATOM 0 HA PRO A 86 -2.427 14.251 -2.728 1.00 0.00 H new ATOM 0 HB2 PRO A 86 -0.904 14.635 -0.095 1.00 0.00 H new ATOM 0 HB3 PRO A 86 -1.042 15.769 -1.424 1.00 0.00 H new ATOM 0 HG2 PRO A 86 -2.538 16.082 0.766 1.00 0.00 H new ATOM 0 HG3 PRO A 86 -3.204 16.438 -0.815 1.00 0.00 H new ATOM 0 HD2 PRO A 86 -3.824 14.168 1.002 1.00 0.00 H new ATOM 0 HD3 PRO A 86 -4.803 14.850 -0.281 1.00 0.00 H new ATOM 1333 N VAL A 87 -0.480 12.881 -3.123 1.00 0.00 N ATOM 1334 CA VAL A 87 0.529 11.891 -3.496 1.00 0.00 C ATOM 1335 C VAL A 87 1.858 12.150 -2.794 1.00 0.00 C ATOM 1336 O VAL A 87 2.646 11.228 -2.580 1.00 0.00 O ATOM 1337 CB VAL A 87 0.774 11.880 -5.019 1.00 0.00 C ATOM 1338 CG1 VAL A 87 1.347 10.544 -5.460 1.00 0.00 C ATOM 1339 CG2 VAL A 87 -0.505 12.195 -5.780 1.00 0.00 C ATOM 0 H VAL A 87 -0.643 13.598 -3.829 1.00 0.00 H new ATOM 0 HA VAL A 87 0.137 10.923 -3.183 1.00 0.00 H new ATOM 0 HB VAL A 87 1.502 12.658 -5.249 1.00 0.00 H new ATOM 0 HG11 VAL A 87 1.512 10.557 -6.537 1.00 0.00 H new ATOM 0 HG12 VAL A 87 2.294 10.368 -4.949 1.00 0.00 H new ATOM 0 HG13 VAL A 87 0.646 9.747 -5.210 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -0.304 12.181 -6.851 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -1.263 11.448 -5.543 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -0.866 13.182 -5.492 1.00 0.00 H new ATOM 1349 N ARG A 88 2.109 13.408 -2.448 1.00 0.00 N ATOM 1350 CA ARG A 88 3.352 13.780 -1.781 1.00 0.00 C ATOM 1351 C ARG A 88 3.545 12.983 -0.496 1.00 0.00 C ATOM 1352 O ARG A 88 4.543 12.277 -0.348 1.00 0.00 O ATOM 1353 CB ARG A 88 3.384 15.282 -1.501 1.00 0.00 C ATOM 1354 CG ARG A 88 2.975 16.119 -2.697 1.00 0.00 C ATOM 1355 CD ARG A 88 4.176 16.529 -3.531 1.00 0.00 C ATOM 1356 NE ARG A 88 3.823 16.739 -4.934 1.00 0.00 N ATOM 1357 CZ ARG A 88 3.067 17.746 -5.366 1.00 0.00 C ATOM 1358 NH1 ARG A 88 2.589 18.642 -4.510 1.00 0.00 N ATOM 1359 NH2 ARG A 88 2.790 17.860 -6.658 1.00 0.00 N ATOM 0 H ARG A 88 1.471 14.185 -2.618 1.00 0.00 H new ATOM 0 HA ARG A 88 4.179 13.539 -2.449 1.00 0.00 H new ATOM 0 HB2 ARG A 88 2.720 15.504 -0.666 1.00 0.00 H new ATOM 0 HB3 ARG A 88 4.390 15.567 -1.193 1.00 0.00 H new ATOM 0 HG2 ARG A 88 2.278 15.554 -3.316 1.00 0.00 H new ATOM 0 HG3 ARG A 88 2.448 17.010 -2.355 1.00 0.00 H new ATOM 0 HD2 ARG A 88 4.604 17.445 -3.124 1.00 0.00 H new ATOM 0 HD3 ARG A 88 4.945 15.760 -3.462 1.00 0.00 H new ATOM 0 HE ARG A 88 4.177 16.075 -5.623 1.00 0.00 H new ATOM 0 HH11 ARG A 88 2.801 18.561 -3.516 1.00 0.00 H new ATOM 0 HH12 ARG A 88 2.010 19.411 -4.847 1.00 0.00 H new ATOM 0 HH21 ARG A 88 3.156 17.176 -7.320 1.00 0.00 H new ATOM 0 HH22 ARG A 88 2.211 18.631 -6.989 1.00 0.00 H new ATOM 1373 N PRO A 89 2.590 13.052 0.451 1.00 0.00 N ATOM 1374 CA PRO A 89 2.690 12.295 1.697 1.00 0.00 C ATOM 1375 C PRO A 89 2.810 10.812 1.408 1.00 0.00 C ATOM 1376 O PRO A 89 3.467 10.073 2.142 1.00 0.00 O ATOM 1377 CB PRO A 89 1.384 12.609 2.437 1.00 0.00 C ATOM 1378 CG PRO A 89 0.467 13.155 1.396 1.00 0.00 C ATOM 1379 CD PRO A 89 1.344 13.831 0.381 1.00 0.00 C ATOM 0 HA PRO A 89 3.569 12.562 2.283 1.00 0.00 H new ATOM 0 HB2 PRO A 89 0.968 11.713 2.898 1.00 0.00 H new ATOM 0 HB3 PRO A 89 1.548 13.332 3.236 1.00 0.00 H new ATOM 0 HG2 PRO A 89 -0.119 12.359 0.936 1.00 0.00 H new ATOM 0 HG3 PRO A 89 -0.241 13.861 1.831 1.00 0.00 H new ATOM 0 HD2 PRO A 89 0.905 13.801 -0.616 1.00 0.00 H new ATOM 0 HD3 PRO A 89 1.510 14.880 0.625 1.00 0.00 H new ATOM 1387 N ALA A 90 2.212 10.387 0.299 1.00 0.00 N ATOM 1388 CA ALA A 90 2.301 9.003 -0.117 1.00 0.00 C ATOM 1389 C ALA A 90 3.744 8.713 -0.477 1.00 0.00 C ATOM 1390 O ALA A 90 4.238 7.603 -0.283 1.00 0.00 O ATOM 1391 CB ALA A 90 1.375 8.727 -1.291 1.00 0.00 C ATOM 0 H ALA A 90 1.664 10.983 -0.321 1.00 0.00 H new ATOM 0 HA ALA A 90 1.984 8.348 0.695 1.00 0.00 H new ATOM 0 HB1 ALA A 90 1.461 7.681 -1.584 1.00 0.00 H new ATOM 0 HB2 ALA A 90 0.346 8.939 -1.001 1.00 0.00 H new ATOM 0 HB3 ALA A 90 1.653 9.363 -2.131 1.00 0.00 H new ATOM 1397 N TYR A 91 4.430 9.746 -0.969 1.00 0.00 N ATOM 1398 CA TYR A 91 5.832 9.618 -1.309 1.00 0.00 C ATOM 1399 C TYR A 91 6.619 9.390 -0.028 1.00 0.00 C ATOM 1400 O TYR A 91 7.505 8.534 0.036 1.00 0.00 O ATOM 1401 CB TYR A 91 6.335 10.872 -2.028 1.00 0.00 C ATOM 1402 CG TYR A 91 7.647 10.669 -2.752 1.00 0.00 C ATOM 1403 CD1 TYR A 91 7.873 9.531 -3.516 1.00 0.00 C ATOM 1404 CD2 TYR A 91 8.661 11.616 -2.669 1.00 0.00 C ATOM 1405 CE1 TYR A 91 9.072 9.342 -4.177 1.00 0.00 C ATOM 1406 CE2 TYR A 91 9.863 11.434 -3.329 1.00 0.00 C ATOM 1407 CZ TYR A 91 10.062 10.296 -4.080 1.00 0.00 C ATOM 1408 OH TYR A 91 11.257 10.112 -4.738 1.00 0.00 O ATOM 0 H TYR A 91 4.034 10.671 -1.137 1.00 0.00 H new ATOM 0 HA TYR A 91 5.968 8.774 -1.985 1.00 0.00 H new ATOM 0 HB2 TYR A 91 5.581 11.197 -2.745 1.00 0.00 H new ATOM 0 HB3 TYR A 91 6.451 11.676 -1.301 1.00 0.00 H new ATOM 0 HD1 TYR A 91 7.099 8.782 -3.595 1.00 0.00 H new ATOM 0 HD2 TYR A 91 8.508 12.508 -2.080 1.00 0.00 H new ATOM 0 HE1 TYR A 91 9.232 8.451 -4.766 1.00 0.00 H new ATOM 0 HE2 TYR A 91 10.641 12.180 -3.256 1.00 0.00 H new ATOM 0 HH TYR A 91 11.846 10.877 -4.567 1.00 0.00 H new ATOM 1418 N THR A 92 6.260 10.141 1.014 1.00 0.00 N ATOM 1419 CA THR A 92 6.906 9.996 2.307 1.00 0.00 C ATOM 1420 C THR A 92 6.702 8.577 2.813 1.00 0.00 C ATOM 1421 O THR A 92 7.627 7.937 3.311 1.00 0.00 O ATOM 1422 CB THR A 92 6.328 10.987 3.310 1.00 0.00 C ATOM 1423 OG1 THR A 92 6.234 12.282 2.743 1.00 0.00 O ATOM 1424 CG2 THR A 92 7.143 11.098 4.580 1.00 0.00 C ATOM 0 H THR A 92 5.528 10.851 0.983 1.00 0.00 H new ATOM 0 HA THR A 92 7.971 10.200 2.195 1.00 0.00 H new ATOM 0 HB THR A 92 5.342 10.597 3.564 1.00 0.00 H new ATOM 0 HG1 THR A 92 5.859 12.902 3.403 1.00 0.00 H new ATOM 0 HG21 THR A 92 6.676 11.820 5.250 1.00 0.00 H new ATOM 0 HG22 THR A 92 7.188 10.125 5.069 1.00 0.00 H new ATOM 0 HG23 THR A 92 8.153 11.429 4.337 1.00 0.00 H new ATOM 1432 N LEU A 93 5.475 8.088 2.658 1.00 0.00 N ATOM 1433 CA LEU A 93 5.136 6.737 3.073 1.00 0.00 C ATOM 1434 C LEU A 93 5.946 5.738 2.272 1.00 0.00 C ATOM 1435 O LEU A 93 6.529 4.803 2.820 1.00 0.00 O ATOM 1436 CB LEU A 93 3.641 6.476 2.893 1.00 0.00 C ATOM 1437 CG LEU A 93 3.015 5.543 3.929 1.00 0.00 C ATOM 1438 CD1 LEU A 93 1.500 5.572 3.818 1.00 0.00 C ATOM 1439 CD2 LEU A 93 3.538 4.125 3.754 1.00 0.00 C ATOM 0 H LEU A 93 4.701 8.610 2.247 1.00 0.00 H new ATOM 0 HA LEU A 93 5.375 6.624 4.131 1.00 0.00 H new ATOM 0 HB2 LEU A 93 3.116 7.431 2.922 1.00 0.00 H new ATOM 0 HB3 LEU A 93 3.479 6.053 1.902 1.00 0.00 H new ATOM 0 HG LEU A 93 3.295 5.890 4.924 1.00 0.00 H new ATOM 0 HD11 LEU A 93 1.068 4.903 4.562 1.00 0.00 H new ATOM 0 HD12 LEU A 93 1.142 6.587 3.991 1.00 0.00 H new ATOM 0 HD13 LEU A 93 1.202 5.247 2.821 1.00 0.00 H new ATOM 0 HD21 LEU A 93 3.082 3.474 4.500 1.00 0.00 H new ATOM 0 HD22 LEU A 93 3.287 3.765 2.756 1.00 0.00 H new ATOM 0 HD23 LEU A 93 4.621 4.118 3.880 1.00 0.00 H new ATOM 1451 N LEU A 94 6.007 5.971 0.969 1.00 0.00 N ATOM 1452 CA LEU A 94 6.779 5.125 0.078 1.00 0.00 C ATOM 1453 C LEU A 94 8.229 5.089 0.552 1.00 0.00 C ATOM 1454 O LEU A 94 8.968 4.147 0.272 1.00 0.00 O ATOM 1455 CB LEU A 94 6.673 5.671 -1.360 1.00 0.00 C ATOM 1456 CG LEU A 94 7.917 5.541 -2.258 1.00 0.00 C ATOM 1457 CD1 LEU A 94 9.037 6.463 -1.791 1.00 0.00 C ATOM 1458 CD2 LEU A 94 8.393 4.096 -2.318 1.00 0.00 C ATOM 0 H LEU A 94 5.528 6.743 0.506 1.00 0.00 H new ATOM 0 HA LEU A 94 6.390 4.107 0.087 1.00 0.00 H new ATOM 0 HB2 LEU A 94 5.846 5.162 -1.854 1.00 0.00 H new ATOM 0 HB3 LEU A 94 6.408 6.727 -1.301 1.00 0.00 H new ATOM 0 HG LEU A 94 7.633 5.848 -3.265 1.00 0.00 H new ATOM 0 HD11 LEU A 94 9.901 6.347 -2.446 1.00 0.00 H new ATOM 0 HD12 LEU A 94 8.694 7.497 -1.823 1.00 0.00 H new ATOM 0 HD13 LEU A 94 9.319 6.205 -0.770 1.00 0.00 H new ATOM 0 HD21 LEU A 94 9.273 4.029 -2.958 1.00 0.00 H new ATOM 0 HD22 LEU A 94 8.648 3.755 -1.315 1.00 0.00 H new ATOM 0 HD23 LEU A 94 7.600 3.468 -2.724 1.00 0.00 H new ATOM 1470 N ASN A 95 8.623 6.126 1.285 1.00 0.00 N ATOM 1471 CA ASN A 95 9.985 6.220 1.797 1.00 0.00 C ATOM 1472 C ASN A 95 10.191 5.301 2.992 1.00 0.00 C ATOM 1473 O ASN A 95 10.947 4.332 2.920 1.00 0.00 O ATOM 1474 CB ASN A 95 10.306 7.662 2.184 1.00 0.00 C ATOM 1475 CG ASN A 95 11.796 7.906 2.322 1.00 0.00 C ATOM 1476 OD1 ASN A 95 12.548 7.017 2.723 1.00 0.00 O ATOM 1477 ND2 ASN A 95 12.231 9.115 1.992 1.00 0.00 N ATOM 0 H ASN A 95 8.021 6.910 1.537 1.00 0.00 H new ATOM 0 HA ASN A 95 10.663 5.902 1.005 1.00 0.00 H new ATOM 0 HB2 ASN A 95 9.898 8.337 1.431 1.00 0.00 H new ATOM 0 HB3 ASN A 95 9.813 7.901 3.126 1.00 0.00 H new ATOM 0 HD21 ASN A 95 13.224 9.338 2.066 1.00 0.00 H new ATOM 0 HD22 ASN A 95 11.573 9.822 1.664 1.00 0.00 H new ATOM 1484 N LYS A 96 9.521 5.615 4.092 1.00 0.00 N ATOM 1485 CA LYS A 96 9.637 4.818 5.305 1.00 0.00 C ATOM 1486 C LYS A 96 9.253 3.366 5.049 1.00 0.00 C ATOM 1487 O LYS A 96 9.854 2.451 5.608 1.00 0.00 O ATOM 1488 CB LYS A 96 8.760 5.406 6.412 1.00 0.00 C ATOM 1489 CG LYS A 96 9.248 6.752 6.922 1.00 0.00 C ATOM 1490 CD LYS A 96 10.234 6.591 8.070 1.00 0.00 C ATOM 1491 CE LYS A 96 11.575 7.230 7.750 1.00 0.00 C ATOM 1492 NZ LYS A 96 12.486 6.285 7.047 1.00 0.00 N ATOM 0 H LYS A 96 8.892 6.415 4.169 1.00 0.00 H new ATOM 0 HA LYS A 96 10.679 4.842 5.624 1.00 0.00 H new ATOM 0 HB2 LYS A 96 7.742 5.515 6.038 1.00 0.00 H new ATOM 0 HB3 LYS A 96 8.720 4.704 7.245 1.00 0.00 H new ATOM 0 HG2 LYS A 96 9.722 7.300 6.108 1.00 0.00 H new ATOM 0 HG3 LYS A 96 8.397 7.347 7.253 1.00 0.00 H new ATOM 0 HD2 LYS A 96 9.821 7.043 8.971 1.00 0.00 H new ATOM 0 HD3 LYS A 96 10.377 5.531 8.282 1.00 0.00 H new ATOM 0 HE2 LYS A 96 11.418 8.112 7.130 1.00 0.00 H new ATOM 0 HE3 LYS A 96 12.045 7.569 8.673 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 13.471 6.594 7.173 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 12.369 5.331 7.443 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 12.255 6.269 6.033 1.00 0.00 H new ATOM 1506 N ILE A 97 8.242 3.156 4.210 1.00 0.00 N ATOM 1507 CA ILE A 97 7.781 1.817 3.901 1.00 0.00 C ATOM 1508 C ILE A 97 8.833 1.009 3.150 1.00 0.00 C ATOM 1509 O ILE A 97 9.224 -0.072 3.586 1.00 0.00 O ATOM 1510 CB ILE A 97 6.466 1.866 3.105 1.00 0.00 C ATOM 1511 CG1 ILE A 97 5.720 0.553 3.222 1.00 0.00 C ATOM 1512 CG2 ILE A 97 6.680 2.208 1.638 1.00 0.00 C ATOM 1513 CD1 ILE A 97 4.418 0.580 2.474 1.00 0.00 C ATOM 0 H ILE A 97 7.730 3.900 3.735 1.00 0.00 H new ATOM 0 HA ILE A 97 7.599 1.311 4.849 1.00 0.00 H new ATOM 0 HB ILE A 97 5.869 2.666 3.543 1.00 0.00 H new ATOM 0 HG12 ILE A 97 6.343 -0.254 2.837 1.00 0.00 H new ATOM 0 HG13 ILE A 97 5.530 0.336 4.273 1.00 0.00 H new ATOM 0 HG21 ILE A 97 5.718 2.229 1.125 1.00 0.00 H new ATOM 0 HG22 ILE A 97 7.155 3.186 1.558 1.00 0.00 H new ATOM 0 HG23 ILE A 97 7.320 1.455 1.178 1.00 0.00 H new ATOM 0 HD11 ILE A 97 3.915 -0.381 2.584 1.00 0.00 H new ATOM 0 HD12 ILE A 97 3.784 1.370 2.876 1.00 0.00 H new ATOM 0 HD13 ILE A 97 4.609 0.771 1.418 1.00 0.00 H new ATOM 1525 N LEU A 98 9.293 1.532 2.025 1.00 0.00 N ATOM 1526 CA LEU A 98 10.305 0.843 1.235 1.00 0.00 C ATOM 1527 C LEU A 98 11.531 0.540 2.090 1.00 0.00 C ATOM 1528 O LEU A 98 12.001 -0.594 2.137 1.00 0.00 O ATOM 1529 CB LEU A 98 10.706 1.683 0.021 1.00 0.00 C ATOM 1530 CG LEU A 98 9.925 1.382 -1.260 1.00 0.00 C ATOM 1531 CD1 LEU A 98 10.396 0.073 -1.875 1.00 0.00 C ATOM 1532 CD2 LEU A 98 8.431 1.332 -0.977 1.00 0.00 C ATOM 0 H LEU A 98 8.986 2.425 1.639 1.00 0.00 H new ATOM 0 HA LEU A 98 9.881 -0.097 0.882 1.00 0.00 H new ATOM 0 HB2 LEU A 98 10.577 2.737 0.268 1.00 0.00 H new ATOM 0 HB3 LEU A 98 11.767 1.529 -0.174 1.00 0.00 H new ATOM 0 HG LEU A 98 10.112 2.185 -1.973 1.00 0.00 H new ATOM 0 HD11 LEU A 98 9.830 -0.126 -2.785 1.00 0.00 H new ATOM 0 HD12 LEU A 98 11.457 0.145 -2.116 1.00 0.00 H new ATOM 0 HD13 LEU A 98 10.239 -0.740 -1.166 1.00 0.00 H new ATOM 0 HD21 LEU A 98 7.893 1.117 -1.900 1.00 0.00 H new ATOM 0 HD22 LEU A 98 8.225 0.550 -0.246 1.00 0.00 H new ATOM 0 HD23 LEU A 98 8.103 2.293 -0.582 1.00 0.00 H new ATOM 1544 N ASP A 99 12.022 1.557 2.787 1.00 0.00 N ATOM 1545 CA ASP A 99 13.177 1.402 3.662 1.00 0.00 C ATOM 1546 C ASP A 99 12.856 0.420 4.777 1.00 0.00 C ATOM 1547 O ASP A 99 13.741 -0.224 5.339 1.00 0.00 O ATOM 1548 CB ASP A 99 13.585 2.756 4.251 1.00 0.00 C ATOM 1549 CG ASP A 99 14.985 3.169 3.835 1.00 0.00 C ATOM 1550 OD1 ASP A 99 15.953 2.734 4.494 1.00 0.00 O ATOM 1551 OD2 ASP A 99 15.111 3.928 2.851 1.00 0.00 O ATOM 0 H ASP A 99 11.637 2.501 2.763 1.00 0.00 H new ATOM 0 HA ASP A 99 14.010 1.013 3.077 1.00 0.00 H new ATOM 0 HB2 ASP A 99 12.874 3.518 3.931 1.00 0.00 H new ATOM 0 HB3 ASP A 99 13.531 2.707 5.339 1.00 0.00 H new ATOM 1556 N GLU A 100 11.572 0.325 5.086 1.00 0.00 N ATOM 1557 CA GLU A 100 11.089 -0.558 6.131 1.00 0.00 C ATOM 1558 C GLU A 100 11.102 -2.012 5.674 1.00 0.00 C ATOM 1559 O GLU A 100 11.631 -2.881 6.366 1.00 0.00 O ATOM 1560 CB GLU A 100 9.683 -0.131 6.544 1.00 0.00 C ATOM 1561 CG GLU A 100 9.001 -1.095 7.504 1.00 0.00 C ATOM 1562 CD GLU A 100 9.566 -1.016 8.908 1.00 0.00 C ATOM 1563 OE1 GLU A 100 10.124 0.043 9.265 1.00 0.00 O ATOM 1564 OE2 GLU A 100 9.450 -2.013 9.652 1.00 0.00 O ATOM 0 H GLU A 100 10.838 0.858 4.619 1.00 0.00 H new ATOM 0 HA GLU A 100 11.754 -0.483 6.991 1.00 0.00 H new ATOM 0 HB2 GLU A 100 9.735 0.853 7.009 1.00 0.00 H new ATOM 0 HB3 GLU A 100 9.068 -0.029 5.650 1.00 0.00 H new ATOM 0 HG2 GLU A 100 7.933 -0.878 7.533 1.00 0.00 H new ATOM 0 HG3 GLU A 100 9.110 -2.113 7.129 1.00 0.00 H new ATOM 1571 N TYR A 101 10.523 -2.277 4.506 1.00 0.00 N ATOM 1572 CA TYR A 101 10.489 -3.634 3.979 1.00 0.00 C ATOM 1573 C TYR A 101 11.903 -4.179 3.815 1.00 0.00 C ATOM 1574 O TYR A 101 12.137 -5.380 3.949 1.00 0.00 O ATOM 1575 CB TYR A 101 9.755 -3.692 2.640 1.00 0.00 C ATOM 1576 CG TYR A 101 9.358 -5.100 2.258 1.00 0.00 C ATOM 1577 CD1 TYR A 101 10.229 -5.918 1.550 1.00 0.00 C ATOM 1578 CD2 TYR A 101 8.122 -5.619 2.624 1.00 0.00 C ATOM 1579 CE1 TYR A 101 9.878 -7.212 1.215 1.00 0.00 C ATOM 1580 CE2 TYR A 101 7.766 -6.913 2.296 1.00 0.00 C ATOM 1581 CZ TYR A 101 8.648 -7.704 1.590 1.00 0.00 C ATOM 1582 OH TYR A 101 8.303 -8.995 1.261 1.00 0.00 O ATOM 0 H TYR A 101 10.076 -1.577 3.914 1.00 0.00 H new ATOM 0 HA TYR A 101 9.947 -4.252 4.695 1.00 0.00 H new ATOM 0 HB2 TYR A 101 8.863 -3.068 2.691 1.00 0.00 H new ATOM 0 HB3 TYR A 101 10.393 -3.274 1.861 1.00 0.00 H new ATOM 0 HD1 TYR A 101 11.196 -5.537 1.257 1.00 0.00 H new ATOM 0 HD2 TYR A 101 7.428 -5.001 3.174 1.00 0.00 H new ATOM 0 HE1 TYR A 101 10.565 -7.835 0.662 1.00 0.00 H new ATOM 0 HE2 TYR A 101 6.803 -7.303 2.591 1.00 0.00 H new ATOM 0 HH TYR A 101 7.695 -9.354 1.940 1.00 0.00 H new ATOM 1592 N LEU A 102 12.844 -3.284 3.522 1.00 0.00 N ATOM 1593 CA LEU A 102 14.238 -3.673 3.337 1.00 0.00 C ATOM 1594 C LEU A 102 14.926 -3.940 4.673 1.00 0.00 C ATOM 1595 O LEU A 102 15.814 -4.785 4.762 1.00 0.00 O ATOM 1596 CB LEU A 102 15.003 -2.590 2.574 1.00 0.00 C ATOM 1597 CG LEU A 102 14.251 -1.970 1.397 1.00 0.00 C ATOM 1598 CD1 LEU A 102 14.637 -0.507 1.227 1.00 0.00 C ATOM 1599 CD2 LEU A 102 14.524 -2.747 0.122 1.00 0.00 C ATOM 0 H LEU A 102 12.666 -2.286 3.408 1.00 0.00 H new ATOM 0 HA LEU A 102 14.243 -4.595 2.756 1.00 0.00 H new ATOM 0 HB2 LEU A 102 15.271 -1.797 3.272 1.00 0.00 H new ATOM 0 HB3 LEU A 102 15.935 -3.018 2.204 1.00 0.00 H new ATOM 0 HG LEU A 102 13.182 -2.020 1.606 1.00 0.00 H new ATOM 0 HD11 LEU A 102 14.092 -0.082 0.384 1.00 0.00 H new ATOM 0 HD12 LEU A 102 14.388 0.043 2.135 1.00 0.00 H new ATOM 0 HD13 LEU A 102 15.708 -0.433 1.040 1.00 0.00 H new ATOM 0 HD21 LEU A 102 13.980 -2.291 -0.705 1.00 0.00 H new ATOM 0 HD22 LEU A 102 15.593 -2.730 -0.093 1.00 0.00 H new ATOM 0 HD23 LEU A 102 14.196 -3.779 0.247 1.00 0.00 H new ATOM 1611 N VAL A 103 14.523 -3.210 5.708 1.00 0.00 N ATOM 1612 CA VAL A 103 15.122 -3.376 7.026 1.00 0.00 C ATOM 1613 C VAL A 103 14.788 -4.736 7.623 1.00 0.00 C ATOM 1614 O VAL A 103 15.670 -5.441 8.110 1.00 0.00 O ATOM 1615 CB VAL A 103 14.671 -2.279 8.008 1.00 0.00 C ATOM 1616 CG1 VAL A 103 14.858 -2.748 9.445 1.00 0.00 C ATOM 1617 CG2 VAL A 103 15.434 -0.985 7.755 1.00 0.00 C ATOM 0 H VAL A 103 13.789 -2.503 5.660 1.00 0.00 H new ATOM 0 HA VAL A 103 16.199 -3.298 6.880 1.00 0.00 H new ATOM 0 HB VAL A 103 13.611 -2.081 7.847 1.00 0.00 H new ATOM 0 HG11 VAL A 103 14.535 -1.963 10.129 1.00 0.00 H new ATOM 0 HG12 VAL A 103 14.263 -3.645 9.615 1.00 0.00 H new ATOM 0 HG13 VAL A 103 15.910 -2.972 9.621 1.00 0.00 H new ATOM 0 HG21 VAL A 103 15.101 -0.223 8.459 1.00 0.00 H new ATOM 0 HG22 VAL A 103 16.502 -1.160 7.888 1.00 0.00 H new ATOM 0 HG23 VAL A 103 15.246 -0.645 6.736 1.00 0.00 H new ATOM 1627 N ALA A 104 13.508 -5.099 7.586 1.00 0.00 N ATOM 1628 CA ALA A 104 13.063 -6.380 8.129 1.00 0.00 C ATOM 1629 C ALA A 104 13.971 -7.521 7.674 1.00 0.00 C ATOM 1630 O ALA A 104 13.999 -8.587 8.288 1.00 0.00 O ATOM 1631 CB ALA A 104 11.624 -6.653 7.715 1.00 0.00 C ATOM 0 H ALA A 104 12.763 -4.527 7.187 1.00 0.00 H new ATOM 0 HA ALA A 104 13.117 -6.323 9.216 1.00 0.00 H new ATOM 0 HB1 ALA A 104 11.303 -7.610 8.125 1.00 0.00 H new ATOM 0 HB2 ALA A 104 10.979 -5.861 8.095 1.00 0.00 H new ATOM 0 HB3 ALA A 104 11.558 -6.684 6.627 1.00 0.00 H new ATOM 1637 N HIS A 105 14.708 -7.287 6.593 1.00 0.00 N ATOM 1638 CA HIS A 105 15.612 -8.283 6.052 1.00 0.00 C ATOM 1639 C HIS A 105 16.431 -7.697 4.903 1.00 0.00 C ATOM 1640 O HIS A 105 15.872 -7.090 3.990 1.00 0.00 O ATOM 1641 CB HIS A 105 14.821 -9.495 5.556 1.00 0.00 C ATOM 1642 CG HIS A 105 13.584 -9.136 4.784 1.00 0.00 C ATOM 1643 ND1 HIS A 105 12.987 -7.937 4.559 1.00 0.00 N flip ATOM 1644 CD2 HIS A 105 12.807 -10.073 4.134 1.00 0.00 C flip ATOM 1645 CE1 HIS A 105 11.877 -8.174 3.787 1.00 0.00 C flip ATOM 1646 NE2 HIS A 105 11.791 -9.468 3.543 1.00 0.00 N flip ATOM 0 H HIS A 105 14.693 -6.409 6.075 1.00 0.00 H new ATOM 0 HA HIS A 105 16.293 -8.596 6.844 1.00 0.00 H new ATOM 0 HB2 HIS A 105 15.467 -10.106 4.925 1.00 0.00 H new ATOM 0 HB3 HIS A 105 14.539 -10.108 6.412 1.00 0.00 H new ATOM 0 HD2 HIS A 105 12.999 -11.136 4.112 1.00 0.00 H new ATOM 0 HE1 HIS A 105 11.185 -7.422 3.436 1.00 0.00 H new ATOM 0 HE2 HIS A 105 11.064 -9.924 2.992 1.00 0.00 H new ATOM 1655 N PRO A 106 17.771 -7.869 4.933 1.00 0.00 N ATOM 1656 CA PRO A 106 18.669 -7.359 3.895 1.00 0.00 C ATOM 1657 C PRO A 106 18.052 -7.394 2.496 1.00 0.00 C ATOM 1658 O PRO A 106 17.096 -8.125 2.239 1.00 0.00 O ATOM 1659 CB PRO A 106 19.863 -8.304 3.990 1.00 0.00 C ATOM 1660 CG PRO A 106 19.916 -8.715 5.426 1.00 0.00 C ATOM 1661 CD PRO A 106 18.518 -8.574 5.990 1.00 0.00 C ATOM 0 HA PRO A 106 18.917 -6.309 4.047 1.00 0.00 H new ATOM 0 HB2 PRO A 106 19.736 -9.167 3.337 1.00 0.00 H new ATOM 0 HB3 PRO A 106 20.785 -7.807 3.687 1.00 0.00 H new ATOM 0 HG2 PRO A 106 20.265 -9.744 5.518 1.00 0.00 H new ATOM 0 HG3 PRO A 106 20.617 -8.090 5.978 1.00 0.00 H new ATOM 0 HD2 PRO A 106 18.077 -9.546 6.208 1.00 0.00 H new ATOM 0 HD3 PRO A 106 18.520 -8.008 6.922 1.00 0.00 H new ATOM 1669 N LYS A 107 18.596 -6.571 1.607 1.00 0.00 N ATOM 1670 CA LYS A 107 18.100 -6.456 0.238 1.00 0.00 C ATOM 1671 C LYS A 107 17.832 -7.807 -0.434 1.00 0.00 C ATOM 1672 O LYS A 107 16.704 -8.102 -0.823 1.00 0.00 O ATOM 1673 CB LYS A 107 19.093 -5.657 -0.611 1.00 0.00 C ATOM 1674 CG LYS A 107 19.338 -4.247 -0.099 1.00 0.00 C ATOM 1675 CD LYS A 107 18.229 -3.299 -0.521 1.00 0.00 C ATOM 1676 CE LYS A 107 18.702 -1.854 -0.523 1.00 0.00 C ATOM 1677 NZ LYS A 107 18.446 -1.183 0.781 1.00 0.00 N ATOM 0 H LYS A 107 19.391 -5.966 1.813 1.00 0.00 H new ATOM 0 HA LYS A 107 17.142 -5.940 0.303 1.00 0.00 H new ATOM 0 HB2 LYS A 107 20.042 -6.192 -0.644 1.00 0.00 H new ATOM 0 HB3 LYS A 107 18.722 -5.603 -1.634 1.00 0.00 H new ATOM 0 HG2 LYS A 107 19.411 -4.262 0.988 1.00 0.00 H new ATOM 0 HG3 LYS A 107 20.293 -3.882 -0.478 1.00 0.00 H new ATOM 0 HD2 LYS A 107 17.877 -3.569 -1.517 1.00 0.00 H new ATOM 0 HD3 LYS A 107 17.381 -3.405 0.156 1.00 0.00 H new ATOM 0 HE2 LYS A 107 19.769 -1.822 -0.744 1.00 0.00 H new ATOM 0 HE3 LYS A 107 18.195 -1.307 -1.318 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 18.273 -0.170 0.622 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 17.613 -1.610 1.233 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 19.274 -1.300 1.400 1.00 0.00 H new ATOM 1691 N GLU A 108 18.875 -8.607 -0.607 1.00 0.00 N ATOM 1692 CA GLU A 108 18.745 -9.900 -1.280 1.00 0.00 C ATOM 1693 C GLU A 108 17.780 -10.850 -0.570 1.00 0.00 C ATOM 1694 O GLU A 108 17.188 -11.720 -1.208 1.00 0.00 O ATOM 1695 CB GLU A 108 20.115 -10.564 -1.416 1.00 0.00 C ATOM 1696 CG GLU A 108 21.148 -9.692 -2.112 1.00 0.00 C ATOM 1697 CD GLU A 108 22.538 -9.858 -1.530 1.00 0.00 C ATOM 1698 OE1 GLU A 108 23.022 -11.008 -1.467 1.00 0.00 O ATOM 1699 OE2 GLU A 108 23.142 -8.839 -1.136 1.00 0.00 O ATOM 0 H GLU A 108 19.820 -8.388 -0.293 1.00 0.00 H new ATOM 0 HA GLU A 108 18.327 -9.697 -2.266 1.00 0.00 H new ATOM 0 HB2 GLU A 108 20.482 -10.826 -0.424 1.00 0.00 H new ATOM 0 HB3 GLU A 108 20.004 -11.495 -1.971 1.00 0.00 H new ATOM 0 HG2 GLU A 108 21.171 -9.939 -3.173 1.00 0.00 H new ATOM 0 HG3 GLU A 108 20.848 -8.647 -2.034 1.00 0.00 H new ATOM 1706 N GLU A 109 17.631 -10.702 0.740 1.00 0.00 N ATOM 1707 CA GLU A 109 16.740 -11.578 1.502 1.00 0.00 C ATOM 1708 C GLU A 109 15.376 -11.703 0.839 1.00 0.00 C ATOM 1709 O GLU A 109 14.869 -12.808 0.650 1.00 0.00 O ATOM 1710 CB GLU A 109 16.576 -11.065 2.927 1.00 0.00 C ATOM 1711 CG GLU A 109 17.898 -10.805 3.618 1.00 0.00 C ATOM 1712 CD GLU A 109 18.090 -11.657 4.858 1.00 0.00 C ATOM 1713 OE1 GLU A 109 17.125 -11.797 5.638 1.00 0.00 O ATOM 1714 OE2 GLU A 109 19.208 -12.183 5.049 1.00 0.00 O ATOM 0 H GLU A 109 18.109 -9.992 1.296 1.00 0.00 H new ATOM 0 HA GLU A 109 17.198 -12.567 1.526 1.00 0.00 H new ATOM 0 HB2 GLU A 109 15.993 -10.144 2.911 1.00 0.00 H new ATOM 0 HB3 GLU A 109 16.007 -11.792 3.506 1.00 0.00 H new ATOM 0 HG2 GLU A 109 18.712 -10.999 2.920 1.00 0.00 H new ATOM 0 HG3 GLU A 109 17.958 -9.752 3.893 1.00 0.00 H new ATOM 1721 N TRP A 110 14.784 -10.570 0.479 1.00 0.00 N ATOM 1722 CA TRP A 110 13.483 -10.583 -0.170 1.00 0.00 C ATOM 1723 C TRP A 110 13.638 -10.839 -1.658 1.00 0.00 C ATOM 1724 O TRP A 110 12.894 -11.633 -2.233 1.00 0.00 O ATOM 1725 CB TRP A 110 12.724 -9.269 0.057 1.00 0.00 C ATOM 1726 CG TRP A 110 13.589 -8.043 0.115 1.00 0.00 C ATOM 1727 CD1 TRP A 110 14.019 -7.405 1.241 1.00 0.00 C ATOM 1728 CD2 TRP A 110 14.115 -7.295 -0.993 1.00 0.00 C ATOM 1729 NE1 TRP A 110 14.773 -6.309 0.904 1.00 0.00 N ATOM 1730 CE2 TRP A 110 14.847 -6.219 -0.461 1.00 0.00 C ATOM 1731 CE3 TRP A 110 14.041 -7.431 -2.382 1.00 0.00 C ATOM 1732 CZ2 TRP A 110 15.495 -5.286 -1.267 1.00 0.00 C ATOM 1733 CZ3 TRP A 110 14.685 -6.504 -3.180 1.00 0.00 C ATOM 1734 CH2 TRP A 110 15.403 -5.443 -2.620 1.00 0.00 C ATOM 0 H TRP A 110 15.181 -9.642 0.624 1.00 0.00 H new ATOM 0 HA TRP A 110 12.902 -11.389 0.277 1.00 0.00 H new ATOM 0 HB2 TRP A 110 11.995 -9.144 -0.744 1.00 0.00 H new ATOM 0 HB3 TRP A 110 12.164 -9.346 0.989 1.00 0.00 H new ATOM 0 HD1 TRP A 110 13.798 -7.717 2.251 1.00 0.00 H new ATOM 0 HE1 TRP A 110 15.208 -5.665 1.564 1.00 0.00 H new ATOM 0 HE3 TRP A 110 13.490 -8.247 -2.825 1.00 0.00 H new ATOM 0 HZ2 TRP A 110 16.051 -4.466 -0.836 1.00 0.00 H new ATOM 0 HZ3 TRP A 110 14.633 -6.601 -4.254 1.00 0.00 H new ATOM 0 HH2 TRP A 110 15.894 -4.734 -3.270 1.00 0.00 H new ATOM 1745 N ALA A 111 14.613 -10.159 -2.267 1.00 0.00 N ATOM 1746 CA ALA A 111 14.891 -10.290 -3.701 1.00 0.00 C ATOM 1747 C ALA A 111 13.682 -10.827 -4.462 1.00 0.00 C ATOM 1748 O ALA A 111 13.783 -11.803 -5.205 1.00 0.00 O ATOM 1749 CB ALA A 111 16.094 -11.193 -3.920 1.00 0.00 C ATOM 0 H ALA A 111 15.229 -9.505 -1.784 1.00 0.00 H new ATOM 0 HA ALA A 111 15.112 -9.296 -4.090 1.00 0.00 H new ATOM 0 HB1 ALA A 111 16.291 -11.283 -4.988 1.00 0.00 H new ATOM 0 HB2 ALA A 111 16.965 -10.765 -3.425 1.00 0.00 H new ATOM 0 HB3 ALA A 111 15.889 -12.180 -3.504 1.00 0.00 H new ATOM 1755 N ASP A 112 12.533 -10.196 -4.241 1.00 0.00 N ATOM 1756 CA ASP A 112 11.287 -10.618 -4.869 1.00 0.00 C ATOM 1757 C ASP A 112 10.767 -11.858 -4.176 1.00 0.00 C ATOM 1758 O ASP A 112 10.883 -12.972 -4.690 1.00 0.00 O ATOM 1759 CB ASP A 112 11.475 -10.903 -6.356 1.00 0.00 C ATOM 1760 CG ASP A 112 12.315 -9.851 -7.052 1.00 0.00 C ATOM 1761 OD1 ASP A 112 13.553 -10.008 -7.088 1.00 0.00 O ATOM 1762 OD2 ASP A 112 11.734 -8.870 -7.562 1.00 0.00 O ATOM 0 H ASP A 112 12.440 -9.386 -3.628 1.00 0.00 H new ATOM 0 HA ASP A 112 10.568 -9.805 -4.772 1.00 0.00 H new ATOM 0 HB2 ASP A 112 11.947 -11.878 -6.478 1.00 0.00 H new ATOM 0 HB3 ASP A 112 10.499 -10.959 -6.837 1.00 0.00 H new ATOM 1767 N VAL A 113 10.202 -11.659 -3.003 1.00 0.00 N ATOM 1768 CA VAL A 113 9.672 -12.752 -2.226 1.00 0.00 C ATOM 1769 C VAL A 113 8.509 -13.417 -2.935 1.00 0.00 C ATOM 1770 O VAL A 113 7.688 -12.752 -3.561 1.00 0.00 O ATOM 1771 CB VAL A 113 9.193 -12.276 -0.852 1.00 0.00 C ATOM 1772 CG1 VAL A 113 8.939 -13.468 0.045 1.00 0.00 C ATOM 1773 CG2 VAL A 113 10.204 -11.329 -0.225 1.00 0.00 C ATOM 0 H VAL A 113 10.099 -10.742 -2.567 1.00 0.00 H new ATOM 0 HA VAL A 113 10.483 -13.469 -2.102 1.00 0.00 H new ATOM 0 HB VAL A 113 8.259 -11.727 -0.976 1.00 0.00 H new ATOM 0 HG11 VAL A 113 8.598 -13.123 1.021 1.00 0.00 H new ATOM 0 HG12 VAL A 113 8.175 -14.103 -0.402 1.00 0.00 H new ATOM 0 HG13 VAL A 113 9.861 -14.038 0.163 1.00 0.00 H new ATOM 0 HG21 VAL A 113 9.842 -11.004 0.750 1.00 0.00 H new ATOM 0 HG22 VAL A 113 11.158 -11.842 -0.105 1.00 0.00 H new ATOM 0 HG23 VAL A 113 10.338 -10.461 -0.870 1.00 0.00 H new ATOM 1920 N LYS A 123 4.886 -3.255 10.498 1.00 0.00 N ATOM 1921 CA LYS A 123 4.026 -2.414 11.324 1.00 0.00 C ATOM 1922 C LYS A 123 4.089 -0.964 10.852 1.00 0.00 C ATOM 1923 O LYS A 123 3.160 -0.188 11.069 1.00 0.00 O ATOM 1924 CB LYS A 123 4.446 -2.506 12.793 1.00 0.00 C ATOM 1925 CG LYS A 123 3.611 -1.640 13.721 1.00 0.00 C ATOM 1926 CD LYS A 123 3.408 -2.307 15.072 1.00 0.00 C ATOM 1927 CE LYS A 123 2.123 -3.117 15.105 1.00 0.00 C ATOM 1928 NZ LYS A 123 1.455 -3.046 16.434 1.00 0.00 N ATOM 0 HA LYS A 123 3.000 -2.770 11.228 1.00 0.00 H new ATOM 0 HB2 LYS A 123 4.376 -3.544 13.118 1.00 0.00 H new ATOM 0 HB3 LYS A 123 5.493 -2.214 12.882 1.00 0.00 H new ATOM 0 HG2 LYS A 123 4.101 -0.676 13.860 1.00 0.00 H new ATOM 0 HG3 LYS A 123 2.642 -1.442 13.262 1.00 0.00 H new ATOM 0 HD2 LYS A 123 4.255 -2.958 15.289 1.00 0.00 H new ATOM 0 HD3 LYS A 123 3.381 -1.548 15.854 1.00 0.00 H new ATOM 0 HE2 LYS A 123 1.443 -2.750 14.337 1.00 0.00 H new ATOM 0 HE3 LYS A 123 2.343 -4.157 14.865 1.00 0.00 H new ATOM 0 HZ1 LYS A 123 0.582 -3.612 16.415 1.00 0.00 H new ATOM 0 HZ2 LYS A 123 2.094 -3.420 17.164 1.00 0.00 H new ATOM 0 HZ3 LYS A 123 1.221 -2.056 16.653 1.00 0.00 H new ATOM 1942 N GLN A 124 5.192 -0.610 10.195 1.00 0.00 N ATOM 1943 CA GLN A 124 5.384 0.738 9.675 1.00 0.00 C ATOM 1944 C GLN A 124 4.214 1.154 8.796 1.00 0.00 C ATOM 1945 O GLN A 124 3.417 2.018 9.164 1.00 0.00 O ATOM 1946 CB GLN A 124 6.676 0.799 8.870 1.00 0.00 C ATOM 1947 CG GLN A 124 7.516 2.033 9.156 1.00 0.00 C ATOM 1948 CD GLN A 124 8.059 2.054 10.572 1.00 0.00 C ATOM 1949 OE1 GLN A 124 8.272 1.007 11.183 1.00 0.00 O ATOM 1950 NE2 GLN A 124 8.285 3.250 11.100 1.00 0.00 N ATOM 0 H GLN A 124 5.969 -1.244 10.011 1.00 0.00 H new ATOM 0 HA GLN A 124 5.443 1.426 10.518 1.00 0.00 H new ATOM 0 HB2 GLN A 124 7.269 -0.091 9.083 1.00 0.00 H new ATOM 0 HB3 GLN A 124 6.433 0.774 7.808 1.00 0.00 H new ATOM 0 HG2 GLN A 124 8.347 2.074 8.452 1.00 0.00 H new ATOM 0 HG3 GLN A 124 6.913 2.925 8.989 1.00 0.00 H new ATOM 0 HE21 GLN A 124 8.094 4.092 10.557 1.00 0.00 H new ATOM 0 HE22 GLN A 124 8.650 3.328 12.049 1.00 0.00 H new ATOM 1959 N LEU A 125 4.121 0.526 7.629 1.00 0.00 N ATOM 1960 CA LEU A 125 3.054 0.817 6.687 1.00 0.00 C ATOM 1961 C LEU A 125 1.703 0.705 7.366 1.00 0.00 C ATOM 1962 O LEU A 125 0.788 1.470 7.070 1.00 0.00 O ATOM 1963 CB LEU A 125 3.118 -0.137 5.488 1.00 0.00 C ATOM 1964 CG LEU A 125 2.628 -1.564 5.752 1.00 0.00 C ATOM 1965 CD1 LEU A 125 1.110 -1.641 5.662 1.00 0.00 C ATOM 1966 CD2 LEU A 125 3.267 -2.536 4.770 1.00 0.00 C ATOM 0 H LEU A 125 4.776 -0.190 7.315 1.00 0.00 H new ATOM 0 HA LEU A 125 3.185 1.838 6.329 1.00 0.00 H new ATOM 0 HB2 LEU A 125 2.526 0.287 4.677 1.00 0.00 H new ATOM 0 HB3 LEU A 125 4.149 -0.185 5.139 1.00 0.00 H new ATOM 0 HG LEU A 125 2.925 -1.844 6.763 1.00 0.00 H new ATOM 0 HD11 LEU A 125 0.786 -2.664 5.853 1.00 0.00 H new ATOM 0 HD12 LEU A 125 0.667 -0.975 6.403 1.00 0.00 H new ATOM 0 HD13 LEU A 125 0.789 -1.339 4.665 1.00 0.00 H new ATOM 0 HD21 LEU A 125 2.908 -3.545 4.971 1.00 0.00 H new ATOM 0 HD22 LEU A 125 3.000 -2.253 3.752 1.00 0.00 H new ATOM 0 HD23 LEU A 125 4.351 -2.507 4.883 1.00 0.00 H new ATOM 1978 N ASP A 126 1.582 -0.256 8.278 1.00 0.00 N ATOM 1979 CA ASP A 126 0.320 -0.453 8.990 1.00 0.00 C ATOM 1980 C ASP A 126 -0.052 0.793 9.786 1.00 0.00 C ATOM 1981 O ASP A 126 -1.112 1.387 9.579 1.00 0.00 O ATOM 1982 CB ASP A 126 0.405 -1.658 9.926 1.00 0.00 C ATOM 1983 CG ASP A 126 0.662 -2.952 9.181 1.00 0.00 C ATOM 1984 OD1 ASP A 126 1.614 -2.992 8.377 1.00 0.00 O ATOM 1985 OD2 ASP A 126 -0.089 -3.925 9.404 1.00 0.00 O ATOM 0 H ASP A 126 2.328 -0.901 8.539 1.00 0.00 H new ATOM 0 HA ASP A 126 -0.455 -0.641 8.246 1.00 0.00 H new ATOM 0 HB2 ASP A 126 1.202 -1.495 10.652 1.00 0.00 H new ATOM 0 HB3 ASP A 126 -0.525 -1.744 10.488 1.00 0.00 H new ATOM 1990 N THR A 127 0.833 1.186 10.692 1.00 0.00 N ATOM 1991 CA THR A 127 0.615 2.362 11.520 1.00 0.00 C ATOM 1992 C THR A 127 0.529 3.617 10.660 1.00 0.00 C ATOM 1993 O THR A 127 -0.111 4.597 11.038 1.00 0.00 O ATOM 1994 CB THR A 127 1.742 2.507 12.544 1.00 0.00 C ATOM 1995 OG1 THR A 127 1.855 1.336 13.333 1.00 0.00 O ATOM 1996 CG2 THR A 127 1.552 3.678 13.482 1.00 0.00 C ATOM 0 H THR A 127 1.713 0.704 10.872 1.00 0.00 H new ATOM 0 HA THR A 127 -0.330 2.237 12.048 1.00 0.00 H new ATOM 0 HB THR A 127 2.645 2.677 11.958 1.00 0.00 H new ATOM 0 HG1 THR A 127 2.276 0.625 12.805 1.00 0.00 H new ATOM 0 HG21 THR A 127 2.386 3.723 14.182 1.00 0.00 H new ATOM 0 HG22 THR A 127 1.512 4.603 12.906 1.00 0.00 H new ATOM 0 HG23 THR A 127 0.621 3.554 14.035 1.00 0.00 H new ATOM 2004 N TYR A 128 1.187 3.585 9.506 1.00 0.00 N ATOM 2005 CA TYR A 128 1.189 4.723 8.602 1.00 0.00 C ATOM 2006 C TYR A 128 -0.162 4.879 7.915 1.00 0.00 C ATOM 2007 O TYR A 128 -0.730 5.967 7.897 1.00 0.00 O ATOM 2008 CB TYR A 128 2.299 4.574 7.558 1.00 0.00 C ATOM 2009 CG TYR A 128 3.592 5.246 7.961 1.00 0.00 C ATOM 2010 CD1 TYR A 128 3.592 6.534 8.483 1.00 0.00 C ATOM 2011 CD2 TYR A 128 4.810 4.593 7.825 1.00 0.00 C ATOM 2012 CE1 TYR A 128 4.769 7.153 8.855 1.00 0.00 C ATOM 2013 CE2 TYR A 128 5.992 5.205 8.197 1.00 0.00 C ATOM 2014 CZ TYR A 128 5.967 6.484 8.711 1.00 0.00 C ATOM 2015 OH TYR A 128 7.142 7.097 9.084 1.00 0.00 O ATOM 0 H TYR A 128 1.725 2.783 9.177 1.00 0.00 H new ATOM 0 HA TYR A 128 1.377 5.620 9.191 1.00 0.00 H new ATOM 0 HB2 TYR A 128 2.487 3.514 7.386 1.00 0.00 H new ATOM 0 HB3 TYR A 128 1.958 4.995 6.612 1.00 0.00 H new ATOM 0 HD1 TYR A 128 2.656 7.060 8.600 1.00 0.00 H new ATOM 0 HD2 TYR A 128 4.834 3.591 7.422 1.00 0.00 H new ATOM 0 HE1 TYR A 128 4.752 8.155 9.257 1.00 0.00 H new ATOM 0 HE2 TYR A 128 6.931 4.684 8.086 1.00 0.00 H new ATOM 0 HH TYR A 128 7.785 6.419 9.379 1.00 0.00 H new ATOM 2025 N ILE A 129 -0.671 3.787 7.354 1.00 0.00 N ATOM 2026 CA ILE A 129 -1.950 3.809 6.665 1.00 0.00 C ATOM 2027 C ILE A 129 -3.087 4.199 7.605 1.00 0.00 C ATOM 2028 O ILE A 129 -4.048 4.845 7.189 1.00 0.00 O ATOM 2029 CB ILE A 129 -2.252 2.443 6.027 1.00 0.00 C ATOM 2030 CG1 ILE A 129 -3.603 2.488 5.304 1.00 0.00 C ATOM 2031 CG2 ILE A 129 -2.225 1.340 7.076 1.00 0.00 C ATOM 2032 CD1 ILE A 129 -4.697 1.755 6.033 1.00 0.00 C ATOM 0 H ILE A 129 -0.214 2.875 7.365 1.00 0.00 H new ATOM 0 HA ILE A 129 -1.879 4.562 5.880 1.00 0.00 H new ATOM 0 HB ILE A 129 -1.478 2.219 5.293 1.00 0.00 H new ATOM 0 HG12 ILE A 129 -3.900 3.528 5.170 1.00 0.00 H new ATOM 0 HG13 ILE A 129 -3.488 2.058 4.309 1.00 0.00 H new ATOM 0 HG21 ILE A 129 -2.441 0.382 6.603 1.00 0.00 H new ATOM 0 HG22 ILE A 129 -1.239 1.302 7.538 1.00 0.00 H new ATOM 0 HG23 ILE A 129 -2.976 1.545 7.839 1.00 0.00 H new ATOM 0 HD11 ILE A 129 -5.625 1.828 5.465 1.00 0.00 H new ATOM 0 HD12 ILE A 129 -4.421 0.706 6.144 1.00 0.00 H new ATOM 0 HD13 ILE A 129 -4.839 2.199 7.018 1.00 0.00 H new ATOM 2044 N SER A 130 -2.975 3.810 8.870 1.00 0.00 N ATOM 2045 CA SER A 130 -4.002 4.133 9.851 1.00 0.00 C ATOM 2046 C SER A 130 -3.918 5.602 10.243 1.00 0.00 C ATOM 2047 O SER A 130 -4.933 6.270 10.428 1.00 0.00 O ATOM 2048 CB SER A 130 -3.849 3.250 11.090 1.00 0.00 C ATOM 2049 OG SER A 130 -4.566 3.783 12.190 1.00 0.00 O ATOM 0 H SER A 130 -2.189 3.274 9.238 1.00 0.00 H new ATOM 0 HA SER A 130 -4.978 3.945 9.404 1.00 0.00 H new ATOM 0 HB2 SER A 130 -4.209 2.245 10.870 1.00 0.00 H new ATOM 0 HB3 SER A 130 -2.794 3.161 11.349 1.00 0.00 H new ATOM 0 HG SER A 130 -4.466 3.190 12.964 1.00 0.00 H new ATOM 2055 N LYS A 131 -2.693 6.095 10.365 1.00 0.00 N ATOM 2056 CA LYS A 131 -2.451 7.485 10.730 1.00 0.00 C ATOM 2057 C LYS A 131 -2.505 8.400 9.507 1.00 0.00 C ATOM 2058 O LYS A 131 -2.605 9.618 9.639 1.00 0.00 O ATOM 2059 CB LYS A 131 -1.091 7.614 11.421 1.00 0.00 C ATOM 2060 CG LYS A 131 -1.087 7.150 12.872 1.00 0.00 C ATOM 2061 CD LYS A 131 -1.992 5.945 13.089 1.00 0.00 C ATOM 2062 CE LYS A 131 -1.782 5.330 14.463 1.00 0.00 C ATOM 2063 NZ LYS A 131 -2.730 4.211 14.723 1.00 0.00 N ATOM 0 H LYS A 131 -1.845 5.548 10.215 1.00 0.00 H new ATOM 0 HA LYS A 131 -3.238 7.795 11.417 1.00 0.00 H new ATOM 0 HB2 LYS A 131 -0.355 7.035 10.863 1.00 0.00 H new ATOM 0 HB3 LYS A 131 -0.773 8.656 11.382 1.00 0.00 H new ATOM 0 HG2 LYS A 131 -0.069 6.897 13.169 1.00 0.00 H new ATOM 0 HG3 LYS A 131 -1.412 7.968 13.515 1.00 0.00 H new ATOM 0 HD2 LYS A 131 -3.034 6.247 12.980 1.00 0.00 H new ATOM 0 HD3 LYS A 131 -1.795 5.197 12.321 1.00 0.00 H new ATOM 0 HE2 LYS A 131 -0.758 4.964 14.544 1.00 0.00 H new ATOM 0 HE3 LYS A 131 -1.908 6.097 15.227 1.00 0.00 H new ATOM 0 HZ1 LYS A 131 -2.836 4.077 15.749 1.00 0.00 H new ATOM 0 HZ2 LYS A 131 -3.655 4.436 14.305 1.00 0.00 H new ATOM 0 HZ3 LYS A 131 -2.361 3.337 14.297 1.00 0.00 H new ATOM 2077 N TYR A 132 -2.406 7.812 8.320 1.00 0.00 N ATOM 2078 CA TYR A 132 -2.419 8.585 7.082 1.00 0.00 C ATOM 2079 C TYR A 132 -3.825 8.965 6.632 1.00 0.00 C ATOM 2080 O TYR A 132 -3.982 9.801 5.741 1.00 0.00 O ATOM 2081 CB TYR A 132 -1.678 7.847 5.969 1.00 0.00 C ATOM 2082 CG TYR A 132 -0.283 8.389 5.745 1.00 0.00 C ATOM 2083 CD1 TYR A 132 -0.093 9.689 5.294 1.00 0.00 C ATOM 2084 CD2 TYR A 132 0.840 7.611 5.998 1.00 0.00 C ATOM 2085 CE1 TYR A 132 1.175 10.198 5.100 1.00 0.00 C ATOM 2086 CE2 TYR A 132 2.112 8.114 5.804 1.00 0.00 C ATOM 2087 CZ TYR A 132 2.275 9.407 5.356 1.00 0.00 C ATOM 2088 OH TYR A 132 3.542 9.911 5.164 1.00 0.00 O ATOM 0 H TYR A 132 -2.316 6.805 8.188 1.00 0.00 H new ATOM 0 HA TYR A 132 -1.896 9.517 7.297 1.00 0.00 H new ATOM 0 HB2 TYR A 132 -1.617 6.787 6.217 1.00 0.00 H new ATOM 0 HB3 TYR A 132 -2.248 7.925 5.043 1.00 0.00 H new ATOM 0 HD1 TYR A 132 -0.952 10.312 5.092 1.00 0.00 H new ATOM 0 HD2 TYR A 132 0.717 6.598 6.352 1.00 0.00 H new ATOM 0 HE1 TYR A 132 1.305 11.211 4.749 1.00 0.00 H new ATOM 0 HE2 TYR A 132 2.975 7.496 6.003 1.00 0.00 H new ATOM 0 HH TYR A 132 4.205 9.226 5.391 1.00 0.00 H new ATOM 2098 N GLN A 133 -4.843 8.361 7.229 1.00 0.00 N ATOM 2099 CA GLN A 133 -6.225 8.661 6.860 1.00 0.00 C ATOM 2100 C GLN A 133 -6.629 10.073 7.301 1.00 0.00 C ATOM 2101 O GLN A 133 -7.640 10.259 7.978 1.00 0.00 O ATOM 2102 CB GLN A 133 -7.166 7.626 7.469 1.00 0.00 C ATOM 2103 CG GLN A 133 -6.928 7.374 8.947 1.00 0.00 C ATOM 2104 CD GLN A 133 -8.142 7.683 9.800 1.00 0.00 C ATOM 2105 OE1 GLN A 133 -9.280 7.557 9.348 1.00 0.00 O ATOM 2106 NE2 GLN A 133 -7.906 8.089 11.042 1.00 0.00 N ATOM 0 H GLN A 133 -4.742 7.664 7.967 1.00 0.00 H new ATOM 0 HA GLN A 133 -6.301 8.618 5.773 1.00 0.00 H new ATOM 0 HB2 GLN A 133 -8.195 7.957 7.328 1.00 0.00 H new ATOM 0 HB3 GLN A 133 -7.056 6.686 6.928 1.00 0.00 H new ATOM 0 HG2 GLN A 133 -6.644 6.332 9.092 1.00 0.00 H new ATOM 0 HG3 GLN A 133 -6.089 7.983 9.284 1.00 0.00 H new ATOM 0 HE21 GLN A 133 -6.946 8.179 11.375 1.00 0.00 H new ATOM 0 HE22 GLN A 133 -8.684 8.310 11.663 1.00 0.00 H new