USER MOD reduce.3.24.130724 H: found=0, std=0, add=1211, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 1212 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 99 MET CE :methyl 178:sc= -2.54! (180deg=-2.56!) USER MOD Set 1.2: A 124 MET CE :methyl 167:sc= 0 (180deg=0) USER MOD Set 2.1: A 31 SER OG : rot -16:sc= 0.776 USER MOD Set 2.2: A 62 THR OG1 : rot 63:sc= 0.657 USER MOD Set 3.1: A 48 GLN : amide:sc= -8.61! C(o=-10!,f=-20!) USER MOD Set 3.2: A 50 GLN :FLIP amide:sc= -1.84 F(o=-27!,f=-10) USER MOD Set 4.1: A 17 GLN : amide:sc= -1.01 K(o=-5.2,f=-10!) USER MOD Set 4.2: A 80 GLN :FLIP amide:sc= -4.17! C(o=-5.9!,f=-5.2!) USER MOD Single : A 1 THR N :NH3+ 145:sc= 0.0374 (180deg=0) USER MOD Single : A 1 THR OG1 : rot 180:sc= 0.0136 USER MOD Single : A 4 TYR OH : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 47:sc= -1.66! USER MOD Single : A 10 ASN : amide:sc= -9.41! C(o=-9.4!,f=-11!) USER MOD Single : A 13 SER OG : rot -12:sc= 0.932 USER MOD Single : A 19 ASN :FLIP amide:sc= -0.212 F(o=-1.8!,f=-0.21) USER MOD Single : A 23 LYS NZ :NH3+ 166:sc= -0.0352 (180deg=-0.278) USER MOD Single : A 32 HIS : no HD1:sc= -0.572 K(o=-0.57,f=-1.2) USER MOD Single : A 35 THR OG1 : rot 180:sc= -0.574! USER MOD Single : A 37 SER OG : rot -92:sc= 0.696 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 40 TYR OH : rot 29:sc= 0.00117 USER MOD Single : A 42 THR OG1 : rot 180:sc= -0.481 USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 ASN :FLIP amide:sc= -6.44! C(o=-7.8!,f=-6.4!) USER MOD Single : A 63 SER OG : rot -29:sc= 0.387 USER MOD Single : A 71 ASN : amide:sc= -0.464 K(o=-0.46,f=-2.4) USER MOD Single : A 72 HIS : no HD1:sc= -2.96! C(o=-3!,f=-5.5!) USER MOD Single : A 73 THR OG1 : rot -24:sc= 1.04 USER MOD Single : A 74 GLN : amide:sc= -4.3! C(o=-4.3!,f=-9.8!) USER MOD Single : A 79 GLN :FLIP amide:sc= -0.323 F(o=-1.1!,f=-0.32) USER MOD Single : A 93 THR OG1 : rot 90:sc= 0 USER MOD Single : A 103 ASN : amide:sc= -2.52 K(o=-2.5,f=-3.4) USER MOD Single : A 107 ASN :FLIP amide:sc= -0.187 F(o=-3.4!,f=-0.19) USER MOD Single : A 108 THR OG1 : rot 160:sc= -2.91! USER MOD Single : A 112 THR OG1 : rot 180:sc= 0 USER MOD Single : A 115 HIS : no HD1:sc= -1.26 K(o=-1.3,f=-4.5!) USER MOD Single : A 116 TYR OH : rot 180:sc= 0 USER MOD Single : A 118 MET CE :methyl 140:sc= -4.72! (180deg=-7.17!) USER MOD Single : A 119 LYS NZ :NH3+ 165:sc= -0.0485 (180deg=-0.316) USER MOD Single : A 120 ASN : amide:sc= -0.385 K(o=-0.38,f=-1.1) USER MOD Single : A 142 MET CE :methyl -170:sc= -0.482 (180deg=-0.788) USER MOD Single : A 145 GLN :FLIP amide:sc= -5.16! C(o=-13!,f=-5.2!) USER MOD Single : A 148 HIS : no HD1:sc= -0.0128 X(o=-0.013,f=-0.013) USER MOD Single : A 149 THR OG1 : rot 180:sc= 0 USER MOD Single : A 154 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 156 ASN : amide:sc= 0.227 K(o=0.23,f=-3.3!) USER MOD Single : A 157 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 1 1.425 -13.531 -9.891 1.00 0.73 N ATOM 2 CA THR A 1 1.044 -12.944 -8.580 1.00 0.53 C ATOM 3 C THR A 1 1.086 -11.419 -8.626 1.00 0.47 C ATOM 4 O THR A 1 1.898 -10.833 -9.344 1.00 0.70 O ATOM 5 CB THR A 1 2.006 -13.472 -7.514 1.00 0.54 C ATOM 6 OG1 THR A 1 1.952 -14.886 -7.444 1.00 0.58 O ATOM 7 CG2 THR A 1 1.715 -12.936 -6.127 1.00 0.81 C ATOM 0 H1 THR A 1 1.949 -14.416 -9.736 1.00 0.73 H new ATOM 0 H2 THR A 1 0.567 -13.729 -10.445 1.00 0.73 H new ATOM 0 H3 THR A 1 2.025 -12.859 -10.411 1.00 0.73 H new ATOM 0 HA THR A 1 0.021 -13.234 -8.339 1.00 0.53 H new ATOM 0 HB THR A 1 2.993 -13.128 -7.822 1.00 0.54 H new ATOM 0 HG1 THR A 1 2.575 -15.204 -6.758 1.00 0.58 H new ATOM 0 HG21 THR A 1 2.433 -13.350 -5.419 1.00 0.81 H new ATOM 0 HG22 THR A 1 1.796 -11.849 -6.133 1.00 0.81 H new ATOM 0 HG23 THR A 1 0.706 -13.223 -5.830 1.00 0.81 H new ATOM 17 N VAL A 2 0.207 -10.782 -7.860 1.00 0.44 N ATOM 18 CA VAL A 2 0.148 -9.326 -7.814 1.00 0.42 C ATOM 19 C VAL A 2 0.385 -8.803 -6.404 1.00 0.38 C ATOM 20 O VAL A 2 -0.059 -9.401 -5.422 1.00 0.43 O ATOM 21 CB VAL A 2 -1.211 -8.796 -8.315 1.00 0.51 C ATOM 22 CG1 VAL A 2 -1.306 -7.290 -8.119 1.00 1.29 C ATOM 23 CG2 VAL A 2 -1.422 -9.150 -9.775 1.00 0.85 C ATOM 0 H VAL A 2 -0.474 -11.251 -7.263 1.00 0.44 H new ATOM 0 HA VAL A 2 0.939 -8.966 -8.472 1.00 0.42 H new ATOM 0 HB VAL A 2 -1.996 -9.273 -7.728 1.00 0.51 H new ATOM 0 HG11 VAL A 2 -2.272 -6.936 -8.479 1.00 1.29 H new ATOM 0 HG12 VAL A 2 -1.205 -7.054 -7.060 1.00 1.29 H new ATOM 0 HG13 VAL A 2 -0.509 -6.799 -8.678 1.00 1.29 H new ATOM 0 HG21 VAL A 2 -2.387 -8.766 -10.107 1.00 0.85 H new ATOM 0 HG22 VAL A 2 -0.629 -8.705 -10.376 1.00 0.85 H new ATOM 0 HG23 VAL A 2 -1.402 -10.233 -9.893 1.00 0.85 H new ATOM 33 N ALA A 3 1.075 -7.671 -6.312 1.00 0.38 N ATOM 34 CA ALA A 3 1.357 -7.050 -5.027 1.00 0.40 C ATOM 35 C ALA A 3 0.501 -5.804 -4.840 1.00 0.40 C ATOM 36 O ALA A 3 0.797 -4.740 -5.380 1.00 0.65 O ATOM 37 CB ALA A 3 2.831 -6.713 -4.907 1.00 0.43 C ATOM 0 H ALA A 3 1.449 -7.166 -7.115 1.00 0.38 H new ATOM 0 HA ALA A 3 1.107 -7.760 -4.238 1.00 0.40 H new ATOM 0 HB1 ALA A 3 3.021 -6.249 -3.939 1.00 0.43 H new ATOM 0 HB2 ALA A 3 3.421 -7.625 -4.994 1.00 0.43 H new ATOM 0 HB3 ALA A 3 3.112 -6.022 -5.701 1.00 0.43 H new ATOM 43 N TYR A 4 -0.562 -5.957 -4.065 1.00 0.25 N ATOM 44 CA TYR A 4 -1.487 -4.869 -3.783 1.00 0.24 C ATOM 45 C TYR A 4 -0.942 -4.012 -2.640 1.00 0.27 C ATOM 46 O TYR A 4 -1.325 -4.177 -1.480 1.00 0.35 O ATOM 47 CB TYR A 4 -2.851 -5.456 -3.435 1.00 0.25 C ATOM 48 CG TYR A 4 -3.382 -6.392 -4.504 1.00 0.27 C ATOM 49 CD1 TYR A 4 -2.834 -7.654 -4.682 1.00 0.55 C ATOM 50 CD2 TYR A 4 -4.436 -6.015 -5.333 1.00 0.62 C ATOM 51 CE1 TYR A 4 -3.322 -8.511 -5.648 1.00 0.61 C ATOM 52 CE2 TYR A 4 -4.924 -6.868 -6.303 1.00 0.66 C ATOM 53 CZ TYR A 4 -4.349 -8.101 -6.476 1.00 0.45 C ATOM 54 OH TYR A 4 -4.849 -8.970 -7.418 1.00 0.55 O ATOM 0 H TYR A 4 -0.808 -6.838 -3.614 1.00 0.25 H new ATOM 0 HA TYR A 4 -1.596 -4.229 -4.658 1.00 0.24 H new ATOM 0 HB2 TYR A 4 -2.778 -5.995 -2.491 1.00 0.25 H new ATOM 0 HB3 TYR A 4 -3.562 -4.644 -3.284 1.00 0.25 H new ATOM 0 HD1 TYR A 4 -2.013 -7.971 -4.055 1.00 0.55 H new ATOM 0 HD2 TYR A 4 -4.880 -5.037 -5.215 1.00 0.62 H new ATOM 0 HE1 TYR A 4 -2.902 -9.500 -5.756 1.00 0.61 H new ATOM 0 HE2 TYR A 4 -5.755 -6.565 -6.923 1.00 0.66 H new ATOM 0 HH TYR A 4 -5.568 -8.531 -7.919 1.00 0.55 H new ATOM 64 N ILE A 5 -0.007 -3.123 -2.980 1.00 0.28 N ATOM 65 CA ILE A 5 0.648 -2.258 -1.999 1.00 0.34 C ATOM 66 C ILE A 5 -0.078 -0.923 -1.828 1.00 0.34 C ATOM 67 O ILE A 5 -0.924 -0.556 -2.644 1.00 0.39 O ATOM 68 CB ILE A 5 2.105 -1.974 -2.423 1.00 0.41 C ATOM 69 CG1 ILE A 5 2.766 -3.250 -2.948 1.00 0.44 C ATOM 70 CG2 ILE A 5 2.903 -1.407 -1.257 1.00 0.53 C ATOM 71 CD1 ILE A 5 4.161 -3.030 -3.491 1.00 0.95 C ATOM 0 H ILE A 5 0.316 -2.983 -3.937 1.00 0.28 H new ATOM 0 HA ILE A 5 0.624 -2.789 -1.048 1.00 0.34 H new ATOM 0 HB ILE A 5 2.091 -1.234 -3.223 1.00 0.41 H new ATOM 0 HG12 ILE A 5 2.810 -3.984 -2.143 1.00 0.44 H new ATOM 0 HG13 ILE A 5 2.142 -3.676 -3.734 1.00 0.44 H new ATOM 0 HG21 ILE A 5 3.927 -1.214 -1.577 1.00 0.53 H new ATOM 0 HG22 ILE A 5 2.446 -0.476 -0.922 1.00 0.53 H new ATOM 0 HG23 ILE A 5 2.908 -2.125 -0.437 1.00 0.53 H new ATOM 0 HD11 ILE A 5 4.567 -3.977 -3.845 1.00 0.95 H new ATOM 0 HD12 ILE A 5 4.122 -2.320 -4.317 1.00 0.95 H new ATOM 0 HD13 ILE A 5 4.800 -2.634 -2.702 1.00 0.95 H new ATOM 83 N ALA A 6 0.276 -0.197 -0.767 1.00 0.40 N ATOM 84 CA ALA A 6 -0.322 1.105 -0.484 1.00 0.44 C ATOM 85 C ALA A 6 0.755 2.126 -0.112 1.00 0.42 C ATOM 86 O ALA A 6 1.456 1.965 0.889 1.00 0.58 O ATOM 87 CB ALA A 6 -1.346 0.984 0.635 1.00 0.53 C ATOM 0 H ALA A 6 0.977 -0.492 -0.088 1.00 0.40 H new ATOM 0 HA ALA A 6 -0.827 1.454 -1.385 1.00 0.44 H new ATOM 0 HB1 ALA A 6 -1.783 1.962 0.835 1.00 0.53 H new ATOM 0 HB2 ALA A 6 -2.131 0.290 0.336 1.00 0.53 H new ATOM 0 HB3 ALA A 6 -0.858 0.614 1.536 1.00 0.53 H new ATOM 93 N ILE A 7 0.885 3.173 -0.923 1.00 0.41 N ATOM 94 CA ILE A 7 1.881 4.217 -0.680 1.00 0.40 C ATOM 95 C ILE A 7 1.377 5.226 0.349 1.00 0.44 C ATOM 96 O ILE A 7 0.171 5.396 0.515 1.00 0.52 O ATOM 97 CB ILE A 7 2.230 4.971 -1.980 1.00 0.50 C ATOM 98 CG1 ILE A 7 2.480 3.984 -3.127 1.00 0.65 C ATOM 99 CG2 ILE A 7 3.444 5.866 -1.766 1.00 0.53 C ATOM 100 CD1 ILE A 7 3.565 2.968 -2.840 1.00 0.99 C ATOM 0 H ILE A 7 0.314 3.322 -1.755 1.00 0.41 H new ATOM 0 HA ILE A 7 2.774 3.721 -0.299 1.00 0.40 H new ATOM 0 HB ILE A 7 1.382 5.600 -2.252 1.00 0.50 H new ATOM 0 HG12 ILE A 7 1.552 3.457 -3.348 1.00 0.65 H new ATOM 0 HG13 ILE A 7 2.749 4.544 -4.023 1.00 0.65 H new ATOM 0 HG21 ILE A 7 3.677 6.391 -2.693 1.00 0.53 H new ATOM 0 HG22 ILE A 7 3.227 6.592 -0.982 1.00 0.53 H new ATOM 0 HG23 ILE A 7 4.298 5.256 -1.470 1.00 0.53 H new ATOM 0 HD11 ILE A 7 3.681 2.307 -3.699 1.00 0.99 H new ATOM 0 HD12 ILE A 7 4.506 3.484 -2.650 1.00 0.99 H new ATOM 0 HD13 ILE A 7 3.290 2.380 -1.964 1.00 0.99 H new ATOM 112 N GLY A 8 2.298 5.896 1.037 1.00 0.50 N ATOM 113 CA GLY A 8 1.897 6.874 2.032 1.00 0.61 C ATOM 114 C GLY A 8 2.966 7.910 2.311 1.00 0.62 C ATOM 115 O GLY A 8 3.890 7.666 3.085 1.00 0.90 O ATOM 0 H GLY A 8 3.305 5.781 0.925 1.00 0.50 H new ATOM 0 HA2 GLY A 8 0.991 7.377 1.694 1.00 0.61 H new ATOM 0 HA3 GLY A 8 1.648 6.359 2.960 1.00 0.61 H new ATOM 119 N SER A 9 2.829 9.075 1.685 1.00 0.56 N ATOM 120 CA SER A 9 3.781 10.166 1.871 1.00 0.63 C ATOM 121 C SER A 9 3.117 11.331 2.591 1.00 0.66 C ATOM 122 O SER A 9 1.913 11.550 2.447 1.00 0.77 O ATOM 123 CB SER A 9 4.319 10.632 0.521 1.00 0.77 C ATOM 124 OG SER A 9 5.161 11.762 0.674 1.00 1.58 O ATOM 0 H SER A 9 2.066 9.288 1.043 1.00 0.56 H new ATOM 0 HA SER A 9 4.610 9.802 2.478 1.00 0.63 H new ATOM 0 HB2 SER A 9 4.873 9.822 0.047 1.00 0.77 H new ATOM 0 HB3 SER A 9 3.488 10.879 -0.140 1.00 0.77 H new ATOM 0 HG SER A 9 5.794 11.602 1.405 1.00 1.58 H new ATOM 130 N ASN A 10 3.896 12.076 3.375 1.00 0.69 N ATOM 131 CA ASN A 10 3.353 13.207 4.122 1.00 0.79 C ATOM 132 C ASN A 10 4.410 14.270 4.427 1.00 0.83 C ATOM 133 O ASN A 10 4.129 15.467 4.364 1.00 0.98 O ATOM 134 CB ASN A 10 2.740 12.715 5.433 1.00 0.99 C ATOM 135 CG ASN A 10 1.558 11.790 5.217 1.00 1.05 C ATOM 136 OD1 ASN A 10 0.553 12.179 4.626 1.00 2.01 O ATOM 137 ND2 ASN A 10 1.675 10.558 5.696 1.00 1.01 N ATOM 0 H ASN A 10 4.895 11.918 3.508 1.00 0.69 H new ATOM 0 HA ASN A 10 2.591 13.669 3.494 1.00 0.79 H new ATOM 0 HB2 ASN A 10 3.502 12.194 6.013 1.00 0.99 H new ATOM 0 HB3 ASN A 10 2.421 13.573 6.024 1.00 0.99 H new ATOM 0 HD21 ASN A 10 0.912 9.891 5.580 1.00 1.01 H new ATOM 0 HD22 ASN A 10 2.528 10.278 6.180 1.00 1.01 H new ATOM 144 N LEU A 11 5.612 13.834 4.787 1.00 0.83 N ATOM 145 CA LEU A 11 6.686 14.763 5.135 1.00 0.95 C ATOM 146 C LEU A 11 7.727 14.877 4.028 1.00 0.93 C ATOM 147 O LEU A 11 8.905 14.583 4.235 1.00 1.38 O ATOM 148 CB LEU A 11 7.354 14.339 6.447 1.00 1.12 C ATOM 149 CG LEU A 11 6.536 14.606 7.718 1.00 0.90 C ATOM 150 CD1 LEU A 11 6.296 16.096 7.898 1.00 1.77 C ATOM 151 CD2 LEU A 11 5.215 13.857 7.680 1.00 1.54 C ATOM 0 H LEU A 11 5.869 12.849 4.846 1.00 0.83 H new ATOM 0 HA LEU A 11 6.234 15.747 5.262 1.00 0.95 H new ATOM 0 HB2 LEU A 11 7.575 13.273 6.395 1.00 1.12 H new ATOM 0 HB3 LEU A 11 8.308 14.858 6.534 1.00 1.12 H new ATOM 0 HG LEU A 11 7.110 14.242 8.570 1.00 0.90 H new ATOM 0 HD11 LEU A 11 5.714 16.264 8.804 1.00 1.77 H new ATOM 0 HD12 LEU A 11 7.253 16.611 7.980 1.00 1.77 H new ATOM 0 HD13 LEU A 11 5.748 16.483 7.039 1.00 1.77 H new ATOM 0 HD21 LEU A 11 4.654 14.063 8.592 1.00 1.54 H new ATOM 0 HD22 LEU A 11 4.636 14.184 6.816 1.00 1.54 H new ATOM 0 HD23 LEU A 11 5.406 12.786 7.605 1.00 1.54 H new ATOM 163 N ALA A 12 7.287 15.328 2.860 1.00 0.84 N ATOM 164 CA ALA A 12 8.171 15.508 1.714 1.00 0.91 C ATOM 165 C ALA A 12 7.387 16.027 0.518 1.00 0.95 C ATOM 166 O ALA A 12 7.354 17.230 0.253 1.00 1.72 O ATOM 167 CB ALA A 12 8.869 14.201 1.365 1.00 0.97 C ATOM 0 H ALA A 12 6.315 15.578 2.680 1.00 0.84 H new ATOM 0 HA ALA A 12 8.931 16.243 1.977 1.00 0.91 H new ATOM 0 HB1 ALA A 12 9.524 14.356 0.508 1.00 0.97 H new ATOM 0 HB2 ALA A 12 9.460 13.865 2.217 1.00 0.97 H new ATOM 0 HB3 ALA A 12 8.123 13.445 1.120 1.00 0.97 H new ATOM 173 N SER A 13 6.745 15.107 -0.188 1.00 0.81 N ATOM 174 CA SER A 13 5.939 15.438 -1.354 1.00 0.79 C ATOM 175 C SER A 13 5.003 14.277 -1.669 1.00 0.71 C ATOM 176 O SER A 13 5.311 13.437 -2.514 1.00 0.71 O ATOM 177 CB SER A 13 6.831 15.743 -2.558 1.00 0.89 C ATOM 178 OG SER A 13 7.682 16.847 -2.303 1.00 1.47 O ATOM 0 H SER A 13 6.768 14.111 0.031 1.00 0.81 H new ATOM 0 HA SER A 13 5.349 16.328 -1.136 1.00 0.79 H new ATOM 0 HB2 SER A 13 7.432 14.866 -2.799 1.00 0.89 H new ATOM 0 HB3 SER A 13 6.210 15.953 -3.429 1.00 0.89 H new ATOM 0 HG SER A 13 7.392 17.301 -1.484 1.00 1.47 H new ATOM 184 N PRO A 14 3.856 14.204 -0.967 1.00 0.69 N ATOM 185 CA PRO A 14 2.876 13.133 -1.142 1.00 0.66 C ATOM 186 C PRO A 14 2.692 12.691 -2.595 1.00 0.67 C ATOM 187 O PRO A 14 2.430 11.520 -2.859 1.00 0.66 O ATOM 188 CB PRO A 14 1.597 13.761 -0.612 1.00 0.68 C ATOM 189 CG PRO A 14 2.048 14.695 0.461 1.00 0.80 C ATOM 190 CD PRO A 14 3.435 15.156 0.081 1.00 0.78 C ATOM 0 HA PRO A 14 3.186 12.222 -0.630 1.00 0.66 H new ATOM 0 HB2 PRO A 14 1.061 14.292 -1.399 1.00 0.68 H new ATOM 0 HB3 PRO A 14 0.918 13.004 -0.218 1.00 0.68 H new ATOM 0 HG2 PRO A 14 1.368 15.543 0.547 1.00 0.80 H new ATOM 0 HG3 PRO A 14 2.058 14.195 1.430 1.00 0.80 H new ATOM 0 HD2 PRO A 14 3.427 16.181 -0.291 1.00 0.78 H new ATOM 0 HD3 PRO A 14 4.111 15.133 0.936 1.00 0.78 H new ATOM 198 N LEU A 15 2.804 13.631 -3.528 1.00 0.73 N ATOM 199 CA LEU A 15 2.624 13.321 -4.945 1.00 0.78 C ATOM 200 C LEU A 15 3.914 12.820 -5.600 1.00 0.73 C ATOM 201 O LEU A 15 3.873 11.950 -6.471 1.00 0.79 O ATOM 202 CB LEU A 15 2.108 14.553 -5.694 1.00 0.92 C ATOM 203 CG LEU A 15 1.846 14.348 -7.188 1.00 0.98 C ATOM 204 CD1 LEU A 15 0.808 13.256 -7.406 1.00 1.00 C ATOM 205 CD2 LEU A 15 1.395 15.649 -7.832 1.00 1.15 C ATOM 0 H LEU A 15 3.017 14.609 -3.332 1.00 0.73 H new ATOM 0 HA LEU A 15 1.891 12.517 -5.006 1.00 0.78 H new ATOM 0 HB2 LEU A 15 1.183 14.884 -5.222 1.00 0.92 H new ATOM 0 HB3 LEU A 15 2.832 15.359 -5.576 1.00 0.92 H new ATOM 0 HG LEU A 15 2.777 14.034 -7.660 1.00 0.98 H new ATOM 0 HD11 LEU A 15 0.636 13.126 -8.474 1.00 1.00 H new ATOM 0 HD12 LEU A 15 1.169 12.320 -6.980 1.00 1.00 H new ATOM 0 HD13 LEU A 15 -0.126 13.539 -6.920 1.00 1.00 H new ATOM 0 HD21 LEU A 15 1.213 15.485 -8.894 1.00 1.15 H new ATOM 0 HD22 LEU A 15 0.477 15.992 -7.355 1.00 1.15 H new ATOM 0 HD23 LEU A 15 2.171 16.404 -7.709 1.00 1.15 H new ATOM 217 N GLU A 16 5.048 13.385 -5.201 1.00 0.71 N ATOM 218 CA GLU A 16 6.334 13.009 -5.771 1.00 0.71 C ATOM 219 C GLU A 16 6.819 11.655 -5.261 1.00 0.63 C ATOM 220 O GLU A 16 7.535 10.940 -5.962 1.00 0.65 O ATOM 221 CB GLU A 16 7.363 14.075 -5.432 1.00 0.81 C ATOM 222 CG GLU A 16 7.082 15.418 -6.079 1.00 0.95 C ATOM 223 CD GLU A 16 8.143 16.455 -5.763 1.00 1.57 C ATOM 224 OE1 GLU A 16 9.319 16.224 -6.107 1.00 2.35 O ATOM 225 OE2 GLU A 16 7.795 17.498 -5.170 1.00 2.01 O ATOM 0 H GLU A 16 5.101 14.107 -4.483 1.00 0.71 H new ATOM 0 HA GLU A 16 6.207 12.927 -6.850 1.00 0.71 H new ATOM 0 HB2 GLU A 16 7.399 14.203 -4.350 1.00 0.81 H new ATOM 0 HB3 GLU A 16 8.348 13.729 -5.745 1.00 0.81 H new ATOM 0 HG2 GLU A 16 7.016 15.289 -7.159 1.00 0.95 H new ATOM 0 HG3 GLU A 16 6.112 15.783 -5.742 1.00 0.95 H new ATOM 232 N GLN A 17 6.449 11.320 -4.033 1.00 0.59 N ATOM 233 CA GLN A 17 6.870 10.066 -3.427 1.00 0.56 C ATOM 234 C GLN A 17 6.143 8.873 -4.037 1.00 0.55 C ATOM 235 O GLN A 17 6.661 7.759 -4.029 1.00 0.61 O ATOM 236 CB GLN A 17 6.635 10.114 -1.920 1.00 0.62 C ATOM 237 CG GLN A 17 7.353 11.268 -1.235 1.00 0.71 C ATOM 238 CD GLN A 17 8.863 11.155 -1.316 1.00 1.20 C ATOM 239 OE1 GLN A 17 9.444 11.181 -2.402 1.00 1.99 O ATOM 240 NE2 GLN A 17 9.509 11.027 -0.162 1.00 1.63 N ATOM 0 H GLN A 17 5.858 11.900 -3.437 1.00 0.59 H new ATOM 0 HA GLN A 17 7.934 9.938 -3.625 1.00 0.56 H new ATOM 0 HB2 GLN A 17 5.565 10.196 -1.729 1.00 0.62 H new ATOM 0 HB3 GLN A 17 6.967 9.175 -1.477 1.00 0.62 H new ATOM 0 HG2 GLN A 17 7.039 12.207 -1.691 1.00 0.71 H new ATOM 0 HG3 GLN A 17 7.052 11.306 -0.188 1.00 0.71 H new ATOM 0 HE21 GLN A 17 8.988 11.010 0.715 1.00 1.63 H new ATOM 0 HE22 GLN A 17 10.526 10.946 -0.153 1.00 1.63 H new ATOM 249 N VAL A 18 4.946 9.109 -4.565 1.00 0.56 N ATOM 250 CA VAL A 18 4.161 8.041 -5.174 1.00 0.62 C ATOM 251 C VAL A 18 4.725 7.646 -6.536 1.00 0.60 C ATOM 252 O VAL A 18 4.632 6.486 -6.940 1.00 0.64 O ATOM 253 CB VAL A 18 2.682 8.452 -5.338 1.00 0.76 C ATOM 254 CG1 VAL A 18 1.882 7.340 -5.999 1.00 0.82 C ATOM 255 CG2 VAL A 18 2.077 8.814 -3.993 1.00 0.83 C ATOM 0 H VAL A 18 4.500 10.026 -4.584 1.00 0.56 H new ATOM 0 HA VAL A 18 4.219 7.185 -4.501 1.00 0.62 H new ATOM 0 HB VAL A 18 2.643 9.330 -5.983 1.00 0.76 H new ATOM 0 HG11 VAL A 18 0.843 7.652 -6.104 1.00 0.82 H new ATOM 0 HG12 VAL A 18 2.299 7.128 -6.984 1.00 0.82 H new ATOM 0 HG13 VAL A 18 1.930 6.442 -5.384 1.00 0.82 H new ATOM 0 HG21 VAL A 18 1.034 9.101 -4.129 1.00 0.83 H new ATOM 0 HG22 VAL A 18 2.133 7.954 -3.326 1.00 0.83 H new ATOM 0 HG23 VAL A 18 2.629 9.647 -3.558 1.00 0.83 H new ATOM 265 N ASN A 19 5.309 8.610 -7.239 1.00 0.60 N ATOM 266 CA ASN A 19 5.881 8.347 -8.555 1.00 0.64 C ATOM 267 C ASN A 19 7.018 7.332 -8.471 1.00 0.56 C ATOM 268 O ASN A 19 7.021 6.334 -9.188 1.00 0.63 O ATOM 269 CB ASN A 19 6.386 9.644 -9.190 1.00 0.72 C ATOM 270 CG ASN A 19 5.274 10.647 -9.417 1.00 0.82 C ATOM 271 OD1 ASN A 19 5.437 11.844 -8.868 1.00 0.92 O flip ATOM 272 ND2 ASN A 19 4.283 10.353 -10.086 1.00 0.84 N flip ATOM 0 H ASN A 19 5.399 9.575 -6.922 1.00 0.60 H new ATOM 0 HA ASN A 19 5.093 7.928 -9.181 1.00 0.64 H new ATOM 0 HB2 ASN A 19 7.146 10.088 -8.547 1.00 0.72 H new ATOM 0 HB3 ASN A 19 6.866 9.416 -10.142 1.00 0.72 H new ATOM 0 HD21 ASN A 19 4.199 9.420 -10.490 1.00 0.84 H new ATOM 0 HD22 ASN A 19 3.546 11.042 -10.236 1.00 0.84 H new ATOM 279 N ALA A 20 7.986 7.598 -7.596 1.00 0.47 N ATOM 280 CA ALA A 20 9.133 6.708 -7.430 1.00 0.42 C ATOM 281 C ALA A 20 8.771 5.470 -6.619 1.00 0.35 C ATOM 282 O ALA A 20 9.364 4.409 -6.803 1.00 0.36 O ATOM 283 CB ALA A 20 10.289 7.452 -6.777 1.00 0.43 C ATOM 0 H ALA A 20 7.999 8.420 -6.993 1.00 0.47 H new ATOM 0 HA ALA A 20 9.440 6.374 -8.421 1.00 0.42 H new ATOM 0 HB1 ALA A 20 11.136 6.777 -6.660 1.00 0.43 H new ATOM 0 HB2 ALA A 20 10.580 8.294 -7.405 1.00 0.43 H new ATOM 0 HB3 ALA A 20 9.979 7.819 -5.798 1.00 0.43 H new ATOM 289 N ALA A 21 7.794 5.603 -5.728 1.00 0.36 N ATOM 290 CA ALA A 21 7.362 4.479 -4.907 1.00 0.39 C ATOM 291 C ALA A 21 6.936 3.312 -5.791 1.00 0.41 C ATOM 292 O ALA A 21 7.324 2.167 -5.557 1.00 0.44 O ATOM 293 CB ALA A 21 6.229 4.897 -3.984 1.00 0.46 C ATOM 0 H ALA A 21 7.289 6.473 -5.557 1.00 0.36 H new ATOM 0 HA ALA A 21 8.200 4.156 -4.290 1.00 0.39 H new ATOM 0 HB1 ALA A 21 5.920 4.045 -3.379 1.00 0.46 H new ATOM 0 HB2 ALA A 21 6.569 5.701 -3.331 1.00 0.46 H new ATOM 0 HB3 ALA A 21 5.385 5.245 -4.579 1.00 0.46 H new ATOM 299 N LEU A 22 6.146 3.617 -6.817 1.00 0.47 N ATOM 300 CA LEU A 22 5.680 2.597 -7.749 1.00 0.53 C ATOM 301 C LEU A 22 6.718 2.354 -8.843 1.00 0.50 C ATOM 302 O LEU A 22 6.888 1.230 -9.312 1.00 0.64 O ATOM 303 CB LEU A 22 4.328 3.003 -8.355 1.00 0.70 C ATOM 304 CG LEU A 22 4.297 4.347 -9.094 1.00 0.81 C ATOM 305 CD1 LEU A 22 4.850 4.207 -10.506 1.00 1.28 C ATOM 306 CD2 LEU A 22 2.881 4.900 -9.128 1.00 1.35 C ATOM 0 H LEU A 22 5.816 4.560 -7.023 1.00 0.47 H new ATOM 0 HA LEU A 22 5.542 1.664 -7.202 1.00 0.53 H new ATOM 0 HB2 LEU A 22 4.014 2.223 -9.048 1.00 0.70 H new ATOM 0 HB3 LEU A 22 3.589 3.034 -7.555 1.00 0.70 H new ATOM 0 HG LEU A 22 4.932 5.047 -8.552 1.00 0.81 H new ATOM 0 HD11 LEU A 22 4.816 5.174 -11.007 1.00 1.28 H new ATOM 0 HD12 LEU A 22 5.882 3.858 -10.460 1.00 1.28 H new ATOM 0 HD13 LEU A 22 4.248 3.489 -11.063 1.00 1.28 H new ATOM 0 HD21 LEU A 22 2.875 5.854 -9.656 1.00 1.35 H new ATOM 0 HD22 LEU A 22 2.228 4.196 -9.644 1.00 1.35 H new ATOM 0 HD23 LEU A 22 2.523 5.047 -8.109 1.00 1.35 H new ATOM 318 N LYS A 23 7.411 3.417 -9.240 1.00 0.45 N ATOM 319 CA LYS A 23 8.435 3.322 -10.279 1.00 0.49 C ATOM 320 C LYS A 23 9.519 2.328 -9.880 1.00 0.43 C ATOM 321 O LYS A 23 10.087 1.637 -10.727 1.00 0.51 O ATOM 322 CB LYS A 23 9.062 4.694 -10.537 1.00 0.56 C ATOM 323 CG LYS A 23 10.127 4.690 -11.624 1.00 0.93 C ATOM 324 CD LYS A 23 9.548 4.329 -12.984 1.00 1.62 C ATOM 325 CE LYS A 23 8.523 5.354 -13.446 1.00 2.52 C ATOM 326 NZ LYS A 23 9.111 6.718 -13.552 1.00 3.23 N ATOM 0 H LYS A 23 7.283 4.355 -8.859 1.00 0.45 H new ATOM 0 HA LYS A 23 7.957 2.970 -11.193 1.00 0.49 H new ATOM 0 HB2 LYS A 23 8.276 5.396 -10.815 1.00 0.56 H new ATOM 0 HB3 LYS A 23 9.504 5.061 -9.610 1.00 0.56 H new ATOM 0 HG2 LYS A 23 10.595 5.673 -11.678 1.00 0.93 H new ATOM 0 HG3 LYS A 23 10.910 3.978 -11.362 1.00 0.93 H new ATOM 0 HD2 LYS A 23 10.352 4.262 -13.717 1.00 1.62 H new ATOM 0 HD3 LYS A 23 9.082 3.345 -12.932 1.00 1.62 H new ATOM 0 HE2 LYS A 23 8.122 5.055 -14.414 1.00 2.52 H new ATOM 0 HE3 LYS A 23 7.687 5.372 -12.747 1.00 2.52 H new ATOM 0 HZ1 LYS A 23 8.465 7.334 -14.087 1.00 3.23 H new ATOM 0 HZ2 LYS A 23 9.253 7.110 -12.599 1.00 3.23 H new ATOM 0 HZ3 LYS A 23 10.025 6.665 -14.045 1.00 3.23 H new ATOM 340 N ALA A 24 9.804 2.269 -8.585 1.00 0.37 N ATOM 341 CA ALA A 24 10.824 1.369 -8.064 1.00 0.41 C ATOM 342 C ALA A 24 10.412 -0.090 -8.220 1.00 0.41 C ATOM 343 O ALA A 24 11.265 -0.975 -8.280 1.00 0.43 O ATOM 344 CB ALA A 24 11.104 1.685 -6.602 1.00 0.46 C ATOM 0 H ALA A 24 9.341 2.836 -7.875 1.00 0.37 H new ATOM 0 HA ALA A 24 11.734 1.522 -8.644 1.00 0.41 H new ATOM 0 HB1 ALA A 24 11.868 1.006 -6.223 1.00 0.46 H new ATOM 0 HB2 ALA A 24 11.455 2.713 -6.513 1.00 0.46 H new ATOM 0 HB3 ALA A 24 10.189 1.563 -6.022 1.00 0.46 H new ATOM 350 N LEU A 25 9.107 -0.340 -8.291 1.00 0.43 N ATOM 351 CA LEU A 25 8.603 -1.702 -8.443 1.00 0.48 C ATOM 352 C LEU A 25 8.978 -2.260 -9.810 1.00 0.49 C ATOM 353 O LEU A 25 9.259 -3.451 -9.950 1.00 0.57 O ATOM 354 CB LEU A 25 7.080 -1.738 -8.261 1.00 0.53 C ATOM 355 CG LEU A 25 6.569 -1.305 -6.882 1.00 0.70 C ATOM 356 CD1 LEU A 25 5.049 -1.264 -6.864 1.00 0.95 C ATOM 357 CD2 LEU A 25 7.082 -2.245 -5.801 1.00 1.00 C ATOM 0 H LEU A 25 8.384 0.378 -8.246 1.00 0.43 H new ATOM 0 HA LEU A 25 9.061 -2.322 -7.673 1.00 0.48 H new ATOM 0 HB2 LEU A 25 6.626 -1.095 -9.015 1.00 0.53 H new ATOM 0 HB3 LEU A 25 6.732 -2.753 -8.456 1.00 0.53 H new ATOM 0 HG LEU A 25 6.947 -0.303 -6.679 1.00 0.70 H new ATOM 0 HD11 LEU A 25 4.705 -0.955 -5.877 1.00 0.95 H new ATOM 0 HD12 LEU A 25 4.695 -0.553 -7.611 1.00 0.95 H new ATOM 0 HD13 LEU A 25 4.656 -2.255 -7.091 1.00 0.95 H new ATOM 0 HD21 LEU A 25 6.708 -1.921 -4.830 1.00 1.00 H new ATOM 0 HD22 LEU A 25 6.734 -3.258 -6.004 1.00 1.00 H new ATOM 0 HD23 LEU A 25 8.172 -2.231 -5.794 1.00 1.00 H new ATOM 369 N GLY A 26 8.987 -1.390 -10.816 1.00 0.47 N ATOM 370 CA GLY A 26 9.339 -1.811 -12.156 1.00 0.53 C ATOM 371 C GLY A 26 10.795 -2.221 -12.260 1.00 0.50 C ATOM 372 O GLY A 26 11.187 -2.918 -13.196 1.00 0.64 O ATOM 0 H GLY A 26 8.756 -0.401 -10.725 1.00 0.47 H new ATOM 0 HA2 GLY A 26 8.705 -2.647 -12.451 1.00 0.53 H new ATOM 0 HA3 GLY A 26 9.141 -0.998 -12.855 1.00 0.53 H new ATOM 376 N ASP A 27 11.595 -1.787 -11.290 1.00 0.43 N ATOM 377 CA ASP A 27 13.015 -2.111 -11.263 1.00 0.46 C ATOM 378 C ASP A 27 13.275 -3.279 -10.317 1.00 0.41 C ATOM 379 O ASP A 27 14.251 -4.013 -10.472 1.00 0.56 O ATOM 380 CB ASP A 27 13.829 -0.888 -10.827 1.00 0.59 C ATOM 381 CG ASP A 27 15.327 -1.109 -10.934 1.00 1.05 C ATOM 382 OD1 ASP A 27 15.740 -2.184 -11.418 1.00 1.50 O ATOM 383 OD2 ASP A 27 16.089 -0.201 -10.542 1.00 1.48 O ATOM 0 H ASP A 27 11.281 -1.208 -10.511 1.00 0.43 H new ATOM 0 HA ASP A 27 13.325 -2.400 -12.267 1.00 0.46 H new ATOM 0 HB2 ASP A 27 13.548 -0.033 -11.441 1.00 0.59 H new ATOM 0 HB3 ASP A 27 13.576 -0.638 -9.797 1.00 0.59 H new ATOM 388 N ILE A 28 12.388 -3.446 -9.337 1.00 0.37 N ATOM 389 CA ILE A 28 12.516 -4.527 -8.366 1.00 0.36 C ATOM 390 C ILE A 28 12.699 -5.876 -9.059 1.00 0.42 C ATOM 391 O ILE A 28 12.038 -6.166 -10.057 1.00 0.47 O ATOM 392 CB ILE A 28 11.290 -4.592 -7.426 1.00 0.41 C ATOM 393 CG1 ILE A 28 11.301 -3.395 -6.468 1.00 0.45 C ATOM 394 CG2 ILE A 28 11.262 -5.902 -6.646 1.00 0.47 C ATOM 395 CD1 ILE A 28 10.157 -3.396 -5.476 1.00 1.27 C ATOM 0 H ILE A 28 11.575 -2.847 -9.196 1.00 0.37 H new ATOM 0 HA ILE A 28 13.403 -4.312 -7.770 1.00 0.36 H new ATOM 0 HB ILE A 28 10.388 -4.550 -8.036 1.00 0.41 H new ATOM 0 HG12 ILE A 28 12.244 -3.388 -5.921 1.00 0.45 H new ATOM 0 HG13 ILE A 28 11.264 -2.475 -7.051 1.00 0.45 H new ATOM 0 HG21 ILE A 28 10.389 -5.919 -5.994 1.00 0.47 H new ATOM 0 HG22 ILE A 28 11.211 -6.739 -7.342 1.00 0.47 H new ATOM 0 HG23 ILE A 28 12.166 -5.986 -6.044 1.00 0.47 H new ATOM 0 HD11 ILE A 28 10.232 -2.519 -4.833 1.00 1.27 H new ATOM 0 HD12 ILE A 28 9.209 -3.371 -6.014 1.00 1.27 H new ATOM 0 HD13 ILE A 28 10.205 -4.298 -4.866 1.00 1.27 H new ATOM 407 N PRO A 29 13.601 -6.722 -8.526 1.00 0.49 N ATOM 408 CA PRO A 29 13.872 -8.052 -9.083 1.00 0.65 C ATOM 409 C PRO A 29 12.609 -8.894 -9.180 1.00 0.73 C ATOM 410 O PRO A 29 11.885 -9.057 -8.200 1.00 0.77 O ATOM 411 CB PRO A 29 14.856 -8.675 -8.082 1.00 0.75 C ATOM 412 CG PRO A 29 14.738 -7.839 -6.852 1.00 0.74 C ATOM 413 CD PRO A 29 14.414 -6.457 -7.335 1.00 0.51 C ATOM 0 HA PRO A 29 14.265 -7.997 -10.098 1.00 0.65 H new ATOM 0 HB2 PRO A 29 14.605 -9.716 -7.877 1.00 0.75 H new ATOM 0 HB3 PRO A 29 15.874 -8.664 -8.471 1.00 0.75 H new ATOM 0 HG2 PRO A 29 13.956 -8.218 -6.194 1.00 0.74 H new ATOM 0 HG3 PRO A 29 15.667 -7.847 -6.281 1.00 0.74 H new ATOM 0 HD2 PRO A 29 13.865 -5.884 -6.588 1.00 0.51 H new ATOM 0 HD3 PRO A 29 15.313 -5.889 -7.575 1.00 0.51 H new ATOM 421 N GLU A 30 12.349 -9.424 -10.372 1.00 0.83 N ATOM 422 CA GLU A 30 11.169 -10.248 -10.603 1.00 0.95 C ATOM 423 C GLU A 30 9.910 -9.483 -10.225 1.00 0.84 C ATOM 424 O GLU A 30 9.143 -9.918 -9.370 1.00 1.18 O ATOM 425 CB GLU A 30 11.255 -11.540 -9.795 1.00 1.17 C ATOM 426 CG GLU A 30 12.587 -12.242 -9.941 1.00 1.47 C ATOM 427 CD GLU A 30 12.566 -13.661 -9.407 1.00 2.16 C ATOM 428 OE1 GLU A 30 11.773 -14.478 -9.923 1.00 2.84 O ATOM 429 OE2 GLU A 30 13.340 -13.956 -8.473 1.00 2.65 O ATOM 0 H GLU A 30 12.941 -9.297 -11.193 1.00 0.83 H new ATOM 0 HA GLU A 30 11.126 -10.499 -11.663 1.00 0.95 H new ATOM 0 HB2 GLU A 30 11.082 -11.316 -8.742 1.00 1.17 H new ATOM 0 HB3 GLU A 30 10.459 -12.214 -10.112 1.00 1.17 H new ATOM 0 HG2 GLU A 30 12.870 -12.259 -10.994 1.00 1.47 H new ATOM 0 HG3 GLU A 30 13.352 -11.672 -9.414 1.00 1.47 H new ATOM 436 N SER A 31 9.712 -8.337 -10.862 1.00 0.60 N ATOM 437 CA SER A 31 8.549 -7.499 -10.589 1.00 0.54 C ATOM 438 C SER A 31 8.269 -6.556 -11.754 1.00 0.47 C ATOM 439 O SER A 31 9.183 -5.919 -12.279 1.00 0.59 O ATOM 440 CB SER A 31 8.764 -6.689 -9.308 1.00 0.57 C ATOM 441 OG SER A 31 8.963 -7.539 -8.191 1.00 1.37 O ATOM 0 H SER A 31 10.342 -7.965 -11.573 1.00 0.60 H new ATOM 0 HA SER A 31 7.688 -8.154 -10.458 1.00 0.54 H new ATOM 0 HB2 SER A 31 9.628 -6.035 -9.429 1.00 0.57 H new ATOM 0 HB3 SER A 31 7.901 -6.048 -9.131 1.00 0.57 H new ATOM 0 HG SER A 31 8.670 -8.447 -8.415 1.00 1.37 H new ATOM 447 N HIS A 32 7.003 -6.468 -12.152 1.00 0.38 N ATOM 448 CA HIS A 32 6.604 -5.601 -13.256 1.00 0.42 C ATOM 449 C HIS A 32 5.189 -5.070 -13.046 1.00 0.39 C ATOM 450 O HIS A 32 4.218 -5.795 -13.231 1.00 0.39 O ATOM 451 CB HIS A 32 6.674 -6.359 -14.584 1.00 0.52 C ATOM 452 CG HIS A 32 8.045 -6.841 -14.938 1.00 1.10 C ATOM 453 ND1 HIS A 32 9.124 -5.996 -15.093 1.00 1.90 N ATOM 454 CD2 HIS A 32 8.513 -8.091 -15.170 1.00 1.90 C ATOM 455 CE1 HIS A 32 10.196 -6.705 -15.407 1.00 2.46 C ATOM 456 NE2 HIS A 32 9.849 -7.979 -15.459 1.00 2.42 N ATOM 0 H HIS A 32 6.235 -6.987 -11.726 1.00 0.38 H new ATOM 0 HA HIS A 32 7.295 -4.759 -13.286 1.00 0.42 H new ATOM 0 HB2 HIS A 32 6.000 -7.214 -14.538 1.00 0.52 H new ATOM 0 HB3 HIS A 32 6.311 -5.710 -15.381 1.00 0.52 H new ATOM 0 HD2 HIS A 32 7.940 -9.006 -15.134 1.00 1.90 H new ATOM 0 HE1 HIS A 32 11.185 -6.310 -15.589 1.00 2.46 H new ATOM 0 HE2 HIS A 32 10.474 -8.754 -15.679 1.00 2.42 H new ATOM 465 N ILE A 33 5.079 -3.805 -12.655 1.00 0.42 N ATOM 466 CA ILE A 33 3.775 -3.194 -12.420 1.00 0.42 C ATOM 467 C ILE A 33 2.871 -3.303 -13.643 1.00 0.41 C ATOM 468 O ILE A 33 3.281 -3.005 -14.765 1.00 0.48 O ATOM 469 CB ILE A 33 3.908 -1.715 -12.003 1.00 0.51 C ATOM 470 CG1 ILE A 33 4.340 -1.628 -10.542 1.00 0.61 C ATOM 471 CG2 ILE A 33 2.595 -0.968 -12.221 1.00 0.79 C ATOM 472 CD1 ILE A 33 4.491 -0.210 -10.038 1.00 0.70 C ATOM 0 H ILE A 33 5.873 -3.185 -12.495 1.00 0.42 H new ATOM 0 HA ILE A 33 3.317 -3.748 -11.601 1.00 0.42 H new ATOM 0 HB ILE A 33 4.668 -1.243 -12.626 1.00 0.51 H new ATOM 0 HG12 ILE A 33 3.608 -2.148 -9.924 1.00 0.61 H new ATOM 0 HG13 ILE A 33 5.289 -2.151 -10.421 1.00 0.61 H new ATOM 0 HG21 ILE A 33 2.714 0.073 -11.920 1.00 0.79 H new ATOM 0 HG22 ILE A 33 2.322 -1.012 -13.275 1.00 0.79 H new ATOM 0 HG23 ILE A 33 1.809 -1.431 -11.624 1.00 0.79 H new ATOM 0 HD11 ILE A 33 4.800 -0.226 -8.993 1.00 0.70 H new ATOM 0 HD12 ILE A 33 5.244 0.309 -10.631 1.00 0.70 H new ATOM 0 HD13 ILE A 33 3.538 0.311 -10.126 1.00 0.70 H new ATOM 484 N LEU A 34 1.633 -3.731 -13.406 1.00 0.39 N ATOM 485 CA LEU A 34 0.653 -3.881 -14.473 1.00 0.40 C ATOM 486 C LEU A 34 -0.137 -2.590 -14.662 1.00 0.37 C ATOM 487 O LEU A 34 -0.175 -2.030 -15.758 1.00 0.50 O ATOM 488 CB LEU A 34 -0.301 -5.037 -14.151 1.00 0.43 C ATOM 489 CG LEU A 34 -1.377 -5.309 -15.207 1.00 0.66 C ATOM 490 CD1 LEU A 34 -0.741 -5.712 -16.529 1.00 1.42 C ATOM 491 CD2 LEU A 34 -2.334 -6.389 -14.724 1.00 1.39 C ATOM 0 H LEU A 34 1.286 -3.980 -12.480 1.00 0.39 H new ATOM 0 HA LEU A 34 1.182 -4.102 -15.400 1.00 0.40 H new ATOM 0 HB2 LEU A 34 0.287 -5.944 -14.013 1.00 0.43 H new ATOM 0 HB3 LEU A 34 -0.792 -4.828 -13.201 1.00 0.43 H new ATOM 0 HG LEU A 34 -1.943 -4.391 -15.366 1.00 0.66 H new ATOM 0 HD11 LEU A 34 -1.522 -5.901 -17.266 1.00 1.42 H new ATOM 0 HD12 LEU A 34 -0.096 -4.908 -16.882 1.00 1.42 H new ATOM 0 HD13 LEU A 34 -0.149 -6.616 -16.387 1.00 1.42 H new ATOM 0 HD21 LEU A 34 -3.092 -6.570 -15.486 1.00 1.39 H new ATOM 0 HD22 LEU A 34 -1.780 -7.309 -14.537 1.00 1.39 H new ATOM 0 HD23 LEU A 34 -2.816 -6.062 -13.803 1.00 1.39 H new ATOM 503 N THR A 35 -0.767 -2.121 -13.587 1.00 0.30 N ATOM 504 CA THR A 35 -1.554 -0.892 -13.639 1.00 0.33 C ATOM 505 C THR A 35 -1.209 0.035 -12.486 1.00 0.34 C ATOM 506 O THR A 35 -0.411 -0.302 -11.612 1.00 0.44 O ATOM 507 CB THR A 35 -3.049 -1.210 -13.630 1.00 0.39 C ATOM 508 OG1 THR A 35 -3.809 -0.095 -13.194 1.00 0.97 O ATOM 509 CG2 THR A 35 -3.415 -2.392 -12.761 1.00 0.93 C ATOM 0 H THR A 35 -0.748 -2.572 -12.672 1.00 0.30 H new ATOM 0 HA THR A 35 -1.307 -0.381 -14.570 1.00 0.33 H new ATOM 0 HB THR A 35 -3.285 -1.461 -14.664 1.00 0.39 H new ATOM 0 HG1 THR A 35 -4.761 -0.326 -13.200 1.00 0.97 H new ATOM 0 HG21 THR A 35 -4.492 -2.557 -12.805 1.00 0.93 H new ATOM 0 HG22 THR A 35 -2.897 -3.281 -13.120 1.00 0.93 H new ATOM 0 HG23 THR A 35 -3.121 -2.191 -11.731 1.00 0.93 H new ATOM 517 N VAL A 36 -1.823 1.207 -12.500 1.00 0.33 N ATOM 518 CA VAL A 36 -1.597 2.208 -11.463 1.00 0.39 C ATOM 519 C VAL A 36 -2.900 2.896 -11.071 1.00 0.36 C ATOM 520 O VAL A 36 -3.741 3.185 -11.923 1.00 0.38 O ATOM 521 CB VAL A 36 -0.585 3.278 -11.924 1.00 0.51 C ATOM 522 CG1 VAL A 36 -0.314 4.277 -10.809 1.00 1.05 C ATOM 523 CG2 VAL A 36 0.709 2.627 -12.390 1.00 1.21 C ATOM 0 H VAL A 36 -2.486 1.492 -13.221 1.00 0.33 H new ATOM 0 HA VAL A 36 -1.191 1.682 -10.599 1.00 0.39 H new ATOM 0 HB VAL A 36 -1.018 3.818 -12.766 1.00 0.51 H new ATOM 0 HG11 VAL A 36 0.402 5.023 -11.155 1.00 1.05 H new ATOM 0 HG12 VAL A 36 -1.245 4.770 -10.528 1.00 1.05 H new ATOM 0 HG13 VAL A 36 0.095 3.755 -9.944 1.00 1.05 H new ATOM 0 HG21 VAL A 36 1.409 3.398 -12.711 1.00 1.21 H new ATOM 0 HG22 VAL A 36 1.146 2.058 -11.569 1.00 1.21 H new ATOM 0 HG23 VAL A 36 0.500 1.957 -13.224 1.00 1.21 H new ATOM 533 N SER A 37 -3.062 3.157 -9.776 1.00 0.35 N ATOM 534 CA SER A 37 -4.263 3.814 -9.274 1.00 0.35 C ATOM 535 C SER A 37 -4.207 5.318 -9.563 1.00 0.40 C ATOM 536 O SER A 37 -3.839 5.724 -10.665 1.00 0.72 O ATOM 537 CB SER A 37 -4.415 3.554 -7.771 1.00 0.36 C ATOM 538 OG SER A 37 -3.387 4.196 -7.035 1.00 1.35 O ATOM 0 H SER A 37 -2.377 2.923 -9.057 1.00 0.35 H new ATOM 0 HA SER A 37 -5.133 3.401 -9.785 1.00 0.35 H new ATOM 0 HB2 SER A 37 -5.387 3.913 -7.433 1.00 0.36 H new ATOM 0 HB3 SER A 37 -4.388 2.481 -7.580 1.00 0.36 H new ATOM 0 HG SER A 37 -2.637 3.577 -6.913 1.00 1.35 H new ATOM 544 N SER A 38 -4.562 6.141 -8.578 1.00 0.43 N ATOM 545 CA SER A 38 -4.535 7.590 -8.750 1.00 0.45 C ATOM 546 C SER A 38 -4.186 8.277 -7.438 1.00 0.47 C ATOM 547 O SER A 38 -3.826 7.619 -6.461 1.00 0.70 O ATOM 548 CB SER A 38 -5.884 8.092 -9.270 1.00 0.50 C ATOM 549 OG SER A 38 -6.195 7.515 -10.527 1.00 1.19 O ATOM 0 H SER A 38 -4.870 5.830 -7.657 1.00 0.43 H new ATOM 0 HA SER A 38 -3.767 7.834 -9.484 1.00 0.45 H new ATOM 0 HB2 SER A 38 -6.667 7.849 -8.552 1.00 0.50 H new ATOM 0 HB3 SER A 38 -5.861 9.178 -9.361 1.00 0.50 H new ATOM 0 HG SER A 38 -7.062 7.851 -10.836 1.00 1.19 H new ATOM 555 N PHE A 39 -4.290 9.601 -7.414 1.00 0.38 N ATOM 556 CA PHE A 39 -3.978 10.364 -6.214 1.00 0.43 C ATOM 557 C PHE A 39 -5.231 10.628 -5.388 1.00 0.40 C ATOM 558 O PHE A 39 -6.245 11.101 -5.901 1.00 0.65 O ATOM 559 CB PHE A 39 -3.274 11.678 -6.580 1.00 0.59 C ATOM 560 CG PHE A 39 -3.968 12.482 -7.645 1.00 1.42 C ATOM 561 CD1 PHE A 39 -5.098 13.224 -7.340 1.00 1.93 C ATOM 562 CD2 PHE A 39 -3.494 12.498 -8.949 1.00 2.21 C ATOM 563 CE1 PHE A 39 -5.742 13.967 -8.313 1.00 2.75 C ATOM 564 CE2 PHE A 39 -4.135 13.239 -9.924 1.00 3.01 C ATOM 565 CZ PHE A 39 -5.241 13.966 -9.624 1.00 3.17 C ATOM 0 H PHE A 39 -4.587 10.166 -8.210 1.00 0.38 H new ATOM 0 HA PHE A 39 -3.299 9.770 -5.602 1.00 0.43 H new ATOM 0 HB2 PHE A 39 -3.184 12.289 -5.682 1.00 0.59 H new ATOM 0 HB3 PHE A 39 -2.262 11.452 -6.915 1.00 0.59 H new ATOM 0 HD1 PHE A 39 -5.481 13.222 -6.330 1.00 1.93 H new ATOM 0 HD2 PHE A 39 -2.615 11.925 -9.205 1.00 2.21 H new ATOM 0 HE1 PHE A 39 -6.622 14.542 -8.066 1.00 2.75 H new ATOM 0 HE2 PHE A 39 -3.752 13.239 -10.934 1.00 3.01 H new ATOM 0 HZ PHE A 39 -5.735 14.543 -10.392 1.00 3.17 H new ATOM 575 N TYR A 40 -5.157 10.307 -4.102 1.00 0.38 N ATOM 576 CA TYR A 40 -6.280 10.502 -3.194 1.00 0.37 C ATOM 577 C TYR A 40 -5.797 11.017 -1.845 1.00 0.40 C ATOM 578 O TYR A 40 -4.719 10.650 -1.379 1.00 0.53 O ATOM 579 CB TYR A 40 -7.052 9.193 -2.990 1.00 0.44 C ATOM 580 CG TYR A 40 -7.581 8.578 -4.265 1.00 0.49 C ATOM 581 CD1 TYR A 40 -6.753 7.826 -5.090 1.00 0.49 C ATOM 582 CD2 TYR A 40 -8.904 8.756 -4.652 1.00 0.59 C ATOM 583 CE1 TYR A 40 -7.228 7.266 -6.259 1.00 0.57 C ATOM 584 CE2 TYR A 40 -9.387 8.199 -5.821 1.00 0.67 C ATOM 585 CZ TYR A 40 -8.565 7.442 -6.605 1.00 0.66 C ATOM 586 OH TYR A 40 -9.024 6.897 -7.783 1.00 0.76 O ATOM 0 H TYR A 40 -4.327 9.909 -3.663 1.00 0.38 H new ATOM 0 HA TYR A 40 -6.944 11.240 -3.644 1.00 0.37 H new ATOM 0 HB2 TYR A 40 -6.399 8.473 -2.497 1.00 0.44 H new ATOM 0 HB3 TYR A 40 -7.888 9.379 -2.316 1.00 0.44 H new ATOM 0 HD1 TYR A 40 -5.720 7.677 -4.812 1.00 0.49 H new ATOM 0 HD2 TYR A 40 -9.566 9.339 -4.029 1.00 0.59 H new ATOM 0 HE1 TYR A 40 -6.569 6.697 -6.899 1.00 0.57 H new ATOM 0 HE2 TYR A 40 -10.414 8.362 -6.114 1.00 0.67 H new ATOM 0 HH TYR A 40 -8.504 6.094 -7.996 1.00 0.76 H new ATOM 596 N ARG A 41 -6.610 11.851 -1.209 1.00 0.43 N ATOM 597 CA ARG A 41 -6.268 12.394 0.099 1.00 0.50 C ATOM 598 C ARG A 41 -6.664 11.364 1.160 1.00 0.54 C ATOM 599 O ARG A 41 -7.779 10.845 1.126 1.00 0.67 O ATOM 600 CB ARG A 41 -7.004 13.723 0.318 1.00 0.66 C ATOM 601 CG ARG A 41 -6.262 14.715 1.196 1.00 0.69 C ATOM 602 CD ARG A 41 -7.116 15.934 1.505 1.00 0.94 C ATOM 603 NE ARG A 41 -6.415 16.889 2.362 1.00 1.56 N ATOM 604 CZ ARG A 41 -6.930 18.054 2.741 1.00 2.07 C ATOM 605 NH1 ARG A 41 -8.138 18.416 2.332 1.00 2.32 N ATOM 606 NH2 ARG A 41 -6.233 18.862 3.529 1.00 2.95 N ATOM 0 H ARG A 41 -7.508 12.165 -1.576 1.00 0.43 H new ATOM 0 HA ARG A 41 -5.198 12.592 0.167 1.00 0.50 H new ATOM 0 HB2 ARG A 41 -7.192 14.184 -0.652 1.00 0.66 H new ATOM 0 HB3 ARG A 41 -7.976 13.516 0.766 1.00 0.66 H new ATOM 0 HG2 ARG A 41 -5.968 14.230 2.127 1.00 0.69 H new ATOM 0 HG3 ARG A 41 -5.345 15.029 0.697 1.00 0.69 H new ATOM 0 HD2 ARG A 41 -7.400 16.423 0.573 1.00 0.94 H new ATOM 0 HD3 ARG A 41 -8.038 15.617 1.993 1.00 0.94 H new ATOM 0 HE ARG A 41 -5.479 16.648 2.687 1.00 1.56 H new ATOM 0 HH11 ARG A 41 -8.677 17.799 1.724 1.00 2.32 H new ATOM 0 HH12 ARG A 41 -8.529 19.311 2.626 1.00 2.32 H new ATOM 0 HH21 ARG A 41 -5.302 18.589 3.844 1.00 2.95 H new ATOM 0 HH22 ARG A 41 -6.628 19.756 3.820 1.00 2.95 H new ATOM 620 N THR A 42 -5.751 11.024 2.075 1.00 0.61 N ATOM 621 CA THR A 42 -6.064 9.995 3.088 1.00 0.73 C ATOM 622 C THR A 42 -5.243 10.141 4.373 1.00 0.84 C ATOM 623 O THR A 42 -4.078 9.751 4.420 1.00 1.10 O ATOM 624 CB THR A 42 -5.833 8.612 2.490 1.00 0.81 C ATOM 625 OG1 THR A 42 -6.029 7.602 3.461 1.00 1.30 O ATOM 626 CG2 THR A 42 -4.445 8.442 1.916 1.00 1.28 C ATOM 0 H THR A 42 -4.816 11.427 2.141 1.00 0.61 H new ATOM 0 HA THR A 42 -7.109 10.129 3.366 1.00 0.73 H new ATOM 0 HB THR A 42 -6.559 8.519 1.682 1.00 0.81 H new ATOM 0 HG1 THR A 42 -5.876 6.723 3.055 1.00 1.30 H new ATOM 0 HG21 THR A 42 -4.342 7.438 1.505 1.00 1.28 H new ATOM 0 HG22 THR A 42 -4.286 9.175 1.125 1.00 1.28 H new ATOM 0 HG23 THR A 42 -3.705 8.590 2.703 1.00 1.28 H new ATOM 634 N PRO A 43 -5.858 10.681 5.445 1.00 0.74 N ATOM 635 CA PRO A 43 -5.202 10.885 6.744 1.00 0.86 C ATOM 636 C PRO A 43 -4.206 9.787 7.123 1.00 0.90 C ATOM 637 O PRO A 43 -4.584 8.626 7.260 1.00 0.94 O ATOM 638 CB PRO A 43 -6.382 10.892 7.707 1.00 0.98 C ATOM 639 CG PRO A 43 -7.494 11.505 6.924 1.00 0.87 C ATOM 640 CD PRO A 43 -7.268 11.117 5.482 1.00 0.71 C ATOM 0 HA PRO A 43 -4.596 11.791 6.748 1.00 0.86 H new ATOM 0 HB2 PRO A 43 -6.635 9.883 8.034 1.00 0.98 H new ATOM 0 HB3 PRO A 43 -6.160 11.471 8.603 1.00 0.98 H new ATOM 0 HG2 PRO A 43 -8.461 11.145 7.276 1.00 0.87 H new ATOM 0 HG3 PRO A 43 -7.497 12.589 7.038 1.00 0.87 H new ATOM 0 HD2 PRO A 43 -7.941 10.317 5.174 1.00 0.71 H new ATOM 0 HD3 PRO A 43 -7.443 11.957 4.811 1.00 0.71 H new ATOM 648 N PRO A 44 -2.912 10.141 7.292 1.00 0.98 N ATOM 649 CA PRO A 44 -1.868 9.177 7.655 1.00 1.12 C ATOM 650 C PRO A 44 -2.279 8.229 8.779 1.00 1.19 C ATOM 651 O PRO A 44 -2.236 7.010 8.612 1.00 2.06 O ATOM 652 CB PRO A 44 -0.732 10.080 8.124 1.00 1.28 C ATOM 653 CG PRO A 44 -0.871 11.296 7.292 1.00 1.18 C ATOM 654 CD PRO A 44 -2.348 11.504 7.125 1.00 1.03 C ATOM 0 HA PRO A 44 -1.621 8.519 6.822 1.00 1.12 H new ATOM 0 HB2 PRO A 44 -0.819 10.311 9.186 1.00 1.28 H new ATOM 0 HB3 PRO A 44 0.239 9.607 7.979 1.00 1.28 H new ATOM 0 HG2 PRO A 44 -0.406 12.156 7.774 1.00 1.18 H new ATOM 0 HG3 PRO A 44 -0.381 11.168 6.327 1.00 1.18 H new ATOM 0 HD2 PRO A 44 -2.742 12.195 7.870 1.00 1.03 H new ATOM 0 HD3 PRO A 44 -2.586 11.920 6.146 1.00 1.03 H new ATOM 662 N LEU A 45 -2.640 8.806 9.930 1.00 0.99 N ATOM 663 CA LEU A 45 -3.031 8.035 11.118 1.00 1.03 C ATOM 664 C LEU A 45 -1.791 7.599 11.878 1.00 1.08 C ATOM 665 O LEU A 45 -1.516 6.410 12.047 1.00 1.32 O ATOM 666 CB LEU A 45 -3.914 6.826 10.767 1.00 1.15 C ATOM 667 CG LEU A 45 -5.422 7.086 10.798 1.00 1.53 C ATOM 668 CD1 LEU A 45 -5.795 8.235 9.876 1.00 1.83 C ATOM 669 CD2 LEU A 45 -6.187 5.828 10.413 1.00 2.21 C ATOM 0 H LEU A 45 -2.670 9.817 10.066 1.00 0.99 H new ATOM 0 HA LEU A 45 -3.633 8.685 11.753 1.00 1.03 H new ATOM 0 HB2 LEU A 45 -3.643 6.476 9.771 1.00 1.15 H new ATOM 0 HB3 LEU A 45 -3.687 6.017 11.462 1.00 1.15 H new ATOM 0 HG LEU A 45 -5.696 7.364 11.816 1.00 1.53 H new ATOM 0 HD11 LEU A 45 -6.872 8.399 9.917 1.00 1.83 H new ATOM 0 HD12 LEU A 45 -5.278 9.140 10.195 1.00 1.83 H new ATOM 0 HD13 LEU A 45 -5.503 7.991 8.854 1.00 1.83 H new ATOM 0 HD21 LEU A 45 -7.258 6.031 10.440 1.00 2.21 H new ATOM 0 HD22 LEU A 45 -5.901 5.522 9.407 1.00 2.21 H new ATOM 0 HD23 LEU A 45 -5.951 5.029 11.116 1.00 2.21 H new ATOM 681 N GLY A 46 -1.051 8.598 12.326 1.00 1.09 N ATOM 682 CA GLY A 46 0.172 8.381 13.071 1.00 1.18 C ATOM 683 C GLY A 46 0.665 9.669 13.702 1.00 1.11 C ATOM 684 O GLY A 46 -0.136 10.559 13.994 1.00 1.19 O ATOM 0 H GLY A 46 -1.283 9.581 12.183 1.00 1.09 H new ATOM 0 HA2 GLY A 46 0.001 7.635 13.847 1.00 1.18 H new ATOM 0 HA3 GLY A 46 0.939 7.981 12.408 1.00 1.18 H new ATOM 688 N PRO A 47 1.966 9.790 13.991 1.00 1.12 N ATOM 689 CA PRO A 47 2.531 10.953 14.639 1.00 1.16 C ATOM 690 C PRO A 47 3.460 11.811 13.766 1.00 1.14 C ATOM 691 O PRO A 47 4.070 12.754 14.274 1.00 1.99 O ATOM 692 CB PRO A 47 3.363 10.263 15.699 1.00 1.36 C ATOM 693 CG PRO A 47 3.882 9.017 15.022 1.00 1.39 C ATOM 694 CD PRO A 47 3.005 8.779 13.807 1.00 1.26 C ATOM 0 HA PRO A 47 1.763 11.658 14.957 1.00 1.16 H new ATOM 0 HB2 PRO A 47 4.180 10.900 16.039 1.00 1.36 H new ATOM 0 HB3 PRO A 47 2.764 10.018 16.576 1.00 1.36 H new ATOM 0 HG2 PRO A 47 4.924 9.143 14.728 1.00 1.39 H new ATOM 0 HG3 PRO A 47 3.843 8.164 15.700 1.00 1.39 H new ATOM 0 HD2 PRO A 47 3.551 8.918 12.874 1.00 1.26 H new ATOM 0 HD3 PRO A 47 2.595 7.769 13.789 1.00 1.26 H new ATOM 702 N GLN A 48 3.620 11.479 12.484 1.00 0.95 N ATOM 703 CA GLN A 48 4.541 12.243 11.637 1.00 0.84 C ATOM 704 C GLN A 48 4.099 13.692 11.390 1.00 0.90 C ATOM 705 O GLN A 48 4.890 14.611 11.610 1.00 1.04 O ATOM 706 CB GLN A 48 4.860 11.521 10.314 1.00 0.83 C ATOM 707 CG GLN A 48 3.686 10.835 9.624 1.00 1.00 C ATOM 708 CD GLN A 48 2.561 11.770 9.251 1.00 1.29 C ATOM 709 OE1 GLN A 48 2.750 12.713 8.487 1.00 2.23 O ATOM 710 NE2 GLN A 48 1.377 11.506 9.777 1.00 1.15 N ATOM 0 H GLN A 48 3.140 10.709 12.018 1.00 0.95 H new ATOM 0 HA GLN A 48 5.465 12.303 12.213 1.00 0.84 H new ATOM 0 HB2 GLN A 48 5.288 12.246 9.622 1.00 0.83 H new ATOM 0 HB3 GLN A 48 5.629 10.773 10.508 1.00 0.83 H new ATOM 0 HG2 GLN A 48 4.047 10.340 8.723 1.00 1.00 H new ATOM 0 HG3 GLN A 48 3.296 10.057 10.281 1.00 1.00 H new ATOM 0 HE21 GLN A 48 1.265 10.712 10.407 1.00 1.15 H new ATOM 0 HE22 GLN A 48 0.576 12.096 9.552 1.00 1.15 H new ATOM 719 N ASP A 49 2.861 13.914 10.946 1.00 0.99 N ATOM 720 CA ASP A 49 2.387 15.279 10.690 1.00 1.16 C ATOM 721 C ASP A 49 0.953 15.303 10.177 1.00 1.20 C ATOM 722 O ASP A 49 0.185 16.211 10.502 1.00 1.33 O ATOM 723 CB ASP A 49 3.302 15.986 9.684 1.00 1.28 C ATOM 724 CG ASP A 49 2.901 17.428 9.433 1.00 1.51 C ATOM 725 OD1 ASP A 49 1.785 17.652 8.923 1.00 1.70 O ATOM 726 OD2 ASP A 49 3.702 18.334 9.747 1.00 1.81 O ATOM 0 H ASP A 49 2.177 13.181 10.758 1.00 0.99 H new ATOM 0 HA ASP A 49 2.412 15.807 11.643 1.00 1.16 H new ATOM 0 HB2 ASP A 49 4.328 15.958 10.052 1.00 1.28 H new ATOM 0 HB3 ASP A 49 3.287 15.440 8.741 1.00 1.28 H new ATOM 731 N GLN A 50 0.602 14.311 9.365 1.00 1.19 N ATOM 732 CA GLN A 50 -0.739 14.217 8.787 1.00 1.31 C ATOM 733 C GLN A 50 -1.127 15.542 8.140 1.00 1.33 C ATOM 734 O GLN A 50 -1.986 16.270 8.640 1.00 1.40 O ATOM 735 CB GLN A 50 -1.775 13.783 9.836 1.00 1.42 C ATOM 736 CG GLN A 50 -1.196 13.577 11.226 1.00 1.67 C ATOM 737 CD GLN A 50 -1.489 12.207 11.798 1.00 1.43 C ATOM 738 OE1 GLN A 50 -0.506 11.318 11.719 1.00 2.03 O flip ATOM 739 NE2 GLN A 50 -2.593 11.940 12.275 1.00 1.24 N flip ATOM 0 H GLN A 50 1.230 13.556 9.090 1.00 1.19 H new ATOM 0 HA GLN A 50 -0.725 13.448 8.015 1.00 1.31 H new ATOM 0 HB2 GLN A 50 -2.561 14.536 9.889 1.00 1.42 H new ATOM 0 HB3 GLN A 50 -2.244 12.855 9.507 1.00 1.42 H new ATOM 0 HG2 GLN A 50 -0.117 13.724 11.188 1.00 1.67 H new ATOM 0 HG3 GLN A 50 -1.598 14.337 11.896 1.00 1.67 H new ATOM 0 HE21 GLN A 50 -3.318 12.656 12.315 1.00 1.24 H new ATOM 0 HE22 GLN A 50 -2.782 11.003 12.630 1.00 1.24 H new ATOM 748 N PRO A 51 -0.466 15.873 7.015 1.00 1.35 N ATOM 749 CA PRO A 51 -0.702 17.114 6.279 1.00 1.46 C ATOM 750 C PRO A 51 -1.825 17.013 5.244 1.00 1.54 C ATOM 751 O PRO A 51 -2.967 17.380 5.520 1.00 2.26 O ATOM 752 CB PRO A 51 0.640 17.360 5.590 1.00 1.52 C ATOM 753 CG PRO A 51 1.309 16.022 5.475 1.00 1.53 C ATOM 754 CD PRO A 51 0.579 15.056 6.379 1.00 1.37 C ATOM 0 HA PRO A 51 -1.027 17.916 6.942 1.00 1.46 H new ATOM 0 HB2 PRO A 51 0.495 17.808 4.607 1.00 1.52 H new ATOM 0 HB3 PRO A 51 1.252 18.052 6.168 1.00 1.52 H new ATOM 0 HG2 PRO A 51 1.285 15.671 4.443 1.00 1.53 H new ATOM 0 HG3 PRO A 51 2.358 16.094 5.762 1.00 1.53 H new ATOM 0 HD2 PRO A 51 0.149 14.230 5.813 1.00 1.37 H new ATOM 0 HD3 PRO A 51 1.249 14.620 7.120 1.00 1.37 H new ATOM 762 N ASP A 52 -1.492 16.517 4.051 1.00 1.24 N ATOM 763 CA ASP A 52 -2.475 16.374 2.976 1.00 1.23 C ATOM 764 C ASP A 52 -2.734 14.918 2.686 1.00 0.91 C ATOM 765 O ASP A 52 -3.724 14.588 2.055 1.00 1.55 O ATOM 766 CB ASP A 52 -2.019 17.021 1.682 1.00 1.67 C ATOM 767 CG ASP A 52 -1.474 18.425 1.871 1.00 2.16 C ATOM 768 OD1 ASP A 52 -1.494 18.920 3.018 1.00 2.69 O ATOM 769 OD2 ASP A 52 -1.021 19.030 0.877 1.00 2.56 O ATOM 0 H ASP A 52 -0.551 16.208 3.805 1.00 1.24 H new ATOM 0 HA ASP A 52 -3.378 16.873 3.327 1.00 1.23 H new ATOM 0 HB2 ASP A 52 -1.250 16.399 1.224 1.00 1.67 H new ATOM 0 HB3 ASP A 52 -2.857 17.055 0.986 1.00 1.67 H new ATOM 774 N TYR A 53 -1.850 14.050 3.169 1.00 0.76 N ATOM 775 CA TYR A 53 -1.995 12.614 2.996 1.00 1.08 C ATOM 776 C TYR A 53 -2.387 12.194 1.575 1.00 0.87 C ATOM 777 O TYR A 53 -3.478 12.495 1.100 1.00 0.98 O ATOM 778 CB TYR A 53 -3.013 12.097 4.005 1.00 1.83 C ATOM 779 CG TYR A 53 -3.959 13.147 4.586 1.00 2.62 C ATOM 780 CD1 TYR A 53 -3.563 13.972 5.632 1.00 3.32 C ATOM 781 CD2 TYR A 53 -5.241 13.321 4.074 1.00 3.26 C ATOM 782 CE1 TYR A 53 -4.413 14.929 6.153 1.00 4.46 C ATOM 783 CE2 TYR A 53 -6.095 14.278 4.587 1.00 4.34 C ATOM 784 CZ TYR A 53 -5.691 15.046 5.663 1.00 4.90 C ATOM 785 OH TYR A 53 -6.524 16.034 6.141 1.00 6.13 O ATOM 0 H TYR A 53 -1.017 14.324 3.689 1.00 0.76 H new ATOM 0 HA TYR A 53 -1.015 12.169 3.169 1.00 1.08 H new ATOM 0 HB2 TYR A 53 -3.610 11.321 3.526 1.00 1.83 H new ATOM 0 HB3 TYR A 53 -2.475 11.624 4.827 1.00 1.83 H new ATOM 0 HD1 TYR A 53 -2.571 13.863 6.046 1.00 3.32 H new ATOM 0 HD2 TYR A 53 -5.575 12.696 3.259 1.00 3.26 H new ATOM 0 HE1 TYR A 53 -4.074 15.583 6.943 1.00 4.46 H new ATOM 0 HE2 TYR A 53 -7.072 14.425 4.150 1.00 4.34 H new ATOM 0 HH TYR A 53 -7.391 15.978 5.688 1.00 6.13 H new ATOM 795 N LEU A 54 -1.491 11.466 0.905 1.00 0.72 N ATOM 796 CA LEU A 54 -1.759 10.987 -0.450 1.00 0.59 C ATOM 797 C LEU A 54 -1.350 9.520 -0.604 1.00 0.61 C ATOM 798 O LEU A 54 -0.164 9.194 -0.594 1.00 0.88 O ATOM 799 CB LEU A 54 -1.013 11.840 -1.479 1.00 0.60 C ATOM 800 CG LEU A 54 -1.419 11.606 -2.938 1.00 0.54 C ATOM 801 CD1 LEU A 54 -2.837 12.091 -3.180 1.00 0.92 C ATOM 802 CD2 LEU A 54 -0.451 12.305 -3.878 1.00 1.10 C ATOM 0 H LEU A 54 -0.580 11.197 1.277 1.00 0.72 H new ATOM 0 HA LEU A 54 -2.831 11.071 -0.626 1.00 0.59 H new ATOM 0 HB2 LEU A 54 -1.171 12.891 -1.239 1.00 0.60 H new ATOM 0 HB3 LEU A 54 0.055 11.648 -1.381 1.00 0.60 H new ATOM 0 HG LEU A 54 -1.382 10.535 -3.138 1.00 0.54 H new ATOM 0 HD11 LEU A 54 -3.108 11.917 -4.221 1.00 0.92 H new ATOM 0 HD12 LEU A 54 -3.523 11.548 -2.530 1.00 0.92 H new ATOM 0 HD13 LEU A 54 -2.899 13.157 -2.962 1.00 0.92 H new ATOM 0 HD21 LEU A 54 -0.754 12.128 -4.910 1.00 1.10 H new ATOM 0 HD22 LEU A 54 -0.457 13.376 -3.676 1.00 1.10 H new ATOM 0 HD23 LEU A 54 0.554 11.913 -3.723 1.00 1.10 H new ATOM 814 N ASN A 55 -2.341 8.644 -0.755 1.00 0.50 N ATOM 815 CA ASN A 55 -2.091 7.211 -0.924 1.00 0.58 C ATOM 816 C ASN A 55 -2.513 6.762 -2.315 1.00 0.57 C ATOM 817 O ASN A 55 -3.438 7.324 -2.904 1.00 0.70 O ATOM 818 CB ASN A 55 -2.846 6.405 0.139 1.00 0.82 C ATOM 819 CG ASN A 55 -2.633 4.906 0.020 1.00 1.80 C ATOM 820 OD1 ASN A 55 -2.113 4.298 1.081 1.00 2.63 O flip ATOM 821 ND2 ASN A 55 -2.943 4.299 -1.005 1.00 2.49 N flip ATOM 0 H ASN A 55 -3.328 8.901 -0.764 1.00 0.50 H new ATOM 0 HA ASN A 55 -1.022 7.032 -0.804 1.00 0.58 H new ATOM 0 HB2 ASN A 55 -2.527 6.733 1.128 1.00 0.82 H new ATOM 0 HB3 ASN A 55 -3.911 6.621 0.060 1.00 0.82 H new ATOM 0 HD21 ASN A 55 -3.340 4.805 -1.797 1.00 2.49 H new ATOM 0 HD22 ASN A 55 -2.803 3.290 -1.062 1.00 2.49 H new ATOM 828 N ALA A 56 -1.838 5.746 -2.838 1.00 0.51 N ATOM 829 CA ALA A 56 -2.153 5.226 -4.162 1.00 0.57 C ATOM 830 C ALA A 56 -1.688 3.784 -4.319 1.00 0.54 C ATOM 831 O ALA A 56 -0.489 3.521 -4.425 1.00 0.75 O ATOM 832 CB ALA A 56 -1.522 6.103 -5.234 1.00 0.61 C ATOM 0 H ALA A 56 -1.071 5.267 -2.367 1.00 0.51 H new ATOM 0 HA ALA A 56 -3.237 5.242 -4.279 1.00 0.57 H new ATOM 0 HB1 ALA A 56 -1.764 5.704 -6.219 1.00 0.61 H new ATOM 0 HB2 ALA A 56 -1.909 7.118 -5.148 1.00 0.61 H new ATOM 0 HB3 ALA A 56 -0.440 6.115 -5.104 1.00 0.61 H new ATOM 838 N ALA A 57 -2.638 2.850 -4.343 1.00 0.31 N ATOM 839 CA ALA A 57 -2.304 1.442 -4.497 1.00 0.29 C ATOM 840 C ALA A 57 -1.748 1.163 -5.888 1.00 0.29 C ATOM 841 O ALA A 57 -1.752 2.041 -6.752 1.00 0.39 O ATOM 842 CB ALA A 57 -3.531 0.586 -4.237 1.00 0.33 C ATOM 0 H ALA A 57 -3.636 3.044 -4.258 1.00 0.31 H new ATOM 0 HA ALA A 57 -1.533 1.189 -3.769 1.00 0.29 H new ATOM 0 HB1 ALA A 57 -3.272 -0.466 -4.354 1.00 0.33 H new ATOM 0 HB2 ALA A 57 -3.888 0.761 -3.222 1.00 0.33 H new ATOM 0 HB3 ALA A 57 -4.315 0.848 -4.948 1.00 0.33 H new ATOM 848 N VAL A 58 -1.276 -0.065 -6.110 1.00 0.26 N ATOM 849 CA VAL A 58 -0.730 -0.443 -7.410 1.00 0.27 C ATOM 850 C VAL A 58 -0.555 -1.953 -7.534 1.00 0.27 C ATOM 851 O VAL A 58 0.169 -2.572 -6.754 1.00 0.28 O ATOM 852 CB VAL A 58 0.612 0.259 -7.674 1.00 0.31 C ATOM 853 CG1 VAL A 58 1.600 -0.012 -6.548 1.00 1.20 C ATOM 854 CG2 VAL A 58 1.190 -0.166 -9.015 1.00 0.98 C ATOM 0 H VAL A 58 -1.262 -0.808 -5.411 1.00 0.26 H new ATOM 0 HA VAL A 58 -1.452 -0.120 -8.160 1.00 0.27 H new ATOM 0 HB VAL A 58 0.429 1.333 -7.709 1.00 0.31 H new ATOM 0 HG11 VAL A 58 2.541 0.496 -6.759 1.00 1.20 H new ATOM 0 HG12 VAL A 58 1.191 0.358 -5.608 1.00 1.20 H new ATOM 0 HG13 VAL A 58 1.777 -1.085 -6.469 1.00 1.20 H new ATOM 0 HG21 VAL A 58 2.139 0.344 -9.180 1.00 0.98 H new ATOM 0 HG22 VAL A 58 1.352 -1.244 -9.016 1.00 0.98 H new ATOM 0 HG23 VAL A 58 0.494 0.097 -9.811 1.00 0.98 H new ATOM 864 N ALA A 59 -1.235 -2.541 -8.516 1.00 0.28 N ATOM 865 CA ALA A 59 -1.165 -3.977 -8.737 1.00 0.29 C ATOM 866 C ALA A 59 0.121 -4.363 -9.458 1.00 0.31 C ATOM 867 O ALA A 59 0.182 -4.373 -10.687 1.00 0.50 O ATOM 868 CB ALA A 59 -2.377 -4.441 -9.533 1.00 0.31 C ATOM 0 H ALA A 59 -1.839 -2.042 -9.169 1.00 0.28 H new ATOM 0 HA ALA A 59 -1.165 -4.471 -7.765 1.00 0.29 H new ATOM 0 HB1 ALA A 59 -2.316 -5.517 -9.694 1.00 0.31 H new ATOM 0 HB2 ALA A 59 -3.287 -4.207 -8.980 1.00 0.31 H new ATOM 0 HB3 ALA A 59 -2.397 -3.931 -10.496 1.00 0.31 H new ATOM 874 N LEU A 60 1.150 -4.679 -8.676 1.00 0.28 N ATOM 875 CA LEU A 60 2.445 -5.070 -9.223 1.00 0.28 C ATOM 876 C LEU A 60 2.409 -6.498 -9.754 1.00 0.30 C ATOM 877 O LEU A 60 2.210 -7.446 -8.993 1.00 0.33 O ATOM 878 CB LEU A 60 3.531 -4.947 -8.145 1.00 0.29 C ATOM 879 CG LEU A 60 4.906 -5.514 -8.523 1.00 0.29 C ATOM 880 CD1 LEU A 60 5.471 -4.793 -9.738 1.00 0.35 C ATOM 881 CD2 LEU A 60 5.863 -5.406 -7.345 1.00 0.31 C ATOM 0 H LEU A 60 1.111 -4.672 -7.657 1.00 0.28 H new ATOM 0 HA LEU A 60 2.677 -4.400 -10.051 1.00 0.28 H new ATOM 0 HB2 LEU A 60 3.649 -3.893 -7.892 1.00 0.29 H new ATOM 0 HB3 LEU A 60 3.184 -5.454 -7.245 1.00 0.29 H new ATOM 0 HG LEU A 60 4.786 -6.567 -8.779 1.00 0.29 H new ATOM 0 HD11 LEU A 60 6.446 -5.211 -9.988 1.00 0.35 H new ATOM 0 HD12 LEU A 60 4.794 -4.919 -10.583 1.00 0.35 H new ATOM 0 HD13 LEU A 60 5.578 -3.732 -9.514 1.00 0.35 H new ATOM 0 HD21 LEU A 60 6.834 -5.812 -7.627 1.00 0.31 H new ATOM 0 HD22 LEU A 60 5.975 -4.359 -7.062 1.00 0.31 H new ATOM 0 HD23 LEU A 60 5.466 -5.969 -6.501 1.00 0.31 H new ATOM 893 N GLU A 61 2.628 -6.654 -11.057 1.00 0.32 N ATOM 894 CA GLU A 61 2.644 -7.976 -11.663 1.00 0.36 C ATOM 895 C GLU A 61 4.026 -8.576 -11.465 1.00 0.34 C ATOM 896 O GLU A 61 4.940 -8.341 -12.255 1.00 0.36 O ATOM 897 CB GLU A 61 2.301 -7.891 -13.149 1.00 0.43 C ATOM 898 CG GLU A 61 2.083 -9.244 -13.806 1.00 0.52 C ATOM 899 CD GLU A 61 1.762 -9.133 -15.286 1.00 1.37 C ATOM 900 OE1 GLU A 61 1.699 -7.996 -15.798 1.00 1.88 O ATOM 901 OE2 GLU A 61 1.575 -10.186 -15.931 1.00 2.11 O ATOM 0 H GLU A 61 2.795 -5.886 -11.707 1.00 0.32 H new ATOM 0 HA GLU A 61 1.894 -8.610 -11.189 1.00 0.36 H new ATOM 0 HB2 GLU A 61 1.400 -7.289 -13.271 1.00 0.43 H new ATOM 0 HB3 GLU A 61 3.105 -7.370 -13.669 1.00 0.43 H new ATOM 0 HG2 GLU A 61 2.977 -9.854 -13.677 1.00 0.52 H new ATOM 0 HG3 GLU A 61 1.268 -9.762 -13.300 1.00 0.52 H new ATOM 908 N THR A 62 4.181 -9.308 -10.374 1.00 0.34 N ATOM 909 CA THR A 62 5.464 -9.894 -10.025 1.00 0.35 C ATOM 910 C THR A 62 5.367 -11.381 -9.714 1.00 0.39 C ATOM 911 O THR A 62 4.284 -11.921 -9.487 1.00 0.61 O ATOM 912 CB THR A 62 6.022 -9.158 -8.811 1.00 0.40 C ATOM 913 OG1 THR A 62 7.052 -9.902 -8.190 1.00 0.43 O ATOM 914 CG2 THR A 62 4.971 -8.864 -7.764 1.00 0.52 C ATOM 0 H THR A 62 3.431 -9.511 -9.713 1.00 0.34 H new ATOM 0 HA THR A 62 6.123 -9.791 -10.887 1.00 0.35 H new ATOM 0 HB THR A 62 6.407 -8.215 -9.200 1.00 0.40 H new ATOM 0 HG1 THR A 62 7.802 -10.004 -8.812 1.00 0.43 H new ATOM 0 HG21 THR A 62 5.429 -8.340 -6.926 1.00 0.52 H new ATOM 0 HG22 THR A 62 4.189 -8.241 -8.198 1.00 0.52 H new ATOM 0 HG23 THR A 62 4.536 -9.800 -7.413 1.00 0.52 H new ATOM 922 N SER A 63 6.527 -12.021 -9.676 1.00 0.37 N ATOM 923 CA SER A 63 6.626 -13.435 -9.363 1.00 0.48 C ATOM 924 C SER A 63 7.614 -13.621 -8.220 1.00 0.42 C ATOM 925 O SER A 63 7.841 -14.737 -7.751 1.00 0.45 O ATOM 926 CB SER A 63 7.087 -14.229 -10.586 1.00 0.69 C ATOM 927 OG SER A 63 7.104 -15.619 -10.314 1.00 1.22 O ATOM 0 H SER A 63 7.424 -11.573 -9.862 1.00 0.37 H new ATOM 0 HA SER A 63 5.644 -13.805 -9.069 1.00 0.48 H new ATOM 0 HB2 SER A 63 6.422 -14.028 -11.426 1.00 0.69 H new ATOM 0 HB3 SER A 63 8.083 -13.901 -10.882 1.00 0.69 H new ATOM 0 HG SER A 63 7.277 -15.764 -9.360 1.00 1.22 H new ATOM 933 N LEU A 64 8.197 -12.506 -7.781 1.00 0.37 N ATOM 934 CA LEU A 64 9.168 -12.523 -6.692 1.00 0.35 C ATOM 935 C LEU A 64 8.532 -13.098 -5.430 1.00 0.50 C ATOM 936 O LEU A 64 7.344 -12.892 -5.176 1.00 0.82 O ATOM 937 CB LEU A 64 9.699 -11.102 -6.441 1.00 0.49 C ATOM 938 CG LEU A 64 10.945 -10.985 -5.548 1.00 0.48 C ATOM 939 CD1 LEU A 64 10.602 -11.230 -4.089 1.00 0.90 C ATOM 940 CD2 LEU A 64 12.029 -11.952 -6.009 1.00 0.84 C ATOM 0 H LEU A 64 8.012 -11.579 -8.165 1.00 0.37 H new ATOM 0 HA LEU A 64 10.008 -13.160 -6.970 1.00 0.35 H new ATOM 0 HB2 LEU A 64 9.926 -10.647 -7.405 1.00 0.49 H new ATOM 0 HB3 LEU A 64 8.900 -10.513 -5.991 1.00 0.49 H new ATOM 0 HG LEU A 64 11.324 -9.967 -5.638 1.00 0.48 H new ATOM 0 HD11 LEU A 64 11.504 -11.140 -3.483 1.00 0.90 H new ATOM 0 HD12 LEU A 64 9.869 -10.494 -3.759 1.00 0.90 H new ATOM 0 HD13 LEU A 64 10.187 -12.232 -3.976 1.00 0.90 H new ATOM 0 HD21 LEU A 64 12.902 -11.854 -5.364 1.00 0.84 H new ATOM 0 HD22 LEU A 64 11.652 -12.973 -5.956 1.00 0.84 H new ATOM 0 HD23 LEU A 64 12.309 -11.721 -7.037 1.00 0.84 H new ATOM 952 N ALA A 65 9.330 -13.825 -4.652 1.00 0.58 N ATOM 953 CA ALA A 65 8.861 -14.441 -3.414 1.00 0.89 C ATOM 954 C ALA A 65 7.966 -13.489 -2.622 1.00 0.60 C ATOM 955 O ALA A 65 8.319 -12.333 -2.403 1.00 0.59 O ATOM 956 CB ALA A 65 10.045 -14.880 -2.566 1.00 1.41 C ATOM 0 H ALA A 65 10.313 -14.003 -4.860 1.00 0.58 H new ATOM 0 HA ALA A 65 8.267 -15.316 -3.678 1.00 0.89 H new ATOM 0 HB1 ALA A 65 9.683 -15.338 -1.645 1.00 1.41 H new ATOM 0 HB2 ALA A 65 10.642 -15.604 -3.121 1.00 1.41 H new ATOM 0 HB3 ALA A 65 10.660 -14.013 -2.323 1.00 1.41 H new ATOM 962 N PRO A 66 6.788 -13.966 -2.187 1.00 0.50 N ATOM 963 CA PRO A 66 5.842 -13.150 -1.420 1.00 0.40 C ATOM 964 C PRO A 66 6.436 -12.614 -0.129 1.00 0.41 C ATOM 965 O PRO A 66 5.890 -11.700 0.484 1.00 0.62 O ATOM 966 CB PRO A 66 4.710 -14.116 -1.083 1.00 0.47 C ATOM 967 CG PRO A 66 4.835 -15.244 -2.047 1.00 0.75 C ATOM 968 CD PRO A 66 6.288 -15.333 -2.412 1.00 0.64 C ATOM 0 HA PRO A 66 5.534 -12.275 -1.993 1.00 0.40 H new ATOM 0 HB2 PRO A 66 4.792 -14.470 -0.055 1.00 0.47 H new ATOM 0 HB3 PRO A 66 3.740 -13.628 -1.176 1.00 0.47 H new ATOM 0 HG2 PRO A 66 4.489 -16.176 -1.600 1.00 0.75 H new ATOM 0 HG3 PRO A 66 4.223 -15.068 -2.932 1.00 0.75 H new ATOM 0 HD2 PRO A 66 6.813 -16.059 -1.791 1.00 0.64 H new ATOM 0 HD3 PRO A 66 6.422 -15.643 -3.448 1.00 0.64 H new ATOM 976 N GLU A 67 7.543 -13.198 0.288 1.00 0.40 N ATOM 977 CA GLU A 67 8.198 -12.796 1.520 1.00 0.44 C ATOM 978 C GLU A 67 9.262 -11.738 1.274 1.00 0.37 C ATOM 979 O GLU A 67 9.449 -10.835 2.089 1.00 0.40 O ATOM 980 CB GLU A 67 8.809 -14.017 2.204 1.00 0.57 C ATOM 981 CG GLU A 67 9.345 -15.050 1.229 1.00 0.65 C ATOM 982 CD GLU A 67 10.074 -16.187 1.919 1.00 0.80 C ATOM 983 OE1 GLU A 67 9.437 -16.896 2.726 1.00 1.28 O ATOM 984 OE2 GLU A 67 11.278 -16.367 1.652 1.00 1.19 O ATOM 0 H GLU A 67 8.010 -13.956 -0.210 1.00 0.40 H new ATOM 0 HA GLU A 67 7.445 -12.354 2.173 1.00 0.44 H new ATOM 0 HB2 GLU A 67 9.618 -13.691 2.857 1.00 0.57 H new ATOM 0 HB3 GLU A 67 8.055 -14.484 2.838 1.00 0.57 H new ATOM 0 HG2 GLU A 67 8.518 -15.456 0.646 1.00 0.65 H new ATOM 0 HG3 GLU A 67 10.022 -14.563 0.527 1.00 0.65 H new ATOM 991 N GLU A 68 9.964 -11.855 0.156 1.00 0.34 N ATOM 992 CA GLU A 68 11.014 -10.899 -0.175 1.00 0.31 C ATOM 993 C GLU A 68 10.467 -9.690 -0.927 1.00 0.29 C ATOM 994 O GLU A 68 11.079 -8.624 -0.915 1.00 0.30 O ATOM 995 CB GLU A 68 12.126 -11.562 -0.983 1.00 0.37 C ATOM 996 CG GLU A 68 13.264 -10.613 -1.321 1.00 0.34 C ATOM 997 CD GLU A 68 14.419 -11.311 -2.012 1.00 0.53 C ATOM 998 OE1 GLU A 68 15.004 -12.232 -1.406 1.00 1.21 O ATOM 999 OE2 GLU A 68 14.739 -10.934 -3.159 1.00 1.02 O ATOM 0 H GLU A 68 9.829 -12.595 -0.533 1.00 0.34 H new ATOM 0 HA GLU A 68 11.429 -10.546 0.769 1.00 0.31 H new ATOM 0 HB2 GLU A 68 12.521 -12.408 -0.420 1.00 0.37 H new ATOM 0 HB3 GLU A 68 11.707 -11.961 -1.907 1.00 0.37 H new ATOM 0 HG2 GLU A 68 12.889 -9.816 -1.963 1.00 0.34 H new ATOM 0 HG3 GLU A 68 13.624 -10.142 -0.406 1.00 0.34 H new ATOM 1006 N LEU A 69 9.327 -9.855 -1.592 1.00 0.32 N ATOM 1007 CA LEU A 69 8.737 -8.759 -2.350 1.00 0.36 C ATOM 1008 C LEU A 69 8.452 -7.564 -1.453 1.00 0.35 C ATOM 1009 O LEU A 69 9.018 -6.494 -1.658 1.00 0.41 O ATOM 1010 CB LEU A 69 7.468 -9.203 -3.072 1.00 0.42 C ATOM 1011 CG LEU A 69 6.678 -8.074 -3.739 1.00 0.54 C ATOM 1012 CD1 LEU A 69 7.583 -7.219 -4.613 1.00 1.08 C ATOM 1013 CD2 LEU A 69 5.549 -8.645 -4.569 1.00 1.51 C ATOM 0 H LEU A 69 8.799 -10.727 -1.621 1.00 0.32 H new ATOM 0 HA LEU A 69 9.464 -8.454 -3.103 1.00 0.36 H new ATOM 0 HB2 LEU A 69 7.737 -9.937 -3.832 1.00 0.42 H new ATOM 0 HB3 LEU A 69 6.819 -9.708 -2.357 1.00 0.42 H new ATOM 0 HG LEU A 69 6.261 -7.443 -2.954 1.00 0.54 H new ATOM 0 HD11 LEU A 69 6.997 -6.424 -5.075 1.00 1.08 H new ATOM 0 HD12 LEU A 69 8.371 -6.780 -4.001 1.00 1.08 H new ATOM 0 HD13 LEU A 69 8.030 -7.839 -5.390 1.00 1.08 H new ATOM 0 HD21 LEU A 69 4.995 -7.832 -5.038 1.00 1.51 H new ATOM 0 HD22 LEU A 69 5.958 -9.297 -5.340 1.00 1.51 H new ATOM 0 HD23 LEU A 69 4.879 -9.218 -3.927 1.00 1.51 H new ATOM 1025 N LEU A 70 7.593 -7.743 -0.448 1.00 0.33 N ATOM 1026 CA LEU A 70 7.300 -6.653 0.471 1.00 0.39 C ATOM 1027 C LEU A 70 8.613 -6.094 0.989 1.00 0.42 C ATOM 1028 O LEU A 70 8.849 -4.890 0.960 1.00 0.61 O ATOM 1029 CB LEU A 70 6.423 -7.133 1.636 1.00 0.44 C ATOM 1030 CG LEU A 70 6.285 -6.154 2.810 1.00 0.58 C ATOM 1031 CD1 LEU A 70 4.984 -6.397 3.560 1.00 1.16 C ATOM 1032 CD2 LEU A 70 7.462 -6.294 3.765 1.00 1.01 C ATOM 0 H LEU A 70 7.099 -8.615 -0.255 1.00 0.33 H new ATOM 0 HA LEU A 70 6.745 -5.876 -0.054 1.00 0.39 H new ATOM 0 HB2 LEU A 70 5.427 -7.353 1.251 1.00 0.44 H new ATOM 0 HB3 LEU A 70 6.833 -8.070 2.014 1.00 0.44 H new ATOM 0 HG LEU A 70 6.276 -5.142 2.405 1.00 0.58 H new ATOM 0 HD11 LEU A 70 4.905 -5.693 4.389 1.00 1.16 H new ATOM 0 HD12 LEU A 70 4.142 -6.256 2.883 1.00 1.16 H new ATOM 0 HD13 LEU A 70 4.972 -7.416 3.947 1.00 1.16 H new ATOM 0 HD21 LEU A 70 7.346 -5.592 4.591 1.00 1.01 H new ATOM 0 HD22 LEU A 70 7.495 -7.311 4.156 1.00 1.01 H new ATOM 0 HD23 LEU A 70 8.389 -6.079 3.234 1.00 1.01 H new ATOM 1044 N ASN A 71 9.473 -6.999 1.440 1.00 0.31 N ATOM 1045 CA ASN A 71 10.785 -6.617 1.945 1.00 0.35 C ATOM 1046 C ASN A 71 11.531 -5.777 0.908 1.00 0.38 C ATOM 1047 O ASN A 71 12.307 -4.889 1.260 1.00 0.45 O ATOM 1048 CB ASN A 71 11.604 -7.854 2.314 1.00 0.36 C ATOM 1049 CG ASN A 71 12.976 -7.495 2.850 1.00 1.06 C ATOM 1050 OD1 ASN A 71 13.821 -6.962 2.130 1.00 1.87 O ATOM 1051 ND2 ASN A 71 13.202 -7.778 4.126 1.00 1.53 N ATOM 0 H ASN A 71 9.285 -8.001 1.466 1.00 0.31 H new ATOM 0 HA ASN A 71 10.644 -6.018 2.845 1.00 0.35 H new ATOM 0 HB2 ASN A 71 11.064 -8.435 3.062 1.00 0.36 H new ATOM 0 HB3 ASN A 71 11.714 -8.490 1.435 1.00 0.36 H new ATOM 0 HD21 ASN A 71 14.104 -7.554 4.546 1.00 1.53 H new ATOM 0 HD22 ASN A 71 12.474 -8.220 4.687 1.00 1.53 H new ATOM 1058 N HIS A 72 11.274 -6.048 -0.373 1.00 0.35 N ATOM 1059 CA HIS A 72 11.905 -5.295 -1.448 1.00 0.42 C ATOM 1060 C HIS A 72 11.279 -3.915 -1.544 1.00 0.41 C ATOM 1061 O HIS A 72 11.978 -2.914 -1.705 1.00 0.43 O ATOM 1062 CB HIS A 72 11.778 -6.030 -2.787 1.00 0.51 C ATOM 1063 CG HIS A 72 13.008 -6.796 -3.159 1.00 1.07 C ATOM 1064 ND1 HIS A 72 14.267 -6.234 -3.182 1.00 2.09 N ATOM 1065 CD2 HIS A 72 13.169 -8.088 -3.532 1.00 1.39 C ATOM 1066 CE1 HIS A 72 15.148 -7.144 -3.551 1.00 2.99 C ATOM 1067 NE2 HIS A 72 14.508 -8.278 -3.769 1.00 2.56 N ATOM 0 H HIS A 72 10.636 -6.780 -0.686 1.00 0.35 H new ATOM 0 HA HIS A 72 12.966 -5.195 -1.221 1.00 0.42 H new ATOM 0 HB2 HIS A 72 10.932 -6.715 -2.739 1.00 0.51 H new ATOM 0 HB3 HIS A 72 11.558 -5.306 -3.572 1.00 0.51 H new ATOM 0 HD2 HIS A 72 12.390 -8.830 -3.626 1.00 1.39 H new ATOM 0 HE1 HIS A 72 16.211 -6.988 -3.657 1.00 2.99 H new ATOM 0 HE2 HIS A 72 14.939 -9.154 -4.066 1.00 2.56 H new ATOM 1076 N THR A 73 9.958 -3.868 -1.418 1.00 0.45 N ATOM 1077 CA THR A 73 9.242 -2.605 -1.463 1.00 0.49 C ATOM 1078 C THR A 73 9.651 -1.750 -0.271 1.00 0.46 C ATOM 1079 O THR A 73 9.497 -0.529 -0.282 1.00 0.47 O ATOM 1080 CB THR A 73 7.731 -2.839 -1.465 1.00 0.58 C ATOM 1081 OG1 THR A 73 7.297 -3.380 -0.231 1.00 0.62 O ATOM 1082 CG2 THR A 73 7.280 -3.780 -2.561 1.00 0.66 C ATOM 0 H THR A 73 9.366 -4.688 -1.285 1.00 0.45 H new ATOM 0 HA THR A 73 9.499 -2.082 -2.384 1.00 0.49 H new ATOM 0 HB THR A 73 7.289 -1.858 -1.637 1.00 0.58 H new ATOM 0 HG1 THR A 73 8.044 -3.840 0.206 1.00 0.62 H new ATOM 0 HG21 THR A 73 6.198 -3.906 -2.510 1.00 0.66 H new ATOM 0 HG22 THR A 73 7.552 -3.365 -3.532 1.00 0.66 H new ATOM 0 HG23 THR A 73 7.764 -4.748 -2.432 1.00 0.66 H new ATOM 1090 N GLN A 74 10.200 -2.411 0.748 1.00 0.49 N ATOM 1091 CA GLN A 74 10.669 -1.723 1.943 1.00 0.49 C ATOM 1092 C GLN A 74 11.911 -0.909 1.608 1.00 0.43 C ATOM 1093 O GLN A 74 12.141 0.162 2.169 1.00 0.45 O ATOM 1094 CB GLN A 74 10.995 -2.725 3.058 1.00 0.60 C ATOM 1095 CG GLN A 74 9.820 -3.595 3.483 1.00 0.65 C ATOM 1096 CD GLN A 74 8.654 -2.810 4.070 1.00 0.87 C ATOM 1097 OE1 GLN A 74 7.597 -3.374 4.350 1.00 1.66 O ATOM 1098 NE2 GLN A 74 8.838 -1.511 4.275 1.00 1.05 N ATOM 0 H GLN A 74 10.329 -3.423 0.766 1.00 0.49 H new ATOM 0 HA GLN A 74 9.878 -1.061 2.295 1.00 0.49 H new ATOM 0 HB2 GLN A 74 11.808 -3.370 2.724 1.00 0.60 H new ATOM 0 HB3 GLN A 74 11.359 -2.177 3.927 1.00 0.60 H new ATOM 0 HG2 GLN A 74 9.468 -4.160 2.620 1.00 0.65 H new ATOM 0 HG3 GLN A 74 10.165 -4.320 4.220 1.00 0.65 H new ATOM 0 HE21 GLN A 74 9.728 -1.077 4.031 1.00 1.05 H new ATOM 0 HE22 GLN A 74 8.089 -0.947 4.677 1.00 1.05 H new ATOM 1107 N ARG A 75 12.707 -1.433 0.677 1.00 0.44 N ATOM 1108 CA ARG A 75 13.928 -0.766 0.248 1.00 0.46 C ATOM 1109 C ARG A 75 13.602 0.465 -0.580 1.00 0.43 C ATOM 1110 O ARG A 75 14.441 1.342 -0.760 1.00 0.52 O ATOM 1111 CB ARG A 75 14.799 -1.724 -0.569 1.00 0.59 C ATOM 1112 CG ARG A 75 16.133 -1.129 -1.001 1.00 1.17 C ATOM 1113 CD ARG A 75 16.990 -0.747 0.196 1.00 1.93 C ATOM 1114 NE ARG A 75 18.289 -0.209 -0.206 1.00 2.51 N ATOM 1115 CZ ARG A 75 19.212 -0.911 -0.855 1.00 2.97 C ATOM 1116 NH1 ARG A 75 18.994 -2.185 -1.157 1.00 3.08 N ATOM 1117 NH2 ARG A 75 20.360 -0.343 -1.195 1.00 3.82 N ATOM 0 H ARG A 75 12.525 -2.319 0.207 1.00 0.44 H new ATOM 0 HA ARG A 75 14.477 -0.456 1.137 1.00 0.46 H new ATOM 0 HB2 ARG A 75 14.986 -2.621 0.021 1.00 0.59 H new ATOM 0 HB3 ARG A 75 14.247 -2.035 -1.456 1.00 0.59 H new ATOM 0 HG2 ARG A 75 16.670 -1.849 -1.619 1.00 1.17 H new ATOM 0 HG3 ARG A 75 15.956 -0.248 -1.618 1.00 1.17 H new ATOM 0 HD2 ARG A 75 16.462 -0.007 0.798 1.00 1.93 H new ATOM 0 HD3 ARG A 75 17.141 -1.623 0.828 1.00 1.93 H new ATOM 0 HE ARG A 75 18.499 0.762 0.025 1.00 2.51 H new ATOM 0 HH11 ARG A 75 18.115 -2.629 -0.891 1.00 3.08 H new ATOM 0 HH12 ARG A 75 19.705 -2.720 -1.655 1.00 3.08 H new ATOM 0 HH21 ARG A 75 20.536 0.634 -0.959 1.00 3.82 H new ATOM 0 HH22 ARG A 75 21.068 -0.882 -1.693 1.00 3.82 H new ATOM 1131 N ILE A 76 12.368 0.535 -1.068 1.00 0.43 N ATOM 1132 CA ILE A 76 11.935 1.673 -1.858 1.00 0.48 C ATOM 1133 C ILE A 76 11.829 2.888 -0.955 1.00 0.49 C ATOM 1134 O ILE A 76 11.978 4.030 -1.392 1.00 0.60 O ATOM 1135 CB ILE A 76 10.580 1.410 -2.545 1.00 0.53 C ATOM 1136 CG1 ILE A 76 10.677 0.169 -3.435 1.00 0.62 C ATOM 1137 CG2 ILE A 76 10.154 2.625 -3.360 1.00 0.64 C ATOM 1138 CD1 ILE A 76 9.376 -0.201 -4.115 1.00 1.42 C ATOM 0 H ILE A 76 11.655 -0.182 -0.929 1.00 0.43 H new ATOM 0 HA ILE A 76 12.671 1.847 -2.643 1.00 0.48 H new ATOM 0 HB ILE A 76 9.824 1.231 -1.780 1.00 0.53 H new ATOM 0 HG12 ILE A 76 11.438 0.339 -4.196 1.00 0.62 H new ATOM 0 HG13 ILE A 76 11.013 -0.674 -2.831 1.00 0.62 H new ATOM 0 HG21 ILE A 76 9.196 2.424 -3.839 1.00 0.64 H new ATOM 0 HG22 ILE A 76 10.057 3.489 -2.702 1.00 0.64 H new ATOM 0 HG23 ILE A 76 10.904 2.833 -4.123 1.00 0.64 H new ATOM 0 HD11 ILE A 76 9.526 -1.090 -4.728 1.00 1.42 H new ATOM 0 HD12 ILE A 76 8.616 -0.404 -3.360 1.00 1.42 H new ATOM 0 HD13 ILE A 76 9.048 0.624 -4.747 1.00 1.42 H new ATOM 1150 N GLU A 77 11.603 2.612 0.322 1.00 0.45 N ATOM 1151 CA GLU A 77 11.507 3.651 1.329 1.00 0.52 C ATOM 1152 C GLU A 77 12.865 4.316 1.510 1.00 0.52 C ATOM 1153 O GLU A 77 12.974 5.542 1.535 1.00 0.71 O ATOM 1154 CB GLU A 77 11.037 3.049 2.653 1.00 0.59 C ATOM 1155 CG GLU A 77 9.629 2.483 2.607 1.00 0.95 C ATOM 1156 CD GLU A 77 9.200 1.893 3.935 1.00 1.15 C ATOM 1157 OE1 GLU A 77 9.878 0.963 4.419 1.00 1.59 O ATOM 1158 OE2 GLU A 77 8.184 2.362 4.491 1.00 1.52 O ATOM 0 H GLU A 77 11.482 1.666 0.684 1.00 0.45 H new ATOM 0 HA GLU A 77 10.784 4.400 1.006 1.00 0.52 H new ATOM 0 HB2 GLU A 77 11.727 2.257 2.946 1.00 0.59 H new ATOM 0 HB3 GLU A 77 11.085 3.816 3.426 1.00 0.59 H new ATOM 0 HG2 GLU A 77 8.933 3.271 2.321 1.00 0.95 H new ATOM 0 HG3 GLU A 77 9.574 1.714 1.836 1.00 0.95 H new ATOM 1165 N LEU A 78 13.902 3.491 1.622 1.00 0.47 N ATOM 1166 CA LEU A 78 15.262 3.983 1.786 1.00 0.56 C ATOM 1167 C LEU A 78 15.754 4.631 0.496 1.00 0.57 C ATOM 1168 O LEU A 78 16.365 5.698 0.522 1.00 0.66 O ATOM 1169 CB LEU A 78 16.201 2.842 2.189 1.00 0.63 C ATOM 1170 CG LEU A 78 15.867 2.151 3.514 1.00 0.71 C ATOM 1171 CD1 LEU A 78 16.838 1.010 3.777 1.00 0.83 C ATOM 1172 CD2 LEU A 78 15.900 3.150 4.663 1.00 0.84 C ATOM 0 H LEU A 78 13.823 2.474 1.602 1.00 0.47 H new ATOM 0 HA LEU A 78 15.261 4.732 2.578 1.00 0.56 H new ATOM 0 HB2 LEU A 78 16.195 2.093 1.397 1.00 0.63 H new ATOM 0 HB3 LEU A 78 17.216 3.234 2.250 1.00 0.63 H new ATOM 0 HG LEU A 78 14.859 1.741 3.443 1.00 0.71 H new ATOM 0 HD11 LEU A 78 16.587 0.529 4.722 1.00 0.83 H new ATOM 0 HD12 LEU A 78 16.770 0.281 2.970 1.00 0.83 H new ATOM 0 HD13 LEU A 78 17.854 1.401 3.827 1.00 0.83 H new ATOM 0 HD21 LEU A 78 15.660 2.640 5.596 1.00 0.84 H new ATOM 0 HD22 LEU A 78 16.895 3.589 4.735 1.00 0.84 H new ATOM 0 HD23 LEU A 78 15.168 3.937 4.482 1.00 0.84 H new ATOM 1184 N GLN A 79 15.482 3.975 -0.630 1.00 0.56 N ATOM 1185 CA GLN A 79 15.897 4.487 -1.934 1.00 0.63 C ATOM 1186 C GLN A 79 15.222 5.820 -2.259 1.00 0.66 C ATOM 1187 O GLN A 79 15.592 6.487 -3.227 1.00 0.84 O ATOM 1188 CB GLN A 79 15.584 3.472 -3.035 1.00 0.67 C ATOM 1189 CG GLN A 79 16.356 2.169 -2.902 1.00 0.93 C ATOM 1190 CD GLN A 79 16.061 1.181 -4.020 1.00 1.22 C ATOM 1191 OE1 GLN A 79 15.177 1.557 -4.940 1.00 1.95 O flip ATOM 1192 NE2 GLN A 79 16.625 0.087 -4.055 1.00 1.30 N flip ATOM 0 H GLN A 79 14.977 3.089 -0.666 1.00 0.56 H new ATOM 0 HA GLN A 79 16.974 4.652 -1.888 1.00 0.63 H new ATOM 0 HB2 GLN A 79 14.516 3.254 -3.023 1.00 0.67 H new ATOM 0 HB3 GLN A 79 15.807 3.919 -4.004 1.00 0.67 H new ATOM 0 HG2 GLN A 79 17.424 2.387 -2.891 1.00 0.93 H new ATOM 0 HG3 GLN A 79 16.114 1.707 -1.945 1.00 0.93 H new ATOM 0 HE21 GLN A 79 17.297 -0.164 -3.330 1.00 1.30 H new ATOM 0 HE22 GLN A 79 16.420 -0.569 -4.809 1.00 1.30 H new ATOM 1201 N GLN A 80 14.233 6.206 -1.457 1.00 0.54 N ATOM 1202 CA GLN A 80 13.519 7.455 -1.674 1.00 0.59 C ATOM 1203 C GLN A 80 14.070 8.552 -0.767 1.00 0.68 C ATOM 1204 O GLN A 80 13.551 9.668 -0.729 1.00 0.78 O ATOM 1205 CB GLN A 80 12.023 7.244 -1.411 1.00 0.54 C ATOM 1206 CG GLN A 80 11.164 8.472 -1.668 1.00 0.99 C ATOM 1207 CD GLN A 80 11.274 8.981 -3.092 1.00 0.98 C ATOM 1208 OE1 GLN A 80 10.166 8.935 -3.814 1.00 1.68 O flip ATOM 1209 NE2 GLN A 80 12.342 9.404 -3.537 1.00 0.74 N flip ATOM 0 H GLN A 80 13.910 5.670 -0.652 1.00 0.54 H new ATOM 0 HA GLN A 80 13.659 7.769 -2.708 1.00 0.59 H new ATOM 0 HB2 GLN A 80 11.667 6.428 -2.040 1.00 0.54 H new ATOM 0 HB3 GLN A 80 11.889 6.931 -0.376 1.00 0.54 H new ATOM 0 HG2 GLN A 80 10.123 8.232 -1.452 1.00 0.99 H new ATOM 0 HG3 GLN A 80 11.458 9.265 -0.980 1.00 0.99 H new ATOM 0 HE21 GLN A 80 13.171 9.421 -2.943 1.00 0.74 H new ATOM 0 HE22 GLN A 80 12.397 9.738 -4.499 1.00 0.74 H new ATOM 1218 N GLY A 81 15.127 8.222 -0.033 1.00 0.74 N ATOM 1219 CA GLY A 81 15.725 9.183 0.870 1.00 0.88 C ATOM 1220 C GLY A 81 14.797 9.506 2.020 1.00 0.89 C ATOM 1221 O GLY A 81 14.780 10.632 2.518 1.00 0.99 O ATOM 0 H GLY A 81 15.578 7.307 -0.048 1.00 0.74 H new ATOM 0 HA2 GLY A 81 16.664 8.787 1.257 1.00 0.88 H new ATOM 0 HA3 GLY A 81 15.965 10.096 0.326 1.00 0.88 H new ATOM 1225 N ARG A 82 14.015 8.510 2.429 1.00 0.95 N ATOM 1226 CA ARG A 82 13.065 8.685 3.518 1.00 1.07 C ATOM 1227 C ARG A 82 13.764 9.176 4.774 1.00 1.09 C ATOM 1228 O ARG A 82 14.985 9.093 4.899 1.00 1.50 O ATOM 1229 CB ARG A 82 12.343 7.371 3.830 1.00 1.34 C ATOM 1230 CG ARG A 82 13.211 6.359 4.566 1.00 1.78 C ATOM 1231 CD ARG A 82 12.413 5.133 4.977 1.00 2.05 C ATOM 1232 NE ARG A 82 13.212 4.198 5.766 1.00 2.68 N ATOM 1233 CZ ARG A 82 12.751 3.039 6.228 1.00 3.14 C ATOM 1234 NH1 ARG A 82 11.505 2.667 5.973 1.00 3.20 N ATOM 1235 NH2 ARG A 82 13.539 2.250 6.946 1.00 3.90 N ATOM 0 H ARG A 82 14.022 7.575 2.021 1.00 0.95 H new ATOM 0 HA ARG A 82 12.336 9.429 3.197 1.00 1.07 H new ATOM 0 HB2 ARG A 82 11.460 7.585 4.432 1.00 1.34 H new ATOM 0 HB3 ARG A 82 11.994 6.928 2.898 1.00 1.34 H new ATOM 0 HG2 ARG A 82 14.040 6.057 3.927 1.00 1.78 H new ATOM 0 HG3 ARG A 82 13.644 6.825 5.451 1.00 1.78 H new ATOM 0 HD2 ARG A 82 11.543 5.444 5.555 1.00 2.05 H new ATOM 0 HD3 ARG A 82 12.039 4.628 4.086 1.00 2.05 H new ATOM 0 HE ARG A 82 14.179 4.448 5.974 1.00 2.68 H new ATOM 0 HH11 ARG A 82 10.896 3.270 5.421 1.00 3.20 H new ATOM 0 HH12 ARG A 82 11.155 1.777 6.329 1.00 3.20 H new ATOM 0 HH21 ARG A 82 14.499 2.532 7.144 1.00 3.90 H new ATOM 0 HH22 ARG A 82 13.185 1.361 7.300 1.00 3.90 H new ATOM 1249 N VAL A 83 12.968 9.671 5.702 1.00 1.01 N ATOM 1250 CA VAL A 83 13.474 10.164 6.968 1.00 1.24 C ATOM 1251 C VAL A 83 12.628 9.588 8.092 1.00 1.17 C ATOM 1252 O VAL A 83 11.427 9.401 7.922 1.00 1.65 O ATOM 1253 CB VAL A 83 13.445 11.702 7.006 1.00 1.94 C ATOM 1254 CG1 VAL A 83 14.175 12.224 8.233 1.00 2.77 C ATOM 1255 CG2 VAL A 83 14.048 12.264 5.725 1.00 2.45 C ATOM 0 H VAL A 83 11.956 9.743 5.600 1.00 1.01 H new ATOM 0 HA VAL A 83 14.510 9.849 7.090 1.00 1.24 H new ATOM 0 HB VAL A 83 12.409 12.034 7.074 1.00 1.94 H new ATOM 0 HG11 VAL A 83 14.142 13.313 8.240 1.00 2.77 H new ATOM 0 HG12 VAL A 83 13.694 11.841 9.133 1.00 2.77 H new ATOM 0 HG13 VAL A 83 15.213 11.892 8.207 1.00 2.77 H new ATOM 0 HG21 VAL A 83 14.024 13.353 5.759 1.00 2.45 H new ATOM 0 HG22 VAL A 83 15.080 11.926 5.630 1.00 2.45 H new ATOM 0 HG23 VAL A 83 13.472 11.915 4.868 1.00 2.45 H new ATOM 1384 N GLY A 90 2.854 5.766 12.141 1.00 1.35 N ATOM 1385 CA GLY A 90 2.642 6.773 11.115 1.00 1.15 C ATOM 1386 C GLY A 90 3.381 6.511 9.813 1.00 1.08 C ATOM 1387 O GLY A 90 4.425 5.865 9.799 1.00 1.29 O ATOM 0 HA2 GLY A 90 1.575 6.841 10.905 1.00 1.15 H new ATOM 0 HA3 GLY A 90 2.952 7.742 11.505 1.00 1.15 H new ATOM 1391 N PRO A 91 2.839 7.025 8.691 1.00 0.96 N ATOM 1392 CA PRO A 91 3.430 6.871 7.349 1.00 1.07 C ATOM 1393 C PRO A 91 4.783 7.563 7.227 1.00 1.17 C ATOM 1394 O PRO A 91 5.681 7.081 6.534 1.00 1.60 O ATOM 1395 CB PRO A 91 2.416 7.575 6.436 1.00 1.09 C ATOM 1396 CG PRO A 91 1.158 7.601 7.221 1.00 1.09 C ATOM 1397 CD PRO A 91 1.595 7.804 8.638 1.00 0.91 C ATOM 0 HA PRO A 91 3.609 5.824 7.106 1.00 1.07 H new ATOM 0 HB2 PRO A 91 2.745 8.583 6.181 1.00 1.09 H new ATOM 0 HB3 PRO A 91 2.286 7.035 5.498 1.00 1.09 H new ATOM 0 HG2 PRO A 91 0.502 8.406 6.890 1.00 1.09 H new ATOM 0 HG3 PRO A 91 0.602 6.670 7.108 1.00 1.09 H new ATOM 0 HD2 PRO A 91 1.763 8.857 8.866 1.00 0.91 H new ATOM 0 HD3 PRO A 91 0.854 7.438 9.349 1.00 0.91 H new ATOM 1405 N ARG A 92 4.900 8.706 7.893 1.00 0.93 N ATOM 1406 CA ARG A 92 6.115 9.514 7.875 1.00 1.03 C ATOM 1407 C ARG A 92 6.276 10.202 6.520 1.00 1.13 C ATOM 1408 O ARG A 92 5.638 11.218 6.245 1.00 1.95 O ATOM 1409 CB ARG A 92 7.349 8.662 8.210 1.00 1.21 C ATOM 1410 CG ARG A 92 8.480 9.445 8.869 1.00 1.04 C ATOM 1411 CD ARG A 92 8.888 10.656 8.048 1.00 1.71 C ATOM 1412 NE ARG A 92 9.779 11.550 8.782 1.00 2.57 N ATOM 1413 CZ ARG A 92 9.426 12.210 9.882 1.00 3.53 C ATOM 1414 NH1 ARG A 92 8.198 12.087 10.370 1.00 3.96 N ATOM 1415 NH2 ARG A 92 10.300 12.997 10.494 1.00 4.39 N ATOM 0 H ARG A 92 4.152 9.101 8.463 1.00 0.93 H new ATOM 0 HA ARG A 92 6.026 10.283 8.642 1.00 1.03 H new ATOM 0 HB2 ARG A 92 7.049 7.850 8.872 1.00 1.21 H new ATOM 0 HB3 ARG A 92 7.722 8.205 7.294 1.00 1.21 H new ATOM 0 HG2 ARG A 92 8.166 9.769 9.861 1.00 1.04 H new ATOM 0 HG3 ARG A 92 9.342 8.792 9.005 1.00 1.04 H new ATOM 0 HD2 ARG A 92 9.382 10.323 7.135 1.00 1.71 H new ATOM 0 HD3 ARG A 92 7.996 11.204 7.746 1.00 1.71 H new ATOM 0 HE ARG A 92 10.728 11.676 8.431 1.00 2.57 H new ATOM 0 HH11 ARG A 92 7.521 11.485 9.902 1.00 3.96 H new ATOM 0 HH12 ARG A 92 7.931 12.595 11.214 1.00 3.96 H new ATOM 0 HH21 ARG A 92 11.244 13.097 10.122 1.00 4.39 H new ATOM 0 HH22 ARG A 92 10.028 13.502 11.337 1.00 4.39 H new ATOM 1429 N THR A 93 7.134 9.641 5.687 1.00 0.94 N ATOM 1430 CA THR A 93 7.397 10.192 4.353 1.00 0.91 C ATOM 1431 C THR A 93 7.038 9.195 3.255 1.00 0.83 C ATOM 1432 O THR A 93 6.725 9.586 2.131 1.00 1.08 O ATOM 1433 CB THR A 93 8.869 10.583 4.214 1.00 1.02 C ATOM 1434 OG1 THR A 93 9.713 9.506 4.577 1.00 1.52 O ATOM 1435 CG2 THR A 93 9.258 11.781 5.051 1.00 1.47 C ATOM 0 H THR A 93 7.667 8.799 5.905 1.00 0.94 H new ATOM 0 HA THR A 93 6.770 11.077 4.240 1.00 0.91 H new ATOM 0 HB THR A 93 8.996 10.845 3.164 1.00 1.02 H new ATOM 0 HG1 THR A 93 9.903 8.959 3.787 1.00 1.52 H new ATOM 0 HG21 THR A 93 10.315 12.001 4.902 1.00 1.47 H new ATOM 0 HG22 THR A 93 8.662 12.643 4.751 1.00 1.47 H new ATOM 0 HG23 THR A 93 9.077 11.564 6.104 1.00 1.47 H new ATOM 1443 N LEU A 94 7.104 7.910 3.583 1.00 0.68 N ATOM 1444 CA LEU A 94 6.801 6.855 2.621 1.00 0.64 C ATOM 1445 C LEU A 94 6.731 5.498 3.306 1.00 0.56 C ATOM 1446 O LEU A 94 7.708 5.036 3.896 1.00 0.71 O ATOM 1447 CB LEU A 94 7.868 6.828 1.520 1.00 0.72 C ATOM 1448 CG LEU A 94 7.740 5.683 0.511 1.00 1.00 C ATOM 1449 CD1 LEU A 94 6.411 5.758 -0.221 1.00 1.44 C ATOM 1450 CD2 LEU A 94 8.896 5.718 -0.478 1.00 1.87 C ATOM 0 H LEU A 94 7.365 7.572 4.509 1.00 0.68 H new ATOM 0 HA LEU A 94 5.828 7.067 2.177 1.00 0.64 H new ATOM 0 HB2 LEU A 94 7.831 7.773 0.978 1.00 0.72 H new ATOM 0 HB3 LEU A 94 8.850 6.768 1.990 1.00 0.72 H new ATOM 0 HG LEU A 94 7.776 4.739 1.055 1.00 1.00 H new ATOM 0 HD11 LEU A 94 6.341 4.936 -0.933 1.00 1.44 H new ATOM 0 HD12 LEU A 94 5.595 5.686 0.498 1.00 1.44 H new ATOM 0 HD13 LEU A 94 6.342 6.706 -0.754 1.00 1.44 H new ATOM 0 HD21 LEU A 94 8.792 4.898 -1.189 1.00 1.87 H new ATOM 0 HD22 LEU A 94 8.887 6.667 -1.014 1.00 1.87 H new ATOM 0 HD23 LEU A 94 9.838 5.614 0.060 1.00 1.87 H new ATOM 1462 N ASP A 95 5.572 4.860 3.216 1.00 0.52 N ATOM 1463 CA ASP A 95 5.372 3.552 3.820 1.00 0.53 C ATOM 1464 C ASP A 95 4.571 2.655 2.887 1.00 0.46 C ATOM 1465 O ASP A 95 3.342 2.599 2.964 1.00 0.59 O ATOM 1466 CB ASP A 95 4.655 3.689 5.165 1.00 0.73 C ATOM 1467 CG ASP A 95 4.510 2.363 5.888 1.00 1.16 C ATOM 1468 OD1 ASP A 95 3.844 1.457 5.343 1.00 1.64 O ATOM 1469 OD2 ASP A 95 5.062 2.230 7.001 1.00 1.72 O ATOM 0 H ASP A 95 4.755 5.229 2.729 1.00 0.52 H new ATOM 0 HA ASP A 95 6.348 3.097 3.990 1.00 0.53 H new ATOM 0 HB2 ASP A 95 5.207 4.385 5.797 1.00 0.73 H new ATOM 0 HB3 ASP A 95 3.667 4.120 5.003 1.00 0.73 H new ATOM 1474 N LEU A 96 5.273 1.950 2.008 1.00 0.38 N ATOM 1475 CA LEU A 96 4.622 1.051 1.064 1.00 0.36 C ATOM 1476 C LEU A 96 4.848 -0.400 1.474 1.00 0.40 C ATOM 1477 O LEU A 96 5.921 -0.964 1.262 1.00 0.53 O ATOM 1478 CB LEU A 96 5.124 1.298 -0.370 1.00 0.43 C ATOM 1479 CG LEU A 96 6.620 1.067 -0.616 1.00 0.52 C ATOM 1480 CD1 LEU A 96 6.903 1.022 -2.108 1.00 0.97 C ATOM 1481 CD2 LEU A 96 7.450 2.157 0.042 1.00 0.89 C ATOM 0 H LEU A 96 6.289 1.983 1.929 1.00 0.38 H new ATOM 0 HA LEU A 96 3.551 1.254 1.081 1.00 0.36 H new ATOM 0 HB2 LEU A 96 4.563 0.652 -1.045 1.00 0.43 H new ATOM 0 HB3 LEU A 96 4.887 2.326 -0.643 1.00 0.43 H new ATOM 0 HG LEU A 96 6.897 0.111 -0.173 1.00 0.52 H new ATOM 0 HD11 LEU A 96 7.968 0.858 -2.272 1.00 0.97 H new ATOM 0 HD12 LEU A 96 6.336 0.209 -2.561 1.00 0.97 H new ATOM 0 HD13 LEU A 96 6.608 1.967 -2.563 1.00 0.97 H new ATOM 0 HD21 LEU A 96 8.508 1.972 -0.146 1.00 0.89 H new ATOM 0 HD22 LEU A 96 7.172 3.126 -0.372 1.00 0.89 H new ATOM 0 HD23 LEU A 96 7.267 2.155 1.116 1.00 0.89 H new ATOM 1493 N ASP A 97 3.823 -0.996 2.071 1.00 0.38 N ATOM 1494 CA ASP A 97 3.898 -2.378 2.522 1.00 0.44 C ATOM 1495 C ASP A 97 2.805 -3.217 1.884 1.00 0.39 C ATOM 1496 O ASP A 97 1.741 -2.706 1.537 1.00 0.40 O ATOM 1497 CB ASP A 97 3.774 -2.449 4.046 1.00 0.55 C ATOM 1498 CG ASP A 97 4.918 -1.757 4.762 1.00 1.14 C ATOM 1499 OD1 ASP A 97 5.823 -1.240 4.072 1.00 1.45 O ATOM 1500 OD2 ASP A 97 4.910 -1.727 6.011 1.00 1.93 O ATOM 0 H ASP A 97 2.928 -0.542 2.254 1.00 0.38 H new ATOM 0 HA ASP A 97 4.867 -2.776 2.220 1.00 0.44 H new ATOM 0 HB2 ASP A 97 2.832 -1.993 4.351 1.00 0.55 H new ATOM 0 HB3 ASP A 97 3.737 -3.494 4.355 1.00 0.55 H new ATOM 1505 N ILE A 98 3.066 -4.511 1.741 1.00 0.39 N ATOM 1506 CA ILE A 98 2.094 -5.416 1.156 1.00 0.36 C ATOM 1507 C ILE A 98 0.820 -5.455 1.988 1.00 0.35 C ATOM 1508 O ILE A 98 0.841 -5.804 3.167 1.00 0.53 O ATOM 1509 CB ILE A 98 2.661 -6.846 0.993 1.00 0.36 C ATOM 1510 CG1 ILE A 98 3.556 -6.927 -0.241 1.00 0.48 C ATOM 1511 CG2 ILE A 98 1.540 -7.875 0.905 1.00 0.44 C ATOM 1512 CD1 ILE A 98 2.918 -6.373 -1.499 1.00 1.20 C ATOM 0 H ILE A 98 3.941 -4.953 2.022 1.00 0.39 H new ATOM 0 HA ILE A 98 1.860 -5.032 0.163 1.00 0.36 H new ATOM 0 HB ILE A 98 3.259 -7.074 1.875 1.00 0.36 H new ATOM 0 HG12 ILE A 98 4.480 -6.383 -0.044 1.00 0.48 H new ATOM 0 HG13 ILE A 98 3.829 -7.968 -0.412 1.00 0.48 H new ATOM 0 HG21 ILE A 98 1.968 -8.871 0.791 1.00 0.44 H new ATOM 0 HG22 ILE A 98 0.941 -7.840 1.815 1.00 0.44 H new ATOM 0 HG23 ILE A 98 0.908 -7.651 0.046 1.00 0.44 H new ATOM 0 HD11 ILE A 98 3.615 -6.466 -2.332 1.00 1.20 H new ATOM 0 HD12 ILE A 98 2.009 -6.932 -1.722 1.00 1.20 H new ATOM 0 HD13 ILE A 98 2.670 -5.322 -1.349 1.00 1.20 H new ATOM 1524 N MET A 99 -0.286 -5.090 1.354 1.00 0.32 N ATOM 1525 CA MET A 99 -1.581 -5.075 2.018 1.00 0.36 C ATOM 1526 C MET A 99 -2.471 -6.182 1.472 1.00 0.33 C ATOM 1527 O MET A 99 -3.417 -6.612 2.127 1.00 0.37 O ATOM 1528 CB MET A 99 -2.260 -3.716 1.831 1.00 0.43 C ATOM 1529 CG MET A 99 -1.417 -2.546 2.314 1.00 0.68 C ATOM 1530 SD MET A 99 -0.999 -2.663 4.064 1.00 1.56 S ATOM 1531 CE MET A 99 -2.627 -2.601 4.807 1.00 2.37 C ATOM 0 H MET A 99 -0.311 -4.799 0.377 1.00 0.32 H new ATOM 0 HA MET A 99 -1.423 -5.246 3.083 1.00 0.36 H new ATOM 0 HB2 MET A 99 -2.491 -3.576 0.775 1.00 0.43 H new ATOM 0 HB3 MET A 99 -3.209 -3.716 2.367 1.00 0.43 H new ATOM 0 HG2 MET A 99 -0.499 -2.499 1.728 1.00 0.68 H new ATOM 0 HG3 MET A 99 -1.957 -1.616 2.135 1.00 0.68 H new ATOM 0 HE1 MET A 99 -2.537 -2.699 5.889 1.00 2.37 H new ATOM 0 HE2 MET A 99 -3.101 -1.649 4.567 1.00 2.37 H new ATOM 0 HE3 MET A 99 -3.236 -3.417 4.418 1.00 2.37 H new ATOM 1541 N LEU A 100 -2.152 -6.646 0.270 1.00 0.30 N ATOM 1542 CA LEU A 100 -2.916 -7.711 -0.363 1.00 0.30 C ATOM 1543 C LEU A 100 -2.045 -8.457 -1.359 1.00 0.31 C ATOM 1544 O LEU A 100 -1.360 -7.847 -2.174 1.00 0.58 O ATOM 1545 CB LEU A 100 -4.172 -7.147 -1.045 1.00 0.30 C ATOM 1546 CG LEU A 100 -5.494 -7.468 -0.336 1.00 0.37 C ATOM 1547 CD1 LEU A 100 -6.677 -6.977 -1.153 1.00 0.40 C ATOM 1548 CD2 LEU A 100 -5.614 -8.962 -0.074 1.00 0.43 C ATOM 0 H LEU A 100 -1.369 -6.301 -0.285 1.00 0.30 H new ATOM 0 HA LEU A 100 -3.241 -8.413 0.405 1.00 0.30 H new ATOM 0 HB2 LEU A 100 -4.071 -6.064 -1.120 1.00 0.30 H new ATOM 0 HB3 LEU A 100 -4.219 -7.534 -2.063 1.00 0.30 H new ATOM 0 HG LEU A 100 -5.499 -6.948 0.622 1.00 0.37 H new ATOM 0 HD11 LEU A 100 -7.604 -7.215 -0.631 1.00 0.40 H new ATOM 0 HD12 LEU A 100 -6.604 -5.898 -1.287 1.00 0.40 H new ATOM 0 HD13 LEU A 100 -6.674 -7.465 -2.128 1.00 0.40 H new ATOM 0 HD21 LEU A 100 -6.558 -9.168 0.429 1.00 0.43 H new ATOM 0 HD22 LEU A 100 -5.582 -9.501 -1.021 1.00 0.43 H new ATOM 0 HD23 LEU A 100 -4.787 -9.288 0.557 1.00 0.43 H new ATOM 1560 N PHE A 101 -2.057 -9.780 -1.271 1.00 0.36 N ATOM 1561 CA PHE A 101 -1.247 -10.603 -2.155 1.00 0.36 C ATOM 1562 C PHE A 101 -2.097 -11.629 -2.898 1.00 0.38 C ATOM 1563 O PHE A 101 -3.314 -11.691 -2.722 1.00 0.88 O ATOM 1564 CB PHE A 101 -0.153 -11.305 -1.349 1.00 0.46 C ATOM 1565 CG PHE A 101 1.234 -10.769 -1.575 1.00 0.70 C ATOM 1566 CD1 PHE A 101 1.502 -9.981 -2.680 1.00 1.13 C ATOM 1567 CD2 PHE A 101 2.264 -11.043 -0.687 1.00 1.10 C ATOM 1568 CE1 PHE A 101 2.766 -9.478 -2.899 1.00 1.59 C ATOM 1569 CE2 PHE A 101 3.528 -10.539 -0.901 1.00 1.59 C ATOM 1570 CZ PHE A 101 3.806 -9.802 -1.968 1.00 1.75 C ATOM 0 H PHE A 101 -2.617 -10.304 -0.598 1.00 0.36 H new ATOM 0 HA PHE A 101 -0.788 -9.953 -2.900 1.00 0.36 H new ATOM 0 HB2 PHE A 101 -0.392 -11.222 -0.289 1.00 0.46 H new ATOM 0 HB3 PHE A 101 -0.163 -12.367 -1.596 1.00 0.46 H new ATOM 0 HD1 PHE A 101 0.710 -9.757 -3.380 1.00 1.13 H new ATOM 0 HD2 PHE A 101 2.073 -11.657 0.180 1.00 1.10 H new ATOM 0 HE1 PHE A 101 2.969 -8.852 -3.755 1.00 1.59 H new ATOM 0 HE2 PHE A 101 4.309 -10.748 -0.185 1.00 1.59 H new ATOM 0 HZ PHE A 101 4.812 -9.447 -2.135 1.00 1.75 H new ATOM 1580 N GLY A 102 -1.441 -12.414 -3.746 1.00 0.58 N ATOM 1581 CA GLY A 102 -2.134 -13.420 -4.534 1.00 0.60 C ATOM 1582 C GLY A 102 -2.620 -14.614 -3.727 1.00 0.73 C ATOM 1583 O GLY A 102 -1.997 -15.677 -3.749 1.00 1.49 O ATOM 0 H GLY A 102 -0.434 -12.372 -3.903 1.00 0.58 H new ATOM 0 HA2 GLY A 102 -2.989 -12.956 -5.026 1.00 0.60 H new ATOM 0 HA3 GLY A 102 -1.467 -13.774 -5.320 1.00 0.60 H new ATOM 1587 N ASN A 103 -3.749 -14.438 -3.037 1.00 0.56 N ATOM 1588 CA ASN A 103 -4.373 -15.498 -2.228 1.00 0.58 C ATOM 1589 C ASN A 103 -3.360 -16.283 -1.401 1.00 0.52 C ATOM 1590 O ASN A 103 -3.634 -17.411 -0.990 1.00 0.67 O ATOM 1591 CB ASN A 103 -5.134 -16.477 -3.123 1.00 0.76 C ATOM 1592 CG ASN A 103 -4.200 -17.271 -4.017 1.00 0.85 C ATOM 1593 OD1 ASN A 103 -3.855 -16.841 -5.115 1.00 1.55 O ATOM 1594 ND2 ASN A 103 -3.760 -18.424 -3.526 1.00 0.90 N ATOM 0 H ASN A 103 -4.261 -13.556 -3.021 1.00 0.56 H new ATOM 0 HA ASN A 103 -5.056 -14.995 -1.543 1.00 0.58 H new ATOM 0 HB2 ASN A 103 -5.712 -17.162 -2.502 1.00 0.76 H new ATOM 0 HB3 ASN A 103 -5.846 -15.927 -3.739 1.00 0.76 H new ATOM 0 HD21 ASN A 103 -3.108 -18.993 -4.066 1.00 0.90 H new ATOM 0 HD22 ASN A 103 -4.074 -18.741 -2.609 1.00 0.90 H new ATOM 1601 N GLU A 104 -2.196 -15.704 -1.162 1.00 0.43 N ATOM 1602 CA GLU A 104 -1.170 -16.386 -0.389 1.00 0.42 C ATOM 1603 C GLU A 104 -1.254 -16.031 1.082 1.00 0.42 C ATOM 1604 O GLU A 104 -1.963 -15.106 1.471 1.00 0.58 O ATOM 1605 CB GLU A 104 0.209 -16.061 -0.935 1.00 0.51 C ATOM 1606 CG GLU A 104 0.460 -14.574 -1.109 1.00 0.56 C ATOM 1607 CD GLU A 104 1.087 -14.245 -2.450 1.00 1.57 C ATOM 1608 OE1 GLU A 104 0.507 -14.628 -3.487 1.00 2.29 O ATOM 1609 OE2 GLU A 104 2.160 -13.610 -2.463 1.00 2.14 O ATOM 0 H GLU A 104 -1.938 -14.772 -1.488 1.00 0.43 H new ATOM 0 HA GLU A 104 -1.342 -17.458 -0.482 1.00 0.42 H new ATOM 0 HB2 GLU A 104 0.963 -16.472 -0.263 1.00 0.51 H new ATOM 0 HB3 GLU A 104 0.336 -16.557 -1.897 1.00 0.51 H new ATOM 0 HG2 GLU A 104 -0.483 -14.036 -1.010 1.00 0.56 H new ATOM 0 HG3 GLU A 104 1.113 -14.223 -0.310 1.00 0.56 H new ATOM 1616 N VAL A 105 -0.535 -16.795 1.889 1.00 0.50 N ATOM 1617 CA VAL A 105 -0.524 -16.602 3.329 1.00 0.56 C ATOM 1618 C VAL A 105 0.807 -17.053 3.925 1.00 0.61 C ATOM 1619 O VAL A 105 1.022 -18.244 4.157 1.00 0.72 O ATOM 1620 CB VAL A 105 -1.675 -17.391 3.977 1.00 0.66 C ATOM 1621 CG1 VAL A 105 -1.493 -17.496 5.486 1.00 0.80 C ATOM 1622 CG2 VAL A 105 -3.017 -16.755 3.651 1.00 0.67 C ATOM 0 H VAL A 105 0.054 -17.562 1.566 1.00 0.50 H new ATOM 0 HA VAL A 105 -0.655 -15.539 3.532 1.00 0.56 H new ATOM 0 HB VAL A 105 -1.657 -18.399 3.562 1.00 0.66 H new ATOM 0 HG11 VAL A 105 -2.322 -18.059 5.914 1.00 0.80 H new ATOM 0 HG12 VAL A 105 -0.556 -18.008 5.705 1.00 0.80 H new ATOM 0 HG13 VAL A 105 -1.470 -16.496 5.920 1.00 0.80 H new ATOM 0 HG21 VAL A 105 -3.816 -17.330 4.120 1.00 0.67 H new ATOM 0 HG22 VAL A 105 -3.036 -15.733 4.028 1.00 0.67 H new ATOM 0 HG23 VAL A 105 -3.162 -16.746 2.571 1.00 0.67 H new ATOM 1632 N ILE A 106 1.699 -16.098 4.162 1.00 0.58 N ATOM 1633 CA ILE A 106 3.009 -16.401 4.727 1.00 0.64 C ATOM 1634 C ILE A 106 3.474 -15.290 5.661 1.00 0.61 C ATOM 1635 O ILE A 106 3.373 -14.110 5.336 1.00 0.57 O ATOM 1636 CB ILE A 106 4.069 -16.592 3.620 1.00 0.74 C ATOM 1637 CG1 ILE A 106 3.663 -17.726 2.674 1.00 0.76 C ATOM 1638 CG2 ILE A 106 5.436 -16.875 4.236 1.00 1.31 C ATOM 1639 CD1 ILE A 106 4.615 -17.921 1.514 1.00 1.45 C ATOM 0 H ILE A 106 1.540 -15.109 3.972 1.00 0.58 H new ATOM 0 HA ILE A 106 2.903 -17.329 5.288 1.00 0.64 H new ATOM 0 HB ILE A 106 4.133 -15.670 3.042 1.00 0.74 H new ATOM 0 HG12 ILE A 106 3.600 -18.655 3.241 1.00 0.76 H new ATOM 0 HG13 ILE A 106 2.666 -17.522 2.284 1.00 0.76 H new ATOM 0 HG21 ILE A 106 6.172 -17.007 3.443 1.00 1.31 H new ATOM 0 HG22 ILE A 106 5.730 -16.038 4.869 1.00 1.31 H new ATOM 0 HG23 ILE A 106 5.383 -17.783 4.837 1.00 1.31 H new ATOM 0 HD11 ILE A 106 4.263 -18.741 0.888 1.00 1.45 H new ATOM 0 HD12 ILE A 106 4.660 -17.006 0.923 1.00 1.45 H new ATOM 0 HD13 ILE A 106 5.609 -18.157 1.895 1.00 1.45 H new ATOM 1651 N ASN A 107 3.996 -15.679 6.819 1.00 0.84 N ATOM 1652 CA ASN A 107 4.496 -14.720 7.798 1.00 0.90 C ATOM 1653 C ASN A 107 5.991 -14.919 8.002 1.00 0.91 C ATOM 1654 O ASN A 107 6.416 -15.904 8.606 1.00 1.02 O ATOM 1655 CB ASN A 107 3.765 -14.879 9.136 1.00 1.09 C ATOM 1656 CG ASN A 107 2.269 -14.602 9.053 1.00 1.00 C ATOM 1657 OD1 ASN A 107 1.784 -14.209 7.878 1.00 1.28 O flip ATOM 1658 ND2 ASN A 107 1.554 -14.737 10.046 1.00 1.21 N flip ATOM 0 H ASN A 107 4.084 -16.655 7.103 1.00 0.84 H new ATOM 0 HA ASN A 107 4.313 -13.714 7.419 1.00 0.90 H new ATOM 0 HB2 ASN A 107 3.918 -15.893 9.505 1.00 1.09 H new ATOM 0 HB3 ASN A 107 4.211 -14.203 9.866 1.00 1.09 H new ATOM 0 HD21 ASN A 107 1.962 -15.040 10.930 1.00 1.21 H new ATOM 0 HD22 ASN A 107 0.554 -14.546 9.984 1.00 1.21 H new ATOM 1665 N THR A 108 6.789 -13.989 7.487 1.00 0.86 N ATOM 1666 CA THR A 108 8.241 -14.089 7.611 1.00 0.89 C ATOM 1667 C THR A 108 8.812 -12.963 8.473 1.00 0.91 C ATOM 1668 O THR A 108 8.305 -12.689 9.561 1.00 1.16 O ATOM 1669 CB THR A 108 8.893 -14.095 6.228 1.00 0.90 C ATOM 1670 OG1 THR A 108 8.607 -12.895 5.531 1.00 1.07 O ATOM 1671 CG2 THR A 108 8.442 -15.250 5.360 1.00 0.92 C ATOM 0 H THR A 108 6.460 -13.165 6.984 1.00 0.86 H new ATOM 0 HA THR A 108 8.469 -15.030 8.111 1.00 0.89 H new ATOM 0 HB THR A 108 9.962 -14.196 6.414 1.00 0.90 H new ATOM 0 HG1 THR A 108 9.264 -12.768 4.815 1.00 1.07 H new ATOM 0 HG21 THR A 108 8.942 -15.195 4.393 1.00 0.92 H new ATOM 0 HG22 THR A 108 8.696 -16.192 5.847 1.00 0.92 H new ATOM 0 HG23 THR A 108 7.363 -15.196 5.214 1.00 0.92 H new ATOM 1679 N GLU A 109 9.878 -12.321 7.994 1.00 0.83 N ATOM 1680 CA GLU A 109 10.519 -11.242 8.733 1.00 0.86 C ATOM 1681 C GLU A 109 9.601 -10.028 8.837 1.00 0.73 C ATOM 1682 O GLU A 109 8.799 -9.923 9.766 1.00 0.87 O ATOM 1683 CB GLU A 109 11.841 -10.842 8.067 1.00 0.95 C ATOM 1684 CG GLU A 109 12.912 -11.925 8.105 1.00 1.22 C ATOM 1685 CD GLU A 109 12.653 -13.068 7.140 1.00 1.93 C ATOM 1686 OE1 GLU A 109 11.732 -13.869 7.393 1.00 2.37 O ATOM 1687 OE2 GLU A 109 13.376 -13.160 6.123 1.00 2.60 O ATOM 0 H GLU A 109 10.313 -12.533 7.096 1.00 0.83 H new ATOM 0 HA GLU A 109 10.726 -11.606 9.739 1.00 0.86 H new ATOM 0 HB2 GLU A 109 11.646 -10.576 7.028 1.00 0.95 H new ATOM 0 HB3 GLU A 109 12.226 -9.948 8.558 1.00 0.95 H new ATOM 0 HG2 GLU A 109 13.879 -11.477 7.874 1.00 1.22 H new ATOM 0 HG3 GLU A 109 12.979 -12.323 9.117 1.00 1.22 H new ATOM 1694 N ARG A 110 9.724 -9.116 7.881 1.00 0.63 N ATOM 1695 CA ARG A 110 8.905 -7.912 7.863 1.00 0.64 C ATOM 1696 C ARG A 110 7.716 -8.088 6.932 1.00 0.66 C ATOM 1697 O ARG A 110 6.841 -7.224 6.852 1.00 0.77 O ATOM 1698 CB ARG A 110 9.739 -6.707 7.417 1.00 0.63 C ATOM 1699 CG ARG A 110 10.891 -6.381 8.355 1.00 0.86 C ATOM 1700 CD ARG A 110 10.394 -5.997 9.740 1.00 1.64 C ATOM 1701 NE ARG A 110 11.491 -5.646 10.642 1.00 2.22 N ATOM 1702 CZ ARG A 110 12.298 -4.603 10.457 1.00 2.77 C ATOM 1703 NH1 ARG A 110 12.130 -3.804 9.410 1.00 3.01 N ATOM 1704 NH2 ARG A 110 13.272 -4.355 11.322 1.00 3.68 N ATOM 0 H ARG A 110 10.384 -9.188 7.107 1.00 0.63 H new ATOM 0 HA ARG A 110 8.537 -7.735 8.874 1.00 0.64 H new ATOM 0 HB2 ARG A 110 10.137 -6.900 6.421 1.00 0.63 H new ATOM 0 HB3 ARG A 110 9.089 -5.836 7.337 1.00 0.63 H new ATOM 0 HG2 ARG A 110 11.554 -7.243 8.432 1.00 0.86 H new ATOM 0 HG3 ARG A 110 11.479 -5.563 7.939 1.00 0.86 H new ATOM 0 HD2 ARG A 110 9.709 -5.153 9.658 1.00 1.64 H new ATOM 0 HD3 ARG A 110 9.828 -6.826 10.164 1.00 1.64 H new ATOM 0 HE ARG A 110 11.647 -6.235 11.460 1.00 2.22 H new ATOM 0 HH11 ARG A 110 11.380 -3.988 8.743 1.00 3.01 H new ATOM 0 HH12 ARG A 110 12.751 -3.006 9.272 1.00 3.01 H new ATOM 0 HH21 ARG A 110 13.404 -4.963 12.130 1.00 3.68 H new ATOM 0 HH22 ARG A 110 13.890 -3.556 11.179 1.00 3.68 H new ATOM 1718 N LEU A 111 7.693 -9.214 6.229 1.00 0.62 N ATOM 1719 CA LEU A 111 6.616 -9.508 5.298 1.00 0.63 C ATOM 1720 C LEU A 111 5.327 -9.849 6.036 1.00 0.56 C ATOM 1721 O LEU A 111 5.324 -10.647 6.973 1.00 0.66 O ATOM 1722 CB LEU A 111 7.010 -10.659 4.360 1.00 0.73 C ATOM 1723 CG LEU A 111 5.928 -11.130 3.376 1.00 0.94 C ATOM 1724 CD1 LEU A 111 4.919 -12.038 4.057 1.00 1.15 C ATOM 1725 CD2 LEU A 111 5.223 -9.945 2.736 1.00 1.64 C ATOM 0 H LEU A 111 8.410 -9.938 6.288 1.00 0.62 H new ATOM 0 HA LEU A 111 6.440 -8.613 4.701 1.00 0.63 H new ATOM 0 HB2 LEU A 111 7.884 -10.350 3.787 1.00 0.73 H new ATOM 0 HB3 LEU A 111 7.313 -11.510 4.970 1.00 0.73 H new ATOM 0 HG LEU A 111 6.425 -11.702 2.593 1.00 0.94 H new ATOM 0 HD11 LEU A 111 4.167 -12.354 3.334 1.00 1.15 H new ATOM 0 HD12 LEU A 111 5.429 -12.915 4.456 1.00 1.15 H new ATOM 0 HD13 LEU A 111 4.435 -11.498 4.871 1.00 1.15 H new ATOM 0 HD21 LEU A 111 4.462 -10.305 2.044 1.00 1.64 H new ATOM 0 HD22 LEU A 111 4.752 -9.340 3.511 1.00 1.64 H new ATOM 0 HD23 LEU A 111 5.949 -9.339 2.194 1.00 1.64 H new ATOM 1737 N THR A 112 4.235 -9.248 5.584 1.00 0.46 N ATOM 1738 CA THR A 112 2.927 -9.487 6.163 1.00 0.42 C ATOM 1739 C THR A 112 1.881 -9.642 5.070 1.00 0.39 C ATOM 1740 O THR A 112 1.874 -8.893 4.092 1.00 0.43 O ATOM 1741 CB THR A 112 2.524 -8.335 7.089 1.00 0.45 C ATOM 1742 OG1 THR A 112 3.001 -7.099 6.591 1.00 0.65 O ATOM 1743 CG2 THR A 112 3.015 -8.490 8.513 1.00 0.68 C ATOM 0 H THR A 112 4.234 -8.585 4.809 1.00 0.46 H new ATOM 0 HA THR A 112 2.982 -10.408 6.743 1.00 0.42 H new ATOM 0 HB THR A 112 1.434 -8.357 7.108 1.00 0.45 H new ATOM 0 HG1 THR A 112 2.731 -6.377 7.196 1.00 0.65 H new ATOM 0 HG21 THR A 112 2.689 -7.635 9.105 1.00 0.68 H new ATOM 0 HG22 THR A 112 2.606 -9.405 8.941 1.00 0.68 H new ATOM 0 HG23 THR A 112 4.104 -8.542 8.519 1.00 0.68 H new ATOM 1751 N VAL A 113 0.984 -10.600 5.253 1.00 0.36 N ATOM 1752 CA VAL A 113 -0.083 -10.831 4.296 1.00 0.38 C ATOM 1753 C VAL A 113 -1.230 -9.880 4.674 1.00 0.32 C ATOM 1754 O VAL A 113 -1.131 -9.237 5.717 1.00 0.30 O ATOM 1755 CB VAL A 113 -0.522 -12.321 4.329 1.00 0.45 C ATOM 1756 CG1 VAL A 113 -1.813 -12.514 5.114 1.00 1.52 C ATOM 1757 CG2 VAL A 113 -0.634 -12.891 2.922 1.00 1.18 C ATOM 0 H VAL A 113 0.976 -11.229 6.056 1.00 0.36 H new ATOM 0 HA VAL A 113 0.241 -10.631 3.275 1.00 0.38 H new ATOM 0 HB VAL A 113 0.255 -12.878 4.852 1.00 0.45 H new ATOM 0 HG11 VAL A 113 -2.085 -13.569 5.113 1.00 1.52 H new ATOM 0 HG12 VAL A 113 -1.668 -12.178 6.141 1.00 1.52 H new ATOM 0 HG13 VAL A 113 -2.611 -11.933 4.651 1.00 1.52 H new ATOM 0 HG21 VAL A 113 -0.943 -13.935 2.976 1.00 1.18 H new ATOM 0 HG22 VAL A 113 -1.373 -12.323 2.357 1.00 1.18 H new ATOM 0 HG23 VAL A 113 0.333 -12.824 2.424 1.00 1.18 H new ATOM 1767 N PRO A 114 -2.319 -9.750 3.867 1.00 0.35 N ATOM 1768 CA PRO A 114 -3.431 -8.862 4.170 1.00 0.36 C ATOM 1769 C PRO A 114 -3.493 -8.466 5.642 1.00 0.33 C ATOM 1770 O PRO A 114 -4.012 -9.204 6.480 1.00 0.35 O ATOM 1771 CB PRO A 114 -4.618 -9.724 3.755 1.00 0.43 C ATOM 1772 CG PRO A 114 -4.104 -10.553 2.608 1.00 0.46 C ATOM 1773 CD PRO A 114 -2.591 -10.437 2.603 1.00 0.42 C ATOM 0 HA PRO A 114 -3.373 -7.900 3.661 1.00 0.36 H new ATOM 0 HB2 PRO A 114 -4.958 -10.353 4.578 1.00 0.43 H new ATOM 0 HB3 PRO A 114 -5.466 -9.111 3.452 1.00 0.43 H new ATOM 0 HG2 PRO A 114 -4.408 -11.594 2.721 1.00 0.46 H new ATOM 0 HG3 PRO A 114 -4.519 -10.200 1.664 1.00 0.46 H new ATOM 0 HD2 PRO A 114 -2.110 -11.414 2.561 1.00 0.42 H new ATOM 0 HD3 PRO A 114 -2.231 -9.867 1.746 1.00 0.42 H new ATOM 1781 N HIS A 115 -2.929 -7.297 5.941 1.00 0.33 N ATOM 1782 CA HIS A 115 -2.874 -6.786 7.297 1.00 0.33 C ATOM 1783 C HIS A 115 -4.255 -6.387 7.777 1.00 0.34 C ATOM 1784 O HIS A 115 -4.853 -5.455 7.242 1.00 0.46 O ATOM 1785 CB HIS A 115 -1.938 -5.573 7.342 1.00 0.39 C ATOM 1786 CG HIS A 115 -1.696 -5.036 8.719 1.00 0.44 C ATOM 1787 ND1 HIS A 115 -2.710 -4.672 9.579 1.00 0.97 N ATOM 1788 CD2 HIS A 115 -0.538 -4.785 9.376 1.00 0.76 C ATOM 1789 CE1 HIS A 115 -2.188 -4.222 10.707 1.00 0.87 C ATOM 1790 NE2 HIS A 115 -0.873 -4.280 10.608 1.00 0.67 N ATOM 0 H HIS A 115 -2.500 -6.684 5.248 1.00 0.33 H new ATOM 0 HA HIS A 115 -2.496 -7.569 7.954 1.00 0.33 H new ATOM 0 HB2 HIS A 115 -0.981 -5.849 6.899 1.00 0.39 H new ATOM 0 HB3 HIS A 115 -2.359 -4.780 6.724 1.00 0.39 H new ATOM 0 HD2 HIS A 115 0.461 -4.951 9.001 1.00 0.76 H new ATOM 0 HE1 HIS A 115 -2.743 -3.867 11.563 1.00 0.87 H new ATOM 0 HE2 HIS A 115 -0.212 -3.995 11.331 1.00 0.67 H new ATOM 1799 N TYR A 116 -4.747 -7.085 8.799 1.00 0.34 N ATOM 1800 CA TYR A 116 -6.055 -6.778 9.362 1.00 0.42 C ATOM 1801 C TYR A 116 -6.153 -5.286 9.652 1.00 0.43 C ATOM 1802 O TYR A 116 -5.772 -4.822 10.727 1.00 0.49 O ATOM 1803 CB TYR A 116 -6.301 -7.595 10.639 1.00 0.52 C ATOM 1804 CG TYR A 116 -5.050 -7.942 11.433 1.00 0.70 C ATOM 1805 CD1 TYR A 116 -4.023 -7.014 11.564 1.00 1.13 C ATOM 1806 CD2 TYR A 116 -4.888 -9.184 12.046 1.00 0.89 C ATOM 1807 CE1 TYR A 116 -2.878 -7.309 12.277 1.00 1.64 C ATOM 1808 CE2 TYR A 116 -3.743 -9.483 12.760 1.00 1.31 C ATOM 1809 CZ TYR A 116 -2.775 -8.608 12.897 1.00 1.68 C ATOM 1810 OH TYR A 116 -1.601 -8.838 13.583 1.00 2.22 O ATOM 0 H TYR A 116 -4.262 -7.861 9.250 1.00 0.34 H new ATOM 0 HA TYR A 116 -6.823 -7.048 8.637 1.00 0.42 H new ATOM 0 HB2 TYR A 116 -6.979 -7.037 11.284 1.00 0.52 H new ATOM 0 HB3 TYR A 116 -6.809 -8.520 10.368 1.00 0.52 H new ATOM 0 HD1 TYR A 116 -4.123 -6.044 11.099 1.00 1.13 H new ATOM 0 HD2 TYR A 116 -5.670 -9.924 11.961 1.00 0.89 H new ATOM 0 HE1 TYR A 116 -2.080 -6.587 12.368 1.00 1.64 H new ATOM 0 HE2 TYR A 116 -3.643 -10.457 13.215 1.00 1.31 H new ATOM 0 HH TYR A 116 -1.619 -9.738 13.970 1.00 2.22 H new ATOM 1820 N ASP A 117 -6.639 -4.534 8.666 1.00 0.42 N ATOM 1821 CA ASP A 117 -6.750 -3.088 8.790 1.00 0.50 C ATOM 1822 C ASP A 117 -7.404 -2.495 7.546 1.00 0.52 C ATOM 1823 O ASP A 117 -8.372 -1.741 7.629 1.00 0.73 O ATOM 1824 CB ASP A 117 -5.349 -2.497 8.942 1.00 0.52 C ATOM 1825 CG ASP A 117 -5.366 -1.102 9.538 1.00 0.67 C ATOM 1826 OD1 ASP A 117 -5.981 -0.203 8.927 1.00 1.07 O ATOM 1827 OD2 ASP A 117 -4.766 -0.908 10.615 1.00 0.87 O ATOM 0 H ASP A 117 -6.962 -4.906 7.773 1.00 0.42 H new ATOM 0 HA ASP A 117 -7.363 -2.851 9.660 1.00 0.50 H new ATOM 0 HB2 ASP A 117 -4.749 -3.151 9.575 1.00 0.52 H new ATOM 0 HB3 ASP A 117 -4.864 -2.465 7.966 1.00 0.52 H new ATOM 1832 N MET A 118 -6.839 -2.848 6.398 1.00 0.38 N ATOM 1833 CA MET A 118 -7.309 -2.374 5.098 1.00 0.39 C ATOM 1834 C MET A 118 -8.793 -2.643 4.891 1.00 0.38 C ATOM 1835 O MET A 118 -9.467 -1.946 4.136 1.00 0.45 O ATOM 1836 CB MET A 118 -6.529 -3.089 3.998 1.00 0.44 C ATOM 1837 CG MET A 118 -6.784 -4.586 3.949 1.00 0.48 C ATOM 1838 SD MET A 118 -5.921 -5.391 2.588 1.00 1.29 S ATOM 1839 CE MET A 118 -6.555 -4.470 1.189 1.00 2.05 C ATOM 0 H MET A 118 -6.037 -3.475 6.340 1.00 0.38 H new ATOM 0 HA MET A 118 -7.151 -1.296 5.061 1.00 0.39 H new ATOM 0 HB2 MET A 118 -6.792 -2.652 3.035 1.00 0.44 H new ATOM 0 HB3 MET A 118 -5.463 -2.915 4.147 1.00 0.44 H new ATOM 0 HG2 MET A 118 -6.469 -5.036 4.891 1.00 0.48 H new ATOM 0 HG3 MET A 118 -7.855 -4.766 3.852 1.00 0.48 H new ATOM 0 HE1 MET A 118 -5.749 -4.288 0.478 1.00 2.05 H new ATOM 0 HE2 MET A 118 -7.345 -5.043 0.704 1.00 2.05 H new ATOM 0 HE3 MET A 118 -6.957 -3.517 1.533 1.00 2.05 H new ATOM 1849 N LYS A 119 -9.274 -3.682 5.545 1.00 0.40 N ATOM 1850 CA LYS A 119 -10.665 -4.102 5.430 1.00 0.47 C ATOM 1851 C LYS A 119 -11.573 -3.329 6.377 1.00 0.50 C ATOM 1852 O LYS A 119 -12.736 -3.680 6.570 1.00 0.80 O ATOM 1853 CB LYS A 119 -10.744 -5.598 5.698 1.00 0.57 C ATOM 1854 CG LYS A 119 -9.907 -6.022 6.891 1.00 0.69 C ATOM 1855 CD LYS A 119 -9.901 -7.532 7.071 1.00 0.80 C ATOM 1856 CE LYS A 119 -9.247 -8.235 5.890 1.00 1.02 C ATOM 1857 NZ LYS A 119 -7.842 -7.788 5.685 1.00 1.93 N ATOM 0 H LYS A 119 -8.716 -4.261 6.172 1.00 0.40 H new ATOM 0 HA LYS A 119 -11.017 -3.887 4.421 1.00 0.47 H new ATOM 0 HB2 LYS A 119 -11.783 -5.878 5.870 1.00 0.57 H new ATOM 0 HB3 LYS A 119 -10.410 -6.140 4.813 1.00 0.57 H new ATOM 0 HG2 LYS A 119 -8.884 -5.668 6.761 1.00 0.69 H new ATOM 0 HG3 LYS A 119 -10.296 -5.550 7.793 1.00 0.69 H new ATOM 0 HD2 LYS A 119 -9.369 -7.788 7.987 1.00 0.80 H new ATOM 0 HD3 LYS A 119 -10.924 -7.889 7.186 1.00 0.80 H new ATOM 0 HE2 LYS A 119 -9.265 -9.312 6.054 1.00 1.02 H new ATOM 0 HE3 LYS A 119 -9.825 -8.041 4.987 1.00 1.02 H new ATOM 0 HZ1 LYS A 119 -7.355 -8.454 5.052 1.00 1.93 H new ATOM 0 HZ2 LYS A 119 -7.838 -6.839 5.259 1.00 1.93 H new ATOM 0 HZ3 LYS A 119 -7.350 -7.758 6.601 1.00 1.93 H new ATOM 1871 N ASN A 120 -11.030 -2.267 6.953 1.00 0.49 N ATOM 1872 CA ASN A 120 -11.773 -1.416 7.871 1.00 0.52 C ATOM 1873 C ASN A 120 -11.367 0.029 7.635 1.00 0.56 C ATOM 1874 O ASN A 120 -11.506 0.880 8.513 1.00 0.74 O ATOM 1875 CB ASN A 120 -11.460 -1.801 9.319 1.00 0.53 C ATOM 1876 CG ASN A 120 -11.338 -3.297 9.509 1.00 1.17 C ATOM 1877 OD1 ASN A 120 -12.264 -4.057 9.229 1.00 2.11 O ATOM 1878 ND2 ASN A 120 -10.181 -3.720 10.000 1.00 1.30 N ATOM 0 H ASN A 120 -10.066 -1.971 6.798 1.00 0.49 H new ATOM 0 HA ASN A 120 -12.842 -1.541 7.697 1.00 0.52 H new ATOM 0 HB2 ASN A 120 -10.530 -1.322 9.626 1.00 0.53 H new ATOM 0 HB3 ASN A 120 -12.245 -1.418 9.971 1.00 0.53 H new ATOM 0 HD21 ASN A 120 -10.029 -4.716 10.161 1.00 1.30 H new ATOM 0 HD22 ASN A 120 -9.443 -3.050 10.216 1.00 1.30 H new ATOM 1885 N ARG A 121 -10.839 0.285 6.439 1.00 0.49 N ATOM 1886 CA ARG A 121 -10.362 1.615 6.062 1.00 0.58 C ATOM 1887 C ARG A 121 -10.360 1.774 4.546 1.00 0.63 C ATOM 1888 O ARG A 121 -9.733 0.986 3.839 1.00 1.07 O ATOM 1889 CB ARG A 121 -8.927 1.822 6.570 1.00 0.64 C ATOM 1890 CG ARG A 121 -8.740 1.599 8.064 1.00 0.91 C ATOM 1891 CD ARG A 121 -9.226 2.787 8.876 1.00 1.24 C ATOM 1892 NE ARG A 121 -9.073 2.565 10.312 1.00 1.84 N ATOM 1893 CZ ARG A 121 -9.419 3.456 11.237 1.00 2.55 C ATOM 1894 NH1 ARG A 121 -9.933 4.624 10.877 1.00 2.86 N ATOM 1895 NH2 ARG A 121 -9.252 3.178 12.523 1.00 3.50 N ATOM 0 H ARG A 121 -10.730 -0.418 5.708 1.00 0.49 H new ATOM 0 HA ARG A 121 -11.031 2.351 6.508 1.00 0.58 H new ATOM 0 HB2 ARG A 121 -8.264 1.145 6.030 1.00 0.64 H new ATOM 0 HB3 ARG A 121 -8.613 2.837 6.326 1.00 0.64 H new ATOM 0 HG2 ARG A 121 -9.282 0.704 8.369 1.00 0.91 H new ATOM 0 HG3 ARG A 121 -7.686 1.421 8.276 1.00 0.91 H new ATOM 0 HD2 ARG A 121 -8.669 3.678 8.585 1.00 1.24 H new ATOM 0 HD3 ARG A 121 -10.275 2.978 8.648 1.00 1.24 H new ATOM 0 HE ARG A 121 -8.679 1.677 10.623 1.00 1.84 H new ATOM 0 HH11 ARG A 121 -10.064 4.841 9.889 1.00 2.86 H new ATOM 0 HH12 ARG A 121 -10.198 5.306 11.588 1.00 2.86 H new ATOM 0 HH21 ARG A 121 -8.858 2.280 12.804 1.00 3.50 H new ATOM 0 HH22 ARG A 121 -9.518 3.862 13.231 1.00 3.50 H new ATOM 1909 N GLY A 122 -11.034 2.806 4.044 1.00 0.62 N ATOM 1910 CA GLY A 122 -11.055 3.042 2.611 1.00 0.61 C ATOM 1911 C GLY A 122 -9.714 3.509 2.108 1.00 0.56 C ATOM 1912 O GLY A 122 -9.540 3.784 0.924 1.00 0.70 O ATOM 0 H GLY A 122 -11.562 3.479 4.600 1.00 0.62 H new ATOM 0 HA2 GLY A 122 -11.339 2.125 2.094 1.00 0.61 H new ATOM 0 HA3 GLY A 122 -11.813 3.789 2.375 1.00 0.61 H new ATOM 1916 N PHE A 123 -8.758 3.586 3.019 1.00 0.52 N ATOM 1917 CA PHE A 123 -7.415 4.010 2.686 1.00 0.58 C ATOM 1918 C PHE A 123 -6.772 2.972 1.776 1.00 0.42 C ATOM 1919 O PHE A 123 -6.079 3.307 0.818 1.00 0.43 O ATOM 1920 CB PHE A 123 -6.579 4.191 3.964 1.00 0.84 C ATOM 1921 CG PHE A 123 -7.150 5.153 4.985 1.00 1.19 C ATOM 1922 CD1 PHE A 123 -8.521 5.333 5.076 1.00 2.11 C ATOM 1923 CD2 PHE A 123 -6.331 5.884 5.837 1.00 1.62 C ATOM 1924 CE1 PHE A 123 -9.061 6.214 5.993 1.00 3.16 C ATOM 1925 CE2 PHE A 123 -6.867 6.766 6.754 1.00 2.59 C ATOM 1926 CZ PHE A 123 -8.162 6.911 6.892 1.00 3.31 C ATOM 0 H PHE A 123 -8.893 3.357 4.004 1.00 0.52 H new ATOM 0 HA PHE A 123 -7.457 4.968 2.168 1.00 0.58 H new ATOM 0 HB2 PHE A 123 -6.455 3.217 4.437 1.00 0.84 H new ATOM 0 HB3 PHE A 123 -5.585 4.537 3.681 1.00 0.84 H new ATOM 0 HD1 PHE A 123 -9.176 4.777 4.421 1.00 2.11 H new ATOM 0 HD2 PHE A 123 -5.260 5.760 5.781 1.00 1.62 H new ATOM 0 HE1 PHE A 123 -10.127 6.380 6.039 1.00 3.16 H new ATOM 0 HE2 PHE A 123 -6.203 7.351 7.373 1.00 2.59 H new ATOM 0 HZ PHE A 123 -8.557 7.546 7.671 1.00 3.31 H new ATOM 1936 N MET A 124 -7.008 1.702 2.102 1.00 0.37 N ATOM 1937 CA MET A 124 -6.465 0.587 1.332 1.00 0.38 C ATOM 1938 C MET A 124 -7.409 0.113 0.220 1.00 0.38 C ATOM 1939 O MET A 124 -7.051 0.130 -0.958 1.00 0.57 O ATOM 1940 CB MET A 124 -6.126 -0.579 2.266 1.00 0.50 C ATOM 1941 CG MET A 124 -4.930 -0.308 3.166 1.00 0.90 C ATOM 1942 SD MET A 124 -5.211 1.048 4.321 1.00 1.99 S ATOM 1943 CE MET A 124 -3.628 1.117 5.160 1.00 2.44 C ATOM 0 H MET A 124 -7.576 1.420 2.901 1.00 0.37 H new ATOM 0 HA MET A 124 -5.560 0.949 0.845 1.00 0.38 H new ATOM 0 HB2 MET A 124 -6.994 -0.801 2.886 1.00 0.50 H new ATOM 0 HB3 MET A 124 -5.926 -1.467 1.667 1.00 0.50 H new ATOM 0 HG2 MET A 124 -4.692 -1.212 3.726 1.00 0.90 H new ATOM 0 HG3 MET A 124 -4.062 -0.078 2.548 1.00 0.90 H new ATOM 0 HE1 MET A 124 -3.561 2.041 5.735 1.00 2.44 H new ATOM 0 HE2 MET A 124 -3.535 0.264 5.832 1.00 2.44 H new ATOM 0 HE3 MET A 124 -2.825 1.088 4.424 1.00 2.44 H new ATOM 1953 N LEU A 125 -8.597 -0.351 0.611 1.00 0.37 N ATOM 1954 CA LEU A 125 -9.585 -0.880 -0.338 1.00 0.41 C ATOM 1955 C LEU A 125 -9.931 0.086 -1.467 1.00 0.34 C ATOM 1956 O LEU A 125 -9.864 -0.290 -2.634 1.00 0.40 O ATOM 1957 CB LEU A 125 -10.870 -1.276 0.390 1.00 0.53 C ATOM 1958 CG LEU A 125 -10.733 -2.427 1.387 1.00 0.61 C ATOM 1959 CD1 LEU A 125 -12.097 -3.016 1.696 1.00 0.85 C ATOM 1960 CD2 LEU A 125 -9.798 -3.507 0.859 1.00 0.76 C ATOM 0 H LEU A 125 -8.902 -0.372 1.584 1.00 0.37 H new ATOM 0 HA LEU A 125 -9.116 -1.753 -0.792 1.00 0.41 H new ATOM 0 HB2 LEU A 125 -11.251 -0.403 0.920 1.00 0.53 H new ATOM 0 HB3 LEU A 125 -11.619 -1.549 -0.353 1.00 0.53 H new ATOM 0 HG LEU A 125 -10.301 -2.029 2.305 1.00 0.61 H new ATOM 0 HD11 LEU A 125 -11.987 -3.835 2.407 1.00 0.85 H new ATOM 0 HD12 LEU A 125 -12.737 -2.246 2.126 1.00 0.85 H new ATOM 0 HD13 LEU A 125 -12.548 -3.391 0.777 1.00 0.85 H new ATOM 0 HD21 LEU A 125 -9.721 -4.311 1.591 1.00 0.76 H new ATOM 0 HD22 LEU A 125 -10.192 -3.904 -0.077 1.00 0.76 H new ATOM 0 HD23 LEU A 125 -8.810 -3.080 0.685 1.00 0.76 H new ATOM 1972 N TRP A 126 -10.337 1.309 -1.130 1.00 0.31 N ATOM 1973 CA TRP A 126 -10.726 2.281 -2.152 1.00 0.32 C ATOM 1974 C TRP A 126 -9.700 2.352 -3.297 1.00 0.29 C ATOM 1975 O TRP A 126 -10.053 2.121 -4.452 1.00 0.31 O ATOM 1976 CB TRP A 126 -10.944 3.663 -1.534 1.00 0.38 C ATOM 1977 CG TRP A 126 -11.257 4.726 -2.540 1.00 0.46 C ATOM 1978 CD1 TRP A 126 -10.639 5.931 -2.658 1.00 0.46 C ATOM 1979 CD2 TRP A 126 -12.261 4.684 -3.563 1.00 0.93 C ATOM 1980 NE1 TRP A 126 -11.191 6.647 -3.692 1.00 0.54 N ATOM 1981 CE2 TRP A 126 -12.188 5.902 -4.264 1.00 0.94 C ATOM 1982 CE3 TRP A 126 -13.211 3.736 -3.957 1.00 1.45 C ATOM 1983 CZ2 TRP A 126 -13.030 6.197 -5.334 1.00 1.42 C ATOM 1984 CZ3 TRP A 126 -14.046 4.031 -5.017 1.00 1.96 C ATOM 1985 CH2 TRP A 126 -13.950 5.252 -5.697 1.00 1.93 C ATOM 0 H TRP A 126 -10.405 1.648 -0.170 1.00 0.31 H new ATOM 0 HA TRP A 126 -11.669 1.940 -2.580 1.00 0.32 H new ATOM 0 HB2 TRP A 126 -11.760 3.605 -0.813 1.00 0.38 H new ATOM 0 HB3 TRP A 126 -10.050 3.950 -0.981 1.00 0.38 H new ATOM 0 HD1 TRP A 126 -9.831 6.275 -2.030 1.00 0.46 H new ATOM 0 HE1 TRP A 126 -10.905 7.581 -3.986 1.00 0.54 H new ATOM 0 HE3 TRP A 126 -13.290 2.790 -3.442 1.00 1.45 H new ATOM 0 HZ2 TRP A 126 -12.959 7.138 -5.858 1.00 1.42 H new ATOM 0 HZ3 TRP A 126 -14.786 3.308 -5.327 1.00 1.96 H new ATOM 0 HH2 TRP A 126 -14.615 5.451 -6.524 1.00 1.93 H new ATOM 1996 N PRO A 127 -8.417 2.672 -3.010 1.00 0.28 N ATOM 1997 CA PRO A 127 -7.377 2.757 -4.052 1.00 0.29 C ATOM 1998 C PRO A 127 -7.102 1.411 -4.721 1.00 0.28 C ATOM 1999 O PRO A 127 -7.102 1.308 -5.947 1.00 0.31 O ATOM 2000 CB PRO A 127 -6.132 3.234 -3.294 1.00 0.30 C ATOM 2001 CG PRO A 127 -6.650 3.793 -2.016 1.00 0.31 C ATOM 2002 CD PRO A 127 -7.867 2.981 -1.679 1.00 0.29 C ATOM 0 HA PRO A 127 -7.681 3.422 -4.861 1.00 0.29 H new ATOM 0 HB2 PRO A 127 -5.441 2.411 -3.113 1.00 0.30 H new ATOM 0 HB3 PRO A 127 -5.588 3.988 -3.863 1.00 0.30 H new ATOM 0 HG2 PRO A 127 -5.902 3.723 -1.226 1.00 0.31 H new ATOM 0 HG3 PRO A 127 -6.901 4.848 -2.124 1.00 0.31 H new ATOM 0 HD2 PRO A 127 -7.612 2.078 -1.125 1.00 0.29 H new ATOM 0 HD3 PRO A 127 -8.574 3.542 -1.067 1.00 0.29 H new ATOM 2010 N LEU A 128 -6.865 0.386 -3.904 1.00 0.25 N ATOM 2011 CA LEU A 128 -6.586 -0.961 -4.405 1.00 0.26 C ATOM 2012 C LEU A 128 -7.708 -1.431 -5.323 1.00 0.27 C ATOM 2013 O LEU A 128 -7.488 -2.197 -6.264 1.00 0.29 O ATOM 2014 CB LEU A 128 -6.464 -1.932 -3.230 1.00 0.26 C ATOM 2015 CG LEU A 128 -5.351 -2.963 -3.326 1.00 0.29 C ATOM 2016 CD1 LEU A 128 -4.012 -2.340 -2.967 1.00 0.30 C ATOM 2017 CD2 LEU A 128 -5.654 -4.138 -2.411 1.00 0.44 C ATOM 0 H LEU A 128 -6.860 0.463 -2.887 1.00 0.25 H new ATOM 0 HA LEU A 128 -5.652 -0.935 -4.966 1.00 0.26 H new ATOM 0 HB2 LEU A 128 -6.316 -1.351 -2.319 1.00 0.26 H new ATOM 0 HB3 LEU A 128 -7.412 -2.460 -3.121 1.00 0.26 H new ATOM 0 HG LEU A 128 -5.293 -3.322 -4.354 1.00 0.29 H new ATOM 0 HD11 LEU A 128 -3.228 -3.094 -3.042 1.00 0.30 H new ATOM 0 HD12 LEU A 128 -3.795 -1.522 -3.654 1.00 0.30 H new ATOM 0 HD13 LEU A 128 -4.051 -1.957 -1.947 1.00 0.30 H new ATOM 0 HD21 LEU A 128 -4.852 -4.873 -2.485 1.00 0.44 H new ATOM 0 HD22 LEU A 128 -5.731 -3.787 -1.382 1.00 0.44 H new ATOM 0 HD23 LEU A 128 -6.596 -4.598 -2.709 1.00 0.44 H new ATOM 2029 N PHE A 129 -8.913 -0.958 -5.025 1.00 0.28 N ATOM 2030 CA PHE A 129 -10.116 -1.298 -5.793 1.00 0.30 C ATOM 2031 C PHE A 129 -9.925 -0.960 -7.265 1.00 0.30 C ATOM 2032 O PHE A 129 -10.710 -1.355 -8.125 1.00 0.32 O ATOM 2033 CB PHE A 129 -11.316 -0.516 -5.236 1.00 0.36 C ATOM 2034 CG PHE A 129 -12.566 -0.616 -6.070 1.00 0.42 C ATOM 2035 CD1 PHE A 129 -13.217 -1.832 -6.212 1.00 0.47 C ATOM 2036 CD2 PHE A 129 -13.092 0.498 -6.701 1.00 0.48 C ATOM 2037 CE1 PHE A 129 -14.367 -1.933 -6.968 1.00 0.55 C ATOM 2038 CE2 PHE A 129 -14.244 0.403 -7.459 1.00 0.56 C ATOM 2039 CZ PHE A 129 -14.865 -0.790 -7.621 1.00 0.58 C ATOM 0 H PHE A 129 -9.089 -0.326 -4.244 1.00 0.28 H new ATOM 0 HA PHE A 129 -10.299 -2.369 -5.703 1.00 0.30 H new ATOM 0 HB2 PHE A 129 -11.535 -0.877 -4.231 1.00 0.36 H new ATOM 0 HB3 PHE A 129 -11.039 0.534 -5.144 1.00 0.36 H new ATOM 0 HD1 PHE A 129 -12.819 -2.710 -5.725 1.00 0.47 H new ATOM 0 HD2 PHE A 129 -12.597 1.452 -6.600 1.00 0.48 H new ATOM 0 HE1 PHE A 129 -14.880 -2.879 -7.058 1.00 0.55 H new ATOM 0 HE2 PHE A 129 -14.652 1.287 -7.926 1.00 0.56 H new ATOM 0 HZ PHE A 129 -15.740 -0.864 -8.250 1.00 0.58 H new ATOM 2049 N GLU A 130 -8.888 -0.193 -7.528 1.00 0.29 N ATOM 2050 CA GLU A 130 -8.585 0.252 -8.886 1.00 0.31 C ATOM 2051 C GLU A 130 -7.409 -0.502 -9.501 1.00 0.29 C ATOM 2052 O GLU A 130 -7.389 -0.743 -10.708 1.00 0.32 O ATOM 2053 CB GLU A 130 -8.302 1.755 -8.901 1.00 0.36 C ATOM 2054 CG GLU A 130 -8.091 2.321 -10.296 1.00 0.93 C ATOM 2055 CD GLU A 130 -7.887 3.824 -10.292 1.00 1.41 C ATOM 2056 OE1 GLU A 130 -8.772 4.542 -9.787 1.00 1.52 O ATOM 2057 OE2 GLU A 130 -6.835 4.279 -10.790 1.00 2.43 O ATOM 0 H GLU A 130 -8.233 0.140 -6.820 1.00 0.29 H new ATOM 0 HA GLU A 130 -9.464 0.036 -9.493 1.00 0.31 H new ATOM 0 HB2 GLU A 130 -9.134 2.277 -8.428 1.00 0.36 H new ATOM 0 HB3 GLU A 130 -7.416 1.955 -8.299 1.00 0.36 H new ATOM 0 HG2 GLU A 130 -7.224 1.842 -10.751 1.00 0.93 H new ATOM 0 HG3 GLU A 130 -8.953 2.077 -10.917 1.00 0.93 H new ATOM 2064 N ILE A 131 -6.420 -0.856 -8.686 1.00 0.26 N ATOM 2065 CA ILE A 131 -5.251 -1.558 -9.201 1.00 0.27 C ATOM 2066 C ILE A 131 -5.604 -2.985 -9.575 1.00 0.27 C ATOM 2067 O ILE A 131 -5.021 -3.563 -10.490 1.00 0.30 O ATOM 2068 CB ILE A 131 -4.106 -1.562 -8.170 1.00 0.27 C ATOM 2069 CG1 ILE A 131 -4.370 -2.564 -7.033 1.00 0.29 C ATOM 2070 CG2 ILE A 131 -3.944 -0.162 -7.610 1.00 0.32 C ATOM 2071 CD1 ILE A 131 -3.191 -2.745 -6.104 1.00 0.59 C ATOM 0 H ILE A 131 -6.404 -0.672 -7.683 1.00 0.26 H new ATOM 0 HA ILE A 131 -4.916 -1.028 -10.092 1.00 0.27 H new ATOM 0 HB ILE A 131 -3.188 -1.874 -8.669 1.00 0.27 H new ATOM 0 HG12 ILE A 131 -5.230 -2.227 -6.454 1.00 0.29 H new ATOM 0 HG13 ILE A 131 -4.635 -3.530 -7.464 1.00 0.29 H new ATOM 0 HG21 ILE A 131 -3.136 -0.154 -6.879 1.00 0.32 H new ATOM 0 HG22 ILE A 131 -3.708 0.529 -8.420 1.00 0.32 H new ATOM 0 HG23 ILE A 131 -4.872 0.147 -7.128 1.00 0.32 H new ATOM 0 HD11 ILE A 131 -3.447 -3.465 -5.327 1.00 0.59 H new ATOM 0 HD12 ILE A 131 -2.335 -3.112 -6.670 1.00 0.59 H new ATOM 0 HD13 ILE A 131 -2.940 -1.789 -5.645 1.00 0.59 H new ATOM 2083 N ALA A 132 -6.594 -3.519 -8.874 1.00 0.24 N ATOM 2084 CA ALA A 132 -7.092 -4.869 -9.114 1.00 0.25 C ATOM 2085 C ALA A 132 -7.973 -5.323 -7.959 1.00 0.23 C ATOM 2086 O ALA A 132 -7.497 -5.916 -6.996 1.00 0.28 O ATOM 2087 CB ALA A 132 -5.953 -5.856 -9.324 1.00 0.30 C ATOM 0 H ALA A 132 -7.077 -3.029 -8.121 1.00 0.24 H new ATOM 0 HA ALA A 132 -7.686 -4.844 -10.027 1.00 0.25 H new ATOM 0 HB1 ALA A 132 -6.362 -6.851 -9.500 1.00 0.30 H new ATOM 0 HB2 ALA A 132 -5.360 -5.550 -10.186 1.00 0.30 H new ATOM 0 HB3 ALA A 132 -5.320 -5.875 -8.437 1.00 0.30 H new ATOM 2093 N PRO A 133 -9.277 -5.039 -8.030 1.00 0.25 N ATOM 2094 CA PRO A 133 -10.212 -5.407 -6.981 1.00 0.31 C ATOM 2095 C PRO A 133 -10.817 -6.784 -7.198 1.00 0.35 C ATOM 2096 O PRO A 133 -11.790 -7.158 -6.542 1.00 0.45 O ATOM 2097 CB PRO A 133 -11.253 -4.316 -7.112 1.00 0.37 C ATOM 2098 CG PRO A 133 -11.345 -4.083 -8.580 1.00 0.37 C ATOM 2099 CD PRO A 133 -9.954 -4.317 -9.124 1.00 0.29 C ATOM 0 HA PRO A 133 -9.754 -5.477 -5.995 1.00 0.31 H new ATOM 0 HB2 PRO A 133 -12.211 -4.626 -6.696 1.00 0.37 H new ATOM 0 HB3 PRO A 133 -10.953 -3.412 -6.582 1.00 0.37 H new ATOM 0 HG2 PRO A 133 -12.063 -4.762 -9.039 1.00 0.37 H new ATOM 0 HG3 PRO A 133 -11.683 -3.069 -8.794 1.00 0.37 H new ATOM 0 HD2 PRO A 133 -9.975 -4.905 -10.041 1.00 0.29 H new ATOM 0 HD3 PRO A 133 -9.451 -3.379 -9.358 1.00 0.29 H new ATOM 2107 N GLU A 134 -10.221 -7.542 -8.106 1.00 0.32 N ATOM 2108 CA GLU A 134 -10.683 -8.887 -8.398 1.00 0.37 C ATOM 2109 C GLU A 134 -9.914 -9.892 -7.550 1.00 0.37 C ATOM 2110 O GLU A 134 -9.849 -11.077 -7.880 1.00 0.52 O ATOM 2111 CB GLU A 134 -10.506 -9.208 -9.883 1.00 0.44 C ATOM 2112 CG GLU A 134 -9.062 -9.143 -10.357 1.00 0.46 C ATOM 2113 CD GLU A 134 -8.910 -9.492 -11.826 1.00 0.54 C ATOM 2114 OE1 GLU A 134 -9.937 -9.788 -12.474 1.00 1.14 O ATOM 2115 OE2 GLU A 134 -7.767 -9.471 -12.329 1.00 0.87 O ATOM 0 H GLU A 134 -9.414 -7.245 -8.654 1.00 0.32 H new ATOM 0 HA GLU A 134 -11.744 -8.951 -8.157 1.00 0.37 H new ATOM 0 HB2 GLU A 134 -10.898 -10.206 -10.079 1.00 0.44 H new ATOM 0 HB3 GLU A 134 -11.103 -8.510 -10.470 1.00 0.44 H new ATOM 0 HG2 GLU A 134 -8.672 -8.140 -10.184 1.00 0.46 H new ATOM 0 HG3 GLU A 134 -8.457 -9.827 -9.761 1.00 0.46 H new ATOM 2122 N LEU A 135 -9.327 -9.406 -6.459 1.00 0.30 N ATOM 2123 CA LEU A 135 -8.558 -10.264 -5.568 1.00 0.35 C ATOM 2124 C LEU A 135 -9.488 -10.988 -4.606 1.00 0.34 C ATOM 2125 O LEU A 135 -10.417 -10.395 -4.065 1.00 0.39 O ATOM 2126 CB LEU A 135 -7.544 -9.437 -4.774 1.00 0.41 C ATOM 2127 CG LEU A 135 -6.274 -10.172 -4.316 1.00 0.69 C ATOM 2128 CD1 LEU A 135 -5.475 -9.287 -3.390 1.00 1.27 C ATOM 2129 CD2 LEU A 135 -6.589 -11.485 -3.614 1.00 1.41 C ATOM 0 H LEU A 135 -9.370 -8.428 -6.174 1.00 0.30 H new ATOM 0 HA LEU A 135 -8.024 -10.997 -6.173 1.00 0.35 H new ATOM 0 HB2 LEU A 135 -7.245 -8.585 -5.384 1.00 0.41 H new ATOM 0 HB3 LEU A 135 -8.045 -9.037 -3.892 1.00 0.41 H new ATOM 0 HG LEU A 135 -5.694 -10.404 -5.209 1.00 0.69 H new ATOM 0 HD11 LEU A 135 -4.576 -9.814 -3.069 1.00 1.27 H new ATOM 0 HD12 LEU A 135 -5.193 -8.373 -3.913 1.00 1.27 H new ATOM 0 HD13 LEU A 135 -6.078 -9.034 -2.518 1.00 1.27 H new ATOM 0 HD21 LEU A 135 -5.660 -11.967 -3.309 1.00 1.41 H new ATOM 0 HD22 LEU A 135 -7.202 -11.289 -2.734 1.00 1.41 H new ATOM 0 HD23 LEU A 135 -7.131 -12.141 -4.295 1.00 1.41 H new ATOM 2141 N VAL A 136 -9.219 -12.264 -4.390 1.00 0.36 N ATOM 2142 CA VAL A 136 -10.016 -13.068 -3.481 1.00 0.38 C ATOM 2143 C VAL A 136 -9.119 -13.974 -2.640 1.00 0.42 C ATOM 2144 O VAL A 136 -8.171 -14.570 -3.153 1.00 0.53 O ATOM 2145 CB VAL A 136 -11.048 -13.926 -4.240 1.00 0.41 C ATOM 2146 CG1 VAL A 136 -10.361 -14.784 -5.292 1.00 0.46 C ATOM 2147 CG2 VAL A 136 -11.841 -14.791 -3.274 1.00 0.44 C ATOM 0 H VAL A 136 -8.451 -12.767 -4.834 1.00 0.36 H new ATOM 0 HA VAL A 136 -10.554 -12.382 -2.827 1.00 0.38 H new ATOM 0 HB VAL A 136 -11.743 -13.257 -4.747 1.00 0.41 H new ATOM 0 HG11 VAL A 136 -11.106 -15.382 -5.817 1.00 0.46 H new ATOM 0 HG12 VAL A 136 -9.844 -14.141 -6.005 1.00 0.46 H new ATOM 0 HG13 VAL A 136 -9.640 -15.444 -4.809 1.00 0.46 H new ATOM 0 HG21 VAL A 136 -12.564 -15.389 -3.830 1.00 0.44 H new ATOM 0 HG22 VAL A 136 -11.162 -15.452 -2.735 1.00 0.44 H new ATOM 0 HG23 VAL A 136 -12.367 -14.154 -2.563 1.00 0.44 H new ATOM 2157 N PHE A 137 -9.419 -14.074 -1.348 1.00 0.46 N ATOM 2158 CA PHE A 137 -8.639 -14.906 -0.445 1.00 0.53 C ATOM 2159 C PHE A 137 -8.958 -16.378 -0.679 1.00 0.57 C ATOM 2160 O PHE A 137 -9.988 -16.702 -1.270 1.00 0.60 O ATOM 2161 CB PHE A 137 -8.943 -14.543 1.015 1.00 0.59 C ATOM 2162 CG PHE A 137 -8.500 -13.161 1.422 1.00 0.58 C ATOM 2163 CD1 PHE A 137 -8.812 -12.052 0.651 1.00 0.55 C ATOM 2164 CD2 PHE A 137 -7.773 -12.978 2.588 1.00 0.66 C ATOM 2165 CE1 PHE A 137 -8.407 -10.788 1.035 1.00 0.59 C ATOM 2166 CE2 PHE A 137 -7.366 -11.718 2.976 1.00 0.68 C ATOM 2167 CZ PHE A 137 -7.681 -10.620 2.199 1.00 0.64 C ATOM 0 H PHE A 137 -10.198 -13.587 -0.905 1.00 0.46 H new ATOM 0 HA PHE A 137 -7.582 -14.730 -0.643 1.00 0.53 H new ATOM 0 HB2 PHE A 137 -10.017 -14.630 1.182 1.00 0.59 H new ATOM 0 HB3 PHE A 137 -8.459 -15.272 1.665 1.00 0.59 H new ATOM 0 HD1 PHE A 137 -9.378 -12.177 -0.260 1.00 0.55 H new ATOM 0 HD2 PHE A 137 -7.522 -13.832 3.200 1.00 0.66 H new ATOM 0 HE1 PHE A 137 -8.658 -9.932 0.426 1.00 0.59 H new ATOM 0 HE2 PHE A 137 -6.801 -11.590 3.887 1.00 0.68 H new ATOM 0 HZ PHE A 137 -7.361 -9.633 2.500 1.00 0.64 H new ATOM 2177 N PRO A 138 -8.089 -17.294 -0.208 1.00 0.60 N ATOM 2178 CA PRO A 138 -8.316 -18.734 -0.366 1.00 0.66 C ATOM 2179 C PRO A 138 -9.683 -19.146 0.175 1.00 0.73 C ATOM 2180 O PRO A 138 -10.136 -20.272 -0.031 1.00 0.78 O ATOM 2181 CB PRO A 138 -7.193 -19.366 0.461 1.00 0.70 C ATOM 2182 CG PRO A 138 -6.125 -18.330 0.508 1.00 0.75 C ATOM 2183 CD PRO A 138 -6.838 -17.007 0.519 1.00 0.62 C ATOM 0 HA PRO A 138 -8.309 -19.046 -1.410 1.00 0.66 H new ATOM 0 HB2 PRO A 138 -7.537 -19.625 1.462 1.00 0.70 H new ATOM 0 HB3 PRO A 138 -6.832 -20.285 0.000 1.00 0.70 H new ATOM 0 HG2 PRO A 138 -5.505 -18.448 1.397 1.00 0.75 H new ATOM 0 HG3 PRO A 138 -5.464 -18.411 -0.355 1.00 0.75 H new ATOM 0 HD2 PRO A 138 -7.032 -16.662 1.535 1.00 0.62 H new ATOM 0 HD3 PRO A 138 -6.254 -16.230 0.025 1.00 0.62 H new ATOM 2191 N ASP A 139 -10.331 -18.212 0.870 1.00 0.77 N ATOM 2192 CA ASP A 139 -11.644 -18.446 1.453 1.00 0.87 C ATOM 2193 C ASP A 139 -12.745 -17.964 0.512 1.00 0.80 C ATOM 2194 O ASP A 139 -13.551 -18.754 0.016 1.00 1.03 O ATOM 2195 CB ASP A 139 -11.754 -17.704 2.786 1.00 0.92 C ATOM 2196 CG ASP A 139 -12.920 -18.191 3.628 1.00 1.33 C ATOM 2197 OD1 ASP A 139 -14.072 -18.090 3.160 1.00 1.72 O ATOM 2198 OD2 ASP A 139 -12.678 -18.673 4.754 1.00 1.91 O ATOM 0 H ASP A 139 -9.960 -17.278 1.042 1.00 0.77 H new ATOM 0 HA ASP A 139 -11.765 -19.517 1.615 1.00 0.87 H new ATOM 0 HB2 ASP A 139 -10.828 -17.831 3.346 1.00 0.92 H new ATOM 0 HB3 ASP A 139 -11.868 -16.637 2.596 1.00 0.92 H new ATOM 2203 N GLY A 140 -12.772 -16.655 0.274 1.00 0.59 N ATOM 2204 CA GLY A 140 -13.771 -16.066 -0.600 1.00 0.59 C ATOM 2205 C GLY A 140 -13.763 -14.550 -0.536 1.00 0.61 C ATOM 2206 O GLY A 140 -14.278 -13.880 -1.432 1.00 0.95 O ATOM 0 H GLY A 140 -12.113 -15.987 0.675 1.00 0.59 H new ATOM 0 HA2 GLY A 140 -13.588 -16.386 -1.626 1.00 0.59 H new ATOM 0 HA3 GLY A 140 -14.758 -16.435 -0.322 1.00 0.59 H new ATOM 2210 N GLU A 141 -13.173 -14.014 0.531 1.00 0.51 N ATOM 2211 CA GLU A 141 -13.083 -12.573 0.732 1.00 0.62 C ATOM 2212 C GLU A 141 -12.470 -11.890 -0.486 1.00 0.53 C ATOM 2213 O GLU A 141 -11.658 -12.480 -1.186 1.00 0.59 O ATOM 2214 CB GLU A 141 -12.232 -12.287 1.967 1.00 0.86 C ATOM 2215 CG GLU A 141 -12.174 -10.820 2.341 1.00 1.38 C ATOM 2216 CD GLU A 141 -11.349 -10.571 3.589 1.00 2.15 C ATOM 2217 OE1 GLU A 141 -11.709 -11.115 4.655 1.00 2.53 O ATOM 2218 OE2 GLU A 141 -10.345 -9.835 3.500 1.00 2.76 O ATOM 0 H GLU A 141 -12.747 -14.565 1.276 1.00 0.51 H new ATOM 0 HA GLU A 141 -14.088 -12.177 0.875 1.00 0.62 H new ATOM 0 HB2 GLU A 141 -12.630 -12.852 2.810 1.00 0.86 H new ATOM 0 HB3 GLU A 141 -11.219 -12.648 1.791 1.00 0.86 H new ATOM 0 HG2 GLU A 141 -11.752 -10.253 1.511 1.00 1.38 H new ATOM 0 HG3 GLU A 141 -13.186 -10.448 2.498 1.00 1.38 H new ATOM 2225 N MET A 142 -12.866 -10.645 -0.736 1.00 0.48 N ATOM 2226 CA MET A 142 -12.351 -9.894 -1.876 1.00 0.41 C ATOM 2227 C MET A 142 -12.256 -8.406 -1.554 1.00 0.37 C ATOM 2228 O MET A 142 -12.889 -7.929 -0.617 1.00 0.39 O ATOM 2229 CB MET A 142 -13.266 -10.086 -3.086 1.00 0.42 C ATOM 2230 CG MET A 142 -13.376 -11.528 -3.556 1.00 0.49 C ATOM 2231 SD MET A 142 -14.445 -11.708 -4.998 1.00 0.55 S ATOM 2232 CE MET A 142 -15.993 -11.077 -4.356 1.00 1.68 C ATOM 0 H MET A 142 -13.541 -10.136 -0.165 1.00 0.48 H new ATOM 0 HA MET A 142 -11.353 -10.270 -2.102 1.00 0.41 H new ATOM 0 HB2 MET A 142 -14.262 -9.719 -2.837 1.00 0.42 H new ATOM 0 HB3 MET A 142 -12.897 -9.474 -3.909 1.00 0.42 H new ATOM 0 HG2 MET A 142 -12.382 -11.905 -3.796 1.00 0.49 H new ATOM 0 HG3 MET A 142 -13.762 -12.143 -2.743 1.00 0.49 H new ATOM 0 HE1 MET A 142 -16.793 -11.285 -5.066 1.00 1.68 H new ATOM 0 HE2 MET A 142 -16.217 -11.561 -3.405 1.00 1.68 H new ATOM 0 HE3 MET A 142 -15.913 -10.000 -4.205 1.00 1.68 H new ATOM 2242 N LEU A 143 -11.490 -7.669 -2.358 1.00 0.38 N ATOM 2243 CA LEU A 143 -11.351 -6.245 -2.183 1.00 0.39 C ATOM 2244 C LEU A 143 -12.729 -5.611 -2.306 1.00 0.41 C ATOM 2245 O LEU A 143 -13.028 -4.602 -1.664 1.00 0.50 O ATOM 2246 CB LEU A 143 -10.377 -5.739 -3.256 1.00 0.44 C ATOM 2247 CG LEU A 143 -10.192 -4.228 -3.403 1.00 0.51 C ATOM 2248 CD1 LEU A 143 -9.015 -3.957 -4.315 1.00 1.38 C ATOM 2249 CD2 LEU A 143 -11.451 -3.576 -3.950 1.00 1.56 C ATOM 0 H LEU A 143 -10.957 -8.050 -3.140 1.00 0.38 H new ATOM 0 HA LEU A 143 -10.952 -5.982 -1.203 1.00 0.39 H new ATOM 0 HB2 LEU A 143 -9.400 -6.177 -3.053 1.00 0.44 H new ATOM 0 HB3 LEU A 143 -10.708 -6.130 -4.218 1.00 0.44 H new ATOM 0 HG LEU A 143 -9.997 -3.797 -2.421 1.00 0.51 H new ATOM 0 HD11 LEU A 143 -8.879 -2.881 -4.423 1.00 1.38 H new ATOM 0 HD12 LEU A 143 -8.114 -4.396 -3.886 1.00 1.38 H new ATOM 0 HD13 LEU A 143 -9.203 -4.399 -5.293 1.00 1.38 H new ATOM 0 HD21 LEU A 143 -11.293 -2.502 -4.045 1.00 1.56 H new ATOM 0 HD22 LEU A 143 -11.683 -3.996 -4.929 1.00 1.56 H new ATOM 0 HD23 LEU A 143 -12.282 -3.762 -3.269 1.00 1.56 H new ATOM 2261 N ARG A 144 -13.565 -6.239 -3.126 1.00 0.39 N ATOM 2262 CA ARG A 144 -14.928 -5.773 -3.345 1.00 0.47 C ATOM 2263 C ARG A 144 -15.840 -6.317 -2.248 1.00 0.49 C ATOM 2264 O ARG A 144 -16.671 -5.595 -1.696 1.00 0.56 O ATOM 2265 CB ARG A 144 -15.422 -6.226 -4.726 1.00 0.54 C ATOM 2266 CG ARG A 144 -16.684 -5.520 -5.211 1.00 0.77 C ATOM 2267 CD ARG A 144 -17.924 -5.943 -4.433 1.00 0.88 C ATOM 2268 NE ARG A 144 -19.126 -5.268 -4.915 1.00 1.47 N ATOM 2269 CZ ARG A 144 -20.335 -5.446 -4.392 1.00 2.12 C ATOM 2270 NH1 ARG A 144 -20.505 -6.272 -3.365 1.00 2.68 N ATOM 2271 NH2 ARG A 144 -21.377 -4.796 -4.892 1.00 2.83 N ATOM 0 H ARG A 144 -13.320 -7.077 -3.653 1.00 0.39 H new ATOM 0 HA ARG A 144 -14.946 -4.684 -3.310 1.00 0.47 H new ATOM 0 HB2 ARG A 144 -14.627 -6.062 -5.454 1.00 0.54 H new ATOM 0 HB3 ARG A 144 -15.610 -7.299 -4.696 1.00 0.54 H new ATOM 0 HG2 ARG A 144 -16.552 -4.442 -5.119 1.00 0.77 H new ATOM 0 HG3 ARG A 144 -16.832 -5.734 -6.269 1.00 0.77 H new ATOM 0 HD2 ARG A 144 -18.055 -7.022 -4.517 1.00 0.88 H new ATOM 0 HD3 ARG A 144 -17.782 -5.721 -3.375 1.00 0.88 H new ATOM 0 HE ARG A 144 -19.032 -4.622 -5.699 1.00 1.47 H new ATOM 0 HH11 ARG A 144 -19.706 -6.772 -2.975 1.00 2.68 H new ATOM 0 HH12 ARG A 144 -21.434 -6.406 -2.967 1.00 2.68 H new ATOM 0 HH21 ARG A 144 -21.251 -4.159 -5.679 1.00 2.83 H new ATOM 0 HH22 ARG A 144 -22.304 -4.933 -4.490 1.00 2.83 H new ATOM 2285 N GLN A 145 -15.669 -7.601 -1.944 1.00 0.47 N ATOM 2286 CA GLN A 145 -16.463 -8.269 -0.917 1.00 0.52 C ATOM 2287 C GLN A 145 -16.401 -7.519 0.411 1.00 0.48 C ATOM 2288 O GLN A 145 -17.417 -7.360 1.087 1.00 0.56 O ATOM 2289 CB GLN A 145 -15.979 -9.716 -0.744 1.00 0.57 C ATOM 2290 CG GLN A 145 -16.624 -10.458 0.420 1.00 0.64 C ATOM 2291 CD GLN A 145 -15.948 -10.184 1.757 1.00 0.60 C ATOM 2292 OE1 GLN A 145 -14.851 -9.430 1.733 1.00 0.67 O flip ATOM 2293 NE2 GLN A 145 -16.406 -10.651 2.798 1.00 0.52 N flip ATOM 0 H GLN A 145 -14.982 -8.203 -2.398 1.00 0.47 H new ATOM 0 HA GLN A 145 -17.504 -8.277 -1.240 1.00 0.52 H new ATOM 0 HB2 GLN A 145 -16.177 -10.265 -1.664 1.00 0.57 H new ATOM 0 HB3 GLN A 145 -14.898 -9.711 -0.602 1.00 0.57 H new ATOM 0 HG2 GLN A 145 -17.674 -10.173 0.486 1.00 0.64 H new ATOM 0 HG3 GLN A 145 -16.596 -11.529 0.219 1.00 0.64 H new ATOM 0 HE21 GLN A 145 -17.249 -11.224 2.772 1.00 0.52 H new ATOM 0 HE22 GLN A 145 -15.943 -10.465 3.687 1.00 0.52 H new ATOM 2302 N ILE A 146 -15.207 -7.064 0.784 1.00 0.40 N ATOM 2303 CA ILE A 146 -15.031 -6.339 2.035 1.00 0.40 C ATOM 2304 C ILE A 146 -15.831 -5.045 2.014 1.00 0.43 C ATOM 2305 O ILE A 146 -16.434 -4.661 3.012 1.00 0.53 O ATOM 2306 CB ILE A 146 -13.552 -6.018 2.320 1.00 0.42 C ATOM 2307 CG1 ILE A 146 -12.713 -7.300 2.303 1.00 0.43 C ATOM 2308 CG2 ILE A 146 -13.423 -5.318 3.665 1.00 0.50 C ATOM 2309 CD1 ILE A 146 -11.228 -7.060 2.475 1.00 0.78 C ATOM 0 H ILE A 146 -14.353 -7.185 0.240 1.00 0.40 H new ATOM 0 HA ILE A 146 -15.394 -6.989 2.831 1.00 0.40 H new ATOM 0 HB ILE A 146 -13.180 -5.354 1.540 1.00 0.42 H new ATOM 0 HG12 ILE A 146 -13.059 -7.961 3.098 1.00 0.43 H new ATOM 0 HG13 ILE A 146 -12.881 -7.821 1.360 1.00 0.43 H new ATOM 0 HG21 ILE A 146 -12.374 -5.094 3.860 1.00 0.50 H new ATOM 0 HG22 ILE A 146 -13.995 -4.390 3.649 1.00 0.50 H new ATOM 0 HG23 ILE A 146 -13.807 -5.967 4.452 1.00 0.50 H new ATOM 0 HD11 ILE A 146 -10.700 -8.013 2.452 1.00 0.78 H new ATOM 0 HD12 ILE A 146 -10.866 -6.426 1.666 1.00 0.78 H new ATOM 0 HD13 ILE A 146 -11.047 -6.568 3.431 1.00 0.78 H new ATOM 2321 N LEU A 147 -15.834 -4.379 0.860 1.00 0.42 N ATOM 2322 CA LEU A 147 -16.573 -3.133 0.701 1.00 0.50 C ATOM 2323 C LEU A 147 -18.041 -3.332 1.073 1.00 0.59 C ATOM 2324 O LEU A 147 -18.682 -2.434 1.610 1.00 0.72 O ATOM 2325 CB LEU A 147 -16.458 -2.622 -0.738 1.00 0.55 C ATOM 2326 CG LEU A 147 -15.041 -2.263 -1.191 1.00 0.61 C ATOM 2327 CD1 LEU A 147 -15.039 -1.832 -2.650 1.00 0.76 C ATOM 2328 CD2 LEU A 147 -14.460 -1.164 -0.312 1.00 0.62 C ATOM 0 H LEU A 147 -15.333 -4.683 0.025 1.00 0.42 H new ATOM 0 HA LEU A 147 -16.141 -2.390 1.371 1.00 0.50 H new ATOM 0 HB2 LEU A 147 -16.855 -3.383 -1.410 1.00 0.55 H new ATOM 0 HB3 LEU A 147 -17.091 -1.741 -0.845 1.00 0.55 H new ATOM 0 HG LEU A 147 -14.416 -3.150 -1.092 1.00 0.61 H new ATOM 0 HD11 LEU A 147 -14.023 -1.581 -2.954 1.00 0.76 H new ATOM 0 HD12 LEU A 147 -15.412 -2.647 -3.271 1.00 0.76 H new ATOM 0 HD13 LEU A 147 -15.681 -0.959 -2.772 1.00 0.76 H new ATOM 0 HD21 LEU A 147 -13.452 -0.923 -0.650 1.00 0.62 H new ATOM 0 HD22 LEU A 147 -15.088 -0.275 -0.378 1.00 0.62 H new ATOM 0 HD23 LEU A 147 -14.424 -1.506 0.722 1.00 0.62 H new ATOM 2340 N HIS A 148 -18.565 -4.520 0.798 1.00 0.59 N ATOM 2341 CA HIS A 148 -19.953 -4.830 1.125 1.00 0.73 C ATOM 2342 C HIS A 148 -20.173 -4.730 2.632 1.00 0.79 C ATOM 2343 O HIS A 148 -21.297 -4.553 3.102 1.00 0.90 O ATOM 2344 CB HIS A 148 -20.315 -6.233 0.633 1.00 0.77 C ATOM 2345 CG HIS A 148 -21.727 -6.629 0.939 1.00 0.93 C ATOM 2346 ND1 HIS A 148 -22.822 -5.931 0.474 1.00 1.36 N ATOM 2347 CD2 HIS A 148 -22.220 -7.657 1.670 1.00 1.58 C ATOM 2348 CE1 HIS A 148 -23.927 -6.513 0.906 1.00 1.28 C ATOM 2349 NE2 HIS A 148 -23.588 -7.562 1.632 1.00 1.34 N ATOM 0 H HIS A 148 -18.054 -5.282 0.352 1.00 0.59 H new ATOM 0 HA HIS A 148 -20.598 -4.107 0.625 1.00 0.73 H new ATOM 0 HB2 HIS A 148 -20.158 -6.283 -0.444 1.00 0.77 H new ATOM 0 HB3 HIS A 148 -19.637 -6.955 1.088 1.00 0.77 H new ATOM 0 HD2 HIS A 148 -21.644 -8.411 2.186 1.00 1.58 H new ATOM 0 HE1 HIS A 148 -24.936 -6.186 0.700 1.00 1.28 H new ATOM 0 HE2 HIS A 148 -24.239 -8.200 2.091 1.00 1.34 H new ATOM 2358 N THR A 149 -19.080 -4.850 3.377 1.00 0.77 N ATOM 2359 CA THR A 149 -19.120 -4.782 4.832 1.00 0.88 C ATOM 2360 C THR A 149 -18.888 -3.354 5.333 1.00 0.86 C ATOM 2361 O THR A 149 -19.691 -2.822 6.098 1.00 0.94 O ATOM 2362 CB THR A 149 -18.073 -5.729 5.426 1.00 0.90 C ATOM 2363 OG1 THR A 149 -18.379 -7.074 5.107 1.00 1.10 O ATOM 2364 CG2 THR A 149 -17.954 -5.630 6.933 1.00 1.18 C ATOM 0 H THR A 149 -18.147 -4.996 2.992 1.00 0.77 H new ATOM 0 HA THR A 149 -20.113 -5.090 5.158 1.00 0.88 H new ATOM 0 HB THR A 149 -17.125 -5.421 4.985 1.00 0.90 H new ATOM 0 HG1 THR A 149 -17.699 -7.665 5.493 1.00 1.10 H new ATOM 0 HG21 THR A 149 -17.195 -6.328 7.285 1.00 1.18 H new ATOM 0 HG22 THR A 149 -17.669 -4.615 7.210 1.00 1.18 H new ATOM 0 HG23 THR A 149 -18.912 -5.876 7.391 1.00 1.18 H new ATOM 2372 N ARG A 150 -17.786 -2.740 4.905 1.00 0.86 N ATOM 2373 CA ARG A 150 -17.460 -1.377 5.327 1.00 0.93 C ATOM 2374 C ARG A 150 -17.878 -0.341 4.284 1.00 0.95 C ATOM 2375 O ARG A 150 -18.479 0.678 4.622 1.00 1.05 O ATOM 2376 CB ARG A 150 -15.964 -1.241 5.644 1.00 0.99 C ATOM 2377 CG ARG A 150 -15.082 -2.315 5.019 1.00 0.96 C ATOM 2378 CD ARG A 150 -14.962 -2.156 3.517 1.00 1.26 C ATOM 2379 NE ARG A 150 -14.274 -0.931 3.125 1.00 2.01 N ATOM 2380 CZ ARG A 150 -13.015 -0.652 3.445 1.00 2.55 C ATOM 2381 NH1 ARG A 150 -12.328 -1.450 4.250 1.00 2.55 N ATOM 2382 NH2 ARG A 150 -12.440 0.432 2.955 1.00 3.55 N ATOM 0 H ARG A 150 -17.107 -3.161 4.270 1.00 0.86 H new ATOM 0 HA ARG A 150 -18.029 -1.181 6.236 1.00 0.93 H new ATOM 0 HB2 ARG A 150 -15.621 -0.264 5.303 1.00 0.99 H new ATOM 0 HB3 ARG A 150 -15.832 -1.265 6.726 1.00 0.99 H new ATOM 0 HG2 ARG A 150 -14.089 -2.273 5.467 1.00 0.96 H new ATOM 0 HG3 ARG A 150 -15.494 -3.298 5.247 1.00 0.96 H new ATOM 0 HD2 ARG A 150 -14.427 -3.013 3.108 1.00 1.26 H new ATOM 0 HD3 ARG A 150 -15.959 -2.163 3.076 1.00 1.26 H new ATOM 0 HE ARG A 150 -14.791 -0.247 2.572 1.00 2.01 H new ATOM 0 HH11 ARG A 150 -12.765 -2.289 4.631 1.00 2.55 H new ATOM 0 HH12 ARG A 150 -11.362 -1.225 4.488 1.00 2.55 H new ATOM 0 HH21 ARG A 150 -12.962 1.050 2.334 1.00 3.55 H new ATOM 0 HH22 ARG A 150 -11.474 0.651 3.198 1.00 3.55 H new ATOM 2396 N ALA A 151 -17.556 -0.602 3.024 1.00 0.94 N ATOM 2397 CA ALA A 151 -17.895 0.312 1.938 1.00 1.04 C ATOM 2398 C ALA A 151 -17.314 1.695 2.194 1.00 1.11 C ATOM 2399 O ALA A 151 -18.039 2.635 2.521 1.00 1.59 O ATOM 2400 CB ALA A 151 -19.405 0.395 1.760 1.00 1.61 C ATOM 0 H ALA A 151 -17.059 -1.442 2.727 1.00 0.94 H new ATOM 0 HA ALA A 151 -17.459 -0.078 1.018 1.00 1.04 H new ATOM 0 HB1 ALA A 151 -19.638 1.081 0.946 1.00 1.61 H new ATOM 0 HB2 ALA A 151 -19.799 -0.594 1.525 1.00 1.61 H new ATOM 0 HB3 ALA A 151 -19.861 0.757 2.682 1.00 1.61 H new ATOM 2406 N PHE A 152 -15.998 1.812 2.051 1.00 1.09 N ATOM 2407 CA PHE A 152 -15.316 3.075 2.277 1.00 1.61 C ATOM 2408 C PHE A 152 -14.748 3.646 0.981 1.00 1.38 C ATOM 2409 O PHE A 152 -13.532 3.723 0.807 1.00 1.90 O ATOM 2410 CB PHE A 152 -14.185 2.893 3.292 1.00 2.51 C ATOM 2411 CG PHE A 152 -14.625 2.717 4.722 1.00 3.40 C ATOM 2412 CD1 PHE A 152 -15.914 2.314 5.043 1.00 3.42 C ATOM 2413 CD2 PHE A 152 -13.733 2.965 5.752 1.00 4.44 C ATOM 2414 CE1 PHE A 152 -16.300 2.162 6.362 1.00 4.40 C ATOM 2415 CE2 PHE A 152 -14.113 2.816 7.073 1.00 5.41 C ATOM 2416 CZ PHE A 152 -15.398 2.412 7.378 1.00 5.37 C ATOM 0 H PHE A 152 -15.384 1.044 1.779 1.00 1.09 H new ATOM 0 HA PHE A 152 -16.051 3.778 2.668 1.00 1.61 H new ATOM 0 HB2 PHE A 152 -13.595 2.024 3.001 1.00 2.51 H new ATOM 0 HB3 PHE A 152 -13.526 3.759 3.236 1.00 2.51 H new ATOM 0 HD1 PHE A 152 -16.624 2.117 4.253 1.00 3.42 H new ATOM 0 HD2 PHE A 152 -12.726 3.279 5.520 1.00 4.44 H new ATOM 0 HE1 PHE A 152 -17.306 1.848 6.598 1.00 4.40 H new ATOM 0 HE2 PHE A 152 -13.406 3.015 7.865 1.00 5.41 H new ATOM 0 HZ PHE A 152 -15.697 2.292 8.409 1.00 5.37 H new ATOM 2426 N ASP A 153 -15.633 4.075 0.085 1.00 1.04 N ATOM 2427 CA ASP A 153 -15.215 4.674 -1.177 1.00 1.18 C ATOM 2428 C ASP A 153 -14.729 6.100 -0.923 1.00 1.01 C ATOM 2429 O ASP A 153 -14.755 6.954 -1.808 1.00 1.40 O ATOM 2430 CB ASP A 153 -16.374 4.680 -2.174 1.00 1.46 C ATOM 2431 CG ASP A 153 -16.890 3.285 -2.471 1.00 2.05 C ATOM 2432 OD1 ASP A 153 -17.341 2.605 -1.525 1.00 2.54 O ATOM 2433 OD2 ASP A 153 -16.843 2.874 -3.648 1.00 2.52 O ATOM 0 H ASP A 153 -16.644 4.019 0.210 1.00 1.04 H new ATOM 0 HA ASP A 153 -14.402 4.085 -1.602 1.00 1.18 H new ATOM 0 HB2 ASP A 153 -17.187 5.288 -1.778 1.00 1.46 H new ATOM 0 HB3 ASP A 153 -16.048 5.149 -3.102 1.00 1.46 H new ATOM 2438 N LYS A 154 -14.303 6.333 0.316 1.00 0.68 N ATOM 2439 CA LYS A 154 -13.814 7.626 0.765 1.00 0.59 C ATOM 2440 C LYS A 154 -12.574 8.073 -0.006 1.00 0.52 C ATOM 2441 O LYS A 154 -12.398 7.743 -1.178 1.00 0.67 O ATOM 2442 CB LYS A 154 -13.480 7.532 2.255 1.00 0.63 C ATOM 2443 CG LYS A 154 -14.687 7.257 3.138 1.00 0.79 C ATOM 2444 CD LYS A 154 -14.321 7.294 4.617 1.00 0.93 C ATOM 2445 CE LYS A 154 -13.297 6.225 4.972 1.00 0.94 C ATOM 2446 NZ LYS A 154 -12.913 6.280 6.410 1.00 1.77 N ATOM 0 H LYS A 154 -14.289 5.617 1.043 1.00 0.68 H new ATOM 0 HA LYS A 154 -14.594 8.366 0.585 1.00 0.59 H new ATOM 0 HB2 LYS A 154 -12.745 6.741 2.404 1.00 0.63 H new ATOM 0 HB3 LYS A 154 -13.014 8.465 2.573 1.00 0.63 H new ATOM 0 HG2 LYS A 154 -15.462 7.996 2.936 1.00 0.79 H new ATOM 0 HG3 LYS A 154 -15.105 6.281 2.890 1.00 0.79 H new ATOM 0 HD2 LYS A 154 -13.923 8.277 4.869 1.00 0.93 H new ATOM 0 HD3 LYS A 154 -15.219 7.151 5.218 1.00 0.93 H new ATOM 0 HE2 LYS A 154 -13.705 5.241 4.743 1.00 0.94 H new ATOM 0 HE3 LYS A 154 -12.409 6.354 4.354 1.00 0.94 H new ATOM 0 HZ1 LYS A 154 -12.214 5.536 6.611 1.00 1.77 H new ATOM 0 HZ2 LYS A 154 -12.500 7.210 6.624 1.00 1.77 H new ATOM 0 HZ3 LYS A 154 -13.756 6.132 7.000 1.00 1.77 H new ATOM 2460 N LEU A 155 -11.720 8.830 0.676 1.00 0.55 N ATOM 2461 CA LEU A 155 -10.486 9.338 0.095 1.00 0.57 C ATOM 2462 C LEU A 155 -10.756 10.198 -1.133 1.00 0.51 C ATOM 2463 O LEU A 155 -10.665 9.723 -2.265 1.00 0.61 O ATOM 2464 CB LEU A 155 -9.549 8.187 -0.274 1.00 0.67 C ATOM 2465 CG LEU A 155 -9.247 7.186 0.842 1.00 0.81 C ATOM 2466 CD1 LEU A 155 -8.060 6.326 0.450 1.00 1.81 C ATOM 2467 CD2 LEU A 155 -8.984 7.899 2.162 1.00 1.95 C ATOM 0 H LEU A 155 -11.866 9.107 1.647 1.00 0.55 H new ATOM 0 HA LEU A 155 -10.006 9.963 0.849 1.00 0.57 H new ATOM 0 HB2 LEU A 155 -9.984 7.645 -1.114 1.00 0.67 H new ATOM 0 HB3 LEU A 155 -8.606 8.609 -0.622 1.00 0.67 H new ATOM 0 HG LEU A 155 -10.119 6.546 0.982 1.00 0.81 H new ATOM 0 HD11 LEU A 155 -7.848 5.614 1.247 1.00 1.81 H new ATOM 0 HD12 LEU A 155 -8.290 5.785 -0.468 1.00 1.81 H new ATOM 0 HD13 LEU A 155 -7.189 6.960 0.288 1.00 1.81 H new ATOM 0 HD21 LEU A 155 -8.772 7.163 2.937 1.00 1.95 H new ATOM 0 HD22 LEU A 155 -8.129 8.566 2.051 1.00 1.95 H new ATOM 0 HD23 LEU A 155 -9.863 8.480 2.443 1.00 1.95 H new ATOM 2479 N ASN A 156 -11.063 11.468 -0.904 1.00 0.54 N ATOM 2480 CA ASN A 156 -11.316 12.395 -1.998 1.00 0.54 C ATOM 2481 C ASN A 156 -9.996 12.789 -2.651 1.00 0.53 C ATOM 2482 O ASN A 156 -9.074 13.233 -1.968 1.00 0.75 O ATOM 2483 CB ASN A 156 -12.052 13.638 -1.493 1.00 0.63 C ATOM 2484 CG ASN A 156 -11.281 14.369 -0.412 1.00 1.07 C ATOM 2485 OD1 ASN A 156 -11.003 13.815 0.652 1.00 2.09 O ATOM 2486 ND2 ASN A 156 -10.933 15.624 -0.679 1.00 1.34 N ATOM 0 H ASN A 156 -11.143 11.878 0.026 1.00 0.54 H new ATOM 0 HA ASN A 156 -11.948 11.904 -2.737 1.00 0.54 H new ATOM 0 HB2 ASN A 156 -12.231 14.315 -2.328 1.00 0.63 H new ATOM 0 HB3 ASN A 156 -13.028 13.346 -1.105 1.00 0.63 H new ATOM 0 HD21 ASN A 156 -10.415 16.167 0.011 1.00 1.34 H new ATOM 0 HD22 ASN A 156 -11.184 16.043 -1.574 1.00 1.34 H new ATOM 2493 N LYS A 157 -9.912 12.608 -3.968 1.00 0.46 N ATOM 2494 CA LYS A 157 -8.698 12.928 -4.720 1.00 0.46 C ATOM 2495 C LYS A 157 -8.002 14.174 -4.181 1.00 0.48 C ATOM 2496 O LYS A 157 -8.654 15.149 -3.805 1.00 0.64 O ATOM 2497 CB LYS A 157 -9.022 13.117 -6.203 1.00 0.54 C ATOM 2498 CG LYS A 157 -9.372 11.825 -6.921 1.00 0.60 C ATOM 2499 CD LYS A 157 -9.736 12.078 -8.375 1.00 1.33 C ATOM 2500 CE LYS A 157 -10.082 10.786 -9.096 1.00 1.77 C ATOM 2501 NZ LYS A 157 -10.439 11.024 -10.522 1.00 2.30 N ATOM 0 H LYS A 157 -10.673 12.240 -4.539 1.00 0.46 H new ATOM 0 HA LYS A 157 -8.016 12.086 -4.601 1.00 0.46 H new ATOM 0 HB2 LYS A 157 -9.856 13.812 -6.298 1.00 0.54 H new ATOM 0 HB3 LYS A 157 -8.166 13.577 -6.697 1.00 0.54 H new ATOM 0 HG2 LYS A 157 -8.527 11.139 -6.870 1.00 0.60 H new ATOM 0 HG3 LYS A 157 -10.207 11.340 -6.415 1.00 0.60 H new ATOM 0 HD2 LYS A 157 -10.583 12.762 -8.425 1.00 1.33 H new ATOM 0 HD3 LYS A 157 -8.902 12.566 -8.880 1.00 1.33 H new ATOM 0 HE2 LYS A 157 -9.234 10.103 -9.043 1.00 1.77 H new ATOM 0 HE3 LYS A 157 -10.916 10.300 -8.589 1.00 1.77 H new ATOM 0 HZ1 LYS A 157 -10.668 10.118 -10.978 1.00 2.30 H new ATOM 0 HZ2 LYS A 157 -11.264 11.656 -10.573 1.00 2.30 H new ATOM 0 HZ3 LYS A 157 -9.635 11.465 -11.012 1.00 2.30 H new ATOM 2515 N TRP A 158 -6.671 14.117 -4.157 1.00 0.45 N ATOM 2516 CA TRP A 158 -5.838 15.218 -3.680 1.00 0.54 C ATOM 2517 C TRP A 158 -6.456 16.572 -4.021 1.00 0.75 C ATOM 2518 O TRP A 158 -6.584 16.878 -5.226 1.00 1.21 O ATOM 2519 CB TRP A 158 -4.447 15.102 -4.308 1.00 0.62 C ATOM 2520 CG TRP A 158 -3.544 16.268 -4.036 1.00 0.71 C ATOM 2521 CD1 TRP A 158 -3.520 17.461 -4.701 1.00 0.98 C ATOM 2522 CD2 TRP A 158 -2.505 16.337 -3.053 1.00 0.72 C ATOM 2523 NE1 TRP A 158 -2.548 18.276 -4.173 1.00 1.04 N ATOM 2524 CE2 TRP A 158 -1.908 17.606 -3.165 1.00 0.89 C ATOM 2525 CE3 TRP A 158 -2.028 15.450 -2.085 1.00 0.81 C ATOM 2526 CZ2 TRP A 158 -0.860 18.011 -2.343 1.00 1.01 C ATOM 2527 CZ3 TRP A 158 -0.985 15.852 -1.273 1.00 1.03 C ATOM 2528 CH2 TRP A 158 -0.411 17.122 -1.406 1.00 1.07 C ATOM 2529 OXT TRP A 158 -6.807 17.316 -3.079 1.00 1.47 O ATOM 0 H TRP A 158 -6.140 13.304 -4.469 1.00 0.45 H new ATOM 0 HA TRP A 158 -5.763 15.153 -2.594 1.00 0.54 H new ATOM 0 HB2 TRP A 158 -3.970 14.195 -3.938 1.00 0.62 H new ATOM 0 HB3 TRP A 158 -4.557 14.987 -5.386 1.00 0.62 H new ATOM 0 HD1 TRP A 158 -4.170 17.725 -5.522 1.00 0.98 H new ATOM 0 HE1 TRP A 158 -2.338 19.225 -4.482 1.00 1.04 H new ATOM 0 HE3 TRP A 158 -2.466 14.469 -1.974 1.00 0.81 H new ATOM 0 HZ2 TRP A 158 -0.418 18.991 -2.442 1.00 1.01 H new ATOM 0 HZ3 TRP A 158 -0.606 15.174 -0.522 1.00 1.03 H new ATOM 0 HH2 TRP A 158 0.403 17.405 -0.755 1.00 1.07 H new