USER MOD reduce.3.24.130724 H: found=0, std=0, add=1497, rem=0, adj=50 USER MOD reduce.3.24.130724 removed 1498 hydrogens (22 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 191 GLC O2 : rot 126:sc= 0.56 USER MOD Set 1.2: A 192 BGC O3 : rot 178:sc= 0 USER MOD Set 2.1: A 73 TYR OH : rot 43:sc= 0.417 USER MOD Set 2.2: A 168 CYS SG : rot 77:sc= 0.907 USER MOD Set 3.1: A 166 LYS NZ :NH3+ -114:sc= 1.43 (180deg=-0.304) USER MOD Set 3.2: A 191 GLC O3 : rot -24:sc= 0.359 USER MOD Set 3.3: A 191 GLC O4 : rot 131:sc= 0.617 USER MOD Set 4.1: A 110 THR OG1 : rot -126:sc= 0.0661 USER MOD Set 4.2: A 113 LYS NZ :NH3+ -143:sc= -0.57 (180deg=-0.691) USER MOD Set 5.1: A 109 HIS : no HE2:sc= 0.231 K(o=0.3,f=-0.93) USER MOD Set 5.2: A 147 SER OG : rot 29:sc= 0.0649 USER MOD Set 6.1: A 15 ASN : amide:sc= -5.26! C(o=-4.7!,f=-7.2!) USER MOD Set 6.2: A 63 THR OG1 : rot -80:sc= 0.551 USER MOD Set 7.1: A 20 SER OG : rot -28:sc= -0.272 USER MOD Set 7.2: A 28 HIS : no HE2:sc= -1.38 K(o=-1.7,f=-2.5!) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 9 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.013) USER MOD Single : A 21 HIS : no HD1:sc= 0.782 K(o=0.78,f=-2.9!) USER MOD Single : A 25 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 29 TYR OH : rot 180:sc= -0.0811 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 SER OG : rot 50:sc= 0.367 USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ 168:sc= -0.0112 (180deg=-0.201) USER MOD Single : A 53 SER OG : rot 131:sc= 1.26 USER MOD Single : A 54 ASN : amide:sc= -1.03 X(o=-1,f=-0.79) USER MOD Single : A 58 GLN : amide:sc= -0.84 K(o=-0.84,f=-1.5) USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 GLN :FLIP amide:sc=-0.00966 F(o=-0.74,f=-0.0097) USER MOD Single : A 66 TYR OH : rot -5:sc= 0.0166 USER MOD Single : A 67 ASN : amide:sc= -0.397 K(o=-0.4,f=-3!) USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 TYR OH : rot 180:sc= -0.543 USER MOD Single : A 88 LYS NZ :NH3+ -153:sc= 0 (180deg=-0.54) USER MOD Single : A 93 TYR OH : rot 30:sc= 0 USER MOD Single : A 96 GLN : amide:sc= -0.693 K(o=-0.69,f=-2.3!) USER MOD Single : A 97 SER OG : rot 180:sc= -0.635 USER MOD Single : A 98 GLN : amide:sc= 0 X(o=0,f=-0.00027) USER MOD Single : A 99 GLN : amide:sc= -0.009 X(o=-0.009,f=-0.3) USER MOD Single : A 100 LYS NZ :NH3+ 151:sc= -0.616 (180deg=-0.928) USER MOD Single : A 107 ASN : amide:sc= -4.62! C(o=-4.6!,f=-7.6!) USER MOD Single : A 123 HIS : no HD1:sc= 0 X(o=0,f=-0.0002) USER MOD Single : A 124 SER OG : rot 180:sc= 0 USER MOD Single : A 125 THR OG1 : rot 180:sc= 0 USER MOD Single : A 127 HIS : no HD1:sc= 0 X(o=0,f=-0.12) USER MOD Single : A 134 SER OG : rot 108:sc= 0.948 USER MOD Single : A 136 LYS NZ :NH3+ 171:sc= -0.0176 (180deg=-0.141) USER MOD Single : A 137 LYS NZ :NH3+ -157:sc= -0.069 (180deg=-0.43) USER MOD Single : A 139 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 141 SER OG : rot 180:sc= 0 USER MOD Single : A 143 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 148 THR OG1 : rot 180:sc= 0 USER MOD Single : A 150 THR OG1 : rot 180:sc= 0 USER MOD Single : A 152 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 154 SER OG : rot 20:sc= 0.125 USER MOD Single : A 159 LYS NZ :NH3+ 140:sc= -0.277 (180deg=-0.998) USER MOD Single : A 161 TYR OH : rot 180:sc= 0 USER MOD Single : A 162 TYR OH : rot 180:sc= 0 USER MOD Single : A 164 ASN : amide:sc= -1.34 K(o=-1.3,f=-5.9!) USER MOD Single : A 173 MET CE :methyl 158:sc= -0.223 (180deg=-0.953) USER MOD Single : A 174 LYS NZ :NH3+ -162:sc= -0.136 (180deg=-0.547) USER MOD Single : A 176 THR OG1 : rot 180:sc= 0 USER MOD Single : A 182 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 184 GLN : amide:sc=-0.00138 X(o=-0.0014,f=0) USER MOD Single : A 186 HIS : no HE2:sc= 0.2 K(o=0.2,f=-2.1) USER MOD Single : A 191 GLC O6 : rot -15:sc= 0.309 USER MOD Single : A 192 BGC O1 : rot 180:sc= 0 USER MOD Single : A 192 BGC O2 : rot 180:sc= 0 USER MOD Single : A 192 BGC O6 : rot -12:sc= 0.313 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 16.402 -15.907 -6.473 1.00 8.93 N ATOM 2 CA GLY A 1 15.442 -16.768 -7.215 1.00 8.42 C ATOM 3 C GLY A 1 14.001 -16.486 -6.840 1.00 7.62 C ATOM 4 O GLY A 1 13.517 -15.365 -7.019 1.00 7.93 O ATOM 0 H1 GLY A 1 17.373 -16.138 -6.765 1.00 8.93 H new ATOM 0 H2 GLY A 1 16.206 -14.907 -6.683 1.00 8.93 H new ATOM 0 H3 GLY A 1 16.299 -16.072 -5.451 1.00 8.93 H new ATOM 0 HA2 GLY A 1 15.572 -16.613 -8.286 1.00 8.42 H new ATOM 0 HA3 GLY A 1 15.668 -17.815 -7.015 1.00 8.42 H new ATOM 10 N ALA A 2 13.308 -17.523 -6.310 1.00 6.82 N ATOM 11 CA ALA A 2 11.885 -17.419 -5.885 1.00 6.18 C ATOM 12 C ALA A 2 11.706 -17.475 -4.331 1.00 5.26 C ATOM 13 O ALA A 2 10.864 -16.751 -3.781 1.00 5.28 O ATOM 14 CB ALA A 2 11.030 -18.510 -6.584 1.00 6.51 C ATOM 0 H ALA A 2 13.712 -18.448 -6.165 1.00 6.82 H new ATOM 0 HA ALA A 2 11.532 -16.436 -6.197 1.00 6.18 H new ATOM 0 HB1 ALA A 2 9.992 -18.420 -6.263 1.00 6.51 H new ATOM 0 HB2 ALA A 2 11.088 -18.380 -7.665 1.00 6.51 H new ATOM 0 HB3 ALA A 2 11.409 -19.496 -6.316 1.00 6.51 H new ATOM 20 N MET A 3 12.512 -18.317 -3.626 1.00 4.80 N ATOM 21 CA MET A 3 12.433 -18.451 -2.160 1.00 4.18 C ATOM 22 C MET A 3 13.823 -18.301 -1.515 1.00 3.48 C ATOM 23 O MET A 3 14.664 -19.205 -1.602 1.00 3.94 O ATOM 24 CB MET A 3 11.822 -19.816 -1.770 1.00 4.96 C ATOM 25 CG MET A 3 10.357 -20.010 -2.191 1.00 5.72 C ATOM 26 SD MET A 3 9.737 -21.657 -1.792 1.00 6.64 S ATOM 27 CE MET A 3 8.103 -21.608 -2.528 1.00 7.64 C ATOM 0 H MET A 3 13.221 -18.909 -4.058 1.00 4.80 H new ATOM 0 HA MET A 3 11.789 -17.654 -1.789 1.00 4.18 H new ATOM 0 HB2 MET A 3 12.422 -20.608 -2.218 1.00 4.96 H new ATOM 0 HB3 MET A 3 11.893 -19.935 -0.689 1.00 4.96 H new ATOM 0 HG2 MET A 3 9.738 -19.262 -1.696 1.00 5.72 H new ATOM 0 HG3 MET A 3 10.265 -19.840 -3.264 1.00 5.72 H new ATOM 0 HE1 MET A 3 7.600 -22.560 -2.361 1.00 7.64 H new ATOM 0 HE2 MET A 3 7.523 -20.806 -2.072 1.00 7.64 H new ATOM 0 HE3 MET A 3 8.192 -21.428 -3.599 1.00 7.64 H new ATOM 37 N SER A 4 14.050 -17.143 -0.866 1.00 2.65 N ATOM 38 CA SER A 4 15.335 -16.848 -0.202 1.00 2.27 C ATOM 39 C SER A 4 15.145 -16.271 1.218 1.00 1.31 C ATOM 40 O SER A 4 15.485 -16.936 2.201 1.00 0.88 O ATOM 41 CB SER A 4 16.178 -15.882 -1.056 1.00 2.95 C ATOM 42 OG SER A 4 16.871 -16.571 -2.086 1.00 3.86 O ATOM 0 H SER A 4 13.360 -16.396 -0.787 1.00 2.65 H new ATOM 0 HA SER A 4 15.863 -17.796 -0.102 1.00 2.27 H new ATOM 0 HB2 SER A 4 15.531 -15.123 -1.496 1.00 2.95 H new ATOM 0 HB3 SER A 4 16.893 -15.361 -0.420 1.00 2.95 H new ATOM 0 HG SER A 4 17.396 -15.932 -2.612 1.00 3.86 H new ATOM 48 N GLY A 5 14.602 -15.041 1.317 1.00 1.11 N ATOM 49 CA GLY A 5 14.389 -14.408 2.615 1.00 0.31 C ATOM 50 C GLY A 5 13.714 -13.048 2.517 1.00 0.28 C ATOM 51 O GLY A 5 14.380 -12.033 2.306 1.00 0.31 O ATOM 0 H GLY A 5 14.309 -14.479 0.518 1.00 1.11 H new ATOM 0 HA2 GLY A 5 13.780 -15.065 3.236 1.00 0.31 H new ATOM 0 HA3 GLY A 5 15.349 -14.294 3.118 1.00 0.31 H new ATOM 55 N LEU A 6 12.373 -13.042 2.671 1.00 0.23 N ATOM 56 CA LEU A 6 11.537 -11.811 2.621 1.00 0.22 C ATOM 57 C LEU A 6 11.401 -11.106 4.012 1.00 0.17 C ATOM 58 O LEU A 6 11.597 -9.880 4.131 1.00 0.16 O ATOM 59 CB LEU A 6 10.157 -12.193 2.030 1.00 0.24 C ATOM 60 CG LEU A 6 9.226 -11.033 1.575 1.00 0.27 C ATOM 61 CD1 LEU A 6 9.891 -10.062 0.597 1.00 0.33 C ATOM 62 CD2 LEU A 6 7.921 -11.537 0.953 1.00 0.35 C ATOM 0 H LEU A 6 11.832 -13.891 2.834 1.00 0.23 H new ATOM 0 HA LEU A 6 12.028 -11.076 1.983 1.00 0.22 H new ATOM 0 HB2 LEU A 6 10.327 -12.844 1.173 1.00 0.24 H new ATOM 0 HB3 LEU A 6 9.622 -12.781 2.776 1.00 0.24 H new ATOM 0 HG LEU A 6 9.005 -10.494 2.496 1.00 0.27 H new ATOM 0 HD11 LEU A 6 9.183 -9.280 0.323 1.00 0.33 H new ATOM 0 HD12 LEU A 6 10.765 -9.612 1.069 1.00 0.33 H new ATOM 0 HD13 LEU A 6 10.200 -10.602 -0.298 1.00 0.33 H new ATOM 0 HD21 LEU A 6 7.309 -10.687 0.653 1.00 0.35 H new ATOM 0 HD22 LEU A 6 8.147 -12.148 0.079 1.00 0.35 H new ATOM 0 HD23 LEU A 6 7.377 -12.136 1.684 1.00 0.35 H new ATOM 74 N ALA A 7 11.061 -11.919 5.057 1.00 0.17 N ATOM 75 CA ALA A 7 10.934 -11.499 6.500 1.00 0.16 C ATOM 76 C ALA A 7 12.250 -10.914 7.150 1.00 0.15 C ATOM 77 O ALA A 7 12.185 -10.143 8.119 1.00 0.15 O ATOM 78 CB ALA A 7 10.433 -12.712 7.313 1.00 0.20 C ATOM 0 H ALA A 7 10.861 -12.910 4.922 1.00 0.17 H new ATOM 0 HA ALA A 7 10.226 -10.670 6.522 1.00 0.16 H new ATOM 0 HB1 ALA A 7 10.334 -12.431 8.362 1.00 0.20 H new ATOM 0 HB2 ALA A 7 9.464 -13.032 6.930 1.00 0.20 H new ATOM 0 HB3 ALA A 7 11.147 -13.530 7.223 1.00 0.20 H new ATOM 84 N ASP A 8 13.438 -11.269 6.575 1.00 0.16 N ATOM 85 CA ASP A 8 14.764 -10.786 7.042 1.00 0.18 C ATOM 86 C ASP A 8 15.195 -9.417 6.414 1.00 0.17 C ATOM 87 O ASP A 8 16.162 -8.809 6.879 1.00 0.21 O ATOM 88 CB ASP A 8 15.843 -11.843 6.752 1.00 0.21 C ATOM 89 CG ASP A 8 16.121 -12.757 7.940 1.00 0.26 C ATOM 90 OD1 ASP A 8 16.994 -12.412 8.765 1.00 0.32 O ATOM 91 OD2 ASP A 8 15.464 -13.816 8.043 1.00 0.31 O ATOM 0 H ASP A 8 13.497 -11.899 5.775 1.00 0.16 H new ATOM 0 HA ASP A 8 14.664 -10.622 8.115 1.00 0.18 H new ATOM 0 HB2 ASP A 8 15.530 -12.448 5.901 1.00 0.21 H new ATOM 0 HB3 ASP A 8 16.767 -11.341 6.464 1.00 0.21 H new ATOM 96 N LYS A 9 14.467 -8.943 5.362 1.00 0.14 N ATOM 97 CA LYS A 9 14.786 -7.657 4.698 1.00 0.14 C ATOM 98 C LYS A 9 13.751 -6.532 4.983 1.00 0.10 C ATOM 99 O LYS A 9 14.085 -5.364 4.770 1.00 0.10 O ATOM 100 CB LYS A 9 14.978 -7.810 3.164 1.00 0.19 C ATOM 101 CG LYS A 9 15.550 -9.176 2.717 1.00 0.32 C ATOM 102 CD LYS A 9 15.888 -9.240 1.200 1.00 0.92 C ATOM 103 CE LYS A 9 17.251 -8.612 0.849 1.00 1.20 C ATOM 104 NZ LYS A 9 17.554 -8.740 -0.603 1.00 1.73 N ATOM 0 H LYS A 9 13.665 -9.431 4.964 1.00 0.14 H new ATOM 0 HA LYS A 9 15.733 -7.353 5.144 1.00 0.14 H new ATOM 0 HB2 LYS A 9 14.016 -7.656 2.674 1.00 0.19 H new ATOM 0 HB3 LYS A 9 15.644 -7.021 2.814 1.00 0.19 H new ATOM 0 HG2 LYS A 9 16.452 -9.389 3.291 1.00 0.32 H new ATOM 0 HG3 LYS A 9 14.829 -9.958 2.954 1.00 0.32 H new ATOM 0 HD2 LYS A 9 15.882 -10.281 0.878 1.00 0.92 H new ATOM 0 HD3 LYS A 9 15.106 -8.729 0.639 1.00 0.92 H new ATOM 0 HE2 LYS A 9 17.251 -7.559 1.130 1.00 1.20 H new ATOM 0 HE3 LYS A 9 18.036 -9.096 1.430 1.00 1.20 H new ATOM 0 HZ1 LYS A 9 18.454 -8.263 -0.813 1.00 1.73 H new ATOM 0 HZ2 LYS A 9 17.629 -9.746 -0.855 1.00 1.73 H new ATOM 0 HZ3 LYS A 9 16.791 -8.300 -1.157 1.00 1.73 H new ATOM 118 N VAL A 10 12.482 -6.865 5.437 1.00 0.09 N ATOM 119 CA VAL A 10 11.430 -5.833 5.807 1.00 0.07 C ATOM 120 C VAL A 10 11.885 -4.762 6.906 1.00 0.06 C ATOM 121 O VAL A 10 12.543 -5.104 7.897 1.00 0.09 O ATOM 122 CB VAL A 10 10.035 -6.571 6.175 1.00 0.08 C ATOM 123 CG1 VAL A 10 10.007 -7.349 7.535 1.00 0.11 C ATOM 124 CG2 VAL A 10 8.799 -5.624 6.092 1.00 0.10 C ATOM 0 H VAL A 10 12.168 -7.828 5.554 1.00 0.09 H new ATOM 0 HA VAL A 10 11.277 -5.217 4.921 1.00 0.07 H new ATOM 0 HB VAL A 10 9.968 -7.326 5.392 1.00 0.08 H new ATOM 0 HG11 VAL A 10 9.025 -7.801 7.675 1.00 0.11 H new ATOM 0 HG12 VAL A 10 10.768 -8.129 7.523 1.00 0.11 H new ATOM 0 HG13 VAL A 10 10.208 -6.658 8.354 1.00 0.11 H new ATOM 0 HG21 VAL A 10 7.897 -6.179 6.350 1.00 0.10 H new ATOM 0 HG22 VAL A 10 8.927 -4.796 6.789 1.00 0.10 H new ATOM 0 HG23 VAL A 10 8.707 -5.233 5.078 1.00 0.10 H new ATOM 134 N ILE A 11 11.508 -3.488 6.673 1.00 0.06 N ATOM 135 CA ILE A 11 11.826 -2.394 7.632 1.00 0.07 C ATOM 136 C ILE A 11 10.560 -1.661 8.132 1.00 0.07 C ATOM 137 O ILE A 11 10.544 -1.170 9.265 1.00 0.08 O ATOM 138 CB ILE A 11 12.843 -1.310 7.085 1.00 0.10 C ATOM 139 CG1 ILE A 11 12.502 -0.871 5.617 1.00 0.10 C ATOM 140 CG2 ILE A 11 14.321 -1.807 7.220 1.00 0.13 C ATOM 141 CD1 ILE A 11 12.593 0.640 5.357 1.00 0.16 C ATOM 0 H ILE A 11 10.992 -3.188 5.846 1.00 0.06 H new ATOM 0 HA ILE A 11 12.309 -2.919 8.456 1.00 0.07 H new ATOM 0 HB ILE A 11 12.738 -0.420 7.706 1.00 0.10 H new ATOM 0 HG12 ILE A 11 13.178 -1.384 4.933 1.00 0.10 H new ATOM 0 HG13 ILE A 11 11.493 -1.206 5.378 1.00 0.10 H new ATOM 0 HG21 ILE A 11 14.998 -1.043 6.837 1.00 0.13 H new ATOM 0 HG22 ILE A 11 14.546 -1.998 8.269 1.00 0.13 H new ATOM 0 HG23 ILE A 11 14.450 -2.726 6.648 1.00 0.13 H new ATOM 0 HD11 ILE A 11 12.340 0.846 4.317 1.00 0.16 H new ATOM 0 HD12 ILE A 11 11.896 1.164 6.011 1.00 0.16 H new ATOM 0 HD13 ILE A 11 13.608 0.983 5.559 1.00 0.16 H new ATOM 153 N TRP A 12 9.499 -1.593 7.289 1.00 0.06 N ATOM 154 CA TRP A 12 8.259 -0.887 7.646 1.00 0.07 C ATOM 155 C TRP A 12 7.084 -1.330 6.737 1.00 0.08 C ATOM 156 O TRP A 12 7.115 -1.130 5.532 1.00 0.10 O ATOM 157 CB TRP A 12 8.548 0.625 7.527 1.00 0.10 C ATOM 158 CG TRP A 12 7.490 1.540 8.063 1.00 0.09 C ATOM 159 CD1 TRP A 12 7.406 2.106 9.304 1.00 0.19 C ATOM 160 CD2 TRP A 12 6.378 2.009 7.329 1.00 0.22 C ATOM 161 NE1 TRP A 12 6.293 2.906 9.374 1.00 0.26 N ATOM 162 CE2 TRP A 12 5.641 2.856 8.163 1.00 0.30 C ATOM 163 CE3 TRP A 12 5.945 1.778 6.032 1.00 0.35 C ATOM 164 CZ2 TRP A 12 4.484 3.479 7.729 1.00 0.44 C ATOM 165 CZ3 TRP A 12 4.815 2.383 5.590 1.00 0.51 C ATOM 166 CH2 TRP A 12 4.082 3.235 6.431 1.00 0.54 C ATOM 0 H TRP A 12 9.485 -2.019 6.362 1.00 0.06 H new ATOM 0 HA TRP A 12 7.953 -1.127 8.664 1.00 0.07 H new ATOM 0 HB2 TRP A 12 9.482 0.838 8.047 1.00 0.10 H new ATOM 0 HB3 TRP A 12 8.707 0.863 6.475 1.00 0.10 H new ATOM 0 HD1 TRP A 12 8.109 1.948 10.108 1.00 0.19 H new ATOM 0 HE1 TRP A 12 5.998 3.447 10.187 1.00 0.26 H new ATOM 0 HE3 TRP A 12 6.503 1.122 5.380 1.00 0.35 H new ATOM 0 HZ2 TRP A 12 3.918 4.130 8.379 1.00 0.44 H new ATOM 0 HZ3 TRP A 12 4.475 2.208 4.580 1.00 0.51 H new ATOM 0 HH2 TRP A 12 3.187 3.708 6.056 1.00 0.54 H new ATOM 177 N ALA A 13 6.035 -1.961 7.322 1.00 0.09 N ATOM 178 CA ALA A 13 4.831 -2.407 6.546 1.00 0.12 C ATOM 179 C ALA A 13 3.520 -2.114 7.314 1.00 0.16 C ATOM 180 O ALA A 13 3.431 -2.343 8.534 1.00 0.19 O ATOM 181 CB ALA A 13 4.902 -3.916 6.169 1.00 0.14 C ATOM 0 H ALA A 13 5.990 -2.175 8.318 1.00 0.09 H new ATOM 0 HA ALA A 13 4.830 -1.829 5.622 1.00 0.12 H new ATOM 0 HB1 ALA A 13 4.009 -4.193 5.608 1.00 0.14 H new ATOM 0 HB2 ALA A 13 5.786 -4.097 5.557 1.00 0.14 H new ATOM 0 HB3 ALA A 13 4.961 -4.516 7.077 1.00 0.14 H new ATOM 187 N VAL A 14 2.497 -1.577 6.604 1.00 0.20 N ATOM 188 CA VAL A 14 1.204 -1.270 7.257 1.00 0.26 C ATOM 189 C VAL A 14 -0.052 -1.417 6.322 1.00 0.27 C ATOM 190 O VAL A 14 -0.021 -1.123 5.122 1.00 0.28 O ATOM 191 CB VAL A 14 1.260 0.124 8.091 1.00 0.34 C ATOM 192 CG1 VAL A 14 1.215 1.421 7.260 1.00 0.80 C ATOM 193 CG2 VAL A 14 0.178 0.219 9.187 1.00 1.05 C ATOM 0 H VAL A 14 2.539 -1.354 5.610 1.00 0.20 H new ATOM 0 HA VAL A 14 1.050 -2.057 7.995 1.00 0.26 H new ATOM 0 HB VAL A 14 2.254 0.065 8.535 1.00 0.34 H new ATOM 0 HG11 VAL A 14 1.259 2.282 7.927 1.00 0.80 H new ATOM 0 HG12 VAL A 14 2.065 1.446 6.579 1.00 0.80 H new ATOM 0 HG13 VAL A 14 0.289 1.453 6.686 1.00 0.80 H new ATOM 0 HG21 VAL A 14 0.269 1.173 9.707 1.00 1.05 H new ATOM 0 HG22 VAL A 14 -0.809 0.148 8.731 1.00 1.05 H new ATOM 0 HG23 VAL A 14 0.309 -0.596 9.899 1.00 1.05 H new ATOM 203 N ASN A 15 -1.164 -1.849 6.954 1.00 0.33 N ATOM 204 CA ASN A 15 -2.459 -1.955 6.265 1.00 0.43 C ATOM 205 C ASN A 15 -3.443 -0.982 6.941 1.00 0.46 C ATOM 206 O ASN A 15 -3.905 -1.230 8.058 1.00 0.55 O ATOM 207 CB ASN A 15 -3.001 -3.416 6.209 1.00 0.56 C ATOM 208 CG ASN A 15 -4.161 -3.666 5.248 1.00 1.40 C ATOM 209 OD1 ASN A 15 -4.940 -4.561 5.477 1.00 2.05 O ATOM 210 ND2 ASN A 15 -4.298 -2.870 4.212 1.00 2.11 N ATOM 0 H ASN A 15 -1.187 -2.128 7.935 1.00 0.33 H new ATOM 0 HA ASN A 15 -2.332 -1.675 5.219 1.00 0.43 H new ATOM 0 HB2 ASN A 15 -2.179 -4.077 5.934 1.00 0.56 H new ATOM 0 HB3 ASN A 15 -3.318 -3.703 7.212 1.00 0.56 H new ATOM 0 HD21 ASN A 15 -5.081 -2.998 3.571 1.00 2.11 H new ATOM 0 HD22 ASN A 15 -3.621 -2.124 4.049 1.00 2.11 H new ATOM 217 N ALA A 16 -3.766 0.125 6.222 1.00 0.47 N ATOM 218 CA ALA A 16 -4.699 1.167 6.702 1.00 0.54 C ATOM 219 C ALA A 16 -6.176 0.709 6.589 1.00 0.58 C ATOM 220 O ALA A 16 -6.778 0.634 5.475 1.00 0.63 O ATOM 221 CB ALA A 16 -4.459 2.506 5.972 1.00 0.59 C ATOM 0 H ALA A 16 -3.385 0.316 5.295 1.00 0.47 H new ATOM 0 HA ALA A 16 -4.497 1.328 7.761 1.00 0.54 H new ATOM 0 HB1 ALA A 16 -5.159 3.254 6.345 1.00 0.59 H new ATOM 0 HB2 ALA A 16 -3.438 2.842 6.154 1.00 0.59 H new ATOM 0 HB3 ALA A 16 -4.611 2.369 4.901 1.00 0.59 H new ATOM 227 N GLY A 17 -6.670 0.323 7.788 1.00 0.58 N ATOM 228 CA GLY A 17 -8.023 -0.158 7.995 1.00 0.61 C ATOM 229 C GLY A 17 -8.228 -1.097 9.194 1.00 0.62 C ATOM 230 O GLY A 17 -9.365 -1.512 9.436 1.00 0.71 O ATOM 0 H GLY A 17 -6.116 0.344 8.644 1.00 0.58 H new ATOM 0 HA2 GLY A 17 -8.679 0.704 8.117 1.00 0.61 H new ATOM 0 HA3 GLY A 17 -8.345 -0.678 7.093 1.00 0.61 H new ATOM 234 N GLY A 18 -7.160 -1.439 9.945 1.00 0.72 N ATOM 235 CA GLY A 18 -7.326 -2.331 11.103 1.00 0.73 C ATOM 236 C GLY A 18 -6.202 -2.256 12.132 1.00 0.68 C ATOM 237 O GLY A 18 -5.683 -1.172 12.428 1.00 0.80 O ATOM 0 H GLY A 18 -6.205 -1.122 9.776 1.00 0.72 H new ATOM 0 HA2 GLY A 18 -8.268 -2.092 11.596 1.00 0.73 H new ATOM 0 HA3 GLY A 18 -7.405 -3.358 10.745 1.00 0.73 H new ATOM 241 N GLU A 19 -5.832 -3.433 12.693 1.00 0.59 N ATOM 242 CA GLU A 19 -4.763 -3.519 13.696 1.00 0.60 C ATOM 243 C GLU A 19 -3.978 -4.843 13.609 1.00 0.54 C ATOM 244 O GLU A 19 -4.527 -5.923 13.849 1.00 0.65 O ATOM 245 CB GLU A 19 -5.327 -3.374 15.130 1.00 0.77 C ATOM 246 CG GLU A 19 -5.799 -1.964 15.513 1.00 1.43 C ATOM 247 CD GLU A 19 -6.376 -1.909 16.915 1.00 1.39 C ATOM 248 OE1 GLU A 19 -7.590 -2.161 17.069 1.00 1.50 O ATOM 249 OE2 GLU A 19 -5.615 -1.614 17.860 1.00 1.63 O ATOM 0 H GLU A 19 -6.262 -4.329 12.463 1.00 0.59 H new ATOM 0 HA GLU A 19 -4.083 -2.695 13.478 1.00 0.60 H new ATOM 0 HB2 GLU A 19 -6.164 -4.062 15.244 1.00 0.77 H new ATOM 0 HB3 GLU A 19 -4.559 -3.686 15.838 1.00 0.77 H new ATOM 0 HG2 GLU A 19 -4.961 -1.271 15.440 1.00 1.43 H new ATOM 0 HG3 GLU A 19 -6.552 -1.629 14.800 1.00 1.43 H new ATOM 256 N SER A 20 -2.661 -4.695 13.287 1.00 0.48 N ATOM 257 CA SER A 20 -1.582 -5.754 13.168 1.00 0.45 C ATOM 258 C SER A 20 -1.910 -7.191 12.609 1.00 0.43 C ATOM 259 O SER A 20 -2.749 -7.908 13.163 1.00 0.51 O ATOM 260 CB SER A 20 -0.895 -5.942 14.524 1.00 0.52 C ATOM 261 OG SER A 20 0.197 -5.050 14.681 1.00 1.00 O ATOM 0 H SER A 20 -2.284 -3.769 13.086 1.00 0.48 H new ATOM 0 HA SER A 20 -0.971 -5.318 12.378 1.00 0.45 H new ATOM 0 HB2 SER A 20 -1.617 -5.780 15.324 1.00 0.52 H new ATOM 0 HB3 SER A 20 -0.543 -6.970 14.616 1.00 0.52 H new ATOM 0 HG SER A 20 0.566 -4.826 13.801 1.00 1.00 H new ATOM 267 N HIS A 21 -1.196 -7.609 11.533 1.00 0.39 N ATOM 268 CA HIS A 21 -1.348 -8.989 10.960 1.00 0.40 C ATOM 269 C HIS A 21 -0.072 -9.446 10.222 1.00 0.40 C ATOM 270 O HIS A 21 0.646 -8.651 9.625 1.00 0.41 O ATOM 271 CB HIS A 21 -2.592 -9.093 10.019 1.00 0.43 C ATOM 272 CG HIS A 21 -2.674 -10.303 9.083 1.00 0.41 C ATOM 273 ND1 HIS A 21 -3.280 -11.491 9.428 1.00 0.39 N ATOM 274 CD2 HIS A 21 -2.226 -10.493 7.801 1.00 0.45 C ATOM 275 CE1 HIS A 21 -3.195 -12.330 8.405 1.00 0.40 C ATOM 276 NE2 HIS A 21 -2.571 -11.746 7.425 1.00 0.43 N ATOM 0 H HIS A 21 -0.516 -7.026 11.044 1.00 0.39 H new ATOM 0 HA HIS A 21 -1.508 -9.661 11.804 1.00 0.40 H new ATOM 0 HB2 HIS A 21 -3.486 -9.089 10.642 1.00 0.43 H new ATOM 0 HB3 HIS A 21 -2.627 -8.192 9.407 1.00 0.43 H new ATOM 0 HD2 HIS A 21 -1.693 -9.772 7.199 1.00 0.45 H new ATOM 0 HE1 HIS A 21 -3.582 -13.338 8.388 1.00 0.40 H new ATOM 0 HE2 HIS A 21 -2.373 -12.166 6.517 1.00 0.43 H new ATOM 285 N VAL A 22 0.153 -10.770 10.228 1.00 0.41 N ATOM 286 CA VAL A 22 1.315 -11.387 9.537 1.00 0.43 C ATOM 287 C VAL A 22 0.877 -12.209 8.307 1.00 0.44 C ATOM 288 O VAL A 22 0.024 -13.099 8.388 1.00 0.48 O ATOM 289 CB VAL A 22 2.294 -12.315 10.399 1.00 0.49 C ATOM 290 CG1 VAL A 22 3.656 -11.649 10.639 1.00 1.38 C ATOM 291 CG2 VAL A 22 1.748 -12.834 11.756 1.00 1.39 C ATOM 0 H VAL A 22 -0.451 -11.441 10.702 1.00 0.41 H new ATOM 0 HA VAL A 22 1.893 -10.501 9.275 1.00 0.43 H new ATOM 0 HB VAL A 22 2.392 -13.194 9.762 1.00 0.49 H new ATOM 0 HG11 VAL A 22 4.288 -12.314 11.228 1.00 1.38 H new ATOM 0 HG12 VAL A 22 4.136 -11.446 9.681 1.00 1.38 H new ATOM 0 HG13 VAL A 22 3.513 -10.713 11.178 1.00 1.38 H new ATOM 0 HG21 VAL A 22 2.505 -13.450 12.241 1.00 1.39 H new ATOM 0 HG22 VAL A 22 1.503 -11.987 12.397 1.00 1.39 H new ATOM 0 HG23 VAL A 22 0.852 -13.430 11.584 1.00 1.39 H new ATOM 301 N ASP A 23 1.532 -11.895 7.180 1.00 0.41 N ATOM 302 CA ASP A 23 1.324 -12.564 5.875 1.00 0.44 C ATOM 303 C ASP A 23 2.214 -13.847 5.779 1.00 0.43 C ATOM 304 O ASP A 23 3.285 -13.903 6.393 1.00 0.41 O ATOM 305 CB ASP A 23 1.617 -11.488 4.775 1.00 0.49 C ATOM 306 CG ASP A 23 1.572 -11.907 3.290 1.00 1.04 C ATOM 307 OD1 ASP A 23 2.509 -12.599 2.839 1.00 1.46 O ATOM 308 OD2 ASP A 23 0.597 -11.546 2.599 1.00 1.85 O ATOM 0 H ASP A 23 2.235 -11.157 7.143 1.00 0.41 H new ATOM 0 HA ASP A 23 0.305 -12.926 5.741 1.00 0.44 H new ATOM 0 HB2 ASP A 23 0.903 -10.676 4.910 1.00 0.49 H new ATOM 0 HB3 ASP A 23 2.607 -11.077 4.972 1.00 0.49 H new ATOM 313 N VAL A 24 1.730 -14.821 4.947 1.00 0.47 N ATOM 314 CA VAL A 24 2.332 -16.216 4.681 1.00 0.50 C ATOM 315 C VAL A 24 3.888 -16.346 4.455 1.00 0.47 C ATOM 316 O VAL A 24 4.444 -17.429 4.661 1.00 0.51 O ATOM 317 CB VAL A 24 1.577 -17.033 3.511 1.00 0.57 C ATOM 318 CG1 VAL A 24 0.288 -17.711 4.015 1.00 0.72 C ATOM 319 CG2 VAL A 24 1.210 -16.196 2.248 1.00 0.58 C ATOM 0 H VAL A 24 0.875 -14.673 4.410 1.00 0.47 H new ATOM 0 HA VAL A 24 2.151 -16.661 5.660 1.00 0.50 H new ATOM 0 HB VAL A 24 2.319 -17.774 3.214 1.00 0.57 H new ATOM 0 HG11 VAL A 24 -0.186 -18.249 3.193 1.00 0.72 H new ATOM 0 HG12 VAL A 24 0.534 -18.411 4.813 1.00 0.72 H new ATOM 0 HG13 VAL A 24 -0.397 -16.953 4.395 1.00 0.72 H new ATOM 0 HG21 VAL A 24 0.707 -16.835 1.522 1.00 0.58 H new ATOM 0 HG22 VAL A 24 0.547 -15.379 2.533 1.00 0.58 H new ATOM 0 HG23 VAL A 24 2.119 -15.788 1.805 1.00 0.58 H new ATOM 329 N HIS A 25 4.560 -15.257 4.042 1.00 0.42 N ATOM 330 CA HIS A 25 6.036 -15.235 3.865 1.00 0.40 C ATOM 331 C HIS A 25 6.749 -14.699 5.149 1.00 0.36 C ATOM 332 O HIS A 25 7.932 -14.961 5.375 1.00 0.39 O ATOM 333 CB HIS A 25 6.411 -14.357 2.664 1.00 0.38 C ATOM 334 CG HIS A 25 5.696 -14.712 1.386 1.00 0.42 C ATOM 335 ND1 HIS A 25 5.846 -15.927 0.750 1.00 0.45 N ATOM 336 CD2 HIS A 25 4.808 -14.009 0.637 1.00 0.48 C ATOM 337 CE1 HIS A 25 5.083 -15.957 -0.329 1.00 0.49 C ATOM 338 NE2 HIS A 25 4.443 -14.806 -0.419 1.00 0.51 N ATOM 0 H HIS A 25 4.106 -14.370 3.821 1.00 0.42 H new ATOM 0 HA HIS A 25 6.368 -16.258 3.686 1.00 0.40 H new ATOM 0 HB2 HIS A 25 6.197 -13.317 2.909 1.00 0.38 H new ATOM 0 HB3 HIS A 25 7.486 -14.430 2.497 1.00 0.38 H new ATOM 0 HD2 HIS A 25 4.454 -13.008 0.836 1.00 0.48 H new ATOM 0 HE1 HIS A 25 4.998 -16.783 -1.020 1.00 0.49 H new ATOM 0 HE2 HIS A 25 3.784 -14.550 -1.154 1.00 0.51 H new ATOM 347 N GLY A 26 5.973 -13.950 5.966 1.00 0.34 N ATOM 348 CA GLY A 26 6.420 -13.377 7.227 1.00 0.32 C ATOM 349 C GLY A 26 6.484 -11.851 7.240 1.00 0.27 C ATOM 350 O GLY A 26 7.401 -11.274 7.827 1.00 0.26 O ATOM 0 H GLY A 26 5.001 -13.731 5.749 1.00 0.34 H new ATOM 0 HA2 GLY A 26 5.749 -13.707 8.020 1.00 0.32 H new ATOM 0 HA3 GLY A 26 7.409 -13.772 7.461 1.00 0.32 H new ATOM 354 N ILE A 27 5.489 -11.194 6.602 1.00 0.26 N ATOM 355 CA ILE A 27 5.432 -9.712 6.553 1.00 0.23 C ATOM 356 C ILE A 27 4.305 -9.206 7.519 1.00 0.26 C ATOM 357 O ILE A 27 3.123 -9.495 7.329 1.00 0.33 O ATOM 358 CB ILE A 27 5.314 -9.195 5.031 1.00 0.22 C ATOM 359 CG1 ILE A 27 6.596 -9.531 4.164 1.00 0.18 C ATOM 360 CG2 ILE A 27 4.997 -7.671 4.837 1.00 0.26 C ATOM 361 CD1 ILE A 27 7.991 -9.220 4.723 1.00 0.55 C ATOM 0 H ILE A 27 4.721 -11.659 6.118 1.00 0.26 H new ATOM 0 HA ILE A 27 6.361 -9.274 6.917 1.00 0.23 H new ATOM 0 HB ILE A 27 4.446 -9.754 4.683 1.00 0.22 H new ATOM 0 HG12 ILE A 27 6.566 -10.597 3.936 1.00 0.18 H new ATOM 0 HG13 ILE A 27 6.498 -9.000 3.217 1.00 0.18 H new ATOM 0 HG21 ILE A 27 4.942 -7.443 3.772 1.00 0.26 H new ATOM 0 HG22 ILE A 27 4.043 -7.435 5.308 1.00 0.26 H new ATOM 0 HG23 ILE A 27 5.785 -7.074 5.296 1.00 0.26 H new ATOM 0 HD11 ILE A 27 8.748 -9.515 3.997 1.00 0.55 H new ATOM 0 HD12 ILE A 27 8.074 -8.151 4.920 1.00 0.55 H new ATOM 0 HD13 ILE A 27 8.143 -9.773 5.650 1.00 0.55 H new ATOM 373 N HIS A 28 4.712 -8.398 8.514 1.00 0.25 N ATOM 374 CA HIS A 28 3.800 -7.876 9.551 1.00 0.30 C ATOM 375 C HIS A 28 3.342 -6.416 9.316 1.00 0.28 C ATOM 376 O HIS A 28 4.156 -5.517 9.087 1.00 0.28 O ATOM 377 CB HIS A 28 4.509 -7.969 10.912 1.00 0.40 C ATOM 378 CG HIS A 28 3.608 -8.058 12.122 1.00 0.63 C ATOM 379 ND1 HIS A 28 3.629 -9.131 12.988 1.00 0.93 N ATOM 380 CD2 HIS A 28 2.661 -7.214 12.603 1.00 0.96 C ATOM 381 CE1 HIS A 28 2.734 -8.949 13.938 1.00 1.30 C ATOM 382 NE2 HIS A 28 2.134 -7.793 13.732 1.00 1.34 N ATOM 0 H HIS A 28 5.678 -8.089 8.623 1.00 0.25 H new ATOM 0 HA HIS A 28 2.897 -8.486 9.515 1.00 0.30 H new ATOM 0 HB2 HIS A 28 5.159 -8.844 10.902 1.00 0.40 H new ATOM 0 HB3 HIS A 28 5.152 -7.096 11.025 1.00 0.40 H new ATOM 0 HD1 HIS A 28 4.243 -9.941 12.906 1.00 0.93 H new ATOM 0 HD2 HIS A 28 2.375 -6.264 12.177 1.00 0.96 H new ATOM 0 HE1 HIS A 28 2.527 -9.632 14.749 1.00 1.30 H new ATOM 391 N TYR A 29 2.007 -6.212 9.417 1.00 0.33 N ATOM 392 CA TYR A 29 1.373 -4.881 9.283 1.00 0.38 C ATOM 393 C TYR A 29 1.135 -4.247 10.678 1.00 0.45 C ATOM 394 O TYR A 29 0.734 -4.937 11.619 1.00 0.46 O ATOM 395 CB TYR A 29 0.102 -5.012 8.364 1.00 0.45 C ATOM 396 CG TYR A 29 -1.342 -4.880 8.928 1.00 0.98 C ATOM 397 CD1 TYR A 29 -1.793 -3.772 9.648 1.00 1.31 C ATOM 398 CD2 TYR A 29 -2.280 -5.859 8.641 1.00 1.34 C ATOM 399 CE1 TYR A 29 -3.119 -3.679 10.069 1.00 1.91 C ATOM 400 CE2 TYR A 29 -3.594 -5.763 9.042 1.00 1.91 C ATOM 401 CZ TYR A 29 -4.006 -4.687 9.750 1.00 2.21 C ATOM 402 OH TYR A 29 -5.319 -4.613 10.114 1.00 2.79 O ATOM 0 H TYR A 29 1.341 -6.965 9.593 1.00 0.33 H new ATOM 0 HA TYR A 29 2.031 -4.172 8.781 1.00 0.38 H new ATOM 0 HB2 TYR A 29 0.203 -4.262 7.580 1.00 0.45 H new ATOM 0 HB3 TYR A 29 0.163 -5.987 7.881 1.00 0.45 H new ATOM 0 HD1 TYR A 29 -1.104 -2.974 9.883 1.00 1.31 H new ATOM 0 HD2 TYR A 29 -1.969 -6.729 8.082 1.00 1.34 H new ATOM 0 HE1 TYR A 29 -3.450 -2.824 10.641 1.00 1.91 H new ATOM 0 HE2 TYR A 29 -4.294 -6.546 8.791 1.00 1.91 H new ATOM 0 HH TYR A 29 -5.791 -5.413 9.802 1.00 2.79 H new ATOM 412 N ARG A 30 1.368 -2.915 10.778 1.00 0.54 N ATOM 413 CA ARG A 30 1.262 -2.167 12.060 1.00 0.63 C ATOM 414 C ARG A 30 -0.173 -1.702 12.460 1.00 0.91 C ATOM 415 O ARG A 30 -1.145 -1.851 11.721 1.00 1.87 O ATOM 416 CB ARG A 30 2.241 -0.967 12.055 1.00 0.72 C ATOM 417 CG ARG A 30 3.730 -1.353 12.226 1.00 0.68 C ATOM 418 CD ARG A 30 4.668 -0.137 12.179 1.00 0.87 C ATOM 419 NE ARG A 30 6.062 -0.522 12.390 1.00 1.70 N ATOM 420 CZ ARG A 30 7.056 0.351 12.547 1.00 2.08 C ATOM 421 NH1 ARG A 30 6.813 1.655 12.520 1.00 1.93 N ATOM 422 NH2 ARG A 30 8.296 -0.082 12.731 1.00 3.00 N ATOM 0 H ARG A 30 1.632 -2.333 9.983 1.00 0.54 H new ATOM 0 HA ARG A 30 1.536 -2.888 12.830 1.00 0.63 H new ATOM 0 HB2 ARG A 30 2.125 -0.424 11.117 1.00 0.72 H new ATOM 0 HB3 ARG A 30 1.962 -0.283 12.856 1.00 0.72 H new ATOM 0 HG2 ARG A 30 3.860 -1.870 13.177 1.00 0.68 H new ATOM 0 HG3 ARG A 30 4.012 -2.054 11.441 1.00 0.68 H new ATOM 0 HD2 ARG A 30 4.570 0.361 11.215 1.00 0.87 H new ATOM 0 HD3 ARG A 30 4.370 0.583 12.941 1.00 0.87 H new ATOM 0 HE ARG A 30 6.287 -1.517 12.419 1.00 1.70 H new ATOM 0 HH11 ARG A 30 5.861 1.994 12.379 1.00 1.93 H new ATOM 0 HH12 ARG A 30 7.578 2.319 12.641 1.00 1.93 H new ATOM 0 HH21 ARG A 30 8.489 -1.083 12.752 1.00 3.00 H new ATOM 0 HH22 ARG A 30 9.057 0.586 12.851 1.00 3.00 H new ATOM 436 N LYS A 31 -0.244 -1.101 13.649 1.00 0.57 N ATOM 437 CA LYS A 31 -1.506 -0.665 14.278 1.00 0.59 C ATOM 438 C LYS A 31 -1.752 0.851 14.304 1.00 0.64 C ATOM 439 O LYS A 31 -1.260 1.556 15.194 1.00 0.79 O ATOM 440 CB LYS A 31 -1.557 -1.167 15.735 1.00 0.73 C ATOM 441 CG LYS A 31 -1.445 -2.691 15.892 1.00 1.15 C ATOM 442 CD LYS A 31 -1.813 -3.191 17.319 1.00 1.44 C ATOM 443 CE LYS A 31 -0.854 -2.682 18.411 1.00 1.70 C ATOM 444 NZ LYS A 31 -1.083 -3.382 19.706 1.00 2.30 N ATOM 0 H LYS A 31 0.580 -0.898 14.215 1.00 0.57 H new ATOM 0 HA LYS A 31 -2.284 -1.095 13.648 1.00 0.59 H new ATOM 0 HB2 LYS A 31 -0.749 -0.697 16.296 1.00 0.73 H new ATOM 0 HB3 LYS A 31 -2.492 -0.836 16.187 1.00 0.73 H new ATOM 0 HG2 LYS A 31 -2.099 -3.173 15.166 1.00 1.15 H new ATOM 0 HG3 LYS A 31 -0.426 -3.000 15.658 1.00 1.15 H new ATOM 0 HD2 LYS A 31 -2.827 -2.871 17.558 1.00 1.44 H new ATOM 0 HD3 LYS A 31 -1.813 -4.281 17.325 1.00 1.44 H new ATOM 0 HE2 LYS A 31 0.177 -2.834 18.091 1.00 1.70 H new ATOM 0 HE3 LYS A 31 -0.991 -1.609 18.546 1.00 1.70 H new ATOM 0 HZ1 LYS A 31 -0.421 -3.016 20.420 1.00 2.30 H new ATOM 0 HZ2 LYS A 31 -2.060 -3.216 20.022 1.00 2.30 H new ATOM 0 HZ3 LYS A 31 -0.928 -4.403 19.581 1.00 2.30 H new ATOM 458 N ASP A 32 -2.540 1.331 13.302 1.00 0.61 N ATOM 459 CA ASP A 32 -3.013 2.767 13.148 1.00 0.72 C ATOM 460 C ASP A 32 -1.945 3.912 13.319 1.00 0.75 C ATOM 461 O ASP A 32 -2.080 4.756 14.207 1.00 1.00 O ATOM 462 CB ASP A 32 -4.183 3.003 14.124 1.00 0.86 C ATOM 463 CG ASP A 32 -5.551 2.802 13.488 1.00 0.95 C ATOM 464 OD1 ASP A 32 -5.838 1.671 13.045 1.00 1.01 O ATOM 465 OD2 ASP A 32 -6.329 3.777 13.435 1.00 1.17 O ATOM 0 H ASP A 32 -2.881 0.728 12.553 1.00 0.61 H new ATOM 0 HA ASP A 32 -3.300 2.848 12.099 1.00 0.72 H new ATOM 0 HB2 ASP A 32 -4.082 2.325 14.972 1.00 0.86 H new ATOM 0 HB3 ASP A 32 -4.119 4.017 14.518 1.00 0.86 H new ATOM 470 N PRO A 33 -0.854 3.938 12.510 1.00 0.59 N ATOM 471 CA PRO A 33 0.183 4.984 12.606 1.00 0.66 C ATOM 472 C PRO A 33 0.206 6.028 11.451 1.00 0.83 C ATOM 473 O PRO A 33 1.235 6.213 10.789 1.00 1.45 O ATOM 474 CB PRO A 33 1.433 4.100 12.580 1.00 0.59 C ATOM 475 CG PRO A 33 1.092 3.046 11.544 1.00 0.57 C ATOM 476 CD PRO A 33 -0.446 2.916 11.536 1.00 0.49 C ATOM 0 HA PRO A 33 0.048 5.631 13.472 1.00 0.66 H new ATOM 0 HB2 PRO A 33 2.321 4.667 12.300 1.00 0.59 H new ATOM 0 HB3 PRO A 33 1.632 3.656 13.555 1.00 0.59 H new ATOM 0 HG2 PRO A 33 1.461 3.336 10.560 1.00 0.57 H new ATOM 0 HG3 PRO A 33 1.560 2.093 11.792 1.00 0.57 H new ATOM 0 HD2 PRO A 33 -0.865 3.106 10.548 1.00 0.49 H new ATOM 0 HD3 PRO A 33 -0.771 1.919 11.833 1.00 0.49 H new ATOM 484 N LEU A 34 -0.934 6.711 11.229 1.00 0.72 N ATOM 485 CA LEU A 34 -1.034 7.763 10.189 1.00 0.91 C ATOM 486 C LEU A 34 -0.855 9.168 10.799 1.00 1.43 C ATOM 487 O LEU A 34 0.266 9.687 10.833 1.00 1.91 O ATOM 488 CB LEU A 34 -2.383 7.716 9.440 1.00 1.02 C ATOM 489 CG LEU A 34 -2.425 7.111 8.009 1.00 0.88 C ATOM 490 CD1 LEU A 34 -3.102 5.763 7.997 1.00 1.67 C ATOM 491 CD2 LEU A 34 -3.180 8.025 7.054 1.00 1.33 C ATOM 0 H LEU A 34 -1.797 6.557 11.751 1.00 0.72 H new ATOM 0 HA LEU A 34 -0.232 7.564 9.478 1.00 0.91 H new ATOM 0 HB2 LEU A 34 -3.083 7.153 10.057 1.00 1.02 H new ATOM 0 HB3 LEU A 34 -2.762 8.736 9.378 1.00 1.02 H new ATOM 0 HG LEU A 34 -1.389 7.003 7.687 1.00 0.88 H new ATOM 0 HD11 LEU A 34 -3.113 5.370 6.980 1.00 1.67 H new ATOM 0 HD12 LEU A 34 -2.557 5.076 8.645 1.00 1.67 H new ATOM 0 HD13 LEU A 34 -4.126 5.867 8.357 1.00 1.67 H new ATOM 0 HD21 LEU A 34 -3.195 7.579 6.059 1.00 1.33 H new ATOM 0 HD22 LEU A 34 -4.202 8.157 7.408 1.00 1.33 H new ATOM 0 HD23 LEU A 34 -2.684 8.994 7.010 1.00 1.33 H new ATOM 503 N GLU A 35 -1.961 9.779 11.279 1.00 1.77 N ATOM 504 CA GLU A 35 -1.892 11.125 11.878 1.00 2.54 C ATOM 505 C GLU A 35 -3.048 11.441 12.858 1.00 2.66 C ATOM 506 O GLU A 35 -4.094 11.966 12.462 1.00 3.33 O ATOM 507 CB GLU A 35 -1.799 12.178 10.739 1.00 3.34 C ATOM 508 CG GLU A 35 -3.024 12.282 9.809 1.00 3.49 C ATOM 509 CD GLU A 35 -2.853 13.356 8.752 1.00 4.38 C ATOM 510 OE1 GLU A 35 -2.066 13.141 7.805 1.00 4.80 O ATOM 511 OE2 GLU A 35 -3.508 14.412 8.869 1.00 4.84 O ATOM 0 H GLU A 35 -2.895 9.368 11.263 1.00 1.77 H new ATOM 0 HA GLU A 35 -0.995 11.163 12.497 1.00 2.54 H new ATOM 0 HB2 GLU A 35 -1.626 13.156 11.189 1.00 3.34 H new ATOM 0 HB3 GLU A 35 -0.925 11.948 10.130 1.00 3.34 H new ATOM 0 HG2 GLU A 35 -3.192 11.321 9.323 1.00 3.49 H new ATOM 0 HG3 GLU A 35 -3.912 12.498 10.403 1.00 3.49 H new ATOM 518 N GLY A 36 -2.858 11.095 14.154 1.00 2.22 N ATOM 519 CA GLY A 36 -3.887 11.397 15.172 1.00 2.37 C ATOM 520 C GLY A 36 -4.846 10.247 15.538 1.00 1.99 C ATOM 521 O GLY A 36 -5.764 10.452 16.338 1.00 2.30 O ATOM 0 H GLY A 36 -2.028 10.621 14.510 1.00 2.22 H new ATOM 0 HA2 GLY A 36 -3.383 11.724 16.081 1.00 2.37 H new ATOM 0 HA3 GLY A 36 -4.482 12.239 14.817 1.00 2.37 H new ATOM 525 N ARG A 37 -4.634 9.052 14.962 1.00 1.73 N ATOM 526 CA ARG A 37 -5.536 7.916 15.152 1.00 2.21 C ATOM 527 C ARG A 37 -4.826 6.681 15.722 1.00 2.05 C ATOM 528 O ARG A 37 -4.431 5.796 14.978 1.00 2.64 O ATOM 529 CB ARG A 37 -6.193 7.573 13.786 1.00 3.16 C ATOM 530 CG ARG A 37 -5.259 7.773 12.565 1.00 3.40 C ATOM 531 CD ARG A 37 -6.003 7.655 11.223 1.00 3.20 C ATOM 532 NE ARG A 37 -7.263 8.406 11.228 1.00 3.69 N ATOM 533 CZ ARG A 37 -8.327 8.092 10.493 1.00 3.94 C ATOM 534 NH1 ARG A 37 -8.266 7.118 9.595 1.00 3.94 N ATOM 535 NH2 ARG A 37 -9.452 8.773 10.645 1.00 4.50 N ATOM 0 H ARG A 37 -3.837 8.852 14.357 1.00 1.73 H new ATOM 0 HA ARG A 37 -6.291 8.202 15.885 1.00 2.21 H new ATOM 0 HB2 ARG A 37 -6.529 6.536 13.807 1.00 3.16 H new ATOM 0 HB3 ARG A 37 -7.080 8.193 13.656 1.00 3.16 H new ATOM 0 HG2 ARG A 37 -4.788 8.754 12.630 1.00 3.40 H new ATOM 0 HG3 ARG A 37 -4.460 7.033 12.599 1.00 3.40 H new ATOM 0 HD2 ARG A 37 -5.364 8.023 10.420 1.00 3.20 H new ATOM 0 HD3 ARG A 37 -6.207 6.605 11.012 1.00 3.20 H new ATOM 0 HE ARG A 37 -7.328 9.223 11.835 1.00 3.69 H new ATOM 0 HH11 ARG A 37 -7.397 6.601 9.462 1.00 3.94 H new ATOM 0 HH12 ARG A 37 -9.088 6.886 9.037 1.00 3.94 H new ATOM 0 HH21 ARG A 37 -9.500 9.534 11.323 1.00 4.50 H new ATOM 0 HH22 ARG A 37 -10.271 8.537 10.084 1.00 4.50 H new ATOM 549 N VAL A 38 -4.685 6.631 17.057 1.00 1.67 N ATOM 550 CA VAL A 38 -4.031 5.472 17.738 1.00 1.61 C ATOM 551 C VAL A 38 -5.037 4.678 18.618 1.00 1.73 C ATOM 552 O VAL A 38 -5.554 5.189 19.618 1.00 2.44 O ATOM 553 CB VAL A 38 -2.713 5.819 18.595 1.00 2.08 C ATOM 554 CG1 VAL A 38 -1.440 5.684 17.734 1.00 2.70 C ATOM 555 CG2 VAL A 38 -2.698 7.223 19.284 1.00 2.63 C ATOM 0 H VAL A 38 -5.006 7.363 17.690 1.00 1.67 H new ATOM 0 HA VAL A 38 -3.688 4.853 16.909 1.00 1.61 H new ATOM 0 HB VAL A 38 -2.733 5.083 19.399 1.00 2.08 H new ATOM 0 HG11 VAL A 38 -0.565 5.924 18.338 1.00 2.70 H new ATOM 0 HG12 VAL A 38 -1.357 4.662 17.365 1.00 2.70 H new ATOM 0 HG13 VAL A 38 -1.497 6.371 16.889 1.00 2.70 H new ATOM 0 HG21 VAL A 38 -1.765 7.349 19.833 1.00 2.63 H new ATOM 0 HG22 VAL A 38 -2.781 8.001 18.526 1.00 2.63 H new ATOM 0 HG23 VAL A 38 -3.538 7.298 19.975 1.00 2.63 H new ATOM 565 N GLY A 39 -5.293 3.414 18.210 1.00 1.64 N ATOM 566 CA GLY A 39 -6.219 2.515 18.930 1.00 1.95 C ATOM 567 C GLY A 39 -7.688 2.553 18.456 1.00 1.52 C ATOM 568 O GLY A 39 -8.594 2.631 19.290 1.00 1.67 O ATOM 0 H GLY A 39 -4.869 2.994 17.383 1.00 1.64 H new ATOM 0 HA2 GLY A 39 -5.852 1.493 18.836 1.00 1.95 H new ATOM 0 HA3 GLY A 39 -6.191 2.767 19.990 1.00 1.95 H new ATOM 572 N ARG A 40 -7.925 2.496 17.123 1.00 1.49 N ATOM 573 CA ARG A 40 -9.293 2.536 16.566 1.00 1.54 C ATOM 574 C ARG A 40 -9.365 1.921 15.155 1.00 1.40 C ATOM 575 O ARG A 40 -8.743 2.412 14.211 1.00 1.40 O ATOM 576 CB ARG A 40 -9.815 3.996 16.522 1.00 2.19 C ATOM 577 CG ARG A 40 -11.354 4.129 16.402 1.00 2.54 C ATOM 578 CD ARG A 40 -11.815 5.588 16.250 1.00 3.29 C ATOM 579 NE ARG A 40 -13.267 5.682 16.115 1.00 3.83 N ATOM 580 CZ ARG A 40 -13.909 6.797 15.773 1.00 4.62 C ATOM 581 NH1 ARG A 40 -13.235 7.914 15.544 1.00 4.94 N ATOM 582 NH2 ARG A 40 -15.231 6.792 15.662 1.00 5.34 N ATOM 0 H ARG A 40 -7.190 2.423 16.420 1.00 1.49 H new ATOM 0 HA ARG A 40 -9.923 1.938 17.224 1.00 1.54 H new ATOM 0 HB2 ARG A 40 -9.489 4.512 17.425 1.00 2.19 H new ATOM 0 HB3 ARG A 40 -9.353 4.508 15.678 1.00 2.19 H new ATOM 0 HG2 ARG A 40 -11.698 3.552 15.543 1.00 2.54 H new ATOM 0 HG3 ARG A 40 -11.822 3.695 17.286 1.00 2.54 H new ATOM 0 HD2 ARG A 40 -11.492 6.165 17.117 1.00 3.29 H new ATOM 0 HD3 ARG A 40 -11.338 6.032 15.376 1.00 3.29 H new ATOM 0 HE ARG A 40 -13.821 4.844 16.293 1.00 3.83 H new ATOM 0 HH11 ARG A 40 -12.219 7.923 15.629 1.00 4.94 H new ATOM 0 HH12 ARG A 40 -13.732 8.765 15.282 1.00 4.94 H new ATOM 0 HH21 ARG A 40 -15.754 5.935 15.839 1.00 5.34 H new ATOM 0 HH22 ARG A 40 -15.724 7.646 15.400 1.00 5.34 H new ATOM 596 N ALA A 41 -10.175 0.841 15.027 1.00 1.35 N ATOM 597 CA ALA A 41 -10.398 0.124 13.742 1.00 1.29 C ATOM 598 C ALA A 41 -11.820 0.420 13.182 1.00 1.31 C ATOM 599 O ALA A 41 -12.835 0.322 13.900 1.00 1.64 O ATOM 600 CB ALA A 41 -10.181 -1.401 13.931 1.00 1.35 C ATOM 0 H ALA A 41 -10.693 0.441 15.810 1.00 1.35 H new ATOM 0 HA ALA A 41 -9.672 0.486 13.014 1.00 1.29 H new ATOM 0 HB1 ALA A 41 -10.348 -1.912 12.983 1.00 1.35 H new ATOM 0 HB2 ALA A 41 -9.161 -1.584 14.268 1.00 1.35 H new ATOM 0 HB3 ALA A 41 -10.882 -1.779 14.675 1.00 1.35 H new ATOM 606 N SER A 42 -11.880 0.810 11.892 1.00 1.13 N ATOM 607 CA SER A 42 -13.159 1.135 11.227 1.00 1.15 C ATOM 608 C SER A 42 -13.486 0.147 10.081 1.00 1.10 C ATOM 609 O SER A 42 -13.242 0.420 8.904 1.00 1.57 O ATOM 610 CB SER A 42 -13.180 2.615 10.731 1.00 1.23 C ATOM 611 OG SER A 42 -11.998 2.988 10.018 1.00 1.43 O ATOM 0 H SER A 42 -11.061 0.907 11.292 1.00 1.13 H new ATOM 0 HA SER A 42 -13.946 1.025 11.973 1.00 1.15 H new ATOM 0 HB2 SER A 42 -14.047 2.763 10.087 1.00 1.23 H new ATOM 0 HB3 SER A 42 -13.303 3.277 11.588 1.00 1.23 H new ATOM 0 HG SER A 42 -11.806 2.318 9.329 1.00 1.43 H new ATOM 617 N ASP A 43 -14.060 -1.005 10.468 1.00 0.99 N ATOM 618 CA ASP A 43 -14.451 -2.074 9.527 1.00 0.98 C ATOM 619 C ASP A 43 -15.978 -2.276 9.554 1.00 1.13 C ATOM 620 O ASP A 43 -16.512 -2.969 10.428 1.00 1.62 O ATOM 621 CB ASP A 43 -13.734 -3.390 9.881 1.00 1.01 C ATOM 622 CG ASP A 43 -12.412 -3.561 9.147 1.00 1.65 C ATOM 623 OD1 ASP A 43 -12.441 -3.711 7.908 1.00 2.33 O ATOM 624 OD2 ASP A 43 -11.355 -3.538 9.812 1.00 1.80 O ATOM 0 H ASP A 43 -14.267 -1.223 11.443 1.00 0.99 H new ATOM 0 HA ASP A 43 -14.154 -1.776 8.521 1.00 0.98 H new ATOM 0 HB2 ASP A 43 -13.554 -3.422 10.956 1.00 1.01 H new ATOM 0 HB3 ASP A 43 -14.387 -4.229 9.642 1.00 1.01 H new ATOM 629 N TYR A 44 -16.676 -1.648 8.582 1.00 1.26 N ATOM 630 CA TYR A 44 -18.152 -1.737 8.472 1.00 1.48 C ATOM 631 C TYR A 44 -18.579 -2.713 7.352 1.00 1.68 C ATOM 632 O TYR A 44 -19.109 -2.307 6.309 1.00 2.40 O ATOM 633 CB TYR A 44 -18.762 -0.343 8.214 1.00 1.58 C ATOM 634 CG TYR A 44 -18.540 0.670 9.346 1.00 1.67 C ATOM 635 CD1 TYR A 44 -19.285 0.598 10.526 1.00 1.93 C ATOM 636 CD2 TYR A 44 -17.592 1.696 9.236 1.00 2.02 C ATOM 637 CE1 TYR A 44 -19.094 1.510 11.552 1.00 2.32 C ATOM 638 CE2 TYR A 44 -17.401 2.605 10.265 1.00 2.50 C ATOM 639 CZ TYR A 44 -18.154 2.507 11.414 1.00 2.56 C ATOM 640 OH TYR A 44 -17.964 3.411 12.434 1.00 3.16 O ATOM 0 H TYR A 44 -16.241 -1.073 7.861 1.00 1.26 H new ATOM 0 HA TYR A 44 -18.528 -2.122 9.420 1.00 1.48 H new ATOM 0 HB2 TYR A 44 -18.338 0.060 7.295 1.00 1.58 H new ATOM 0 HB3 TYR A 44 -19.834 -0.455 8.049 1.00 1.58 H new ATOM 0 HD1 TYR A 44 -20.023 -0.182 10.641 1.00 1.93 H new ATOM 0 HD2 TYR A 44 -17.001 1.780 8.336 1.00 2.02 H new ATOM 0 HE1 TYR A 44 -19.680 1.439 12.456 1.00 2.32 H new ATOM 0 HE2 TYR A 44 -16.664 3.388 10.166 1.00 2.50 H new ATOM 0 HH TYR A 44 -17.265 4.049 12.180 1.00 3.16 H new ATOM 650 N GLY A 45 -18.326 -4.011 7.594 1.00 1.41 N ATOM 651 CA GLY A 45 -18.656 -5.050 6.632 1.00 1.52 C ATOM 652 C GLY A 45 -17.455 -5.905 6.245 1.00 1.29 C ATOM 653 O GLY A 45 -16.705 -5.550 5.332 1.00 1.22 O ATOM 0 H GLY A 45 -17.893 -4.355 8.451 1.00 1.41 H new ATOM 0 HA2 GLY A 45 -19.432 -5.691 7.050 1.00 1.52 H new ATOM 0 HA3 GLY A 45 -19.071 -4.589 5.736 1.00 1.52 H new ATOM 657 N MET A 46 -17.280 -7.045 6.950 1.00 1.26 N ATOM 658 CA MET A 46 -16.172 -8.008 6.676 1.00 1.14 C ATOM 659 C MET A 46 -16.574 -9.142 5.681 1.00 1.13 C ATOM 660 O MET A 46 -15.762 -10.019 5.368 1.00 1.13 O ATOM 661 CB MET A 46 -15.693 -8.674 7.980 1.00 1.28 C ATOM 662 CG MET A 46 -15.088 -7.712 8.993 1.00 1.04 C ATOM 663 SD MET A 46 -14.651 -8.519 10.547 1.00 1.58 S ATOM 664 CE MET A 46 -13.991 -7.143 11.488 1.00 1.67 C ATOM 0 H MET A 46 -17.890 -7.328 7.717 1.00 1.26 H new ATOM 0 HA MET A 46 -15.377 -7.415 6.223 1.00 1.14 H new ATOM 0 HB2 MET A 46 -16.536 -9.186 8.443 1.00 1.28 H new ATOM 0 HB3 MET A 46 -14.953 -9.436 7.734 1.00 1.28 H new ATOM 0 HG2 MET A 46 -14.197 -7.252 8.564 1.00 1.04 H new ATOM 0 HG3 MET A 46 -15.797 -6.908 9.193 1.00 1.04 H new ATOM 0 HE1 MET A 46 -13.680 -7.492 12.473 1.00 1.67 H new ATOM 0 HE2 MET A 46 -13.133 -6.722 10.964 1.00 1.67 H new ATOM 0 HE3 MET A 46 -14.759 -6.377 11.600 1.00 1.67 H new ATOM 674 N LYS A 47 -17.838 -9.097 5.189 1.00 1.20 N ATOM 675 CA LYS A 47 -18.403 -10.100 4.264 1.00 1.24 C ATOM 676 C LYS A 47 -18.319 -9.702 2.746 1.00 1.33 C ATOM 677 O LYS A 47 -19.121 -10.157 1.922 1.00 1.68 O ATOM 678 CB LYS A 47 -19.855 -10.399 4.742 1.00 1.34 C ATOM 679 CG LYS A 47 -20.962 -9.409 4.272 1.00 2.03 C ATOM 680 CD LYS A 47 -20.816 -7.994 4.879 1.00 2.90 C ATOM 681 CE LYS A 47 -21.959 -7.057 4.449 1.00 3.65 C ATOM 682 NZ LYS A 47 -23.286 -7.558 4.902 1.00 4.18 N ATOM 0 H LYS A 47 -18.496 -8.355 5.428 1.00 1.20 H new ATOM 0 HA LYS A 47 -17.797 -11.005 4.304 1.00 1.24 H new ATOM 0 HB2 LYS A 47 -20.126 -11.399 4.403 1.00 1.34 H new ATOM 0 HB3 LYS A 47 -19.857 -10.420 5.832 1.00 1.34 H new ATOM 0 HG2 LYS A 47 -20.935 -9.335 3.185 1.00 2.03 H new ATOM 0 HG3 LYS A 47 -21.938 -9.813 4.540 1.00 2.03 H new ATOM 0 HD2 LYS A 47 -20.798 -8.067 5.966 1.00 2.90 H new ATOM 0 HD3 LYS A 47 -19.862 -7.565 4.572 1.00 2.90 H new ATOM 0 HE2 LYS A 47 -21.787 -6.062 4.859 1.00 3.65 H new ATOM 0 HE3 LYS A 47 -21.959 -6.958 3.363 1.00 3.65 H new ATOM 0 HZ1 LYS A 47 -24.000 -6.812 4.776 1.00 4.18 H new ATOM 0 HZ2 LYS A 47 -23.553 -8.391 4.340 1.00 4.18 H new ATOM 0 HZ3 LYS A 47 -23.233 -7.821 5.907 1.00 4.18 H new ATOM 696 N LEU A 48 -17.311 -8.871 2.413 1.00 1.18 N ATOM 697 CA LEU A 48 -17.021 -8.415 1.052 1.00 1.29 C ATOM 698 C LEU A 48 -15.489 -8.503 0.850 1.00 1.00 C ATOM 699 O LEU A 48 -14.816 -7.472 0.733 1.00 1.21 O ATOM 700 CB LEU A 48 -17.517 -6.953 0.850 1.00 1.76 C ATOM 701 CG LEU A 48 -18.540 -6.649 -0.312 1.00 1.96 C ATOM 702 CD1 LEU A 48 -18.073 -7.162 -1.683 1.00 2.24 C ATOM 703 CD2 LEU A 48 -19.940 -7.192 0.002 1.00 2.63 C ATOM 0 H LEU A 48 -16.664 -8.493 3.105 1.00 1.18 H new ATOM 0 HA LEU A 48 -17.537 -9.038 0.322 1.00 1.29 H new ATOM 0 HB2 LEU A 48 -17.974 -6.628 1.785 1.00 1.76 H new ATOM 0 HB3 LEU A 48 -16.640 -6.327 0.689 1.00 1.76 H new ATOM 0 HG LEU A 48 -18.589 -5.562 -0.372 1.00 1.96 H new ATOM 0 HD11 LEU A 48 -18.822 -6.920 -2.437 1.00 2.24 H new ATOM 0 HD12 LEU A 48 -17.128 -6.688 -1.946 1.00 2.24 H new ATOM 0 HD13 LEU A 48 -17.937 -8.243 -1.640 1.00 2.24 H new ATOM 0 HD21 LEU A 48 -20.613 -6.961 -0.824 1.00 2.63 H new ATOM 0 HD22 LEU A 48 -19.889 -8.272 0.138 1.00 2.63 H new ATOM 0 HD23 LEU A 48 -20.314 -6.729 0.915 1.00 2.63 H new ATOM 715 N PRO A 49 -14.898 -9.759 0.813 1.00 0.82 N ATOM 716 CA PRO A 49 -13.422 -9.981 0.676 1.00 0.89 C ATOM 717 C PRO A 49 -12.837 -9.796 -0.741 1.00 0.75 C ATOM 718 O PRO A 49 -13.558 -9.525 -1.704 1.00 0.78 O ATOM 719 CB PRO A 49 -13.237 -11.463 1.101 1.00 1.31 C ATOM 720 CG PRO A 49 -14.562 -11.888 1.670 1.00 1.37 C ATOM 721 CD PRO A 49 -15.588 -11.067 0.929 1.00 1.05 C ATOM 0 HA PRO A 49 -12.895 -9.238 1.274 1.00 0.89 H new ATOM 0 HB2 PRO A 49 -12.959 -12.083 0.249 1.00 1.31 H new ATOM 0 HB3 PRO A 49 -12.443 -11.563 1.841 1.00 1.31 H new ATOM 0 HG2 PRO A 49 -14.730 -12.955 1.524 1.00 1.37 H new ATOM 0 HG3 PRO A 49 -14.608 -11.702 2.743 1.00 1.37 H new ATOM 0 HD2 PRO A 49 -15.826 -11.492 -0.046 1.00 1.05 H new ATOM 0 HD3 PRO A 49 -16.525 -10.988 1.480 1.00 1.05 H new ATOM 729 N ILE A 50 -11.500 -9.962 -0.823 1.00 0.67 N ATOM 730 CA ILE A 50 -10.735 -9.841 -2.066 1.00 0.60 C ATOM 731 C ILE A 50 -10.494 -11.277 -2.687 1.00 0.64 C ATOM 732 O ILE A 50 -10.149 -12.235 -1.983 1.00 0.69 O ATOM 733 CB ILE A 50 -9.422 -8.900 -1.771 1.00 0.57 C ATOM 734 CG1 ILE A 50 -9.652 -7.447 -2.279 1.00 0.54 C ATOM 735 CG2 ILE A 50 -8.061 -9.364 -2.367 1.00 0.59 C ATOM 736 CD1 ILE A 50 -10.558 -6.569 -1.434 1.00 0.59 C ATOM 0 H ILE A 50 -10.921 -10.186 -0.014 1.00 0.67 H new ATOM 0 HA ILE A 50 -11.271 -9.321 -2.860 1.00 0.60 H new ATOM 0 HB ILE A 50 -9.333 -8.976 -0.687 1.00 0.57 H new ATOM 0 HG12 ILE A 50 -8.682 -6.957 -2.361 1.00 0.54 H new ATOM 0 HG13 ILE A 50 -10.069 -7.499 -3.285 1.00 0.54 H new ATOM 0 HG21 ILE A 50 -7.283 -8.651 -2.095 1.00 0.59 H new ATOM 0 HG22 ILE A 50 -7.807 -10.347 -1.971 1.00 0.59 H new ATOM 0 HG23 ILE A 50 -8.139 -9.419 -3.453 1.00 0.59 H new ATOM 0 HD11 ILE A 50 -10.639 -5.583 -1.892 1.00 0.59 H new ATOM 0 HD12 ILE A 50 -11.547 -7.022 -1.370 1.00 0.59 H new ATOM 0 HD13 ILE A 50 -10.139 -6.471 -0.433 1.00 0.59 H new ATOM 748 N LEU A 51 -10.671 -11.365 -4.022 1.00 0.65 N ATOM 749 CA LEU A 51 -10.554 -12.637 -4.789 1.00 0.71 C ATOM 750 C LEU A 51 -9.141 -12.987 -5.335 1.00 0.78 C ATOM 751 O LEU A 51 -8.929 -14.124 -5.769 1.00 1.26 O ATOM 752 CB LEU A 51 -11.527 -12.582 -5.973 1.00 0.74 C ATOM 753 CG LEU A 51 -13.005 -12.975 -5.695 1.00 0.86 C ATOM 754 CD1 LEU A 51 -13.953 -12.216 -6.624 1.00 1.22 C ATOM 755 CD2 LEU A 51 -13.228 -14.482 -5.858 1.00 1.28 C ATOM 0 H LEU A 51 -10.899 -10.560 -4.605 1.00 0.65 H new ATOM 0 HA LEU A 51 -10.785 -13.423 -4.070 1.00 0.71 H new ATOM 0 HB2 LEU A 51 -11.516 -11.568 -6.373 1.00 0.74 H new ATOM 0 HB3 LEU A 51 -11.144 -13.237 -6.756 1.00 0.74 H new ATOM 0 HG LEU A 51 -13.219 -12.704 -4.661 1.00 0.86 H new ATOM 0 HD11 LEU A 51 -14.982 -12.507 -6.411 1.00 1.22 H new ATOM 0 HD12 LEU A 51 -13.839 -11.144 -6.464 1.00 1.22 H new ATOM 0 HD13 LEU A 51 -13.715 -12.455 -7.661 1.00 1.22 H new ATOM 0 HD21 LEU A 51 -14.272 -14.719 -5.656 1.00 1.28 H new ATOM 0 HD22 LEU A 51 -12.979 -14.779 -6.877 1.00 1.28 H new ATOM 0 HD23 LEU A 51 -12.591 -15.022 -5.157 1.00 1.28 H new ATOM 767 N ARG A 52 -8.178 -12.036 -5.314 1.00 0.58 N ATOM 768 CA ARG A 52 -6.802 -12.308 -5.809 1.00 0.58 C ATOM 769 C ARG A 52 -5.764 -12.595 -4.671 1.00 0.57 C ATOM 770 O ARG A 52 -4.553 -12.557 -4.909 1.00 0.65 O ATOM 771 CB ARG A 52 -6.308 -11.133 -6.681 1.00 0.57 C ATOM 772 CG ARG A 52 -5.935 -11.488 -8.148 1.00 0.70 C ATOM 773 CD ARG A 52 -7.155 -11.827 -9.028 1.00 0.64 C ATOM 774 NE ARG A 52 -6.771 -12.045 -10.420 1.00 0.87 N ATOM 775 CZ ARG A 52 -7.641 -12.282 -11.398 1.00 1.19 C ATOM 776 NH1 ARG A 52 -8.940 -12.340 -11.137 1.00 1.34 N ATOM 777 NH2 ARG A 52 -7.210 -12.464 -12.638 1.00 1.51 N ATOM 0 H ARG A 52 -8.321 -11.088 -4.966 1.00 0.58 H new ATOM 0 HA ARG A 52 -6.871 -13.220 -6.402 1.00 0.58 H new ATOM 0 HB2 ARG A 52 -7.084 -10.367 -6.699 1.00 0.57 H new ATOM 0 HB3 ARG A 52 -5.435 -10.691 -6.201 1.00 0.57 H new ATOM 0 HG2 ARG A 52 -5.399 -10.649 -8.591 1.00 0.70 H new ATOM 0 HG3 ARG A 52 -5.252 -12.337 -8.145 1.00 0.70 H new ATOM 0 HD2 ARG A 52 -7.646 -12.720 -8.641 1.00 0.64 H new ATOM 0 HD3 ARG A 52 -7.880 -11.015 -8.973 1.00 0.64 H new ATOM 0 HE ARG A 52 -5.779 -12.014 -10.656 1.00 0.87 H new ATOM 0 HH11 ARG A 52 -9.275 -12.203 -10.184 1.00 1.34 H new ATOM 0 HH12 ARG A 52 -9.604 -12.522 -11.890 1.00 1.34 H new ATOM 0 HH21 ARG A 52 -6.212 -12.422 -12.842 1.00 1.51 H new ATOM 0 HH22 ARG A 52 -7.877 -12.646 -13.388 1.00 1.51 H new ATOM 791 N SER A 53 -6.260 -12.891 -3.448 1.00 0.53 N ATOM 792 CA SER A 53 -5.411 -13.209 -2.286 1.00 0.54 C ATOM 793 C SER A 53 -5.917 -14.491 -1.541 1.00 0.57 C ATOM 794 O SER A 53 -6.721 -15.265 -2.079 1.00 0.67 O ATOM 795 CB SER A 53 -5.377 -11.976 -1.354 1.00 0.53 C ATOM 796 OG SER A 53 -4.187 -11.930 -0.575 1.00 1.09 O ATOM 0 H SER A 53 -7.259 -12.915 -3.243 1.00 0.53 H new ATOM 0 HA SER A 53 -4.398 -13.434 -2.621 1.00 0.54 H new ATOM 0 HB2 SER A 53 -5.455 -11.068 -1.951 1.00 0.53 H new ATOM 0 HB3 SER A 53 -6.243 -11.997 -0.692 1.00 0.53 H new ATOM 0 HG SER A 53 -3.789 -11.037 -0.638 1.00 1.09 H new ATOM 802 N ASN A 54 -5.421 -14.719 -0.299 1.00 0.59 N ATOM 803 CA ASN A 54 -5.817 -15.905 0.539 1.00 0.64 C ATOM 804 C ASN A 54 -6.961 -15.541 1.551 1.00 0.63 C ATOM 805 O ASN A 54 -7.347 -14.368 1.638 1.00 0.66 O ATOM 806 CB ASN A 54 -4.634 -16.554 1.376 1.00 0.80 C ATOM 807 CG ASN A 54 -3.208 -15.988 1.245 1.00 0.85 C ATOM 808 OD1 ASN A 54 -2.747 -15.612 0.166 1.00 1.27 O ATOM 809 ND2 ASN A 54 -2.509 -15.959 2.375 1.00 1.12 N ATOM 0 H ASN A 54 -4.745 -14.104 0.154 1.00 0.59 H new ATOM 0 HA ASN A 54 -6.152 -16.636 -0.197 1.00 0.64 H new ATOM 0 HB2 ASN A 54 -4.911 -16.499 2.429 1.00 0.80 H new ATOM 0 HB3 ASN A 54 -4.590 -17.611 1.113 1.00 0.80 H new ATOM 0 HD21 ASN A 54 -1.549 -15.615 2.372 1.00 1.12 H new ATOM 0 HD22 ASN A 54 -2.933 -16.281 3.245 1.00 1.12 H new ATOM 816 N PRO A 55 -7.559 -16.534 2.338 1.00 0.71 N ATOM 817 CA PRO A 55 -8.614 -16.239 3.383 1.00 0.75 C ATOM 818 C PRO A 55 -8.068 -15.493 4.632 1.00 0.74 C ATOM 819 O PRO A 55 -8.779 -14.719 5.280 1.00 0.80 O ATOM 820 CB PRO A 55 -9.124 -17.639 3.799 1.00 0.89 C ATOM 821 CG PRO A 55 -8.684 -18.548 2.688 1.00 0.95 C ATOM 822 CD PRO A 55 -7.344 -18.002 2.243 1.00 0.83 C ATOM 0 HA PRO A 55 -9.380 -15.579 2.976 1.00 0.75 H new ATOM 0 HB2 PRO A 55 -8.700 -17.947 4.755 1.00 0.89 H new ATOM 0 HB3 PRO A 55 -10.208 -17.648 3.913 1.00 0.89 H new ATOM 0 HG2 PRO A 55 -8.596 -19.578 3.033 1.00 0.95 H new ATOM 0 HG3 PRO A 55 -9.403 -18.546 1.869 1.00 0.95 H new ATOM 0 HD2 PRO A 55 -6.532 -18.338 2.888 1.00 0.83 H new ATOM 0 HD3 PRO A 55 -7.094 -18.313 1.229 1.00 0.83 H new ATOM 830 N GLU A 56 -6.766 -15.724 4.918 1.00 0.71 N ATOM 831 CA GLU A 56 -6.037 -15.084 6.045 1.00 0.73 C ATOM 832 C GLU A 56 -5.444 -13.696 5.666 1.00 0.65 C ATOM 833 O GLU A 56 -5.482 -12.751 6.462 1.00 0.67 O ATOM 834 CB GLU A 56 -4.902 -16.017 6.560 1.00 0.80 C ATOM 835 CG GLU A 56 -3.970 -16.590 5.486 1.00 0.97 C ATOM 836 CD GLU A 56 -2.911 -17.494 6.085 1.00 1.48 C ATOM 837 OE1 GLU A 56 -1.942 -16.966 6.671 1.00 1.63 O ATOM 838 OE2 GLU A 56 -3.049 -18.730 5.970 1.00 2.04 O ATOM 0 H GLU A 56 -6.186 -16.362 4.373 1.00 0.71 H new ATOM 0 HA GLU A 56 -6.769 -14.921 6.837 1.00 0.73 H new ATOM 0 HB2 GLU A 56 -4.299 -15.462 7.279 1.00 0.80 H new ATOM 0 HB3 GLU A 56 -5.357 -16.847 7.100 1.00 0.80 H new ATOM 0 HG2 GLU A 56 -4.556 -17.150 4.757 1.00 0.97 H new ATOM 0 HG3 GLU A 56 -3.489 -15.773 4.948 1.00 0.97 H new ATOM 845 N ASP A 57 -4.955 -13.577 4.413 1.00 0.62 N ATOM 846 CA ASP A 57 -4.339 -12.325 3.913 1.00 0.58 C ATOM 847 C ASP A 57 -5.316 -11.407 3.113 1.00 0.52 C ATOM 848 O ASP A 57 -4.885 -10.400 2.539 1.00 0.53 O ATOM 849 CB ASP A 57 -3.088 -12.631 3.071 1.00 0.60 C ATOM 850 CG ASP A 57 -1.926 -13.215 3.865 1.00 1.08 C ATOM 851 OD1 ASP A 57 -2.043 -13.333 5.100 1.00 1.62 O ATOM 852 OD2 ASP A 57 -0.917 -13.580 3.239 1.00 1.62 O ATOM 0 H ASP A 57 -4.974 -14.332 3.728 1.00 0.62 H new ATOM 0 HA ASP A 57 -4.057 -11.763 4.804 1.00 0.58 H new ATOM 0 HB2 ASP A 57 -3.359 -13.329 2.279 1.00 0.60 H new ATOM 0 HB3 ASP A 57 -2.757 -11.713 2.587 1.00 0.60 H new ATOM 857 N GLN A 58 -6.655 -11.738 3.108 1.00 0.52 N ATOM 858 CA GLN A 58 -7.721 -10.892 2.474 1.00 0.51 C ATOM 859 C GLN A 58 -7.985 -9.607 3.328 1.00 0.50 C ATOM 860 O GLN A 58 -8.360 -8.565 2.807 1.00 0.49 O ATOM 861 CB GLN A 58 -9.032 -11.699 2.266 1.00 0.60 C ATOM 862 CG GLN A 58 -9.671 -12.252 3.550 1.00 0.84 C ATOM 863 CD GLN A 58 -10.931 -13.063 3.287 1.00 0.91 C ATOM 864 OE1 GLN A 58 -11.068 -13.715 2.248 1.00 1.16 O ATOM 865 NE2 GLN A 58 -11.864 -13.027 4.233 1.00 1.77 N ATOM 0 H GLN A 58 -7.016 -12.589 3.539 1.00 0.52 H new ATOM 0 HA GLN A 58 -7.365 -10.583 1.491 1.00 0.51 H new ATOM 0 HB2 GLN A 58 -9.758 -11.059 1.765 1.00 0.60 H new ATOM 0 HB3 GLN A 58 -8.824 -12.532 1.595 1.00 0.60 H new ATOM 0 HG2 GLN A 58 -8.945 -12.877 4.070 1.00 0.84 H new ATOM 0 HG3 GLN A 58 -9.912 -11.423 4.215 1.00 0.84 H new ATOM 0 HE21 GLN A 58 -11.713 -12.476 5.078 1.00 1.77 H new ATOM 0 HE22 GLN A 58 -12.731 -13.551 4.114 1.00 1.77 H new ATOM 874 N VAL A 59 -7.689 -9.735 4.660 1.00 0.52 N ATOM 875 CA VAL A 59 -7.733 -8.643 5.695 1.00 0.54 C ATOM 876 C VAL A 59 -6.574 -7.631 5.390 1.00 0.52 C ATOM 877 O VAL A 59 -6.831 -6.438 5.300 1.00 0.55 O ATOM 878 CB VAL A 59 -7.613 -9.254 7.184 1.00 0.55 C ATOM 879 CG1 VAL A 59 -7.413 -8.230 8.341 1.00 0.80 C ATOM 880 CG2 VAL A 59 -8.834 -10.100 7.559 1.00 0.81 C ATOM 0 H VAL A 59 -7.404 -10.630 5.058 1.00 0.52 H new ATOM 0 HA VAL A 59 -8.689 -8.122 5.649 1.00 0.54 H new ATOM 0 HB VAL A 59 -6.702 -9.847 7.105 1.00 0.55 H new ATOM 0 HG11 VAL A 59 -7.347 -8.762 9.290 1.00 0.80 H new ATOM 0 HG12 VAL A 59 -6.494 -7.668 8.175 1.00 0.80 H new ATOM 0 HG13 VAL A 59 -8.258 -7.543 8.369 1.00 0.80 H new ATOM 0 HG21 VAL A 59 -8.710 -10.491 8.569 1.00 0.81 H new ATOM 0 HG22 VAL A 59 -9.731 -9.483 7.517 1.00 0.81 H new ATOM 0 HG23 VAL A 59 -8.931 -10.929 6.859 1.00 0.81 H new ATOM 890 N LEU A 60 -5.305 -8.149 5.205 1.00 0.49 N ATOM 891 CA LEU A 60 -4.136 -7.293 4.844 1.00 0.48 C ATOM 892 C LEU A 60 -4.137 -6.806 3.349 1.00 0.49 C ATOM 893 O LEU A 60 -3.346 -5.961 2.976 1.00 0.65 O ATOM 894 CB LEU A 60 -2.830 -8.055 5.163 1.00 0.52 C ATOM 895 CG LEU A 60 -1.511 -7.527 4.503 1.00 0.71 C ATOM 896 CD1 LEU A 60 -0.891 -6.357 5.228 1.00 1.15 C ATOM 897 CD2 LEU A 60 -0.470 -8.594 4.415 1.00 0.90 C ATOM 0 H LEU A 60 -5.081 -9.139 5.301 1.00 0.49 H new ATOM 0 HA LEU A 60 -4.210 -6.387 5.446 1.00 0.48 H new ATOM 0 HB2 LEU A 60 -2.692 -8.050 6.244 1.00 0.52 H new ATOM 0 HB3 LEU A 60 -2.964 -9.095 4.864 1.00 0.52 H new ATOM 0 HG LEU A 60 -1.824 -7.201 3.511 1.00 0.71 H new ATOM 0 HD11 LEU A 60 0.018 -6.049 4.711 1.00 1.15 H new ATOM 0 HD12 LEU A 60 -1.596 -5.526 5.248 1.00 1.15 H new ATOM 0 HD13 LEU A 60 -0.646 -6.650 6.249 1.00 1.15 H new ATOM 0 HD21 LEU A 60 0.429 -8.188 3.952 1.00 0.90 H new ATOM 0 HD22 LEU A 60 -0.232 -8.953 5.416 1.00 0.90 H new ATOM 0 HD23 LEU A 60 -0.847 -9.421 3.813 1.00 0.90 H new ATOM 909 N TYR A 61 -5.031 -7.349 2.539 1.00 0.44 N ATOM 910 CA TYR A 61 -5.209 -6.935 1.131 1.00 0.45 C ATOM 911 C TYR A 61 -6.545 -6.136 0.949 1.00 0.47 C ATOM 912 O TYR A 61 -6.885 -5.716 -0.161 1.00 0.52 O ATOM 913 CB TYR A 61 -5.170 -8.157 0.192 1.00 0.44 C ATOM 914 CG TYR A 61 -3.762 -8.690 -0.155 1.00 0.46 C ATOM 915 CD1 TYR A 61 -2.781 -8.864 0.832 1.00 0.70 C ATOM 916 CD2 TYR A 61 -3.406 -9.006 -1.469 1.00 0.76 C ATOM 917 CE1 TYR A 61 -1.515 -9.334 0.515 1.00 0.72 C ATOM 918 CE2 TYR A 61 -2.140 -9.477 -1.782 1.00 0.92 C ATOM 919 CZ TYR A 61 -1.215 -9.672 -0.776 1.00 0.72 C ATOM 920 OH TYR A 61 0.051 -10.104 -1.101 1.00 0.88 O ATOM 0 H TYR A 61 -5.664 -8.095 2.828 1.00 0.44 H new ATOM 0 HA TYR A 61 -4.382 -6.276 0.865 1.00 0.45 H new ATOM 0 HB2 TYR A 61 -5.741 -8.964 0.652 1.00 0.44 H new ATOM 0 HB3 TYR A 61 -5.678 -7.895 -0.736 1.00 0.44 H new ATOM 0 HD1 TYR A 61 -3.016 -8.627 1.859 1.00 0.70 H new ATOM 0 HD2 TYR A 61 -4.133 -8.881 -2.258 1.00 0.76 H new ATOM 0 HE1 TYR A 61 -0.766 -9.433 1.287 1.00 0.72 H new ATOM 0 HE2 TYR A 61 -1.879 -9.690 -2.808 1.00 0.92 H new ATOM 0 HH TYR A 61 0.093 -10.303 -2.060 1.00 0.88 H new ATOM 930 N GLN A 62 -7.280 -5.943 2.080 1.00 0.50 N ATOM 931 CA GLN A 62 -8.544 -5.190 2.132 1.00 0.57 C ATOM 932 C GLN A 62 -8.498 -4.100 3.257 1.00 0.70 C ATOM 933 O GLN A 62 -7.653 -3.208 3.188 1.00 1.33 O ATOM 934 CB GLN A 62 -9.744 -6.165 2.319 1.00 0.57 C ATOM 935 CG GLN A 62 -11.151 -5.533 2.187 1.00 0.75 C ATOM 936 CD GLN A 62 -12.215 -6.333 2.920 1.00 0.77 C ATOM 937 OE1 GLN A 62 -12.007 -7.641 3.032 1.00 1.26 O flip ATOM 938 NE2 GLN A 62 -13.213 -5.779 3.381 1.00 1.02 N flip ATOM 0 H GLN A 62 -6.998 -6.315 2.987 1.00 0.50 H new ATOM 0 HA GLN A 62 -8.683 -4.669 1.185 1.00 0.57 H new ATOM 0 HB2 GLN A 62 -9.655 -6.966 1.585 1.00 0.57 H new ATOM 0 HB3 GLN A 62 -9.664 -6.625 3.304 1.00 0.57 H new ATOM 0 HG2 GLN A 62 -11.129 -4.517 2.581 1.00 0.75 H new ATOM 0 HG3 GLN A 62 -11.417 -5.461 1.132 1.00 0.75 H new ATOM 0 HE21 GLN A 62 -13.333 -4.772 3.272 1.00 1.02 H new ATOM 0 HE22 GLN A 62 -13.920 -6.327 3.872 1.00 1.02 H new ATOM 947 N THR A 63 -9.371 -4.248 4.320 1.00 0.58 N ATOM 948 CA THR A 63 -9.601 -3.284 5.525 1.00 0.62 C ATOM 949 C THR A 63 -9.499 -1.712 5.256 1.00 0.76 C ATOM 950 O THR A 63 -8.539 -1.249 4.651 1.00 1.28 O ATOM 951 CB THR A 63 -8.739 -3.663 6.783 1.00 0.59 C ATOM 952 OG1 THR A 63 -7.352 -3.769 6.464 1.00 0.63 O ATOM 953 CG2 THR A 63 -9.200 -4.967 7.461 1.00 0.60 C ATOM 0 H THR A 63 -9.971 -5.070 4.386 1.00 0.58 H new ATOM 0 HA THR A 63 -10.659 -3.458 5.720 1.00 0.62 H new ATOM 0 HB THR A 63 -8.888 -2.844 7.487 1.00 0.59 H new ATOM 0 HG1 THR A 63 -7.177 -4.640 6.049 1.00 0.63 H new ATOM 0 HG21 THR A 63 -8.565 -5.173 8.322 1.00 0.60 H new ATOM 0 HG22 THR A 63 -10.234 -4.860 7.790 1.00 0.60 H new ATOM 0 HG23 THR A 63 -9.128 -5.791 6.751 1.00 0.60 H new ATOM 961 N GLU A 64 -10.466 -0.894 5.771 1.00 0.57 N ATOM 962 CA GLU A 64 -10.497 0.597 5.496 1.00 0.60 C ATOM 963 C GLU A 64 -10.244 1.543 6.705 1.00 0.64 C ATOM 964 O GLU A 64 -10.814 1.372 7.781 1.00 0.69 O ATOM 965 CB GLU A 64 -11.880 1.005 4.908 1.00 0.67 C ATOM 966 CG GLU A 64 -13.091 0.380 5.625 1.00 0.84 C ATOM 967 CD GLU A 64 -14.413 0.882 5.079 1.00 1.07 C ATOM 968 OE1 GLU A 64 -14.803 2.017 5.423 1.00 1.50 O ATOM 969 OE2 GLU A 64 -15.060 0.141 4.309 1.00 1.53 O ATOM 0 H GLU A 64 -11.225 -1.223 6.368 1.00 0.57 H new ATOM 0 HA GLU A 64 -9.662 0.731 4.808 1.00 0.60 H new ATOM 0 HB2 GLU A 64 -11.971 2.090 4.948 1.00 0.67 H new ATOM 0 HB3 GLU A 64 -11.911 0.721 3.856 1.00 0.67 H new ATOM 0 HG2 GLU A 64 -13.049 -0.705 5.524 1.00 0.84 H new ATOM 0 HG3 GLU A 64 -13.033 0.604 6.690 1.00 0.84 H new ATOM 976 N ARG A 65 -9.356 2.545 6.478 1.00 0.74 N ATOM 977 CA ARG A 65 -9.034 3.616 7.461 1.00 0.91 C ATOM 978 C ARG A 65 -9.304 4.977 6.778 1.00 1.19 C ATOM 979 O ARG A 65 -8.452 5.506 6.055 1.00 2.12 O ATOM 980 CB ARG A 65 -7.554 3.543 7.944 1.00 0.98 C ATOM 981 CG ARG A 65 -7.349 3.617 9.485 1.00 0.90 C ATOM 982 CD ARG A 65 -5.861 3.478 9.920 1.00 0.96 C ATOM 983 NE ARG A 65 -5.428 2.083 9.967 1.00 1.63 N ATOM 984 CZ ARG A 65 -4.155 1.695 9.969 1.00 2.39 C ATOM 985 NH1 ARG A 65 -3.185 2.558 9.717 1.00 2.86 N ATOM 986 NH2 ARG A 65 -3.853 0.423 10.188 1.00 3.22 N ATOM 0 H ARG A 65 -8.839 2.634 5.603 1.00 0.74 H new ATOM 0 HA ARG A 65 -9.658 3.489 8.346 1.00 0.91 H new ATOM 0 HB2 ARG A 65 -7.117 2.613 7.581 1.00 0.98 H new ATOM 0 HB3 ARG A 65 -6.998 4.358 7.481 1.00 0.98 H new ATOM 0 HG2 ARG A 65 -7.739 4.567 9.850 1.00 0.90 H new ATOM 0 HG3 ARG A 65 -7.933 2.829 9.960 1.00 0.90 H new ATOM 0 HD2 ARG A 65 -5.228 4.030 9.225 1.00 0.96 H new ATOM 0 HD3 ARG A 65 -5.727 3.932 10.902 1.00 0.96 H new ATOM 0 HE ARG A 65 -6.147 1.361 10.000 1.00 1.63 H new ATOM 0 HH11 ARG A 65 -3.409 3.533 9.518 1.00 2.86 H new ATOM 0 HH12 ARG A 65 -2.213 2.248 9.721 1.00 2.86 H new ATOM 0 HH21 ARG A 65 -4.596 -0.256 10.354 1.00 3.22 H new ATOM 0 HH22 ARG A 65 -2.878 0.123 10.190 1.00 3.22 H new ATOM 1000 N TYR A 66 -10.511 5.528 7.020 1.00 0.77 N ATOM 1001 CA TYR A 66 -10.968 6.786 6.381 1.00 0.92 C ATOM 1002 C TYR A 66 -10.978 8.009 7.335 1.00 1.10 C ATOM 1003 O TYR A 66 -11.403 7.918 8.492 1.00 1.80 O ATOM 1004 CB TYR A 66 -12.384 6.529 5.809 1.00 1.58 C ATOM 1005 CG TYR A 66 -12.977 7.636 4.918 1.00 1.83 C ATOM 1006 CD1 TYR A 66 -12.383 7.992 3.696 1.00 2.21 C ATOM 1007 CD2 TYR A 66 -14.122 8.336 5.307 1.00 2.35 C ATOM 1008 CE1 TYR A 66 -12.915 8.998 2.907 1.00 2.72 C ATOM 1009 CE2 TYR A 66 -14.651 9.344 4.515 1.00 2.90 C ATOM 1010 CZ TYR A 66 -14.062 9.623 3.280 1.00 2.96 C ATOM 1011 OH TYR A 66 -14.568 10.667 2.538 1.00 3.66 O ATOM 0 H TYR A 66 -11.194 5.120 7.658 1.00 0.77 H new ATOM 0 HA TYR A 66 -10.258 7.048 5.597 1.00 0.92 H new ATOM 0 HB2 TYR A 66 -12.356 5.605 5.232 1.00 1.58 H new ATOM 0 HB3 TYR A 66 -13.064 6.363 6.644 1.00 1.58 H new ATOM 0 HD1 TYR A 66 -11.496 7.472 3.366 1.00 2.21 H new ATOM 0 HD2 TYR A 66 -14.604 8.088 6.241 1.00 2.35 H new ATOM 0 HE1 TYR A 66 -12.417 9.286 1.993 1.00 2.72 H new ATOM 0 HE2 TYR A 66 -15.509 9.907 4.850 1.00 2.90 H new ATOM 0 HH TYR A 66 -13.942 10.890 1.818 1.00 3.66 H new ATOM 1021 N ASN A 67 -10.525 9.161 6.791 1.00 1.30 N ATOM 1022 CA ASN A 67 -10.467 10.434 7.533 1.00 1.97 C ATOM 1023 C ASN A 67 -11.333 11.525 6.828 1.00 1.59 C ATOM 1024 O ASN A 67 -12.510 11.674 7.167 1.00 1.69 O ATOM 1025 CB ASN A 67 -8.985 10.878 7.708 1.00 3.06 C ATOM 1026 CG ASN A 67 -8.697 11.636 9.012 1.00 3.99 C ATOM 1027 OD1 ASN A 67 -9.396 11.476 10.014 1.00 4.39 O ATOM 1028 ND2 ASN A 67 -7.662 12.468 8.992 1.00 4.70 N ATOM 0 H ASN A 67 -10.192 9.231 5.830 1.00 1.30 H new ATOM 0 HA ASN A 67 -10.889 10.291 8.528 1.00 1.97 H new ATOM 0 HB2 ASN A 67 -8.347 9.995 7.667 1.00 3.06 H new ATOM 0 HB3 ASN A 67 -8.707 11.511 6.866 1.00 3.06 H new ATOM 0 HD21 ASN A 67 -7.421 13.003 9.827 1.00 4.70 H new ATOM 0 HD22 ASN A 67 -7.108 12.572 8.142 1.00 4.70 H new ATOM 1035 N GLU A 68 -10.752 12.277 5.856 1.00 1.31 N ATOM 1036 CA GLU A 68 -11.496 13.342 5.141 1.00 1.11 C ATOM 1037 C GLU A 68 -10.800 13.826 3.842 1.00 0.91 C ATOM 1038 O GLU A 68 -11.403 13.755 2.768 1.00 1.18 O ATOM 1039 CB GLU A 68 -11.794 14.563 6.071 1.00 1.42 C ATOM 1040 CG GLU A 68 -10.587 15.099 6.861 1.00 1.26 C ATOM 1041 CD GLU A 68 -10.962 16.237 7.793 1.00 1.99 C ATOM 1042 OE1 GLU A 68 -11.343 15.958 8.948 1.00 2.25 O ATOM 1043 OE2 GLU A 68 -10.875 17.408 7.365 1.00 2.55 O ATOM 0 H GLU A 68 -9.784 12.166 5.554 1.00 1.31 H new ATOM 0 HA GLU A 68 -12.437 12.878 4.844 1.00 1.11 H new ATOM 0 HB2 GLU A 68 -12.197 15.372 5.462 1.00 1.42 H new ATOM 0 HB3 GLU A 68 -12.573 14.278 6.779 1.00 1.42 H new ATOM 0 HG2 GLU A 68 -10.147 14.288 7.442 1.00 1.26 H new ATOM 0 HG3 GLU A 68 -9.823 15.442 6.163 1.00 1.26 H new ATOM 1050 N ASP A 69 -9.532 14.309 3.939 1.00 0.76 N ATOM 1051 CA ASP A 69 -8.786 14.861 2.774 1.00 0.75 C ATOM 1052 C ASP A 69 -7.302 15.121 3.113 1.00 0.69 C ATOM 1053 O ASP A 69 -6.992 15.842 4.071 1.00 1.33 O ATOM 1054 CB ASP A 69 -9.445 16.176 2.179 1.00 1.17 C ATOM 1055 CG ASP A 69 -9.807 17.316 3.172 1.00 1.63 C ATOM 1056 OD1 ASP A 69 -10.913 17.269 3.751 1.00 2.06 O ATOM 1057 OD2 ASP A 69 -8.979 18.234 3.352 1.00 2.15 O ATOM 0 H ASP A 69 -9.005 14.327 4.812 1.00 0.76 H new ATOM 0 HA ASP A 69 -8.841 14.091 2.004 1.00 0.75 H new ATOM 0 HB2 ASP A 69 -8.763 16.585 1.433 1.00 1.17 H new ATOM 0 HB3 ASP A 69 -10.355 15.887 1.654 1.00 1.17 H new ATOM 1062 N SER A 70 -6.382 14.523 2.296 1.00 0.72 N ATOM 1063 CA SER A 70 -4.889 14.659 2.435 1.00 0.57 C ATOM 1064 C SER A 70 -4.337 14.003 3.733 1.00 0.53 C ATOM 1065 O SER A 70 -4.142 14.678 4.752 1.00 0.57 O ATOM 1066 CB SER A 70 -4.471 16.148 2.336 1.00 0.70 C ATOM 1067 OG SER A 70 -3.135 16.301 1.865 1.00 0.77 O ATOM 0 H SER A 70 -6.654 13.927 1.514 1.00 0.72 H new ATOM 0 HA SER A 70 -4.441 14.111 1.606 1.00 0.57 H new ATOM 0 HB2 SER A 70 -5.153 16.671 1.666 1.00 0.70 H new ATOM 0 HB3 SER A 70 -4.565 16.616 3.316 1.00 0.70 H new ATOM 0 HG SER A 70 -2.913 17.254 1.816 1.00 0.77 H new ATOM 1073 N PHE A 71 -4.103 12.686 3.670 1.00 0.49 N ATOM 1074 CA PHE A 71 -3.610 11.929 4.834 1.00 0.47 C ATOM 1075 C PHE A 71 -2.592 10.853 4.429 1.00 0.33 C ATOM 1076 O PHE A 71 -2.726 10.188 3.385 1.00 0.39 O ATOM 1077 CB PHE A 71 -4.780 11.379 5.728 1.00 0.66 C ATOM 1078 CG PHE A 71 -6.030 10.808 5.036 1.00 0.54 C ATOM 1079 CD1 PHE A 71 -6.960 11.656 4.427 1.00 0.75 C ATOM 1080 CD2 PHE A 71 -6.315 9.439 5.061 1.00 0.73 C ATOM 1081 CE1 PHE A 71 -8.120 11.151 3.853 1.00 0.81 C ATOM 1082 CE2 PHE A 71 -7.479 8.940 4.498 1.00 0.78 C ATOM 1083 CZ PHE A 71 -8.379 9.796 3.893 1.00 0.67 C ATOM 0 H PHE A 71 -4.245 12.123 2.832 1.00 0.49 H new ATOM 0 HA PHE A 71 -3.067 12.630 5.467 1.00 0.47 H new ATOM 0 HB2 PHE A 71 -4.369 10.597 6.367 1.00 0.66 H new ATOM 0 HB3 PHE A 71 -5.105 12.188 6.383 1.00 0.66 H new ATOM 0 HD1 PHE A 71 -6.774 12.720 4.402 1.00 0.75 H new ATOM 0 HD2 PHE A 71 -5.617 8.760 5.527 1.00 0.73 H new ATOM 0 HE1 PHE A 71 -8.820 11.820 3.375 1.00 0.81 H new ATOM 0 HE2 PHE A 71 -7.683 7.880 4.532 1.00 0.78 H new ATOM 0 HZ PHE A 71 -9.284 9.405 3.452 1.00 0.67 H new ATOM 1093 N GLY A 72 -1.526 10.741 5.251 1.00 0.31 N ATOM 1094 CA GLY A 72 -0.455 9.793 4.968 1.00 0.41 C ATOM 1095 C GLY A 72 0.330 9.265 6.173 1.00 0.33 C ATOM 1096 O GLY A 72 -0.044 9.442 7.339 1.00 0.47 O ATOM 0 H GLY A 72 -1.395 11.291 6.100 1.00 0.31 H new ATOM 0 HA2 GLY A 72 -0.885 8.941 4.441 1.00 0.41 H new ATOM 0 HA3 GLY A 72 0.249 10.268 4.285 1.00 0.41 H new ATOM 1100 N TYR A 73 1.453 8.614 5.836 1.00 0.28 N ATOM 1101 CA TYR A 73 2.360 7.955 6.802 1.00 0.24 C ATOM 1102 C TYR A 73 3.826 8.464 6.740 1.00 0.21 C ATOM 1103 O TYR A 73 4.229 9.192 5.815 1.00 0.27 O ATOM 1104 CB TYR A 73 2.415 6.425 6.553 1.00 0.36 C ATOM 1105 CG TYR A 73 1.171 5.774 5.925 1.00 0.33 C ATOM 1106 CD1 TYR A 73 0.819 6.052 4.607 1.00 0.47 C ATOM 1107 CD2 TYR A 73 0.383 4.860 6.622 1.00 0.48 C ATOM 1108 CE1 TYR A 73 -0.268 5.460 4.008 1.00 0.63 C ATOM 1109 CE2 TYR A 73 -0.704 4.254 6.017 1.00 0.62 C ATOM 1110 CZ TYR A 73 -1.023 4.561 4.712 1.00 0.68 C ATOM 1111 OH TYR A 73 -2.095 3.960 4.104 1.00 0.89 O ATOM 0 H TYR A 73 1.766 8.526 4.869 1.00 0.28 H new ATOM 0 HA TYR A 73 1.941 8.199 7.778 1.00 0.24 H new ATOM 0 HB2 TYR A 73 3.268 6.217 5.907 1.00 0.36 H new ATOM 0 HB3 TYR A 73 2.610 5.934 7.506 1.00 0.36 H new ATOM 0 HD1 TYR A 73 1.416 6.751 4.040 1.00 0.47 H new ATOM 0 HD2 TYR A 73 0.624 4.622 7.647 1.00 0.48 H new ATOM 0 HE1 TYR A 73 -0.525 5.703 2.987 1.00 0.63 H new ATOM 0 HE2 TYR A 73 -1.301 3.542 6.567 1.00 0.62 H new ATOM 0 HH TYR A 73 -1.849 3.697 3.193 1.00 0.89 H new ATOM 1121 N ASP A 74 4.628 7.988 7.729 1.00 0.17 N ATOM 1122 CA ASP A 74 6.063 8.345 7.877 1.00 0.16 C ATOM 1123 C ASP A 74 6.973 7.087 8.003 1.00 0.15 C ATOM 1124 O ASP A 74 6.675 6.162 8.769 1.00 0.24 O ATOM 1125 CB ASP A 74 6.260 9.221 9.137 1.00 0.21 C ATOM 1126 CG ASP A 74 6.038 10.714 8.901 1.00 0.26 C ATOM 1127 OD1 ASP A 74 5.106 11.067 8.151 1.00 0.51 O ATOM 1128 OD2 ASP A 74 6.795 11.524 9.478 1.00 0.40 O ATOM 0 H ASP A 74 4.296 7.344 8.447 1.00 0.17 H new ATOM 0 HA ASP A 74 6.350 8.889 6.977 1.00 0.16 H new ATOM 0 HB2 ASP A 74 5.574 8.881 9.913 1.00 0.21 H new ATOM 0 HB3 ASP A 74 7.271 9.071 9.516 1.00 0.21 H new ATOM 1133 N ILE A 75 8.097 7.082 7.249 1.00 0.10 N ATOM 1134 CA ILE A 75 9.090 5.971 7.267 1.00 0.09 C ATOM 1135 C ILE A 75 10.520 6.552 7.536 1.00 0.08 C ATOM 1136 O ILE A 75 11.111 7.131 6.631 1.00 0.12 O ATOM 1137 CB ILE A 75 9.109 5.123 5.906 1.00 0.11 C ATOM 1138 CG1 ILE A 75 7.702 4.689 5.459 1.00 0.13 C ATOM 1139 CG2 ILE A 75 9.960 3.820 5.997 1.00 0.14 C ATOM 1140 CD1 ILE A 75 7.117 5.488 4.321 1.00 0.15 C ATOM 0 H ILE A 75 8.344 7.841 6.613 1.00 0.10 H new ATOM 0 HA ILE A 75 8.791 5.291 8.065 1.00 0.09 H new ATOM 0 HB ILE A 75 9.553 5.811 5.186 1.00 0.11 H new ATOM 0 HG12 ILE A 75 7.739 3.640 5.165 1.00 0.13 H new ATOM 0 HG13 ILE A 75 7.029 4.757 6.314 1.00 0.13 H new ATOM 0 HG21 ILE A 75 9.928 3.297 5.041 1.00 0.14 H new ATOM 0 HG22 ILE A 75 10.992 4.076 6.236 1.00 0.14 H new ATOM 0 HG23 ILE A 75 9.556 3.175 6.777 1.00 0.14 H new ATOM 0 HD11 ILE A 75 6.125 5.106 4.080 1.00 0.15 H new ATOM 0 HD12 ILE A 75 7.041 6.535 4.613 1.00 0.15 H new ATOM 0 HD13 ILE A 75 7.762 5.401 3.446 1.00 0.15 H new ATOM 1152 N PRO A 76 11.093 6.425 8.775 1.00 0.09 N ATOM 1153 CA PRO A 76 12.468 6.900 9.063 1.00 0.10 C ATOM 1154 C PRO A 76 13.602 5.887 8.696 1.00 0.09 C ATOM 1155 O PRO A 76 13.639 4.767 9.214 1.00 0.11 O ATOM 1156 CB PRO A 76 12.406 7.174 10.564 1.00 0.14 C ATOM 1157 CG PRO A 76 11.479 6.108 11.097 1.00 0.15 C ATOM 1158 CD PRO A 76 10.451 5.869 9.995 1.00 0.12 C ATOM 0 HA PRO A 76 12.734 7.765 8.455 1.00 0.10 H new ATOM 0 HB2 PRO A 76 13.393 7.109 11.022 1.00 0.14 H new ATOM 0 HB3 PRO A 76 12.024 8.174 10.771 1.00 0.14 H new ATOM 0 HG2 PRO A 76 12.025 5.194 11.328 1.00 0.15 H new ATOM 0 HG3 PRO A 76 10.997 6.433 12.019 1.00 0.15 H new ATOM 0 HD2 PRO A 76 10.229 4.808 9.880 1.00 0.12 H new ATOM 0 HD3 PRO A 76 9.508 6.371 10.213 1.00 0.12 H new ATOM 1166 N ILE A 77 14.509 6.311 7.791 1.00 0.09 N ATOM 1167 CA ILE A 77 15.645 5.469 7.317 1.00 0.10 C ATOM 1168 C ILE A 77 17.010 6.226 7.458 1.00 0.13 C ATOM 1169 O ILE A 77 17.069 7.458 7.555 1.00 0.19 O ATOM 1170 CB ILE A 77 15.450 4.997 5.803 1.00 0.12 C ATOM 1171 CG1 ILE A 77 13.958 4.817 5.441 1.00 0.11 C ATOM 1172 CG2 ILE A 77 16.168 3.636 5.481 1.00 0.18 C ATOM 1173 CD1 ILE A 77 13.343 5.863 4.544 1.00 0.19 C ATOM 0 H ILE A 77 14.482 7.238 7.367 1.00 0.09 H new ATOM 0 HA ILE A 77 15.660 4.583 7.952 1.00 0.10 H new ATOM 0 HB ILE A 77 15.899 5.795 5.212 1.00 0.12 H new ATOM 0 HG12 ILE A 77 13.840 3.846 4.960 1.00 0.11 H new ATOM 0 HG13 ILE A 77 13.385 4.785 6.368 1.00 0.11 H new ATOM 0 HG21 ILE A 77 15.997 3.372 4.437 1.00 0.18 H new ATOM 0 HG22 ILE A 77 17.239 3.739 5.658 1.00 0.18 H new ATOM 0 HG23 ILE A 77 15.767 2.852 6.124 1.00 0.18 H new ATOM 0 HD11 ILE A 77 12.295 5.620 4.367 1.00 0.19 H new ATOM 0 HD12 ILE A 77 13.414 6.840 5.023 1.00 0.19 H new ATOM 0 HD13 ILE A 77 13.875 5.886 3.593 1.00 0.19 H new ATOM 1185 N LYS A 78 18.096 5.433 7.459 1.00 0.15 N ATOM 1186 CA LYS A 78 19.484 5.928 7.548 1.00 0.20 C ATOM 1187 C LYS A 78 20.483 4.995 6.796 1.00 0.21 C ATOM 1188 O LYS A 78 21.680 4.992 7.109 1.00 0.25 O ATOM 1189 CB LYS A 78 19.922 6.066 9.028 1.00 0.27 C ATOM 1190 CG LYS A 78 19.332 7.288 9.765 1.00 0.87 C ATOM 1191 CD LYS A 78 19.761 7.352 11.249 1.00 1.32 C ATOM 1192 CE LYS A 78 19.107 8.526 11.993 1.00 1.91 C ATOM 1193 NZ LYS A 78 19.530 8.574 13.419 1.00 2.53 N ATOM 0 H LYS A 78 18.035 4.417 7.397 1.00 0.15 H new ATOM 0 HA LYS A 78 19.504 6.907 7.069 1.00 0.20 H new ATOM 0 HB2 LYS A 78 19.633 5.162 9.564 1.00 0.27 H new ATOM 0 HB3 LYS A 78 21.010 6.126 9.067 1.00 0.27 H new ATOM 0 HG2 LYS A 78 19.649 8.200 9.259 1.00 0.87 H new ATOM 0 HG3 LYS A 78 18.244 7.252 9.706 1.00 0.87 H new ATOM 0 HD2 LYS A 78 19.494 6.418 11.743 1.00 1.32 H new ATOM 0 HD3 LYS A 78 20.845 7.446 11.308 1.00 1.32 H new ATOM 0 HE2 LYS A 78 19.373 9.462 11.502 1.00 1.91 H new ATOM 0 HE3 LYS A 78 18.022 8.434 11.937 1.00 1.91 H new ATOM 0 HZ1 LYS A 78 19.070 9.378 13.891 1.00 2.53 H new ATOM 0 HZ2 LYS A 78 19.254 7.690 13.893 1.00 2.53 H new ATOM 0 HZ3 LYS A 78 20.563 8.687 13.471 1.00 2.53 H new ATOM 1207 N GLU A 79 19.994 4.211 5.792 1.00 0.19 N ATOM 1208 CA GLU A 79 20.842 3.293 5.017 1.00 0.22 C ATOM 1209 C GLU A 79 20.637 3.479 3.500 1.00 0.20 C ATOM 1210 O GLU A 79 19.622 4.032 3.050 1.00 0.18 O ATOM 1211 CB GLU A 79 20.530 1.838 5.410 1.00 0.24 C ATOM 1212 CG GLU A 79 21.092 1.402 6.771 1.00 0.55 C ATOM 1213 CD GLU A 79 20.691 -0.016 7.134 1.00 1.17 C ATOM 1214 OE1 GLU A 79 19.609 -0.193 7.732 1.00 2.12 O ATOM 1215 OE2 GLU A 79 21.459 -0.949 6.816 1.00 1.03 O ATOM 0 H GLU A 79 19.014 4.206 5.510 1.00 0.19 H new ATOM 0 HA GLU A 79 21.883 3.522 5.247 1.00 0.22 H new ATOM 0 HB2 GLU A 79 19.448 1.703 5.420 1.00 0.24 H new ATOM 0 HB3 GLU A 79 20.927 1.176 4.640 1.00 0.24 H new ATOM 0 HG2 GLU A 79 22.179 1.476 6.753 1.00 0.55 H new ATOM 0 HG3 GLU A 79 20.739 2.086 7.543 1.00 0.55 H new ATOM 1222 N GLU A 80 21.604 2.988 2.708 1.00 0.26 N ATOM 1223 CA GLU A 80 21.550 3.118 1.245 1.00 0.25 C ATOM 1224 C GLU A 80 21.551 1.770 0.501 1.00 0.27 C ATOM 1225 O GLU A 80 22.212 0.802 0.902 1.00 0.32 O ATOM 1226 CB GLU A 80 22.736 3.965 0.757 1.00 0.27 C ATOM 1227 CG GLU A 80 22.703 5.451 1.171 1.00 0.28 C ATOM 1228 CD GLU A 80 23.844 5.811 2.106 1.00 0.36 C ATOM 1229 OE1 GLU A 80 24.960 6.070 1.609 1.00 0.40 O ATOM 1230 OE2 GLU A 80 23.620 5.834 3.334 1.00 0.42 O ATOM 0 H GLU A 80 22.429 2.499 3.056 1.00 0.26 H new ATOM 0 HA GLU A 80 20.601 3.602 1.017 1.00 0.25 H new ATOM 0 HB2 GLU A 80 23.657 3.521 1.134 1.00 0.27 H new ATOM 0 HB3 GLU A 80 22.777 3.909 -0.331 1.00 0.27 H new ATOM 0 HG2 GLU A 80 22.755 6.076 0.280 1.00 0.28 H new ATOM 0 HG3 GLU A 80 21.753 5.670 1.659 1.00 0.28 H new ATOM 1237 N GLY A 81 20.801 1.756 -0.604 1.00 0.22 N ATOM 1238 CA GLY A 81 20.683 0.572 -1.458 1.00 0.23 C ATOM 1239 C GLY A 81 19.460 0.627 -2.372 1.00 0.19 C ATOM 1240 O GLY A 81 19.159 1.691 -2.935 1.00 0.18 O ATOM 0 H GLY A 81 20.262 2.559 -0.930 1.00 0.22 H new ATOM 0 HA2 GLY A 81 21.583 0.476 -2.066 1.00 0.23 H new ATOM 0 HA3 GLY A 81 20.625 -0.319 -0.832 1.00 0.23 H new ATOM 1244 N GLU A 82 18.746 -0.516 -2.556 1.00 0.20 N ATOM 1245 CA GLU A 82 17.539 -0.510 -3.398 1.00 0.17 C ATOM 1246 C GLU A 82 16.277 -0.782 -2.555 1.00 0.18 C ATOM 1247 O GLU A 82 16.006 -1.915 -2.173 1.00 0.30 O ATOM 1248 CB GLU A 82 17.647 -1.565 -4.510 1.00 0.19 C ATOM 1249 CG GLU A 82 18.694 -1.310 -5.613 1.00 0.26 C ATOM 1250 CD GLU A 82 18.419 -0.067 -6.445 1.00 0.86 C ATOM 1251 OE1 GLU A 82 17.234 0.302 -6.593 1.00 0.78 O ATOM 1252 OE2 GLU A 82 19.389 0.530 -6.955 1.00 1.75 O ATOM 0 H GLU A 82 18.981 -1.419 -2.145 1.00 0.20 H new ATOM 0 HA GLU A 82 17.457 0.479 -3.849 1.00 0.17 H new ATOM 0 HB2 GLU A 82 17.870 -2.526 -4.046 1.00 0.19 H new ATOM 0 HB3 GLU A 82 16.670 -1.659 -4.984 1.00 0.19 H new ATOM 0 HG2 GLU A 82 19.678 -1.217 -5.153 1.00 0.26 H new ATOM 0 HG3 GLU A 82 18.731 -2.177 -6.273 1.00 0.26 H new ATOM 1259 N TYR A 83 15.481 0.271 -2.294 1.00 0.08 N ATOM 1260 CA TYR A 83 14.249 0.138 -1.488 1.00 0.08 C ATOM 1261 C TYR A 83 13.016 0.053 -2.387 1.00 0.08 C ATOM 1262 O TYR A 83 12.810 0.886 -3.257 1.00 0.12 O ATOM 1263 CB TYR A 83 14.107 1.294 -0.484 1.00 0.10 C ATOM 1264 CG TYR A 83 15.151 1.272 0.636 1.00 0.11 C ATOM 1265 CD1 TYR A 83 16.472 1.670 0.418 1.00 0.16 C ATOM 1266 CD2 TYR A 83 14.810 0.857 1.924 1.00 0.17 C ATOM 1267 CE1 TYR A 83 17.399 1.652 1.438 1.00 0.18 C ATOM 1268 CE2 TYR A 83 15.735 0.841 2.942 1.00 0.19 C ATOM 1269 CZ TYR A 83 17.074 1.225 2.650 1.00 0.16 C ATOM 1270 OH TYR A 83 17.949 1.231 3.710 1.00 0.21 O ATOM 0 H TYR A 83 15.665 1.218 -2.626 1.00 0.08 H new ATOM 0 HA TYR A 83 14.327 -0.790 -0.921 1.00 0.08 H new ATOM 0 HB2 TYR A 83 14.183 2.240 -1.020 1.00 0.10 H new ATOM 0 HB3 TYR A 83 13.112 1.258 -0.041 1.00 0.10 H new ATOM 0 HD1 TYR A 83 16.772 1.997 -0.566 1.00 0.16 H new ATOM 0 HD2 TYR A 83 13.797 0.541 2.126 1.00 0.17 H new ATOM 0 HE1 TYR A 83 18.406 1.991 1.247 1.00 0.18 H new ATOM 0 HE2 TYR A 83 15.451 0.544 3.941 1.00 0.19 H new ATOM 0 HH TYR A 83 17.501 0.875 4.506 1.00 0.21 H new ATOM 1280 N VAL A 84 12.195 -0.972 -2.157 1.00 0.08 N ATOM 1281 CA VAL A 84 10.997 -1.223 -3.005 1.00 0.10 C ATOM 1282 C VAL A 84 9.693 -0.984 -2.199 1.00 0.10 C ATOM 1283 O VAL A 84 9.462 -1.600 -1.151 1.00 0.10 O ATOM 1284 CB VAL A 84 10.972 -2.688 -3.697 1.00 0.11 C ATOM 1285 CG1 VAL A 84 10.164 -2.709 -5.024 1.00 0.13 C ATOM 1286 CG2 VAL A 84 12.369 -3.267 -4.013 1.00 0.20 C ATOM 0 H VAL A 84 12.323 -1.645 -1.401 1.00 0.08 H new ATOM 0 HA VAL A 84 11.060 -0.505 -3.823 1.00 0.10 H new ATOM 0 HB VAL A 84 10.492 -3.307 -2.939 1.00 0.11 H new ATOM 0 HG11 VAL A 84 10.181 -3.715 -5.444 1.00 0.13 H new ATOM 0 HG12 VAL A 84 9.133 -2.415 -4.827 1.00 0.13 H new ATOM 0 HG13 VAL A 84 10.611 -2.012 -5.733 1.00 0.13 H new ATOM 0 HG21 VAL A 84 12.260 -4.249 -4.474 1.00 0.20 H new ATOM 0 HG22 VAL A 84 12.893 -2.600 -4.698 1.00 0.20 H new ATOM 0 HG23 VAL A 84 12.941 -3.361 -3.090 1.00 0.20 H new ATOM 1296 N LEU A 85 8.847 -0.081 -2.740 1.00 0.12 N ATOM 1297 CA LEU A 85 7.556 0.248 -2.127 1.00 0.15 C ATOM 1298 C LEU A 85 6.404 -0.295 -2.996 1.00 0.16 C ATOM 1299 O LEU A 85 6.137 0.192 -4.105 1.00 0.21 O ATOM 1300 CB LEU A 85 7.463 1.781 -1.905 1.00 0.25 C ATOM 1301 CG LEU A 85 6.374 2.309 -0.907 1.00 0.43 C ATOM 1302 CD1 LEU A 85 6.934 3.390 0.012 1.00 0.78 C ATOM 1303 CD2 LEU A 85 5.163 2.882 -1.635 1.00 0.61 C ATOM 0 H LEU A 85 9.042 0.430 -3.601 1.00 0.12 H new ATOM 0 HA LEU A 85 7.471 -0.231 -1.151 1.00 0.15 H new ATOM 0 HB2 LEU A 85 8.435 2.129 -1.555 1.00 0.25 H new ATOM 0 HB3 LEU A 85 7.286 2.250 -2.873 1.00 0.25 H new ATOM 0 HG LEU A 85 6.066 1.446 -0.317 1.00 0.43 H new ATOM 0 HD11 LEU A 85 6.152 3.732 0.690 1.00 0.78 H new ATOM 0 HD12 LEU A 85 7.763 2.982 0.591 1.00 0.78 H new ATOM 0 HD13 LEU A 85 7.288 4.229 -0.587 1.00 0.78 H new ATOM 0 HD21 LEU A 85 4.434 3.236 -0.906 1.00 0.61 H new ATOM 0 HD22 LEU A 85 5.478 3.713 -2.266 1.00 0.61 H new ATOM 0 HD23 LEU A 85 4.710 2.107 -2.254 1.00 0.61 H new ATOM 1315 N VAL A 86 5.761 -1.349 -2.463 1.00 0.17 N ATOM 1316 CA VAL A 86 4.621 -2.040 -3.124 1.00 0.21 C ATOM 1317 C VAL A 86 3.350 -1.841 -2.253 1.00 0.21 C ATOM 1318 O VAL A 86 3.370 -2.041 -1.029 1.00 0.27 O ATOM 1319 CB VAL A 86 4.833 -3.623 -3.391 1.00 0.25 C ATOM 1320 CG1 VAL A 86 4.019 -4.137 -4.613 1.00 0.44 C ATOM 1321 CG2 VAL A 86 6.307 -4.067 -3.599 1.00 0.32 C ATOM 0 H VAL A 86 6.012 -1.752 -1.560 1.00 0.17 H new ATOM 0 HA VAL A 86 4.528 -1.587 -4.111 1.00 0.21 H new ATOM 0 HB VAL A 86 4.471 -4.067 -2.464 1.00 0.25 H new ATOM 0 HG11 VAL A 86 4.198 -5.204 -4.747 1.00 0.44 H new ATOM 0 HG12 VAL A 86 2.956 -3.966 -4.440 1.00 0.44 H new ATOM 0 HG13 VAL A 86 4.332 -3.602 -5.510 1.00 0.44 H new ATOM 0 HG21 VAL A 86 6.342 -5.143 -3.770 1.00 0.32 H new ATOM 0 HG22 VAL A 86 6.725 -3.548 -4.462 1.00 0.32 H new ATOM 0 HG23 VAL A 86 6.890 -3.822 -2.711 1.00 0.32 H new ATOM 1331 N LEU A 87 2.255 -1.453 -2.913 1.00 0.20 N ATOM 1332 CA LEU A 87 0.970 -1.239 -2.222 1.00 0.22 C ATOM 1333 C LEU A 87 -0.203 -1.898 -2.954 1.00 0.22 C ATOM 1334 O LEU A 87 -0.283 -1.883 -4.198 1.00 0.26 O ATOM 1335 CB LEU A 87 0.625 0.278 -2.011 1.00 0.31 C ATOM 1336 CG LEU A 87 1.477 1.354 -2.759 1.00 0.50 C ATOM 1337 CD1 LEU A 87 1.172 1.417 -4.257 1.00 1.25 C ATOM 1338 CD2 LEU A 87 1.270 2.737 -2.142 1.00 0.88 C ATOM 0 H LEU A 87 2.227 -1.280 -3.918 1.00 0.20 H new ATOM 0 HA LEU A 87 1.107 -1.708 -1.248 1.00 0.22 H new ATOM 0 HB2 LEU A 87 -0.416 0.423 -2.299 1.00 0.31 H new ATOM 0 HB3 LEU A 87 0.693 0.487 -0.943 1.00 0.31 H new ATOM 0 HG LEU A 87 2.517 1.049 -2.644 1.00 0.50 H new ATOM 0 HD11 LEU A 87 1.793 2.182 -4.723 1.00 1.25 H new ATOM 0 HD12 LEU A 87 1.384 0.450 -4.713 1.00 1.25 H new ATOM 0 HD13 LEU A 87 0.121 1.665 -4.404 1.00 1.25 H new ATOM 0 HD21 LEU A 87 1.873 3.469 -2.679 1.00 0.88 H new ATOM 0 HD22 LEU A 87 0.218 3.013 -2.211 1.00 0.88 H new ATOM 0 HD23 LEU A 87 1.571 2.717 -1.095 1.00 0.88 H new ATOM 1350 N LYS A 88 -1.125 -2.476 -2.153 1.00 0.23 N ATOM 1351 CA LYS A 88 -2.353 -3.101 -2.692 1.00 0.26 C ATOM 1352 C LYS A 88 -3.558 -2.174 -2.444 1.00 0.27 C ATOM 1353 O LYS A 88 -3.958 -1.932 -1.299 1.00 0.29 O ATOM 1354 CB LYS A 88 -2.622 -4.475 -2.041 1.00 0.31 C ATOM 1355 CG LYS A 88 -3.096 -5.609 -2.979 1.00 0.46 C ATOM 1356 CD LYS A 88 -1.901 -6.310 -3.677 1.00 1.53 C ATOM 1357 CE LYS A 88 -2.329 -7.287 -4.780 1.00 2.13 C ATOM 1358 NZ LYS A 88 -1.157 -7.978 -5.389 1.00 2.52 N ATOM 0 H LYS A 88 -1.043 -2.523 -1.137 1.00 0.23 H new ATOM 0 HA LYS A 88 -2.210 -3.253 -3.762 1.00 0.26 H new ATOM 0 HB2 LYS A 88 -1.707 -4.802 -1.548 1.00 0.31 H new ATOM 0 HB3 LYS A 88 -3.373 -4.341 -1.263 1.00 0.31 H new ATOM 0 HG2 LYS A 88 -3.664 -6.342 -2.406 1.00 0.46 H new ATOM 0 HG3 LYS A 88 -3.770 -5.201 -3.732 1.00 0.46 H new ATOM 0 HD2 LYS A 88 -1.245 -5.553 -4.107 1.00 1.53 H new ATOM 0 HD3 LYS A 88 -1.318 -6.849 -2.930 1.00 1.53 H new ATOM 0 HE2 LYS A 88 -3.013 -8.027 -4.365 1.00 2.13 H new ATOM 0 HE3 LYS A 88 -2.875 -6.747 -5.553 1.00 2.13 H new ATOM 0 HZ1 LYS A 88 -1.384 -8.251 -6.366 1.00 2.52 H new ATOM 0 HZ2 LYS A 88 -0.338 -7.337 -5.390 1.00 2.52 H new ATOM 0 HZ3 LYS A 88 -0.930 -8.829 -4.836 1.00 2.52 H new ATOM 1372 N PHE A 89 -4.120 -1.651 -3.536 1.00 0.27 N ATOM 1373 CA PHE A 89 -5.274 -0.740 -3.472 1.00 0.29 C ATOM 1374 C PHE A 89 -6.566 -1.444 -3.940 1.00 0.31 C ATOM 1375 O PHE A 89 -6.569 -2.143 -4.959 1.00 0.32 O ATOM 1376 CB PHE A 89 -5.029 0.458 -4.410 1.00 0.30 C ATOM 1377 CG PHE A 89 -4.256 1.648 -3.832 1.00 0.28 C ATOM 1378 CD1 PHE A 89 -4.707 2.341 -2.694 1.00 0.36 C ATOM 1379 CD2 PHE A 89 -3.043 2.041 -4.398 1.00 0.25 C ATOM 1380 CE1 PHE A 89 -3.961 3.370 -2.154 1.00 0.40 C ATOM 1381 CE2 PHE A 89 -2.309 3.083 -3.858 1.00 0.26 C ATOM 1382 CZ PHE A 89 -2.926 3.889 -2.827 1.00 0.31 C ATOM 0 H PHE A 89 -3.794 -1.842 -4.484 1.00 0.27 H new ATOM 0 HA PHE A 89 -5.389 -0.418 -2.437 1.00 0.29 H new ATOM 0 HB2 PHE A 89 -4.490 0.097 -5.286 1.00 0.30 H new ATOM 0 HB3 PHE A 89 -5.997 0.819 -4.758 1.00 0.30 H new ATOM 0 HD1 PHE A 89 -5.646 2.065 -2.238 1.00 0.36 H new ATOM 0 HD2 PHE A 89 -2.671 1.525 -5.271 1.00 0.25 H new ATOM 0 HE1 PHE A 89 -4.215 3.760 -1.179 1.00 0.40 H new ATOM 0 HE2 PHE A 89 -1.304 3.288 -4.197 1.00 0.26 H new ATOM 0 HZ PHE A 89 -2.562 4.882 -2.606 1.00 0.31 H new ATOM 1392 N ALA A 90 -7.677 -1.264 -3.181 1.00 0.33 N ATOM 1393 CA ALA A 90 -8.999 -1.874 -3.551 1.00 0.36 C ATOM 1394 C ALA A 90 -10.181 -0.898 -3.238 1.00 0.39 C ATOM 1395 O ALA A 90 -10.117 -0.075 -2.291 1.00 0.37 O ATOM 1396 CB ALA A 90 -9.223 -3.273 -2.890 1.00 0.41 C ATOM 0 H ALA A 90 -7.695 -0.713 -2.323 1.00 0.33 H new ATOM 0 HA ALA A 90 -8.976 -2.041 -4.628 1.00 0.36 H new ATOM 0 HB1 ALA A 90 -10.194 -3.667 -3.192 1.00 0.41 H new ATOM 0 HB2 ALA A 90 -8.438 -3.957 -3.212 1.00 0.41 H new ATOM 0 HB3 ALA A 90 -9.194 -3.172 -1.805 1.00 0.41 H new ATOM 1402 N GLU A 91 -11.256 -0.975 -4.064 1.00 0.46 N ATOM 1403 CA GLU A 91 -12.452 -0.127 -3.901 1.00 0.53 C ATOM 1404 C GLU A 91 -13.744 -0.964 -3.976 1.00 0.63 C ATOM 1405 O GLU A 91 -14.039 -1.581 -5.009 1.00 1.23 O ATOM 1406 CB GLU A 91 -12.475 0.969 -4.989 1.00 0.78 C ATOM 1407 CG GLU A 91 -13.282 2.230 -4.634 1.00 1.80 C ATOM 1408 CD GLU A 91 -13.284 3.249 -5.757 1.00 2.04 C ATOM 1409 OE1 GLU A 91 -14.011 3.036 -6.750 1.00 1.94 O ATOM 1410 OE2 GLU A 91 -12.559 4.261 -5.645 1.00 2.61 O ATOM 0 H GLU A 91 -11.313 -1.621 -4.851 1.00 0.46 H new ATOM 0 HA GLU A 91 -12.404 0.338 -2.917 1.00 0.53 H new ATOM 0 HB2 GLU A 91 -11.448 1.264 -5.206 1.00 0.78 H new ATOM 0 HB3 GLU A 91 -12.884 0.541 -5.904 1.00 0.78 H new ATOM 0 HG2 GLU A 91 -14.309 1.948 -4.401 1.00 1.80 H new ATOM 0 HG3 GLU A 91 -12.865 2.684 -3.735 1.00 1.80 H new ATOM 1417 N VAL A 92 -14.512 -0.970 -2.872 1.00 0.60 N ATOM 1418 CA VAL A 92 -15.792 -1.741 -2.792 1.00 0.76 C ATOM 1419 C VAL A 92 -16.967 -0.871 -2.244 1.00 0.66 C ATOM 1420 O VAL A 92 -17.455 -1.095 -1.131 1.00 1.19 O ATOM 1421 CB VAL A 92 -15.711 -3.135 -1.981 1.00 1.42 C ATOM 1422 CG1 VAL A 92 -15.358 -4.307 -2.917 1.00 2.13 C ATOM 1423 CG2 VAL A 92 -14.727 -3.158 -0.766 1.00 2.00 C ATOM 0 H VAL A 92 -14.281 -0.457 -2.021 1.00 0.60 H new ATOM 0 HA VAL A 92 -15.990 -2.012 -3.829 1.00 0.76 H new ATOM 0 HB VAL A 92 -16.714 -3.244 -1.568 1.00 1.42 H new ATOM 0 HG11 VAL A 92 -15.311 -5.231 -2.341 1.00 2.13 H new ATOM 0 HG12 VAL A 92 -16.122 -4.399 -3.689 1.00 2.13 H new ATOM 0 HG13 VAL A 92 -14.391 -4.121 -3.384 1.00 2.13 H new ATOM 0 HG21 VAL A 92 -14.753 -4.141 -0.295 1.00 2.00 H new ATOM 0 HG22 VAL A 92 -13.715 -2.948 -1.113 1.00 2.00 H new ATOM 0 HG23 VAL A 92 -15.026 -2.401 -0.041 1.00 2.00 H new ATOM 1433 N TYR A 93 -17.408 0.119 -3.050 1.00 0.76 N ATOM 1434 CA TYR A 93 -18.524 1.025 -2.678 1.00 0.80 C ATOM 1435 C TYR A 93 -19.110 1.759 -3.909 1.00 0.86 C ATOM 1436 O TYR A 93 -20.330 1.772 -4.091 1.00 1.46 O ATOM 1437 CB TYR A 93 -18.072 2.058 -1.617 1.00 1.23 C ATOM 1438 CG TYR A 93 -18.949 2.105 -0.350 1.00 0.97 C ATOM 1439 CD1 TYR A 93 -18.824 1.129 0.646 1.00 1.14 C ATOM 1440 CD2 TYR A 93 -19.899 3.115 -0.145 1.00 1.01 C ATOM 1441 CE1 TYR A 93 -19.608 1.159 1.788 1.00 1.47 C ATOM 1442 CE2 TYR A 93 -20.680 3.142 0.997 1.00 1.43 C ATOM 1443 CZ TYR A 93 -20.530 2.166 1.956 1.00 1.67 C ATOM 1444 OH TYR A 93 -21.309 2.196 3.089 1.00 2.27 O ATOM 0 H TYR A 93 -17.008 0.314 -3.968 1.00 0.76 H new ATOM 0 HA TYR A 93 -19.308 0.399 -2.253 1.00 0.80 H new ATOM 0 HB2 TYR A 93 -17.046 1.833 -1.324 1.00 1.23 H new ATOM 0 HB3 TYR A 93 -18.064 3.048 -2.074 1.00 1.23 H new ATOM 0 HD1 TYR A 93 -18.101 0.336 0.522 1.00 1.14 H new ATOM 0 HD2 TYR A 93 -20.024 3.886 -0.891 1.00 1.01 H new ATOM 0 HE1 TYR A 93 -19.496 0.395 2.543 1.00 1.47 H new ATOM 0 HE2 TYR A 93 -21.407 3.929 1.136 1.00 1.43 H new ATOM 0 HH TYR A 93 -20.817 1.795 3.835 1.00 2.27 H new ATOM 1454 N PHE A 94 -18.235 2.368 -4.750 1.00 0.78 N ATOM 1455 CA PHE A 94 -18.668 3.103 -5.960 1.00 0.82 C ATOM 1456 C PHE A 94 -17.997 2.535 -7.225 1.00 0.76 C ATOM 1457 O PHE A 94 -16.771 2.381 -7.279 1.00 0.79 O ATOM 1458 CB PHE A 94 -18.327 4.605 -5.844 1.00 1.01 C ATOM 1459 CG PHE A 94 -18.926 5.303 -4.623 1.00 1.11 C ATOM 1460 CD1 PHE A 94 -20.282 5.625 -4.584 1.00 1.31 C ATOM 1461 CD2 PHE A 94 -18.135 5.639 -3.519 1.00 1.13 C ATOM 1462 CE1 PHE A 94 -20.832 6.261 -3.480 1.00 1.46 C ATOM 1463 CE2 PHE A 94 -18.684 6.273 -2.417 1.00 1.23 C ATOM 1464 CZ PHE A 94 -20.032 6.585 -2.396 1.00 1.37 C ATOM 0 H PHE A 94 -17.225 2.363 -4.609 1.00 0.78 H new ATOM 0 HA PHE A 94 -19.748 2.981 -6.041 1.00 0.82 H new ATOM 0 HB2 PHE A 94 -17.243 4.716 -5.814 1.00 1.01 H new ATOM 0 HB3 PHE A 94 -18.675 5.113 -6.743 1.00 1.01 H new ATOM 0 HD1 PHE A 94 -20.913 5.376 -5.424 1.00 1.31 H new ATOM 0 HD2 PHE A 94 -17.082 5.401 -3.526 1.00 1.13 H new ATOM 0 HE1 PHE A 94 -21.884 6.504 -3.466 1.00 1.46 H new ATOM 0 HE2 PHE A 94 -18.059 6.524 -1.573 1.00 1.23 H new ATOM 0 HZ PHE A 94 -20.460 7.080 -1.537 1.00 1.37 H new ATOM 1474 N ALA A 95 -18.823 2.239 -8.260 1.00 0.73 N ATOM 1475 CA ALA A 95 -18.331 1.674 -9.539 1.00 0.73 C ATOM 1476 C ALA A 95 -18.356 2.717 -10.699 1.00 0.72 C ATOM 1477 O ALA A 95 -19.420 3.112 -11.214 1.00 0.84 O ATOM 1478 CB ALA A 95 -19.124 0.388 -9.902 1.00 0.82 C ATOM 0 H ALA A 95 -19.832 2.383 -8.232 1.00 0.73 H new ATOM 0 HA ALA A 95 -17.284 1.403 -9.400 1.00 0.73 H new ATOM 0 HB1 ALA A 95 -18.752 -0.016 -10.844 1.00 0.82 H new ATOM 0 HB2 ALA A 95 -18.996 -0.353 -9.113 1.00 0.82 H new ATOM 0 HB3 ALA A 95 -20.182 0.630 -10.004 1.00 0.82 H new ATOM 1484 N GLN A 96 -17.150 3.206 -11.052 1.00 0.65 N ATOM 1485 CA GLN A 96 -16.968 4.191 -12.149 1.00 0.66 C ATOM 1486 C GLN A 96 -15.499 4.263 -12.632 1.00 0.58 C ATOM 1487 O GLN A 96 -14.555 4.147 -11.840 1.00 0.53 O ATOM 1488 CB GLN A 96 -17.468 5.607 -11.739 1.00 0.72 C ATOM 1489 CG GLN A 96 -16.963 6.113 -10.379 1.00 1.40 C ATOM 1490 CD GLN A 96 -17.619 7.419 -9.975 1.00 1.85 C ATOM 1491 OE1 GLN A 96 -17.111 8.501 -10.270 1.00 2.38 O ATOM 1492 NE2 GLN A 96 -18.760 7.325 -9.300 1.00 2.45 N ATOM 0 H GLN A 96 -16.280 2.936 -10.593 1.00 0.65 H new ATOM 0 HA GLN A 96 -17.577 3.838 -12.981 1.00 0.66 H new ATOM 0 HB2 GLN A 96 -17.165 6.318 -12.508 1.00 0.72 H new ATOM 0 HB3 GLN A 96 -18.558 5.599 -11.723 1.00 0.72 H new ATOM 0 HG2 GLN A 96 -17.159 5.359 -9.617 1.00 1.40 H new ATOM 0 HG3 GLN A 96 -15.882 6.249 -10.422 1.00 1.40 H new ATOM 0 HE21 GLN A 96 -19.146 6.408 -9.076 1.00 2.45 H new ATOM 0 HE22 GLN A 96 -19.250 8.170 -9.006 1.00 2.45 H new ATOM 1501 N SER A 97 -15.332 4.482 -13.953 1.00 0.64 N ATOM 1502 CA SER A 97 -14.000 4.562 -14.595 1.00 0.62 C ATOM 1503 C SER A 97 -13.779 5.894 -15.335 1.00 0.81 C ATOM 1504 O SER A 97 -14.578 6.278 -16.199 1.00 1.66 O ATOM 1505 CB SER A 97 -13.830 3.406 -15.590 1.00 0.68 C ATOM 1506 OG SER A 97 -13.632 2.168 -14.931 1.00 0.73 O ATOM 0 H SER A 97 -16.109 4.608 -14.602 1.00 0.64 H new ATOM 0 HA SER A 97 -13.260 4.496 -13.797 1.00 0.62 H new ATOM 0 HB2 SER A 97 -14.713 3.342 -16.226 1.00 0.68 H new ATOM 0 HB3 SER A 97 -12.981 3.610 -16.242 1.00 0.68 H new ATOM 0 HG SER A 97 -13.530 1.456 -15.596 1.00 0.73 H new ATOM 1512 N GLN A 98 -12.656 6.593 -14.978 1.00 0.55 N ATOM 1513 CA GLN A 98 -12.231 7.929 -15.551 1.00 0.54 C ATOM 1514 C GLN A 98 -13.162 9.101 -15.091 1.00 0.56 C ATOM 1515 O GLN A 98 -13.645 9.902 -15.900 1.00 0.67 O ATOM 1516 CB GLN A 98 -12.143 7.872 -17.105 1.00 0.62 C ATOM 1517 CG GLN A 98 -11.080 8.795 -17.738 1.00 1.06 C ATOM 1518 CD GLN A 98 -9.666 8.264 -17.572 1.00 1.14 C ATOM 1519 OE1 GLN A 98 -8.982 8.581 -16.600 1.00 1.89 O ATOM 1520 NE2 GLN A 98 -9.223 7.447 -18.522 1.00 1.60 N ATOM 0 H GLN A 98 -12.005 6.245 -14.274 1.00 0.55 H new ATOM 0 HA GLN A 98 -11.237 8.136 -15.155 1.00 0.54 H new ATOM 0 HB2 GLN A 98 -11.933 6.845 -17.403 1.00 0.62 H new ATOM 0 HB3 GLN A 98 -13.118 8.131 -17.518 1.00 0.62 H new ATOM 0 HG2 GLN A 98 -11.296 8.916 -18.800 1.00 1.06 H new ATOM 0 HG3 GLN A 98 -11.148 9.784 -17.285 1.00 1.06 H new ATOM 0 HE21 GLN A 98 -9.824 7.210 -19.312 1.00 1.60 H new ATOM 0 HE22 GLN A 98 -8.282 7.057 -18.461 1.00 1.60 H new ATOM 1529 N GLN A 99 -13.385 9.160 -13.770 1.00 0.53 N ATOM 1530 CA GLN A 99 -14.260 10.151 -13.108 1.00 0.58 C ATOM 1531 C GLN A 99 -13.722 10.454 -11.702 1.00 0.57 C ATOM 1532 O GLN A 99 -13.636 11.617 -11.300 1.00 0.62 O ATOM 1533 CB GLN A 99 -15.713 9.631 -12.997 1.00 0.61 C ATOM 1534 CG GLN A 99 -16.513 9.648 -14.308 1.00 1.18 C ATOM 1535 CD GLN A 99 -17.886 9.021 -14.153 1.00 1.71 C ATOM 1536 OE1 GLN A 99 -18.057 7.818 -14.353 1.00 2.56 O ATOM 1537 NE2 GLN A 99 -18.873 9.834 -13.796 1.00 2.02 N ATOM 0 H GLN A 99 -12.955 8.508 -13.114 1.00 0.53 H new ATOM 0 HA GLN A 99 -14.263 11.058 -13.713 1.00 0.58 H new ATOM 0 HB2 GLN A 99 -15.689 8.610 -12.617 1.00 0.61 H new ATOM 0 HB3 GLN A 99 -16.242 10.233 -12.259 1.00 0.61 H new ATOM 0 HG2 GLN A 99 -16.623 10.677 -14.651 1.00 1.18 H new ATOM 0 HG3 GLN A 99 -15.957 9.113 -15.078 1.00 1.18 H new ATOM 0 HE21 GLN A 99 -18.687 10.825 -13.640 1.00 2.02 H new ATOM 0 HE22 GLN A 99 -19.818 9.468 -13.677 1.00 2.02 H new ATOM 1546 N LYS A 100 -13.359 9.375 -10.958 1.00 0.53 N ATOM 1547 CA LYS A 100 -12.769 9.487 -9.619 1.00 0.55 C ATOM 1548 C LYS A 100 -11.275 9.140 -9.709 1.00 0.48 C ATOM 1549 O LYS A 100 -10.859 7.990 -9.526 1.00 0.49 O ATOM 1550 CB LYS A 100 -13.495 8.574 -8.609 1.00 0.64 C ATOM 1551 CG LYS A 100 -14.817 9.158 -8.065 1.00 1.11 C ATOM 1552 CD LYS A 100 -15.515 8.216 -7.060 1.00 1.52 C ATOM 1553 CE LYS A 100 -16.813 8.820 -6.499 1.00 2.14 C ATOM 1554 NZ LYS A 100 -17.472 7.903 -5.530 1.00 2.76 N ATOM 0 H LYS A 100 -13.471 8.413 -11.278 1.00 0.53 H new ATOM 0 HA LYS A 100 -12.883 10.509 -9.257 1.00 0.55 H new ATOM 0 HB2 LYS A 100 -13.703 7.616 -9.086 1.00 0.64 H new ATOM 0 HB3 LYS A 100 -12.827 8.374 -7.771 1.00 0.64 H new ATOM 0 HG2 LYS A 100 -14.615 10.114 -7.581 1.00 1.11 H new ATOM 0 HG3 LYS A 100 -15.491 9.358 -8.898 1.00 1.11 H new ATOM 0 HD2 LYS A 100 -15.740 7.268 -7.549 1.00 1.52 H new ATOM 0 HD3 LYS A 100 -14.834 7.997 -6.238 1.00 1.52 H new ATOM 0 HE2 LYS A 100 -16.591 9.768 -6.010 1.00 2.14 H new ATOM 0 HE3 LYS A 100 -17.498 9.037 -7.319 1.00 2.14 H new ATOM 0 HZ1 LYS A 100 -18.008 8.460 -4.834 1.00 2.76 H new ATOM 0 HZ2 LYS A 100 -18.120 7.268 -6.038 1.00 2.76 H new ATOM 0 HZ3 LYS A 100 -16.749 7.339 -5.039 1.00 2.76 H new ATOM 1568 N VAL A 101 -10.488 10.185 -10.006 1.00 0.45 N ATOM 1569 CA VAL A 101 -9.019 10.084 -10.205 1.00 0.40 C ATOM 1570 C VAL A 101 -8.257 10.742 -9.022 1.00 0.41 C ATOM 1571 O VAL A 101 -8.405 11.936 -8.740 1.00 0.47 O ATOM 1572 CB VAL A 101 -8.510 10.637 -11.627 1.00 0.38 C ATOM 1573 CG1 VAL A 101 -8.510 9.518 -12.689 1.00 0.69 C ATOM 1574 CG2 VAL A 101 -9.297 11.851 -12.208 1.00 0.68 C ATOM 0 H VAL A 101 -10.847 11.133 -10.117 1.00 0.45 H new ATOM 0 HA VAL A 101 -8.787 9.019 -10.219 1.00 0.40 H new ATOM 0 HB VAL A 101 -7.503 10.993 -11.410 1.00 0.38 H new ATOM 0 HG11 VAL A 101 -8.162 9.919 -13.641 1.00 0.69 H new ATOM 0 HG12 VAL A 101 -7.847 8.714 -12.370 1.00 0.69 H new ATOM 0 HG13 VAL A 101 -9.521 9.129 -12.808 1.00 0.69 H new ATOM 0 HG21 VAL A 101 -8.867 12.138 -13.167 1.00 0.68 H new ATOM 0 HG22 VAL A 101 -10.342 11.574 -12.347 1.00 0.68 H new ATOM 0 HG23 VAL A 101 -9.233 12.691 -11.516 1.00 0.68 H new ATOM 1584 N PHE A 102 -7.432 9.915 -8.359 1.00 0.39 N ATOM 1585 CA PHE A 102 -6.680 10.304 -7.135 1.00 0.40 C ATOM 1586 C PHE A 102 -5.189 10.655 -7.355 1.00 0.38 C ATOM 1587 O PHE A 102 -4.693 10.594 -8.461 1.00 0.41 O ATOM 1588 CB PHE A 102 -6.776 9.113 -6.171 1.00 0.42 C ATOM 1589 CG PHE A 102 -8.223 8.697 -5.853 1.00 0.49 C ATOM 1590 CD1 PHE A 102 -9.119 9.583 -5.247 1.00 0.60 C ATOM 1591 CD2 PHE A 102 -8.664 7.400 -6.107 1.00 0.60 C ATOM 1592 CE1 PHE A 102 -10.403 9.181 -4.910 1.00 0.67 C ATOM 1593 CE2 PHE A 102 -9.947 7.004 -5.776 1.00 0.70 C ATOM 1594 CZ PHE A 102 -10.888 7.990 -5.376 1.00 0.69 C ATOM 0 H PHE A 102 -7.261 8.953 -8.651 1.00 0.39 H new ATOM 0 HA PHE A 102 -7.128 11.222 -6.754 1.00 0.40 H new ATOM 0 HB2 PHE A 102 -6.248 8.263 -6.603 1.00 0.42 H new ATOM 0 HB3 PHE A 102 -6.266 9.366 -5.241 1.00 0.42 H new ATOM 0 HD1 PHE A 102 -8.807 10.596 -5.038 1.00 0.60 H new ATOM 0 HD2 PHE A 102 -7.993 6.692 -6.570 1.00 0.60 H new ATOM 0 HE1 PHE A 102 -11.019 9.807 -4.281 1.00 0.67 H new ATOM 0 HE2 PHE A 102 -10.229 5.962 -5.821 1.00 0.70 H new ATOM 0 HZ PHE A 102 -11.950 7.806 -5.438 1.00 0.69 H new ATOM 1604 N ASP A 103 -4.486 11.067 -6.271 1.00 0.36 N ATOM 1605 CA ASP A 103 -3.032 11.397 -6.358 1.00 0.34 C ATOM 1606 C ASP A 103 -2.218 10.647 -5.286 1.00 0.32 C ATOM 1607 O ASP A 103 -2.612 10.575 -4.116 1.00 0.34 O ATOM 1608 CB ASP A 103 -2.738 12.912 -6.248 1.00 0.37 C ATOM 1609 CG ASP A 103 -3.140 13.733 -7.475 1.00 0.85 C ATOM 1610 OD1 ASP A 103 -4.342 13.749 -7.812 1.00 1.30 O ATOM 1611 OD2 ASP A 103 -2.248 14.347 -8.097 1.00 1.33 O ATOM 0 H ASP A 103 -4.888 11.179 -5.340 1.00 0.36 H new ATOM 0 HA ASP A 103 -2.725 11.070 -7.351 1.00 0.34 H new ATOM 0 HB2 ASP A 103 -3.260 13.307 -5.377 1.00 0.37 H new ATOM 0 HB3 ASP A 103 -1.671 13.049 -6.070 1.00 0.37 H new ATOM 1616 N VAL A 104 -1.053 10.111 -5.705 1.00 0.29 N ATOM 1617 CA VAL A 104 -0.158 9.315 -4.823 1.00 0.28 C ATOM 1618 C VAL A 104 1.339 9.828 -4.963 1.00 0.26 C ATOM 1619 O VAL A 104 1.906 9.853 -6.077 1.00 0.25 O ATOM 1620 CB VAL A 104 -0.407 7.725 -5.114 1.00 0.33 C ATOM 1621 CG1 VAL A 104 0.776 6.777 -4.825 1.00 0.31 C ATOM 1622 CG2 VAL A 104 -1.596 7.188 -4.290 1.00 0.48 C ATOM 0 H VAL A 104 -0.703 10.214 -6.658 1.00 0.29 H new ATOM 0 HA VAL A 104 -0.390 9.455 -3.767 1.00 0.28 H new ATOM 0 HB VAL A 104 -0.584 7.713 -6.189 1.00 0.33 H new ATOM 0 HG11 VAL A 104 0.486 5.752 -5.057 1.00 0.31 H new ATOM 0 HG12 VAL A 104 1.629 7.061 -5.441 1.00 0.31 H new ATOM 0 HG13 VAL A 104 1.049 6.847 -3.772 1.00 0.31 H new ATOM 0 HG21 VAL A 104 -1.738 6.129 -4.504 1.00 0.48 H new ATOM 0 HG22 VAL A 104 -1.391 7.319 -3.228 1.00 0.48 H new ATOM 0 HG23 VAL A 104 -2.500 7.736 -4.556 1.00 0.48 H new ATOM 1632 N ARG A 105 1.961 10.169 -3.795 1.00 0.26 N ATOM 1633 CA ARG A 105 3.357 10.705 -3.742 1.00 0.26 C ATOM 1634 C ARG A 105 4.286 10.031 -2.680 1.00 0.23 C ATOM 1635 O ARG A 105 3.831 9.567 -1.626 1.00 0.26 O ATOM 1636 CB ARG A 105 3.356 12.245 -3.475 1.00 0.33 C ATOM 1637 CG ARG A 105 2.083 12.828 -2.817 1.00 0.53 C ATOM 1638 CD ARG A 105 2.228 14.330 -2.514 1.00 0.51 C ATOM 1639 NE ARG A 105 1.059 14.868 -1.822 1.00 0.92 N ATOM 1640 CZ ARG A 105 1.002 16.100 -1.321 1.00 1.25 C ATOM 1641 NH1 ARG A 105 2.032 16.925 -1.458 1.00 1.15 N ATOM 1642 NH2 ARG A 105 -0.085 16.508 -0.682 1.00 1.69 N ATOM 0 H ARG A 105 1.519 10.082 -2.880 1.00 0.26 H new ATOM 0 HA ARG A 105 3.766 10.469 -4.724 1.00 0.26 H new ATOM 0 HB2 ARG A 105 4.209 12.482 -2.839 1.00 0.33 H new ATOM 0 HB3 ARG A 105 3.515 12.756 -4.424 1.00 0.33 H new ATOM 0 HG2 ARG A 105 1.230 12.672 -3.477 1.00 0.53 H new ATOM 0 HG3 ARG A 105 1.874 12.290 -1.892 1.00 0.53 H new ATOM 0 HD2 ARG A 105 3.116 14.492 -1.903 1.00 0.51 H new ATOM 0 HD3 ARG A 105 2.379 14.874 -3.446 1.00 0.51 H new ATOM 0 HE ARG A 105 0.242 14.267 -1.717 1.00 0.92 H new ATOM 0 HH11 ARG A 105 2.871 16.616 -1.949 1.00 1.15 H new ATOM 0 HH12 ARG A 105 1.985 17.868 -1.073 1.00 1.15 H new ATOM 0 HH21 ARG A 105 -0.880 15.878 -0.573 1.00 1.69 H new ATOM 0 HH22 ARG A 105 -0.127 17.452 -0.299 1.00 1.69 H new ATOM 1656 N VAL A 106 5.622 10.027 -2.991 1.00 0.23 N ATOM 1657 CA VAL A 106 6.701 9.462 -2.102 1.00 0.23 C ATOM 1658 C VAL A 106 7.835 10.502 -1.787 1.00 0.22 C ATOM 1659 O VAL A 106 8.590 10.902 -2.677 1.00 0.23 O ATOM 1660 CB VAL A 106 7.358 8.078 -2.590 1.00 0.29 C ATOM 1661 CG1 VAL A 106 6.508 6.864 -2.174 1.00 0.57 C ATOM 1662 CG2 VAL A 106 7.663 7.976 -4.112 1.00 0.60 C ATOM 0 H VAL A 106 5.983 10.414 -3.863 1.00 0.23 H new ATOM 0 HA VAL A 106 6.153 9.230 -1.189 1.00 0.23 H new ATOM 0 HB VAL A 106 8.321 8.070 -2.080 1.00 0.29 H new ATOM 0 HG11 VAL A 106 6.986 5.949 -2.523 1.00 0.57 H new ATOM 0 HG12 VAL A 106 6.420 6.837 -1.088 1.00 0.57 H new ATOM 0 HG13 VAL A 106 5.515 6.946 -2.617 1.00 0.57 H new ATOM 0 HG21 VAL A 106 8.103 7.003 -4.330 1.00 0.60 H new ATOM 0 HG22 VAL A 106 6.738 8.091 -4.677 1.00 0.60 H new ATOM 0 HG23 VAL A 106 8.362 8.763 -4.397 1.00 0.60 H new ATOM 1672 N ASN A 107 7.931 10.916 -0.477 1.00 0.23 N ATOM 1673 CA ASN A 107 8.913 11.938 0.086 1.00 0.23 C ATOM 1674 C ASN A 107 8.707 13.379 -0.477 1.00 0.24 C ATOM 1675 O ASN A 107 9.640 14.191 -0.500 1.00 0.25 O ATOM 1676 CB ASN A 107 10.391 11.515 -0.139 1.00 0.23 C ATOM 1677 CG ASN A 107 11.239 11.486 1.125 1.00 0.27 C ATOM 1678 OD1 ASN A 107 12.107 10.631 1.283 1.00 1.05 O ATOM 1679 ND2 ASN A 107 11.014 12.444 2.013 1.00 1.12 N ATOM 0 H ASN A 107 7.314 10.542 0.244 1.00 0.23 H new ATOM 0 HA ASN A 107 8.699 11.961 1.154 1.00 0.23 H new ATOM 0 HB2 ASN A 107 10.407 10.525 -0.595 1.00 0.23 H new ATOM 0 HB3 ASN A 107 10.848 12.202 -0.852 1.00 0.23 H new ATOM 0 HD21 ASN A 107 11.572 12.490 2.866 1.00 1.12 H new ATOM 0 HD22 ASN A 107 10.283 13.135 1.844 1.00 1.12 H new ATOM 1686 N GLY A 108 7.464 13.677 -0.909 1.00 0.25 N ATOM 1687 CA GLY A 108 7.150 14.962 -1.522 1.00 0.29 C ATOM 1688 C GLY A 108 7.139 14.938 -3.077 1.00 0.29 C ATOM 1689 O GLY A 108 6.823 15.941 -3.720 1.00 0.32 O ATOM 0 H GLY A 108 6.671 13.040 -0.840 1.00 0.25 H new ATOM 0 HA2 GLY A 108 6.174 15.293 -1.168 1.00 0.29 H new ATOM 0 HA3 GLY A 108 7.878 15.700 -1.186 1.00 0.29 H new ATOM 1693 N HIS A 109 7.494 13.761 -3.650 1.00 0.27 N ATOM 1694 CA HIS A 109 7.597 13.508 -5.094 1.00 0.28 C ATOM 1695 C HIS A 109 6.358 12.789 -5.669 1.00 0.30 C ATOM 1696 O HIS A 109 5.864 11.853 -5.067 1.00 0.57 O ATOM 1697 CB HIS A 109 8.800 12.584 -5.279 1.00 0.29 C ATOM 1698 CG HIS A 109 10.143 13.234 -5.092 1.00 0.31 C ATOM 1699 ND1 HIS A 109 10.704 14.094 -6.012 1.00 0.43 N ATOM 1700 CD2 HIS A 109 11.034 13.141 -4.072 1.00 0.27 C ATOM 1701 CE1 HIS A 109 11.880 14.502 -5.570 1.00 0.46 C ATOM 1702 NE2 HIS A 109 12.103 13.939 -4.395 1.00 0.36 N ATOM 0 H HIS A 109 7.723 12.938 -3.092 1.00 0.27 H new ATOM 0 HA HIS A 109 7.688 14.462 -5.613 1.00 0.28 H new ATOM 0 HB2 HIS A 109 8.714 11.757 -4.575 1.00 0.29 H new ATOM 0 HB3 HIS A 109 8.758 12.156 -6.280 1.00 0.29 H new ATOM 0 HD1 HIS A 109 10.278 14.372 -6.896 1.00 0.43 H new ATOM 0 HD2 HIS A 109 10.923 12.550 -3.175 1.00 0.27 H new ATOM 0 HE1 HIS A 109 12.546 15.181 -6.082 1.00 0.46 H new ATOM 1711 N THR A 110 5.888 13.178 -6.873 1.00 0.31 N ATOM 1712 CA THR A 110 4.698 12.506 -7.482 1.00 0.32 C ATOM 1713 C THR A 110 5.076 11.367 -8.446 1.00 0.35 C ATOM 1714 O THR A 110 5.904 11.525 -9.351 1.00 0.47 O ATOM 1715 CB THR A 110 3.682 13.456 -8.203 1.00 0.43 C ATOM 1716 OG1 THR A 110 4.274 14.721 -8.561 1.00 0.55 O ATOM 1717 CG2 THR A 110 2.424 13.698 -7.346 1.00 0.47 C ATOM 0 H THR A 110 6.291 13.928 -7.435 1.00 0.31 H new ATOM 0 HA THR A 110 4.192 12.099 -6.606 1.00 0.32 H new ATOM 0 HB THR A 110 3.392 12.945 -9.121 1.00 0.43 H new ATOM 0 HG1 THR A 110 3.731 15.451 -8.198 1.00 0.55 H new ATOM 0 HG21 THR A 110 1.743 14.361 -7.879 1.00 0.47 H new ATOM 0 HG22 THR A 110 1.927 12.747 -7.152 1.00 0.47 H new ATOM 0 HG23 THR A 110 2.711 14.157 -6.400 1.00 0.47 H new ATOM 1725 N VAL A 111 4.419 10.221 -8.220 1.00 0.29 N ATOM 1726 CA VAL A 111 4.660 8.984 -9.008 1.00 0.35 C ATOM 1727 C VAL A 111 3.388 8.498 -9.763 1.00 0.35 C ATOM 1728 O VAL A 111 3.425 8.345 -10.986 1.00 0.39 O ATOM 1729 CB VAL A 111 5.320 7.784 -8.174 1.00 0.38 C ATOM 1730 CG1 VAL A 111 6.853 7.939 -8.107 1.00 1.06 C ATOM 1731 CG2 VAL A 111 4.771 7.583 -6.725 1.00 1.00 C ATOM 0 H VAL A 111 3.710 10.116 -7.495 1.00 0.29 H new ATOM 0 HA VAL A 111 5.403 9.283 -9.748 1.00 0.35 H new ATOM 0 HB VAL A 111 5.034 6.892 -8.732 1.00 0.38 H new ATOM 0 HG11 VAL A 111 7.278 7.113 -7.536 1.00 1.06 H new ATOM 0 HG12 VAL A 111 7.264 7.931 -9.117 1.00 1.06 H new ATOM 0 HG13 VAL A 111 7.102 8.882 -7.621 1.00 1.06 H new ATOM 0 HG21 VAL A 111 5.286 6.746 -6.253 1.00 1.00 H new ATOM 0 HG22 VAL A 111 4.941 8.489 -6.143 1.00 1.00 H new ATOM 0 HG23 VAL A 111 3.702 7.374 -6.767 1.00 1.00 H new ATOM 1741 N VAL A 112 2.273 8.255 -9.026 1.00 0.33 N ATOM 1742 CA VAL A 112 1.004 7.811 -9.665 1.00 0.35 C ATOM 1743 C VAL A 112 -0.076 8.877 -9.386 1.00 0.34 C ATOM 1744 O VAL A 112 -0.819 8.789 -8.405 1.00 0.32 O ATOM 1745 CB VAL A 112 0.436 6.345 -9.255 1.00 0.37 C ATOM 1746 CG1 VAL A 112 -0.065 5.572 -10.499 1.00 0.44 C ATOM 1747 CG2 VAL A 112 1.432 5.424 -8.509 1.00 0.40 C ATOM 0 H VAL A 112 2.224 8.356 -8.012 1.00 0.33 H new ATOM 0 HA VAL A 112 1.246 7.704 -10.723 1.00 0.35 H new ATOM 0 HB VAL A 112 -0.372 6.577 -8.562 1.00 0.37 H new ATOM 0 HG11 VAL A 112 -0.439 4.595 -10.194 1.00 0.44 H new ATOM 0 HG12 VAL A 112 -0.867 6.134 -10.978 1.00 0.44 H new ATOM 0 HG13 VAL A 112 0.758 5.442 -11.202 1.00 0.44 H new ATOM 0 HG21 VAL A 112 0.950 4.473 -8.284 1.00 0.40 H new ATOM 0 HG22 VAL A 112 2.305 5.248 -9.137 1.00 0.40 H new ATOM 0 HG23 VAL A 112 1.743 5.902 -7.580 1.00 0.40 H new ATOM 1757 N LYS A 113 -0.151 9.877 -10.289 1.00 0.36 N ATOM 1758 CA LYS A 113 -1.129 10.955 -10.176 1.00 0.38 C ATOM 1759 C LYS A 113 -2.223 10.852 -11.247 1.00 0.43 C ATOM 1760 O LYS A 113 -2.085 11.283 -12.394 1.00 0.70 O ATOM 1761 CB LYS A 113 -0.457 12.347 -10.173 1.00 0.42 C ATOM 1762 CG LYS A 113 0.402 12.684 -11.429 1.00 1.12 C ATOM 1763 CD LYS A 113 0.212 14.142 -11.917 1.00 1.27 C ATOM 1764 CE LYS A 113 0.702 15.181 -10.892 1.00 1.50 C ATOM 1765 NZ LYS A 113 2.163 15.059 -10.637 1.00 2.30 N ATOM 0 H LYS A 113 0.460 9.951 -11.103 1.00 0.36 H new ATOM 0 HA LYS A 113 -1.619 10.836 -9.209 1.00 0.38 H new ATOM 0 HB2 LYS A 113 -1.234 13.105 -10.072 1.00 0.42 H new ATOM 0 HB3 LYS A 113 0.178 12.422 -9.290 1.00 0.42 H new ATOM 0 HG2 LYS A 113 1.454 12.518 -11.198 1.00 1.12 H new ATOM 0 HG3 LYS A 113 0.141 11.999 -12.236 1.00 1.12 H new ATOM 0 HD2 LYS A 113 0.751 14.280 -12.854 1.00 1.27 H new ATOM 0 HD3 LYS A 113 -0.843 14.316 -12.128 1.00 1.27 H new ATOM 0 HE2 LYS A 113 0.479 16.184 -11.256 1.00 1.50 H new ATOM 0 HE3 LYS A 113 0.158 15.053 -9.956 1.00 1.50 H new ATOM 0 HZ1 LYS A 113 2.357 15.244 -9.632 1.00 2.30 H new ATOM 0 HZ2 LYS A 113 2.479 14.098 -10.879 1.00 2.30 H new ATOM 0 HZ3 LYS A 113 2.676 15.749 -11.222 1.00 2.30 H new ATOM 1779 N ASP A 114 -3.287 10.212 -10.767 1.00 0.37 N ATOM 1780 CA ASP A 114 -4.579 9.884 -11.433 1.00 0.42 C ATOM 1781 C ASP A 114 -4.834 8.386 -11.251 1.00 0.38 C ATOM 1782 O ASP A 114 -4.728 7.600 -12.201 1.00 0.40 O ATOM 1783 CB ASP A 114 -4.729 10.274 -12.938 1.00 0.50 C ATOM 1784 CG ASP A 114 -5.260 11.693 -13.147 1.00 1.70 C ATOM 1785 OD1 ASP A 114 -4.675 12.636 -12.573 1.00 2.09 O ATOM 1786 OD2 ASP A 114 -6.257 11.853 -13.882 1.00 2.48 O ATOM 0 H ASP A 114 -3.282 9.869 -9.806 1.00 0.37 H new ATOM 0 HA ASP A 114 -5.324 10.511 -10.943 1.00 0.42 H new ATOM 0 HB2 ASP A 114 -3.760 10.181 -13.428 1.00 0.50 H new ATOM 0 HB3 ASP A 114 -5.402 9.567 -13.424 1.00 0.50 H new ATOM 1791 N LEU A 115 -5.164 7.989 -9.993 1.00 0.36 N ATOM 1792 CA LEU A 115 -5.418 6.585 -9.672 1.00 0.36 C ATOM 1793 C LEU A 115 -6.908 6.233 -9.722 1.00 0.38 C ATOM 1794 O LEU A 115 -7.695 6.610 -8.852 1.00 0.42 O ATOM 1795 CB LEU A 115 -4.818 6.157 -8.304 1.00 0.38 C ATOM 1796 CG LEU A 115 -3.886 4.880 -8.277 1.00 0.35 C ATOM 1797 CD1 LEU A 115 -3.681 4.408 -6.864 1.00 1.13 C ATOM 1798 CD2 LEU A 115 -4.381 3.678 -9.099 1.00 1.06 C ATOM 0 H LEU A 115 -5.256 8.625 -9.201 1.00 0.36 H new ATOM 0 HA LEU A 115 -4.906 6.021 -10.451 1.00 0.36 H new ATOM 0 HB2 LEU A 115 -4.246 6.998 -7.911 1.00 0.38 H new ATOM 0 HB3 LEU A 115 -5.645 5.984 -7.615 1.00 0.38 H new ATOM 0 HG LEU A 115 -2.961 5.223 -8.740 1.00 0.35 H new ATOM 0 HD11 LEU A 115 -3.037 3.528 -6.864 1.00 1.13 H new ATOM 0 HD12 LEU A 115 -3.213 5.200 -6.280 1.00 1.13 H new ATOM 0 HD13 LEU A 115 -4.644 4.153 -6.422 1.00 1.13 H new ATOM 0 HD21 LEU A 115 -3.668 2.858 -9.011 1.00 1.06 H new ATOM 0 HD22 LEU A 115 -5.352 3.356 -8.724 1.00 1.06 H new ATOM 0 HD23 LEU A 115 -4.474 3.967 -10.146 1.00 1.06 H new ATOM 1810 N ASP A 116 -7.261 5.559 -10.822 1.00 0.39 N ATOM 1811 CA ASP A 116 -8.613 5.028 -11.055 1.00 0.43 C ATOM 1812 C ASP A 116 -8.526 3.482 -11.002 1.00 0.42 C ATOM 1813 O ASP A 116 -8.216 2.814 -11.999 1.00 0.43 O ATOM 1814 CB ASP A 116 -9.290 5.570 -12.381 1.00 0.46 C ATOM 1815 CG ASP A 116 -8.408 5.649 -13.653 1.00 1.55 C ATOM 1816 OD1 ASP A 116 -7.485 4.818 -13.787 1.00 2.35 O ATOM 1817 OD2 ASP A 116 -8.651 6.541 -14.493 1.00 1.83 O ATOM 0 H ASP A 116 -6.612 5.364 -11.584 1.00 0.39 H new ATOM 0 HA ASP A 116 -9.280 5.387 -10.271 1.00 0.43 H new ATOM 0 HB2 ASP A 116 -10.147 4.935 -12.605 1.00 0.46 H new ATOM 0 HB3 ASP A 116 -9.677 6.568 -12.177 1.00 0.46 H new ATOM 1822 N ILE A 117 -8.813 2.936 -9.792 1.00 0.42 N ATOM 1823 CA ILE A 117 -8.724 1.474 -9.463 1.00 0.42 C ATOM 1824 C ILE A 117 -9.725 0.552 -10.285 1.00 0.44 C ATOM 1825 O ILE A 117 -9.401 -0.607 -10.560 1.00 0.44 O ATOM 1826 CB ILE A 117 -8.877 1.252 -7.886 1.00 0.43 C ATOM 1827 CG1 ILE A 117 -8.236 2.434 -7.085 1.00 0.55 C ATOM 1828 CG2 ILE A 117 -8.218 -0.078 -7.396 1.00 0.49 C ATOM 1829 CD1 ILE A 117 -9.202 3.284 -6.265 1.00 0.68 C ATOM 0 H ILE A 117 -9.118 3.501 -9.000 1.00 0.42 H new ATOM 0 HA ILE A 117 -7.732 1.151 -9.779 1.00 0.42 H new ATOM 0 HB ILE A 117 -9.950 1.202 -7.700 1.00 0.43 H new ATOM 0 HG12 ILE A 117 -7.482 2.025 -6.413 1.00 0.55 H new ATOM 0 HG13 ILE A 117 -7.717 3.085 -7.788 1.00 0.55 H new ATOM 0 HG21 ILE A 117 -8.353 -0.176 -6.319 1.00 0.49 H new ATOM 0 HG22 ILE A 117 -8.688 -0.924 -7.899 1.00 0.49 H new ATOM 0 HG23 ILE A 117 -7.153 -0.064 -7.629 1.00 0.49 H new ATOM 0 HD11 ILE A 117 -8.649 4.071 -5.753 1.00 0.68 H new ATOM 0 HD12 ILE A 117 -9.943 3.732 -6.926 1.00 0.68 H new ATOM 0 HD13 ILE A 117 -9.705 2.656 -5.529 1.00 0.68 H new ATOM 1841 N PHE A 118 -10.900 1.102 -10.706 1.00 0.48 N ATOM 1842 CA PHE A 118 -11.907 0.360 -11.523 1.00 0.51 C ATOM 1843 C PHE A 118 -11.496 0.258 -13.033 1.00 0.53 C ATOM 1844 O PHE A 118 -11.735 -0.769 -13.670 1.00 0.56 O ATOM 1845 CB PHE A 118 -13.287 1.037 -11.390 1.00 0.56 C ATOM 1846 CG PHE A 118 -14.478 0.127 -11.709 1.00 0.62 C ATOM 1847 CD1 PHE A 118 -14.957 -0.776 -10.759 1.00 0.65 C ATOM 1848 CD2 PHE A 118 -15.116 0.177 -12.951 1.00 0.68 C ATOM 1849 CE1 PHE A 118 -16.036 -1.599 -11.041 1.00 0.72 C ATOM 1850 CE2 PHE A 118 -16.193 -0.647 -13.233 1.00 0.75 C ATOM 1851 CZ PHE A 118 -16.653 -1.535 -12.278 1.00 0.77 C ATOM 0 H PHE A 118 -11.174 2.061 -10.492 1.00 0.48 H new ATOM 0 HA PHE A 118 -11.956 -0.658 -11.137 1.00 0.51 H new ATOM 0 HB2 PHE A 118 -13.396 1.413 -10.373 1.00 0.56 H new ATOM 0 HB3 PHE A 118 -13.319 1.901 -12.054 1.00 0.56 H new ATOM 0 HD1 PHE A 118 -14.481 -0.834 -9.791 1.00 0.65 H new ATOM 0 HD2 PHE A 118 -14.764 0.868 -13.702 1.00 0.68 H new ATOM 0 HE1 PHE A 118 -16.396 -2.291 -10.294 1.00 0.72 H new ATOM 0 HE2 PHE A 118 -16.674 -0.596 -14.199 1.00 0.75 H new ATOM 0 HZ PHE A 118 -17.493 -2.178 -12.497 1.00 0.77 H new ATOM 1861 N ASP A 119 -10.871 1.347 -13.576 1.00 0.52 N ATOM 1862 CA ASP A 119 -10.353 1.418 -14.979 1.00 0.54 C ATOM 1863 C ASP A 119 -9.029 0.597 -15.211 1.00 0.53 C ATOM 1864 O ASP A 119 -8.772 0.152 -16.333 1.00 0.57 O ATOM 1865 CB ASP A 119 -10.117 2.899 -15.360 1.00 0.55 C ATOM 1866 CG ASP A 119 -10.498 3.257 -16.803 1.00 0.57 C ATOM 1867 OD1 ASP A 119 -10.556 2.342 -17.652 1.00 0.72 O ATOM 1868 OD2 ASP A 119 -10.723 4.455 -17.075 1.00 0.91 O ATOM 0 H ASP A 119 -10.712 2.205 -13.049 1.00 0.52 H new ATOM 0 HA ASP A 119 -11.111 0.963 -15.616 1.00 0.54 H new ATOM 0 HB2 ASP A 119 -10.689 3.531 -14.680 1.00 0.55 H new ATOM 0 HB3 ASP A 119 -9.064 3.136 -15.207 1.00 0.55 H new ATOM 1873 N ARG A 120 -8.206 0.408 -14.138 1.00 0.49 N ATOM 1874 CA ARG A 120 -6.927 -0.345 -14.220 1.00 0.48 C ATOM 1875 C ARG A 120 -7.097 -1.877 -14.019 1.00 0.50 C ATOM 1876 O ARG A 120 -6.596 -2.651 -14.839 1.00 0.54 O ATOM 1877 CB ARG A 120 -5.912 0.201 -13.193 1.00 0.46 C ATOM 1878 CG ARG A 120 -5.570 1.709 -13.328 1.00 0.45 C ATOM 1879 CD ARG A 120 -4.752 2.048 -14.589 1.00 0.52 C ATOM 1880 NE ARG A 120 -4.272 3.428 -14.561 1.00 1.23 N ATOM 1881 CZ ARG A 120 -3.494 3.958 -15.500 1.00 1.49 C ATOM 1882 NH1 ARG A 120 -3.112 3.230 -16.542 1.00 1.03 N ATOM 1883 NH2 ARG A 120 -3.098 5.219 -15.400 1.00 2.43 N ATOM 0 H ARG A 120 -8.411 0.770 -13.206 1.00 0.49 H new ATOM 0 HA ARG A 120 -6.555 -0.196 -15.233 1.00 0.48 H new ATOM 0 HB2 ARG A 120 -6.304 0.023 -12.191 1.00 0.46 H new ATOM 0 HB3 ARG A 120 -4.989 -0.372 -13.280 1.00 0.46 H new ATOM 0 HG2 ARG A 120 -6.497 2.283 -13.342 1.00 0.45 H new ATOM 0 HG3 ARG A 120 -5.012 2.026 -12.447 1.00 0.45 H new ATOM 0 HD2 ARG A 120 -3.904 1.368 -14.667 1.00 0.52 H new ATOM 0 HD3 ARG A 120 -5.367 1.894 -15.475 1.00 0.52 H new ATOM 0 HE ARG A 120 -4.550 4.018 -13.777 1.00 1.23 H new ATOM 0 HH11 ARG A 120 -3.415 2.260 -16.625 1.00 1.03 H new ATOM 0 HH12 ARG A 120 -2.515 3.641 -17.260 1.00 1.03 H new ATOM 0 HH21 ARG A 120 -3.390 5.784 -14.602 1.00 2.43 H new ATOM 0 HH22 ARG A 120 -2.501 5.625 -16.121 1.00 2.43 H new ATOM 1897 N VAL A 121 -7.797 -2.317 -12.935 1.00 0.48 N ATOM 1898 CA VAL A 121 -8.028 -3.766 -12.695 1.00 0.51 C ATOM 1899 C VAL A 121 -9.393 -4.307 -13.336 1.00 0.56 C ATOM 1900 O VAL A 121 -9.412 -5.425 -13.859 1.00 0.62 O ATOM 1901 CB VAL A 121 -7.766 -4.132 -11.137 1.00 0.53 C ATOM 1902 CG1 VAL A 121 -8.950 -3.908 -10.145 1.00 0.92 C ATOM 1903 CG2 VAL A 121 -7.213 -5.564 -10.968 1.00 0.93 C ATOM 0 H VAL A 121 -8.202 -1.702 -12.229 1.00 0.48 H new ATOM 0 HA VAL A 121 -7.284 -4.338 -13.250 1.00 0.51 H new ATOM 0 HB VAL A 121 -7.020 -3.391 -10.851 1.00 0.53 H new ATOM 0 HG11 VAL A 121 -8.641 -4.192 -9.139 1.00 0.92 H new ATOM 0 HG12 VAL A 121 -9.238 -2.857 -10.153 1.00 0.92 H new ATOM 0 HG13 VAL A 121 -9.800 -4.519 -10.449 1.00 0.92 H new ATOM 0 HG21 VAL A 121 -7.051 -5.769 -9.910 1.00 0.93 H new ATOM 0 HG22 VAL A 121 -7.929 -6.280 -11.371 1.00 0.93 H new ATOM 0 HG23 VAL A 121 -6.268 -5.655 -11.504 1.00 0.93 H new ATOM 1913 N GLY A 122 -10.493 -3.509 -13.286 1.00 0.57 N ATOM 1914 CA GLY A 122 -11.777 -3.935 -13.872 1.00 0.63 C ATOM 1915 C GLY A 122 -12.886 -4.194 -12.850 1.00 0.66 C ATOM 1916 O GLY A 122 -13.771 -3.358 -12.653 1.00 0.85 O ATOM 0 H GLY A 122 -10.510 -2.586 -12.853 1.00 0.57 H new ATOM 0 HA2 GLY A 122 -12.115 -3.169 -14.570 1.00 0.63 H new ATOM 0 HA3 GLY A 122 -11.614 -4.844 -14.451 1.00 0.63 H new ATOM 1920 N HIS A 123 -12.817 -5.375 -12.207 1.00 0.72 N ATOM 1921 CA HIS A 123 -13.796 -5.825 -11.185 1.00 0.87 C ATOM 1922 C HIS A 123 -13.250 -5.688 -9.738 1.00 0.73 C ATOM 1923 O HIS A 123 -12.088 -5.313 -9.533 1.00 1.34 O ATOM 1924 CB HIS A 123 -14.199 -7.288 -11.458 1.00 1.38 C ATOM 1925 CG HIS A 123 -15.202 -7.460 -12.564 1.00 1.76 C ATOM 1926 ND1 HIS A 123 -16.413 -8.099 -12.389 1.00 2.62 N ATOM 1927 CD2 HIS A 123 -15.170 -7.075 -13.864 1.00 2.27 C ATOM 1928 CE1 HIS A 123 -17.079 -8.100 -13.530 1.00 3.18 C ATOM 1929 NE2 HIS A 123 -16.347 -7.485 -14.439 1.00 3.01 N ATOM 0 H HIS A 123 -12.075 -6.054 -12.380 1.00 0.72 H new ATOM 0 HA HIS A 123 -14.668 -5.176 -11.263 1.00 0.87 H new ATOM 0 HB2 HIS A 123 -13.304 -7.859 -11.704 1.00 1.38 H new ATOM 0 HB3 HIS A 123 -14.608 -7.716 -10.543 1.00 1.38 H new ATOM 0 HD2 HIS A 123 -14.368 -6.545 -14.355 1.00 2.27 H new ATOM 0 HE1 HIS A 123 -18.056 -8.531 -13.691 1.00 3.18 H new ATOM 0 HE2 HIS A 123 -16.613 -7.338 -15.413 1.00 3.01 H new ATOM 1938 N SER A 124 -14.119 -5.973 -8.726 1.00 0.86 N ATOM 1939 CA SER A 124 -13.764 -5.884 -7.269 1.00 0.70 C ATOM 1940 C SER A 124 -12.847 -7.046 -6.774 1.00 0.99 C ATOM 1941 O SER A 124 -13.305 -8.033 -6.187 1.00 2.08 O ATOM 1942 CB SER A 124 -15.047 -5.837 -6.422 1.00 0.73 C ATOM 1943 OG SER A 124 -15.692 -4.576 -6.522 1.00 1.20 O ATOM 0 H SER A 124 -15.081 -6.270 -8.891 1.00 0.86 H new ATOM 0 HA SER A 124 -13.190 -4.965 -7.148 1.00 0.70 H new ATOM 0 HB2 SER A 124 -15.729 -6.622 -6.749 1.00 0.73 H new ATOM 0 HB3 SER A 124 -14.803 -6.040 -5.379 1.00 0.73 H new ATOM 0 HG SER A 124 -16.504 -4.580 -5.974 1.00 1.20 H new ATOM 1949 N THR A 125 -11.539 -6.880 -7.050 1.00 0.56 N ATOM 1950 CA THR A 125 -10.469 -7.855 -6.700 1.00 0.51 C ATOM 1951 C THR A 125 -9.269 -7.084 -6.040 1.00 0.48 C ATOM 1952 O THR A 125 -9.492 -6.204 -5.196 1.00 0.51 O ATOM 1953 CB THR A 125 -9.984 -8.698 -7.976 1.00 0.55 C ATOM 1954 OG1 THR A 125 -9.623 -7.831 -9.071 1.00 0.62 O ATOM 1955 CG2 THR A 125 -11.026 -9.725 -8.510 1.00 0.62 C ATOM 0 H THR A 125 -11.183 -6.054 -7.530 1.00 0.56 H new ATOM 0 HA THR A 125 -10.873 -8.576 -5.990 1.00 0.51 H new ATOM 0 HB THR A 125 -9.122 -9.256 -7.610 1.00 0.55 H new ATOM 0 HG1 THR A 125 -9.330 -8.372 -9.834 1.00 0.62 H new ATOM 0 HG21 THR A 125 -10.612 -10.248 -9.372 1.00 0.62 H new ATOM 0 HG22 THR A 125 -11.261 -10.446 -7.727 1.00 0.62 H new ATOM 0 HG23 THR A 125 -11.935 -9.201 -8.805 1.00 0.62 H new ATOM 1963 N ALA A 126 -7.998 -7.421 -6.405 1.00 0.46 N ATOM 1964 CA ALA A 126 -6.797 -6.740 -5.858 1.00 0.43 C ATOM 1965 C ALA A 126 -5.993 -5.949 -6.944 1.00 0.38 C ATOM 1966 O ALA A 126 -5.707 -6.469 -8.036 1.00 0.41 O ATOM 1967 CB ALA A 126 -5.869 -7.767 -5.164 1.00 0.46 C ATOM 0 H ALA A 126 -7.784 -8.160 -7.075 1.00 0.46 H new ATOM 0 HA ALA A 126 -7.157 -6.011 -5.132 1.00 0.43 H new ATOM 0 HB1 ALA A 126 -4.992 -7.255 -4.767 1.00 0.46 H new ATOM 0 HB2 ALA A 126 -6.407 -8.251 -4.349 1.00 0.46 H new ATOM 0 HB3 ALA A 126 -5.554 -8.519 -5.887 1.00 0.46 H new ATOM 1973 N HIS A 127 -5.644 -4.668 -6.637 1.00 0.34 N ATOM 1974 CA HIS A 127 -4.815 -3.817 -7.537 1.00 0.32 C ATOM 1975 C HIS A 127 -3.377 -3.699 -6.958 1.00 0.31 C ATOM 1976 O HIS A 127 -3.188 -3.692 -5.734 1.00 0.35 O ATOM 1977 CB HIS A 127 -5.441 -2.411 -7.727 1.00 0.32 C ATOM 1978 CG HIS A 127 -4.756 -1.532 -8.757 1.00 0.33 C ATOM 1979 ND1 HIS A 127 -4.297 -2.004 -9.972 1.00 0.35 N ATOM 1980 CD2 HIS A 127 -4.425 -0.215 -8.724 1.00 0.36 C ATOM 1981 CE1 HIS A 127 -3.712 -1.020 -10.631 1.00 0.38 C ATOM 1982 NE2 HIS A 127 -3.779 0.073 -9.898 1.00 0.38 N ATOM 0 H HIS A 127 -5.924 -4.203 -5.773 1.00 0.34 H new ATOM 0 HA HIS A 127 -4.775 -4.290 -8.518 1.00 0.32 H new ATOM 0 HB2 HIS A 127 -6.486 -2.532 -8.013 1.00 0.32 H new ATOM 0 HB3 HIS A 127 -5.431 -1.894 -6.768 1.00 0.32 H new ATOM 0 HD2 HIS A 127 -4.632 0.477 -7.921 1.00 0.36 H new ATOM 0 HE1 HIS A 127 -3.255 -1.098 -11.607 1.00 0.38 H new ATOM 0 HE2 HIS A 127 -3.410 0.986 -10.162 1.00 0.38 H new ATOM 1991 N ASP A 128 -2.372 -3.582 -7.837 1.00 0.32 N ATOM 1992 CA ASP A 128 -0.968 -3.526 -7.381 1.00 0.33 C ATOM 1993 C ASP A 128 -0.069 -2.564 -8.183 1.00 0.30 C ATOM 1994 O ASP A 128 -0.025 -2.597 -9.419 1.00 0.42 O ATOM 1995 CB ASP A 128 -0.313 -4.967 -7.310 1.00 0.45 C ATOM 1996 CG ASP A 128 -0.428 -5.859 -8.573 1.00 1.70 C ATOM 1997 OD1 ASP A 128 0.445 -5.749 -9.460 1.00 2.50 O ATOM 1998 OD2 ASP A 128 -1.388 -6.655 -8.654 1.00 2.10 O ATOM 0 H ASP A 128 -2.496 -3.525 -8.848 1.00 0.32 H new ATOM 0 HA ASP A 128 -1.027 -3.111 -6.375 1.00 0.33 H new ATOM 0 HB2 ASP A 128 0.745 -4.846 -7.076 1.00 0.45 H new ATOM 0 HB3 ASP A 128 -0.765 -5.503 -6.475 1.00 0.45 H new ATOM 2003 N GLU A 129 0.648 -1.710 -7.435 1.00 0.25 N ATOM 2004 CA GLU A 129 1.619 -0.775 -8.017 1.00 0.30 C ATOM 2005 C GLU A 129 3.018 -0.975 -7.383 1.00 0.27 C ATOM 2006 O GLU A 129 3.187 -0.912 -6.148 1.00 0.25 O ATOM 2007 CB GLU A 129 1.140 0.685 -7.870 1.00 0.43 C ATOM 2008 CG GLU A 129 0.212 1.178 -9.001 1.00 0.91 C ATOM 2009 CD GLU A 129 0.954 1.444 -10.303 1.00 0.76 C ATOM 2010 OE1 GLU A 129 1.574 2.522 -10.424 1.00 1.56 O ATOM 2011 OE2 GLU A 129 0.916 0.572 -11.197 1.00 1.12 O ATOM 0 H GLU A 129 0.571 -1.649 -6.420 1.00 0.25 H new ATOM 0 HA GLU A 129 1.700 -0.988 -9.083 1.00 0.30 H new ATOM 0 HB2 GLU A 129 0.617 0.787 -6.919 1.00 0.43 H new ATOM 0 HB3 GLU A 129 2.013 1.336 -7.825 1.00 0.43 H new ATOM 0 HG2 GLU A 129 -0.565 0.434 -9.177 1.00 0.91 H new ATOM 0 HG3 GLU A 129 -0.289 2.092 -8.681 1.00 0.91 H new ATOM 2018 N ILE A 130 4.005 -1.233 -8.272 1.00 0.28 N ATOM 2019 CA ILE A 130 5.425 -1.487 -7.904 1.00 0.28 C ATOM 2020 C ILE A 130 6.326 -0.286 -8.308 1.00 0.29 C ATOM 2021 O ILE A 130 6.409 0.074 -9.489 1.00 0.39 O ATOM 2022 CB ILE A 130 6.004 -2.806 -8.586 1.00 0.31 C ATOM 2023 CG1 ILE A 130 4.889 -3.708 -9.204 1.00 0.37 C ATOM 2024 CG2 ILE A 130 6.861 -3.656 -7.598 1.00 0.37 C ATOM 2025 CD1 ILE A 130 4.691 -3.557 -10.713 1.00 0.45 C ATOM 0 H ILE A 130 3.840 -1.272 -9.278 1.00 0.28 H new ATOM 0 HA ILE A 130 5.438 -1.621 -6.822 1.00 0.28 H new ATOM 0 HB ILE A 130 6.644 -2.449 -9.393 1.00 0.31 H new ATOM 0 HG12 ILE A 130 5.125 -4.750 -8.987 1.00 0.37 H new ATOM 0 HG13 ILE A 130 3.946 -3.485 -8.706 1.00 0.37 H new ATOM 0 HG21 ILE A 130 7.233 -4.544 -8.110 1.00 0.37 H new ATOM 0 HG22 ILE A 130 7.703 -3.062 -7.243 1.00 0.37 H new ATOM 0 HG23 ILE A 130 6.247 -3.957 -6.750 1.00 0.37 H new ATOM 0 HD11 ILE A 130 3.896 -4.225 -11.044 1.00 0.45 H new ATOM 0 HD12 ILE A 130 4.419 -2.527 -10.943 1.00 0.45 H new ATOM 0 HD13 ILE A 130 5.617 -3.812 -11.229 1.00 0.45 H new ATOM 2037 N ILE A 131 7.004 0.311 -7.307 1.00 0.21 N ATOM 2038 CA ILE A 131 7.890 1.468 -7.546 1.00 0.26 C ATOM 2039 C ILE A 131 9.282 1.297 -6.842 1.00 0.18 C ATOM 2040 O ILE A 131 9.370 1.509 -5.623 1.00 0.18 O ATOM 2041 CB ILE A 131 7.242 2.834 -7.069 1.00 0.34 C ATOM 2042 CG1 ILE A 131 5.701 2.705 -6.809 1.00 0.30 C ATOM 2043 CG2 ILE A 131 7.506 3.964 -8.123 1.00 0.62 C ATOM 2044 CD1 ILE A 131 5.201 3.299 -5.494 1.00 0.84 C ATOM 0 H ILE A 131 6.956 0.014 -6.332 1.00 0.21 H new ATOM 0 HA ILE A 131 8.034 1.505 -8.626 1.00 0.26 H new ATOM 0 HB ILE A 131 7.717 3.095 -6.123 1.00 0.34 H new ATOM 0 HG12 ILE A 131 5.171 3.188 -7.630 1.00 0.30 H new ATOM 0 HG13 ILE A 131 5.434 1.649 -6.834 1.00 0.30 H new ATOM 0 HG21 ILE A 131 7.054 4.895 -7.780 1.00 0.62 H new ATOM 0 HG22 ILE A 131 8.580 4.105 -8.244 1.00 0.62 H new ATOM 0 HG23 ILE A 131 7.067 3.679 -9.079 1.00 0.62 H new ATOM 0 HD11 ILE A 131 4.123 3.155 -5.416 1.00 0.84 H new ATOM 0 HD12 ILE A 131 5.695 2.802 -4.659 1.00 0.84 H new ATOM 0 HD13 ILE A 131 5.428 4.365 -5.467 1.00 0.84 H new ATOM 2056 N PRO A 132 10.395 0.877 -7.577 1.00 0.13 N ATOM 2057 CA PRO A 132 11.779 0.774 -6.988 1.00 0.09 C ATOM 2058 C PRO A 132 12.484 2.139 -6.779 1.00 0.08 C ATOM 2059 O PRO A 132 12.350 3.055 -7.594 1.00 0.16 O ATOM 2060 CB PRO A 132 12.573 -0.045 -8.029 1.00 0.13 C ATOM 2061 CG PRO A 132 11.522 -0.689 -8.884 1.00 0.16 C ATOM 2062 CD PRO A 132 10.403 0.332 -8.961 1.00 0.16 C ATOM 0 HA PRO A 132 11.725 0.327 -5.995 1.00 0.09 H new ATOM 0 HB2 PRO A 132 13.228 0.594 -8.620 1.00 0.13 H new ATOM 0 HB3 PRO A 132 13.205 -0.791 -7.548 1.00 0.13 H new ATOM 0 HG2 PRO A 132 11.909 -0.926 -9.875 1.00 0.16 H new ATOM 0 HG3 PRO A 132 11.174 -1.624 -8.445 1.00 0.16 H new ATOM 0 HD2 PRO A 132 10.604 1.104 -9.704 1.00 0.16 H new ATOM 0 HD3 PRO A 132 9.450 -0.125 -9.226 1.00 0.16 H new ATOM 2070 N ILE A 133 13.231 2.230 -5.669 1.00 0.07 N ATOM 2071 CA ILE A 133 13.963 3.448 -5.266 1.00 0.08 C ATOM 2072 C ILE A 133 15.478 3.114 -5.047 1.00 0.08 C ATOM 2073 O ILE A 133 15.839 1.998 -4.664 1.00 0.10 O ATOM 2074 CB ILE A 133 13.324 4.085 -3.941 1.00 0.15 C ATOM 2075 CG1 ILE A 133 11.760 3.913 -3.910 1.00 0.23 C ATOM 2076 CG2 ILE A 133 13.685 5.600 -3.781 1.00 0.30 C ATOM 2077 CD1 ILE A 133 11.138 3.600 -2.537 1.00 0.38 C ATOM 0 H ILE A 133 13.348 1.454 -5.017 1.00 0.07 H new ATOM 0 HA ILE A 133 13.879 4.185 -6.064 1.00 0.08 H new ATOM 0 HB ILE A 133 13.757 3.537 -3.104 1.00 0.15 H new ATOM 0 HG12 ILE A 133 11.307 4.828 -4.291 1.00 0.23 H new ATOM 0 HG13 ILE A 133 11.490 3.113 -4.599 1.00 0.23 H new ATOM 0 HG21 ILE A 133 13.230 5.988 -2.870 1.00 0.30 H new ATOM 0 HG22 ILE A 133 14.768 5.712 -3.722 1.00 0.30 H new ATOM 0 HG23 ILE A 133 13.309 6.156 -4.640 1.00 0.30 H new ATOM 0 HD11 ILE A 133 10.057 3.504 -2.641 1.00 0.38 H new ATOM 0 HD12 ILE A 133 11.551 2.666 -2.155 1.00 0.38 H new ATOM 0 HD13 ILE A 133 11.365 4.408 -1.842 1.00 0.38 H new ATOM 2089 N SER A 134 16.347 4.107 -5.304 1.00 0.10 N ATOM 2090 CA SER A 134 17.792 3.946 -5.119 1.00 0.12 C ATOM 2091 C SER A 134 18.411 5.178 -4.420 1.00 0.13 C ATOM 2092 O SER A 134 18.385 6.299 -4.943 1.00 0.15 O ATOM 2093 CB SER A 134 18.475 3.658 -6.478 1.00 0.15 C ATOM 2094 OG SER A 134 19.829 3.231 -6.330 1.00 1.31 O ATOM 0 H SER A 134 16.069 5.029 -5.641 1.00 0.10 H new ATOM 0 HA SER A 134 17.963 3.091 -4.465 1.00 0.12 H new ATOM 0 HB2 SER A 134 17.911 2.891 -7.009 1.00 0.15 H new ATOM 0 HB3 SER A 134 18.446 4.557 -7.093 1.00 0.15 H new ATOM 0 HG SER A 134 19.894 2.273 -6.528 1.00 1.31 H new ATOM 2100 N ILE A 135 18.964 4.925 -3.220 1.00 0.13 N ATOM 2101 CA ILE A 135 19.644 5.947 -2.396 1.00 0.15 C ATOM 2102 C ILE A 135 21.162 5.575 -2.306 1.00 0.18 C ATOM 2103 O ILE A 135 21.518 4.455 -1.918 1.00 0.18 O ATOM 2104 CB ILE A 135 18.952 6.082 -0.951 1.00 0.16 C ATOM 2105 CG1 ILE A 135 17.419 6.302 -1.079 1.00 0.13 C ATOM 2106 CG2 ILE A 135 19.557 7.222 -0.053 1.00 0.25 C ATOM 2107 CD1 ILE A 135 16.558 5.374 -0.212 1.00 0.15 C ATOM 0 H ILE A 135 18.953 4.000 -2.790 1.00 0.13 H new ATOM 0 HA ILE A 135 19.552 6.929 -2.860 1.00 0.15 H new ATOM 0 HB ILE A 135 19.159 5.134 -0.455 1.00 0.16 H new ATOM 0 HG12 ILE A 135 17.192 7.335 -0.816 1.00 0.13 H new ATOM 0 HG13 ILE A 135 17.133 6.169 -2.122 1.00 0.13 H new ATOM 0 HG21 ILE A 135 19.035 7.247 0.904 1.00 0.25 H new ATOM 0 HG22 ILE A 135 20.616 7.029 0.116 1.00 0.25 H new ATOM 0 HG23 ILE A 135 19.439 8.182 -0.555 1.00 0.25 H new ATOM 0 HD11 ILE A 135 15.504 5.603 -0.369 1.00 0.15 H new ATOM 0 HD12 ILE A 135 16.749 4.337 -0.488 1.00 0.15 H new ATOM 0 HD13 ILE A 135 16.808 5.522 0.839 1.00 0.15 H new ATOM 2119 N LYS A 136 22.024 6.544 -2.685 1.00 0.20 N ATOM 2120 CA LYS A 136 23.490 6.369 -2.670 1.00 0.23 C ATOM 2121 C LYS A 136 24.179 7.637 -2.148 1.00 0.28 C ATOM 2122 O LYS A 136 23.935 8.747 -2.647 1.00 0.29 O ATOM 2123 CB LYS A 136 24.008 6.025 -4.082 1.00 0.22 C ATOM 2124 CG LYS A 136 23.562 4.634 -4.599 1.00 0.25 C ATOM 2125 CD LYS A 136 24.486 3.484 -4.130 1.00 0.94 C ATOM 2126 CE LYS A 136 24.003 2.113 -4.636 1.00 1.23 C ATOM 2127 NZ LYS A 136 23.981 2.050 -6.123 1.00 2.05 N ATOM 0 H LYS A 136 21.724 7.464 -3.008 1.00 0.20 H new ATOM 0 HA LYS A 136 23.728 5.543 -2.000 1.00 0.23 H new ATOM 0 HB2 LYS A 136 23.662 6.788 -4.780 1.00 0.22 H new ATOM 0 HB3 LYS A 136 25.097 6.067 -4.078 1.00 0.22 H new ATOM 0 HG2 LYS A 136 22.545 4.436 -4.259 1.00 0.25 H new ATOM 0 HG3 LYS A 136 23.537 4.650 -5.689 1.00 0.25 H new ATOM 0 HD2 LYS A 136 25.500 3.665 -4.487 1.00 0.94 H new ATOM 0 HD3 LYS A 136 24.528 3.474 -3.041 1.00 0.94 H new ATOM 0 HE2 LYS A 136 24.657 1.331 -4.249 1.00 1.23 H new ATOM 0 HE3 LYS A 136 23.004 1.914 -4.249 1.00 1.23 H new ATOM 0 HZ1 LYS A 136 23.799 1.072 -6.426 1.00 2.05 H new ATOM 0 HZ2 LYS A 136 23.229 2.671 -6.486 1.00 2.05 H new ATOM 0 HZ3 LYS A 136 24.899 2.363 -6.497 1.00 2.05 H new ATOM 2141 N LYS A 137 25.012 7.461 -1.078 1.00 0.33 N ATOM 2142 CA LYS A 137 25.781 8.563 -0.374 1.00 0.40 C ATOM 2143 C LYS A 137 24.875 9.581 0.404 1.00 0.39 C ATOM 2144 O LYS A 137 25.324 10.676 0.764 1.00 0.42 O ATOM 2145 CB LYS A 137 26.700 9.339 -1.358 1.00 0.44 C ATOM 2146 CG LYS A 137 28.068 8.671 -1.693 1.00 0.99 C ATOM 2147 CD LYS A 137 27.954 7.383 -2.564 1.00 1.59 C ATOM 2148 CE LYS A 137 27.974 6.083 -1.734 1.00 2.70 C ATOM 2149 NZ LYS A 137 29.259 5.913 -0.997 1.00 3.55 N ATOM 0 H LYS A 137 25.178 6.542 -0.667 1.00 0.33 H new ATOM 0 HA LYS A 137 26.388 8.043 0.367 1.00 0.40 H new ATOM 0 HB2 LYS A 137 26.155 9.489 -2.290 1.00 0.44 H new ATOM 0 HB3 LYS A 137 26.894 10.326 -0.939 1.00 0.44 H new ATOM 0 HG2 LYS A 137 28.695 9.394 -2.214 1.00 0.99 H new ATOM 0 HG3 LYS A 137 28.576 8.422 -0.761 1.00 0.99 H new ATOM 0 HD2 LYS A 137 27.030 7.423 -3.141 1.00 1.59 H new ATOM 0 HD3 LYS A 137 28.776 7.362 -3.279 1.00 1.59 H new ATOM 0 HE2 LYS A 137 27.147 6.093 -1.024 1.00 2.70 H new ATOM 0 HE3 LYS A 137 27.818 5.229 -2.393 1.00 2.70 H new ATOM 0 HZ1 LYS A 137 29.405 4.906 -0.781 1.00 3.55 H new ATOM 0 HZ2 LYS A 137 30.045 6.258 -1.585 1.00 3.55 H new ATOM 0 HZ3 LYS A 137 29.225 6.456 -0.111 1.00 3.55 H new ATOM 2163 N GLY A 138 23.605 9.184 0.664 1.00 0.35 N ATOM 2164 CA GLY A 138 22.620 10.035 1.345 1.00 0.36 C ATOM 2165 C GLY A 138 21.648 10.787 0.406 1.00 0.33 C ATOM 2166 O GLY A 138 20.961 11.705 0.861 1.00 0.37 O ATOM 0 H GLY A 138 23.244 8.266 0.405 1.00 0.35 H new ATOM 0 HA2 GLY A 138 22.037 9.416 2.027 1.00 0.36 H new ATOM 0 HA3 GLY A 138 23.152 10.766 1.954 1.00 0.36 H new ATOM 2170 N LYS A 139 21.589 10.409 -0.904 1.00 0.29 N ATOM 2171 CA LYS A 139 20.680 11.076 -1.860 1.00 0.29 C ATOM 2172 C LYS A 139 19.695 10.095 -2.526 1.00 0.26 C ATOM 2173 O LYS A 139 20.042 8.953 -2.833 1.00 0.25 O ATOM 2174 CB LYS A 139 21.462 11.836 -2.935 1.00 0.33 C ATOM 2175 CG LYS A 139 22.414 12.926 -2.391 1.00 0.65 C ATOM 2176 CD LYS A 139 23.359 13.513 -3.473 1.00 0.67 C ATOM 2177 CE LYS A 139 22.618 14.219 -4.623 1.00 1.00 C ATOM 2178 NZ LYS A 139 23.548 15.040 -5.448 1.00 1.56 N ATOM 0 H LYS A 139 22.152 9.660 -1.308 1.00 0.29 H new ATOM 0 HA LYS A 139 20.096 11.786 -1.275 1.00 0.29 H new ATOM 0 HB2 LYS A 139 22.045 11.121 -3.515 1.00 0.33 H new ATOM 0 HB3 LYS A 139 20.753 12.301 -3.620 1.00 0.33 H new ATOM 0 HG2 LYS A 139 21.822 13.733 -1.959 1.00 0.65 H new ATOM 0 HG3 LYS A 139 23.014 12.505 -1.585 1.00 0.65 H new ATOM 0 HD2 LYS A 139 24.040 14.222 -3.002 1.00 0.67 H new ATOM 0 HD3 LYS A 139 23.969 12.709 -3.885 1.00 0.67 H new ATOM 0 HE2 LYS A 139 22.130 13.476 -5.254 1.00 1.00 H new ATOM 0 HE3 LYS A 139 21.833 14.856 -4.215 1.00 1.00 H new ATOM 0 HZ1 LYS A 139 23.017 15.502 -6.214 1.00 1.56 H new ATOM 0 HZ2 LYS A 139 23.995 15.764 -4.850 1.00 1.56 H new ATOM 0 HZ3 LYS A 139 24.282 14.427 -5.857 1.00 1.56 H new ATOM 2192 N LEU A 140 18.484 10.595 -2.831 1.00 0.25 N ATOM 2193 CA LEU A 140 17.386 9.778 -3.386 1.00 0.24 C ATOM 2194 C LEU A 140 17.174 9.940 -4.913 1.00 0.26 C ATOM 2195 O LEU A 140 17.343 11.020 -5.483 1.00 0.34 O ATOM 2196 CB LEU A 140 16.096 10.168 -2.631 1.00 0.24 C ATOM 2197 CG LEU A 140 14.991 9.086 -2.439 1.00 0.22 C ATOM 2198 CD1 LEU A 140 14.466 9.067 -1.006 1.00 0.22 C ATOM 2199 CD2 LEU A 140 13.823 9.314 -3.385 1.00 0.25 C ATOM 0 H LEU A 140 18.238 11.576 -2.700 1.00 0.25 H new ATOM 0 HA LEU A 140 17.649 8.729 -3.247 1.00 0.24 H new ATOM 0 HB2 LEU A 140 16.385 10.525 -1.643 1.00 0.24 H new ATOM 0 HB3 LEU A 140 15.647 11.011 -3.156 1.00 0.24 H new ATOM 0 HG LEU A 140 15.456 8.126 -2.662 1.00 0.22 H new ATOM 0 HD11 LEU A 140 13.697 8.300 -0.910 1.00 0.22 H new ATOM 0 HD12 LEU A 140 15.285 8.847 -0.321 1.00 0.22 H new ATOM 0 HD13 LEU A 140 14.040 10.040 -0.762 1.00 0.22 H new ATOM 0 HD21 LEU A 140 13.070 8.542 -3.226 1.00 0.25 H new ATOM 0 HD22 LEU A 140 13.385 10.294 -3.193 1.00 0.25 H new ATOM 0 HD23 LEU A 140 14.175 9.270 -4.416 1.00 0.25 H new ATOM 2211 N SER A 141 16.786 8.822 -5.547 1.00 0.21 N ATOM 2212 CA SER A 141 16.499 8.767 -6.988 1.00 0.22 C ATOM 2213 C SER A 141 15.229 7.923 -7.242 1.00 0.19 C ATOM 2214 O SER A 141 15.218 6.709 -6.992 1.00 0.16 O ATOM 2215 CB SER A 141 17.695 8.161 -7.743 1.00 0.25 C ATOM 2216 OG SER A 141 17.850 8.741 -9.032 1.00 0.64 O ATOM 0 H SER A 141 16.662 7.928 -5.072 1.00 0.21 H new ATOM 0 HA SER A 141 16.330 9.780 -7.353 1.00 0.22 H new ATOM 0 HB2 SER A 141 18.606 8.312 -7.164 1.00 0.25 H new ATOM 0 HB3 SER A 141 17.555 7.085 -7.842 1.00 0.25 H new ATOM 0 HG SER A 141 18.619 8.335 -9.483 1.00 0.64 H new ATOM 2222 N VAL A 142 14.163 8.578 -7.740 1.00 0.21 N ATOM 2223 CA VAL A 142 12.880 7.899 -8.019 1.00 0.22 C ATOM 2224 C VAL A 142 12.495 7.999 -9.557 1.00 0.25 C ATOM 2225 O VAL A 142 11.944 9.004 -10.016 1.00 0.26 O ATOM 2226 CB VAL A 142 11.731 8.358 -6.948 1.00 0.27 C ATOM 2227 CG1 VAL A 142 11.173 9.810 -7.087 1.00 0.46 C ATOM 2228 CG2 VAL A 142 10.555 7.356 -6.884 1.00 0.41 C ATOM 0 H VAL A 142 14.163 9.575 -7.958 1.00 0.21 H new ATOM 0 HA VAL A 142 12.982 6.827 -7.852 1.00 0.22 H new ATOM 0 HB VAL A 142 12.286 8.356 -6.010 1.00 0.27 H new ATOM 0 HG11 VAL A 142 10.420 9.986 -6.318 1.00 0.46 H new ATOM 0 HG12 VAL A 142 11.987 10.525 -6.968 1.00 0.46 H new ATOM 0 HG13 VAL A 142 10.722 9.934 -8.072 1.00 0.46 H new ATOM 0 HG21 VAL A 142 9.819 7.705 -6.160 1.00 0.41 H new ATOM 0 HG22 VAL A 142 10.089 7.279 -7.866 1.00 0.41 H new ATOM 0 HG23 VAL A 142 10.927 6.377 -6.581 1.00 0.41 H new ATOM 2238 N GLN A 143 12.850 6.921 -10.328 1.00 0.31 N ATOM 2239 CA GLN A 143 12.580 6.769 -11.810 1.00 0.39 C ATOM 2240 C GLN A 143 13.387 7.761 -12.700 1.00 0.41 C ATOM 2241 O GLN A 143 14.465 7.424 -13.198 1.00 0.46 O ATOM 2242 CB GLN A 143 11.058 6.851 -12.125 1.00 0.44 C ATOM 2243 CG GLN A 143 10.207 5.750 -11.483 1.00 0.65 C ATOM 2244 CD GLN A 143 10.392 4.391 -12.141 1.00 0.87 C ATOM 2245 OE1 GLN A 143 9.681 4.044 -13.085 1.00 1.56 O ATOM 2246 NE2 GLN A 143 11.348 3.617 -11.642 1.00 1.12 N ATOM 0 H GLN A 143 13.340 6.117 -9.936 1.00 0.31 H new ATOM 0 HA GLN A 143 12.936 5.772 -12.069 1.00 0.39 H new ATOM 0 HB2 GLN A 143 10.684 7.819 -11.792 1.00 0.44 H new ATOM 0 HB3 GLN A 143 10.923 6.811 -13.206 1.00 0.44 H new ATOM 0 HG2 GLN A 143 10.461 5.673 -10.426 1.00 0.65 H new ATOM 0 HG3 GLN A 143 9.156 6.033 -11.538 1.00 0.65 H new ATOM 0 HE21 GLN A 143 11.913 3.945 -10.859 1.00 1.12 H new ATOM 0 HE22 GLN A 143 11.517 2.694 -12.042 1.00 1.12 H new ATOM 2255 N GLY A 144 12.836 8.977 -12.878 1.00 0.40 N ATOM 2256 CA GLY A 144 13.494 10.038 -13.645 1.00 0.45 C ATOM 2257 C GLY A 144 13.650 11.350 -12.848 1.00 0.42 C ATOM 2258 O GLY A 144 13.735 12.430 -13.438 1.00 0.49 O ATOM 0 H GLY A 144 11.929 9.245 -12.495 1.00 0.40 H new ATOM 0 HA2 GLY A 144 14.478 9.693 -13.962 1.00 0.45 H new ATOM 0 HA3 GLY A 144 12.919 10.235 -14.550 1.00 0.45 H new ATOM 2262 N GLU A 145 13.685 11.237 -11.496 1.00 0.33 N ATOM 2263 CA GLU A 145 13.835 12.378 -10.583 1.00 0.32 C ATOM 2264 C GLU A 145 15.023 12.179 -9.628 1.00 0.27 C ATOM 2265 O GLU A 145 15.268 11.075 -9.128 1.00 0.36 O ATOM 2266 CB GLU A 145 12.545 12.565 -9.763 1.00 0.37 C ATOM 2267 CG GLU A 145 11.427 13.307 -10.500 1.00 0.80 C ATOM 2268 CD GLU A 145 10.118 13.299 -9.733 1.00 1.16 C ATOM 2269 OE1 GLU A 145 9.353 12.321 -9.872 1.00 1.53 O ATOM 2270 OE2 GLU A 145 9.858 14.270 -8.991 1.00 1.82 O ATOM 0 H GLU A 145 13.609 10.341 -11.014 1.00 0.33 H new ATOM 0 HA GLU A 145 14.024 13.266 -11.186 1.00 0.32 H new ATOM 0 HB2 GLU A 145 12.176 11.585 -9.461 1.00 0.37 H new ATOM 0 HB3 GLU A 145 12.785 13.110 -8.850 1.00 0.37 H new ATOM 0 HG2 GLU A 145 11.735 14.338 -10.676 1.00 0.80 H new ATOM 0 HG3 GLU A 145 11.274 12.849 -11.477 1.00 0.80 H new ATOM 2277 N VAL A 146 15.745 13.271 -9.368 1.00 0.30 N ATOM 2278 CA VAL A 146 16.919 13.237 -8.475 1.00 0.27 C ATOM 2279 C VAL A 146 16.844 14.394 -7.401 1.00 0.28 C ATOM 2280 O VAL A 146 16.704 15.577 -7.734 1.00 0.32 O ATOM 2281 CB VAL A 146 18.300 13.138 -9.336 1.00 0.31 C ATOM 2282 CG1 VAL A 146 18.765 14.440 -10.067 1.00 1.02 C ATOM 2283 CG2 VAL A 146 19.480 12.556 -8.512 1.00 0.72 C ATOM 0 H VAL A 146 15.543 14.191 -9.759 1.00 0.30 H new ATOM 0 HA VAL A 146 16.914 12.325 -7.879 1.00 0.27 H new ATOM 0 HB VAL A 146 18.018 12.444 -10.128 1.00 0.31 H new ATOM 0 HG11 VAL A 146 19.694 14.244 -10.603 1.00 1.02 H new ATOM 0 HG12 VAL A 146 17.997 14.754 -10.774 1.00 1.02 H new ATOM 0 HG13 VAL A 146 18.929 15.230 -9.334 1.00 1.02 H new ATOM 0 HG21 VAL A 146 20.373 12.513 -9.136 1.00 0.72 H new ATOM 0 HG22 VAL A 146 19.670 13.194 -7.649 1.00 0.72 H new ATOM 0 HG23 VAL A 146 19.226 11.552 -8.172 1.00 0.72 H new ATOM 2293 N SER A 147 16.931 13.995 -6.123 1.00 0.27 N ATOM 2294 CA SER A 147 16.887 14.921 -4.979 1.00 0.29 C ATOM 2295 C SER A 147 17.700 14.342 -3.806 1.00 0.29 C ATOM 2296 O SER A 147 18.307 13.273 -3.922 1.00 0.30 O ATOM 2297 CB SER A 147 15.431 15.169 -4.537 1.00 0.31 C ATOM 2298 OG SER A 147 14.841 16.234 -5.268 1.00 0.56 O ATOM 0 H SER A 147 17.034 13.017 -5.852 1.00 0.27 H new ATOM 0 HA SER A 147 17.323 15.872 -5.285 1.00 0.29 H new ATOM 0 HB2 SER A 147 14.846 14.260 -4.680 1.00 0.31 H new ATOM 0 HB3 SER A 147 15.407 15.400 -3.472 1.00 0.31 H new ATOM 0 HG SER A 147 15.251 16.288 -6.156 1.00 0.56 H new ATOM 2304 N THR A 148 17.763 15.068 -2.683 1.00 0.30 N ATOM 2305 CA THR A 148 18.502 14.575 -1.503 1.00 0.31 C ATOM 2306 C THR A 148 17.560 14.032 -0.363 1.00 0.27 C ATOM 2307 O THR A 148 16.527 14.632 -0.044 1.00 0.32 O ATOM 2308 CB THR A 148 19.638 15.600 -1.007 1.00 0.44 C ATOM 2309 OG1 THR A 148 20.453 15.011 0.023 1.00 1.25 O ATOM 2310 CG2 THR A 148 19.140 16.980 -0.508 1.00 0.99 C ATOM 0 H THR A 148 17.323 15.980 -2.562 1.00 0.30 H new ATOM 0 HA THR A 148 19.053 13.694 -1.831 1.00 0.31 H new ATOM 0 HB THR A 148 20.212 15.794 -1.913 1.00 0.44 H new ATOM 0 HG1 THR A 148 21.137 15.653 0.306 1.00 1.25 H new ATOM 0 HG21 THR A 148 19.993 17.585 -0.200 1.00 0.99 H new ATOM 0 HG22 THR A 148 18.607 17.487 -1.312 1.00 0.99 H new ATOM 0 HG23 THR A 148 18.469 16.840 0.340 1.00 0.99 H new ATOM 2318 N PHE A 149 17.966 12.880 0.233 1.00 0.26 N ATOM 2319 CA PHE A 149 17.232 12.210 1.350 1.00 0.24 C ATOM 2320 C PHE A 149 17.561 12.856 2.719 1.00 0.24 C ATOM 2321 O PHE A 149 18.730 12.914 3.124 1.00 0.29 O ATOM 2322 CB PHE A 149 17.592 10.689 1.396 1.00 0.23 C ATOM 2323 CG PHE A 149 16.978 9.917 2.581 1.00 0.22 C ATOM 2324 CD1 PHE A 149 15.601 9.687 2.653 1.00 0.22 C ATOM 2325 CD2 PHE A 149 17.769 9.472 3.648 1.00 0.24 C ATOM 2326 CE1 PHE A 149 15.040 9.049 3.740 1.00 0.24 C ATOM 2327 CE2 PHE A 149 17.205 8.822 4.727 1.00 0.26 C ATOM 2328 CZ PHE A 149 15.842 8.616 4.775 1.00 0.25 C ATOM 0 H PHE A 149 18.813 12.385 -0.045 1.00 0.26 H new ATOM 0 HA PHE A 149 16.166 12.333 1.160 1.00 0.24 H new ATOM 0 HB2 PHE A 149 17.263 10.223 0.467 1.00 0.23 H new ATOM 0 HB3 PHE A 149 18.676 10.587 1.437 1.00 0.23 H new ATOM 0 HD1 PHE A 149 14.965 10.014 1.844 1.00 0.22 H new ATOM 0 HD2 PHE A 149 18.836 9.640 3.626 1.00 0.24 H new ATOM 0 HE1 PHE A 149 13.973 8.889 3.780 1.00 0.24 H new ATOM 0 HE2 PHE A 149 17.832 8.474 5.535 1.00 0.26 H new ATOM 0 HZ PHE A 149 15.402 8.115 5.625 1.00 0.25 H new ATOM 2338 N THR A 150 16.517 13.326 3.424 1.00 0.25 N ATOM 2339 CA THR A 150 16.725 13.954 4.749 1.00 0.30 C ATOM 2340 C THR A 150 15.811 13.358 5.841 1.00 0.40 C ATOM 2341 O THR A 150 14.684 13.818 6.051 1.00 1.15 O ATOM 2342 CB THR A 150 16.549 15.527 4.739 1.00 0.66 C ATOM 2343 OG1 THR A 150 15.585 15.953 3.754 1.00 1.42 O ATOM 2344 CG2 THR A 150 17.881 16.270 4.493 1.00 1.18 C ATOM 0 H THR A 150 15.546 13.288 3.114 1.00 0.25 H new ATOM 0 HA THR A 150 17.764 13.728 4.987 1.00 0.30 H new ATOM 0 HB THR A 150 16.186 15.786 5.734 1.00 0.66 H new ATOM 0 HG1 THR A 150 15.502 16.929 3.778 1.00 1.42 H new ATOM 0 HG21 THR A 150 17.704 17.345 4.496 1.00 1.18 H new ATOM 0 HG22 THR A 150 18.590 16.017 5.282 1.00 1.18 H new ATOM 0 HG23 THR A 150 18.291 15.972 3.528 1.00 1.18 H new ATOM 2352 N GLY A 151 16.340 12.316 6.532 1.00 0.32 N ATOM 2353 CA GLY A 151 15.654 11.650 7.665 1.00 0.18 C ATOM 2354 C GLY A 151 14.535 10.636 7.362 1.00 0.20 C ATOM 2355 O GLY A 151 14.690 9.451 7.666 1.00 0.42 O ATOM 0 H GLY A 151 17.253 11.916 6.318 1.00 0.32 H new ATOM 0 HA2 GLY A 151 16.413 11.137 8.255 1.00 0.18 H new ATOM 0 HA3 GLY A 151 15.231 12.429 8.299 1.00 0.18 H new ATOM 2359 N LYS A 152 13.414 11.100 6.778 1.00 0.16 N ATOM 2360 CA LYS A 152 12.255 10.228 6.519 1.00 0.13 C ATOM 2361 C LYS A 152 11.677 10.351 5.087 1.00 0.13 C ATOM 2362 O LYS A 152 11.862 11.346 4.383 1.00 0.16 O ATOM 2363 CB LYS A 152 11.177 10.526 7.639 1.00 0.22 C ATOM 2364 CG LYS A 152 9.668 10.323 7.281 1.00 0.41 C ATOM 2365 CD LYS A 152 8.868 11.652 7.138 1.00 0.56 C ATOM 2366 CE LYS A 152 9.338 12.539 5.975 1.00 0.69 C ATOM 2367 NZ LYS A 152 8.474 13.742 5.815 1.00 1.10 N ATOM 0 H LYS A 152 13.288 12.067 6.479 1.00 0.16 H new ATOM 0 HA LYS A 152 12.579 9.188 6.569 1.00 0.13 H new ATOM 0 HB2 LYS A 152 11.404 9.894 8.497 1.00 0.22 H new ATOM 0 HB3 LYS A 152 11.307 11.559 7.961 1.00 0.22 H new ATOM 0 HG2 LYS A 152 9.598 9.766 6.346 1.00 0.41 H new ATOM 0 HG3 LYS A 152 9.201 9.711 8.052 1.00 0.41 H new ATOM 0 HD2 LYS A 152 7.813 11.416 6.999 1.00 0.56 H new ATOM 0 HD3 LYS A 152 8.949 12.215 8.068 1.00 0.56 H new ATOM 0 HE2 LYS A 152 10.368 12.851 6.149 1.00 0.69 H new ATOM 0 HE3 LYS A 152 9.332 11.961 5.051 1.00 0.69 H new ATOM 0 HZ1 LYS A 152 8.822 14.316 5.021 1.00 1.10 H new ATOM 0 HZ2 LYS A 152 7.496 13.444 5.624 1.00 1.10 H new ATOM 0 HZ3 LYS A 152 8.500 14.307 6.688 1.00 1.10 H new ATOM 2381 N LEU A 153 10.957 9.274 4.709 1.00 0.12 N ATOM 2382 CA LEU A 153 10.231 9.139 3.416 1.00 0.13 C ATOM 2383 C LEU A 153 8.710 9.230 3.678 1.00 0.13 C ATOM 2384 O LEU A 153 8.222 8.657 4.659 1.00 0.18 O ATOM 2385 CB LEU A 153 10.577 7.780 2.769 1.00 0.15 C ATOM 2386 CG LEU A 153 11.023 7.762 1.275 1.00 0.34 C ATOM 2387 CD1 LEU A 153 11.887 6.542 0.968 1.00 0.43 C ATOM 2388 CD2 LEU A 153 9.836 7.770 0.320 1.00 0.67 C ATOM 0 H LEU A 153 10.858 8.452 5.304 1.00 0.12 H new ATOM 0 HA LEU A 153 10.529 9.939 2.738 1.00 0.13 H new ATOM 0 HB2 LEU A 153 11.373 7.325 3.359 1.00 0.15 H new ATOM 0 HB3 LEU A 153 9.703 7.136 2.862 1.00 0.15 H new ATOM 0 HG LEU A 153 11.603 8.672 1.124 1.00 0.34 H new ATOM 0 HD11 LEU A 153 12.181 6.559 -0.081 1.00 0.43 H new ATOM 0 HD12 LEU A 153 12.778 6.560 1.595 1.00 0.43 H new ATOM 0 HD13 LEU A 153 11.319 5.634 1.171 1.00 0.43 H new ATOM 0 HD21 LEU A 153 10.196 7.757 -0.709 1.00 0.67 H new ATOM 0 HD22 LEU A 153 9.219 6.890 0.499 1.00 0.67 H new ATOM 0 HD23 LEU A 153 9.242 8.669 0.485 1.00 0.67 H new ATOM 2400 N SER A 154 7.943 9.938 2.819 1.00 0.14 N ATOM 2401 CA SER A 154 6.500 10.083 3.095 1.00 0.16 C ATOM 2402 C SER A 154 5.558 9.531 1.998 1.00 0.19 C ATOM 2403 O SER A 154 5.821 9.636 0.808 1.00 0.36 O ATOM 2404 CB SER A 154 6.198 11.576 3.340 1.00 0.21 C ATOM 2405 OG SER A 154 5.028 11.774 4.128 1.00 0.24 O ATOM 0 H SER A 154 8.278 10.396 1.971 1.00 0.14 H new ATOM 0 HA SER A 154 6.294 9.472 3.974 1.00 0.16 H new ATOM 0 HB2 SER A 154 7.050 12.039 3.838 1.00 0.21 H new ATOM 0 HB3 SER A 154 6.076 12.081 2.382 1.00 0.21 H new ATOM 0 HG SER A 154 4.825 10.954 4.624 1.00 0.24 H new ATOM 2411 N VAL A 155 4.432 8.943 2.440 1.00 0.16 N ATOM 2412 CA VAL A 155 3.391 8.423 1.502 1.00 0.19 C ATOM 2413 C VAL A 155 2.083 9.205 1.746 1.00 0.25 C ATOM 2414 O VAL A 155 1.330 8.904 2.674 1.00 0.30 O ATOM 2415 CB VAL A 155 3.047 6.854 1.545 1.00 0.28 C ATOM 2416 CG1 VAL A 155 3.231 6.198 0.159 1.00 0.39 C ATOM 2417 CG2 VAL A 155 3.835 6.018 2.580 1.00 0.74 C ATOM 0 H VAL A 155 4.210 8.811 3.427 1.00 0.16 H new ATOM 0 HA VAL A 155 3.834 8.571 0.517 1.00 0.19 H new ATOM 0 HB VAL A 155 2.004 6.840 1.860 1.00 0.28 H new ATOM 0 HG11 VAL A 155 2.990 5.137 0.224 1.00 0.39 H new ATOM 0 HG12 VAL A 155 2.568 6.677 -0.561 1.00 0.39 H new ATOM 0 HG13 VAL A 155 4.265 6.316 -0.165 1.00 0.39 H new ATOM 0 HG21 VAL A 155 3.522 4.976 2.520 1.00 0.74 H new ATOM 0 HG22 VAL A 155 4.902 6.089 2.369 1.00 0.74 H new ATOM 0 HG23 VAL A 155 3.638 6.399 3.582 1.00 0.74 H new ATOM 2427 N GLU A 156 1.833 10.197 0.885 1.00 0.28 N ATOM 2428 CA GLU A 156 0.648 11.058 1.002 1.00 0.36 C ATOM 2429 C GLU A 156 -0.330 10.880 -0.155 1.00 0.34 C ATOM 2430 O GLU A 156 0.051 10.953 -1.330 1.00 0.38 O ATOM 2431 CB GLU A 156 1.083 12.537 1.057 1.00 0.53 C ATOM 2432 CG GLU A 156 0.983 13.218 2.436 1.00 0.73 C ATOM 2433 CD GLU A 156 -0.444 13.562 2.832 1.00 1.26 C ATOM 2434 OE1 GLU A 156 -1.383 12.991 2.238 1.00 1.67 O ATOM 2435 OE2 GLU A 156 -0.621 14.407 3.735 1.00 1.66 O ATOM 0 H GLU A 156 2.437 10.425 0.096 1.00 0.28 H new ATOM 0 HA GLU A 156 0.137 10.765 1.919 1.00 0.36 H new ATOM 0 HB2 GLU A 156 2.115 12.605 0.714 1.00 0.53 H new ATOM 0 HB3 GLU A 156 0.475 13.101 0.350 1.00 0.53 H new ATOM 0 HG2 GLU A 156 1.414 12.560 3.191 1.00 0.73 H new ATOM 0 HG3 GLU A 156 1.581 14.129 2.428 1.00 0.73 H new ATOM 2442 N PHE A 157 -1.607 10.644 0.191 1.00 0.35 N ATOM 2443 CA PHE A 157 -2.647 10.508 -0.829 1.00 0.40 C ATOM 2444 C PHE A 157 -3.727 11.592 -0.667 1.00 0.41 C ATOM 2445 O PHE A 157 -4.315 11.787 0.414 1.00 0.43 O ATOM 2446 CB PHE A 157 -3.233 9.075 -0.911 1.00 0.51 C ATOM 2447 CG PHE A 157 -3.802 8.489 0.379 1.00 0.60 C ATOM 2448 CD1 PHE A 157 -2.968 7.856 1.294 1.00 0.99 C ATOM 2449 CD2 PHE A 157 -5.156 8.612 0.695 1.00 1.03 C ATOM 2450 CE1 PHE A 157 -3.463 7.359 2.482 1.00 1.55 C ATOM 2451 CE2 PHE A 157 -5.654 8.116 1.891 1.00 1.60 C ATOM 2452 CZ PHE A 157 -4.876 7.343 2.687 1.00 1.80 C ATOM 0 H PHE A 157 -1.935 10.546 1.152 1.00 0.35 H new ATOM 0 HA PHE A 157 -2.171 10.672 -1.796 1.00 0.40 H new ATOM 0 HB2 PHE A 157 -4.023 9.073 -1.662 1.00 0.51 H new ATOM 0 HB3 PHE A 157 -2.450 8.408 -1.271 1.00 0.51 H new ATOM 0 HD1 PHE A 157 -1.916 7.752 1.071 1.00 0.99 H new ATOM 0 HD2 PHE A 157 -5.824 9.099 0.000 1.00 1.03 H new ATOM 0 HE1 PHE A 157 -2.793 6.988 3.244 1.00 1.55 H new ATOM 0 HE2 PHE A 157 -6.666 8.347 2.189 1.00 1.60 H new ATOM 0 HZ PHE A 157 -5.315 6.729 3.459 1.00 1.80 H new ATOM 2462 N VAL A 158 -3.939 12.305 -1.789 1.00 0.43 N ATOM 2463 CA VAL A 158 -4.890 13.455 -1.886 1.00 0.46 C ATOM 2464 C VAL A 158 -6.161 13.054 -2.706 1.00 0.48 C ATOM 2465 O VAL A 158 -6.082 12.306 -3.694 1.00 0.47 O ATOM 2466 CB VAL A 158 -4.245 14.798 -2.526 1.00 0.50 C ATOM 2467 CG1 VAL A 158 -4.825 16.089 -1.891 1.00 0.58 C ATOM 2468 CG2 VAL A 158 -2.697 14.904 -2.428 1.00 0.58 C ATOM 0 H VAL A 158 -3.457 12.107 -2.666 1.00 0.43 H new ATOM 0 HA VAL A 158 -5.157 13.693 -0.856 1.00 0.46 H new ATOM 0 HB VAL A 158 -4.517 14.710 -3.578 1.00 0.50 H new ATOM 0 HG11 VAL A 158 -4.362 16.961 -2.353 1.00 0.58 H new ATOM 0 HG12 VAL A 158 -5.902 16.122 -2.053 1.00 0.58 H new ATOM 0 HG13 VAL A 158 -4.619 16.092 -0.821 1.00 0.58 H new ATOM 0 HG21 VAL A 158 -2.367 15.837 -2.884 1.00 0.58 H new ATOM 0 HG22 VAL A 158 -2.397 14.886 -1.380 1.00 0.58 H new ATOM 0 HG23 VAL A 158 -2.241 14.063 -2.951 1.00 0.58 H new ATOM 2478 N LYS A 159 -7.326 13.598 -2.282 1.00 0.52 N ATOM 2479 CA LYS A 159 -8.629 13.326 -2.933 1.00 0.56 C ATOM 2480 C LYS A 159 -9.047 14.430 -3.948 1.00 0.66 C ATOM 2481 O LYS A 159 -8.706 15.611 -3.790 1.00 0.81 O ATOM 2482 CB LYS A 159 -9.740 13.083 -1.861 1.00 0.72 C ATOM 2483 CG LYS A 159 -10.207 14.328 -1.041 1.00 1.06 C ATOM 2484 CD LYS A 159 -11.336 15.127 -1.743 1.00 1.48 C ATOM 2485 CE LYS A 159 -11.805 16.344 -0.927 1.00 1.63 C ATOM 2486 NZ LYS A 159 -12.546 15.932 0.297 1.00 2.18 N ATOM 0 H LYS A 159 -7.389 14.232 -1.486 1.00 0.52 H new ATOM 0 HA LYS A 159 -8.505 12.415 -3.518 1.00 0.56 H new ATOM 0 HB2 LYS A 159 -10.610 12.660 -2.363 1.00 0.72 H new ATOM 0 HB3 LYS A 159 -9.378 12.330 -1.161 1.00 0.72 H new ATOM 0 HG2 LYS A 159 -10.556 14.001 -0.061 1.00 1.06 H new ATOM 0 HG3 LYS A 159 -9.354 14.986 -0.873 1.00 1.06 H new ATOM 0 HD2 LYS A 159 -10.984 15.464 -2.718 1.00 1.48 H new ATOM 0 HD3 LYS A 159 -12.185 14.467 -1.921 1.00 1.48 H new ATOM 0 HE2 LYS A 159 -10.942 16.948 -0.645 1.00 1.63 H new ATOM 0 HE3 LYS A 159 -12.445 16.973 -1.546 1.00 1.63 H new ATOM 0 HZ1 LYS A 159 -12.276 16.548 1.090 1.00 2.18 H new ATOM 0 HZ2 LYS A 159 -13.569 16.013 0.127 1.00 2.18 H new ATOM 0 HZ3 LYS A 159 -12.311 14.946 0.530 1.00 2.18 H new ATOM 2500 N GLY A 160 -9.810 14.016 -4.981 1.00 0.74 N ATOM 2501 CA GLY A 160 -10.279 14.941 -6.031 1.00 0.93 C ATOM 2502 C GLY A 160 -11.709 15.502 -5.849 1.00 0.96 C ATOM 2503 O GLY A 160 -11.967 16.642 -6.242 1.00 1.02 O ATOM 0 H GLY A 160 -10.113 13.051 -5.109 1.00 0.74 H new ATOM 0 HA2 GLY A 160 -9.585 15.780 -6.085 1.00 0.93 H new ATOM 0 HA3 GLY A 160 -10.231 14.425 -6.990 1.00 0.93 H new ATOM 2507 N TYR A 161 -12.633 14.707 -5.259 1.00 0.96 N ATOM 2508 CA TYR A 161 -14.028 15.149 -5.038 1.00 1.02 C ATOM 2509 C TYR A 161 -14.446 15.064 -3.547 1.00 1.05 C ATOM 2510 O TYR A 161 -14.472 16.085 -2.855 1.00 1.11 O ATOM 2511 CB TYR A 161 -14.998 14.331 -5.918 1.00 1.14 C ATOM 2512 CG TYR A 161 -15.002 14.731 -7.401 1.00 1.34 C ATOM 2513 CD1 TYR A 161 -15.813 15.774 -7.863 1.00 1.81 C ATOM 2514 CD2 TYR A 161 -14.197 14.073 -8.339 1.00 1.63 C ATOM 2515 CE1 TYR A 161 -15.819 16.140 -9.199 1.00 2.26 C ATOM 2516 CE2 TYR A 161 -14.205 14.441 -9.675 1.00 2.07 C ATOM 2517 CZ TYR A 161 -15.017 15.471 -10.096 1.00 2.29 C ATOM 2518 OH TYR A 161 -15.026 15.835 -11.423 1.00 2.86 O ATOM 0 H TYR A 161 -12.438 13.762 -4.930 1.00 0.96 H new ATOM 0 HA TYR A 161 -14.081 16.199 -5.326 1.00 1.02 H new ATOM 0 HB2 TYR A 161 -14.737 13.275 -5.840 1.00 1.14 H new ATOM 0 HB3 TYR A 161 -16.008 14.440 -5.522 1.00 1.14 H new ATOM 0 HD1 TYR A 161 -16.445 16.303 -7.165 1.00 1.81 H new ATOM 0 HD2 TYR A 161 -13.558 13.264 -8.015 1.00 1.63 H new ATOM 0 HE1 TYR A 161 -16.451 16.948 -9.536 1.00 2.26 H new ATOM 0 HE2 TYR A 161 -13.577 13.922 -10.384 1.00 2.07 H new ATOM 0 HH TYR A 161 -14.404 15.266 -11.923 1.00 2.86 H new ATOM 2528 N TYR A 162 -14.773 13.845 -3.068 1.00 1.09 N ATOM 2529 CA TYR A 162 -15.191 13.611 -1.662 1.00 1.17 C ATOM 2530 C TYR A 162 -14.462 12.402 -1.031 1.00 1.10 C ATOM 2531 O TYR A 162 -13.997 12.477 0.109 1.00 1.71 O ATOM 2532 CB TYR A 162 -16.715 13.392 -1.581 1.00 1.54 C ATOM 2533 CG TYR A 162 -17.547 14.681 -1.655 1.00 1.88 C ATOM 2534 CD1 TYR A 162 -17.737 15.478 -0.521 1.00 2.00 C ATOM 2535 CD2 TYR A 162 -18.139 15.107 -2.852 1.00 2.57 C ATOM 2536 CE1 TYR A 162 -18.485 16.644 -0.579 1.00 2.64 C ATOM 2537 CE2 TYR A 162 -18.886 16.273 -2.907 1.00 3.18 C ATOM 2538 CZ TYR A 162 -19.054 17.033 -1.770 1.00 3.16 C ATOM 2539 OH TYR A 162 -19.796 18.191 -1.827 1.00 3.91 O ATOM 0 H TYR A 162 -14.756 12.999 -3.637 1.00 1.09 H new ATOM 0 HA TYR A 162 -14.917 14.502 -1.097 1.00 1.17 H new ATOM 0 HB2 TYR A 162 -17.018 12.731 -2.393 1.00 1.54 H new ATOM 0 HB3 TYR A 162 -16.947 12.878 -0.648 1.00 1.54 H new ATOM 0 HD1 TYR A 162 -17.293 15.179 0.417 1.00 2.00 H new ATOM 0 HD2 TYR A 162 -18.011 14.516 -3.747 1.00 2.57 H new ATOM 0 HE1 TYR A 162 -18.621 17.245 0.308 1.00 2.64 H new ATOM 0 HE2 TYR A 162 -19.335 16.585 -3.838 1.00 3.18 H new ATOM 0 HH TYR A 162 -20.127 18.323 -2.740 1.00 3.91 H new ATOM 2549 N ASP A 163 -14.368 11.290 -1.799 1.00 1.04 N ATOM 2550 CA ASP A 163 -13.695 10.031 -1.379 1.00 0.99 C ATOM 2551 C ASP A 163 -12.234 9.958 -1.857 1.00 1.06 C ATOM 2552 O ASP A 163 -11.813 10.637 -2.801 1.00 1.74 O ATOM 2553 CB ASP A 163 -14.468 8.826 -1.946 1.00 1.11 C ATOM 2554 CG ASP A 163 -15.457 8.231 -0.951 1.00 1.19 C ATOM 2555 OD1 ASP A 163 -16.586 8.756 -0.853 1.00 1.34 O ATOM 2556 OD2 ASP A 163 -15.099 7.246 -0.273 1.00 1.27 O ATOM 0 H ASP A 163 -14.761 11.239 -2.739 1.00 1.04 H new ATOM 0 HA ASP A 163 -13.689 10.013 -0.289 1.00 0.99 H new ATOM 0 HB2 ASP A 163 -15.005 9.135 -2.843 1.00 1.11 H new ATOM 0 HB3 ASP A 163 -13.758 8.056 -2.249 1.00 1.11 H new ATOM 2561 N ASN A 164 -11.480 9.120 -1.147 1.00 0.83 N ATOM 2562 CA ASN A 164 -10.064 8.841 -1.426 1.00 0.83 C ATOM 2563 C ASN A 164 -9.954 7.388 -2.027 1.00 1.01 C ATOM 2564 O ASN A 164 -10.992 6.845 -2.443 1.00 1.68 O ATOM 2565 CB ASN A 164 -9.308 9.049 -0.089 1.00 1.02 C ATOM 2566 CG ASN A 164 -8.225 10.130 -0.168 1.00 0.88 C ATOM 2567 OD1 ASN A 164 -7.518 10.244 -1.170 1.00 1.57 O ATOM 2568 ND2 ASN A 164 -8.095 10.942 0.884 1.00 0.82 N ATOM 0 H ASN A 164 -11.840 8.603 -0.344 1.00 0.83 H new ATOM 0 HA ASN A 164 -9.615 9.502 -2.168 1.00 0.83 H new ATOM 0 HB2 ASN A 164 -10.024 9.318 0.688 1.00 1.02 H new ATOM 0 HB3 ASN A 164 -8.850 8.107 0.212 1.00 1.02 H new ATOM 0 HD21 ASN A 164 -7.394 11.683 0.873 1.00 0.82 H new ATOM 0 HD22 ASN A 164 -8.696 10.821 1.699 1.00 0.82 H new ATOM 2575 N PRO A 165 -8.746 6.701 -2.153 1.00 0.87 N ATOM 2576 CA PRO A 165 -8.663 5.282 -2.699 1.00 1.06 C ATOM 2577 C PRO A 165 -9.406 4.189 -1.869 1.00 0.93 C ATOM 2578 O PRO A 165 -9.551 3.047 -2.314 1.00 1.76 O ATOM 2579 CB PRO A 165 -7.155 4.997 -2.704 1.00 1.45 C ATOM 2580 CG PRO A 165 -6.532 6.357 -2.812 1.00 2.06 C ATOM 2581 CD PRO A 165 -7.385 7.235 -1.922 1.00 1.41 C ATOM 0 HA PRO A 165 -9.157 5.232 -3.669 1.00 1.06 H new ATOM 0 HB2 PRO A 165 -6.842 4.485 -1.794 1.00 1.45 H new ATOM 0 HB3 PRO A 165 -6.871 4.360 -3.542 1.00 1.45 H new ATOM 0 HG2 PRO A 165 -5.494 6.346 -2.481 1.00 2.06 H new ATOM 0 HG3 PRO A 165 -6.534 6.714 -3.842 1.00 2.06 H new ATOM 0 HD2 PRO A 165 -7.091 7.158 -0.875 1.00 1.41 H new ATOM 0 HD3 PRO A 165 -7.310 8.287 -2.198 1.00 1.41 H new ATOM 2589 N LYS A 166 -9.863 4.595 -0.650 1.00 0.54 N ATOM 2590 CA LYS A 166 -10.660 3.786 0.316 1.00 0.47 C ATOM 2591 C LYS A 166 -9.811 2.789 1.160 1.00 0.42 C ATOM 2592 O LYS A 166 -9.552 3.077 2.333 1.00 0.47 O ATOM 2593 CB LYS A 166 -11.877 3.115 -0.375 1.00 0.82 C ATOM 2594 CG LYS A 166 -12.950 2.563 0.596 1.00 1.30 C ATOM 2595 CD LYS A 166 -13.887 1.536 -0.076 1.00 1.83 C ATOM 2596 CE LYS A 166 -14.969 1.025 0.887 1.00 2.33 C ATOM 2597 NZ LYS A 166 -15.868 2.121 1.341 1.00 3.00 N ATOM 0 H LYS A 166 -9.678 5.535 -0.300 1.00 0.54 H new ATOM 0 HA LYS A 166 -11.053 4.490 1.049 1.00 0.47 H new ATOM 0 HB2 LYS A 166 -12.346 3.841 -1.039 1.00 0.82 H new ATOM 0 HB3 LYS A 166 -11.517 2.298 -1.000 1.00 0.82 H new ATOM 0 HG2 LYS A 166 -12.457 2.096 1.449 1.00 1.30 H new ATOM 0 HG3 LYS A 166 -13.543 3.391 0.985 1.00 1.30 H new ATOM 0 HD2 LYS A 166 -14.362 1.993 -0.944 1.00 1.83 H new ATOM 0 HD3 LYS A 166 -13.299 0.693 -0.440 1.00 1.83 H new ATOM 0 HE2 LYS A 166 -15.559 0.252 0.394 1.00 2.33 H new ATOM 0 HE3 LYS A 166 -14.496 0.561 1.752 1.00 2.33 H new ATOM 0 HZ1 LYS A 166 -15.740 2.274 2.362 1.00 3.00 H new ATOM 0 HZ2 LYS A 166 -15.636 2.995 0.828 1.00 3.00 H new ATOM 0 HZ3 LYS A 166 -16.857 1.860 1.151 1.00 3.00 H new ATOM 2611 N VAL A 167 -9.370 1.622 0.591 1.00 0.39 N ATOM 2612 CA VAL A 167 -8.538 0.662 1.397 1.00 0.38 C ATOM 2613 C VAL A 167 -7.045 0.658 0.914 1.00 0.34 C ATOM 2614 O VAL A 167 -6.777 0.559 -0.310 1.00 0.33 O ATOM 2615 CB VAL A 167 -9.158 -0.844 1.560 1.00 0.45 C ATOM 2616 CG1 VAL A 167 -10.650 -0.871 1.953 1.00 0.80 C ATOM 2617 CG2 VAL A 167 -9.046 -1.765 0.341 1.00 0.58 C ATOM 0 H VAL A 167 -9.562 1.332 -0.368 1.00 0.39 H new ATOM 0 HA VAL A 167 -8.565 1.051 2.415 1.00 0.38 H new ATOM 0 HB VAL A 167 -8.517 -1.219 2.358 1.00 0.45 H new ATOM 0 HG11 VAL A 167 -10.984 -1.905 2.041 1.00 0.80 H new ATOM 0 HG12 VAL A 167 -10.784 -0.364 2.909 1.00 0.80 H new ATOM 0 HG13 VAL A 167 -11.237 -0.364 1.188 1.00 0.80 H new ATOM 0 HG21 VAL A 167 -9.492 -2.732 0.574 1.00 0.58 H new ATOM 0 HG22 VAL A 167 -9.571 -1.317 -0.503 1.00 0.58 H new ATOM 0 HG23 VAL A 167 -7.996 -1.902 0.084 1.00 0.58 H new ATOM 2627 N CYS A 168 -6.097 0.691 1.890 1.00 0.35 N ATOM 2628 CA CYS A 168 -4.653 0.753 1.549 1.00 0.35 C ATOM 2629 C CYS A 168 -3.816 -0.342 2.251 1.00 0.36 C ATOM 2630 O CYS A 168 -3.897 -0.517 3.456 1.00 0.48 O ATOM 2631 CB CYS A 168 -4.137 2.136 1.913 1.00 0.37 C ATOM 2632 SG CYS A 168 -2.583 2.599 1.110 1.00 0.87 S ATOM 0 H CYS A 168 -6.300 0.676 2.890 1.00 0.35 H new ATOM 0 HA CYS A 168 -4.547 0.568 0.480 1.00 0.35 H new ATOM 0 HB2 CYS A 168 -4.898 2.872 1.654 1.00 0.37 H new ATOM 0 HB3 CYS A 168 -4.001 2.185 2.993 1.00 0.37 H new ATOM 0 HG CYS A 168 -2.815 2.931 -0.125 1.00 0.87 H new ATOM 2638 N ALA A 169 -2.961 -1.033 1.450 1.00 0.29 N ATOM 2639 CA ALA A 169 -2.118 -2.194 1.888 1.00 0.29 C ATOM 2640 C ALA A 169 -0.554 -2.038 1.761 1.00 0.25 C ATOM 2641 O ALA A 169 0.122 -2.830 1.062 1.00 0.26 O ATOM 2642 CB ALA A 169 -2.639 -3.518 1.311 1.00 0.34 C ATOM 0 H ALA A 169 -2.831 -0.800 0.465 1.00 0.29 H new ATOM 0 HA ALA A 169 -2.249 -2.209 2.970 1.00 0.29 H new ATOM 0 HB1 ALA A 169 -2.004 -4.337 1.649 1.00 0.34 H new ATOM 0 HB2 ALA A 169 -3.661 -3.686 1.652 1.00 0.34 H new ATOM 0 HB3 ALA A 169 -2.623 -3.472 0.222 1.00 0.34 H new ATOM 2648 N LEU A 170 -0.005 -0.904 2.282 1.00 0.22 N ATOM 2649 CA LEU A 170 1.470 -0.544 2.288 1.00 0.21 C ATOM 2650 C LEU A 170 2.477 -1.676 2.680 1.00 0.19 C ATOM 2651 O LEU A 170 2.238 -2.451 3.613 1.00 0.34 O ATOM 2652 CB LEU A 170 1.682 0.574 3.325 1.00 0.31 C ATOM 2653 CG LEU A 170 2.142 1.988 2.852 1.00 0.38 C ATOM 2654 CD1 LEU A 170 3.430 1.956 2.006 1.00 0.50 C ATOM 2655 CD2 LEU A 170 1.034 2.717 2.083 1.00 0.70 C ATOM 0 H LEU A 170 -0.579 -0.187 2.725 1.00 0.22 H new ATOM 0 HA LEU A 170 1.684 -0.280 1.252 1.00 0.21 H new ATOM 0 HB2 LEU A 170 0.743 0.700 3.865 1.00 0.31 H new ATOM 0 HB3 LEU A 170 2.418 0.216 4.045 1.00 0.31 H new ATOM 0 HG LEU A 170 2.364 2.540 3.765 1.00 0.38 H new ATOM 0 HD11 LEU A 170 3.696 2.971 1.709 1.00 0.50 H new ATOM 0 HD12 LEU A 170 4.241 1.526 2.594 1.00 0.50 H new ATOM 0 HD13 LEU A 170 3.266 1.349 1.116 1.00 0.50 H new ATOM 0 HD21 LEU A 170 1.393 3.698 1.770 1.00 0.70 H new ATOM 0 HD22 LEU A 170 0.757 2.135 1.204 1.00 0.70 H new ATOM 0 HD23 LEU A 170 0.163 2.838 2.727 1.00 0.70 H new ATOM 2667 N PHE A 171 3.599 -1.730 1.946 1.00 0.16 N ATOM 2668 CA PHE A 171 4.655 -2.726 2.178 1.00 0.14 C ATOM 2669 C PHE A 171 6.029 -2.208 1.677 1.00 0.14 C ATOM 2670 O PHE A 171 6.287 -2.227 0.469 1.00 0.19 O ATOM 2671 CB PHE A 171 4.249 -4.051 1.446 1.00 0.17 C ATOM 2672 CG PHE A 171 5.307 -5.163 1.354 1.00 0.16 C ATOM 2673 CD1 PHE A 171 6.228 -5.383 2.379 1.00 0.15 C ATOM 2674 CD2 PHE A 171 5.374 -5.991 0.228 1.00 0.20 C ATOM 2675 CE1 PHE A 171 7.172 -6.378 2.284 1.00 0.15 C ATOM 2676 CE2 PHE A 171 6.325 -6.992 0.138 1.00 0.21 C ATOM 2677 CZ PHE A 171 7.224 -7.182 1.168 1.00 0.17 C ATOM 0 H PHE A 171 3.799 -1.088 1.179 1.00 0.16 H new ATOM 0 HA PHE A 171 4.759 -2.913 3.247 1.00 0.14 H new ATOM 0 HB2 PHE A 171 3.374 -4.460 1.951 1.00 0.17 H new ATOM 0 HB3 PHE A 171 3.941 -3.795 0.432 1.00 0.17 H new ATOM 0 HD1 PHE A 171 6.199 -4.761 3.262 1.00 0.15 H new ATOM 0 HD2 PHE A 171 4.674 -5.847 -0.582 1.00 0.20 H new ATOM 0 HE1 PHE A 171 7.876 -6.529 3.089 1.00 0.15 H new ATOM 0 HE2 PHE A 171 6.364 -7.624 -0.737 1.00 0.21 H new ATOM 0 HZ PHE A 171 7.968 -7.962 1.098 1.00 0.17 H new ATOM 2687 N ILE A 172 6.916 -1.738 2.600 1.00 0.10 N ATOM 2688 CA ILE A 172 8.273 -1.327 2.176 1.00 0.10 C ATOM 2689 C ILE A 172 9.376 -2.307 2.745 1.00 0.08 C ATOM 2690 O ILE A 172 9.537 -2.502 3.986 1.00 0.08 O ATOM 2691 CB ILE A 172 8.658 0.240 2.345 1.00 0.13 C ATOM 2692 CG1 ILE A 172 9.870 0.568 1.336 1.00 0.14 C ATOM 2693 CG2 ILE A 172 8.927 0.682 3.829 1.00 0.22 C ATOM 2694 CD1 ILE A 172 10.420 2.019 1.255 1.00 0.31 C ATOM 0 H ILE A 172 6.723 -1.639 3.597 1.00 0.10 H new ATOM 0 HA ILE A 172 8.247 -1.426 1.091 1.00 0.10 H new ATOM 0 HB ILE A 172 7.793 0.846 2.076 1.00 0.13 H new ATOM 0 HG12 ILE A 172 10.703 -0.084 1.601 1.00 0.14 H new ATOM 0 HG13 ILE A 172 9.549 0.283 0.334 1.00 0.14 H new ATOM 0 HG21 ILE A 172 9.178 1.743 3.853 1.00 0.22 H new ATOM 0 HG22 ILE A 172 8.034 0.506 4.429 1.00 0.22 H new ATOM 0 HG23 ILE A 172 9.757 0.104 4.236 1.00 0.22 H new ATOM 0 HD11 ILE A 172 11.231 2.061 0.528 1.00 0.31 H new ATOM 0 HD12 ILE A 172 9.622 2.694 0.947 1.00 0.31 H new ATOM 0 HD13 ILE A 172 10.794 2.322 2.233 1.00 0.31 H new ATOM 2706 N MET A 173 10.124 -2.887 1.805 1.00 0.09 N ATOM 2707 CA MET A 173 11.216 -3.818 2.118 1.00 0.11 C ATOM 2708 C MET A 173 12.547 -3.335 1.487 1.00 0.13 C ATOM 2709 O MET A 173 12.543 -2.481 0.586 1.00 0.21 O ATOM 2710 CB MET A 173 10.839 -5.262 1.690 1.00 0.15 C ATOM 2711 CG MET A 173 10.309 -5.400 0.240 1.00 0.17 C ATOM 2712 SD MET A 173 11.607 -5.346 -1.019 1.00 0.44 S ATOM 2713 CE MET A 173 12.627 -6.747 -0.559 1.00 0.26 C ATOM 0 H MET A 173 9.992 -2.727 0.806 1.00 0.09 H new ATOM 0 HA MET A 173 11.370 -3.837 3.197 1.00 0.11 H new ATOM 0 HB2 MET A 173 11.717 -5.898 1.802 1.00 0.15 H new ATOM 0 HB3 MET A 173 10.081 -5.641 2.375 1.00 0.15 H new ATOM 0 HG2 MET A 173 9.766 -6.341 0.149 1.00 0.17 H new ATOM 0 HG3 MET A 173 9.594 -4.600 0.046 1.00 0.17 H new ATOM 0 HE1 MET A 173 13.207 -7.073 -1.422 1.00 0.26 H new ATOM 0 HE2 MET A 173 13.304 -6.456 0.244 1.00 0.26 H new ATOM 0 HE3 MET A 173 11.991 -7.564 -0.219 1.00 0.26 H new ATOM 2723 N LYS A 174 13.693 -3.883 1.936 1.00 0.12 N ATOM 2724 CA LYS A 174 14.982 -3.384 1.431 1.00 0.19 C ATOM 2725 C LYS A 174 15.935 -4.389 0.733 1.00 0.16 C ATOM 2726 O LYS A 174 15.883 -5.613 0.888 1.00 0.17 O ATOM 2727 CB LYS A 174 15.743 -2.646 2.578 1.00 0.38 C ATOM 2728 CG LYS A 174 16.502 -3.568 3.567 1.00 0.54 C ATOM 2729 CD LYS A 174 17.224 -2.801 4.710 1.00 0.57 C ATOM 2730 CE LYS A 174 18.545 -2.140 4.260 1.00 0.49 C ATOM 2731 NZ LYS A 174 19.489 -3.127 3.662 1.00 1.26 N ATOM 0 H LYS A 174 13.753 -4.639 2.618 1.00 0.12 H new ATOM 0 HA LYS A 174 14.690 -2.718 0.619 1.00 0.19 H new ATOM 0 HB2 LYS A 174 16.456 -1.953 2.132 1.00 0.38 H new ATOM 0 HB3 LYS A 174 15.027 -2.047 3.141 1.00 0.38 H new ATOM 0 HG2 LYS A 174 15.797 -4.275 4.005 1.00 0.54 H new ATOM 0 HG3 LYS A 174 17.237 -4.153 3.013 1.00 0.54 H new ATOM 0 HD2 LYS A 174 16.556 -2.034 5.102 1.00 0.57 H new ATOM 0 HD3 LYS A 174 17.431 -3.491 5.528 1.00 0.57 H new ATOM 0 HE2 LYS A 174 18.329 -1.358 3.532 1.00 0.49 H new ATOM 0 HE3 LYS A 174 19.019 -1.658 5.115 1.00 0.49 H new ATOM 0 HZ1 LYS A 174 20.450 -2.728 3.655 1.00 1.26 H new ATOM 0 HZ2 LYS A 174 19.481 -4.001 4.226 1.00 1.26 H new ATOM 0 HZ3 LYS A 174 19.196 -3.341 2.687 1.00 1.26 H new ATOM 2745 N GLY A 175 16.804 -3.735 -0.037 1.00 0.14 N ATOM 2746 CA GLY A 175 17.938 -4.299 -0.772 1.00 0.15 C ATOM 2747 C GLY A 175 17.828 -4.469 -2.299 1.00 0.13 C ATOM 2748 O GLY A 175 18.754 -3.990 -2.964 1.00 0.17 O ATOM 0 H GLY A 175 16.730 -2.727 -0.174 1.00 0.14 H new ATOM 0 HA2 GLY A 175 18.805 -3.669 -0.573 1.00 0.15 H new ATOM 0 HA3 GLY A 175 18.151 -5.279 -0.346 1.00 0.15 H new ATOM 2752 N THR A 176 16.661 -4.932 -2.874 1.00 0.11 N ATOM 2753 CA THR A 176 16.504 -5.135 -4.370 1.00 0.10 C ATOM 2754 C THR A 176 15.088 -5.601 -4.782 1.00 0.10 C ATOM 2755 O THR A 176 14.354 -6.226 -4.006 1.00 0.13 O ATOM 2756 CB THR A 176 17.504 -6.172 -5.036 1.00 0.12 C ATOM 2757 OG1 THR A 176 18.027 -7.130 -4.094 1.00 0.15 O ATOM 2758 CG2 THR A 176 18.678 -5.497 -5.789 1.00 0.15 C ATOM 0 H THR A 176 15.827 -5.169 -2.336 1.00 0.11 H new ATOM 0 HA THR A 176 16.726 -4.133 -4.736 1.00 0.10 H new ATOM 0 HB THR A 176 16.893 -6.701 -5.767 1.00 0.12 H new ATOM 0 HG1 THR A 176 18.635 -7.745 -4.556 1.00 0.15 H new ATOM 0 HG21 THR A 176 19.323 -6.263 -6.220 1.00 0.15 H new ATOM 0 HG22 THR A 176 18.284 -4.865 -6.585 1.00 0.15 H new ATOM 0 HG23 THR A 176 19.254 -4.888 -5.093 1.00 0.15 H new ATOM 2766 N ALA A 177 14.732 -5.284 -6.067 1.00 0.10 N ATOM 2767 CA ALA A 177 13.443 -5.674 -6.724 1.00 0.11 C ATOM 2768 C ALA A 177 13.431 -7.152 -7.283 1.00 0.15 C ATOM 2769 O ALA A 177 12.367 -7.693 -7.624 1.00 0.17 O ATOM 2770 CB ALA A 177 13.122 -4.661 -7.848 1.00 0.15 C ATOM 0 H ALA A 177 15.341 -4.744 -6.682 1.00 0.10 H new ATOM 0 HA ALA A 177 12.671 -5.650 -5.955 1.00 0.11 H new ATOM 0 HB1 ALA A 177 12.185 -4.938 -8.331 1.00 0.15 H new ATOM 0 HB2 ALA A 177 13.029 -3.662 -7.422 1.00 0.15 H new ATOM 0 HB3 ALA A 177 13.926 -4.668 -8.584 1.00 0.15 H new ATOM 2776 N ASP A 178 14.627 -7.804 -7.352 1.00 0.19 N ATOM 2777 CA ASP A 178 14.778 -9.218 -7.812 1.00 0.24 C ATOM 2778 C ASP A 178 14.627 -10.281 -6.666 1.00 0.26 C ATOM 2779 O ASP A 178 14.811 -11.480 -6.903 1.00 0.31 O ATOM 2780 CB ASP A 178 16.148 -9.396 -8.489 1.00 0.31 C ATOM 2781 CG ASP A 178 16.099 -9.220 -10.003 1.00 0.42 C ATOM 2782 OD1 ASP A 178 16.208 -8.068 -10.471 1.00 0.51 O ATOM 2783 OD2 ASP A 178 15.950 -10.237 -10.715 1.00 0.55 O ATOM 0 H ASP A 178 15.511 -7.367 -7.092 1.00 0.19 H new ATOM 0 HA ASP A 178 13.964 -9.398 -8.514 1.00 0.24 H new ATOM 0 HB2 ASP A 178 16.850 -8.676 -8.069 1.00 0.31 H new ATOM 0 HB3 ASP A 178 16.534 -10.389 -8.258 1.00 0.31 H new ATOM 2788 N ASP A 179 14.282 -9.824 -5.437 1.00 0.24 N ATOM 2789 CA ASP A 179 14.108 -10.702 -4.254 1.00 0.31 C ATOM 2790 C ASP A 179 12.624 -10.888 -3.813 1.00 0.32 C ATOM 2791 O ASP A 179 12.330 -11.810 -3.047 1.00 0.44 O ATOM 2792 CB ASP A 179 14.926 -10.154 -3.073 1.00 0.37 C ATOM 2793 CG ASP A 179 16.282 -10.834 -2.921 1.00 0.48 C ATOM 2794 OD1 ASP A 179 17.249 -10.386 -3.572 1.00 0.52 O ATOM 2795 OD2 ASP A 179 16.371 -11.813 -2.149 1.00 0.60 O ATOM 0 H ASP A 179 14.117 -8.837 -5.238 1.00 0.24 H new ATOM 0 HA ASP A 179 14.467 -11.686 -4.555 1.00 0.31 H new ATOM 0 HB2 ASP A 179 15.076 -9.083 -3.208 1.00 0.37 H new ATOM 0 HB3 ASP A 179 14.356 -10.282 -2.153 1.00 0.37 H new ATOM 2800 N VAL A 180 11.691 -10.009 -4.292 1.00 0.24 N ATOM 2801 CA VAL A 180 10.244 -10.079 -3.977 1.00 0.29 C ATOM 2802 C VAL A 180 9.484 -11.177 -4.823 1.00 0.50 C ATOM 2803 O VAL A 180 9.873 -11.459 -5.964 1.00 0.95 O ATOM 2804 CB VAL A 180 9.460 -8.670 -4.130 1.00 0.27 C ATOM 2805 CG1 VAL A 180 9.530 -7.835 -2.838 1.00 0.48 C ATOM 2806 CG2 VAL A 180 9.914 -7.762 -5.316 1.00 0.50 C ATOM 0 H VAL A 180 11.931 -9.233 -4.909 1.00 0.24 H new ATOM 0 HA VAL A 180 10.230 -10.357 -2.923 1.00 0.29 H new ATOM 0 HB VAL A 180 8.439 -8.986 -4.346 1.00 0.27 H new ATOM 0 HG11 VAL A 180 8.992 -6.898 -2.981 1.00 0.48 H new ATOM 0 HG12 VAL A 180 9.075 -8.393 -2.019 1.00 0.48 H new ATOM 0 HG13 VAL A 180 10.572 -7.623 -2.598 1.00 0.48 H new ATOM 0 HG21 VAL A 180 9.322 -6.847 -5.321 1.00 0.50 H new ATOM 0 HG22 VAL A 180 10.968 -7.511 -5.199 1.00 0.50 H new ATOM 0 HG23 VAL A 180 9.769 -8.293 -6.257 1.00 0.50 H new ATOM 2816 N PRO A 181 8.389 -11.802 -4.262 1.00 0.59 N ATOM 2817 CA PRO A 181 7.543 -12.865 -4.945 1.00 0.75 C ATOM 2818 C PRO A 181 6.810 -12.432 -6.249 1.00 1.31 C ATOM 2819 O PRO A 181 5.989 -11.509 -6.237 1.00 1.80 O ATOM 2820 CB PRO A 181 6.479 -13.180 -3.869 1.00 1.20 C ATOM 2821 CG PRO A 181 6.459 -11.930 -3.037 1.00 1.57 C ATOM 2822 CD PRO A 181 7.899 -11.586 -2.879 1.00 1.05 C ATOM 0 HA PRO A 181 8.182 -13.685 -5.272 1.00 0.75 H new ATOM 0 HB2 PRO A 181 5.505 -13.385 -4.313 1.00 1.20 H new ATOM 0 HB3 PRO A 181 6.750 -14.054 -3.277 1.00 1.20 H new ATOM 0 HG2 PRO A 181 5.908 -11.129 -3.531 1.00 1.57 H new ATOM 0 HG3 PRO A 181 5.980 -12.099 -2.073 1.00 1.57 H new ATOM 0 HD2 PRO A 181 8.044 -10.559 -2.545 1.00 1.05 H new ATOM 0 HD3 PRO A 181 8.401 -12.230 -2.157 1.00 1.05 H new ATOM 2830 N MET A 182 7.138 -13.116 -7.359 1.00 1.54 N ATOM 2831 CA MET A 182 6.530 -12.846 -8.675 1.00 2.26 C ATOM 2832 C MET A 182 6.296 -14.155 -9.448 1.00 2.40 C ATOM 2833 O MET A 182 7.231 -14.741 -10.005 1.00 2.49 O ATOM 2834 CB MET A 182 7.419 -11.897 -9.512 1.00 2.82 C ATOM 2835 CG MET A 182 7.371 -10.420 -9.079 1.00 3.46 C ATOM 2836 SD MET A 182 5.752 -9.667 -9.356 1.00 4.01 S ATOM 2837 CE MET A 182 6.012 -8.018 -8.701 1.00 4.96 C ATOM 0 H MET A 182 7.828 -13.867 -7.370 1.00 1.54 H new ATOM 0 HA MET A 182 5.569 -12.362 -8.501 1.00 2.26 H new ATOM 0 HB2 MET A 182 8.451 -12.244 -9.456 1.00 2.82 H new ATOM 0 HB3 MET A 182 7.116 -11.965 -10.557 1.00 2.82 H new ATOM 0 HG2 MET A 182 7.626 -10.347 -8.022 1.00 3.46 H new ATOM 0 HG3 MET A 182 8.127 -9.859 -9.629 1.00 3.46 H new ATOM 0 HE1 MET A 182 5.096 -7.437 -8.804 1.00 4.96 H new ATOM 0 HE2 MET A 182 6.283 -8.084 -7.647 1.00 4.96 H new ATOM 0 HE3 MET A 182 6.815 -7.530 -9.253 1.00 4.96 H new ATOM 2847 N LEU A 183 5.029 -14.605 -9.467 1.00 2.65 N ATOM 2848 CA LEU A 183 4.639 -15.849 -10.160 1.00 2.86 C ATOM 2849 C LEU A 183 3.329 -15.704 -10.966 1.00 3.61 C ATOM 2850 O LEU A 183 2.613 -14.697 -10.883 1.00 4.00 O ATOM 2851 CB LEU A 183 4.481 -17.008 -9.137 1.00 2.51 C ATOM 2852 CG LEU A 183 5.792 -17.686 -8.646 1.00 2.24 C ATOM 2853 CD1 LEU A 183 5.642 -18.213 -7.219 1.00 2.43 C ATOM 2854 CD2 LEU A 183 6.216 -18.834 -9.570 1.00 2.58 C ATOM 0 H LEU A 183 4.254 -14.125 -9.009 1.00 2.65 H new ATOM 0 HA LEU A 183 5.438 -16.071 -10.867 1.00 2.86 H new ATOM 0 HB2 LEU A 183 3.949 -16.624 -8.266 1.00 2.51 H new ATOM 0 HB3 LEU A 183 3.848 -17.774 -9.585 1.00 2.51 H new ATOM 0 HG LEU A 183 6.567 -16.919 -8.664 1.00 2.24 H new ATOM 0 HD11 LEU A 183 6.575 -18.681 -6.904 1.00 2.43 H new ATOM 0 HD12 LEU A 183 5.407 -17.386 -6.549 1.00 2.43 H new ATOM 0 HD13 LEU A 183 4.838 -18.948 -7.185 1.00 2.43 H new ATOM 0 HD21 LEU A 183 7.136 -19.283 -9.194 1.00 2.58 H new ATOM 0 HD22 LEU A 183 5.429 -19.588 -9.598 1.00 2.58 H new ATOM 0 HD23 LEU A 183 6.385 -18.448 -10.575 1.00 2.58 H new ATOM 2866 N GLN A 184 3.037 -16.756 -11.748 1.00 3.87 N ATOM 2867 CA GLN A 184 1.824 -16.851 -12.591 1.00 4.58 C ATOM 2868 C GLN A 184 0.801 -17.852 -11.974 1.00 4.68 C ATOM 2869 O GLN A 184 1.202 -18.721 -11.185 1.00 4.25 O ATOM 2870 CB GLN A 184 2.245 -17.325 -14.002 1.00 4.95 C ATOM 2871 CG GLN A 184 2.833 -16.226 -14.912 1.00 5.32 C ATOM 2872 CD GLN A 184 1.774 -15.295 -15.482 1.00 5.82 C ATOM 2873 OE1 GLN A 184 1.211 -15.556 -16.546 1.00 6.06 O ATOM 2874 NE2 GLN A 184 1.501 -14.202 -14.779 1.00 6.27 N ATOM 0 H GLN A 184 3.640 -17.576 -11.817 1.00 3.87 H new ATOM 0 HA GLN A 184 1.343 -15.874 -12.650 1.00 4.58 H new ATOM 0 HB2 GLN A 184 2.982 -18.121 -13.896 1.00 4.95 H new ATOM 0 HB3 GLN A 184 1.376 -17.759 -14.497 1.00 4.95 H new ATOM 0 HG2 GLN A 184 3.556 -15.640 -14.344 1.00 5.32 H new ATOM 0 HG3 GLN A 184 3.377 -16.694 -15.733 1.00 5.32 H new ATOM 0 HE21 GLN A 184 1.991 -14.024 -13.902 1.00 6.27 H new ATOM 0 HE22 GLN A 184 0.801 -13.541 -15.116 1.00 6.27 H new ATOM 2883 N PRO A 185 -0.550 -17.775 -12.308 1.00 5.36 N ATOM 2884 CA PRO A 185 -1.582 -18.712 -11.737 1.00 5.62 C ATOM 2885 C PRO A 185 -1.457 -20.181 -12.188 1.00 5.52 C ATOM 2886 O PRO A 185 -1.496 -20.488 -13.385 1.00 5.77 O ATOM 2887 CB PRO A 185 -2.920 -18.153 -12.252 1.00 6.42 C ATOM 2888 CG PRO A 185 -2.552 -17.364 -13.482 1.00 6.59 C ATOM 2889 CD PRO A 185 -1.194 -16.753 -13.181 1.00 5.99 C ATOM 0 HA PRO A 185 -1.471 -18.747 -10.653 1.00 5.62 H new ATOM 0 HB2 PRO A 185 -3.620 -18.954 -12.489 1.00 6.42 H new ATOM 0 HB3 PRO A 185 -3.400 -17.522 -11.505 1.00 6.42 H new ATOM 0 HG2 PRO A 185 -2.507 -18.006 -14.361 1.00 6.59 H new ATOM 0 HG3 PRO A 185 -3.293 -16.592 -13.689 1.00 6.59 H new ATOM 0 HD2 PRO A 185 -0.619 -16.580 -14.091 1.00 5.99 H new ATOM 0 HD3 PRO A 185 -1.287 -15.792 -12.675 1.00 5.99 H new ATOM 2897 N HIS A 186 -1.302 -21.064 -11.198 1.00 5.25 N ATOM 2898 CA HIS A 186 -1.161 -22.495 -11.450 1.00 5.19 C ATOM 2899 C HIS A 186 -2.023 -23.340 -10.454 1.00 5.51 C ATOM 2900 O HIS A 186 -2.032 -23.052 -9.249 1.00 5.51 O ATOM 2901 CB HIS A 186 0.339 -22.889 -11.356 1.00 4.55 C ATOM 2902 CG HIS A 186 0.679 -24.212 -12.008 1.00 4.63 C ATOM 2903 ND1 HIS A 186 0.226 -25.422 -11.527 1.00 4.77 N ATOM 2904 CD2 HIS A 186 1.371 -24.502 -13.139 1.00 4.82 C ATOM 2905 CE1 HIS A 186 0.607 -26.392 -12.327 1.00 4.89 C ATOM 2906 NE2 HIS A 186 1.308 -25.864 -13.314 1.00 4.96 N ATOM 0 H HIS A 186 -1.271 -20.808 -10.211 1.00 5.25 H new ATOM 0 HA HIS A 186 -1.528 -22.710 -12.453 1.00 5.19 H new ATOM 0 HB2 HIS A 186 0.938 -22.105 -11.819 1.00 4.55 H new ATOM 0 HB3 HIS A 186 0.626 -22.931 -10.305 1.00 4.55 H new ATOM 0 HD1 HIS A 186 -0.323 -25.546 -10.676 1.00 4.77 H new ATOM 0 HD2 HIS A 186 1.876 -23.795 -13.781 1.00 4.82 H new ATOM 0 HE1 HIS A 186 0.385 -27.441 -12.199 1.00 4.89 H new ATOM 2915 N PRO A 187 -2.752 -24.420 -10.934 1.00 5.90 N ATOM 2916 CA PRO A 187 -3.576 -25.321 -10.053 1.00 6.31 C ATOM 2917 C PRO A 187 -2.756 -26.470 -9.385 1.00 6.06 C ATOM 2918 O PRO A 187 -1.547 -26.335 -9.180 1.00 5.96 O ATOM 2919 CB PRO A 187 -4.565 -25.911 -11.082 1.00 6.77 C ATOM 2920 CG PRO A 187 -3.697 -26.112 -12.284 1.00 6.43 C ATOM 2921 CD PRO A 187 -2.920 -24.811 -12.373 1.00 6.09 C ATOM 0 HA PRO A 187 -4.018 -24.790 -9.210 1.00 6.31 H new ATOM 0 HB2 PRO A 187 -5.001 -26.848 -10.735 1.00 6.77 H new ATOM 0 HB3 PRO A 187 -5.392 -25.231 -11.287 1.00 6.77 H new ATOM 0 HG2 PRO A 187 -3.034 -26.969 -12.163 1.00 6.43 H new ATOM 0 HG3 PRO A 187 -4.288 -26.290 -13.182 1.00 6.43 H new ATOM 0 HD2 PRO A 187 -1.959 -24.948 -12.869 1.00 6.09 H new ATOM 0 HD3 PRO A 187 -3.465 -24.053 -12.936 1.00 6.09 H new ATOM 2929 N GLY A 188 -3.432 -27.577 -9.046 1.00 6.19 N ATOM 2930 CA GLY A 188 -2.747 -28.719 -8.467 1.00 6.09 C ATOM 2931 C GLY A 188 -3.681 -29.746 -7.839 1.00 6.57 C ATOM 2932 O GLY A 188 -4.647 -30.198 -8.465 1.00 7.02 O ATOM 0 H GLY A 188 -4.438 -27.696 -9.164 1.00 6.19 H new ATOM 0 HA2 GLY A 188 -2.155 -29.206 -9.242 1.00 6.09 H new ATOM 0 HA3 GLY A 188 -2.049 -28.365 -7.708 1.00 6.09 H new ATOM 2936 N LEU A 189 -3.368 -30.123 -6.589 1.00 6.77 N ATOM 2937 CA LEU A 189 -4.161 -31.109 -5.828 1.00 7.51 C ATOM 2938 C LEU A 189 -4.754 -30.494 -4.546 1.00 7.90 C ATOM 2939 O LEU A 189 -4.023 -30.146 -3.610 1.00 7.97 O ATOM 2940 CB LEU A 189 -3.289 -32.332 -5.466 1.00 7.96 C ATOM 2941 CG LEU A 189 -2.768 -33.184 -6.658 1.00 8.35 C ATOM 2942 CD1 LEU A 189 -1.403 -33.795 -6.346 1.00 8.85 C ATOM 2943 CD2 LEU A 189 -3.752 -34.297 -7.033 1.00 8.99 C ATOM 0 H LEU A 189 -2.564 -29.758 -6.078 1.00 6.77 H new ATOM 0 HA LEU A 189 -4.988 -31.427 -6.464 1.00 7.51 H new ATOM 0 HB2 LEU A 189 -2.430 -31.982 -4.894 1.00 7.96 H new ATOM 0 HB3 LEU A 189 -3.867 -32.981 -4.808 1.00 7.96 H new ATOM 0 HG LEU A 189 -2.670 -32.508 -7.507 1.00 8.35 H new ATOM 0 HD11 LEU A 189 -1.065 -34.385 -7.198 1.00 8.85 H new ATOM 0 HD12 LEU A 189 -0.685 -32.999 -6.148 1.00 8.85 H new ATOM 0 HD13 LEU A 189 -1.484 -34.437 -5.469 1.00 8.85 H new ATOM 0 HD21 LEU A 189 -3.352 -34.870 -7.870 1.00 8.99 H new ATOM 0 HD22 LEU A 189 -3.898 -34.957 -6.178 1.00 8.99 H new ATOM 0 HD23 LEU A 189 -4.707 -33.857 -7.318 1.00 8.99 H new ATOM 2955 N GLU A 190 -6.094 -30.371 -4.522 1.00 8.45 N ATOM 2956 CA GLU A 190 -6.817 -29.801 -3.374 1.00 9.15 C ATOM 2957 C GLU A 190 -7.991 -30.696 -2.959 1.00 10.12 C ATOM 2958 O GLU A 190 -9.087 -30.543 -3.538 1.00 10.56 O ATOM 2959 CB GLU A 190 -7.340 -28.388 -3.712 1.00 9.15 C ATOM 2960 CG GLU A 190 -6.251 -27.313 -3.838 1.00 8.88 C ATOM 2961 CD GLU A 190 -6.810 -25.975 -4.286 1.00 9.20 C ATOM 2962 OE1 GLU A 190 -6.922 -25.758 -5.512 1.00 9.58 O ATOM 2963 OE2 GLU A 190 -7.135 -25.143 -3.412 1.00 9.27 O ATOM 2964 OXT GLU A 190 -7.801 -31.543 -2.059 1.00 10.60 O ATOM 0 H GLU A 190 -6.699 -30.661 -5.290 1.00 8.45 H new ATOM 0 HA GLU A 190 -6.116 -29.737 -2.541 1.00 9.15 H new ATOM 0 HB2 GLU A 190 -7.895 -28.435 -4.649 1.00 9.15 H new ATOM 0 HB3 GLU A 190 -8.045 -28.082 -2.939 1.00 9.15 H new ATOM 0 HG2 GLU A 190 -5.751 -27.192 -2.877 1.00 8.88 H new ATOM 0 HG3 GLU A 190 -5.496 -27.646 -4.551 1.00 8.88 H new TER 2971 GLU A 190 HETATM 2972 C1 GLC A 191 -19.213 6.924 3.080 1.00 1.34 C HETATM 2973 C2 GLC A 191 -17.885 6.771 2.232 1.00 1.55 C HETATM 2974 C3 GLC A 191 -17.321 5.283 2.358 1.00 1.62 C HETATM 2975 C4 GLC A 191 -17.235 4.775 3.866 1.00 1.59 C HETATM 2976 C5 GLC A 191 -18.647 4.961 4.579 1.00 1.39 C HETATM 2977 C6 GLC A 191 -18.662 4.663 6.109 1.00 1.49 C HETATM 2978 O2 GLC A 191 -18.174 6.999 0.852 1.00 1.64 O HETATM 2979 O3 GLC A 191 -16.014 5.244 1.784 1.00 1.88 O HETATM 2980 O4 GLC A 191 -16.839 3.399 3.884 1.00 1.73 O HETATM 2981 O5 GLC A 191 -18.951 6.414 4.451 1.00 1.36 O HETATM 2982 O6 GLC A 191 -19.436 5.552 6.903 1.00 1.50 O HETATM 0 HO6 GLC A 191 -19.642 6.358 6.385 1.00 1.50 H new HETATM 0 HO4 GLC A 191 -16.099 3.280 4.516 1.00 1.73 H new HETATM 0 HO3 GLC A 191 -15.923 5.967 1.128 1.00 1.88 H new HETATM 0 HO2 GLC A 191 -17.576 7.692 0.503 1.00 1.64 H new HETATM 0 H62 GLC A 191 -19.037 3.651 6.260 1.00 1.49 H new HETATM 0 H61 GLC A 191 -17.635 4.680 6.474 1.00 1.49 H new HETATM 0 H5 GLC A 191 -19.347 4.267 4.113 1.00 1.39 H new HETATM 0 H4 GLC A 191 -16.494 5.362 4.409 1.00 1.59 H new HETATM 0 H3 GLC A 191 -18.014 4.624 1.835 1.00 1.62 H new HETATM 0 H2 GLC A 191 -17.155 7.489 2.605 1.00 1.55 H new HETATM 2994 C2 BGC A 192 -23.596 8.044 1.182 1.00 1.56 C HETATM 2995 C3 BGC A 192 -22.127 7.439 1.157 1.00 1.44 C HETATM 2996 C4 BGC A 192 -21.665 6.871 2.583 1.00 1.26 C HETATM 2997 C5 BGC A 192 -22.766 5.829 3.100 1.00 1.30 C HETATM 2998 C6 BGC A 192 -22.518 5.270 4.533 1.00 1.26 C HETATM 2999 C1 BGC A 192 -24.564 7.029 1.873 1.00 1.63 C HETATM 3000 O1 BGC A 192 -25.811 7.599 2.111 1.00 1.86 O HETATM 3001 O2 BGC A 192 -24.041 8.305 -0.149 1.00 1.78 O HETATM 3002 O3 BGC A 192 -21.224 8.465 0.750 1.00 1.54 O HETATM 3003 O4 BGC A 192 -20.329 6.230 2.475 1.00 1.27 O HETATM 3004 O5 BGC A 192 -24.028 6.612 3.188 1.00 1.47 O HETATM 3005 O6 BGC A 192 -23.658 5.202 5.379 1.00 1.46 O HETATM 0 H6C2 BGC A 192 -22.096 4.269 4.443 1.00 1.26 H new HETATM 0 H6C1 BGC A 192 -21.765 5.891 5.019 1.00 1.26 H new HETATM 0 HC BGC A 192 -20.308 8.116 0.755 1.00 1.54 H new HETATM 0 HB BGC A 192 -24.948 8.676 -0.124 1.00 1.78 H new HETATM 0 HA BGC A 192 -26.395 6.941 2.543 1.00 1.86 H new HETATM 0 H6 BGC A 192 -24.394 5.710 4.978 1.00 1.46 H new HETATM 0 H5 BGC A 192 -22.764 4.979 2.418 1.00 1.30 H new HETATM 0 H4 BGC A 192 -21.579 7.687 3.300 1.00 1.26 H new HETATM 0 H3 BGC A 192 -22.123 6.601 0.460 1.00 1.44 H new HETATM 0 H2 BGC A 192 -23.589 8.980 1.741 1.00 1.56 H new HETATM 0 H1 BGC A 192 -24.657 6.179 1.197 1.00 1.63 H new