USER MOD reduce.3.24.130724 H: found=0, std=0, add=1273, rem=0, adj=36 USER MOD reduce.3.24.130724 removed 1270 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 96 LYS NZ :NH3+ 167:sc= 1 (180deg=-0.0919) USER MOD Set 1.2: A 131 GLN :FLIP amide:sc=-0.00132 F(o=-1.9,f=-0.7) USER MOD Set 1.3: A 158 GLN : amide:sc= -1.71 K(o=-0.7,f=-14!) USER MOD Set 2.1: A 76 SER OG : rot 180:sc= 0.053 USER MOD Set 2.2: A 110 LYS NZ :NH3+ -175:sc= 0.034 (180deg=0) USER MOD Set 2.3: A 114 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.1: A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.2: A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 4.1: A 19 SER OG : rot 128:sc= 1.05 USER MOD Set 4.2: A 72 THR OG1 : rot 172:sc= 1.69 USER MOD Set 4.3: A 142 SER OG : rot -71:sc= 0.844 USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 10 GLN : amide:sc= -1.97 K(o=-2,f=-2.8!) USER MOD Single : A 20 SER OG : rot 63:sc= 0.431 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ 149:sc=-0.000415 (180deg=-0.0581) USER MOD Single : A 33 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 36 THR OG1 : rot 89:sc= 0.0558 USER MOD Single : A 38 ASN : amide:sc= -0.923 X(o=-0.92,f=-0.65) USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 46 ASN : amide:sc= -3.04 K(o=-3,f=-8.3!) USER MOD Single : A 49 GLN :FLIP amide:sc= -0.206 F(o=-1.5,f=-0.21) USER MOD Single : A 52 GLN : amide:sc= -0.128 X(o=-0.13,f=-0.02) USER MOD Single : A 53 SER OG : rot -8:sc= -2.4 USER MOD Single : A 55 HIS : no HD1:sc= -0.394 X(o=-0.39,f=0) USER MOD Single : A 56 LYS NZ :NH3+ -166:sc= -0.648 (180deg=-0.902) USER MOD Single : A 58 SER OG : rot 48:sc= -0.142 USER MOD Single : A 59 SER OG : rot 75:sc= 0.991 USER MOD Single : A 65 SER OG : rot 66:sc= -0.278 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 73 THR OG1 : rot 180:sc= -0.72 USER MOD Single : A 75 HIS : no HE2:sc= -1.04 K(o=-1,f=-3.4!) USER MOD Single : A 92 CYS SG : rot 180:sc= 0 USER MOD Single : A 101 THR OG1 : rot 180:sc= -0.0727 USER MOD Single : A 105 ASN : amide:sc= -0.319 X(o=-0.32,f=-0.027) USER MOD Single : A 106 ASN : amide:sc= -0.236 K(o=-0.24,f=-1.1) USER MOD Single : A 107 SER OG : rot 80:sc= -0.622 USER MOD Single : A 108 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 THR OG1 : rot -75:sc= 0.208 USER MOD Single : A 113 SER OG : rot 180:sc= 0.0528 USER MOD Single : A 116 CYS SG : rot 73:sc= 0.814 USER MOD Single : A 117 SER OG : rot 180:sc= 0 USER MOD Single : A 120 THR OG1 : rot 81:sc= 0.0244 USER MOD Single : A 122 SER OG : rot -68:sc= 0.961 USER MOD Single : A 128 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 136 THR OG1 : rot -177:sc= -0.417 USER MOD Single : A 141 GLN :FLIP amide:sc= 0 F(o=-1.7,f=0) USER MOD Single : A 146 HIS :FLIP no HE2:sc= -0.464 F(o=-1.9,f=-0.46) USER MOD Single : A 149 HIS : no HE2:sc= -4.47 K(o=-4.5,f=-9.1!) USER MOD Single : A 151 SER OG : rot 180:sc= -0.132 USER MOD Single : A 153 ASN : amide:sc= -4.25! C(o=-4.3!,f=-4.9!) USER MOD Single : A 160 THR OG1 : rot 139:sc= 0.937 USER MOD Single : A 162 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 163 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 165 ASN : amide:sc= -0.752 K(o=-0.75,f=-1.6!) USER MOD ----------------------------------------------------------------- ATOM 27 N ASP A 3 -13.551 4.112 -2.657 1.00 0.30 N ATOM 28 CA ASP A 3 -12.407 4.144 -1.754 1.00 0.30 C ATOM 29 C ASP A 3 -11.099 4.030 -2.531 1.00 0.27 C ATOM 30 O ASP A 3 -10.189 4.841 -2.358 1.00 0.32 O ATOM 31 CB ASP A 3 -12.506 3.012 -0.729 1.00 0.37 C ATOM 32 CG ASP A 3 -12.672 3.527 0.687 1.00 0.78 C ATOM 33 OD1 ASP A 3 -13.681 4.212 0.953 1.00 1.79 O ATOM 34 OD2 ASP A 3 -11.792 3.245 1.528 1.00 2.11 O ATOM 0 HA ASP A 3 -12.416 5.100 -1.230 1.00 0.30 H new ATOM 0 HB2 ASP A 3 -13.351 2.371 -0.981 1.00 0.37 H new ATOM 0 HB3 ASP A 3 -11.609 2.395 -0.785 1.00 0.37 H new ATOM 39 N PHE A 4 -11.011 3.019 -3.388 1.00 0.25 N ATOM 40 CA PHE A 4 -9.815 2.798 -4.192 1.00 0.25 C ATOM 41 C PHE A 4 -10.150 2.803 -5.680 1.00 0.25 C ATOM 42 O PHE A 4 -9.398 2.275 -6.499 1.00 0.33 O ATOM 43 CB PHE A 4 -9.158 1.470 -3.810 1.00 0.25 C ATOM 44 CG PHE A 4 -9.138 1.214 -2.330 1.00 0.26 C ATOM 45 CD1 PHE A 4 -8.718 2.197 -1.449 1.00 1.51 C ATOM 46 CD2 PHE A 4 -9.538 -0.011 -1.820 1.00 1.48 C ATOM 47 CE1 PHE A 4 -8.699 1.965 -0.088 1.00 1.53 C ATOM 48 CE2 PHE A 4 -9.522 -0.250 -0.459 1.00 1.47 C ATOM 49 CZ PHE A 4 -9.102 0.740 0.409 1.00 0.32 C ATOM 0 H PHE A 4 -11.755 2.339 -3.544 1.00 0.25 H new ATOM 0 HA PHE A 4 -9.118 3.612 -3.993 1.00 0.25 H new ATOM 0 HB2 PHE A 4 -9.689 0.656 -4.304 1.00 0.25 H new ATOM 0 HB3 PHE A 4 -8.135 1.459 -4.186 1.00 0.25 H new ATOM 0 HD1 PHE A 4 -8.402 3.156 -1.831 1.00 1.51 H new ATOM 0 HD2 PHE A 4 -9.866 -0.788 -2.494 1.00 1.48 H new ATOM 0 HE1 PHE A 4 -8.369 2.740 0.588 1.00 1.53 H new ATOM 0 HE2 PHE A 4 -9.837 -1.209 -0.074 1.00 1.47 H new ATOM 0 HZ PHE A 4 -9.089 0.557 1.473 1.00 0.32 H new ATOM 59 N GLY A 5 -11.285 3.404 -6.023 1.00 0.23 N ATOM 60 CA GLY A 5 -11.701 3.466 -7.412 1.00 0.25 C ATOM 61 C GLY A 5 -11.777 2.097 -8.057 1.00 0.23 C ATOM 62 O GLY A 5 -11.364 1.918 -9.203 1.00 0.26 O ATOM 0 H GLY A 5 -11.924 3.849 -5.364 1.00 0.23 H new ATOM 0 HA2 GLY A 5 -12.677 3.948 -7.474 1.00 0.25 H new ATOM 0 HA3 GLY A 5 -11.002 4.089 -7.970 1.00 0.25 H new ATOM 66 N ILE A 6 -12.306 1.126 -7.320 1.00 0.20 N ATOM 67 CA ILE A 6 -12.435 -0.234 -7.827 1.00 0.20 C ATOM 68 C ILE A 6 -13.697 -0.390 -8.668 1.00 0.26 C ATOM 69 O ILE A 6 -14.626 0.412 -8.566 1.00 0.27 O ATOM 70 CB ILE A 6 -12.465 -1.262 -6.681 1.00 0.17 C ATOM 71 CG1 ILE A 6 -11.477 -0.864 -5.582 1.00 0.18 C ATOM 72 CG2 ILE A 6 -12.147 -2.654 -7.208 1.00 0.21 C ATOM 73 CD1 ILE A 6 -12.131 -0.201 -4.391 1.00 0.20 C ATOM 0 H ILE A 6 -12.652 1.256 -6.369 1.00 0.20 H new ATOM 0 HA ILE A 6 -11.561 -0.422 -8.450 1.00 0.20 H new ATOM 0 HB ILE A 6 -13.468 -1.277 -6.254 1.00 0.17 H new ATOM 0 HG12 ILE A 6 -10.944 -1.753 -5.245 1.00 0.18 H new ATOM 0 HG13 ILE A 6 -10.733 -0.186 -6.002 1.00 0.18 H new ATOM 0 HG21 ILE A 6 -12.172 -3.369 -6.386 1.00 0.21 H new ATOM 0 HG22 ILE A 6 -12.886 -2.937 -7.958 1.00 0.21 H new ATOM 0 HG23 ILE A 6 -11.155 -2.654 -7.659 1.00 0.21 H new ATOM 0 HD11 ILE A 6 -11.370 0.053 -3.653 1.00 0.20 H new ATOM 0 HD12 ILE A 6 -12.641 0.707 -4.714 1.00 0.20 H new ATOM 0 HD13 ILE A 6 -12.854 -0.884 -3.946 1.00 0.20 H new ATOM 85 N SER A 7 -13.725 -1.429 -9.497 1.00 0.32 N ATOM 86 CA SER A 7 -14.872 -1.691 -10.357 1.00 0.42 C ATOM 87 C SER A 7 -14.918 -3.158 -10.772 1.00 0.33 C ATOM 88 O SER A 7 -13.960 -3.903 -10.565 1.00 0.29 O ATOM 89 CB SER A 7 -14.818 -0.799 -11.600 1.00 0.56 C ATOM 90 OG SER A 7 -15.955 0.042 -11.673 1.00 1.81 O ATOM 0 H SER A 7 -12.965 -2.103 -9.591 1.00 0.32 H new ATOM 0 HA SER A 7 -15.777 -1.463 -9.793 1.00 0.42 H new ATOM 0 HB2 SER A 7 -13.913 -0.192 -11.577 1.00 0.56 H new ATOM 0 HB3 SER A 7 -14.762 -1.419 -12.495 1.00 0.56 H new ATOM 0 HG SER A 7 -15.896 0.603 -12.474 1.00 1.81 H new ATOM 96 N ALA A 8 -16.038 -3.567 -11.359 1.00 0.31 N ATOM 97 CA ALA A 8 -16.209 -4.943 -11.805 1.00 0.27 C ATOM 98 C ALA A 8 -15.725 -5.119 -13.240 1.00 0.21 C ATOM 99 O ALA A 8 -16.070 -4.337 -14.122 1.00 0.21 O ATOM 100 CB ALA A 8 -17.667 -5.360 -11.682 1.00 0.35 C ATOM 0 H ALA A 8 -16.841 -2.964 -11.537 1.00 0.31 H new ATOM 0 HA ALA A 8 -15.604 -5.585 -11.164 1.00 0.27 H new ATOM 0 HB1 ALA A 8 -17.780 -6.390 -12.019 1.00 0.35 H new ATOM 0 HB2 ALA A 8 -17.981 -5.282 -10.641 1.00 0.35 H new ATOM 0 HB3 ALA A 8 -18.285 -4.707 -12.298 1.00 0.35 H new ATOM 106 N GLY A 9 -14.922 -6.155 -13.466 1.00 0.23 N ATOM 107 CA GLY A 9 -14.403 -6.415 -14.795 1.00 0.23 C ATOM 108 C GLY A 9 -12.915 -6.145 -14.899 1.00 0.24 C ATOM 109 O GLY A 9 -12.329 -6.269 -15.974 1.00 0.40 O ATOM 0 H GLY A 9 -14.622 -6.818 -12.752 1.00 0.23 H new ATOM 0 HA2 GLY A 9 -14.600 -7.453 -15.062 1.00 0.23 H new ATOM 0 HA3 GLY A 9 -14.933 -5.794 -15.517 1.00 0.23 H new ATOM 113 N GLN A 10 -12.302 -5.773 -13.780 1.00 0.19 N ATOM 114 CA GLN A 10 -10.875 -5.482 -13.752 1.00 0.18 C ATOM 115 C GLN A 10 -10.158 -6.369 -12.739 1.00 0.16 C ATOM 116 O GLN A 10 -10.792 -7.001 -11.894 1.00 0.18 O ATOM 117 CB GLN A 10 -10.639 -4.009 -13.414 1.00 0.24 C ATOM 118 CG GLN A 10 -11.559 -3.480 -12.326 1.00 0.29 C ATOM 119 CD GLN A 10 -11.359 -2.000 -12.062 1.00 0.83 C ATOM 120 OE1 GLN A 10 -12.116 -1.162 -12.555 1.00 1.29 O ATOM 121 NE2 GLN A 10 -10.338 -1.670 -11.280 1.00 1.12 N ATOM 0 H GLN A 10 -12.772 -5.666 -12.881 1.00 0.19 H new ATOM 0 HA GLN A 10 -10.469 -5.690 -14.742 1.00 0.18 H new ATOM 0 HB2 GLN A 10 -9.604 -3.879 -13.098 1.00 0.24 H new ATOM 0 HB3 GLN A 10 -10.775 -3.412 -14.316 1.00 0.24 H new ATOM 0 HG2 GLN A 10 -12.595 -3.657 -12.614 1.00 0.29 H new ATOM 0 HG3 GLN A 10 -11.384 -4.036 -11.405 1.00 0.29 H new ATOM 0 HE21 GLN A 10 -9.736 -2.397 -10.893 1.00 1.12 H new ATOM 0 HE22 GLN A 10 -10.155 -0.690 -11.066 1.00 1.12 H new ATOM 130 N PHE A 11 -8.833 -6.412 -12.830 1.00 0.16 N ATOM 131 CA PHE A 11 -8.030 -7.223 -11.922 1.00 0.15 C ATOM 132 C PHE A 11 -7.454 -6.369 -10.795 1.00 0.21 C ATOM 133 O PHE A 11 -7.019 -5.239 -11.016 1.00 0.63 O ATOM 134 CB PHE A 11 -6.897 -7.911 -12.687 1.00 0.17 C ATOM 135 CG PHE A 11 -7.310 -9.197 -13.341 1.00 0.16 C ATOM 136 CD1 PHE A 11 -8.526 -9.297 -13.998 1.00 1.27 C ATOM 137 CD2 PHE A 11 -6.483 -10.309 -13.298 1.00 1.26 C ATOM 138 CE1 PHE A 11 -8.908 -10.478 -14.602 1.00 1.26 C ATOM 139 CE2 PHE A 11 -6.861 -11.493 -13.900 1.00 1.29 C ATOM 140 CZ PHE A 11 -8.075 -11.580 -14.552 1.00 0.22 C ATOM 0 H PHE A 11 -8.292 -5.895 -13.523 1.00 0.16 H new ATOM 0 HA PHE A 11 -8.677 -7.983 -11.483 1.00 0.15 H new ATOM 0 HB2 PHE A 11 -6.518 -7.230 -13.449 1.00 0.17 H new ATOM 0 HB3 PHE A 11 -6.074 -8.110 -12.000 1.00 0.17 H new ATOM 0 HD1 PHE A 11 -9.183 -8.441 -14.038 1.00 1.27 H new ATOM 0 HD2 PHE A 11 -5.533 -10.249 -12.788 1.00 1.26 H new ATOM 0 HE1 PHE A 11 -9.857 -10.541 -15.113 1.00 1.26 H new ATOM 0 HE2 PHE A 11 -6.207 -12.351 -13.861 1.00 1.29 H new ATOM 0 HZ PHE A 11 -8.373 -12.506 -15.021 1.00 0.22 H new ATOM 150 N VAL A 12 -7.456 -6.920 -9.585 1.00 0.25 N ATOM 151 CA VAL A 12 -6.934 -6.211 -8.423 1.00 0.24 C ATOM 152 C VAL A 12 -6.200 -7.160 -7.482 1.00 0.28 C ATOM 153 O VAL A 12 -6.611 -8.304 -7.297 1.00 0.49 O ATOM 154 CB VAL A 12 -8.060 -5.504 -7.645 1.00 0.28 C ATOM 155 CG1 VAL A 12 -7.488 -4.716 -6.475 1.00 1.85 C ATOM 156 CG2 VAL A 12 -8.858 -4.596 -8.568 1.00 1.83 C ATOM 0 H VAL A 12 -7.813 -7.854 -9.384 1.00 0.25 H new ATOM 0 HA VAL A 12 -6.235 -5.463 -8.797 1.00 0.24 H new ATOM 0 HB VAL A 12 -8.734 -6.263 -7.248 1.00 0.28 H new ATOM 0 HG11 VAL A 12 -8.298 -4.223 -5.937 1.00 1.85 H new ATOM 0 HG12 VAL A 12 -6.965 -5.394 -5.801 1.00 1.85 H new ATOM 0 HG13 VAL A 12 -6.791 -3.965 -6.848 1.00 1.85 H new ATOM 0 HG21 VAL A 12 -9.649 -4.105 -8.001 1.00 1.83 H new ATOM 0 HG22 VAL A 12 -8.198 -3.842 -8.997 1.00 1.83 H new ATOM 0 HG23 VAL A 12 -9.300 -5.189 -9.369 1.00 1.83 H new ATOM 166 N ALA A 13 -5.112 -6.678 -6.894 1.00 0.17 N ATOM 167 CA ALA A 13 -4.322 -7.482 -5.970 1.00 0.19 C ATOM 168 C ALA A 13 -4.279 -6.847 -4.585 1.00 0.19 C ATOM 169 O ALA A 13 -3.785 -5.732 -4.417 1.00 0.29 O ATOM 170 CB ALA A 13 -2.912 -7.672 -6.509 1.00 0.20 C ATOM 0 H ALA A 13 -4.756 -5.733 -7.041 1.00 0.17 H new ATOM 0 HA ALA A 13 -4.800 -8.457 -5.878 1.00 0.19 H new ATOM 0 HB1 ALA A 13 -2.333 -8.274 -5.809 1.00 0.20 H new ATOM 0 HB2 ALA A 13 -2.956 -8.179 -7.473 1.00 0.20 H new ATOM 0 HB3 ALA A 13 -2.435 -6.700 -6.632 1.00 0.20 H new ATOM 176 N VAL A 14 -4.802 -7.562 -3.594 1.00 0.13 N ATOM 177 CA VAL A 14 -4.824 -7.068 -2.223 1.00 0.13 C ATOM 178 C VAL A 14 -3.598 -7.542 -1.449 1.00 0.13 C ATOM 179 O VAL A 14 -3.388 -8.742 -1.272 1.00 0.16 O ATOM 180 CB VAL A 14 -6.094 -7.526 -1.481 1.00 0.13 C ATOM 181 CG1 VAL A 14 -6.096 -7.003 -0.053 1.00 0.13 C ATOM 182 CG2 VAL A 14 -7.338 -7.070 -2.227 1.00 0.13 C ATOM 0 H VAL A 14 -5.216 -8.486 -3.716 1.00 0.13 H new ATOM 0 HA VAL A 14 -4.818 -5.979 -2.279 1.00 0.13 H new ATOM 0 HB VAL A 14 -6.100 -8.615 -1.442 1.00 0.13 H new ATOM 0 HG11 VAL A 14 -7.001 -7.337 0.455 1.00 0.13 H new ATOM 0 HG12 VAL A 14 -5.222 -7.384 0.475 1.00 0.13 H new ATOM 0 HG13 VAL A 14 -6.067 -5.913 -0.065 1.00 0.13 H new ATOM 0 HG21 VAL A 14 -8.226 -7.402 -1.690 1.00 0.13 H new ATOM 0 HG22 VAL A 14 -7.342 -5.982 -2.298 1.00 0.13 H new ATOM 0 HG23 VAL A 14 -7.339 -7.499 -3.229 1.00 0.13 H new ATOM 192 N VAL A 15 -2.791 -6.590 -0.990 1.00 0.13 N ATOM 193 CA VAL A 15 -1.586 -6.908 -0.232 1.00 0.14 C ATOM 194 C VAL A 15 -1.797 -6.677 1.259 1.00 0.14 C ATOM 195 O VAL A 15 -2.029 -5.550 1.696 1.00 0.18 O ATOM 196 CB VAL A 15 -0.387 -6.067 -0.707 1.00 0.15 C ATOM 197 CG1 VAL A 15 0.898 -6.552 -0.054 1.00 0.19 C ATOM 198 CG2 VAL A 15 -0.273 -6.109 -2.224 1.00 0.18 C ATOM 0 H VAL A 15 -2.950 -5.592 -1.130 1.00 0.13 H new ATOM 0 HA VAL A 15 -1.372 -7.963 -0.405 1.00 0.14 H new ATOM 0 HB VAL A 15 -0.551 -5.032 -0.407 1.00 0.15 H new ATOM 0 HG11 VAL A 15 1.734 -5.946 -0.402 1.00 0.19 H new ATOM 0 HG12 VAL A 15 0.812 -6.464 1.029 1.00 0.19 H new ATOM 0 HG13 VAL A 15 1.070 -7.595 -0.320 1.00 0.19 H new ATOM 0 HG21 VAL A 15 0.580 -5.509 -2.542 1.00 0.18 H new ATOM 0 HG22 VAL A 15 -0.133 -7.140 -2.550 1.00 0.18 H new ATOM 0 HG23 VAL A 15 -1.184 -5.708 -2.669 1.00 0.18 H new ATOM 208 N TRP A 16 -1.716 -7.752 2.035 1.00 0.12 N ATOM 209 CA TRP A 16 -1.898 -7.666 3.480 1.00 0.13 C ATOM 210 C TRP A 16 -0.623 -8.068 4.215 1.00 0.15 C ATOM 211 O TRP A 16 0.305 -8.611 3.614 1.00 0.16 O ATOM 212 CB TRP A 16 -3.059 -8.559 3.923 1.00 0.12 C ATOM 213 CG TRP A 16 -2.793 -10.021 3.725 1.00 0.12 C ATOM 214 CD1 TRP A 16 -2.666 -10.676 2.534 1.00 0.11 C ATOM 215 CD2 TRP A 16 -2.622 -11.007 4.749 1.00 0.14 C ATOM 216 NE1 TRP A 16 -2.428 -12.011 2.755 1.00 0.12 N ATOM 217 CE2 TRP A 16 -2.395 -12.239 4.106 1.00 0.14 C ATOM 218 CE3 TRP A 16 -2.637 -10.967 6.146 1.00 0.17 C ATOM 219 CZ2 TRP A 16 -2.186 -13.420 4.814 1.00 0.17 C ATOM 220 CZ3 TRP A 16 -2.430 -12.140 6.846 1.00 0.20 C ATOM 221 CH2 TRP A 16 -2.207 -13.353 6.181 1.00 0.20 C ATOM 0 H TRP A 16 -1.526 -8.692 1.689 1.00 0.12 H new ATOM 0 HA TRP A 16 -2.129 -6.631 3.730 1.00 0.13 H new ATOM 0 HB2 TRP A 16 -3.268 -8.375 4.977 1.00 0.12 H new ATOM 0 HB3 TRP A 16 -3.954 -8.281 3.367 1.00 0.12 H new ATOM 0 HD1 TRP A 16 -2.741 -10.213 1.561 1.00 0.11 H new ATOM 0 HE1 TRP A 16 -2.297 -12.718 2.031 1.00 0.12 H new ATOM 0 HE3 TRP A 16 -2.807 -10.037 6.668 1.00 0.17 H new ATOM 0 HZ2 TRP A 16 -2.013 -14.355 4.303 1.00 0.17 H new ATOM 0 HZ3 TRP A 16 -2.440 -12.122 7.926 1.00 0.20 H new ATOM 0 HH2 TRP A 16 -2.049 -14.252 6.758 1.00 0.20 H new ATOM 232 N ASP A 17 -0.584 -7.798 5.514 1.00 0.16 N ATOM 233 CA ASP A 17 0.577 -8.132 6.329 1.00 0.18 C ATOM 234 C ASP A 17 0.170 -8.387 7.776 1.00 0.18 C ATOM 235 O ASP A 17 -1.017 -8.487 8.091 1.00 0.18 O ATOM 236 CB ASP A 17 1.610 -7.006 6.270 1.00 0.18 C ATOM 237 CG ASP A 17 1.113 -5.728 6.914 1.00 0.55 C ATOM 238 OD1 ASP A 17 0.149 -5.133 6.385 1.00 1.81 O ATOM 239 OD2 ASP A 17 1.686 -5.322 7.946 1.00 1.86 O ATOM 0 H ASP A 17 -1.343 -7.349 6.026 1.00 0.16 H new ATOM 0 HA ASP A 17 1.020 -9.044 5.928 1.00 0.18 H new ATOM 0 HB2 ASP A 17 2.524 -7.329 6.769 1.00 0.18 H new ATOM 0 HB3 ASP A 17 1.868 -6.808 5.230 1.00 0.18 H new ATOM 244 N LYS A 18 1.159 -8.495 8.655 1.00 0.20 N ATOM 245 CA LYS A 18 0.906 -8.739 10.070 1.00 0.21 C ATOM 246 C LYS A 18 0.005 -7.656 10.656 1.00 0.20 C ATOM 247 O LYS A 18 -0.831 -7.929 11.517 1.00 0.23 O ATOM 248 CB LYS A 18 2.224 -8.794 10.844 1.00 0.23 C ATOM 249 CG LYS A 18 2.171 -9.685 12.074 1.00 1.18 C ATOM 250 CD LYS A 18 3.551 -10.196 12.452 1.00 1.42 C ATOM 251 CE LYS A 18 3.486 -11.606 13.019 1.00 2.58 C ATOM 252 NZ LYS A 18 3.303 -12.627 11.950 1.00 3.38 N ATOM 0 H LYS A 18 2.147 -8.417 8.412 1.00 0.20 H new ATOM 0 HA LYS A 18 0.398 -9.699 10.162 1.00 0.21 H new ATOM 0 HB2 LYS A 18 3.011 -9.152 10.180 1.00 0.23 H new ATOM 0 HB3 LYS A 18 2.499 -7.784 11.149 1.00 0.23 H new ATOM 0 HG2 LYS A 18 1.747 -9.128 12.910 1.00 1.18 H new ATOM 0 HG3 LYS A 18 1.509 -10.530 11.884 1.00 1.18 H new ATOM 0 HD2 LYS A 18 4.197 -10.185 11.574 1.00 1.42 H new ATOM 0 HD3 LYS A 18 3.999 -9.527 13.187 1.00 1.42 H new ATOM 0 HE2 LYS A 18 4.402 -11.818 13.570 1.00 2.58 H new ATOM 0 HE3 LYS A 18 2.663 -11.674 13.730 1.00 2.58 H new ATOM 0 HZ1 LYS A 18 3.264 -13.574 12.378 1.00 3.38 H new ATOM 0 HZ2 LYS A 18 2.416 -12.440 11.440 1.00 3.38 H new ATOM 0 HZ3 LYS A 18 4.101 -12.580 11.285 1.00 3.38 H new ATOM 266 N SER A 19 0.180 -6.426 10.181 1.00 0.16 N ATOM 267 CA SER A 19 -0.615 -5.302 10.660 1.00 0.16 C ATOM 268 C SER A 19 -2.040 -5.374 10.118 1.00 0.16 C ATOM 269 O SER A 19 -2.918 -4.626 10.548 1.00 0.17 O ATOM 270 CB SER A 19 0.033 -3.978 10.248 1.00 0.16 C ATOM 271 OG SER A 19 -0.320 -2.937 11.141 1.00 1.30 O ATOM 0 H SER A 19 0.865 -6.184 9.465 1.00 0.16 H new ATOM 0 HA SER A 19 -0.655 -5.355 11.748 1.00 0.16 H new ATOM 0 HB2 SER A 19 1.117 -4.091 10.227 1.00 0.16 H new ATOM 0 HB3 SER A 19 -0.280 -3.716 9.237 1.00 0.16 H new ATOM 0 HG SER A 19 0.491 -2.486 11.454 1.00 1.30 H new ATOM 277 N SER A 20 -2.260 -6.278 9.170 1.00 0.15 N ATOM 278 CA SER A 20 -3.575 -6.447 8.564 1.00 0.14 C ATOM 279 C SER A 20 -4.235 -7.734 9.049 1.00 0.16 C ATOM 280 O SER A 20 -4.021 -8.816 8.503 1.00 0.16 O ATOM 281 CB SER A 20 -3.459 -6.463 7.039 1.00 0.12 C ATOM 282 OG SER A 20 -2.497 -5.524 6.591 1.00 0.12 O ATOM 0 H SER A 20 -1.544 -6.906 8.804 1.00 0.15 H new ATOM 0 HA SER A 20 -4.197 -5.604 8.865 1.00 0.14 H new ATOM 0 HB2 SER A 20 -3.181 -7.462 6.703 1.00 0.12 H new ATOM 0 HB3 SER A 20 -4.428 -6.236 6.595 1.00 0.12 H new ATOM 0 HG SER A 20 -1.613 -5.774 6.932 1.00 0.12 H new ATOM 288 N PRO A 21 -5.060 -7.616 10.100 1.00 0.18 N ATOM 289 CA PRO A 21 -5.769 -8.760 10.682 1.00 0.20 C ATOM 290 C PRO A 21 -6.861 -9.293 9.763 1.00 0.19 C ATOM 291 O PRO A 21 -7.547 -8.527 9.084 1.00 0.17 O ATOM 292 CB PRO A 21 -6.383 -8.182 11.961 1.00 0.23 C ATOM 293 CG PRO A 21 -6.519 -6.723 11.691 1.00 0.22 C ATOM 294 CD PRO A 21 -5.363 -6.357 10.802 1.00 0.19 C ATOM 0 HA PRO A 21 -5.104 -9.606 10.855 1.00 0.20 H new ATOM 0 HB2 PRO A 21 -7.350 -8.636 12.176 1.00 0.23 H new ATOM 0 HB3 PRO A 21 -5.745 -8.367 12.825 1.00 0.23 H new ATOM 0 HG2 PRO A 21 -7.470 -6.503 11.205 1.00 0.22 H new ATOM 0 HG3 PRO A 21 -6.495 -6.151 12.618 1.00 0.22 H new ATOM 0 HD2 PRO A 21 -5.628 -5.562 10.105 1.00 0.19 H new ATOM 0 HD3 PRO A 21 -4.509 -6.003 11.379 1.00 0.19 H new ATOM 302 N VAL A 22 -7.019 -10.614 9.743 1.00 0.19 N ATOM 303 CA VAL A 22 -8.029 -11.250 8.906 1.00 0.19 C ATOM 304 C VAL A 22 -9.388 -10.581 9.080 1.00 0.19 C ATOM 305 O VAL A 22 -10.183 -10.514 8.143 1.00 0.19 O ATOM 306 CB VAL A 22 -8.162 -12.751 9.230 1.00 0.21 C ATOM 307 CG1 VAL A 22 -9.289 -13.373 8.421 1.00 0.22 C ATOM 308 CG2 VAL A 22 -6.847 -13.470 8.970 1.00 0.22 C ATOM 0 H VAL A 22 -6.460 -11.263 10.297 1.00 0.19 H new ATOM 0 HA VAL A 22 -7.701 -11.136 7.873 1.00 0.19 H new ATOM 0 HB VAL A 22 -8.405 -12.858 10.287 1.00 0.21 H new ATOM 0 HG11 VAL A 22 -9.368 -14.433 8.663 1.00 0.22 H new ATOM 0 HG12 VAL A 22 -10.228 -12.875 8.662 1.00 0.22 H new ATOM 0 HG13 VAL A 22 -9.080 -13.258 7.357 1.00 0.22 H new ATOM 0 HG21 VAL A 22 -6.959 -14.529 9.204 1.00 0.22 H new ATOM 0 HG22 VAL A 22 -6.572 -13.357 7.921 1.00 0.22 H new ATOM 0 HG23 VAL A 22 -6.067 -13.040 9.598 1.00 0.22 H new ATOM 318 N GLU A 23 -9.648 -10.089 10.288 1.00 0.21 N ATOM 319 CA GLU A 23 -10.913 -9.426 10.584 1.00 0.22 C ATOM 320 C GLU A 23 -11.215 -8.342 9.554 1.00 0.21 C ATOM 321 O GLU A 23 -12.289 -8.323 8.953 1.00 0.21 O ATOM 322 CB GLU A 23 -10.876 -8.814 11.987 1.00 0.25 C ATOM 323 CG GLU A 23 -10.416 -9.786 13.062 1.00 0.26 C ATOM 324 CD GLU A 23 -11.393 -9.883 14.216 1.00 1.28 C ATOM 325 OE1 GLU A 23 -11.470 -8.926 15.013 1.00 2.20 O ATOM 326 OE2 GLU A 23 -12.083 -10.919 14.323 1.00 2.48 O ATOM 0 H GLU A 23 -9.001 -10.137 11.075 1.00 0.21 H new ATOM 0 HA GLU A 23 -11.704 -10.174 10.540 1.00 0.22 H new ATOM 0 HB2 GLU A 23 -10.211 -7.951 11.980 1.00 0.25 H new ATOM 0 HB3 GLU A 23 -11.871 -8.448 12.241 1.00 0.25 H new ATOM 0 HG2 GLU A 23 -10.282 -10.773 12.620 1.00 0.26 H new ATOM 0 HG3 GLU A 23 -9.443 -9.471 13.440 1.00 0.26 H new ATOM 333 N ALA A 24 -10.259 -7.442 9.353 1.00 0.20 N ATOM 334 CA ALA A 24 -10.420 -6.356 8.395 1.00 0.19 C ATOM 335 C ALA A 24 -9.979 -6.784 7.000 1.00 0.16 C ATOM 336 O ALA A 24 -10.661 -6.514 6.010 1.00 0.16 O ATOM 337 CB ALA A 24 -9.635 -5.133 8.845 1.00 0.19 C ATOM 0 H ALA A 24 -9.364 -7.444 9.842 1.00 0.20 H new ATOM 0 HA ALA A 24 -11.478 -6.099 8.351 1.00 0.19 H new ATOM 0 HB1 ALA A 24 -9.765 -4.330 8.119 1.00 0.19 H new ATOM 0 HB2 ALA A 24 -9.999 -4.805 9.819 1.00 0.19 H new ATOM 0 HB3 ALA A 24 -8.578 -5.387 8.920 1.00 0.19 H new ATOM 343 N LEU A 25 -8.834 -7.457 6.926 1.00 0.15 N ATOM 344 CA LEU A 25 -8.302 -7.923 5.651 1.00 0.14 C ATOM 345 C LEU A 25 -9.355 -8.709 4.876 1.00 0.14 C ATOM 346 O LEU A 25 -9.750 -8.324 3.776 1.00 0.14 O ATOM 347 CB LEU A 25 -7.066 -8.793 5.880 1.00 0.14 C ATOM 348 CG LEU A 25 -6.396 -9.354 4.625 1.00 0.12 C ATOM 349 CD1 LEU A 25 -7.024 -10.683 4.233 1.00 0.13 C ATOM 350 CD2 LEU A 25 -6.495 -8.357 3.478 1.00 0.10 C ATOM 0 H LEU A 25 -8.258 -7.691 7.734 1.00 0.15 H new ATOM 0 HA LEU A 25 -8.021 -7.050 5.062 1.00 0.14 H new ATOM 0 HB2 LEU A 25 -6.330 -8.205 6.428 1.00 0.14 H new ATOM 0 HB3 LEU A 25 -7.348 -9.628 6.521 1.00 0.14 H new ATOM 0 HG LEU A 25 -5.342 -9.524 4.844 1.00 0.12 H new ATOM 0 HD11 LEU A 25 -6.534 -11.067 3.338 1.00 0.13 H new ATOM 0 HD12 LEU A 25 -6.903 -11.397 5.048 1.00 0.13 H new ATOM 0 HD13 LEU A 25 -8.086 -10.539 4.032 1.00 0.13 H new ATOM 0 HD21 LEU A 25 -6.013 -8.772 2.593 1.00 0.10 H new ATOM 0 HD22 LEU A 25 -7.544 -8.156 3.260 1.00 0.10 H new ATOM 0 HD23 LEU A 25 -5.999 -7.428 3.759 1.00 0.10 H new ATOM 362 N LYS A 26 -9.807 -9.815 5.459 1.00 0.14 N ATOM 363 CA LYS A 26 -10.817 -10.655 4.826 1.00 0.15 C ATOM 364 C LYS A 26 -12.001 -9.818 4.349 1.00 0.17 C ATOM 365 O LYS A 26 -12.586 -10.093 3.304 1.00 0.19 O ATOM 366 CB LYS A 26 -11.300 -11.730 5.803 1.00 0.16 C ATOM 367 CG LYS A 26 -11.917 -12.939 5.119 1.00 0.28 C ATOM 368 CD LYS A 26 -13.435 -12.898 5.178 1.00 0.95 C ATOM 369 CE LYS A 26 -13.989 -14.004 6.063 1.00 1.60 C ATOM 370 NZ LYS A 26 -15.464 -14.145 5.919 1.00 2.53 N ATOM 0 H LYS A 26 -9.490 -10.150 6.369 1.00 0.14 H new ATOM 0 HA LYS A 26 -10.363 -11.136 3.960 1.00 0.15 H new ATOM 0 HB2 LYS A 26 -10.459 -12.058 6.414 1.00 0.16 H new ATOM 0 HB3 LYS A 26 -12.034 -11.292 6.479 1.00 0.16 H new ATOM 0 HG2 LYS A 26 -11.593 -12.974 4.079 1.00 0.28 H new ATOM 0 HG3 LYS A 26 -11.558 -13.851 5.596 1.00 0.28 H new ATOM 0 HD2 LYS A 26 -13.759 -11.929 5.559 1.00 0.95 H new ATOM 0 HD3 LYS A 26 -13.842 -12.998 4.172 1.00 0.95 H new ATOM 0 HE2 LYS A 26 -13.508 -14.948 5.808 1.00 1.60 H new ATOM 0 HE3 LYS A 26 -13.745 -13.792 7.104 1.00 1.60 H new ATOM 0 HZ1 LYS A 26 -15.802 -14.909 6.539 1.00 2.53 H new ATOM 0 HZ2 LYS A 26 -15.926 -13.252 6.187 1.00 2.53 H new ATOM 0 HZ3 LYS A 26 -15.696 -14.372 4.931 1.00 2.53 H new ATOM 384 N GLY A 27 -12.346 -8.793 5.125 1.00 0.17 N ATOM 385 CA GLY A 27 -13.457 -7.932 4.764 1.00 0.20 C ATOM 386 C GLY A 27 -13.147 -7.061 3.563 1.00 0.18 C ATOM 387 O GLY A 27 -13.956 -6.953 2.639 1.00 0.19 O ATOM 0 H GLY A 27 -11.876 -8.545 5.996 1.00 0.17 H new ATOM 0 HA2 GLY A 27 -14.333 -8.544 4.549 1.00 0.20 H new ATOM 0 HA3 GLY A 27 -13.712 -7.298 5.613 1.00 0.20 H new ATOM 391 N LEU A 28 -11.976 -6.435 3.574 1.00 0.16 N ATOM 392 CA LEU A 28 -11.562 -5.566 2.477 1.00 0.16 C ATOM 393 C LEU A 28 -11.447 -6.350 1.175 1.00 0.15 C ATOM 394 O LEU A 28 -11.808 -5.855 0.106 1.00 0.17 O ATOM 395 CB LEU A 28 -10.224 -4.900 2.806 1.00 0.17 C ATOM 396 CG LEU A 28 -10.253 -3.842 3.909 1.00 0.26 C ATOM 397 CD1 LEU A 28 -8.876 -3.223 4.091 1.00 0.36 C ATOM 398 CD2 LEU A 28 -11.285 -2.768 3.592 1.00 0.45 C ATOM 0 H LEU A 28 -11.296 -6.512 4.330 1.00 0.16 H new ATOM 0 HA LEU A 28 -12.322 -4.796 2.349 1.00 0.16 H new ATOM 0 HB2 LEU A 28 -9.516 -5.677 3.094 1.00 0.17 H new ATOM 0 HB3 LEU A 28 -9.838 -4.438 1.897 1.00 0.17 H new ATOM 0 HG LEU A 28 -10.538 -4.327 4.843 1.00 0.26 H new ATOM 0 HD11 LEU A 28 -8.916 -2.472 4.880 1.00 0.36 H new ATOM 0 HD12 LEU A 28 -8.161 -3.999 4.365 1.00 0.36 H new ATOM 0 HD13 LEU A 28 -8.562 -2.753 3.159 1.00 0.36 H new ATOM 0 HD21 LEU A 28 -11.292 -2.023 4.388 1.00 0.45 H new ATOM 0 HD22 LEU A 28 -11.031 -2.287 2.647 1.00 0.45 H new ATOM 0 HD23 LEU A 28 -12.272 -3.224 3.513 1.00 0.45 H new ATOM 410 N VAL A 29 -10.945 -7.577 1.270 1.00 0.14 N ATOM 411 CA VAL A 29 -10.786 -8.432 0.100 1.00 0.15 C ATOM 412 C VAL A 29 -12.117 -9.048 -0.315 1.00 0.16 C ATOM 413 O VAL A 29 -12.355 -9.296 -1.497 1.00 0.16 O ATOM 414 CB VAL A 29 -9.769 -9.559 0.363 1.00 0.18 C ATOM 415 CG1 VAL A 29 -8.440 -8.982 0.827 1.00 0.33 C ATOM 416 CG2 VAL A 29 -10.319 -10.543 1.383 1.00 0.62 C ATOM 0 H VAL A 29 -10.641 -8.001 2.146 1.00 0.14 H new ATOM 0 HA VAL A 29 -10.415 -7.800 -0.707 1.00 0.15 H new ATOM 0 HB VAL A 29 -9.597 -10.096 -0.570 1.00 0.18 H new ATOM 0 HG11 VAL A 29 -7.735 -9.793 1.008 1.00 0.33 H new ATOM 0 HG12 VAL A 29 -8.042 -8.320 0.058 1.00 0.33 H new ATOM 0 HG13 VAL A 29 -8.590 -8.419 1.748 1.00 0.33 H new ATOM 0 HG21 VAL A 29 -9.588 -11.333 1.557 1.00 0.62 H new ATOM 0 HG22 VAL A 29 -10.521 -10.022 2.319 1.00 0.62 H new ATOM 0 HG23 VAL A 29 -11.243 -10.981 1.005 1.00 0.62 H new ATOM 426 N ASP A 30 -12.979 -9.293 0.663 1.00 0.17 N ATOM 427 CA ASP A 30 -14.289 -9.879 0.401 1.00 0.19 C ATOM 428 C ASP A 30 -15.127 -8.963 -0.485 1.00 0.19 C ATOM 429 O ASP A 30 -15.566 -9.357 -1.565 1.00 0.20 O ATOM 430 CB ASP A 30 -15.022 -10.150 1.715 1.00 0.21 C ATOM 431 CG ASP A 30 -16.450 -10.615 1.496 1.00 0.23 C ATOM 432 OD1 ASP A 30 -17.309 -9.763 1.188 1.00 1.63 O ATOM 433 OD2 ASP A 30 -16.706 -11.830 1.631 1.00 1.65 O ATOM 0 H ASP A 30 -12.795 -9.095 1.647 1.00 0.17 H new ATOM 0 HA ASP A 30 -14.139 -10.823 -0.123 1.00 0.19 H new ATOM 0 HB2 ASP A 30 -14.479 -10.907 2.281 1.00 0.21 H new ATOM 0 HB3 ASP A 30 -15.027 -9.243 2.319 1.00 0.21 H new ATOM 438 N LYS A 31 -15.346 -7.737 -0.019 1.00 0.21 N ATOM 439 CA LYS A 31 -16.130 -6.764 -0.768 1.00 0.23 C ATOM 440 C LYS A 31 -15.542 -6.543 -2.158 1.00 0.21 C ATOM 441 O LYS A 31 -16.274 -6.421 -3.141 1.00 0.23 O ATOM 442 CB LYS A 31 -16.190 -5.434 -0.010 1.00 0.24 C ATOM 443 CG LYS A 31 -14.828 -4.920 0.421 1.00 0.27 C ATOM 444 CD LYS A 31 -14.433 -3.672 -0.349 1.00 0.36 C ATOM 445 CE LYS A 31 -15.178 -2.446 0.155 1.00 0.41 C ATOM 446 NZ LYS A 31 -16.135 -1.923 -0.859 1.00 1.71 N ATOM 0 H LYS A 31 -14.991 -7.395 0.874 1.00 0.21 H new ATOM 0 HA LYS A 31 -17.140 -7.158 -0.879 1.00 0.23 H new ATOM 0 HB2 LYS A 31 -16.668 -4.686 -0.642 1.00 0.24 H new ATOM 0 HB3 LYS A 31 -16.819 -5.556 0.872 1.00 0.24 H new ATOM 0 HG2 LYS A 31 -14.842 -4.700 1.489 1.00 0.27 H new ATOM 0 HG3 LYS A 31 -14.079 -5.697 0.265 1.00 0.27 H new ATOM 0 HD2 LYS A 31 -13.359 -3.510 -0.255 1.00 0.36 H new ATOM 0 HD3 LYS A 31 -14.642 -3.816 -1.409 1.00 0.36 H new ATOM 0 HE2 LYS A 31 -15.718 -2.699 1.068 1.00 0.41 H new ATOM 0 HE3 LYS A 31 -14.461 -1.667 0.414 1.00 0.41 H new ATOM 0 HZ1 LYS A 31 -16.947 -1.487 -0.377 1.00 1.71 H new ATOM 0 HZ2 LYS A 31 -15.660 -1.211 -1.450 1.00 1.71 H new ATOM 0 HZ3 LYS A 31 -16.467 -2.705 -1.459 1.00 1.71 H new ATOM 460 N LEU A 32 -14.217 -6.493 -2.234 1.00 0.19 N ATOM 461 CA LEU A 32 -13.529 -6.288 -3.503 1.00 0.19 C ATOM 462 C LEU A 32 -13.599 -7.543 -4.368 1.00 0.18 C ATOM 463 O LEU A 32 -13.513 -7.468 -5.594 1.00 0.19 O ATOM 464 CB LEU A 32 -12.069 -5.902 -3.260 1.00 0.19 C ATOM 465 CG LEU A 32 -11.834 -4.530 -2.630 1.00 0.19 C ATOM 466 CD1 LEU A 32 -10.353 -4.318 -2.351 1.00 0.20 C ATOM 467 CD2 LEU A 32 -12.371 -3.429 -3.535 1.00 0.24 C ATOM 0 H LEU A 32 -13.597 -6.592 -1.430 1.00 0.19 H new ATOM 0 HA LEU A 32 -14.028 -5.476 -4.031 1.00 0.19 H new ATOM 0 HB2 LEU A 32 -11.617 -6.657 -2.617 1.00 0.19 H new ATOM 0 HB3 LEU A 32 -11.541 -5.937 -4.213 1.00 0.19 H new ATOM 0 HG LEU A 32 -12.371 -4.489 -1.682 1.00 0.19 H new ATOM 0 HD11 LEU A 32 -10.204 -3.336 -1.902 1.00 0.20 H new ATOM 0 HD12 LEU A 32 -9.998 -5.088 -1.665 1.00 0.20 H new ATOM 0 HD13 LEU A 32 -9.794 -4.379 -3.285 1.00 0.20 H new ATOM 0 HD21 LEU A 32 -12.195 -2.459 -3.071 1.00 0.24 H new ATOM 0 HD22 LEU A 32 -11.861 -3.468 -4.498 1.00 0.24 H new ATOM 0 HD23 LEU A 32 -13.441 -3.571 -3.685 1.00 0.24 H new ATOM 479 N GLN A 33 -13.758 -8.693 -3.722 1.00 0.17 N ATOM 480 CA GLN A 33 -13.840 -9.964 -4.433 1.00 0.18 C ATOM 481 C GLN A 33 -15.227 -10.160 -5.036 1.00 0.20 C ATOM 482 O GLN A 33 -15.390 -10.882 -6.019 1.00 0.22 O ATOM 483 CB GLN A 33 -13.513 -11.123 -3.490 1.00 0.18 C ATOM 484 CG GLN A 33 -12.042 -11.507 -3.487 1.00 0.17 C ATOM 485 CD GLN A 33 -11.832 -13.008 -3.523 1.00 0.24 C ATOM 486 OE1 GLN A 33 -12.048 -13.654 -4.550 1.00 0.23 O ATOM 487 NE2 GLN A 33 -11.410 -13.574 -2.398 1.00 0.37 N ATOM 0 H GLN A 33 -13.833 -8.771 -2.708 1.00 0.17 H new ATOM 0 HA GLN A 33 -13.110 -9.947 -5.242 1.00 0.18 H new ATOM 0 HB2 GLN A 33 -13.811 -10.852 -2.477 1.00 0.18 H new ATOM 0 HB3 GLN A 33 -14.106 -11.992 -3.776 1.00 0.18 H new ATOM 0 HG2 GLN A 33 -11.550 -11.054 -4.348 1.00 0.17 H new ATOM 0 HG3 GLN A 33 -11.565 -11.098 -2.596 1.00 0.17 H new ATOM 0 HE21 GLN A 33 -11.243 -13.002 -1.570 1.00 0.37 H new ATOM 0 HE22 GLN A 33 -11.252 -14.581 -2.362 1.00 0.37 H new ATOM 496 N ALA A 34 -16.224 -9.514 -4.439 1.00 0.20 N ATOM 497 CA ALA A 34 -17.596 -9.617 -4.919 1.00 0.22 C ATOM 498 C ALA A 34 -17.904 -8.526 -5.938 1.00 0.22 C ATOM 499 O ALA A 34 -18.730 -8.713 -6.834 1.00 0.24 O ATOM 500 CB ALA A 34 -18.570 -9.542 -3.753 1.00 0.24 C ATOM 0 H ALA A 34 -16.107 -8.914 -3.622 1.00 0.20 H new ATOM 0 HA ALA A 34 -17.711 -10.582 -5.413 1.00 0.22 H new ATOM 0 HB1 ALA A 34 -19.591 -9.620 -4.126 1.00 0.24 H new ATOM 0 HB2 ALA A 34 -18.373 -10.361 -3.061 1.00 0.24 H new ATOM 0 HB3 ALA A 34 -18.445 -8.591 -3.235 1.00 0.24 H new ATOM 506 N LEU A 35 -17.237 -7.385 -5.800 1.00 0.21 N ATOM 507 CA LEU A 35 -17.440 -6.264 -6.708 1.00 0.21 C ATOM 508 C LEU A 35 -16.461 -6.325 -7.877 1.00 0.20 C ATOM 509 O LEU A 35 -16.794 -5.950 -9.001 1.00 0.22 O ATOM 510 CB LEU A 35 -17.276 -4.940 -5.961 1.00 0.21 C ATOM 511 CG LEU A 35 -15.842 -4.442 -5.784 1.00 0.21 C ATOM 512 CD1 LEU A 35 -15.408 -3.621 -6.987 1.00 0.21 C ATOM 513 CD2 LEU A 35 -15.714 -3.625 -4.505 1.00 0.23 C ATOM 0 H LEU A 35 -16.550 -7.213 -5.066 1.00 0.21 H new ATOM 0 HA LEU A 35 -18.454 -6.328 -7.103 1.00 0.21 H new ATOM 0 HB2 LEU A 35 -17.842 -4.174 -6.491 1.00 0.21 H new ATOM 0 HB3 LEU A 35 -17.727 -5.044 -4.974 1.00 0.21 H new ATOM 0 HG LEU A 35 -15.186 -5.309 -5.706 1.00 0.21 H new ATOM 0 HD11 LEU A 35 -14.384 -3.276 -6.842 1.00 0.21 H new ATOM 0 HD12 LEU A 35 -15.459 -4.236 -7.885 1.00 0.21 H new ATOM 0 HD13 LEU A 35 -16.069 -2.761 -7.098 1.00 0.21 H new ATOM 0 HD21 LEU A 35 -14.686 -3.279 -4.396 1.00 0.23 H new ATOM 0 HD22 LEU A 35 -16.383 -2.766 -4.554 1.00 0.23 H new ATOM 0 HD23 LEU A 35 -15.981 -4.245 -3.649 1.00 0.23 H new ATOM 525 N THR A 36 -15.251 -6.803 -7.603 1.00 0.19 N ATOM 526 CA THR A 36 -14.224 -6.915 -8.631 1.00 0.19 C ATOM 527 C THR A 36 -14.049 -8.362 -9.079 1.00 0.21 C ATOM 528 O THR A 36 -13.982 -8.649 -10.273 1.00 0.22 O ATOM 529 CB THR A 36 -12.869 -6.377 -8.133 1.00 0.20 C ATOM 530 OG1 THR A 36 -13.078 -5.400 -7.107 1.00 0.18 O ATOM 531 CG2 THR A 36 -12.079 -5.760 -9.277 1.00 0.23 C ATOM 0 H THR A 36 -14.959 -7.119 -6.678 1.00 0.19 H new ATOM 0 HA THR A 36 -14.557 -6.313 -9.477 1.00 0.19 H new ATOM 0 HB THR A 36 -12.297 -7.212 -7.727 1.00 0.20 H new ATOM 0 HG1 THR A 36 -13.122 -5.845 -6.235 1.00 0.18 H new ATOM 0 HG21 THR A 36 -11.126 -5.387 -8.902 1.00 0.23 H new ATOM 0 HG22 THR A 36 -11.897 -6.515 -10.042 1.00 0.23 H new ATOM 0 HG23 THR A 36 -12.647 -4.936 -9.708 1.00 0.23 H new ATOM 539 N GLY A 37 -13.979 -9.272 -8.112 1.00 0.21 N ATOM 540 CA GLY A 37 -13.814 -10.679 -8.427 1.00 0.24 C ATOM 541 C GLY A 37 -15.005 -11.251 -9.169 1.00 0.24 C ATOM 542 O GLY A 37 -14.941 -12.360 -9.698 1.00 0.26 O ATOM 0 H GLY A 37 -14.034 -9.060 -7.116 1.00 0.21 H new ATOM 0 HA2 GLY A 37 -12.916 -10.810 -9.031 1.00 0.24 H new ATOM 0 HA3 GLY A 37 -13.662 -11.239 -7.504 1.00 0.24 H new ATOM 546 N ASN A 38 -16.097 -10.494 -9.204 1.00 0.24 N ATOM 547 CA ASN A 38 -17.309 -10.933 -9.884 1.00 0.25 C ATOM 548 C ASN A 38 -17.093 -11.000 -11.393 1.00 0.23 C ATOM 549 O ASN A 38 -17.186 -12.068 -11.996 1.00 0.30 O ATOM 550 CB ASN A 38 -18.469 -9.987 -9.566 1.00 0.26 C ATOM 551 CG ASN A 38 -19.560 -10.662 -8.755 1.00 1.04 C ATOM 552 OD1 ASN A 38 -20.744 -10.540 -9.068 1.00 1.66 O ATOM 553 ND2 ASN A 38 -19.162 -11.377 -7.711 1.00 2.88 N ATOM 0 H ASN A 38 -16.167 -9.574 -8.769 1.00 0.24 H new ATOM 0 HA ASN A 38 -17.555 -11.932 -9.525 1.00 0.25 H new ATOM 0 HB2 ASN A 38 -18.091 -9.125 -9.016 1.00 0.26 H new ATOM 0 HB3 ASN A 38 -18.892 -9.610 -10.497 1.00 0.26 H new ATOM 0 HD21 ASN A 38 -19.849 -11.855 -7.128 1.00 2.88 H new ATOM 0 HD22 ASN A 38 -18.169 -11.449 -7.491 1.00 2.88 H new ATOM 560 N GLU A 39 -16.805 -9.849 -11.996 1.00 0.22 N ATOM 561 CA GLU A 39 -16.576 -9.778 -13.434 1.00 0.29 C ATOM 562 C GLU A 39 -15.087 -9.880 -13.753 1.00 0.25 C ATOM 563 O GLU A 39 -14.693 -10.518 -14.728 1.00 0.28 O ATOM 564 CB GLU A 39 -17.143 -8.474 -13.999 1.00 0.39 C ATOM 565 CG GLU A 39 -18.629 -8.539 -14.306 1.00 0.43 C ATOM 566 CD GLU A 39 -19.038 -7.588 -15.413 1.00 1.21 C ATOM 567 OE1 GLU A 39 -18.431 -7.650 -16.503 1.00 2.10 O ATOM 568 OE2 GLU A 39 -19.964 -6.779 -15.190 1.00 2.62 O ATOM 0 H GLU A 39 -16.725 -8.955 -11.511 1.00 0.22 H new ATOM 0 HA GLU A 39 -17.088 -10.620 -13.900 1.00 0.29 H new ATOM 0 HB2 GLU A 39 -16.963 -7.670 -13.285 1.00 0.39 H new ATOM 0 HB3 GLU A 39 -16.603 -8.218 -14.911 1.00 0.39 H new ATOM 0 HG2 GLU A 39 -18.893 -9.557 -14.591 1.00 0.43 H new ATOM 0 HG3 GLU A 39 -19.193 -8.304 -13.403 1.00 0.43 H new ATOM 575 N GLY A 40 -14.266 -9.245 -12.924 1.00 0.21 N ATOM 576 CA GLY A 40 -12.830 -9.274 -13.135 1.00 0.19 C ATOM 577 C GLY A 40 -12.153 -10.387 -12.359 1.00 0.19 C ATOM 578 O GLY A 40 -12.541 -11.551 -12.464 1.00 0.24 O ATOM 0 H GLY A 40 -14.569 -8.711 -12.110 1.00 0.21 H new ATOM 0 HA2 GLY A 40 -12.624 -9.399 -14.198 1.00 0.19 H new ATOM 0 HA3 GLY A 40 -12.403 -8.316 -12.838 1.00 0.19 H new ATOM 582 N ARG A 41 -11.137 -10.030 -11.580 1.00 0.15 N ATOM 583 CA ARG A 41 -10.403 -11.008 -10.787 1.00 0.15 C ATOM 584 C ARG A 41 -9.746 -10.345 -9.580 1.00 0.14 C ATOM 585 O ARG A 41 -9.442 -9.153 -9.601 1.00 0.13 O ATOM 586 CB ARG A 41 -9.409 -11.847 -11.603 1.00 0.15 C ATOM 587 CG ARG A 41 -9.009 -13.154 -10.890 1.00 0.17 C ATOM 588 CD ARG A 41 -8.233 -14.096 -11.815 1.00 0.18 C ATOM 589 NE ARG A 41 -7.856 -15.330 -11.110 1.00 0.20 N ATOM 590 CZ ARG A 41 -7.356 -16.440 -11.682 1.00 1.09 C ATOM 591 NH1 ARG A 41 -7.172 -16.529 -13.008 1.00 2.21 N ATOM 592 NH2 ARG A 41 -7.037 -17.483 -10.903 1.00 0.96 N ATOM 0 H ARG A 41 -10.804 -9.071 -11.481 1.00 0.15 H new ATOM 0 HA ARG A 41 -11.139 -11.725 -10.422 1.00 0.15 H new ATOM 0 HB2 ARG A 41 -9.850 -12.086 -12.571 1.00 0.15 H new ATOM 0 HB3 ARG A 41 -8.514 -11.256 -11.798 1.00 0.15 H new ATOM 0 HG2 ARG A 41 -8.400 -12.919 -10.017 1.00 0.17 H new ATOM 0 HG3 ARG A 41 -9.905 -13.658 -10.527 1.00 0.17 H new ATOM 0 HD2 ARG A 41 -8.842 -14.341 -12.685 1.00 0.18 H new ATOM 0 HD3 ARG A 41 -7.338 -13.595 -12.183 1.00 0.18 H new ATOM 0 HE ARG A 41 -7.985 -15.346 -10.098 1.00 0.20 H new ATOM 0 HH11 ARG A 41 -7.413 -15.742 -13.610 1.00 2.21 H new ATOM 0 HH12 ARG A 41 -6.791 -17.384 -13.414 1.00 2.21 H new ATOM 0 HH21 ARG A 41 -7.175 -17.427 -9.894 1.00 0.96 H new ATOM 0 HH22 ARG A 41 -6.657 -18.333 -11.319 1.00 0.96 H new ATOM 606 N VAL A 42 -9.531 -11.128 -8.526 1.00 0.15 N ATOM 607 CA VAL A 42 -8.909 -10.618 -7.310 1.00 0.15 C ATOM 608 C VAL A 42 -7.900 -11.614 -6.749 1.00 0.15 C ATOM 609 O VAL A 42 -8.214 -12.789 -6.557 1.00 0.25 O ATOM 610 CB VAL A 42 -9.962 -10.307 -6.230 1.00 0.16 C ATOM 611 CG1 VAL A 42 -9.290 -9.855 -4.942 1.00 0.18 C ATOM 612 CG2 VAL A 42 -10.941 -9.255 -6.727 1.00 0.18 C ATOM 0 H VAL A 42 -9.778 -12.117 -8.491 1.00 0.15 H new ATOM 0 HA VAL A 42 -8.393 -9.697 -7.580 1.00 0.15 H new ATOM 0 HB VAL A 42 -10.520 -11.219 -6.020 1.00 0.16 H new ATOM 0 HG11 VAL A 42 -10.050 -9.640 -4.191 1.00 0.18 H new ATOM 0 HG12 VAL A 42 -8.633 -10.645 -4.578 1.00 0.18 H new ATOM 0 HG13 VAL A 42 -8.704 -8.956 -5.133 1.00 0.18 H new ATOM 0 HG21 VAL A 42 -11.678 -9.048 -5.951 1.00 0.18 H new ATOM 0 HG22 VAL A 42 -10.400 -8.340 -6.968 1.00 0.18 H new ATOM 0 HG23 VAL A 42 -11.448 -9.622 -7.619 1.00 0.18 H new ATOM 622 N SER A 43 -6.687 -11.136 -6.487 1.00 0.09 N ATOM 623 CA SER A 43 -5.631 -11.984 -5.949 1.00 0.10 C ATOM 624 C SER A 43 -5.203 -11.510 -4.566 1.00 0.09 C ATOM 625 O SER A 43 -5.404 -10.351 -4.204 1.00 0.11 O ATOM 626 CB SER A 43 -4.427 -11.994 -6.894 1.00 0.12 C ATOM 627 OG SER A 43 -3.546 -13.061 -6.586 1.00 0.15 O ATOM 0 H SER A 43 -6.412 -10.166 -6.639 1.00 0.09 H new ATOM 0 HA SER A 43 -6.023 -12.997 -5.859 1.00 0.10 H new ATOM 0 HB2 SER A 43 -4.770 -12.087 -7.924 1.00 0.12 H new ATOM 0 HB3 SER A 43 -3.895 -11.046 -6.820 1.00 0.12 H new ATOM 0 HG SER A 43 -2.786 -13.047 -7.205 1.00 0.15 H new ATOM 633 N VAL A 44 -4.609 -12.414 -3.793 1.00 0.11 N ATOM 634 CA VAL A 44 -4.151 -12.089 -2.447 1.00 0.11 C ATOM 635 C VAL A 44 -2.647 -12.302 -2.313 1.00 0.11 C ATOM 636 O VAL A 44 -2.112 -13.312 -2.767 1.00 0.13 O ATOM 637 CB VAL A 44 -4.876 -12.938 -1.387 1.00 0.12 C ATOM 638 CG1 VAL A 44 -4.489 -14.403 -1.519 1.00 0.14 C ATOM 639 CG2 VAL A 44 -4.568 -12.421 0.011 1.00 0.14 C ATOM 0 H VAL A 44 -4.434 -13.378 -4.076 1.00 0.11 H new ATOM 0 HA VAL A 44 -4.383 -11.037 -2.278 1.00 0.11 H new ATOM 0 HB VAL A 44 -5.950 -12.855 -1.553 1.00 0.12 H new ATOM 0 HG11 VAL A 44 -5.011 -14.987 -0.761 1.00 0.14 H new ATOM 0 HG12 VAL A 44 -4.765 -14.764 -2.510 1.00 0.14 H new ATOM 0 HG13 VAL A 44 -3.413 -14.509 -1.381 1.00 0.14 H new ATOM 0 HG21 VAL A 44 -5.089 -13.033 0.748 1.00 0.14 H new ATOM 0 HG22 VAL A 44 -3.494 -12.473 0.190 1.00 0.14 H new ATOM 0 HG23 VAL A 44 -4.901 -11.387 0.098 1.00 0.14 H new ATOM 649 N GLU A 45 -1.973 -11.343 -1.684 1.00 0.12 N ATOM 650 CA GLU A 45 -0.531 -11.428 -1.491 1.00 0.14 C ATOM 651 C GLU A 45 -0.128 -10.835 -0.143 1.00 0.14 C ATOM 652 O GLU A 45 -0.794 -9.944 0.380 1.00 0.14 O ATOM 653 CB GLU A 45 0.200 -10.698 -2.619 1.00 0.16 C ATOM 654 CG GLU A 45 -0.287 -11.078 -4.007 1.00 0.18 C ATOM 655 CD GLU A 45 0.271 -10.177 -5.090 1.00 0.25 C ATOM 656 OE1 GLU A 45 0.289 -8.946 -4.887 1.00 1.26 O ATOM 657 OE2 GLU A 45 0.693 -10.704 -6.141 1.00 1.14 O ATOM 0 H GLU A 45 -2.402 -10.501 -1.301 1.00 0.12 H new ATOM 0 HA GLU A 45 -0.249 -12.481 -1.506 1.00 0.14 H new ATOM 0 HB2 GLU A 45 0.079 -9.623 -2.483 1.00 0.16 H new ATOM 0 HB3 GLU A 45 1.267 -10.911 -2.547 1.00 0.16 H new ATOM 0 HG2 GLU A 45 -0.004 -12.110 -4.217 1.00 0.18 H new ATOM 0 HG3 GLU A 45 -1.376 -11.035 -4.030 1.00 0.18 H new ATOM 664 N ASN A 46 0.968 -11.341 0.414 1.00 0.16 N ATOM 665 CA ASN A 46 1.460 -10.863 1.702 1.00 0.18 C ATOM 666 C ASN A 46 2.664 -9.945 1.518 1.00 0.21 C ATOM 667 O ASN A 46 3.574 -10.246 0.747 1.00 0.26 O ATOM 668 CB ASN A 46 1.838 -12.045 2.597 1.00 0.21 C ATOM 669 CG ASN A 46 1.648 -11.738 4.070 1.00 0.22 C ATOM 670 OD1 ASN A 46 1.975 -10.647 4.536 1.00 0.42 O ATOM 671 ND2 ASN A 46 1.120 -12.704 4.812 1.00 0.43 N ATOM 0 H ASN A 46 1.532 -12.081 -0.005 1.00 0.16 H new ATOM 0 HA ASN A 46 0.662 -10.294 2.179 1.00 0.18 H new ATOM 0 HB2 ASN A 46 1.232 -12.910 2.328 1.00 0.21 H new ATOM 0 HB3 ASN A 46 2.878 -12.316 2.416 1.00 0.21 H new ATOM 0 HD21 ASN A 46 0.971 -12.557 5.810 1.00 0.43 H new ATOM 0 HD22 ASN A 46 0.863 -13.593 4.384 1.00 0.43 H new ATOM 678 N ILE A 47 2.661 -8.823 2.231 1.00 0.20 N ATOM 679 CA ILE A 47 3.754 -7.863 2.148 1.00 0.24 C ATOM 680 C ILE A 47 5.100 -8.540 2.375 1.00 0.30 C ATOM 681 O ILE A 47 6.101 -8.182 1.754 1.00 0.37 O ATOM 682 CB ILE A 47 3.585 -6.727 3.174 1.00 0.21 C ATOM 683 CG1 ILE A 47 2.356 -5.881 2.832 1.00 0.32 C ATOM 684 CG2 ILE A 47 4.835 -5.863 3.219 1.00 0.20 C ATOM 685 CD1 ILE A 47 2.217 -4.644 3.692 1.00 0.20 C ATOM 0 H ILE A 47 1.914 -8.557 2.872 1.00 0.20 H new ATOM 0 HA ILE A 47 3.727 -7.442 1.143 1.00 0.24 H new ATOM 0 HB ILE A 47 3.437 -7.167 4.160 1.00 0.21 H new ATOM 0 HG12 ILE A 47 2.410 -5.582 1.785 1.00 0.32 H new ATOM 0 HG13 ILE A 47 1.461 -6.493 2.943 1.00 0.32 H new ATOM 0 HG21 ILE A 47 4.700 -5.065 3.949 1.00 0.20 H new ATOM 0 HG22 ILE A 47 5.690 -6.475 3.505 1.00 0.20 H new ATOM 0 HG23 ILE A 47 5.013 -5.429 2.235 1.00 0.20 H new ATOM 0 HD11 ILE A 47 1.325 -4.092 3.395 1.00 0.20 H new ATOM 0 HD12 ILE A 47 2.131 -4.936 4.739 1.00 0.20 H new ATOM 0 HD13 ILE A 47 3.095 -4.011 3.563 1.00 0.20 H new ATOM 697 N LYS A 48 5.119 -9.525 3.267 1.00 0.32 N ATOM 698 CA LYS A 48 6.341 -10.257 3.574 1.00 0.39 C ATOM 699 C LYS A 48 6.737 -11.167 2.417 1.00 0.34 C ATOM 700 O LYS A 48 7.921 -11.401 2.176 1.00 0.36 O ATOM 701 CB LYS A 48 6.158 -11.085 4.849 1.00 0.45 C ATOM 702 CG LYS A 48 4.909 -11.950 4.838 1.00 0.57 C ATOM 703 CD LYS A 48 4.108 -11.789 6.118 1.00 0.62 C ATOM 704 CE LYS A 48 4.899 -12.252 7.333 1.00 1.46 C ATOM 705 NZ LYS A 48 4.050 -12.323 8.554 1.00 2.06 N ATOM 0 H LYS A 48 4.300 -9.835 3.790 1.00 0.32 H new ATOM 0 HA LYS A 48 7.139 -9.531 3.731 1.00 0.39 H new ATOM 0 HB2 LYS A 48 7.031 -11.723 4.986 1.00 0.45 H new ATOM 0 HB3 LYS A 48 6.117 -10.413 5.706 1.00 0.45 H new ATOM 0 HG2 LYS A 48 4.288 -11.683 3.983 1.00 0.57 H new ATOM 0 HG3 LYS A 48 5.191 -12.996 4.713 1.00 0.57 H new ATOM 0 HD2 LYS A 48 3.826 -10.744 6.243 1.00 0.62 H new ATOM 0 HD3 LYS A 48 3.184 -12.362 6.044 1.00 0.62 H new ATOM 0 HE2 LYS A 48 5.330 -13.233 7.133 1.00 1.46 H new ATOM 0 HE3 LYS A 48 5.730 -11.568 7.508 1.00 1.46 H new ATOM 0 HZ1 LYS A 48 4.626 -12.642 9.359 1.00 2.06 H new ATOM 0 HZ2 LYS A 48 3.659 -11.382 8.760 1.00 2.06 H new ATOM 0 HZ3 LYS A 48 3.272 -12.995 8.397 1.00 2.06 H new ATOM 719 N GLN A 49 5.738 -11.677 1.703 1.00 0.31 N ATOM 720 CA GLN A 49 5.983 -12.562 0.570 1.00 0.29 C ATOM 721 C GLN A 49 5.815 -11.815 -0.748 1.00 0.28 C ATOM 722 O GLN A 49 5.612 -12.426 -1.798 1.00 0.29 O ATOM 723 CB GLN A 49 5.032 -13.760 0.616 1.00 0.35 C ATOM 724 CG GLN A 49 3.641 -13.452 0.090 1.00 1.60 C ATOM 725 CD GLN A 49 2.631 -14.524 0.450 1.00 2.25 C ATOM 726 OE1 GLN A 49 2.566 -14.870 1.729 1.00 3.61 O flip ATOM 727 NE2 GLN A 49 1.917 -15.036 -0.413 1.00 1.72 N flip ATOM 0 H GLN A 49 4.752 -11.493 1.889 1.00 0.31 H new ATOM 0 HA GLN A 49 7.010 -12.921 0.636 1.00 0.29 H new ATOM 0 HB2 GLN A 49 5.460 -14.575 0.033 1.00 0.35 H new ATOM 0 HB3 GLN A 49 4.953 -14.111 1.645 1.00 0.35 H new ATOM 0 HG2 GLN A 49 3.308 -12.495 0.492 1.00 1.60 H new ATOM 0 HG3 GLN A 49 3.682 -13.346 -0.994 1.00 1.60 H new ATOM 0 HE21 GLN A 49 2.000 -14.740 -1.385 1.00 1.72 H new ATOM 0 HE22 GLN A 49 1.242 -15.756 -0.155 1.00 1.72 H new ATOM 736 N LEU A 50 5.902 -10.491 -0.688 1.00 0.31 N ATOM 737 CA LEU A 50 5.759 -9.660 -1.879 1.00 0.34 C ATOM 738 C LEU A 50 6.638 -10.178 -3.013 1.00 0.33 C ATOM 739 O LEU A 50 6.316 -10.006 -4.189 1.00 0.34 O ATOM 740 CB LEU A 50 6.122 -8.208 -1.558 1.00 0.42 C ATOM 741 CG LEU A 50 5.346 -7.138 -2.324 1.00 0.35 C ATOM 742 CD1 LEU A 50 5.796 -7.087 -3.776 1.00 1.12 C ATOM 743 CD2 LEU A 50 3.849 -7.398 -2.237 1.00 0.86 C ATOM 0 H LEU A 50 6.071 -9.970 0.172 1.00 0.31 H new ATOM 0 HA LEU A 50 4.719 -9.705 -2.201 1.00 0.34 H new ATOM 0 HB2 LEU A 50 5.971 -8.044 -0.491 1.00 0.42 H new ATOM 0 HB3 LEU A 50 7.185 -8.068 -1.755 1.00 0.42 H new ATOM 0 HG LEU A 50 5.554 -6.171 -1.867 1.00 0.35 H new ATOM 0 HD11 LEU A 50 5.232 -6.319 -4.305 1.00 1.12 H new ATOM 0 HD12 LEU A 50 6.859 -6.851 -3.819 1.00 1.12 H new ATOM 0 HD13 LEU A 50 5.620 -8.055 -4.246 1.00 1.12 H new ATOM 0 HD21 LEU A 50 3.313 -6.626 -2.788 1.00 0.86 H new ATOM 0 HD22 LEU A 50 3.624 -8.374 -2.667 1.00 0.86 H new ATOM 0 HD23 LEU A 50 3.537 -7.381 -1.193 1.00 0.86 H new ATOM 755 N LEU A 51 7.747 -10.814 -2.652 1.00 0.35 N ATOM 756 CA LEU A 51 8.671 -11.360 -3.639 1.00 0.39 C ATOM 757 C LEU A 51 7.956 -12.319 -4.585 1.00 0.36 C ATOM 758 O LEU A 51 8.288 -12.404 -5.765 1.00 0.37 O ATOM 759 CB LEU A 51 9.827 -12.081 -2.941 1.00 0.47 C ATOM 760 CG LEU A 51 10.626 -11.250 -1.936 1.00 1.25 C ATOM 761 CD1 LEU A 51 10.595 -9.778 -2.315 1.00 0.71 C ATOM 762 CD2 LEU A 51 10.085 -11.451 -0.528 1.00 2.67 C ATOM 0 H LEU A 51 8.028 -10.964 -1.683 1.00 0.35 H new ATOM 0 HA LEU A 51 9.068 -10.531 -4.225 1.00 0.39 H new ATOM 0 HB2 LEU A 51 9.426 -12.953 -2.424 1.00 0.47 H new ATOM 0 HB3 LEU A 51 10.513 -12.450 -3.704 1.00 0.47 H new ATOM 0 HG LEU A 51 11.662 -11.588 -1.958 1.00 1.25 H new ATOM 0 HD11 LEU A 51 11.169 -9.203 -1.588 1.00 0.71 H new ATOM 0 HD12 LEU A 51 11.030 -9.648 -3.306 1.00 0.71 H new ATOM 0 HD13 LEU A 51 9.563 -9.426 -2.323 1.00 0.71 H new ATOM 0 HD21 LEU A 51 10.666 -10.852 0.174 1.00 2.67 H new ATOM 0 HD22 LEU A 51 9.041 -11.141 -0.492 1.00 2.67 H new ATOM 0 HD23 LEU A 51 10.161 -12.504 -0.256 1.00 2.67 H new ATOM 774 N GLN A 52 6.971 -13.037 -4.055 1.00 0.36 N ATOM 775 CA GLN A 52 6.207 -13.989 -4.853 1.00 0.40 C ATOM 776 C GLN A 52 5.085 -13.288 -5.610 1.00 0.35 C ATOM 777 O GLN A 52 4.490 -13.856 -6.526 1.00 0.41 O ATOM 778 CB GLN A 52 5.626 -15.086 -3.958 1.00 0.49 C ATOM 779 CG GLN A 52 6.621 -15.642 -2.952 1.00 0.56 C ATOM 780 CD GLN A 52 7.923 -16.077 -3.598 1.00 0.72 C ATOM 781 OE1 GLN A 52 7.924 -16.847 -4.559 1.00 1.12 O ATOM 782 NE2 GLN A 52 9.037 -15.587 -3.071 1.00 0.87 N ATOM 0 H GLN A 52 6.684 -12.978 -3.078 1.00 0.36 H new ATOM 0 HA GLN A 52 6.883 -14.441 -5.579 1.00 0.40 H new ATOM 0 HB2 GLN A 52 4.765 -14.688 -3.422 1.00 0.49 H new ATOM 0 HB3 GLN A 52 5.263 -15.900 -4.585 1.00 0.49 H new ATOM 0 HG2 GLN A 52 6.830 -14.884 -2.197 1.00 0.56 H new ATOM 0 HG3 GLN A 52 6.174 -16.492 -2.436 1.00 0.56 H new ATOM 0 HE21 GLN A 52 8.988 -14.952 -2.275 1.00 0.87 H new ATOM 0 HE22 GLN A 52 9.943 -15.845 -3.462 1.00 0.87 H new ATOM 791 N SER A 53 4.799 -12.049 -5.223 1.00 0.28 N ATOM 792 CA SER A 53 3.745 -11.270 -5.863 1.00 0.30 C ATOM 793 C SER A 53 4.131 -10.905 -7.292 1.00 0.30 C ATOM 794 O SER A 53 3.324 -10.360 -8.045 1.00 0.33 O ATOM 795 CB SER A 53 3.461 -10.000 -5.059 1.00 0.33 C ATOM 796 OG SER A 53 3.140 -10.309 -3.714 1.00 0.93 O ATOM 0 H SER A 53 5.283 -11.562 -4.468 1.00 0.28 H new ATOM 0 HA SER A 53 2.843 -11.881 -5.894 1.00 0.30 H new ATOM 0 HB2 SER A 53 4.332 -9.346 -5.087 1.00 0.33 H new ATOM 0 HB3 SER A 53 2.637 -9.453 -5.516 1.00 0.33 H new ATOM 0 HG SER A 53 3.042 -11.279 -3.616 1.00 0.93 H new ATOM 802 N ALA A 54 5.372 -11.212 -7.660 1.00 0.32 N ATOM 803 CA ALA A 54 5.865 -10.919 -9.001 1.00 0.36 C ATOM 804 C ALA A 54 5.259 -11.869 -10.028 1.00 0.30 C ATOM 805 O ALA A 54 5.969 -12.661 -10.650 1.00 0.37 O ATOM 806 CB ALA A 54 7.384 -11.002 -9.033 1.00 0.46 C ATOM 0 H ALA A 54 6.053 -11.663 -7.049 1.00 0.32 H new ATOM 0 HA ALA A 54 5.562 -9.905 -9.261 1.00 0.36 H new ATOM 0 HB1 ALA A 54 7.739 -10.781 -10.040 1.00 0.46 H new ATOM 0 HB2 ALA A 54 7.803 -10.278 -8.334 1.00 0.46 H new ATOM 0 HB3 ALA A 54 7.700 -12.006 -8.749 1.00 0.46 H new ATOM 812 N HIS A 55 3.945 -11.785 -10.203 1.00 0.23 N ATOM 813 CA HIS A 55 3.244 -12.637 -11.158 1.00 0.23 C ATOM 814 C HIS A 55 3.679 -12.326 -12.586 1.00 0.25 C ATOM 815 O HIS A 55 4.346 -13.132 -13.233 1.00 0.24 O ATOM 816 CB HIS A 55 1.731 -12.455 -11.020 1.00 0.28 C ATOM 817 CG HIS A 55 1.156 -13.118 -9.807 1.00 0.26 C ATOM 818 ND1 HIS A 55 0.105 -14.009 -9.864 1.00 0.29 N ATOM 819 CD2 HIS A 55 1.492 -13.018 -8.499 1.00 0.34 C ATOM 820 CE1 HIS A 55 -0.182 -14.426 -8.644 1.00 0.30 C ATOM 821 NE2 HIS A 55 0.646 -13.840 -7.798 1.00 0.34 N ATOM 0 H HIS A 55 3.343 -11.136 -9.696 1.00 0.23 H new ATOM 0 HA HIS A 55 3.499 -13.674 -10.939 1.00 0.23 H new ATOM 0 HB2 HIS A 55 1.503 -11.390 -10.984 1.00 0.28 H new ATOM 0 HB3 HIS A 55 1.243 -12.855 -11.909 1.00 0.28 H new ATOM 0 HD2 HIS A 55 2.279 -12.405 -8.085 1.00 0.34 H new ATOM 0 HE1 HIS A 55 -0.961 -15.127 -8.383 1.00 0.30 H new ATOM 0 HE2 HIS A 55 0.655 -13.976 -6.787 1.00 0.34 H new ATOM 829 N LYS A 56 3.293 -11.150 -13.073 1.00 0.32 N ATOM 830 CA LYS A 56 3.643 -10.731 -14.426 1.00 0.36 C ATOM 831 C LYS A 56 3.632 -9.211 -14.543 1.00 0.29 C ATOM 832 O LYS A 56 3.439 -8.505 -13.554 1.00 0.31 O ATOM 833 CB LYS A 56 2.669 -11.339 -15.438 1.00 0.41 C ATOM 834 CG LYS A 56 1.208 -11.111 -15.087 1.00 1.36 C ATOM 835 CD LYS A 56 0.438 -12.420 -15.039 1.00 0.94 C ATOM 836 CE LYS A 56 -1.040 -12.186 -14.766 1.00 0.88 C ATOM 837 NZ LYS A 56 -1.727 -11.555 -15.927 1.00 2.16 N ATOM 0 H LYS A 56 2.738 -10.471 -12.551 1.00 0.32 H new ATOM 0 HA LYS A 56 4.650 -11.087 -14.642 1.00 0.36 H new ATOM 0 HB2 LYS A 56 2.868 -10.915 -16.422 1.00 0.41 H new ATOM 0 HB3 LYS A 56 2.854 -12.411 -15.510 1.00 0.41 H new ATOM 0 HG2 LYS A 56 1.138 -10.611 -14.121 1.00 1.36 H new ATOM 0 HG3 LYS A 56 0.755 -10.447 -15.823 1.00 1.36 H new ATOM 0 HD2 LYS A 56 0.555 -12.948 -15.986 1.00 0.94 H new ATOM 0 HD3 LYS A 56 0.856 -13.061 -14.263 1.00 0.94 H new ATOM 0 HE2 LYS A 56 -1.521 -13.136 -14.532 1.00 0.88 H new ATOM 0 HE3 LYS A 56 -1.151 -11.549 -13.889 1.00 0.88 H new ATOM 0 HZ1 LYS A 56 -2.657 -11.198 -15.628 1.00 2.16 H new ATOM 0 HZ2 LYS A 56 -1.151 -10.766 -16.284 1.00 2.16 H new ATOM 0 HZ3 LYS A 56 -1.853 -12.260 -16.681 1.00 2.16 H new ATOM 851 N GLU A 57 3.840 -8.714 -15.759 1.00 0.35 N ATOM 852 CA GLU A 57 3.855 -7.277 -16.004 1.00 0.30 C ATOM 853 C GLU A 57 2.480 -6.788 -16.453 1.00 0.21 C ATOM 854 O GLU A 57 1.835 -7.408 -17.298 1.00 0.27 O ATOM 855 CB GLU A 57 4.903 -6.927 -17.062 1.00 0.38 C ATOM 856 CG GLU A 57 4.828 -5.487 -17.541 1.00 0.42 C ATOM 857 CD GLU A 57 6.021 -5.093 -18.389 1.00 0.59 C ATOM 858 OE1 GLU A 57 7.157 -5.459 -18.025 1.00 1.64 O ATOM 859 OE2 GLU A 57 5.817 -4.415 -19.419 1.00 2.01 O ATOM 0 H GLU A 57 4.000 -9.285 -16.589 1.00 0.35 H new ATOM 0 HA GLU A 57 4.113 -6.778 -15.070 1.00 0.30 H new ATOM 0 HB2 GLU A 57 5.896 -7.114 -16.653 1.00 0.38 H new ATOM 0 HB3 GLU A 57 4.780 -7.592 -17.917 1.00 0.38 H new ATOM 0 HG2 GLU A 57 3.914 -5.347 -18.118 1.00 0.42 H new ATOM 0 HG3 GLU A 57 4.765 -4.824 -16.678 1.00 0.42 H new ATOM 866 N SER A 58 2.039 -5.673 -15.881 1.00 0.20 N ATOM 867 CA SER A 58 0.740 -5.103 -16.218 1.00 0.16 C ATOM 868 C SER A 58 -0.339 -6.182 -16.234 1.00 0.16 C ATOM 869 O SER A 58 -0.700 -6.700 -17.290 1.00 0.28 O ATOM 870 CB SER A 58 0.802 -4.409 -17.579 1.00 0.21 C ATOM 871 OG SER A 58 1.607 -5.140 -18.489 1.00 1.12 O ATOM 0 H SER A 58 2.562 -5.146 -15.182 1.00 0.20 H new ATOM 0 HA SER A 58 0.484 -4.368 -15.454 1.00 0.16 H new ATOM 0 HB2 SER A 58 -0.205 -4.304 -17.983 1.00 0.21 H new ATOM 0 HB3 SER A 58 1.204 -3.403 -17.460 1.00 0.21 H new ATOM 0 HG SER A 58 1.354 -6.086 -18.462 1.00 1.12 H new ATOM 877 N SER A 59 -0.852 -6.514 -15.053 1.00 0.14 N ATOM 878 CA SER A 59 -1.886 -7.534 -14.928 1.00 0.20 C ATOM 879 C SER A 59 -3.018 -7.051 -14.025 1.00 0.17 C ATOM 880 O SER A 59 -4.189 -7.328 -14.277 1.00 0.21 O ATOM 881 CB SER A 59 -1.292 -8.829 -14.374 1.00 0.29 C ATOM 882 OG SER A 59 -0.757 -8.632 -13.076 1.00 0.32 O ATOM 0 H SER A 59 -0.568 -6.091 -14.169 1.00 0.14 H new ATOM 0 HA SER A 59 -2.293 -7.727 -15.920 1.00 0.20 H new ATOM 0 HB2 SER A 59 -2.062 -9.600 -14.340 1.00 0.29 H new ATOM 0 HB3 SER A 59 -0.510 -9.189 -15.042 1.00 0.29 H new ATOM 0 HG SER A 59 -1.488 -8.568 -12.427 1.00 0.32 H new ATOM 888 N PHE A 60 -2.656 -6.330 -12.969 1.00 0.13 N ATOM 889 CA PHE A 60 -3.638 -5.810 -12.026 1.00 0.11 C ATOM 890 C PHE A 60 -3.889 -4.324 -12.266 1.00 0.11 C ATOM 891 O PHE A 60 -2.964 -3.512 -12.225 1.00 0.11 O ATOM 892 CB PHE A 60 -3.165 -6.032 -10.588 1.00 0.13 C ATOM 893 CG PHE A 60 -2.962 -7.480 -10.241 1.00 0.11 C ATOM 894 CD1 PHE A 60 -4.036 -8.279 -9.890 1.00 1.39 C ATOM 895 CD2 PHE A 60 -1.694 -8.040 -10.268 1.00 1.42 C ATOM 896 CE1 PHE A 60 -3.853 -9.611 -9.571 1.00 1.37 C ATOM 897 CE2 PHE A 60 -1.506 -9.372 -9.950 1.00 1.45 C ATOM 898 CZ PHE A 60 -2.586 -10.158 -9.600 1.00 0.13 C ATOM 0 H PHE A 60 -1.690 -6.093 -12.745 1.00 0.13 H new ATOM 0 HA PHE A 60 -4.573 -6.349 -12.181 1.00 0.11 H new ATOM 0 HB2 PHE A 60 -2.229 -5.495 -10.435 1.00 0.13 H new ATOM 0 HB3 PHE A 60 -3.895 -5.601 -9.903 1.00 0.13 H new ATOM 0 HD1 PHE A 60 -5.030 -7.856 -9.865 1.00 1.39 H new ATOM 0 HD2 PHE A 60 -0.845 -7.430 -10.540 1.00 1.42 H new ATOM 0 HE1 PHE A 60 -4.700 -10.223 -9.299 1.00 1.37 H new ATOM 0 HE2 PHE A 60 -0.514 -9.798 -9.975 1.00 1.45 H new ATOM 0 HZ PHE A 60 -2.440 -11.198 -9.350 1.00 0.13 H new ATOM 908 N ASP A 61 -5.146 -3.975 -12.515 1.00 0.12 N ATOM 909 CA ASP A 61 -5.521 -2.586 -12.762 1.00 0.12 C ATOM 910 C ASP A 61 -5.461 -1.772 -11.473 1.00 0.13 C ATOM 911 O ASP A 61 -5.371 -0.543 -11.510 1.00 0.14 O ATOM 912 CB ASP A 61 -6.926 -2.514 -13.362 1.00 0.12 C ATOM 913 CG ASP A 61 -7.130 -3.517 -14.480 1.00 0.10 C ATOM 914 OD1 ASP A 61 -7.164 -4.731 -14.189 1.00 1.72 O ATOM 915 OD2 ASP A 61 -7.257 -3.088 -15.647 1.00 1.65 O ATOM 0 H ASP A 61 -5.923 -4.634 -12.551 1.00 0.12 H new ATOM 0 HA ASP A 61 -4.810 -2.163 -13.472 1.00 0.12 H new ATOM 0 HB2 ASP A 61 -7.662 -2.693 -12.578 1.00 0.12 H new ATOM 0 HB3 ASP A 61 -7.104 -1.508 -13.743 1.00 0.12 H new ATOM 920 N ILE A 62 -5.515 -2.462 -10.340 1.00 0.12 N ATOM 921 CA ILE A 62 -5.466 -1.801 -9.042 1.00 0.14 C ATOM 922 C ILE A 62 -4.697 -2.639 -8.026 1.00 0.11 C ATOM 923 O ILE A 62 -4.763 -3.868 -8.044 1.00 0.11 O ATOM 924 CB ILE A 62 -6.881 -1.526 -8.496 1.00 0.19 C ATOM 925 CG1 ILE A 62 -7.650 -0.613 -9.454 1.00 0.23 C ATOM 926 CG2 ILE A 62 -6.802 -0.905 -7.110 1.00 0.19 C ATOM 927 CD1 ILE A 62 -8.999 -0.181 -8.922 1.00 0.35 C ATOM 0 H ILE A 62 -5.593 -3.478 -10.294 1.00 0.12 H new ATOM 0 HA ILE A 62 -4.951 -0.852 -9.191 1.00 0.14 H new ATOM 0 HB ILE A 62 -7.416 -2.472 -8.417 1.00 0.19 H new ATOM 0 HG12 ILE A 62 -7.049 0.273 -9.661 1.00 0.23 H new ATOM 0 HG13 ILE A 62 -7.791 -1.131 -10.403 1.00 0.23 H new ATOM 0 HG21 ILE A 62 -7.809 -0.717 -6.738 1.00 0.19 H new ATOM 0 HG22 ILE A 62 -6.287 -1.588 -6.434 1.00 0.19 H new ATOM 0 HG23 ILE A 62 -6.253 0.035 -7.163 1.00 0.19 H new ATOM 0 HD11 ILE A 62 -9.489 0.464 -9.652 1.00 0.35 H new ATOM 0 HD12 ILE A 62 -9.618 -1.060 -8.742 1.00 0.35 H new ATOM 0 HD13 ILE A 62 -8.864 0.365 -7.988 1.00 0.35 H new ATOM 939 N ILE A 63 -3.968 -1.966 -7.143 1.00 0.11 N ATOM 940 CA ILE A 63 -3.188 -2.649 -6.117 1.00 0.09 C ATOM 941 C ILE A 63 -3.359 -1.979 -4.759 1.00 0.10 C ATOM 942 O ILE A 63 -3.224 -0.761 -4.633 1.00 0.13 O ATOM 943 CB ILE A 63 -1.690 -2.680 -6.477 1.00 0.11 C ATOM 944 CG1 ILE A 63 -1.463 -3.517 -7.736 1.00 0.12 C ATOM 945 CG2 ILE A 63 -0.878 -3.230 -5.313 1.00 0.11 C ATOM 946 CD1 ILE A 63 -1.559 -5.008 -7.497 1.00 0.15 C ATOM 0 H ILE A 63 -3.901 -0.949 -7.117 1.00 0.11 H new ATOM 0 HA ILE A 63 -3.562 -3.671 -6.064 1.00 0.09 H new ATOM 0 HB ILE A 63 -1.357 -1.661 -6.677 1.00 0.11 H new ATOM 0 HG12 ILE A 63 -2.196 -3.230 -8.490 1.00 0.12 H new ATOM 0 HG13 ILE A 63 -0.479 -3.285 -8.144 1.00 0.12 H new ATOM 0 HG21 ILE A 63 0.178 -3.246 -5.582 1.00 0.11 H new ATOM 0 HG22 ILE A 63 -1.020 -2.596 -4.438 1.00 0.11 H new ATOM 0 HG23 ILE A 63 -1.210 -4.243 -5.084 1.00 0.11 H new ATOM 0 HD11 ILE A 63 -1.387 -5.538 -8.434 1.00 0.15 H new ATOM 0 HD12 ILE A 63 -0.808 -5.309 -6.767 1.00 0.15 H new ATOM 0 HD13 ILE A 63 -2.551 -5.253 -7.118 1.00 0.15 H new ATOM 958 N LEU A 64 -3.659 -2.782 -3.743 1.00 0.10 N ATOM 959 CA LEU A 64 -3.847 -2.268 -2.390 1.00 0.11 C ATOM 960 C LEU A 64 -2.756 -2.780 -1.457 1.00 0.11 C ATOM 961 O LEU A 64 -2.396 -3.956 -1.493 1.00 0.11 O ATOM 962 CB LEU A 64 -5.223 -2.673 -1.858 1.00 0.12 C ATOM 963 CG LEU A 64 -6.424 -2.213 -2.683 1.00 0.14 C ATOM 964 CD1 LEU A 64 -6.227 -0.784 -3.165 1.00 0.15 C ATOM 965 CD2 LEU A 64 -6.651 -3.148 -3.863 1.00 0.18 C ATOM 0 H LEU A 64 -3.777 -3.791 -3.831 1.00 0.10 H new ATOM 0 HA LEU A 64 -3.784 -1.180 -2.428 1.00 0.11 H new ATOM 0 HB2 LEU A 64 -5.255 -3.760 -1.782 1.00 0.12 H new ATOM 0 HB3 LEU A 64 -5.330 -2.279 -0.847 1.00 0.12 H new ATOM 0 HG LEU A 64 -7.308 -2.241 -2.046 1.00 0.14 H new ATOM 0 HD11 LEU A 64 -7.093 -0.475 -3.751 1.00 0.15 H new ATOM 0 HD12 LEU A 64 -6.115 -0.122 -2.306 1.00 0.15 H new ATOM 0 HD13 LEU A 64 -5.332 -0.729 -3.784 1.00 0.15 H new ATOM 0 HD21 LEU A 64 -7.510 -2.805 -4.439 1.00 0.18 H new ATOM 0 HD22 LEU A 64 -5.766 -3.152 -4.499 1.00 0.18 H new ATOM 0 HD23 LEU A 64 -6.840 -4.157 -3.497 1.00 0.18 H new ATOM 977 N SER A 65 -2.235 -1.888 -0.619 1.00 0.11 N ATOM 978 CA SER A 65 -1.183 -2.250 0.325 1.00 0.12 C ATOM 979 C SER A 65 -1.539 -1.790 1.735 1.00 0.13 C ATOM 980 O SER A 65 -1.386 -0.617 2.076 1.00 0.14 O ATOM 981 CB SER A 65 0.149 -1.634 -0.104 1.00 0.13 C ATOM 982 OG SER A 65 0.131 -1.282 -1.478 1.00 0.14 O ATOM 0 H SER A 65 -2.524 -0.911 -0.575 1.00 0.11 H new ATOM 0 HA SER A 65 -1.088 -3.336 0.329 1.00 0.12 H new ATOM 0 HB2 SER A 65 0.355 -0.749 0.498 1.00 0.13 H new ATOM 0 HB3 SER A 65 0.957 -2.341 0.083 1.00 0.13 H new ATOM 0 HG SER A 65 -0.518 -0.562 -1.623 1.00 0.14 H new ATOM 988 N GLY A 66 -2.014 -2.724 2.553 1.00 0.13 N ATOM 989 CA GLY A 66 -2.385 -2.397 3.918 1.00 0.14 C ATOM 990 C GLY A 66 -3.309 -1.198 3.996 1.00 0.15 C ATOM 991 O GLY A 66 -2.893 -0.108 4.389 1.00 0.19 O ATOM 0 H GLY A 66 -2.149 -3.702 2.295 1.00 0.13 H new ATOM 0 HA2 GLY A 66 -2.873 -3.258 4.375 1.00 0.14 H new ATOM 0 HA3 GLY A 66 -1.484 -2.196 4.498 1.00 0.14 H new ATOM 995 N LEU A 67 -4.568 -1.399 3.620 1.00 0.14 N ATOM 996 CA LEU A 67 -5.556 -0.325 3.648 1.00 0.16 C ATOM 997 C LEU A 67 -6.527 -0.509 4.809 1.00 0.22 C ATOM 998 O LEU A 67 -7.738 -0.612 4.610 1.00 0.57 O ATOM 999 CB LEU A 67 -6.323 -0.279 2.326 1.00 0.13 C ATOM 1000 CG LEU A 67 -5.670 0.518 1.197 1.00 0.13 C ATOM 1001 CD1 LEU A 67 -5.732 2.009 1.491 1.00 0.16 C ATOM 1002 CD2 LEU A 67 -4.230 0.072 0.994 1.00 0.21 C ATOM 0 H LEU A 67 -4.929 -2.295 3.292 1.00 0.14 H new ATOM 0 HA LEU A 67 -5.029 0.619 3.788 1.00 0.16 H new ATOM 0 HB2 LEU A 67 -6.474 -1.302 1.981 1.00 0.13 H new ATOM 0 HB3 LEU A 67 -7.310 0.142 2.517 1.00 0.13 H new ATOM 0 HG LEU A 67 -6.222 0.327 0.277 1.00 0.13 H new ATOM 0 HD11 LEU A 67 -5.262 2.560 0.676 1.00 0.16 H new ATOM 0 HD12 LEU A 67 -6.773 2.318 1.586 1.00 0.16 H new ATOM 0 HD13 LEU A 67 -5.205 2.218 2.422 1.00 0.16 H new ATOM 0 HD21 LEU A 67 -3.781 0.650 0.186 1.00 0.21 H new ATOM 0 HD22 LEU A 67 -3.666 0.233 1.913 1.00 0.21 H new ATOM 0 HD23 LEU A 67 -4.210 -0.987 0.737 1.00 0.21 H new ATOM 1014 N VAL A 68 -5.989 -0.548 6.024 1.00 0.22 N ATOM 1015 CA VAL A 68 -6.809 -0.716 7.218 1.00 0.20 C ATOM 1016 C VAL A 68 -6.514 0.372 8.245 1.00 0.21 C ATOM 1017 O VAL A 68 -5.466 1.017 8.218 1.00 0.22 O ATOM 1018 CB VAL A 68 -6.581 -2.095 7.866 1.00 0.19 C ATOM 1019 CG1 VAL A 68 -7.642 -3.083 7.408 1.00 0.22 C ATOM 1020 CG2 VAL A 68 -5.186 -2.610 7.544 1.00 0.20 C ATOM 0 H VAL A 68 -4.989 -0.466 6.207 1.00 0.22 H new ATOM 0 HA VAL A 68 -7.849 -0.640 6.901 1.00 0.20 H new ATOM 0 HB VAL A 68 -6.663 -1.987 8.948 1.00 0.19 H new ATOM 0 HG11 VAL A 68 -7.464 -4.051 7.876 1.00 0.22 H new ATOM 0 HG12 VAL A 68 -8.628 -2.717 7.695 1.00 0.22 H new ATOM 0 HG13 VAL A 68 -7.596 -3.190 6.324 1.00 0.22 H new ATOM 0 HG21 VAL A 68 -5.042 -3.585 8.009 1.00 0.20 H new ATOM 0 HG22 VAL A 68 -5.073 -2.703 6.464 1.00 0.20 H new ATOM 0 HG23 VAL A 68 -4.443 -1.911 7.928 1.00 0.20 H new ATOM 1030 N PRO A 69 -7.459 0.581 9.173 1.00 0.20 N ATOM 1031 CA PRO A 69 -7.322 1.590 10.228 1.00 0.22 C ATOM 1032 C PRO A 69 -6.259 1.216 11.254 1.00 0.20 C ATOM 1033 O PRO A 69 -6.386 0.214 11.957 1.00 0.25 O ATOM 1034 CB PRO A 69 -8.708 1.613 10.878 1.00 0.23 C ATOM 1035 CG PRO A 69 -9.277 0.265 10.604 1.00 0.21 C ATOM 1036 CD PRO A 69 -8.734 -0.151 9.266 1.00 0.20 C ATOM 0 HA PRO A 69 -7.006 2.555 9.831 1.00 0.22 H new ATOM 0 HB2 PRO A 69 -8.640 1.804 11.949 1.00 0.23 H new ATOM 0 HB3 PRO A 69 -9.331 2.400 10.453 1.00 0.23 H new ATOM 0 HG2 PRO A 69 -8.989 -0.445 11.379 1.00 0.21 H new ATOM 0 HG3 PRO A 69 -10.366 0.297 10.590 1.00 0.21 H new ATOM 0 HD2 PRO A 69 -8.583 -1.229 9.211 1.00 0.20 H new ATOM 0 HD3 PRO A 69 -9.412 0.118 8.456 1.00 0.20 H new ATOM 1044 N GLY A 70 -5.209 2.027 11.335 1.00 0.17 N ATOM 1045 CA GLY A 70 -4.138 1.765 12.279 1.00 0.17 C ATOM 1046 C GLY A 70 -3.044 0.899 11.688 1.00 0.16 C ATOM 1047 O GLY A 70 -2.127 0.476 12.393 1.00 0.16 O ATOM 0 H GLY A 70 -5.081 2.862 10.763 1.00 0.17 H new ATOM 0 HA2 GLY A 70 -3.710 2.711 12.609 1.00 0.17 H new ATOM 0 HA3 GLY A 70 -4.548 1.275 13.162 1.00 0.17 H new ATOM 1051 N SER A 71 -3.139 0.632 10.389 1.00 0.15 N ATOM 1052 CA SER A 71 -2.151 -0.192 9.703 1.00 0.16 C ATOM 1053 C SER A 71 -0.744 0.362 9.908 1.00 0.14 C ATOM 1054 O SER A 71 -0.556 1.567 10.077 1.00 0.21 O ATOM 1055 CB SER A 71 -2.468 -0.269 8.209 1.00 0.21 C ATOM 1056 OG SER A 71 -1.769 0.728 7.486 1.00 0.70 O ATOM 0 H SER A 71 -3.891 0.975 9.791 1.00 0.15 H new ATOM 0 HA SER A 71 -2.193 -1.195 10.128 1.00 0.16 H new ATOM 0 HB2 SER A 71 -2.199 -1.254 7.828 1.00 0.21 H new ATOM 0 HB3 SER A 71 -3.540 -0.149 8.055 1.00 0.21 H new ATOM 0 HG SER A 71 -1.988 0.656 6.534 1.00 0.70 H new ATOM 1062 N THR A 72 0.244 -0.528 9.893 1.00 0.13 N ATOM 1063 CA THR A 72 1.633 -0.131 10.077 1.00 0.12 C ATOM 1064 C THR A 72 2.555 -0.911 9.147 1.00 0.12 C ATOM 1065 O THR A 72 2.777 -2.107 9.333 1.00 0.12 O ATOM 1066 CB THR A 72 2.090 -0.347 11.532 1.00 0.13 C ATOM 1067 OG1 THR A 72 2.213 -1.746 11.805 1.00 0.15 O ATOM 1068 CG2 THR A 72 1.105 0.283 12.507 1.00 0.13 C ATOM 0 H THR A 72 0.107 -1.529 9.755 1.00 0.13 H new ATOM 0 HA THR A 72 1.693 0.931 9.838 1.00 0.12 H new ATOM 0 HB THR A 72 3.060 0.132 11.660 1.00 0.13 H new ATOM 0 HG1 THR A 72 2.624 -1.873 12.685 1.00 0.15 H new ATOM 0 HG21 THR A 72 1.448 0.118 13.528 1.00 0.13 H new ATOM 0 HG22 THR A 72 1.038 1.354 12.315 1.00 0.13 H new ATOM 0 HG23 THR A 72 0.123 -0.171 12.376 1.00 0.13 H new ATOM 1076 N THR A 73 3.094 -0.223 8.142 1.00 0.13 N ATOM 1077 CA THR A 73 3.991 -0.852 7.182 1.00 0.13 C ATOM 1078 C THR A 73 4.791 0.194 6.413 1.00 0.15 C ATOM 1079 O THR A 73 4.344 1.328 6.239 1.00 0.23 O ATOM 1080 CB THR A 73 3.219 -1.731 6.180 1.00 0.14 C ATOM 1081 OG1 THR A 73 1.938 -2.075 6.718 1.00 0.25 O ATOM 1082 CG2 THR A 73 3.997 -2.997 5.859 1.00 0.18 C ATOM 0 H THR A 73 2.924 0.769 7.974 1.00 0.13 H new ATOM 0 HA THR A 73 4.673 -1.482 7.753 1.00 0.13 H new ATOM 0 HB THR A 73 3.086 -1.163 5.259 1.00 0.14 H new ATOM 0 HG1 THR A 73 1.452 -2.633 6.075 1.00 0.25 H new ATOM 0 HG21 THR A 73 3.432 -3.601 5.150 1.00 0.18 H new ATOM 0 HG22 THR A 73 4.960 -2.732 5.423 1.00 0.18 H new ATOM 0 HG23 THR A 73 4.158 -3.567 6.774 1.00 0.18 H new ATOM 1090 N LEU A 74 5.975 -0.195 5.952 1.00 0.12 N ATOM 1091 CA LEU A 74 6.838 0.709 5.199 1.00 0.12 C ATOM 1092 C LEU A 74 7.334 0.047 3.918 1.00 0.13 C ATOM 1093 O LEU A 74 8.281 -0.741 3.941 1.00 0.19 O ATOM 1094 CB LEU A 74 8.027 1.143 6.057 1.00 0.13 C ATOM 1095 CG LEU A 74 7.700 2.031 7.257 1.00 0.14 C ATOM 1096 CD1 LEU A 74 8.629 1.721 8.421 1.00 0.23 C ATOM 1097 CD2 LEU A 74 7.795 3.501 6.875 1.00 0.18 C ATOM 0 H LEU A 74 6.359 -1.130 6.086 1.00 0.12 H new ATOM 0 HA LEU A 74 6.254 1.588 4.928 1.00 0.12 H new ATOM 0 HB2 LEU A 74 8.533 0.248 6.420 1.00 0.13 H new ATOM 0 HB3 LEU A 74 8.735 1.674 5.420 1.00 0.13 H new ATOM 0 HG LEU A 74 6.677 1.822 7.570 1.00 0.14 H new ATOM 0 HD11 LEU A 74 8.381 2.363 9.266 1.00 0.23 H new ATOM 0 HD12 LEU A 74 8.512 0.677 8.712 1.00 0.23 H new ATOM 0 HD13 LEU A 74 9.661 1.900 8.120 1.00 0.23 H new ATOM 0 HD21 LEU A 74 7.559 4.118 7.742 1.00 0.18 H new ATOM 0 HD22 LEU A 74 8.806 3.724 6.535 1.00 0.18 H new ATOM 0 HD23 LEU A 74 7.088 3.715 6.074 1.00 0.18 H new ATOM 1109 N HIS A 75 6.692 0.373 2.801 1.00 0.12 N ATOM 1110 CA HIS A 75 7.071 -0.187 1.509 1.00 0.14 C ATOM 1111 C HIS A 75 8.319 0.500 0.963 1.00 0.16 C ATOM 1112 O HIS A 75 8.458 1.720 1.055 1.00 0.34 O ATOM 1113 CB HIS A 75 5.921 -0.048 0.513 1.00 0.16 C ATOM 1114 CG HIS A 75 4.603 -0.515 1.049 1.00 0.17 C ATOM 1115 ND1 HIS A 75 3.827 0.242 1.904 1.00 0.18 N ATOM 1116 CD2 HIS A 75 3.922 -1.668 0.847 1.00 0.18 C ATOM 1117 CE1 HIS A 75 2.730 -0.427 2.204 1.00 0.19 C ATOM 1118 NE2 HIS A 75 2.762 -1.588 1.577 1.00 0.20 N ATOM 0 H HIS A 75 5.906 1.023 2.765 1.00 0.12 H new ATOM 0 HA HIS A 75 7.293 -1.245 1.651 1.00 0.14 H new ATOM 0 HB2 HIS A 75 5.833 0.997 0.216 1.00 0.16 H new ATOM 0 HB3 HIS A 75 6.160 -0.616 -0.386 1.00 0.16 H new ATOM 0 HD1 HIS A 75 4.064 1.172 2.249 1.00 0.18 H new ATOM 0 HD2 HIS A 75 4.233 -2.496 0.227 1.00 0.18 H new ATOM 0 HE1 HIS A 75 1.939 -0.082 2.853 1.00 0.19 H new ATOM 1126 N SER A 76 9.224 -0.291 0.395 1.00 0.21 N ATOM 1127 CA SER A 76 10.462 0.241 -0.160 1.00 0.21 C ATOM 1128 C SER A 76 10.512 0.033 -1.671 1.00 0.20 C ATOM 1129 O SER A 76 9.625 -0.590 -2.252 1.00 0.24 O ATOM 1130 CB SER A 76 11.671 -0.429 0.498 1.00 0.22 C ATOM 1131 OG SER A 76 11.589 -0.354 1.910 1.00 0.63 O ATOM 0 H SER A 76 9.123 -1.302 0.307 1.00 0.21 H new ATOM 0 HA SER A 76 10.493 1.311 0.045 1.00 0.21 H new ATOM 0 HB2 SER A 76 11.725 -1.473 0.189 1.00 0.22 H new ATOM 0 HB3 SER A 76 12.588 0.053 0.158 1.00 0.22 H new ATOM 0 HG SER A 76 12.372 -0.790 2.307 1.00 0.63 H new ATOM 1137 N ALA A 77 11.558 0.561 -2.300 1.00 0.21 N ATOM 1138 CA ALA A 77 11.726 0.431 -3.741 1.00 0.22 C ATOM 1139 C ALA A 77 11.591 -1.021 -4.184 1.00 0.21 C ATOM 1140 O ALA A 77 11.069 -1.305 -5.261 1.00 0.24 O ATOM 1141 CB ALA A 77 13.076 0.992 -4.167 1.00 0.27 C ATOM 0 H ALA A 77 12.301 1.082 -1.834 1.00 0.21 H new ATOM 0 HA ALA A 77 10.936 1.004 -4.226 1.00 0.22 H new ATOM 0 HB1 ALA A 77 13.189 0.889 -5.246 1.00 0.27 H new ATOM 0 HB2 ALA A 77 13.134 2.046 -3.895 1.00 0.27 H new ATOM 0 HB3 ALA A 77 13.873 0.443 -3.665 1.00 0.27 H new ATOM 1147 N GLU A 78 12.066 -1.937 -3.343 1.00 0.22 N ATOM 1148 CA GLU A 78 11.998 -3.361 -3.650 1.00 0.23 C ATOM 1149 C GLU A 78 10.549 -3.824 -3.768 1.00 0.20 C ATOM 1150 O GLU A 78 10.212 -4.630 -4.635 1.00 0.24 O ATOM 1151 CB GLU A 78 12.717 -4.171 -2.571 1.00 0.26 C ATOM 1152 CG GLU A 78 13.902 -4.966 -3.095 1.00 0.26 C ATOM 1153 CD GLU A 78 14.488 -5.896 -2.051 1.00 0.85 C ATOM 1154 OE1 GLU A 78 13.758 -6.786 -1.572 1.00 2.30 O ATOM 1155 OE2 GLU A 78 15.681 -5.732 -1.714 1.00 1.35 O ATOM 0 H GLU A 78 12.501 -1.718 -2.447 1.00 0.22 H new ATOM 0 HA GLU A 78 12.492 -3.524 -4.608 1.00 0.23 H new ATOM 0 HB2 GLU A 78 13.062 -3.494 -1.789 1.00 0.26 H new ATOM 0 HB3 GLU A 78 12.006 -4.856 -2.109 1.00 0.26 H new ATOM 0 HG2 GLU A 78 13.589 -5.549 -3.961 1.00 0.26 H new ATOM 0 HG3 GLU A 78 14.674 -4.277 -3.437 1.00 0.26 H new ATOM 1162 N ILE A 79 9.696 -3.309 -2.889 1.00 0.20 N ATOM 1163 CA ILE A 79 8.283 -3.670 -2.895 1.00 0.19 C ATOM 1164 C ILE A 79 7.514 -2.865 -3.937 1.00 0.20 C ATOM 1165 O ILE A 79 6.848 -3.429 -4.804 1.00 0.24 O ATOM 1166 CB ILE A 79 7.640 -3.445 -1.512 1.00 0.15 C ATOM 1167 CG1 ILE A 79 8.269 -4.378 -0.475 1.00 0.20 C ATOM 1168 CG2 ILE A 79 6.137 -3.663 -1.588 1.00 0.17 C ATOM 1169 CD1 ILE A 79 9.452 -3.771 0.245 1.00 0.23 C ATOM 0 H ILE A 79 9.958 -2.641 -2.164 1.00 0.20 H new ATOM 0 HA ILE A 79 8.228 -4.729 -3.145 1.00 0.19 H new ATOM 0 HB ILE A 79 7.823 -2.416 -1.204 1.00 0.15 H new ATOM 0 HG12 ILE A 79 7.512 -4.656 0.258 1.00 0.20 H new ATOM 0 HG13 ILE A 79 8.587 -5.296 -0.969 1.00 0.20 H new ATOM 0 HG21 ILE A 79 5.696 -3.501 -0.605 1.00 0.17 H new ATOM 0 HG22 ILE A 79 5.703 -2.961 -2.301 1.00 0.17 H new ATOM 0 HG23 ILE A 79 5.933 -4.683 -1.913 1.00 0.17 H new ATOM 0 HD11 ILE A 79 9.847 -4.488 0.965 1.00 0.23 H new ATOM 0 HD12 ILE A 79 10.227 -3.518 -0.478 1.00 0.23 H new ATOM 0 HD13 ILE A 79 9.136 -2.869 0.768 1.00 0.23 H new ATOM 1181 N LEU A 80 7.613 -1.543 -3.847 1.00 0.20 N ATOM 1182 CA LEU A 80 6.929 -0.658 -4.783 1.00 0.25 C ATOM 1183 C LEU A 80 7.187 -1.089 -6.225 1.00 0.30 C ATOM 1184 O LEU A 80 6.263 -1.161 -7.036 1.00 0.28 O ATOM 1185 CB LEU A 80 7.389 0.786 -4.580 1.00 0.28 C ATOM 1186 CG LEU A 80 7.042 1.418 -3.232 1.00 0.27 C ATOM 1187 CD1 LEU A 80 7.443 2.884 -3.210 1.00 0.32 C ATOM 1188 CD2 LEU A 80 5.555 1.265 -2.938 1.00 0.27 C ATOM 0 H LEU A 80 8.161 -1.060 -3.135 1.00 0.20 H new ATOM 0 HA LEU A 80 5.858 -0.721 -4.589 1.00 0.25 H new ATOM 0 HB2 LEU A 80 8.471 0.823 -4.708 1.00 0.28 H new ATOM 0 HB3 LEU A 80 6.953 1.399 -5.369 1.00 0.28 H new ATOM 0 HG LEU A 80 7.602 0.898 -2.454 1.00 0.27 H new ATOM 0 HD11 LEU A 80 7.188 3.316 -2.243 1.00 0.32 H new ATOM 0 HD12 LEU A 80 8.517 2.970 -3.374 1.00 0.32 H new ATOM 0 HD13 LEU A 80 6.912 3.418 -3.998 1.00 0.32 H new ATOM 0 HD21 LEU A 80 5.326 1.721 -1.975 1.00 0.27 H new ATOM 0 HD22 LEU A 80 4.977 1.758 -3.719 1.00 0.27 H new ATOM 0 HD23 LEU A 80 5.297 0.206 -2.909 1.00 0.27 H new ATOM 1200 N ALA A 81 8.447 -1.373 -6.535 1.00 0.40 N ATOM 1201 CA ALA A 81 8.825 -1.799 -7.877 1.00 0.47 C ATOM 1202 C ALA A 81 7.946 -2.951 -8.355 1.00 0.43 C ATOM 1203 O ALA A 81 7.394 -2.907 -9.454 1.00 0.40 O ATOM 1204 CB ALA A 81 10.291 -2.204 -7.909 1.00 0.57 C ATOM 0 H ALA A 81 9.223 -1.316 -5.876 1.00 0.40 H new ATOM 0 HA ALA A 81 8.677 -0.957 -8.554 1.00 0.47 H new ATOM 0 HB1 ALA A 81 10.559 -2.520 -8.917 1.00 0.57 H new ATOM 0 HB2 ALA A 81 10.909 -1.355 -7.618 1.00 0.57 H new ATOM 0 HB3 ALA A 81 10.456 -3.028 -7.215 1.00 0.57 H new ATOM 1210 N GLU A 82 7.824 -3.981 -7.524 1.00 0.43 N ATOM 1211 CA GLU A 82 7.013 -5.144 -7.863 1.00 0.41 C ATOM 1212 C GLU A 82 5.569 -4.738 -8.142 1.00 0.34 C ATOM 1213 O GLU A 82 4.974 -5.161 -9.133 1.00 0.38 O ATOM 1214 CB GLU A 82 7.056 -6.172 -6.731 1.00 0.42 C ATOM 1215 CG GLU A 82 6.820 -7.599 -7.195 1.00 0.76 C ATOM 1216 CD GLU A 82 5.598 -7.729 -8.083 1.00 3.42 C ATOM 1217 OE1 GLU A 82 4.490 -7.934 -7.545 1.00 4.91 O ATOM 1218 OE2 GLU A 82 5.749 -7.624 -9.318 1.00 4.66 O ATOM 0 H GLU A 82 8.276 -4.034 -6.611 1.00 0.43 H new ATOM 0 HA GLU A 82 7.427 -5.592 -8.766 1.00 0.41 H new ATOM 0 HB2 GLU A 82 8.026 -6.115 -6.237 1.00 0.42 H new ATOM 0 HB3 GLU A 82 6.303 -5.912 -5.987 1.00 0.42 H new ATOM 0 HG2 GLU A 82 7.698 -7.951 -7.737 1.00 0.76 H new ATOM 0 HG3 GLU A 82 6.703 -8.245 -6.325 1.00 0.76 H new ATOM 1225 N ILE A 83 5.010 -3.917 -7.258 1.00 0.25 N ATOM 1226 CA ILE A 83 3.636 -3.453 -7.409 1.00 0.19 C ATOM 1227 C ILE A 83 3.413 -2.835 -8.785 1.00 0.19 C ATOM 1228 O ILE A 83 2.641 -3.354 -9.591 1.00 0.21 O ATOM 1229 CB ILE A 83 3.270 -2.418 -6.329 1.00 0.18 C ATOM 1230 CG1 ILE A 83 3.519 -2.996 -4.934 1.00 0.18 C ATOM 1231 CG2 ILE A 83 1.819 -1.988 -6.480 1.00 0.18 C ATOM 1232 CD1 ILE A 83 2.755 -4.275 -4.665 1.00 0.26 C ATOM 0 H ILE A 83 5.487 -3.560 -6.430 1.00 0.25 H new ATOM 0 HA ILE A 83 2.994 -4.326 -7.297 1.00 0.19 H new ATOM 0 HB ILE A 83 3.904 -1.540 -6.456 1.00 0.18 H new ATOM 0 HG12 ILE A 83 4.585 -3.187 -4.814 1.00 0.18 H new ATOM 0 HG13 ILE A 83 3.242 -2.253 -4.187 1.00 0.18 H new ATOM 0 HG21 ILE A 83 1.574 -1.256 -5.710 1.00 0.18 H new ATOM 0 HG22 ILE A 83 1.672 -1.542 -7.464 1.00 0.18 H new ATOM 0 HG23 ILE A 83 1.169 -2.857 -6.375 1.00 0.18 H new ATOM 0 HD11 ILE A 83 2.979 -4.628 -3.658 1.00 0.26 H new ATOM 0 HD12 ILE A 83 1.685 -4.085 -4.753 1.00 0.26 H new ATOM 0 HD13 ILE A 83 3.050 -5.034 -5.390 1.00 0.26 H new ATOM 1244 N ALA A 84 4.095 -1.726 -9.048 1.00 0.20 N ATOM 1245 CA ALA A 84 3.973 -1.039 -10.328 1.00 0.21 C ATOM 1246 C ALA A 84 4.189 -2.003 -11.490 1.00 0.22 C ATOM 1247 O ALA A 84 3.480 -1.946 -12.495 1.00 0.26 O ATOM 1248 CB ALA A 84 4.963 0.115 -10.406 1.00 0.24 C ATOM 0 H ALA A 84 4.738 -1.284 -8.392 1.00 0.20 H new ATOM 0 HA ALA A 84 2.961 -0.640 -10.403 1.00 0.21 H new ATOM 0 HB1 ALA A 84 4.860 0.618 -11.367 1.00 0.24 H new ATOM 0 HB2 ALA A 84 4.761 0.823 -9.602 1.00 0.24 H new ATOM 0 HB3 ALA A 84 5.978 -0.269 -10.304 1.00 0.24 H new ATOM 1254 N ARG A 85 5.172 -2.884 -11.346 1.00 0.25 N ATOM 1255 CA ARG A 85 5.482 -3.859 -12.386 1.00 0.27 C ATOM 1256 C ARG A 85 4.230 -4.625 -12.803 1.00 0.24 C ATOM 1257 O ARG A 85 3.899 -4.695 -13.988 1.00 0.27 O ATOM 1258 CB ARG A 85 6.647 -4.788 -11.991 1.00 0.29 C ATOM 1259 CG ARG A 85 7.030 -5.821 -13.069 1.00 0.45 C ATOM 1260 CD ARG A 85 7.491 -5.216 -14.404 1.00 0.58 C ATOM 1261 NE ARG A 85 8.682 -4.363 -14.254 1.00 1.40 N ATOM 1262 CZ ARG A 85 9.954 -4.792 -14.139 1.00 1.25 C ATOM 1263 NH1 ARG A 85 10.268 -6.098 -14.171 1.00 2.03 N ATOM 1264 NH2 ARG A 85 10.932 -3.890 -13.988 1.00 2.10 N ATOM 0 H ARG A 85 5.768 -2.944 -10.520 1.00 0.25 H new ATOM 0 HA ARG A 85 5.831 -3.310 -13.261 1.00 0.27 H new ATOM 0 HB2 ARG A 85 7.521 -4.178 -11.763 1.00 0.29 H new ATOM 0 HB3 ARG A 85 6.380 -5.317 -11.076 1.00 0.29 H new ATOM 0 HG2 ARG A 85 7.826 -6.455 -12.679 1.00 0.45 H new ATOM 0 HG3 ARG A 85 6.172 -6.466 -13.255 1.00 0.45 H new ATOM 0 HD2 ARG A 85 7.710 -6.020 -15.107 1.00 0.58 H new ATOM 0 HD3 ARG A 85 6.679 -4.629 -14.833 1.00 0.58 H new ATOM 0 HE ARG A 85 8.530 -3.355 -14.235 1.00 1.40 H new ATOM 0 HH11 ARG A 85 9.533 -6.796 -14.285 1.00 2.03 H new ATOM 0 HH12 ARG A 85 11.241 -6.391 -14.081 1.00 2.03 H new ATOM 0 HH21 ARG A 85 10.709 -2.895 -13.961 1.00 2.10 H new ATOM 0 HH22 ARG A 85 11.900 -4.198 -13.899 1.00 2.10 H new ATOM 1278 N ILE A 86 3.539 -5.199 -11.824 1.00 0.22 N ATOM 1279 CA ILE A 86 2.325 -5.959 -12.089 1.00 0.20 C ATOM 1280 C ILE A 86 1.124 -5.035 -12.264 1.00 0.19 C ATOM 1281 O ILE A 86 0.039 -5.473 -12.647 1.00 0.19 O ATOM 1282 CB ILE A 86 2.028 -6.961 -10.958 1.00 0.22 C ATOM 1283 CG1 ILE A 86 1.687 -6.216 -9.666 1.00 0.22 C ATOM 1284 CG2 ILE A 86 3.216 -7.885 -10.744 1.00 0.27 C ATOM 1285 CD1 ILE A 86 1.298 -7.130 -8.526 1.00 0.24 C ATOM 0 H ILE A 86 3.800 -5.152 -10.839 1.00 0.22 H new ATOM 0 HA ILE A 86 2.494 -6.509 -13.014 1.00 0.20 H new ATOM 0 HB ILE A 86 1.169 -7.567 -11.245 1.00 0.22 H new ATOM 0 HG12 ILE A 86 2.546 -5.617 -9.364 1.00 0.22 H new ATOM 0 HG13 ILE A 86 0.868 -5.523 -9.861 1.00 0.22 H new ATOM 0 HG21 ILE A 86 2.991 -8.587 -9.941 1.00 0.27 H new ATOM 0 HG22 ILE A 86 3.418 -8.436 -11.662 1.00 0.27 H new ATOM 0 HG23 ILE A 86 4.092 -7.295 -10.474 1.00 0.27 H new ATOM 0 HD11 ILE A 86 1.070 -6.533 -7.643 1.00 0.24 H new ATOM 0 HD12 ILE A 86 0.420 -7.711 -8.809 1.00 0.24 H new ATOM 0 HD13 ILE A 86 2.124 -7.806 -8.304 1.00 0.24 H new ATOM 1297 N LEU A 87 1.327 -3.753 -11.982 1.00 0.19 N ATOM 1298 CA LEU A 87 0.263 -2.764 -12.107 1.00 0.19 C ATOM 1299 C LEU A 87 0.037 -2.390 -13.569 1.00 0.19 C ATOM 1300 O LEU A 87 0.906 -1.797 -14.210 1.00 0.33 O ATOM 1301 CB LEU A 87 0.601 -1.513 -11.296 1.00 0.19 C ATOM 1302 CG LEU A 87 -0.562 -0.869 -10.539 1.00 0.19 C ATOM 1303 CD1 LEU A 87 -0.135 0.463 -9.938 1.00 0.27 C ATOM 1304 CD2 LEU A 87 -1.758 -0.681 -11.460 1.00 0.18 C ATOM 0 H LEU A 87 2.219 -3.374 -11.665 1.00 0.19 H new ATOM 0 HA LEU A 87 -0.654 -3.204 -11.716 1.00 0.19 H new ATOM 0 HB2 LEU A 87 1.379 -1.770 -10.577 1.00 0.19 H new ATOM 0 HB3 LEU A 87 1.025 -0.770 -11.972 1.00 0.19 H new ATOM 0 HG LEU A 87 -0.855 -1.534 -9.727 1.00 0.19 H new ATOM 0 HD11 LEU A 87 -0.975 0.907 -9.403 1.00 0.27 H new ATOM 0 HD12 LEU A 87 0.691 0.302 -9.246 1.00 0.27 H new ATOM 0 HD13 LEU A 87 0.185 1.136 -10.734 1.00 0.27 H new ATOM 0 HD21 LEU A 87 -2.576 -0.222 -10.905 1.00 0.18 H new ATOM 0 HD22 LEU A 87 -1.478 -0.036 -12.293 1.00 0.18 H new ATOM 0 HD23 LEU A 87 -2.078 -1.650 -11.843 1.00 0.18 H new ATOM 1316 N ARG A 88 -1.135 -2.737 -14.091 1.00 0.12 N ATOM 1317 CA ARG A 88 -1.474 -2.437 -15.477 1.00 0.13 C ATOM 1318 C ARG A 88 -1.291 -0.950 -15.772 1.00 0.14 C ATOM 1319 O ARG A 88 -1.255 -0.113 -14.869 1.00 0.12 O ATOM 1320 CB ARG A 88 -2.946 -2.836 -15.730 1.00 0.17 C ATOM 1321 CG ARG A 88 -3.112 -4.167 -16.473 1.00 0.17 C ATOM 1322 CD ARG A 88 -4.582 -4.413 -16.824 1.00 0.17 C ATOM 1323 NE ARG A 88 -4.723 -5.309 -17.981 1.00 0.50 N ATOM 1324 CZ ARG A 88 -4.750 -4.913 -19.269 1.00 1.93 C ATOM 1325 NH1 ARG A 88 -4.620 -3.621 -19.615 1.00 3.52 N ATOM 1326 NH2 ARG A 88 -4.909 -5.830 -20.233 1.00 1.99 N ATOM 0 H ARG A 88 -1.866 -3.226 -13.575 1.00 0.12 H new ATOM 0 HA ARG A 88 -0.811 -3.001 -16.133 1.00 0.13 H new ATOM 0 HB2 ARG A 88 -3.464 -2.899 -14.773 1.00 0.17 H new ATOM 0 HB3 ARG A 88 -3.432 -2.048 -16.305 1.00 0.17 H new ATOM 0 HG2 ARG A 88 -2.513 -4.158 -17.383 1.00 0.17 H new ATOM 0 HG3 ARG A 88 -2.739 -4.983 -15.854 1.00 0.17 H new ATOM 0 HD2 ARG A 88 -5.094 -4.846 -15.964 1.00 0.17 H new ATOM 0 HD3 ARG A 88 -5.069 -3.462 -17.039 1.00 0.17 H new ATOM 0 HE ARG A 88 -4.807 -6.308 -17.794 1.00 0.50 H new ATOM 0 HH11 ARG A 88 -4.497 -2.910 -18.894 1.00 3.52 H new ATOM 0 HH12 ARG A 88 -4.644 -3.351 -20.598 1.00 3.52 H new ATOM 0 HH21 ARG A 88 -5.008 -6.815 -19.988 1.00 1.99 H new ATOM 0 HH22 ARG A 88 -4.931 -5.543 -21.211 1.00 1.99 H new ATOM 1340 N PRO A 89 -1.172 -0.614 -17.064 1.00 0.19 N ATOM 1341 CA PRO A 89 -0.990 0.771 -17.508 1.00 0.22 C ATOM 1342 C PRO A 89 -2.244 1.614 -17.302 1.00 0.23 C ATOM 1343 O PRO A 89 -3.278 1.371 -17.926 1.00 0.27 O ATOM 1344 CB PRO A 89 -0.681 0.628 -19.000 1.00 0.28 C ATOM 1345 CG PRO A 89 -1.309 -0.663 -19.395 1.00 0.28 C ATOM 1346 CD PRO A 89 -1.206 -1.560 -18.193 1.00 0.22 C ATOM 0 HA PRO A 89 -0.209 1.281 -16.944 1.00 0.22 H new ATOM 0 HB2 PRO A 89 -1.093 1.460 -19.571 1.00 0.28 H new ATOM 0 HB3 PRO A 89 0.394 0.618 -19.182 1.00 0.28 H new ATOM 0 HG2 PRO A 89 -2.350 -0.518 -19.685 1.00 0.28 H new ATOM 0 HG3 PRO A 89 -0.797 -1.100 -20.252 1.00 0.28 H new ATOM 0 HD2 PRO A 89 -2.056 -2.238 -18.124 1.00 0.22 H new ATOM 0 HD3 PRO A 89 -0.308 -2.177 -18.228 1.00 0.22 H new ATOM 1354 N GLY A 90 -2.147 2.608 -16.424 1.00 0.21 N ATOM 1355 CA GLY A 90 -3.281 3.472 -16.153 1.00 0.22 C ATOM 1356 C GLY A 90 -4.041 3.058 -14.908 1.00 0.20 C ATOM 1357 O GLY A 90 -5.090 3.622 -14.597 1.00 0.24 O ATOM 0 H GLY A 90 -1.303 2.830 -15.896 1.00 0.21 H new ATOM 0 HA2 GLY A 90 -2.932 4.498 -16.038 1.00 0.22 H new ATOM 0 HA3 GLY A 90 -3.956 3.459 -17.008 1.00 0.22 H new ATOM 1361 N GLY A 91 -3.510 2.070 -14.194 1.00 0.15 N ATOM 1362 CA GLY A 91 -4.160 1.597 -12.985 1.00 0.14 C ATOM 1363 C GLY A 91 -3.915 2.510 -11.800 1.00 0.14 C ATOM 1364 O GLY A 91 -3.522 3.665 -11.968 1.00 0.17 O ATOM 0 H GLY A 91 -2.642 1.589 -14.431 1.00 0.15 H new ATOM 0 HA2 GLY A 91 -5.233 1.515 -13.161 1.00 0.14 H new ATOM 0 HA3 GLY A 91 -3.798 0.596 -12.749 1.00 0.14 H new ATOM 1368 N CYS A 92 -4.148 1.992 -10.599 1.00 0.14 N ATOM 1369 CA CYS A 92 -3.952 2.769 -9.381 1.00 0.15 C ATOM 1370 C CYS A 92 -3.303 1.921 -8.292 1.00 0.13 C ATOM 1371 O CYS A 92 -3.441 0.697 -8.279 1.00 0.15 O ATOM 1372 CB CYS A 92 -5.288 3.324 -8.884 1.00 0.18 C ATOM 1373 SG CYS A 92 -5.812 4.842 -9.713 1.00 0.28 S ATOM 0 H CYS A 92 -4.473 1.038 -10.443 1.00 0.14 H new ATOM 0 HA CYS A 92 -3.286 3.600 -9.614 1.00 0.15 H new ATOM 0 HB2 CYS A 92 -6.058 2.564 -9.020 1.00 0.18 H new ATOM 0 HB3 CYS A 92 -5.214 3.515 -7.813 1.00 0.18 H new ATOM 0 HG CYS A 92 -6.953 5.231 -9.225 1.00 0.28 H new ATOM 1379 N LEU A 93 -2.593 2.577 -7.382 1.00 0.11 N ATOM 1380 CA LEU A 93 -1.920 1.883 -6.289 1.00 0.10 C ATOM 1381 C LEU A 93 -2.079 2.648 -4.979 1.00 0.10 C ATOM 1382 O LEU A 93 -1.611 3.778 -4.846 1.00 0.15 O ATOM 1383 CB LEU A 93 -0.436 1.703 -6.610 1.00 0.12 C ATOM 1384 CG LEU A 93 0.441 1.193 -5.467 1.00 0.11 C ATOM 1385 CD1 LEU A 93 0.890 2.347 -4.583 1.00 0.12 C ATOM 1386 CD2 LEU A 93 -0.303 0.150 -4.647 1.00 0.10 C ATOM 0 H LEU A 93 -2.468 3.589 -7.379 1.00 0.11 H new ATOM 0 HA LEU A 93 -2.382 0.902 -6.175 1.00 0.10 H new ATOM 0 HB2 LEU A 93 -0.347 1.010 -7.446 1.00 0.12 H new ATOM 0 HB3 LEU A 93 -0.039 2.661 -6.946 1.00 0.12 H new ATOM 0 HG LEU A 93 1.326 0.724 -5.896 1.00 0.11 H new ATOM 0 HD11 LEU A 93 1.513 1.965 -3.775 1.00 0.12 H new ATOM 0 HD12 LEU A 93 1.463 3.059 -5.177 1.00 0.12 H new ATOM 0 HD13 LEU A 93 0.016 2.845 -4.163 1.00 0.12 H new ATOM 0 HD21 LEU A 93 0.337 -0.201 -3.838 1.00 0.10 H new ATOM 0 HD22 LEU A 93 -1.207 0.593 -4.228 1.00 0.10 H new ATOM 0 HD23 LEU A 93 -0.574 -0.690 -5.286 1.00 0.10 H new ATOM 1398 N PHE A 94 -2.743 2.021 -4.011 1.00 0.09 N ATOM 1399 CA PHE A 94 -2.962 2.642 -2.709 1.00 0.10 C ATOM 1400 C PHE A 94 -2.189 1.906 -1.619 1.00 0.10 C ATOM 1401 O PHE A 94 -2.213 0.676 -1.546 1.00 0.10 O ATOM 1402 CB PHE A 94 -4.454 2.655 -2.374 1.00 0.10 C ATOM 1403 CG PHE A 94 -5.302 3.295 -3.434 1.00 0.10 C ATOM 1404 CD1 PHE A 94 -5.685 2.581 -4.559 1.00 1.60 C ATOM 1405 CD2 PHE A 94 -5.717 4.611 -3.307 1.00 1.61 C ATOM 1406 CE1 PHE A 94 -6.466 3.168 -5.537 1.00 1.61 C ATOM 1407 CE2 PHE A 94 -6.498 5.203 -4.283 1.00 1.60 C ATOM 1408 CZ PHE A 94 -6.873 4.481 -5.399 1.00 0.13 C ATOM 0 H PHE A 94 -3.138 1.085 -4.104 1.00 0.09 H new ATOM 0 HA PHE A 94 -2.598 3.668 -2.756 1.00 0.10 H new ATOM 0 HB2 PHE A 94 -4.792 1.630 -2.219 1.00 0.10 H new ATOM 0 HB3 PHE A 94 -4.602 3.185 -1.433 1.00 0.10 H new ATOM 0 HD1 PHE A 94 -5.370 1.554 -4.673 1.00 1.60 H new ATOM 0 HD2 PHE A 94 -5.427 5.181 -2.436 1.00 1.61 H new ATOM 0 HE1 PHE A 94 -6.758 2.601 -6.408 1.00 1.61 H new ATOM 0 HE2 PHE A 94 -6.815 6.230 -4.172 1.00 1.60 H new ATOM 0 HZ PHE A 94 -7.483 4.942 -6.162 1.00 0.13 H new ATOM 1418 N LEU A 95 -1.503 2.666 -0.773 1.00 0.11 N ATOM 1419 CA LEU A 95 -0.722 2.088 0.314 1.00 0.12 C ATOM 1420 C LEU A 95 -0.685 3.025 1.517 1.00 0.13 C ATOM 1421 O LEU A 95 -0.916 4.228 1.388 1.00 0.16 O ATOM 1422 CB LEU A 95 0.702 1.789 -0.156 1.00 0.13 C ATOM 1423 CG LEU A 95 1.345 2.842 -1.059 1.00 0.14 C ATOM 1424 CD1 LEU A 95 1.590 4.129 -0.287 1.00 0.15 C ATOM 1425 CD2 LEU A 95 2.647 2.316 -1.649 1.00 0.17 C ATOM 0 H LEU A 95 -1.472 3.684 -0.819 1.00 0.11 H new ATOM 0 HA LEU A 95 -1.202 1.157 0.616 1.00 0.12 H new ATOM 0 HB2 LEU A 95 1.333 1.658 0.723 1.00 0.13 H new ATOM 0 HB3 LEU A 95 0.695 0.838 -0.688 1.00 0.13 H new ATOM 0 HG LEU A 95 0.659 3.058 -1.878 1.00 0.14 H new ATOM 0 HD11 LEU A 95 2.048 4.867 -0.946 1.00 0.15 H new ATOM 0 HD12 LEU A 95 0.642 4.515 0.087 1.00 0.15 H new ATOM 0 HD13 LEU A 95 2.256 3.929 0.552 1.00 0.15 H new ATOM 0 HD21 LEU A 95 3.091 3.079 -2.289 1.00 0.17 H new ATOM 0 HD22 LEU A 95 3.339 2.071 -0.843 1.00 0.17 H new ATOM 0 HD23 LEU A 95 2.444 1.421 -2.238 1.00 0.17 H new ATOM 1437 N LYS A 96 -0.391 2.467 2.686 1.00 0.15 N ATOM 1438 CA LYS A 96 -0.321 3.252 3.914 1.00 0.17 C ATOM 1439 C LYS A 96 0.999 3.011 4.639 1.00 0.13 C ATOM 1440 O LYS A 96 1.364 1.870 4.918 1.00 0.14 O ATOM 1441 CB LYS A 96 -1.492 2.905 4.835 1.00 0.21 C ATOM 1442 CG LYS A 96 -2.613 3.929 4.808 1.00 1.33 C ATOM 1443 CD LYS A 96 -2.546 4.861 6.006 1.00 0.50 C ATOM 1444 CE LYS A 96 -3.728 4.655 6.940 1.00 0.77 C ATOM 1445 NZ LYS A 96 -5.004 5.123 6.331 1.00 1.97 N ATOM 0 H LYS A 96 -0.197 1.473 2.810 1.00 0.15 H new ATOM 0 HA LYS A 96 -0.380 4.306 3.644 1.00 0.17 H new ATOM 0 HB2 LYS A 96 -1.893 1.933 4.548 1.00 0.21 H new ATOM 0 HB3 LYS A 96 -1.124 2.809 5.856 1.00 0.21 H new ATOM 0 HG2 LYS A 96 -2.553 4.512 3.889 1.00 1.33 H new ATOM 0 HG3 LYS A 96 -3.575 3.417 4.798 1.00 1.33 H new ATOM 0 HD2 LYS A 96 -1.617 4.690 6.550 1.00 0.50 H new ATOM 0 HD3 LYS A 96 -2.528 5.895 5.663 1.00 0.50 H new ATOM 0 HE2 LYS A 96 -3.812 3.598 7.192 1.00 0.77 H new ATOM 0 HE3 LYS A 96 -3.552 5.192 7.872 1.00 0.77 H new ATOM 0 HZ1 LYS A 96 -5.806 4.772 6.892 1.00 1.97 H new ATOM 0 HZ2 LYS A 96 -5.021 6.163 6.316 1.00 1.97 H new ATOM 0 HZ3 LYS A 96 -5.078 4.762 5.359 1.00 1.97 H new ATOM 1459 N GLU A 97 1.709 4.093 4.941 1.00 0.12 N ATOM 1460 CA GLU A 97 2.988 3.997 5.635 1.00 0.12 C ATOM 1461 C GLU A 97 3.242 5.240 6.483 1.00 0.12 C ATOM 1462 O GLU A 97 2.843 6.352 6.136 1.00 0.13 O ATOM 1463 CB GLU A 97 4.127 3.812 4.629 1.00 0.13 C ATOM 1464 CG GLU A 97 4.344 5.015 3.727 1.00 0.32 C ATOM 1465 CD GLU A 97 5.809 5.379 3.583 1.00 1.10 C ATOM 1466 OE1 GLU A 97 6.558 4.587 2.974 1.00 2.34 O ATOM 1467 OE2 GLU A 97 6.205 6.454 4.078 1.00 1.93 O ATOM 0 H GLU A 97 1.421 5.045 4.716 1.00 0.12 H new ATOM 0 HA GLU A 97 2.950 3.130 6.294 1.00 0.12 H new ATOM 0 HB2 GLU A 97 5.049 3.604 5.171 1.00 0.13 H new ATOM 0 HB3 GLU A 97 3.917 2.939 4.011 1.00 0.13 H new ATOM 0 HG2 GLU A 97 3.927 4.806 2.742 1.00 0.32 H new ATOM 0 HG3 GLU A 97 3.799 5.869 4.129 1.00 0.32 H new ATOM 1474 N PRO A 98 3.922 5.050 7.623 1.00 0.13 N ATOM 1475 CA PRO A 98 4.245 6.143 8.546 1.00 0.14 C ATOM 1476 C PRO A 98 5.285 7.098 7.971 1.00 0.15 C ATOM 1477 O PRO A 98 6.212 6.678 7.278 1.00 0.20 O ATOM 1478 CB PRO A 98 4.804 5.419 9.772 1.00 0.16 C ATOM 1479 CG PRO A 98 5.330 4.128 9.244 1.00 0.16 C ATOM 1480 CD PRO A 98 4.428 3.751 8.100 1.00 0.14 C ATOM 0 HA PRO A 98 3.376 6.765 8.761 1.00 0.14 H new ATOM 0 HB2 PRO A 98 5.592 6.001 10.250 1.00 0.16 H new ATOM 0 HB3 PRO A 98 4.030 5.254 10.521 1.00 0.16 H new ATOM 0 HG2 PRO A 98 6.362 4.235 8.909 1.00 0.16 H new ATOM 0 HG3 PRO A 98 5.324 3.359 10.016 1.00 0.16 H new ATOM 0 HD2 PRO A 98 4.971 3.219 7.318 1.00 0.14 H new ATOM 0 HD3 PRO A 98 3.618 3.099 8.425 1.00 0.14 H new ATOM 1488 N VAL A 99 5.126 8.384 8.262 1.00 0.13 N ATOM 1489 CA VAL A 99 6.052 9.400 7.775 1.00 0.13 C ATOM 1490 C VAL A 99 6.581 10.256 8.921 1.00 0.14 C ATOM 1491 O VAL A 99 5.873 10.514 9.893 1.00 0.16 O ATOM 1492 CB VAL A 99 5.385 10.315 6.731 1.00 0.14 C ATOM 1493 CG1 VAL A 99 4.772 9.488 5.611 1.00 0.20 C ATOM 1494 CG2 VAL A 99 4.335 11.196 7.390 1.00 0.15 C ATOM 0 H VAL A 99 4.364 8.748 8.833 1.00 0.13 H new ATOM 0 HA VAL A 99 6.882 8.872 7.306 1.00 0.13 H new ATOM 0 HB VAL A 99 6.149 10.961 6.297 1.00 0.14 H new ATOM 0 HG11 VAL A 99 4.305 10.151 4.883 1.00 0.20 H new ATOM 0 HG12 VAL A 99 5.551 8.903 5.122 1.00 0.20 H new ATOM 0 HG13 VAL A 99 4.020 8.816 6.025 1.00 0.20 H new ATOM 0 HG21 VAL A 99 3.873 11.836 6.638 1.00 0.15 H new ATOM 0 HG22 VAL A 99 3.572 10.569 7.851 1.00 0.15 H new ATOM 0 HG23 VAL A 99 4.806 11.815 8.154 1.00 0.15 H new ATOM 1504 N GLU A 100 7.831 10.692 8.797 1.00 0.16 N ATOM 1505 CA GLU A 100 8.456 11.518 9.823 1.00 0.18 C ATOM 1506 C GLU A 100 8.636 12.951 9.332 1.00 0.19 C ATOM 1507 O GLU A 100 9.117 13.184 8.222 1.00 0.22 O ATOM 1508 CB GLU A 100 9.810 10.931 10.229 1.00 0.24 C ATOM 1509 CG GLU A 100 9.713 9.865 11.307 1.00 0.35 C ATOM 1510 CD GLU A 100 11.003 9.086 11.474 1.00 0.89 C ATOM 1511 OE1 GLU A 100 11.847 9.133 10.554 1.00 2.13 O ATOM 1512 OE2 GLU A 100 11.169 8.428 12.522 1.00 1.70 O ATOM 0 H GLU A 100 8.430 10.487 7.997 1.00 0.16 H new ATOM 0 HA GLU A 100 7.799 11.530 10.693 1.00 0.18 H new ATOM 0 HB2 GLU A 100 10.289 10.503 9.349 1.00 0.24 H new ATOM 0 HB3 GLU A 100 10.454 11.736 10.583 1.00 0.24 H new ATOM 0 HG2 GLU A 100 9.451 10.335 12.255 1.00 0.35 H new ATOM 0 HG3 GLU A 100 8.906 9.176 11.059 1.00 0.35 H new ATOM 1519 N THR A 101 8.246 13.911 10.166 1.00 0.21 N ATOM 1520 CA THR A 101 8.363 15.320 9.817 1.00 0.25 C ATOM 1521 C THR A 101 9.697 15.893 10.284 1.00 0.43 C ATOM 1522 O THR A 101 10.314 16.698 9.587 1.00 1.22 O ATOM 1523 CB THR A 101 7.218 16.147 10.432 1.00 0.36 C ATOM 1524 OG1 THR A 101 7.405 16.269 11.846 1.00 0.76 O ATOM 1525 CG2 THR A 101 5.871 15.502 10.147 1.00 0.74 C ATOM 0 H THR A 101 7.846 13.737 11.088 1.00 0.21 H new ATOM 0 HA THR A 101 8.304 15.383 8.730 1.00 0.25 H new ATOM 0 HB THR A 101 7.232 17.138 9.978 1.00 0.36 H new ATOM 0 HG1 THR A 101 6.674 16.797 12.228 1.00 0.76 H new ATOM 0 HG21 THR A 101 5.078 16.104 10.591 1.00 0.74 H new ATOM 0 HG22 THR A 101 5.718 15.439 9.070 1.00 0.74 H new ATOM 0 HG23 THR A 101 5.849 14.500 10.576 1.00 0.74 H new ATOM 1533 N ALA A 102 10.134 15.475 11.466 1.00 0.51 N ATOM 1534 CA ALA A 102 11.395 15.945 12.024 1.00 0.44 C ATOM 1535 C ALA A 102 12.518 14.945 11.763 1.00 0.45 C ATOM 1536 O ALA A 102 13.353 14.695 12.631 1.00 0.50 O ATOM 1537 CB ALA A 102 11.250 16.198 13.518 1.00 0.54 C ATOM 0 H ALA A 102 9.633 14.811 12.056 1.00 0.51 H new ATOM 0 HA ALA A 102 11.655 16.882 11.531 1.00 0.44 H new ATOM 0 HB1 ALA A 102 12.200 16.549 13.922 1.00 0.54 H new ATOM 0 HB2 ALA A 102 10.483 16.954 13.686 1.00 0.54 H new ATOM 0 HB3 ALA A 102 10.963 15.273 14.018 1.00 0.54 H new ATOM 1543 N VAL A 103 12.530 14.379 10.560 1.00 0.44 N ATOM 1544 CA VAL A 103 13.551 13.407 10.185 1.00 0.47 C ATOM 1545 C VAL A 103 13.865 13.489 8.695 1.00 0.45 C ATOM 1546 O VAL A 103 13.007 13.843 7.888 1.00 0.42 O ATOM 1547 CB VAL A 103 13.111 11.971 10.526 1.00 0.54 C ATOM 1548 CG1 VAL A 103 14.248 10.990 10.278 1.00 0.64 C ATOM 1549 CG2 VAL A 103 12.631 11.889 11.967 1.00 0.47 C ATOM 0 H VAL A 103 11.846 14.576 9.830 1.00 0.44 H new ATOM 0 HA VAL A 103 14.446 13.651 10.757 1.00 0.47 H new ATOM 0 HB VAL A 103 12.281 11.700 9.874 1.00 0.54 H new ATOM 0 HG11 VAL A 103 13.918 9.981 10.525 1.00 0.64 H new ATOM 0 HG12 VAL A 103 14.541 11.030 9.229 1.00 0.64 H new ATOM 0 HG13 VAL A 103 15.101 11.256 10.903 1.00 0.64 H new ATOM 0 HG21 VAL A 103 12.324 10.867 12.191 1.00 0.47 H new ATOM 0 HG22 VAL A 103 13.440 12.180 12.637 1.00 0.47 H new ATOM 0 HG23 VAL A 103 11.784 12.561 12.107 1.00 0.47 H new ATOM 1559 N ASP A 104 15.102 13.161 8.339 1.00 0.49 N ATOM 1560 CA ASP A 104 15.532 13.196 6.946 1.00 0.49 C ATOM 1561 C ASP A 104 14.591 12.379 6.066 1.00 0.43 C ATOM 1562 O ASP A 104 13.708 11.681 6.564 1.00 0.36 O ATOM 1563 CB ASP A 104 16.961 12.666 6.816 1.00 0.54 C ATOM 1564 CG ASP A 104 17.897 13.674 6.180 1.00 0.58 C ATOM 1565 OD1 ASP A 104 17.563 14.192 5.094 1.00 1.71 O ATOM 1566 OD2 ASP A 104 18.964 13.946 6.769 1.00 1.66 O ATOM 0 H ASP A 104 15.825 12.868 8.996 1.00 0.49 H new ATOM 0 HA ASP A 104 15.506 14.233 6.610 1.00 0.49 H new ATOM 0 HB2 ASP A 104 17.337 12.398 7.803 1.00 0.54 H new ATOM 0 HB3 ASP A 104 16.954 11.754 6.219 1.00 0.54 H new ATOM 1571 N ASN A 105 14.785 12.470 4.755 1.00 0.50 N ATOM 1572 CA ASN A 105 13.953 11.740 3.805 1.00 0.47 C ATOM 1573 C ASN A 105 14.126 10.233 3.977 1.00 0.42 C ATOM 1574 O ASN A 105 13.179 9.524 4.313 1.00 0.37 O ATOM 1575 CB ASN A 105 14.302 12.145 2.371 1.00 0.55 C ATOM 1576 CG ASN A 105 14.259 13.648 2.169 1.00 1.28 C ATOM 1577 OD1 ASN A 105 15.160 14.230 1.567 1.00 2.15 O ATOM 1578 ND2 ASN A 105 13.205 14.282 2.671 1.00 2.30 N ATOM 0 H ASN A 105 15.512 13.043 4.325 1.00 0.50 H new ATOM 0 HA ASN A 105 12.912 11.994 4.003 1.00 0.47 H new ATOM 0 HB2 ASN A 105 15.297 11.776 2.124 1.00 0.55 H new ATOM 0 HB3 ASN A 105 13.605 11.668 1.682 1.00 0.55 H new ATOM 0 HD21 ASN A 105 13.119 15.293 2.564 1.00 2.30 H new ATOM 0 HD22 ASN A 105 12.481 13.758 3.163 1.00 2.30 H new ATOM 1585 N ASN A 106 15.343 9.753 3.742 1.00 0.52 N ATOM 1586 CA ASN A 106 15.640 8.331 3.870 1.00 0.52 C ATOM 1587 C ASN A 106 15.504 7.875 5.320 1.00 0.46 C ATOM 1588 O ASN A 106 14.523 7.229 5.689 1.00 0.40 O ATOM 1589 CB ASN A 106 17.054 8.037 3.364 1.00 0.62 C ATOM 1590 CG ASN A 106 17.090 7.774 1.871 1.00 0.77 C ATOM 1591 OD1 ASN A 106 16.618 6.738 1.400 1.00 1.22 O ATOM 1592 ND2 ASN A 106 17.650 8.713 1.118 1.00 2.36 N ATOM 0 H ASN A 106 16.138 10.327 3.462 1.00 0.52 H new ATOM 0 HA ASN A 106 14.921 7.779 3.264 1.00 0.52 H new ATOM 0 HB2 ASN A 106 17.703 8.881 3.597 1.00 0.62 H new ATOM 0 HB3 ASN A 106 17.454 7.171 3.893 1.00 0.62 H new ATOM 0 HD21 ASN A 106 17.702 8.592 0.107 1.00 2.36 H new ATOM 0 HD22 ASN A 106 18.028 9.556 1.551 1.00 2.36 H new ATOM 1599 N SER A 107 16.494 8.218 6.139 1.00 0.49 N ATOM 1600 CA SER A 107 16.484 7.841 7.547 1.00 0.46 C ATOM 1601 C SER A 107 16.285 6.337 7.707 1.00 0.46 C ATOM 1602 O SER A 107 16.363 5.582 6.738 1.00 0.50 O ATOM 1603 CB SER A 107 15.382 8.596 8.293 1.00 0.40 C ATOM 1604 OG SER A 107 15.551 8.492 9.696 1.00 2.14 O ATOM 0 H SER A 107 17.312 8.756 5.852 1.00 0.49 H new ATOM 0 HA SER A 107 17.450 8.109 7.975 1.00 0.46 H new ATOM 0 HB2 SER A 107 15.393 9.646 7.999 1.00 0.40 H new ATOM 0 HB3 SER A 107 14.408 8.196 8.010 1.00 0.40 H new ATOM 0 HG SER A 107 16.234 9.130 9.991 1.00 2.14 H new ATOM 1610 N LYS A 108 16.026 5.908 8.938 1.00 0.44 N ATOM 1611 CA LYS A 108 15.812 4.495 9.227 1.00 0.46 C ATOM 1612 C LYS A 108 14.388 4.076 8.873 1.00 0.41 C ATOM 1613 O LYS A 108 14.043 2.897 8.942 1.00 0.45 O ATOM 1614 CB LYS A 108 16.086 4.209 10.705 1.00 0.49 C ATOM 1615 CG LYS A 108 15.283 5.083 11.653 1.00 0.44 C ATOM 1616 CD LYS A 108 16.185 5.822 12.628 1.00 0.87 C ATOM 1617 CE LYS A 108 15.378 6.672 13.598 1.00 1.41 C ATOM 1618 NZ LYS A 108 16.229 7.236 14.682 1.00 1.71 N ATOM 0 H LYS A 108 15.959 6.519 9.752 1.00 0.44 H new ATOM 0 HA LYS A 108 16.505 3.916 8.616 1.00 0.46 H new ATOM 0 HB2 LYS A 108 15.862 3.162 10.911 1.00 0.49 H new ATOM 0 HB3 LYS A 108 17.148 4.353 10.903 1.00 0.49 H new ATOM 0 HG2 LYS A 108 14.699 5.802 11.079 1.00 0.44 H new ATOM 0 HG3 LYS A 108 14.575 4.466 12.207 1.00 0.44 H new ATOM 0 HD2 LYS A 108 16.786 5.104 13.185 1.00 0.87 H new ATOM 0 HD3 LYS A 108 16.878 6.457 12.075 1.00 0.87 H new ATOM 0 HE2 LYS A 108 14.896 7.485 13.054 1.00 1.41 H new ATOM 0 HE3 LYS A 108 14.584 6.068 14.037 1.00 1.41 H new ATOM 0 HZ1 LYS A 108 15.642 7.809 15.322 1.00 1.71 H new ATOM 0 HZ2 LYS A 108 16.669 6.460 15.217 1.00 1.71 H new ATOM 0 HZ3 LYS A 108 16.971 7.834 14.265 1.00 1.71 H new ATOM 1632 N VAL A 109 13.568 5.049 8.490 1.00 0.33 N ATOM 1633 CA VAL A 109 12.184 4.779 8.123 1.00 0.30 C ATOM 1634 C VAL A 109 11.757 5.628 6.929 1.00 0.26 C ATOM 1635 O VAL A 109 12.207 6.763 6.766 1.00 0.27 O ATOM 1636 CB VAL A 109 11.226 5.053 9.299 1.00 0.27 C ATOM 1637 CG1 VAL A 109 11.814 4.522 10.598 1.00 0.39 C ATOM 1638 CG2 VAL A 109 10.926 6.540 9.407 1.00 0.17 C ATOM 0 H VAL A 109 13.838 6.030 8.426 1.00 0.33 H new ATOM 0 HA VAL A 109 12.128 3.724 7.856 1.00 0.30 H new ATOM 0 HB VAL A 109 10.288 4.531 9.112 1.00 0.27 H new ATOM 0 HG11 VAL A 109 11.125 4.724 11.418 1.00 0.39 H new ATOM 0 HG12 VAL A 109 11.972 3.447 10.513 1.00 0.39 H new ATOM 0 HG13 VAL A 109 12.766 5.015 10.794 1.00 0.39 H new ATOM 0 HG21 VAL A 109 10.248 6.715 10.243 1.00 0.17 H new ATOM 0 HG22 VAL A 109 11.854 7.087 9.572 1.00 0.17 H new ATOM 0 HG23 VAL A 109 10.460 6.885 8.484 1.00 0.17 H new ATOM 1648 N LYS A 110 10.887 5.070 6.094 1.00 0.26 N ATOM 1649 CA LYS A 110 10.398 5.774 4.915 1.00 0.25 C ATOM 1650 C LYS A 110 9.531 6.965 5.313 1.00 0.22 C ATOM 1651 O LYS A 110 8.460 6.800 5.895 1.00 0.27 O ATOM 1652 CB LYS A 110 9.596 4.822 4.023 1.00 0.31 C ATOM 1653 CG LYS A 110 9.863 5.007 2.540 1.00 0.80 C ATOM 1654 CD LYS A 110 11.277 4.590 2.171 1.00 1.39 C ATOM 1655 CE LYS A 110 11.496 3.103 2.399 1.00 1.83 C ATOM 1656 NZ LYS A 110 12.717 2.609 1.704 1.00 2.39 N ATOM 0 H LYS A 110 10.506 4.131 6.212 1.00 0.26 H new ATOM 0 HA LYS A 110 11.260 6.143 4.360 1.00 0.25 H new ATOM 0 HB2 LYS A 110 9.830 3.794 4.300 1.00 0.31 H new ATOM 0 HB3 LYS A 110 8.533 4.969 4.213 1.00 0.31 H new ATOM 0 HG2 LYS A 110 9.148 4.419 1.965 1.00 0.80 H new ATOM 0 HG3 LYS A 110 9.708 6.051 2.269 1.00 0.80 H new ATOM 0 HD2 LYS A 110 11.467 4.831 1.125 1.00 1.39 H new ATOM 0 HD3 LYS A 110 11.992 5.160 2.765 1.00 1.39 H new ATOM 0 HE2 LYS A 110 11.583 2.908 3.468 1.00 1.83 H new ATOM 0 HE3 LYS A 110 10.627 2.549 2.044 1.00 1.83 H new ATOM 0 HZ1 LYS A 110 12.785 1.577 1.813 1.00 2.39 H new ATOM 0 HZ2 LYS A 110 12.661 2.847 0.693 1.00 2.39 H new ATOM 0 HZ3 LYS A 110 13.558 3.057 2.120 1.00 2.39 H new ATOM 1670 N THR A 111 10.003 8.167 4.992 1.00 0.18 N ATOM 1671 CA THR A 111 9.272 9.385 5.315 1.00 0.15 C ATOM 1672 C THR A 111 8.306 9.760 4.197 1.00 0.15 C ATOM 1673 O THR A 111 8.216 9.067 3.184 1.00 0.17 O ATOM 1674 CB THR A 111 10.230 10.564 5.569 1.00 0.16 C ATOM 1675 OG1 THR A 111 10.960 10.869 4.374 1.00 0.23 O ATOM 1676 CG2 THR A 111 11.201 10.240 6.694 1.00 0.21 C ATOM 0 H THR A 111 10.888 8.322 4.509 1.00 0.18 H new ATOM 0 HA THR A 111 8.707 9.183 6.225 1.00 0.15 H new ATOM 0 HB THR A 111 9.636 11.430 5.862 1.00 0.16 H new ATOM 0 HG1 THR A 111 11.651 10.190 4.231 1.00 0.23 H new ATOM 0 HG21 THR A 111 11.867 11.088 6.855 1.00 0.21 H new ATOM 0 HG22 THR A 111 10.644 10.038 7.609 1.00 0.21 H new ATOM 0 HG23 THR A 111 11.789 9.362 6.426 1.00 0.21 H new ATOM 1684 N ALA A 112 7.588 10.861 4.388 1.00 0.14 N ATOM 1685 CA ALA A 112 6.630 11.330 3.393 1.00 0.16 C ATOM 1686 C ALA A 112 7.311 11.582 2.052 1.00 0.17 C ATOM 1687 O ALA A 112 6.882 11.066 1.020 1.00 0.18 O ATOM 1688 CB ALA A 112 5.938 12.594 3.882 1.00 0.17 C ATOM 0 H ALA A 112 7.651 11.445 5.222 1.00 0.14 H new ATOM 0 HA ALA A 112 5.881 10.551 3.250 1.00 0.16 H new ATOM 0 HB1 ALA A 112 5.226 12.933 3.130 1.00 0.17 H new ATOM 0 HB2 ALA A 112 5.410 12.383 4.812 1.00 0.17 H new ATOM 0 HB3 ALA A 112 6.681 13.372 4.055 1.00 0.17 H new ATOM 1694 N SER A 113 8.374 12.379 2.074 1.00 0.18 N ATOM 1695 CA SER A 113 9.112 12.704 0.858 1.00 0.21 C ATOM 1696 C SER A 113 9.673 11.443 0.210 1.00 0.20 C ATOM 1697 O SER A 113 9.504 11.216 -0.987 1.00 0.21 O ATOM 1698 CB SER A 113 10.248 13.679 1.171 1.00 0.25 C ATOM 1699 OG SER A 113 9.880 14.574 2.206 1.00 0.27 O ATOM 0 H SER A 113 8.744 12.812 2.920 1.00 0.18 H new ATOM 0 HA SER A 113 8.421 13.175 0.158 1.00 0.21 H new ATOM 0 HB2 SER A 113 11.138 13.123 1.466 1.00 0.25 H new ATOM 0 HB3 SER A 113 10.506 14.242 0.274 1.00 0.25 H new ATOM 0 HG SER A 113 10.623 15.186 2.389 1.00 0.27 H new ATOM 1705 N LYS A 114 10.343 10.621 1.012 1.00 0.20 N ATOM 1706 CA LYS A 114 10.929 9.380 0.521 1.00 0.22 C ATOM 1707 C LYS A 114 9.862 8.481 -0.096 1.00 0.20 C ATOM 1708 O LYS A 114 10.071 7.888 -1.156 1.00 0.21 O ATOM 1709 CB LYS A 114 11.638 8.641 1.658 1.00 0.24 C ATOM 1710 CG LYS A 114 12.952 8.003 1.241 1.00 0.43 C ATOM 1711 CD LYS A 114 12.765 7.051 0.072 1.00 0.64 C ATOM 1712 CE LYS A 114 13.857 5.993 0.032 1.00 1.26 C ATOM 1713 NZ LYS A 114 13.587 4.955 -1.000 1.00 2.31 N ATOM 0 H LYS A 114 10.493 10.793 2.006 1.00 0.20 H new ATOM 0 HA LYS A 114 11.657 9.632 -0.250 1.00 0.22 H new ATOM 0 HB2 LYS A 114 11.825 9.340 2.473 1.00 0.24 H new ATOM 0 HB3 LYS A 114 10.975 7.868 2.047 1.00 0.24 H new ATOM 0 HG2 LYS A 114 13.664 8.781 0.967 1.00 0.43 H new ATOM 0 HG3 LYS A 114 13.379 7.463 2.086 1.00 0.43 H new ATOM 0 HD2 LYS A 114 11.791 6.567 0.148 1.00 0.64 H new ATOM 0 HD3 LYS A 114 12.769 7.614 -0.861 1.00 0.64 H new ATOM 0 HE2 LYS A 114 14.816 6.469 -0.174 1.00 1.26 H new ATOM 0 HE3 LYS A 114 13.940 5.519 1.010 1.00 1.26 H new ATOM 0 HZ1 LYS A 114 14.354 4.253 -0.995 1.00 2.31 H new ATOM 0 HZ2 LYS A 114 12.684 4.483 -0.790 1.00 2.31 H new ATOM 0 HZ3 LYS A 114 13.534 5.403 -1.937 1.00 2.31 H new ATOM 1727 N LEU A 115 8.718 8.385 0.571 1.00 0.21 N ATOM 1728 CA LEU A 115 7.616 7.559 0.088 1.00 0.21 C ATOM 1729 C LEU A 115 7.155 8.020 -1.290 1.00 0.20 C ATOM 1730 O LEU A 115 7.117 7.234 -2.237 1.00 0.23 O ATOM 1731 CB LEU A 115 6.447 7.606 1.072 1.00 0.21 C ATOM 1732 CG LEU A 115 5.263 6.693 0.753 1.00 0.25 C ATOM 1733 CD1 LEU A 115 4.367 7.329 -0.298 1.00 0.30 C ATOM 1734 CD2 LEU A 115 5.752 5.331 0.285 1.00 0.28 C ATOM 0 H LEU A 115 8.528 8.869 1.449 1.00 0.21 H new ATOM 0 HA LEU A 115 7.972 6.532 0.007 1.00 0.21 H new ATOM 0 HB2 LEU A 115 6.822 7.349 2.063 1.00 0.21 H new ATOM 0 HB3 LEU A 115 6.084 8.632 1.125 1.00 0.21 H new ATOM 0 HG LEU A 115 4.679 6.555 1.663 1.00 0.25 H new ATOM 0 HD11 LEU A 115 3.530 6.665 -0.512 1.00 0.30 H new ATOM 0 HD12 LEU A 115 3.989 8.281 0.074 1.00 0.30 H new ATOM 0 HD13 LEU A 115 4.939 7.497 -1.210 1.00 0.30 H new ATOM 0 HD21 LEU A 115 4.896 4.694 0.062 1.00 0.28 H new ATOM 0 HD22 LEU A 115 6.358 5.451 -0.613 1.00 0.28 H new ATOM 0 HD23 LEU A 115 6.352 4.871 1.070 1.00 0.28 H new ATOM 1746 N CYS A 116 6.808 9.298 -1.396 1.00 0.18 N ATOM 1747 CA CYS A 116 6.350 9.864 -2.659 1.00 0.19 C ATOM 1748 C CYS A 116 7.401 9.684 -3.749 1.00 0.20 C ATOM 1749 O CYS A 116 7.097 9.223 -4.848 1.00 0.24 O ATOM 1750 CB CYS A 116 6.025 11.349 -2.488 1.00 0.19 C ATOM 1751 SG CYS A 116 4.811 11.696 -1.194 1.00 0.18 S ATOM 0 H CYS A 116 6.835 9.962 -0.622 1.00 0.18 H new ATOM 0 HA CYS A 116 5.447 9.333 -2.960 1.00 0.19 H new ATOM 0 HB2 CYS A 116 6.945 11.887 -2.261 1.00 0.19 H new ATOM 0 HB3 CYS A 116 5.652 11.740 -3.435 1.00 0.19 H new ATOM 0 HG CYS A 116 5.358 11.522 -0.028 1.00 0.18 H new ATOM 1757 N SER A 117 8.639 10.051 -3.436 1.00 0.18 N ATOM 1758 CA SER A 117 9.736 9.934 -4.390 1.00 0.20 C ATOM 1759 C SER A 117 9.906 8.489 -4.848 1.00 0.19 C ATOM 1760 O SER A 117 10.061 8.218 -6.038 1.00 0.20 O ATOM 1761 CB SER A 117 11.039 10.439 -3.767 1.00 0.25 C ATOM 1762 OG SER A 117 11.701 11.342 -4.636 1.00 0.32 O ATOM 0 H SER A 117 8.908 10.432 -2.529 1.00 0.18 H new ATOM 0 HA SER A 117 9.495 10.547 -5.259 1.00 0.20 H new ATOM 0 HB2 SER A 117 10.826 10.932 -2.818 1.00 0.25 H new ATOM 0 HB3 SER A 117 11.693 9.595 -3.548 1.00 0.25 H new ATOM 0 HG SER A 117 12.530 11.652 -4.215 1.00 0.32 H new ATOM 1768 N ALA A 118 9.876 7.565 -3.893 1.00 0.20 N ATOM 1769 CA ALA A 118 10.025 6.146 -4.199 1.00 0.23 C ATOM 1770 C ALA A 118 8.901 5.659 -5.107 1.00 0.21 C ATOM 1771 O ALA A 118 9.145 4.974 -6.101 1.00 0.28 O ATOM 1772 CB ALA A 118 10.058 5.331 -2.914 1.00 0.27 C ATOM 0 H ALA A 118 9.750 7.772 -2.902 1.00 0.20 H new ATOM 0 HA ALA A 118 10.968 6.010 -4.728 1.00 0.23 H new ATOM 0 HB1 ALA A 118 10.169 4.274 -3.156 1.00 0.27 H new ATOM 0 HB2 ALA A 118 10.899 5.653 -2.300 1.00 0.27 H new ATOM 0 HB3 ALA A 118 9.129 5.481 -2.364 1.00 0.27 H new ATOM 1778 N LEU A 119 7.669 6.018 -4.762 1.00 0.18 N ATOM 1779 CA LEU A 119 6.507 5.616 -5.546 1.00 0.18 C ATOM 1780 C LEU A 119 6.601 6.152 -6.972 1.00 0.20 C ATOM 1781 O LEU A 119 6.452 5.405 -7.940 1.00 0.25 O ATOM 1782 CB LEU A 119 5.223 6.117 -4.885 1.00 0.17 C ATOM 1783 CG LEU A 119 3.929 5.431 -5.326 1.00 0.27 C ATOM 1784 CD1 LEU A 119 4.030 3.927 -5.132 1.00 0.38 C ATOM 1785 CD2 LEU A 119 2.740 5.992 -4.558 1.00 0.23 C ATOM 0 H LEU A 119 7.449 6.587 -3.944 1.00 0.18 H new ATOM 0 HA LEU A 119 6.486 4.527 -5.587 1.00 0.18 H new ATOM 0 HB2 LEU A 119 5.324 5.999 -3.806 1.00 0.17 H new ATOM 0 HB3 LEU A 119 5.130 7.185 -5.082 1.00 0.17 H new ATOM 0 HG LEU A 119 3.777 5.630 -6.387 1.00 0.27 H new ATOM 0 HD11 LEU A 119 3.100 3.456 -5.451 1.00 0.38 H new ATOM 0 HD12 LEU A 119 4.857 3.538 -5.727 1.00 0.38 H new ATOM 0 HD13 LEU A 119 4.206 3.707 -4.079 1.00 0.38 H new ATOM 0 HD21 LEU A 119 1.828 5.493 -4.884 1.00 0.23 H new ATOM 0 HD22 LEU A 119 2.884 5.824 -3.491 1.00 0.23 H new ATOM 0 HD23 LEU A 119 2.656 7.062 -4.748 1.00 0.23 H new ATOM 1797 N THR A 120 6.853 7.452 -7.095 1.00 0.18 N ATOM 1798 CA THR A 120 6.968 8.087 -8.400 1.00 0.21 C ATOM 1799 C THR A 120 8.190 7.577 -9.156 1.00 0.25 C ATOM 1800 O THR A 120 8.223 7.590 -10.387 1.00 0.35 O ATOM 1801 CB THR A 120 7.062 9.621 -8.273 1.00 0.22 C ATOM 1802 OG1 THR A 120 5.876 10.135 -7.657 1.00 0.21 O ATOM 1803 CG2 THR A 120 7.252 10.267 -9.637 1.00 0.26 C ATOM 0 H THR A 120 6.981 8.085 -6.305 1.00 0.18 H new ATOM 0 HA THR A 120 6.066 7.829 -8.956 1.00 0.21 H new ATOM 0 HB THR A 120 7.926 9.860 -7.653 1.00 0.22 H new ATOM 0 HG1 THR A 120 5.940 10.030 -6.685 1.00 0.21 H new ATOM 0 HG21 THR A 120 7.316 11.349 -9.521 1.00 0.26 H new ATOM 0 HG22 THR A 120 8.171 9.896 -10.090 1.00 0.26 H new ATOM 0 HG23 THR A 120 6.406 10.020 -10.278 1.00 0.26 H new ATOM 1811 N LEU A 121 9.193 7.126 -8.411 1.00 0.23 N ATOM 1812 CA LEU A 121 10.419 6.609 -9.010 1.00 0.26 C ATOM 1813 C LEU A 121 10.276 5.127 -9.350 1.00 0.26 C ATOM 1814 O LEU A 121 11.085 4.570 -10.089 1.00 0.31 O ATOM 1815 CB LEU A 121 11.600 6.812 -8.061 1.00 0.34 C ATOM 1816 CG LEU A 121 12.187 8.224 -8.013 1.00 0.44 C ATOM 1817 CD1 LEU A 121 13.140 8.366 -6.837 1.00 0.55 C ATOM 1818 CD2 LEU A 121 12.894 8.552 -9.320 1.00 0.51 C ATOM 0 H LEU A 121 9.182 7.108 -7.391 1.00 0.23 H new ATOM 0 HA LEU A 121 10.603 7.160 -9.932 1.00 0.26 H new ATOM 0 HB2 LEU A 121 11.283 6.537 -7.055 1.00 0.34 H new ATOM 0 HB3 LEU A 121 12.393 6.120 -8.346 1.00 0.34 H new ATOM 0 HG LEU A 121 11.370 8.933 -7.878 1.00 0.44 H new ATOM 0 HD11 LEU A 121 13.548 9.377 -6.819 1.00 0.55 H new ATOM 0 HD12 LEU A 121 12.603 8.175 -5.908 1.00 0.55 H new ATOM 0 HD13 LEU A 121 13.954 7.648 -6.940 1.00 0.55 H new ATOM 0 HD21 LEU A 121 13.305 9.560 -9.268 1.00 0.51 H new ATOM 0 HD22 LEU A 121 13.701 7.839 -9.486 1.00 0.51 H new ATOM 0 HD23 LEU A 121 12.182 8.493 -10.143 1.00 0.51 H new ATOM 1830 N SER A 122 9.237 4.498 -8.807 1.00 0.27 N ATOM 1831 CA SER A 122 8.989 3.083 -9.052 1.00 0.37 C ATOM 1832 C SER A 122 8.271 2.880 -10.382 1.00 0.44 C ATOM 1833 O SER A 122 7.923 1.757 -10.748 1.00 0.57 O ATOM 1834 CB SER A 122 8.158 2.486 -7.914 1.00 0.46 C ATOM 1835 OG SER A 122 6.771 2.612 -8.174 1.00 2.53 O ATOM 0 H SER A 122 8.555 4.946 -8.195 1.00 0.27 H new ATOM 0 HA SER A 122 9.951 2.572 -9.097 1.00 0.37 H new ATOM 0 HB2 SER A 122 8.413 1.434 -7.787 1.00 0.46 H new ATOM 0 HB3 SER A 122 8.403 2.989 -6.978 1.00 0.46 H new ATOM 0 HG SER A 122 6.516 3.558 -8.139 1.00 2.53 H new ATOM 1841 N GLY A 123 8.052 3.975 -11.103 1.00 0.40 N ATOM 1842 CA GLY A 123 7.377 3.897 -12.384 1.00 0.52 C ATOM 1843 C GLY A 123 5.968 4.456 -12.334 1.00 0.52 C ATOM 1844 O GLY A 123 5.290 4.546 -13.357 1.00 0.79 O ATOM 0 H GLY A 123 8.330 4.915 -10.822 1.00 0.40 H new ATOM 0 HA2 GLY A 123 7.955 4.444 -13.129 1.00 0.52 H new ATOM 0 HA3 GLY A 123 7.340 2.857 -12.709 1.00 0.52 H new ATOM 1848 N LEU A 124 5.526 4.831 -11.138 1.00 0.28 N ATOM 1849 CA LEU A 124 4.188 5.382 -10.956 1.00 0.26 C ATOM 1850 C LEU A 124 4.188 6.892 -11.169 1.00 0.26 C ATOM 1851 O LEU A 124 5.243 7.514 -11.285 1.00 0.28 O ATOM 1852 CB LEU A 124 3.665 5.053 -9.557 1.00 0.26 C ATOM 1853 CG LEU A 124 2.352 4.270 -9.497 1.00 0.33 C ATOM 1854 CD1 LEU A 124 2.436 3.021 -10.360 1.00 0.37 C ATOM 1855 CD2 LEU A 124 2.014 3.905 -8.059 1.00 0.38 C ATOM 0 H LEU A 124 6.075 4.763 -10.281 1.00 0.28 H new ATOM 0 HA LEU A 124 3.531 4.929 -11.698 1.00 0.26 H new ATOM 0 HB2 LEU A 124 4.430 4.482 -9.030 1.00 0.26 H new ATOM 0 HB3 LEU A 124 3.533 5.987 -9.012 1.00 0.26 H new ATOM 0 HG LEU A 124 1.555 4.903 -9.887 1.00 0.33 H new ATOM 0 HD11 LEU A 124 1.493 2.477 -10.305 1.00 0.37 H new ATOM 0 HD12 LEU A 124 2.631 3.306 -11.394 1.00 0.37 H new ATOM 0 HD13 LEU A 124 3.244 2.384 -10.000 1.00 0.37 H new ATOM 0 HD21 LEU A 124 1.077 3.349 -8.035 1.00 0.38 H new ATOM 0 HD22 LEU A 124 2.812 3.290 -7.643 1.00 0.38 H new ATOM 0 HD23 LEU A 124 1.911 4.815 -7.467 1.00 0.38 H new ATOM 1867 N VAL A 125 2.995 7.478 -11.216 1.00 0.26 N ATOM 1868 CA VAL A 125 2.857 8.917 -11.412 1.00 0.27 C ATOM 1869 C VAL A 125 1.630 9.455 -10.686 1.00 0.22 C ATOM 1870 O VAL A 125 0.812 8.688 -10.178 1.00 0.19 O ATOM 1871 CB VAL A 125 2.753 9.273 -12.907 1.00 0.33 C ATOM 1872 CG1 VAL A 125 4.044 8.923 -13.631 1.00 0.40 C ATOM 1873 CG2 VAL A 125 1.567 8.562 -13.541 1.00 0.34 C ATOM 0 H VAL A 125 2.111 6.979 -11.121 1.00 0.26 H new ATOM 0 HA VAL A 125 3.753 9.380 -10.998 1.00 0.27 H new ATOM 0 HB VAL A 125 2.595 10.348 -12.997 1.00 0.33 H new ATOM 0 HG11 VAL A 125 3.951 9.182 -14.686 1.00 0.40 H new ATOM 0 HG12 VAL A 125 4.870 9.482 -13.192 1.00 0.40 H new ATOM 0 HG13 VAL A 125 4.237 7.854 -13.535 1.00 0.40 H new ATOM 0 HG21 VAL A 125 1.508 8.824 -14.597 1.00 0.34 H new ATOM 0 HG22 VAL A 125 1.693 7.484 -13.441 1.00 0.34 H new ATOM 0 HG23 VAL A 125 0.649 8.868 -13.039 1.00 0.34 H new ATOM 1883 N GLU A 126 1.508 10.777 -10.640 1.00 0.23 N ATOM 1884 CA GLU A 126 0.380 11.418 -9.975 1.00 0.21 C ATOM 1885 C GLU A 126 0.231 10.909 -8.544 1.00 0.17 C ATOM 1886 O GLU A 126 -0.874 10.611 -8.091 1.00 0.18 O ATOM 1887 CB GLU A 126 -0.912 11.164 -10.755 1.00 0.26 C ATOM 1888 CG GLU A 126 -0.743 11.261 -12.262 1.00 0.32 C ATOM 1889 CD GLU A 126 -1.842 12.068 -12.921 1.00 0.80 C ATOM 1890 OE1 GLU A 126 -2.973 11.547 -13.036 1.00 1.68 O ATOM 1891 OE2 GLU A 126 -1.575 13.219 -13.324 1.00 2.10 O ATOM 0 H GLU A 126 2.177 11.426 -11.055 1.00 0.23 H new ATOM 0 HA GLU A 126 0.572 12.490 -9.943 1.00 0.21 H new ATOM 0 HB2 GLU A 126 -1.289 10.173 -10.503 1.00 0.26 H new ATOM 0 HB3 GLU A 126 -1.666 11.883 -10.436 1.00 0.26 H new ATOM 0 HG2 GLU A 126 0.222 11.716 -12.487 1.00 0.32 H new ATOM 0 HG3 GLU A 126 -0.729 10.258 -12.688 1.00 0.32 H new ATOM 1898 N VAL A 127 1.353 10.810 -7.837 1.00 0.15 N ATOM 1899 CA VAL A 127 1.349 10.336 -6.458 1.00 0.16 C ATOM 1900 C VAL A 127 0.974 11.457 -5.496 1.00 0.21 C ATOM 1901 O VAL A 127 1.410 12.599 -5.652 1.00 0.30 O ATOM 1902 CB VAL A 127 2.723 9.766 -6.057 1.00 0.25 C ATOM 1903 CG1 VAL A 127 2.712 9.326 -4.601 1.00 0.30 C ATOM 1904 CG2 VAL A 127 3.107 8.612 -6.969 1.00 0.29 C ATOM 0 H VAL A 127 2.276 11.052 -8.197 1.00 0.15 H new ATOM 0 HA VAL A 127 0.604 9.543 -6.396 1.00 0.16 H new ATOM 0 HB VAL A 127 3.471 10.551 -6.169 1.00 0.25 H new ATOM 0 HG11 VAL A 127 3.690 8.926 -4.334 1.00 0.30 H new ATOM 0 HG12 VAL A 127 2.484 10.181 -3.964 1.00 0.30 H new ATOM 0 HG13 VAL A 127 1.954 8.556 -4.459 1.00 0.30 H new ATOM 0 HG21 VAL A 127 4.080 8.221 -6.672 1.00 0.29 H new ATOM 0 HG22 VAL A 127 2.360 7.822 -6.891 1.00 0.29 H new ATOM 0 HG23 VAL A 127 3.157 8.964 -8.000 1.00 0.29 H new ATOM 1914 N LYS A 128 0.164 11.125 -4.496 1.00 0.19 N ATOM 1915 CA LYS A 128 -0.269 12.101 -3.503 1.00 0.27 C ATOM 1916 C LYS A 128 -0.988 11.419 -2.346 1.00 0.23 C ATOM 1917 O LYS A 128 -1.426 10.275 -2.463 1.00 0.19 O ATOM 1918 CB LYS A 128 -1.191 13.140 -4.148 1.00 0.35 C ATOM 1919 CG LYS A 128 -2.565 12.599 -4.499 1.00 0.35 C ATOM 1920 CD LYS A 128 -2.882 12.792 -5.973 1.00 0.96 C ATOM 1921 CE LYS A 128 -3.547 11.559 -6.565 1.00 1.18 C ATOM 1922 NZ LYS A 128 -4.936 11.843 -7.021 1.00 1.85 N ATOM 0 H LYS A 128 -0.206 10.186 -4.352 1.00 0.19 H new ATOM 0 HA LYS A 128 0.617 12.601 -3.112 1.00 0.27 H new ATOM 0 HB2 LYS A 128 -1.305 13.984 -3.468 1.00 0.35 H new ATOM 0 HB3 LYS A 128 -0.718 13.521 -5.053 1.00 0.35 H new ATOM 0 HG2 LYS A 128 -2.613 11.539 -4.252 1.00 0.35 H new ATOM 0 HG3 LYS A 128 -3.320 13.102 -3.895 1.00 0.35 H new ATOM 0 HD2 LYS A 128 -3.537 13.655 -6.096 1.00 0.96 H new ATOM 0 HD3 LYS A 128 -1.964 13.009 -6.519 1.00 0.96 H new ATOM 0 HE2 LYS A 128 -2.956 11.196 -7.406 1.00 1.18 H new ATOM 0 HE3 LYS A 128 -3.565 10.763 -5.820 1.00 1.18 H new ATOM 0 HZ1 LYS A 128 -5.355 10.978 -7.418 1.00 1.85 H new ATOM 0 HZ2 LYS A 128 -5.507 12.165 -6.214 1.00 1.85 H new ATOM 0 HZ3 LYS A 128 -4.917 12.585 -7.750 1.00 1.85 H new ATOM 1936 N GLU A 129 -1.108 12.128 -1.227 1.00 0.26 N ATOM 1937 CA GLU A 129 -1.775 11.587 -0.049 1.00 0.23 C ATOM 1938 C GLU A 129 -3.291 11.678 -0.192 1.00 0.22 C ATOM 1939 O GLU A 129 -3.814 12.622 -0.787 1.00 0.26 O ATOM 1940 CB GLU A 129 -1.325 12.337 1.208 1.00 0.26 C ATOM 1941 CG GLU A 129 -2.294 12.211 2.371 1.00 0.23 C ATOM 1942 CD GLU A 129 -1.755 12.828 3.648 1.00 1.19 C ATOM 1943 OE1 GLU A 129 -0.573 13.231 3.660 1.00 2.54 O ATOM 1944 OE2 GLU A 129 -2.516 12.906 4.634 1.00 2.09 O ATOM 0 H GLU A 129 -0.752 13.077 -1.112 1.00 0.26 H new ATOM 0 HA GLU A 129 -1.498 10.537 0.043 1.00 0.23 H new ATOM 0 HB2 GLU A 129 -0.350 11.960 1.516 1.00 0.26 H new ATOM 0 HB3 GLU A 129 -1.197 13.392 0.965 1.00 0.26 H new ATOM 0 HG2 GLU A 129 -3.236 12.693 2.108 1.00 0.23 H new ATOM 0 HG3 GLU A 129 -2.512 11.157 2.545 1.00 0.23 H new ATOM 1951 N LEU A 130 -3.991 10.691 0.355 1.00 0.18 N ATOM 1952 CA LEU A 130 -5.448 10.658 0.289 1.00 0.18 C ATOM 1953 C LEU A 130 -6.064 11.059 1.626 1.00 0.18 C ATOM 1954 O LEU A 130 -7.097 11.727 1.668 1.00 0.22 O ATOM 1955 CB LEU A 130 -5.929 9.262 -0.109 1.00 0.16 C ATOM 1956 CG LEU A 130 -5.196 8.609 -1.281 1.00 0.15 C ATOM 1957 CD1 LEU A 130 -3.948 7.887 -0.796 1.00 0.14 C ATOM 1958 CD2 LEU A 130 -6.118 7.647 -2.018 1.00 0.15 C ATOM 0 H LEU A 130 -3.573 9.903 0.849 1.00 0.18 H new ATOM 0 HA LEU A 130 -5.769 11.375 -0.467 1.00 0.18 H new ATOM 0 HB2 LEU A 130 -5.841 8.608 0.759 1.00 0.16 H new ATOM 0 HB3 LEU A 130 -6.989 9.322 -0.357 1.00 0.16 H new ATOM 0 HG LEU A 130 -4.891 9.392 -1.975 1.00 0.15 H new ATOM 0 HD11 LEU A 130 -3.440 7.429 -1.644 1.00 0.14 H new ATOM 0 HD12 LEU A 130 -3.279 8.600 -0.314 1.00 0.14 H new ATOM 0 HD13 LEU A 130 -4.230 7.114 -0.081 1.00 0.14 H new ATOM 0 HD21 LEU A 130 -5.579 7.192 -2.849 1.00 0.15 H new ATOM 0 HD22 LEU A 130 -6.454 6.868 -1.333 1.00 0.15 H new ATOM 0 HD23 LEU A 130 -6.981 8.191 -2.400 1.00 0.15 H new ATOM 1970 N GLN A 131 -5.421 10.649 2.714 1.00 0.16 N ATOM 1971 CA GLN A 131 -5.905 10.966 4.052 1.00 0.16 C ATOM 1972 C GLN A 131 -4.772 10.900 5.071 1.00 0.15 C ATOM 1973 O GLN A 131 -3.642 10.545 4.736 1.00 0.16 O ATOM 1974 CB GLN A 131 -7.024 10.003 4.454 1.00 0.19 C ATOM 1975 CG GLN A 131 -6.531 8.609 4.807 1.00 0.21 C ATOM 1976 CD GLN A 131 -7.310 7.518 4.102 1.00 0.38 C ATOM 1977 OE1 GLN A 131 -7.400 7.614 2.780 1.00 1.12 O flip ATOM 1978 NE2 GLN A 131 -7.827 6.597 4.737 1.00 0.56 N flip ATOM 0 H GLN A 131 -4.564 10.097 2.695 1.00 0.16 H new ATOM 0 HA GLN A 131 -6.297 11.983 4.037 1.00 0.16 H new ATOM 0 HB2 GLN A 131 -7.559 10.417 5.309 1.00 0.19 H new ATOM 0 HB3 GLN A 131 -7.740 9.929 3.635 1.00 0.19 H new ATOM 0 HG2 GLN A 131 -5.476 8.524 4.545 1.00 0.21 H new ATOM 0 HG3 GLN A 131 -6.605 8.464 5.885 1.00 0.21 H new ATOM 0 HE21 GLN A 131 -7.733 6.562 5.752 1.00 0.56 H new ATOM 0 HE22 GLN A 131 -8.349 5.870 4.247 1.00 0.56 H new ATOM 1987 N ARG A 132 -5.082 11.246 6.316 1.00 0.16 N ATOM 1988 CA ARG A 132 -4.089 11.228 7.384 1.00 0.19 C ATOM 1989 C ARG A 132 -4.624 10.499 8.611 1.00 0.24 C ATOM 1990 O ARG A 132 -5.777 10.683 9.002 1.00 0.50 O ATOM 1991 CB ARG A 132 -3.842 12.720 7.725 1.00 0.26 C ATOM 1992 CG ARG A 132 -3.089 12.993 9.028 1.00 1.02 C ATOM 1993 CD ARG A 132 -3.983 13.295 10.236 1.00 1.78 C ATOM 1994 NE ARG A 132 -3.167 13.541 11.433 1.00 2.67 N ATOM 1995 CZ ARG A 132 -3.637 13.632 12.690 1.00 3.57 C ATOM 1996 NH1 ARG A 132 -4.943 13.478 12.964 1.00 4.01 N ATOM 1997 NH2 ARG A 132 -2.782 13.888 13.689 1.00 4.45 N ATOM 0 H ARG A 132 -6.013 11.542 6.610 1.00 0.16 H new ATOM 0 HA ARG A 132 -3.179 10.710 7.079 1.00 0.19 H new ATOM 0 HB2 ARG A 132 -3.285 13.172 6.905 1.00 0.26 H new ATOM 0 HB3 ARG A 132 -4.806 13.226 7.773 1.00 0.26 H new ATOM 0 HG2 ARG A 132 -2.468 12.128 9.261 1.00 1.02 H new ATOM 0 HG3 ARG A 132 -2.416 13.836 8.872 1.00 1.02 H new ATOM 0 HD2 ARG A 132 -4.604 14.166 10.027 1.00 1.78 H new ATOM 0 HD3 ARG A 132 -4.658 12.458 10.415 1.00 1.78 H new ATOM 0 HE ARG A 132 -2.162 13.652 11.300 1.00 2.67 H new ATOM 0 HH11 ARG A 132 -5.603 13.287 12.210 1.00 4.01 H new ATOM 0 HH12 ARG A 132 -5.274 13.552 13.926 1.00 4.01 H new ATOM 0 HH21 ARG A 132 -1.789 14.011 13.491 1.00 4.45 H new ATOM 0 HH22 ARG A 132 -3.124 13.960 14.647 1.00 4.45 H new ATOM 2011 N GLU A 133 -3.780 9.668 9.216 1.00 0.14 N ATOM 2012 CA GLU A 133 -4.168 8.910 10.399 1.00 0.13 C ATOM 2013 C GLU A 133 -3.205 9.170 11.554 1.00 0.14 C ATOM 2014 O GLU A 133 -1.988 9.226 11.379 1.00 0.15 O ATOM 2015 CB GLU A 133 -4.210 7.413 10.082 1.00 0.13 C ATOM 2016 CG GLU A 133 -3.921 6.529 11.282 1.00 0.13 C ATOM 2017 CD GLU A 133 -4.019 5.052 10.956 1.00 0.15 C ATOM 2018 OE1 GLU A 133 -5.099 4.614 10.504 1.00 1.38 O ATOM 2019 OE2 GLU A 133 -3.018 4.332 11.151 1.00 1.35 O ATOM 0 H GLU A 133 -2.823 9.503 8.905 1.00 0.14 H new ATOM 0 HA GLU A 133 -5.163 9.239 10.699 1.00 0.13 H new ATOM 0 HB2 GLU A 133 -5.193 7.162 9.685 1.00 0.13 H new ATOM 0 HB3 GLU A 133 -3.484 7.196 9.298 1.00 0.13 H new ATOM 0 HG2 GLU A 133 -2.922 6.749 11.658 1.00 0.13 H new ATOM 0 HG3 GLU A 133 -4.622 6.768 12.082 1.00 0.13 H new ATOM 2026 N PRO A 134 -3.761 9.333 12.763 1.00 0.16 N ATOM 2027 CA PRO A 134 -2.972 9.590 13.970 1.00 0.19 C ATOM 2028 C PRO A 134 -2.158 8.374 14.400 1.00 0.19 C ATOM 2029 O PRO A 134 -2.401 7.256 13.940 1.00 0.24 O ATOM 2030 CB PRO A 134 -4.030 9.924 15.024 1.00 0.22 C ATOM 2031 CG PRO A 134 -5.268 9.244 14.547 1.00 0.21 C ATOM 2032 CD PRO A 134 -5.207 9.279 13.045 1.00 0.17 C ATOM 0 HA PRO A 134 -2.240 10.383 13.816 1.00 0.19 H new ATOM 0 HB2 PRO A 134 -3.735 9.563 16.009 1.00 0.22 H new ATOM 0 HB3 PRO A 134 -4.178 11.001 15.110 1.00 0.22 H new ATOM 0 HG2 PRO A 134 -5.315 8.218 14.912 1.00 0.21 H new ATOM 0 HG3 PRO A 134 -6.159 9.754 14.913 1.00 0.21 H new ATOM 0 HD2 PRO A 134 -5.670 8.396 12.603 1.00 0.17 H new ATOM 0 HD3 PRO A 134 -5.728 10.148 12.642 1.00 0.17 H new ATOM 2040 N LEU A 135 -1.193 8.596 15.285 1.00 0.16 N ATOM 2041 CA LEU A 135 -0.345 7.517 15.778 1.00 0.16 C ATOM 2042 C LEU A 135 -0.827 7.022 17.137 1.00 0.19 C ATOM 2043 O LEU A 135 -1.006 7.807 18.069 1.00 0.27 O ATOM 2044 CB LEU A 135 1.107 7.990 15.882 1.00 0.17 C ATOM 2045 CG LEU A 135 2.140 7.161 15.117 1.00 0.15 C ATOM 2046 CD1 LEU A 135 2.007 5.688 15.469 1.00 0.15 C ATOM 2047 CD2 LEU A 135 1.986 7.369 13.618 1.00 0.15 C ATOM 0 H LEU A 135 -0.978 9.513 15.676 1.00 0.16 H new ATOM 0 HA LEU A 135 -0.403 6.691 15.069 1.00 0.16 H new ATOM 0 HB2 LEU A 135 1.159 9.018 15.525 1.00 0.17 H new ATOM 0 HB3 LEU A 135 1.389 8.003 16.935 1.00 0.17 H new ATOM 0 HG LEU A 135 3.135 7.495 15.409 1.00 0.15 H new ATOM 0 HD11 LEU A 135 2.750 5.113 14.916 1.00 0.15 H new ATOM 0 HD12 LEU A 135 2.167 5.554 16.539 1.00 0.15 H new ATOM 0 HD13 LEU A 135 1.008 5.340 15.205 1.00 0.15 H new ATOM 0 HD21 LEU A 135 2.729 6.772 13.090 1.00 0.15 H new ATOM 0 HD22 LEU A 135 0.987 7.062 13.309 1.00 0.15 H new ATOM 0 HD23 LEU A 135 2.132 8.423 13.380 1.00 0.15 H new ATOM 2059 N THR A 136 -1.035 5.713 17.244 1.00 0.23 N ATOM 2060 CA THR A 136 -1.496 5.112 18.490 1.00 0.25 C ATOM 2061 C THR A 136 -0.362 4.384 19.203 1.00 0.24 C ATOM 2062 O THR A 136 0.662 4.049 18.609 1.00 0.23 O ATOM 2063 CB THR A 136 -2.650 4.123 18.242 1.00 0.29 C ATOM 2064 OG1 THR A 136 -2.179 2.777 18.377 1.00 1.44 O ATOM 2065 CG2 THR A 136 -3.245 4.321 16.856 1.00 1.56 C ATOM 0 H THR A 136 -0.892 5.049 16.483 1.00 0.23 H new ATOM 0 HA THR A 136 -1.853 5.926 19.120 1.00 0.25 H new ATOM 0 HB THR A 136 -3.427 4.312 18.983 1.00 0.29 H new ATOM 0 HG1 THR A 136 -2.907 2.154 18.172 1.00 1.44 H new ATOM 0 HG21 THR A 136 -4.058 3.611 16.704 1.00 1.56 H new ATOM 0 HG22 THR A 136 -3.629 5.337 16.767 1.00 1.56 H new ATOM 0 HG23 THR A 136 -2.475 4.157 16.103 1.00 1.56 H new ATOM 2073 N PRO A 137 -0.546 4.133 20.507 1.00 0.27 N ATOM 2074 CA PRO A 137 0.451 3.442 21.329 1.00 0.28 C ATOM 2075 C PRO A 137 0.581 1.968 20.964 1.00 0.29 C ATOM 2076 O PRO A 137 1.620 1.351 21.196 1.00 0.32 O ATOM 2077 CB PRO A 137 -0.094 3.593 22.752 1.00 0.31 C ATOM 2078 CG PRO A 137 -1.563 3.765 22.578 1.00 0.32 C ATOM 2079 CD PRO A 137 -1.743 4.506 21.281 1.00 0.30 C ATOM 0 HA PRO A 137 1.449 3.859 21.194 1.00 0.28 H new ATOM 0 HB2 PRO A 137 0.133 2.716 23.358 1.00 0.31 H new ATOM 0 HB3 PRO A 137 0.348 4.452 23.256 1.00 0.31 H new ATOM 0 HG2 PRO A 137 -2.068 2.800 22.549 1.00 0.32 H new ATOM 0 HG3 PRO A 137 -1.992 4.324 23.410 1.00 0.32 H new ATOM 0 HD2 PRO A 137 -2.660 4.208 20.772 1.00 0.30 H new ATOM 0 HD3 PRO A 137 -1.801 5.583 21.438 1.00 0.30 H new ATOM 2087 N GLU A 138 -0.481 1.408 20.391 1.00 0.29 N ATOM 2088 CA GLU A 138 -0.483 0.005 19.994 1.00 0.33 C ATOM 2089 C GLU A 138 0.116 -0.168 18.602 1.00 0.30 C ATOM 2090 O GLU A 138 0.579 -1.251 18.244 1.00 0.30 O ATOM 2091 CB GLU A 138 -1.907 -0.554 20.021 1.00 0.39 C ATOM 2092 CG GLU A 138 -2.496 -0.654 21.419 1.00 0.47 C ATOM 2093 CD GLU A 138 -2.040 -1.899 22.155 1.00 1.39 C ATOM 2094 OE1 GLU A 138 -1.353 -2.738 21.533 1.00 2.58 O ATOM 2095 OE2 GLU A 138 -2.368 -2.035 23.351 1.00 2.22 O ATOM 0 H GLU A 138 -1.350 1.904 20.192 1.00 0.29 H new ATOM 0 HA GLU A 138 0.130 -0.548 20.706 1.00 0.33 H new ATOM 0 HB2 GLU A 138 -2.549 0.081 19.410 1.00 0.39 H new ATOM 0 HB3 GLU A 138 -1.909 -1.543 19.564 1.00 0.39 H new ATOM 0 HG2 GLU A 138 -2.212 0.228 21.993 1.00 0.47 H new ATOM 0 HG3 GLU A 138 -3.584 -0.654 21.352 1.00 0.47 H new ATOM 2102 N GLU A 139 0.104 0.908 17.820 1.00 0.27 N ATOM 2103 CA GLU A 139 0.646 0.875 16.468 1.00 0.25 C ATOM 2104 C GLU A 139 2.139 1.187 16.470 1.00 0.22 C ATOM 2105 O GLU A 139 2.943 0.436 15.917 1.00 0.21 O ATOM 2106 CB GLU A 139 -0.092 1.874 15.574 1.00 0.25 C ATOM 2107 CG GLU A 139 -1.571 1.565 15.406 1.00 0.33 C ATOM 2108 CD GLU A 139 -1.846 0.077 15.301 1.00 1.16 C ATOM 2109 OE1 GLU A 139 -1.134 -0.606 14.534 1.00 2.41 O ATOM 2110 OE2 GLU A 139 -2.772 -0.406 15.985 1.00 1.89 O ATOM 0 H GLU A 139 -0.275 1.812 18.101 1.00 0.27 H new ATOM 0 HA GLU A 139 0.504 -0.131 16.073 1.00 0.25 H new ATOM 0 HB2 GLU A 139 0.016 2.874 15.995 1.00 0.25 H new ATOM 0 HB3 GLU A 139 0.381 1.888 14.592 1.00 0.25 H new ATOM 0 HG2 GLU A 139 -2.123 1.974 16.252 1.00 0.33 H new ATOM 0 HG3 GLU A 139 -1.944 2.064 14.511 1.00 0.33 H new ATOM 2117 N VAL A 140 2.505 2.300 17.098 1.00 0.21 N ATOM 2118 CA VAL A 140 3.900 2.712 17.175 1.00 0.20 C ATOM 2119 C VAL A 140 4.787 1.565 17.650 1.00 0.21 C ATOM 2120 O VAL A 140 5.893 1.373 17.144 1.00 0.20 O ATOM 2121 CB VAL A 140 4.082 3.911 18.124 1.00 0.21 C ATOM 2122 CG1 VAL A 140 3.532 3.587 19.505 1.00 0.25 C ATOM 2123 CG2 VAL A 140 5.547 4.310 18.206 1.00 0.21 C ATOM 0 H VAL A 140 1.853 2.933 17.561 1.00 0.21 H new ATOM 0 HA VAL A 140 4.197 3.007 16.168 1.00 0.20 H new ATOM 0 HB VAL A 140 3.521 4.756 17.724 1.00 0.21 H new ATOM 0 HG11 VAL A 140 3.669 4.446 20.162 1.00 0.25 H new ATOM 0 HG12 VAL A 140 2.470 3.355 19.428 1.00 0.25 H new ATOM 0 HG13 VAL A 140 4.062 2.728 19.915 1.00 0.25 H new ATOM 0 HG21 VAL A 140 5.656 5.159 18.881 1.00 0.21 H new ATOM 0 HG22 VAL A 140 6.132 3.471 18.581 1.00 0.21 H new ATOM 0 HG23 VAL A 140 5.905 4.587 17.214 1.00 0.21 H new ATOM 2133 N GLN A 141 4.293 0.805 18.622 1.00 0.25 N ATOM 2134 CA GLN A 141 5.039 -0.322 19.163 1.00 0.27 C ATOM 2135 C GLN A 141 5.171 -1.436 18.131 1.00 0.25 C ATOM 2136 O GLN A 141 6.175 -2.148 18.095 1.00 0.26 O ATOM 2137 CB GLN A 141 4.354 -0.858 20.422 1.00 0.32 C ATOM 2138 CG GLN A 141 2.935 -1.345 20.181 1.00 0.35 C ATOM 2139 CD GLN A 141 2.778 -2.833 20.426 1.00 0.42 C ATOM 2140 OE1 GLN A 141 3.210 -3.640 19.463 1.00 1.13 O flip ATOM 2141 NE2 GLN A 141 2.275 -3.252 21.469 1.00 0.68 N flip ATOM 0 H GLN A 141 3.379 0.950 19.050 1.00 0.25 H new ATOM 0 HA GLN A 141 6.038 0.029 19.421 1.00 0.27 H new ATOM 0 HB2 GLN A 141 4.947 -1.678 20.827 1.00 0.32 H new ATOM 0 HB3 GLN A 141 4.337 -0.073 21.178 1.00 0.32 H new ATOM 0 HG2 GLN A 141 2.252 -0.800 20.833 1.00 0.35 H new ATOM 0 HG3 GLN A 141 2.646 -1.117 19.155 1.00 0.35 H new ATOM 0 HE21 GLN A 141 1.957 -2.595 22.182 1.00 0.68 H new ATOM 0 HE22 GLN A 141 2.176 -4.256 21.620 1.00 0.68 H new ATOM 2150 N SER A 142 4.152 -1.580 17.290 1.00 0.24 N ATOM 2151 CA SER A 142 4.151 -2.609 16.257 1.00 0.24 C ATOM 2152 C SER A 142 5.176 -2.292 15.173 1.00 0.20 C ATOM 2153 O SER A 142 5.944 -3.159 14.755 1.00 0.22 O ATOM 2154 CB SER A 142 2.759 -2.740 15.637 1.00 0.26 C ATOM 2155 OG SER A 142 2.738 -2.221 14.318 1.00 0.25 O ATOM 0 H SER A 142 3.316 -0.996 17.304 1.00 0.24 H new ATOM 0 HA SER A 142 4.423 -3.556 16.723 1.00 0.24 H new ATOM 0 HB2 SER A 142 2.460 -3.788 15.624 1.00 0.26 H new ATOM 0 HB3 SER A 142 2.032 -2.209 16.252 1.00 0.26 H new ATOM 0 HG SER A 142 2.807 -1.244 14.350 1.00 0.25 H new ATOM 2161 N VAL A 143 5.181 -1.043 14.721 1.00 0.17 N ATOM 2162 CA VAL A 143 6.110 -0.607 13.686 1.00 0.15 C ATOM 2163 C VAL A 143 7.544 -0.594 14.205 1.00 0.15 C ATOM 2164 O VAL A 143 8.491 -0.802 13.446 1.00 0.17 O ATOM 2165 CB VAL A 143 5.752 0.797 13.162 1.00 0.13 C ATOM 2166 CG1 VAL A 143 5.808 1.817 14.289 1.00 0.13 C ATOM 2167 CG2 VAL A 143 6.682 1.195 12.025 1.00 0.14 C ATOM 0 H VAL A 143 4.551 -0.314 15.056 1.00 0.17 H new ATOM 0 HA VAL A 143 6.029 -1.322 12.867 1.00 0.15 H new ATOM 0 HB VAL A 143 4.733 0.773 12.776 1.00 0.13 H new ATOM 0 HG11 VAL A 143 5.552 2.803 13.901 1.00 0.13 H new ATOM 0 HG12 VAL A 143 5.098 1.538 15.068 1.00 0.13 H new ATOM 0 HG13 VAL A 143 6.814 1.842 14.708 1.00 0.13 H new ATOM 0 HG21 VAL A 143 6.415 2.189 11.667 1.00 0.14 H new ATOM 0 HG22 VAL A 143 7.712 1.203 12.383 1.00 0.14 H new ATOM 0 HG23 VAL A 143 6.587 0.478 11.209 1.00 0.14 H new ATOM 2177 N ARG A 144 7.694 -0.349 15.501 1.00 0.17 N ATOM 2178 CA ARG A 144 9.013 -0.307 16.124 1.00 0.20 C ATOM 2179 C ARG A 144 9.563 -1.716 16.324 1.00 0.22 C ATOM 2180 O ARG A 144 10.772 -1.936 16.252 1.00 0.26 O ATOM 2181 CB ARG A 144 8.891 0.343 17.519 1.00 0.23 C ATOM 2182 CG ARG A 144 10.245 0.494 18.234 1.00 0.29 C ATOM 2183 CD ARG A 144 10.068 1.028 19.661 1.00 0.79 C ATOM 2184 NE ARG A 144 11.366 1.221 20.328 1.00 1.00 N ATOM 2185 CZ ARG A 144 12.136 0.252 20.859 1.00 1.30 C ATOM 2186 NH1 ARG A 144 11.763 -1.039 20.847 1.00 2.50 N ATOM 2187 NH2 ARG A 144 13.308 0.580 21.419 1.00 1.31 N ATOM 0 H ARG A 144 6.919 -0.176 16.142 1.00 0.17 H new ATOM 0 HA ARG A 144 9.679 0.261 15.474 1.00 0.20 H new ATOM 0 HB2 ARG A 144 8.429 1.325 17.417 1.00 0.23 H new ATOM 0 HB3 ARG A 144 8.225 -0.259 18.137 1.00 0.23 H new ATOM 0 HG2 ARG A 144 10.751 -0.471 18.265 1.00 0.29 H new ATOM 0 HG3 ARG A 144 10.884 1.171 17.667 1.00 0.29 H new ATOM 0 HD2 ARG A 144 9.528 1.974 19.632 1.00 0.79 H new ATOM 0 HD3 ARG A 144 9.460 0.332 20.239 1.00 0.79 H new ATOM 0 HE ARG A 144 11.715 2.177 20.394 1.00 1.00 H new ATOM 0 HH11 ARG A 144 10.874 -1.309 20.427 1.00 2.50 H new ATOM 0 HH12 ARG A 144 12.369 -1.749 21.258 1.00 2.50 H new ATOM 0 HH21 ARG A 144 13.608 1.555 21.440 1.00 1.31 H new ATOM 0 HH22 ARG A 144 13.900 -0.145 21.825 1.00 1.31 H new ATOM 2201 N GLU A 145 8.668 -2.668 16.575 1.00 0.23 N ATOM 2202 CA GLU A 145 9.066 -4.054 16.787 1.00 0.26 C ATOM 2203 C GLU A 145 9.104 -4.817 15.466 1.00 0.24 C ATOM 2204 O GLU A 145 9.749 -5.860 15.357 1.00 0.26 O ATOM 2205 CB GLU A 145 8.104 -4.741 17.757 1.00 0.28 C ATOM 2206 CG GLU A 145 8.381 -4.423 19.217 1.00 0.32 C ATOM 2207 CD GLU A 145 9.721 -4.958 19.686 1.00 0.38 C ATOM 2208 OE1 GLU A 145 9.857 -6.193 19.807 1.00 1.71 O ATOM 2209 OE2 GLU A 145 10.633 -4.142 19.932 1.00 1.74 O ATOM 0 H GLU A 145 7.663 -2.504 16.636 1.00 0.23 H new ATOM 0 HA GLU A 145 10.068 -4.056 17.217 1.00 0.26 H new ATOM 0 HB2 GLU A 145 7.084 -4.442 17.516 1.00 0.28 H new ATOM 0 HB3 GLU A 145 8.163 -5.820 17.611 1.00 0.28 H new ATOM 0 HG2 GLU A 145 8.354 -3.343 19.361 1.00 0.32 H new ATOM 0 HG3 GLU A 145 7.589 -4.847 19.834 1.00 0.32 H new ATOM 2216 N HIS A 146 8.408 -4.289 14.464 1.00 0.22 N ATOM 2217 CA HIS A 146 8.362 -4.919 13.149 1.00 0.23 C ATOM 2218 C HIS A 146 9.418 -4.322 12.222 1.00 0.24 C ATOM 2219 O HIS A 146 9.964 -5.012 11.361 1.00 0.27 O ATOM 2220 CB HIS A 146 6.974 -4.755 12.531 1.00 0.23 C ATOM 2221 CG HIS A 146 5.933 -5.634 13.155 1.00 0.24 C ATOM 2222 ND1 HIS A 146 5.749 -6.013 14.441 1.00 0.26 N flip ATOM 2223 CD2 HIS A 146 4.925 -6.238 12.432 1.00 0.25 C flip ATOM 2224 CE1 HIS A 146 4.644 -6.828 14.472 1.00 0.28 C flip ATOM 2225 NE2 HIS A 146 4.166 -6.948 13.247 1.00 0.27 N flip ATOM 0 H HIS A 146 7.868 -3.427 14.537 1.00 0.22 H new ATOM 0 HA HIS A 146 8.573 -5.981 13.275 1.00 0.23 H new ATOM 0 HB2 HIS A 146 6.664 -3.714 12.626 1.00 0.23 H new ATOM 0 HB3 HIS A 146 7.032 -4.974 11.465 1.00 0.23 H new ATOM 0 HD1 HIS A 146 6.324 -5.743 15.239 1.00 0.26 H new ATOM 0 HD2 HIS A 146 4.779 -6.145 11.366 1.00 0.25 H new ATOM 0 HE1 HIS A 146 4.233 -7.295 15.355 1.00 0.28 H new ATOM 2233 N LEU A 147 9.699 -3.037 12.406 1.00 0.22 N ATOM 2234 CA LEU A 147 10.690 -2.346 11.586 1.00 0.25 C ATOM 2235 C LEU A 147 11.717 -1.632 12.459 1.00 0.26 C ATOM 2236 O LEU A 147 12.921 -1.841 12.315 1.00 0.30 O ATOM 2237 CB LEU A 147 10.002 -1.341 10.661 1.00 0.24 C ATOM 2238 CG LEU A 147 8.955 -1.914 9.706 1.00 0.25 C ATOM 2239 CD1 LEU A 147 7.554 -1.541 10.163 1.00 0.23 C ATOM 2240 CD2 LEU A 147 9.203 -1.424 8.286 1.00 0.31 C ATOM 0 H LEU A 147 9.256 -2.452 13.115 1.00 0.22 H new ATOM 0 HA LEU A 147 11.210 -3.090 10.982 1.00 0.25 H new ATOM 0 HB2 LEU A 147 9.524 -0.579 11.277 1.00 0.24 H new ATOM 0 HB3 LEU A 147 10.768 -0.839 10.070 1.00 0.24 H new ATOM 0 HG LEU A 147 9.040 -3.001 9.714 1.00 0.25 H new ATOM 0 HD11 LEU A 147 6.822 -1.958 9.471 1.00 0.23 H new ATOM 0 HD12 LEU A 147 7.378 -1.942 11.161 1.00 0.23 H new ATOM 0 HD13 LEU A 147 7.455 -0.456 10.185 1.00 0.23 H new ATOM 0 HD21 LEU A 147 8.448 -1.842 7.620 1.00 0.31 H new ATOM 0 HD22 LEU A 147 9.146 -0.336 8.261 1.00 0.31 H new ATOM 0 HD23 LEU A 147 10.193 -1.743 7.959 1.00 0.31 H new ATOM 2252 N GLY A 148 11.232 -0.789 13.366 1.00 0.24 N ATOM 2253 CA GLY A 148 12.121 -0.060 14.251 1.00 0.27 C ATOM 2254 C GLY A 148 11.787 1.417 14.319 1.00 0.26 C ATOM 2255 O GLY A 148 12.544 2.207 14.885 1.00 0.29 O ATOM 0 H GLY A 148 10.239 -0.598 13.503 1.00 0.24 H new ATOM 0 HA2 GLY A 148 12.065 -0.489 15.252 1.00 0.27 H new ATOM 0 HA3 GLY A 148 13.149 -0.182 13.910 1.00 0.27 H new ATOM 2259 N HIS A 149 10.652 1.792 13.738 1.00 0.24 N ATOM 2260 CA HIS A 149 10.219 3.186 13.735 1.00 0.22 C ATOM 2261 C HIS A 149 9.797 3.627 15.134 1.00 0.24 C ATOM 2262 O HIS A 149 8.889 3.050 15.729 1.00 0.26 O ATOM 2263 CB HIS A 149 9.061 3.380 12.756 1.00 0.22 C ATOM 2264 CG HIS A 149 8.795 4.814 12.419 1.00 0.30 C ATOM 2265 ND1 HIS A 149 7.833 5.209 11.514 1.00 0.62 N ATOM 2266 CD2 HIS A 149 9.370 5.952 12.875 1.00 0.22 C ATOM 2267 CE1 HIS A 149 7.830 6.529 11.425 1.00 0.64 C ATOM 2268 NE2 HIS A 149 8.753 7.002 12.242 1.00 0.35 N ATOM 0 H HIS A 149 10.016 1.151 13.264 1.00 0.24 H new ATOM 0 HA HIS A 149 11.061 3.801 13.417 1.00 0.22 H new ATOM 0 HB2 HIS A 149 9.277 2.834 11.838 1.00 0.22 H new ATOM 0 HB3 HIS A 149 8.158 2.942 13.182 1.00 0.22 H new ATOM 0 HD1 HIS A 149 7.219 4.582 10.994 1.00 0.62 H new ATOM 0 HD2 HIS A 149 10.166 6.021 13.602 1.00 0.22 H new ATOM 0 HE1 HIS A 149 7.183 7.119 10.792 1.00 0.64 H new ATOM 2276 N GLU A 150 10.465 4.654 15.650 1.00 0.27 N ATOM 2277 CA GLU A 150 10.160 5.171 16.979 1.00 0.33 C ATOM 2278 C GLU A 150 10.519 6.650 17.083 1.00 0.35 C ATOM 2279 O GLU A 150 11.692 7.011 17.180 1.00 0.45 O ATOM 2280 CB GLU A 150 10.917 4.376 18.046 1.00 0.41 C ATOM 2281 CG GLU A 150 10.846 4.996 19.431 1.00 0.65 C ATOM 2282 CD GLU A 150 12.050 5.865 19.742 1.00 1.27 C ATOM 2283 OE1 GLU A 150 13.180 5.452 19.408 1.00 2.24 O ATOM 2284 OE2 GLU A 150 11.862 6.955 20.321 1.00 2.21 O ATOM 0 H GLU A 150 11.220 5.144 15.169 1.00 0.27 H new ATOM 0 HA GLU A 150 9.088 5.062 17.146 1.00 0.33 H new ATOM 0 HB2 GLU A 150 10.513 3.365 18.089 1.00 0.41 H new ATOM 0 HB3 GLU A 150 11.962 4.289 17.749 1.00 0.41 H new ATOM 0 HG2 GLU A 150 9.939 5.595 19.511 1.00 0.65 H new ATOM 0 HG3 GLU A 150 10.771 4.204 20.176 1.00 0.65 H new ATOM 2291 N SER A 151 9.499 7.504 17.061 1.00 0.29 N ATOM 2292 CA SER A 151 9.706 8.945 17.147 1.00 0.32 C ATOM 2293 C SER A 151 8.420 9.653 17.564 1.00 0.28 C ATOM 2294 O SER A 151 7.353 9.041 17.626 1.00 0.29 O ATOM 2295 CB SER A 151 10.192 9.493 15.805 1.00 0.32 C ATOM 2296 OG SER A 151 10.547 10.861 15.912 1.00 0.67 O ATOM 0 H SER A 151 8.522 7.222 16.984 1.00 0.29 H new ATOM 0 HA SER A 151 10.467 9.134 17.904 1.00 0.32 H new ATOM 0 HB2 SER A 151 11.051 8.917 15.463 1.00 0.32 H new ATOM 0 HB3 SER A 151 9.410 9.374 15.055 1.00 0.32 H new ATOM 0 HG SER A 151 10.856 11.188 15.041 1.00 0.67 H new ATOM 2302 N ASP A 152 8.531 10.946 17.850 1.00 0.32 N ATOM 2303 CA ASP A 152 7.379 11.740 18.260 1.00 0.31 C ATOM 2304 C ASP A 152 6.924 12.661 17.132 1.00 0.23 C ATOM 2305 O ASP A 152 5.880 13.304 17.224 1.00 0.26 O ATOM 2306 CB ASP A 152 7.716 12.564 19.503 1.00 0.44 C ATOM 2307 CG ASP A 152 8.417 13.864 19.163 1.00 0.48 C ATOM 2308 OD1 ASP A 152 9.627 13.823 18.860 1.00 1.87 O ATOM 2309 OD2 ASP A 152 7.756 14.922 19.200 1.00 1.71 O ATOM 0 H ASP A 152 9.407 11.466 17.805 1.00 0.32 H new ATOM 0 HA ASP A 152 6.564 11.056 18.497 1.00 0.31 H new ATOM 0 HB2 ASP A 152 6.799 12.782 20.051 1.00 0.44 H new ATOM 0 HB3 ASP A 152 8.351 11.975 20.165 1.00 0.44 H new ATOM 2314 N ASN A 153 7.717 12.719 16.066 1.00 0.25 N ATOM 2315 CA ASN A 153 7.398 13.563 14.920 1.00 0.25 C ATOM 2316 C ASN A 153 6.840 12.730 13.770 1.00 0.21 C ATOM 2317 O ASN A 153 6.713 13.213 12.644 1.00 0.25 O ATOM 2318 CB ASN A 153 8.642 14.323 14.458 1.00 0.37 C ATOM 2319 CG ASN A 153 9.536 14.728 15.614 1.00 0.97 C ATOM 2320 OD1 ASN A 153 10.649 14.221 15.760 1.00 2.95 O ATOM 2321 ND2 ASN A 153 9.052 15.645 16.444 1.00 1.33 N ATOM 0 H ASN A 153 8.585 12.191 15.972 1.00 0.25 H new ATOM 0 HA ASN A 153 6.637 14.280 15.229 1.00 0.25 H new ATOM 0 HB2 ASN A 153 9.208 13.700 13.765 1.00 0.37 H new ATOM 0 HB3 ASN A 153 8.337 15.214 13.909 1.00 0.37 H new ATOM 0 HD21 ASN A 153 9.608 15.956 17.241 1.00 1.33 H new ATOM 0 HD22 ASN A 153 8.124 16.038 16.285 1.00 1.33 H new ATOM 2328 N LEU A 154 6.506 11.477 14.061 1.00 0.21 N ATOM 2329 CA LEU A 154 5.962 10.576 13.052 1.00 0.19 C ATOM 2330 C LEU A 154 4.449 10.739 12.938 1.00 0.18 C ATOM 2331 O LEU A 154 3.815 11.368 13.787 1.00 0.19 O ATOM 2332 CB LEU A 154 6.306 9.126 13.395 1.00 0.23 C ATOM 2333 CG LEU A 154 6.311 8.771 14.882 1.00 0.27 C ATOM 2334 CD1 LEU A 154 5.026 9.238 15.548 1.00 0.27 C ATOM 2335 CD2 LEU A 154 6.498 7.274 15.073 1.00 0.33 C ATOM 0 H LEU A 154 6.603 11.062 14.988 1.00 0.21 H new ATOM 0 HA LEU A 154 6.411 10.831 12.092 1.00 0.19 H new ATOM 0 HB2 LEU A 154 5.593 8.475 12.889 1.00 0.23 H new ATOM 0 HB3 LEU A 154 7.290 8.900 12.985 1.00 0.23 H new ATOM 0 HG LEU A 154 7.148 9.285 15.354 1.00 0.27 H new ATOM 0 HD11 LEU A 154 5.049 8.976 16.606 1.00 0.27 H new ATOM 0 HD12 LEU A 154 4.934 10.319 15.444 1.00 0.27 H new ATOM 0 HD13 LEU A 154 4.173 8.754 15.073 1.00 0.27 H new ATOM 0 HD21 LEU A 154 6.499 7.040 16.138 1.00 0.33 H new ATOM 0 HD22 LEU A 154 5.682 6.740 14.585 1.00 0.33 H new ATOM 0 HD23 LEU A 154 7.447 6.967 14.633 1.00 0.33 H new ATOM 2347 N LEU A 155 3.876 10.166 11.885 1.00 0.17 N ATOM 2348 CA LEU A 155 2.436 10.245 11.660 1.00 0.15 C ATOM 2349 C LEU A 155 2.018 9.358 10.492 1.00 0.14 C ATOM 2350 O LEU A 155 2.608 9.417 9.412 1.00 0.15 O ATOM 2351 CB LEU A 155 2.021 11.692 11.391 1.00 0.17 C ATOM 2352 CG LEU A 155 0.521 11.980 11.437 1.00 0.19 C ATOM 2353 CD1 LEU A 155 -0.134 11.626 10.111 1.00 0.20 C ATOM 2354 CD2 LEU A 155 -0.135 11.212 12.577 1.00 0.18 C ATOM 0 H LEU A 155 4.386 9.642 11.174 1.00 0.17 H new ATOM 0 HA LEU A 155 1.932 9.890 12.559 1.00 0.15 H new ATOM 0 HB2 LEU A 155 2.516 12.332 12.121 1.00 0.17 H new ATOM 0 HB3 LEU A 155 2.396 11.980 10.409 1.00 0.17 H new ATOM 0 HG LEU A 155 0.382 13.047 11.614 1.00 0.19 H new ATOM 0 HD11 LEU A 155 -1.202 11.838 10.164 1.00 0.20 H new ATOM 0 HD12 LEU A 155 0.314 12.219 9.314 1.00 0.20 H new ATOM 0 HD13 LEU A 155 0.015 10.567 9.903 1.00 0.20 H new ATOM 0 HD21 LEU A 155 -1.203 11.429 12.595 1.00 0.18 H new ATOM 0 HD22 LEU A 155 0.016 10.143 12.429 1.00 0.18 H new ATOM 0 HD23 LEU A 155 0.312 11.514 13.524 1.00 0.18 H new ATOM 2366 N PHE A 156 0.996 8.539 10.715 1.00 0.13 N ATOM 2367 CA PHE A 156 0.498 7.641 9.679 1.00 0.11 C ATOM 2368 C PHE A 156 -0.277 8.412 8.616 1.00 0.11 C ATOM 2369 O PHE A 156 -1.134 9.239 8.934 1.00 0.13 O ATOM 2370 CB PHE A 156 -0.395 6.562 10.297 1.00 0.12 C ATOM 2371 CG PHE A 156 0.373 5.442 10.938 1.00 0.12 C ATOM 2372 CD1 PHE A 156 1.300 4.715 10.209 1.00 1.79 C ATOM 2373 CD2 PHE A 156 0.168 5.115 12.269 1.00 1.76 C ATOM 2374 CE1 PHE A 156 2.008 3.684 10.796 1.00 1.80 C ATOM 2375 CE2 PHE A 156 0.874 4.085 12.862 1.00 1.77 C ATOM 2376 CZ PHE A 156 1.795 3.368 12.124 1.00 0.15 C ATOM 0 H PHE A 156 0.497 8.478 11.602 1.00 0.13 H new ATOM 0 HA PHE A 156 1.355 7.165 9.203 1.00 0.11 H new ATOM 0 HB2 PHE A 156 -1.042 7.022 11.044 1.00 0.12 H new ATOM 0 HB3 PHE A 156 -1.043 6.151 9.523 1.00 0.12 H new ATOM 0 HD1 PHE A 156 1.471 4.957 9.170 1.00 1.79 H new ATOM 0 HD2 PHE A 156 -0.552 5.672 12.850 1.00 1.76 H new ATOM 0 HE1 PHE A 156 2.728 3.125 10.217 1.00 1.80 H new ATOM 0 HE2 PHE A 156 0.706 3.841 13.901 1.00 1.77 H new ATOM 0 HZ PHE A 156 2.348 2.562 12.584 1.00 0.15 H new ATOM 2386 N VAL A 157 0.026 8.135 7.352 1.00 0.12 N ATOM 2387 CA VAL A 157 -0.641 8.803 6.242 1.00 0.14 C ATOM 2388 C VAL A 157 -0.835 7.852 5.066 1.00 0.12 C ATOM 2389 O VAL A 157 0.023 7.018 4.783 1.00 0.17 O ATOM 2390 CB VAL A 157 0.153 10.035 5.767 1.00 0.16 C ATOM 2391 CG1 VAL A 157 -0.451 11.310 6.332 1.00 0.20 C ATOM 2392 CG2 VAL A 157 1.616 9.907 6.159 1.00 0.18 C ATOM 0 H VAL A 157 0.730 7.452 7.071 1.00 0.12 H new ATOM 0 HA VAL A 157 -1.615 9.128 6.608 1.00 0.14 H new ATOM 0 HB VAL A 157 0.095 10.087 4.680 1.00 0.16 H new ATOM 0 HG11 VAL A 157 0.123 12.169 5.986 1.00 0.20 H new ATOM 0 HG12 VAL A 157 -1.483 11.404 5.995 1.00 0.20 H new ATOM 0 HG13 VAL A 157 -0.427 11.273 7.421 1.00 0.20 H new ATOM 0 HG21 VAL A 157 2.163 10.785 5.816 1.00 0.18 H new ATOM 0 HG22 VAL A 157 1.697 9.830 7.243 1.00 0.18 H new ATOM 0 HG23 VAL A 157 2.039 9.014 5.699 1.00 0.18 H new ATOM 2402 N GLN A 158 -1.969 7.985 4.385 1.00 0.14 N ATOM 2403 CA GLN A 158 -2.276 7.137 3.240 1.00 0.13 C ATOM 2404 C GLN A 158 -1.913 7.836 1.934 1.00 0.14 C ATOM 2405 O GLN A 158 -2.328 8.969 1.688 1.00 0.16 O ATOM 2406 CB GLN A 158 -3.760 6.763 3.237 1.00 0.13 C ATOM 2407 CG GLN A 158 -4.116 5.691 2.221 1.00 0.15 C ATOM 2408 CD GLN A 158 -5.345 4.897 2.615 1.00 0.39 C ATOM 2409 OE1 GLN A 158 -5.359 4.225 3.648 1.00 1.62 O ATOM 2410 NE2 GLN A 158 -6.386 4.969 1.794 1.00 1.40 N ATOM 0 H GLN A 158 -2.690 8.672 4.607 1.00 0.14 H new ATOM 0 HA GLN A 158 -1.681 6.228 3.323 1.00 0.13 H new ATOM 0 HB2 GLN A 158 -4.041 6.416 4.232 1.00 0.13 H new ATOM 0 HB3 GLN A 158 -4.351 7.656 3.032 1.00 0.13 H new ATOM 0 HG2 GLN A 158 -4.286 6.158 1.251 1.00 0.15 H new ATOM 0 HG3 GLN A 158 -3.272 5.012 2.105 1.00 0.15 H new ATOM 0 HE21 GLN A 158 -6.331 5.538 0.949 1.00 1.40 H new ATOM 0 HE22 GLN A 158 -7.241 4.456 2.008 1.00 1.40 H new ATOM 2419 N ILE A 159 -1.139 7.151 1.098 1.00 0.16 N ATOM 2420 CA ILE A 159 -0.723 7.705 -0.185 1.00 0.17 C ATOM 2421 C ILE A 159 -1.121 6.788 -1.335 1.00 0.16 C ATOM 2422 O ILE A 159 -1.220 5.572 -1.171 1.00 0.15 O ATOM 2423 CB ILE A 159 0.799 7.935 -0.229 1.00 0.21 C ATOM 2424 CG1 ILE A 159 1.266 8.658 1.035 1.00 0.24 C ATOM 2425 CG2 ILE A 159 1.178 8.731 -1.470 1.00 0.23 C ATOM 2426 CD1 ILE A 159 1.871 7.735 2.070 1.00 0.32 C ATOM 0 H ILE A 159 -0.788 6.212 1.286 1.00 0.16 H new ATOM 0 HA ILE A 159 -1.231 8.663 -0.296 1.00 0.17 H new ATOM 0 HB ILE A 159 1.296 6.966 -0.275 1.00 0.21 H new ATOM 0 HG12 ILE A 159 2.001 9.415 0.761 1.00 0.24 H new ATOM 0 HG13 ILE A 159 0.419 9.182 1.478 1.00 0.24 H new ATOM 0 HG21 ILE A 159 2.257 8.886 -1.488 1.00 0.23 H new ATOM 0 HG22 ILE A 159 0.876 8.181 -2.361 1.00 0.23 H new ATOM 0 HG23 ILE A 159 0.673 9.697 -1.451 1.00 0.23 H new ATOM 0 HD11 ILE A 159 2.180 8.316 2.939 1.00 0.32 H new ATOM 0 HD12 ILE A 159 1.132 6.994 2.373 1.00 0.32 H new ATOM 0 HD13 ILE A 159 2.738 7.230 1.644 1.00 0.32 H new ATOM 2438 N THR A 160 -1.348 7.380 -2.505 1.00 0.18 N ATOM 2439 CA THR A 160 -1.735 6.619 -3.684 1.00 0.17 C ATOM 2440 C THR A 160 -0.950 7.066 -4.911 1.00 0.16 C ATOM 2441 O THR A 160 -0.354 8.143 -4.920 1.00 0.27 O ATOM 2442 CB THR A 160 -3.242 6.758 -3.975 1.00 0.20 C ATOM 2443 OG1 THR A 160 -3.578 6.051 -5.173 1.00 0.28 O ATOM 2444 CG2 THR A 160 -3.632 8.222 -4.118 1.00 0.21 C ATOM 0 H THR A 160 -1.270 8.385 -2.659 1.00 0.18 H new ATOM 0 HA THR A 160 -1.508 5.574 -3.472 1.00 0.17 H new ATOM 0 HB THR A 160 -3.792 6.331 -3.136 1.00 0.20 H new ATOM 0 HG1 THR A 160 -4.431 5.585 -5.049 1.00 0.28 H new ATOM 0 HG21 THR A 160 -4.700 8.296 -4.323 1.00 0.21 H new ATOM 0 HG22 THR A 160 -3.403 8.752 -3.193 1.00 0.21 H new ATOM 0 HG23 THR A 160 -3.073 8.669 -4.940 1.00 0.21 H new ATOM 2452 N GLY A 161 -0.953 6.233 -5.947 1.00 0.11 N ATOM 2453 CA GLY A 161 -0.237 6.562 -7.166 1.00 0.13 C ATOM 2454 C GLY A 161 -0.828 5.885 -8.387 1.00 0.13 C ATOM 2455 O GLY A 161 -1.126 4.691 -8.360 1.00 0.13 O ATOM 0 H GLY A 161 -1.438 5.336 -5.964 1.00 0.11 H new ATOM 0 HA2 GLY A 161 -0.251 7.642 -7.311 1.00 0.13 H new ATOM 0 HA3 GLY A 161 0.807 6.268 -7.061 1.00 0.13 H new ATOM 2459 N LYS A 162 -0.998 6.649 -9.461 1.00 0.14 N ATOM 2460 CA LYS A 162 -1.557 6.116 -10.698 1.00 0.15 C ATOM 2461 C LYS A 162 -0.451 5.643 -11.635 1.00 0.16 C ATOM 2462 O LYS A 162 0.593 6.283 -11.754 1.00 0.19 O ATOM 2463 CB LYS A 162 -2.410 7.178 -11.394 1.00 0.17 C ATOM 2464 CG LYS A 162 -3.263 6.629 -12.524 1.00 0.20 C ATOM 2465 CD LYS A 162 -3.455 7.655 -13.628 1.00 0.28 C ATOM 2466 CE LYS A 162 -4.844 8.275 -13.577 1.00 1.41 C ATOM 2467 NZ LYS A 162 -5.077 9.204 -14.718 1.00 1.67 N ATOM 0 H LYS A 162 -0.757 7.639 -9.500 1.00 0.14 H new ATOM 0 HA LYS A 162 -2.185 5.262 -10.446 1.00 0.15 H new ATOM 0 HB2 LYS A 162 -3.059 7.651 -10.657 1.00 0.17 H new ATOM 0 HB3 LYS A 162 -1.756 7.956 -11.789 1.00 0.17 H new ATOM 0 HG2 LYS A 162 -2.793 5.735 -12.935 1.00 0.20 H new ATOM 0 HG3 LYS A 162 -4.235 6.327 -12.134 1.00 0.20 H new ATOM 0 HD2 LYS A 162 -2.702 8.438 -13.534 1.00 0.28 H new ATOM 0 HD3 LYS A 162 -3.302 7.181 -14.598 1.00 0.28 H new ATOM 0 HE2 LYS A 162 -5.595 7.485 -13.592 1.00 1.41 H new ATOM 0 HE3 LYS A 162 -4.967 8.815 -12.638 1.00 1.41 H new ATOM 0 HZ1 LYS A 162 -6.034 9.606 -14.648 1.00 1.67 H new ATOM 0 HZ2 LYS A 162 -4.376 9.971 -14.690 1.00 1.67 H new ATOM 0 HZ3 LYS A 162 -4.985 8.684 -15.614 1.00 1.67 H new ATOM 2481 N LYS A 163 -0.688 4.518 -12.301 1.00 0.17 N ATOM 2482 CA LYS A 163 0.286 3.958 -13.232 1.00 0.19 C ATOM 2483 C LYS A 163 0.193 4.642 -14.592 1.00 0.23 C ATOM 2484 O LYS A 163 -0.893 4.863 -15.129 1.00 0.24 O ATOM 2485 CB LYS A 163 0.066 2.452 -13.388 1.00 0.19 C ATOM 2486 CG LYS A 163 1.343 1.676 -13.662 1.00 0.56 C ATOM 2487 CD LYS A 163 1.626 1.575 -15.152 1.00 1.12 C ATOM 2488 CE LYS A 163 3.108 1.377 -15.425 1.00 0.73 C ATOM 2489 NZ LYS A 163 3.344 0.650 -16.704 1.00 1.83 N ATOM 0 H LYS A 163 -1.547 3.975 -12.214 1.00 0.17 H new ATOM 0 HA LYS A 163 1.282 4.132 -12.826 1.00 0.19 H new ATOM 0 HB2 LYS A 163 -0.397 2.065 -12.480 1.00 0.19 H new ATOM 0 HB3 LYS A 163 -0.637 2.278 -14.203 1.00 0.19 H new ATOM 0 HG2 LYS A 163 2.181 2.165 -13.164 1.00 0.56 H new ATOM 0 HG3 LYS A 163 1.260 0.675 -13.238 1.00 0.56 H new ATOM 0 HD2 LYS A 163 1.063 0.743 -15.575 1.00 1.12 H new ATOM 0 HD3 LYS A 163 1.281 2.480 -15.651 1.00 1.12 H new ATOM 0 HE2 LYS A 163 3.603 2.347 -15.462 1.00 0.73 H new ATOM 0 HE3 LYS A 163 3.558 0.821 -14.603 1.00 0.73 H new ATOM 0 HZ1 LYS A 163 4.367 0.535 -16.854 1.00 1.83 H new ATOM 0 HZ2 LYS A 163 2.893 -0.286 -16.660 1.00 1.83 H new ATOM 0 HZ3 LYS A 163 2.937 1.193 -17.492 1.00 1.83 H new ATOM 2503 N PRO A 164 1.357 4.981 -15.165 1.00 0.26 N ATOM 2504 CA PRO A 164 1.432 5.641 -16.473 1.00 0.30 C ATOM 2505 C PRO A 164 1.028 4.715 -17.614 1.00 0.32 C ATOM 2506 O PRO A 164 1.583 3.629 -17.771 1.00 0.38 O ATOM 2507 CB PRO A 164 2.909 6.023 -16.592 1.00 0.33 C ATOM 2508 CG PRO A 164 3.624 5.049 -15.720 1.00 0.31 C ATOM 2509 CD PRO A 164 2.688 4.747 -14.583 1.00 0.26 C ATOM 0 HA PRO A 164 0.751 6.489 -16.541 1.00 0.30 H new ATOM 0 HB2 PRO A 164 3.253 5.957 -17.624 1.00 0.33 H new ATOM 0 HB3 PRO A 164 3.080 7.048 -16.264 1.00 0.33 H new ATOM 0 HG2 PRO A 164 3.874 4.142 -16.271 1.00 0.31 H new ATOM 0 HG3 PRO A 164 4.561 5.468 -15.353 1.00 0.31 H new ATOM 0 HD2 PRO A 164 2.799 3.721 -14.233 1.00 0.26 H new ATOM 0 HD3 PRO A 164 2.872 5.397 -13.728 1.00 0.26 H new ATOM 2517 N ASN A 165 0.058 5.154 -18.410 1.00 0.32 N ATOM 2518 CA ASN A 165 -0.421 4.363 -19.538 1.00 0.34 C ATOM 2519 C ASN A 165 0.071 4.945 -20.860 1.00 0.40 C ATOM 2520 O ASN A 165 0.285 6.152 -20.976 1.00 0.44 O ATOM 2521 CB ASN A 165 -1.950 4.302 -19.532 1.00 0.33 C ATOM 2522 CG ASN A 165 -2.511 3.739 -20.826 1.00 0.37 C ATOM 2523 OD1 ASN A 165 -2.507 4.406 -21.858 1.00 0.42 O ATOM 2524 ND2 ASN A 165 -2.997 2.504 -20.769 1.00 0.38 N ATOM 0 H ASN A 165 -0.411 6.052 -18.295 1.00 0.32 H new ATOM 0 HA ASN A 165 -0.023 3.353 -19.436 1.00 0.34 H new ATOM 0 HB2 ASN A 165 -2.283 3.687 -18.696 1.00 0.33 H new ATOM 0 HB3 ASN A 165 -2.350 5.303 -19.370 1.00 0.33 H new ATOM 0 HD21 ASN A 165 -3.388 2.071 -21.605 1.00 0.38 H new ATOM 0 HD22 ASN A 165 -2.979 1.989 -19.889 1.00 0.38 H new