USER MOD reduce.3.24.130724 H: found=0, std=0, add=820, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 819 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 23 TYR OH : rot -30:sc= 0.934 USER MOD Set 1.2: A 65 SER OG : rot 166:sc= 1.23 USER MOD Set 1.3: A 74 GLN : amide:sc= -1.09 K(o=1.1,f=-3.4!) USER MOD Single : A 3 GLN : amide:sc= -0.0617 X(o=-0.062,f=-0.062) USER MOD Single : A 7 GLN : amide:sc= -0.158 X(o=-0.16,f=-0.079) USER MOD Single : A 13 HIS : no HD1:sc= -1.16 K(o=-1.2,f=-2.3!) USER MOD Single : A 14 GLN : amide:sc= 0.175 K(o=0.18,f=-0.75) USER MOD Single : A 17 LYS NZ :NH3+ -170:sc=-0.00288 (180deg=-0.144) USER MOD Single : A 19 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0238) USER MOD Single : A 21 SER OG : rot 80:sc= -0.132 USER MOD Single : A 22 THR OG1 : rot -69:sc= -0.356 USER MOD Single : A 28 LYS NZ :NH3+ 136:sc= -1.49 (180deg=-4.08!) USER MOD Single : A 29 MET CE :methyl 173:sc= 0 (180deg=-0.0362) USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 HIS : no HD1:sc= -0.0413 K(o=-0.041,f=-0.58) USER MOD Single : A 41 LYS NZ :NH3+ -112:sc= -0.624 (180deg=-2.36!) USER MOD Single : A 45 ASN : amide:sc= -0.0638 X(o=-0.064,f=-0.024) USER MOD Single : A 50 SER OG : rot 180:sc= 0.241 USER MOD Single : A 51 LYS NZ :NH3+ -171:sc= -0.025 (180deg=-0.159) USER MOD Single : A 59 ASN : amide:sc= -1.05! C(o=-1.1!,f=-6.9!) USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 61 GLN :FLIP amide:sc= -0.109 F(o=-0.83,f=-0.11) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 LYS NZ :NH3+ -170:sc= -0.0132 (180deg=-0.118) USER MOD Single : A 75 LYS NZ :NH3+ -120:sc= 1.28 (180deg=-0.0148) USER MOD Single : A 76 GLN : amide:sc= -0.298 K(o=-0.3,f=-2.3!) USER MOD Single : A 77 LYS NZ :NH3+ -133:sc= 0.436 (180deg=0) USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 90 LYS NZ :NH3+ -169:sc=-0.00955 (180deg=-0.178) USER MOD Single : A 95 LYS NZ :NH3+ 163:sc= -0.0766 (180deg=-0.366) USER MOD Single : A 96 TYR OH : rot 165:sc= 0.763 USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 20 N ASP A 2 -16.412 -3.426 9.797 1.00 60.32 N ATOM 21 CA ASP A 2 -16.707 -4.265 8.627 1.00 11.02 C ATOM 22 C ASP A 2 -15.676 -5.390 8.435 1.00 3.33 C ATOM 23 O ASP A 2 -14.467 -5.138 8.414 1.00 55.22 O ATOM 24 CB ASP A 2 -16.747 -3.393 7.367 1.00 14.23 C ATOM 25 CG ASP A 2 -17.777 -2.280 7.455 1.00 60.35 C ATOM 26 OD1 ASP A 2 -17.706 -1.471 8.406 1.00 3.01 O ATOM 27 OD2 ASP A 2 -18.659 -2.206 6.575 1.00 33.54 O ATOM 0 HA ASP A 2 -17.676 -4.733 8.800 1.00 11.02 H new ATOM 0 HB2 ASP A 2 -15.762 -2.958 7.200 1.00 14.23 H new ATOM 0 HB3 ASP A 2 -16.969 -4.020 6.503 1.00 14.23 H new ATOM 32 N GLN A 3 -16.159 -6.623 8.267 1.00 54.31 N ATOM 33 CA GLN A 3 -15.275 -7.777 8.044 1.00 53.23 C ATOM 34 C GLN A 3 -14.393 -7.568 6.804 1.00 71.43 C ATOM 35 O GLN A 3 -13.292 -8.108 6.716 1.00 2.32 O ATOM 36 CB GLN A 3 -16.090 -9.071 7.897 1.00 71.11 C ATOM 37 CG GLN A 3 -17.002 -9.379 9.083 1.00 72.12 C ATOM 38 CD GLN A 3 -16.273 -9.380 10.419 1.00 30.21 C ATOM 39 OE1 GLN A 3 -16.196 -8.361 11.101 1.00 53.53 O ATOM 40 NE2 GLN A 3 -15.730 -10.518 10.799 1.00 10.42 N ATOM 0 H GLN A 3 -17.153 -6.851 8.280 1.00 54.31 H new ATOM 0 HA GLN A 3 -14.628 -7.868 8.916 1.00 53.23 H new ATOM 0 HB2 GLN A 3 -16.698 -9.003 6.995 1.00 71.11 H new ATOM 0 HB3 GLN A 3 -15.403 -9.905 7.756 1.00 71.11 H new ATOM 0 HG2 GLN A 3 -17.805 -8.643 9.116 1.00 72.12 H new ATOM 0 HG3 GLN A 3 -17.468 -10.352 8.931 1.00 72.12 H new ATOM 0 HE21 GLN A 3 -15.813 -11.345 10.208 1.00 10.42 H new ATOM 0 HE22 GLN A 3 -15.226 -10.572 11.684 1.00 10.42 H new ATOM 49 N PHE A 4 -14.890 -6.786 5.844 1.00 61.44 N ATOM 50 CA PHE A 4 -14.095 -6.391 4.674 1.00 72.32 C ATOM 51 C PHE A 4 -12.808 -5.677 5.110 1.00 42.15 C ATOM 52 O PHE A 4 -11.708 -6.037 4.687 1.00 11.22 O ATOM 53 CB PHE A 4 -14.923 -5.481 3.748 1.00 14.43 C ATOM 54 CG PHE A 4 -14.114 -4.839 2.642 1.00 64.33 C ATOM 55 CD1 PHE A 4 -13.597 -5.604 1.606 1.00 4.20 C ATOM 56 CD2 PHE A 4 -13.865 -3.472 2.646 1.00 12.11 C ATOM 57 CE1 PHE A 4 -12.850 -5.020 0.601 1.00 45.53 C ATOM 58 CE2 PHE A 4 -13.119 -2.885 1.641 1.00 62.50 C ATOM 59 CZ PHE A 4 -12.610 -3.660 0.618 1.00 1.24 C ATOM 0 H PHE A 4 -15.839 -6.412 5.851 1.00 61.44 H new ATOM 0 HA PHE A 4 -13.820 -7.292 4.125 1.00 72.32 H new ATOM 0 HB2 PHE A 4 -15.728 -6.066 3.304 1.00 14.43 H new ATOM 0 HB3 PHE A 4 -15.390 -4.698 4.346 1.00 14.43 H new ATOM 0 HD1 PHE A 4 -13.781 -6.668 1.585 1.00 4.20 H new ATOM 0 HD2 PHE A 4 -14.259 -2.860 3.444 1.00 12.11 H new ATOM 0 HE1 PHE A 4 -12.453 -5.628 -0.199 1.00 45.53 H new ATOM 0 HE2 PHE A 4 -12.934 -1.821 1.656 1.00 62.50 H new ATOM 0 HZ PHE A 4 -12.025 -3.204 -0.167 1.00 1.24 H new ATOM 69 N LEU A 5 -12.963 -4.679 5.976 1.00 73.14 N ATOM 70 CA LEU A 5 -11.829 -3.913 6.499 1.00 65.03 C ATOM 71 C LEU A 5 -10.907 -4.806 7.343 1.00 12.01 C ATOM 72 O LEU A 5 -9.686 -4.768 7.202 1.00 33.23 O ATOM 73 CB LEU A 5 -12.342 -2.737 7.341 1.00 43.12 C ATOM 74 CG LEU A 5 -13.294 -1.776 6.613 1.00 52.31 C ATOM 75 CD1 LEU A 5 -13.818 -0.710 7.572 1.00 10.41 C ATOM 76 CD2 LEU A 5 -12.599 -1.131 5.415 1.00 41.43 C ATOM 0 H LEU A 5 -13.869 -4.378 6.334 1.00 73.14 H new ATOM 0 HA LEU A 5 -11.252 -3.529 5.658 1.00 65.03 H new ATOM 0 HB2 LEU A 5 -12.854 -3.135 8.217 1.00 43.12 H new ATOM 0 HB3 LEU A 5 -11.485 -2.169 7.703 1.00 43.12 H new ATOM 0 HG LEU A 5 -14.143 -2.351 6.244 1.00 52.31 H new ATOM 0 HD11 LEU A 5 -14.491 -0.039 7.038 1.00 10.41 H new ATOM 0 HD12 LEU A 5 -14.357 -1.189 8.389 1.00 10.41 H new ATOM 0 HD13 LEU A 5 -12.981 -0.140 7.975 1.00 10.41 H new ATOM 0 HD21 LEU A 5 -13.291 -0.454 4.914 1.00 41.43 H new ATOM 0 HD22 LEU A 5 -11.728 -0.572 5.757 1.00 41.43 H new ATOM 0 HD23 LEU A 5 -12.281 -1.906 4.718 1.00 41.43 H new ATOM 88 N VAL A 6 -11.510 -5.621 8.206 1.00 32.13 N ATOM 89 CA VAL A 6 -10.757 -6.527 9.080 1.00 2.24 C ATOM 90 C VAL A 6 -9.849 -7.473 8.271 1.00 5.13 C ATOM 91 O VAL A 6 -8.659 -7.604 8.558 1.00 21.53 O ATOM 92 CB VAL A 6 -11.710 -7.370 9.966 1.00 14.32 C ATOM 93 CG1 VAL A 6 -10.920 -8.287 10.894 1.00 62.10 C ATOM 94 CG2 VAL A 6 -12.646 -6.466 10.764 1.00 64.03 C ATOM 0 H VAL A 6 -12.522 -5.675 8.321 1.00 32.13 H new ATOM 0 HA VAL A 6 -10.132 -5.901 9.717 1.00 2.24 H new ATOM 0 HB VAL A 6 -12.317 -7.995 9.311 1.00 14.32 H new ATOM 0 HG11 VAL A 6 -11.610 -8.868 11.505 1.00 62.10 H new ATOM 0 HG12 VAL A 6 -10.304 -8.963 10.300 1.00 62.10 H new ATOM 0 HG13 VAL A 6 -10.280 -7.687 11.540 1.00 62.10 H new ATOM 0 HG21 VAL A 6 -13.306 -7.078 11.379 1.00 64.03 H new ATOM 0 HG22 VAL A 6 -12.058 -5.809 11.405 1.00 64.03 H new ATOM 0 HG23 VAL A 6 -13.243 -5.865 10.078 1.00 64.03 H new ATOM 104 N GLN A 7 -10.422 -8.117 7.252 1.00 4.31 N ATOM 105 CA GLN A 7 -9.684 -9.080 6.424 1.00 2.22 C ATOM 106 C GLN A 7 -8.511 -8.431 5.669 1.00 43.44 C ATOM 107 O GLN A 7 -7.377 -8.906 5.750 1.00 33.11 O ATOM 108 CB GLN A 7 -10.633 -9.757 5.424 1.00 33.42 C ATOM 109 CG GLN A 7 -11.676 -10.662 6.071 1.00 53.42 C ATOM 110 CD GLN A 7 -11.057 -11.839 6.807 1.00 73.51 C ATOM 111 OE1 GLN A 7 -10.816 -12.890 6.223 1.00 54.55 O ATOM 112 NE2 GLN A 7 -10.811 -11.684 8.092 1.00 70.35 N ATOM 0 H GLN A 7 -11.396 -7.990 6.978 1.00 4.31 H new ATOM 0 HA GLN A 7 -9.265 -9.825 7.101 1.00 2.22 H new ATOM 0 HB2 GLN A 7 -11.144 -8.987 4.846 1.00 33.42 H new ATOM 0 HB3 GLN A 7 -10.043 -10.345 4.721 1.00 33.42 H new ATOM 0 HG2 GLN A 7 -12.276 -10.077 6.769 1.00 53.42 H new ATOM 0 HG3 GLN A 7 -12.354 -11.035 5.303 1.00 53.42 H new ATOM 0 HE21 GLN A 7 -11.023 -10.797 8.548 1.00 70.35 H new ATOM 0 HE22 GLN A 7 -10.409 -12.451 8.630 1.00 70.35 H new ATOM 121 N ILE A 8 -8.785 -7.348 4.934 1.00 61.13 N ATOM 122 CA ILE A 8 -7.745 -6.685 4.133 1.00 40.43 C ATOM 123 C ILE A 8 -6.590 -6.168 5.012 1.00 22.52 C ATOM 124 O ILE A 8 -5.418 -6.358 4.681 1.00 60.15 O ATOM 125 CB ILE A 8 -8.322 -5.525 3.273 1.00 72.14 C ATOM 126 CG1 ILE A 8 -8.993 -4.457 4.157 1.00 34.11 C ATOM 127 CG2 ILE A 8 -9.310 -6.069 2.241 1.00 42.12 C ATOM 128 CD1 ILE A 8 -9.603 -3.304 3.385 1.00 2.54 C ATOM 0 H ILE A 8 -9.706 -6.914 4.876 1.00 61.13 H new ATOM 0 HA ILE A 8 -7.350 -7.443 3.457 1.00 40.43 H new ATOM 0 HB ILE A 8 -7.494 -5.049 2.747 1.00 72.14 H new ATOM 0 HG12 ILE A 8 -9.772 -4.932 4.753 1.00 34.11 H new ATOM 0 HG13 ILE A 8 -8.254 -4.062 4.854 1.00 34.11 H new ATOM 0 HG21 ILE A 8 -9.706 -5.245 1.647 1.00 42.12 H new ATOM 0 HG22 ILE A 8 -8.800 -6.777 1.587 1.00 42.12 H new ATOM 0 HG23 ILE A 8 -10.130 -6.574 2.753 1.00 42.12 H new ATOM 0 HD11 ILE A 8 -10.054 -2.598 4.082 1.00 2.54 H new ATOM 0 HD12 ILE A 8 -8.826 -2.800 2.810 1.00 2.54 H new ATOM 0 HD13 ILE A 8 -10.368 -3.684 2.707 1.00 2.54 H new ATOM 140 N PHE A 9 -6.922 -5.539 6.143 1.00 74.53 N ATOM 141 CA PHE A 9 -5.903 -5.062 7.088 1.00 54.54 C ATOM 142 C PHE A 9 -5.099 -6.240 7.665 1.00 13.13 C ATOM 143 O PHE A 9 -3.865 -6.190 7.757 1.00 55.25 O ATOM 144 CB PHE A 9 -6.551 -4.258 8.230 1.00 44.23 C ATOM 145 CG PHE A 9 -7.299 -3.017 7.788 1.00 30.43 C ATOM 146 CD1 PHE A 9 -7.096 -2.463 6.529 1.00 32.30 C ATOM 147 CD2 PHE A 9 -8.203 -2.401 8.644 1.00 11.41 C ATOM 148 CE1 PHE A 9 -7.778 -1.326 6.139 1.00 43.22 C ATOM 149 CE2 PHE A 9 -8.885 -1.263 8.255 1.00 1.32 C ATOM 150 CZ PHE A 9 -8.672 -0.726 7.002 1.00 12.35 C ATOM 0 H PHE A 9 -7.883 -5.348 6.427 1.00 74.53 H new ATOM 0 HA PHE A 9 -5.222 -4.408 6.543 1.00 54.54 H new ATOM 0 HB2 PHE A 9 -7.241 -4.909 8.768 1.00 44.23 H new ATOM 0 HB3 PHE A 9 -5.774 -3.965 8.936 1.00 44.23 H new ATOM 0 HD1 PHE A 9 -6.397 -2.926 5.848 1.00 32.30 H new ATOM 0 HD2 PHE A 9 -8.375 -2.816 9.626 1.00 11.41 H new ATOM 0 HE1 PHE A 9 -7.611 -0.907 5.158 1.00 43.22 H new ATOM 0 HE2 PHE A 9 -9.584 -0.795 8.932 1.00 1.32 H new ATOM 0 HZ PHE A 9 -9.204 0.163 6.697 1.00 12.35 H new ATOM 160 N ALA A 10 -5.809 -7.310 8.031 1.00 12.32 N ATOM 161 CA ALA A 10 -5.180 -8.517 8.576 1.00 44.42 C ATOM 162 C ALA A 10 -4.116 -9.087 7.629 1.00 62.12 C ATOM 163 O ALA A 10 -3.146 -9.693 8.076 1.00 5.25 O ATOM 164 CB ALA A 10 -6.234 -9.575 8.876 1.00 42.10 C ATOM 0 H ALA A 10 -6.825 -7.365 7.959 1.00 12.32 H new ATOM 0 HA ALA A 10 -4.680 -8.233 9.502 1.00 44.42 H new ATOM 0 HB1 ALA A 10 -5.751 -10.465 9.280 1.00 42.10 H new ATOM 0 HB2 ALA A 10 -6.944 -9.185 9.605 1.00 42.10 H new ATOM 0 HB3 ALA A 10 -6.762 -9.833 7.958 1.00 42.10 H new ATOM 170 N VAL A 11 -4.306 -8.892 6.322 1.00 60.52 N ATOM 171 CA VAL A 11 -3.324 -9.324 5.318 1.00 63.12 C ATOM 172 C VAL A 11 -2.108 -8.383 5.279 1.00 13.11 C ATOM 173 O VAL A 11 -0.960 -8.830 5.198 1.00 42.04 O ATOM 174 CB VAL A 11 -3.959 -9.393 3.903 1.00 25.32 C ATOM 175 CG1 VAL A 11 -2.935 -9.850 2.864 1.00 52.32 C ATOM 176 CG2 VAL A 11 -5.179 -10.313 3.898 1.00 51.31 C ATOM 0 H VAL A 11 -5.131 -8.437 5.931 1.00 60.52 H new ATOM 0 HA VAL A 11 -2.992 -10.320 5.611 1.00 63.12 H new ATOM 0 HB VAL A 11 -4.288 -8.389 3.635 1.00 25.32 H new ATOM 0 HG11 VAL A 11 -3.406 -9.890 1.882 1.00 52.32 H new ATOM 0 HG12 VAL A 11 -2.103 -9.146 2.839 1.00 52.32 H new ATOM 0 HG13 VAL A 11 -2.565 -10.840 3.129 1.00 52.32 H new ATOM 0 HG21 VAL A 11 -5.606 -10.345 2.896 1.00 51.31 H new ATOM 0 HG22 VAL A 11 -4.879 -11.317 4.197 1.00 51.31 H new ATOM 0 HG23 VAL A 11 -5.924 -9.934 4.598 1.00 51.31 H new ATOM 186 N ILE A 12 -2.369 -7.079 5.361 1.00 72.11 N ATOM 187 CA ILE A 12 -1.313 -6.057 5.293 1.00 51.12 C ATOM 188 C ILE A 12 -0.237 -6.257 6.380 1.00 61.44 C ATOM 189 O ILE A 12 0.946 -6.003 6.149 1.00 50.15 O ATOM 190 CB ILE A 12 -1.912 -4.634 5.424 1.00 15.44 C ATOM 191 CG1 ILE A 12 -2.960 -4.391 4.324 1.00 34.00 C ATOM 192 CG2 ILE A 12 -0.812 -3.572 5.367 1.00 63.14 C ATOM 193 CD1 ILE A 12 -3.680 -3.064 4.444 1.00 22.04 C ATOM 0 H ILE A 12 -3.308 -6.699 5.476 1.00 72.11 H new ATOM 0 HA ILE A 12 -0.838 -6.167 4.318 1.00 51.12 H new ATOM 0 HB ILE A 12 -2.404 -4.557 6.394 1.00 15.44 H new ATOM 0 HG12 ILE A 12 -2.470 -4.441 3.352 1.00 34.00 H new ATOM 0 HG13 ILE A 12 -3.695 -5.196 4.352 1.00 34.00 H new ATOM 0 HG21 ILE A 12 -1.257 -2.582 5.461 1.00 63.14 H new ATOM 0 HG22 ILE A 12 -0.109 -3.733 6.184 1.00 63.14 H new ATOM 0 HG23 ILE A 12 -0.285 -3.644 4.415 1.00 63.14 H new ATOM 0 HD11 ILE A 12 -4.402 -2.967 3.633 1.00 22.04 H new ATOM 0 HD12 ILE A 12 -4.200 -3.018 5.401 1.00 22.04 H new ATOM 0 HD13 ILE A 12 -2.957 -2.251 4.385 1.00 22.04 H new ATOM 205 N HIS A 13 -0.650 -6.723 7.560 1.00 41.13 N ATOM 206 CA HIS A 13 0.289 -6.954 8.678 1.00 22.34 C ATOM 207 C HIS A 13 1.416 -7.965 8.345 1.00 52.45 C ATOM 208 O HIS A 13 2.355 -8.126 9.128 1.00 21.00 O ATOM 209 CB HIS A 13 -0.465 -7.408 9.940 1.00 22.14 C ATOM 210 CG HIS A 13 -1.253 -6.311 10.593 1.00 74.34 C ATOM 211 ND1 HIS A 13 -0.636 -5.342 11.351 1.00 35.01 N ATOM 212 CD2 HIS A 13 -2.586 -6.070 10.572 1.00 73.31 C ATOM 213 CE1 HIS A 13 -1.597 -4.539 11.766 1.00 13.42 C ATOM 214 NE2 HIS A 13 -2.795 -4.940 11.322 1.00 55.13 N ATOM 0 H HIS A 13 -1.621 -6.949 7.773 1.00 41.13 H new ATOM 0 HA HIS A 13 0.772 -5.994 8.861 1.00 22.34 H new ATOM 0 HB2 HIS A 13 -1.140 -8.223 9.677 1.00 22.14 H new ATOM 0 HB3 HIS A 13 0.252 -7.807 10.658 1.00 22.14 H new ATOM 0 HD2 HIS A 13 -3.339 -6.654 10.063 1.00 73.31 H new ATOM 0 HE1 HIS A 13 -1.438 -3.669 12.385 1.00 13.42 H new ATOM 0 HE2 HIS A 13 -3.692 -4.491 11.506 1.00 55.13 H new ATOM 222 N GLN A 14 1.325 -8.653 7.203 1.00 64.11 N ATOM 223 CA GLN A 14 2.373 -9.607 6.785 1.00 21.25 C ATOM 224 C GLN A 14 3.433 -8.959 5.875 1.00 11.14 C ATOM 225 O GLN A 14 4.398 -9.615 5.477 1.00 63.34 O ATOM 226 CB GLN A 14 1.753 -10.828 6.074 1.00 41.40 C ATOM 227 CG GLN A 14 1.220 -11.901 7.019 1.00 33.03 C ATOM 228 CD GLN A 14 0.104 -11.407 7.924 1.00 11.24 C ATOM 229 OE1 GLN A 14 -0.032 -11.845 9.062 1.00 54.22 O ATOM 230 NE2 GLN A 14 -0.724 -10.517 7.422 1.00 4.33 N ATOM 0 H GLN A 14 0.545 -8.573 6.551 1.00 64.11 H new ATOM 0 HA GLN A 14 2.874 -9.933 7.696 1.00 21.25 H new ATOM 0 HB2 GLN A 14 0.939 -10.487 5.435 1.00 41.40 H new ATOM 0 HB3 GLN A 14 2.504 -11.275 5.423 1.00 41.40 H new ATOM 0 HG2 GLN A 14 0.855 -12.744 6.431 1.00 33.03 H new ATOM 0 HG3 GLN A 14 2.039 -12.272 7.634 1.00 33.03 H new ATOM 0 HE21 GLN A 14 -0.586 -10.171 6.473 1.00 4.33 H new ATOM 0 HE22 GLN A 14 -1.504 -10.173 7.982 1.00 4.33 H new ATOM 239 N ILE A 15 3.257 -7.681 5.547 1.00 52.42 N ATOM 240 CA ILE A 15 4.210 -6.971 4.688 1.00 10.24 C ATOM 241 C ILE A 15 5.394 -6.416 5.508 1.00 51.13 C ATOM 242 O ILE A 15 5.201 -5.601 6.417 1.00 53.23 O ATOM 243 CB ILE A 15 3.526 -5.809 3.923 1.00 25.23 C ATOM 244 CG1 ILE A 15 2.280 -6.314 3.177 1.00 42.22 C ATOM 245 CG2 ILE A 15 4.511 -5.162 2.946 1.00 14.51 C ATOM 246 CD1 ILE A 15 1.519 -5.228 2.439 1.00 22.32 C ATOM 0 H ILE A 15 2.468 -7.115 5.860 1.00 52.42 H new ATOM 0 HA ILE A 15 4.586 -7.695 3.965 1.00 10.24 H new ATOM 0 HB ILE A 15 3.211 -5.057 4.646 1.00 25.23 H new ATOM 0 HG12 ILE A 15 2.582 -7.080 2.463 1.00 42.22 H new ATOM 0 HG13 ILE A 15 1.610 -6.791 3.892 1.00 42.22 H new ATOM 0 HG21 ILE A 15 4.016 -4.348 2.416 1.00 14.51 H new ATOM 0 HG22 ILE A 15 5.366 -4.770 3.497 1.00 14.51 H new ATOM 0 HG23 ILE A 15 4.853 -5.907 2.228 1.00 14.51 H new ATOM 0 HD11 ILE A 15 0.655 -5.665 1.939 1.00 22.32 H new ATOM 0 HD12 ILE A 15 1.184 -4.472 3.149 1.00 22.32 H new ATOM 0 HD13 ILE A 15 2.171 -4.766 1.698 1.00 22.32 H new ATOM 258 N PRO A 16 6.633 -6.860 5.204 1.00 32.30 N ATOM 259 CA PRO A 16 7.849 -6.425 5.917 1.00 32.43 C ATOM 260 C PRO A 16 8.344 -5.031 5.492 1.00 62.22 C ATOM 261 O PRO A 16 7.863 -4.457 4.512 1.00 11.12 O ATOM 262 CB PRO A 16 8.895 -7.501 5.544 1.00 12.51 C ATOM 263 CG PRO A 16 8.158 -8.531 4.741 1.00 65.42 C ATOM 264 CD PRO A 16 6.960 -7.837 4.162 1.00 73.50 C ATOM 0 HA PRO A 16 7.663 -6.334 6.987 1.00 32.43 H new ATOM 0 HB2 PRO A 16 9.712 -7.068 4.967 1.00 12.51 H new ATOM 0 HB3 PRO A 16 9.335 -7.944 6.437 1.00 12.51 H new ATOM 0 HG2 PRO A 16 8.792 -8.935 3.952 1.00 65.42 H new ATOM 0 HG3 PRO A 16 7.856 -9.370 5.368 1.00 65.42 H new ATOM 0 HD2 PRO A 16 7.188 -7.356 3.211 1.00 73.50 H new ATOM 0 HD3 PRO A 16 6.137 -8.529 3.980 1.00 73.50 H new ATOM 272 N LYS A 17 9.327 -4.504 6.226 1.00 72.22 N ATOM 273 CA LYS A 17 9.874 -3.172 5.942 1.00 4.41 C ATOM 274 C LYS A 17 10.639 -3.139 4.609 1.00 42.45 C ATOM 275 O LYS A 17 11.444 -4.025 4.311 1.00 52.24 O ATOM 276 CB LYS A 17 10.788 -2.703 7.089 1.00 2.33 C ATOM 277 CG LYS A 17 11.379 -1.315 6.857 1.00 2.12 C ATOM 278 CD LYS A 17 12.168 -0.810 8.060 1.00 15.10 C ATOM 279 CE LYS A 17 12.724 0.591 7.815 1.00 64.15 C ATOM 280 NZ LYS A 17 13.687 0.620 6.682 1.00 54.13 N ATOM 0 H LYS A 17 9.760 -4.976 7.019 1.00 72.22 H new ATOM 0 HA LYS A 17 9.029 -2.488 5.858 1.00 4.41 H new ATOM 0 HB2 LYS A 17 10.220 -2.698 8.019 1.00 2.33 H new ATOM 0 HB3 LYS A 17 11.599 -3.420 7.215 1.00 2.33 H new ATOM 0 HG2 LYS A 17 12.031 -1.342 5.984 1.00 2.12 H new ATOM 0 HG3 LYS A 17 10.575 -0.614 6.633 1.00 2.12 H new ATOM 0 HD2 LYS A 17 11.525 -0.799 8.940 1.00 15.10 H new ATOM 0 HD3 LYS A 17 12.988 -1.496 8.273 1.00 15.10 H new ATOM 0 HE2 LYS A 17 11.902 1.276 7.609 1.00 64.15 H new ATOM 0 HE3 LYS A 17 13.217 0.948 8.719 1.00 64.15 H new ATOM 0 HZ1 LYS A 17 14.165 1.543 6.657 1.00 54.13 H new ATOM 0 HZ2 LYS A 17 14.393 -0.133 6.808 1.00 54.13 H new ATOM 0 HZ3 LYS A 17 13.176 0.470 5.788 1.00 54.13 H new ATOM 294 N GLY A 18 10.370 -2.113 3.805 1.00 71.13 N ATOM 295 CA GLY A 18 11.048 -1.951 2.521 1.00 61.34 C ATOM 296 C GLY A 18 10.389 -2.728 1.384 1.00 11.31 C ATOM 297 O GLY A 18 10.930 -2.800 0.278 1.00 4.25 O ATOM 0 H GLY A 18 9.690 -1.384 4.019 1.00 71.13 H new ATOM 0 HA2 GLY A 18 11.071 -0.892 2.262 1.00 61.34 H new ATOM 0 HA3 GLY A 18 12.083 -2.277 2.622 1.00 61.34 H new ATOM 301 N LYS A 19 9.225 -3.319 1.656 1.00 33.34 N ATOM 302 CA LYS A 19 8.471 -4.068 0.642 1.00 5.52 C ATOM 303 C LYS A 19 7.044 -3.515 0.492 1.00 44.52 C ATOM 304 O LYS A 19 6.435 -3.063 1.462 1.00 51.22 O ATOM 305 CB LYS A 19 8.417 -5.565 1.002 1.00 72.01 C ATOM 306 CG LYS A 19 9.783 -6.256 1.038 1.00 63.03 C ATOM 307 CD LYS A 19 10.502 -6.178 -0.310 1.00 20.42 C ATOM 308 CE LYS A 19 11.762 -7.045 -0.336 1.00 14.45 C ATOM 309 NZ LYS A 19 12.741 -6.656 0.714 1.00 21.10 N ATOM 0 H LYS A 19 8.780 -3.295 2.573 1.00 33.34 H new ATOM 0 HA LYS A 19 8.989 -3.950 -0.310 1.00 5.52 H new ATOM 0 HB2 LYS A 19 7.942 -5.675 1.977 1.00 72.01 H new ATOM 0 HB3 LYS A 19 7.783 -6.078 0.279 1.00 72.01 H new ATOM 0 HG2 LYS A 19 10.403 -5.794 1.806 1.00 63.03 H new ATOM 0 HG3 LYS A 19 9.653 -7.301 1.319 1.00 63.03 H new ATOM 0 HD2 LYS A 19 9.825 -6.498 -1.102 1.00 20.42 H new ATOM 0 HD3 LYS A 19 10.770 -5.142 -0.519 1.00 20.42 H new ATOM 0 HE2 LYS A 19 11.483 -8.090 -0.200 1.00 14.45 H new ATOM 0 HE3 LYS A 19 12.234 -6.966 -1.316 1.00 14.45 H new ATOM 0 HZ1 LYS A 19 13.604 -7.227 0.612 1.00 21.10 H new ATOM 0 HZ2 LYS A 19 12.978 -5.649 0.612 1.00 21.10 H new ATOM 0 HZ3 LYS A 19 12.326 -6.820 1.653 1.00 21.10 H new ATOM 323 N VAL A 20 6.523 -3.549 -0.731 1.00 60.53 N ATOM 324 CA VAL A 20 5.166 -3.076 -1.022 1.00 73.25 C ATOM 325 C VAL A 20 4.398 -4.082 -1.891 1.00 44.24 C ATOM 326 O VAL A 20 4.996 -4.875 -2.624 1.00 73.24 O ATOM 327 CB VAL A 20 5.179 -1.697 -1.739 1.00 20.11 C ATOM 328 CG1 VAL A 20 5.800 -0.623 -0.849 1.00 62.30 C ATOM 329 CG2 VAL A 20 5.910 -1.784 -3.078 1.00 21.32 C ATOM 0 H VAL A 20 7.023 -3.902 -1.547 1.00 60.53 H new ATOM 0 HA VAL A 20 4.663 -2.971 -0.061 1.00 73.25 H new ATOM 0 HB VAL A 20 4.145 -1.413 -1.937 1.00 20.11 H new ATOM 0 HG11 VAL A 20 5.797 0.332 -1.375 1.00 62.30 H new ATOM 0 HG12 VAL A 20 5.221 -0.533 0.070 1.00 62.30 H new ATOM 0 HG13 VAL A 20 6.826 -0.900 -0.606 1.00 62.30 H new ATOM 0 HG21 VAL A 20 5.905 -0.806 -3.560 1.00 21.32 H new ATOM 0 HG22 VAL A 20 6.939 -2.101 -2.911 1.00 21.32 H new ATOM 0 HG23 VAL A 20 5.408 -2.507 -3.720 1.00 21.32 H new ATOM 339 N SER A 21 3.074 -4.050 -1.803 1.00 61.21 N ATOM 340 CA SER A 21 2.217 -4.921 -2.620 1.00 75.11 C ATOM 341 C SER A 21 1.064 -4.128 -3.246 1.00 15.14 C ATOM 342 O SER A 21 0.839 -2.962 -2.914 1.00 43.03 O ATOM 343 CB SER A 21 1.653 -6.071 -1.775 1.00 14.43 C ATOM 344 OG SER A 21 0.820 -5.589 -0.733 1.00 11.52 O ATOM 0 H SER A 21 2.563 -3.431 -1.174 1.00 61.21 H new ATOM 0 HA SER A 21 2.832 -5.334 -3.420 1.00 75.11 H new ATOM 0 HB2 SER A 21 1.085 -6.748 -2.413 1.00 14.43 H new ATOM 0 HB3 SER A 21 2.474 -6.648 -1.349 1.00 14.43 H new ATOM 0 HG SER A 21 -0.066 -5.378 -1.094 1.00 11.52 H new ATOM 350 N THR A 22 0.335 -4.763 -4.156 1.00 52.32 N ATOM 351 CA THR A 22 -0.798 -4.113 -4.829 1.00 73.42 C ATOM 352 C THR A 22 -2.136 -4.499 -4.192 1.00 61.31 C ATOM 353 O THR A 22 -2.282 -5.586 -3.623 1.00 52.22 O ATOM 354 CB THR A 22 -0.849 -4.471 -6.333 1.00 65.33 C ATOM 355 OG1 THR A 22 -1.096 -5.875 -6.502 1.00 52.41 O ATOM 356 CG2 THR A 22 0.453 -4.092 -7.031 1.00 14.42 C ATOM 0 H THR A 22 0.503 -5.726 -4.449 1.00 52.32 H new ATOM 0 HA THR A 22 -0.641 -3.040 -4.715 1.00 73.42 H new ATOM 0 HB THR A 22 -1.663 -3.904 -6.785 1.00 65.33 H new ATOM 0 HG1 THR A 22 -0.314 -6.383 -6.202 1.00 52.41 H new ATOM 0 HG21 THR A 22 0.390 -4.355 -8.087 1.00 14.42 H new ATOM 0 HG22 THR A 22 0.619 -3.019 -6.933 1.00 14.42 H new ATOM 0 HG23 THR A 22 1.282 -4.631 -6.572 1.00 14.42 H new ATOM 364 N TYR A 23 -3.118 -3.603 -4.299 1.00 12.25 N ATOM 365 CA TYR A 23 -4.468 -3.851 -3.772 1.00 45.33 C ATOM 366 C TYR A 23 -5.077 -5.151 -4.326 1.00 75.24 C ATOM 367 O TYR A 23 -5.830 -5.835 -3.633 1.00 74.53 O ATOM 368 CB TYR A 23 -5.388 -2.668 -4.089 1.00 25.25 C ATOM 369 CG TYR A 23 -4.982 -1.385 -3.395 1.00 72.31 C ATOM 370 CD1 TYR A 23 -5.032 -1.286 -2.012 1.00 13.11 C ATOM 371 CD2 TYR A 23 -4.531 -0.284 -4.114 1.00 32.33 C ATOM 372 CE1 TYR A 23 -4.653 -0.133 -1.363 1.00 12.03 C ATOM 373 CE2 TYR A 23 -4.145 0.874 -3.469 1.00 73.14 C ATOM 374 CZ TYR A 23 -4.207 0.945 -2.093 1.00 23.32 C ATOM 375 OH TYR A 23 -3.816 2.095 -1.442 1.00 15.15 O ATOM 0 H TYR A 23 -3.006 -2.694 -4.747 1.00 12.25 H new ATOM 0 HA TYR A 23 -4.377 -3.963 -2.692 1.00 45.33 H new ATOM 0 HB2 TYR A 23 -5.396 -2.502 -5.166 1.00 25.25 H new ATOM 0 HB3 TYR A 23 -6.407 -2.922 -3.798 1.00 25.25 H new ATOM 0 HD1 TYR A 23 -5.375 -2.131 -1.433 1.00 13.11 H new ATOM 0 HD2 TYR A 23 -4.482 -0.335 -5.192 1.00 32.33 H new ATOM 0 HE1 TYR A 23 -4.705 -0.074 -0.286 1.00 12.03 H new ATOM 0 HE2 TYR A 23 -3.796 1.722 -4.040 1.00 73.14 H new ATOM 0 HH TYR A 23 -4.325 2.189 -0.610 1.00 15.15 H new ATOM 385 N GLY A 24 -4.747 -5.483 -5.577 1.00 24.30 N ATOM 386 CA GLY A 24 -5.222 -6.729 -6.175 1.00 33.25 C ATOM 387 C GLY A 24 -4.749 -7.968 -5.415 1.00 73.11 C ATOM 388 O GLY A 24 -5.492 -8.941 -5.263 1.00 23.42 O ATOM 0 H GLY A 24 -4.160 -4.913 -6.187 1.00 24.30 H new ATOM 0 HA2 GLY A 24 -6.312 -6.720 -6.205 1.00 33.25 H new ATOM 0 HA3 GLY A 24 -4.876 -6.787 -7.207 1.00 33.25 H new ATOM 392 N GLU A 25 -3.506 -7.924 -4.931 1.00 45.24 N ATOM 393 CA GLU A 25 -2.929 -9.027 -4.154 1.00 1.11 C ATOM 394 C GLU A 25 -3.569 -9.122 -2.757 1.00 25.42 C ATOM 395 O GLU A 25 -4.038 -10.187 -2.347 1.00 22.14 O ATOM 396 CB GLU A 25 -1.403 -8.843 -4.035 1.00 24.44 C ATOM 397 CG GLU A 25 -0.685 -8.853 -5.383 1.00 71.01 C ATOM 398 CD GLU A 25 0.806 -8.563 -5.275 1.00 30.45 C ATOM 399 OE1 GLU A 25 1.597 -9.521 -5.123 1.00 41.01 O ATOM 400 OE2 GLU A 25 1.190 -7.376 -5.356 1.00 11.03 O ATOM 0 H GLU A 25 -2.876 -7.133 -5.063 1.00 45.24 H new ATOM 0 HA GLU A 25 -3.137 -9.960 -4.678 1.00 1.11 H new ATOM 0 HB2 GLU A 25 -1.196 -7.900 -3.528 1.00 24.44 H new ATOM 0 HB3 GLU A 25 -0.996 -9.637 -3.409 1.00 24.44 H new ATOM 0 HG2 GLU A 25 -0.825 -9.826 -5.854 1.00 71.01 H new ATOM 0 HG3 GLU A 25 -1.145 -8.113 -6.037 1.00 71.01 H new ATOM 407 N ILE A 26 -3.601 -7.996 -2.043 1.00 52.03 N ATOM 408 CA ILE A 26 -4.190 -7.935 -0.697 1.00 31.52 C ATOM 409 C ILE A 26 -5.671 -8.366 -0.699 1.00 33.21 C ATOM 410 O ILE A 26 -6.086 -9.210 0.100 1.00 70.24 O ATOM 411 CB ILE A 26 -4.070 -6.505 -0.100 1.00 11.14 C ATOM 412 CG1 ILE A 26 -2.592 -6.074 -0.015 1.00 70.12 C ATOM 413 CG2 ILE A 26 -4.735 -6.431 1.275 1.00 23.24 C ATOM 414 CD1 ILE A 26 -1.741 -6.949 0.886 1.00 25.20 C ATOM 0 H ILE A 26 -3.225 -7.107 -2.373 1.00 52.03 H new ATOM 0 HA ILE A 26 -3.628 -8.633 -0.077 1.00 31.52 H new ATOM 0 HB ILE A 26 -4.590 -5.815 -0.764 1.00 11.14 H new ATOM 0 HG12 ILE A 26 -2.165 -6.080 -1.018 1.00 70.12 H new ATOM 0 HG13 ILE A 26 -2.545 -5.046 0.345 1.00 70.12 H new ATOM 0 HG21 ILE A 26 -4.638 -5.421 1.672 1.00 23.24 H new ATOM 0 HG22 ILE A 26 -5.791 -6.685 1.183 1.00 23.24 H new ATOM 0 HG23 ILE A 26 -4.251 -7.135 1.952 1.00 23.24 H new ATOM 0 HD11 ILE A 26 -0.716 -6.578 0.890 1.00 25.20 H new ATOM 0 HD12 ILE A 26 -2.140 -6.924 1.900 1.00 25.20 H new ATOM 0 HD13 ILE A 26 -1.754 -7.974 0.516 1.00 25.20 H new ATOM 426 N ALA A 27 -6.457 -7.789 -1.608 1.00 54.15 N ATOM 427 CA ALA A 27 -7.881 -8.128 -1.730 1.00 5.11 C ATOM 428 C ALA A 27 -8.083 -9.621 -2.040 1.00 72.34 C ATOM 429 O ALA A 27 -8.969 -10.270 -1.477 1.00 30.42 O ATOM 430 CB ALA A 27 -8.534 -7.268 -2.807 1.00 34.22 C ATOM 0 H ALA A 27 -6.135 -7.085 -2.272 1.00 54.15 H new ATOM 0 HA ALA A 27 -8.358 -7.923 -0.771 1.00 5.11 H new ATOM 0 HB1 ALA A 27 -9.589 -7.527 -2.889 1.00 34.22 H new ATOM 0 HB2 ALA A 27 -8.439 -6.216 -2.540 1.00 34.22 H new ATOM 0 HB3 ALA A 27 -8.041 -7.446 -3.763 1.00 34.22 H new ATOM 436 N LYS A 28 -7.247 -10.165 -2.929 1.00 13.35 N ATOM 437 CA LYS A 28 -7.309 -11.590 -3.280 1.00 24.13 C ATOM 438 C LYS A 28 -7.077 -12.475 -2.041 1.00 32.41 C ATOM 439 O LYS A 28 -7.829 -13.416 -1.785 1.00 43.15 O ATOM 440 CB LYS A 28 -6.256 -11.918 -4.348 1.00 73.35 C ATOM 441 CG LYS A 28 -6.335 -13.352 -4.870 1.00 13.02 C ATOM 442 CD LYS A 28 -5.150 -13.727 -5.765 1.00 13.04 C ATOM 443 CE LYS A 28 -5.106 -12.933 -7.073 1.00 32.33 C ATOM 444 NZ LYS A 28 -4.708 -11.512 -6.872 1.00 74.41 N ATOM 0 H LYS A 28 -6.520 -9.643 -3.419 1.00 13.35 H new ATOM 0 HA LYS A 28 -8.304 -11.796 -3.674 1.00 24.13 H new ATOM 0 HB2 LYS A 28 -6.374 -11.229 -5.185 1.00 73.35 H new ATOM 0 HB3 LYS A 28 -5.263 -11.747 -3.931 1.00 73.35 H new ATOM 0 HG2 LYS A 28 -6.377 -14.039 -4.025 1.00 13.02 H new ATOM 0 HG3 LYS A 28 -7.261 -13.479 -5.430 1.00 13.02 H new ATOM 0 HD2 LYS A 28 -4.223 -13.562 -5.216 1.00 13.04 H new ATOM 0 HD3 LYS A 28 -5.200 -14.791 -5.995 1.00 13.04 H new ATOM 0 HE2 LYS A 28 -4.404 -13.409 -7.758 1.00 32.33 H new ATOM 0 HE3 LYS A 28 -6.087 -12.967 -7.547 1.00 32.33 H new ATOM 0 HZ1 LYS A 28 -4.018 -11.238 -7.601 1.00 74.41 H new ATOM 0 HZ2 LYS A 28 -5.548 -10.903 -6.944 1.00 74.41 H new ATOM 0 HZ3 LYS A 28 -4.279 -11.401 -5.931 1.00 74.41 H new ATOM 458 N MET A 29 -6.036 -12.150 -1.273 1.00 11.10 N ATOM 459 CA MET A 29 -5.695 -12.902 -0.057 1.00 31.01 C ATOM 460 C MET A 29 -6.769 -12.729 1.031 1.00 10.25 C ATOM 461 O MET A 29 -6.987 -13.620 1.858 1.00 34.31 O ATOM 462 CB MET A 29 -4.329 -12.443 0.477 1.00 52.31 C ATOM 463 CG MET A 29 -3.192 -12.596 -0.528 1.00 21.42 C ATOM 464 SD MET A 29 -1.604 -12.040 0.125 1.00 22.45 S ATOM 465 CE MET A 29 -0.574 -12.157 -1.339 1.00 73.01 C ATOM 0 H MET A 29 -5.410 -11.369 -1.470 1.00 11.10 H new ATOM 0 HA MET A 29 -5.648 -13.959 -0.317 1.00 31.01 H new ATOM 0 HB2 MET A 29 -4.399 -11.397 0.776 1.00 52.31 H new ATOM 0 HB3 MET A 29 -4.089 -13.015 1.373 1.00 52.31 H new ATOM 0 HG2 MET A 29 -3.112 -13.642 -0.823 1.00 21.42 H new ATOM 0 HG3 MET A 29 -3.429 -12.028 -1.428 1.00 21.42 H new ATOM 0 HE1 MET A 29 0.407 -11.730 -1.129 1.00 73.01 H new ATOM 0 HE2 MET A 29 -0.461 -13.204 -1.622 1.00 73.01 H new ATOM 0 HE3 MET A 29 -1.041 -11.609 -2.157 1.00 73.01 H new ATOM 475 N ALA A 30 -7.431 -11.573 1.028 1.00 31.13 N ATOM 476 CA ALA A 30 -8.493 -11.278 1.998 1.00 22.13 C ATOM 477 C ALA A 30 -9.816 -11.978 1.640 1.00 51.31 C ATOM 478 O ALA A 30 -10.685 -12.157 2.496 1.00 3.45 O ATOM 479 CB ALA A 30 -8.703 -9.770 2.098 1.00 63.21 C ATOM 0 H ALA A 30 -7.252 -10.820 0.363 1.00 31.13 H new ATOM 0 HA ALA A 30 -8.173 -11.666 2.965 1.00 22.13 H new ATOM 0 HB1 ALA A 30 -9.492 -9.560 2.820 1.00 63.21 H new ATOM 0 HB2 ALA A 30 -7.778 -9.295 2.424 1.00 63.21 H new ATOM 0 HB3 ALA A 30 -8.989 -9.377 1.122 1.00 63.21 H new ATOM 485 N GLY A 31 -9.965 -12.368 0.373 1.00 43.23 N ATOM 486 CA GLY A 31 -11.182 -13.048 -0.073 1.00 24.43 C ATOM 487 C GLY A 31 -12.218 -12.104 -0.681 1.00 22.22 C ATOM 488 O GLY A 31 -13.420 -12.365 -0.621 1.00 55.52 O ATOM 0 H GLY A 31 -9.266 -12.227 -0.356 1.00 43.23 H new ATOM 0 HA2 GLY A 31 -10.916 -13.806 -0.810 1.00 24.43 H new ATOM 0 HA3 GLY A 31 -11.629 -13.569 0.774 1.00 24.43 H new ATOM 492 N TYR A 32 -11.754 -10.999 -1.263 1.00 55.52 N ATOM 493 CA TYR A 32 -12.643 -10.032 -1.923 1.00 2.41 C ATOM 494 C TYR A 32 -12.122 -9.677 -3.327 1.00 11.33 C ATOM 495 O TYR A 32 -11.507 -8.627 -3.525 1.00 53.20 O ATOM 496 CB TYR A 32 -12.781 -8.759 -1.073 1.00 72.22 C ATOM 497 CG TYR A 32 -13.349 -9.000 0.315 1.00 15.30 C ATOM 498 CD1 TYR A 32 -12.519 -9.337 1.379 1.00 2.23 C ATOM 499 CD2 TYR A 32 -14.716 -8.888 0.560 1.00 23.54 C ATOM 500 CE1 TYR A 32 -13.033 -9.555 2.642 1.00 23.01 C ATOM 501 CE2 TYR A 32 -15.235 -9.104 1.823 1.00 42.33 C ATOM 502 CZ TYR A 32 -14.389 -9.437 2.858 1.00 3.35 C ATOM 503 OH TYR A 32 -14.902 -9.653 4.118 1.00 41.33 O ATOM 0 H TYR A 32 -10.766 -10.747 -1.293 1.00 55.52 H new ATOM 0 HA TYR A 32 -13.625 -10.494 -2.026 1.00 2.41 H new ATOM 0 HB2 TYR A 32 -11.801 -8.291 -0.977 1.00 72.22 H new ATOM 0 HB3 TYR A 32 -13.422 -8.051 -1.599 1.00 72.22 H new ATOM 0 HD1 TYR A 32 -11.456 -9.430 1.215 1.00 2.23 H new ATOM 0 HD2 TYR A 32 -15.381 -8.628 -0.250 1.00 23.54 H new ATOM 0 HE1 TYR A 32 -12.375 -9.817 3.457 1.00 23.01 H new ATOM 0 HE2 TYR A 32 -16.297 -9.012 1.997 1.00 42.33 H new ATOM 0 HH TYR A 32 -15.874 -9.529 4.101 1.00 41.33 H new ATOM 513 N PRO A 33 -12.355 -10.558 -4.321 1.00 12.13 N ATOM 514 CA PRO A 33 -11.847 -10.364 -5.692 1.00 34.44 C ATOM 515 C PRO A 33 -12.489 -9.162 -6.409 1.00 23.41 C ATOM 516 O PRO A 33 -13.693 -9.148 -6.673 1.00 55.14 O ATOM 517 CB PRO A 33 -12.212 -11.680 -6.398 1.00 43.50 C ATOM 518 CG PRO A 33 -13.367 -12.221 -5.622 1.00 4.21 C ATOM 519 CD PRO A 33 -13.132 -11.808 -4.192 1.00 72.53 C ATOM 0 HA PRO A 33 -10.780 -10.143 -5.697 1.00 34.44 H new ATOM 0 HB2 PRO A 33 -12.481 -11.508 -7.440 1.00 43.50 H new ATOM 0 HB3 PRO A 33 -11.373 -12.376 -6.396 1.00 43.50 H new ATOM 0 HG2 PRO A 33 -14.310 -11.821 -5.994 1.00 4.21 H new ATOM 0 HG3 PRO A 33 -13.424 -13.306 -5.711 1.00 4.21 H new ATOM 0 HD2 PRO A 33 -14.070 -11.645 -3.661 1.00 72.53 H new ATOM 0 HD3 PRO A 33 -12.581 -12.569 -3.639 1.00 72.53 H new ATOM 527 N GLY A 34 -11.678 -8.149 -6.717 1.00 52.20 N ATOM 528 CA GLY A 34 -12.178 -6.972 -7.424 1.00 45.13 C ATOM 529 C GLY A 34 -12.298 -5.732 -6.540 1.00 45.25 C ATOM 530 O GLY A 34 -12.411 -4.617 -7.045 1.00 22.35 O ATOM 0 H GLY A 34 -10.684 -8.120 -6.491 1.00 52.20 H new ATOM 0 HA2 GLY A 34 -11.513 -6.750 -8.258 1.00 45.13 H new ATOM 0 HA3 GLY A 34 -13.156 -7.201 -7.848 1.00 45.13 H new ATOM 534 N TYR A 35 -12.257 -5.919 -5.222 1.00 33.04 N ATOM 535 CA TYR A 35 -12.398 -4.804 -4.267 1.00 33.25 C ATOM 536 C TYR A 35 -11.082 -4.028 -4.062 1.00 5.14 C ATOM 537 O TYR A 35 -10.945 -3.276 -3.095 1.00 41.53 O ATOM 538 CB TYR A 35 -12.905 -5.334 -2.918 1.00 34.23 C ATOM 539 CG TYR A 35 -14.392 -5.642 -2.895 1.00 20.25 C ATOM 540 CD1 TYR A 35 -14.908 -6.758 -3.545 1.00 32.01 C ATOM 541 CD2 TYR A 35 -15.279 -4.813 -2.213 1.00 55.33 C ATOM 542 CE1 TYR A 35 -16.262 -7.036 -3.519 1.00 34.05 C ATOM 543 CE2 TYR A 35 -16.633 -5.086 -2.184 1.00 2.12 C ATOM 544 CZ TYR A 35 -17.120 -6.197 -2.838 1.00 52.32 C ATOM 545 OH TYR A 35 -18.473 -6.474 -2.806 1.00 52.34 O ATOM 0 H TYR A 35 -12.127 -6.831 -4.784 1.00 33.04 H new ATOM 0 HA TYR A 35 -13.120 -4.107 -4.692 1.00 33.25 H new ATOM 0 HB2 TYR A 35 -12.353 -6.239 -2.664 1.00 34.23 H new ATOM 0 HB3 TYR A 35 -12.685 -4.599 -2.144 1.00 34.23 H new ATOM 0 HD1 TYR A 35 -14.240 -7.418 -4.079 1.00 32.01 H new ATOM 0 HD2 TYR A 35 -14.902 -3.942 -1.698 1.00 55.33 H new ATOM 0 HE1 TYR A 35 -16.647 -7.906 -4.030 1.00 34.05 H new ATOM 0 HE2 TYR A 35 -17.307 -4.432 -1.651 1.00 2.12 H new ATOM 0 HH TYR A 35 -18.936 -5.786 -2.284 1.00 52.34 H new ATOM 555 N ALA A 36 -10.137 -4.186 -4.989 1.00 61.30 N ATOM 556 CA ALA A 36 -8.825 -3.530 -4.900 1.00 44.00 C ATOM 557 C ALA A 36 -8.944 -2.020 -4.617 1.00 1.32 C ATOM 558 O ALA A 36 -8.367 -1.504 -3.653 1.00 3.10 O ATOM 559 CB ALA A 36 -8.041 -3.771 -6.188 1.00 44.14 C ATOM 0 H ALA A 36 -10.254 -4.767 -5.819 1.00 61.30 H new ATOM 0 HA ALA A 36 -8.291 -3.969 -4.057 1.00 44.00 H new ATOM 0 HB1 ALA A 36 -7.069 -3.283 -6.119 1.00 44.14 H new ATOM 0 HB2 ALA A 36 -7.900 -4.842 -6.333 1.00 44.14 H new ATOM 0 HB3 ALA A 36 -8.594 -3.360 -7.033 1.00 44.14 H new ATOM 565 N ARG A 37 -9.702 -1.316 -5.456 1.00 62.20 N ATOM 566 CA ARG A 37 -9.906 0.128 -5.289 1.00 30.51 C ATOM 567 C ARG A 37 -10.507 0.460 -3.912 1.00 14.34 C ATOM 568 O ARG A 37 -10.128 1.444 -3.274 1.00 21.41 O ATOM 569 CB ARG A 37 -10.821 0.666 -6.399 1.00 55.03 C ATOM 570 CG ARG A 37 -11.064 2.172 -6.321 1.00 54.23 C ATOM 571 CD ARG A 37 -11.962 2.666 -7.449 1.00 75.12 C ATOM 572 NE ARG A 37 -11.401 2.382 -8.769 1.00 2.21 N ATOM 573 CZ ARG A 37 -11.876 2.860 -9.886 1.00 40.22 C ATOM 574 NH1 ARG A 37 -12.869 3.691 -9.879 1.00 13.21 N ATOM 575 NH2 ARG A 37 -11.335 2.520 -11.008 1.00 72.32 N ATOM 0 H ARG A 37 -10.186 -1.719 -6.259 1.00 62.20 H new ATOM 0 HA ARG A 37 -8.930 0.609 -5.356 1.00 30.51 H new ATOM 0 HB2 ARG A 37 -10.381 0.428 -7.367 1.00 55.03 H new ATOM 0 HB3 ARG A 37 -11.780 0.150 -6.349 1.00 55.03 H new ATOM 0 HG2 ARG A 37 -11.520 2.416 -5.362 1.00 54.23 H new ATOM 0 HG3 ARG A 37 -10.109 2.696 -6.362 1.00 54.23 H new ATOM 0 HD2 ARG A 37 -12.941 2.195 -7.364 1.00 75.12 H new ATOM 0 HD3 ARG A 37 -12.115 3.740 -7.345 1.00 75.12 H new ATOM 0 HE ARG A 37 -10.586 1.771 -8.820 1.00 2.21 H new ATOM 0 HH11 ARG A 37 -13.288 3.978 -8.994 1.00 13.21 H new ATOM 0 HH12 ARG A 37 -13.233 4.059 -10.758 1.00 13.21 H new ATOM 0 HH21 ARG A 37 -10.540 1.881 -11.018 1.00 72.32 H new ATOM 0 HH22 ARG A 37 -11.702 2.891 -11.884 1.00 72.32 H new ATOM 589 N HIS A 38 -11.430 -0.381 -3.454 1.00 23.24 N ATOM 590 CA HIS A 38 -12.118 -0.161 -2.177 1.00 70.31 C ATOM 591 C HIS A 38 -11.167 -0.327 -0.984 1.00 41.14 C ATOM 592 O HIS A 38 -11.318 0.349 0.037 1.00 63.34 O ATOM 593 CB HIS A 38 -13.319 -1.104 -2.057 1.00 44.31 C ATOM 594 CG HIS A 38 -14.327 -0.887 -3.144 1.00 62.05 C ATOM 595 ND1 HIS A 38 -15.407 -0.060 -2.964 1.00 73.31 N ATOM 596 CD2 HIS A 38 -14.353 -1.379 -4.404 1.00 45.33 C ATOM 597 CE1 HIS A 38 -16.063 -0.064 -4.111 1.00 4.32 C ATOM 598 NE2 HIS A 38 -15.462 -0.850 -5.013 1.00 63.23 N ATOM 0 H HIS A 38 -11.722 -1.225 -3.947 1.00 23.24 H new ATOM 0 HA HIS A 38 -12.477 0.868 -2.160 1.00 70.31 H new ATOM 0 HB2 HIS A 38 -12.971 -2.137 -2.089 1.00 44.31 H new ATOM 0 HB3 HIS A 38 -13.797 -0.958 -1.088 1.00 44.31 H new ATOM 0 HD2 HIS A 38 -13.638 -2.058 -4.845 1.00 45.33 H new ATOM 0 HE1 HIS A 38 -16.968 0.495 -4.297 1.00 4.32 H new ATOM 0 HE2 HIS A 38 -15.770 -1.022 -5.970 1.00 63.23 H new ATOM 606 N VAL A 39 -10.186 -1.218 -1.116 1.00 4.20 N ATOM 607 CA VAL A 39 -9.119 -1.335 -0.121 1.00 32.42 C ATOM 608 C VAL A 39 -8.350 -0.007 -0.020 1.00 35.04 C ATOM 609 O VAL A 39 -8.014 0.454 1.073 1.00 11.50 O ATOM 610 CB VAL A 39 -8.133 -2.480 -0.473 1.00 41.21 C ATOM 611 CG1 VAL A 39 -7.049 -2.626 0.595 1.00 1.21 C ATOM 612 CG2 VAL A 39 -8.879 -3.798 -0.673 1.00 3.40 C ATOM 0 H VAL A 39 -10.107 -1.868 -1.898 1.00 4.20 H new ATOM 0 HA VAL A 39 -9.582 -1.569 0.837 1.00 32.42 H new ATOM 0 HB VAL A 39 -7.643 -2.220 -1.411 1.00 41.21 H new ATOM 0 HG11 VAL A 39 -6.374 -3.436 0.320 1.00 1.21 H new ATOM 0 HG12 VAL A 39 -6.487 -1.695 0.672 1.00 1.21 H new ATOM 0 HG13 VAL A 39 -7.513 -2.851 1.556 1.00 1.21 H new ATOM 0 HG21 VAL A 39 -8.167 -4.586 -0.919 1.00 3.40 H new ATOM 0 HG22 VAL A 39 -9.407 -4.060 0.244 1.00 3.40 H new ATOM 0 HG23 VAL A 39 -9.596 -3.690 -1.487 1.00 3.40 H new ATOM 622 N GLY A 40 -8.102 0.614 -1.176 1.00 31.11 N ATOM 623 CA GLY A 40 -7.455 1.922 -1.206 1.00 32.44 C ATOM 624 C GLY A 40 -8.292 3.012 -0.539 1.00 55.30 C ATOM 625 O GLY A 40 -7.779 3.811 0.248 1.00 13.03 O ATOM 0 H GLY A 40 -8.338 0.235 -2.093 1.00 31.11 H new ATOM 0 HA2 GLY A 40 -6.488 1.856 -0.706 1.00 32.44 H new ATOM 0 HA3 GLY A 40 -7.260 2.202 -2.241 1.00 32.44 H new ATOM 629 N LYS A 41 -9.590 3.035 -0.844 1.00 33.15 N ATOM 630 CA LYS A 41 -10.509 4.017 -0.249 1.00 60.11 C ATOM 631 C LYS A 41 -10.606 3.839 1.278 1.00 44.33 C ATOM 632 O LYS A 41 -10.981 4.763 2.002 1.00 4.24 O ATOM 633 CB LYS A 41 -11.907 3.904 -0.879 1.00 71.14 C ATOM 634 CG LYS A 41 -11.908 3.949 -2.407 1.00 44.35 C ATOM 635 CD LYS A 41 -13.313 4.059 -3.010 1.00 2.21 C ATOM 636 CE LYS A 41 -14.259 2.940 -2.561 1.00 0.10 C ATOM 637 NZ LYS A 41 -14.835 3.183 -1.210 1.00 63.34 N ATOM 0 H LYS A 41 -10.032 2.388 -1.497 1.00 33.15 H new ATOM 0 HA LYS A 41 -10.107 5.009 -0.454 1.00 60.11 H new ATOM 0 HB2 LYS A 41 -12.366 2.971 -0.553 1.00 71.14 H new ATOM 0 HB3 LYS A 41 -12.530 4.715 -0.502 1.00 71.14 H new ATOM 0 HG2 LYS A 41 -11.310 4.798 -2.739 1.00 44.35 H new ATOM 0 HG3 LYS A 41 -11.425 3.050 -2.790 1.00 44.35 H new ATOM 0 HD2 LYS A 41 -13.744 5.021 -2.734 1.00 2.21 H new ATOM 0 HD3 LYS A 41 -13.236 4.044 -4.097 1.00 2.21 H new ATOM 0 HE2 LYS A 41 -15.068 2.842 -3.284 1.00 0.10 H new ATOM 0 HE3 LYS A 41 -13.719 1.993 -2.556 1.00 0.10 H new ATOM 0 HZ1 LYS A 41 -14.456 2.484 -0.540 1.00 63.34 H new ATOM 0 HZ2 LYS A 41 -14.582 4.140 -0.892 1.00 63.34 H new ATOM 0 HZ3 LYS A 41 -15.870 3.095 -1.253 1.00 63.34 H new ATOM 651 N ALA A 42 -10.273 2.641 1.758 1.00 52.52 N ATOM 652 CA ALA A 42 -10.245 2.356 3.195 1.00 33.03 C ATOM 653 C ALA A 42 -8.951 2.869 3.844 1.00 10.31 C ATOM 654 O ALA A 42 -8.983 3.503 4.903 1.00 73.43 O ATOM 655 CB ALA A 42 -10.401 0.857 3.438 1.00 50.31 C ATOM 0 H ALA A 42 -10.017 1.848 1.170 1.00 52.52 H new ATOM 0 HA ALA A 42 -11.081 2.881 3.657 1.00 33.03 H new ATOM 0 HB1 ALA A 42 -10.379 0.658 4.509 1.00 50.31 H new ATOM 0 HB2 ALA A 42 -11.352 0.519 3.026 1.00 50.31 H new ATOM 0 HB3 ALA A 42 -9.584 0.323 2.953 1.00 50.31 H new ATOM 661 N LEU A 43 -7.810 2.597 3.200 1.00 53.44 N ATOM 662 CA LEU A 43 -6.499 3.013 3.724 1.00 45.05 C ATOM 663 C LEU A 43 -6.349 4.542 3.750 1.00 50.11 C ATOM 664 O LEU A 43 -5.728 5.094 4.659 1.00 41.23 O ATOM 665 CB LEU A 43 -5.359 2.396 2.899 1.00 63.35 C ATOM 666 CG LEU A 43 -5.292 0.859 2.906 1.00 74.33 C ATOM 667 CD1 LEU A 43 -4.057 0.373 2.151 1.00 62.00 C ATOM 668 CD2 LEU A 43 -5.294 0.319 4.337 1.00 62.22 C ATOM 0 H LEU A 43 -7.766 2.091 2.315 1.00 53.44 H new ATOM 0 HA LEU A 43 -6.439 2.649 4.750 1.00 45.05 H new ATOM 0 HB2 LEU A 43 -5.457 2.733 1.867 1.00 63.35 H new ATOM 0 HB3 LEU A 43 -4.412 2.785 3.273 1.00 63.35 H new ATOM 0 HG LEU A 43 -6.179 0.479 2.399 1.00 74.33 H new ATOM 0 HD11 LEU A 43 -4.026 -0.716 2.167 1.00 62.00 H new ATOM 0 HD12 LEU A 43 -4.102 0.720 1.119 1.00 62.00 H new ATOM 0 HD13 LEU A 43 -3.160 0.768 2.628 1.00 62.00 H new ATOM 0 HD21 LEU A 43 -5.246 -0.770 4.315 1.00 62.22 H new ATOM 0 HD22 LEU A 43 -4.430 0.710 4.874 1.00 62.22 H new ATOM 0 HD23 LEU A 43 -6.208 0.632 4.843 1.00 62.22 H new ATOM 680 N GLY A 44 -6.928 5.222 2.759 1.00 72.14 N ATOM 681 CA GLY A 44 -6.845 6.682 2.690 1.00 75.44 C ATOM 682 C GLY A 44 -7.390 7.392 3.932 1.00 63.22 C ATOM 683 O GLY A 44 -7.050 8.549 4.194 1.00 4.34 O ATOM 0 H GLY A 44 -7.455 4.790 2.000 1.00 72.14 H new ATOM 0 HA2 GLY A 44 -5.804 6.971 2.546 1.00 75.44 H new ATOM 0 HA3 GLY A 44 -7.396 7.027 1.815 1.00 75.44 H new ATOM 687 N ASN A 45 -8.231 6.696 4.696 1.00 44.52 N ATOM 688 CA ASN A 45 -8.825 7.255 5.919 1.00 72.13 C ATOM 689 C ASN A 45 -7.864 7.156 7.120 1.00 54.31 C ATOM 690 O ASN A 45 -7.999 7.893 8.099 1.00 53.21 O ATOM 691 CB ASN A 45 -10.144 6.530 6.227 1.00 5.52 C ATOM 692 CG ASN A 45 -10.811 7.029 7.497 1.00 72.31 C ATOM 693 OD1 ASN A 45 -11.585 7.981 7.478 1.00 2.22 O ATOM 694 ND2 ASN A 45 -10.523 6.386 8.612 1.00 54.24 N ATOM 0 H ASN A 45 -8.520 5.739 4.492 1.00 44.52 H new ATOM 0 HA ASN A 45 -9.020 8.314 5.748 1.00 72.13 H new ATOM 0 HB2 ASN A 45 -10.828 6.660 5.388 1.00 5.52 H new ATOM 0 HB3 ASN A 45 -9.952 5.461 6.320 1.00 5.52 H new ATOM 0 HD21 ASN A 45 -10.948 6.676 9.493 1.00 54.24 H new ATOM 0 HD22 ASN A 45 -9.875 5.598 8.594 1.00 54.24 H new ATOM 701 N LEU A 46 -6.894 6.250 7.037 1.00 63.21 N ATOM 702 CA LEU A 46 -5.934 6.031 8.127 1.00 64.32 C ATOM 703 C LEU A 46 -5.001 7.238 8.325 1.00 5.33 C ATOM 704 O LEU A 46 -4.590 7.885 7.358 1.00 21.51 O ATOM 705 CB LEU A 46 -5.109 4.765 7.854 1.00 61.32 C ATOM 706 CG LEU A 46 -5.873 3.441 8.009 1.00 32.13 C ATOM 707 CD1 LEU A 46 -5.047 2.273 7.477 1.00 30.12 C ATOM 708 CD2 LEU A 46 -6.247 3.214 9.473 1.00 23.33 C ATOM 0 H LEU A 46 -6.747 5.651 6.225 1.00 63.21 H new ATOM 0 HA LEU A 46 -6.504 5.904 9.047 1.00 64.32 H new ATOM 0 HB2 LEU A 46 -4.712 4.821 6.840 1.00 61.32 H new ATOM 0 HB3 LEU A 46 -4.254 4.754 8.531 1.00 61.32 H new ATOM 0 HG LEU A 46 -6.789 3.501 7.422 1.00 32.13 H new ATOM 0 HD11 LEU A 46 -5.608 1.346 7.597 1.00 30.12 H new ATOM 0 HD12 LEU A 46 -4.831 2.432 6.421 1.00 30.12 H new ATOM 0 HD13 LEU A 46 -4.112 2.206 8.033 1.00 30.12 H new ATOM 0 HD21 LEU A 46 -6.788 2.272 9.569 1.00 23.33 H new ATOM 0 HD22 LEU A 46 -5.341 3.175 10.078 1.00 23.33 H new ATOM 0 HD23 LEU A 46 -6.879 4.032 9.818 1.00 23.33 H new ATOM 720 N PRO A 47 -4.656 7.560 9.590 1.00 15.34 N ATOM 721 CA PRO A 47 -3.759 8.679 9.907 1.00 65.35 C ATOM 722 C PRO A 47 -2.269 8.330 9.734 1.00 13.05 C ATOM 723 O PRO A 47 -1.912 7.232 9.297 1.00 3.31 O ATOM 724 CB PRO A 47 -4.083 8.957 11.377 1.00 32.25 C ATOM 725 CG PRO A 47 -4.443 7.619 11.934 1.00 60.31 C ATOM 726 CD PRO A 47 -5.119 6.865 10.813 1.00 45.01 C ATOM 0 HA PRO A 47 -3.912 9.529 9.241 1.00 65.35 H new ATOM 0 HB2 PRO A 47 -3.228 9.388 11.898 1.00 32.25 H new ATOM 0 HB3 PRO A 47 -4.907 9.664 11.476 1.00 32.25 H new ATOM 0 HG2 PRO A 47 -3.555 7.089 12.280 1.00 60.31 H new ATOM 0 HG3 PRO A 47 -5.108 7.720 12.792 1.00 60.31 H new ATOM 0 HD2 PRO A 47 -4.832 5.813 10.808 1.00 45.01 H new ATOM 0 HD3 PRO A 47 -6.205 6.899 10.906 1.00 45.01 H new ATOM 734 N GLU A 48 -1.403 9.276 10.091 1.00 51.51 N ATOM 735 CA GLU A 48 0.048 9.090 9.977 1.00 65.31 C ATOM 736 C GLU A 48 0.567 8.187 11.102 1.00 41.11 C ATOM 737 O GLU A 48 1.451 7.353 10.895 1.00 33.12 O ATOM 738 CB GLU A 48 0.784 10.445 10.026 1.00 21.35 C ATOM 739 CG GLU A 48 0.330 11.465 8.980 1.00 12.15 C ATOM 740 CD GLU A 48 -1.101 11.944 9.195 1.00 51.11 C ATOM 741 OE1 GLU A 48 -1.338 12.728 10.139 1.00 23.53 O ATOM 742 OE2 GLU A 48 -1.996 11.513 8.445 1.00 42.44 O ATOM 0 H GLU A 48 -1.679 10.184 10.464 1.00 51.51 H new ATOM 0 HA GLU A 48 0.246 8.616 9.016 1.00 65.31 H new ATOM 0 HB2 GLU A 48 0.650 10.879 11.017 1.00 21.35 H new ATOM 0 HB3 GLU A 48 1.852 10.266 9.898 1.00 21.35 H new ATOM 0 HG2 GLU A 48 1.002 12.323 9.003 1.00 12.15 H new ATOM 0 HG3 GLU A 48 0.413 11.021 7.988 1.00 12.15 H new ATOM 749 N GLY A 49 0.004 8.360 12.297 1.00 72.33 N ATOM 750 CA GLY A 49 0.427 7.579 13.456 1.00 50.14 C ATOM 751 C GLY A 49 -0.438 6.347 13.716 1.00 41.13 C ATOM 752 O GLY A 49 -1.023 6.204 14.792 1.00 65.42 O ATOM 0 H GLY A 49 -0.741 9.030 12.486 1.00 72.33 H new ATOM 0 HA2 GLY A 49 1.460 7.263 13.312 1.00 50.14 H new ATOM 0 HA3 GLY A 49 0.409 8.217 14.339 1.00 50.14 H new ATOM 756 N SER A 50 -0.537 5.459 12.728 1.00 20.43 N ATOM 757 CA SER A 50 -1.231 4.172 12.908 1.00 60.04 C ATOM 758 C SER A 50 -0.233 3.022 13.095 1.00 63.22 C ATOM 759 O SER A 50 0.939 3.130 12.724 1.00 14.40 O ATOM 760 CB SER A 50 -2.138 3.857 11.712 1.00 52.41 C ATOM 761 OG SER A 50 -2.730 2.571 11.848 1.00 14.21 O ATOM 0 H SER A 50 -0.149 5.601 11.795 1.00 20.43 H new ATOM 0 HA SER A 50 -1.841 4.266 13.806 1.00 60.04 H new ATOM 0 HB2 SER A 50 -2.918 4.614 11.633 1.00 52.41 H new ATOM 0 HB3 SER A 50 -1.558 3.899 10.790 1.00 52.41 H new ATOM 0 HG SER A 50 -3.305 2.392 11.075 1.00 14.21 H new ATOM 767 N LYS A 51 -0.701 1.919 13.678 1.00 70.21 N ATOM 768 CA LYS A 51 0.131 0.722 13.842 1.00 71.24 C ATOM 769 C LYS A 51 0.070 -0.154 12.580 1.00 52.14 C ATOM 770 O LYS A 51 0.899 -1.043 12.379 1.00 42.40 O ATOM 771 CB LYS A 51 -0.322 -0.083 15.074 1.00 54.43 C ATOM 772 CG LYS A 51 0.665 -1.172 15.493 1.00 62.33 C ATOM 773 CD LYS A 51 0.160 -1.984 16.682 1.00 41.33 C ATOM 774 CE LYS A 51 1.203 -2.992 17.158 1.00 53.45 C ATOM 775 NZ LYS A 51 1.633 -3.910 16.068 1.00 4.43 N ATOM 0 H LYS A 51 -1.648 1.827 14.044 1.00 70.21 H new ATOM 0 HA LYS A 51 1.163 1.039 13.994 1.00 71.24 H new ATOM 0 HB2 LYS A 51 -0.471 0.601 15.909 1.00 54.43 H new ATOM 0 HB3 LYS A 51 -1.288 -0.542 14.862 1.00 54.43 H new ATOM 0 HG2 LYS A 51 0.846 -1.839 14.650 1.00 62.33 H new ATOM 0 HG3 LYS A 51 1.621 -0.714 15.748 1.00 62.33 H new ATOM 0 HD2 LYS A 51 -0.096 -1.311 17.500 1.00 41.33 H new ATOM 0 HD3 LYS A 51 -0.754 -2.509 16.403 1.00 41.33 H new ATOM 0 HE2 LYS A 51 2.071 -2.459 17.546 1.00 53.45 H new ATOM 0 HE3 LYS A 51 0.793 -3.576 17.982 1.00 53.45 H new ATOM 0 HZ1 LYS A 51 2.222 -4.669 16.466 1.00 4.43 H new ATOM 0 HZ2 LYS A 51 0.795 -4.324 15.612 1.00 4.43 H new ATOM 0 HZ3 LYS A 51 2.183 -3.379 15.363 1.00 4.43 H new ATOM 789 N LEU A 52 -0.920 0.115 11.733 1.00 51.40 N ATOM 790 CA LEU A 52 -1.091 -0.602 10.468 1.00 40.35 C ATOM 791 C LEU A 52 -0.394 0.145 9.317 1.00 14.13 C ATOM 792 O LEU A 52 -0.770 1.270 8.982 1.00 51.51 O ATOM 793 CB LEU A 52 -2.589 -0.748 10.158 1.00 53.43 C ATOM 794 CG LEU A 52 -2.925 -1.387 8.800 1.00 50.33 C ATOM 795 CD1 LEU A 52 -2.482 -2.846 8.754 1.00 41.23 C ATOM 796 CD2 LEU A 52 -4.416 -1.263 8.504 1.00 73.11 C ATOM 0 H LEU A 52 -1.625 0.833 11.901 1.00 51.40 H new ATOM 0 HA LEU A 52 -0.637 -1.588 10.564 1.00 40.35 H new ATOM 0 HB2 LEU A 52 -3.048 -1.346 10.945 1.00 53.43 H new ATOM 0 HB3 LEU A 52 -3.049 0.240 10.199 1.00 53.43 H new ATOM 0 HG LEU A 52 -2.376 -0.848 8.028 1.00 50.33 H new ATOM 0 HD11 LEU A 52 -2.732 -3.272 7.782 1.00 41.23 H new ATOM 0 HD12 LEU A 52 -1.405 -2.904 8.909 1.00 41.23 H new ATOM 0 HD13 LEU A 52 -2.992 -3.406 9.538 1.00 41.23 H new ATOM 0 HD21 LEU A 52 -4.635 -1.721 7.539 1.00 73.11 H new ATOM 0 HD22 LEU A 52 -4.985 -1.770 9.283 1.00 73.11 H new ATOM 0 HD23 LEU A 52 -4.695 -0.210 8.478 1.00 73.11 H new ATOM 808 N PRO A 53 0.634 -0.459 8.688 1.00 32.33 N ATOM 809 CA PRO A 53 1.325 0.186 7.571 1.00 44.42 C ATOM 810 C PRO A 53 0.487 0.174 6.281 1.00 63.11 C ATOM 811 O PRO A 53 0.523 -0.780 5.504 1.00 5.13 O ATOM 812 CB PRO A 53 2.598 -0.657 7.417 1.00 2.54 C ATOM 813 CG PRO A 53 2.220 -2.012 7.926 1.00 51.32 C ATOM 814 CD PRO A 53 1.199 -1.784 9.015 1.00 20.20 C ATOM 0 HA PRO A 53 1.523 1.242 7.757 1.00 44.42 H new ATOM 0 HB2 PRO A 53 2.921 -0.701 6.377 1.00 2.54 H new ATOM 0 HB3 PRO A 53 3.424 -0.235 7.990 1.00 2.54 H new ATOM 0 HG2 PRO A 53 1.806 -2.626 7.127 1.00 51.32 H new ATOM 0 HG3 PRO A 53 3.092 -2.539 8.314 1.00 51.32 H new ATOM 0 HD2 PRO A 53 0.432 -2.558 9.014 1.00 20.20 H new ATOM 0 HD3 PRO A 53 1.658 -1.791 10.003 1.00 20.20 H new ATOM 822 N TRP A 54 -0.248 1.259 6.051 1.00 20.21 N ATOM 823 CA TRP A 54 -1.094 1.395 4.858 1.00 13.12 C ATOM 824 C TRP A 54 -0.269 1.805 3.634 1.00 60.33 C ATOM 825 O TRP A 54 -0.583 1.445 2.500 1.00 21.55 O ATOM 826 CB TRP A 54 -2.214 2.417 5.120 1.00 43.13 C ATOM 827 CG TRP A 54 -1.740 3.718 5.720 1.00 23.30 C ATOM 828 CD1 TRP A 54 -1.672 4.028 7.049 1.00 71.53 C ATOM 829 CD2 TRP A 54 -1.278 4.881 5.016 1.00 22.50 C ATOM 830 NE1 TRP A 54 -1.202 5.307 7.213 1.00 0.15 N ATOM 831 CE2 TRP A 54 -0.951 5.851 5.983 1.00 43.51 C ATOM 832 CE3 TRP A 54 -1.111 5.196 3.665 1.00 21.54 C ATOM 833 CZ2 TRP A 54 -0.464 7.109 5.641 1.00 4.51 C ATOM 834 CZ3 TRP A 54 -0.627 6.444 3.328 1.00 71.13 C ATOM 835 CH2 TRP A 54 -0.309 7.388 4.313 1.00 52.23 C ATOM 0 H TRP A 54 -0.278 2.064 6.677 1.00 20.21 H new ATOM 0 HA TRP A 54 -1.541 0.424 4.646 1.00 13.12 H new ATOM 0 HB2 TRP A 54 -2.724 2.628 4.180 1.00 43.13 H new ATOM 0 HB3 TRP A 54 -2.950 1.969 5.788 1.00 43.13 H new ATOM 0 HD1 TRP A 54 -1.948 3.363 7.854 1.00 71.53 H new ATOM 0 HE1 TRP A 54 -1.062 5.776 8.108 1.00 0.15 H new ATOM 0 HE3 TRP A 54 -1.356 4.476 2.898 1.00 21.54 H new ATOM 0 HZ2 TRP A 54 -0.218 7.838 6.398 1.00 4.51 H new ATOM 0 HZ3 TRP A 54 -0.491 6.697 2.287 1.00 71.13 H new ATOM 0 HH2 TRP A 54 0.066 8.356 4.016 1.00 52.23 H new ATOM 846 N PHE A 55 0.801 2.545 3.886 1.00 12.24 N ATOM 847 CA PHE A 55 1.690 3.036 2.829 1.00 71.34 C ATOM 848 C PHE A 55 2.329 1.898 2.006 1.00 72.02 C ATOM 849 O PHE A 55 2.732 2.108 0.864 1.00 24.32 O ATOM 850 CB PHE A 55 2.776 3.931 3.444 1.00 53.41 C ATOM 851 CG PHE A 55 3.511 3.308 4.612 1.00 42.42 C ATOM 852 CD1 PHE A 55 3.009 3.423 5.903 1.00 25.40 C ATOM 853 CD2 PHE A 55 4.704 2.623 4.424 1.00 53.11 C ATOM 854 CE1 PHE A 55 3.679 2.867 6.976 1.00 31.42 C ATOM 855 CE2 PHE A 55 5.378 2.067 5.498 1.00 74.34 C ATOM 856 CZ PHE A 55 4.863 2.190 6.774 1.00 1.54 C ATOM 0 H PHE A 55 1.082 2.825 4.826 1.00 12.24 H new ATOM 0 HA PHE A 55 1.082 3.615 2.134 1.00 71.34 H new ATOM 0 HB2 PHE A 55 3.499 4.188 2.670 1.00 53.41 H new ATOM 0 HB3 PHE A 55 2.318 4.863 3.774 1.00 53.41 H new ATOM 0 HD1 PHE A 55 2.083 3.954 6.070 1.00 25.40 H new ATOM 0 HD2 PHE A 55 5.111 2.523 3.429 1.00 53.11 H new ATOM 0 HE1 PHE A 55 3.275 2.963 7.973 1.00 31.42 H new ATOM 0 HE2 PHE A 55 6.306 1.538 5.338 1.00 74.34 H new ATOM 0 HZ PHE A 55 5.387 1.756 7.613 1.00 1.54 H new ATOM 866 N ARG A 56 2.404 0.695 2.583 1.00 11.11 N ATOM 867 CA ARG A 56 3.037 -0.456 1.910 1.00 65.31 C ATOM 868 C ARG A 56 2.111 -1.117 0.873 1.00 73.43 C ATOM 869 O ARG A 56 2.500 -2.084 0.217 1.00 60.11 O ATOM 870 CB ARG A 56 3.488 -1.499 2.946 1.00 21.31 C ATOM 871 CG ARG A 56 4.614 -1.010 3.851 1.00 41.33 C ATOM 872 CD ARG A 56 5.057 -2.075 4.851 1.00 25.22 C ATOM 873 NE ARG A 56 6.158 -1.604 5.683 1.00 20.43 N ATOM 874 CZ ARG A 56 6.505 -2.129 6.824 1.00 42.41 C ATOM 875 NH1 ARG A 56 5.910 -3.181 7.281 1.00 73.05 N ATOM 876 NH2 ARG A 56 7.490 -1.620 7.488 1.00 63.01 N ATOM 0 H ARG A 56 2.037 0.488 3.512 1.00 11.11 H new ATOM 0 HA ARG A 56 3.904 -0.070 1.374 1.00 65.31 H new ATOM 0 HB2 ARG A 56 2.634 -1.781 3.562 1.00 21.31 H new ATOM 0 HB3 ARG A 56 3.816 -2.399 2.425 1.00 21.31 H new ATOM 0 HG2 ARG A 56 5.466 -0.712 3.239 1.00 41.33 H new ATOM 0 HG3 ARG A 56 4.284 -0.123 4.391 1.00 41.33 H new ATOM 0 HD2 ARG A 56 4.215 -2.353 5.484 1.00 25.22 H new ATOM 0 HD3 ARG A 56 5.363 -2.973 4.315 1.00 25.22 H new ATOM 0 HE ARG A 56 6.696 -0.805 5.347 1.00 20.43 H new ATOM 0 HH11 ARG A 56 5.156 -3.613 6.747 1.00 73.05 H new ATOM 0 HH12 ARG A 56 6.194 -3.579 8.176 1.00 73.05 H new ATOM 0 HH21 ARG A 56 7.991 -0.812 7.118 1.00 63.01 H new ATOM 0 HH22 ARG A 56 7.767 -2.026 8.382 1.00 63.01 H new ATOM 890 N VAL A 57 0.892 -0.606 0.726 1.00 2.22 N ATOM 891 CA VAL A 57 -0.051 -1.142 -0.261 1.00 60.52 C ATOM 892 C VAL A 57 -0.430 -0.069 -1.297 1.00 1.31 C ATOM 893 O VAL A 57 -1.138 0.894 -0.987 1.00 64.23 O ATOM 894 CB VAL A 57 -1.333 -1.690 0.416 1.00 0.34 C ATOM 895 CG1 VAL A 57 -2.181 -2.463 -0.588 1.00 65.32 C ATOM 896 CG2 VAL A 57 -0.987 -2.563 1.622 1.00 31.03 C ATOM 0 H VAL A 57 0.531 0.175 1.273 1.00 2.22 H new ATOM 0 HA VAL A 57 0.449 -1.967 -0.769 1.00 60.52 H new ATOM 0 HB VAL A 57 -1.915 -0.841 0.775 1.00 0.34 H new ATOM 0 HG11 VAL A 57 -3.077 -2.840 -0.094 1.00 65.32 H new ATOM 0 HG12 VAL A 57 -2.469 -1.803 -1.406 1.00 65.32 H new ATOM 0 HG13 VAL A 57 -1.605 -3.300 -0.983 1.00 65.32 H new ATOM 0 HG21 VAL A 57 -1.905 -2.934 2.078 1.00 31.03 H new ATOM 0 HG22 VAL A 57 -0.376 -3.406 1.298 1.00 31.03 H new ATOM 0 HG23 VAL A 57 -0.433 -1.973 2.351 1.00 31.03 H new ATOM 906 N ILE A 58 0.049 -0.244 -2.528 1.00 72.00 N ATOM 907 CA ILE A 58 -0.169 0.732 -3.602 1.00 51.21 C ATOM 908 C ILE A 58 -1.030 0.154 -4.740 1.00 35.50 C ATOM 909 O ILE A 58 -1.569 -0.951 -4.630 1.00 53.10 O ATOM 910 CB ILE A 58 1.181 1.232 -4.180 1.00 21.55 C ATOM 911 CG1 ILE A 58 1.997 0.059 -4.757 1.00 5.23 C ATOM 912 CG2 ILE A 58 1.980 1.971 -3.104 1.00 43.42 C ATOM 913 CD1 ILE A 58 3.316 0.479 -5.376 1.00 10.21 C ATOM 0 H ILE A 58 0.595 -1.058 -2.810 1.00 72.00 H new ATOM 0 HA ILE A 58 -0.706 1.571 -3.158 1.00 51.21 H new ATOM 0 HB ILE A 58 0.971 1.928 -4.992 1.00 21.55 H new ATOM 0 HG12 ILE A 58 2.192 -0.662 -3.963 1.00 5.23 H new ATOM 0 HG13 ILE A 58 1.398 -0.452 -5.511 1.00 5.23 H new ATOM 0 HG21 ILE A 58 2.925 2.316 -3.525 1.00 43.42 H new ATOM 0 HG22 ILE A 58 1.407 2.827 -2.749 1.00 43.42 H new ATOM 0 HG23 ILE A 58 2.178 1.297 -2.271 1.00 43.42 H new ATOM 0 HD11 ILE A 58 3.834 -0.400 -5.760 1.00 10.21 H new ATOM 0 HD12 ILE A 58 3.129 1.176 -6.193 1.00 10.21 H new ATOM 0 HD13 ILE A 58 3.935 0.963 -4.620 1.00 10.21 H new ATOM 925 N ASN A 59 -1.160 0.904 -5.836 1.00 12.23 N ATOM 926 CA ASN A 59 -2.012 0.485 -6.956 1.00 71.52 C ATOM 927 C ASN A 59 -1.303 -0.525 -7.876 1.00 0.12 C ATOM 928 O ASN A 59 -0.082 -0.691 -7.822 1.00 34.14 O ATOM 929 CB ASN A 59 -2.501 1.707 -7.753 1.00 51.31 C ATOM 930 CG ASN A 59 -1.378 2.567 -8.312 1.00 42.21 C ATOM 931 OD1 ASN A 59 -0.305 2.081 -8.652 1.00 42.51 O ATOM 932 ND2 ASN A 59 -1.623 3.856 -8.417 1.00 62.43 N ATOM 0 H ASN A 59 -0.691 1.799 -5.974 1.00 12.23 H new ATOM 0 HA ASN A 59 -2.879 -0.023 -6.533 1.00 71.52 H new ATOM 0 HB2 ASN A 59 -3.128 1.364 -8.576 1.00 51.31 H new ATOM 0 HB3 ASN A 59 -3.130 2.321 -7.108 1.00 51.31 H new ATOM 0 HD21 ASN A 59 -0.909 4.482 -8.790 1.00 62.43 H new ATOM 0 HD22 ASN A 59 -2.526 4.229 -8.125 1.00 62.43 H new ATOM 939 N SER A 60 -2.082 -1.180 -8.736 1.00 4.45 N ATOM 940 CA SER A 60 -1.570 -2.247 -9.617 1.00 4.24 C ATOM 941 C SER A 60 -0.658 -1.712 -10.733 1.00 4.21 C ATOM 942 O SER A 60 -0.113 -2.487 -11.520 1.00 72.52 O ATOM 943 CB SER A 60 -2.740 -3.021 -10.240 1.00 75.52 C ATOM 944 OG SER A 60 -3.570 -2.168 -11.016 1.00 74.30 O ATOM 0 H SER A 60 -3.079 -0.994 -8.847 1.00 4.45 H new ATOM 0 HA SER A 60 -0.968 -2.908 -8.993 1.00 4.24 H new ATOM 0 HB2 SER A 60 -2.354 -3.825 -10.867 1.00 75.52 H new ATOM 0 HB3 SER A 60 -3.331 -3.488 -9.452 1.00 75.52 H new ATOM 0 HG SER A 60 -4.305 -2.689 -11.401 1.00 74.30 H new ATOM 950 N GLN A 61 -0.493 -0.393 -10.802 1.00 52.34 N ATOM 951 CA GLN A 61 0.370 0.229 -11.816 1.00 52.31 C ATOM 952 C GLN A 61 1.791 0.474 -11.291 1.00 3.41 C ATOM 953 O GLN A 61 2.694 0.819 -12.056 1.00 53.30 O ATOM 954 CB GLN A 61 -0.242 1.556 -12.291 1.00 35.42 C ATOM 955 CG GLN A 61 -1.572 1.394 -13.021 1.00 63.35 C ATOM 956 CD GLN A 61 -1.470 0.521 -14.265 1.00 74.45 C ATOM 957 OE1 GLN A 61 -0.333 0.544 -14.932 1.00 60.10 O flip ATOM 958 NE2 GLN A 61 -2.418 -0.165 -14.630 1.00 72.31 N flip ATOM 0 H GLN A 61 -0.943 0.269 -10.170 1.00 52.34 H new ATOM 0 HA GLN A 61 0.439 -0.466 -12.653 1.00 52.31 H new ATOM 0 HB2 GLN A 61 -0.388 2.207 -11.429 1.00 35.42 H new ATOM 0 HB3 GLN A 61 0.466 2.056 -12.952 1.00 35.42 H new ATOM 0 HG2 GLN A 61 -2.303 0.960 -12.339 1.00 63.35 H new ATOM 0 HG3 GLN A 61 -1.946 2.378 -13.305 1.00 63.35 H new ATOM 0 HE21 GLN A 61 -3.286 -0.163 -14.094 1.00 72.31 H new ATOM 0 HE22 GLN A 61 -2.339 -0.738 -15.470 1.00 72.31 H new ATOM 967 N GLY A 62 1.994 0.287 -9.992 1.00 4.24 N ATOM 968 CA GLY A 62 3.292 0.575 -9.393 1.00 23.04 C ATOM 969 C GLY A 62 3.516 2.067 -9.183 1.00 62.45 C ATOM 970 O GLY A 62 4.584 2.600 -9.488 1.00 54.31 O ATOM 0 H GLY A 62 1.288 -0.058 -9.341 1.00 4.24 H new ATOM 0 HA2 GLY A 62 3.369 0.060 -8.435 1.00 23.04 H new ATOM 0 HA3 GLY A 62 4.080 0.178 -10.033 1.00 23.04 H new ATOM 974 N LYS A 63 2.492 2.738 -8.674 1.00 73.04 N ATOM 975 CA LYS A 63 2.548 4.174 -8.390 1.00 53.44 C ATOM 976 C LYS A 63 1.983 4.470 -6.998 1.00 65.33 C ATOM 977 O LYS A 63 1.416 3.592 -6.344 1.00 13.55 O ATOM 978 CB LYS A 63 1.733 4.959 -9.428 1.00 63.12 C ATOM 979 CG LYS A 63 2.283 4.912 -10.850 1.00 42.53 C ATOM 980 CD LYS A 63 1.360 5.647 -11.821 1.00 42.22 C ATOM 981 CE LYS A 63 1.886 5.620 -13.249 1.00 3.21 C ATOM 982 NZ LYS A 63 0.907 6.200 -14.206 1.00 22.35 N ATOM 0 H LYS A 63 1.597 2.306 -8.445 1.00 73.04 H new ATOM 0 HA LYS A 63 3.593 4.481 -8.434 1.00 53.44 H new ATOM 0 HB2 LYS A 63 0.714 4.572 -9.436 1.00 63.12 H new ATOM 0 HB3 LYS A 63 1.676 6.000 -9.111 1.00 63.12 H new ATOM 0 HG2 LYS A 63 3.275 5.363 -10.875 1.00 42.53 H new ATOM 0 HG3 LYS A 63 2.396 3.875 -11.165 1.00 42.53 H new ATOM 0 HD2 LYS A 63 0.370 5.193 -11.792 1.00 42.22 H new ATOM 0 HD3 LYS A 63 1.246 6.682 -11.498 1.00 42.22 H new ATOM 0 HE2 LYS A 63 2.821 6.177 -13.303 1.00 3.21 H new ATOM 0 HE3 LYS A 63 2.110 4.592 -13.535 1.00 3.21 H new ATOM 0 HZ1 LYS A 63 1.300 6.165 -15.168 1.00 22.35 H new ATOM 0 HZ2 LYS A 63 0.023 5.653 -14.172 1.00 22.35 H new ATOM 0 HZ3 LYS A 63 0.713 7.188 -13.947 1.00 22.35 H new ATOM 996 N ILE A 64 2.122 5.714 -6.557 1.00 11.22 N ATOM 997 CA ILE A 64 1.504 6.154 -5.309 1.00 1.14 C ATOM 998 C ILE A 64 -0.025 6.171 -5.459 1.00 24.31 C ATOM 999 O ILE A 64 -0.570 6.885 -6.302 1.00 63.25 O ATOM 1000 CB ILE A 64 2.019 7.553 -4.894 1.00 51.31 C ATOM 1001 CG1 ILE A 64 3.541 7.505 -4.667 1.00 63.54 C ATOM 1002 CG2 ILE A 64 1.300 8.051 -3.642 1.00 20.12 C ATOM 1003 CD1 ILE A 64 4.146 8.833 -4.271 1.00 22.35 C ATOM 0 H ILE A 64 2.655 6.436 -7.042 1.00 11.22 H new ATOM 0 HA ILE A 64 1.779 5.449 -4.524 1.00 1.14 H new ATOM 0 HB ILE A 64 1.806 8.255 -5.700 1.00 51.31 H new ATOM 0 HG12 ILE A 64 3.759 6.772 -3.890 1.00 63.54 H new ATOM 0 HG13 ILE A 64 4.023 7.155 -5.580 1.00 63.54 H new ATOM 0 HG21 ILE A 64 1.680 9.036 -3.372 1.00 20.12 H new ATOM 0 HG22 ILE A 64 0.230 8.117 -3.839 1.00 20.12 H new ATOM 0 HG23 ILE A 64 1.476 7.356 -2.821 1.00 20.12 H new ATOM 0 HD11 ILE A 64 5.220 8.716 -4.130 1.00 22.35 H new ATOM 0 HD12 ILE A 64 3.961 9.566 -5.057 1.00 22.35 H new ATOM 0 HD13 ILE A 64 3.693 9.176 -3.341 1.00 22.35 H new ATOM 1015 N SER A 65 -0.708 5.367 -4.647 1.00 63.33 N ATOM 1016 CA SER A 65 -2.157 5.163 -4.790 1.00 10.22 C ATOM 1017 C SER A 65 -2.965 6.399 -4.377 1.00 21.12 C ATOM 1018 O SER A 65 -4.024 6.680 -4.948 1.00 73.13 O ATOM 1019 CB SER A 65 -2.607 3.953 -3.964 1.00 31.01 C ATOM 1020 OG SER A 65 -2.256 4.095 -2.598 1.00 5.03 O ATOM 0 H SER A 65 -0.285 4.843 -3.881 1.00 63.33 H new ATOM 0 HA SER A 65 -2.350 4.982 -5.847 1.00 10.22 H new ATOM 0 HB2 SER A 65 -3.687 3.832 -4.052 1.00 31.01 H new ATOM 0 HB3 SER A 65 -2.151 3.048 -4.365 1.00 31.01 H new ATOM 0 HG SER A 65 -2.747 3.436 -2.064 1.00 5.03 H new ATOM 1026 N LEU A 66 -2.470 7.131 -3.388 1.00 44.02 N ATOM 1027 CA LEU A 66 -3.149 8.340 -2.908 1.00 13.42 C ATOM 1028 C LEU A 66 -2.877 9.551 -3.825 1.00 3.41 C ATOM 1029 O LEU A 66 -2.255 9.423 -4.882 1.00 75.13 O ATOM 1030 CB LEU A 66 -2.708 8.638 -1.469 1.00 44.13 C ATOM 1031 CG LEU A 66 -3.005 7.521 -0.451 1.00 74.34 C ATOM 1032 CD1 LEU A 66 -2.526 7.908 0.944 1.00 13.22 C ATOM 1033 CD2 LEU A 66 -4.495 7.188 -0.431 1.00 11.45 C ATOM 0 H LEU A 66 -1.602 6.914 -2.899 1.00 44.02 H new ATOM 0 HA LEU A 66 -4.224 8.160 -2.927 1.00 13.42 H new ATOM 0 HB2 LEU A 66 -1.636 8.834 -1.467 1.00 44.13 H new ATOM 0 HB3 LEU A 66 -3.200 9.552 -1.136 1.00 44.13 H new ATOM 0 HG LEU A 66 -2.457 6.632 -0.763 1.00 74.34 H new ATOM 0 HD11 LEU A 66 -2.749 7.101 1.642 1.00 13.22 H new ATOM 0 HD12 LEU A 66 -1.450 8.084 0.924 1.00 13.22 H new ATOM 0 HD13 LEU A 66 -3.036 8.816 1.265 1.00 13.22 H new ATOM 0 HD21 LEU A 66 -4.681 6.397 0.295 1.00 11.45 H new ATOM 0 HD22 LEU A 66 -5.063 8.076 -0.153 1.00 11.45 H new ATOM 0 HD23 LEU A 66 -4.806 6.853 -1.420 1.00 11.45 H new ATOM 1045 N LYS A 67 -3.356 10.727 -3.420 1.00 40.34 N ATOM 1046 CA LYS A 67 -3.228 11.941 -4.237 1.00 12.44 C ATOM 1047 C LYS A 67 -3.077 13.199 -3.368 1.00 64.13 C ATOM 1048 O LYS A 67 -3.397 13.188 -2.179 1.00 54.05 O ATOM 1049 CB LYS A 67 -4.450 12.077 -5.156 1.00 1.41 C ATOM 1050 CG LYS A 67 -5.784 12.103 -4.409 1.00 34.44 C ATOM 1051 CD LYS A 67 -6.972 12.203 -5.361 1.00 52.45 C ATOM 1052 CE LYS A 67 -6.928 13.481 -6.192 1.00 5.24 C ATOM 1053 NZ LYS A 67 -6.992 14.702 -5.347 1.00 24.14 N ATOM 0 H LYS A 67 -3.837 10.868 -2.532 1.00 40.34 H new ATOM 0 HA LYS A 67 -2.324 11.848 -4.839 1.00 12.44 H new ATOM 0 HB2 LYS A 67 -4.354 12.992 -5.740 1.00 1.41 H new ATOM 0 HB3 LYS A 67 -4.456 11.247 -5.862 1.00 1.41 H new ATOM 0 HG2 LYS A 67 -5.879 11.201 -3.805 1.00 34.44 H new ATOM 0 HG3 LYS A 67 -5.798 12.949 -3.722 1.00 34.44 H new ATOM 0 HD2 LYS A 67 -6.979 11.338 -6.025 1.00 52.45 H new ATOM 0 HD3 LYS A 67 -7.899 12.174 -4.789 1.00 52.45 H new ATOM 0 HE2 LYS A 67 -6.012 13.497 -6.782 1.00 5.24 H new ATOM 0 HE3 LYS A 67 -7.761 13.484 -6.895 1.00 5.24 H new ATOM 0 HZ1 LYS A 67 -7.130 15.536 -5.952 1.00 24.14 H new ATOM 0 HZ2 LYS A 67 -7.787 14.622 -4.681 1.00 24.14 H new ATOM 0 HZ3 LYS A 67 -6.104 14.803 -4.815 1.00 24.14 H new ATOM 1067 N GLY A 68 -2.584 14.282 -3.971 1.00 14.22 N ATOM 1068 CA GLY A 68 -2.393 15.533 -3.241 1.00 61.55 C ATOM 1069 C GLY A 68 -1.426 15.396 -2.066 1.00 62.34 C ATOM 1070 O GLY A 68 -0.369 14.779 -2.194 1.00 73.44 O ATOM 0 H GLY A 68 -2.312 14.317 -4.954 1.00 14.22 H new ATOM 0 HA2 GLY A 68 -2.018 16.294 -3.926 1.00 61.55 H new ATOM 0 HA3 GLY A 68 -3.357 15.883 -2.872 1.00 61.55 H new ATOM 1074 N ARG A 69 -1.790 15.955 -0.917 1.00 75.25 N ATOM 1075 CA ARG A 69 -0.957 15.855 0.286 1.00 23.11 C ATOM 1076 C ARG A 69 -0.804 14.392 0.728 1.00 31.45 C ATOM 1077 O ARG A 69 0.239 13.989 1.245 1.00 65.42 O ATOM 1078 CB ARG A 69 -1.565 16.684 1.422 1.00 34.12 C ATOM 1079 CG ARG A 69 -1.845 18.135 1.042 1.00 63.15 C ATOM 1080 CD ARG A 69 -2.396 18.927 2.222 1.00 12.35 C ATOM 1081 NE ARG A 69 -1.415 19.060 3.301 1.00 22.12 N ATOM 1082 CZ ARG A 69 -1.661 18.824 4.563 1.00 42.31 C ATOM 1083 NH1 ARG A 69 -2.834 18.433 4.950 1.00 34.40 N ATOM 1084 NH2 ARG A 69 -0.728 18.998 5.441 1.00 74.21 N ATOM 0 H ARG A 69 -2.654 16.482 -0.789 1.00 75.25 H new ATOM 0 HA ARG A 69 0.032 16.247 0.047 1.00 23.11 H new ATOM 0 HB2 ARG A 69 -2.496 16.216 1.743 1.00 34.12 H new ATOM 0 HB3 ARG A 69 -0.888 16.666 2.276 1.00 34.12 H new ATOM 0 HG2 ARG A 69 -0.927 18.602 0.686 1.00 63.15 H new ATOM 0 HG3 ARG A 69 -2.558 18.165 0.218 1.00 63.15 H new ATOM 0 HD2 ARG A 69 -2.699 19.918 1.884 1.00 12.35 H new ATOM 0 HD3 ARG A 69 -3.290 18.434 2.604 1.00 12.35 H new ATOM 0 HE ARG A 69 -0.472 19.358 3.050 1.00 22.12 H new ATOM 0 HH11 ARG A 69 -3.580 18.305 4.266 1.00 34.40 H new ATOM 0 HH12 ARG A 69 -3.011 18.253 5.938 1.00 34.40 H new ATOM 0 HH21 ARG A 69 0.195 19.318 5.148 1.00 74.21 H new ATOM 0 HH22 ARG A 69 -0.915 18.815 6.427 1.00 74.21 H new ATOM 1098 N ASP A 70 -1.852 13.598 0.509 1.00 4.33 N ATOM 1099 CA ASP A 70 -1.812 12.165 0.808 1.00 73.13 C ATOM 1100 C ASP A 70 -0.749 11.443 -0.038 1.00 33.51 C ATOM 1101 O ASP A 70 -0.171 10.447 0.398 1.00 41.23 O ATOM 1102 CB ASP A 70 -3.186 11.533 0.571 1.00 40.55 C ATOM 1103 CG ASP A 70 -4.218 11.992 1.581 1.00 24.33 C ATOM 1104 OD1 ASP A 70 -4.882 13.025 1.335 1.00 72.23 O ATOM 1105 OD2 ASP A 70 -4.364 11.326 2.626 1.00 24.13 O ATOM 0 H ASP A 70 -2.740 13.922 0.125 1.00 4.33 H new ATOM 0 HA ASP A 70 -1.542 12.054 1.858 1.00 73.13 H new ATOM 0 HB2 ASP A 70 -3.529 11.783 -0.433 1.00 40.55 H new ATOM 0 HB3 ASP A 70 -3.096 10.448 0.616 1.00 40.55 H new ATOM 1110 N LEU A 71 -0.495 11.953 -1.243 1.00 2.54 N ATOM 1111 CA LEU A 71 0.528 11.387 -2.129 1.00 14.03 C ATOM 1112 C LEU A 71 1.910 11.429 -1.458 1.00 24.21 C ATOM 1113 O LEU A 71 2.581 10.403 -1.320 1.00 43.32 O ATOM 1114 CB LEU A 71 0.535 12.149 -3.472 1.00 11.15 C ATOM 1115 CG LEU A 71 1.478 11.608 -4.568 1.00 24.34 C ATOM 1116 CD1 LEU A 71 0.959 11.981 -5.955 1.00 33.23 C ATOM 1117 CD2 LEU A 71 2.902 12.135 -4.385 1.00 41.15 C ATOM 0 H LEU A 71 -0.984 12.760 -1.631 1.00 2.54 H new ATOM 0 HA LEU A 71 0.290 10.342 -2.326 1.00 14.03 H new ATOM 0 HB2 LEU A 71 -0.481 12.152 -3.867 1.00 11.15 H new ATOM 0 HB3 LEU A 71 0.803 13.187 -3.274 1.00 11.15 H new ATOM 0 HG LEU A 71 1.501 10.522 -4.477 1.00 24.34 H new ATOM 0 HD11 LEU A 71 1.637 11.591 -6.714 1.00 33.23 H new ATOM 0 HD12 LEU A 71 -0.033 11.553 -6.100 1.00 33.23 H new ATOM 0 HD13 LEU A 71 0.902 13.066 -6.042 1.00 33.23 H new ATOM 0 HD21 LEU A 71 3.542 11.736 -5.172 1.00 41.15 H new ATOM 0 HD22 LEU A 71 2.897 13.224 -4.439 1.00 41.15 H new ATOM 0 HD23 LEU A 71 3.284 11.821 -3.413 1.00 41.15 H new ATOM 1129 N ASP A 72 2.326 12.617 -1.026 1.00 2.34 N ATOM 1130 CA ASP A 72 3.606 12.777 -0.329 1.00 1.21 C ATOM 1131 C ASP A 72 3.563 12.182 1.089 1.00 34.02 C ATOM 1132 O ASP A 72 4.607 11.869 1.665 1.00 50.33 O ATOM 1133 CB ASP A 72 4.011 14.253 -0.283 1.00 41.32 C ATOM 1134 CG ASP A 72 4.425 14.771 -1.648 1.00 3.10 C ATOM 1135 OD1 ASP A 72 5.623 14.659 -1.992 1.00 43.05 O ATOM 1136 OD2 ASP A 72 3.561 15.287 -2.384 1.00 10.44 O ATOM 0 H ASP A 72 1.799 13.482 -1.144 1.00 2.34 H new ATOM 0 HA ASP A 72 4.358 12.224 -0.892 1.00 1.21 H new ATOM 0 HB2 ASP A 72 3.177 14.846 0.092 1.00 41.32 H new ATOM 0 HB3 ASP A 72 4.835 14.381 0.419 1.00 41.32 H new ATOM 1141 N ARG A 73 2.362 12.034 1.652 1.00 30.32 N ATOM 1142 CA ARG A 73 2.194 11.365 2.952 1.00 20.21 C ATOM 1143 C ARG A 73 2.554 9.871 2.838 1.00 30.43 C ATOM 1144 O ARG A 73 3.345 9.336 3.627 1.00 74.40 O ATOM 1145 CB ARG A 73 0.749 11.535 3.461 1.00 52.32 C ATOM 1146 CG ARG A 73 0.517 10.983 4.867 1.00 11.42 C ATOM 1147 CD ARG A 73 -0.855 11.370 5.428 1.00 14.50 C ATOM 1148 NE ARG A 73 -1.973 10.750 4.709 1.00 40.45 N ATOM 1149 CZ ARG A 73 -2.898 10.015 5.281 1.00 31.33 C ATOM 1150 NH1 ARG A 73 -2.877 9.803 6.559 1.00 64.24 N ATOM 1151 NH2 ARG A 73 -3.874 9.532 4.581 1.00 1.40 N ATOM 0 H ARG A 73 1.493 12.365 1.234 1.00 30.32 H new ATOM 0 HA ARG A 73 2.870 11.829 3.671 1.00 20.21 H new ATOM 0 HB2 ARG A 73 0.493 12.595 3.451 1.00 52.32 H new ATOM 0 HB3 ARG A 73 0.070 11.037 2.769 1.00 52.32 H new ATOM 0 HG2 ARG A 73 0.605 9.897 4.847 1.00 11.42 H new ATOM 0 HG3 ARG A 73 1.296 11.354 5.533 1.00 11.42 H new ATOM 0 HD2 ARG A 73 -0.904 11.083 6.478 1.00 14.50 H new ATOM 0 HD3 ARG A 73 -0.963 12.454 5.388 1.00 14.50 H new ATOM 0 HE ARG A 73 -2.036 10.899 3.702 1.00 40.45 H new ATOM 0 HH11 ARG A 73 -2.137 10.209 7.131 1.00 64.24 H new ATOM 0 HH12 ARG A 73 -3.601 9.230 6.993 1.00 64.24 H new ATOM 0 HH21 ARG A 73 -3.927 9.722 3.580 1.00 1.40 H new ATOM 0 HH22 ARG A 73 -4.590 8.961 5.030 1.00 1.40 H new ATOM 1165 N GLN A 74 1.974 9.208 1.841 1.00 53.23 N ATOM 1166 CA GLN A 74 2.293 7.808 1.544 1.00 40.15 C ATOM 1167 C GLN A 74 3.764 7.666 1.126 1.00 73.41 C ATOM 1168 O GLN A 74 4.462 6.747 1.558 1.00 34.25 O ATOM 1169 CB GLN A 74 1.366 7.282 0.432 1.00 22.20 C ATOM 1170 CG GLN A 74 1.589 5.814 0.061 1.00 34.34 C ATOM 1171 CD GLN A 74 0.552 5.292 -0.926 1.00 63.11 C ATOM 1172 OE1 GLN A 74 0.015 6.039 -1.738 1.00 61.02 O ATOM 1173 NE2 GLN A 74 0.267 4.005 -0.875 1.00 35.35 N ATOM 0 H GLN A 74 1.276 9.618 1.220 1.00 53.23 H new ATOM 0 HA GLN A 74 2.135 7.215 2.445 1.00 40.15 H new ATOM 0 HB2 GLN A 74 0.331 7.410 0.748 1.00 22.20 H new ATOM 0 HB3 GLN A 74 1.505 7.894 -0.459 1.00 22.20 H new ATOM 0 HG2 GLN A 74 2.584 5.700 -0.369 1.00 34.34 H new ATOM 0 HG3 GLN A 74 1.561 5.207 0.966 1.00 34.34 H new ATOM 0 HE21 GLN A 74 0.729 3.407 -0.190 1.00 35.35 H new ATOM 0 HE22 GLN A 74 -0.415 3.608 -1.521 1.00 35.35 H new ATOM 1182 N LYS A 75 4.230 8.602 0.300 1.00 20.22 N ATOM 1183 CA LYS A 75 5.618 8.601 -0.178 1.00 4.31 C ATOM 1184 C LYS A 75 6.626 8.718 0.981 1.00 0.03 C ATOM 1185 O LYS A 75 7.565 7.931 1.069 1.00 61.03 O ATOM 1186 CB LYS A 75 5.842 9.754 -1.165 1.00 14.42 C ATOM 1187 CG LYS A 75 7.164 9.665 -1.928 1.00 5.01 C ATOM 1188 CD LYS A 75 7.467 10.953 -2.689 1.00 31.15 C ATOM 1189 CE LYS A 75 7.780 12.098 -1.735 1.00 45.12 C ATOM 1190 NZ LYS A 75 7.972 13.391 -2.441 1.00 43.42 N ATOM 0 H LYS A 75 3.667 9.375 -0.055 1.00 20.22 H new ATOM 0 HA LYS A 75 5.785 7.647 -0.679 1.00 4.31 H new ATOM 0 HB2 LYS A 75 5.020 9.772 -1.881 1.00 14.42 H new ATOM 0 HB3 LYS A 75 5.810 10.698 -0.620 1.00 14.42 H new ATOM 0 HG2 LYS A 75 7.974 9.457 -1.229 1.00 5.01 H new ATOM 0 HG3 LYS A 75 7.124 8.830 -2.628 1.00 5.01 H new ATOM 0 HD2 LYS A 75 8.313 10.793 -3.358 1.00 31.15 H new ATOM 0 HD3 LYS A 75 6.613 11.219 -3.312 1.00 31.15 H new ATOM 0 HE2 LYS A 75 6.968 12.198 -1.014 1.00 45.12 H new ATOM 0 HE3 LYS A 75 8.681 11.859 -1.169 1.00 45.12 H new ATOM 0 HZ1 LYS A 75 8.929 13.751 -2.252 1.00 43.42 H new ATOM 0 HZ2 LYS A 75 7.851 13.249 -3.464 1.00 43.42 H new ATOM 0 HZ3 LYS A 75 7.270 14.079 -2.102 1.00 43.42 H new ATOM 1204 N GLN A 76 6.424 9.699 1.867 1.00 45.22 N ATOM 1205 CA GLN A 76 7.360 9.943 2.979 1.00 20.10 C ATOM 1206 C GLN A 76 7.471 8.716 3.896 1.00 11.22 C ATOM 1207 O GLN A 76 8.550 8.395 4.398 1.00 41.35 O ATOM 1208 CB GLN A 76 6.936 11.175 3.799 1.00 24.33 C ATOM 1209 CG GLN A 76 5.691 10.965 4.659 1.00 13.40 C ATOM 1210 CD GLN A 76 5.285 12.207 5.429 1.00 54.42 C ATOM 1211 OE1 GLN A 76 4.490 13.016 4.962 1.00 52.13 O ATOM 1212 NE2 GLN A 76 5.834 12.375 6.613 1.00 14.02 N ATOM 0 H GLN A 76 5.627 10.335 1.840 1.00 45.22 H new ATOM 0 HA GLN A 76 8.339 10.135 2.541 1.00 20.10 H new ATOM 0 HB2 GLN A 76 7.763 11.468 4.445 1.00 24.33 H new ATOM 0 HB3 GLN A 76 6.755 12.005 3.117 1.00 24.33 H new ATOM 0 HG2 GLN A 76 4.864 10.654 4.021 1.00 13.40 H new ATOM 0 HG3 GLN A 76 5.875 10.153 5.362 1.00 13.40 H new ATOM 0 HE21 GLN A 76 6.492 11.683 6.973 1.00 14.02 H new ATOM 0 HE22 GLN A 76 5.602 13.197 7.171 1.00 14.02 H new ATOM 1221 N LYS A 77 6.348 8.036 4.119 1.00 44.34 N ATOM 1222 CA LYS A 77 6.353 6.788 4.886 1.00 22.33 C ATOM 1223 C LYS A 77 7.168 5.697 4.166 1.00 13.51 C ATOM 1224 O LYS A 77 7.827 4.874 4.805 1.00 74.55 O ATOM 1225 CB LYS A 77 4.915 6.313 5.123 1.00 51.45 C ATOM 1226 CG LYS A 77 4.127 7.170 6.114 1.00 73.53 C ATOM 1227 CD LYS A 77 4.648 7.010 7.544 1.00 24.43 C ATOM 1228 CE LYS A 77 3.864 7.858 8.542 1.00 33.13 C ATOM 1229 NZ LYS A 77 4.295 7.608 9.944 1.00 10.41 N ATOM 0 H LYS A 77 5.429 8.324 3.783 1.00 44.34 H new ATOM 0 HA LYS A 77 6.828 6.979 5.848 1.00 22.33 H new ATOM 0 HB2 LYS A 77 4.386 6.301 4.170 1.00 51.45 H new ATOM 0 HB3 LYS A 77 4.939 5.286 5.487 1.00 51.45 H new ATOM 0 HG2 LYS A 77 4.190 8.217 5.819 1.00 73.53 H new ATOM 0 HG3 LYS A 77 3.074 6.892 6.078 1.00 73.53 H new ATOM 0 HD2 LYS A 77 4.588 5.961 7.835 1.00 24.43 H new ATOM 0 HD3 LYS A 77 5.701 7.291 7.579 1.00 24.43 H new ATOM 0 HE2 LYS A 77 3.997 8.913 8.304 1.00 33.13 H new ATOM 0 HE3 LYS A 77 2.800 7.641 8.445 1.00 33.13 H new ATOM 0 HZ1 LYS A 77 3.458 7.475 10.546 1.00 10.41 H new ATOM 0 HZ2 LYS A 77 4.886 6.753 9.978 1.00 10.41 H new ATOM 0 HZ3 LYS A 77 4.843 8.422 10.289 1.00 10.41 H new ATOM 1243 N LEU A 78 7.128 5.713 2.833 1.00 42.15 N ATOM 1244 CA LEU A 78 7.883 4.758 2.008 1.00 34.53 C ATOM 1245 C LEU A 78 9.370 5.142 1.897 1.00 22.00 C ATOM 1246 O LEU A 78 10.234 4.273 1.759 1.00 73.10 O ATOM 1247 CB LEU A 78 7.249 4.658 0.616 1.00 1.14 C ATOM 1248 CG LEU A 78 5.842 4.035 0.593 1.00 42.34 C ATOM 1249 CD1 LEU A 78 5.214 4.156 -0.790 1.00 70.12 C ATOM 1250 CD2 LEU A 78 5.902 2.574 1.032 1.00 21.42 C ATOM 0 H LEU A 78 6.577 6.381 2.294 1.00 42.15 H new ATOM 0 HA LEU A 78 7.838 3.785 2.497 1.00 34.53 H new ATOM 0 HB2 LEU A 78 7.196 5.657 0.183 1.00 1.14 H new ATOM 0 HB3 LEU A 78 7.904 4.067 -0.025 1.00 1.14 H new ATOM 0 HG LEU A 78 5.214 4.583 1.295 1.00 42.34 H new ATOM 0 HD11 LEU A 78 4.220 3.708 -0.779 1.00 70.12 H new ATOM 0 HD12 LEU A 78 5.135 5.208 -1.063 1.00 70.12 H new ATOM 0 HD13 LEU A 78 5.837 3.638 -1.519 1.00 70.12 H new ATOM 0 HD21 LEU A 78 4.900 2.146 1.011 1.00 21.42 H new ATOM 0 HD22 LEU A 78 6.549 2.017 0.354 1.00 21.42 H new ATOM 0 HD23 LEU A 78 6.301 2.514 2.045 1.00 21.42 H new ATOM 1262 N GLU A 79 9.676 6.437 1.960 1.00 51.44 N ATOM 1263 CA GLU A 79 11.072 6.886 1.978 1.00 1.34 C ATOM 1264 C GLU A 79 11.744 6.490 3.298 1.00 62.25 C ATOM 1265 O GLU A 79 12.955 6.275 3.353 1.00 70.33 O ATOM 1266 CB GLU A 79 11.173 8.402 1.746 1.00 55.05 C ATOM 1267 CG GLU A 79 10.648 8.846 0.380 1.00 53.02 C ATOM 1268 CD GLU A 79 11.045 10.272 0.025 1.00 15.25 C ATOM 1269 OE1 GLU A 79 10.349 11.218 0.450 1.00 62.41 O ATOM 1270 OE2 GLU A 79 12.063 10.449 -0.682 1.00 2.33 O ATOM 0 H GLU A 79 8.987 7.188 1.999 1.00 51.44 H new ATOM 0 HA GLU A 79 11.597 6.392 1.161 1.00 1.34 H new ATOM 0 HB2 GLU A 79 10.615 8.919 2.527 1.00 55.05 H new ATOM 0 HB3 GLU A 79 12.215 8.708 1.843 1.00 55.05 H new ATOM 0 HG2 GLU A 79 11.025 8.168 -0.386 1.00 53.02 H new ATOM 0 HG3 GLU A 79 9.561 8.764 0.371 1.00 53.02 H new ATOM 1277 N ALA A 80 10.944 6.380 4.358 1.00 32.31 N ATOM 1278 CA ALA A 80 11.415 5.829 5.633 1.00 15.13 C ATOM 1279 C ALA A 80 11.737 4.330 5.495 1.00 61.34 C ATOM 1280 O ALA A 80 12.525 3.773 6.259 1.00 23.12 O ATOM 1281 CB ALA A 80 10.369 6.051 6.717 1.00 33.41 C ATOM 0 H ALA A 80 9.965 6.665 4.361 1.00 32.31 H new ATOM 0 HA ALA A 80 12.331 6.348 5.916 1.00 15.13 H new ATOM 0 HB1 ALA A 80 10.729 5.638 7.660 1.00 33.41 H new ATOM 0 HB2 ALA A 80 10.188 7.119 6.834 1.00 33.41 H new ATOM 0 HB3 ALA A 80 9.441 5.555 6.434 1.00 33.41 H new ATOM 1287 N GLU A 81 11.113 3.691 4.506 1.00 63.34 N ATOM 1288 CA GLU A 81 11.380 2.285 4.180 1.00 54.21 C ATOM 1289 C GLU A 81 12.636 2.143 3.301 1.00 70.21 C ATOM 1290 O GLU A 81 13.116 1.036 3.058 1.00 5.35 O ATOM 1291 CB GLU A 81 10.174 1.686 3.442 1.00 53.32 C ATOM 1292 CG GLU A 81 8.862 1.770 4.211 1.00 13.11 C ATOM 1293 CD GLU A 81 8.838 0.865 5.430 1.00 21.53 C ATOM 1294 OE1 GLU A 81 8.533 -0.329 5.268 1.00 43.24 O ATOM 1295 OE2 GLU A 81 9.120 1.340 6.547 1.00 51.23 O ATOM 0 H GLU A 81 10.411 4.128 3.909 1.00 63.34 H new ATOM 0 HA GLU A 81 11.551 1.750 5.114 1.00 54.21 H new ATOM 0 HB2 GLU A 81 10.056 2.199 2.488 1.00 53.32 H new ATOM 0 HB3 GLU A 81 10.383 0.640 3.217 1.00 53.32 H new ATOM 0 HG2 GLU A 81 8.695 2.800 4.525 1.00 13.11 H new ATOM 0 HG3 GLU A 81 8.039 1.502 3.548 1.00 13.11 H new ATOM 1302 N GLY A 82 13.159 3.273 2.827 1.00 72.10 N ATOM 1303 CA GLY A 82 14.321 3.261 1.942 1.00 2.10 C ATOM 1304 C GLY A 82 13.949 3.050 0.476 1.00 24.25 C ATOM 1305 O GLY A 82 14.780 2.629 -0.332 1.00 41.44 O ATOM 0 H GLY A 82 12.798 4.203 3.040 1.00 72.10 H new ATOM 0 HA2 GLY A 82 14.858 4.204 2.043 1.00 2.10 H new ATOM 0 HA3 GLY A 82 15.003 2.470 2.256 1.00 2.10 H new ATOM 1309 N ILE A 83 12.698 3.353 0.132 1.00 43.00 N ATOM 1310 CA ILE A 83 12.189 3.142 -1.228 1.00 75.01 C ATOM 1311 C ILE A 83 12.414 4.371 -2.128 1.00 65.12 C ATOM 1312 O ILE A 83 12.043 5.495 -1.775 1.00 34.40 O ATOM 1313 CB ILE A 83 10.675 2.789 -1.200 1.00 51.12 C ATOM 1314 CG1 ILE A 83 10.458 1.478 -0.424 1.00 54.43 C ATOM 1315 CG2 ILE A 83 10.105 2.683 -2.617 1.00 32.45 C ATOM 1316 CD1 ILE A 83 9.009 1.039 -0.338 1.00 63.45 C ATOM 0 H ILE A 83 12.014 3.747 0.777 1.00 43.00 H new ATOM 0 HA ILE A 83 12.750 2.308 -1.649 1.00 75.01 H new ATOM 0 HB ILE A 83 10.142 3.592 -0.692 1.00 51.12 H new ATOM 0 HG12 ILE A 83 11.038 0.687 -0.900 1.00 54.43 H new ATOM 0 HG13 ILE A 83 10.850 1.598 0.586 1.00 54.43 H new ATOM 0 HG21 ILE A 83 9.045 2.435 -2.565 1.00 32.45 H new ATOM 0 HG22 ILE A 83 10.230 3.636 -3.132 1.00 32.45 H new ATOM 0 HG23 ILE A 83 10.634 1.903 -3.164 1.00 32.45 H new ATOM 0 HD11 ILE A 83 8.944 0.108 0.224 1.00 63.45 H new ATOM 0 HD12 ILE A 83 8.425 1.809 0.166 1.00 63.45 H new ATOM 0 HD13 ILE A 83 8.615 0.884 -1.343 1.00 63.45 H new ATOM 1328 N GLU A 84 13.024 4.146 -3.296 1.00 52.42 N ATOM 1329 CA GLU A 84 13.237 5.213 -4.284 1.00 25.25 C ATOM 1330 C GLU A 84 11.949 5.501 -5.070 1.00 1.12 C ATOM 1331 O GLU A 84 11.620 4.801 -6.031 1.00 52.23 O ATOM 1332 CB GLU A 84 14.364 4.836 -5.262 1.00 51.02 C ATOM 1333 CG GLU A 84 15.722 4.641 -4.600 1.00 13.42 C ATOM 1334 CD GLU A 84 16.816 4.268 -5.594 1.00 73.15 C ATOM 1335 OE1 GLU A 84 17.441 5.180 -6.176 1.00 30.23 O ATOM 1336 OE2 GLU A 84 17.061 3.057 -5.792 1.00 71.50 O ATOM 0 H GLU A 84 13.380 3.234 -3.582 1.00 52.42 H new ATOM 0 HA GLU A 84 13.525 6.112 -3.739 1.00 25.25 H new ATOM 0 HB2 GLU A 84 14.089 3.917 -5.780 1.00 51.02 H new ATOM 0 HB3 GLU A 84 14.449 5.615 -6.019 1.00 51.02 H new ATOM 0 HG2 GLU A 84 16.004 5.558 -4.083 1.00 13.42 H new ATOM 0 HG3 GLU A 84 15.643 3.860 -3.843 1.00 13.42 H new ATOM 1343 N VAL A 85 11.212 6.523 -4.649 1.00 73.05 N ATOM 1344 CA VAL A 85 9.973 6.907 -5.325 1.00 1.45 C ATOM 1345 C VAL A 85 10.232 8.021 -6.345 1.00 64.22 C ATOM 1346 O VAL A 85 10.700 9.104 -5.989 1.00 43.25 O ATOM 1347 CB VAL A 85 8.894 7.381 -4.317 1.00 70.41 C ATOM 1348 CG1 VAL A 85 7.574 7.669 -5.034 1.00 31.32 C ATOM 1349 CG2 VAL A 85 8.699 6.343 -3.211 1.00 34.54 C ATOM 0 H VAL A 85 11.449 7.102 -3.843 1.00 73.05 H new ATOM 0 HA VAL A 85 9.604 6.020 -5.840 1.00 1.45 H new ATOM 0 HB VAL A 85 9.237 8.308 -3.857 1.00 70.41 H new ATOM 0 HG11 VAL A 85 6.831 8.000 -4.309 1.00 31.32 H new ATOM 0 HG12 VAL A 85 7.727 8.450 -5.779 1.00 31.32 H new ATOM 0 HG13 VAL A 85 7.222 6.762 -5.526 1.00 31.32 H new ATOM 0 HG21 VAL A 85 7.938 6.693 -2.513 1.00 34.54 H new ATOM 0 HG22 VAL A 85 8.380 5.398 -3.651 1.00 34.54 H new ATOM 0 HG23 VAL A 85 9.639 6.197 -2.679 1.00 34.54 H new ATOM 1359 N SER A 86 9.943 7.752 -7.616 1.00 50.20 N ATOM 1360 CA SER A 86 10.091 8.767 -8.667 1.00 62.24 C ATOM 1361 C SER A 86 9.177 9.965 -8.385 1.00 13.12 C ATOM 1362 O SER A 86 8.040 9.784 -7.946 1.00 22.02 O ATOM 1363 CB SER A 86 9.773 8.172 -10.042 1.00 1.32 C ATOM 1364 OG SER A 86 10.631 7.078 -10.343 1.00 2.20 O ATOM 0 H SER A 86 9.607 6.847 -7.946 1.00 50.20 H new ATOM 0 HA SER A 86 11.126 9.108 -8.669 1.00 62.24 H new ATOM 0 HB2 SER A 86 8.735 7.840 -10.066 1.00 1.32 H new ATOM 0 HB3 SER A 86 9.879 8.941 -10.807 1.00 1.32 H new ATOM 0 HG SER A 86 10.404 6.717 -11.225 1.00 2.20 H new ATOM 1370 N GLU A 87 9.675 11.174 -8.660 1.00 14.42 N ATOM 1371 CA GLU A 87 9.003 12.422 -8.252 1.00 35.34 C ATOM 1372 C GLU A 87 7.539 12.513 -8.729 1.00 20.44 C ATOM 1373 O GLU A 87 6.694 13.086 -8.035 1.00 73.41 O ATOM 1374 CB GLU A 87 9.801 13.638 -8.748 1.00 63.43 C ATOM 1375 CG GLU A 87 9.942 13.723 -10.265 1.00 21.43 C ATOM 1376 CD GLU A 87 10.872 14.842 -10.705 1.00 1.12 C ATOM 1377 OE1 GLU A 87 10.401 15.985 -10.882 1.00 73.03 O ATOM 1378 OE2 GLU A 87 12.084 14.585 -10.864 1.00 72.11 O ATOM 0 H GLU A 87 10.548 11.320 -9.167 1.00 14.42 H new ATOM 0 HA GLU A 87 8.972 12.417 -7.162 1.00 35.34 H new ATOM 0 HB2 GLU A 87 9.317 14.546 -8.389 1.00 63.43 H new ATOM 0 HB3 GLU A 87 10.796 13.610 -8.304 1.00 63.43 H new ATOM 0 HG2 GLU A 87 10.318 12.773 -10.645 1.00 21.43 H new ATOM 0 HG3 GLU A 87 8.959 13.877 -10.709 1.00 21.43 H new ATOM 1385 N ILE A 88 7.236 11.942 -9.896 1.00 23.52 N ATOM 1386 CA ILE A 88 5.862 11.960 -10.431 1.00 60.22 C ATOM 1387 C ILE A 88 4.937 10.965 -9.699 1.00 31.12 C ATOM 1388 O ILE A 88 3.740 10.889 -9.979 1.00 32.21 O ATOM 1389 CB ILE A 88 5.841 11.694 -11.967 1.00 4.20 C ATOM 1390 CG1 ILE A 88 6.523 10.352 -12.336 1.00 71.04 C ATOM 1391 CG2 ILE A 88 6.510 12.852 -12.706 1.00 32.43 C ATOM 1392 CD1 ILE A 88 5.653 9.122 -12.152 1.00 34.53 C ATOM 0 H ILE A 88 7.914 11.463 -10.489 1.00 23.52 H new ATOM 0 HA ILE A 88 5.475 12.963 -10.251 1.00 60.22 H new ATOM 0 HB ILE A 88 4.798 11.621 -12.275 1.00 4.20 H new ATOM 0 HG12 ILE A 88 6.845 10.399 -13.376 1.00 71.04 H new ATOM 0 HG13 ILE A 88 7.421 10.238 -11.729 1.00 71.04 H new ATOM 0 HG21 ILE A 88 6.491 12.658 -13.779 1.00 32.43 H new ATOM 0 HG22 ILE A 88 5.973 13.777 -12.495 1.00 32.43 H new ATOM 0 HG23 ILE A 88 7.543 12.948 -12.373 1.00 32.43 H new ATOM 0 HD11 ILE A 88 6.216 8.233 -12.435 1.00 34.53 H new ATOM 0 HD12 ILE A 88 5.351 9.043 -11.108 1.00 34.53 H new ATOM 0 HD13 ILE A 88 4.767 9.206 -12.781 1.00 34.53 H new ATOM 1404 N GLY A 89 5.508 10.213 -8.759 1.00 54.34 N ATOM 1405 CA GLY A 89 4.739 9.259 -7.962 1.00 60.44 C ATOM 1406 C GLY A 89 4.828 7.817 -8.463 1.00 52.40 C ATOM 1407 O GLY A 89 3.823 7.110 -8.498 1.00 2.30 O ATOM 0 H GLY A 89 6.502 10.246 -8.531 1.00 54.34 H new ATOM 0 HA2 GLY A 89 5.089 9.297 -6.931 1.00 60.44 H new ATOM 0 HA3 GLY A 89 3.693 9.567 -7.955 1.00 60.44 H new ATOM 1411 N LYS A 90 6.030 7.361 -8.828 1.00 1.24 N ATOM 1412 CA LYS A 90 6.204 5.990 -9.347 1.00 10.33 C ATOM 1413 C LYS A 90 7.073 5.126 -8.415 1.00 10.13 C ATOM 1414 O LYS A 90 8.161 5.533 -7.996 1.00 41.13 O ATOM 1415 CB LYS A 90 6.818 6.012 -10.756 1.00 15.01 C ATOM 1416 CG LYS A 90 6.962 4.627 -11.389 1.00 43.24 C ATOM 1417 CD LYS A 90 7.626 4.691 -12.764 1.00 43.31 C ATOM 1418 CE LYS A 90 7.764 3.308 -13.397 1.00 60.31 C ATOM 1419 NZ LYS A 90 8.578 2.385 -12.560 1.00 4.53 N ATOM 0 H LYS A 90 6.889 7.908 -8.777 1.00 1.24 H new ATOM 0 HA LYS A 90 5.211 5.542 -9.394 1.00 10.33 H new ATOM 0 HB2 LYS A 90 6.199 6.634 -11.402 1.00 15.01 H new ATOM 0 HB3 LYS A 90 7.800 6.483 -10.707 1.00 15.01 H new ATOM 0 HG2 LYS A 90 7.551 3.988 -10.732 1.00 43.24 H new ATOM 0 HG3 LYS A 90 5.978 4.167 -11.483 1.00 43.24 H new ATOM 0 HD2 LYS A 90 7.039 5.333 -13.421 1.00 43.31 H new ATOM 0 HD3 LYS A 90 8.612 5.147 -12.670 1.00 43.31 H new ATOM 0 HE2 LYS A 90 6.773 2.879 -13.549 1.00 60.31 H new ATOM 0 HE3 LYS A 90 8.224 3.405 -14.381 1.00 60.31 H new ATOM 0 HZ1 LYS A 90 8.802 1.528 -13.105 1.00 4.53 H new ATOM 0 HZ2 LYS A 90 9.461 2.858 -12.280 1.00 4.53 H new ATOM 0 HZ3 LYS A 90 8.041 2.123 -11.709 1.00 4.53 H new ATOM 1433 N ILE A 91 6.584 3.926 -8.108 1.00 15.03 N ATOM 1434 CA ILE A 91 7.292 2.975 -7.241 1.00 32.25 C ATOM 1435 C ILE A 91 7.605 1.671 -7.997 1.00 1.04 C ATOM 1436 O ILE A 91 6.696 0.947 -8.409 1.00 73.23 O ATOM 1437 CB ILE A 91 6.449 2.645 -5.987 1.00 32.31 C ATOM 1438 CG1 ILE A 91 6.030 3.943 -5.277 1.00 71.45 C ATOM 1439 CG2 ILE A 91 7.228 1.730 -5.036 1.00 74.22 C ATOM 1440 CD1 ILE A 91 5.066 3.733 -4.132 1.00 61.12 C ATOM 0 H ILE A 91 5.687 3.582 -8.451 1.00 15.03 H new ATOM 0 HA ILE A 91 8.227 3.444 -6.934 1.00 32.25 H new ATOM 0 HB ILE A 91 5.550 2.115 -6.300 1.00 32.31 H new ATOM 0 HG12 ILE A 91 6.922 4.443 -4.900 1.00 71.45 H new ATOM 0 HG13 ILE A 91 5.573 4.612 -6.006 1.00 71.45 H new ATOM 0 HG21 ILE A 91 6.617 1.510 -4.161 1.00 74.22 H new ATOM 0 HG22 ILE A 91 7.476 0.800 -5.548 1.00 74.22 H new ATOM 0 HG23 ILE A 91 8.146 2.228 -4.722 1.00 74.22 H new ATOM 0 HD11 ILE A 91 4.819 4.695 -3.683 1.00 61.12 H new ATOM 0 HD12 ILE A 91 4.156 3.262 -4.504 1.00 61.12 H new ATOM 0 HD13 ILE A 91 5.527 3.090 -3.382 1.00 61.12 H new ATOM 1452 N ALA A 92 8.889 1.380 -8.190 1.00 50.43 N ATOM 1453 CA ALA A 92 9.312 0.192 -8.945 1.00 60.32 C ATOM 1454 C ALA A 92 8.941 -1.123 -8.231 1.00 64.20 C ATOM 1455 O ALA A 92 9.694 -1.625 -7.391 1.00 3.31 O ATOM 1456 CB ALA A 92 10.813 0.246 -9.216 1.00 12.24 C ATOM 0 H ALA A 92 9.659 1.948 -7.836 1.00 50.43 H new ATOM 0 HA ALA A 92 8.773 0.203 -9.892 1.00 60.32 H new ATOM 0 HB1 ALA A 92 11.114 -0.640 -9.776 1.00 12.24 H new ATOM 0 HB2 ALA A 92 11.046 1.139 -9.796 1.00 12.24 H new ATOM 0 HB3 ALA A 92 11.353 0.277 -8.270 1.00 12.24 H new ATOM 1462 N LEU A 93 7.782 -1.684 -8.577 1.00 21.00 N ATOM 1463 CA LEU A 93 7.344 -2.967 -8.013 1.00 72.43 C ATOM 1464 C LEU A 93 8.385 -4.065 -8.256 1.00 0.44 C ATOM 1465 O LEU A 93 8.745 -4.797 -7.339 1.00 54.24 O ATOM 1466 CB LEU A 93 5.996 -3.395 -8.615 1.00 50.40 C ATOM 1467 CG LEU A 93 4.779 -2.571 -8.164 1.00 34.04 C ATOM 1468 CD1 LEU A 93 3.520 -3.024 -8.902 1.00 54.31 C ATOM 1469 CD2 LEU A 93 4.586 -2.682 -6.652 1.00 74.13 C ATOM 0 H LEU A 93 7.129 -1.273 -9.244 1.00 21.00 H new ATOM 0 HA LEU A 93 7.228 -2.828 -6.938 1.00 72.43 H new ATOM 0 HB2 LEU A 93 6.069 -3.339 -9.701 1.00 50.40 H new ATOM 0 HB3 LEU A 93 5.820 -4.440 -8.361 1.00 50.40 H new ATOM 0 HG LEU A 93 4.962 -1.525 -8.410 1.00 34.04 H new ATOM 0 HD11 LEU A 93 2.669 -2.429 -8.569 1.00 54.31 H new ATOM 0 HD12 LEU A 93 3.659 -2.890 -9.975 1.00 54.31 H new ATOM 0 HD13 LEU A 93 3.332 -4.076 -8.689 1.00 54.31 H new ATOM 0 HD21 LEU A 93 3.720 -2.092 -6.351 1.00 74.13 H new ATOM 0 HD22 LEU A 93 4.426 -3.726 -6.381 1.00 74.13 H new ATOM 0 HD23 LEU A 93 5.474 -2.307 -6.143 1.00 74.13 H new ATOM 1481 N ARG A 94 8.888 -4.146 -9.489 1.00 12.33 N ATOM 1482 CA ARG A 94 9.849 -5.193 -9.879 1.00 13.31 C ATOM 1483 C ARG A 94 11.042 -5.289 -8.905 1.00 54.01 C ATOM 1484 O ARG A 94 11.734 -6.307 -8.858 1.00 52.34 O ATOM 1485 CB ARG A 94 10.361 -4.943 -11.306 1.00 61.45 C ATOM 1486 CG ARG A 94 9.250 -4.828 -12.348 1.00 14.12 C ATOM 1487 CD ARG A 94 9.810 -4.762 -13.766 1.00 55.45 C ATOM 1488 NE ARG A 94 10.467 -6.009 -14.155 1.00 44.03 N ATOM 1489 CZ ARG A 94 10.888 -6.278 -15.360 1.00 44.52 C ATOM 1490 NH1 ARG A 94 10.808 -5.397 -16.306 1.00 34.33 N ATOM 1491 NH2 ARG A 94 11.409 -7.432 -15.615 1.00 71.15 N ATOM 0 H ARG A 94 8.648 -3.499 -10.241 1.00 12.33 H new ATOM 0 HA ARG A 94 9.317 -6.143 -9.840 1.00 13.31 H new ATOM 0 HB2 ARG A 94 10.951 -4.027 -11.315 1.00 61.45 H new ATOM 0 HB3 ARG A 94 11.030 -5.756 -11.590 1.00 61.45 H new ATOM 0 HG2 ARG A 94 8.580 -5.683 -12.261 1.00 14.12 H new ATOM 0 HG3 ARG A 94 8.656 -3.936 -12.150 1.00 14.12 H new ATOM 0 HD2 ARG A 94 9.002 -4.545 -14.465 1.00 55.45 H new ATOM 0 HD3 ARG A 94 10.522 -3.940 -13.836 1.00 55.45 H new ATOM 0 HE ARG A 94 10.606 -6.717 -13.434 1.00 44.03 H new ATOM 0 HH11 ARG A 94 10.411 -4.477 -16.114 1.00 34.33 H new ATOM 0 HH12 ARG A 94 11.142 -5.623 -17.243 1.00 34.33 H new ATOM 0 HH21 ARG A 94 11.490 -8.130 -14.875 1.00 71.15 H new ATOM 0 HH22 ARG A 94 11.739 -7.646 -16.556 1.00 71.15 H new ATOM 1505 N LYS A 95 11.277 -4.224 -8.138 1.00 54.01 N ATOM 1506 CA LYS A 95 12.337 -4.217 -7.127 1.00 15.33 C ATOM 1507 C LYS A 95 11.770 -4.316 -5.699 1.00 55.31 C ATOM 1508 O LYS A 95 12.361 -4.962 -4.831 1.00 62.33 O ATOM 1509 CB LYS A 95 13.179 -2.939 -7.258 1.00 53.35 C ATOM 1510 CG LYS A 95 14.318 -2.860 -6.246 1.00 31.14 C ATOM 1511 CD LYS A 95 15.141 -1.585 -6.396 1.00 31.12 C ATOM 1512 CE LYS A 95 16.301 -1.551 -5.405 1.00 52.34 C ATOM 1513 NZ LYS A 95 17.206 -2.719 -5.573 1.00 74.44 N ATOM 0 H LYS A 95 10.748 -3.354 -8.197 1.00 54.01 H new ATOM 0 HA LYS A 95 12.961 -5.093 -7.302 1.00 15.33 H new ATOM 0 HB2 LYS A 95 13.593 -2.887 -8.265 1.00 53.35 H new ATOM 0 HB3 LYS A 95 12.531 -2.071 -7.134 1.00 53.35 H new ATOM 0 HG2 LYS A 95 13.908 -2.908 -5.237 1.00 31.14 H new ATOM 0 HG3 LYS A 95 14.969 -3.726 -6.367 1.00 31.14 H new ATOM 0 HD2 LYS A 95 15.527 -1.517 -7.413 1.00 31.12 H new ATOM 0 HD3 LYS A 95 14.501 -0.717 -6.239 1.00 31.12 H new ATOM 0 HE2 LYS A 95 16.868 -0.630 -5.540 1.00 52.34 H new ATOM 0 HE3 LYS A 95 15.910 -1.538 -4.388 1.00 52.34 H new ATOM 0 HZ1 LYS A 95 18.113 -2.526 -5.103 1.00 74.44 H new ATOM 0 HZ2 LYS A 95 16.768 -3.561 -5.148 1.00 74.44 H new ATOM 0 HZ3 LYS A 95 17.370 -2.888 -6.586 1.00 74.44 H new ATOM 1527 N TYR A 96 10.625 -3.675 -5.459 1.00 54.45 N ATOM 1528 CA TYR A 96 10.071 -3.559 -4.100 1.00 54.35 C ATOM 1529 C TYR A 96 8.859 -4.475 -3.847 1.00 42.14 C ATOM 1530 O TYR A 96 8.159 -4.301 -2.852 1.00 4.45 O ATOM 1531 CB TYR A 96 9.675 -2.101 -3.825 1.00 32.50 C ATOM 1532 CG TYR A 96 10.837 -1.130 -3.900 1.00 22.31 C ATOM 1533 CD1 TYR A 96 11.779 -1.063 -2.881 1.00 72.42 C ATOM 1534 CD2 TYR A 96 10.990 -0.277 -4.988 1.00 23.51 C ATOM 1535 CE1 TYR A 96 12.834 -0.177 -2.944 1.00 71.35 C ATOM 1536 CE2 TYR A 96 12.044 0.610 -5.058 1.00 55.22 C ATOM 1537 CZ TYR A 96 12.963 0.656 -4.033 1.00 14.02 C ATOM 1538 OH TYR A 96 14.017 1.539 -4.098 1.00 10.13 O ATOM 0 H TYR A 96 10.061 -3.228 -6.182 1.00 54.45 H new ATOM 0 HA TYR A 96 10.857 -3.883 -3.418 1.00 54.35 H new ATOM 0 HB2 TYR A 96 8.913 -1.799 -4.544 1.00 32.50 H new ATOM 0 HB3 TYR A 96 9.223 -2.037 -2.835 1.00 32.50 H new ATOM 0 HD1 TYR A 96 11.684 -1.715 -2.026 1.00 72.42 H new ATOM 0 HD2 TYR A 96 10.270 -0.310 -5.793 1.00 23.51 H new ATOM 0 HE1 TYR A 96 13.556 -0.137 -2.142 1.00 71.35 H new ATOM 0 HE2 TYR A 96 12.148 1.264 -5.911 1.00 55.22 H new ATOM 0 HH TYR A 96 14.105 1.877 -5.014 1.00 10.13 H new ATOM 1548 N LYS A 97 8.613 -5.446 -4.725 1.00 4.13 N ATOM 1549 CA LYS A 97 7.495 -6.387 -4.529 1.00 32.13 C ATOM 1550 C LYS A 97 7.569 -7.118 -3.177 1.00 55.40 C ATOM 1551 O LYS A 97 8.642 -7.542 -2.738 1.00 70.34 O ATOM 1552 CB LYS A 97 7.433 -7.436 -5.653 1.00 23.13 C ATOM 1553 CG LYS A 97 6.732 -6.964 -6.924 1.00 40.41 C ATOM 1554 CD LYS A 97 6.538 -8.110 -7.911 1.00 11.50 C ATOM 1555 CE LYS A 97 5.662 -9.211 -7.320 1.00 22.30 C ATOM 1556 NZ LYS A 97 5.550 -10.388 -8.219 1.00 11.25 N ATOM 0 H LYS A 97 9.161 -5.607 -5.570 1.00 4.13 H new ATOM 0 HA LYS A 97 6.592 -5.776 -4.547 1.00 32.13 H new ATOM 0 HB2 LYS A 97 8.449 -7.740 -5.905 1.00 23.13 H new ATOM 0 HB3 LYS A 97 6.920 -8.321 -5.278 1.00 23.13 H new ATOM 0 HG2 LYS A 97 5.764 -6.534 -6.669 1.00 40.41 H new ATOM 0 HG3 LYS A 97 7.318 -6.174 -7.393 1.00 40.41 H new ATOM 0 HD2 LYS A 97 6.082 -7.731 -8.826 1.00 11.50 H new ATOM 0 HD3 LYS A 97 7.508 -8.523 -8.186 1.00 11.50 H new ATOM 0 HE2 LYS A 97 6.076 -9.527 -6.362 1.00 22.30 H new ATOM 0 HE3 LYS A 97 4.667 -8.813 -7.121 1.00 22.30 H new ATOM 0 HZ1 LYS A 97 4.946 -11.108 -7.774 1.00 11.25 H new ATOM 0 HZ2 LYS A 97 5.130 -10.095 -9.124 1.00 11.25 H new ATOM 0 HZ3 LYS A 97 6.496 -10.786 -8.389 1.00 11.25 H new ATOM 1570 N TRP A 98 6.417 -7.265 -2.530 1.00 71.33 N ATOM 1571 CA TRP A 98 6.315 -8.057 -1.307 1.00 43.24 C ATOM 1572 C TRP A 98 6.506 -9.550 -1.610 1.00 43.21 C ATOM 1573 O TRP A 98 5.701 -10.162 -2.315 1.00 74.33 O ATOM 1574 CB TRP A 98 4.956 -7.819 -0.626 1.00 41.52 C ATOM 1575 CG TRP A 98 4.670 -8.753 0.520 1.00 41.54 C ATOM 1576 CD1 TRP A 98 5.575 -9.301 1.384 1.00 62.51 C ATOM 1577 CD2 TRP A 98 3.386 -9.242 0.926 1.00 12.42 C ATOM 1578 NE1 TRP A 98 4.935 -10.103 2.293 1.00 42.13 N ATOM 1579 CE2 TRP A 98 3.591 -10.082 2.036 1.00 64.42 C ATOM 1580 CE3 TRP A 98 2.082 -9.055 0.458 1.00 23.02 C ATOM 1581 CZ2 TRP A 98 2.543 -10.727 2.686 1.00 50.44 C ATOM 1582 CZ3 TRP A 98 1.043 -9.696 1.104 1.00 24.45 C ATOM 1583 CH2 TRP A 98 1.279 -10.524 2.208 1.00 52.11 C ATOM 0 H TRP A 98 5.538 -6.845 -2.833 1.00 71.33 H new ATOM 0 HA TRP A 98 7.106 -7.741 -0.627 1.00 43.24 H new ATOM 0 HB2 TRP A 98 4.919 -6.792 -0.262 1.00 41.52 H new ATOM 0 HB3 TRP A 98 4.166 -7.922 -1.370 1.00 41.52 H new ATOM 0 HD1 TRP A 98 6.641 -9.128 1.355 1.00 62.51 H new ATOM 0 HE1 TRP A 98 5.387 -10.630 3.040 1.00 42.13 H new ATOM 0 HE3 TRP A 98 1.890 -8.420 -0.394 1.00 23.02 H new ATOM 0 HZ2 TRP A 98 2.722 -11.366 3.538 1.00 50.44 H new ATOM 0 HZ3 TRP A 98 0.032 -9.556 0.752 1.00 24.45 H new ATOM 0 HH2 TRP A 98 0.446 -11.012 2.691 1.00 52.11 H new ATOM 1594 N GLN A 99 7.583 -10.121 -1.079 1.00 74.23 N ATOM 1595 CA GLN A 99 7.853 -11.555 -1.210 1.00 35.23 C ATOM 1596 C GLN A 99 7.510 -12.308 0.093 1.00 22.53 C ATOM 1597 O GLN A 99 8.303 -12.341 1.034 1.00 21.13 O ATOM 1598 CB GLN A 99 9.325 -11.792 -1.595 1.00 10.11 C ATOM 1599 CG GLN A 99 10.329 -11.015 -0.743 1.00 14.25 C ATOM 1600 CD GLN A 99 11.774 -11.387 -1.043 1.00 72.23 C ATOM 1601 OE1 GLN A 99 12.343 -12.270 -0.411 1.00 44.35 O ATOM 1602 NE2 GLN A 99 12.376 -10.730 -2.015 1.00 14.31 N ATOM 0 H GLN A 99 8.290 -9.611 -0.549 1.00 74.23 H new ATOM 0 HA GLN A 99 7.216 -11.946 -2.003 1.00 35.23 H new ATOM 0 HB2 GLN A 99 9.543 -12.857 -1.513 1.00 10.11 H new ATOM 0 HB3 GLN A 99 9.464 -11.518 -2.641 1.00 10.11 H new ATOM 0 HG2 GLN A 99 10.192 -9.947 -0.912 1.00 14.25 H new ATOM 0 HG3 GLN A 99 10.123 -11.200 0.311 1.00 14.25 H new ATOM 0 HE21 GLN A 99 11.876 -10.000 -2.523 1.00 14.31 H new ATOM 0 HE22 GLN A 99 13.341 -10.952 -2.259 1.00 14.31 H new ATOM 1611 N PRO A 100 6.300 -12.895 0.179 1.00 51.23 N ATOM 1612 CA PRO A 100 5.895 -13.719 1.336 1.00 32.52 C ATOM 1613 C PRO A 100 6.615 -15.082 1.379 1.00 53.43 C ATOM 1614 O PRO A 100 6.507 -15.821 2.361 1.00 2.20 O ATOM 1615 CB PRO A 100 4.386 -13.901 1.117 1.00 31.43 C ATOM 1616 CG PRO A 100 4.214 -13.802 -0.362 1.00 23.44 C ATOM 1617 CD PRO A 100 5.219 -12.781 -0.820 1.00 44.43 C ATOM 0 HA PRO A 100 6.150 -13.249 2.286 1.00 32.52 H new ATOM 0 HB2 PRO A 100 4.043 -14.864 1.494 1.00 31.43 H new ATOM 0 HB3 PRO A 100 3.813 -13.133 1.637 1.00 31.43 H new ATOM 0 HG2 PRO A 100 4.388 -14.765 -0.842 1.00 23.44 H new ATOM 0 HG3 PRO A 100 3.200 -13.496 -0.619 1.00 23.44 H new ATOM 0 HD2 PRO A 100 5.578 -12.994 -1.827 1.00 44.43 H new ATOM 0 HD3 PRO A 100 4.793 -11.778 -0.839 1.00 44.43 H new