USER MOD reduce.3.24.130724 H: found=0, std=0, add=734, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 733 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 90 LYS NZ :NH3+ -129:sc= 0.13 (180deg=-0.303) USER MOD Set 1.2: A 123 TYR OH : rot 165:sc= 0.147 USER MOD Set 2.1: A 112 TYR OH : rot 56:sc= 0.823 USER MOD Set 2.2: A 135 THR OG1 : rot 8:sc= 0.0597 USER MOD Set 2.3: A 136 ASN : amide:sc= 0.779 K(o=1.7,f=-3.4!) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 GLN : amide:sc= -2.42! C(o=-2.4!,f=-2.7!) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 GLN : amide:sc= -0.0313 X(o=-0.031,f=-0.15) USER MOD Single : A 76 TYR OH : rot 30:sc= -1.66! USER MOD Single : A 78 ASN : amide:sc= -5.16! C(o=-5.2!,f=-16!) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 84 SER OG : rot 150:sc= -0.121 USER MOD Single : A 93 GLN : amide:sc= -0.137 K(o=-0.14,f=-0.78) USER MOD Single : A 94 HIS : no HD1:sc= -0.0506 X(o=-0.051,f=-0.19) USER MOD Single : A 100 ASN : amide:sc= -0.257 K(o=-0.26,f=-2) USER MOD Single : A 101 THR OG1 : rot 180:sc= 0 USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 GLN : amide:sc=-0.00318 K(o=-0.0032,f=-0.99) USER MOD Single : A 106 THR OG1 : rot -70:sc= 0.735 USER MOD Single : A 108 LYS NZ :NH3+ -157:sc= -0.368 (180deg=-2.21!) USER MOD Single : A 109 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 HIS : no HD1:sc= -2.55 X(o=-2.5,f=-2.5!) USER MOD Single : A 113 GLN : amide:sc= -0.2 K(o=-0.2,f=-0.84) USER MOD Single : A 120 SER OG : rot 180:sc= 0 USER MOD Single : A 122 GLN : amide:sc= 0 X(o=0,f=0.008) USER MOD Single : A 124 SER OG : rot 180:sc= -0.0198 USER MOD Single : A 125 LYS NZ :NH3+ -152:sc= 0 (180deg=-0.00446) USER MOD Single : A 126 ASN : amide:sc= -0.025 K(o=-0.025,f=-1.7!) USER MOD Single : A 127 TYR OH : rot 180:sc= 0 USER MOD Single : A 130 SER OG : rot -34:sc= 0.737 USER MOD Single : A 134 SER OG : rot 83:sc= 0.263 USER MOD Single : A 137 MET CE :methyl 134:sc= -0.134 (180deg=-0.953) USER MOD Single : A 140 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 141 TYR OH : rot 180:sc= 0 USER MOD Single : A 143 TYR OH : rot 180:sc= 0 USER MOD Single : A 145 THR OG1 : rot 180:sc= 0.0103 USER MOD Single : A 149 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.00147) USER MOD Single : A 151 MET CE :methyl -179:sc= -4.03! (180deg=-4.05!) USER MOD ----------------------------------------------------------------- ATOM 15 N PHE A 65 8.153 3.332 -7.216 1.00 0.00 N ATOM 16 CA PHE A 65 7.081 2.965 -6.243 1.00 0.00 C ATOM 17 C PHE A 65 7.673 2.208 -5.048 1.00 0.00 C ATOM 18 O PHE A 65 7.336 2.467 -3.911 1.00 0.00 O ATOM 19 CB PHE A 65 6.052 2.078 -6.943 1.00 0.00 C ATOM 20 CG PHE A 65 4.908 1.785 -5.996 1.00 0.00 C ATOM 21 CD1 PHE A 65 4.079 2.827 -5.559 1.00 0.00 C ATOM 22 CD2 PHE A 65 4.673 0.475 -5.556 1.00 0.00 C ATOM 23 CE1 PHE A 65 3.018 2.558 -4.686 1.00 0.00 C ATOM 24 CE2 PHE A 65 3.611 0.209 -4.683 1.00 0.00 C ATOM 25 CZ PHE A 65 2.784 1.250 -4.248 1.00 0.00 C ATOM 0 HA PHE A 65 6.607 3.877 -5.879 1.00 0.00 H new ATOM 0 HB2 PHE A 65 5.678 2.574 -7.839 1.00 0.00 H new ATOM 0 HB3 PHE A 65 6.518 1.147 -7.265 1.00 0.00 H new ATOM 0 HD1 PHE A 65 4.259 3.837 -5.896 1.00 0.00 H new ATOM 0 HD2 PHE A 65 5.311 -0.329 -5.890 1.00 0.00 H new ATOM 0 HE1 PHE A 65 2.379 3.361 -4.350 1.00 0.00 H new ATOM 0 HE2 PHE A 65 3.430 -0.801 -4.345 1.00 0.00 H new ATOM 0 HZ PHE A 65 1.965 1.044 -3.574 1.00 0.00 H new ATOM 35 N LYS A 66 8.540 1.264 -5.295 1.00 0.00 N ATOM 36 CA LYS A 66 9.136 0.484 -4.172 1.00 0.00 C ATOM 37 C LYS A 66 9.922 1.418 -3.249 1.00 0.00 C ATOM 38 O LYS A 66 9.821 1.343 -2.041 1.00 0.00 O ATOM 39 CB LYS A 66 10.079 -0.573 -4.744 1.00 0.00 C ATOM 40 CG LYS A 66 10.608 -1.459 -3.616 1.00 0.00 C ATOM 41 CD LYS A 66 11.505 -2.551 -4.201 1.00 0.00 C ATOM 42 CE LYS A 66 12.017 -3.447 -3.073 1.00 0.00 C ATOM 43 NZ LYS A 66 12.881 -4.521 -3.640 1.00 0.00 N ATOM 0 H LYS A 66 8.862 0.999 -6.226 1.00 0.00 H new ATOM 0 HA LYS A 66 8.341 0.004 -3.602 1.00 0.00 H new ATOM 0 HB2 LYS A 66 9.554 -1.181 -5.481 1.00 0.00 H new ATOM 0 HB3 LYS A 66 10.909 -0.092 -5.261 1.00 0.00 H new ATOM 0 HG2 LYS A 66 11.169 -0.858 -2.900 1.00 0.00 H new ATOM 0 HG3 LYS A 66 9.777 -1.909 -3.073 1.00 0.00 H new ATOM 0 HD2 LYS A 66 10.948 -3.144 -4.927 1.00 0.00 H new ATOM 0 HD3 LYS A 66 12.344 -2.102 -4.733 1.00 0.00 H new ATOM 0 HE2 LYS A 66 12.581 -2.855 -2.352 1.00 0.00 H new ATOM 0 HE3 LYS A 66 11.177 -3.888 -2.536 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 13.228 -5.129 -2.871 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 12.329 -5.092 -4.311 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 13.689 -4.092 -4.134 1.00 0.00 H new ATOM 57 N GLN A 67 10.709 2.293 -3.810 1.00 0.00 N ATOM 58 CA GLN A 67 11.507 3.226 -2.968 1.00 0.00 C ATOM 59 C GLN A 67 10.567 4.154 -2.193 1.00 0.00 C ATOM 60 O GLN A 67 10.742 4.389 -1.014 1.00 0.00 O ATOM 61 CB GLN A 67 12.416 4.060 -3.883 1.00 0.00 C ATOM 62 CG GLN A 67 13.596 4.619 -3.083 1.00 0.00 C ATOM 63 CD GLN A 67 13.078 5.578 -2.011 1.00 0.00 C ATOM 64 OE1 GLN A 67 12.344 6.498 -2.308 1.00 0.00 O ATOM 65 NE2 GLN A 67 13.429 5.398 -0.768 1.00 0.00 N ATOM 0 H GLN A 67 10.834 2.402 -4.816 1.00 0.00 H new ATOM 0 HA GLN A 67 12.111 2.661 -2.259 1.00 0.00 H new ATOM 0 HB2 GLN A 67 12.782 3.444 -4.704 1.00 0.00 H new ATOM 0 HB3 GLN A 67 11.847 4.877 -4.327 1.00 0.00 H new ATOM 0 HG2 GLN A 67 14.153 3.805 -2.619 1.00 0.00 H new ATOM 0 HG3 GLN A 67 14.286 5.139 -3.748 1.00 0.00 H new ATOM 0 HE21 GLN A 67 14.046 4.625 -0.519 1.00 0.00 H new ATOM 0 HE22 GLN A 67 13.087 6.030 -0.045 1.00 0.00 H new ATOM 74 N VAL A 68 9.577 4.688 -2.854 1.00 0.00 N ATOM 75 CA VAL A 68 8.628 5.610 -2.168 1.00 0.00 C ATOM 76 C VAL A 68 7.860 4.859 -1.076 1.00 0.00 C ATOM 77 O VAL A 68 7.695 5.348 0.025 1.00 0.00 O ATOM 78 CB VAL A 68 7.635 6.161 -3.193 1.00 0.00 C ATOM 79 CG1 VAL A 68 6.524 6.935 -2.477 1.00 0.00 C ATOM 80 CG2 VAL A 68 8.361 7.098 -4.160 1.00 0.00 C ATOM 0 H VAL A 68 9.384 4.525 -3.842 1.00 0.00 H new ATOM 0 HA VAL A 68 9.188 6.427 -1.713 1.00 0.00 H new ATOM 0 HB VAL A 68 7.198 5.330 -3.747 1.00 0.00 H new ATOM 0 HG11 VAL A 68 5.820 7.325 -3.212 1.00 0.00 H new ATOM 0 HG12 VAL A 68 6.001 6.269 -1.791 1.00 0.00 H new ATOM 0 HG13 VAL A 68 6.960 7.763 -1.917 1.00 0.00 H new ATOM 0 HG21 VAL A 68 7.652 7.489 -4.889 1.00 0.00 H new ATOM 0 HG22 VAL A 68 8.802 7.925 -3.603 1.00 0.00 H new ATOM 0 HG23 VAL A 68 9.147 6.549 -4.678 1.00 0.00 H new ATOM 90 N ALA A 69 7.370 3.688 -1.378 1.00 0.00 N ATOM 91 CA ALA A 69 6.592 2.926 -0.364 1.00 0.00 C ATOM 92 C ALA A 69 7.474 2.607 0.844 1.00 0.00 C ATOM 93 O ALA A 69 7.041 2.696 1.975 1.00 0.00 O ATOM 94 CB ALA A 69 6.082 1.626 -0.990 1.00 0.00 C ATOM 0 H ALA A 69 7.475 3.227 -2.282 1.00 0.00 H new ATOM 0 HA ALA A 69 5.746 3.528 -0.032 1.00 0.00 H new ATOM 0 HB1 ALA A 69 5.511 1.065 -0.250 1.00 0.00 H new ATOM 0 HB2 ALA A 69 5.442 1.859 -1.841 1.00 0.00 H new ATOM 0 HB3 ALA A 69 6.929 1.027 -1.326 1.00 0.00 H new ATOM 100 N ASP A 70 8.707 2.241 0.625 1.00 0.00 N ATOM 101 CA ASP A 70 9.592 1.928 1.780 1.00 0.00 C ATOM 102 C ASP A 70 9.768 3.187 2.633 1.00 0.00 C ATOM 103 O ASP A 70 9.737 3.136 3.846 1.00 0.00 O ATOM 104 CB ASP A 70 10.954 1.455 1.273 1.00 0.00 C ATOM 105 CG ASP A 70 10.824 0.053 0.679 1.00 0.00 C ATOM 106 OD1 ASP A 70 9.806 -0.579 0.913 1.00 0.00 O ATOM 107 OD2 ASP A 70 11.746 -0.370 0.002 1.00 0.00 O ATOM 0 H ASP A 70 9.136 2.146 -0.295 1.00 0.00 H new ATOM 0 HA ASP A 70 9.142 1.138 2.381 1.00 0.00 H new ATOM 0 HB2 ASP A 70 11.332 2.146 0.520 1.00 0.00 H new ATOM 0 HB3 ASP A 70 11.675 1.449 2.090 1.00 0.00 H new ATOM 112 N ASP A 71 9.953 4.319 2.005 1.00 0.00 N ATOM 113 CA ASP A 71 10.131 5.586 2.774 1.00 0.00 C ATOM 114 C ASP A 71 8.852 5.901 3.559 1.00 0.00 C ATOM 115 O ASP A 71 8.899 6.266 4.717 1.00 0.00 O ATOM 116 CB ASP A 71 10.415 6.726 1.796 1.00 0.00 C ATOM 117 CG ASP A 71 10.616 8.029 2.570 1.00 0.00 C ATOM 118 OD1 ASP A 71 10.406 8.022 3.771 1.00 0.00 O ATOM 119 OD2 ASP A 71 10.974 9.014 1.946 1.00 0.00 O ATOM 0 H ASP A 71 9.989 4.421 0.991 1.00 0.00 H new ATOM 0 HA ASP A 71 10.962 5.475 3.470 1.00 0.00 H new ATOM 0 HB2 ASP A 71 11.304 6.500 1.207 1.00 0.00 H new ATOM 0 HB3 ASP A 71 9.587 6.832 1.095 1.00 0.00 H new ATOM 124 N TRP A 72 7.713 5.773 2.935 1.00 0.00 N ATOM 125 CA TRP A 72 6.430 6.074 3.635 1.00 0.00 C ATOM 126 C TRP A 72 6.258 5.134 4.833 1.00 0.00 C ATOM 127 O TRP A 72 5.816 5.538 5.888 1.00 0.00 O ATOM 128 CB TRP A 72 5.266 5.882 2.657 1.00 0.00 C ATOM 129 CG TRP A 72 3.985 6.309 3.302 1.00 0.00 C ATOM 130 CD1 TRP A 72 3.483 7.566 3.271 1.00 0.00 C ATOM 131 CD2 TRP A 72 3.034 5.508 4.066 1.00 0.00 C ATOM 132 NE1 TRP A 72 2.287 7.587 3.966 1.00 0.00 N ATOM 133 CE2 TRP A 72 1.968 6.345 4.474 1.00 0.00 C ATOM 134 CE3 TRP A 72 2.992 4.152 4.440 1.00 0.00 C ATOM 135 CZ2 TRP A 72 0.900 5.855 5.228 1.00 0.00 C ATOM 136 CZ3 TRP A 72 1.917 3.656 5.199 1.00 0.00 C ATOM 137 CH2 TRP A 72 0.874 4.506 5.590 1.00 0.00 C ATOM 0 H TRP A 72 7.615 5.471 1.966 1.00 0.00 H new ATOM 0 HA TRP A 72 6.443 7.104 3.992 1.00 0.00 H new ATOM 0 HB2 TRP A 72 5.440 6.464 1.752 1.00 0.00 H new ATOM 0 HB3 TRP A 72 5.201 4.836 2.356 1.00 0.00 H new ATOM 0 HD1 TRP A 72 3.941 8.414 2.783 1.00 0.00 H new ATOM 0 HE1 TRP A 72 1.711 8.420 4.088 1.00 0.00 H new ATOM 0 HE3 TRP A 72 3.790 3.488 4.142 1.00 0.00 H new ATOM 0 HZ2 TRP A 72 0.099 6.514 5.529 1.00 0.00 H new ATOM 0 HZ3 TRP A 72 1.895 2.614 5.482 1.00 0.00 H new ATOM 0 HH2 TRP A 72 0.050 4.118 6.171 1.00 0.00 H new ATOM 148 N LEU A 73 6.593 3.883 4.676 1.00 0.00 N ATOM 149 CA LEU A 73 6.441 2.920 5.805 1.00 0.00 C ATOM 150 C LEU A 73 7.359 3.332 6.960 1.00 0.00 C ATOM 151 O LEU A 73 6.974 3.299 8.113 1.00 0.00 O ATOM 152 CB LEU A 73 6.823 1.520 5.318 1.00 0.00 C ATOM 153 CG LEU A 73 5.775 1.005 4.316 1.00 0.00 C ATOM 154 CD1 LEU A 73 6.350 -0.195 3.556 1.00 0.00 C ATOM 155 CD2 LEU A 73 4.489 0.570 5.047 1.00 0.00 C ATOM 0 H LEU A 73 6.966 3.485 3.814 1.00 0.00 H new ATOM 0 HA LEU A 73 5.408 2.920 6.154 1.00 0.00 H new ATOM 0 HB2 LEU A 73 7.806 1.546 4.847 1.00 0.00 H new ATOM 0 HB3 LEU A 73 6.893 0.838 6.166 1.00 0.00 H new ATOM 0 HG LEU A 73 5.530 1.810 3.623 1.00 0.00 H new ATOM 0 HD11 LEU A 73 5.611 -0.563 2.845 1.00 0.00 H new ATOM 0 HD12 LEU A 73 7.249 0.110 3.020 1.00 0.00 H new ATOM 0 HD13 LEU A 73 6.600 -0.987 4.262 1.00 0.00 H new ATOM 0 HD21 LEU A 73 3.761 0.209 4.320 1.00 0.00 H new ATOM 0 HD22 LEU A 73 4.723 -0.228 5.752 1.00 0.00 H new ATOM 0 HD23 LEU A 73 4.072 1.420 5.587 1.00 0.00 H new ATOM 167 N LYS A 74 8.568 3.718 6.663 1.00 0.00 N ATOM 168 CA LYS A 74 9.504 4.130 7.744 1.00 0.00 C ATOM 169 C LYS A 74 8.966 5.383 8.439 1.00 0.00 C ATOM 170 O LYS A 74 8.954 5.475 9.651 1.00 0.00 O ATOM 171 CB LYS A 74 10.874 4.426 7.131 1.00 0.00 C ATOM 172 CG LYS A 74 11.889 4.684 8.245 1.00 0.00 C ATOM 173 CD LYS A 74 13.300 4.768 7.653 1.00 0.00 C ATOM 174 CE LYS A 74 13.436 6.019 6.780 1.00 0.00 C ATOM 175 NZ LYS A 74 14.883 6.305 6.552 1.00 0.00 N ATOM 0 H LYS A 74 8.948 3.766 5.718 1.00 0.00 H new ATOM 0 HA LYS A 74 9.597 3.329 8.477 1.00 0.00 H new ATOM 0 HB2 LYS A 74 11.198 3.586 6.517 1.00 0.00 H new ATOM 0 HB3 LYS A 74 10.810 5.294 6.475 1.00 0.00 H new ATOM 0 HG2 LYS A 74 11.646 5.612 8.763 1.00 0.00 H new ATOM 0 HG3 LYS A 74 11.842 3.885 8.984 1.00 0.00 H new ATOM 0 HD2 LYS A 74 14.037 4.794 8.455 1.00 0.00 H new ATOM 0 HD3 LYS A 74 13.506 3.878 7.059 1.00 0.00 H new ATOM 0 HE2 LYS A 74 12.928 5.869 5.827 1.00 0.00 H new ATOM 0 HE3 LYS A 74 12.957 6.869 7.266 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 14.980 7.154 5.959 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 15.353 6.465 7.466 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 15.325 5.495 6.072 1.00 0.00 H new ATOM 189 N GLN A 75 8.520 6.347 7.680 1.00 0.00 N ATOM 190 CA GLN A 75 7.981 7.593 8.292 1.00 0.00 C ATOM 191 C GLN A 75 6.649 7.286 8.983 1.00 0.00 C ATOM 192 O GLN A 75 6.374 7.765 10.066 1.00 0.00 O ATOM 193 CB GLN A 75 7.761 8.633 7.196 1.00 0.00 C ATOM 194 CG GLN A 75 9.115 9.068 6.626 1.00 0.00 C ATOM 195 CD GLN A 75 8.895 10.050 5.474 1.00 0.00 C ATOM 196 OE1 GLN A 75 8.240 9.728 4.504 1.00 0.00 O ATOM 197 NE2 GLN A 75 9.424 11.243 5.538 1.00 0.00 N ATOM 0 H GLN A 75 8.506 6.324 6.660 1.00 0.00 H new ATOM 0 HA GLN A 75 8.688 7.979 9.027 1.00 0.00 H new ATOM 0 HB2 GLN A 75 7.138 8.217 6.404 1.00 0.00 H new ATOM 0 HB3 GLN A 75 7.230 9.495 7.599 1.00 0.00 H new ATOM 0 HG2 GLN A 75 9.716 9.535 7.406 1.00 0.00 H new ATOM 0 HG3 GLN A 75 9.670 8.198 6.275 1.00 0.00 H new ATOM 0 HE21 GLN A 75 9.974 11.514 6.353 1.00 0.00 H new ATOM 0 HE22 GLN A 75 9.287 11.904 4.773 1.00 0.00 H new ATOM 206 N TYR A 76 5.824 6.485 8.366 1.00 0.00 N ATOM 207 CA TYR A 76 4.515 6.140 8.983 1.00 0.00 C ATOM 208 C TYR A 76 4.772 5.232 10.183 1.00 0.00 C ATOM 209 O TYR A 76 3.895 4.964 10.977 1.00 0.00 O ATOM 210 CB TYR A 76 3.643 5.414 7.955 1.00 0.00 C ATOM 211 CG TYR A 76 2.261 5.198 8.524 1.00 0.00 C ATOM 212 CD1 TYR A 76 1.320 6.235 8.485 1.00 0.00 C ATOM 213 CD2 TYR A 76 1.921 3.965 9.089 1.00 0.00 C ATOM 214 CE1 TYR A 76 0.038 6.036 9.011 1.00 0.00 C ATOM 215 CE2 TYR A 76 0.637 3.765 9.615 1.00 0.00 C ATOM 216 CZ TYR A 76 -0.303 4.802 9.576 1.00 0.00 C ATOM 217 OH TYR A 76 -1.566 4.605 10.095 1.00 0.00 O ATOM 0 H TYR A 76 6.002 6.054 7.459 1.00 0.00 H new ATOM 0 HA TYR A 76 3.998 7.043 9.307 1.00 0.00 H new ATOM 0 HB2 TYR A 76 3.582 5.999 7.037 1.00 0.00 H new ATOM 0 HB3 TYR A 76 4.093 4.456 7.693 1.00 0.00 H new ATOM 0 HD1 TYR A 76 1.583 7.187 8.049 1.00 0.00 H new ATOM 0 HD2 TYR A 76 2.648 3.167 9.120 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -0.688 6.835 8.981 1.00 0.00 H new ATOM 0 HE2 TYR A 76 0.373 2.812 10.050 1.00 0.00 H new ATOM 0 HH TYR A 76 -2.210 5.160 9.608 1.00 0.00 H new ATOM 227 N ALA A 77 5.984 4.766 10.317 1.00 0.00 N ATOM 228 CA ALA A 77 6.327 3.883 11.459 1.00 0.00 C ATOM 229 C ALA A 77 6.156 4.662 12.765 1.00 0.00 C ATOM 230 O ALA A 77 5.783 4.114 13.783 1.00 0.00 O ATOM 231 CB ALA A 77 7.779 3.414 11.316 1.00 0.00 C ATOM 0 H ALA A 77 6.754 4.963 9.678 1.00 0.00 H new ATOM 0 HA ALA A 77 5.669 3.014 11.469 1.00 0.00 H new ATOM 0 HB1 ALA A 77 8.036 2.765 12.153 1.00 0.00 H new ATOM 0 HB2 ALA A 77 7.893 2.864 10.382 1.00 0.00 H new ATOM 0 HB3 ALA A 77 8.442 4.279 11.311 1.00 0.00 H new ATOM 237 N ASN A 78 6.430 5.939 12.742 1.00 0.00 N ATOM 238 CA ASN A 78 6.286 6.753 13.979 1.00 0.00 C ATOM 239 C ASN A 78 4.801 6.965 14.282 1.00 0.00 C ATOM 240 O ASN A 78 4.432 7.358 15.371 1.00 0.00 O ATOM 241 CB ASN A 78 6.970 8.108 13.777 1.00 0.00 C ATOM 242 CG ASN A 78 6.344 8.828 12.580 1.00 0.00 C ATOM 243 OD1 ASN A 78 5.307 8.428 12.091 1.00 0.00 O ATOM 244 ND2 ASN A 78 6.935 9.882 12.084 1.00 0.00 N ATOM 0 H ASN A 78 6.747 6.452 11.919 1.00 0.00 H new ATOM 0 HA ASN A 78 6.752 6.232 14.815 1.00 0.00 H new ATOM 0 HB2 ASN A 78 6.865 8.717 14.675 1.00 0.00 H new ATOM 0 HB3 ASN A 78 8.038 7.966 13.611 1.00 0.00 H new ATOM 0 HD21 ASN A 78 6.525 10.368 11.287 1.00 0.00 H new ATOM 0 HD22 ASN A 78 7.806 10.219 12.494 1.00 0.00 H new ATOM 251 N ASP A 79 3.947 6.706 13.329 1.00 0.00 N ATOM 252 CA ASP A 79 2.487 6.893 13.564 1.00 0.00 C ATOM 253 C ASP A 79 1.905 5.659 14.260 1.00 0.00 C ATOM 254 O ASP A 79 2.539 4.625 14.337 1.00 0.00 O ATOM 255 CB ASP A 79 1.778 7.084 12.225 1.00 0.00 C ATOM 256 CG ASP A 79 2.237 8.393 11.581 1.00 0.00 C ATOM 257 OD1 ASP A 79 2.766 9.228 12.296 1.00 0.00 O ATOM 258 OD2 ASP A 79 2.056 8.534 10.384 1.00 0.00 O ATOM 0 H ASP A 79 4.197 6.373 12.398 1.00 0.00 H new ATOM 0 HA ASP A 79 2.340 7.770 14.195 1.00 0.00 H new ATOM 0 HB2 ASP A 79 1.997 6.246 11.564 1.00 0.00 H new ATOM 0 HB3 ASP A 79 0.698 7.099 12.373 1.00 0.00 H new ATOM 263 N VAL A 80 0.695 5.768 14.747 1.00 0.00 N ATOM 264 CA VAL A 80 0.018 4.622 15.437 1.00 0.00 C ATOM 265 C VAL A 80 1.015 3.812 16.269 1.00 0.00 C ATOM 266 O VAL A 80 2.086 4.274 16.609 1.00 0.00 O ATOM 267 CB VAL A 80 -0.656 3.698 14.406 1.00 0.00 C ATOM 268 CG1 VAL A 80 -1.721 4.481 13.640 1.00 0.00 C ATOM 269 CG2 VAL A 80 0.372 3.140 13.409 1.00 0.00 C ATOM 0 H VAL A 80 0.135 6.619 14.695 1.00 0.00 H new ATOM 0 HA VAL A 80 -0.738 5.037 16.103 1.00 0.00 H new ATOM 0 HB VAL A 80 -1.111 2.864 14.940 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -2.198 3.827 12.910 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -2.471 4.854 14.338 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -1.255 5.321 13.125 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -0.131 2.491 12.692 1.00 0.00 H new ATOM 0 HG22 VAL A 80 0.849 3.964 12.879 1.00 0.00 H new ATOM 0 HG23 VAL A 80 1.128 2.569 13.947 1.00 0.00 H new ATOM 279 N LYS A 81 0.659 2.602 16.608 1.00 0.00 N ATOM 280 CA LYS A 81 1.565 1.748 17.423 1.00 0.00 C ATOM 281 C LYS A 81 2.516 0.967 16.514 1.00 0.00 C ATOM 282 O LYS A 81 2.248 0.756 15.348 1.00 0.00 O ATOM 283 CB LYS A 81 0.731 0.768 18.242 1.00 0.00 C ATOM 284 CG LYS A 81 -0.027 1.537 19.325 1.00 0.00 C ATOM 285 CD LYS A 81 -0.937 0.578 20.104 1.00 0.00 C ATOM 286 CE LYS A 81 -0.106 -0.278 21.070 1.00 0.00 C ATOM 287 NZ LYS A 81 -1.016 -0.966 22.030 1.00 0.00 N ATOM 0 H LYS A 81 -0.228 2.167 16.352 1.00 0.00 H new ATOM 0 HA LYS A 81 2.151 2.384 18.087 1.00 0.00 H new ATOM 0 HB2 LYS A 81 0.030 0.240 17.596 1.00 0.00 H new ATOM 0 HB3 LYS A 81 1.375 0.015 18.697 1.00 0.00 H new ATOM 0 HG2 LYS A 81 0.678 2.016 20.004 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -0.622 2.330 18.872 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -1.683 1.145 20.660 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -1.478 -0.066 19.410 1.00 0.00 H new ATOM 0 HE2 LYS A 81 0.476 -1.013 20.514 1.00 0.00 H new ATOM 0 HE3 LYS A 81 0.604 0.349 21.610 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -0.455 -1.546 22.685 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -1.553 -0.257 22.569 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -1.676 -1.575 21.506 1.00 0.00 H new ATOM 301 N VAL A 82 3.626 0.536 17.049 1.00 0.00 N ATOM 302 CA VAL A 82 4.610 -0.236 16.239 1.00 0.00 C ATOM 303 C VAL A 82 3.983 -1.567 15.801 1.00 0.00 C ATOM 304 O VAL A 82 4.193 -2.027 14.696 1.00 0.00 O ATOM 305 CB VAL A 82 5.855 -0.504 17.088 1.00 0.00 C ATOM 306 CG1 VAL A 82 6.370 0.817 17.667 1.00 0.00 C ATOM 307 CG2 VAL A 82 5.498 -1.450 18.239 1.00 0.00 C ATOM 0 H VAL A 82 3.895 0.687 18.021 1.00 0.00 H new ATOM 0 HA VAL A 82 4.888 0.335 15.353 1.00 0.00 H new ATOM 0 HB VAL A 82 6.625 -0.959 16.465 1.00 0.00 H new ATOM 0 HG11 VAL A 82 7.257 0.628 18.272 1.00 0.00 H new ATOM 0 HG12 VAL A 82 6.624 1.496 16.853 1.00 0.00 H new ATOM 0 HG13 VAL A 82 5.596 1.268 18.288 1.00 0.00 H new ATOM 0 HG21 VAL A 82 6.386 -1.640 18.843 1.00 0.00 H new ATOM 0 HG22 VAL A 82 4.728 -0.993 18.860 1.00 0.00 H new ATOM 0 HG23 VAL A 82 5.126 -2.391 17.834 1.00 0.00 H new ATOM 317 N SER A 83 3.224 -2.189 16.661 1.00 0.00 N ATOM 318 CA SER A 83 2.588 -3.489 16.300 1.00 0.00 C ATOM 319 C SER A 83 1.687 -3.293 15.078 1.00 0.00 C ATOM 320 O SER A 83 1.662 -4.106 14.175 1.00 0.00 O ATOM 321 CB SER A 83 1.748 -3.978 17.478 1.00 0.00 C ATOM 322 OG SER A 83 2.589 -4.150 18.611 1.00 0.00 O ATOM 0 H SER A 83 3.016 -1.852 17.601 1.00 0.00 H new ATOM 0 HA SER A 83 3.359 -4.224 16.067 1.00 0.00 H new ATOM 0 HB2 SER A 83 0.959 -3.259 17.701 1.00 0.00 H new ATOM 0 HB3 SER A 83 1.260 -4.919 17.226 1.00 0.00 H new ATOM 0 HG SER A 83 2.055 -4.462 19.371 1.00 0.00 H new ATOM 328 N SER A 84 0.951 -2.218 15.045 1.00 0.00 N ATOM 329 CA SER A 84 0.054 -1.953 13.886 1.00 0.00 C ATOM 330 C SER A 84 0.897 -1.789 12.621 1.00 0.00 C ATOM 331 O SER A 84 0.530 -2.238 11.552 1.00 0.00 O ATOM 332 CB SER A 84 -0.738 -0.675 14.146 1.00 0.00 C ATOM 333 OG SER A 84 -1.628 -0.445 13.062 1.00 0.00 O ATOM 0 H SER A 84 0.932 -1.507 15.776 1.00 0.00 H new ATOM 0 HA SER A 84 -0.636 -2.787 13.754 1.00 0.00 H new ATOM 0 HB2 SER A 84 -1.297 -0.763 15.078 1.00 0.00 H new ATOM 0 HB3 SER A 84 -0.059 0.170 14.260 1.00 0.00 H new ATOM 0 HG SER A 84 -2.424 0.025 13.387 1.00 0.00 H new ATOM 339 N VAL A 85 2.020 -1.136 12.733 1.00 0.00 N ATOM 340 CA VAL A 85 2.894 -0.928 11.546 1.00 0.00 C ATOM 341 C VAL A 85 3.339 -2.285 10.996 1.00 0.00 C ATOM 342 O VAL A 85 3.319 -2.516 9.805 1.00 0.00 O ATOM 343 CB VAL A 85 4.123 -0.124 11.967 1.00 0.00 C ATOM 344 CG1 VAL A 85 5.088 -0.002 10.786 1.00 0.00 C ATOM 345 CG2 VAL A 85 3.690 1.272 12.428 1.00 0.00 C ATOM 0 H VAL A 85 2.372 -0.735 13.602 1.00 0.00 H new ATOM 0 HA VAL A 85 2.345 -0.387 10.775 1.00 0.00 H new ATOM 0 HB VAL A 85 4.625 -0.635 12.789 1.00 0.00 H new ATOM 0 HG11 VAL A 85 5.964 0.572 11.089 1.00 0.00 H new ATOM 0 HG12 VAL A 85 5.399 -0.996 10.466 1.00 0.00 H new ATOM 0 HG13 VAL A 85 4.590 0.506 9.960 1.00 0.00 H new ATOM 0 HG21 VAL A 85 4.568 1.845 12.728 1.00 0.00 H new ATOM 0 HG22 VAL A 85 3.185 1.785 11.610 1.00 0.00 H new ATOM 0 HG23 VAL A 85 3.009 1.181 13.275 1.00 0.00 H new ATOM 355 N ARG A 86 3.743 -3.182 11.852 1.00 0.00 N ATOM 356 CA ARG A 86 4.190 -4.519 11.373 1.00 0.00 C ATOM 357 C ARG A 86 3.019 -5.234 10.688 1.00 0.00 C ATOM 358 O ARG A 86 3.170 -5.828 9.639 1.00 0.00 O ATOM 359 CB ARG A 86 4.659 -5.348 12.570 1.00 0.00 C ATOM 360 CG ARG A 86 5.986 -4.794 13.100 1.00 0.00 C ATOM 361 CD ARG A 86 6.418 -5.599 14.329 1.00 0.00 C ATOM 362 NE ARG A 86 7.739 -5.098 14.814 1.00 0.00 N ATOM 363 CZ ARG A 86 7.801 -4.093 15.651 1.00 0.00 C ATOM 364 NH1 ARG A 86 6.708 -3.514 16.064 1.00 0.00 N ATOM 365 NH2 ARG A 86 8.962 -3.668 16.071 1.00 0.00 N ATOM 0 H ARG A 86 3.783 -3.047 12.862 1.00 0.00 H new ATOM 0 HA ARG A 86 5.008 -4.400 10.663 1.00 0.00 H new ATOM 0 HB2 ARG A 86 3.905 -5.325 13.357 1.00 0.00 H new ATOM 0 HB3 ARG A 86 4.782 -6.390 12.276 1.00 0.00 H new ATOM 0 HG2 ARG A 86 6.752 -4.851 12.326 1.00 0.00 H new ATOM 0 HG3 ARG A 86 5.875 -3.742 13.361 1.00 0.00 H new ATOM 0 HD2 ARG A 86 5.671 -5.508 15.117 1.00 0.00 H new ATOM 0 HD3 ARG A 86 6.489 -6.657 14.077 1.00 0.00 H new ATOM 0 HE ARG A 86 8.599 -5.542 14.491 1.00 0.00 H new ATOM 0 HH11 ARG A 86 5.801 -3.844 15.735 1.00 0.00 H new ATOM 0 HH12 ARG A 86 6.761 -2.731 16.716 1.00 0.00 H new ATOM 0 HH21 ARG A 86 9.818 -4.119 15.747 1.00 0.00 H new ATOM 0 HH22 ARG A 86 9.013 -2.885 16.723 1.00 0.00 H new ATOM 379 N ALA A 87 1.853 -5.180 11.275 1.00 0.00 N ATOM 380 CA ALA A 87 0.672 -5.852 10.664 1.00 0.00 C ATOM 381 C ALA A 87 0.288 -5.147 9.357 1.00 0.00 C ATOM 382 O ALA A 87 0.071 -5.775 8.338 1.00 0.00 O ATOM 383 CB ALA A 87 -0.498 -5.776 11.642 1.00 0.00 C ATOM 0 H ALA A 87 1.668 -4.697 12.154 1.00 0.00 H new ATOM 0 HA ALA A 87 0.915 -6.893 10.449 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -1.369 -6.265 11.206 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -0.228 -6.277 12.572 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -0.733 -4.732 11.848 1.00 0.00 H new ATOM 389 N ARG A 88 0.196 -3.845 9.389 1.00 0.00 N ATOM 390 CA ARG A 88 -0.180 -3.084 8.163 1.00 0.00 C ATOM 391 C ARG A 88 0.920 -3.220 7.110 1.00 0.00 C ATOM 392 O ARG A 88 0.656 -3.365 5.933 1.00 0.00 O ATOM 393 CB ARG A 88 -0.347 -1.607 8.526 1.00 0.00 C ATOM 394 CG ARG A 88 -1.609 -1.420 9.372 1.00 0.00 C ATOM 395 CD ARG A 88 -1.737 0.049 9.785 1.00 0.00 C ATOM 396 NE ARG A 88 -2.953 0.213 10.631 1.00 0.00 N ATOM 397 CZ ARG A 88 -3.256 1.380 11.135 1.00 0.00 C ATOM 398 NH1 ARG A 88 -2.503 2.418 10.890 1.00 0.00 N ATOM 399 NH2 ARG A 88 -4.320 1.509 11.882 1.00 0.00 N ATOM 0 H ARG A 88 0.366 -3.273 10.216 1.00 0.00 H new ATOM 0 HA ARG A 88 -1.113 -3.480 7.762 1.00 0.00 H new ATOM 0 HB2 ARG A 88 0.526 -1.258 9.077 1.00 0.00 H new ATOM 0 HB3 ARG A 88 -0.414 -1.006 7.619 1.00 0.00 H new ATOM 0 HG2 ARG A 88 -2.488 -1.727 8.805 1.00 0.00 H new ATOM 0 HG3 ARG A 88 -1.563 -2.055 10.257 1.00 0.00 H new ATOM 0 HD2 ARG A 88 -0.850 0.363 10.336 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -1.805 0.684 8.901 1.00 0.00 H new ATOM 0 HE ARG A 88 -3.553 -0.591 10.818 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -1.675 2.320 10.303 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -2.743 3.327 11.285 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -4.912 0.700 12.071 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -4.559 2.419 12.277 1.00 0.00 H new ATOM 413 N GLU A 89 2.154 -3.170 7.527 1.00 0.00 N ATOM 414 CA GLU A 89 3.281 -3.287 6.561 1.00 0.00 C ATOM 415 C GLU A 89 3.271 -4.685 5.943 1.00 0.00 C ATOM 416 O GLU A 89 3.577 -4.864 4.782 1.00 0.00 O ATOM 417 CB GLU A 89 4.601 -3.062 7.299 1.00 0.00 C ATOM 418 CG GLU A 89 5.763 -3.108 6.303 1.00 0.00 C ATOM 419 CD GLU A 89 7.075 -2.823 7.035 1.00 0.00 C ATOM 420 OE1 GLU A 89 7.013 -2.342 8.155 1.00 0.00 O ATOM 421 OE2 GLU A 89 8.118 -3.092 6.465 1.00 0.00 O ATOM 0 H GLU A 89 2.432 -3.052 8.501 1.00 0.00 H new ATOM 0 HA GLU A 89 3.173 -2.541 5.774 1.00 0.00 H new ATOM 0 HB2 GLU A 89 4.584 -2.099 7.809 1.00 0.00 H new ATOM 0 HB3 GLU A 89 4.735 -3.826 8.065 1.00 0.00 H new ATOM 0 HG2 GLU A 89 5.807 -4.086 5.824 1.00 0.00 H new ATOM 0 HG3 GLU A 89 5.608 -2.373 5.513 1.00 0.00 H new ATOM 428 N LYS A 90 2.923 -5.676 6.714 1.00 0.00 N ATOM 429 CA LYS A 90 2.893 -7.063 6.178 1.00 0.00 C ATOM 430 C LYS A 90 1.894 -7.139 5.021 1.00 0.00 C ATOM 431 O LYS A 90 2.183 -7.682 3.973 1.00 0.00 O ATOM 432 CB LYS A 90 2.456 -8.013 7.294 1.00 0.00 C ATOM 433 CG LYS A 90 2.517 -9.459 6.800 1.00 0.00 C ATOM 434 CD LYS A 90 2.175 -10.407 7.952 1.00 0.00 C ATOM 435 CE LYS A 90 2.263 -11.853 7.463 1.00 0.00 C ATOM 436 NZ LYS A 90 1.166 -12.114 6.488 1.00 0.00 N ATOM 0 H LYS A 90 2.658 -5.584 7.695 1.00 0.00 H new ATOM 0 HA LYS A 90 3.882 -7.345 5.818 1.00 0.00 H new ATOM 0 HB2 LYS A 90 3.102 -7.889 8.163 1.00 0.00 H new ATOM 0 HB3 LYS A 90 1.442 -7.771 7.613 1.00 0.00 H new ATOM 0 HG2 LYS A 90 1.817 -9.603 5.977 1.00 0.00 H new ATOM 0 HG3 LYS A 90 3.512 -9.681 6.415 1.00 0.00 H new ATOM 0 HD2 LYS A 90 2.863 -10.250 8.783 1.00 0.00 H new ATOM 0 HD3 LYS A 90 1.172 -10.198 8.324 1.00 0.00 H new ATOM 0 HE2 LYS A 90 3.231 -12.032 6.995 1.00 0.00 H new ATOM 0 HE3 LYS A 90 2.186 -12.539 8.306 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 0.654 -12.976 6.764 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 0.509 -11.308 6.481 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 1.569 -12.241 5.538 1.00 0.00 H new ATOM 450 N ALA A 91 0.720 -6.602 5.204 1.00 0.00 N ATOM 451 CA ALA A 91 -0.298 -6.644 4.118 1.00 0.00 C ATOM 452 C ALA A 91 0.118 -5.721 2.964 1.00 0.00 C ATOM 453 O ALA A 91 0.003 -6.070 1.805 1.00 0.00 O ATOM 454 CB ALA A 91 -1.644 -6.187 4.684 1.00 0.00 C ATOM 0 H ALA A 91 0.421 -6.135 6.060 1.00 0.00 H new ATOM 0 HA ALA A 91 -0.380 -7.662 3.737 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -2.398 -6.214 3.897 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -1.942 -6.852 5.495 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -1.552 -5.170 5.064 1.00 0.00 H new ATOM 460 N ILE A 92 0.587 -4.543 3.276 1.00 0.00 N ATOM 461 CA ILE A 92 1.000 -3.584 2.209 1.00 0.00 C ATOM 462 C ILE A 92 2.206 -4.138 1.445 1.00 0.00 C ATOM 463 O ILE A 92 2.279 -4.055 0.234 1.00 0.00 O ATOM 464 CB ILE A 92 1.377 -2.244 2.849 1.00 0.00 C ATOM 465 CG1 ILE A 92 0.128 -1.603 3.462 1.00 0.00 C ATOM 466 CG2 ILE A 92 1.952 -1.307 1.783 1.00 0.00 C ATOM 467 CD1 ILE A 92 0.544 -0.429 4.352 1.00 0.00 C ATOM 0 H ILE A 92 0.703 -4.201 4.230 1.00 0.00 H new ATOM 0 HA ILE A 92 0.171 -3.442 1.515 1.00 0.00 H new ATOM 0 HB ILE A 92 2.123 -2.413 3.625 1.00 0.00 H new ATOM 0 HG12 ILE A 92 -0.541 -1.257 2.674 1.00 0.00 H new ATOM 0 HG13 ILE A 92 -0.423 -2.340 4.047 1.00 0.00 H new ATOM 0 HG21 ILE A 92 2.219 -0.355 2.241 1.00 0.00 H new ATOM 0 HG22 ILE A 92 2.840 -1.759 1.342 1.00 0.00 H new ATOM 0 HG23 ILE A 92 1.206 -1.139 1.006 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -0.344 0.029 4.789 1.00 0.00 H new ATOM 0 HD12 ILE A 92 1.196 -0.789 5.148 1.00 0.00 H new ATOM 0 HD13 ILE A 92 1.076 0.311 3.754 1.00 0.00 H new ATOM 479 N GLN A 93 3.162 -4.682 2.151 1.00 0.00 N ATOM 480 CA GLN A 93 4.381 -5.225 1.483 1.00 0.00 C ATOM 481 C GLN A 93 3.983 -6.029 0.241 1.00 0.00 C ATOM 482 O GLN A 93 4.683 -6.042 -0.751 1.00 0.00 O ATOM 483 CB GLN A 93 5.126 -6.131 2.468 1.00 0.00 C ATOM 484 CG GLN A 93 6.442 -6.614 1.852 1.00 0.00 C ATOM 485 CD GLN A 93 7.368 -5.420 1.618 1.00 0.00 C ATOM 486 OE1 GLN A 93 7.446 -4.528 2.439 1.00 0.00 O ATOM 487 NE2 GLN A 93 8.076 -5.363 0.524 1.00 0.00 N ATOM 0 H GLN A 93 3.151 -4.774 3.167 1.00 0.00 H new ATOM 0 HA GLN A 93 5.027 -4.402 1.177 1.00 0.00 H new ATOM 0 HB2 GLN A 93 5.326 -5.589 3.392 1.00 0.00 H new ATOM 0 HB3 GLN A 93 4.503 -6.986 2.729 1.00 0.00 H new ATOM 0 HG2 GLN A 93 6.922 -7.335 2.514 1.00 0.00 H new ATOM 0 HG3 GLN A 93 6.248 -7.126 0.910 1.00 0.00 H new ATOM 0 HE21 GLN A 93 8.011 -6.112 -0.165 1.00 0.00 H new ATOM 0 HE22 GLN A 93 8.695 -4.570 0.358 1.00 0.00 H new ATOM 496 N HIS A 94 2.864 -6.697 0.287 1.00 0.00 N ATOM 497 CA HIS A 94 2.427 -7.493 -0.891 1.00 0.00 C ATOM 498 C HIS A 94 2.224 -6.566 -2.097 1.00 0.00 C ATOM 499 O HIS A 94 2.583 -6.897 -3.210 1.00 0.00 O ATOM 500 CB HIS A 94 1.114 -8.208 -0.559 1.00 0.00 C ATOM 501 CG HIS A 94 1.388 -9.392 0.331 1.00 0.00 C ATOM 502 ND1 HIS A 94 2.305 -10.377 -0.008 1.00 0.00 N ATOM 503 CD2 HIS A 94 0.862 -9.772 1.542 1.00 0.00 C ATOM 504 CE1 HIS A 94 2.301 -11.291 0.980 1.00 0.00 C ATOM 505 NE2 HIS A 94 1.439 -10.971 1.949 1.00 0.00 N ATOM 0 H HIS A 94 2.235 -6.725 1.089 1.00 0.00 H new ATOM 0 HA HIS A 94 3.191 -8.231 -1.136 1.00 0.00 H new ATOM 0 HB2 HIS A 94 0.430 -7.519 -0.063 1.00 0.00 H new ATOM 0 HB3 HIS A 94 0.626 -8.537 -1.477 1.00 0.00 H new ATOM 0 HD2 HIS A 94 0.114 -9.223 2.095 1.00 0.00 H new ATOM 0 HE1 HIS A 94 2.920 -12.176 0.988 1.00 0.00 H new ATOM 0 HE2 HIS A 94 1.245 -11.493 2.803 1.00 0.00 H new ATOM 513 N ALA A 95 1.656 -5.407 -1.890 1.00 0.00 N ATOM 514 CA ALA A 95 1.440 -4.467 -3.028 1.00 0.00 C ATOM 515 C ALA A 95 2.794 -4.027 -3.586 1.00 0.00 C ATOM 516 O ALA A 95 2.976 -3.896 -4.779 1.00 0.00 O ATOM 517 CB ALA A 95 0.672 -3.239 -2.531 1.00 0.00 C ATOM 0 H ALA A 95 1.333 -5.071 -0.983 1.00 0.00 H new ATOM 0 HA ALA A 95 0.867 -4.965 -3.811 1.00 0.00 H new ATOM 0 HB1 ALA A 95 0.512 -2.550 -3.360 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -0.291 -3.551 -2.128 1.00 0.00 H new ATOM 0 HB3 ALA A 95 1.248 -2.741 -1.751 1.00 0.00 H new ATOM 523 N ILE A 96 3.746 -3.795 -2.726 1.00 0.00 N ATOM 524 CA ILE A 96 5.090 -3.361 -3.196 1.00 0.00 C ATOM 525 C ILE A 96 5.708 -4.483 -4.038 1.00 0.00 C ATOM 526 O ILE A 96 6.268 -4.245 -5.090 1.00 0.00 O ATOM 527 CB ILE A 96 5.975 -3.067 -1.971 1.00 0.00 C ATOM 528 CG1 ILE A 96 5.628 -1.684 -1.404 1.00 0.00 C ATOM 529 CG2 ILE A 96 7.458 -3.084 -2.367 1.00 0.00 C ATOM 530 CD1 ILE A 96 4.120 -1.582 -1.166 1.00 0.00 C ATOM 0 H ILE A 96 3.650 -3.888 -1.715 1.00 0.00 H new ATOM 0 HA ILE A 96 5.009 -2.460 -3.804 1.00 0.00 H new ATOM 0 HB ILE A 96 5.794 -3.835 -1.219 1.00 0.00 H new ATOM 0 HG12 ILE A 96 6.164 -1.519 -0.469 1.00 0.00 H new ATOM 0 HG13 ILE A 96 5.949 -0.906 -2.097 1.00 0.00 H new ATOM 0 HG21 ILE A 96 8.071 -2.874 -1.490 1.00 0.00 H new ATOM 0 HG22 ILE A 96 7.717 -4.065 -2.765 1.00 0.00 H new ATOM 0 HG23 ILE A 96 7.640 -2.324 -3.127 1.00 0.00 H new ATOM 0 HD11 ILE A 96 3.881 -0.598 -0.763 1.00 0.00 H new ATOM 0 HD12 ILE A 96 3.592 -1.726 -2.109 1.00 0.00 H new ATOM 0 HD13 ILE A 96 3.811 -2.349 -0.456 1.00 0.00 H new ATOM 542 N GLU A 97 5.622 -5.697 -3.573 1.00 0.00 N ATOM 543 CA GLU A 97 6.214 -6.836 -4.329 1.00 0.00 C ATOM 544 C GLU A 97 5.458 -7.027 -5.648 1.00 0.00 C ATOM 545 O GLU A 97 6.050 -7.233 -6.690 1.00 0.00 O ATOM 546 CB GLU A 97 6.091 -8.100 -3.479 1.00 0.00 C ATOM 547 CG GLU A 97 6.871 -9.244 -4.129 1.00 0.00 C ATOM 548 CD GLU A 97 8.373 -8.981 -3.999 1.00 0.00 C ATOM 549 OE1 GLU A 97 8.732 -8.028 -3.326 1.00 0.00 O ATOM 550 OE2 GLU A 97 9.139 -9.739 -4.571 1.00 0.00 O ATOM 0 H GLU A 97 5.165 -5.951 -2.697 1.00 0.00 H new ATOM 0 HA GLU A 97 7.262 -6.634 -4.548 1.00 0.00 H new ATOM 0 HB2 GLU A 97 6.473 -7.912 -2.476 1.00 0.00 H new ATOM 0 HB3 GLU A 97 5.042 -8.377 -3.374 1.00 0.00 H new ATOM 0 HG2 GLU A 97 6.615 -10.190 -3.651 1.00 0.00 H new ATOM 0 HG3 GLU A 97 6.597 -9.333 -5.180 1.00 0.00 H new ATOM 557 N ARG A 98 4.155 -6.965 -5.605 1.00 0.00 N ATOM 558 CA ARG A 98 3.348 -7.150 -6.845 1.00 0.00 C ATOM 559 C ARG A 98 3.605 -6.002 -7.821 1.00 0.00 C ATOM 560 O ARG A 98 3.712 -6.207 -9.015 1.00 0.00 O ATOM 561 CB ARG A 98 1.863 -7.177 -6.477 1.00 0.00 C ATOM 562 CG ARG A 98 1.538 -8.481 -5.743 1.00 0.00 C ATOM 563 CD ARG A 98 0.068 -8.478 -5.311 1.00 0.00 C ATOM 564 NE ARG A 98 -0.244 -9.769 -4.634 1.00 0.00 N ATOM 565 CZ ARG A 98 -1.413 -9.959 -4.077 1.00 0.00 C ATOM 566 NH1 ARG A 98 -2.317 -9.020 -4.113 1.00 0.00 N ATOM 567 NH2 ARG A 98 -1.673 -11.093 -3.485 1.00 0.00 N ATOM 0 H ARG A 98 3.612 -6.793 -4.759 1.00 0.00 H new ATOM 0 HA ARG A 98 3.634 -8.089 -7.320 1.00 0.00 H new ATOM 0 HB2 ARG A 98 1.619 -6.322 -5.846 1.00 0.00 H new ATOM 0 HB3 ARG A 98 1.254 -7.093 -7.377 1.00 0.00 H new ATOM 0 HG2 ARG A 98 1.734 -9.334 -6.393 1.00 0.00 H new ATOM 0 HG3 ARG A 98 2.183 -8.589 -4.871 1.00 0.00 H new ATOM 0 HD2 ARG A 98 -0.124 -7.644 -4.636 1.00 0.00 H new ATOM 0 HD3 ARG A 98 -0.578 -8.342 -6.178 1.00 0.00 H new ATOM 0 HE ARG A 98 0.458 -10.509 -4.605 1.00 0.00 H new ATOM 0 HH11 ARG A 98 -2.114 -8.134 -4.576 1.00 0.00 H new ATOM 0 HH12 ARG A 98 -3.227 -9.171 -3.678 1.00 0.00 H new ATOM 0 HH21 ARG A 98 -0.966 -11.828 -3.457 1.00 0.00 H new ATOM 0 HH22 ARG A 98 -2.583 -11.244 -3.050 1.00 0.00 H new ATOM 581 N PHE A 99 3.696 -4.792 -7.327 1.00 0.00 N ATOM 582 CA PHE A 99 3.935 -3.625 -8.228 1.00 0.00 C ATOM 583 C PHE A 99 5.426 -3.278 -8.223 1.00 0.00 C ATOM 584 O PHE A 99 5.825 -2.196 -8.603 1.00 0.00 O ATOM 585 CB PHE A 99 3.109 -2.425 -7.742 1.00 0.00 C ATOM 586 CG PHE A 99 1.627 -2.773 -7.761 1.00 0.00 C ATOM 587 CD1 PHE A 99 1.000 -3.142 -8.963 1.00 0.00 C ATOM 588 CD2 PHE A 99 0.877 -2.727 -6.575 1.00 0.00 C ATOM 589 CE1 PHE A 99 -0.364 -3.463 -8.975 1.00 0.00 C ATOM 590 CE2 PHE A 99 -0.487 -3.047 -6.591 1.00 0.00 C ATOM 591 CZ PHE A 99 -1.106 -3.416 -7.791 1.00 0.00 C ATOM 0 H PHE A 99 3.615 -4.563 -6.336 1.00 0.00 H new ATOM 0 HA PHE A 99 3.631 -3.875 -9.245 1.00 0.00 H new ATOM 0 HB2 PHE A 99 3.413 -2.148 -6.733 1.00 0.00 H new ATOM 0 HB3 PHE A 99 3.297 -1.561 -8.380 1.00 0.00 H new ATOM 0 HD1 PHE A 99 1.570 -3.178 -9.879 1.00 0.00 H new ATOM 0 HD2 PHE A 99 1.353 -2.444 -5.648 1.00 0.00 H new ATOM 0 HE1 PHE A 99 -0.843 -3.747 -9.900 1.00 0.00 H new ATOM 0 HE2 PHE A 99 -1.061 -3.009 -5.677 1.00 0.00 H new ATOM 0 HZ PHE A 99 -2.157 -3.664 -7.802 1.00 0.00 H new ATOM 601 N ASN A 100 6.254 -4.196 -7.796 1.00 0.00 N ATOM 602 CA ASN A 100 7.721 -3.933 -7.768 1.00 0.00 C ATOM 603 C ASN A 100 8.243 -3.723 -9.189 1.00 0.00 C ATOM 604 O ASN A 100 9.053 -2.852 -9.439 1.00 0.00 O ATOM 605 CB ASN A 100 8.433 -5.134 -7.149 1.00 0.00 C ATOM 606 CG ASN A 100 9.946 -4.928 -7.209 1.00 0.00 C ATOM 607 OD1 ASN A 100 10.422 -3.811 -7.196 1.00 0.00 O ATOM 608 ND2 ASN A 100 10.728 -5.971 -7.275 1.00 0.00 N ATOM 0 H ASN A 100 5.975 -5.119 -7.465 1.00 0.00 H new ATOM 0 HA ASN A 100 7.913 -3.037 -7.178 1.00 0.00 H new ATOM 0 HB2 ASN A 100 8.115 -5.263 -6.114 1.00 0.00 H new ATOM 0 HB3 ASN A 100 8.160 -6.045 -7.682 1.00 0.00 H new ATOM 0 HD21 ASN A 100 11.740 -5.848 -7.316 1.00 0.00 H new ATOM 0 HD22 ASN A 100 10.327 -6.909 -7.286 1.00 0.00 H new ATOM 615 N THR A 101 7.791 -4.518 -10.123 1.00 0.00 N ATOM 616 CA THR A 101 8.265 -4.370 -11.531 1.00 0.00 C ATOM 617 C THR A 101 7.282 -3.497 -12.305 1.00 0.00 C ATOM 618 O THR A 101 7.529 -3.134 -13.435 1.00 0.00 O ATOM 619 CB THR A 101 8.352 -5.747 -12.188 1.00 0.00 C ATOM 620 OG1 THR A 101 7.044 -6.276 -12.346 1.00 0.00 O ATOM 621 CG2 THR A 101 9.182 -6.681 -11.305 1.00 0.00 C ATOM 0 H THR A 101 7.113 -5.265 -9.971 1.00 0.00 H new ATOM 0 HA THR A 101 9.250 -3.904 -11.537 1.00 0.00 H new ATOM 0 HB THR A 101 8.827 -5.658 -13.165 1.00 0.00 H new ATOM 0 HG1 THR A 101 7.097 -7.159 -12.769 1.00 0.00 H new ATOM 0 HG21 THR A 101 9.245 -7.664 -11.773 1.00 0.00 H new ATOM 0 HG22 THR A 101 10.185 -6.272 -11.185 1.00 0.00 H new ATOM 0 HG23 THR A 101 8.708 -6.774 -10.328 1.00 0.00 H new ATOM 629 N LYS A 102 6.171 -3.154 -11.700 1.00 0.00 N ATOM 630 CA LYS A 102 5.161 -2.290 -12.388 1.00 0.00 C ATOM 631 C LYS A 102 5.204 -0.881 -11.770 1.00 0.00 C ATOM 632 O LYS A 102 4.703 -0.673 -10.682 1.00 0.00 O ATOM 633 CB LYS A 102 3.764 -2.879 -12.192 1.00 0.00 C ATOM 634 CG LYS A 102 3.806 -4.390 -12.439 1.00 0.00 C ATOM 635 CD LYS A 102 4.301 -4.662 -13.865 1.00 0.00 C ATOM 636 CE LYS A 102 3.969 -6.102 -14.259 1.00 0.00 C ATOM 637 NZ LYS A 102 4.774 -6.488 -15.452 1.00 0.00 N ATOM 0 H LYS A 102 5.919 -3.437 -10.753 1.00 0.00 H new ATOM 0 HA LYS A 102 5.388 -2.239 -13.453 1.00 0.00 H new ATOM 0 HB2 LYS A 102 3.410 -2.675 -11.181 1.00 0.00 H new ATOM 0 HB3 LYS A 102 3.060 -2.407 -12.877 1.00 0.00 H new ATOM 0 HG2 LYS A 102 4.466 -4.869 -11.716 1.00 0.00 H new ATOM 0 HG3 LYS A 102 2.814 -4.820 -12.299 1.00 0.00 H new ATOM 0 HD2 LYS A 102 3.833 -3.967 -14.562 1.00 0.00 H new ATOM 0 HD3 LYS A 102 5.377 -4.497 -13.925 1.00 0.00 H new ATOM 0 HE2 LYS A 102 4.182 -6.776 -13.429 1.00 0.00 H new ATOM 0 HE3 LYS A 102 2.905 -6.194 -14.479 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 4.549 -7.467 -15.721 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 4.549 -5.851 -16.243 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 5.787 -6.415 -15.226 1.00 0.00 H new ATOM 651 N PRO A 103 5.789 0.085 -12.443 1.00 0.00 N ATOM 652 CA PRO A 103 5.872 1.481 -11.914 1.00 0.00 C ATOM 653 C PRO A 103 4.511 2.018 -11.447 1.00 0.00 C ATOM 654 O PRO A 103 3.471 1.609 -11.924 1.00 0.00 O ATOM 655 CB PRO A 103 6.397 2.298 -13.107 1.00 0.00 C ATOM 656 CG PRO A 103 7.135 1.317 -13.961 1.00 0.00 C ATOM 657 CD PRO A 103 6.449 -0.036 -13.759 1.00 0.00 C ATOM 0 HA PRO A 103 6.512 1.537 -11.034 1.00 0.00 H new ATOM 0 HB2 PRO A 103 5.578 2.761 -13.658 1.00 0.00 H new ATOM 0 HB3 PRO A 103 7.053 3.102 -12.775 1.00 0.00 H new ATOM 0 HG2 PRO A 103 7.105 1.615 -15.009 1.00 0.00 H new ATOM 0 HG3 PRO A 103 8.185 1.266 -13.674 1.00 0.00 H new ATOM 0 HD2 PRO A 103 5.727 -0.238 -14.550 1.00 0.00 H new ATOM 0 HD3 PRO A 103 7.170 -0.853 -13.769 1.00 0.00 H new ATOM 665 N ILE A 104 4.517 2.926 -10.507 1.00 0.00 N ATOM 666 CA ILE A 104 3.236 3.486 -9.997 1.00 0.00 C ATOM 667 C ILE A 104 2.399 3.997 -11.171 1.00 0.00 C ATOM 668 O ILE A 104 1.184 3.956 -11.147 1.00 0.00 O ATOM 669 CB ILE A 104 3.532 4.639 -9.036 1.00 0.00 C ATOM 670 CG1 ILE A 104 2.213 5.244 -8.551 1.00 0.00 C ATOM 671 CG2 ILE A 104 4.354 5.711 -9.756 1.00 0.00 C ATOM 672 CD1 ILE A 104 2.477 6.130 -7.334 1.00 0.00 C ATOM 0 H ILE A 104 5.358 3.304 -10.071 1.00 0.00 H new ATOM 0 HA ILE A 104 2.682 2.709 -9.470 1.00 0.00 H new ATOM 0 HB ILE A 104 4.098 4.266 -8.183 1.00 0.00 H new ATOM 0 HG12 ILE A 104 1.754 5.829 -9.348 1.00 0.00 H new ATOM 0 HG13 ILE A 104 1.510 4.452 -8.292 1.00 0.00 H new ATOM 0 HG21 ILE A 104 4.563 6.531 -9.069 1.00 0.00 H new ATOM 0 HG22 ILE A 104 5.293 5.278 -10.102 1.00 0.00 H new ATOM 0 HG23 ILE A 104 3.792 6.088 -10.610 1.00 0.00 H new ATOM 0 HD11 ILE A 104 1.538 6.562 -6.988 1.00 0.00 H new ATOM 0 HD12 ILE A 104 2.917 5.531 -6.537 1.00 0.00 H new ATOM 0 HD13 ILE A 104 3.165 6.930 -7.609 1.00 0.00 H new ATOM 684 N GLN A 105 3.041 4.482 -12.195 1.00 0.00 N ATOM 685 CA GLN A 105 2.295 5.003 -13.373 1.00 0.00 C ATOM 686 C GLN A 105 1.534 3.863 -14.059 1.00 0.00 C ATOM 687 O GLN A 105 0.596 4.091 -14.797 1.00 0.00 O ATOM 688 CB GLN A 105 3.287 5.622 -14.357 1.00 0.00 C ATOM 689 CG GLN A 105 3.875 6.899 -13.750 1.00 0.00 C ATOM 690 CD GLN A 105 4.948 7.465 -14.681 1.00 0.00 C ATOM 691 OE1 GLN A 105 5.664 6.723 -15.322 1.00 0.00 O ATOM 692 NE2 GLN A 105 5.093 8.758 -14.780 1.00 0.00 N ATOM 0 H GLN A 105 4.057 4.540 -12.267 1.00 0.00 H new ATOM 0 HA GLN A 105 1.579 5.757 -13.045 1.00 0.00 H new ATOM 0 HB2 GLN A 105 4.084 4.913 -14.582 1.00 0.00 H new ATOM 0 HB3 GLN A 105 2.788 5.850 -15.299 1.00 0.00 H new ATOM 0 HG2 GLN A 105 3.087 7.636 -13.596 1.00 0.00 H new ATOM 0 HG3 GLN A 105 4.305 6.684 -12.772 1.00 0.00 H new ATOM 0 HE21 GLN A 105 4.491 9.381 -14.242 1.00 0.00 H new ATOM 0 HE22 GLN A 105 5.808 9.145 -15.396 1.00 0.00 H new ATOM 701 N THR A 106 1.927 2.637 -13.827 1.00 0.00 N ATOM 702 CA THR A 106 1.222 1.489 -14.472 1.00 0.00 C ATOM 703 C THR A 106 0.087 1.015 -13.562 1.00 0.00 C ATOM 704 O THR A 106 -0.522 -0.008 -13.798 1.00 0.00 O ATOM 705 CB THR A 106 2.212 0.340 -14.701 1.00 0.00 C ATOM 706 OG1 THR A 106 2.730 -0.096 -13.452 1.00 0.00 O ATOM 707 CG2 THR A 106 3.365 0.819 -15.592 1.00 0.00 C ATOM 0 H THR A 106 2.705 2.381 -13.219 1.00 0.00 H new ATOM 0 HA THR A 106 0.812 1.806 -15.431 1.00 0.00 H new ATOM 0 HB THR A 106 1.696 -0.486 -15.191 1.00 0.00 H new ATOM 0 HG1 THR A 106 3.317 0.596 -13.082 1.00 0.00 H new ATOM 0 HG21 THR A 106 4.066 -0.000 -15.752 1.00 0.00 H new ATOM 0 HG22 THR A 106 2.969 1.151 -16.552 1.00 0.00 H new ATOM 0 HG23 THR A 106 3.880 1.647 -15.106 1.00 0.00 H new ATOM 715 N ILE A 107 -0.203 1.747 -12.519 1.00 0.00 N ATOM 716 CA ILE A 107 -1.297 1.324 -11.601 1.00 0.00 C ATOM 717 C ILE A 107 -2.649 1.643 -12.231 1.00 0.00 C ATOM 718 O ILE A 107 -2.901 2.753 -12.659 1.00 0.00 O ATOM 719 CB ILE A 107 -1.174 2.070 -10.267 1.00 0.00 C ATOM 720 CG1 ILE A 107 0.143 1.674 -9.563 1.00 0.00 C ATOM 721 CG2 ILE A 107 -2.381 1.741 -9.375 1.00 0.00 C ATOM 722 CD1 ILE A 107 -0.028 0.385 -8.745 1.00 0.00 C ATOM 0 H ILE A 107 0.269 2.615 -12.265 1.00 0.00 H new ATOM 0 HA ILE A 107 -1.218 0.251 -11.426 1.00 0.00 H new ATOM 0 HB ILE A 107 -1.159 3.144 -10.454 1.00 0.00 H new ATOM 0 HG12 ILE A 107 0.928 1.534 -10.307 1.00 0.00 H new ATOM 0 HG13 ILE A 107 0.465 2.483 -8.908 1.00 0.00 H new ATOM 0 HG21 ILE A 107 -2.289 2.273 -8.428 1.00 0.00 H new ATOM 0 HG22 ILE A 107 -3.299 2.048 -9.877 1.00 0.00 H new ATOM 0 HG23 ILE A 107 -2.412 0.668 -9.186 1.00 0.00 H new ATOM 0 HD11 ILE A 107 0.916 0.133 -8.262 1.00 0.00 H new ATOM 0 HD12 ILE A 107 -0.796 0.535 -7.986 1.00 0.00 H new ATOM 0 HD13 ILE A 107 -0.326 -0.429 -9.406 1.00 0.00 H new ATOM 734 N LYS A 108 -3.519 0.668 -12.283 1.00 0.00 N ATOM 735 CA LYS A 108 -4.873 0.873 -12.877 1.00 0.00 C ATOM 736 C LYS A 108 -5.940 0.728 -11.791 1.00 0.00 C ATOM 737 O LYS A 108 -5.696 0.188 -10.729 1.00 0.00 O ATOM 738 CB LYS A 108 -5.106 -0.172 -13.966 1.00 0.00 C ATOM 739 CG LYS A 108 -4.147 0.092 -15.128 1.00 0.00 C ATOM 740 CD LYS A 108 -4.525 -0.787 -16.324 1.00 0.00 C ATOM 741 CE LYS A 108 -4.400 -2.269 -15.956 1.00 0.00 C ATOM 742 NZ LYS A 108 -3.162 -2.488 -15.158 1.00 0.00 N ATOM 0 H LYS A 108 -3.346 -0.275 -11.934 1.00 0.00 H new ATOM 0 HA LYS A 108 -4.935 1.872 -13.308 1.00 0.00 H new ATOM 0 HB2 LYS A 108 -4.946 -1.173 -13.566 1.00 0.00 H new ATOM 0 HB3 LYS A 108 -6.138 -0.129 -14.313 1.00 0.00 H new ATOM 0 HG2 LYS A 108 -4.186 1.144 -15.412 1.00 0.00 H new ATOM 0 HG3 LYS A 108 -3.122 -0.118 -14.821 1.00 0.00 H new ATOM 0 HD2 LYS A 108 -5.546 -0.568 -16.637 1.00 0.00 H new ATOM 0 HD3 LYS A 108 -3.877 -0.560 -17.170 1.00 0.00 H new ATOM 0 HE2 LYS A 108 -5.273 -2.586 -15.385 1.00 0.00 H new ATOM 0 HE3 LYS A 108 -4.373 -2.877 -16.860 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 -2.869 -3.483 -15.238 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 -2.404 -1.873 -15.517 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 -3.348 -2.261 -14.160 1.00 0.00 H new ATOM 756 N LYS A 109 -7.118 1.213 -12.055 1.00 0.00 N ATOM 757 CA LYS A 109 -8.218 1.121 -11.058 1.00 0.00 C ATOM 758 C LYS A 109 -8.521 -0.353 -10.779 1.00 0.00 C ATOM 759 O LYS A 109 -8.772 -0.747 -9.658 1.00 0.00 O ATOM 760 CB LYS A 109 -9.459 1.805 -11.631 1.00 0.00 C ATOM 761 CG LYS A 109 -9.308 3.331 -11.545 1.00 0.00 C ATOM 762 CD LYS A 109 -8.180 3.803 -12.470 1.00 0.00 C ATOM 763 CE LYS A 109 -8.277 5.317 -12.661 1.00 0.00 C ATOM 764 NZ LYS A 109 -7.125 5.787 -13.483 1.00 0.00 N ATOM 0 H LYS A 109 -7.369 1.675 -12.929 1.00 0.00 H new ATOM 0 HA LYS A 109 -7.927 1.610 -10.128 1.00 0.00 H new ATOM 0 HB2 LYS A 109 -9.603 1.504 -12.669 1.00 0.00 H new ATOM 0 HB3 LYS A 109 -10.345 1.488 -11.081 1.00 0.00 H new ATOM 0 HG2 LYS A 109 -10.244 3.813 -11.826 1.00 0.00 H new ATOM 0 HG3 LYS A 109 -9.093 3.625 -10.518 1.00 0.00 H new ATOM 0 HD2 LYS A 109 -7.212 3.541 -12.043 1.00 0.00 H new ATOM 0 HD3 LYS A 109 -8.251 3.299 -13.434 1.00 0.00 H new ATOM 0 HE2 LYS A 109 -9.216 5.573 -13.151 1.00 0.00 H new ATOM 0 HE3 LYS A 109 -8.275 5.818 -11.693 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 -7.189 6.817 -13.614 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 -6.235 5.555 -12.998 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 -7.146 5.318 -14.411 1.00 0.00 H new ATOM 778 N HIS A 110 -8.499 -1.169 -11.795 1.00 0.00 N ATOM 779 CA HIS A 110 -8.779 -2.615 -11.596 1.00 0.00 C ATOM 780 C HIS A 110 -7.668 -3.230 -10.739 1.00 0.00 C ATOM 781 O HIS A 110 -7.919 -4.023 -9.854 1.00 0.00 O ATOM 782 CB HIS A 110 -8.814 -3.308 -12.956 1.00 0.00 C ATOM 783 CG HIS A 110 -9.201 -4.748 -12.774 1.00 0.00 C ATOM 784 ND1 HIS A 110 -8.379 -5.654 -12.126 1.00 0.00 N ATOM 785 CD2 HIS A 110 -10.316 -5.452 -13.151 1.00 0.00 C ATOM 786 CE1 HIS A 110 -9.007 -6.845 -12.132 1.00 0.00 C ATOM 787 NE2 HIS A 110 -10.193 -6.777 -12.745 1.00 0.00 N ATOM 0 H HIS A 110 -8.298 -0.895 -12.757 1.00 0.00 H new ATOM 0 HA HIS A 110 -9.739 -2.742 -11.095 1.00 0.00 H new ATOM 0 HB2 HIS A 110 -9.527 -2.809 -13.612 1.00 0.00 H new ATOM 0 HB3 HIS A 110 -7.838 -3.240 -13.436 1.00 0.00 H new ATOM 0 HD2 HIS A 110 -11.161 -5.040 -13.682 1.00 0.00 H new ATOM 0 HE1 HIS A 110 -8.602 -7.746 -11.695 1.00 0.00 H new ATOM 0 HE2 HIS A 110 -10.863 -7.533 -12.885 1.00 0.00 H new ATOM 795 N ASP A 111 -6.441 -2.867 -11.000 1.00 0.00 N ATOM 796 CA ASP A 111 -5.308 -3.422 -10.209 1.00 0.00 C ATOM 797 C ASP A 111 -5.452 -3.001 -8.745 1.00 0.00 C ATOM 798 O ASP A 111 -5.254 -3.788 -7.840 1.00 0.00 O ATOM 799 CB ASP A 111 -3.994 -2.869 -10.760 1.00 0.00 C ATOM 800 CG ASP A 111 -3.688 -3.509 -12.116 1.00 0.00 C ATOM 801 OD1 ASP A 111 -4.318 -4.503 -12.438 1.00 0.00 O ATOM 802 OD2 ASP A 111 -2.826 -2.994 -12.807 1.00 0.00 O ATOM 0 H ASP A 111 -6.175 -2.207 -11.731 1.00 0.00 H new ATOM 0 HA ASP A 111 -5.313 -4.510 -10.279 1.00 0.00 H new ATOM 0 HB2 ASP A 111 -4.061 -1.786 -10.866 1.00 0.00 H new ATOM 0 HB3 ASP A 111 -3.182 -3.071 -10.061 1.00 0.00 H new ATOM 807 N TYR A 112 -5.786 -1.762 -8.509 1.00 0.00 N ATOM 808 CA TYR A 112 -5.937 -1.280 -7.108 1.00 0.00 C ATOM 809 C TYR A 112 -7.078 -2.041 -6.430 1.00 0.00 C ATOM 810 O TYR A 112 -6.965 -2.472 -5.299 1.00 0.00 O ATOM 811 CB TYR A 112 -6.249 0.215 -7.123 1.00 0.00 C ATOM 812 CG TYR A 112 -6.397 0.711 -5.705 1.00 0.00 C ATOM 813 CD1 TYR A 112 -5.267 0.812 -4.885 1.00 0.00 C ATOM 814 CD2 TYR A 112 -7.656 1.073 -5.209 1.00 0.00 C ATOM 815 CE1 TYR A 112 -5.394 1.276 -3.571 1.00 0.00 C ATOM 816 CE2 TYR A 112 -7.782 1.536 -3.893 1.00 0.00 C ATOM 817 CZ TYR A 112 -6.651 1.637 -3.076 1.00 0.00 C ATOM 818 OH TYR A 112 -6.773 2.093 -1.780 1.00 0.00 O ATOM 0 H TYR A 112 -5.961 -1.061 -9.229 1.00 0.00 H new ATOM 0 HA TYR A 112 -5.013 -1.452 -6.556 1.00 0.00 H new ATOM 0 HB2 TYR A 112 -5.451 0.759 -7.629 1.00 0.00 H new ATOM 0 HB3 TYR A 112 -7.166 0.401 -7.682 1.00 0.00 H new ATOM 0 HD1 TYR A 112 -4.296 0.532 -5.267 1.00 0.00 H new ATOM 0 HD2 TYR A 112 -8.529 0.995 -5.841 1.00 0.00 H new ATOM 0 HE1 TYR A 112 -4.522 1.355 -2.939 1.00 0.00 H new ATOM 0 HE2 TYR A 112 -8.752 1.815 -3.509 1.00 0.00 H new ATOM 0 HH TYR A 112 -6.177 2.859 -1.645 1.00 0.00 H new ATOM 828 N GLN A 113 -8.176 -2.207 -7.115 1.00 0.00 N ATOM 829 CA GLN A 113 -9.329 -2.939 -6.518 1.00 0.00 C ATOM 830 C GLN A 113 -8.929 -4.399 -6.292 1.00 0.00 C ATOM 831 O GLN A 113 -9.308 -5.013 -5.313 1.00 0.00 O ATOM 832 CB GLN A 113 -10.518 -2.873 -7.482 1.00 0.00 C ATOM 833 CG GLN A 113 -11.751 -3.517 -6.844 1.00 0.00 C ATOM 834 CD GLN A 113 -12.188 -2.697 -5.629 1.00 0.00 C ATOM 835 OE1 GLN A 113 -12.156 -1.483 -5.659 1.00 0.00 O ATOM 836 NE2 GLN A 113 -12.594 -3.312 -4.552 1.00 0.00 N ATOM 0 H GLN A 113 -8.325 -1.866 -8.065 1.00 0.00 H new ATOM 0 HA GLN A 113 -9.608 -2.486 -5.567 1.00 0.00 H new ATOM 0 HB2 GLN A 113 -10.732 -1.835 -7.737 1.00 0.00 H new ATOM 0 HB3 GLN A 113 -10.271 -3.385 -8.412 1.00 0.00 H new ATOM 0 HG2 GLN A 113 -12.562 -3.571 -7.570 1.00 0.00 H new ATOM 0 HG3 GLN A 113 -11.525 -4.540 -6.543 1.00 0.00 H new ATOM 0 HE21 GLN A 113 -12.621 -4.331 -4.526 1.00 0.00 H new ATOM 0 HE22 GLN A 113 -12.884 -2.773 -3.736 1.00 0.00 H new ATOM 845 N ARG A 114 -8.167 -4.958 -7.192 1.00 0.00 N ATOM 846 CA ARG A 114 -7.737 -6.378 -7.041 1.00 0.00 C ATOM 847 C ARG A 114 -6.921 -6.525 -5.756 1.00 0.00 C ATOM 848 O ARG A 114 -7.085 -7.468 -5.007 1.00 0.00 O ATOM 849 CB ARG A 114 -6.870 -6.771 -8.242 1.00 0.00 C ATOM 850 CG ARG A 114 -6.491 -8.254 -8.151 1.00 0.00 C ATOM 851 CD ARG A 114 -5.585 -8.629 -9.327 1.00 0.00 C ATOM 852 NE ARG A 114 -6.361 -8.560 -10.597 1.00 0.00 N ATOM 853 CZ ARG A 114 -5.770 -8.777 -11.743 1.00 0.00 C ATOM 854 NH1 ARG A 114 -4.494 -9.050 -11.782 1.00 0.00 N ATOM 855 NH2 ARG A 114 -6.457 -8.723 -12.851 1.00 0.00 N ATOM 0 H ARG A 114 -7.822 -4.490 -8.030 1.00 0.00 H new ATOM 0 HA ARG A 114 -8.613 -7.025 -6.993 1.00 0.00 H new ATOM 0 HB2 ARG A 114 -7.411 -6.581 -9.169 1.00 0.00 H new ATOM 0 HB3 ARG A 114 -5.969 -6.158 -8.267 1.00 0.00 H new ATOM 0 HG2 ARG A 114 -5.980 -8.451 -7.209 1.00 0.00 H new ATOM 0 HG3 ARG A 114 -7.390 -8.870 -8.161 1.00 0.00 H new ATOM 0 HD2 ARG A 114 -4.732 -7.952 -9.373 1.00 0.00 H new ATOM 0 HD3 ARG A 114 -5.187 -9.634 -9.186 1.00 0.00 H new ATOM 0 HE ARG A 114 -7.357 -8.343 -10.572 1.00 0.00 H new ATOM 0 HH11 ARG A 114 -3.955 -9.095 -10.917 1.00 0.00 H new ATOM 0 HH12 ARG A 114 -4.036 -9.219 -12.677 1.00 0.00 H new ATOM 0 HH21 ARG A 114 -7.454 -8.512 -12.823 1.00 0.00 H new ATOM 0 HH22 ARG A 114 -5.997 -8.892 -13.745 1.00 0.00 H new ATOM 869 N PHE A 115 -6.041 -5.598 -5.499 1.00 0.00 N ATOM 870 CA PHE A 115 -5.207 -5.675 -4.269 1.00 0.00 C ATOM 871 C PHE A 115 -6.106 -5.649 -3.033 1.00 0.00 C ATOM 872 O PHE A 115 -5.900 -6.391 -2.096 1.00 0.00 O ATOM 873 CB PHE A 115 -4.249 -4.487 -4.228 1.00 0.00 C ATOM 874 CG PHE A 115 -3.409 -4.569 -2.974 1.00 0.00 C ATOM 875 CD1 PHE A 115 -2.422 -5.556 -2.858 1.00 0.00 C ATOM 876 CD2 PHE A 115 -3.615 -3.660 -1.928 1.00 0.00 C ATOM 877 CE1 PHE A 115 -1.642 -5.634 -1.698 1.00 0.00 C ATOM 878 CE2 PHE A 115 -2.834 -3.739 -0.768 1.00 0.00 C ATOM 879 CZ PHE A 115 -1.848 -4.725 -0.653 1.00 0.00 C ATOM 0 H PHE A 115 -5.863 -4.787 -6.091 1.00 0.00 H new ATOM 0 HA PHE A 115 -4.636 -6.603 -4.279 1.00 0.00 H new ATOM 0 HB2 PHE A 115 -3.609 -4.490 -5.110 1.00 0.00 H new ATOM 0 HB3 PHE A 115 -4.809 -3.552 -4.244 1.00 0.00 H new ATOM 0 HD1 PHE A 115 -2.263 -6.257 -3.664 1.00 0.00 H new ATOM 0 HD2 PHE A 115 -4.376 -2.899 -2.016 1.00 0.00 H new ATOM 0 HE1 PHE A 115 -0.881 -6.395 -1.609 1.00 0.00 H new ATOM 0 HE2 PHE A 115 -2.993 -3.038 0.038 1.00 0.00 H new ATOM 0 HZ PHE A 115 -1.246 -4.785 0.242 1.00 0.00 H new ATOM 889 N VAL A 116 -7.092 -4.794 -3.020 1.00 0.00 N ATOM 890 CA VAL A 116 -7.996 -4.708 -1.838 1.00 0.00 C ATOM 891 C VAL A 116 -8.674 -6.064 -1.614 1.00 0.00 C ATOM 892 O VAL A 116 -8.738 -6.561 -0.507 1.00 0.00 O ATOM 893 CB VAL A 116 -9.065 -3.648 -2.102 1.00 0.00 C ATOM 894 CG1 VAL A 116 -10.077 -3.641 -0.955 1.00 0.00 C ATOM 895 CG2 VAL A 116 -8.404 -2.272 -2.213 1.00 0.00 C ATOM 0 H VAL A 116 -7.311 -4.149 -3.780 1.00 0.00 H new ATOM 0 HA VAL A 116 -7.418 -4.439 -0.954 1.00 0.00 H new ATOM 0 HB VAL A 116 -9.580 -3.878 -3.034 1.00 0.00 H new ATOM 0 HG11 VAL A 116 -10.838 -2.884 -1.146 1.00 0.00 H new ATOM 0 HG12 VAL A 116 -10.550 -4.620 -0.881 1.00 0.00 H new ATOM 0 HG13 VAL A 116 -9.565 -3.413 -0.020 1.00 0.00 H new ATOM 0 HG21 VAL A 116 -9.166 -1.516 -2.401 1.00 0.00 H new ATOM 0 HG22 VAL A 116 -7.886 -2.041 -1.282 1.00 0.00 H new ATOM 0 HG23 VAL A 116 -7.688 -2.278 -3.035 1.00 0.00 H new ATOM 905 N ASP A 117 -9.177 -6.663 -2.657 1.00 0.00 N ATOM 906 CA ASP A 117 -9.847 -7.986 -2.519 1.00 0.00 C ATOM 907 C ASP A 117 -8.828 -9.039 -2.072 1.00 0.00 C ATOM 908 O ASP A 117 -9.137 -9.936 -1.314 1.00 0.00 O ATOM 909 CB ASP A 117 -10.433 -8.396 -3.870 1.00 0.00 C ATOM 910 CG ASP A 117 -11.667 -7.545 -4.178 1.00 0.00 C ATOM 911 OD1 ASP A 117 -12.176 -6.917 -3.263 1.00 0.00 O ATOM 912 OD2 ASP A 117 -12.082 -7.536 -5.324 1.00 0.00 O ATOM 0 H ASP A 117 -9.152 -6.290 -3.606 1.00 0.00 H new ATOM 0 HA ASP A 117 -10.641 -7.913 -1.776 1.00 0.00 H new ATOM 0 HB2 ASP A 117 -9.687 -8.269 -4.654 1.00 0.00 H new ATOM 0 HB3 ASP A 117 -10.702 -9.452 -3.855 1.00 0.00 H new ATOM 917 N ASP A 118 -7.619 -8.944 -2.558 1.00 0.00 N ATOM 918 CA ASP A 118 -6.575 -9.942 -2.188 1.00 0.00 C ATOM 919 C ASP A 118 -6.320 -9.909 -0.677 1.00 0.00 C ATOM 920 O ASP A 118 -6.221 -10.936 -0.035 1.00 0.00 O ATOM 921 CB ASP A 118 -5.280 -9.598 -2.923 1.00 0.00 C ATOM 922 CG ASP A 118 -5.430 -9.919 -4.411 1.00 0.00 C ATOM 923 OD1 ASP A 118 -6.376 -10.606 -4.759 1.00 0.00 O ATOM 924 OD2 ASP A 118 -4.594 -9.472 -5.178 1.00 0.00 O ATOM 0 H ASP A 118 -7.309 -8.214 -3.199 1.00 0.00 H new ATOM 0 HA ASP A 118 -6.916 -10.939 -2.467 1.00 0.00 H new ATOM 0 HB2 ASP A 118 -5.045 -8.542 -2.791 1.00 0.00 H new ATOM 0 HB3 ASP A 118 -4.450 -10.164 -2.501 1.00 0.00 H new ATOM 929 N ILE A 119 -6.205 -8.741 -0.106 1.00 0.00 N ATOM 930 CA ILE A 119 -5.952 -8.650 1.360 1.00 0.00 C ATOM 931 C ILE A 119 -7.249 -8.928 2.124 1.00 0.00 C ATOM 932 O ILE A 119 -7.233 -9.308 3.277 1.00 0.00 O ATOM 933 CB ILE A 119 -5.427 -7.251 1.696 1.00 0.00 C ATOM 934 CG1 ILE A 119 -6.432 -6.199 1.224 1.00 0.00 C ATOM 935 CG2 ILE A 119 -4.092 -7.026 0.981 1.00 0.00 C ATOM 936 CD1 ILE A 119 -5.987 -4.812 1.692 1.00 0.00 C ATOM 0 H ILE A 119 -6.275 -7.846 -0.591 1.00 0.00 H new ATOM 0 HA ILE A 119 -5.208 -9.391 1.653 1.00 0.00 H new ATOM 0 HB ILE A 119 -5.288 -7.166 2.774 1.00 0.00 H new ATOM 0 HG12 ILE A 119 -6.510 -6.219 0.137 1.00 0.00 H new ATOM 0 HG13 ILE A 119 -7.422 -6.426 1.619 1.00 0.00 H new ATOM 0 HG21 ILE A 119 -3.715 -6.031 1.218 1.00 0.00 H new ATOM 0 HG22 ILE A 119 -3.372 -7.775 1.311 1.00 0.00 H new ATOM 0 HG23 ILE A 119 -4.237 -7.112 -0.096 1.00 0.00 H new ATOM 0 HD11 ILE A 119 -6.706 -4.066 1.353 1.00 0.00 H new ATOM 0 HD12 ILE A 119 -5.932 -4.796 2.780 1.00 0.00 H new ATOM 0 HD13 ILE A 119 -5.005 -4.585 1.276 1.00 0.00 H new ATOM 948 N SER A 120 -8.370 -8.739 1.487 1.00 0.00 N ATOM 949 CA SER A 120 -9.671 -8.988 2.165 1.00 0.00 C ATOM 950 C SER A 120 -9.771 -10.462 2.562 1.00 0.00 C ATOM 951 O SER A 120 -10.230 -10.798 3.635 1.00 0.00 O ATOM 952 CB SER A 120 -10.809 -8.637 1.208 1.00 0.00 C ATOM 953 OG SER A 120 -12.054 -8.836 1.864 1.00 0.00 O ATOM 0 H SER A 120 -8.441 -8.421 0.520 1.00 0.00 H new ATOM 0 HA SER A 120 -9.741 -8.371 3.061 1.00 0.00 H new ATOM 0 HB2 SER A 120 -10.718 -7.601 0.882 1.00 0.00 H new ATOM 0 HB3 SER A 120 -10.753 -9.259 0.314 1.00 0.00 H new ATOM 0 HG SER A 120 -12.786 -8.610 1.253 1.00 0.00 H new ATOM 959 N ALA A 121 -9.355 -11.345 1.695 1.00 0.00 N ATOM 960 CA ALA A 121 -9.434 -12.798 2.009 1.00 0.00 C ATOM 961 C ALA A 121 -8.308 -13.187 2.969 1.00 0.00 C ATOM 962 O ALA A 121 -8.291 -14.278 3.504 1.00 0.00 O ATOM 963 CB ALA A 121 -9.295 -13.596 0.714 1.00 0.00 C ATOM 0 H ALA A 121 -8.963 -11.121 0.780 1.00 0.00 H new ATOM 0 HA ALA A 121 -10.393 -13.015 2.479 1.00 0.00 H new ATOM 0 HB1 ALA A 121 -9.352 -14.662 0.935 1.00 0.00 H new ATOM 0 HB2 ALA A 121 -10.100 -13.324 0.031 1.00 0.00 H new ATOM 0 HB3 ALA A 121 -8.334 -13.373 0.250 1.00 0.00 H new ATOM 969 N GLN A 122 -7.367 -12.300 3.189 1.00 0.00 N ATOM 970 CA GLN A 122 -6.229 -12.598 4.114 1.00 0.00 C ATOM 971 C GLN A 122 -6.344 -11.713 5.356 1.00 0.00 C ATOM 972 O GLN A 122 -5.726 -11.971 6.368 1.00 0.00 O ATOM 973 CB GLN A 122 -4.909 -12.311 3.395 1.00 0.00 C ATOM 974 CG GLN A 122 -4.712 -13.335 2.273 1.00 0.00 C ATOM 975 CD GLN A 122 -3.433 -13.014 1.498 1.00 0.00 C ATOM 976 OE1 GLN A 122 -3.324 -11.970 0.890 1.00 0.00 O ATOM 977 NE2 GLN A 122 -2.454 -13.878 1.493 1.00 0.00 N ATOM 0 H GLN A 122 -7.339 -11.374 2.763 1.00 0.00 H new ATOM 0 HA GLN A 122 -6.258 -13.646 4.413 1.00 0.00 H new ATOM 0 HB2 GLN A 122 -4.917 -11.301 2.984 1.00 0.00 H new ATOM 0 HB3 GLN A 122 -4.079 -12.362 4.100 1.00 0.00 H new ATOM 0 HG2 GLN A 122 -4.652 -14.340 2.691 1.00 0.00 H new ATOM 0 HG3 GLN A 122 -5.569 -13.320 1.600 1.00 0.00 H new ATOM 0 HE21 GLN A 122 -2.546 -14.756 2.004 1.00 0.00 H new ATOM 0 HE22 GLN A 122 -1.597 -13.675 0.978 1.00 0.00 H new ATOM 986 N TYR A 123 -7.135 -10.669 5.282 1.00 0.00 N ATOM 987 CA TYR A 123 -7.304 -9.753 6.454 1.00 0.00 C ATOM 988 C TYR A 123 -8.782 -9.399 6.636 1.00 0.00 C ATOM 989 O TYR A 123 -9.569 -9.468 5.712 1.00 0.00 O ATOM 990 CB TYR A 123 -6.498 -8.475 6.225 1.00 0.00 C ATOM 991 CG TYR A 123 -5.026 -8.798 6.270 1.00 0.00 C ATOM 992 CD1 TYR A 123 -4.361 -9.206 5.108 1.00 0.00 C ATOM 993 CD2 TYR A 123 -4.324 -8.683 7.477 1.00 0.00 C ATOM 994 CE1 TYR A 123 -2.994 -9.503 5.154 1.00 0.00 C ATOM 995 CE2 TYR A 123 -2.957 -8.977 7.521 1.00 0.00 C ATOM 996 CZ TYR A 123 -2.291 -9.386 6.360 1.00 0.00 C ATOM 997 OH TYR A 123 -0.943 -9.676 6.405 1.00 0.00 O ATOM 0 H TYR A 123 -7.674 -10.411 4.455 1.00 0.00 H new ATOM 0 HA TYR A 123 -6.945 -10.256 7.352 1.00 0.00 H new ATOM 0 HB2 TYR A 123 -6.756 -8.037 5.261 1.00 0.00 H new ATOM 0 HB3 TYR A 123 -6.743 -7.736 6.987 1.00 0.00 H new ATOM 0 HD1 TYR A 123 -4.902 -9.292 4.177 1.00 0.00 H new ATOM 0 HD2 TYR A 123 -4.838 -8.368 8.373 1.00 0.00 H new ATOM 0 HE1 TYR A 123 -2.481 -9.823 4.259 1.00 0.00 H new ATOM 0 HE2 TYR A 123 -2.415 -8.888 8.451 1.00 0.00 H new ATOM 0 HH TYR A 123 -0.560 -9.323 7.235 1.00 0.00 H new ATOM 1007 N SER A 124 -9.161 -9.030 7.829 1.00 0.00 N ATOM 1008 CA SER A 124 -10.583 -8.682 8.096 1.00 0.00 C ATOM 1009 C SER A 124 -10.909 -7.300 7.515 1.00 0.00 C ATOM 1010 O SER A 124 -10.036 -6.553 7.126 1.00 0.00 O ATOM 1011 CB SER A 124 -10.825 -8.673 9.607 1.00 0.00 C ATOM 1012 OG SER A 124 -10.436 -7.415 10.145 1.00 0.00 O ATOM 0 H SER A 124 -8.541 -8.955 8.635 1.00 0.00 H new ATOM 0 HA SER A 124 -11.227 -9.423 7.623 1.00 0.00 H new ATOM 0 HB2 SER A 124 -11.878 -8.860 9.818 1.00 0.00 H new ATOM 0 HB3 SER A 124 -10.258 -9.474 10.081 1.00 0.00 H new ATOM 0 HG SER A 124 -10.593 -7.410 11.112 1.00 0.00 H new ATOM 1018 N LYS A 125 -12.169 -6.963 7.459 1.00 0.00 N ATOM 1019 CA LYS A 125 -12.582 -5.643 6.909 1.00 0.00 C ATOM 1020 C LYS A 125 -11.975 -4.523 7.760 1.00 0.00 C ATOM 1021 O LYS A 125 -11.576 -3.493 7.252 1.00 0.00 O ATOM 1022 CB LYS A 125 -14.107 -5.547 6.954 1.00 0.00 C ATOM 1023 CG LYS A 125 -14.732 -6.686 6.134 1.00 0.00 C ATOM 1024 CD LYS A 125 -14.393 -6.526 4.644 1.00 0.00 C ATOM 1025 CE LYS A 125 -15.385 -7.330 3.794 1.00 0.00 C ATOM 1026 NZ LYS A 125 -16.640 -6.547 3.630 1.00 0.00 N ATOM 0 H LYS A 125 -12.938 -7.554 7.775 1.00 0.00 H new ATOM 0 HA LYS A 125 -12.233 -5.543 5.881 1.00 0.00 H new ATOM 0 HB2 LYS A 125 -14.452 -5.600 7.987 1.00 0.00 H new ATOM 0 HB3 LYS A 125 -14.430 -4.584 6.559 1.00 0.00 H new ATOM 0 HG2 LYS A 125 -14.364 -7.646 6.495 1.00 0.00 H new ATOM 0 HG3 LYS A 125 -15.814 -6.688 6.269 1.00 0.00 H new ATOM 0 HD2 LYS A 125 -14.431 -5.473 4.364 1.00 0.00 H new ATOM 0 HD3 LYS A 125 -13.376 -6.870 4.454 1.00 0.00 H new ATOM 0 HE2 LYS A 125 -14.951 -7.551 2.819 1.00 0.00 H new ATOM 0 HE3 LYS A 125 -15.599 -8.286 4.271 1.00 0.00 H new ATOM 0 HZ1 LYS A 125 -17.441 -7.198 3.498 1.00 0.00 H new ATOM 0 HZ2 LYS A 125 -16.801 -5.967 4.478 1.00 0.00 H new ATOM 0 HZ3 LYS A 125 -16.557 -5.928 2.798 1.00 0.00 H new ATOM 1040 N ASN A 126 -11.909 -4.709 9.049 1.00 0.00 N ATOM 1041 CA ASN A 126 -11.334 -3.649 9.923 1.00 0.00 C ATOM 1042 C ASN A 126 -9.872 -3.402 9.529 1.00 0.00 C ATOM 1043 O ASN A 126 -9.427 -2.275 9.428 1.00 0.00 O ATOM 1044 CB ASN A 126 -11.386 -4.126 11.372 1.00 0.00 C ATOM 1045 CG ASN A 126 -12.834 -4.138 11.862 1.00 0.00 C ATOM 1046 OD1 ASN A 126 -13.691 -3.496 11.289 1.00 0.00 O ATOM 1047 ND2 ASN A 126 -13.145 -4.853 12.909 1.00 0.00 N ATOM 0 H ASN A 126 -12.228 -5.548 9.534 1.00 0.00 H new ATOM 0 HA ASN A 126 -11.903 -2.726 9.810 1.00 0.00 H new ATOM 0 HB2 ASN A 126 -10.957 -5.125 11.451 1.00 0.00 H new ATOM 0 HB3 ASN A 126 -10.785 -3.470 12.002 1.00 0.00 H new ATOM 0 HD21 ASN A 126 -14.108 -4.872 13.246 1.00 0.00 H new ATOM 0 HD22 ASN A 126 -12.425 -5.392 13.390 1.00 0.00 H new ATOM 1054 N TYR A 127 -9.130 -4.450 9.298 1.00 0.00 N ATOM 1055 CA TYR A 127 -7.702 -4.293 8.900 1.00 0.00 C ATOM 1056 C TYR A 127 -7.623 -3.724 7.479 1.00 0.00 C ATOM 1057 O TYR A 127 -6.727 -2.975 7.147 1.00 0.00 O ATOM 1058 CB TYR A 127 -7.011 -5.662 8.960 1.00 0.00 C ATOM 1059 CG TYR A 127 -6.607 -5.974 10.386 1.00 0.00 C ATOM 1060 CD1 TYR A 127 -5.514 -5.312 10.958 1.00 0.00 C ATOM 1061 CD2 TYR A 127 -7.318 -6.923 11.132 1.00 0.00 C ATOM 1062 CE1 TYR A 127 -5.133 -5.596 12.274 1.00 0.00 C ATOM 1063 CE2 TYR A 127 -6.936 -7.207 12.449 1.00 0.00 C ATOM 1064 CZ TYR A 127 -5.843 -6.544 13.020 1.00 0.00 C ATOM 1065 OH TYR A 127 -5.465 -6.824 14.317 1.00 0.00 O ATOM 0 H TYR A 127 -9.454 -5.415 9.368 1.00 0.00 H new ATOM 0 HA TYR A 127 -7.201 -3.606 9.582 1.00 0.00 H new ATOM 0 HB2 TYR A 127 -7.683 -6.435 8.586 1.00 0.00 H new ATOM 0 HB3 TYR A 127 -6.132 -5.664 8.315 1.00 0.00 H new ATOM 0 HD1 TYR A 127 -4.964 -4.581 10.383 1.00 0.00 H new ATOM 0 HD2 TYR A 127 -8.160 -7.435 10.692 1.00 0.00 H new ATOM 0 HE1 TYR A 127 -4.291 -5.083 12.714 1.00 0.00 H new ATOM 0 HE2 TYR A 127 -7.485 -7.938 13.025 1.00 0.00 H new ATOM 0 HH TYR A 127 -6.063 -7.504 14.692 1.00 0.00 H new ATOM 1075 N VAL A 128 -8.555 -4.080 6.637 1.00 0.00 N ATOM 1076 CA VAL A 128 -8.539 -3.569 5.238 1.00 0.00 C ATOM 1077 C VAL A 128 -8.661 -2.042 5.254 1.00 0.00 C ATOM 1078 O VAL A 128 -7.982 -1.348 4.524 1.00 0.00 O ATOM 1079 CB VAL A 128 -9.724 -4.173 4.470 1.00 0.00 C ATOM 1080 CG1 VAL A 128 -9.906 -3.449 3.131 1.00 0.00 C ATOM 1081 CG2 VAL A 128 -9.467 -5.665 4.210 1.00 0.00 C ATOM 0 H VAL A 128 -9.330 -4.705 6.860 1.00 0.00 H new ATOM 0 HA VAL A 128 -7.606 -3.851 4.751 1.00 0.00 H new ATOM 0 HB VAL A 128 -10.628 -4.056 5.068 1.00 0.00 H new ATOM 0 HG11 VAL A 128 -10.749 -3.884 2.594 1.00 0.00 H new ATOM 0 HG12 VAL A 128 -10.098 -2.392 3.312 1.00 0.00 H new ATOM 0 HG13 VAL A 128 -9.001 -3.556 2.534 1.00 0.00 H new ATOM 0 HG21 VAL A 128 -10.310 -6.090 3.665 1.00 0.00 H new ATOM 0 HG22 VAL A 128 -8.558 -5.780 3.620 1.00 0.00 H new ATOM 0 HG23 VAL A 128 -9.350 -6.185 5.161 1.00 0.00 H new ATOM 1091 N ASP A 129 -9.529 -1.519 6.068 1.00 0.00 N ATOM 1092 CA ASP A 129 -9.711 -0.043 6.123 1.00 0.00 C ATOM 1093 C ASP A 129 -8.368 0.638 6.396 1.00 0.00 C ATOM 1094 O ASP A 129 -7.997 1.586 5.731 1.00 0.00 O ATOM 1095 CB ASP A 129 -10.684 0.287 7.251 1.00 0.00 C ATOM 1096 CG ASP A 129 -10.893 1.798 7.330 1.00 0.00 C ATOM 1097 OD1 ASP A 129 -10.208 2.510 6.614 1.00 0.00 O ATOM 1098 OD2 ASP A 129 -11.734 2.219 8.105 1.00 0.00 O ATOM 0 H ASP A 129 -10.124 -2.052 6.702 1.00 0.00 H new ATOM 0 HA ASP A 129 -10.103 0.314 5.171 1.00 0.00 H new ATOM 0 HB2 ASP A 129 -11.637 -0.212 7.079 1.00 0.00 H new ATOM 0 HB3 ASP A 129 -10.296 -0.086 8.199 1.00 0.00 H new ATOM 1103 N SER A 130 -7.639 0.174 7.371 1.00 0.00 N ATOM 1104 CA SER A 130 -6.326 0.804 7.681 1.00 0.00 C ATOM 1105 C SER A 130 -5.352 0.576 6.519 1.00 0.00 C ATOM 1106 O SER A 130 -4.600 1.454 6.147 1.00 0.00 O ATOM 1107 CB SER A 130 -5.762 0.175 8.950 1.00 0.00 C ATOM 1108 OG SER A 130 -5.613 -1.223 8.749 1.00 0.00 O ATOM 0 H SER A 130 -7.895 -0.614 7.966 1.00 0.00 H new ATOM 0 HA SER A 130 -6.460 1.876 7.827 1.00 0.00 H new ATOM 0 HB2 SER A 130 -4.800 0.624 9.197 1.00 0.00 H new ATOM 0 HB3 SER A 130 -6.428 0.365 9.792 1.00 0.00 H new ATOM 0 HG SER A 130 -6.327 -1.547 8.162 1.00 0.00 H new ATOM 1114 N ILE A 131 -5.360 -0.597 5.946 1.00 0.00 N ATOM 1115 CA ILE A 131 -4.441 -0.887 4.809 1.00 0.00 C ATOM 1116 C ILE A 131 -4.808 0.006 3.618 1.00 0.00 C ATOM 1117 O ILE A 131 -3.953 0.558 2.954 1.00 0.00 O ATOM 1118 CB ILE A 131 -4.580 -2.360 4.412 1.00 0.00 C ATOM 1119 CG1 ILE A 131 -4.033 -3.242 5.541 1.00 0.00 C ATOM 1120 CG2 ILE A 131 -3.795 -2.629 3.124 1.00 0.00 C ATOM 1121 CD1 ILE A 131 -4.430 -4.698 5.286 1.00 0.00 C ATOM 0 H ILE A 131 -5.967 -1.370 6.218 1.00 0.00 H new ATOM 0 HA ILE A 131 -3.412 -0.686 5.106 1.00 0.00 H new ATOM 0 HB ILE A 131 -5.632 -2.591 4.242 1.00 0.00 H new ATOM 0 HG12 ILE A 131 -2.948 -3.153 5.594 1.00 0.00 H new ATOM 0 HG13 ILE A 131 -4.427 -2.909 6.501 1.00 0.00 H new ATOM 0 HG21 ILE A 131 -3.898 -3.678 2.847 1.00 0.00 H new ATOM 0 HG22 ILE A 131 -4.186 -2.002 2.322 1.00 0.00 H new ATOM 0 HG23 ILE A 131 -2.742 -2.398 3.285 1.00 0.00 H new ATOM 0 HD11 ILE A 131 -4.042 -5.327 6.088 1.00 0.00 H new ATOM 0 HD12 ILE A 131 -5.517 -4.779 5.255 1.00 0.00 H new ATOM 0 HD13 ILE A 131 -4.014 -5.027 4.334 1.00 0.00 H new ATOM 1133 N VAL A 132 -6.075 0.139 3.344 1.00 0.00 N ATOM 1134 CA VAL A 132 -6.518 0.982 2.198 1.00 0.00 C ATOM 1135 C VAL A 132 -6.076 2.432 2.421 1.00 0.00 C ATOM 1136 O VAL A 132 -5.566 3.079 1.527 1.00 0.00 O ATOM 1137 CB VAL A 132 -8.048 0.916 2.108 1.00 0.00 C ATOM 1138 CG1 VAL A 132 -8.567 1.964 1.121 1.00 0.00 C ATOM 1139 CG2 VAL A 132 -8.478 -0.480 1.642 1.00 0.00 C ATOM 0 H VAL A 132 -6.829 -0.304 3.869 1.00 0.00 H new ATOM 0 HA VAL A 132 -6.073 0.617 1.272 1.00 0.00 H new ATOM 0 HB VAL A 132 -8.466 1.118 3.094 1.00 0.00 H new ATOM 0 HG11 VAL A 132 -9.654 1.906 1.067 1.00 0.00 H new ATOM 0 HG12 VAL A 132 -8.273 2.958 1.458 1.00 0.00 H new ATOM 0 HG13 VAL A 132 -8.144 1.775 0.134 1.00 0.00 H new ATOM 0 HG21 VAL A 132 -9.565 -0.524 1.579 1.00 0.00 H new ATOM 0 HG22 VAL A 132 -8.049 -0.684 0.661 1.00 0.00 H new ATOM 0 HG23 VAL A 132 -8.126 -1.226 2.354 1.00 0.00 H new ATOM 1149 N ALA A 133 -6.275 2.950 3.599 1.00 0.00 N ATOM 1150 CA ALA A 133 -5.874 4.356 3.873 1.00 0.00 C ATOM 1151 C ALA A 133 -4.355 4.494 3.741 1.00 0.00 C ATOM 1152 O ALA A 133 -3.855 5.451 3.184 1.00 0.00 O ATOM 1153 CB ALA A 133 -6.299 4.724 5.293 1.00 0.00 C ATOM 0 H ALA A 133 -6.699 2.459 4.386 1.00 0.00 H new ATOM 0 HA ALA A 133 -6.356 5.022 3.158 1.00 0.00 H new ATOM 0 HB1 ALA A 133 -6.010 5.753 5.504 1.00 0.00 H new ATOM 0 HB2 ALA A 133 -7.380 4.625 5.386 1.00 0.00 H new ATOM 0 HB3 ALA A 133 -5.811 4.057 6.003 1.00 0.00 H new ATOM 1159 N SER A 134 -3.622 3.544 4.249 1.00 0.00 N ATOM 1160 CA SER A 134 -2.137 3.609 4.155 1.00 0.00 C ATOM 1161 C SER A 134 -1.710 3.569 2.686 1.00 0.00 C ATOM 1162 O SER A 134 -0.837 4.299 2.262 1.00 0.00 O ATOM 1163 CB SER A 134 -1.540 2.418 4.898 1.00 0.00 C ATOM 1164 OG SER A 134 -1.770 2.574 6.292 1.00 0.00 O ATOM 0 H SER A 134 -3.989 2.721 4.728 1.00 0.00 H new ATOM 0 HA SER A 134 -1.781 4.537 4.602 1.00 0.00 H new ATOM 0 HB2 SER A 134 -1.991 1.491 4.544 1.00 0.00 H new ATOM 0 HB3 SER A 134 -0.471 2.349 4.699 1.00 0.00 H new ATOM 0 HG SER A 134 -2.674 2.265 6.511 1.00 0.00 H new ATOM 1170 N THR A 135 -2.320 2.716 1.909 1.00 0.00 N ATOM 1171 CA THR A 135 -1.956 2.619 0.468 1.00 0.00 C ATOM 1172 C THR A 135 -2.337 3.913 -0.257 1.00 0.00 C ATOM 1173 O THR A 135 -1.593 4.417 -1.074 1.00 0.00 O ATOM 1174 CB THR A 135 -2.712 1.443 -0.158 1.00 0.00 C ATOM 1175 OG1 THR A 135 -4.066 1.479 0.271 1.00 0.00 O ATOM 1176 CG2 THR A 135 -2.070 0.125 0.274 1.00 0.00 C ATOM 0 H THR A 135 -3.058 2.080 2.212 1.00 0.00 H new ATOM 0 HA THR A 135 -0.881 2.464 0.375 1.00 0.00 H new ATOM 0 HB THR A 135 -2.669 1.519 -1.245 1.00 0.00 H new ATOM 0 HG1 THR A 135 -4.233 2.312 0.759 1.00 0.00 H new ATOM 0 HG21 THR A 135 -2.612 -0.708 -0.174 1.00 0.00 H new ATOM 0 HG22 THR A 135 -1.031 0.101 -0.055 1.00 0.00 H new ATOM 0 HG23 THR A 135 -2.108 0.040 1.360 1.00 0.00 H new ATOM 1184 N ASN A 136 -3.490 4.447 0.035 1.00 0.00 N ATOM 1185 CA ASN A 136 -3.933 5.701 -0.637 1.00 0.00 C ATOM 1186 C ASN A 136 -2.964 6.837 -0.299 1.00 0.00 C ATOM 1187 O ASN A 136 -2.632 7.652 -1.137 1.00 0.00 O ATOM 1188 CB ASN A 136 -5.336 6.060 -0.149 1.00 0.00 C ATOM 1189 CG ASN A 136 -6.358 5.117 -0.789 1.00 0.00 C ATOM 1190 OD1 ASN A 136 -6.076 4.480 -1.785 1.00 0.00 O ATOM 1191 ND2 ASN A 136 -7.542 5.002 -0.253 1.00 0.00 N ATOM 0 H ASN A 136 -4.149 4.066 0.714 1.00 0.00 H new ATOM 0 HA ASN A 136 -3.946 5.553 -1.717 1.00 0.00 H new ATOM 0 HB2 ASN A 136 -5.385 5.983 0.937 1.00 0.00 H new ATOM 0 HB3 ASN A 136 -5.568 7.093 -0.406 1.00 0.00 H new ATOM 0 HD21 ASN A 136 -8.232 4.377 -0.670 1.00 0.00 H new ATOM 0 HD22 ASN A 136 -7.778 5.537 0.583 1.00 0.00 H new ATOM 1198 N MET A 137 -2.514 6.898 0.922 1.00 0.00 N ATOM 1199 CA MET A 137 -1.570 7.979 1.316 1.00 0.00 C ATOM 1200 C MET A 137 -0.278 7.835 0.512 1.00 0.00 C ATOM 1201 O MET A 137 0.301 8.809 0.070 1.00 0.00 O ATOM 1202 CB MET A 137 -1.260 7.851 2.808 1.00 0.00 C ATOM 1203 CG MET A 137 -2.458 8.335 3.627 1.00 0.00 C ATOM 1204 SD MET A 137 -2.141 8.049 5.388 1.00 0.00 S ATOM 1205 CE MET A 137 -0.833 9.283 5.610 1.00 0.00 C ATOM 0 H MET A 137 -2.760 6.245 1.666 1.00 0.00 H new ATOM 0 HA MET A 137 -2.016 8.953 1.117 1.00 0.00 H new ATOM 0 HB2 MET A 137 -1.034 6.814 3.055 1.00 0.00 H new ATOM 0 HB3 MET A 137 -0.376 8.438 3.057 1.00 0.00 H new ATOM 0 HG2 MET A 137 -2.632 9.396 3.445 1.00 0.00 H new ATOM 0 HG3 MET A 137 -3.360 7.807 3.318 1.00 0.00 H new ATOM 0 HE1 MET A 137 -1.024 9.857 6.517 1.00 0.00 H new ATOM 0 HE2 MET A 137 0.131 8.781 5.695 1.00 0.00 H new ATOM 0 HE3 MET A 137 -0.817 9.955 4.752 1.00 0.00 H new ATOM 1215 N ILE A 138 0.181 6.628 0.322 1.00 0.00 N ATOM 1216 CA ILE A 138 1.436 6.421 -0.453 1.00 0.00 C ATOM 1217 C ILE A 138 1.224 6.887 -1.896 1.00 0.00 C ATOM 1218 O ILE A 138 2.056 7.561 -2.469 1.00 0.00 O ATOM 1219 CB ILE A 138 1.788 4.929 -0.447 1.00 0.00 C ATOM 1220 CG1 ILE A 138 2.180 4.502 0.974 1.00 0.00 C ATOM 1221 CG2 ILE A 138 2.954 4.668 -1.405 1.00 0.00 C ATOM 1222 CD1 ILE A 138 2.302 2.976 1.040 1.00 0.00 C ATOM 0 H ILE A 138 -0.259 5.776 0.670 1.00 0.00 H new ATOM 0 HA ILE A 138 2.247 6.993 -0.002 1.00 0.00 H new ATOM 0 HB ILE A 138 0.922 4.352 -0.773 1.00 0.00 H new ATOM 0 HG12 ILE A 138 3.126 4.965 1.255 1.00 0.00 H new ATOM 0 HG13 ILE A 138 1.432 4.848 1.687 1.00 0.00 H new ATOM 0 HG21 ILE A 138 3.201 3.606 -1.397 1.00 0.00 H new ATOM 0 HG22 ILE A 138 2.670 4.967 -2.414 1.00 0.00 H new ATOM 0 HG23 ILE A 138 3.823 5.244 -1.087 1.00 0.00 H new ATOM 0 HD11 ILE A 138 2.580 2.677 2.050 1.00 0.00 H new ATOM 0 HD12 ILE A 138 1.346 2.523 0.778 1.00 0.00 H new ATOM 0 HD13 ILE A 138 3.067 2.641 0.339 1.00 0.00 H new ATOM 1234 N PHE A 139 0.115 6.531 -2.487 1.00 0.00 N ATOM 1235 CA PHE A 139 -0.151 6.952 -3.890 1.00 0.00 C ATOM 1236 C PHE A 139 -0.299 8.474 -3.945 1.00 0.00 C ATOM 1237 O PHE A 139 0.244 9.133 -4.810 1.00 0.00 O ATOM 1238 CB PHE A 139 -1.441 6.288 -4.387 1.00 0.00 C ATOM 1239 CG PHE A 139 -1.209 4.807 -4.622 1.00 0.00 C ATOM 1240 CD1 PHE A 139 -0.284 4.385 -5.589 1.00 0.00 C ATOM 1241 CD2 PHE A 139 -1.922 3.853 -3.879 1.00 0.00 C ATOM 1242 CE1 PHE A 139 -0.072 3.018 -5.806 1.00 0.00 C ATOM 1243 CE2 PHE A 139 -1.708 2.488 -4.100 1.00 0.00 C ATOM 1244 CZ PHE A 139 -0.783 2.070 -5.063 1.00 0.00 C ATOM 0 H PHE A 139 -0.618 5.966 -2.057 1.00 0.00 H new ATOM 0 HA PHE A 139 0.679 6.647 -4.527 1.00 0.00 H new ATOM 0 HB2 PHE A 139 -2.236 6.428 -3.655 1.00 0.00 H new ATOM 0 HB3 PHE A 139 -1.771 6.763 -5.311 1.00 0.00 H new ATOM 0 HD1 PHE A 139 0.265 5.115 -6.166 1.00 0.00 H new ATOM 0 HD2 PHE A 139 -2.637 4.173 -3.136 1.00 0.00 H new ATOM 0 HE1 PHE A 139 0.642 2.695 -6.549 1.00 0.00 H new ATOM 0 HE2 PHE A 139 -2.257 1.756 -3.527 1.00 0.00 H new ATOM 0 HZ PHE A 139 -0.618 1.016 -5.232 1.00 0.00 H new ATOM 1254 N LYS A 140 -1.028 9.032 -3.020 1.00 0.00 N ATOM 1255 CA LYS A 140 -1.217 10.508 -2.992 1.00 0.00 C ATOM 1256 C LYS A 140 0.127 11.187 -2.721 1.00 0.00 C ATOM 1257 O LYS A 140 0.416 12.245 -3.242 1.00 0.00 O ATOM 1258 CB LYS A 140 -2.215 10.865 -1.892 1.00 0.00 C ATOM 1259 CG LYS A 140 -3.618 10.413 -2.304 1.00 0.00 C ATOM 1260 CD LYS A 140 -4.604 10.732 -1.178 1.00 0.00 C ATOM 1261 CE LYS A 140 -6.011 10.294 -1.590 1.00 0.00 C ATOM 1262 NZ LYS A 140 -6.966 10.586 -0.484 1.00 0.00 N ATOM 0 H LYS A 140 -1.505 8.524 -2.276 1.00 0.00 H new ATOM 0 HA LYS A 140 -1.602 10.851 -3.952 1.00 0.00 H new ATOM 0 HB2 LYS A 140 -1.928 10.385 -0.957 1.00 0.00 H new ATOM 0 HB3 LYS A 140 -2.206 11.940 -1.714 1.00 0.00 H new ATOM 0 HG2 LYS A 140 -3.920 10.918 -3.221 1.00 0.00 H new ATOM 0 HG3 LYS A 140 -3.621 9.343 -2.513 1.00 0.00 H new ATOM 0 HD2 LYS A 140 -4.306 10.220 -0.263 1.00 0.00 H new ATOM 0 HD3 LYS A 140 -4.593 11.800 -0.963 1.00 0.00 H new ATOM 0 HE2 LYS A 140 -6.316 10.818 -2.496 1.00 0.00 H new ATOM 0 HE3 LYS A 140 -6.019 9.229 -1.820 1.00 0.00 H new ATOM 0 HZ1 LYS A 140 -7.922 10.288 -0.764 1.00 0.00 H new ATOM 0 HZ2 LYS A 140 -6.678 10.067 0.370 1.00 0.00 H new ATOM 0 HZ3 LYS A 140 -6.965 11.607 -0.285 1.00 0.00 H new ATOM 1276 N TYR A 141 0.948 10.585 -1.904 1.00 0.00 N ATOM 1277 CA TYR A 141 2.271 11.190 -1.595 1.00 0.00 C ATOM 1278 C TYR A 141 3.054 11.360 -2.895 1.00 0.00 C ATOM 1279 O TYR A 141 3.648 12.390 -3.147 1.00 0.00 O ATOM 1280 CB TYR A 141 3.036 10.263 -0.651 1.00 0.00 C ATOM 1281 CG TYR A 141 4.417 10.819 -0.397 1.00 0.00 C ATOM 1282 CD1 TYR A 141 4.597 11.852 0.532 1.00 0.00 C ATOM 1283 CD2 TYR A 141 5.519 10.303 -1.091 1.00 0.00 C ATOM 1284 CE1 TYR A 141 5.879 12.365 0.768 1.00 0.00 C ATOM 1285 CE2 TYR A 141 6.799 10.817 -0.855 1.00 0.00 C ATOM 1286 CZ TYR A 141 6.979 11.847 0.075 1.00 0.00 C ATOM 1287 OH TYR A 141 8.242 12.354 0.306 1.00 0.00 O ATOM 0 H TYR A 141 0.757 9.698 -1.437 1.00 0.00 H new ATOM 0 HA TYR A 141 2.138 12.162 -1.120 1.00 0.00 H new ATOM 0 HB2 TYR A 141 2.496 10.161 0.290 1.00 0.00 H new ATOM 0 HB3 TYR A 141 3.109 9.266 -1.086 1.00 0.00 H new ATOM 0 HD1 TYR A 141 3.748 12.253 1.066 1.00 0.00 H new ATOM 0 HD2 TYR A 141 5.381 9.508 -1.809 1.00 0.00 H new ATOM 0 HE1 TYR A 141 6.019 13.161 1.485 1.00 0.00 H new ATOM 0 HE2 TYR A 141 7.648 10.419 -1.391 1.00 0.00 H new ATOM 0 HH TYR A 141 8.892 11.882 -0.256 1.00 0.00 H new ATOM 1297 N ALA A 142 3.053 10.357 -3.728 1.00 0.00 N ATOM 1298 CA ALA A 142 3.788 10.460 -5.016 1.00 0.00 C ATOM 1299 C ALA A 142 3.150 11.561 -5.867 1.00 0.00 C ATOM 1300 O ALA A 142 3.826 12.322 -6.532 1.00 0.00 O ATOM 1301 CB ALA A 142 3.697 9.125 -5.751 1.00 0.00 C ATOM 0 H ALA A 142 2.574 9.470 -3.571 1.00 0.00 H new ATOM 0 HA ALA A 142 4.835 10.702 -4.832 1.00 0.00 H new ATOM 0 HB1 ALA A 142 4.234 9.193 -6.697 1.00 0.00 H new ATOM 0 HB2 ALA A 142 4.141 8.341 -5.137 1.00 0.00 H new ATOM 0 HB3 ALA A 142 2.651 8.886 -5.944 1.00 0.00 H new ATOM 1307 N TYR A 143 1.848 11.652 -5.838 1.00 0.00 N ATOM 1308 CA TYR A 143 1.144 12.701 -6.623 1.00 0.00 C ATOM 1309 C TYR A 143 1.575 14.082 -6.121 1.00 0.00 C ATOM 1310 O TYR A 143 1.823 14.986 -6.893 1.00 0.00 O ATOM 1311 CB TYR A 143 -0.364 12.536 -6.444 1.00 0.00 C ATOM 1312 CG TYR A 143 -1.083 13.654 -7.161 1.00 0.00 C ATOM 1313 CD1 TYR A 143 -1.246 13.605 -8.551 1.00 0.00 C ATOM 1314 CD2 TYR A 143 -1.587 14.740 -6.435 1.00 0.00 C ATOM 1315 CE1 TYR A 143 -1.912 14.643 -9.214 1.00 0.00 C ATOM 1316 CE2 TYR A 143 -2.253 15.777 -7.098 1.00 0.00 C ATOM 1317 CZ TYR A 143 -2.417 15.728 -8.487 1.00 0.00 C ATOM 1318 OH TYR A 143 -3.073 16.751 -9.141 1.00 0.00 O ATOM 0 H TYR A 143 1.238 11.038 -5.298 1.00 0.00 H new ATOM 0 HA TYR A 143 1.396 12.605 -7.679 1.00 0.00 H new ATOM 0 HB2 TYR A 143 -0.684 11.572 -6.839 1.00 0.00 H new ATOM 0 HB3 TYR A 143 -0.618 12.547 -5.384 1.00 0.00 H new ATOM 0 HD1 TYR A 143 -0.858 12.767 -9.111 1.00 0.00 H new ATOM 0 HD2 TYR A 143 -1.462 14.777 -5.363 1.00 0.00 H new ATOM 0 HE1 TYR A 143 -2.036 14.607 -10.286 1.00 0.00 H new ATOM 0 HE2 TYR A 143 -2.640 16.615 -6.538 1.00 0.00 H new ATOM 0 HH TYR A 143 -3.361 17.424 -8.490 1.00 0.00 H new ATOM 1328 N ASP A 144 1.663 14.246 -4.829 1.00 0.00 N ATOM 1329 CA ASP A 144 2.075 15.560 -4.264 1.00 0.00 C ATOM 1330 C ASP A 144 3.484 15.899 -4.749 1.00 0.00 C ATOM 1331 O ASP A 144 3.786 17.027 -5.084 1.00 0.00 O ATOM 1332 CB ASP A 144 2.079 15.473 -2.738 1.00 0.00 C ATOM 1333 CG ASP A 144 0.643 15.435 -2.216 1.00 0.00 C ATOM 1334 OD1 ASP A 144 -0.256 15.757 -2.977 1.00 0.00 O ATOM 1335 OD2 ASP A 144 0.465 15.083 -1.061 1.00 0.00 O ATOM 0 H ASP A 144 1.466 13.522 -4.138 1.00 0.00 H new ATOM 0 HA ASP A 144 1.378 16.333 -4.588 1.00 0.00 H new ATOM 0 HB2 ASP A 144 2.616 14.580 -2.417 1.00 0.00 H new ATOM 0 HB3 ASP A 144 2.606 16.330 -2.317 1.00 0.00 H new ATOM 1340 N THR A 145 4.352 14.927 -4.785 1.00 0.00 N ATOM 1341 CA THR A 145 5.744 15.181 -5.244 1.00 0.00 C ATOM 1342 C THR A 145 5.724 15.514 -6.739 1.00 0.00 C ATOM 1343 O THR A 145 6.754 15.653 -7.365 1.00 0.00 O ATOM 1344 CB THR A 145 6.586 13.924 -4.995 1.00 0.00 C ATOM 1345 OG1 THR A 145 6.239 13.374 -3.732 1.00 0.00 O ATOM 1346 CG2 THR A 145 8.076 14.275 -5.005 1.00 0.00 C ATOM 0 H THR A 145 4.155 13.963 -4.515 1.00 0.00 H new ATOM 0 HA THR A 145 6.177 16.018 -4.697 1.00 0.00 H new ATOM 0 HB THR A 145 6.389 13.199 -5.784 1.00 0.00 H new ATOM 0 HG1 THR A 145 6.773 12.569 -3.568 1.00 0.00 H new ATOM 0 HG21 THR A 145 8.663 13.374 -4.827 1.00 0.00 H new ATOM 0 HG22 THR A 145 8.344 14.697 -5.974 1.00 0.00 H new ATOM 0 HG23 THR A 145 8.283 15.004 -4.222 1.00 0.00 H new ATOM 1354 N ARG A 146 4.547 15.630 -7.308 1.00 0.00 N ATOM 1355 CA ARG A 146 4.411 15.947 -8.763 1.00 0.00 C ATOM 1356 C ARG A 146 5.082 14.854 -9.600 1.00 0.00 C ATOM 1357 O ARG A 146 5.375 15.040 -10.765 1.00 0.00 O ATOM 1358 CB ARG A 146 5.034 17.319 -9.070 1.00 0.00 C ATOM 1359 CG ARG A 146 4.190 18.413 -8.411 1.00 0.00 C ATOM 1360 CD ARG A 146 4.877 19.771 -8.583 1.00 0.00 C ATOM 1361 NE ARG A 146 5.016 20.083 -10.034 1.00 0.00 N ATOM 1362 CZ ARG A 146 4.047 20.673 -10.686 1.00 0.00 C ATOM 1363 NH1 ARG A 146 2.941 20.994 -10.071 1.00 0.00 N ATOM 1364 NH2 ARG A 146 4.190 20.941 -11.955 1.00 0.00 N ATOM 0 H ARG A 146 3.661 15.516 -6.815 1.00 0.00 H new ATOM 0 HA ARG A 146 3.352 15.985 -9.020 1.00 0.00 H new ATOM 0 HB2 ARG A 146 6.058 17.359 -8.698 1.00 0.00 H new ATOM 0 HB3 ARG A 146 5.080 17.478 -10.147 1.00 0.00 H new ATOM 0 HG2 ARG A 146 3.197 18.438 -8.859 1.00 0.00 H new ATOM 0 HG3 ARG A 146 4.057 18.194 -7.352 1.00 0.00 H new ATOM 0 HD2 ARG A 146 4.296 20.549 -8.088 1.00 0.00 H new ATOM 0 HD3 ARG A 146 5.858 19.756 -8.109 1.00 0.00 H new ATOM 0 HE ARG A 146 5.875 19.834 -10.524 1.00 0.00 H new ATOM 0 HH11 ARG A 146 2.830 20.785 -9.079 1.00 0.00 H new ATOM 0 HH12 ARG A 146 2.188 21.454 -10.583 1.00 0.00 H new ATOM 0 HH21 ARG A 146 5.055 20.691 -12.435 1.00 0.00 H new ATOM 0 HH22 ARG A 146 3.437 21.401 -12.467 1.00 0.00 H new ATOM 1378 N LEU A 147 5.302 13.704 -9.019 1.00 0.00 N ATOM 1379 CA LEU A 147 5.924 12.582 -9.778 1.00 0.00 C ATOM 1380 C LEU A 147 4.976 12.122 -10.887 1.00 0.00 C ATOM 1381 O LEU A 147 5.398 11.815 -11.985 1.00 0.00 O ATOM 1382 CB LEU A 147 6.200 11.418 -8.817 1.00 0.00 C ATOM 1383 CG LEU A 147 7.505 11.669 -8.039 1.00 0.00 C ATOM 1384 CD1 LEU A 147 7.544 10.765 -6.805 1.00 0.00 C ATOM 1385 CD2 LEU A 147 8.730 11.362 -8.925 1.00 0.00 C ATOM 0 H LEU A 147 5.076 13.494 -8.047 1.00 0.00 H new ATOM 0 HA LEU A 147 6.860 12.917 -10.226 1.00 0.00 H new ATOM 0 HB2 LEU A 147 5.369 11.307 -8.121 1.00 0.00 H new ATOM 0 HB3 LEU A 147 6.275 10.485 -9.376 1.00 0.00 H new ATOM 0 HG LEU A 147 7.536 12.716 -7.739 1.00 0.00 H new ATOM 0 HD11 LEU A 147 8.467 10.942 -6.253 1.00 0.00 H new ATOM 0 HD12 LEU A 147 6.691 10.987 -6.164 1.00 0.00 H new ATOM 0 HD13 LEU A 147 7.502 9.721 -7.117 1.00 0.00 H new ATOM 0 HD21 LEU A 147 9.643 11.545 -8.359 1.00 0.00 H new ATOM 0 HD22 LEU A 147 8.700 10.318 -9.238 1.00 0.00 H new ATOM 0 HD23 LEU A 147 8.713 12.005 -9.805 1.00 0.00 H new ATOM 1397 N ILE A 148 3.699 12.054 -10.599 1.00 0.00 N ATOM 1398 CA ILE A 148 2.708 11.600 -11.623 1.00 0.00 C ATOM 1399 C ILE A 148 1.547 12.586 -11.700 1.00 0.00 C ATOM 1400 O ILE A 148 1.224 13.263 -10.743 1.00 0.00 O ATOM 1401 CB ILE A 148 2.188 10.211 -11.236 1.00 0.00 C ATOM 1402 CG1 ILE A 148 1.544 10.257 -9.843 1.00 0.00 C ATOM 1403 CG2 ILE A 148 3.350 9.216 -11.222 1.00 0.00 C ATOM 1404 CD1 ILE A 148 0.940 8.889 -9.519 1.00 0.00 C ATOM 0 H ILE A 148 3.299 12.295 -9.692 1.00 0.00 H new ATOM 0 HA ILE A 148 3.190 11.552 -12.599 1.00 0.00 H new ATOM 0 HB ILE A 148 1.442 9.897 -11.966 1.00 0.00 H new ATOM 0 HG12 ILE A 148 2.289 10.525 -9.094 1.00 0.00 H new ATOM 0 HG13 ILE A 148 0.771 11.025 -9.812 1.00 0.00 H new ATOM 0 HG21 ILE A 148 2.980 8.228 -10.947 1.00 0.00 H new ATOM 0 HG22 ILE A 148 3.802 9.171 -12.213 1.00 0.00 H new ATOM 0 HG23 ILE A 148 4.097 9.539 -10.497 1.00 0.00 H new ATOM 0 HD11 ILE A 148 0.482 8.918 -8.530 1.00 0.00 H new ATOM 0 HD12 ILE A 148 0.183 8.640 -10.263 1.00 0.00 H new ATOM 0 HD13 ILE A 148 1.724 8.132 -9.533 1.00 0.00 H new ATOM 1416 N LYS A 149 0.917 12.665 -12.838 1.00 0.00 N ATOM 1417 CA LYS A 149 -0.232 13.593 -13.006 1.00 0.00 C ATOM 1418 C LYS A 149 -1.530 12.837 -12.715 1.00 0.00 C ATOM 1419 O LYS A 149 -2.593 13.417 -12.637 1.00 0.00 O ATOM 1420 CB LYS A 149 -0.241 14.112 -14.446 1.00 0.00 C ATOM 1421 CG LYS A 149 -0.405 12.938 -15.420 1.00 0.00 C ATOM 1422 CD LYS A 149 -0.304 13.453 -16.858 1.00 0.00 C ATOM 1423 CE LYS A 149 -0.427 12.284 -17.841 1.00 0.00 C ATOM 1424 NZ LYS A 149 -1.857 11.887 -17.964 1.00 0.00 N ATOM 0 H LYS A 149 1.153 12.120 -13.667 1.00 0.00 H new ATOM 0 HA LYS A 149 -0.144 14.434 -12.318 1.00 0.00 H new ATOM 0 HB2 LYS A 149 -1.055 14.825 -14.580 1.00 0.00 H new ATOM 0 HB3 LYS A 149 0.687 14.644 -14.656 1.00 0.00 H new ATOM 0 HG2 LYS A 149 0.364 12.188 -15.236 1.00 0.00 H new ATOM 0 HG3 LYS A 149 -1.368 12.452 -15.263 1.00 0.00 H new ATOM 0 HD2 LYS A 149 -1.091 14.183 -17.048 1.00 0.00 H new ATOM 0 HD3 LYS A 149 0.648 13.964 -17.004 1.00 0.00 H new ATOM 0 HE2 LYS A 149 -0.033 12.572 -18.816 1.00 0.00 H new ATOM 0 HE3 LYS A 149 0.168 11.439 -17.494 1.00 0.00 H new ATOM 0 HZ1 LYS A 149 -1.943 11.105 -18.644 1.00 0.00 H new ATOM 0 HZ2 LYS A 149 -2.213 11.580 -17.036 1.00 0.00 H new ATOM 0 HZ3 LYS A 149 -2.415 12.699 -18.298 1.00 0.00 H new ATOM 1438 N ALA A 150 -1.448 11.537 -12.563 1.00 0.00 N ATOM 1439 CA ALA A 150 -2.672 10.722 -12.289 1.00 0.00 C ATOM 1440 C ALA A 150 -2.768 10.398 -10.797 1.00 0.00 C ATOM 1441 O ALA A 150 -1.834 10.590 -10.046 1.00 0.00 O ATOM 1442 CB ALA A 150 -2.592 9.415 -13.078 1.00 0.00 C ATOM 0 H ALA A 150 -0.580 11.003 -12.617 1.00 0.00 H new ATOM 0 HA ALA A 150 -3.552 11.291 -12.590 1.00 0.00 H new ATOM 0 HB1 ALA A 150 -3.482 8.817 -12.882 1.00 0.00 H new ATOM 0 HB2 ALA A 150 -2.531 9.636 -14.144 1.00 0.00 H new ATOM 0 HB3 ALA A 150 -1.706 8.859 -12.772 1.00 0.00 H new ATOM 1448 N MET A 151 -3.896 9.897 -10.373 1.00 0.00 N ATOM 1449 CA MET A 151 -4.069 9.543 -8.939 1.00 0.00 C ATOM 1450 C MET A 151 -5.224 8.545 -8.809 1.00 0.00 C ATOM 1451 O MET A 151 -6.294 8.884 -8.343 1.00 0.00 O ATOM 1452 CB MET A 151 -4.390 10.805 -8.133 1.00 0.00 C ATOM 1453 CG MET A 151 -4.301 10.499 -6.633 1.00 0.00 C ATOM 1454 SD MET A 151 -5.197 11.771 -5.707 1.00 0.00 S ATOM 1455 CE MET A 151 -3.962 13.082 -5.872 1.00 0.00 C ATOM 0 H MET A 151 -4.708 9.717 -10.963 1.00 0.00 H new ATOM 0 HA MET A 151 -3.151 9.098 -8.556 1.00 0.00 H new ATOM 0 HB2 MET A 151 -3.692 11.601 -8.393 1.00 0.00 H new ATOM 0 HB3 MET A 151 -5.389 11.163 -8.382 1.00 0.00 H new ATOM 0 HG2 MET A 151 -4.724 9.516 -6.425 1.00 0.00 H new ATOM 0 HG3 MET A 151 -3.258 10.470 -6.317 1.00 0.00 H new ATOM 0 HE1 MET A 151 -4.306 13.974 -5.349 1.00 0.00 H new ATOM 0 HE2 MET A 151 -3.018 12.749 -5.440 1.00 0.00 H new ATOM 0 HE3 MET A 151 -3.816 13.314 -6.927 1.00 0.00 H new ATOM 1465 N PRO A 152 -5.006 7.325 -9.229 1.00 0.00 N ATOM 1466 CA PRO A 152 -6.046 6.251 -9.174 1.00 0.00 C ATOM 1467 C PRO A 152 -6.613 6.055 -7.761 1.00 0.00 C ATOM 1468 O PRO A 152 -5.882 5.961 -6.796 1.00 0.00 O ATOM 1469 CB PRO A 152 -5.293 4.992 -9.643 1.00 0.00 C ATOM 1470 CG PRO A 152 -4.143 5.507 -10.448 1.00 0.00 C ATOM 1471 CD PRO A 152 -3.746 6.837 -9.809 1.00 0.00 C ATOM 0 HA PRO A 152 -6.912 6.493 -9.790 1.00 0.00 H new ATOM 0 HB2 PRO A 152 -4.948 4.400 -8.795 1.00 0.00 H new ATOM 0 HB3 PRO A 152 -5.936 4.347 -10.241 1.00 0.00 H new ATOM 0 HG2 PRO A 152 -3.311 4.803 -10.434 1.00 0.00 H new ATOM 0 HG3 PRO A 152 -4.427 5.644 -11.491 1.00 0.00 H new ATOM 0 HD2 PRO A 152 -2.978 6.704 -9.047 1.00 0.00 H new ATOM 0 HD3 PRO A 152 -3.346 7.534 -10.546 1.00 0.00 H new