USER MOD reduce.3.24.130724 H: found=0, std=0, add=803, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 804 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 148 TYR OH : rot 130:sc= 0.975 USER MOD Set 1.2: A 198 THR OG1 : rot 127:sc= 1.15 USER MOD Set 2.1: A 187 THR OG1 : rot 35:sc= 0.264 USER MOD Set 2.2: A 191 THR OG1 : rot 25:sc= -3.13! USER MOD Set 2.3: A 205 MET CE :methyl 146:sc= -2.83! (180deg=-6.06!) USER MOD Set 3.1: A 176 HIS : no HE2:sc= 0.98 K(o=0.87,f=-5.8!) USER MOD Set 3.2: A 180 ASN : amide:sc= -0.114 K(o=0.87,f=-0.01) USER MOD Set 4.1: A 133 MET CE :methyl -103:sc= -5.74! (180deg=-9.21!) USER MOD Set 4.2: A 156 TYR OH : rot -118:sc= -6.74! USER MOD Set 4.3: A 212 MET CE :methyl -115:sc= -6.98! (180deg=-5.3!) USER MOD Set 5.1: A 131 SER OG : rot 170:sc= 1.25 USER MOD Set 5.2: A 216 GLN : amide:sc= 0.0569 K(o=1.3,f=-1.9!) USER MOD Set 6.1: A 128 MET CE :methyl 172:sc= -3.71! (180deg=-4.01!) USER MOD Set 6.2: A 162 TYR OH : rot -126:sc= -1.88! USER MOD Single : A 127 TYR OH : rot 180:sc= 0 USER MOD Single : A 134 SER OG : rot 180:sc= 0 USER MOD Single : A 139 HIS : no HD1:sc= -3.37! K(o=-3.4!,f=-2.2) USER MOD Single : A 142 ASN : amide:sc= -1.78 K(o=-1.8,f=-3.4!) USER MOD Single : A 144 TYR OH : rot 180:sc= 0 USER MOD Single : A 149 TYR OH : rot -140:sc= -1.04! USER MOD Single : A 152 ASN : amide:sc= -8.18! C(o=-8.2!,f=-13!) USER MOD Single : A 153 MET CE :methyl 166:sc= -12.1! (180deg=-14!) USER MOD Single : A 154 TYR OH : rot 180:sc= 0.0013 USER MOD Single : A 158 ASN : amide:sc= -1.55 X(o=-1.5,f=-1.5) USER MOD Single : A 159 GLN : amide:sc= -4.03! K(o=-4!,f=-2.7) USER MOD Single : A 161 TYR OH : rot 180:sc= 0 USER MOD Single : A 167 GLN : amide:sc= -4.36! C(o=-4.4!,f=-1.3!) USER MOD Single : A 168 TYR OH : rot 30:sc= 0.261 USER MOD Single : A 169 SER OG : rot 180:sc= 0 USER MOD Single : A 170 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 171 GLN : amide:sc= -4.8! K(o=-4.8!,f=-0.044) USER MOD Single : A 172 ASN : amide:sc= -0.671 K(o=-0.67,f=-6.7!) USER MOD Single : A 173 SER OG : rot 180:sc= 0 USER MOD Single : A 182 THR OG1 : rot 75:sc= -3.9! USER MOD Single : A 184 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 185 GLN : amide:sc= 0.117 K(o=0.12,f=-0.45) USER MOD Single : A 186 HIS : no HE2:sc= -3.01! C(o=-3!,f=-6!) USER MOD Single : A 189 THR OG1 : rot 6:sc= 0.506 USER MOD Single : A 190 THR OG1 : rot 111:sc= 1.29 USER MOD Single : A 192 THR OG1 : rot 80:sc= -2.76! USER MOD Single : A 193 LYS NZ :NH3+ -142:sc= 0.128 (180deg=-0.286) USER MOD Single : A 196 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 200 THR OG1 : rot 180:sc= 0 USER MOD Single : A 203 LYS NZ :NH3+ 175:sc= 0.563 (180deg=0.554) USER MOD Single : A 211 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 215 THR OG1 : rot 46:sc= 1.09 USER MOD Single : A 217 TYR OH : rot -170:sc= 0.935 USER MOD Single : A 218 GLN : amide:sc= -0.92 K(o=-0.92,f=0) USER MOD Single : A 219 GLN : amide:sc= 0 K(o=0,f=-0.73) USER MOD Single : A 221 SER OG : rot 40:sc= 1.31 USER MOD Single : A 222 GLN : amide:sc= -1.45! K(o=-1.4!,f=-0.0088) USER MOD Single : A 225 TYR OH : rot 180:sc= 0 USER MOD Single : A 226 GLN : amide:sc= -0.0511 X(o=-0.051,f=-0.14) USER MOD ----------------------------------------------------------------- ATOM 34 N TYR A 127 -10.130 9.721 -5.480 1.00 0.61 N ATOM 35 CA TYR A 127 -8.765 9.579 -4.985 1.00 0.44 C ATOM 36 C TYR A 127 -7.767 9.582 -6.128 1.00 0.45 C ATOM 37 O TYR A 127 -8.061 9.183 -7.256 1.00 0.71 O ATOM 38 CB TYR A 127 -8.593 8.328 -4.099 1.00 0.37 C ATOM 39 CG TYR A 127 -9.044 8.556 -2.673 1.00 0.46 C ATOM 40 CD1 TYR A 127 -8.853 9.777 -2.045 1.00 1.26 C ATOM 41 CD2 TYR A 127 -9.658 7.538 -1.951 1.00 0.86 C ATOM 42 CE1 TYR A 127 -9.261 9.981 -0.741 1.00 1.38 C ATOM 43 CE2 TYR A 127 -10.066 7.734 -0.648 1.00 0.92 C ATOM 44 CZ TYR A 127 -9.882 8.997 -0.061 1.00 0.78 C ATOM 45 OH TYR A 127 -10.263 9.143 1.251 1.00 0.96 O ATOM 0 HA TYR A 127 -8.563 10.445 -4.355 1.00 0.44 H new ATOM 0 HB2 TYR A 127 -9.162 7.503 -4.528 1.00 0.37 H new ATOM 0 HB3 TYR A 127 -7.545 8.028 -4.101 1.00 0.37 H new ATOM 0 HD1 TYR A 127 -8.377 10.583 -2.584 1.00 1.26 H new ATOM 0 HD2 TYR A 127 -9.818 6.578 -2.419 1.00 0.86 H new ATOM 0 HE1 TYR A 127 -9.081 10.933 -0.264 1.00 1.38 H new ATOM 0 HE2 TYR A 127 -10.520 6.930 -0.088 1.00 0.92 H new ATOM 0 HH TYR A 127 -10.696 8.320 1.559 1.00 0.96 H new ATOM 55 N MET A 128 -6.585 10.039 -5.832 1.00 0.38 N ATOM 56 CA MET A 128 -5.553 10.134 -6.814 1.00 0.41 C ATOM 57 C MET A 128 -4.673 8.946 -6.572 1.00 0.42 C ATOM 58 O MET A 128 -4.053 8.819 -5.520 1.00 0.43 O ATOM 59 CB MET A 128 -4.858 11.509 -6.685 1.00 0.46 C ATOM 60 CG MET A 128 -3.663 11.569 -5.756 1.00 0.45 C ATOM 61 SD MET A 128 -2.135 11.071 -6.556 1.00 0.52 S ATOM 62 CE MET A 128 -1.283 10.440 -5.126 1.00 0.46 C ATOM 0 H MET A 128 -6.313 10.356 -4.901 1.00 0.38 H new ATOM 0 HA MET A 128 -5.901 10.101 -7.847 1.00 0.41 H new ATOM 0 HB2 MET A 128 -4.537 11.825 -7.677 1.00 0.46 H new ATOM 0 HB3 MET A 128 -5.595 12.235 -6.342 1.00 0.46 H new ATOM 0 HG2 MET A 128 -3.555 12.585 -5.376 1.00 0.45 H new ATOM 0 HG3 MET A 128 -3.844 10.925 -4.896 1.00 0.45 H new ATOM 0 HE1 MET A 128 -0.361 9.950 -5.439 1.00 0.46 H new ATOM 0 HE2 MET A 128 -1.046 11.263 -4.451 1.00 0.46 H new ATOM 0 HE3 MET A 128 -1.920 9.721 -4.611 1.00 0.46 H new ATOM 72 N LEU A 129 -4.733 7.997 -7.483 1.00 0.57 N ATOM 73 CA LEU A 129 -4.085 6.745 -7.241 1.00 0.66 C ATOM 74 C LEU A 129 -2.641 7.013 -6.927 1.00 0.56 C ATOM 75 O LEU A 129 -1.887 7.505 -7.772 1.00 0.56 O ATOM 76 CB LEU A 129 -4.220 5.778 -8.400 1.00 0.92 C ATOM 77 CG LEU A 129 -3.838 4.360 -8.025 1.00 0.37 C ATOM 78 CD1 LEU A 129 -4.994 3.404 -8.261 1.00 1.12 C ATOM 79 CD2 LEU A 129 -2.597 3.946 -8.793 1.00 1.15 C ATOM 0 H LEU A 129 -5.216 8.074 -8.378 1.00 0.57 H new ATOM 0 HA LEU A 129 -4.574 6.260 -6.396 1.00 0.66 H new ATOM 0 HB2 LEU A 129 -5.249 5.790 -8.760 1.00 0.92 H new ATOM 0 HB3 LEU A 129 -3.590 6.114 -9.224 1.00 0.92 H new ATOM 0 HG LEU A 129 -3.609 4.321 -6.960 1.00 0.37 H new ATOM 0 HD11 LEU A 129 -4.693 2.394 -7.984 1.00 1.12 H new ATOM 0 HD12 LEU A 129 -5.847 3.708 -7.654 1.00 1.12 H new ATOM 0 HD13 LEU A 129 -5.273 3.423 -9.315 1.00 1.12 H new ATOM 0 HD21 LEU A 129 -2.324 2.926 -8.522 1.00 1.15 H new ATOM 0 HD22 LEU A 129 -2.798 3.995 -9.863 1.00 1.15 H new ATOM 0 HD23 LEU A 129 -1.775 4.619 -8.547 1.00 1.15 H new ATOM 91 N GLY A 130 -2.301 6.748 -5.682 1.00 0.57 N ATOM 92 CA GLY A 130 -1.028 7.118 -5.141 1.00 0.55 C ATOM 93 C GLY A 130 0.086 6.277 -5.695 1.00 0.53 C ATOM 94 O GLY A 130 0.665 5.453 -4.986 1.00 0.58 O ATOM 0 H GLY A 130 -2.910 6.267 -5.021 1.00 0.57 H new ATOM 0 HA2 GLY A 130 -0.833 8.168 -5.360 1.00 0.55 H new ATOM 0 HA3 GLY A 130 -1.052 7.018 -4.056 1.00 0.55 H new ATOM 98 N SER A 131 0.317 6.465 -6.994 1.00 0.56 N ATOM 99 CA SER A 131 1.446 5.873 -7.712 1.00 0.62 C ATOM 100 C SER A 131 1.330 4.355 -7.841 1.00 0.63 C ATOM 101 O SER A 131 1.187 3.633 -6.854 1.00 1.04 O ATOM 102 CB SER A 131 2.759 6.247 -7.025 1.00 0.71 C ATOM 103 OG SER A 131 2.890 7.658 -6.934 1.00 1.30 O ATOM 0 H SER A 131 -0.283 7.040 -7.585 1.00 0.56 H new ATOM 0 HA SER A 131 1.432 6.280 -8.723 1.00 0.62 H new ATOM 0 HB2 SER A 131 2.792 5.808 -6.028 1.00 0.71 H new ATOM 0 HB3 SER A 131 3.599 5.833 -7.583 1.00 0.71 H new ATOM 0 HG SER A 131 3.646 7.879 -6.352 1.00 1.30 H new ATOM 109 N ALA A 132 1.399 3.869 -9.070 1.00 0.64 N ATOM 110 CA ALA A 132 1.375 2.439 -9.315 1.00 0.58 C ATOM 111 C ALA A 132 2.792 1.898 -9.378 1.00 0.53 C ATOM 112 O ALA A 132 3.395 1.798 -10.449 1.00 0.65 O ATOM 113 CB ALA A 132 0.619 2.114 -10.591 1.00 0.71 C ATOM 0 H ALA A 132 1.472 4.443 -9.910 1.00 0.64 H new ATOM 0 HA ALA A 132 0.851 1.958 -8.489 1.00 0.58 H new ATOM 0 HB1 ALA A 132 0.618 1.035 -10.748 1.00 0.71 H new ATOM 0 HB2 ALA A 132 -0.408 2.470 -10.506 1.00 0.71 H new ATOM 0 HB3 ALA A 132 1.104 2.603 -11.436 1.00 0.71 H new ATOM 119 N MET A 133 3.325 1.590 -8.211 1.00 0.46 N ATOM 120 CA MET A 133 4.682 1.077 -8.090 1.00 0.49 C ATOM 121 C MET A 133 4.774 -0.386 -8.489 1.00 0.61 C ATOM 122 O MET A 133 3.773 -1.069 -8.654 1.00 1.65 O ATOM 123 CB MET A 133 5.236 1.249 -6.662 1.00 0.48 C ATOM 124 CG MET A 133 4.247 0.971 -5.540 1.00 0.41 C ATOM 125 SD MET A 133 4.748 -0.383 -4.470 1.00 0.73 S ATOM 126 CE MET A 133 3.528 -0.261 -3.164 1.00 0.40 C ATOM 0 H MET A 133 2.834 1.687 -7.322 1.00 0.46 H new ATOM 0 HA MET A 133 5.288 1.667 -8.777 1.00 0.49 H new ATOM 0 HB2 MET A 133 6.093 0.586 -6.541 1.00 0.48 H new ATOM 0 HB3 MET A 133 5.605 2.269 -6.554 1.00 0.48 H new ATOM 0 HG2 MET A 133 4.126 1.873 -4.940 1.00 0.41 H new ATOM 0 HG3 MET A 133 3.273 0.742 -5.972 1.00 0.41 H new ATOM 0 HE1 MET A 133 3.979 0.204 -2.287 1.00 0.40 H new ATOM 0 HE2 MET A 133 2.689 0.345 -3.506 1.00 0.40 H new ATOM 0 HE3 MET A 133 3.173 -1.258 -2.903 1.00 0.40 H new ATOM 136 N SER A 134 5.992 -0.860 -8.637 1.00 0.72 N ATOM 137 CA SER A 134 6.247 -2.267 -8.888 1.00 0.60 C ATOM 138 C SER A 134 6.727 -2.914 -7.603 1.00 0.52 C ATOM 139 O SER A 134 7.576 -3.808 -7.614 1.00 0.74 O ATOM 140 CB SER A 134 7.289 -2.429 -9.995 1.00 0.71 C ATOM 141 OG SER A 134 6.856 -1.797 -11.186 1.00 1.49 O ATOM 0 H SER A 134 6.833 -0.285 -8.587 1.00 0.72 H new ATOM 0 HA SER A 134 5.330 -2.754 -9.218 1.00 0.60 H new ATOM 0 HB2 SER A 134 8.238 -2.000 -9.674 1.00 0.71 H new ATOM 0 HB3 SER A 134 7.466 -3.488 -10.183 1.00 0.71 H new ATOM 0 HG SER A 134 7.536 -1.910 -11.882 1.00 1.49 H new ATOM 147 N ARG A 135 6.125 -2.458 -6.505 1.00 0.47 N ATOM 148 CA ARG A 135 6.533 -2.814 -5.150 1.00 0.43 C ATOM 149 C ARG A 135 7.803 -2.050 -4.802 1.00 0.47 C ATOM 150 O ARG A 135 8.633 -1.806 -5.671 1.00 0.59 O ATOM 151 CB ARG A 135 6.722 -4.316 -4.959 1.00 0.55 C ATOM 152 CG ARG A 135 5.409 -4.993 -4.633 1.00 0.49 C ATOM 153 CD ARG A 135 4.398 -4.648 -5.699 1.00 1.38 C ATOM 154 NE ARG A 135 4.351 -5.673 -6.736 1.00 2.40 N ATOM 155 CZ ARG A 135 4.088 -5.448 -8.025 1.00 3.22 C ATOM 156 NH1 ARG A 135 3.836 -4.224 -8.467 1.00 3.47 N ATOM 157 NH2 ARG A 135 4.086 -6.460 -8.881 1.00 4.16 N ATOM 0 H ARG A 135 5.328 -1.822 -6.534 1.00 0.47 H new ATOM 0 HA ARG A 135 5.730 -2.532 -4.469 1.00 0.43 H new ATOM 0 HB2 ARG A 135 7.144 -4.751 -5.865 1.00 0.55 H new ATOM 0 HB3 ARG A 135 7.437 -4.497 -4.156 1.00 0.55 H new ATOM 0 HG2 ARG A 135 5.546 -6.073 -4.580 1.00 0.49 H new ATOM 0 HG3 ARG A 135 5.051 -4.669 -3.656 1.00 0.49 H new ATOM 0 HD2 ARG A 135 3.412 -4.540 -5.247 1.00 1.38 H new ATOM 0 HD3 ARG A 135 4.651 -3.687 -6.146 1.00 1.38 H new ATOM 0 HE ARG A 135 4.533 -6.636 -6.454 1.00 2.40 H new ATOM 0 HH11 ARG A 135 3.841 -3.437 -7.819 1.00 3.47 H new ATOM 0 HH12 ARG A 135 3.637 -4.070 -9.455 1.00 3.47 H new ATOM 0 HH21 ARG A 135 4.285 -7.405 -8.554 1.00 4.16 H new ATOM 0 HH22 ARG A 135 3.886 -6.293 -9.867 1.00 4.16 H new ATOM 171 N PRO A 136 7.969 -1.614 -3.550 1.00 0.43 N ATOM 172 CA PRO A 136 9.234 -1.039 -3.082 1.00 0.49 C ATOM 173 C PRO A 136 10.271 -2.133 -2.893 1.00 0.46 C ATOM 174 O PRO A 136 11.324 -1.918 -2.287 1.00 0.58 O ATOM 175 CB PRO A 136 8.873 -0.401 -1.734 1.00 0.52 C ATOM 176 CG PRO A 136 7.384 -0.420 -1.674 1.00 0.47 C ATOM 177 CD PRO A 136 6.956 -1.593 -2.503 1.00 0.40 C ATOM 0 HA PRO A 136 9.661 -0.323 -3.785 1.00 0.49 H new ATOM 0 HB2 PRO A 136 9.307 -0.961 -0.906 1.00 0.52 H new ATOM 0 HB3 PRO A 136 9.256 0.617 -1.666 1.00 0.52 H new ATOM 0 HG2 PRO A 136 7.035 -0.520 -0.646 1.00 0.47 H new ATOM 0 HG3 PRO A 136 6.965 0.508 -2.064 1.00 0.47 H new ATOM 0 HD2 PRO A 136 6.947 -2.518 -1.926 1.00 0.40 H new ATOM 0 HD3 PRO A 136 5.953 -1.461 -2.909 1.00 0.40 H new ATOM 185 N LEU A 137 9.933 -3.311 -3.422 1.00 0.42 N ATOM 186 CA LEU A 137 10.747 -4.500 -3.300 1.00 0.48 C ATOM 187 C LEU A 137 11.022 -4.760 -1.828 1.00 0.45 C ATOM 188 O LEU A 137 12.156 -4.690 -1.368 1.00 0.62 O ATOM 189 CB LEU A 137 12.052 -4.364 -4.098 1.00 0.70 C ATOM 190 CG LEU A 137 11.928 -4.461 -5.627 1.00 0.77 C ATOM 191 CD1 LEU A 137 11.202 -5.734 -6.028 1.00 1.32 C ATOM 192 CD2 LEU A 137 11.231 -3.238 -6.207 1.00 1.33 C ATOM 0 H LEU A 137 9.074 -3.457 -3.952 1.00 0.42 H new ATOM 0 HA LEU A 137 10.209 -5.350 -3.719 1.00 0.48 H new ATOM 0 HB2 LEU A 137 12.505 -3.404 -3.852 1.00 0.70 H new ATOM 0 HB3 LEU A 137 12.742 -5.138 -3.761 1.00 0.70 H new ATOM 0 HG LEU A 137 12.936 -4.495 -6.040 1.00 0.77 H new ATOM 0 HD11 LEU A 137 11.125 -5.782 -7.114 1.00 1.32 H new ATOM 0 HD12 LEU A 137 11.757 -6.599 -5.665 1.00 1.32 H new ATOM 0 HD13 LEU A 137 10.202 -5.735 -5.593 1.00 1.32 H new ATOM 0 HD21 LEU A 137 11.160 -3.339 -7.290 1.00 1.33 H new ATOM 0 HD22 LEU A 137 10.230 -3.155 -5.784 1.00 1.33 H new ATOM 0 HD23 LEU A 137 11.803 -2.343 -5.963 1.00 1.33 H new ATOM 204 N ILE A 138 9.948 -5.030 -1.101 1.00 0.38 N ATOM 205 CA ILE A 138 9.981 -5.108 0.353 1.00 0.39 C ATOM 206 C ILE A 138 10.827 -6.249 0.865 1.00 0.50 C ATOM 207 O ILE A 138 11.619 -6.014 1.759 1.00 1.19 O ATOM 208 CB ILE A 138 8.572 -5.268 0.912 1.00 0.38 C ATOM 209 CG1 ILE A 138 7.714 -4.068 0.530 1.00 0.25 C ATOM 210 CG2 ILE A 138 8.588 -5.439 2.420 1.00 0.57 C ATOM 211 CD1 ILE A 138 8.224 -2.768 1.108 1.00 0.31 C ATOM 0 H ILE A 138 9.026 -5.202 -1.503 1.00 0.38 H new ATOM 0 HA ILE A 138 10.429 -4.174 0.692 1.00 0.39 H new ATOM 0 HB ILE A 138 8.142 -6.170 0.477 1.00 0.38 H new ATOM 0 HG12 ILE A 138 7.677 -3.986 -0.556 1.00 0.25 H new ATOM 0 HG13 ILE A 138 6.693 -4.235 0.872 1.00 0.25 H new ATOM 0 HG21 ILE A 138 7.567 -5.550 2.784 1.00 0.57 H new ATOM 0 HG22 ILE A 138 9.165 -6.327 2.679 1.00 0.57 H new ATOM 0 HG23 ILE A 138 9.044 -4.563 2.881 1.00 0.57 H new ATOM 0 HD11 ILE A 138 7.571 -1.952 0.800 1.00 0.31 H new ATOM 0 HD12 ILE A 138 8.235 -2.833 2.196 1.00 0.31 H new ATOM 0 HD13 ILE A 138 9.235 -2.580 0.745 1.00 0.31 H new ATOM 223 N HIS A 139 10.631 -7.464 0.293 1.00 0.65 N ATOM 224 CA HIS A 139 11.282 -8.737 0.738 1.00 0.75 C ATOM 225 C HIS A 139 11.294 -8.910 2.262 1.00 0.84 C ATOM 226 O HIS A 139 10.994 -8.002 3.028 1.00 1.80 O ATOM 227 CB HIS A 139 12.722 -8.908 0.188 1.00 0.84 C ATOM 228 CG HIS A 139 13.592 -7.730 0.452 1.00 0.72 C ATOM 229 ND1 HIS A 139 13.972 -6.853 -0.526 1.00 1.02 N ATOM 230 CD2 HIS A 139 13.961 -7.181 1.617 1.00 1.15 C ATOM 231 CE1 HIS A 139 14.511 -5.795 0.034 1.00 1.08 C ATOM 232 NE2 HIS A 139 14.503 -5.949 1.347 1.00 1.33 N ATOM 0 H HIS A 139 10.008 -7.596 -0.503 1.00 0.65 H new ATOM 0 HA HIS A 139 10.656 -9.520 0.311 1.00 0.75 H new ATOM 0 HB2 HIS A 139 13.173 -9.793 0.637 1.00 0.84 H new ATOM 0 HB3 HIS A 139 12.675 -9.084 -0.887 1.00 0.84 H new ATOM 0 HD2 HIS A 139 13.852 -7.628 2.594 1.00 1.15 H new ATOM 0 HE1 HIS A 139 14.899 -4.936 -0.494 1.00 1.08 H new ATOM 0 HE2 HIS A 139 14.839 -5.275 2.035 1.00 1.33 H new ATOM 241 N PHE A 140 11.600 -10.109 2.704 1.00 0.66 N ATOM 242 CA PHE A 140 11.783 -10.353 4.127 1.00 0.54 C ATOM 243 C PHE A 140 12.931 -11.318 4.381 1.00 0.63 C ATOM 244 O PHE A 140 13.323 -11.539 5.526 1.00 0.76 O ATOM 245 CB PHE A 140 10.482 -10.884 4.740 1.00 0.53 C ATOM 246 CG PHE A 140 9.362 -9.891 4.656 1.00 0.40 C ATOM 247 CD1 PHE A 140 9.250 -8.877 5.591 1.00 0.72 C ATOM 248 CD2 PHE A 140 8.449 -9.946 3.616 1.00 0.71 C ATOM 249 CE1 PHE A 140 8.247 -7.937 5.493 1.00 0.74 C ATOM 250 CE2 PHE A 140 7.451 -9.004 3.508 1.00 0.67 C ATOM 251 CZ PHE A 140 7.347 -8.000 4.449 1.00 0.35 C ATOM 0 H PHE A 140 11.728 -10.928 2.109 1.00 0.66 H new ATOM 0 HA PHE A 140 12.038 -9.407 4.605 1.00 0.54 H new ATOM 0 HB2 PHE A 140 10.190 -11.801 4.228 1.00 0.53 H new ATOM 0 HB3 PHE A 140 10.655 -11.144 5.784 1.00 0.53 H new ATOM 0 HD1 PHE A 140 9.956 -8.822 6.406 1.00 0.72 H new ATOM 0 HD2 PHE A 140 8.521 -10.736 2.883 1.00 0.71 H new ATOM 0 HE1 PHE A 140 8.166 -7.153 6.231 1.00 0.74 H new ATOM 0 HE2 PHE A 140 6.750 -9.051 2.688 1.00 0.67 H new ATOM 0 HZ PHE A 140 6.561 -7.264 4.368 1.00 0.35 H new ATOM 261 N GLY A 141 13.487 -11.877 3.310 1.00 0.66 N ATOM 262 CA GLY A 141 14.509 -12.887 3.459 1.00 0.77 C ATOM 263 C GLY A 141 13.895 -14.188 3.898 1.00 0.74 C ATOM 264 O GLY A 141 14.584 -15.108 4.342 1.00 0.86 O ATOM 0 H GLY A 141 13.246 -11.647 2.346 1.00 0.66 H new ATOM 0 HA2 GLY A 141 15.034 -13.025 2.514 1.00 0.77 H new ATOM 0 HA3 GLY A 141 15.249 -12.561 4.190 1.00 0.77 H new ATOM 268 N ASN A 142 12.580 -14.250 3.770 1.00 0.63 N ATOM 269 CA ASN A 142 11.828 -15.419 4.211 1.00 0.63 C ATOM 270 C ASN A 142 11.581 -16.361 3.057 1.00 0.63 C ATOM 271 O ASN A 142 12.026 -16.124 1.934 1.00 0.65 O ATOM 272 CB ASN A 142 10.476 -15.024 4.821 1.00 0.61 C ATOM 273 CG ASN A 142 10.610 -14.172 6.069 1.00 0.81 C ATOM 274 OD1 ASN A 142 9.759 -13.330 6.352 1.00 1.68 O ATOM 275 ND2 ASN A 142 11.660 -14.402 6.839 1.00 1.02 N ATOM 0 H ASN A 142 12.010 -13.507 3.365 1.00 0.63 H new ATOM 0 HA ASN A 142 12.430 -15.914 4.973 1.00 0.63 H new ATOM 0 HB2 ASN A 142 9.894 -14.479 4.077 1.00 0.61 H new ATOM 0 HB3 ASN A 142 9.916 -15.927 5.064 1.00 0.61 H new ATOM 0 HD21 ASN A 142 11.786 -13.873 7.702 1.00 1.02 H new ATOM 0 HD22 ASN A 142 12.344 -15.109 6.570 1.00 1.02 H new ATOM 282 N ASP A 143 10.887 -17.441 3.345 1.00 0.66 N ATOM 283 CA ASP A 143 10.441 -18.341 2.306 1.00 0.67 C ATOM 284 C ASP A 143 9.003 -18.034 1.948 1.00 0.61 C ATOM 285 O ASP A 143 8.731 -17.545 0.859 1.00 0.57 O ATOM 286 CB ASP A 143 10.574 -19.803 2.733 1.00 0.79 C ATOM 287 CG ASP A 143 10.162 -20.759 1.628 1.00 1.34 C ATOM 288 OD1 ASP A 143 8.953 -21.041 1.497 1.00 2.11 O ATOM 289 OD2 ASP A 143 11.047 -21.229 0.887 1.00 1.77 O ATOM 0 H ASP A 143 10.620 -17.716 4.290 1.00 0.66 H new ATOM 0 HA ASP A 143 11.077 -18.191 1.433 1.00 0.67 H new ATOM 0 HB2 ASP A 143 11.606 -20.004 3.020 1.00 0.79 H new ATOM 0 HB3 ASP A 143 9.958 -19.981 3.614 1.00 0.79 H new ATOM 294 N TYR A 144 8.084 -18.268 2.882 1.00 0.64 N ATOM 295 CA TYR A 144 6.673 -18.142 2.565 1.00 0.62 C ATOM 296 C TYR A 144 6.097 -16.780 2.953 1.00 0.55 C ATOM 297 O TYR A 144 5.167 -16.328 2.318 1.00 0.53 O ATOM 298 CB TYR A 144 5.845 -19.268 3.185 1.00 0.76 C ATOM 299 CG TYR A 144 4.494 -19.399 2.516 1.00 0.80 C ATOM 300 CD1 TYR A 144 4.390 -19.935 1.239 1.00 1.17 C ATOM 301 CD2 TYR A 144 3.335 -18.950 3.135 1.00 0.98 C ATOM 302 CE1 TYR A 144 3.171 -20.019 0.598 1.00 1.28 C ATOM 303 CE2 TYR A 144 2.111 -19.041 2.504 1.00 1.09 C ATOM 304 CZ TYR A 144 2.034 -19.571 1.233 1.00 1.08 C ATOM 305 OH TYR A 144 0.819 -19.631 0.589 1.00 1.26 O ATOM 0 H TYR A 144 8.289 -18.540 3.843 1.00 0.64 H new ATOM 0 HA TYR A 144 6.607 -18.226 1.480 1.00 0.62 H new ATOM 0 HB2 TYR A 144 6.387 -20.209 3.098 1.00 0.76 H new ATOM 0 HB3 TYR A 144 5.708 -19.076 4.249 1.00 0.76 H new ATOM 0 HD1 TYR A 144 5.278 -20.292 0.739 1.00 1.17 H new ATOM 0 HD2 TYR A 144 3.392 -18.523 4.125 1.00 0.98 H new ATOM 0 HE1 TYR A 144 3.109 -20.434 -0.397 1.00 1.28 H new ATOM 0 HE2 TYR A 144 1.217 -18.698 3.004 1.00 1.09 H new ATOM 0 HH TYR A 144 0.119 -19.276 1.177 1.00 1.26 H new ATOM 315 N GLU A 145 6.620 -16.133 3.991 1.00 0.58 N ATOM 316 CA GLU A 145 6.191 -14.761 4.310 1.00 0.54 C ATOM 317 C GLU A 145 6.731 -13.801 3.263 1.00 0.51 C ATOM 318 O GLU A 145 6.067 -12.837 2.876 1.00 0.50 O ATOM 319 CB GLU A 145 6.689 -14.323 5.679 1.00 0.61 C ATOM 320 CG GLU A 145 6.159 -15.154 6.832 1.00 0.76 C ATOM 321 CD GLU A 145 6.703 -14.691 8.165 1.00 1.31 C ATOM 322 OE1 GLU A 145 6.800 -13.466 8.380 1.00 1.71 O ATOM 323 OE2 GLU A 145 7.021 -15.551 9.019 1.00 1.74 O ATOM 0 H GLU A 145 7.326 -16.520 4.617 1.00 0.58 H new ATOM 0 HA GLU A 145 5.101 -14.747 4.316 1.00 0.54 H new ATOM 0 HB2 GLU A 145 7.778 -14.365 5.687 1.00 0.61 H new ATOM 0 HB3 GLU A 145 6.409 -13.282 5.838 1.00 0.61 H new ATOM 0 HG2 GLU A 145 5.070 -15.100 6.847 1.00 0.76 H new ATOM 0 HG3 GLU A 145 6.424 -16.200 6.676 1.00 0.76 H new ATOM 330 N ASP A 146 7.953 -14.074 2.829 1.00 0.54 N ATOM 331 CA ASP A 146 8.573 -13.335 1.738 1.00 0.54 C ATOM 332 C ASP A 146 7.721 -13.481 0.505 1.00 0.48 C ATOM 333 O ASP A 146 7.225 -12.513 -0.074 1.00 0.51 O ATOM 334 CB ASP A 146 9.932 -13.927 1.417 1.00 0.57 C ATOM 335 CG ASP A 146 10.788 -13.018 0.557 1.00 0.87 C ATOM 336 OD1 ASP A 146 10.686 -13.099 -0.688 1.00 1.38 O ATOM 337 OD2 ASP A 146 11.550 -12.204 1.121 1.00 1.30 O ATOM 0 H ASP A 146 8.540 -14.810 3.221 1.00 0.54 H new ATOM 0 HA ASP A 146 8.673 -12.291 2.033 1.00 0.54 H new ATOM 0 HB2 ASP A 146 10.459 -14.139 2.348 1.00 0.57 H new ATOM 0 HB3 ASP A 146 9.795 -14.879 0.905 1.00 0.57 H new ATOM 342 N ARG A 147 7.577 -14.738 0.126 1.00 0.44 N ATOM 343 CA ARG A 147 6.772 -15.140 -0.991 1.00 0.45 C ATOM 344 C ARG A 147 5.340 -14.634 -0.831 1.00 0.38 C ATOM 345 O ARG A 147 4.729 -14.212 -1.800 1.00 0.35 O ATOM 346 CB ARG A 147 6.814 -16.663 -1.098 1.00 0.59 C ATOM 347 CG ARG A 147 6.238 -17.225 -2.388 1.00 0.80 C ATOM 348 CD ARG A 147 4.730 -17.190 -2.392 1.00 0.67 C ATOM 349 NE ARG A 147 4.180 -17.563 -3.698 1.00 1.38 N ATOM 350 CZ ARG A 147 3.103 -18.330 -3.873 1.00 1.78 C ATOM 351 NH1 ARG A 147 2.407 -18.762 -2.830 1.00 1.90 N ATOM 352 NH2 ARG A 147 2.698 -18.627 -5.098 1.00 2.55 N ATOM 0 H ARG A 147 8.030 -15.517 0.603 1.00 0.44 H new ATOM 0 HA ARG A 147 7.166 -14.705 -1.909 1.00 0.45 H new ATOM 0 HB2 ARG A 147 7.849 -16.992 -1.005 1.00 0.59 H new ATOM 0 HB3 ARG A 147 6.267 -17.088 -0.256 1.00 0.59 H new ATOM 0 HG2 ARG A 147 6.617 -16.652 -3.235 1.00 0.80 H new ATOM 0 HG3 ARG A 147 6.578 -18.252 -2.520 1.00 0.80 H new ATOM 0 HD2 ARG A 147 4.349 -17.869 -1.630 1.00 0.67 H new ATOM 0 HD3 ARG A 147 4.389 -16.189 -2.126 1.00 0.67 H new ATOM 0 HE ARG A 147 4.653 -17.212 -4.530 1.00 1.38 H new ATOM 0 HH11 ARG A 147 2.694 -18.508 -1.885 1.00 1.90 H new ATOM 0 HH12 ARG A 147 1.585 -19.348 -2.973 1.00 1.90 H new ATOM 0 HH21 ARG A 147 3.209 -18.269 -5.905 1.00 2.55 H new ATOM 0 HH22 ARG A 147 1.875 -19.213 -5.235 1.00 2.55 H new ATOM 366 N TYR A 148 4.807 -14.685 0.389 1.00 0.39 N ATOM 367 CA TYR A 148 3.469 -14.169 0.662 1.00 0.38 C ATOM 368 C TYR A 148 3.355 -12.772 0.118 1.00 0.32 C ATOM 369 O TYR A 148 2.555 -12.522 -0.755 1.00 0.44 O ATOM 370 CB TYR A 148 3.148 -14.166 2.161 1.00 0.53 C ATOM 371 CG TYR A 148 1.981 -15.046 2.557 1.00 0.90 C ATOM 372 CD1 TYR A 148 0.962 -15.317 1.652 1.00 1.93 C ATOM 373 CD2 TYR A 148 1.898 -15.609 3.824 1.00 1.13 C ATOM 374 CE1 TYR A 148 -0.106 -16.121 1.999 1.00 2.86 C ATOM 375 CE2 TYR A 148 0.831 -16.414 4.179 1.00 1.93 C ATOM 376 CZ TYR A 148 -0.160 -16.658 3.306 1.00 2.73 C ATOM 377 OH TYR A 148 -1.235 -17.467 3.611 1.00 3.74 O ATOM 0 H TYR A 148 5.281 -15.078 1.202 1.00 0.39 H new ATOM 0 HA TYR A 148 2.750 -14.827 0.174 1.00 0.38 H new ATOM 0 HB2 TYR A 148 4.033 -14.490 2.709 1.00 0.53 H new ATOM 0 HB3 TYR A 148 2.937 -13.143 2.472 1.00 0.53 H new ATOM 0 HD1 TYR A 148 1.006 -14.892 0.660 1.00 1.93 H new ATOM 0 HD2 TYR A 148 2.680 -15.415 4.544 1.00 1.13 H new ATOM 0 HE1 TYR A 148 -0.887 -16.336 1.284 1.00 2.86 H new ATOM 0 HE2 TYR A 148 0.794 -16.850 5.166 1.00 1.93 H new ATOM 0 HH TYR A 148 -0.913 -18.300 4.015 1.00 3.74 H new ATOM 387 N TYR A 149 4.177 -11.870 0.617 1.00 0.27 N ATOM 388 CA TYR A 149 4.282 -10.540 0.045 1.00 0.25 C ATOM 389 C TYR A 149 4.366 -10.557 -1.493 1.00 0.25 C ATOM 390 O TYR A 149 3.709 -9.752 -2.156 1.00 0.29 O ATOM 391 CB TYR A 149 5.492 -9.829 0.641 1.00 0.35 C ATOM 392 CG TYR A 149 6.125 -8.825 -0.281 1.00 0.31 C ATOM 393 CD1 TYR A 149 5.432 -7.697 -0.701 1.00 0.85 C ATOM 394 CD2 TYR A 149 7.418 -9.015 -0.738 1.00 1.17 C ATOM 395 CE1 TYR A 149 6.023 -6.784 -1.554 1.00 0.80 C ATOM 396 CE2 TYR A 149 8.012 -8.110 -1.585 1.00 1.32 C ATOM 397 CZ TYR A 149 7.315 -6.996 -1.988 1.00 0.63 C ATOM 398 OH TYR A 149 7.918 -6.091 -2.825 1.00 0.81 O ATOM 0 H TYR A 149 4.784 -12.034 1.420 1.00 0.27 H new ATOM 0 HA TYR A 149 3.370 -9.998 0.296 1.00 0.25 H new ATOM 0 HB2 TYR A 149 5.189 -9.324 1.558 1.00 0.35 H new ATOM 0 HB3 TYR A 149 6.238 -10.574 0.918 1.00 0.35 H new ATOM 0 HD1 TYR A 149 4.421 -7.532 -0.358 1.00 0.85 H new ATOM 0 HD2 TYR A 149 7.969 -9.889 -0.424 1.00 1.17 H new ATOM 0 HE1 TYR A 149 5.477 -5.911 -1.878 1.00 0.80 H new ATOM 0 HE2 TYR A 149 9.022 -8.273 -1.932 1.00 1.32 H new ATOM 0 HH TYR A 149 8.442 -6.569 -3.501 1.00 0.81 H new ATOM 408 N ARG A 150 5.141 -11.475 -2.059 1.00 0.27 N ATOM 409 CA ARG A 150 5.393 -11.463 -3.501 1.00 0.30 C ATOM 410 C ARG A 150 4.159 -11.892 -4.306 1.00 0.33 C ATOM 411 O ARG A 150 4.027 -11.565 -5.480 1.00 0.40 O ATOM 412 CB ARG A 150 6.573 -12.354 -3.882 1.00 0.32 C ATOM 413 CG ARG A 150 6.174 -13.781 -4.198 1.00 0.78 C ATOM 414 CD ARG A 150 6.895 -14.296 -5.424 1.00 0.83 C ATOM 415 NE ARG A 150 6.380 -13.654 -6.640 1.00 0.94 N ATOM 416 CZ ARG A 150 7.131 -13.277 -7.671 1.00 1.23 C ATOM 417 NH1 ARG A 150 8.444 -13.447 -7.629 1.00 1.61 N ATOM 418 NH2 ARG A 150 6.563 -12.728 -8.741 1.00 1.36 N ATOM 0 H ARG A 150 5.602 -12.230 -1.551 1.00 0.27 H new ATOM 0 HA ARG A 150 5.634 -10.430 -3.751 1.00 0.30 H new ATOM 0 HB2 ARG A 150 7.077 -11.926 -4.748 1.00 0.32 H new ATOM 0 HB3 ARG A 150 7.294 -12.359 -3.064 1.00 0.32 H new ATOM 0 HG2 ARG A 150 6.400 -14.421 -3.345 1.00 0.78 H new ATOM 0 HG3 ARG A 150 5.097 -13.832 -4.359 1.00 0.78 H new ATOM 0 HD2 ARG A 150 7.964 -14.103 -5.331 1.00 0.83 H new ATOM 0 HD3 ARG A 150 6.771 -15.376 -5.497 1.00 0.83 H new ATOM 0 HE ARG A 150 5.376 -13.485 -6.698 1.00 0.94 H new ATOM 0 HH11 ARG A 150 8.878 -13.867 -6.807 1.00 1.61 H new ATOM 0 HH12 ARG A 150 9.021 -13.158 -8.419 1.00 1.61 H new ATOM 0 HH21 ARG A 150 5.552 -12.596 -8.771 1.00 1.36 H new ATOM 0 HH22 ARG A 150 7.138 -12.439 -9.532 1.00 1.36 H new ATOM 432 N GLU A 151 3.273 -12.628 -3.663 1.00 0.36 N ATOM 433 CA GLU A 151 2.084 -13.161 -4.297 1.00 0.45 C ATOM 434 C GLU A 151 0.982 -12.262 -3.888 1.00 0.49 C ATOM 435 O GLU A 151 -0.033 -12.101 -4.562 1.00 0.59 O ATOM 436 CB GLU A 151 1.833 -14.606 -3.861 1.00 0.57 C ATOM 437 CG GLU A 151 1.875 -14.768 -2.359 1.00 0.82 C ATOM 438 CD GLU A 151 1.299 -16.088 -1.859 1.00 1.60 C ATOM 439 OE1 GLU A 151 0.220 -16.502 -2.336 1.00 2.11 O ATOM 440 OE2 GLU A 151 1.946 -16.739 -1.009 1.00 2.16 O ATOM 0 H GLU A 151 3.360 -12.875 -2.677 1.00 0.36 H new ATOM 0 HA GLU A 151 2.180 -13.195 -5.382 1.00 0.45 H new ATOM 0 HB2 GLU A 151 0.861 -14.931 -4.232 1.00 0.57 H new ATOM 0 HB3 GLU A 151 2.581 -15.255 -4.315 1.00 0.57 H new ATOM 0 HG2 GLU A 151 2.909 -14.685 -2.024 1.00 0.82 H new ATOM 0 HG3 GLU A 151 1.325 -13.947 -1.900 1.00 0.82 H new ATOM 447 N ASN A 152 1.246 -11.641 -2.767 1.00 0.45 N ATOM 448 CA ASN A 152 0.392 -10.665 -2.205 1.00 0.50 C ATOM 449 C ASN A 152 0.366 -9.458 -3.061 1.00 0.55 C ATOM 450 O ASN A 152 -0.554 -8.708 -3.010 1.00 0.88 O ATOM 451 CB ASN A 152 0.779 -10.396 -0.747 1.00 0.46 C ATOM 452 CG ASN A 152 0.691 -8.958 -0.331 1.00 0.51 C ATOM 453 OD1 ASN A 152 -0.356 -8.483 0.066 1.00 0.85 O ATOM 454 ND2 ASN A 152 1.817 -8.273 -0.393 1.00 0.67 N ATOM 0 H ASN A 152 2.087 -11.816 -2.217 1.00 0.45 H new ATOM 0 HA ASN A 152 -0.634 -11.032 -2.175 1.00 0.50 H new ATOM 0 HB2 ASN A 152 0.133 -10.988 -0.099 1.00 0.46 H new ATOM 0 HB3 ASN A 152 1.799 -10.745 -0.586 1.00 0.46 H new ATOM 0 HD21 ASN A 152 1.837 -7.296 -0.100 1.00 0.67 H new ATOM 0 HD22 ASN A 152 2.668 -8.720 -0.734 1.00 0.67 H new ATOM 461 N MET A 153 1.320 -9.333 -3.926 1.00 0.43 N ATOM 462 CA MET A 153 1.313 -8.243 -4.861 1.00 0.46 C ATOM 463 C MET A 153 0.418 -8.540 -6.063 1.00 0.51 C ATOM 464 O MET A 153 0.287 -7.727 -6.979 1.00 0.63 O ATOM 465 CB MET A 153 2.727 -7.984 -5.236 1.00 0.42 C ATOM 466 CG MET A 153 3.210 -8.702 -6.482 1.00 0.92 C ATOM 467 SD MET A 153 4.996 -8.621 -6.587 1.00 1.27 S ATOM 468 CE MET A 153 5.310 -8.575 -4.828 1.00 1.39 C ATOM 0 H MET A 153 2.114 -9.968 -4.009 1.00 0.43 H new ATOM 0 HA MET A 153 0.886 -7.345 -4.414 1.00 0.46 H new ATOM 0 HB2 MET A 153 2.856 -6.912 -5.382 1.00 0.42 H new ATOM 0 HB3 MET A 153 3.366 -8.271 -4.401 1.00 0.42 H new ATOM 0 HG2 MET A 153 2.886 -9.743 -6.460 1.00 0.92 H new ATOM 0 HG3 MET A 153 2.765 -8.249 -7.368 1.00 0.92 H new ATOM 0 HE1 MET A 153 6.366 -8.772 -4.642 1.00 1.39 H new ATOM 0 HE2 MET A 153 5.050 -7.591 -4.438 1.00 1.39 H new ATOM 0 HE3 MET A 153 4.706 -9.334 -4.331 1.00 1.39 H new ATOM 478 N TYR A 154 -0.160 -9.730 -6.062 1.00 0.49 N ATOM 479 CA TYR A 154 -1.181 -10.098 -7.029 1.00 0.55 C ATOM 480 C TYR A 154 -2.564 -9.869 -6.429 1.00 0.47 C ATOM 481 O TYR A 154 -3.535 -9.598 -7.134 1.00 0.59 O ATOM 482 CB TYR A 154 -1.051 -11.570 -7.400 1.00 0.66 C ATOM 483 CG TYR A 154 0.219 -11.926 -8.151 1.00 1.18 C ATOM 484 CD1 TYR A 154 1.451 -11.940 -7.510 1.00 1.57 C ATOM 485 CD2 TYR A 154 0.183 -12.228 -9.507 1.00 2.12 C ATOM 486 CE1 TYR A 154 2.609 -12.251 -8.200 1.00 2.39 C ATOM 487 CE2 TYR A 154 1.335 -12.538 -10.200 1.00 3.05 C ATOM 488 CZ TYR A 154 2.548 -12.612 -9.508 1.00 3.08 C ATOM 489 OH TYR A 154 3.692 -12.848 -10.242 1.00 4.05 O ATOM 0 H TYR A 154 0.065 -10.466 -5.393 1.00 0.49 H new ATOM 0 HA TYR A 154 -1.051 -9.483 -7.920 1.00 0.55 H new ATOM 0 HB2 TYR A 154 -1.097 -12.166 -6.488 1.00 0.66 H new ATOM 0 HB3 TYR A 154 -1.909 -11.854 -8.010 1.00 0.66 H new ATOM 0 HD1 TYR A 154 1.506 -11.705 -6.457 1.00 1.57 H new ATOM 0 HD2 TYR A 154 -0.763 -12.220 -10.027 1.00 2.12 H new ATOM 0 HE1 TYR A 154 3.564 -12.207 -7.697 1.00 2.39 H new ATOM 0 HE2 TYR A 154 1.300 -12.721 -11.264 1.00 3.05 H new ATOM 0 HH TYR A 154 3.448 -13.096 -11.158 1.00 4.05 H new ATOM 499 N ARG A 155 -2.629 -9.996 -5.114 1.00 0.37 N ATOM 500 CA ARG A 155 -3.880 -9.882 -4.368 1.00 0.36 C ATOM 501 C ARG A 155 -3.991 -8.462 -3.820 1.00 0.31 C ATOM 502 O ARG A 155 -5.005 -7.781 -3.982 1.00 0.41 O ATOM 503 CB ARG A 155 -3.874 -10.929 -3.247 1.00 0.43 C ATOM 504 CG ARG A 155 -2.840 -10.656 -2.171 1.00 0.63 C ATOM 505 CD ARG A 155 -2.264 -11.954 -1.608 1.00 0.58 C ATOM 506 NE ARG A 155 -1.724 -12.789 -2.658 1.00 0.78 N ATOM 507 CZ ARG A 155 -1.678 -14.105 -2.587 1.00 1.20 C ATOM 508 NH1 ARG A 155 -1.953 -14.720 -1.441 1.00 1.05 N ATOM 509 NH2 ARG A 155 -1.318 -14.807 -3.646 1.00 1.89 N ATOM 0 H ARG A 155 -1.815 -10.182 -4.528 1.00 0.37 H new ATOM 0 HA ARG A 155 -4.745 -10.069 -5.004 1.00 0.36 H new ATOM 0 HB2 ARG A 155 -4.863 -10.966 -2.789 1.00 0.43 H new ATOM 0 HB3 ARG A 155 -3.686 -11.912 -3.679 1.00 0.43 H new ATOM 0 HG2 ARG A 155 -2.035 -10.048 -2.584 1.00 0.63 H new ATOM 0 HG3 ARG A 155 -3.294 -10.079 -1.366 1.00 0.63 H new ATOM 0 HD2 ARG A 155 -1.481 -11.723 -0.885 1.00 0.58 H new ATOM 0 HD3 ARG A 155 -3.042 -12.498 -1.072 1.00 0.58 H new ATOM 0 HE ARG A 155 -1.360 -12.337 -3.497 1.00 0.78 H new ATOM 0 HH11 ARG A 155 -2.200 -14.174 -0.616 1.00 1.05 H new ATOM 0 HH12 ARG A 155 -1.917 -15.738 -1.387 1.00 1.05 H new ATOM 0 HH21 ARG A 155 -1.077 -14.331 -4.515 1.00 1.89 H new ATOM 0 HH22 ARG A 155 -1.281 -15.825 -3.595 1.00 1.89 H new ATOM 523 N TYR A 156 -2.899 -8.021 -3.232 1.00 0.27 N ATOM 524 CA TYR A 156 -2.701 -6.642 -2.862 1.00 0.28 C ATOM 525 C TYR A 156 -2.112 -6.026 -4.088 1.00 0.39 C ATOM 526 O TYR A 156 -1.503 -6.732 -4.882 1.00 0.78 O ATOM 527 CB TYR A 156 -1.724 -6.498 -1.667 1.00 0.35 C ATOM 528 CG TYR A 156 -0.464 -5.686 -1.970 1.00 0.95 C ATOM 529 CD1 TYR A 156 -0.437 -4.316 -1.764 1.00 1.51 C ATOM 530 CD2 TYR A 156 0.698 -6.287 -2.417 1.00 1.36 C ATOM 531 CE1 TYR A 156 0.696 -3.572 -1.984 1.00 2.14 C ATOM 532 CE2 TYR A 156 1.843 -5.545 -2.652 1.00 1.99 C ATOM 533 CZ TYR A 156 1.815 -4.231 -2.615 1.00 2.31 C ATOM 534 OH TYR A 156 2.976 -3.455 -2.609 1.00 2.98 O ATOM 0 H TYR A 156 -2.112 -8.625 -2.995 1.00 0.27 H new ATOM 0 HA TYR A 156 -3.629 -6.170 -2.541 1.00 0.28 H new ATOM 0 HB2 TYR A 156 -2.252 -6.029 -0.837 1.00 0.35 H new ATOM 0 HB3 TYR A 156 -1.428 -7.493 -1.334 1.00 0.35 H new ATOM 0 HD1 TYR A 156 -1.332 -3.819 -1.421 1.00 1.51 H new ATOM 0 HD2 TYR A 156 0.713 -7.354 -2.586 1.00 1.36 H new ATOM 0 HE1 TYR A 156 0.748 -2.532 -1.696 1.00 2.14 H new ATOM 0 HE2 TYR A 156 2.772 -6.052 -2.869 1.00 1.99 H new ATOM 0 HH TYR A 156 3.248 -3.266 -3.531 1.00 2.98 H new ATOM 544 N PRO A 157 -2.283 -4.757 -4.326 1.00 0.28 N ATOM 545 CA PRO A 157 -1.730 -4.205 -5.520 1.00 0.29 C ATOM 546 C PRO A 157 -0.294 -3.722 -5.363 1.00 0.34 C ATOM 547 O PRO A 157 0.636 -4.520 -5.278 1.00 0.66 O ATOM 548 CB PRO A 157 -2.682 -3.044 -5.793 1.00 0.31 C ATOM 549 CG PRO A 157 -3.036 -2.558 -4.420 1.00 0.32 C ATOM 550 CD PRO A 157 -3.056 -3.783 -3.540 1.00 0.33 C ATOM 0 HA PRO A 157 -1.657 -4.936 -6.325 1.00 0.29 H new ATOM 0 HB2 PRO A 157 -2.205 -2.263 -6.385 1.00 0.31 H new ATOM 0 HB3 PRO A 157 -3.564 -3.368 -6.345 1.00 0.31 H new ATOM 0 HG2 PRO A 157 -2.306 -1.832 -4.062 1.00 0.32 H new ATOM 0 HG3 PRO A 157 -4.006 -2.061 -4.420 1.00 0.32 H new ATOM 0 HD2 PRO A 157 -2.599 -3.592 -2.569 1.00 0.33 H new ATOM 0 HD3 PRO A 157 -4.072 -4.130 -3.351 1.00 0.33 H new ATOM 558 N ASN A 158 -0.142 -2.407 -5.363 1.00 0.32 N ATOM 559 CA ASN A 158 1.147 -1.733 -5.373 1.00 0.31 C ATOM 560 C ASN A 158 0.882 -0.275 -5.630 1.00 0.33 C ATOM 561 O ASN A 158 1.589 0.403 -6.363 1.00 0.42 O ATOM 562 CB ASN A 158 2.056 -2.307 -6.449 1.00 0.40 C ATOM 563 CG ASN A 158 1.330 -2.526 -7.778 1.00 0.74 C ATOM 564 OD1 ASN A 158 1.145 -1.599 -8.564 1.00 1.47 O ATOM 565 ND2 ASN A 158 0.924 -3.760 -8.043 1.00 1.42 N ATOM 0 H ASN A 158 -0.932 -1.762 -5.356 1.00 0.32 H new ATOM 0 HA ASN A 158 1.656 -1.874 -4.419 1.00 0.31 H new ATOM 0 HB2 ASN A 158 2.898 -1.632 -6.606 1.00 0.40 H new ATOM 0 HB3 ASN A 158 2.468 -3.255 -6.104 1.00 0.40 H new ATOM 0 HD21 ASN A 158 0.443 -3.961 -8.920 1.00 1.42 H new ATOM 0 HD22 ASN A 158 1.093 -4.508 -7.370 1.00 1.42 H new ATOM 572 N GLN A 159 -0.173 0.184 -5.008 1.00 0.30 N ATOM 573 CA GLN A 159 -0.675 1.514 -5.203 1.00 0.31 C ATOM 574 C GLN A 159 -1.647 1.799 -4.094 1.00 0.28 C ATOM 575 O GLN A 159 -2.173 0.865 -3.484 1.00 0.29 O ATOM 576 CB GLN A 159 -1.367 1.615 -6.557 1.00 0.38 C ATOM 577 CG GLN A 159 -2.457 0.570 -6.742 1.00 0.44 C ATOM 578 CD GLN A 159 -2.953 0.460 -8.169 1.00 0.92 C ATOM 579 OE1 GLN A 159 -4.116 0.142 -8.405 1.00 1.63 O ATOM 580 NE2 GLN A 159 -2.077 0.701 -9.130 1.00 1.50 N ATOM 0 H GLN A 159 -0.714 -0.367 -4.342 1.00 0.30 H new ATOM 0 HA GLN A 159 0.138 2.240 -5.188 1.00 0.31 H new ATOM 0 HB2 GLN A 159 -1.801 2.609 -6.665 1.00 0.38 H new ATOM 0 HB3 GLN A 159 -0.625 1.504 -7.348 1.00 0.38 H new ATOM 0 HG2 GLN A 159 -2.077 -0.400 -6.422 1.00 0.44 H new ATOM 0 HG3 GLN A 159 -3.297 0.814 -6.092 1.00 0.44 H new ATOM 0 HE21 GLN A 159 -1.120 0.963 -8.894 1.00 1.50 H new ATOM 0 HE22 GLN A 159 -2.359 0.625 -10.107 1.00 1.50 H new ATOM 589 N VAL A 160 -1.894 3.052 -3.820 1.00 0.30 N ATOM 590 CA VAL A 160 -2.762 3.401 -2.738 1.00 0.28 C ATOM 591 C VAL A 160 -3.747 4.463 -3.156 1.00 0.31 C ATOM 592 O VAL A 160 -3.606 5.075 -4.208 1.00 0.53 O ATOM 593 CB VAL A 160 -1.978 3.835 -1.495 1.00 0.28 C ATOM 594 CG1 VAL A 160 -1.531 2.612 -0.711 1.00 0.30 C ATOM 595 CG2 VAL A 160 -0.774 4.675 -1.880 1.00 0.29 C ATOM 0 H VAL A 160 -1.505 3.844 -4.332 1.00 0.30 H new ATOM 0 HA VAL A 160 -3.322 2.505 -2.470 1.00 0.28 H new ATOM 0 HB VAL A 160 -2.633 4.443 -0.871 1.00 0.28 H new ATOM 0 HG11 VAL A 160 -0.974 2.929 0.171 1.00 0.30 H new ATOM 0 HG12 VAL A 160 -2.405 2.038 -0.402 1.00 0.30 H new ATOM 0 HG13 VAL A 160 -0.893 1.991 -1.339 1.00 0.30 H new ATOM 0 HG21 VAL A 160 -0.234 4.971 -0.981 1.00 0.29 H new ATOM 0 HG22 VAL A 160 -0.115 4.093 -2.524 1.00 0.29 H new ATOM 0 HG23 VAL A 160 -1.107 5.566 -2.412 1.00 0.29 H new ATOM 605 N TYR A 161 -4.761 4.648 -2.354 1.00 0.32 N ATOM 606 CA TYR A 161 -5.851 5.522 -2.708 1.00 0.36 C ATOM 607 C TYR A 161 -5.884 6.747 -1.827 1.00 0.34 C ATOM 608 O TYR A 161 -6.267 6.670 -0.662 1.00 0.42 O ATOM 609 CB TYR A 161 -7.156 4.771 -2.566 1.00 0.49 C ATOM 610 CG TYR A 161 -7.420 3.770 -3.666 1.00 0.44 C ATOM 611 CD1 TYR A 161 -7.980 4.175 -4.872 1.00 0.65 C ATOM 612 CD2 TYR A 161 -7.116 2.424 -3.503 1.00 0.38 C ATOM 613 CE1 TYR A 161 -8.231 3.272 -5.882 1.00 0.74 C ATOM 614 CE2 TYR A 161 -7.363 1.513 -4.511 1.00 0.49 C ATOM 615 CZ TYR A 161 -7.892 1.913 -5.679 1.00 0.63 C ATOM 616 OH TYR A 161 -8.171 1.033 -6.700 1.00 0.82 O ATOM 0 H TYR A 161 -4.856 4.201 -1.442 1.00 0.32 H new ATOM 0 HA TYR A 161 -5.708 5.847 -3.738 1.00 0.36 H new ATOM 0 HB2 TYR A 161 -7.160 4.250 -1.608 1.00 0.49 H new ATOM 0 HB3 TYR A 161 -7.975 5.490 -2.541 1.00 0.49 H new ATOM 0 HD1 TYR A 161 -8.223 5.217 -5.020 1.00 0.65 H new ATOM 0 HD2 TYR A 161 -6.680 2.085 -2.575 1.00 0.38 H new ATOM 0 HE1 TYR A 161 -8.678 3.595 -6.811 1.00 0.74 H new ATOM 0 HE2 TYR A 161 -7.129 0.470 -4.359 1.00 0.49 H new ATOM 0 HH TYR A 161 -7.891 0.131 -6.440 1.00 0.82 H new ATOM 626 N TYR A 162 -5.481 7.875 -2.376 1.00 0.31 N ATOM 627 CA TYR A 162 -5.555 9.115 -1.642 1.00 0.27 C ATOM 628 C TYR A 162 -5.479 10.305 -2.572 1.00 0.31 C ATOM 629 O TYR A 162 -5.123 10.173 -3.711 1.00 0.55 O ATOM 630 CB TYR A 162 -4.458 9.190 -0.582 1.00 0.39 C ATOM 631 CG TYR A 162 -3.042 9.301 -1.115 1.00 0.46 C ATOM 632 CD1 TYR A 162 -2.339 8.165 -1.487 1.00 0.77 C ATOM 633 CD2 TYR A 162 -2.419 10.533 -1.273 1.00 0.89 C ATOM 634 CE1 TYR A 162 -1.061 8.243 -1.990 1.00 1.16 C ATOM 635 CE2 TYR A 162 -1.135 10.621 -1.780 1.00 1.29 C ATOM 636 CZ TYR A 162 -0.434 9.536 -2.045 1.00 1.35 C ATOM 637 OH TYR A 162 0.814 9.545 -2.633 1.00 1.82 O ATOM 0 H TYR A 162 -5.103 7.956 -3.320 1.00 0.31 H new ATOM 0 HA TYR A 162 -6.520 9.143 -1.136 1.00 0.27 H new ATOM 0 HB2 TYR A 162 -4.655 10.049 0.059 1.00 0.39 H new ATOM 0 HB3 TYR A 162 -4.523 8.302 0.046 1.00 0.39 H new ATOM 0 HD1 TYR A 162 -2.806 7.197 -1.379 1.00 0.77 H new ATOM 0 HD2 TYR A 162 -2.945 11.435 -0.996 1.00 0.89 H new ATOM 0 HE1 TYR A 162 -0.544 7.359 -2.333 1.00 1.16 H new ATOM 0 HE2 TYR A 162 -0.700 11.593 -1.962 1.00 1.29 H new ATOM 0 HH TYR A 162 1.459 9.964 -2.025 1.00 1.82 H new ATOM 647 N ARG A 163 -5.827 11.455 -2.063 1.00 0.26 N ATOM 648 CA ARG A 163 -5.739 12.706 -2.798 1.00 0.32 C ATOM 649 C ARG A 163 -4.489 13.427 -2.306 1.00 0.36 C ATOM 650 O ARG A 163 -3.895 12.977 -1.335 1.00 0.41 O ATOM 651 CB ARG A 163 -6.993 13.551 -2.586 1.00 0.41 C ATOM 652 CG ARG A 163 -7.121 14.094 -1.184 1.00 0.75 C ATOM 653 CD ARG A 163 -7.953 15.361 -1.179 1.00 1.28 C ATOM 654 NE ARG A 163 -8.176 15.868 0.173 1.00 1.93 N ATOM 655 CZ ARG A 163 -7.582 16.952 0.676 1.00 2.58 C ATOM 656 NH1 ARG A 163 -6.755 17.672 -0.076 1.00 2.91 N ATOM 657 NH2 ARG A 163 -7.831 17.319 1.927 1.00 3.26 N ATOM 0 H ARG A 163 -6.186 11.561 -1.114 1.00 0.26 H new ATOM 0 HA ARG A 163 -5.670 12.522 -3.870 1.00 0.32 H new ATOM 0 HB2 ARG A 163 -6.985 14.383 -3.290 1.00 0.41 H new ATOM 0 HB3 ARG A 163 -7.871 12.948 -2.815 1.00 0.41 H new ATOM 0 HG2 ARG A 163 -7.583 13.346 -0.539 1.00 0.75 H new ATOM 0 HG3 ARG A 163 -6.132 14.300 -0.776 1.00 0.75 H new ATOM 0 HD2 ARG A 163 -7.452 16.125 -1.774 1.00 1.28 H new ATOM 0 HD3 ARG A 163 -8.914 15.165 -1.655 1.00 1.28 H new ATOM 0 HE ARG A 163 -8.828 15.361 0.771 1.00 1.93 H new ATOM 0 HH11 ARG A 163 -6.573 17.396 -1.041 1.00 2.91 H new ATOM 0 HH12 ARG A 163 -6.303 18.500 0.312 1.00 2.91 H new ATOM 0 HH21 ARG A 163 -8.474 16.773 2.500 1.00 3.26 H new ATOM 0 HH22 ARG A 163 -7.379 18.147 2.315 1.00 3.26 H new ATOM 671 N PRO A 164 -4.068 14.558 -2.888 1.00 0.45 N ATOM 672 CA PRO A 164 -2.695 15.009 -2.715 1.00 0.51 C ATOM 673 C PRO A 164 -2.519 15.870 -1.471 1.00 0.51 C ATOM 674 O PRO A 164 -3.386 16.669 -1.097 1.00 0.57 O ATOM 675 CB PRO A 164 -2.485 15.835 -3.978 1.00 0.65 C ATOM 676 CG PRO A 164 -3.812 16.460 -4.236 1.00 0.80 C ATOM 677 CD PRO A 164 -4.839 15.460 -3.768 1.00 0.53 C ATOM 0 HA PRO A 164 -1.987 14.191 -2.581 1.00 0.51 H new ATOM 0 HB2 PRO A 164 -1.711 16.589 -3.835 1.00 0.65 H new ATOM 0 HB3 PRO A 164 -2.171 15.210 -4.814 1.00 0.65 H new ATOM 0 HG2 PRO A 164 -3.911 17.402 -3.697 1.00 0.80 H new ATOM 0 HG3 PRO A 164 -3.939 16.683 -5.295 1.00 0.80 H new ATOM 0 HD2 PRO A 164 -5.654 15.944 -3.231 1.00 0.53 H new ATOM 0 HD3 PRO A 164 -5.284 14.921 -4.604 1.00 0.53 H new ATOM 685 N VAL A 165 -1.373 15.673 -0.838 1.00 0.52 N ATOM 686 CA VAL A 165 -1.170 16.028 0.553 1.00 0.50 C ATOM 687 C VAL A 165 0.243 16.548 0.791 1.00 0.49 C ATOM 688 O VAL A 165 1.183 16.170 0.090 1.00 0.47 O ATOM 689 CB VAL A 165 -1.394 14.788 1.447 1.00 0.50 C ATOM 690 CG1 VAL A 165 -0.352 13.719 1.137 1.00 1.31 C ATOM 691 CG2 VAL A 165 -1.368 15.147 2.927 1.00 1.15 C ATOM 0 H VAL A 165 -0.553 15.259 -1.281 1.00 0.52 H new ATOM 0 HA VAL A 165 -1.884 16.813 0.803 1.00 0.50 H new ATOM 0 HB VAL A 165 -2.385 14.393 1.225 1.00 0.50 H new ATOM 0 HG11 VAL A 165 -0.521 12.851 1.774 1.00 1.31 H new ATOM 0 HG12 VAL A 165 -0.434 13.423 0.091 1.00 1.31 H new ATOM 0 HG13 VAL A 165 0.645 14.118 1.324 1.00 1.31 H new ATOM 0 HG21 VAL A 165 -1.529 14.248 3.522 1.00 1.15 H new ATOM 0 HG22 VAL A 165 -0.400 15.581 3.179 1.00 1.15 H new ATOM 0 HG23 VAL A 165 -2.156 15.869 3.140 1.00 1.15 H new ATOM 701 N ASP A 166 0.369 17.399 1.797 1.00 0.62 N ATOM 702 CA ASP A 166 1.652 17.954 2.214 1.00 0.67 C ATOM 703 C ASP A 166 1.433 18.927 3.365 1.00 0.90 C ATOM 704 O ASP A 166 2.273 19.070 4.252 1.00 1.48 O ATOM 705 CB ASP A 166 2.356 18.637 1.034 1.00 0.62 C ATOM 706 CG ASP A 166 3.376 19.672 1.466 1.00 0.70 C ATOM 707 OD1 ASP A 166 4.551 19.301 1.690 1.00 0.90 O ATOM 708 OD2 ASP A 166 3.013 20.860 1.582 1.00 1.07 O ATOM 0 H ASP A 166 -0.421 17.728 2.353 1.00 0.62 H new ATOM 0 HA ASP A 166 2.299 17.147 2.557 1.00 0.67 H new ATOM 0 HB2 ASP A 166 2.851 17.879 0.427 1.00 0.62 H new ATOM 0 HB3 ASP A 166 1.609 19.115 0.400 1.00 0.62 H new ATOM 713 N GLN A 167 0.277 19.577 3.354 1.00 0.75 N ATOM 714 CA GLN A 167 -0.099 20.492 4.418 1.00 0.96 C ATOM 715 C GLN A 167 -0.468 19.734 5.692 1.00 0.87 C ATOM 716 O GLN A 167 -0.375 20.276 6.790 1.00 1.10 O ATOM 717 CB GLN A 167 -1.263 21.387 3.973 1.00 1.34 C ATOM 718 CG GLN A 167 -2.526 20.632 3.567 1.00 1.50 C ATOM 719 CD GLN A 167 -2.419 19.925 2.222 1.00 2.16 C ATOM 720 OE1 GLN A 167 -3.032 18.884 2.011 1.00 2.71 O ATOM 721 NE2 GLN A 167 -1.636 20.476 1.307 1.00 2.72 N ATOM 0 H GLN A 167 -0.419 19.485 2.614 1.00 0.75 H new ATOM 0 HA GLN A 167 0.763 21.123 4.637 1.00 0.96 H new ATOM 0 HB2 GLN A 167 -1.510 22.071 4.785 1.00 1.34 H new ATOM 0 HB3 GLN A 167 -0.934 21.997 3.132 1.00 1.34 H new ATOM 0 HG2 GLN A 167 -2.760 19.895 4.336 1.00 1.50 H new ATOM 0 HG3 GLN A 167 -3.361 21.332 3.533 1.00 1.50 H new ATOM 0 HE21 GLN A 167 -1.140 21.343 1.515 1.00 2.72 H new ATOM 0 HE22 GLN A 167 -1.529 20.034 0.394 1.00 2.72 H new ATOM 730 N TYR A 168 -0.891 18.483 5.544 1.00 0.82 N ATOM 731 CA TYR A 168 -1.204 17.650 6.696 1.00 0.92 C ATOM 732 C TYR A 168 0.085 17.051 7.240 1.00 0.95 C ATOM 733 O TYR A 168 0.803 16.365 6.522 1.00 1.61 O ATOM 734 CB TYR A 168 -2.204 16.552 6.324 1.00 1.02 C ATOM 735 CG TYR A 168 -3.510 17.091 5.780 1.00 1.24 C ATOM 736 CD1 TYR A 168 -4.413 17.747 6.610 1.00 1.62 C ATOM 737 CD2 TYR A 168 -3.835 16.954 4.438 1.00 2.02 C ATOM 738 CE1 TYR A 168 -5.601 18.252 6.114 1.00 2.11 C ATOM 739 CE2 TYR A 168 -5.020 17.452 3.936 1.00 2.63 C ATOM 740 CZ TYR A 168 -5.898 18.100 4.775 1.00 2.50 C ATOM 741 OH TYR A 168 -7.073 18.606 4.268 1.00 3.21 O ATOM 0 H TYR A 168 -1.024 18.027 4.642 1.00 0.82 H new ATOM 0 HA TYR A 168 -1.670 18.264 7.467 1.00 0.92 H new ATOM 0 HB2 TYR A 168 -1.752 15.895 5.581 1.00 1.02 H new ATOM 0 HB3 TYR A 168 -2.409 15.943 7.205 1.00 1.02 H new ATOM 0 HD1 TYR A 168 -4.183 17.864 7.659 1.00 1.62 H new ATOM 0 HD2 TYR A 168 -3.149 16.449 3.775 1.00 2.02 H new ATOM 0 HE1 TYR A 168 -6.291 18.762 6.770 1.00 2.11 H new ATOM 0 HE2 TYR A 168 -5.258 17.334 2.889 1.00 2.63 H new ATOM 0 HH TYR A 168 -7.337 19.397 4.782 1.00 3.21 H new ATOM 751 N SER A 169 0.357 17.307 8.509 1.00 1.17 N ATOM 752 CA SER A 169 1.672 17.049 9.082 1.00 1.17 C ATOM 753 C SER A 169 1.862 15.575 9.450 1.00 1.05 C ATOM 754 O SER A 169 2.959 15.032 9.307 1.00 1.12 O ATOM 755 CB SER A 169 1.875 17.936 10.315 1.00 1.40 C ATOM 756 OG SER A 169 3.223 17.922 10.750 1.00 1.94 O ATOM 0 H SER A 169 -0.318 17.696 9.167 1.00 1.17 H new ATOM 0 HA SER A 169 2.420 17.289 8.327 1.00 1.17 H new ATOM 0 HB2 SER A 169 1.578 18.958 10.082 1.00 1.40 H new ATOM 0 HB3 SER A 169 1.228 17.592 11.122 1.00 1.40 H new ATOM 0 HG SER A 169 3.319 18.499 11.537 1.00 1.94 H new ATOM 762 N ASN A 170 0.804 14.927 9.925 1.00 0.98 N ATOM 763 CA ASN A 170 0.901 13.538 10.372 1.00 0.89 C ATOM 764 C ASN A 170 0.831 12.593 9.187 1.00 0.68 C ATOM 765 O ASN A 170 -0.254 12.273 8.690 1.00 0.75 O ATOM 766 CB ASN A 170 -0.205 13.215 11.380 1.00 1.08 C ATOM 767 CG ASN A 170 -0.077 14.021 12.656 1.00 1.74 C ATOM 768 OD1 ASN A 170 -0.606 15.129 12.765 1.00 2.20 O ATOM 769 ND2 ASN A 170 0.632 13.474 13.629 1.00 2.25 N ATOM 0 H ASN A 170 -0.126 15.336 10.011 1.00 0.98 H new ATOM 0 HA ASN A 170 1.864 13.404 10.866 1.00 0.89 H new ATOM 0 HB2 ASN A 170 -1.176 13.412 10.925 1.00 1.08 H new ATOM 0 HB3 ASN A 170 -0.175 12.152 11.620 1.00 1.08 H new ATOM 0 HD21 ASN A 170 0.757 13.972 14.510 1.00 2.25 H new ATOM 0 HD22 ASN A 170 1.053 12.554 13.498 1.00 2.25 H new ATOM 776 N GLN A 171 1.996 12.134 8.746 1.00 0.63 N ATOM 777 CA GLN A 171 2.089 11.391 7.504 1.00 0.56 C ATOM 778 C GLN A 171 1.549 9.974 7.642 1.00 0.47 C ATOM 779 O GLN A 171 0.938 9.457 6.720 1.00 0.60 O ATOM 780 CB GLN A 171 3.533 11.380 6.966 1.00 0.86 C ATOM 781 CG GLN A 171 4.479 10.342 7.570 1.00 0.71 C ATOM 782 CD GLN A 171 4.878 10.618 9.007 1.00 1.11 C ATOM 783 OE1 GLN A 171 5.821 11.361 9.268 1.00 1.63 O ATOM 784 NE2 GLN A 171 4.205 9.977 9.946 1.00 1.41 N ATOM 0 H GLN A 171 2.884 12.265 9.231 1.00 0.63 H new ATOM 0 HA GLN A 171 1.460 11.907 6.779 1.00 0.56 H new ATOM 0 HB2 GLN A 171 3.494 11.220 5.889 1.00 0.86 H new ATOM 0 HB3 GLN A 171 3.964 12.368 7.126 1.00 0.86 H new ATOM 0 HG2 GLN A 171 4.004 9.362 7.520 1.00 0.71 H new ATOM 0 HG3 GLN A 171 5.380 10.291 6.959 1.00 0.71 H new ATOM 0 HE21 GLN A 171 3.427 9.368 9.691 1.00 1.41 H new ATOM 0 HE22 GLN A 171 4.463 10.091 10.926 1.00 1.41 H new ATOM 793 N ASN A 172 1.721 9.360 8.803 1.00 0.47 N ATOM 794 CA ASN A 172 1.355 7.954 8.956 1.00 0.49 C ATOM 795 C ASN A 172 -0.145 7.792 9.104 1.00 0.42 C ATOM 796 O ASN A 172 -0.687 6.727 8.831 1.00 0.52 O ATOM 797 CB ASN A 172 2.073 7.291 10.138 1.00 0.65 C ATOM 798 CG ASN A 172 1.869 8.004 11.466 1.00 1.19 C ATOM 799 OD1 ASN A 172 0.883 8.706 11.678 1.00 1.88 O ATOM 800 ND2 ASN A 172 2.808 7.825 12.376 1.00 1.56 N ATOM 0 H ASN A 172 2.104 9.800 9.640 1.00 0.47 H new ATOM 0 HA ASN A 172 1.678 7.449 8.045 1.00 0.49 H new ATOM 0 HB2 ASN A 172 1.723 6.263 10.232 1.00 0.65 H new ATOM 0 HB3 ASN A 172 3.140 7.246 9.922 1.00 0.65 H new ATOM 0 HD21 ASN A 172 2.728 8.276 13.287 1.00 1.56 H new ATOM 0 HD22 ASN A 172 3.614 7.236 12.168 1.00 1.56 H new ATOM 807 N SER A 173 -0.806 8.852 9.525 1.00 0.41 N ATOM 808 CA SER A 173 -2.238 8.820 9.718 1.00 0.46 C ATOM 809 C SER A 173 -2.943 8.931 8.375 1.00 0.37 C ATOM 810 O SER A 173 -3.807 8.120 8.048 1.00 0.36 O ATOM 811 CB SER A 173 -2.665 9.950 10.657 1.00 0.60 C ATOM 812 OG SER A 173 -4.068 9.943 10.868 1.00 0.74 O ATOM 0 H SER A 173 -0.370 9.749 9.740 1.00 0.41 H new ATOM 0 HA SER A 173 -2.520 7.872 10.176 1.00 0.46 H new ATOM 0 HB2 SER A 173 -2.151 9.845 11.612 1.00 0.60 H new ATOM 0 HB3 SER A 173 -2.363 10.909 10.236 1.00 0.60 H new ATOM 0 HG SER A 173 -4.311 10.675 11.473 1.00 0.74 H new ATOM 818 N PHE A 174 -2.553 9.932 7.597 1.00 0.33 N ATOM 819 CA PHE A 174 -3.103 10.126 6.264 1.00 0.32 C ATOM 820 C PHE A 174 -2.722 8.960 5.357 1.00 0.24 C ATOM 821 O PHE A 174 -3.531 8.479 4.566 1.00 0.30 O ATOM 822 CB PHE A 174 -2.592 11.446 5.677 1.00 0.40 C ATOM 823 CG PHE A 174 -2.939 11.649 4.229 1.00 0.61 C ATOM 824 CD1 PHE A 174 -2.113 11.169 3.225 1.00 0.99 C ATOM 825 CD2 PHE A 174 -4.095 12.323 3.875 1.00 1.12 C ATOM 826 CE1 PHE A 174 -2.436 11.361 1.894 1.00 1.29 C ATOM 827 CE2 PHE A 174 -4.420 12.518 2.553 1.00 1.41 C ATOM 828 CZ PHE A 174 -3.565 12.012 1.550 1.00 1.33 C ATOM 0 H PHE A 174 -1.855 10.624 7.869 1.00 0.33 H new ATOM 0 HA PHE A 174 -4.190 10.167 6.333 1.00 0.32 H new ATOM 0 HB2 PHE A 174 -3.003 12.272 6.257 1.00 0.40 H new ATOM 0 HB3 PHE A 174 -1.508 11.486 5.789 1.00 0.40 H new ATOM 0 HD1 PHE A 174 -1.208 10.640 3.485 1.00 0.99 H new ATOM 0 HD2 PHE A 174 -4.750 12.700 4.646 1.00 1.12 H new ATOM 0 HE1 PHE A 174 -1.778 10.986 1.124 1.00 1.29 H new ATOM 0 HE2 PHE A 174 -5.319 13.052 2.285 1.00 1.41 H new ATOM 0 HZ PHE A 174 -3.815 12.146 0.508 1.00 1.33 H new ATOM 838 N VAL A 175 -1.485 8.510 5.486 1.00 0.20 N ATOM 839 CA VAL A 175 -0.975 7.440 4.650 1.00 0.20 C ATOM 840 C VAL A 175 -1.632 6.098 4.971 1.00 0.22 C ATOM 841 O VAL A 175 -2.338 5.550 4.139 1.00 0.25 O ATOM 842 CB VAL A 175 0.546 7.332 4.786 1.00 0.28 C ATOM 843 CG1 VAL A 175 1.019 5.944 4.435 1.00 0.33 C ATOM 844 CG2 VAL A 175 1.225 8.366 3.905 1.00 0.41 C ATOM 0 H VAL A 175 -0.815 8.872 6.164 1.00 0.20 H new ATOM 0 HA VAL A 175 -1.225 7.689 3.619 1.00 0.20 H new ATOM 0 HB VAL A 175 0.814 7.527 5.824 1.00 0.28 H new ATOM 0 HG11 VAL A 175 2.103 5.892 4.539 1.00 0.33 H new ATOM 0 HG12 VAL A 175 0.555 5.221 5.106 1.00 0.33 H new ATOM 0 HG13 VAL A 175 0.742 5.714 3.406 1.00 0.33 H new ATOM 0 HG21 VAL A 175 2.306 8.280 4.010 1.00 0.41 H new ATOM 0 HG22 VAL A 175 0.947 8.197 2.865 1.00 0.41 H new ATOM 0 HG23 VAL A 175 0.910 9.365 4.207 1.00 0.41 H new ATOM 854 N HIS A 176 -1.378 5.549 6.157 1.00 0.26 N ATOM 855 CA HIS A 176 -2.121 4.361 6.612 1.00 0.33 C ATOM 856 C HIS A 176 -3.638 4.459 6.301 1.00 0.30 C ATOM 857 O HIS A 176 -4.295 3.440 6.119 1.00 0.32 O ATOM 858 CB HIS A 176 -1.905 4.113 8.107 1.00 0.46 C ATOM 859 CG HIS A 176 -2.224 2.707 8.530 1.00 0.73 C ATOM 860 ND1 HIS A 176 -1.260 1.736 8.701 1.00 0.97 N ATOM 861 CD2 HIS A 176 -3.406 2.109 8.811 1.00 1.40 C ATOM 862 CE1 HIS A 176 -1.834 0.606 9.068 1.00 1.32 C ATOM 863 NE2 HIS A 176 -3.135 0.804 9.142 1.00 1.69 N ATOM 0 H HIS A 176 -0.679 5.895 6.814 1.00 0.26 H new ATOM 0 HA HIS A 176 -1.723 3.514 6.053 1.00 0.33 H new ATOM 0 HB2 HIS A 176 -0.868 4.334 8.358 1.00 0.46 H new ATOM 0 HB3 HIS A 176 -2.525 4.805 8.676 1.00 0.46 H new ATOM 0 HD1 HIS A 176 -0.258 1.870 8.565 1.00 0.97 H new ATOM 0 HD2 HIS A 176 -4.381 2.572 8.780 1.00 1.40 H new ATOM 0 HE1 HIS A 176 -1.324 -0.324 9.273 1.00 1.32 H new ATOM 872 N ASP A 177 -4.180 5.678 6.220 1.00 0.30 N ATOM 873 CA ASP A 177 -5.587 5.891 5.837 1.00 0.33 C ATOM 874 C ASP A 177 -5.815 5.512 4.383 1.00 0.28 C ATOM 875 O ASP A 177 -6.749 4.786 4.088 1.00 0.29 O ATOM 876 CB ASP A 177 -5.983 7.351 6.079 1.00 0.41 C ATOM 877 CG ASP A 177 -7.444 7.637 5.800 1.00 0.60 C ATOM 878 OD1 ASP A 177 -8.305 7.146 6.558 1.00 0.81 O ATOM 879 OD2 ASP A 177 -7.735 8.398 4.855 1.00 0.84 O ATOM 0 H ASP A 177 -3.667 6.538 6.415 1.00 0.30 H new ATOM 0 HA ASP A 177 -6.214 5.249 6.456 1.00 0.33 H new ATOM 0 HB2 ASP A 177 -5.761 7.612 7.114 1.00 0.41 H new ATOM 0 HB3 ASP A 177 -5.369 7.995 5.449 1.00 0.41 H new ATOM 884 N CYS A 178 -4.923 5.951 3.500 1.00 0.26 N ATOM 885 CA CYS A 178 -5.008 5.654 2.074 1.00 0.27 C ATOM 886 C CYS A 178 -5.033 4.144 1.860 1.00 0.24 C ATOM 887 O CYS A 178 -5.607 3.641 0.897 1.00 0.29 O ATOM 888 CB CYS A 178 -3.803 6.237 1.326 1.00 0.34 C ATOM 889 SG CYS A 178 -2.322 5.185 1.381 1.00 0.79 S ATOM 0 H CYS A 178 -4.119 6.524 3.754 1.00 0.26 H new ATOM 0 HA CYS A 178 -5.923 6.103 1.688 1.00 0.27 H new ATOM 0 HB2 CYS A 178 -4.080 6.403 0.285 1.00 0.34 H new ATOM 0 HB3 CYS A 178 -3.561 7.211 1.751 1.00 0.34 H new ATOM 894 N VAL A 179 -4.379 3.428 2.763 1.00 0.23 N ATOM 895 CA VAL A 179 -4.349 1.988 2.709 1.00 0.22 C ATOM 896 C VAL A 179 -5.578 1.393 3.383 1.00 0.22 C ATOM 897 O VAL A 179 -6.041 0.319 3.006 1.00 0.22 O ATOM 898 CB VAL A 179 -3.073 1.434 3.351 1.00 0.21 C ATOM 899 CG1 VAL A 179 -1.979 2.477 3.364 1.00 0.21 C ATOM 900 CG2 VAL A 179 -3.333 0.888 4.736 1.00 0.24 C ATOM 0 H VAL A 179 -3.861 3.831 3.544 1.00 0.23 H new ATOM 0 HA VAL A 179 -4.355 1.700 1.658 1.00 0.22 H new ATOM 0 HB VAL A 179 -2.733 0.599 2.739 1.00 0.21 H new ATOM 0 HG11 VAL A 179 -1.084 2.059 3.825 1.00 0.21 H new ATOM 0 HG12 VAL A 179 -1.753 2.780 2.342 1.00 0.21 H new ATOM 0 HG13 VAL A 179 -2.310 3.344 3.935 1.00 0.21 H new ATOM 0 HG21 VAL A 179 -2.403 0.505 5.157 1.00 0.24 H new ATOM 0 HG22 VAL A 179 -3.719 1.683 5.374 1.00 0.24 H new ATOM 0 HG23 VAL A 179 -4.064 0.082 4.678 1.00 0.24 H new ATOM 910 N ASN A 180 -6.127 2.108 4.362 1.00 0.25 N ATOM 911 CA ASN A 180 -7.410 1.734 4.943 1.00 0.27 C ATOM 912 C ASN A 180 -8.489 1.906 3.890 1.00 0.27 C ATOM 913 O ASN A 180 -9.671 1.685 4.140 1.00 0.30 O ATOM 914 CB ASN A 180 -7.746 2.576 6.176 1.00 0.31 C ATOM 915 CG ASN A 180 -6.866 2.268 7.371 1.00 0.77 C ATOM 916 OD1 ASN A 180 -6.327 1.167 7.502 1.00 1.41 O ATOM 917 ND2 ASN A 180 -6.739 3.233 8.266 1.00 1.30 N ATOM 0 H ASN A 180 -5.705 2.944 4.766 1.00 0.25 H new ATOM 0 HA ASN A 180 -7.353 0.695 5.267 1.00 0.27 H new ATOM 0 HB2 ASN A 180 -7.648 3.632 5.924 1.00 0.31 H new ATOM 0 HB3 ASN A 180 -8.788 2.409 6.448 1.00 0.31 H new ATOM 0 HD21 ASN A 180 -6.178 3.081 9.104 1.00 1.30 H new ATOM 0 HD22 ASN A 180 -7.202 4.130 8.118 1.00 1.30 H new ATOM 924 N ILE A 181 -8.063 2.431 2.752 1.00 0.25 N ATOM 925 CA ILE A 181 -8.826 2.398 1.519 1.00 0.29 C ATOM 926 C ILE A 181 -8.324 1.284 0.587 1.00 0.27 C ATOM 927 O ILE A 181 -9.110 0.551 0.017 1.00 0.36 O ATOM 928 CB ILE A 181 -8.699 3.735 0.787 1.00 0.35 C ATOM 929 CG1 ILE A 181 -8.305 4.816 1.765 1.00 0.49 C ATOM 930 CG2 ILE A 181 -9.997 4.122 0.145 1.00 0.40 C ATOM 931 CD1 ILE A 181 -9.448 5.327 2.620 1.00 1.14 C ATOM 0 H ILE A 181 -7.162 2.899 2.660 1.00 0.25 H new ATOM 0 HA ILE A 181 -9.867 2.207 1.780 1.00 0.29 H new ATOM 0 HB ILE A 181 -7.938 3.624 0.015 1.00 0.35 H new ATOM 0 HG12 ILE A 181 -7.521 4.432 2.418 1.00 0.49 H new ATOM 0 HG13 ILE A 181 -7.878 5.652 1.212 1.00 0.49 H new ATOM 0 HG21 ILE A 181 -9.879 5.076 -0.368 1.00 0.40 H new ATOM 0 HG22 ILE A 181 -10.290 3.357 -0.574 1.00 0.40 H new ATOM 0 HG23 ILE A 181 -10.768 4.215 0.910 1.00 0.40 H new ATOM 0 HD11 ILE A 181 -9.080 6.100 3.294 1.00 1.14 H new ATOM 0 HD12 ILE A 181 -10.224 5.744 1.978 1.00 1.14 H new ATOM 0 HD13 ILE A 181 -9.862 4.504 3.203 1.00 1.14 H new ATOM 943 N THR A 182 -6.999 1.156 0.473 1.00 0.20 N ATOM 944 CA THR A 182 -6.363 0.317 -0.553 1.00 0.20 C ATOM 945 C THR A 182 -6.473 -1.153 -0.251 1.00 0.24 C ATOM 946 O THR A 182 -7.060 -1.924 -1.018 1.00 0.26 O ATOM 947 CB THR A 182 -4.864 0.632 -0.720 1.00 0.20 C ATOM 948 OG1 THR A 182 -4.713 1.872 -1.375 1.00 0.22 O ATOM 949 CG2 THR A 182 -4.165 -0.436 -1.548 1.00 0.26 C ATOM 0 H THR A 182 -6.336 1.629 1.087 1.00 0.20 H new ATOM 0 HA THR A 182 -6.905 0.551 -1.469 1.00 0.20 H new ATOM 0 HB THR A 182 -4.416 0.662 0.273 1.00 0.20 H new ATOM 0 HG1 THR A 182 -4.923 2.599 -0.752 1.00 0.22 H new ATOM 0 HG21 THR A 182 -3.109 -0.186 -1.648 1.00 0.26 H new ATOM 0 HG22 THR A 182 -4.263 -1.402 -1.053 1.00 0.26 H new ATOM 0 HG23 THR A 182 -4.621 -0.486 -2.537 1.00 0.26 H new ATOM 957 N VAL A 183 -5.877 -1.528 0.867 1.00 0.28 N ATOM 958 CA VAL A 183 -5.778 -2.913 1.266 1.00 0.36 C ATOM 959 C VAL A 183 -7.171 -3.494 1.328 1.00 0.44 C ATOM 960 O VAL A 183 -7.393 -4.670 1.088 1.00 0.74 O ATOM 961 CB VAL A 183 -5.061 -3.032 2.630 1.00 0.34 C ATOM 962 CG1 VAL A 183 -4.074 -1.904 2.802 1.00 0.26 C ATOM 963 CG2 VAL A 183 -6.036 -3.073 3.799 1.00 0.40 C ATOM 0 H VAL A 183 -5.448 -0.875 1.523 1.00 0.28 H new ATOM 0 HA VAL A 183 -5.187 -3.471 0.540 1.00 0.36 H new ATOM 0 HB VAL A 183 -4.525 -3.981 2.631 1.00 0.34 H new ATOM 0 HG11 VAL A 183 -3.576 -2.000 3.767 1.00 0.26 H new ATOM 0 HG12 VAL A 183 -3.332 -1.945 2.005 1.00 0.26 H new ATOM 0 HG13 VAL A 183 -4.600 -0.950 2.759 1.00 0.26 H new ATOM 0 HG21 VAL A 183 -5.481 -3.157 4.733 1.00 0.40 H new ATOM 0 HG22 VAL A 183 -6.629 -2.159 3.810 1.00 0.40 H new ATOM 0 HG23 VAL A 183 -6.697 -3.933 3.691 1.00 0.40 H new ATOM 973 N LYS A 184 -8.103 -2.595 1.567 1.00 0.32 N ATOM 974 CA LYS A 184 -9.507 -2.903 1.654 1.00 0.34 C ATOM 975 C LYS A 184 -9.994 -3.562 0.394 1.00 0.35 C ATOM 976 O LYS A 184 -10.245 -4.759 0.329 1.00 0.37 O ATOM 977 CB LYS A 184 -10.253 -1.594 1.812 1.00 0.38 C ATOM 978 CG LYS A 184 -9.822 -0.845 3.030 1.00 0.43 C ATOM 979 CD LYS A 184 -10.417 -1.476 4.236 1.00 0.76 C ATOM 980 CE LYS A 184 -9.532 -1.328 5.463 1.00 0.60 C ATOM 981 NZ LYS A 184 -10.164 -1.918 6.672 1.00 1.00 N ATOM 0 H LYS A 184 -7.895 -1.607 1.709 1.00 0.32 H new ATOM 0 HA LYS A 184 -9.674 -3.578 2.493 1.00 0.34 H new ATOM 0 HB2 LYS A 184 -10.089 -0.975 0.930 1.00 0.38 H new ATOM 0 HB3 LYS A 184 -11.323 -1.792 1.869 1.00 0.38 H new ATOM 0 HG2 LYS A 184 -8.735 -0.846 3.105 1.00 0.43 H new ATOM 0 HG3 LYS A 184 -10.135 0.197 2.959 1.00 0.43 H new ATOM 0 HD2 LYS A 184 -11.389 -1.026 4.436 1.00 0.76 H new ATOM 0 HD3 LYS A 184 -10.590 -2.534 4.041 1.00 0.76 H new ATOM 0 HE2 LYS A 184 -8.573 -1.813 5.280 1.00 0.60 H new ATOM 0 HE3 LYS A 184 -9.327 -0.272 5.638 1.00 0.60 H new ATOM 0 HZ1 LYS A 184 -9.531 -1.798 7.488 1.00 1.00 H new ATOM 0 HZ2 LYS A 184 -11.067 -1.438 6.861 1.00 1.00 H new ATOM 0 HZ3 LYS A 184 -10.337 -2.931 6.514 1.00 1.00 H new ATOM 995 N GLN A 185 -10.003 -2.762 -0.632 1.00 0.38 N ATOM 996 CA GLN A 185 -10.605 -3.105 -1.891 1.00 0.49 C ATOM 997 C GLN A 185 -9.925 -4.333 -2.467 1.00 0.51 C ATOM 998 O GLN A 185 -10.526 -5.110 -3.194 1.00 0.64 O ATOM 999 CB GLN A 185 -10.452 -1.885 -2.795 1.00 0.60 C ATOM 1000 CG GLN A 185 -10.635 -0.596 -2.005 1.00 0.78 C ATOM 1001 CD GLN A 185 -12.049 -0.385 -1.492 1.00 1.38 C ATOM 1002 OE1 GLN A 185 -13.028 -0.802 -2.107 1.00 1.83 O ATOM 1003 NE2 GLN A 185 -12.157 0.268 -0.345 1.00 2.13 N ATOM 0 H GLN A 185 -9.583 -1.832 -0.618 1.00 0.38 H new ATOM 0 HA GLN A 185 -11.661 -3.355 -1.786 1.00 0.49 H new ATOM 0 HB2 GLN A 185 -9.466 -1.894 -3.261 1.00 0.60 H new ATOM 0 HB3 GLN A 185 -11.185 -1.930 -3.600 1.00 0.60 H new ATOM 0 HG2 GLN A 185 -9.948 -0.600 -1.158 1.00 0.78 H new ATOM 0 HG3 GLN A 185 -10.358 0.248 -2.636 1.00 0.78 H new ATOM 0 HE21 GLN A 185 -11.320 0.598 0.135 1.00 2.13 H new ATOM 0 HE22 GLN A 185 -13.078 0.441 0.059 1.00 2.13 H new ATOM 1012 N HIS A 186 -8.675 -4.519 -2.071 1.00 0.45 N ATOM 1013 CA HIS A 186 -7.833 -5.555 -2.632 1.00 0.54 C ATOM 1014 C HIS A 186 -7.742 -6.839 -1.799 1.00 0.69 C ATOM 1015 O HIS A 186 -7.186 -7.826 -2.263 1.00 1.31 O ATOM 1016 CB HIS A 186 -6.451 -4.986 -2.876 1.00 0.49 C ATOM 1017 CG HIS A 186 -6.286 -4.510 -4.277 1.00 0.53 C ATOM 1018 ND1 HIS A 186 -5.825 -5.311 -5.295 1.00 0.68 N ATOM 1019 CD2 HIS A 186 -6.567 -3.313 -4.838 1.00 0.54 C ATOM 1020 CE1 HIS A 186 -5.835 -4.628 -6.424 1.00 0.72 C ATOM 1021 NE2 HIS A 186 -6.278 -3.413 -6.172 1.00 0.66 N ATOM 0 H HIS A 186 -8.220 -3.955 -1.353 1.00 0.45 H new ATOM 0 HA HIS A 186 -8.306 -5.862 -3.565 1.00 0.54 H new ATOM 0 HB2 HIS A 186 -6.272 -4.159 -2.188 1.00 0.49 H new ATOM 0 HB3 HIS A 186 -5.702 -5.748 -2.661 1.00 0.49 H new ATOM 0 HD1 HIS A 186 -5.523 -6.280 -5.194 1.00 0.68 H new ATOM 0 HD2 HIS A 186 -6.948 -2.440 -4.329 1.00 0.54 H new ATOM 0 HE1 HIS A 186 -5.531 -5.002 -7.391 1.00 0.72 H new ATOM 1030 N THR A 187 -8.293 -6.858 -0.605 1.00 0.38 N ATOM 1031 CA THR A 187 -8.125 -8.018 0.263 1.00 0.45 C ATOM 1032 C THR A 187 -9.448 -8.456 0.881 1.00 0.54 C ATOM 1033 O THR A 187 -9.537 -9.515 1.500 1.00 0.83 O ATOM 1034 CB THR A 187 -7.063 -7.761 1.369 1.00 0.57 C ATOM 1035 OG1 THR A 187 -6.452 -8.997 1.753 1.00 1.63 O ATOM 1036 CG2 THR A 187 -7.661 -7.099 2.608 1.00 0.88 C ATOM 0 H THR A 187 -8.853 -6.101 -0.212 1.00 0.38 H new ATOM 0 HA THR A 187 -7.763 -8.831 -0.367 1.00 0.45 H new ATOM 0 HB THR A 187 -6.323 -7.081 0.948 1.00 0.57 H new ATOM 0 HG1 THR A 187 -6.373 -9.580 0.969 1.00 1.63 H new ATOM 0 HG21 THR A 187 -6.878 -6.941 3.350 1.00 0.88 H new ATOM 0 HG22 THR A 187 -8.098 -6.139 2.332 1.00 0.88 H new ATOM 0 HG23 THR A 187 -8.434 -7.743 3.027 1.00 0.88 H new ATOM 1044 N VAL A 188 -10.496 -7.674 0.659 1.00 0.41 N ATOM 1045 CA VAL A 188 -11.769 -7.930 1.316 1.00 0.46 C ATOM 1046 C VAL A 188 -12.764 -8.546 0.345 1.00 0.45 C ATOM 1047 O VAL A 188 -13.860 -8.962 0.714 1.00 0.57 O ATOM 1048 CB VAL A 188 -12.357 -6.652 1.934 1.00 0.51 C ATOM 1049 CG1 VAL A 188 -11.277 -5.927 2.718 1.00 0.53 C ATOM 1050 CG2 VAL A 188 -12.965 -5.754 0.871 1.00 0.49 C ATOM 0 H VAL A 188 -10.490 -6.866 0.036 1.00 0.41 H new ATOM 0 HA VAL A 188 -11.579 -8.637 2.123 1.00 0.46 H new ATOM 0 HB VAL A 188 -13.163 -6.927 2.615 1.00 0.51 H new ATOM 0 HG11 VAL A 188 -11.693 -5.020 3.157 1.00 0.53 H new ATOM 0 HG12 VAL A 188 -10.905 -6.576 3.511 1.00 0.53 H new ATOM 0 HG13 VAL A 188 -10.457 -5.664 2.050 1.00 0.53 H new ATOM 0 HG21 VAL A 188 -13.372 -4.859 1.341 1.00 0.49 H new ATOM 0 HG22 VAL A 188 -12.197 -5.469 0.152 1.00 0.49 H new ATOM 0 HG23 VAL A 188 -13.763 -6.289 0.356 1.00 0.49 H new ATOM 1060 N THR A 189 -12.355 -8.575 -0.906 1.00 0.38 N ATOM 1061 CA THR A 189 -13.101 -9.217 -1.969 1.00 0.41 C ATOM 1062 C THR A 189 -12.122 -9.641 -3.038 1.00 0.34 C ATOM 1063 O THR A 189 -12.134 -10.775 -3.515 1.00 0.35 O ATOM 1064 CB THR A 189 -14.162 -8.286 -2.583 1.00 0.50 C ATOM 1065 OG1 THR A 189 -15.197 -8.027 -1.626 1.00 0.64 O ATOM 1066 CG2 THR A 189 -14.749 -8.902 -3.845 1.00 0.51 C ATOM 0 H THR A 189 -11.483 -8.148 -1.218 1.00 0.38 H new ATOM 0 HA THR A 189 -13.630 -10.074 -1.552 1.00 0.41 H new ATOM 0 HB THR A 189 -13.686 -7.343 -2.853 1.00 0.50 H new ATOM 0 HG1 THR A 189 -14.955 -8.429 -0.766 1.00 0.64 H new ATOM 0 HG21 THR A 189 -15.497 -8.229 -4.264 1.00 0.51 H new ATOM 0 HG22 THR A 189 -13.955 -9.062 -4.575 1.00 0.51 H new ATOM 0 HG23 THR A 189 -15.216 -9.856 -3.601 1.00 0.51 H new ATOM 1074 N THR A 190 -11.252 -8.707 -3.376 1.00 0.32 N ATOM 1075 CA THR A 190 -10.166 -8.949 -4.294 1.00 0.34 C ATOM 1076 C THR A 190 -9.257 -10.076 -3.806 1.00 0.34 C ATOM 1077 O THR A 190 -8.584 -10.722 -4.602 1.00 0.42 O ATOM 1078 CB THR A 190 -9.376 -7.654 -4.494 1.00 0.39 C ATOM 1079 OG1 THR A 190 -10.162 -6.739 -5.264 1.00 0.54 O ATOM 1080 CG2 THR A 190 -8.044 -7.886 -5.187 1.00 0.55 C ATOM 0 H THR A 190 -11.284 -7.753 -3.016 1.00 0.32 H new ATOM 0 HA THR A 190 -10.581 -9.269 -5.250 1.00 0.34 H new ATOM 0 HB THR A 190 -9.160 -7.243 -3.508 1.00 0.39 H new ATOM 0 HG1 THR A 190 -10.432 -5.985 -4.700 1.00 0.54 H new ATOM 0 HG21 THR A 190 -7.524 -6.935 -5.304 1.00 0.55 H new ATOM 0 HG22 THR A 190 -7.434 -8.561 -4.587 1.00 0.55 H new ATOM 0 HG23 THR A 190 -8.217 -8.328 -6.168 1.00 0.55 H new ATOM 1088 N THR A 191 -9.236 -10.331 -2.504 1.00 0.34 N ATOM 1089 CA THR A 191 -8.507 -11.484 -2.026 1.00 0.47 C ATOM 1090 C THR A 191 -9.445 -12.649 -1.722 1.00 0.35 C ATOM 1091 O THR A 191 -9.142 -13.795 -2.036 1.00 0.34 O ATOM 1092 CB THR A 191 -7.647 -11.210 -0.791 1.00 0.83 C ATOM 1093 OG1 THR A 191 -6.751 -10.118 -1.035 1.00 1.66 O ATOM 1094 CG2 THR A 191 -6.831 -12.442 -0.444 1.00 1.23 C ATOM 0 H THR A 191 -9.700 -9.773 -1.787 1.00 0.34 H new ATOM 0 HA THR A 191 -7.834 -11.742 -2.843 1.00 0.47 H new ATOM 0 HB THR A 191 -8.310 -10.957 0.036 1.00 0.83 H new ATOM 0 HG1 THR A 191 -7.121 -9.542 -1.737 1.00 1.66 H new ATOM 0 HG21 THR A 191 -6.221 -12.239 0.436 1.00 1.23 H new ATOM 0 HG22 THR A 191 -7.502 -13.276 -0.236 1.00 1.23 H new ATOM 0 HG23 THR A 191 -6.183 -12.697 -1.283 1.00 1.23 H new ATOM 1102 N THR A 192 -10.610 -12.353 -1.159 1.00 0.46 N ATOM 1103 CA THR A 192 -11.536 -13.395 -0.720 1.00 0.60 C ATOM 1104 C THR A 192 -12.175 -14.128 -1.899 1.00 0.59 C ATOM 1105 O THR A 192 -13.072 -14.949 -1.719 1.00 0.73 O ATOM 1106 CB THR A 192 -12.646 -12.817 0.169 1.00 0.76 C ATOM 1107 OG1 THR A 192 -13.265 -11.713 -0.490 1.00 0.69 O ATOM 1108 CG2 THR A 192 -12.098 -12.367 1.512 1.00 0.90 C ATOM 0 H THR A 192 -10.938 -11.401 -0.995 1.00 0.46 H new ATOM 0 HA THR A 192 -10.944 -14.107 -0.145 1.00 0.60 H new ATOM 0 HB THR A 192 -13.382 -13.602 0.346 1.00 0.76 H new ATOM 0 HG1 THR A 192 -13.909 -12.045 -1.150 1.00 0.69 H new ATOM 0 HG21 THR A 192 -12.908 -11.963 2.119 1.00 0.90 H new ATOM 0 HG22 THR A 192 -11.650 -13.218 2.026 1.00 0.90 H new ATOM 0 HG23 THR A 192 -11.342 -11.597 1.357 1.00 0.90 H new ATOM 1116 N LYS A 193 -11.693 -13.847 -3.103 1.00 0.51 N ATOM 1117 CA LYS A 193 -12.186 -14.510 -4.301 1.00 0.58 C ATOM 1118 C LYS A 193 -11.630 -15.928 -4.432 1.00 0.69 C ATOM 1119 O LYS A 193 -11.708 -16.550 -5.493 1.00 0.82 O ATOM 1120 CB LYS A 193 -11.883 -13.673 -5.557 1.00 0.53 C ATOM 1121 CG LYS A 193 -10.498 -13.029 -5.599 1.00 0.45 C ATOM 1122 CD LYS A 193 -9.387 -14.045 -5.774 1.00 0.53 C ATOM 1123 CE LYS A 193 -8.031 -13.365 -5.799 1.00 0.57 C ATOM 1124 NZ LYS A 193 -7.901 -12.415 -6.937 1.00 1.12 N ATOM 0 H LYS A 193 -10.958 -13.161 -3.275 1.00 0.51 H new ATOM 0 HA LYS A 193 -13.268 -14.596 -4.207 1.00 0.58 H new ATOM 0 HB2 LYS A 193 -11.995 -14.311 -6.433 1.00 0.53 H new ATOM 0 HB3 LYS A 193 -12.633 -12.886 -5.638 1.00 0.53 H new ATOM 0 HG2 LYS A 193 -10.460 -12.311 -6.418 1.00 0.45 H new ATOM 0 HG3 LYS A 193 -10.333 -12.471 -4.677 1.00 0.45 H new ATOM 0 HD2 LYS A 193 -9.420 -14.770 -4.960 1.00 0.53 H new ATOM 0 HD3 LYS A 193 -9.538 -14.599 -6.701 1.00 0.53 H new ATOM 0 HE2 LYS A 193 -7.877 -12.830 -4.862 1.00 0.57 H new ATOM 0 HE3 LYS A 193 -7.248 -14.121 -5.867 1.00 0.57 H new ATOM 0 HZ1 LYS A 193 -6.936 -12.465 -7.322 1.00 1.12 H new ATOM 0 HZ2 LYS A 193 -8.584 -12.667 -7.680 1.00 1.12 H new ATOM 0 HZ3 LYS A 193 -8.092 -11.448 -6.605 1.00 1.12 H new ATOM 1138 N GLY A 194 -11.085 -16.436 -3.340 1.00 0.70 N ATOM 1139 CA GLY A 194 -10.565 -17.789 -3.326 1.00 0.81 C ATOM 1140 C GLY A 194 -9.076 -17.787 -3.105 1.00 0.75 C ATOM 1141 O GLY A 194 -8.378 -18.759 -3.396 1.00 0.86 O ATOM 0 H GLY A 194 -10.992 -15.934 -2.457 1.00 0.70 H new ATOM 0 HA2 GLY A 194 -11.053 -18.363 -2.538 1.00 0.81 H new ATOM 0 HA3 GLY A 194 -10.796 -18.282 -4.270 1.00 0.81 H new ATOM 1145 N GLU A 195 -8.599 -16.671 -2.593 1.00 0.63 N ATOM 1146 CA GLU A 195 -7.196 -16.479 -2.324 1.00 0.60 C ATOM 1147 C GLU A 195 -6.978 -16.464 -0.819 1.00 0.59 C ATOM 1148 O GLU A 195 -7.908 -16.193 -0.059 1.00 0.63 O ATOM 1149 CB GLU A 195 -6.749 -15.165 -2.967 1.00 0.64 C ATOM 1150 CG GLU A 195 -5.256 -14.903 -2.888 1.00 0.72 C ATOM 1151 CD GLU A 195 -4.456 -15.955 -3.622 1.00 0.84 C ATOM 1152 OE1 GLU A 195 -4.176 -17.015 -3.027 1.00 1.29 O ATOM 1153 OE2 GLU A 195 -4.114 -15.730 -4.802 1.00 1.40 O ATOM 0 H GLU A 195 -9.181 -15.869 -2.352 1.00 0.63 H new ATOM 0 HA GLU A 195 -6.603 -17.290 -2.746 1.00 0.60 H new ATOM 0 HB2 GLU A 195 -7.050 -15.167 -4.015 1.00 0.64 H new ATOM 0 HB3 GLU A 195 -7.276 -14.341 -2.485 1.00 0.64 H new ATOM 0 HG2 GLU A 195 -5.037 -13.922 -3.310 1.00 0.72 H new ATOM 0 HG3 GLU A 195 -4.947 -14.877 -1.843 1.00 0.72 H new ATOM 1160 N ASN A 196 -5.767 -16.757 -0.387 1.00 0.64 N ATOM 1161 CA ASN A 196 -5.475 -16.811 1.034 1.00 0.69 C ATOM 1162 C ASN A 196 -4.756 -15.570 1.455 1.00 0.63 C ATOM 1163 O ASN A 196 -3.581 -15.388 1.150 1.00 0.80 O ATOM 1164 CB ASN A 196 -4.620 -18.021 1.403 1.00 0.91 C ATOM 1165 CG ASN A 196 -5.207 -19.332 0.917 1.00 1.07 C ATOM 1166 OD1 ASN A 196 -4.912 -19.788 -0.191 1.00 1.13 O ATOM 1167 ND2 ASN A 196 -6.042 -19.949 1.741 1.00 1.99 N ATOM 0 H ASN A 196 -4.973 -16.960 -0.994 1.00 0.64 H new ATOM 0 HA ASN A 196 -6.430 -16.896 1.552 1.00 0.69 H new ATOM 0 HB2 ASN A 196 -3.623 -17.897 0.980 1.00 0.91 H new ATOM 0 HB3 ASN A 196 -4.504 -18.060 2.486 1.00 0.91 H new ATOM 0 HD21 ASN A 196 -6.467 -20.835 1.467 1.00 1.99 H new ATOM 0 HD22 ASN A 196 -6.260 -19.538 2.649 1.00 1.99 H new ATOM 1174 N PHE A 197 -5.481 -14.702 2.122 1.00 0.54 N ATOM 1175 CA PHE A 197 -4.852 -13.618 2.815 1.00 0.53 C ATOM 1176 C PHE A 197 -4.851 -13.940 4.282 1.00 0.56 C ATOM 1177 O PHE A 197 -5.890 -14.116 4.927 1.00 0.68 O ATOM 1178 CB PHE A 197 -5.496 -12.261 2.528 1.00 0.52 C ATOM 1179 CG PHE A 197 -6.838 -12.052 3.146 1.00 1.12 C ATOM 1180 CD1 PHE A 197 -7.918 -12.765 2.677 1.00 1.63 C ATOM 1181 CD2 PHE A 197 -7.020 -11.151 4.180 1.00 1.49 C ATOM 1182 CE1 PHE A 197 -9.171 -12.594 3.230 1.00 2.36 C ATOM 1183 CE2 PHE A 197 -8.269 -10.971 4.740 1.00 2.19 C ATOM 1184 CZ PHE A 197 -9.312 -11.636 4.323 1.00 2.61 C ATOM 0 H PHE A 197 -6.498 -14.730 2.195 1.00 0.54 H new ATOM 0 HA PHE A 197 -3.829 -13.518 2.452 1.00 0.53 H new ATOM 0 HB2 PHE A 197 -4.826 -11.477 2.880 1.00 0.52 H new ATOM 0 HB3 PHE A 197 -5.588 -12.141 1.449 1.00 0.52 H new ATOM 0 HD1 PHE A 197 -7.783 -13.466 1.867 1.00 1.63 H new ATOM 0 HD2 PHE A 197 -6.179 -10.584 4.552 1.00 1.49 H new ATOM 0 HE1 PHE A 197 -10.021 -13.152 2.866 1.00 2.36 H new ATOM 0 HE2 PHE A 197 -8.386 -10.261 5.545 1.00 2.19 H new ATOM 0 HZ PHE A 197 -10.276 -11.478 4.785 1.00 2.61 H new ATOM 1194 N THR A 198 -3.668 -14.078 4.775 1.00 0.55 N ATOM 1195 CA THR A 198 -3.437 -14.475 6.104 1.00 0.60 C ATOM 1196 C THR A 198 -3.070 -13.244 6.916 1.00 0.52 C ATOM 1197 O THR A 198 -2.882 -12.188 6.342 1.00 0.43 O ATOM 1198 CB THR A 198 -2.346 -15.565 6.053 1.00 0.74 C ATOM 1199 OG1 THR A 198 -2.931 -16.820 5.685 1.00 1.12 O ATOM 1200 CG2 THR A 198 -1.583 -15.714 7.344 1.00 0.78 C ATOM 0 H THR A 198 -2.815 -13.910 4.241 1.00 0.55 H new ATOM 0 HA THR A 198 -4.309 -14.904 6.598 1.00 0.60 H new ATOM 0 HB THR A 198 -1.623 -15.246 5.302 1.00 0.74 H new ATOM 0 HG1 THR A 198 -2.443 -17.198 4.924 1.00 1.12 H new ATOM 0 HG21 THR A 198 -0.833 -16.497 7.235 1.00 0.78 H new ATOM 0 HG22 THR A 198 -1.091 -14.772 7.587 1.00 0.78 H new ATOM 0 HG23 THR A 198 -2.272 -15.980 8.145 1.00 0.78 H new ATOM 1208 N GLU A 199 -3.081 -13.338 8.236 1.00 0.59 N ATOM 1209 CA GLU A 199 -2.666 -12.218 9.083 1.00 0.63 C ATOM 1210 C GLU A 199 -1.316 -11.686 8.608 1.00 0.55 C ATOM 1211 O GLU A 199 -1.021 -10.487 8.696 1.00 0.53 O ATOM 1212 CB GLU A 199 -2.583 -12.639 10.548 1.00 0.82 C ATOM 1213 CG GLU A 199 -2.270 -11.487 11.487 1.00 1.14 C ATOM 1214 CD GLU A 199 -2.188 -11.923 12.930 1.00 2.11 C ATOM 1215 OE1 GLU A 199 -1.117 -12.399 13.354 1.00 2.91 O ATOM 1216 OE2 GLU A 199 -3.196 -11.788 13.651 1.00 2.55 O ATOM 0 H GLU A 199 -3.370 -14.172 8.748 1.00 0.59 H new ATOM 0 HA GLU A 199 -3.413 -11.428 9.003 1.00 0.63 H new ATOM 0 HB2 GLU A 199 -3.529 -13.092 10.843 1.00 0.82 H new ATOM 0 HB3 GLU A 199 -1.815 -13.405 10.656 1.00 0.82 H new ATOM 0 HG2 GLU A 199 -1.324 -11.031 11.194 1.00 1.14 H new ATOM 0 HG3 GLU A 199 -3.039 -10.721 11.385 1.00 1.14 H new ATOM 1223 N THR A 200 -0.506 -12.589 8.080 1.00 0.56 N ATOM 1224 CA THR A 200 0.725 -12.208 7.438 1.00 0.57 C ATOM 1225 C THR A 200 0.446 -11.365 6.196 1.00 0.44 C ATOM 1226 O THR A 200 1.134 -10.378 5.968 1.00 0.44 O ATOM 1227 CB THR A 200 1.563 -13.432 7.051 1.00 0.73 C ATOM 1228 OG1 THR A 200 1.731 -14.282 8.191 1.00 0.92 O ATOM 1229 CG2 THR A 200 2.922 -12.998 6.531 1.00 0.99 C ATOM 0 H THR A 200 -0.687 -13.593 8.087 1.00 0.56 H new ATOM 0 HA THR A 200 1.294 -11.617 8.156 1.00 0.57 H new ATOM 0 HB THR A 200 1.044 -13.979 6.264 1.00 0.73 H new ATOM 0 HG1 THR A 200 2.265 -15.064 7.940 1.00 0.92 H new ATOM 0 HG21 THR A 200 3.506 -13.878 6.260 1.00 0.99 H new ATOM 0 HG22 THR A 200 2.791 -12.365 5.653 1.00 0.99 H new ATOM 0 HG23 THR A 200 3.446 -12.439 7.306 1.00 0.99 H new ATOM 1237 N ASP A 201 -0.583 -11.735 5.419 1.00 0.41 N ATOM 1238 CA ASP A 201 -0.945 -10.982 4.213 1.00 0.36 C ATOM 1239 C ASP A 201 -1.288 -9.566 4.537 1.00 0.31 C ATOM 1240 O ASP A 201 -0.961 -8.636 3.806 1.00 0.34 O ATOM 1241 CB ASP A 201 -2.108 -11.567 3.436 1.00 0.45 C ATOM 1242 CG ASP A 201 -1.719 -12.806 2.669 1.00 0.92 C ATOM 1243 OD1 ASP A 201 -1.447 -13.847 3.302 1.00 1.27 O ATOM 1244 OD2 ASP A 201 -1.660 -12.721 1.427 1.00 1.49 O ATOM 0 H ASP A 201 -1.174 -12.545 5.604 1.00 0.41 H new ATOM 0 HA ASP A 201 -0.054 -11.041 3.588 1.00 0.36 H new ATOM 0 HB2 ASP A 201 -2.918 -11.808 4.125 1.00 0.45 H new ATOM 0 HB3 ASP A 201 -2.492 -10.819 2.743 1.00 0.45 H new ATOM 1249 N ILE A 202 -1.960 -9.424 5.635 1.00 0.30 N ATOM 1250 CA ILE A 202 -2.381 -8.143 6.112 1.00 0.32 C ATOM 1251 C ILE A 202 -1.189 -7.239 6.267 1.00 0.31 C ATOM 1252 O ILE A 202 -1.105 -6.197 5.640 1.00 0.34 O ATOM 1253 CB ILE A 202 -3.049 -8.301 7.459 1.00 0.41 C ATOM 1254 CG1 ILE A 202 -3.747 -9.647 7.494 1.00 0.48 C ATOM 1255 CG2 ILE A 202 -4.013 -7.167 7.717 1.00 0.54 C ATOM 1256 CD1 ILE A 202 -4.957 -9.755 6.583 1.00 0.53 C ATOM 0 H ILE A 202 -2.236 -10.203 6.233 1.00 0.30 H new ATOM 0 HA ILE A 202 -3.080 -7.711 5.396 1.00 0.32 H new ATOM 0 HB ILE A 202 -2.302 -8.264 8.252 1.00 0.41 H new ATOM 0 HG12 ILE A 202 -3.030 -10.421 7.218 1.00 0.48 H new ATOM 0 HG13 ILE A 202 -4.060 -9.853 8.518 1.00 0.48 H new ATOM 0 HG21 ILE A 202 -4.481 -7.302 8.692 1.00 0.54 H new ATOM 0 HG22 ILE A 202 -3.473 -6.220 7.702 1.00 0.54 H new ATOM 0 HG23 ILE A 202 -4.781 -7.159 6.943 1.00 0.54 H new ATOM 0 HD11 ILE A 202 -5.392 -10.750 6.673 1.00 0.53 H new ATOM 0 HD12 ILE A 202 -5.697 -9.008 6.871 1.00 0.53 H new ATOM 0 HD13 ILE A 202 -4.652 -9.584 5.551 1.00 0.53 H new ATOM 1268 N LYS A 203 -0.231 -7.687 7.055 1.00 0.32 N ATOM 1269 CA LYS A 203 0.915 -6.865 7.356 1.00 0.35 C ATOM 1270 C LYS A 203 1.716 -6.607 6.112 1.00 0.30 C ATOM 1271 O LYS A 203 1.902 -5.465 5.772 1.00 0.31 O ATOM 1272 CB LYS A 203 1.779 -7.482 8.446 1.00 0.44 C ATOM 1273 CG LYS A 203 2.052 -8.953 8.272 1.00 0.49 C ATOM 1274 CD LYS A 203 3.521 -9.279 8.478 1.00 0.61 C ATOM 1275 CE LYS A 203 4.395 -8.631 7.410 1.00 0.77 C ATOM 1276 NZ LYS A 203 5.833 -8.965 7.599 1.00 1.14 N ATOM 0 H LYS A 203 -0.226 -8.608 7.493 1.00 0.32 H new ATOM 0 HA LYS A 203 0.551 -5.911 7.737 1.00 0.35 H new ATOM 0 HB2 LYS A 203 2.730 -6.951 8.482 1.00 0.44 H new ATOM 0 HB3 LYS A 203 1.292 -7.328 9.409 1.00 0.44 H new ATOM 0 HG2 LYS A 203 1.450 -9.521 8.981 1.00 0.49 H new ATOM 0 HG3 LYS A 203 1.747 -9.264 7.273 1.00 0.49 H new ATOM 0 HD2 LYS A 203 3.836 -8.936 9.464 1.00 0.61 H new ATOM 0 HD3 LYS A 203 3.661 -10.360 8.457 1.00 0.61 H new ATOM 0 HE2 LYS A 203 4.071 -8.963 6.424 1.00 0.77 H new ATOM 0 HE3 LYS A 203 4.265 -7.549 7.441 1.00 0.77 H new ATOM 0 HZ1 LYS A 203 6.386 -8.578 6.808 1.00 1.14 H new ATOM 0 HZ2 LYS A 203 6.171 -8.553 8.492 1.00 1.14 H new ATOM 0 HZ3 LYS A 203 5.948 -9.998 7.629 1.00 1.14 H new ATOM 1290 N ILE A 204 2.143 -7.647 5.406 1.00 0.29 N ATOM 1291 CA ILE A 204 2.918 -7.451 4.195 1.00 0.28 C ATOM 1292 C ILE A 204 2.240 -6.461 3.279 1.00 0.24 C ATOM 1293 O ILE A 204 2.866 -5.556 2.783 1.00 0.27 O ATOM 1294 CB ILE A 204 3.103 -8.751 3.429 1.00 0.28 C ATOM 1295 CG1 ILE A 204 1.780 -9.464 3.425 1.00 0.26 C ATOM 1296 CG2 ILE A 204 4.199 -9.601 4.045 1.00 0.38 C ATOM 1297 CD1 ILE A 204 1.736 -10.732 2.629 1.00 0.28 C ATOM 0 H ILE A 204 1.967 -8.622 5.650 1.00 0.29 H new ATOM 0 HA ILE A 204 3.892 -7.073 4.507 1.00 0.28 H new ATOM 0 HB ILE A 204 3.419 -8.549 2.406 1.00 0.28 H new ATOM 0 HG12 ILE A 204 1.506 -9.692 4.455 1.00 0.26 H new ATOM 0 HG13 ILE A 204 1.021 -8.785 3.036 1.00 0.26 H new ATOM 0 HG21 ILE A 204 4.307 -10.524 3.475 1.00 0.38 H new ATOM 0 HG22 ILE A 204 5.140 -9.051 4.027 1.00 0.38 H new ATOM 0 HG23 ILE A 204 3.938 -9.840 5.076 1.00 0.38 H new ATOM 0 HD11 ILE A 204 0.738 -11.167 2.692 1.00 0.28 H new ATOM 0 HD12 ILE A 204 1.973 -10.516 1.587 1.00 0.28 H new ATOM 0 HD13 ILE A 204 2.465 -11.437 3.028 1.00 0.28 H new ATOM 1309 N MET A 205 0.951 -6.605 3.087 1.00 0.21 N ATOM 1310 CA MET A 205 0.258 -5.744 2.167 1.00 0.23 C ATOM 1311 C MET A 205 0.065 -4.347 2.720 1.00 0.22 C ATOM 1312 O MET A 205 0.477 -3.374 2.088 1.00 0.22 O ATOM 1313 CB MET A 205 -1.077 -6.329 1.785 1.00 0.29 C ATOM 1314 CG MET A 205 -2.141 -5.284 1.547 1.00 0.29 C ATOM 1315 SD MET A 205 -3.793 -5.976 1.653 1.00 0.41 S ATOM 1316 CE MET A 205 -3.641 -6.790 3.240 1.00 0.35 C ATOM 0 H MET A 205 0.369 -7.302 3.551 1.00 0.21 H new ATOM 0 HA MET A 205 0.886 -5.667 1.279 1.00 0.23 H new ATOM 0 HB2 MET A 205 -0.958 -6.929 0.883 1.00 0.29 H new ATOM 0 HB3 MET A 205 -1.410 -7.003 2.574 1.00 0.29 H new ATOM 0 HG2 MET A 205 -2.035 -4.484 2.280 1.00 0.29 H new ATOM 0 HG3 MET A 205 -1.997 -4.837 0.564 1.00 0.29 H new ATOM 0 HE1 MET A 205 -4.597 -6.752 3.762 1.00 0.35 H new ATOM 0 HE2 MET A 205 -3.351 -7.830 3.089 1.00 0.35 H new ATOM 0 HE3 MET A 205 -2.882 -6.285 3.837 1.00 0.35 H new ATOM 1326 N GLU A 206 -0.576 -4.245 3.882 1.00 0.23 N ATOM 1327 CA GLU A 206 -0.846 -2.952 4.473 1.00 0.25 C ATOM 1328 C GLU A 206 0.458 -2.223 4.638 1.00 0.24 C ATOM 1329 O GLU A 206 0.557 -1.051 4.337 1.00 0.26 O ATOM 1330 CB GLU A 206 -1.530 -3.075 5.835 1.00 0.29 C ATOM 1331 CG GLU A 206 -2.786 -3.926 5.837 1.00 0.37 C ATOM 1332 CD GLU A 206 -3.524 -3.828 7.158 1.00 0.57 C ATOM 1333 OE1 GLU A 206 -2.920 -4.137 8.205 1.00 1.25 O ATOM 1334 OE2 GLU A 206 -4.703 -3.412 7.160 1.00 1.00 O ATOM 0 H GLU A 206 -0.913 -5.041 4.424 1.00 0.23 H new ATOM 0 HA GLU A 206 -1.522 -2.407 3.814 1.00 0.25 H new ATOM 0 HB2 GLU A 206 -0.820 -3.497 6.546 1.00 0.29 H new ATOM 0 HB3 GLU A 206 -1.783 -2.076 6.191 1.00 0.29 H new ATOM 0 HG2 GLU A 206 -3.443 -3.608 5.028 1.00 0.37 H new ATOM 0 HG3 GLU A 206 -2.522 -4.966 5.643 1.00 0.37 H new ATOM 1341 N ARG A 207 1.466 -2.956 5.066 1.00 0.24 N ATOM 1342 CA ARG A 207 2.781 -2.396 5.260 1.00 0.25 C ATOM 1343 C ARG A 207 3.327 -1.854 3.942 1.00 0.26 C ATOM 1344 O ARG A 207 3.858 -0.754 3.914 1.00 0.35 O ATOM 1345 CB ARG A 207 3.727 -3.449 5.856 1.00 0.25 C ATOM 1346 CG ARG A 207 4.492 -4.243 4.822 1.00 0.25 C ATOM 1347 CD ARG A 207 5.314 -5.331 5.469 1.00 0.32 C ATOM 1348 NE ARG A 207 6.663 -4.875 5.804 1.00 0.47 N ATOM 1349 CZ ARG A 207 7.138 -4.721 7.045 1.00 0.69 C ATOM 1350 NH1 ARG A 207 6.369 -4.931 8.101 1.00 0.87 N ATOM 1351 NH2 ARG A 207 8.388 -4.325 7.226 1.00 0.89 N ATOM 0 H ARG A 207 1.394 -3.949 5.287 1.00 0.24 H new ATOM 0 HA ARG A 207 2.709 -1.567 5.964 1.00 0.25 H new ATOM 0 HB2 ARG A 207 4.438 -2.952 6.516 1.00 0.25 H new ATOM 0 HB3 ARG A 207 3.147 -4.137 6.471 1.00 0.25 H new ATOM 0 HG2 ARG A 207 3.795 -4.685 4.110 1.00 0.25 H new ATOM 0 HG3 ARG A 207 5.145 -3.577 4.258 1.00 0.25 H new ATOM 0 HD2 ARG A 207 4.813 -5.674 6.374 1.00 0.32 H new ATOM 0 HD3 ARG A 207 5.377 -6.186 4.796 1.00 0.32 H new ATOM 0 HE ARG A 207 7.291 -4.657 5.030 1.00 0.47 H new ATOM 0 HH11 ARG A 207 5.397 -5.215 7.976 1.00 0.87 H new ATOM 0 HH12 ARG A 207 6.748 -4.809 9.040 1.00 0.87 H new ATOM 0 HH21 ARG A 207 8.986 -4.138 6.421 1.00 0.89 H new ATOM 0 HH22 ARG A 207 8.754 -4.206 8.171 1.00 0.89 H new ATOM 1365 N VAL A 208 3.148 -2.584 2.833 1.00 0.23 N ATOM 1366 CA VAL A 208 3.749 -2.162 1.589 1.00 0.23 C ATOM 1367 C VAL A 208 3.005 -0.979 1.045 1.00 0.25 C ATOM 1368 O VAL A 208 3.611 0.026 0.679 1.00 0.34 O ATOM 1369 CB VAL A 208 3.804 -3.259 0.495 1.00 0.22 C ATOM 1370 CG1 VAL A 208 4.457 -2.696 -0.737 1.00 0.28 C ATOM 1371 CG2 VAL A 208 4.575 -4.468 0.965 1.00 0.22 C ATOM 0 H VAL A 208 2.604 -3.446 2.783 1.00 0.23 H new ATOM 0 HA VAL A 208 4.782 -1.914 1.833 1.00 0.23 H new ATOM 0 HB VAL A 208 2.784 -3.574 0.273 1.00 0.22 H new ATOM 0 HG11 VAL A 208 4.498 -3.463 -1.510 1.00 0.28 H new ATOM 0 HG12 VAL A 208 3.878 -1.847 -1.100 1.00 0.28 H new ATOM 0 HG13 VAL A 208 5.468 -2.369 -0.496 1.00 0.28 H new ATOM 0 HG21 VAL A 208 4.594 -5.218 0.174 1.00 0.22 H new ATOM 0 HG22 VAL A 208 5.595 -4.175 1.212 1.00 0.22 H new ATOM 0 HG23 VAL A 208 4.093 -4.886 1.849 1.00 0.22 H new ATOM 1381 N VAL A 209 1.689 -1.086 1.015 1.00 0.22 N ATOM 1382 CA VAL A 209 0.887 0.001 0.525 1.00 0.25 C ATOM 1383 C VAL A 209 1.134 1.245 1.379 1.00 0.27 C ATOM 1384 O VAL A 209 1.287 2.343 0.864 1.00 0.32 O ATOM 1385 CB VAL A 209 -0.616 -0.308 0.505 1.00 0.31 C ATOM 1386 CG1 VAL A 209 -0.947 -1.518 -0.318 1.00 1.11 C ATOM 1387 CG2 VAL A 209 -1.159 -0.452 1.883 1.00 1.19 C ATOM 0 H VAL A 209 1.166 -1.906 1.321 1.00 0.22 H new ATOM 0 HA VAL A 209 1.190 0.169 -0.508 1.00 0.25 H new ATOM 0 HB VAL A 209 -1.096 0.547 0.029 1.00 0.31 H new ATOM 0 HG11 VAL A 209 -2.023 -1.689 -0.297 1.00 1.11 H new ATOM 0 HG12 VAL A 209 -0.626 -1.357 -1.347 1.00 1.11 H new ATOM 0 HG13 VAL A 209 -0.433 -2.388 0.091 1.00 1.11 H new ATOM 0 HG21 VAL A 209 -2.226 -0.670 1.833 1.00 1.19 H new ATOM 0 HG22 VAL A 209 -0.645 -1.267 2.393 1.00 1.19 H new ATOM 0 HG23 VAL A 209 -1.004 0.476 2.434 1.00 1.19 H new ATOM 1397 N GLU A 210 1.211 1.033 2.690 1.00 0.26 N ATOM 1398 CA GLU A 210 1.338 2.108 3.661 1.00 0.29 C ATOM 1399 C GLU A 210 2.692 2.802 3.604 1.00 0.29 C ATOM 1400 O GLU A 210 2.746 4.007 3.436 1.00 0.33 O ATOM 1401 CB GLU A 210 1.026 1.578 5.069 1.00 0.31 C ATOM 1402 CG GLU A 210 2.204 1.439 6.022 1.00 0.32 C ATOM 1403 CD GLU A 210 1.759 0.975 7.390 1.00 0.70 C ATOM 1404 OE1 GLU A 210 1.294 1.813 8.187 1.00 1.12 O ATOM 1405 OE2 GLU A 210 1.891 -0.232 7.681 1.00 1.19 O ATOM 0 H GLU A 210 1.187 0.103 3.108 1.00 0.26 H new ATOM 0 HA GLU A 210 0.607 2.875 3.403 1.00 0.29 H new ATOM 0 HB2 GLU A 210 0.293 2.242 5.528 1.00 0.31 H new ATOM 0 HB3 GLU A 210 0.553 0.601 4.968 1.00 0.31 H new ATOM 0 HG2 GLU A 210 2.923 0.730 5.612 1.00 0.32 H new ATOM 0 HG3 GLU A 210 2.717 2.397 6.111 1.00 0.32 H new ATOM 1412 N GLN A 211 3.796 2.080 3.679 1.00 0.27 N ATOM 1413 CA GLN A 211 5.058 2.774 3.809 1.00 0.31 C ATOM 1414 C GLN A 211 5.444 3.325 2.455 1.00 0.31 C ATOM 1415 O GLN A 211 6.325 4.169 2.333 1.00 0.34 O ATOM 1416 CB GLN A 211 6.172 1.888 4.388 1.00 0.34 C ATOM 1417 CG GLN A 211 6.318 0.533 3.715 1.00 0.39 C ATOM 1418 CD GLN A 211 7.638 -0.137 4.030 1.00 0.97 C ATOM 1419 OE1 GLN A 211 8.623 0.029 3.312 1.00 1.55 O ATOM 1420 NE2 GLN A 211 7.670 -0.895 5.114 1.00 1.56 N ATOM 0 H GLN A 211 3.845 1.061 3.654 1.00 0.27 H new ATOM 0 HA GLN A 211 4.932 3.587 4.524 1.00 0.31 H new ATOM 0 HB2 GLN A 211 7.119 2.421 4.310 1.00 0.34 H new ATOM 0 HB3 GLN A 211 5.980 1.733 5.450 1.00 0.34 H new ATOM 0 HG2 GLN A 211 5.501 -0.115 4.032 1.00 0.39 H new ATOM 0 HG3 GLN A 211 6.226 0.656 2.636 1.00 0.39 H new ATOM 0 HE21 GLN A 211 6.831 -1.007 5.683 1.00 1.56 H new ATOM 0 HE22 GLN A 211 8.534 -1.367 5.381 1.00 1.56 H new ATOM 1429 N MET A 212 4.739 2.854 1.441 1.00 0.30 N ATOM 1430 CA MET A 212 4.903 3.348 0.096 1.00 0.31 C ATOM 1431 C MET A 212 3.983 4.527 -0.138 1.00 0.30 C ATOM 1432 O MET A 212 4.329 5.453 -0.850 1.00 0.33 O ATOM 1433 CB MET A 212 4.606 2.241 -0.881 1.00 0.34 C ATOM 1434 CG MET A 212 5.405 2.332 -2.154 1.00 1.17 C ATOM 1435 SD MET A 212 4.736 3.547 -3.300 1.00 1.65 S ATOM 1436 CE MET A 212 3.009 3.058 -3.278 1.00 0.37 C ATOM 0 H MET A 212 4.038 2.118 1.533 1.00 0.30 H new ATOM 0 HA MET A 212 5.930 3.682 -0.049 1.00 0.31 H new ATOM 0 HB2 MET A 212 4.807 1.282 -0.403 1.00 0.34 H new ATOM 0 HB3 MET A 212 3.544 2.259 -1.126 1.00 0.34 H new ATOM 0 HG2 MET A 212 6.436 2.592 -1.915 1.00 1.17 H new ATOM 0 HG3 MET A 212 5.426 1.355 -2.637 1.00 1.17 H new ATOM 0 HE1 MET A 212 2.722 2.693 -4.264 1.00 0.37 H new ATOM 0 HE2 MET A 212 2.864 2.267 -2.542 1.00 0.37 H new ATOM 0 HE3 MET A 212 2.391 3.916 -3.015 1.00 0.37 H new ATOM 1446 N CYS A 213 2.810 4.476 0.465 1.00 0.28 N ATOM 1447 CA CYS A 213 1.924 5.625 0.513 1.00 0.27 C ATOM 1448 C CYS A 213 2.652 6.747 1.237 1.00 0.25 C ATOM 1449 O CYS A 213 2.562 7.916 0.879 1.00 0.25 O ATOM 1450 CB CYS A 213 0.646 5.245 1.258 1.00 0.36 C ATOM 1451 SG CYS A 213 -0.737 6.421 1.123 1.00 0.42 S ATOM 0 H CYS A 213 2.446 3.645 0.932 1.00 0.28 H new ATOM 0 HA CYS A 213 1.652 5.951 -0.491 1.00 0.27 H new ATOM 0 HB2 CYS A 213 0.310 4.276 0.890 1.00 0.36 H new ATOM 0 HB3 CYS A 213 0.888 5.119 2.313 1.00 0.36 H new ATOM 1456 N ILE A 214 3.397 6.338 2.260 1.00 0.25 N ATOM 1457 CA ILE A 214 4.273 7.211 3.015 1.00 0.27 C ATOM 1458 C ILE A 214 5.450 7.666 2.152 1.00 0.27 C ATOM 1459 O ILE A 214 5.848 8.830 2.188 1.00 0.29 O ATOM 1460 CB ILE A 214 4.768 6.475 4.280 1.00 0.30 C ATOM 1461 CG1 ILE A 214 3.972 6.908 5.507 1.00 0.33 C ATOM 1462 CG2 ILE A 214 6.242 6.699 4.506 1.00 0.31 C ATOM 1463 CD1 ILE A 214 4.311 6.134 6.762 1.00 0.36 C ATOM 0 H ILE A 214 3.405 5.372 2.589 1.00 0.25 H new ATOM 0 HA ILE A 214 3.720 8.100 3.319 1.00 0.27 H new ATOM 0 HB ILE A 214 4.609 5.408 4.121 1.00 0.30 H new ATOM 0 HG12 ILE A 214 4.149 7.968 5.687 1.00 0.33 H new ATOM 0 HG13 ILE A 214 2.909 6.793 5.297 1.00 0.33 H new ATOM 0 HG21 ILE A 214 6.557 6.167 5.404 1.00 0.31 H new ATOM 0 HG22 ILE A 214 6.802 6.327 3.648 1.00 0.31 H new ATOM 0 HG23 ILE A 214 6.433 7.765 4.629 1.00 0.31 H new ATOM 0 HD11 ILE A 214 3.704 6.500 7.590 1.00 0.36 H new ATOM 0 HD12 ILE A 214 4.107 5.075 6.603 1.00 0.36 H new ATOM 0 HD13 ILE A 214 5.366 6.269 6.999 1.00 0.36 H new ATOM 1475 N THR A 215 6.003 6.742 1.374 1.00 0.28 N ATOM 1476 CA THR A 215 7.022 7.082 0.400 1.00 0.30 C ATOM 1477 C THR A 215 6.449 8.104 -0.565 1.00 0.30 C ATOM 1478 O THR A 215 7.086 9.107 -0.891 1.00 0.34 O ATOM 1479 CB THR A 215 7.493 5.836 -0.381 1.00 0.34 C ATOM 1480 OG1 THR A 215 8.055 4.879 0.521 1.00 0.37 O ATOM 1481 CG2 THR A 215 8.519 6.199 -1.444 1.00 0.39 C ATOM 0 H THR A 215 5.759 5.752 1.402 1.00 0.28 H new ATOM 0 HA THR A 215 7.886 7.492 0.923 1.00 0.30 H new ATOM 0 HB THR A 215 6.624 5.407 -0.880 1.00 0.34 H new ATOM 0 HG1 THR A 215 7.472 4.785 1.303 1.00 0.37 H new ATOM 0 HG21 THR A 215 8.828 5.298 -1.974 1.00 0.39 H new ATOM 0 HG22 THR A 215 8.078 6.902 -2.150 1.00 0.39 H new ATOM 0 HG23 THR A 215 9.387 6.657 -0.970 1.00 0.39 H new ATOM 1489 N GLN A 216 5.219 7.854 -0.991 1.00 0.30 N ATOM 1490 CA GLN A 216 4.528 8.784 -1.849 1.00 0.32 C ATOM 1491 C GLN A 216 4.051 10.025 -1.100 1.00 0.30 C ATOM 1492 O GLN A 216 3.540 10.941 -1.715 1.00 0.45 O ATOM 1493 CB GLN A 216 3.348 8.126 -2.555 1.00 0.44 C ATOM 1494 CG GLN A 216 3.731 7.064 -3.570 1.00 1.08 C ATOM 1495 CD GLN A 216 4.996 7.398 -4.339 1.00 1.76 C ATOM 1496 OE1 GLN A 216 4.960 8.102 -5.345 1.00 2.17 O ATOM 1497 NE2 GLN A 216 6.117 6.854 -3.897 1.00 2.60 N ATOM 0 H GLN A 216 4.687 7.016 -0.753 1.00 0.30 H new ATOM 0 HA GLN A 216 5.256 9.100 -2.596 1.00 0.32 H new ATOM 0 HB2 GLN A 216 2.698 7.675 -1.805 1.00 0.44 H new ATOM 0 HB3 GLN A 216 2.766 8.898 -3.058 1.00 0.44 H new ATOM 0 HG2 GLN A 216 3.867 6.112 -3.056 1.00 1.08 H new ATOM 0 HG3 GLN A 216 2.910 6.932 -4.275 1.00 1.08 H new ATOM 0 HE21 GLN A 216 6.106 6.275 -3.057 1.00 2.60 H new ATOM 0 HE22 GLN A 216 6.992 7.013 -4.396 1.00 2.60 H new ATOM 1506 N TYR A 217 4.196 10.050 0.218 1.00 0.27 N ATOM 1507 CA TYR A 217 3.924 11.262 0.991 1.00 0.29 C ATOM 1508 C TYR A 217 5.108 12.201 0.880 1.00 0.30 C ATOM 1509 O TYR A 217 4.942 13.408 0.766 1.00 0.31 O ATOM 1510 CB TYR A 217 3.642 10.932 2.462 1.00 0.37 C ATOM 1511 CG TYR A 217 3.582 12.150 3.361 1.00 0.56 C ATOM 1512 CD1 TYR A 217 4.728 12.648 3.968 1.00 1.06 C ATOM 1513 CD2 TYR A 217 2.376 12.802 3.602 1.00 0.80 C ATOM 1514 CE1 TYR A 217 4.674 13.759 4.790 1.00 1.26 C ATOM 1515 CE2 TYR A 217 2.315 13.911 4.421 1.00 0.95 C ATOM 1516 CZ TYR A 217 3.480 14.386 5.011 1.00 1.04 C ATOM 1517 OH TYR A 217 3.407 15.492 5.823 1.00 1.26 O ATOM 0 H TYR A 217 4.499 9.251 0.775 1.00 0.27 H new ATOM 0 HA TYR A 217 3.034 11.743 0.585 1.00 0.29 H new ATOM 0 HB2 TYR A 217 2.696 10.395 2.529 1.00 0.37 H new ATOM 0 HB3 TYR A 217 4.417 10.259 2.829 1.00 0.37 H new ATOM 0 HD1 TYR A 217 5.676 12.160 3.795 1.00 1.06 H new ATOM 0 HD2 TYR A 217 1.472 12.433 3.140 1.00 0.80 H new ATOM 0 HE1 TYR A 217 5.574 14.131 5.257 1.00 1.26 H new ATOM 0 HE2 TYR A 217 1.372 14.405 4.602 1.00 0.95 H new ATOM 0 HH TYR A 217 2.467 15.709 5.997 1.00 1.26 H new ATOM 1527 N GLN A 218 6.306 11.637 0.908 1.00 0.33 N ATOM 1528 CA GLN A 218 7.518 12.420 0.686 1.00 0.42 C ATOM 1529 C GLN A 218 7.470 12.937 -0.726 1.00 0.46 C ATOM 1530 O GLN A 218 7.765 14.099 -1.014 1.00 0.58 O ATOM 1531 CB GLN A 218 8.783 11.571 0.824 1.00 0.47 C ATOM 1532 CG GLN A 218 8.723 10.506 1.894 1.00 0.63 C ATOM 1533 CD GLN A 218 8.589 11.061 3.300 1.00 1.23 C ATOM 1534 OE1 GLN A 218 8.014 10.418 4.177 1.00 1.83 O ATOM 1535 NE2 GLN A 218 9.116 12.252 3.529 1.00 1.97 N ATOM 0 H GLN A 218 6.468 10.645 1.081 1.00 0.33 H new ATOM 0 HA GLN A 218 7.555 13.217 1.428 1.00 0.42 H new ATOM 0 HB2 GLN A 218 8.987 11.092 -0.133 1.00 0.47 H new ATOM 0 HB3 GLN A 218 9.624 12.231 1.036 1.00 0.47 H new ATOM 0 HG2 GLN A 218 7.879 9.847 1.691 1.00 0.63 H new ATOM 0 HG3 GLN A 218 9.625 9.896 1.838 1.00 0.63 H new ATOM 0 HE21 GLN A 218 9.585 12.755 2.776 1.00 1.97 H new ATOM 0 HE22 GLN A 218 9.053 12.667 4.458 1.00 1.97 H new ATOM 1544 N GLN A 219 7.092 12.024 -1.599 1.00 0.42 N ATOM 1545 CA GLN A 219 6.907 12.305 -2.994 1.00 0.53 C ATOM 1546 C GLN A 219 5.836 13.376 -3.183 1.00 0.51 C ATOM 1547 O GLN A 219 6.058 14.350 -3.879 1.00 0.58 O ATOM 1548 CB GLN A 219 6.517 11.015 -3.710 1.00 0.60 C ATOM 1549 CG GLN A 219 6.151 11.191 -5.173 1.00 0.78 C ATOM 1550 CD GLN A 219 7.320 11.651 -6.020 1.00 0.98 C ATOM 1551 OE1 GLN A 219 8.481 11.383 -5.699 1.00 1.58 O ATOM 1552 NE2 GLN A 219 7.021 12.324 -7.117 1.00 1.70 N ATOM 0 H GLN A 219 6.904 11.054 -1.347 1.00 0.42 H new ATOM 0 HA GLN A 219 7.836 12.686 -3.419 1.00 0.53 H new ATOM 0 HB2 GLN A 219 7.345 10.310 -3.638 1.00 0.60 H new ATOM 0 HB3 GLN A 219 5.671 10.567 -3.189 1.00 0.60 H new ATOM 0 HG2 GLN A 219 5.774 10.246 -5.565 1.00 0.78 H new ATOM 0 HG3 GLN A 219 5.341 11.916 -5.255 1.00 0.78 H new ATOM 0 HE21 GLN A 219 6.047 12.523 -7.343 1.00 1.70 H new ATOM 0 HE22 GLN A 219 7.765 12.644 -7.737 1.00 1.70 H new ATOM 1561 N GLU A 220 4.685 13.187 -2.537 1.00 0.45 N ATOM 1562 CA GLU A 220 3.565 14.125 -2.628 1.00 0.46 C ATOM 1563 C GLU A 220 3.946 15.476 -2.020 1.00 0.46 C ATOM 1564 O GLU A 220 3.595 16.525 -2.546 1.00 0.49 O ATOM 1565 CB GLU A 220 2.342 13.560 -1.896 1.00 0.45 C ATOM 1566 CG GLU A 220 1.018 13.741 -2.629 1.00 0.75 C ATOM 1567 CD GLU A 220 0.928 15.043 -3.402 1.00 1.21 C ATOM 1568 OE1 GLU A 220 1.323 15.068 -4.584 1.00 1.74 O ATOM 1569 OE2 GLU A 220 0.441 16.036 -2.837 1.00 1.62 O ATOM 0 H GLU A 220 4.503 12.382 -1.938 1.00 0.45 H new ATOM 0 HA GLU A 220 3.322 14.267 -3.681 1.00 0.46 H new ATOM 0 HB2 GLU A 220 2.501 12.496 -1.720 1.00 0.45 H new ATOM 0 HB3 GLU A 220 2.268 14.037 -0.919 1.00 0.45 H new ATOM 0 HG2 GLU A 220 0.876 12.908 -3.318 1.00 0.75 H new ATOM 0 HG3 GLU A 220 0.203 13.699 -1.906 1.00 0.75 H new ATOM 1576 N SER A 221 4.676 15.434 -0.912 1.00 0.46 N ATOM 1577 CA SER A 221 5.142 16.641 -0.243 1.00 0.51 C ATOM 1578 C SER A 221 5.929 17.514 -1.220 1.00 0.56 C ATOM 1579 O SER A 221 5.747 18.728 -1.278 1.00 0.63 O ATOM 1580 CB SER A 221 6.018 16.263 0.958 1.00 0.52 C ATOM 1581 OG SER A 221 6.291 17.392 1.771 1.00 0.74 O ATOM 0 H SER A 221 4.960 14.568 -0.455 1.00 0.46 H new ATOM 0 HA SER A 221 4.281 17.207 0.112 1.00 0.51 H new ATOM 0 HB2 SER A 221 5.516 15.498 1.551 1.00 0.52 H new ATOM 0 HB3 SER A 221 6.955 15.830 0.606 1.00 0.52 H new ATOM 0 HG SER A 221 5.486 17.946 1.843 1.00 0.74 H new ATOM 1587 N GLN A 222 6.785 16.877 -2.004 1.00 0.57 N ATOM 1588 CA GLN A 222 7.570 17.582 -3.000 1.00 0.68 C ATOM 1589 C GLN A 222 6.786 17.729 -4.297 1.00 0.69 C ATOM 1590 O GLN A 222 7.041 18.635 -5.074 1.00 0.79 O ATOM 1591 CB GLN A 222 8.894 16.854 -3.234 1.00 0.77 C ATOM 1592 CG GLN A 222 9.155 16.484 -4.685 1.00 1.19 C ATOM 1593 CD GLN A 222 10.549 15.929 -4.912 1.00 1.31 C ATOM 1594 OE1 GLN A 222 10.766 15.108 -5.804 1.00 1.81 O ATOM 1595 NE2 GLN A 222 11.507 16.371 -4.114 1.00 1.52 N ATOM 0 H GLN A 222 6.952 15.871 -1.968 1.00 0.57 H new ATOM 0 HA GLN A 222 7.790 18.584 -2.631 1.00 0.68 H new ATOM 0 HB2 GLN A 222 9.710 17.484 -2.879 1.00 0.77 H new ATOM 0 HB3 GLN A 222 8.908 15.946 -2.631 1.00 0.77 H new ATOM 0 HG2 GLN A 222 8.419 15.746 -5.004 1.00 1.19 H new ATOM 0 HG3 GLN A 222 9.014 17.366 -5.310 1.00 1.19 H new ATOM 0 HE21 GLN A 222 11.291 17.051 -3.386 1.00 1.52 H new ATOM 0 HE22 GLN A 222 12.462 16.031 -4.227 1.00 1.52 H new ATOM 1604 N ALA A 223 5.839 16.839 -4.531 1.00 0.64 N ATOM 1605 CA ALA A 223 4.942 16.970 -5.671 1.00 0.71 C ATOM 1606 C ALA A 223 4.095 18.212 -5.506 1.00 0.71 C ATOM 1607 O ALA A 223 3.779 18.884 -6.481 1.00 0.82 O ATOM 1608 CB ALA A 223 4.075 15.731 -5.844 1.00 0.72 C ATOM 0 H ALA A 223 5.669 16.018 -3.950 1.00 0.64 H new ATOM 0 HA ALA A 223 5.540 17.066 -6.577 1.00 0.71 H new ATOM 0 HB1 ALA A 223 3.418 15.864 -6.704 1.00 0.72 H new ATOM 0 HB2 ALA A 223 4.712 14.861 -6.005 1.00 0.72 H new ATOM 0 HB3 ALA A 223 3.473 15.580 -4.948 1.00 0.72 H new ATOM 1614 N ALA A 224 3.752 18.523 -4.261 1.00 0.65 N ATOM 1615 CA ALA A 224 3.135 19.794 -3.931 1.00 0.72 C ATOM 1616 C ALA A 224 4.071 20.927 -4.314 1.00 0.82 C ATOM 1617 O ALA A 224 3.635 21.974 -4.759 1.00 0.93 O ATOM 1618 CB ALA A 224 2.799 19.869 -2.452 1.00 0.75 C ATOM 0 H ALA A 224 3.894 17.905 -3.462 1.00 0.65 H new ATOM 0 HA ALA A 224 2.205 19.885 -4.492 1.00 0.72 H new ATOM 0 HB1 ALA A 224 2.338 20.832 -2.232 1.00 0.75 H new ATOM 0 HB2 ALA A 224 2.106 19.068 -2.195 1.00 0.75 H new ATOM 0 HB3 ALA A 224 3.712 19.761 -1.866 1.00 0.75 H new ATOM 1624 N TYR A 225 5.364 20.680 -4.160 1.00 0.88 N ATOM 1625 CA TYR A 225 6.395 21.648 -4.514 1.00 1.02 C ATOM 1626 C TYR A 225 6.624 21.683 -6.025 1.00 1.13 C ATOM 1627 O TYR A 225 7.050 22.696 -6.576 1.00 1.30 O ATOM 1628 CB TYR A 225 7.694 21.312 -3.770 1.00 1.02 C ATOM 1629 CG TYR A 225 7.687 21.730 -2.313 1.00 1.29 C ATOM 1630 CD1 TYR A 225 6.507 21.748 -1.584 1.00 1.62 C ATOM 1631 CD2 TYR A 225 8.859 22.110 -1.670 1.00 2.15 C ATOM 1632 CE1 TYR A 225 6.494 22.130 -0.256 1.00 2.22 C ATOM 1633 CE2 TYR A 225 8.855 22.490 -0.344 1.00 2.88 C ATOM 1634 CZ TYR A 225 7.677 22.495 0.360 1.00 2.75 C ATOM 1635 OH TYR A 225 7.663 22.880 1.682 1.00 3.57 O ATOM 0 H TYR A 225 5.729 19.804 -3.786 1.00 0.88 H new ATOM 0 HA TYR A 225 6.061 22.641 -4.213 1.00 1.02 H new ATOM 0 HB2 TYR A 225 7.869 20.238 -3.830 1.00 1.02 H new ATOM 0 HB3 TYR A 225 8.528 21.800 -4.275 1.00 1.02 H new ATOM 0 HD1 TYR A 225 5.583 21.459 -2.062 1.00 1.62 H new ATOM 0 HD2 TYR A 225 9.789 22.108 -2.218 1.00 2.15 H new ATOM 0 HE1 TYR A 225 5.566 22.143 0.297 1.00 2.22 H new ATOM 0 HE2 TYR A 225 9.776 22.783 0.139 1.00 2.88 H new ATOM 0 HH TYR A 225 8.573 23.104 1.967 1.00 3.57 H new ATOM 1645 N GLN A 226 6.331 20.572 -6.687 1.00 1.09 N ATOM 1646 CA GLN A 226 6.447 20.476 -8.138 1.00 1.27 C ATOM 1647 C GLN A 226 5.246 21.123 -8.808 1.00 1.36 C ATOM 1648 O GLN A 226 5.355 21.706 -9.882 1.00 1.55 O ATOM 1649 CB GLN A 226 6.557 19.009 -8.565 1.00 1.32 C ATOM 1650 CG GLN A 226 7.790 18.304 -8.020 1.00 1.60 C ATOM 1651 CD GLN A 226 9.080 18.867 -8.580 1.00 2.19 C ATOM 1652 OE1 GLN A 226 9.647 19.818 -8.040 1.00 2.87 O ATOM 1653 NE2 GLN A 226 9.560 18.270 -9.656 1.00 2.60 N ATOM 0 H GLN A 226 6.008 19.715 -6.237 1.00 1.09 H new ATOM 0 HA GLN A 226 7.349 21.003 -8.449 1.00 1.27 H new ATOM 0 HB2 GLN A 226 5.667 18.475 -8.232 1.00 1.32 H new ATOM 0 HB3 GLN A 226 6.571 18.957 -9.654 1.00 1.32 H new ATOM 0 HG2 GLN A 226 7.802 18.390 -6.933 1.00 1.60 H new ATOM 0 HG3 GLN A 226 7.730 17.241 -8.255 1.00 1.60 H new ATOM 0 HE21 GLN A 226 9.057 17.485 -10.071 1.00 2.60 H new ATOM 0 HE22 GLN A 226 10.433 18.594 -10.072 1.00 2.60 H new ATOM 1662 N ARG A 227 4.095 21.013 -8.164 1.00 1.25 N ATOM 1663 CA ARG A 227 2.876 21.628 -8.668 1.00 1.35 C ATOM 1664 C ARG A 227 2.757 23.066 -8.169 1.00 1.38 C ATOM 1665 O ARG A 227 1.836 23.789 -8.549 1.00 1.46 O ATOM 1666 CB ARG A 227 1.646 20.814 -8.246 1.00 1.32 C ATOM 1667 CG ARG A 227 1.488 20.687 -6.741 1.00 1.00 C ATOM 1668 CD ARG A 227 0.215 19.950 -6.360 1.00 1.08 C ATOM 1669 NE ARG A 227 0.436 18.512 -6.165 1.00 1.97 N ATOM 1670 CZ ARG A 227 -0.317 17.557 -6.712 1.00 2.50 C ATOM 1671 NH1 ARG A 227 -1.285 17.875 -7.561 1.00 2.39 N ATOM 1672 NH2 ARG A 227 -0.110 16.280 -6.409 1.00 3.59 N ATOM 0 H ARG A 227 3.979 20.502 -7.289 1.00 1.25 H new ATOM 0 HA ARG A 227 2.924 21.641 -9.757 1.00 1.35 H new ATOM 0 HB2 ARG A 227 0.752 21.282 -8.659 1.00 1.32 H new ATOM 0 HB3 ARG A 227 1.714 19.817 -8.681 1.00 1.32 H new ATOM 0 HG2 ARG A 227 2.349 20.159 -6.330 1.00 1.00 H new ATOM 0 HG3 ARG A 227 1.479 21.681 -6.293 1.00 1.00 H new ATOM 0 HD2 ARG A 227 -0.190 20.380 -5.444 1.00 1.08 H new ATOM 0 HD3 ARG A 227 -0.533 20.097 -7.139 1.00 1.08 H new ATOM 0 HE ARG A 227 1.216 18.225 -5.573 1.00 1.97 H new ATOM 0 HH11 ARG A 227 -1.455 18.853 -7.797 1.00 2.39 H new ATOM 0 HH12 ARG A 227 -1.859 17.142 -7.978 1.00 2.39 H new ATOM 0 HH21 ARG A 227 0.629 16.025 -5.754 1.00 3.59 H new ATOM 0 HH22 ARG A 227 -0.690 15.555 -6.831 1.00 3.59 H new ATOM 1686 N ALA A 228 3.692 23.469 -7.315 1.00 1.34 N ATOM 1687 CA ALA A 228 3.717 24.823 -6.781 1.00 1.43 C ATOM 1688 C ALA A 228 4.915 25.583 -7.331 1.00 1.64 C ATOM 1689 CB ALA A 228 3.760 24.804 -5.259 1.00 1.40 C ATOM 0 H ALA A 228 4.446 22.872 -6.977 1.00 1.34 H new ATOM 0 HA ALA A 228 2.803 25.330 -7.091 1.00 1.43 H new ATOM 0 HB1 ALA A 228 3.778 25.827 -4.883 1.00 1.40 H new ATOM 0 HB2 ALA A 228 2.877 24.292 -4.876 1.00 1.40 H new ATOM 0 HB3 ALA A 228 4.656 24.279 -4.927 1.00 1.40 H new