USER MOD reduce.3.24.130724 H: found=0, std=0, add=1614, rem=0, adj=43 USER MOD reduce.3.24.130724 removed 1614 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 15 THR OG1 : rot -130:sc= 1.07 USER MOD Set 1.2: B 15 THR OG1 : rot 129:sc= 1.24 USER MOD Single : A 1 MET CE :methyl -152:sc= -3.28! (180deg=-6.71!) USER MOD Single : A 1 MET N :NH3+ -174:sc= -1.55 (180deg=-1.83) USER MOD Single : A 5 THR OG1 : rot 91:sc= -2.06! USER MOD Single : A 7 THR OG1 : rot 171:sc= -1.43! USER MOD Single : A 18 SER OG : rot 114:sc= 1.23 USER MOD Single : A 19 THR OG1 : rot -17:sc= -0.118 USER MOD Single : A 22 THR OG1 : rot -95:sc= 1.22 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 SER OG : rot -101:sc= 0.715 USER MOD Single : A 34 ASN : amide:sc= 0 K(o=0,f=-0.7) USER MOD Single : A 36 ASN : amide:sc= 0.782 K(o=0.78,f=-3.4!) USER MOD Single : A 39 LYS NZ :NH3+ 144:sc= -0.0296 (180deg=-0.629) USER MOD Single : A 43 THR OG1 : rot -130:sc= 0.84 USER MOD Single : A 44 GLN : amide:sc= -0.115 X(o=-0.12,f=-0.029) USER MOD Single : A 45 GLN : amide:sc= -8.97! C(o=-9!,f=-15!) USER MOD Single : A 48 HIS : no HE2:sc= -5.32! C(o=-5!,f=-13!) USER MOD Single : A 51 LYS NZ :NH3+ 163:sc= -0.287 (180deg=-0.29) USER MOD Single : A 55 SER OG : rot 134:sc= 0.868 USER MOD Single : A 59 LYS NZ :NH3+ 146:sc= -7.09! (180deg=-9.57!) USER MOD Single : A 60 MET CE :methyl 165:sc= -0.0756 (180deg=-0.481) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 THR OG1 : rot 73:sc= -1.39! USER MOD Single : A 66 ASN : amide:sc= -4.8 K(o=-4.8,f=-12!) USER MOD Single : A 67 GLN : amide:sc= -7.28! C(o=-7.3!,f=-4.8!) USER MOD Single : A 69 SER OG : rot -88:sc= 0.694 USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 LYS NZ :NH3+ -174:sc= -0.408! (180deg=-0.516!) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 LYS NZ :NH3+ -152:sc= -0.0988 (180deg=-1.08) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 1 MET CE :methyl 176:sc= -3.43! (180deg=-3.64!) USER MOD Single : B 1 MET N :NH3+ -171:sc= -0.85 (180deg=-1.05) USER MOD Single : B 5 THR OG1 : rot 91:sc= -2.03 USER MOD Single : B 7 THR OG1 : rot 175:sc= -1.4 USER MOD Single : B 18 SER OG : rot 80:sc= 1.27 USER MOD Single : B 19 THR OG1 : rot -17:sc= -0.206 USER MOD Single : B 22 THR OG1 : rot -109:sc= 1.23 USER MOD Single : B 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 32 SER OG : rot 145:sc= 0.363 USER MOD Single : B 34 ASN : amide:sc= 0 K(o=0,f=-0.8) USER MOD Single : B 36 ASN : amide:sc= 0.679 K(o=0.68,f=-3!) USER MOD Single : B 39 LYS NZ :NH3+ 146:sc= -0.0222 (180deg=-0.589) USER MOD Single : B 43 THR OG1 : rot -115:sc= 1.1 USER MOD Single : B 44 GLN : amide:sc= -0.196 X(o=-0.2,f=-0.099) USER MOD Single : B 45 GLN : amide:sc= -8.08! C(o=-8.1!,f=-15!) USER MOD Single : B 48 HIS : no HE2:sc= -6.14! C(o=-5.9!,f=-14!) USER MOD Single : B 51 LYS NZ :NH3+ 180:sc= -0.198 (180deg=-0.198) USER MOD Single : B 55 SER OG : rot 138:sc= 0.601 USER MOD Single : B 59 LYS NZ :NH3+ 145:sc= -6.98! (180deg=-9.41!) USER MOD Single : B 60 MET CE :methyl 164:sc= -0.0656 (180deg=-0.479) USER MOD Single : B 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 62 THR OG1 : rot 63:sc= -1.25! USER MOD Single : B 66 ASN : amide:sc= -4.99! C(o=-5!,f=-11!) USER MOD Single : B 67 GLN : amide:sc= -5.96! C(o=-6!,f=-4.5!) USER MOD Single : B 69 SER OG : rot -98:sc= 0.774 USER MOD Single : B 74 SER OG : rot 180:sc= 0 USER MOD Single : B 76 TYR OH : rot 180:sc= 0 USER MOD Single : B 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 89 LYS NZ :NH3+ -174:sc= -0.253! (180deg=-0.528!) USER MOD Single : B 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 97 LYS NZ :NH3+ -150:sc= -0.132 (180deg=-1.15) USER MOD Single : B 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -18.683 4.131 -2.891 1.00 0.64 N ATOM 2 CA MET A 1 -17.913 5.367 -3.189 1.00 0.59 C ATOM 3 C MET A 1 -16.558 5.042 -3.795 1.00 0.60 C ATOM 4 O MET A 1 -16.219 3.880 -4.015 1.00 0.61 O ATOM 5 CB MET A 1 -17.671 6.183 -1.914 1.00 0.57 C ATOM 6 CG MET A 1 -18.841 7.034 -1.403 1.00 0.61 C ATOM 7 SD MET A 1 -20.060 7.503 -2.649 1.00 0.96 S ATOM 8 CE MET A 1 -21.366 8.176 -1.625 1.00 1.17 C ATOM 0 H1 MET A 1 -19.640 4.386 -2.574 1.00 0.64 H new ATOM 0 H2 MET A 1 -18.747 3.546 -3.749 1.00 0.64 H new ATOM 0 H3 MET A 1 -18.202 3.594 -2.141 1.00 0.64 H new ATOM 0 HA MET A 1 -18.508 5.942 -3.898 1.00 0.59 H new ATOM 0 HB2 MET A 1 -17.380 5.495 -1.121 1.00 0.57 H new ATOM 0 HB3 MET A 1 -16.822 6.844 -2.090 1.00 0.57 H new ATOM 0 HG2 MET A 1 -19.349 6.484 -0.611 1.00 0.61 H new ATOM 0 HG3 MET A 1 -18.439 7.942 -0.953 1.00 0.61 H new ATOM 0 HE1 MET A 1 -22.325 8.048 -2.127 1.00 1.17 H new ATOM 0 HE2 MET A 1 -21.384 7.653 -0.669 1.00 1.17 H new ATOM 0 HE3 MET A 1 -21.185 9.237 -1.455 1.00 1.17 H new ATOM 20 N ALA A 2 -15.798 6.091 -4.090 1.00 0.62 N ATOM 21 CA ALA A 2 -14.463 5.933 -4.646 1.00 0.65 C ATOM 22 C ALA A 2 -13.401 6.409 -3.677 1.00 0.62 C ATOM 23 O ALA A 2 -13.677 7.175 -2.754 1.00 0.72 O ATOM 24 CB ALA A 2 -14.304 6.653 -5.973 1.00 0.73 C ATOM 0 H ALA A 2 -16.086 7.060 -3.953 1.00 0.62 H new ATOM 0 HA ALA A 2 -14.330 4.866 -4.822 1.00 0.65 H new ATOM 0 HB1 ALA A 2 -13.291 6.506 -6.348 1.00 0.73 H new ATOM 0 HB2 ALA A 2 -15.019 6.253 -6.692 1.00 0.73 H new ATOM 0 HB3 ALA A 2 -14.488 7.718 -5.833 1.00 0.73 H new ATOM 30 N ALA A 3 -12.185 5.950 -3.899 1.00 0.73 N ATOM 31 CA ALA A 3 -11.075 6.324 -3.055 1.00 0.76 C ATOM 32 C ALA A 3 -10.366 7.560 -3.600 1.00 0.66 C ATOM 33 O ALA A 3 -9.331 7.461 -4.258 1.00 0.81 O ATOM 34 CB ALA A 3 -10.119 5.154 -2.922 1.00 1.06 C ATOM 0 H ALA A 3 -11.943 5.315 -4.660 1.00 0.73 H new ATOM 0 HA ALA A 3 -11.453 6.579 -2.065 1.00 0.76 H new ATOM 0 HB1 ALA A 3 -9.282 5.439 -2.285 1.00 1.06 H new ATOM 0 HB2 ALA A 3 -10.641 4.306 -2.478 1.00 1.06 H new ATOM 0 HB3 ALA A 3 -9.746 4.875 -3.907 1.00 1.06 H new ATOM 40 N GLU A 4 -10.945 8.726 -3.321 1.00 0.63 N ATOM 41 CA GLU A 4 -10.367 9.999 -3.774 1.00 0.75 C ATOM 42 C GLU A 4 -9.046 10.258 -3.058 1.00 0.74 C ATOM 43 O GLU A 4 -7.994 9.855 -3.549 1.00 0.85 O ATOM 44 CB GLU A 4 -11.331 11.193 -3.589 1.00 0.97 C ATOM 45 CG GLU A 4 -12.538 10.937 -2.696 1.00 1.44 C ATOM 46 CD GLU A 4 -12.151 10.487 -1.306 1.00 2.42 C ATOM 47 OE1 GLU A 4 -11.634 11.320 -0.536 1.00 3.03 O ATOM 48 OE2 GLU A 4 -12.341 9.293 -1.002 1.00 3.20 O ATOM 0 H GLU A 4 -11.809 8.821 -2.787 1.00 0.63 H new ATOM 0 HA GLU A 4 -10.187 9.908 -4.845 1.00 0.75 H new ATOM 0 HB2 GLU A 4 -10.768 12.030 -3.176 1.00 0.97 H new ATOM 0 HB3 GLU A 4 -11.688 11.503 -4.571 1.00 0.97 H new ATOM 0 HG2 GLU A 4 -13.133 11.848 -2.626 1.00 1.44 H new ATOM 0 HG3 GLU A 4 -13.171 10.178 -3.156 1.00 1.44 H new ATOM 55 N THR A 5 -9.084 10.927 -1.912 1.00 0.69 N ATOM 56 CA THR A 5 -7.868 11.188 -1.156 1.00 0.74 C ATOM 57 C THR A 5 -7.307 9.885 -0.555 1.00 0.61 C ATOM 58 O THR A 5 -7.505 8.811 -1.123 1.00 0.78 O ATOM 59 CB THR A 5 -8.125 12.216 -0.044 1.00 0.93 C ATOM 60 OG1 THR A 5 -9.121 13.156 -0.466 1.00 1.43 O ATOM 61 CG2 THR A 5 -6.839 12.952 0.312 1.00 1.09 C ATOM 0 H THR A 5 -9.936 11.295 -1.490 1.00 0.69 H new ATOM 0 HA THR A 5 -7.129 11.600 -1.844 1.00 0.74 H new ATOM 0 HB THR A 5 -8.481 11.687 0.840 1.00 0.93 H new ATOM 0 HG1 THR A 5 -10.008 12.834 -0.200 1.00 1.43 H new ATOM 0 HG21 THR A 5 -7.041 13.676 1.101 1.00 1.09 H new ATOM 0 HG22 THR A 5 -6.094 12.236 0.658 1.00 1.09 H new ATOM 0 HG23 THR A 5 -6.461 13.471 -0.569 1.00 1.09 H new ATOM 69 N LEU A 6 -6.631 9.966 0.600 1.00 0.54 N ATOM 70 CA LEU A 6 -6.051 8.794 1.228 1.00 0.50 C ATOM 71 C LEU A 6 -7.113 8.025 1.971 1.00 0.49 C ATOM 72 O LEU A 6 -7.761 8.566 2.865 1.00 0.56 O ATOM 73 CB LEU A 6 -4.978 9.158 2.263 1.00 0.61 C ATOM 74 CG LEU A 6 -3.864 10.121 1.844 1.00 0.75 C ATOM 75 CD1 LEU A 6 -4.385 11.538 1.663 1.00 1.15 C ATOM 76 CD2 LEU A 6 -2.769 10.114 2.895 1.00 1.07 C ATOM 0 H LEU A 6 -6.478 10.836 1.110 1.00 0.54 H new ATOM 0 HA LEU A 6 -5.607 8.208 0.423 1.00 0.50 H new ATOM 0 HB2 LEU A 6 -5.483 9.589 3.128 1.00 0.61 H new ATOM 0 HB3 LEU A 6 -4.509 8.232 2.596 1.00 0.61 H new ATOM 0 HG LEU A 6 -3.469 9.784 0.886 1.00 0.75 H new ATOM 0 HD11 LEU A 6 -3.565 12.192 1.366 1.00 1.15 H new ATOM 0 HD12 LEU A 6 -5.154 11.547 0.891 1.00 1.15 H new ATOM 0 HD13 LEU A 6 -4.809 11.892 2.602 1.00 1.15 H new ATOM 0 HD21 LEU A 6 -1.975 10.799 2.598 1.00 1.07 H new ATOM 0 HD22 LEU A 6 -3.182 10.430 3.853 1.00 1.07 H new ATOM 0 HD23 LEU A 6 -2.362 9.107 2.990 1.00 1.07 H new ATOM 88 N THR A 7 -7.302 6.773 1.628 1.00 0.50 N ATOM 89 CA THR A 7 -8.267 5.986 2.347 1.00 0.54 C ATOM 90 C THR A 7 -7.759 5.778 3.754 1.00 0.48 C ATOM 91 O THR A 7 -6.593 6.041 4.029 1.00 0.54 O ATOM 92 CB THR A 7 -8.531 4.623 1.677 1.00 0.62 C ATOM 93 OG1 THR A 7 -7.302 4.069 1.195 1.00 0.85 O ATOM 94 CG2 THR A 7 -9.513 4.756 0.525 1.00 0.83 C ATOM 0 H THR A 7 -6.813 6.289 0.875 1.00 0.50 H new ATOM 0 HA THR A 7 -9.215 6.524 2.350 1.00 0.54 H new ATOM 0 HB THR A 7 -8.966 3.960 2.425 1.00 0.62 H new ATOM 0 HG1 THR A 7 -7.452 3.146 0.903 1.00 0.85 H new ATOM 0 HG21 THR A 7 -9.678 3.778 0.073 1.00 0.83 H new ATOM 0 HG22 THR A 7 -10.459 5.149 0.897 1.00 0.83 H new ATOM 0 HG23 THR A 7 -9.107 5.437 -0.223 1.00 0.83 H new ATOM 102 N GLU A 8 -8.620 5.300 4.648 1.00 0.45 N ATOM 103 CA GLU A 8 -8.228 5.061 6.044 1.00 0.44 C ATOM 104 C GLU A 8 -6.830 4.447 6.125 1.00 0.41 C ATOM 105 O GLU A 8 -6.110 4.622 7.107 1.00 0.42 O ATOM 106 CB GLU A 8 -9.230 4.146 6.741 1.00 0.50 C ATOM 107 CG GLU A 8 -10.676 4.440 6.385 1.00 0.52 C ATOM 108 CD GLU A 8 -11.660 3.743 7.303 1.00 1.09 C ATOM 109 OE1 GLU A 8 -11.436 3.753 8.532 1.00 1.67 O ATOM 110 OE2 GLU A 8 -12.654 3.185 6.794 1.00 1.94 O ATOM 0 H GLU A 8 -9.591 5.070 4.437 1.00 0.45 H new ATOM 0 HA GLU A 8 -8.217 6.026 6.550 1.00 0.44 H new ATOM 0 HB2 GLU A 8 -9.005 3.111 6.482 1.00 0.50 H new ATOM 0 HB3 GLU A 8 -9.105 4.239 7.820 1.00 0.50 H new ATOM 0 HG2 GLU A 8 -10.845 5.516 6.429 1.00 0.52 H new ATOM 0 HG3 GLU A 8 -10.863 4.130 5.357 1.00 0.52 H new ATOM 117 N LEU A 9 -6.469 3.731 5.070 1.00 0.41 N ATOM 118 CA LEU A 9 -5.176 3.093 4.962 1.00 0.40 C ATOM 119 C LEU A 9 -4.056 4.082 5.255 1.00 0.38 C ATOM 120 O LEU A 9 -2.954 3.688 5.627 1.00 0.39 O ATOM 121 CB LEU A 9 -5.034 2.532 3.554 1.00 0.45 C ATOM 122 CG LEU A 9 -6.282 1.827 3.017 1.00 0.57 C ATOM 123 CD1 LEU A 9 -5.961 1.031 1.772 1.00 0.93 C ATOM 124 CD2 LEU A 9 -6.923 0.960 4.089 1.00 0.92 C ATOM 0 H LEU A 9 -7.073 3.579 4.262 1.00 0.41 H new ATOM 0 HA LEU A 9 -5.103 2.289 5.694 1.00 0.40 H new ATOM 0 HB2 LEU A 9 -4.774 3.346 2.878 1.00 0.45 H new ATOM 0 HB3 LEU A 9 -4.202 1.828 3.540 1.00 0.45 H new ATOM 0 HG LEU A 9 -7.009 2.590 2.738 1.00 0.57 H new ATOM 0 HD11 LEU A 9 -6.865 0.540 1.411 1.00 0.93 H new ATOM 0 HD12 LEU A 9 -5.579 1.700 1.001 1.00 0.93 H new ATOM 0 HD13 LEU A 9 -5.208 0.278 2.005 1.00 0.93 H new ATOM 0 HD21 LEU A 9 -7.807 0.471 3.681 1.00 0.92 H new ATOM 0 HD22 LEU A 9 -6.211 0.204 4.420 1.00 0.92 H new ATOM 0 HD23 LEU A 9 -7.211 1.582 4.936 1.00 0.92 H new ATOM 136 N GLU A 10 -4.335 5.374 5.072 1.00 0.38 N ATOM 137 CA GLU A 10 -3.344 6.408 5.363 1.00 0.39 C ATOM 138 C GLU A 10 -2.799 6.189 6.763 1.00 0.38 C ATOM 139 O GLU A 10 -1.622 6.406 7.033 1.00 0.40 O ATOM 140 CB GLU A 10 -3.945 7.806 5.247 1.00 0.46 C ATOM 141 CG GLU A 10 -5.424 7.882 5.570 1.00 0.45 C ATOM 142 CD GLU A 10 -5.763 9.044 6.482 1.00 0.56 C ATOM 143 OE1 GLU A 10 -5.998 10.156 5.964 1.00 1.16 O ATOM 144 OE2 GLU A 10 -5.791 8.844 7.714 1.00 1.27 O ATOM 0 H GLU A 10 -5.229 5.725 4.728 1.00 0.38 H new ATOM 0 HA GLU A 10 -2.539 6.335 4.632 1.00 0.39 H new ATOM 0 HB2 GLU A 10 -3.405 8.477 5.915 1.00 0.46 H new ATOM 0 HB3 GLU A 10 -3.788 8.172 4.232 1.00 0.46 H new ATOM 0 HG2 GLU A 10 -5.990 7.975 4.643 1.00 0.45 H new ATOM 0 HG3 GLU A 10 -5.737 6.951 6.042 1.00 0.45 H new ATOM 151 N ALA A 11 -3.683 5.750 7.650 1.00 0.39 N ATOM 152 CA ALA A 11 -3.292 5.447 9.019 1.00 0.39 C ATOM 153 C ALA A 11 -2.238 4.359 8.995 1.00 0.36 C ATOM 154 O ALA A 11 -1.299 4.358 9.792 1.00 0.39 O ATOM 155 CB ALA A 11 -4.493 5.009 9.844 1.00 0.42 C ATOM 0 H ALA A 11 -4.671 5.597 7.447 1.00 0.39 H new ATOM 0 HA ALA A 11 -2.885 6.344 9.485 1.00 0.39 H new ATOM 0 HB1 ALA A 11 -4.174 4.789 10.863 1.00 0.42 H new ATOM 0 HB2 ALA A 11 -5.234 5.808 9.861 1.00 0.42 H new ATOM 0 HB3 ALA A 11 -4.933 4.116 9.400 1.00 0.42 H new ATOM 161 N ALA A 12 -2.409 3.429 8.063 1.00 0.33 N ATOM 162 CA ALA A 12 -1.461 2.345 7.888 1.00 0.33 C ATOM 163 C ALA A 12 -0.125 2.909 7.440 1.00 0.33 C ATOM 164 O ALA A 12 0.923 2.310 7.677 1.00 0.34 O ATOM 165 CB ALA A 12 -1.982 1.328 6.884 1.00 0.34 C ATOM 0 H ALA A 12 -3.198 3.407 7.417 1.00 0.33 H new ATOM 0 HA ALA A 12 -1.329 1.831 8.840 1.00 0.33 H new ATOM 0 HB1 ALA A 12 -1.254 0.525 6.769 1.00 0.34 H new ATOM 0 HB2 ALA A 12 -2.925 0.915 7.241 1.00 0.34 H new ATOM 0 HB3 ALA A 12 -2.140 1.815 5.922 1.00 0.34 H new ATOM 171 N ILE A 13 -0.164 4.079 6.792 1.00 0.36 N ATOM 172 CA ILE A 13 1.055 4.724 6.336 1.00 0.40 C ATOM 173 C ILE A 13 2.039 4.843 7.503 1.00 0.39 C ATOM 174 O ILE A 13 3.252 4.868 7.313 1.00 0.42 O ATOM 175 CB ILE A 13 0.771 6.118 5.693 1.00 0.47 C ATOM 176 CG1 ILE A 13 1.734 6.362 4.526 1.00 0.90 C ATOM 177 CG2 ILE A 13 0.866 7.265 6.702 1.00 0.99 C ATOM 178 CD1 ILE A 13 3.173 6.550 4.955 1.00 2.05 C ATOM 0 H ILE A 13 -1.021 4.588 6.577 1.00 0.36 H new ATOM 0 HA ILE A 13 1.499 4.106 5.556 1.00 0.40 H new ATOM 0 HB ILE A 13 -0.256 6.100 5.328 1.00 0.47 H new ATOM 0 HG12 ILE A 13 1.677 5.520 3.837 1.00 0.90 H new ATOM 0 HG13 ILE A 13 1.409 7.246 3.977 1.00 0.90 H new ATOM 0 HG21 ILE A 13 0.659 8.210 6.199 1.00 0.99 H new ATOM 0 HG22 ILE A 13 0.138 7.111 7.498 1.00 0.99 H new ATOM 0 HG23 ILE A 13 1.869 7.293 7.128 1.00 0.99 H new ATOM 0 HD11 ILE A 13 3.796 6.718 4.076 1.00 2.05 H new ATOM 0 HD12 ILE A 13 3.245 7.410 5.620 1.00 2.05 H new ATOM 0 HD13 ILE A 13 3.516 5.657 5.478 1.00 2.05 H new ATOM 190 N GLU A 14 1.481 4.912 8.715 1.00 0.39 N ATOM 191 CA GLU A 14 2.270 5.025 9.932 1.00 0.42 C ATOM 192 C GLU A 14 3.087 3.762 10.176 1.00 0.38 C ATOM 193 O GLU A 14 4.208 3.830 10.681 1.00 0.46 O ATOM 194 CB GLU A 14 1.360 5.296 11.130 1.00 0.46 C ATOM 195 CG GLU A 14 0.513 6.549 10.979 1.00 0.79 C ATOM 196 CD GLU A 14 -0.407 6.778 12.160 1.00 1.46 C ATOM 197 OE1 GLU A 14 0.028 7.425 13.136 1.00 2.02 O ATOM 198 OE2 GLU A 14 -1.565 6.312 12.111 1.00 2.25 O ATOM 0 H GLU A 14 0.474 4.891 8.874 1.00 0.39 H new ATOM 0 HA GLU A 14 2.959 5.860 9.809 1.00 0.42 H new ATOM 0 HB2 GLU A 14 0.703 4.439 11.278 1.00 0.46 H new ATOM 0 HB3 GLU A 14 1.972 5.387 12.027 1.00 0.46 H new ATOM 0 HG2 GLU A 14 1.167 7.413 10.860 1.00 0.79 H new ATOM 0 HG3 GLU A 14 -0.082 6.473 10.069 1.00 0.79 H new ATOM 205 N THR A 15 2.527 2.604 9.831 1.00 0.30 N ATOM 206 CA THR A 15 3.251 1.352 10.014 1.00 0.28 C ATOM 207 C THR A 15 4.301 1.191 8.925 1.00 0.29 C ATOM 208 O THR A 15 5.500 1.216 9.191 1.00 0.35 O ATOM 209 CB THR A 15 2.326 0.121 9.989 1.00 0.28 C ATOM 210 OG1 THR A 15 1.248 0.284 10.917 1.00 0.29 O ATOM 211 CG2 THR A 15 3.108 -1.137 10.336 1.00 0.32 C ATOM 0 H THR A 15 1.593 2.508 9.431 1.00 0.30 H new ATOM 0 HA THR A 15 3.718 1.405 10.998 1.00 0.28 H new ATOM 0 HB THR A 15 1.918 0.024 8.983 1.00 0.28 H new ATOM 0 HG1 THR A 15 1.177 -0.515 11.480 1.00 0.29 H new ATOM 0 HG21 THR A 15 2.440 -1.998 10.314 1.00 0.32 H new ATOM 0 HG22 THR A 15 3.908 -1.280 9.610 1.00 0.32 H new ATOM 0 HG23 THR A 15 3.537 -1.036 11.333 1.00 0.32 H new ATOM 219 N VAL A 16 3.833 1.040 7.693 1.00 0.27 N ATOM 220 CA VAL A 16 4.711 0.880 6.541 1.00 0.28 C ATOM 221 C VAL A 16 5.870 1.878 6.573 1.00 0.30 C ATOM 222 O VAL A 16 6.997 1.538 6.211 1.00 0.36 O ATOM 223 CB VAL A 16 3.903 1.048 5.240 1.00 0.30 C ATOM 224 CG1 VAL A 16 3.115 2.339 5.282 1.00 0.33 C ATOM 225 CG2 VAL A 16 4.794 1.020 4.004 1.00 0.33 C ATOM 0 H VAL A 16 2.839 1.025 7.464 1.00 0.27 H new ATOM 0 HA VAL A 16 5.136 -0.123 6.579 1.00 0.28 H new ATOM 0 HB VAL A 16 3.218 0.203 5.169 1.00 0.30 H new ATOM 0 HG11 VAL A 16 2.547 2.449 4.358 1.00 0.33 H new ATOM 0 HG12 VAL A 16 2.429 2.319 6.129 1.00 0.33 H new ATOM 0 HG13 VAL A 16 3.800 3.180 5.389 1.00 0.33 H new ATOM 0 HG21 VAL A 16 4.181 1.142 3.111 1.00 0.33 H new ATOM 0 HG22 VAL A 16 5.519 1.832 4.060 1.00 0.33 H new ATOM 0 HG23 VAL A 16 5.320 0.066 3.956 1.00 0.33 H new ATOM 235 N VAL A 17 5.596 3.101 7.004 1.00 0.31 N ATOM 236 CA VAL A 17 6.632 4.121 7.084 1.00 0.33 C ATOM 237 C VAL A 17 7.569 3.818 8.258 1.00 0.30 C ATOM 238 O VAL A 17 8.779 4.027 8.188 1.00 0.32 O ATOM 239 CB VAL A 17 6.036 5.537 7.258 1.00 0.43 C ATOM 240 CG1 VAL A 17 5.413 5.707 8.635 1.00 0.45 C ATOM 241 CG2 VAL A 17 7.101 6.594 7.014 1.00 0.50 C ATOM 0 H VAL A 17 4.671 3.410 7.302 1.00 0.31 H new ATOM 0 HA VAL A 17 7.185 4.101 6.145 1.00 0.33 H new ATOM 0 HB VAL A 17 5.245 5.664 6.519 1.00 0.43 H new ATOM 0 HG11 VAL A 17 5.003 6.713 8.727 1.00 0.45 H new ATOM 0 HG12 VAL A 17 4.615 4.976 8.766 1.00 0.45 H new ATOM 0 HG13 VAL A 17 6.174 5.554 9.400 1.00 0.45 H new ATOM 0 HG21 VAL A 17 6.666 7.585 7.140 1.00 0.50 H new ATOM 0 HG22 VAL A 17 7.915 6.462 7.727 1.00 0.50 H new ATOM 0 HG23 VAL A 17 7.487 6.494 6.000 1.00 0.50 H new ATOM 251 N SER A 18 6.980 3.341 9.351 1.00 0.33 N ATOM 252 CA SER A 18 7.736 3.004 10.554 1.00 0.40 C ATOM 253 C SER A 18 8.368 1.611 10.470 1.00 0.44 C ATOM 254 O SER A 18 9.146 1.230 11.340 1.00 0.59 O ATOM 255 CB SER A 18 6.833 3.087 11.785 1.00 0.51 C ATOM 256 OG SER A 18 6.320 4.397 11.956 1.00 1.32 O ATOM 0 H SER A 18 5.976 3.178 9.428 1.00 0.33 H new ATOM 0 HA SER A 18 8.545 3.730 10.639 1.00 0.40 H new ATOM 0 HB2 SER A 18 6.009 2.381 11.683 1.00 0.51 H new ATOM 0 HB3 SER A 18 7.395 2.795 12.672 1.00 0.51 H new ATOM 0 HG SER A 18 5.349 4.388 11.822 1.00 1.32 H new ATOM 262 N THR A 19 7.965 0.820 9.483 1.00 0.37 N ATOM 263 CA THR A 19 8.524 -0.522 9.317 1.00 0.44 C ATOM 264 C THR A 19 9.814 -0.540 8.496 1.00 0.46 C ATOM 265 O THR A 19 10.916 -0.490 9.042 1.00 0.54 O ATOM 266 CB THR A 19 7.513 -1.509 8.695 1.00 0.45 C ATOM 267 OG1 THR A 19 7.054 -1.032 7.424 1.00 0.42 O ATOM 268 CG2 THR A 19 6.326 -1.728 9.624 1.00 0.49 C ATOM 0 H THR A 19 7.261 1.078 8.791 1.00 0.37 H new ATOM 0 HA THR A 19 8.761 -0.848 10.330 1.00 0.44 H new ATOM 0 HB THR A 19 8.024 -2.461 8.550 1.00 0.45 H new ATOM 0 HG1 THR A 19 7.259 -0.077 7.339 1.00 0.42 H new ATOM 0 HG21 THR A 19 5.628 -2.427 9.164 1.00 0.49 H new ATOM 0 HG22 THR A 19 6.676 -2.136 10.572 1.00 0.49 H new ATOM 0 HG23 THR A 19 5.823 -0.777 9.802 1.00 0.49 H new ATOM 276 N PHE A 20 9.656 -0.606 7.177 1.00 0.45 N ATOM 277 CA PHE A 20 10.782 -0.677 6.257 1.00 0.54 C ATOM 278 C PHE A 20 11.360 0.684 6.009 1.00 0.52 C ATOM 279 O PHE A 20 12.573 0.854 6.042 1.00 0.64 O ATOM 280 CB PHE A 20 10.359 -1.300 4.922 1.00 0.60 C ATOM 281 CG PHE A 20 11.420 -1.232 3.860 1.00 0.72 C ATOM 282 CD1 PHE A 20 12.763 -1.236 4.205 1.00 1.26 C ATOM 283 CD2 PHE A 20 11.075 -1.150 2.521 1.00 1.60 C ATOM 284 CE1 PHE A 20 13.741 -1.162 3.236 1.00 1.37 C ATOM 285 CE2 PHE A 20 12.049 -1.078 1.547 1.00 1.77 C ATOM 286 CZ PHE A 20 13.382 -1.085 1.905 1.00 1.18 C ATOM 0 H PHE A 20 8.745 -0.612 6.719 1.00 0.45 H new ATOM 0 HA PHE A 20 11.542 -1.307 6.720 1.00 0.54 H new ATOM 0 HB2 PHE A 20 10.089 -2.343 5.087 1.00 0.60 H new ATOM 0 HB3 PHE A 20 9.464 -0.793 4.562 1.00 0.60 H new ATOM 0 HD1 PHE A 20 13.046 -1.298 5.245 1.00 1.26 H new ATOM 0 HD2 PHE A 20 10.033 -1.142 2.237 1.00 1.60 H new ATOM 0 HE1 PHE A 20 14.784 -1.164 3.517 1.00 1.37 H new ATOM 0 HE2 PHE A 20 11.769 -1.016 0.506 1.00 1.77 H new ATOM 0 HZ PHE A 20 14.145 -1.030 1.143 1.00 1.18 H new ATOM 296 N PHE A 21 10.481 1.660 5.825 1.00 0.44 N ATOM 297 CA PHE A 21 10.904 3.019 5.549 1.00 0.47 C ATOM 298 C PHE A 21 11.764 3.549 6.674 1.00 0.49 C ATOM 299 O PHE A 21 12.275 4.659 6.631 1.00 0.62 O ATOM 300 CB PHE A 21 9.692 3.891 5.218 1.00 0.48 C ATOM 301 CG PHE A 21 8.857 3.319 4.083 1.00 0.45 C ATOM 302 CD1 PHE A 21 9.306 2.213 3.357 1.00 1.39 C ATOM 303 CD2 PHE A 21 7.618 3.862 3.752 1.00 1.16 C ATOM 304 CE1 PHE A 21 8.539 1.673 2.342 1.00 1.44 C ATOM 305 CE2 PHE A 21 6.855 3.322 2.732 1.00 1.13 C ATOM 306 CZ PHE A 21 7.314 2.227 2.032 1.00 0.54 C ATOM 0 H PHE A 21 9.470 1.532 5.863 1.00 0.44 H new ATOM 0 HA PHE A 21 11.540 3.040 4.664 1.00 0.47 H new ATOM 0 HB2 PHE A 21 9.069 3.995 6.107 1.00 0.48 H new ATOM 0 HB3 PHE A 21 10.031 4.891 4.948 1.00 0.48 H new ATOM 0 HD1 PHE A 21 10.265 1.774 3.592 1.00 1.39 H new ATOM 0 HD2 PHE A 21 7.248 4.716 4.299 1.00 1.16 H new ATOM 0 HE1 PHE A 21 8.899 0.817 1.791 1.00 1.44 H new ATOM 0 HE2 PHE A 21 5.899 3.759 2.484 1.00 1.13 H new ATOM 0 HZ PHE A 21 6.714 1.802 1.240 1.00 0.54 H new ATOM 316 N THR A 22 11.891 2.775 7.726 1.00 0.47 N ATOM 317 CA THR A 22 12.837 3.143 8.743 1.00 0.54 C ATOM 318 C THR A 22 14.247 3.101 8.133 1.00 0.49 C ATOM 319 O THR A 22 15.197 3.623 8.716 1.00 0.54 O ATOM 320 CB THR A 22 12.774 2.194 9.937 1.00 0.66 C ATOM 321 OG1 THR A 22 13.080 0.876 9.508 1.00 0.66 O ATOM 322 CG2 THR A 22 11.402 2.236 10.564 1.00 0.81 C ATOM 0 H THR A 22 11.369 1.915 7.895 1.00 0.47 H new ATOM 0 HA THR A 22 12.596 4.144 9.100 1.00 0.54 H new ATOM 0 HB THR A 22 13.503 2.506 10.685 1.00 0.66 H new ATOM 0 HG1 THR A 22 12.249 0.395 9.311 1.00 0.66 H new ATOM 0 HG21 THR A 22 11.370 1.555 11.414 1.00 0.81 H new ATOM 0 HG22 THR A 22 11.188 3.250 10.902 1.00 0.81 H new ATOM 0 HG23 THR A 22 10.656 1.934 9.829 1.00 0.81 H new ATOM 330 N PHE A 23 14.378 2.466 6.938 1.00 0.49 N ATOM 331 CA PHE A 23 15.686 2.350 6.285 1.00 0.51 C ATOM 332 C PHE A 23 16.239 3.689 5.783 1.00 0.44 C ATOM 333 O PHE A 23 17.437 3.799 5.530 1.00 0.45 O ATOM 334 CB PHE A 23 15.710 1.241 5.202 1.00 0.68 C ATOM 335 CG PHE A 23 14.996 1.486 3.886 1.00 0.61 C ATOM 336 CD1 PHE A 23 13.709 1.978 3.842 1.00 1.46 C ATOM 337 CD2 PHE A 23 15.604 1.133 2.683 1.00 1.47 C ATOM 338 CE1 PHE A 23 13.041 2.123 2.644 1.00 1.93 C ATOM 339 CE2 PHE A 23 14.944 1.291 1.479 1.00 1.88 C ATOM 340 CZ PHE A 23 13.658 1.784 1.459 1.00 1.82 C ATOM 0 H PHE A 23 13.606 2.039 6.426 1.00 0.49 H new ATOM 0 HA PHE A 23 16.378 2.032 7.065 1.00 0.51 H new ATOM 0 HB2 PHE A 23 16.754 1.024 4.975 1.00 0.68 H new ATOM 0 HB3 PHE A 23 15.286 0.339 5.644 1.00 0.68 H new ATOM 0 HD1 PHE A 23 13.215 2.255 4.762 1.00 1.46 H new ATOM 0 HD2 PHE A 23 16.606 0.730 2.692 1.00 1.47 H new ATOM 0 HE1 PHE A 23 12.030 2.504 2.634 1.00 1.93 H new ATOM 0 HE2 PHE A 23 15.436 1.028 0.554 1.00 1.88 H new ATOM 0 HZ PHE A 23 13.137 1.904 0.521 1.00 1.82 H new ATOM 350 N ALA A 24 15.389 4.708 5.633 1.00 0.50 N ATOM 351 CA ALA A 24 15.871 6.034 5.236 1.00 0.58 C ATOM 352 C ALA A 24 16.991 6.478 6.161 1.00 0.60 C ATOM 353 O ALA A 24 17.820 7.315 5.800 1.00 0.65 O ATOM 354 CB ALA A 24 14.743 7.053 5.282 1.00 0.71 C ATOM 0 H ALA A 24 14.381 4.644 5.777 1.00 0.50 H new ATOM 0 HA ALA A 24 16.245 5.969 4.214 1.00 0.58 H new ATOM 0 HB1 ALA A 24 15.123 8.030 4.984 1.00 0.71 H new ATOM 0 HB2 ALA A 24 13.949 6.748 4.600 1.00 0.71 H new ATOM 0 HB3 ALA A 24 14.347 7.112 6.296 1.00 0.71 H new ATOM 360 N GLY A 25 17.000 5.909 7.363 1.00 0.68 N ATOM 361 CA GLY A 25 18.017 6.231 8.351 1.00 0.81 C ATOM 362 C GLY A 25 19.403 6.410 7.746 1.00 0.71 C ATOM 363 O GLY A 25 20.219 7.171 8.266 1.00 0.80 O ATOM 0 H GLY A 25 16.313 5.222 7.674 1.00 0.68 H new ATOM 0 HA2 GLY A 25 17.733 7.146 8.871 1.00 0.81 H new ATOM 0 HA3 GLY A 25 18.053 5.438 9.098 1.00 0.81 H new ATOM 367 N ARG A 26 19.665 5.710 6.646 1.00 0.60 N ATOM 368 CA ARG A 26 20.950 5.814 5.960 1.00 0.59 C ATOM 369 C ARG A 26 21.212 7.256 5.551 1.00 0.57 C ATOM 370 O ARG A 26 22.222 7.853 5.923 1.00 0.71 O ATOM 371 CB ARG A 26 20.954 4.926 4.715 1.00 0.61 C ATOM 372 CG ARG A 26 22.339 4.464 4.293 1.00 1.17 C ATOM 373 CD ARG A 26 22.850 3.359 5.199 1.00 0.97 C ATOM 374 NE ARG A 26 24.105 2.790 4.713 1.00 1.55 N ATOM 375 CZ ARG A 26 25.304 3.304 4.976 1.00 1.95 C ATOM 376 NH1 ARG A 26 25.414 4.406 5.708 1.00 2.01 N ATOM 377 NH2 ARG A 26 26.394 2.718 4.501 1.00 2.82 N ATOM 0 H ARG A 26 19.006 5.065 6.211 1.00 0.60 H new ATOM 0 HA ARG A 26 21.734 5.485 6.642 1.00 0.59 H new ATOM 0 HB2 ARG A 26 20.331 4.051 4.903 1.00 0.61 H new ATOM 0 HB3 ARG A 26 20.497 5.472 3.890 1.00 0.61 H new ATOM 0 HG2 ARG A 26 22.308 4.108 3.263 1.00 1.17 H new ATOM 0 HG3 ARG A 26 23.030 5.307 4.318 1.00 1.17 H new ATOM 0 HD2 ARG A 26 22.996 3.753 6.205 1.00 0.97 H new ATOM 0 HD3 ARG A 26 22.099 2.572 5.271 1.00 0.97 H new ATOM 0 HE ARG A 26 24.059 1.949 4.138 1.00 1.55 H new ATOM 0 HH11 ARG A 26 24.577 4.862 6.071 1.00 2.01 H new ATOM 0 HH12 ARG A 26 26.335 4.796 5.907 1.00 2.01 H new ATOM 0 HH21 ARG A 26 26.313 1.874 3.934 1.00 2.82 H new ATOM 0 HH22 ARG A 26 27.313 3.111 4.702 1.00 2.82 H new ATOM 391 N GLU A 27 20.282 7.805 4.781 1.00 0.50 N ATOM 392 CA GLU A 27 20.380 9.177 4.305 1.00 0.58 C ATOM 393 C GLU A 27 18.989 9.769 4.130 1.00 0.80 C ATOM 394 O GLU A 27 18.336 9.556 3.107 1.00 1.27 O ATOM 395 CB GLU A 27 21.151 9.233 2.982 1.00 0.98 C ATOM 396 CG GLU A 27 20.632 8.266 1.927 1.00 0.85 C ATOM 397 CD GLU A 27 21.460 8.293 0.656 1.00 1.09 C ATOM 398 OE1 GLU A 27 22.534 7.656 0.635 1.00 1.63 O ATOM 399 OE2 GLU A 27 21.034 8.952 -0.316 1.00 1.78 O ATOM 0 H GLU A 27 19.443 7.315 4.471 1.00 0.50 H new ATOM 0 HA GLU A 27 20.923 9.764 5.045 1.00 0.58 H new ATOM 0 HB2 GLU A 27 21.103 10.248 2.587 1.00 0.98 H new ATOM 0 HB3 GLU A 27 22.202 9.016 3.175 1.00 0.98 H new ATOM 0 HG2 GLU A 27 20.631 7.255 2.335 1.00 0.85 H new ATOM 0 HG3 GLU A 27 19.598 8.515 1.688 1.00 0.85 H new ATOM 406 N GLY A 28 18.531 10.506 5.135 1.00 1.33 N ATOM 407 CA GLY A 28 17.212 11.097 5.064 1.00 1.88 C ATOM 408 C GLY A 28 17.152 12.499 5.622 1.00 1.36 C ATOM 409 O GLY A 28 16.544 12.732 6.666 1.00 1.58 O ATOM 0 H GLY A 28 19.047 10.703 5.992 1.00 1.33 H new ATOM 0 HA2 GLY A 28 16.885 11.113 4.024 1.00 1.88 H new ATOM 0 HA3 GLY A 28 16.510 10.467 5.609 1.00 1.88 H new ATOM 413 N ARG A 29 17.781 13.438 4.929 1.00 1.16 N ATOM 414 CA ARG A 29 17.765 14.824 5.362 1.00 1.06 C ATOM 415 C ARG A 29 16.440 15.464 4.966 1.00 1.13 C ATOM 416 O ARG A 29 15.502 15.520 5.761 1.00 1.73 O ATOM 417 CB ARG A 29 18.939 15.598 4.751 1.00 1.38 C ATOM 418 CG ARG A 29 18.839 17.106 4.928 1.00 1.78 C ATOM 419 CD ARG A 29 19.835 17.839 4.043 1.00 2.37 C ATOM 420 NE ARG A 29 19.736 19.288 4.194 1.00 2.89 N ATOM 421 CZ ARG A 29 20.480 20.152 3.512 1.00 3.59 C ATOM 422 NH1 ARG A 29 21.373 19.713 2.635 1.00 3.91 N ATOM 423 NH2 ARG A 29 20.330 21.455 3.705 1.00 4.31 N ATOM 0 H ARG A 29 18.305 13.265 4.071 1.00 1.16 H new ATOM 0 HA ARG A 29 17.870 14.858 6.446 1.00 1.06 H new ATOM 0 HB2 ARG A 29 19.867 15.249 5.204 1.00 1.38 H new ATOM 0 HB3 ARG A 29 18.998 15.370 3.687 1.00 1.38 H new ATOM 0 HG2 ARG A 29 17.828 17.435 4.689 1.00 1.78 H new ATOM 0 HG3 ARG A 29 19.020 17.364 5.972 1.00 1.78 H new ATOM 0 HD2 ARG A 29 20.846 17.517 4.291 1.00 2.37 H new ATOM 0 HD3 ARG A 29 19.661 17.570 3.001 1.00 2.37 H new ATOM 0 HE ARG A 29 19.058 19.657 4.860 1.00 2.89 H new ATOM 0 HH11 ARG A 29 21.489 18.711 2.484 1.00 3.91 H new ATOM 0 HH12 ARG A 29 21.944 20.377 2.112 1.00 3.91 H new ATOM 0 HH21 ARG A 29 19.643 21.795 4.378 1.00 4.31 H new ATOM 0 HH22 ARG A 29 20.902 22.117 3.181 1.00 4.31 H new ATOM 437 N LYS A 30 16.371 15.945 3.730 1.00 1.04 N ATOM 438 CA LYS A 30 15.155 16.558 3.216 1.00 1.47 C ATOM 439 C LYS A 30 14.743 15.943 1.876 1.00 1.32 C ATOM 440 O LYS A 30 13.647 16.205 1.384 1.00 1.64 O ATOM 441 CB LYS A 30 15.337 18.070 3.070 1.00 2.03 C ATOM 442 CG LYS A 30 15.407 18.803 4.400 1.00 2.65 C ATOM 443 CD LYS A 30 15.728 20.275 4.207 1.00 3.51 C ATOM 444 CE LYS A 30 15.803 21.007 5.537 1.00 4.01 C ATOM 445 NZ LYS A 30 16.158 22.442 5.361 1.00 4.77 N ATOM 0 H LYS A 30 17.145 15.922 3.066 1.00 1.04 H new ATOM 0 HA LYS A 30 14.358 16.366 3.934 1.00 1.47 H new ATOM 0 HB2 LYS A 30 16.250 18.266 2.508 1.00 2.03 H new ATOM 0 HB3 LYS A 30 14.510 18.473 2.485 1.00 2.03 H new ATOM 0 HG2 LYS A 30 14.456 18.702 4.923 1.00 2.65 H new ATOM 0 HG3 LYS A 30 16.168 18.343 5.031 1.00 2.65 H new ATOM 0 HD2 LYS A 30 16.677 20.376 3.681 1.00 3.51 H new ATOM 0 HD3 LYS A 30 14.965 20.736 3.579 1.00 3.51 H new ATOM 0 HE2 LYS A 30 14.843 20.930 6.048 1.00 4.01 H new ATOM 0 HE3 LYS A 30 16.544 20.525 6.175 1.00 4.01 H new ATOM 0 HZ1 LYS A 30 16.199 22.906 6.291 1.00 4.77 H new ATOM 0 HZ2 LYS A 30 17.085 22.516 4.896 1.00 4.77 H new ATOM 0 HZ3 LYS A 30 15.438 22.908 4.773 1.00 4.77 H new ATOM 459 N GLY A 31 15.613 15.112 1.295 1.00 0.95 N ATOM 460 CA GLY A 31 15.298 14.480 0.033 1.00 0.88 C ATOM 461 C GLY A 31 14.816 13.086 0.240 1.00 0.80 C ATOM 462 O GLY A 31 13.730 12.909 0.749 1.00 0.85 O ATOM 0 H GLY A 31 16.526 14.870 1.680 1.00 0.95 H new ATOM 0 HA2 GLY A 31 14.535 15.059 -0.487 1.00 0.88 H new ATOM 0 HA3 GLY A 31 16.182 14.472 -0.605 1.00 0.88 H new ATOM 466 N SER A 32 15.600 12.091 -0.149 1.00 0.74 N ATOM 467 CA SER A 32 15.144 10.718 0.007 1.00 0.71 C ATOM 468 C SER A 32 16.210 9.702 0.337 1.00 0.70 C ATOM 469 O SER A 32 17.400 10.000 0.437 1.00 0.74 O ATOM 470 CB SER A 32 14.407 10.299 -1.238 1.00 0.68 C ATOM 471 OG SER A 32 15.178 10.533 -2.404 1.00 1.10 O ATOM 0 H SER A 32 16.526 12.201 -0.562 1.00 0.74 H new ATOM 0 HA SER A 32 14.495 10.728 0.882 1.00 0.71 H new ATOM 0 HB2 SER A 32 14.155 9.240 -1.174 1.00 0.68 H new ATOM 0 HB3 SER A 32 13.467 10.846 -1.307 1.00 0.68 H new ATOM 0 HG SER A 32 14.866 11.352 -2.843 1.00 1.10 H new ATOM 477 N LEU A 33 15.720 8.479 0.503 1.00 0.72 N ATOM 478 CA LEU A 33 16.538 7.332 0.794 1.00 0.74 C ATOM 479 C LEU A 33 16.831 6.569 -0.474 1.00 0.56 C ATOM 480 O LEU A 33 16.106 6.668 -1.464 1.00 0.52 O ATOM 481 CB LEU A 33 15.854 6.409 1.766 1.00 0.99 C ATOM 482 CG LEU A 33 16.558 5.071 1.997 1.00 1.19 C ATOM 483 CD1 LEU A 33 17.898 5.260 2.697 1.00 1.93 C ATOM 484 CD2 LEU A 33 15.652 4.153 2.777 1.00 1.69 C ATOM 0 H LEU A 33 14.725 8.264 0.436 1.00 0.72 H new ATOM 0 HA LEU A 33 17.466 7.692 1.238 1.00 0.74 H new ATOM 0 HB2 LEU A 33 15.758 6.921 2.723 1.00 0.99 H new ATOM 0 HB3 LEU A 33 14.844 6.213 1.407 1.00 0.99 H new ATOM 0 HG LEU A 33 16.771 4.615 1.030 1.00 1.19 H new ATOM 0 HD11 LEU A 33 18.371 4.289 2.845 1.00 1.93 H new ATOM 0 HD12 LEU A 33 18.544 5.888 2.083 1.00 1.93 H new ATOM 0 HD13 LEU A 33 17.739 5.738 3.664 1.00 1.93 H new ATOM 0 HD21 LEU A 33 16.154 3.200 2.941 1.00 1.69 H new ATOM 0 HD22 LEU A 33 15.413 4.608 3.738 1.00 1.69 H new ATOM 0 HD23 LEU A 33 14.732 3.987 2.216 1.00 1.69 H new ATOM 496 N ASN A 34 17.896 5.814 -0.429 1.00 0.57 N ATOM 497 CA ASN A 34 18.351 5.073 -1.557 1.00 0.47 C ATOM 498 C ASN A 34 18.022 3.592 -1.425 1.00 0.41 C ATOM 499 O ASN A 34 17.216 3.195 -0.583 1.00 0.56 O ATOM 500 CB ASN A 34 19.842 5.282 -1.592 1.00 0.56 C ATOM 501 CG ASN A 34 20.245 6.506 -2.395 1.00 1.37 C ATOM 502 OD1 ASN A 34 19.512 7.493 -2.450 1.00 2.12 O ATOM 503 ND2 ASN A 34 21.412 6.445 -3.024 1.00 2.11 N ATOM 0 H ASN A 34 18.473 5.700 0.404 1.00 0.57 H new ATOM 0 HA ASN A 34 17.864 5.409 -2.473 1.00 0.47 H new ATOM 0 HB2 ASN A 34 20.214 5.383 -0.573 1.00 0.56 H new ATOM 0 HB3 ASN A 34 20.318 4.400 -2.019 1.00 0.56 H new ATOM 0 HD21 ASN A 34 21.733 7.237 -3.581 1.00 2.11 H new ATOM 0 HD22 ASN A 34 21.988 5.606 -2.951 1.00 2.11 H new ATOM 510 N ILE A 35 18.656 2.780 -2.263 1.00 0.54 N ATOM 511 CA ILE A 35 18.444 1.351 -2.236 1.00 0.54 C ATOM 512 C ILE A 35 19.590 0.614 -1.561 1.00 0.56 C ATOM 513 O ILE A 35 19.772 -0.588 -1.761 1.00 0.63 O ATOM 514 CB ILE A 35 18.226 0.766 -3.640 1.00 0.60 C ATOM 515 CG1 ILE A 35 19.137 1.465 -4.650 1.00 0.70 C ATOM 516 CG2 ILE A 35 16.764 0.885 -4.039 1.00 0.66 C ATOM 517 CD1 ILE A 35 20.593 1.449 -4.244 1.00 1.05 C ATOM 0 H ILE A 35 19.322 3.095 -2.969 1.00 0.54 H new ATOM 0 HA ILE A 35 17.536 1.203 -1.651 1.00 0.54 H new ATOM 0 HB ILE A 35 18.485 -0.293 -3.629 1.00 0.60 H new ATOM 0 HG12 ILE A 35 19.031 0.982 -5.621 1.00 0.70 H new ATOM 0 HG13 ILE A 35 18.811 2.498 -4.771 1.00 0.70 H new ATOM 0 HG21 ILE A 35 16.624 0.467 -5.036 1.00 0.66 H new ATOM 0 HG22 ILE A 35 16.147 0.339 -3.326 1.00 0.66 H new ATOM 0 HG23 ILE A 35 16.472 1.935 -4.042 1.00 0.66 H new ATOM 0 HD11 ILE A 35 21.188 1.960 -5.001 1.00 1.05 H new ATOM 0 HD12 ILE A 35 20.709 1.958 -3.287 1.00 1.05 H new ATOM 0 HD13 ILE A 35 20.933 0.418 -4.151 1.00 1.05 H new ATOM 529 N ASN A 36 20.350 1.334 -0.757 1.00 0.59 N ATOM 530 CA ASN A 36 21.458 0.742 -0.030 1.00 0.63 C ATOM 531 C ASN A 36 20.895 -0.135 1.052 1.00 0.59 C ATOM 532 O ASN A 36 21.093 -1.348 1.055 1.00 0.59 O ATOM 533 CB ASN A 36 22.342 1.821 0.581 1.00 0.70 C ATOM 534 CG ASN A 36 23.435 1.244 1.460 1.00 1.33 C ATOM 535 OD1 ASN A 36 23.260 1.096 2.670 1.00 2.15 O ATOM 536 ND2 ASN A 36 24.569 0.907 0.856 1.00 1.89 N ATOM 0 H ASN A 36 20.220 2.332 -0.591 1.00 0.59 H new ATOM 0 HA ASN A 36 22.072 0.155 -0.713 1.00 0.63 H new ATOM 0 HB2 ASN A 36 22.794 2.411 -0.216 1.00 0.70 H new ATOM 0 HB3 ASN A 36 21.726 2.501 1.170 1.00 0.70 H new ATOM 0 HD21 ASN A 36 25.336 0.509 1.397 1.00 1.89 H new ATOM 0 HD22 ASN A 36 24.672 1.046 -0.149 1.00 1.89 H new ATOM 543 N GLU A 37 20.190 0.477 1.989 1.00 0.57 N ATOM 544 CA GLU A 37 19.566 -0.303 3.026 1.00 0.56 C ATOM 545 C GLU A 37 18.583 -1.238 2.394 1.00 0.50 C ATOM 546 O GLU A 37 18.405 -2.337 2.867 1.00 0.52 O ATOM 547 CB GLU A 37 18.865 0.545 4.062 1.00 0.66 C ATOM 548 CG GLU A 37 19.802 1.429 4.855 1.00 0.75 C ATOM 549 CD GLU A 37 19.222 1.858 6.189 1.00 0.76 C ATOM 550 OE1 GLU A 37 18.529 1.038 6.826 1.00 1.29 O ATOM 551 OE2 GLU A 37 19.465 3.013 6.600 1.00 1.40 O ATOM 0 H GLU A 37 20.042 1.484 2.048 1.00 0.57 H new ATOM 0 HA GLU A 37 20.351 -0.849 3.548 1.00 0.56 H new ATOM 0 HB2 GLU A 37 18.122 1.170 3.566 1.00 0.66 H new ATOM 0 HB3 GLU A 37 18.326 -0.107 4.749 1.00 0.66 H new ATOM 0 HG2 GLU A 37 20.738 0.897 5.026 1.00 0.75 H new ATOM 0 HG3 GLU A 37 20.042 2.315 4.267 1.00 0.75 H new ATOM 558 N PHE A 38 17.946 -0.811 1.302 1.00 0.46 N ATOM 559 CA PHE A 38 17.019 -1.681 0.603 1.00 0.42 C ATOM 560 C PHE A 38 17.661 -3.052 0.416 1.00 0.45 C ATOM 561 O PHE A 38 16.978 -4.065 0.378 1.00 0.45 O ATOM 562 CB PHE A 38 16.655 -1.061 -0.737 1.00 0.43 C ATOM 563 CG PHE A 38 15.405 -1.609 -1.344 1.00 0.41 C ATOM 564 CD1 PHE A 38 15.333 -2.932 -1.722 1.00 1.30 C ATOM 565 CD2 PHE A 38 14.302 -0.795 -1.539 1.00 1.21 C ATOM 566 CE1 PHE A 38 14.184 -3.440 -2.287 1.00 1.32 C ATOM 567 CE2 PHE A 38 13.146 -1.297 -2.103 1.00 1.21 C ATOM 568 CZ PHE A 38 13.087 -2.623 -2.477 1.00 0.45 C ATOM 0 H PHE A 38 18.057 0.117 0.894 1.00 0.46 H new ATOM 0 HA PHE A 38 16.105 -1.802 1.184 1.00 0.42 H new ATOM 0 HB2 PHE A 38 16.542 0.015 -0.608 1.00 0.43 H new ATOM 0 HB3 PHE A 38 17.481 -1.214 -1.432 1.00 0.43 H new ATOM 0 HD1 PHE A 38 16.186 -3.577 -1.574 1.00 1.30 H new ATOM 0 HD2 PHE A 38 14.346 0.244 -1.247 1.00 1.21 H new ATOM 0 HE1 PHE A 38 14.141 -4.478 -2.582 1.00 1.32 H new ATOM 0 HE2 PHE A 38 12.291 -0.654 -2.251 1.00 1.21 H new ATOM 0 HZ PHE A 38 12.185 -3.022 -2.917 1.00 0.45 H new ATOM 578 N LYS A 39 18.998 -3.060 0.346 1.00 0.49 N ATOM 579 CA LYS A 39 19.763 -4.290 0.204 1.00 0.53 C ATOM 580 C LYS A 39 19.564 -5.223 1.386 1.00 0.53 C ATOM 581 O LYS A 39 19.998 -6.375 1.384 1.00 0.56 O ATOM 582 CB LYS A 39 21.230 -3.960 -0.004 1.00 0.61 C ATOM 583 CG LYS A 39 21.420 -2.966 -1.118 1.00 0.67 C ATOM 584 CD LYS A 39 22.167 -3.577 -2.289 1.00 0.71 C ATOM 585 CE LYS A 39 22.385 -2.563 -3.398 1.00 1.47 C ATOM 586 NZ LYS A 39 23.234 -1.423 -2.954 1.00 1.80 N ATOM 0 H LYS A 39 19.570 -2.217 0.387 1.00 0.49 H new ATOM 0 HA LYS A 39 19.395 -4.822 -0.673 1.00 0.53 H new ATOM 0 HB2 LYS A 39 21.648 -3.558 0.919 1.00 0.61 H new ATOM 0 HB3 LYS A 39 21.780 -4.873 -0.232 1.00 0.61 H new ATOM 0 HG2 LYS A 39 20.448 -2.605 -1.454 1.00 0.67 H new ATOM 0 HG3 LYS A 39 21.970 -2.102 -0.746 1.00 0.67 H new ATOM 0 HD2 LYS A 39 23.130 -3.959 -1.949 1.00 0.71 H new ATOM 0 HD3 LYS A 39 21.606 -4.427 -2.677 1.00 0.71 H new ATOM 0 HE2 LYS A 39 22.854 -3.054 -4.251 1.00 1.47 H new ATOM 0 HE3 LYS A 39 21.421 -2.186 -3.739 1.00 1.47 H new ATOM 0 HZ1 LYS A 39 23.843 -1.117 -3.740 1.00 1.80 H new ATOM 0 HZ2 LYS A 39 22.627 -0.632 -2.659 1.00 1.80 H new ATOM 0 HZ3 LYS A 39 23.826 -1.722 -2.153 1.00 1.80 H new ATOM 600 N GLU A 40 18.983 -4.691 2.416 1.00 0.52 N ATOM 601 CA GLU A 40 18.623 -5.480 3.572 1.00 0.56 C ATOM 602 C GLU A 40 17.263 -6.153 3.304 1.00 0.54 C ATOM 603 O GLU A 40 16.782 -6.946 4.114 1.00 0.60 O ATOM 604 CB GLU A 40 18.578 -4.612 4.844 1.00 0.60 C ATOM 605 CG GLU A 40 17.285 -3.835 5.040 1.00 1.09 C ATOM 606 CD GLU A 40 17.184 -3.214 6.420 1.00 1.91 C ATOM 607 OE1 GLU A 40 16.780 -3.925 7.364 1.00 2.43 O ATOM 608 OE2 GLU A 40 17.510 -2.016 6.556 1.00 2.62 O ATOM 0 H GLU A 40 18.742 -3.702 2.488 1.00 0.52 H new ATOM 0 HA GLU A 40 19.379 -6.247 3.741 1.00 0.56 H new ATOM 0 HB2 GLU A 40 18.735 -5.254 5.711 1.00 0.60 H new ATOM 0 HB3 GLU A 40 19.409 -3.907 4.815 1.00 0.60 H new ATOM 0 HG2 GLU A 40 17.219 -3.050 4.286 1.00 1.09 H new ATOM 0 HG3 GLU A 40 16.437 -4.501 4.882 1.00 1.09 H new ATOM 615 N LEU A 41 16.647 -5.822 2.147 1.00 0.49 N ATOM 616 CA LEU A 41 15.342 -6.365 1.773 1.00 0.50 C ATOM 617 C LEU A 41 15.422 -7.773 1.192 1.00 0.55 C ATOM 618 O LEU A 41 15.443 -8.735 1.949 1.00 0.62 O ATOM 619 CB LEU A 41 14.622 -5.457 0.771 1.00 0.46 C ATOM 620 CG LEU A 41 14.206 -4.082 1.271 1.00 0.44 C ATOM 621 CD1 LEU A 41 13.080 -3.546 0.402 1.00 0.55 C ATOM 622 CD2 LEU A 41 13.767 -4.136 2.731 1.00 0.66 C ATOM 0 H LEU A 41 17.042 -5.179 1.461 1.00 0.49 H new ATOM 0 HA LEU A 41 14.775 -6.414 2.703 1.00 0.50 H new ATOM 0 HB2 LEU A 41 15.272 -5.322 -0.094 1.00 0.46 H new ATOM 0 HB3 LEU A 41 13.730 -5.976 0.422 1.00 0.46 H new ATOM 0 HG LEU A 41 15.065 -3.414 1.207 1.00 0.44 H new ATOM 0 HD11 LEU A 41 12.782 -2.561 0.760 1.00 0.55 H new ATOM 0 HD12 LEU A 41 13.422 -3.469 -0.630 1.00 0.55 H new ATOM 0 HD13 LEU A 41 12.228 -4.224 0.452 1.00 0.55 H new ATOM 0 HD21 LEU A 41 13.476 -3.139 3.060 1.00 0.66 H new ATOM 0 HD22 LEU A 41 12.919 -4.814 2.831 1.00 0.66 H new ATOM 0 HD23 LEU A 41 14.592 -4.494 3.346 1.00 0.66 H new ATOM 634 N ALA A 42 15.478 -7.898 -0.151 1.00 0.55 N ATOM 635 CA ALA A 42 15.500 -9.207 -0.802 1.00 0.61 C ATOM 636 C ALA A 42 16.314 -10.219 -0.023 1.00 0.67 C ATOM 637 O ALA A 42 15.990 -11.393 0.015 1.00 0.74 O ATOM 638 CB ALA A 42 16.042 -9.106 -2.204 1.00 0.65 C ATOM 0 H ALA A 42 15.508 -7.108 -0.795 1.00 0.55 H new ATOM 0 HA ALA A 42 14.466 -9.552 -0.836 1.00 0.61 H new ATOM 0 HB1 ALA A 42 16.047 -10.094 -2.664 1.00 0.65 H new ATOM 0 HB2 ALA A 42 15.413 -8.436 -2.790 1.00 0.65 H new ATOM 0 HB3 ALA A 42 17.059 -8.715 -2.174 1.00 0.65 H new ATOM 644 N THR A 43 17.351 -9.742 0.626 1.00 0.66 N ATOM 645 CA THR A 43 18.212 -10.587 1.401 1.00 0.73 C ATOM 646 C THR A 43 17.433 -11.314 2.504 1.00 0.78 C ATOM 647 O THR A 43 17.365 -12.541 2.517 1.00 0.86 O ATOM 648 CB THR A 43 19.335 -9.724 1.990 1.00 0.72 C ATOM 649 OG1 THR A 43 18.817 -8.429 2.364 1.00 0.66 O ATOM 650 CG2 THR A 43 20.446 -9.543 0.973 1.00 0.75 C ATOM 0 H THR A 43 17.616 -8.757 0.628 1.00 0.66 H new ATOM 0 HA THR A 43 18.640 -11.358 0.761 1.00 0.73 H new ATOM 0 HB THR A 43 19.732 -10.227 2.872 1.00 0.72 H new ATOM 0 HG1 THR A 43 19.394 -7.727 1.997 1.00 0.66 H new ATOM 0 HG21 THR A 43 21.237 -8.929 1.403 1.00 0.75 H new ATOM 0 HG22 THR A 43 20.851 -10.517 0.700 1.00 0.75 H new ATOM 0 HG23 THR A 43 20.049 -9.053 0.084 1.00 0.75 H new ATOM 658 N GLN A 44 16.871 -10.554 3.437 1.00 0.77 N ATOM 659 CA GLN A 44 16.075 -11.116 4.514 1.00 0.85 C ATOM 660 C GLN A 44 14.664 -11.398 4.037 1.00 0.85 C ATOM 661 O GLN A 44 13.996 -12.306 4.530 1.00 0.94 O ATOM 662 CB GLN A 44 16.043 -10.155 5.704 1.00 0.88 C ATOM 663 CG GLN A 44 17.415 -9.852 6.280 1.00 1.54 C ATOM 664 CD GLN A 44 18.058 -11.068 6.914 1.00 2.05 C ATOM 665 OE1 GLN A 44 17.886 -11.325 8.105 1.00 2.54 O ATOM 666 NE2 GLN A 44 18.802 -11.825 6.117 1.00 2.75 N ATOM 0 H GLN A 44 16.955 -9.538 3.466 1.00 0.77 H new ATOM 0 HA GLN A 44 16.532 -12.054 4.829 1.00 0.85 H new ATOM 0 HB2 GLN A 44 15.575 -9.221 5.393 1.00 0.88 H new ATOM 0 HB3 GLN A 44 15.416 -10.581 6.487 1.00 0.88 H new ATOM 0 HG2 GLN A 44 18.062 -9.473 5.489 1.00 1.54 H new ATOM 0 HG3 GLN A 44 17.326 -9.061 7.025 1.00 1.54 H new ATOM 0 HE21 GLN A 44 18.917 -11.573 5.135 1.00 2.75 H new ATOM 0 HE22 GLN A 44 19.259 -12.659 6.486 1.00 2.75 H new ATOM 675 N GLN A 45 14.217 -10.608 3.077 1.00 0.78 N ATOM 676 CA GLN A 45 12.892 -10.779 2.519 1.00 0.83 C ATOM 677 C GLN A 45 12.864 -12.045 1.694 1.00 0.79 C ATOM 678 O GLN A 45 11.819 -12.681 1.551 1.00 0.80 O ATOM 679 CB GLN A 45 12.523 -9.578 1.664 1.00 0.93 C ATOM 680 CG GLN A 45 12.489 -8.272 2.436 1.00 0.97 C ATOM 681 CD GLN A 45 11.718 -7.178 1.724 1.00 1.36 C ATOM 682 OE1 GLN A 45 11.279 -6.220 2.357 1.00 2.34 O ATOM 683 NE2 GLN A 45 11.554 -7.304 0.405 1.00 1.43 N ATOM 0 H GLN A 45 14.754 -9.842 2.669 1.00 0.78 H new ATOM 0 HA GLN A 45 12.163 -10.858 3.325 1.00 0.83 H new ATOM 0 HB2 GLN A 45 13.240 -9.490 0.848 1.00 0.93 H new ATOM 0 HB3 GLN A 45 11.546 -9.750 1.213 1.00 0.93 H new ATOM 0 HG2 GLN A 45 12.040 -8.447 3.414 1.00 0.97 H new ATOM 0 HG3 GLN A 45 13.510 -7.934 2.610 1.00 0.97 H new ATOM 0 HE21 GLN A 45 11.935 -8.116 -0.081 1.00 1.43 H new ATOM 0 HE22 GLN A 45 11.048 -6.588 -0.117 1.00 1.43 H new ATOM 692 N LEU A 46 14.032 -12.398 1.134 1.00 0.78 N ATOM 693 CA LEU A 46 14.188 -13.620 0.345 1.00 0.78 C ATOM 694 C LEU A 46 13.399 -14.729 1.009 1.00 0.74 C ATOM 695 O LEU A 46 12.411 -15.198 0.450 1.00 0.75 O ATOM 696 CB LEU A 46 15.667 -14.033 0.218 1.00 0.83 C ATOM 697 CG LEU A 46 16.326 -13.862 -1.163 1.00 1.04 C ATOM 698 CD1 LEU A 46 17.553 -14.752 -1.269 1.00 1.25 C ATOM 699 CD2 LEU A 46 15.347 -14.176 -2.283 1.00 1.30 C ATOM 0 H LEU A 46 14.886 -11.846 1.217 1.00 0.78 H new ATOM 0 HA LEU A 46 13.814 -13.434 -0.662 1.00 0.78 H new ATOM 0 HB2 LEU A 46 16.243 -13.456 0.942 1.00 0.83 H new ATOM 0 HB3 LEU A 46 15.752 -15.081 0.506 1.00 0.83 H new ATOM 0 HG LEU A 46 16.631 -12.821 -1.267 1.00 1.04 H new ATOM 0 HD11 LEU A 46 18.012 -14.624 -2.249 1.00 1.25 H new ATOM 0 HD12 LEU A 46 18.269 -14.478 -0.494 1.00 1.25 H new ATOM 0 HD13 LEU A 46 17.259 -15.794 -1.139 1.00 1.25 H new ATOM 0 HD21 LEU A 46 15.842 -14.046 -3.246 1.00 1.30 H new ATOM 0 HD22 LEU A 46 15.003 -15.206 -2.188 1.00 1.30 H new ATOM 0 HD23 LEU A 46 14.493 -13.501 -2.220 1.00 1.30 H new ATOM 711 N PRO A 47 13.802 -15.168 2.220 1.00 0.78 N ATOM 712 CA PRO A 47 13.025 -16.181 2.890 1.00 0.80 C ATOM 713 C PRO A 47 11.825 -15.575 3.598 1.00 0.77 C ATOM 714 O PRO A 47 11.894 -15.176 4.761 1.00 0.81 O ATOM 715 CB PRO A 47 14.011 -16.716 3.931 1.00 0.90 C ATOM 716 CG PRO A 47 14.921 -15.573 4.224 1.00 0.95 C ATOM 717 CD PRO A 47 15.005 -14.766 2.960 1.00 0.90 C ATOM 0 HA PRO A 47 12.631 -16.934 2.207 1.00 0.80 H new ATOM 0 HB2 PRO A 47 13.493 -17.049 4.831 1.00 0.90 H new ATOM 0 HB3 PRO A 47 14.565 -17.573 3.547 1.00 0.90 H new ATOM 0 HG2 PRO A 47 14.535 -14.970 5.046 1.00 0.95 H new ATOM 0 HG3 PRO A 47 15.907 -15.928 4.525 1.00 0.95 H new ATOM 0 HD2 PRO A 47 15.011 -13.696 3.166 1.00 0.90 H new ATOM 0 HD3 PRO A 47 15.914 -14.988 2.401 1.00 0.90 H new ATOM 725 N HIS A 48 10.731 -15.512 2.862 1.00 0.73 N ATOM 726 CA HIS A 48 9.445 -15.080 3.386 1.00 0.74 C ATOM 727 C HIS A 48 8.612 -16.299 3.727 1.00 0.83 C ATOM 728 O HIS A 48 9.140 -17.403 3.873 1.00 0.91 O ATOM 729 CB HIS A 48 8.698 -14.163 2.401 1.00 0.73 C ATOM 730 CG HIS A 48 8.564 -12.773 2.924 1.00 0.98 C ATOM 731 ND1 HIS A 48 9.598 -11.863 2.898 1.00 1.87 N ATOM 732 CD2 HIS A 48 7.520 -12.142 3.505 1.00 1.34 C ATOM 733 CE1 HIS A 48 9.198 -10.731 3.443 1.00 2.04 C ATOM 734 NE2 HIS A 48 7.939 -10.873 3.820 1.00 1.61 N ATOM 0 H HIS A 48 10.708 -15.761 1.873 1.00 0.73 H new ATOM 0 HA HIS A 48 9.620 -14.492 4.287 1.00 0.74 H new ATOM 0 HB2 HIS A 48 9.230 -14.143 1.450 1.00 0.73 H new ATOM 0 HB3 HIS A 48 7.708 -14.573 2.204 1.00 0.73 H new ATOM 0 HD1 HIS A 48 10.528 -12.038 2.517 1.00 1.87 H new ATOM 0 HD2 HIS A 48 6.540 -12.558 3.687 1.00 1.34 H new ATOM 0 HE1 HIS A 48 9.797 -9.840 3.561 1.00 2.04 H new ATOM 743 N LEU A 49 7.312 -16.098 3.859 1.00 0.88 N ATOM 744 CA LEU A 49 6.410 -17.209 4.050 1.00 1.00 C ATOM 745 C LEU A 49 6.168 -17.791 2.657 1.00 0.98 C ATOM 746 O LEU A 49 6.815 -18.759 2.258 1.00 1.02 O ATOM 747 CB LEU A 49 5.100 -16.752 4.703 1.00 1.10 C ATOM 748 CG LEU A 49 5.220 -16.329 6.169 1.00 1.62 C ATOM 749 CD1 LEU A 49 5.766 -17.469 7.015 1.00 2.02 C ATOM 750 CD2 LEU A 49 6.105 -15.098 6.300 1.00 2.44 C ATOM 0 H LEU A 49 6.865 -15.181 3.837 1.00 0.88 H new ATOM 0 HA LEU A 49 6.832 -17.956 4.722 1.00 1.00 H new ATOM 0 HB2 LEU A 49 4.699 -15.915 4.131 1.00 1.10 H new ATOM 0 HB3 LEU A 49 4.375 -17.563 4.633 1.00 1.10 H new ATOM 0 HG LEU A 49 4.224 -16.078 6.534 1.00 1.62 H new ATOM 0 HD11 LEU A 49 5.843 -17.147 8.053 1.00 2.02 H new ATOM 0 HD12 LEU A 49 5.094 -18.325 6.950 1.00 2.02 H new ATOM 0 HD13 LEU A 49 6.753 -17.754 6.649 1.00 2.02 H new ATOM 0 HD21 LEU A 49 6.178 -14.813 7.349 1.00 2.44 H new ATOM 0 HD22 LEU A 49 7.100 -15.322 5.915 1.00 2.44 H new ATOM 0 HD23 LEU A 49 5.672 -14.276 5.730 1.00 2.44 H new ATOM 762 N LEU A 50 5.232 -17.191 1.921 1.00 0.98 N ATOM 763 CA LEU A 50 4.960 -17.582 0.540 1.00 1.01 C ATOM 764 C LEU A 50 5.923 -16.842 -0.401 1.00 0.92 C ATOM 765 O LEU A 50 5.499 -16.217 -1.373 1.00 1.01 O ATOM 766 CB LEU A 50 3.510 -17.267 0.168 1.00 1.11 C ATOM 767 CG LEU A 50 3.070 -17.778 -1.204 1.00 1.60 C ATOM 768 CD1 LEU A 50 3.225 -19.288 -1.284 1.00 1.97 C ATOM 769 CD2 LEU A 50 1.631 -17.373 -1.485 1.00 2.25 C ATOM 0 H LEU A 50 4.647 -16.428 2.262 1.00 0.98 H new ATOM 0 HA LEU A 50 5.112 -18.657 0.439 1.00 1.01 H new ATOM 0 HB2 LEU A 50 2.855 -17.696 0.926 1.00 1.11 H new ATOM 0 HB3 LEU A 50 3.369 -16.187 0.199 1.00 1.11 H new ATOM 0 HG LEU A 50 3.709 -17.326 -1.963 1.00 1.60 H new ATOM 0 HD11 LEU A 50 2.907 -19.635 -2.267 1.00 1.97 H new ATOM 0 HD12 LEU A 50 4.270 -19.555 -1.125 1.00 1.97 H new ATOM 0 HD13 LEU A 50 2.609 -19.758 -0.517 1.00 1.97 H new ATOM 0 HD21 LEU A 50 1.333 -17.745 -2.466 1.00 2.25 H new ATOM 0 HD22 LEU A 50 0.978 -17.798 -0.722 1.00 2.25 H new ATOM 0 HD23 LEU A 50 1.549 -16.286 -1.469 1.00 2.25 H new ATOM 781 N LYS A 51 7.219 -16.926 -0.103 1.00 0.85 N ATOM 782 CA LYS A 51 8.253 -16.241 -0.872 1.00 0.81 C ATOM 783 C LYS A 51 8.002 -16.255 -2.375 1.00 0.88 C ATOM 784 O LYS A 51 7.283 -17.100 -2.908 1.00 1.03 O ATOM 785 CB LYS A 51 9.621 -16.859 -0.564 1.00 0.97 C ATOM 786 CG LYS A 51 10.743 -16.402 -1.503 1.00 1.23 C ATOM 787 CD LYS A 51 12.062 -17.167 -1.329 1.00 2.11 C ATOM 788 CE LYS A 51 12.170 -17.893 0.004 1.00 2.68 C ATOM 789 NZ LYS A 51 13.573 -18.281 0.316 1.00 3.58 N ATOM 0 H LYS A 51 7.580 -17.472 0.679 1.00 0.85 H new ATOM 0 HA LYS A 51 8.230 -15.195 -0.566 1.00 0.81 H new ATOM 0 HB2 LYS A 51 9.897 -16.611 0.461 1.00 0.97 H new ATOM 0 HB3 LYS A 51 9.537 -17.944 -0.618 1.00 0.97 H new ATOM 0 HG2 LYS A 51 10.406 -16.512 -2.534 1.00 1.23 H new ATOM 0 HG3 LYS A 51 10.928 -15.340 -1.340 1.00 1.23 H new ATOM 0 HD2 LYS A 51 12.162 -17.891 -2.138 1.00 2.11 H new ATOM 0 HD3 LYS A 51 12.893 -16.468 -1.422 1.00 2.11 H new ATOM 0 HE2 LYS A 51 11.786 -17.252 0.798 1.00 2.68 H new ATOM 0 HE3 LYS A 51 11.543 -18.785 -0.017 1.00 2.68 H new ATOM 0 HZ1 LYS A 51 13.654 -18.505 1.328 1.00 3.58 H new ATOM 0 HZ2 LYS A 51 13.835 -19.116 -0.245 1.00 3.58 H new ATOM 0 HZ3 LYS A 51 14.211 -17.493 0.083 1.00 3.58 H new ATOM 803 N ASP A 52 8.624 -15.282 -3.034 1.00 0.92 N ATOM 804 CA ASP A 52 8.546 -15.127 -4.481 1.00 1.17 C ATOM 805 C ASP A 52 9.877 -15.520 -5.119 1.00 1.23 C ATOM 806 O ASP A 52 9.915 -15.933 -6.276 1.00 1.47 O ATOM 807 CB ASP A 52 8.192 -13.683 -4.850 1.00 1.29 C ATOM 808 CG ASP A 52 6.766 -13.326 -4.479 1.00 1.87 C ATOM 809 OD1 ASP A 52 6.495 -13.138 -3.275 1.00 2.35 O ATOM 810 OD2 ASP A 52 5.920 -13.235 -5.394 1.00 2.61 O ATOM 0 H ASP A 52 9.199 -14.575 -2.576 1.00 0.92 H new ATOM 0 HA ASP A 52 7.761 -15.782 -4.859 1.00 1.17 H new ATOM 0 HB2 ASP A 52 8.877 -13.003 -4.344 1.00 1.29 H new ATOM 0 HB3 ASP A 52 8.333 -13.539 -5.921 1.00 1.29 H new ATOM 815 N VAL A 53 10.962 -15.363 -4.343 1.00 1.13 N ATOM 816 CA VAL A 53 12.318 -15.708 -4.754 1.00 1.26 C ATOM 817 C VAL A 53 12.991 -14.561 -5.485 1.00 1.24 C ATOM 818 O VAL A 53 13.095 -14.561 -6.712 1.00 1.48 O ATOM 819 CB VAL A 53 12.345 -16.948 -5.638 1.00 1.57 C ATOM 820 CG1 VAL A 53 13.771 -17.330 -6.004 1.00 2.17 C ATOM 821 CG2 VAL A 53 11.620 -18.106 -4.970 1.00 1.91 C ATOM 0 H VAL A 53 10.912 -14.985 -3.397 1.00 1.13 H new ATOM 0 HA VAL A 53 12.869 -15.918 -3.837 1.00 1.26 H new ATOM 0 HB VAL A 53 11.819 -16.712 -6.563 1.00 1.57 H new ATOM 0 HG11 VAL A 53 13.759 -18.218 -6.635 1.00 2.17 H new ATOM 0 HG12 VAL A 53 14.241 -16.508 -6.544 1.00 2.17 H new ATOM 0 HG13 VAL A 53 14.337 -17.538 -5.096 1.00 2.17 H new ATOM 0 HG21 VAL A 53 11.653 -18.980 -5.621 1.00 1.91 H new ATOM 0 HG22 VAL A 53 12.105 -18.341 -4.022 1.00 1.91 H new ATOM 0 HG23 VAL A 53 10.582 -17.829 -4.787 1.00 1.91 H new ATOM 831 N GLY A 54 13.439 -13.581 -4.718 1.00 1.06 N ATOM 832 CA GLY A 54 14.108 -12.438 -5.292 1.00 1.11 C ATOM 833 C GLY A 54 15.366 -12.823 -6.049 1.00 1.14 C ATOM 834 O GLY A 54 16.402 -13.099 -5.446 1.00 1.24 O ATOM 0 H GLY A 54 13.350 -13.558 -3.702 1.00 1.06 H new ATOM 0 HA2 GLY A 54 13.425 -11.922 -5.967 1.00 1.11 H new ATOM 0 HA3 GLY A 54 14.365 -11.735 -4.499 1.00 1.11 H new ATOM 838 N SER A 55 15.270 -12.842 -7.376 1.00 1.18 N ATOM 839 CA SER A 55 16.408 -13.187 -8.222 1.00 1.25 C ATOM 840 C SER A 55 17.533 -12.172 -8.036 1.00 1.11 C ATOM 841 O SER A 55 17.347 -10.982 -8.283 1.00 1.10 O ATOM 842 CB SER A 55 15.979 -13.238 -9.689 1.00 1.41 C ATOM 843 OG SER A 55 15.689 -11.942 -10.182 1.00 1.61 O ATOM 0 H SER A 55 14.416 -12.622 -7.888 1.00 1.18 H new ATOM 0 HA SER A 55 16.775 -14.171 -7.930 1.00 1.25 H new ATOM 0 HB2 SER A 55 16.771 -13.689 -10.287 1.00 1.41 H new ATOM 0 HB3 SER A 55 15.100 -13.874 -9.792 1.00 1.41 H new ATOM 0 HG SER A 55 16.111 -11.824 -11.059 1.00 1.61 H new ATOM 849 N LEU A 56 18.709 -12.663 -7.648 1.00 1.15 N ATOM 850 CA LEU A 56 19.872 -11.811 -7.384 1.00 1.10 C ATOM 851 C LEU A 56 19.982 -10.644 -8.363 1.00 0.98 C ATOM 852 O LEU A 56 20.452 -9.567 -7.995 1.00 0.97 O ATOM 853 CB LEU A 56 21.152 -12.644 -7.430 1.00 1.28 C ATOM 854 CG LEU A 56 21.206 -13.799 -6.429 1.00 2.03 C ATOM 855 CD1 LEU A 56 22.511 -14.566 -6.570 1.00 2.61 C ATOM 856 CD2 LEU A 56 21.039 -13.279 -5.009 1.00 2.83 C ATOM 0 H LEU A 56 18.884 -13.658 -7.508 1.00 1.15 H new ATOM 0 HA LEU A 56 19.736 -11.387 -6.389 1.00 1.10 H new ATOM 0 HB2 LEU A 56 21.269 -13.048 -8.435 1.00 1.28 H new ATOM 0 HB3 LEU A 56 22.003 -11.987 -7.250 1.00 1.28 H new ATOM 0 HG LEU A 56 20.384 -14.482 -6.643 1.00 2.03 H new ATOM 0 HD11 LEU A 56 22.532 -15.384 -5.850 1.00 2.61 H new ATOM 0 HD12 LEU A 56 22.589 -14.969 -7.580 1.00 2.61 H new ATOM 0 HD13 LEU A 56 23.349 -13.895 -6.382 1.00 2.61 H new ATOM 0 HD21 LEU A 56 21.080 -14.113 -4.309 1.00 2.83 H new ATOM 0 HD22 LEU A 56 21.840 -12.576 -4.782 1.00 2.83 H new ATOM 0 HD23 LEU A 56 20.077 -12.775 -4.917 1.00 2.83 H new ATOM 868 N ASP A 57 19.563 -10.848 -9.604 1.00 1.00 N ATOM 869 CA ASP A 57 19.615 -9.773 -10.588 1.00 1.01 C ATOM 870 C ASP A 57 18.557 -8.733 -10.285 1.00 0.95 C ATOM 871 O ASP A 57 18.836 -7.536 -10.231 1.00 0.96 O ATOM 872 CB ASP A 57 19.387 -10.280 -12.001 1.00 1.15 C ATOM 873 CG ASP A 57 18.337 -11.373 -12.077 1.00 1.69 C ATOM 874 OD1 ASP A 57 17.136 -11.039 -12.161 1.00 2.20 O ATOM 875 OD2 ASP A 57 18.716 -12.562 -12.051 1.00 2.48 O ATOM 0 H ASP A 57 19.189 -11.731 -9.951 1.00 1.00 H new ATOM 0 HA ASP A 57 20.613 -9.339 -10.525 1.00 1.01 H new ATOM 0 HB2 ASP A 57 19.083 -9.447 -12.635 1.00 1.15 H new ATOM 0 HB3 ASP A 57 20.327 -10.659 -12.401 1.00 1.15 H new ATOM 880 N GLU A 58 17.333 -9.207 -10.097 1.00 0.94 N ATOM 881 CA GLU A 58 16.212 -8.337 -9.791 1.00 0.95 C ATOM 882 C GLU A 58 16.573 -7.470 -8.600 1.00 0.87 C ATOM 883 O GLU A 58 16.134 -6.326 -8.486 1.00 0.90 O ATOM 884 CB GLU A 58 14.957 -9.164 -9.506 1.00 0.98 C ATOM 885 CG GLU A 58 13.752 -8.324 -9.129 1.00 1.43 C ATOM 886 CD GLU A 58 13.247 -7.479 -10.282 1.00 1.80 C ATOM 887 OE1 GLU A 58 13.721 -6.332 -10.429 1.00 2.29 O ATOM 888 OE2 GLU A 58 12.380 -7.965 -11.038 1.00 2.42 O ATOM 0 H GLU A 58 17.093 -10.197 -10.152 1.00 0.94 H new ATOM 0 HA GLU A 58 15.998 -7.697 -10.647 1.00 0.95 H new ATOM 0 HB2 GLU A 58 14.715 -9.758 -10.387 1.00 0.98 H new ATOM 0 HB3 GLU A 58 15.169 -9.865 -8.698 1.00 0.98 H new ATOM 0 HG2 GLU A 58 12.951 -8.978 -8.785 1.00 1.43 H new ATOM 0 HG3 GLU A 58 14.014 -7.674 -8.294 1.00 1.43 H new ATOM 895 N LYS A 59 17.391 -8.037 -7.718 1.00 0.81 N ATOM 896 CA LYS A 59 17.863 -7.322 -6.552 1.00 0.76 C ATOM 897 C LYS A 59 18.694 -6.127 -6.998 1.00 0.80 C ATOM 898 O LYS A 59 18.685 -5.076 -6.363 1.00 0.79 O ATOM 899 CB LYS A 59 18.721 -8.229 -5.656 1.00 0.75 C ATOM 900 CG LYS A 59 17.942 -9.072 -4.650 1.00 0.75 C ATOM 901 CD LYS A 59 16.982 -10.023 -5.327 1.00 1.14 C ATOM 902 CE LYS A 59 15.559 -9.528 -5.190 1.00 1.95 C ATOM 903 NZ LYS A 59 14.760 -9.775 -6.418 1.00 2.67 N ATOM 0 H LYS A 59 17.738 -8.993 -7.795 1.00 0.81 H new ATOM 0 HA LYS A 59 16.998 -6.989 -5.978 1.00 0.76 H new ATOM 0 HB2 LYS A 59 19.302 -8.896 -6.292 1.00 0.75 H new ATOM 0 HB3 LYS A 59 19.432 -7.608 -5.112 1.00 0.75 H new ATOM 0 HG2 LYS A 59 18.641 -9.640 -4.035 1.00 0.75 H new ATOM 0 HG3 LYS A 59 17.388 -8.415 -3.979 1.00 0.75 H new ATOM 0 HD2 LYS A 59 17.240 -10.119 -6.382 1.00 1.14 H new ATOM 0 HD3 LYS A 59 17.072 -11.015 -4.885 1.00 1.14 H new ATOM 0 HE2 LYS A 59 15.084 -10.023 -4.343 1.00 1.95 H new ATOM 0 HE3 LYS A 59 15.567 -8.460 -4.972 1.00 1.95 H new ATOM 0 HZ1 LYS A 59 13.775 -9.980 -6.156 1.00 2.67 H new ATOM 0 HZ2 LYS A 59 14.788 -8.932 -7.026 1.00 2.67 H new ATOM 0 HZ3 LYS A 59 15.157 -10.587 -6.933 1.00 2.67 H new ATOM 917 N MET A 60 19.405 -6.311 -8.110 1.00 0.86 N ATOM 918 CA MET A 60 20.273 -5.283 -8.665 1.00 0.92 C ATOM 919 C MET A 60 19.510 -4.251 -9.490 1.00 0.96 C ATOM 920 O MET A 60 19.780 -3.055 -9.408 1.00 1.01 O ATOM 921 CB MET A 60 21.357 -5.930 -9.528 1.00 1.00 C ATOM 922 CG MET A 60 22.355 -6.755 -8.734 1.00 1.00 C ATOM 923 SD MET A 60 23.500 -7.665 -9.788 1.00 1.73 S ATOM 924 CE MET A 60 24.280 -6.323 -10.683 1.00 2.31 C ATOM 0 H MET A 60 19.393 -7.177 -8.648 1.00 0.86 H new ATOM 0 HA MET A 60 20.724 -4.756 -7.824 1.00 0.92 H new ATOM 0 HB2 MET A 60 20.883 -6.568 -10.274 1.00 1.00 H new ATOM 0 HB3 MET A 60 21.892 -5.150 -10.069 1.00 1.00 H new ATOM 0 HG2 MET A 60 22.920 -6.097 -8.074 1.00 1.00 H new ATOM 0 HG3 MET A 60 21.816 -7.458 -8.099 1.00 1.00 H new ATOM 0 HE1 MET A 60 25.184 -6.688 -11.171 1.00 2.31 H new ATOM 0 HE2 MET A 60 23.591 -5.938 -11.435 1.00 2.31 H new ATOM 0 HE3 MET A 60 24.540 -5.525 -9.988 1.00 2.31 H new ATOM 934 N LYS A 61 18.566 -4.722 -10.287 1.00 0.97 N ATOM 935 CA LYS A 61 17.778 -3.840 -11.149 1.00 1.02 C ATOM 936 C LYS A 61 16.873 -2.960 -10.318 1.00 0.96 C ATOM 937 O LYS A 61 16.771 -1.752 -10.533 1.00 0.92 O ATOM 938 CB LYS A 61 16.900 -4.641 -12.116 1.00 1.08 C ATOM 939 CG LYS A 61 17.410 -6.036 -12.444 1.00 1.55 C ATOM 940 CD LYS A 61 18.850 -6.021 -12.935 1.00 2.07 C ATOM 941 CE LYS A 61 18.969 -5.360 -14.298 1.00 2.59 C ATOM 942 NZ LYS A 61 20.358 -5.439 -14.830 1.00 3.16 N ATOM 0 H LYS A 61 18.322 -5.710 -10.359 1.00 0.97 H new ATOM 0 HA LYS A 61 18.485 -3.234 -11.716 1.00 1.02 H new ATOM 0 HB2 LYS A 61 15.901 -4.727 -11.689 1.00 1.08 H new ATOM 0 HB3 LYS A 61 16.802 -4.079 -13.045 1.00 1.08 H new ATOM 0 HG2 LYS A 61 17.337 -6.665 -11.557 1.00 1.55 H new ATOM 0 HG3 LYS A 61 16.773 -6.484 -13.206 1.00 1.55 H new ATOM 0 HD2 LYS A 61 19.475 -5.490 -12.217 1.00 2.07 H new ATOM 0 HD3 LYS A 61 19.227 -7.042 -12.991 1.00 2.07 H new ATOM 0 HE2 LYS A 61 18.284 -5.841 -14.996 1.00 2.59 H new ATOM 0 HE3 LYS A 61 18.667 -4.315 -14.223 1.00 2.59 H new ATOM 0 HZ1 LYS A 61 20.400 -4.978 -15.761 1.00 3.16 H new ATOM 0 HZ2 LYS A 61 21.008 -4.958 -14.176 1.00 3.16 H new ATOM 0 HZ3 LYS A 61 20.637 -6.436 -14.925 1.00 3.16 H new ATOM 956 N THR A 62 16.217 -3.592 -9.368 1.00 0.98 N ATOM 957 CA THR A 62 15.287 -2.907 -8.497 1.00 0.96 C ATOM 958 C THR A 62 15.933 -1.718 -7.793 1.00 0.86 C ATOM 959 O THR A 62 15.235 -0.841 -7.286 1.00 0.84 O ATOM 960 CB THR A 62 14.685 -3.877 -7.471 1.00 1.02 C ATOM 961 OG1 THR A 62 14.114 -5.003 -8.156 1.00 1.12 O ATOM 962 CG2 THR A 62 13.612 -3.191 -6.640 1.00 1.05 C ATOM 0 H THR A 62 16.313 -4.590 -9.179 1.00 0.98 H new ATOM 0 HA THR A 62 14.485 -2.519 -9.125 1.00 0.96 H new ATOM 0 HB THR A 62 15.479 -4.211 -6.803 1.00 1.02 H new ATOM 0 HG1 THR A 62 14.832 -5.578 -8.494 1.00 1.12 H new ATOM 0 HG21 THR A 62 13.201 -3.899 -5.920 1.00 1.05 H new ATOM 0 HG22 THR A 62 14.049 -2.346 -6.108 1.00 1.05 H new ATOM 0 HG23 THR A 62 12.816 -2.836 -7.295 1.00 1.05 H new ATOM 970 N LEU A 63 17.264 -1.687 -7.755 1.00 0.86 N ATOM 971 CA LEU A 63 17.971 -0.569 -7.138 1.00 0.84 C ATOM 972 C LEU A 63 17.501 0.737 -7.755 1.00 0.80 C ATOM 973 O LEU A 63 16.802 1.529 -7.123 1.00 0.89 O ATOM 974 CB LEU A 63 19.480 -0.687 -7.346 1.00 0.95 C ATOM 975 CG LEU A 63 20.259 -1.394 -6.240 1.00 0.92 C ATOM 976 CD1 LEU A 63 20.193 -2.898 -6.416 1.00 1.05 C ATOM 977 CD2 LEU A 63 21.703 -0.918 -6.240 1.00 1.40 C ATOM 0 H LEU A 63 17.867 -2.414 -8.139 1.00 0.86 H new ATOM 0 HA LEU A 63 17.756 -0.587 -6.070 1.00 0.84 H new ATOM 0 HB2 LEU A 63 19.657 -1.217 -8.282 1.00 0.95 H new ATOM 0 HB3 LEU A 63 19.889 0.316 -7.466 1.00 0.95 H new ATOM 0 HG LEU A 63 19.807 -1.147 -5.279 1.00 0.92 H new ATOM 0 HD11 LEU A 63 20.755 -3.383 -5.617 1.00 1.05 H new ATOM 0 HD12 LEU A 63 19.153 -3.224 -6.378 1.00 1.05 H new ATOM 0 HD13 LEU A 63 20.623 -3.171 -7.380 1.00 1.05 H new ATOM 0 HD21 LEU A 63 22.254 -1.426 -5.448 1.00 1.40 H new ATOM 0 HD22 LEU A 63 22.161 -1.144 -7.203 1.00 1.40 H new ATOM 0 HD23 LEU A 63 21.731 0.158 -6.068 1.00 1.40 H new ATOM 989 N ASP A 64 17.896 0.948 -9.005 1.00 0.79 N ATOM 990 CA ASP A 64 17.520 2.155 -9.726 1.00 0.82 C ATOM 991 C ASP A 64 16.004 2.283 -9.803 1.00 0.82 C ATOM 992 O ASP A 64 15.460 3.380 -9.689 1.00 0.89 O ATOM 993 CB ASP A 64 18.118 2.157 -11.129 1.00 0.91 C ATOM 994 CG ASP A 64 19.633 2.105 -11.114 1.00 1.35 C ATOM 995 OD1 ASP A 64 20.263 3.184 -11.083 1.00 1.99 O ATOM 996 OD2 ASP A 64 20.190 0.988 -11.135 1.00 2.05 O ATOM 0 H ASP A 64 18.475 0.300 -9.538 1.00 0.79 H new ATOM 0 HA ASP A 64 17.917 3.011 -9.180 1.00 0.82 H new ATOM 0 HB2 ASP A 64 17.734 1.302 -11.686 1.00 0.91 H new ATOM 0 HB3 ASP A 64 17.794 3.053 -11.658 1.00 0.91 H new ATOM 1001 N VAL A 65 15.320 1.163 -10.017 1.00 0.82 N ATOM 1002 CA VAL A 65 13.867 1.175 -10.075 1.00 0.87 C ATOM 1003 C VAL A 65 13.319 1.698 -8.754 1.00 0.77 C ATOM 1004 O VAL A 65 12.805 2.814 -8.678 1.00 0.82 O ATOM 1005 CB VAL A 65 13.291 -0.229 -10.356 1.00 0.95 C ATOM 1006 CG1 VAL A 65 11.769 -0.193 -10.352 1.00 1.06 C ATOM 1007 CG2 VAL A 65 13.813 -0.760 -11.683 1.00 1.07 C ATOM 0 H VAL A 65 15.745 0.246 -10.152 1.00 0.82 H new ATOM 0 HA VAL A 65 13.566 1.825 -10.896 1.00 0.87 H new ATOM 0 HB VAL A 65 13.618 -0.903 -9.564 1.00 0.95 H new ATOM 0 HG11 VAL A 65 11.381 -1.192 -10.552 1.00 1.06 H new ATOM 0 HG12 VAL A 65 11.416 0.145 -9.378 1.00 1.06 H new ATOM 0 HG13 VAL A 65 11.419 0.493 -11.123 1.00 1.06 H new ATOM 0 HG21 VAL A 65 13.398 -1.751 -11.867 1.00 1.07 H new ATOM 0 HG22 VAL A 65 13.515 -0.087 -12.487 1.00 1.07 H new ATOM 0 HG23 VAL A 65 14.901 -0.823 -11.647 1.00 1.07 H new ATOM 1017 N ASN A 66 13.436 0.879 -7.715 1.00 0.72 N ATOM 1018 CA ASN A 66 13.001 1.248 -6.370 1.00 0.68 C ATOM 1019 C ASN A 66 14.083 2.058 -5.654 1.00 0.57 C ATOM 1020 O ASN A 66 14.312 1.871 -4.460 1.00 0.57 O ATOM 1021 CB ASN A 66 12.709 -0.007 -5.559 1.00 0.82 C ATOM 1022 CG ASN A 66 11.694 -0.910 -6.226 1.00 0.81 C ATOM 1023 OD1 ASN A 66 11.575 -0.936 -7.450 1.00 1.51 O ATOM 1024 ND2 ASN A 66 10.956 -1.664 -5.419 1.00 1.10 N ATOM 0 H ASN A 66 13.834 -0.058 -7.779 1.00 0.72 H new ATOM 0 HA ASN A 66 12.100 1.854 -6.459 1.00 0.68 H new ATOM 0 HB2 ASN A 66 13.636 -0.560 -5.406 1.00 0.82 H new ATOM 0 HB3 ASN A 66 12.342 0.279 -4.573 1.00 0.82 H new ATOM 0 HD21 ASN A 66 10.257 -2.296 -5.809 1.00 1.10 H new ATOM 0 HD22 ASN A 66 11.088 -1.611 -4.409 1.00 1.10 H new ATOM 1031 N GLN A 67 14.731 2.969 -6.370 1.00 0.62 N ATOM 1032 CA GLN A 67 15.802 3.758 -5.800 1.00 0.68 C ATOM 1033 C GLN A 67 15.256 4.641 -4.687 1.00 0.61 C ATOM 1034 O GLN A 67 15.757 4.642 -3.562 1.00 0.66 O ATOM 1035 CB GLN A 67 16.494 4.554 -6.941 1.00 0.88 C ATOM 1036 CG GLN A 67 16.663 6.044 -6.741 1.00 0.74 C ATOM 1037 CD GLN A 67 15.612 6.900 -7.413 1.00 1.15 C ATOM 1038 OE1 GLN A 67 15.856 8.067 -7.717 1.00 1.97 O ATOM 1039 NE2 GLN A 67 14.454 6.328 -7.676 1.00 1.36 N ATOM 0 H GLN A 67 14.529 3.176 -7.348 1.00 0.62 H new ATOM 0 HA GLN A 67 16.560 3.124 -5.340 1.00 0.68 H new ATOM 0 HB2 GLN A 67 17.481 4.121 -7.104 1.00 0.88 H new ATOM 0 HB3 GLN A 67 15.922 4.399 -7.856 1.00 0.88 H new ATOM 0 HG2 GLN A 67 16.654 6.256 -5.672 1.00 0.74 H new ATOM 0 HG3 GLN A 67 17.644 6.337 -7.116 1.00 0.74 H new ATOM 0 HE21 GLN A 67 14.292 5.358 -7.407 1.00 1.36 H new ATOM 0 HE22 GLN A 67 13.720 6.856 -8.148 1.00 1.36 H new ATOM 1048 N ASP A 68 14.223 5.384 -5.026 1.00 0.59 N ATOM 1049 CA ASP A 68 13.578 6.292 -4.107 1.00 0.62 C ATOM 1050 C ASP A 68 12.465 5.590 -3.349 1.00 0.59 C ATOM 1051 O ASP A 68 11.542 6.243 -2.864 1.00 0.66 O ATOM 1052 CB ASP A 68 13.038 7.509 -4.847 1.00 0.74 C ATOM 1053 CG ASP A 68 14.138 8.417 -5.358 1.00 1.00 C ATOM 1054 OD1 ASP A 68 15.152 8.583 -4.647 1.00 1.51 O ATOM 1055 OD2 ASP A 68 13.985 8.966 -6.470 1.00 1.62 O ATOM 0 H ASP A 68 13.805 5.373 -5.956 1.00 0.59 H new ATOM 0 HA ASP A 68 14.321 6.631 -3.385 1.00 0.62 H new ATOM 0 HB2 ASP A 68 12.427 7.177 -5.686 1.00 0.74 H new ATOM 0 HB3 ASP A 68 12.386 8.074 -4.181 1.00 0.74 H new ATOM 1060 N SER A 69 12.549 4.255 -3.246 1.00 0.56 N ATOM 1061 CA SER A 69 11.540 3.459 -2.547 1.00 0.59 C ATOM 1062 C SER A 69 11.156 4.164 -1.277 1.00 0.63 C ATOM 1063 O SER A 69 10.024 4.094 -0.822 1.00 0.75 O ATOM 1064 CB SER A 69 12.076 2.065 -2.231 1.00 0.68 C ATOM 1065 OG SER A 69 13.448 2.116 -1.883 1.00 1.75 O ATOM 0 H SER A 69 13.312 3.705 -3.642 1.00 0.56 H new ATOM 0 HA SER A 69 10.665 3.347 -3.187 1.00 0.59 H new ATOM 0 HB2 SER A 69 11.505 1.629 -1.411 1.00 0.68 H new ATOM 0 HB3 SER A 69 11.940 1.415 -3.095 1.00 0.68 H new ATOM 0 HG SER A 69 13.994 2.041 -2.693 1.00 1.75 H new ATOM 1071 N GLU A 70 12.138 4.848 -0.722 1.00 0.64 N ATOM 1072 CA GLU A 70 11.927 5.642 0.455 1.00 0.76 C ATOM 1073 C GLU A 70 12.420 7.041 0.213 1.00 0.78 C ATOM 1074 O GLU A 70 13.429 7.262 -0.457 1.00 0.81 O ATOM 1075 CB GLU A 70 12.629 5.087 1.671 1.00 0.85 C ATOM 1076 CG GLU A 70 12.728 6.112 2.786 1.00 1.33 C ATOM 1077 CD GLU A 70 12.522 5.538 4.148 1.00 2.19 C ATOM 1078 OE1 GLU A 70 13.112 4.482 4.441 1.00 2.88 O ATOM 1079 OE2 GLU A 70 11.769 6.159 4.927 1.00 2.72 O ATOM 0 H GLU A 70 13.094 4.864 -1.077 1.00 0.64 H new ATOM 0 HA GLU A 70 10.856 5.631 0.655 1.00 0.76 H new ATOM 0 HB2 GLU A 70 12.092 4.210 2.031 1.00 0.85 H new ATOM 0 HB3 GLU A 70 13.630 4.756 1.393 1.00 0.85 H new ATOM 0 HG2 GLU A 70 13.709 6.586 2.746 1.00 1.33 H new ATOM 0 HG3 GLU A 70 11.988 6.894 2.615 1.00 1.33 H new ATOM 1086 N LEU A 71 11.699 7.976 0.765 1.00 0.79 N ATOM 1087 CA LEU A 71 12.056 9.339 0.621 1.00 0.83 C ATOM 1088 C LEU A 71 11.702 10.188 1.827 1.00 0.81 C ATOM 1089 O LEU A 71 10.951 9.786 2.716 1.00 0.86 O ATOM 1090 CB LEU A 71 11.434 9.894 -0.638 1.00 0.99 C ATOM 1091 CG LEU A 71 9.932 9.733 -0.728 1.00 0.79 C ATOM 1092 CD1 LEU A 71 9.538 8.259 -0.784 1.00 1.89 C ATOM 1093 CD2 LEU A 71 9.262 10.461 0.416 1.00 1.26 C ATOM 0 H LEU A 71 10.859 7.807 1.319 1.00 0.79 H new ATOM 0 HA LEU A 71 13.142 9.381 0.545 1.00 0.83 H new ATOM 0 HB2 LEU A 71 11.677 10.954 -0.709 1.00 0.99 H new ATOM 0 HB3 LEU A 71 11.890 9.404 -1.498 1.00 0.99 H new ATOM 0 HG LEU A 71 9.584 10.184 -1.658 1.00 0.79 H new ATOM 0 HD11 LEU A 71 8.453 8.175 -0.848 1.00 1.89 H new ATOM 0 HD12 LEU A 71 9.991 7.794 -1.660 1.00 1.89 H new ATOM 0 HD13 LEU A 71 9.888 7.754 0.116 1.00 1.89 H new ATOM 0 HD21 LEU A 71 8.181 10.339 0.342 1.00 1.26 H new ATOM 0 HD22 LEU A 71 9.610 10.049 1.363 1.00 1.26 H new ATOM 0 HD23 LEU A 71 9.511 11.521 0.369 1.00 1.26 H new ATOM 1105 N ARG A 72 12.280 11.363 1.822 1.00 0.77 N ATOM 1106 CA ARG A 72 12.058 12.385 2.818 1.00 0.79 C ATOM 1107 C ARG A 72 11.363 13.573 2.139 1.00 0.68 C ATOM 1108 O ARG A 72 11.018 14.557 2.793 1.00 0.75 O ATOM 1109 CB ARG A 72 13.385 12.890 3.394 1.00 0.91 C ATOM 1110 CG ARG A 72 14.537 11.905 3.342 1.00 1.00 C ATOM 1111 CD ARG A 72 14.183 10.569 3.961 1.00 1.06 C ATOM 1112 NE ARG A 72 13.442 10.722 5.211 1.00 1.30 N ATOM 1113 CZ ARG A 72 12.630 9.793 5.711 1.00 1.18 C ATOM 1114 NH1 ARG A 72 12.442 8.649 5.065 1.00 1.56 N ATOM 1115 NH2 ARG A 72 12.001 10.010 6.857 1.00 1.42 N ATOM 0 H ARG A 72 12.942 11.646 1.099 1.00 0.77 H new ATOM 0 HA ARG A 72 11.455 11.964 3.622 1.00 0.79 H new ATOM 0 HB2 ARG A 72 13.676 13.791 2.854 1.00 0.91 H new ATOM 0 HB3 ARG A 72 13.224 13.179 4.433 1.00 0.91 H new ATOM 0 HG2 ARG A 72 14.836 11.754 2.305 1.00 1.00 H new ATOM 0 HG3 ARG A 72 15.396 12.327 3.863 1.00 1.00 H new ATOM 0 HD2 ARG A 72 13.588 9.989 3.256 1.00 1.06 H new ATOM 0 HD3 ARG A 72 15.096 10.003 4.148 1.00 1.06 H new ATOM 0 HE ARG A 72 13.553 11.592 5.731 1.00 1.30 H new ATOM 0 HH11 ARG A 72 12.921 8.478 4.181 1.00 1.56 H new ATOM 0 HH12 ARG A 72 11.819 7.941 5.453 1.00 1.56 H new ATOM 0 HH21 ARG A 72 12.139 10.889 7.356 1.00 1.42 H new ATOM 0 HH22 ARG A 72 11.379 9.298 7.240 1.00 1.42 H new ATOM 1129 N PHE A 73 11.159 13.470 0.812 1.00 0.60 N ATOM 1130 CA PHE A 73 10.562 14.541 0.047 1.00 0.57 C ATOM 1131 C PHE A 73 9.267 14.075 -0.647 1.00 0.51 C ATOM 1132 O PHE A 73 8.390 13.525 0.020 1.00 0.63 O ATOM 1133 CB PHE A 73 11.614 15.158 -0.910 1.00 0.64 C ATOM 1134 CG PHE A 73 12.062 14.333 -2.105 1.00 0.58 C ATOM 1135 CD1 PHE A 73 12.514 13.016 -1.998 1.00 1.36 C ATOM 1136 CD2 PHE A 73 12.029 14.915 -3.364 1.00 1.24 C ATOM 1137 CE1 PHE A 73 12.908 12.317 -3.129 1.00 1.44 C ATOM 1138 CE2 PHE A 73 12.424 14.219 -4.483 1.00 1.31 C ATOM 1139 CZ PHE A 73 12.860 12.920 -4.365 1.00 0.86 C ATOM 0 H PHE A 73 11.405 12.647 0.262 1.00 0.60 H new ATOM 0 HA PHE A 73 10.249 15.343 0.716 1.00 0.57 H new ATOM 0 HB2 PHE A 73 11.212 16.099 -1.286 1.00 0.64 H new ATOM 0 HB3 PHE A 73 12.499 15.401 -0.322 1.00 0.64 H new ATOM 0 HD1 PHE A 73 12.557 12.540 -1.030 1.00 1.36 H new ATOM 0 HD2 PHE A 73 11.687 15.934 -3.468 1.00 1.24 H new ATOM 0 HE1 PHE A 73 13.253 11.298 -3.040 1.00 1.44 H new ATOM 0 HE2 PHE A 73 12.392 14.692 -5.453 1.00 1.31 H new ATOM 0 HZ PHE A 73 13.165 12.372 -5.244 1.00 0.86 H new ATOM 1149 N SER A 74 9.118 14.283 -1.958 1.00 0.48 N ATOM 1150 CA SER A 74 7.887 13.889 -2.634 1.00 0.46 C ATOM 1151 C SER A 74 8.012 12.625 -3.453 1.00 0.42 C ATOM 1152 O SER A 74 7.180 12.358 -4.319 1.00 0.47 O ATOM 1153 CB SER A 74 7.367 15.018 -3.516 1.00 0.60 C ATOM 1154 OG SER A 74 8.401 15.545 -4.329 1.00 1.01 O ATOM 0 H SER A 74 9.821 14.713 -2.559 1.00 0.48 H new ATOM 0 HA SER A 74 7.176 13.677 -1.836 1.00 0.46 H new ATOM 0 HB2 SER A 74 6.557 14.649 -4.145 1.00 0.60 H new ATOM 0 HB3 SER A 74 6.951 15.809 -2.892 1.00 0.60 H new ATOM 0 HG SER A 74 8.043 16.267 -4.887 1.00 1.01 H new ATOM 1160 N GLU A 75 9.024 11.839 -3.178 1.00 0.43 N ATOM 1161 CA GLU A 75 9.191 10.586 -3.881 1.00 0.42 C ATOM 1162 C GLU A 75 8.231 9.528 -3.321 1.00 0.42 C ATOM 1163 O GLU A 75 8.204 8.406 -3.804 1.00 0.55 O ATOM 1164 CB GLU A 75 10.638 10.107 -3.715 1.00 0.44 C ATOM 1165 CG GLU A 75 11.523 10.192 -4.945 1.00 0.60 C ATOM 1166 CD GLU A 75 11.122 11.268 -5.940 1.00 0.93 C ATOM 1167 OE1 GLU A 75 10.439 12.235 -5.539 1.00 1.60 O ATOM 1168 OE2 GLU A 75 11.513 11.151 -7.119 1.00 1.42 O ATOM 0 H GLU A 75 9.740 12.040 -2.479 1.00 0.43 H new ATOM 0 HA GLU A 75 8.968 10.735 -4.937 1.00 0.42 H new ATOM 0 HB2 GLU A 75 11.102 10.690 -2.920 1.00 0.44 H new ATOM 0 HB3 GLU A 75 10.618 9.070 -3.380 1.00 0.44 H new ATOM 0 HG2 GLU A 75 12.549 10.375 -4.626 1.00 0.60 H new ATOM 0 HG3 GLU A 75 11.514 9.226 -5.451 1.00 0.60 H new ATOM 1175 N TYR A 76 7.455 9.900 -2.280 1.00 0.38 N ATOM 1176 CA TYR A 76 6.528 8.978 -1.610 1.00 0.38 C ATOM 1177 C TYR A 76 5.776 8.077 -2.568 1.00 0.39 C ATOM 1178 O TYR A 76 5.317 7.007 -2.177 1.00 0.43 O ATOM 1179 CB TYR A 76 5.566 9.728 -0.681 1.00 0.40 C ATOM 1180 CG TYR A 76 6.066 9.871 0.738 1.00 0.41 C ATOM 1181 CD1 TYR A 76 6.956 8.960 1.288 1.00 1.29 C ATOM 1182 CD2 TYR A 76 5.678 10.951 1.514 1.00 1.22 C ATOM 1183 CE1 TYR A 76 7.442 9.109 2.547 1.00 1.30 C ATOM 1184 CE2 TYR A 76 6.162 11.110 2.797 1.00 1.25 C ATOM 1185 CZ TYR A 76 7.049 10.186 3.313 1.00 0.49 C ATOM 1186 OH TYR A 76 7.541 10.342 4.588 1.00 0.55 O ATOM 0 H TYR A 76 7.457 10.841 -1.887 1.00 0.38 H new ATOM 0 HA TYR A 76 7.149 8.320 -1.002 1.00 0.38 H new ATOM 0 HB2 TYR A 76 5.381 10.721 -1.092 1.00 0.40 H new ATOM 0 HB3 TYR A 76 4.610 9.205 -0.667 1.00 0.40 H new ATOM 0 HD1 TYR A 76 7.270 8.111 0.700 1.00 1.29 H new ATOM 0 HD2 TYR A 76 4.988 11.678 1.110 1.00 1.22 H new ATOM 0 HE1 TYR A 76 8.136 8.385 2.948 1.00 1.30 H new ATOM 0 HE2 TYR A 76 5.848 11.953 3.394 1.00 1.25 H new ATOM 0 HH TYR A 76 7.163 11.153 4.988 1.00 0.55 H new ATOM 1196 N TRP A 77 5.659 8.479 -3.818 1.00 0.39 N ATOM 1197 CA TRP A 77 5.003 7.627 -4.803 1.00 0.43 C ATOM 1198 C TRP A 77 5.828 6.361 -5.012 1.00 0.45 C ATOM 1199 O TRP A 77 5.378 5.436 -5.678 1.00 0.49 O ATOM 1200 CB TRP A 77 4.855 8.320 -6.154 1.00 0.44 C ATOM 1201 CG TRP A 77 6.165 8.762 -6.705 1.00 0.44 C ATOM 1202 CD1 TRP A 77 7.176 7.955 -7.120 1.00 0.49 C ATOM 1203 CD2 TRP A 77 6.618 10.105 -6.886 1.00 0.45 C ATOM 1204 NE1 TRP A 77 8.230 8.707 -7.556 1.00 0.52 N ATOM 1205 CE2 TRP A 77 7.911 10.036 -7.428 1.00 0.50 C ATOM 1206 CE3 TRP A 77 6.054 11.358 -6.652 1.00 0.46 C ATOM 1207 CZ2 TRP A 77 8.649 11.177 -7.735 1.00 0.55 C ATOM 1208 CZ3 TRP A 77 6.782 12.487 -6.953 1.00 0.51 C ATOM 1209 CH2 TRP A 77 8.069 12.393 -7.493 1.00 0.55 C ATOM 0 H TRP A 77 6.000 9.371 -4.176 1.00 0.39 H new ATOM 0 HA TRP A 77 4.010 7.395 -4.417 1.00 0.43 H new ATOM 0 HB2 TRP A 77 4.377 7.640 -6.859 1.00 0.44 H new ATOM 0 HB3 TRP A 77 4.198 9.183 -6.048 1.00 0.44 H new ATOM 0 HD1 TRP A 77 7.150 6.875 -7.107 1.00 0.49 H new ATOM 0 HE1 TRP A 77 9.111 8.341 -7.918 1.00 0.52 H new ATOM 0 HE3 TRP A 77 5.059 11.442 -6.240 1.00 0.46 H new ATOM 0 HZ2 TRP A 77 9.644 11.105 -8.149 1.00 0.55 H new ATOM 0 HZ3 TRP A 77 6.353 13.461 -6.769 1.00 0.51 H new ATOM 0 HH2 TRP A 77 8.615 13.296 -7.723 1.00 0.55 H new ATOM 1220 N ARG A 78 7.043 6.318 -4.454 1.00 0.43 N ATOM 1221 CA ARG A 78 7.893 5.163 -4.612 1.00 0.47 C ATOM 1222 C ARG A 78 7.400 4.088 -3.665 1.00 0.49 C ATOM 1223 O ARG A 78 7.444 2.900 -3.979 1.00 0.61 O ATOM 1224 CB ARG A 78 9.358 5.552 -4.371 1.00 0.50 C ATOM 1225 CG ARG A 78 9.891 6.540 -5.394 1.00 0.60 C ATOM 1226 CD ARG A 78 10.471 5.839 -6.614 1.00 0.77 C ATOM 1227 NE ARG A 78 9.430 5.346 -7.514 1.00 1.48 N ATOM 1228 CZ ARG A 78 9.682 4.701 -8.648 1.00 1.75 C ATOM 1229 NH1 ARG A 78 10.933 4.475 -9.021 1.00 1.37 N ATOM 1230 NH2 ARG A 78 8.680 4.284 -9.410 1.00 2.82 N ATOM 0 H ARG A 78 7.446 7.071 -3.895 1.00 0.43 H new ATOM 0 HA ARG A 78 7.847 4.771 -5.628 1.00 0.47 H new ATOM 0 HB2 ARG A 78 9.453 5.984 -3.375 1.00 0.50 H new ATOM 0 HB3 ARG A 78 9.974 4.653 -4.389 1.00 0.50 H new ATOM 0 HG2 ARG A 78 9.088 7.207 -5.707 1.00 0.60 H new ATOM 0 HG3 ARG A 78 10.659 7.161 -4.933 1.00 0.60 H new ATOM 0 HD2 ARG A 78 11.119 6.530 -7.154 1.00 0.77 H new ATOM 0 HD3 ARG A 78 11.094 5.005 -6.290 1.00 0.77 H new ATOM 0 HE ARG A 78 8.456 5.506 -7.257 1.00 1.48 H new ATOM 0 HH11 ARG A 78 11.705 4.796 -8.437 1.00 1.37 H new ATOM 0 HH12 ARG A 78 11.124 3.980 -9.892 1.00 1.37 H new ATOM 0 HH21 ARG A 78 7.716 4.458 -9.126 1.00 2.82 H new ATOM 0 HH22 ARG A 78 8.873 3.789 -10.281 1.00 2.82 H new ATOM 1244 N LEU A 79 6.920 4.522 -2.497 1.00 0.43 N ATOM 1245 CA LEU A 79 6.325 3.610 -1.539 1.00 0.46 C ATOM 1246 C LEU A 79 5.059 3.014 -2.145 1.00 0.47 C ATOM 1247 O LEU A 79 4.642 1.911 -1.796 1.00 0.53 O ATOM 1248 CB LEU A 79 5.906 4.328 -0.253 1.00 0.55 C ATOM 1249 CG LEU A 79 6.762 5.504 0.223 1.00 0.63 C ATOM 1250 CD1 LEU A 79 6.023 6.218 1.343 1.00 1.24 C ATOM 1251 CD2 LEU A 79 8.114 5.026 0.713 1.00 0.89 C ATOM 0 H LEU A 79 6.935 5.498 -2.200 1.00 0.43 H new ATOM 0 HA LEU A 79 7.071 2.850 -1.305 1.00 0.46 H new ATOM 0 HB2 LEU A 79 4.887 4.690 -0.389 1.00 0.55 H new ATOM 0 HB3 LEU A 79 5.878 3.589 0.548 1.00 0.55 H new ATOM 0 HG LEU A 79 6.932 6.186 -0.610 1.00 0.63 H new ATOM 0 HD11 LEU A 79 6.620 7.060 1.694 1.00 1.24 H new ATOM 0 HD12 LEU A 79 5.065 6.582 0.972 1.00 1.24 H new ATOM 0 HD13 LEU A 79 5.853 5.525 2.167 1.00 1.24 H new ATOM 0 HD21 LEU A 79 8.703 5.880 1.046 1.00 0.89 H new ATOM 0 HD22 LEU A 79 7.976 4.335 1.544 1.00 0.89 H new ATOM 0 HD23 LEU A 79 8.636 4.519 -0.098 1.00 0.89 H new ATOM 1263 N ILE A 80 4.450 3.774 -3.055 1.00 0.46 N ATOM 1264 CA ILE A 80 3.209 3.379 -3.696 1.00 0.49 C ATOM 1265 C ILE A 80 3.180 1.898 -4.084 1.00 0.49 C ATOM 1266 O ILE A 80 2.266 1.171 -3.697 1.00 0.51 O ATOM 1267 CB ILE A 80 2.886 4.305 -4.911 1.00 0.53 C ATOM 1268 CG1 ILE A 80 1.380 4.558 -5.009 1.00 0.60 C ATOM 1269 CG2 ILE A 80 3.394 3.734 -6.226 1.00 0.57 C ATOM 1270 CD1 ILE A 80 0.796 5.246 -3.795 1.00 1.16 C ATOM 0 H ILE A 80 4.807 4.678 -3.364 1.00 0.46 H new ATOM 0 HA ILE A 80 2.419 3.507 -2.956 1.00 0.49 H new ATOM 0 HB ILE A 80 3.406 5.247 -4.735 1.00 0.53 H new ATOM 0 HG12 ILE A 80 1.180 5.166 -5.891 1.00 0.60 H new ATOM 0 HG13 ILE A 80 0.870 3.606 -5.156 1.00 0.60 H new ATOM 0 HG21 ILE A 80 3.144 4.415 -7.039 1.00 0.57 H new ATOM 0 HG22 ILE A 80 4.476 3.611 -6.175 1.00 0.57 H new ATOM 0 HG23 ILE A 80 2.927 2.766 -6.407 1.00 0.57 H new ATOM 0 HD11 ILE A 80 -0.275 5.391 -3.939 1.00 1.16 H new ATOM 0 HD12 ILE A 80 0.963 4.630 -2.912 1.00 1.16 H new ATOM 0 HD13 ILE A 80 1.278 6.214 -3.658 1.00 1.16 H new ATOM 1282 N GLY A 81 4.170 1.456 -4.843 1.00 0.48 N ATOM 1283 CA GLY A 81 4.212 0.065 -5.241 1.00 0.49 C ATOM 1284 C GLY A 81 4.740 -0.827 -4.135 1.00 0.43 C ATOM 1285 O GLY A 81 4.739 -2.052 -4.258 1.00 0.43 O ATOM 0 H GLY A 81 4.939 2.030 -5.188 1.00 0.48 H new ATOM 0 HA2 GLY A 81 3.211 -0.262 -5.523 1.00 0.49 H new ATOM 0 HA3 GLY A 81 4.843 -0.041 -6.124 1.00 0.49 H new ATOM 1289 N GLU A 82 5.192 -0.209 -3.045 1.00 0.41 N ATOM 1290 CA GLU A 82 5.740 -0.952 -1.917 1.00 0.39 C ATOM 1291 C GLU A 82 4.640 -1.449 -1.002 1.00 0.33 C ATOM 1292 O GLU A 82 4.552 -2.636 -0.704 1.00 0.34 O ATOM 1293 CB GLU A 82 6.685 -0.080 -1.119 1.00 0.43 C ATOM 1294 CG GLU A 82 7.821 0.501 -1.937 1.00 0.46 C ATOM 1295 CD GLU A 82 8.989 0.923 -1.070 1.00 0.71 C ATOM 1296 OE1 GLU A 82 8.905 1.997 -0.443 1.00 1.39 O ATOM 1297 OE2 GLU A 82 9.985 0.171 -1.010 1.00 1.47 O ATOM 0 H GLU A 82 5.189 0.803 -2.921 1.00 0.41 H new ATOM 0 HA GLU A 82 6.280 -1.808 -2.321 1.00 0.39 H new ATOM 0 HB2 GLU A 82 6.119 0.736 -0.670 1.00 0.43 H new ATOM 0 HB3 GLU A 82 7.102 -0.667 -0.301 1.00 0.43 H new ATOM 0 HG2 GLU A 82 8.158 -0.237 -2.664 1.00 0.46 H new ATOM 0 HG3 GLU A 82 7.459 1.361 -2.500 1.00 0.46 H new ATOM 1304 N LEU A 83 3.822 -0.517 -0.515 1.00 0.34 N ATOM 1305 CA LEU A 83 2.722 -0.870 0.371 1.00 0.35 C ATOM 1306 C LEU A 83 1.886 -1.962 -0.263 1.00 0.35 C ATOM 1307 O LEU A 83 1.112 -2.632 0.410 1.00 0.43 O ATOM 1308 CB LEU A 83 1.864 0.350 0.695 1.00 0.43 C ATOM 1309 CG LEU A 83 2.509 1.361 1.647 1.00 0.50 C ATOM 1310 CD1 LEU A 83 3.671 2.073 0.975 1.00 1.26 C ATOM 1311 CD2 LEU A 83 1.473 2.358 2.135 1.00 1.31 C ATOM 0 H LEU A 83 3.902 0.479 -0.719 1.00 0.34 H new ATOM 0 HA LEU A 83 3.135 -1.239 1.310 1.00 0.35 H new ATOM 0 HB2 LEU A 83 1.616 0.858 -0.237 1.00 0.43 H new ATOM 0 HB3 LEU A 83 0.925 0.009 1.132 1.00 0.43 H new ATOM 0 HG LEU A 83 2.902 0.822 2.509 1.00 0.50 H new ATOM 0 HD11 LEU A 83 4.113 2.786 1.671 1.00 1.26 H new ATOM 0 HD12 LEU A 83 4.423 1.342 0.678 1.00 1.26 H new ATOM 0 HD13 LEU A 83 3.312 2.603 0.093 1.00 1.26 H new ATOM 0 HD21 LEU A 83 1.945 3.071 2.811 1.00 1.31 H new ATOM 0 HD22 LEU A 83 1.051 2.890 1.283 1.00 1.31 H new ATOM 0 HD23 LEU A 83 0.679 1.829 2.662 1.00 1.31 H new ATOM 1323 N ALA A 84 1.995 -2.087 -1.579 1.00 0.34 N ATOM 1324 CA ALA A 84 1.317 -3.146 -2.284 1.00 0.37 C ATOM 1325 C ALA A 84 2.150 -4.421 -2.193 1.00 0.41 C ATOM 1326 O ALA A 84 1.618 -5.517 -2.063 1.00 0.48 O ATOM 1327 CB ALA A 84 1.083 -2.753 -3.732 1.00 0.42 C ATOM 0 H ALA A 84 2.547 -1.466 -2.171 1.00 0.34 H new ATOM 0 HA ALA A 84 0.344 -3.324 -1.827 1.00 0.37 H new ATOM 0 HB1 ALA A 84 0.570 -3.563 -4.251 1.00 0.42 H new ATOM 0 HB2 ALA A 84 0.470 -1.852 -3.770 1.00 0.42 H new ATOM 0 HB3 ALA A 84 2.040 -2.561 -4.216 1.00 0.42 H new ATOM 1333 N LYS A 85 3.473 -4.249 -2.256 1.00 0.42 N ATOM 1334 CA LYS A 85 4.426 -5.358 -2.165 1.00 0.51 C ATOM 1335 C LYS A 85 3.991 -6.375 -1.125 1.00 0.50 C ATOM 1336 O LYS A 85 4.299 -7.556 -1.224 1.00 0.67 O ATOM 1337 CB LYS A 85 5.806 -4.822 -1.811 1.00 0.62 C ATOM 1338 CG LYS A 85 6.922 -5.521 -2.554 1.00 1.18 C ATOM 1339 CD LYS A 85 6.920 -5.164 -4.035 1.00 1.42 C ATOM 1340 CE LYS A 85 7.294 -3.703 -4.270 1.00 1.55 C ATOM 1341 NZ LYS A 85 7.222 -3.343 -5.713 1.00 2.69 N ATOM 0 H LYS A 85 3.914 -3.336 -2.372 1.00 0.42 H new ATOM 0 HA LYS A 85 4.460 -5.856 -3.134 1.00 0.51 H new ATOM 0 HB2 LYS A 85 5.843 -3.755 -2.032 1.00 0.62 H new ATOM 0 HB3 LYS A 85 5.967 -4.931 -0.739 1.00 0.62 H new ATOM 0 HG2 LYS A 85 7.881 -5.246 -2.114 1.00 1.18 H new ATOM 0 HG3 LYS A 85 6.816 -6.600 -2.439 1.00 1.18 H new ATOM 0 HD2 LYS A 85 7.622 -5.808 -4.564 1.00 1.42 H new ATOM 0 HD3 LYS A 85 5.932 -5.358 -4.454 1.00 1.42 H new ATOM 0 HE2 LYS A 85 6.624 -3.059 -3.700 1.00 1.55 H new ATOM 0 HE3 LYS A 85 8.303 -3.521 -3.899 1.00 1.55 H new ATOM 0 HZ1 LYS A 85 7.482 -2.344 -5.835 1.00 2.69 H new ATOM 0 HZ2 LYS A 85 7.880 -3.941 -6.253 1.00 2.69 H new ATOM 0 HZ3 LYS A 85 6.253 -3.493 -6.060 1.00 2.69 H new ATOM 1355 N GLU A 86 3.319 -5.895 -0.102 1.00 0.45 N ATOM 1356 CA GLU A 86 2.821 -6.747 0.949 1.00 0.45 C ATOM 1357 C GLU A 86 1.482 -7.381 0.564 1.00 0.44 C ATOM 1358 O GLU A 86 1.266 -8.574 0.777 1.00 0.46 O ATOM 1359 CB GLU A 86 2.681 -5.950 2.248 1.00 0.48 C ATOM 1360 CG GLU A 86 2.282 -4.506 2.043 1.00 0.98 C ATOM 1361 CD GLU A 86 1.631 -3.877 3.260 1.00 2.08 C ATOM 1362 OE1 GLU A 86 0.747 -4.522 3.861 1.00 2.91 O ATOM 1363 OE2 GLU A 86 2.005 -2.738 3.607 1.00 2.61 O ATOM 0 H GLU A 86 3.104 -4.906 0.022 1.00 0.45 H new ATOM 0 HA GLU A 86 3.539 -7.553 1.101 1.00 0.45 H new ATOM 0 HB2 GLU A 86 1.939 -6.435 2.882 1.00 0.48 H new ATOM 0 HB3 GLU A 86 3.629 -5.982 2.786 1.00 0.48 H new ATOM 0 HG2 GLU A 86 3.166 -3.928 1.775 1.00 0.98 H new ATOM 0 HG3 GLU A 86 1.593 -4.444 1.200 1.00 0.98 H new ATOM 1370 N VAL A 87 0.586 -6.577 -0.008 1.00 0.44 N ATOM 1371 CA VAL A 87 -0.742 -7.054 -0.394 1.00 0.46 C ATOM 1372 C VAL A 87 -0.740 -7.802 -1.726 1.00 0.47 C ATOM 1373 O VAL A 87 -1.658 -8.568 -2.018 1.00 0.54 O ATOM 1374 CB VAL A 87 -1.748 -5.887 -0.470 1.00 0.54 C ATOM 1375 CG1 VAL A 87 -3.168 -6.406 -0.644 1.00 1.00 C ATOM 1376 CG2 VAL A 87 -1.647 -5.017 0.771 1.00 0.81 C ATOM 0 H VAL A 87 0.755 -5.593 -0.214 1.00 0.44 H new ATOM 0 HA VAL A 87 -1.046 -7.755 0.383 1.00 0.46 H new ATOM 0 HB VAL A 87 -1.500 -5.280 -1.340 1.00 0.54 H new ATOM 0 HG11 VAL A 87 -3.859 -5.565 -0.695 1.00 1.00 H new ATOM 0 HG12 VAL A 87 -3.233 -6.986 -1.565 1.00 1.00 H new ATOM 0 HG13 VAL A 87 -3.430 -7.040 0.203 1.00 1.00 H new ATOM 0 HG21 VAL A 87 -2.363 -4.199 0.701 1.00 0.81 H new ATOM 0 HG22 VAL A 87 -1.866 -5.617 1.654 1.00 0.81 H new ATOM 0 HG23 VAL A 87 -0.639 -4.611 0.849 1.00 0.81 H new ATOM 1386 N ARG A 88 0.290 -7.591 -2.526 1.00 0.50 N ATOM 1387 CA ARG A 88 0.380 -8.243 -3.833 1.00 0.52 C ATOM 1388 C ARG A 88 0.300 -9.764 -3.714 1.00 0.50 C ATOM 1389 O ARG A 88 -0.724 -10.366 -4.025 1.00 0.59 O ATOM 1390 CB ARG A 88 1.673 -7.843 -4.542 1.00 0.56 C ATOM 1391 CG ARG A 88 1.778 -8.400 -5.949 1.00 0.67 C ATOM 1392 CD ARG A 88 3.022 -7.891 -6.661 1.00 1.33 C ATOM 1393 NE ARG A 88 3.177 -8.479 -7.989 1.00 1.83 N ATOM 1394 CZ ARG A 88 4.183 -8.188 -8.809 1.00 2.72 C ATOM 1395 NH1 ARG A 88 5.117 -7.324 -8.435 1.00 3.25 N ATOM 1396 NH2 ARG A 88 4.256 -8.762 -10.003 1.00 3.50 N ATOM 0 H ARG A 88 1.074 -6.979 -2.301 1.00 0.50 H new ATOM 0 HA ARG A 88 -0.473 -7.907 -4.423 1.00 0.52 H new ATOM 0 HB2 ARG A 88 1.736 -6.756 -4.583 1.00 0.56 H new ATOM 0 HB3 ARG A 88 2.524 -8.190 -3.956 1.00 0.56 H new ATOM 0 HG2 ARG A 88 1.801 -9.489 -5.909 1.00 0.67 H new ATOM 0 HG3 ARG A 88 0.892 -8.120 -6.519 1.00 0.67 H new ATOM 0 HD2 ARG A 88 2.969 -6.806 -6.750 1.00 1.33 H new ATOM 0 HD3 ARG A 88 3.902 -8.119 -6.059 1.00 1.33 H new ATOM 0 HE ARG A 88 2.476 -9.149 -8.305 1.00 1.83 H new ATOM 0 HH11 ARG A 88 5.065 -6.882 -7.517 1.00 3.25 H new ATOM 0 HH12 ARG A 88 5.888 -7.102 -9.065 1.00 3.25 H new ATOM 0 HH21 ARG A 88 3.540 -9.428 -10.293 1.00 3.50 H new ATOM 0 HH22 ARG A 88 5.028 -8.538 -10.630 1.00 3.50 H new ATOM 1410 N LYS A 89 1.386 -10.369 -3.256 1.00 0.47 N ATOM 1411 CA LYS A 89 1.458 -11.817 -3.095 1.00 0.49 C ATOM 1412 C LYS A 89 0.366 -12.267 -2.153 1.00 0.49 C ATOM 1413 O LYS A 89 -0.170 -13.369 -2.269 1.00 0.55 O ATOM 1414 CB LYS A 89 2.831 -12.251 -2.562 1.00 0.56 C ATOM 1415 CG LYS A 89 3.269 -11.532 -1.291 1.00 0.70 C ATOM 1416 CD LYS A 89 4.542 -10.717 -1.505 1.00 1.55 C ATOM 1417 CE LYS A 89 4.466 -9.775 -2.702 1.00 2.44 C ATOM 1418 NZ LYS A 89 5.734 -9.025 -2.896 1.00 3.29 N ATOM 0 H LYS A 89 2.237 -9.876 -2.987 1.00 0.47 H new ATOM 0 HA LYS A 89 1.320 -12.284 -4.070 1.00 0.49 H new ATOM 0 HB2 LYS A 89 2.810 -13.324 -2.369 1.00 0.56 H new ATOM 0 HB3 LYS A 89 3.578 -12.081 -3.337 1.00 0.56 H new ATOM 0 HG2 LYS A 89 2.469 -10.873 -0.953 1.00 0.70 H new ATOM 0 HG3 LYS A 89 3.435 -12.263 -0.500 1.00 0.70 H new ATOM 0 HD2 LYS A 89 4.747 -10.135 -0.607 1.00 1.55 H new ATOM 0 HD3 LYS A 89 5.382 -11.398 -1.641 1.00 1.55 H new ATOM 0 HE2 LYS A 89 4.241 -10.348 -3.602 1.00 2.44 H new ATOM 0 HE3 LYS A 89 3.646 -9.071 -2.559 1.00 2.44 H new ATOM 0 HZ1 LYS A 89 5.610 -8.323 -3.654 1.00 3.29 H new ATOM 0 HZ2 LYS A 89 5.989 -8.539 -2.012 1.00 3.29 H new ATOM 0 HZ3 LYS A 89 6.492 -9.687 -3.158 1.00 3.29 H new ATOM 1432 N GLU A 90 0.042 -11.388 -1.218 1.00 0.47 N ATOM 1433 CA GLU A 90 -1.006 -11.647 -0.260 1.00 0.52 C ATOM 1434 C GLU A 90 -2.367 -11.696 -0.955 1.00 0.55 C ATOM 1435 O GLU A 90 -3.364 -12.092 -0.353 1.00 0.62 O ATOM 1436 CB GLU A 90 -0.976 -10.575 0.830 1.00 0.55 C ATOM 1437 CG GLU A 90 0.154 -10.775 1.816 1.00 0.62 C ATOM 1438 CD GLU A 90 0.063 -12.097 2.552 1.00 1.26 C ATOM 1439 OE1 GLU A 90 -0.580 -12.138 3.622 1.00 1.95 O ATOM 1440 OE2 GLU A 90 0.635 -13.092 2.060 1.00 1.97 O ATOM 0 H GLU A 90 0.498 -10.482 -1.107 1.00 0.47 H new ATOM 0 HA GLU A 90 -0.841 -12.619 0.205 1.00 0.52 H new ATOM 0 HB2 GLU A 90 -0.878 -9.594 0.366 1.00 0.55 H new ATOM 0 HB3 GLU A 90 -1.925 -10.581 1.366 1.00 0.55 H new ATOM 0 HG2 GLU A 90 1.106 -10.724 1.287 1.00 0.62 H new ATOM 0 HG3 GLU A 90 0.147 -9.960 2.540 1.00 0.62 H new ATOM 1447 N LYS A 91 -2.403 -11.291 -2.231 1.00 0.54 N ATOM 1448 CA LYS A 91 -3.636 -11.314 -2.993 1.00 0.61 C ATOM 1449 C LYS A 91 -4.180 -12.734 -3.091 1.00 0.63 C ATOM 1450 O LYS A 91 -5.330 -12.995 -2.754 1.00 0.70 O ATOM 1451 CB LYS A 91 -3.431 -10.708 -4.380 1.00 0.62 C ATOM 1452 CG LYS A 91 -2.752 -11.621 -5.391 1.00 0.61 C ATOM 1453 CD LYS A 91 -2.496 -10.899 -6.703 1.00 0.67 C ATOM 1454 CE LYS A 91 -1.778 -11.794 -7.699 1.00 0.70 C ATOM 1455 NZ LYS A 91 -1.501 -11.087 -8.980 1.00 1.38 N ATOM 0 H LYS A 91 -1.592 -10.947 -2.746 1.00 0.54 H new ATOM 0 HA LYS A 91 -4.372 -10.705 -2.469 1.00 0.61 H new ATOM 0 HB2 LYS A 91 -4.402 -10.411 -4.777 1.00 0.62 H new ATOM 0 HB3 LYS A 91 -2.837 -9.800 -4.278 1.00 0.62 H new ATOM 0 HG2 LYS A 91 -1.808 -11.982 -4.982 1.00 0.61 H new ATOM 0 HG3 LYS A 91 -3.377 -12.496 -5.571 1.00 0.61 H new ATOM 0 HD2 LYS A 91 -3.443 -10.567 -7.128 1.00 0.67 H new ATOM 0 HD3 LYS A 91 -1.899 -10.006 -6.518 1.00 0.67 H new ATOM 0 HE2 LYS A 91 -0.840 -12.141 -7.265 1.00 0.70 H new ATOM 0 HE3 LYS A 91 -2.384 -12.678 -7.896 1.00 0.70 H new ATOM 0 HZ1 LYS A 91 -1.010 -11.731 -9.633 1.00 1.38 H new ATOM 0 HZ2 LYS A 91 -2.398 -10.778 -9.407 1.00 1.38 H new ATOM 0 HZ3 LYS A 91 -0.901 -10.258 -8.796 1.00 1.38 H new ATOM 1469 N ALA A 92 -3.339 -13.642 -3.557 1.00 0.61 N ATOM 1470 CA ALA A 92 -3.705 -15.046 -3.691 1.00 0.66 C ATOM 1471 C ALA A 92 -3.585 -15.791 -2.364 1.00 0.64 C ATOM 1472 O ALA A 92 -4.104 -16.893 -2.224 1.00 0.70 O ATOM 1473 CB ALA A 92 -2.843 -15.711 -4.755 1.00 0.75 C ATOM 0 H ALA A 92 -2.386 -13.430 -3.853 1.00 0.61 H new ATOM 0 HA ALA A 92 -4.750 -15.091 -3.997 1.00 0.66 H new ATOM 0 HB1 ALA A 92 -3.124 -16.760 -4.848 1.00 0.75 H new ATOM 0 HB2 ALA A 92 -2.993 -15.209 -5.711 1.00 0.75 H new ATOM 0 HB3 ALA A 92 -1.793 -15.641 -4.469 1.00 0.75 H new ATOM 1479 N LEU A 93 -2.865 -15.211 -1.406 1.00 0.62 N ATOM 1480 CA LEU A 93 -2.714 -15.836 -0.092 1.00 0.66 C ATOM 1481 C LEU A 93 -3.924 -15.542 0.778 1.00 0.59 C ATOM 1482 O LEU A 93 -4.267 -16.323 1.665 1.00 0.64 O ATOM 1483 CB LEU A 93 -1.424 -15.375 0.601 1.00 0.75 C ATOM 1484 CG LEU A 93 -0.846 -16.390 1.589 1.00 0.82 C ATOM 1485 CD1 LEU A 93 0.668 -16.264 1.660 1.00 1.03 C ATOM 1486 CD2 LEU A 93 -1.457 -16.199 2.970 1.00 0.95 C ATOM 0 H LEU A 93 -2.381 -14.319 -1.512 1.00 0.62 H new ATOM 0 HA LEU A 93 -2.644 -16.914 -0.239 1.00 0.66 H new ATOM 0 HB2 LEU A 93 -0.674 -15.157 -0.160 1.00 0.75 H new ATOM 0 HB3 LEU A 93 -1.622 -14.442 1.129 1.00 0.75 H new ATOM 0 HG LEU A 93 -1.094 -17.391 1.235 1.00 0.82 H new ATOM 0 HD11 LEU A 93 1.061 -16.994 2.368 1.00 1.03 H new ATOM 0 HD12 LEU A 93 1.095 -16.448 0.674 1.00 1.03 H new ATOM 0 HD13 LEU A 93 0.934 -15.260 1.989 1.00 1.03 H new ATOM 0 HD21 LEU A 93 -1.034 -16.930 3.659 1.00 0.95 H new ATOM 0 HD22 LEU A 93 -1.239 -15.193 3.329 1.00 0.95 H new ATOM 0 HD23 LEU A 93 -2.537 -16.337 2.912 1.00 0.95 H new ATOM 1498 N GLY A 94 -4.580 -14.420 0.513 1.00 0.53 N ATOM 1499 CA GLY A 94 -5.757 -14.060 1.277 1.00 0.52 C ATOM 1500 C GLY A 94 -6.731 -15.203 1.388 1.00 0.52 C ATOM 1501 O GLY A 94 -7.233 -15.491 2.468 1.00 0.57 O ATOM 0 H GLY A 94 -4.319 -13.755 -0.215 1.00 0.53 H new ATOM 0 HA2 GLY A 94 -5.457 -13.741 2.275 1.00 0.52 H new ATOM 0 HA3 GLY A 94 -6.249 -13.209 0.805 1.00 0.52 H new ATOM 1505 N ILE A 95 -7.013 -15.825 0.249 1.00 0.54 N ATOM 1506 CA ILE A 95 -7.939 -16.947 0.188 1.00 0.57 C ATOM 1507 C ILE A 95 -7.488 -18.082 1.091 1.00 0.61 C ATOM 1508 O ILE A 95 -6.943 -19.084 0.630 1.00 0.67 O ATOM 1509 CB ILE A 95 -8.066 -17.475 -1.246 1.00 0.63 C ATOM 1510 CG1 ILE A 95 -9.041 -18.655 -1.304 1.00 1.32 C ATOM 1511 CG2 ILE A 95 -6.695 -17.875 -1.741 1.00 1.09 C ATOM 1512 CD1 ILE A 95 -9.470 -19.020 -2.709 1.00 1.68 C ATOM 0 H ILE A 95 -6.609 -15.567 -0.651 1.00 0.54 H new ATOM 0 HA ILE A 95 -8.908 -16.581 0.528 1.00 0.57 H new ATOM 0 HB ILE A 95 -8.466 -16.693 -1.891 1.00 0.63 H new ATOM 0 HG12 ILE A 95 -8.575 -19.523 -0.839 1.00 1.32 H new ATOM 0 HG13 ILE A 95 -9.925 -18.414 -0.714 1.00 1.32 H new ATOM 0 HG21 ILE A 95 -6.772 -18.252 -2.761 1.00 1.09 H new ATOM 0 HG22 ILE A 95 -6.035 -17.008 -1.724 1.00 1.09 H new ATOM 0 HG23 ILE A 95 -6.288 -18.654 -1.096 1.00 1.09 H new ATOM 0 HD11 ILE A 95 -10.160 -19.863 -2.671 1.00 1.68 H new ATOM 0 HD12 ILE A 95 -9.966 -18.166 -3.171 1.00 1.68 H new ATOM 0 HD13 ILE A 95 -8.594 -19.293 -3.297 1.00 1.68 H new ATOM 1524 N ARG A 96 -7.709 -17.910 2.379 1.00 0.64 N ATOM 1525 CA ARG A 96 -7.342 -18.925 3.350 1.00 0.74 C ATOM 1526 C ARG A 96 -8.194 -20.158 3.124 1.00 0.82 C ATOM 1527 O ARG A 96 -7.757 -21.288 3.343 1.00 0.93 O ATOM 1528 CB ARG A 96 -7.502 -18.408 4.778 1.00 0.84 C ATOM 1529 CG ARG A 96 -8.880 -17.841 5.080 1.00 1.65 C ATOM 1530 CD ARG A 96 -8.854 -16.324 5.120 1.00 2.45 C ATOM 1531 NE ARG A 96 -8.099 -15.820 6.263 1.00 2.91 N ATOM 1532 CZ ARG A 96 -7.976 -14.529 6.553 1.00 3.85 C ATOM 1533 NH1 ARG A 96 -8.559 -13.616 5.786 1.00 4.47 N ATOM 1534 NH2 ARG A 96 -7.273 -14.149 7.610 1.00 4.48 N ATOM 0 H ARG A 96 -8.141 -17.077 2.779 1.00 0.64 H new ATOM 0 HA ARG A 96 -6.291 -19.181 3.216 1.00 0.74 H new ATOM 0 HB2 ARG A 96 -7.295 -19.222 5.473 1.00 0.84 H new ATOM 0 HB3 ARG A 96 -6.755 -17.635 4.960 1.00 0.84 H new ATOM 0 HG2 ARG A 96 -9.588 -18.175 4.321 1.00 1.65 H new ATOM 0 HG3 ARG A 96 -9.233 -18.226 6.037 1.00 1.65 H new ATOM 0 HD2 ARG A 96 -8.413 -15.945 4.198 1.00 2.45 H new ATOM 0 HD3 ARG A 96 -9.875 -15.945 5.164 1.00 2.45 H new ATOM 0 HE ARG A 96 -7.640 -16.496 6.873 1.00 2.91 H new ATOM 0 HH11 ARG A 96 -9.102 -13.905 4.973 1.00 4.47 H new ATOM 0 HH12 ARG A 96 -8.464 -12.625 6.010 1.00 4.47 H new ATOM 0 HH21 ARG A 96 -6.825 -14.848 8.203 1.00 4.48 H new ATOM 0 HH22 ARG A 96 -7.180 -13.158 7.831 1.00 4.48 H new ATOM 1548 N LYS A 97 -9.423 -19.922 2.682 1.00 0.83 N ATOM 1549 CA LYS A 97 -10.347 -21.000 2.380 1.00 0.95 C ATOM 1550 C LYS A 97 -9.948 -21.647 1.058 1.00 0.94 C ATOM 1551 O LYS A 97 -10.506 -21.335 0.006 1.00 0.98 O ATOM 1552 CB LYS A 97 -11.781 -20.459 2.297 1.00 1.06 C ATOM 1553 CG LYS A 97 -11.889 -19.145 1.529 1.00 0.99 C ATOM 1554 CD LYS A 97 -12.924 -19.222 0.420 1.00 1.56 C ATOM 1555 CE LYS A 97 -12.846 -17.995 -0.468 1.00 1.85 C ATOM 1556 NZ LYS A 97 -12.622 -18.353 -1.895 1.00 2.92 N ATOM 0 H LYS A 97 -9.801 -18.988 2.525 1.00 0.83 H new ATOM 0 HA LYS A 97 -10.307 -21.746 3.173 1.00 0.95 H new ATOM 0 HB2 LYS A 97 -12.416 -21.205 1.818 1.00 1.06 H new ATOM 0 HB3 LYS A 97 -12.166 -20.314 3.306 1.00 1.06 H new ATOM 0 HG2 LYS A 97 -12.153 -18.342 2.218 1.00 0.99 H new ATOM 0 HG3 LYS A 97 -10.918 -18.892 1.103 1.00 0.99 H new ATOM 0 HD2 LYS A 97 -12.761 -20.120 -0.176 1.00 1.56 H new ATOM 0 HD3 LYS A 97 -13.922 -19.303 0.851 1.00 1.56 H new ATOM 0 HE2 LYS A 97 -13.770 -17.423 -0.378 1.00 1.85 H new ATOM 0 HE3 LYS A 97 -12.037 -17.350 -0.125 1.00 1.85 H new ATOM 0 HZ1 LYS A 97 -12.119 -17.578 -2.373 1.00 2.92 H new ATOM 0 HZ2 LYS A 97 -12.052 -19.221 -1.950 1.00 2.92 H new ATOM 0 HZ3 LYS A 97 -13.538 -18.511 -2.361 1.00 2.92 H new ATOM 1570 N LYS A 98 -8.971 -22.545 1.123 1.00 0.97 N ATOM 1571 CA LYS A 98 -8.478 -23.236 -0.063 1.00 1.06 C ATOM 1572 C LYS A 98 -8.853 -24.714 -0.034 1.00 1.22 C ATOM 1573 O LYS A 98 -8.071 -25.511 0.527 1.00 1.61 O ATOM 1574 CB LYS A 98 -6.957 -23.072 -0.173 1.00 1.08 C ATOM 1575 CG LYS A 98 -6.532 -21.815 -0.921 1.00 1.07 C ATOM 1576 CD LYS A 98 -6.588 -22.026 -2.426 1.00 1.51 C ATOM 1577 CE LYS A 98 -6.211 -20.764 -3.187 1.00 2.00 C ATOM 1578 NZ LYS A 98 -6.114 -21.008 -4.653 1.00 2.74 N ATOM 1579 OXT LYS A 98 -9.926 -25.062 -0.572 1.00 1.70 O ATOM 0 H LYS A 98 -8.503 -22.812 1.989 1.00 0.97 H new ATOM 0 HA LYS A 98 -8.948 -22.789 -0.939 1.00 1.06 H new ATOM 0 HB2 LYS A 98 -6.529 -23.051 0.829 1.00 1.08 H new ATOM 0 HB3 LYS A 98 -6.542 -23.944 -0.679 1.00 1.08 H new ATOM 0 HG2 LYS A 98 -7.182 -20.986 -0.643 1.00 1.07 H new ATOM 0 HG3 LYS A 98 -5.519 -21.539 -0.627 1.00 1.07 H new ATOM 0 HD2 LYS A 98 -5.912 -22.834 -2.705 1.00 1.51 H new ATOM 0 HD3 LYS A 98 -7.593 -22.337 -2.712 1.00 1.51 H new ATOM 0 HE2 LYS A 98 -6.954 -19.989 -2.996 1.00 2.00 H new ATOM 0 HE3 LYS A 98 -5.257 -20.389 -2.817 1.00 2.00 H new ATOM 0 HZ1 LYS A 98 -5.855 -20.124 -5.136 1.00 2.74 H new ATOM 0 HZ2 LYS A 98 -5.387 -21.729 -4.838 1.00 2.74 H new ATOM 0 HZ3 LYS A 98 -7.032 -21.342 -5.011 1.00 2.74 H new TER 1593 LYS A 98 ATOM 1594 N MET B 1 18.626 -4.114 -2.887 1.00 0.65 N ATOM 1595 CA MET B 1 17.872 -5.362 -3.189 1.00 0.59 C ATOM 1596 C MET B 1 16.523 -5.053 -3.811 1.00 0.59 C ATOM 1597 O MET B 1 16.181 -3.895 -4.048 1.00 0.60 O ATOM 1598 CB MET B 1 17.628 -6.177 -1.912 1.00 0.58 C ATOM 1599 CG MET B 1 18.812 -6.998 -1.379 1.00 0.60 C ATOM 1600 SD MET B 1 20.355 -6.811 -2.322 1.00 0.94 S ATOM 1601 CE MET B 1 21.417 -8.027 -1.549 1.00 1.18 C ATOM 0 H1 MET B 1 19.598 -4.355 -2.607 1.00 0.65 H new ATOM 0 H2 MET B 1 18.649 -3.509 -3.733 1.00 0.65 H new ATOM 0 H3 MET B 1 18.158 -3.605 -2.110 1.00 0.65 H new ATOM 0 HA MET B 1 18.479 -5.935 -3.890 1.00 0.59 H new ATOM 0 HB2 MET B 1 17.309 -5.491 -1.127 1.00 0.58 H new ATOM 0 HB3 MET B 1 16.798 -6.858 -2.097 1.00 0.58 H new ATOM 0 HG2 MET B 1 18.998 -6.711 -0.344 1.00 0.60 H new ATOM 0 HG3 MET B 1 18.532 -8.051 -1.373 1.00 0.60 H new ATOM 0 HE1 MET B 1 22.370 -8.066 -2.077 1.00 1.18 H new ATOM 0 HE2 MET B 1 21.590 -7.750 -0.509 1.00 1.18 H new ATOM 0 HE3 MET B 1 20.939 -9.006 -1.589 1.00 1.18 H new ATOM 1613 N ALA B 2 15.770 -6.107 -4.095 1.00 0.61 N ATOM 1614 CA ALA B 2 14.441 -5.955 -4.658 1.00 0.64 C ATOM 1615 C ALA B 2 13.369 -6.414 -3.684 1.00 0.62 C ATOM 1616 O ALA B 2 13.620 -7.229 -2.798 1.00 0.71 O ATOM 1617 CB ALA B 2 14.285 -6.688 -5.977 1.00 0.72 C ATOM 0 H ALA B 2 16.059 -7.074 -3.944 1.00 0.61 H new ATOM 0 HA ALA B 2 14.313 -4.890 -4.849 1.00 0.64 H new ATOM 0 HB1 ALA B 2 13.274 -6.543 -6.356 1.00 0.72 H new ATOM 0 HB2 ALA B 2 15.003 -6.296 -6.698 1.00 0.72 H new ATOM 0 HB3 ALA B 2 14.467 -7.752 -5.826 1.00 0.72 H new ATOM 1623 N ALA B 3 12.180 -5.877 -3.857 1.00 0.73 N ATOM 1624 CA ALA B 3 11.046 -6.224 -3.022 1.00 0.75 C ATOM 1625 C ALA B 3 10.360 -7.473 -3.569 1.00 0.65 C ATOM 1626 O ALA B 3 9.311 -7.388 -4.209 1.00 0.81 O ATOM 1627 CB ALA B 3 10.091 -5.053 -2.976 1.00 1.04 C ATOM 0 H ALA B 3 11.971 -5.188 -4.579 1.00 0.73 H new ATOM 0 HA ALA B 3 11.382 -6.443 -2.008 1.00 0.75 H new ATOM 0 HB1 ALA B 3 9.235 -5.306 -2.350 1.00 1.04 H new ATOM 0 HB2 ALA B 3 10.601 -4.184 -2.560 1.00 1.04 H new ATOM 0 HB3 ALA B 3 9.747 -4.824 -3.985 1.00 1.04 H new ATOM 1633 N GLU B 4 10.967 -8.635 -3.324 1.00 0.62 N ATOM 1634 CA GLU B 4 10.404 -9.901 -3.808 1.00 0.75 C ATOM 1635 C GLU B 4 9.085 -10.199 -3.094 1.00 0.74 C ATOM 1636 O GLU B 4 8.027 -9.804 -3.577 1.00 0.86 O ATOM 1637 CB GLU B 4 11.386 -11.087 -3.663 1.00 0.97 C ATOM 1638 CG GLU B 4 12.578 -10.858 -2.740 1.00 1.45 C ATOM 1639 CD GLU B 4 12.176 -10.440 -1.345 1.00 2.42 C ATOM 1640 OE1 GLU B 4 11.707 -11.304 -0.577 1.00 3.02 O ATOM 1641 OE2 GLU B 4 12.313 -9.243 -1.033 1.00 3.20 O ATOM 0 H GLU B 4 11.837 -8.729 -2.800 1.00 0.62 H new ATOM 0 HA GLU B 4 10.217 -9.782 -4.875 1.00 0.75 H new ATOM 0 HB2 GLU B 4 10.830 -11.951 -3.299 1.00 0.97 H new ATOM 0 HB3 GLU B 4 11.762 -11.345 -4.653 1.00 0.97 H new ATOM 0 HG2 GLU B 4 13.167 -11.774 -2.683 1.00 1.45 H new ATOM 0 HG3 GLU B 4 13.222 -10.091 -3.171 1.00 1.45 H new ATOM 1648 N THR B 5 9.130 -10.896 -1.960 1.00 0.70 N ATOM 1649 CA THR B 5 7.913 -11.186 -1.213 1.00 0.75 C ATOM 1650 C THR B 5 7.344 -9.890 -0.601 1.00 0.62 C ATOM 1651 O THR B 5 7.535 -8.812 -1.162 1.00 0.79 O ATOM 1652 CB THR B 5 8.169 -12.233 -0.110 1.00 0.92 C ATOM 1653 OG1 THR B 5 9.156 -13.174 -0.547 1.00 1.42 O ATOM 1654 CG2 THR B 5 6.881 -12.972 0.246 1.00 1.08 C ATOM 0 H THR B 5 9.985 -11.265 -1.545 1.00 0.70 H new ATOM 0 HA THR B 5 7.182 -11.603 -1.906 1.00 0.75 H new ATOM 0 HB THR B 5 8.530 -11.712 0.777 1.00 0.92 H new ATOM 0 HG1 THR B 5 10.046 -12.862 -0.281 1.00 1.42 H new ATOM 0 HG21 THR B 5 7.086 -13.705 1.026 1.00 1.08 H new ATOM 0 HG22 THR B 5 6.139 -12.258 0.605 1.00 1.08 H new ATOM 0 HG23 THR B 5 6.497 -13.481 -0.638 1.00 1.08 H new ATOM 1662 N LEU B 6 6.670 -9.980 0.552 1.00 0.54 N ATOM 1663 CA LEU B 6 6.083 -8.809 1.182 1.00 0.50 C ATOM 1664 C LEU B 6 7.146 -8.029 1.919 1.00 0.49 C ATOM 1665 O LEU B 6 7.803 -8.564 2.808 1.00 0.56 O ATOM 1666 CB LEU B 6 5.019 -9.182 2.222 1.00 0.60 C ATOM 1667 CG LEU B 6 3.903 -10.144 1.805 1.00 0.75 C ATOM 1668 CD1 LEU B 6 4.424 -11.561 1.631 1.00 1.15 C ATOM 1669 CD2 LEU B 6 2.806 -10.130 2.857 1.00 1.07 C ATOM 0 H LEU B 6 6.522 -10.852 1.060 1.00 0.54 H new ATOM 0 HA LEU B 6 5.630 -8.226 0.380 1.00 0.50 H new ATOM 0 HB2 LEU B 6 5.531 -9.618 3.080 1.00 0.60 H new ATOM 0 HB3 LEU B 6 4.552 -8.259 2.565 1.00 0.60 H new ATOM 0 HG LEU B 6 3.508 -9.811 0.845 1.00 0.75 H new ATOM 0 HD11 LEU B 6 3.605 -12.216 1.335 1.00 1.15 H new ATOM 0 HD12 LEU B 6 5.195 -11.573 0.860 1.00 1.15 H new ATOM 0 HD13 LEU B 6 4.847 -11.911 2.573 1.00 1.15 H new ATOM 0 HD21 LEU B 6 2.010 -10.814 2.562 1.00 1.07 H new ATOM 0 HD22 LEU B 6 3.218 -10.444 3.816 1.00 1.07 H new ATOM 0 HD23 LEU B 6 2.402 -9.122 2.948 1.00 1.07 H new ATOM 1681 N THR B 7 7.322 -6.771 1.580 1.00 0.50 N ATOM 1682 CA THR B 7 8.293 -5.980 2.294 1.00 0.53 C ATOM 1683 C THR B 7 7.773 -5.755 3.702 1.00 0.48 C ATOM 1684 O THR B 7 6.604 -6.019 3.971 1.00 0.55 O ATOM 1685 CB THR B 7 8.586 -4.635 1.596 1.00 0.60 C ATOM 1686 OG1 THR B 7 7.366 -4.065 1.106 1.00 0.83 O ATOM 1687 CG2 THR B 7 9.576 -4.804 0.438 1.00 0.80 C ATOM 0 H THR B 7 6.820 -6.286 0.836 1.00 0.50 H new ATOM 0 HA THR B 7 9.240 -6.520 2.317 1.00 0.53 H new ATOM 0 HB THR B 7 9.037 -3.969 2.332 1.00 0.60 H new ATOM 0 HG1 THR B 7 7.546 -3.175 0.737 1.00 0.83 H new ATOM 0 HG21 THR B 7 9.758 -3.836 -0.029 1.00 0.80 H new ATOM 0 HG22 THR B 7 10.515 -5.206 0.818 1.00 0.80 H new ATOM 0 HG23 THR B 7 9.160 -5.490 -0.299 1.00 0.80 H new ATOM 1695 N GLU B 8 8.628 -5.275 4.604 1.00 0.46 N ATOM 1696 CA GLU B 8 8.225 -5.044 6.000 1.00 0.45 C ATOM 1697 C GLU B 8 6.822 -4.446 6.077 1.00 0.41 C ATOM 1698 O GLU B 8 6.094 -4.645 7.049 1.00 0.42 O ATOM 1699 CB GLU B 8 9.220 -4.123 6.707 1.00 0.50 C ATOM 1700 CG GLU B 8 10.673 -4.420 6.365 1.00 0.52 C ATOM 1701 CD GLU B 8 11.651 -3.715 7.284 1.00 1.09 C ATOM 1702 OE1 GLU B 8 11.420 -3.719 8.511 1.00 1.67 O ATOM 1703 OE2 GLU B 8 12.648 -3.160 6.776 1.00 1.94 O ATOM 0 H GLU B 8 9.599 -5.038 4.400 1.00 0.46 H new ATOM 0 HA GLU B 8 8.218 -6.011 6.504 1.00 0.45 H new ATOM 0 HB2 GLU B 8 8.997 -3.089 6.442 1.00 0.50 H new ATOM 0 HB3 GLU B 8 9.083 -4.213 7.785 1.00 0.50 H new ATOM 0 HG2 GLU B 8 10.841 -5.496 6.420 1.00 0.52 H new ATOM 0 HG3 GLU B 8 10.868 -4.119 5.336 1.00 0.52 H new ATOM 1710 N LEU B 9 6.466 -3.712 5.035 1.00 0.41 N ATOM 1711 CA LEU B 9 5.155 -3.086 4.930 1.00 0.40 C ATOM 1712 C LEU B 9 4.046 -4.078 5.230 1.00 0.38 C ATOM 1713 O LEU B 9 2.948 -3.690 5.615 1.00 0.40 O ATOM 1714 CB LEU B 9 4.974 -2.500 3.532 1.00 0.46 C ATOM 1715 CG LEU B 9 6.238 -1.835 2.968 1.00 0.58 C ATOM 1716 CD1 LEU B 9 5.926 -1.028 1.732 1.00 0.93 C ATOM 1717 CD2 LEU B 9 6.921 -0.979 4.028 1.00 0.93 C ATOM 0 H LEU B 9 7.076 -3.533 4.238 1.00 0.41 H new ATOM 0 HA LEU B 9 5.097 -2.286 5.668 1.00 0.40 H new ATOM 0 HB2 LEU B 9 4.659 -3.293 2.854 1.00 0.46 H new ATOM 0 HB3 LEU B 9 4.169 -1.765 3.558 1.00 0.46 H new ATOM 0 HG LEU B 9 6.931 -2.625 2.678 1.00 0.58 H new ATOM 0 HD11 LEU B 9 6.841 -0.570 1.356 1.00 0.93 H new ATOM 0 HD12 LEU B 9 5.507 -1.682 0.967 1.00 0.93 H new ATOM 0 HD13 LEU B 9 5.205 -0.249 1.979 1.00 0.93 H new ATOM 0 HD21 LEU B 9 7.814 -0.519 3.604 1.00 0.93 H new ATOM 0 HD22 LEU B 9 6.236 -0.201 4.364 1.00 0.93 H new ATOM 0 HD23 LEU B 9 7.203 -1.605 4.875 1.00 0.93 H new ATOM 1729 N GLU B 10 4.326 -5.366 5.047 1.00 0.38 N ATOM 1730 CA GLU B 10 3.333 -6.393 5.347 1.00 0.39 C ATOM 1731 C GLU B 10 2.813 -6.183 6.760 1.00 0.38 C ATOM 1732 O GLU B 10 1.645 -6.426 7.047 1.00 0.40 O ATOM 1733 CB GLU B 10 3.921 -7.796 5.202 1.00 0.45 C ATOM 1734 CG GLU B 10 5.408 -7.882 5.509 1.00 0.45 C ATOM 1735 CD GLU B 10 5.753 -9.049 6.412 1.00 0.55 C ATOM 1736 OE1 GLU B 10 5.999 -10.155 5.887 1.00 1.16 O ATOM 1737 OE2 GLU B 10 5.780 -8.856 7.646 1.00 1.26 O ATOM 0 H GLU B 10 5.217 -5.719 4.698 1.00 0.38 H new ATOM 0 HA GLU B 10 2.513 -6.306 4.634 1.00 0.39 H new ATOM 0 HB2 GLU B 10 3.384 -8.473 5.866 1.00 0.45 H new ATOM 0 HB3 GLU B 10 3.750 -8.146 4.184 1.00 0.45 H new ATOM 0 HG2 GLU B 10 5.963 -7.974 4.575 1.00 0.45 H new ATOM 0 HG3 GLU B 10 5.731 -6.954 5.982 1.00 0.45 H new ATOM 1744 N ALA B 11 3.696 -5.725 7.641 1.00 0.39 N ATOM 1745 CA ALA B 11 3.309 -5.433 9.012 1.00 0.39 C ATOM 1746 C ALA B 11 2.258 -4.344 8.992 1.00 0.36 C ATOM 1747 O ALA B 11 1.327 -4.335 9.797 1.00 0.39 O ATOM 1748 CB ALA B 11 4.513 -5.006 9.837 1.00 0.42 C ATOM 0 H ALA B 11 4.678 -5.550 7.430 1.00 0.39 H new ATOM 0 HA ALA B 11 2.901 -6.331 9.476 1.00 0.39 H new ATOM 0 HB1 ALA B 11 4.197 -4.793 10.858 1.00 0.42 H new ATOM 0 HB2 ALA B 11 5.251 -5.808 9.845 1.00 0.42 H new ATOM 0 HB3 ALA B 11 4.955 -4.110 9.400 1.00 0.42 H new ATOM 1754 N ALA B 12 2.424 -3.423 8.050 1.00 0.33 N ATOM 1755 CA ALA B 12 1.480 -2.337 7.873 1.00 0.32 C ATOM 1756 C ALA B 12 0.141 -2.900 7.423 1.00 0.33 C ATOM 1757 O ALA B 12 -0.905 -2.301 7.665 1.00 0.34 O ATOM 1758 CB ALA B 12 2.005 -1.322 6.868 1.00 0.34 C ATOM 0 H ALA B 12 3.208 -3.411 7.397 1.00 0.33 H new ATOM 0 HA ALA B 12 1.348 -1.821 8.824 1.00 0.32 H new ATOM 0 HB1 ALA B 12 1.280 -0.517 6.752 1.00 0.34 H new ATOM 0 HB2 ALA B 12 2.949 -0.911 7.225 1.00 0.34 H new ATOM 0 HB3 ALA B 12 2.162 -1.810 5.906 1.00 0.34 H new ATOM 1764 N ILE B 13 0.181 -4.065 6.767 1.00 0.36 N ATOM 1765 CA ILE B 13 -1.040 -4.712 6.310 1.00 0.40 C ATOM 1766 C ILE B 13 -2.021 -4.834 7.480 1.00 0.39 C ATOM 1767 O ILE B 13 -3.235 -4.869 7.293 1.00 0.42 O ATOM 1768 CB ILE B 13 -0.756 -6.106 5.667 1.00 0.47 C ATOM 1769 CG1 ILE B 13 -1.722 -6.352 4.503 1.00 0.90 C ATOM 1770 CG2 ILE B 13 -0.850 -7.255 6.675 1.00 0.99 C ATOM 1771 CD1 ILE B 13 -3.159 -6.543 4.937 1.00 2.05 C ATOM 0 H ILE B 13 1.039 -4.570 6.545 1.00 0.36 H new ATOM 0 HA ILE B 13 -1.485 -4.094 5.530 1.00 0.40 H new ATOM 0 HB ILE B 13 0.271 -6.085 5.302 1.00 0.47 H new ATOM 0 HG12 ILE B 13 -1.669 -5.509 3.814 1.00 0.90 H new ATOM 0 HG13 ILE B 13 -1.397 -7.235 3.953 1.00 0.90 H new ATOM 0 HG21 ILE B 13 -0.643 -8.199 6.171 1.00 0.99 H new ATOM 0 HG22 ILE B 13 -0.121 -7.101 7.471 1.00 0.99 H new ATOM 0 HG23 ILE B 13 -1.853 -7.284 7.102 1.00 0.99 H new ATOM 0 HD11 ILE B 13 -3.784 -6.712 4.060 1.00 2.05 H new ATOM 0 HD12 ILE B 13 -3.227 -7.403 5.603 1.00 2.05 H new ATOM 0 HD13 ILE B 13 -3.502 -5.651 5.461 1.00 2.05 H new ATOM 1783 N GLU B 14 -1.459 -4.892 8.691 1.00 0.39 N ATOM 1784 CA GLU B 14 -2.245 -5.007 9.910 1.00 0.42 C ATOM 1785 C GLU B 14 -3.066 -3.749 10.162 1.00 0.38 C ATOM 1786 O GLU B 14 -4.185 -3.829 10.671 1.00 0.46 O ATOM 1787 CB GLU B 14 -1.329 -5.279 11.106 1.00 0.46 C ATOM 1788 CG GLU B 14 -0.485 -6.534 10.953 1.00 0.79 C ATOM 1789 CD GLU B 14 0.437 -6.763 12.133 1.00 1.46 C ATOM 1790 OE1 GLU B 14 0.003 -7.412 13.108 1.00 2.02 O ATOM 1791 OE2 GLU B 14 1.595 -6.296 12.083 1.00 2.25 O ATOM 0 H GLU B 14 -0.452 -4.860 8.847 1.00 0.39 H new ATOM 0 HA GLU B 14 -2.934 -5.842 9.785 1.00 0.42 H new ATOM 0 HB2 GLU B 14 -0.670 -4.423 11.250 1.00 0.46 H new ATOM 0 HB3 GLU B 14 -1.937 -5.368 12.006 1.00 0.46 H new ATOM 0 HG2 GLU B 14 -1.141 -7.397 10.836 1.00 0.79 H new ATOM 0 HG3 GLU B 14 0.109 -6.459 10.042 1.00 0.79 H new ATOM 1798 N THR B 15 -2.520 -2.583 9.820 1.00 0.30 N ATOM 1799 CA THR B 15 -3.240 -1.353 10.017 1.00 0.28 C ATOM 1800 C THR B 15 -4.289 -1.181 8.934 1.00 0.28 C ATOM 1801 O THR B 15 -5.484 -1.191 9.202 1.00 0.34 O ATOM 1802 CB THR B 15 -2.311 -0.131 10.008 1.00 0.28 C ATOM 1803 OG1 THR B 15 -1.259 -0.296 10.966 1.00 0.29 O ATOM 1804 CG2 THR B 15 -3.094 1.136 10.321 1.00 0.32 C ATOM 0 H THR B 15 -1.592 -2.477 9.411 1.00 0.30 H new ATOM 0 HA THR B 15 -3.714 -1.415 10.997 1.00 0.28 H new ATOM 0 HB THR B 15 -1.876 -0.042 9.013 1.00 0.28 H new ATOM 0 HG1 THR B 15 -0.394 -0.137 10.533 1.00 0.29 H new ATOM 0 HG21 THR B 15 -2.420 1.992 10.310 1.00 0.32 H new ATOM 0 HG22 THR B 15 -3.872 1.278 9.571 1.00 0.32 H new ATOM 0 HG23 THR B 15 -3.552 1.047 11.306 1.00 0.32 H new ATOM 1812 N VAL B 16 -3.820 -1.048 7.702 1.00 0.27 N ATOM 1813 CA VAL B 16 -4.697 -0.877 6.549 1.00 0.28 C ATOM 1814 C VAL B 16 -5.859 -1.871 6.579 1.00 0.30 C ATOM 1815 O VAL B 16 -6.986 -1.527 6.225 1.00 0.36 O ATOM 1816 CB VAL B 16 -3.892 -1.037 5.243 1.00 0.30 C ATOM 1817 CG1 VAL B 16 -3.103 -2.327 5.274 1.00 0.33 C ATOM 1818 CG2 VAL B 16 -4.787 -1.002 4.012 1.00 0.33 C ATOM 0 H VAL B 16 -2.826 -1.055 7.472 1.00 0.27 H new ATOM 0 HA VAL B 16 -5.116 0.128 6.591 1.00 0.28 H new ATOM 0 HB VAL B 16 -3.207 -0.192 5.175 1.00 0.30 H new ATOM 0 HG11 VAL B 16 -2.538 -2.430 4.347 1.00 0.33 H new ATOM 0 HG12 VAL B 16 -2.415 -2.312 6.119 1.00 0.33 H new ATOM 0 HG13 VAL B 16 -3.787 -3.169 5.378 1.00 0.33 H new ATOM 0 HG21 VAL B 16 -4.178 -1.118 3.116 1.00 0.33 H new ATOM 0 HG22 VAL B 16 -5.512 -1.814 4.066 1.00 0.33 H new ATOM 0 HG23 VAL B 16 -5.313 -0.048 3.972 1.00 0.33 H new ATOM 1828 N VAL B 17 -5.582 -3.100 6.999 1.00 0.31 N ATOM 1829 CA VAL B 17 -6.617 -4.121 7.080 1.00 0.33 C ATOM 1830 C VAL B 17 -7.553 -3.817 8.250 1.00 0.30 C ATOM 1831 O VAL B 17 -8.764 -4.021 8.173 1.00 0.33 O ATOM 1832 CB VAL B 17 -6.018 -5.535 7.252 1.00 0.43 C ATOM 1833 CG1 VAL B 17 -5.390 -5.704 8.627 1.00 0.45 C ATOM 1834 CG2 VAL B 17 -7.082 -6.595 7.012 1.00 0.50 C ATOM 0 H VAL B 17 -4.654 -3.412 7.287 1.00 0.31 H new ATOM 0 HA VAL B 17 -7.172 -4.104 6.142 1.00 0.33 H new ATOM 0 HB VAL B 17 -5.230 -5.660 6.510 1.00 0.43 H new ATOM 0 HG11 VAL B 17 -4.977 -6.709 8.718 1.00 0.45 H new ATOM 0 HG12 VAL B 17 -4.593 -4.972 8.756 1.00 0.45 H new ATOM 0 HG13 VAL B 17 -6.149 -5.553 9.395 1.00 0.45 H new ATOM 0 HG21 VAL B 17 -6.644 -7.585 7.137 1.00 0.50 H new ATOM 0 HG22 VAL B 17 -7.894 -6.464 7.728 1.00 0.50 H new ATOM 0 HG23 VAL B 17 -7.472 -6.496 5.999 1.00 0.50 H new ATOM 1844 N SER B 18 -6.965 -3.339 9.344 1.00 0.33 N ATOM 1845 CA SER B 18 -7.720 -2.999 10.544 1.00 0.40 C ATOM 1846 C SER B 18 -8.351 -1.606 10.453 1.00 0.44 C ATOM 1847 O SER B 18 -9.151 -1.230 11.305 1.00 0.59 O ATOM 1848 CB SER B 18 -6.817 -3.079 11.775 1.00 0.51 C ATOM 1849 OG SER B 18 -6.297 -4.386 11.943 1.00 1.32 O ATOM 0 H SER B 18 -5.961 -3.178 9.422 1.00 0.33 H new ATOM 0 HA SER B 18 -8.529 -3.724 10.634 1.00 0.40 H new ATOM 0 HB2 SER B 18 -5.997 -2.368 11.675 1.00 0.51 H new ATOM 0 HB3 SER B 18 -7.381 -2.792 12.663 1.00 0.51 H new ATOM 0 HG SER B 18 -5.541 -4.518 11.334 1.00 1.32 H new ATOM 1855 N THR B 19 -7.927 -0.810 9.476 1.00 0.37 N ATOM 1856 CA THR B 19 -8.480 0.531 9.298 1.00 0.45 C ATOM 1857 C THR B 19 -9.754 0.529 8.457 1.00 0.46 C ATOM 1858 O THR B 19 -10.856 0.387 8.987 1.00 0.53 O ATOM 1859 CB THR B 19 -7.461 1.519 8.692 1.00 0.45 C ATOM 1860 OG1 THR B 19 -6.981 1.038 7.428 1.00 0.42 O ATOM 1861 CG2 THR B 19 -6.290 1.741 9.636 1.00 0.49 C ATOM 0 H THR B 19 -7.208 -1.066 8.800 1.00 0.37 H new ATOM 0 HA THR B 19 -8.730 0.872 10.303 1.00 0.45 H new ATOM 0 HB THR B 19 -7.971 2.470 8.540 1.00 0.45 H new ATOM 0 HG1 THR B 19 -7.185 0.083 7.342 1.00 0.42 H new ATOM 0 HG21 THR B 19 -5.587 2.441 9.185 1.00 0.49 H new ATOM 0 HG22 THR B 19 -6.655 2.150 10.578 1.00 0.49 H new ATOM 0 HG23 THR B 19 -5.788 0.792 9.822 1.00 0.49 H new ATOM 1869 N PHE B 20 -9.599 0.690 7.141 1.00 0.45 N ATOM 1870 CA PHE B 20 -10.738 0.727 6.241 1.00 0.53 C ATOM 1871 C PHE B 20 -11.330 -0.644 6.034 1.00 0.53 C ATOM 1872 O PHE B 20 -12.543 -0.819 6.126 1.00 0.68 O ATOM 1873 CB PHE B 20 -10.331 1.315 4.889 1.00 0.60 C ATOM 1874 CG PHE B 20 -11.413 1.238 3.849 1.00 0.72 C ATOM 1875 CD1 PHE B 20 -12.746 1.253 4.220 1.00 1.26 C ATOM 1876 CD2 PHE B 20 -11.092 1.139 2.507 1.00 1.59 C ATOM 1877 CE1 PHE B 20 -13.742 1.175 3.272 1.00 1.37 C ATOM 1878 CE2 PHE B 20 -12.086 1.060 1.551 1.00 1.77 C ATOM 1879 CZ PHE B 20 -13.410 1.081 1.936 1.00 1.18 C ATOM 0 H PHE B 20 -8.694 0.796 6.682 1.00 0.45 H new ATOM 0 HA PHE B 20 -11.495 1.361 6.703 1.00 0.53 H new ATOM 0 HB2 PHE B 20 -10.045 2.358 5.027 1.00 0.60 H new ATOM 0 HB3 PHE B 20 -9.449 0.788 4.524 1.00 0.60 H new ATOM 0 HD1 PHE B 20 -13.008 1.327 5.265 1.00 1.26 H new ATOM 0 HD2 PHE B 20 -10.055 1.123 2.204 1.00 1.59 H new ATOM 0 HE1 PHE B 20 -14.779 1.187 3.573 1.00 1.37 H new ATOM 0 HE2 PHE B 20 -11.827 0.982 0.505 1.00 1.77 H new ATOM 0 HZ PHE B 20 -14.189 1.024 1.190 1.00 1.18 H new ATOM 1889 N PHE B 21 -10.471 -1.614 5.782 1.00 0.44 N ATOM 1890 CA PHE B 21 -10.913 -2.967 5.533 1.00 0.47 C ATOM 1891 C PHE B 21 -11.781 -3.511 6.667 1.00 0.49 C ATOM 1892 O PHE B 21 -12.282 -4.624 6.609 1.00 0.63 O ATOM 1893 CB PHE B 21 -9.711 -3.861 5.188 1.00 0.47 C ATOM 1894 CG PHE B 21 -8.857 -3.311 4.071 1.00 0.45 C ATOM 1895 CD1 PHE B 21 -9.270 -2.215 3.325 1.00 1.39 C ATOM 1896 CD2 PHE B 21 -7.626 -3.876 3.786 1.00 1.15 C ATOM 1897 CE1 PHE B 21 -8.474 -1.700 2.326 1.00 1.44 C ATOM 1898 CE2 PHE B 21 -6.829 -3.367 2.784 1.00 1.13 C ATOM 1899 CZ PHE B 21 -7.251 -2.275 2.053 1.00 0.53 C ATOM 0 H PHE B 21 -9.460 -1.486 5.745 1.00 0.44 H new ATOM 0 HA PHE B 21 -11.569 -2.965 4.662 1.00 0.47 H new ATOM 0 HB2 PHE B 21 -9.095 -3.988 6.078 1.00 0.47 H new ATOM 0 HB3 PHE B 21 -10.072 -4.850 4.906 1.00 0.47 H new ATOM 0 HD1 PHE B 21 -10.228 -1.761 3.531 1.00 1.39 H new ATOM 0 HD2 PHE B 21 -7.286 -4.727 4.357 1.00 1.15 H new ATOM 0 HE1 PHE B 21 -8.808 -0.845 1.756 1.00 1.44 H new ATOM 0 HE2 PHE B 21 -5.873 -3.823 2.570 1.00 1.13 H new ATOM 0 HZ PHE B 21 -6.625 -1.872 1.270 1.00 0.53 H new ATOM 1909 N THR B 22 -11.924 -2.759 7.730 1.00 0.48 N ATOM 1910 CA THR B 22 -12.859 -3.152 8.751 1.00 0.54 C ATOM 1911 C THR B 22 -14.273 -3.135 8.155 1.00 0.48 C ATOM 1912 O THR B 22 -15.206 -3.701 8.725 1.00 0.53 O ATOM 1913 CB THR B 22 -12.797 -2.192 9.941 1.00 0.65 C ATOM 1914 OG1 THR B 22 -13.091 -0.857 9.509 1.00 0.66 O ATOM 1915 CG2 THR B 22 -11.420 -2.244 10.565 1.00 0.81 C ATOM 0 H THR B 22 -11.418 -1.892 7.908 1.00 0.48 H new ATOM 0 HA THR B 22 -12.605 -4.152 9.102 1.00 0.54 H new ATOM 0 HB THR B 22 -13.537 -2.492 10.683 1.00 0.65 H new ATOM 0 HG1 THR B 22 -12.275 -0.315 9.543 1.00 0.66 H new ATOM 0 HG21 THR B 22 -11.378 -1.559 11.412 1.00 0.81 H new ATOM 0 HG22 THR B 22 -11.214 -3.258 10.907 1.00 0.81 H new ATOM 0 HG23 THR B 22 -10.674 -1.952 9.826 1.00 0.81 H new ATOM 1923 N PHE B 23 -14.419 -2.470 6.989 1.00 0.49 N ATOM 1924 CA PHE B 23 -15.704 -2.358 6.311 1.00 0.51 C ATOM 1925 C PHE B 23 -16.243 -3.693 5.784 1.00 0.44 C ATOM 1926 O PHE B 23 -17.435 -3.803 5.506 1.00 0.46 O ATOM 1927 CB PHE B 23 -15.645 -1.231 5.255 1.00 0.68 C ATOM 1928 CG PHE B 23 -14.981 -1.492 3.925 1.00 0.61 C ATOM 1929 CD1 PHE B 23 -13.705 -1.992 3.863 1.00 1.46 C ATOM 1930 CD2 PHE B 23 -15.606 -1.123 2.736 1.00 1.48 C ATOM 1931 CE1 PHE B 23 -13.051 -2.137 2.654 1.00 1.93 C ATOM 1932 CE2 PHE B 23 -14.969 -1.278 1.523 1.00 1.88 C ATOM 1933 CZ PHE B 23 -13.683 -1.782 1.480 1.00 1.83 C ATOM 0 H PHE B 23 -13.651 -2.004 6.505 1.00 0.49 H new ATOM 0 HA PHE B 23 -16.452 -2.071 7.050 1.00 0.51 H new ATOM 0 HB2 PHE B 23 -16.670 -0.919 5.053 1.00 0.68 H new ATOM 0 HB3 PHE B 23 -15.138 -0.381 5.712 1.00 0.68 H new ATOM 0 HD1 PHE B 23 -13.202 -2.277 4.775 1.00 1.46 H new ATOM 0 HD2 PHE B 23 -16.603 -0.710 2.765 1.00 1.48 H new ATOM 0 HE1 PHE B 23 -12.045 -2.528 2.628 1.00 1.93 H new ATOM 0 HE2 PHE B 23 -15.474 -1.006 0.608 1.00 1.88 H new ATOM 0 HZ PHE B 23 -13.176 -1.897 0.533 1.00 1.83 H new ATOM 1943 N ALA B 24 -15.387 -4.710 5.652 1.00 0.51 N ATOM 1944 CA ALA B 24 -15.858 -6.037 5.240 1.00 0.59 C ATOM 1945 C ALA B 24 -16.982 -6.497 6.156 1.00 0.61 C ATOM 1946 O ALA B 24 -17.804 -7.334 5.780 1.00 0.67 O ATOM 1947 CB ALA B 24 -14.724 -7.049 5.285 1.00 0.71 C ATOM 0 H ALA B 24 -14.383 -4.645 5.820 1.00 0.51 H new ATOM 0 HA ALA B 24 -16.226 -5.966 4.216 1.00 0.59 H new ATOM 0 HB1 ALA B 24 -15.096 -8.026 4.976 1.00 0.71 H new ATOM 0 HB2 ALA B 24 -13.928 -6.734 4.611 1.00 0.71 H new ATOM 0 HB3 ALA B 24 -14.334 -7.114 6.301 1.00 0.71 H new ATOM 1953 N GLY B 25 -17.004 -5.942 7.366 1.00 0.71 N ATOM 1954 CA GLY B 25 -18.025 -6.290 8.344 1.00 0.85 C ATOM 1955 C GLY B 25 -19.402 -6.467 7.728 1.00 0.74 C ATOM 1956 O GLY B 25 -20.213 -7.250 8.223 1.00 0.82 O ATOM 0 H GLY B 25 -16.327 -5.251 7.689 1.00 0.71 H new ATOM 0 HA2 GLY B 25 -17.738 -7.213 8.848 1.00 0.85 H new ATOM 0 HA3 GLY B 25 -18.071 -5.511 9.105 1.00 0.85 H new ATOM 1960 N ARG B 26 -19.666 -5.738 6.649 1.00 0.61 N ATOM 1961 CA ARG B 26 -20.946 -5.842 5.960 1.00 0.59 C ATOM 1962 C ARG B 26 -21.186 -7.287 5.564 1.00 0.58 C ATOM 1963 O ARG B 26 -22.152 -7.918 5.992 1.00 0.72 O ATOM 1964 CB ARG B 26 -20.949 -4.966 4.708 1.00 0.61 C ATOM 1965 CG ARG B 26 -22.331 -4.497 4.288 1.00 1.18 C ATOM 1966 CD ARG B 26 -22.840 -3.392 5.197 1.00 0.96 C ATOM 1967 NE ARG B 26 -24.094 -2.820 4.714 1.00 1.55 N ATOM 1968 CZ ARG B 26 -25.292 -3.335 4.978 1.00 1.95 C ATOM 1969 NH1 ARG B 26 -25.402 -4.437 5.708 1.00 2.01 N ATOM 1970 NH2 ARG B 26 -26.384 -2.747 4.505 1.00 2.82 N ATOM 0 H ARG B 26 -19.014 -5.072 6.235 1.00 0.61 H new ATOM 0 HA ARG B 26 -21.737 -5.503 6.629 1.00 0.59 H new ATOM 0 HB2 ARG B 26 -20.319 -4.095 4.885 1.00 0.61 H new ATOM 0 HB3 ARG B 26 -20.500 -5.523 3.886 1.00 0.61 H new ATOM 0 HG2 ARG B 26 -22.298 -4.138 3.259 1.00 1.18 H new ATOM 0 HG3 ARG B 26 -23.025 -5.337 4.310 1.00 1.18 H new ATOM 0 HD2 ARG B 26 -22.986 -3.788 6.202 1.00 0.96 H new ATOM 0 HD3 ARG B 26 -22.088 -2.607 5.269 1.00 0.96 H new ATOM 0 HE ARG B 26 -24.049 -1.977 4.141 1.00 1.55 H new ATOM 0 HH11 ARG B 26 -24.565 -4.894 6.070 1.00 2.01 H new ATOM 0 HH12 ARG B 26 -26.323 -4.827 5.907 1.00 2.01 H new ATOM 0 HH21 ARG B 26 -26.304 -1.902 3.940 1.00 2.82 H new ATOM 0 HH22 ARG B 26 -27.303 -3.141 4.707 1.00 2.82 H new ATOM 1984 N GLU B 27 -20.289 -7.795 4.733 1.00 0.50 N ATOM 1985 CA GLU B 27 -20.363 -9.175 4.273 1.00 0.57 C ATOM 1986 C GLU B 27 -18.964 -9.761 4.112 1.00 0.80 C ATOM 1987 O GLU B 27 -18.297 -9.530 3.104 1.00 1.26 O ATOM 1988 CB GLU B 27 -21.126 -9.252 2.949 1.00 0.97 C ATOM 1989 CG GLU B 27 -20.609 -8.289 1.894 1.00 0.85 C ATOM 1990 CD GLU B 27 -21.438 -8.317 0.625 1.00 1.10 C ATOM 1991 OE1 GLU B 27 -22.516 -7.686 0.607 1.00 1.63 O ATOM 1992 OE2 GLU B 27 -21.010 -8.970 -0.349 1.00 1.79 O ATOM 0 H GLU B 27 -19.497 -7.270 4.361 1.00 0.50 H new ATOM 0 HA GLU B 27 -20.899 -9.760 5.020 1.00 0.57 H new ATOM 0 HB2 GLU B 27 -21.065 -10.269 2.562 1.00 0.97 H new ATOM 0 HB3 GLU B 27 -22.180 -9.044 3.134 1.00 0.97 H new ATOM 0 HG2 GLU B 27 -20.607 -7.278 2.300 1.00 0.85 H new ATOM 0 HG3 GLU B 27 -19.575 -8.539 1.654 1.00 0.85 H new ATOM 1999 N GLY B 28 -18.521 -10.516 5.112 1.00 1.32 N ATOM 2000 CA GLY B 28 -17.196 -11.104 5.052 1.00 1.87 C ATOM 2001 C GLY B 28 -17.132 -12.506 5.614 1.00 1.35 C ATOM 2002 O GLY B 28 -16.533 -12.730 6.666 1.00 1.58 O ATOM 0 H GLY B 28 -19.051 -10.730 5.957 1.00 1.32 H new ATOM 0 HA2 GLY B 28 -16.862 -11.121 4.015 1.00 1.87 H new ATOM 0 HA3 GLY B 28 -16.500 -10.469 5.601 1.00 1.87 H new ATOM 2006 N ARG B 29 -17.744 -13.454 4.918 1.00 1.15 N ATOM 2007 CA ARG B 29 -17.718 -14.840 5.356 1.00 1.06 C ATOM 2008 C ARG B 29 -16.388 -15.471 4.961 1.00 1.14 C ATOM 2009 O ARG B 29 -15.451 -15.522 5.758 1.00 1.74 O ATOM 2010 CB ARG B 29 -18.886 -15.627 4.745 1.00 1.38 C ATOM 2011 CG ARG B 29 -18.761 -17.139 4.898 1.00 1.76 C ATOM 2012 CD ARG B 29 -19.763 -17.871 4.019 1.00 2.36 C ATOM 2013 NE ARG B 29 -19.680 -19.319 4.182 1.00 2.88 N ATOM 2014 CZ ARG B 29 -20.434 -20.179 3.508 1.00 3.58 C ATOM 2015 NH1 ARG B 29 -21.331 -19.737 2.636 1.00 3.91 N ATOM 2016 NH2 ARG B 29 -20.293 -21.483 3.705 1.00 4.30 N ATOM 0 H ARG B 29 -18.261 -13.289 4.054 1.00 1.15 H new ATOM 0 HA ARG B 29 -17.824 -14.870 6.440 1.00 1.06 H new ATOM 0 HB2 ARG B 29 -19.815 -15.300 5.212 1.00 1.38 H new ATOM 0 HB3 ARG B 29 -18.960 -15.384 3.685 1.00 1.38 H new ATOM 0 HG2 ARG B 29 -17.750 -17.450 4.636 1.00 1.76 H new ATOM 0 HG3 ARG B 29 -18.920 -17.415 5.940 1.00 1.76 H new ATOM 0 HD2 ARG B 29 -20.771 -17.536 4.263 1.00 2.36 H new ATOM 0 HD3 ARG B 29 -19.585 -17.613 2.975 1.00 2.36 H new ATOM 0 HE ARG B 29 -19.005 -19.691 4.851 1.00 2.88 H new ATOM 0 HH11 ARG B 29 -21.442 -18.735 2.482 1.00 3.91 H new ATOM 0 HH12 ARG B 29 -21.909 -20.399 2.119 1.00 3.91 H new ATOM 0 HH21 ARG B 29 -19.605 -21.826 4.375 1.00 4.30 H new ATOM 0 HH22 ARG B 29 -20.873 -22.143 3.187 1.00 4.30 H new ATOM 2030 N LYS B 30 -16.316 -15.951 3.725 1.00 1.05 N ATOM 2031 CA LYS B 30 -15.099 -16.559 3.213 1.00 1.49 C ATOM 2032 C LYS B 30 -14.692 -15.946 1.870 1.00 1.34 C ATOM 2033 O LYS B 30 -13.597 -16.205 1.377 1.00 1.66 O ATOM 2034 CB LYS B 30 -15.276 -18.072 3.073 1.00 2.04 C ATOM 2035 CG LYS B 30 -15.347 -18.807 4.403 1.00 2.66 C ATOM 2036 CD LYS B 30 -15.680 -20.279 4.209 1.00 3.51 C ATOM 2037 CE LYS B 30 -15.760 -21.011 5.538 1.00 4.01 C ATOM 2038 NZ LYS B 30 -16.114 -22.447 5.361 1.00 4.78 N ATOM 0 H LYS B 30 -17.089 -15.930 3.060 1.00 1.05 H new ATOM 0 HA LYS B 30 -14.301 -16.361 3.929 1.00 1.49 H new ATOM 0 HB2 LYS B 30 -16.187 -18.271 2.509 1.00 2.04 H new ATOM 0 HB3 LYS B 30 -14.447 -18.473 2.490 1.00 2.04 H new ATOM 0 HG2 LYS B 30 -14.393 -18.714 4.923 1.00 2.66 H new ATOM 0 HG3 LYS B 30 -16.102 -18.342 5.037 1.00 2.66 H new ATOM 0 HD2 LYS B 30 -16.630 -20.372 3.683 1.00 3.51 H new ATOM 0 HD3 LYS B 30 -14.921 -20.745 3.581 1.00 3.51 H new ATOM 0 HE2 LYS B 30 -14.802 -20.934 6.053 1.00 4.01 H new ATOM 0 HE3 LYS B 30 -16.503 -20.530 6.173 1.00 4.01 H new ATOM 0 HZ1 LYS B 30 -16.158 -22.911 6.291 1.00 4.78 H new ATOM 0 HZ2 LYS B 30 -17.040 -22.521 4.892 1.00 4.78 H new ATOM 0 HZ3 LYS B 30 -15.391 -22.913 4.776 1.00 4.78 H new ATOM 2052 N GLY B 31 -15.568 -15.121 1.287 1.00 0.96 N ATOM 2053 CA GLY B 31 -15.260 -14.490 0.022 1.00 0.88 C ATOM 2054 C GLY B 31 -14.785 -13.094 0.227 1.00 0.81 C ATOM 2055 O GLY B 31 -13.701 -12.914 0.741 1.00 0.85 O ATOM 0 H GLY B 31 -16.482 -14.884 1.673 1.00 0.96 H new ATOM 0 HA2 GLY B 31 -14.495 -15.066 -0.500 1.00 0.88 H new ATOM 0 HA3 GLY B 31 -16.146 -14.488 -0.613 1.00 0.88 H new ATOM 2059 N SER B 32 -15.573 -12.101 -0.163 1.00 0.74 N ATOM 2060 CA SER B 32 -15.126 -10.724 -0.006 1.00 0.71 C ATOM 2061 C SER B 32 -16.200 -9.722 0.344 1.00 0.70 C ATOM 2062 O SER B 32 -17.386 -10.032 0.453 1.00 0.75 O ATOM 2063 CB SER B 32 -14.419 -10.269 -1.260 1.00 0.69 C ATOM 2064 OG SER B 32 -15.217 -10.479 -2.412 1.00 1.09 O ATOM 0 H SER B 32 -16.498 -12.216 -0.578 1.00 0.74 H new ATOM 0 HA SER B 32 -14.457 -10.748 0.854 1.00 0.71 H new ATOM 0 HB2 SER B 32 -14.171 -9.211 -1.176 1.00 0.69 H new ATOM 0 HB3 SER B 32 -13.478 -10.809 -1.365 1.00 0.69 H new ATOM 0 HG SER B 32 -15.066 -9.752 -3.052 1.00 1.09 H new ATOM 2070 N LEU B 33 -15.720 -8.495 0.512 1.00 0.72 N ATOM 2071 CA LEU B 33 -16.542 -7.351 0.814 1.00 0.74 C ATOM 2072 C LEU B 33 -16.852 -6.585 -0.455 1.00 0.57 C ATOM 2073 O LEU B 33 -16.129 -6.681 -1.446 1.00 0.53 O ATOM 2074 CB LEU B 33 -15.840 -6.429 1.780 1.00 1.00 C ATOM 2075 CG LEU B 33 -16.540 -5.088 2.001 1.00 1.19 C ATOM 2076 CD1 LEU B 33 -17.884 -5.274 2.694 1.00 1.93 C ATOM 2077 CD2 LEU B 33 -15.638 -4.162 2.779 1.00 1.69 C ATOM 0 H LEU B 33 -14.727 -8.273 0.439 1.00 0.72 H new ATOM 0 HA LEU B 33 -17.466 -7.710 1.267 1.00 0.74 H new ATOM 0 HB2 LEU B 33 -15.742 -6.936 2.740 1.00 1.00 H new ATOM 0 HB3 LEU B 33 -14.830 -6.241 1.415 1.00 1.00 H new ATOM 0 HG LEU B 33 -16.744 -4.635 1.031 1.00 1.19 H new ATOM 0 HD11 LEU B 33 -18.357 -4.303 2.837 1.00 1.93 H new ATOM 0 HD12 LEU B 33 -18.527 -5.904 2.079 1.00 1.93 H new ATOM 0 HD13 LEU B 33 -17.731 -5.749 3.663 1.00 1.93 H new ATOM 0 HD21 LEU B 33 -16.142 -3.208 2.933 1.00 1.69 H new ATOM 0 HD22 LEU B 33 -15.404 -4.609 3.745 1.00 1.69 H new ATOM 0 HD23 LEU B 33 -14.716 -3.999 2.221 1.00 1.69 H new ATOM 2089 N ASN B 34 -17.930 -5.827 -0.420 1.00 0.57 N ATOM 2090 CA ASN B 34 -18.367 -5.093 -1.555 1.00 0.47 C ATOM 2091 C ASN B 34 -18.018 -3.625 -1.407 1.00 0.41 C ATOM 2092 O ASN B 34 -17.213 -3.237 -0.561 1.00 0.56 O ATOM 2093 CB ASN B 34 -19.872 -5.285 -1.643 1.00 0.56 C ATOM 2094 CG ASN B 34 -20.256 -6.529 -2.417 1.00 1.38 C ATOM 2095 OD1 ASN B 34 -19.519 -7.514 -2.440 1.00 2.13 O ATOM 2096 ND2 ASN B 34 -21.420 -6.490 -3.056 1.00 2.12 N ATOM 0 H ASN B 34 -18.518 -5.713 0.406 1.00 0.57 H new ATOM 0 HA ASN B 34 -17.877 -5.445 -2.463 1.00 0.47 H new ATOM 0 HB2 ASN B 34 -20.286 -5.345 -0.637 1.00 0.56 H new ATOM 0 HB3 ASN B 34 -20.319 -4.413 -2.120 1.00 0.56 H new ATOM 0 HD21 ASN B 34 -21.734 -7.298 -3.593 1.00 2.12 H new ATOM 0 HD22 ASN B 34 -21.999 -5.652 -3.010 1.00 2.12 H new ATOM 2103 N ILE B 35 -18.632 -2.822 -2.243 1.00 0.53 N ATOM 2104 CA ILE B 35 -18.410 -1.385 -2.225 1.00 0.54 C ATOM 2105 C ILE B 35 -19.551 -0.642 -1.548 1.00 0.56 C ATOM 2106 O ILE B 35 -19.725 0.556 -1.753 1.00 0.63 O ATOM 2107 CB ILE B 35 -18.203 -0.807 -3.634 1.00 0.60 C ATOM 2108 CG1 ILE B 35 -19.121 -1.510 -4.633 1.00 0.70 C ATOM 2109 CG2 ILE B 35 -16.745 -0.923 -4.045 1.00 0.66 C ATOM 2110 CD1 ILE B 35 -20.575 -1.489 -4.218 1.00 1.04 C ATOM 0 H ILE B 35 -19.295 -3.137 -2.951 1.00 0.53 H new ATOM 0 HA ILE B 35 -17.496 -1.238 -1.649 1.00 0.54 H new ATOM 0 HB ILE B 35 -18.463 0.251 -3.625 1.00 0.60 H new ATOM 0 HG12 ILE B 35 -19.021 -1.033 -5.608 1.00 0.70 H new ATOM 0 HG13 ILE B 35 -18.797 -2.544 -4.749 1.00 0.70 H new ATOM 0 HG21 ILE B 35 -16.615 -0.509 -5.045 1.00 0.66 H new ATOM 0 HG22 ILE B 35 -16.123 -0.371 -3.340 1.00 0.66 H new ATOM 0 HG23 ILE B 35 -16.449 -1.972 -4.045 1.00 0.66 H new ATOM 0 HD11 ILE B 35 -21.175 -2.004 -4.968 1.00 1.04 H new ATOM 0 HD12 ILE B 35 -20.686 -1.991 -3.257 1.00 1.04 H new ATOM 0 HD13 ILE B 35 -20.913 -0.457 -4.129 1.00 1.04 H new ATOM 2122 N ASN B 36 -20.323 -1.354 -0.743 1.00 0.59 N ATOM 2123 CA ASN B 36 -21.426 -0.745 -0.020 1.00 0.63 C ATOM 2124 C ASN B 36 -20.855 0.108 1.081 1.00 0.59 C ATOM 2125 O ASN B 36 -21.024 1.327 1.082 1.00 0.59 O ATOM 2126 CB ASN B 36 -22.364 -1.809 0.548 1.00 0.70 C ATOM 2127 CG ASN B 36 -23.431 -1.224 1.450 1.00 1.34 C ATOM 2128 OD1 ASN B 36 -23.230 -1.081 2.657 1.00 2.16 O ATOM 2129 ND2 ASN B 36 -24.576 -0.887 0.870 1.00 1.90 N ATOM 0 H ASN B 36 -20.206 -2.353 -0.574 1.00 0.59 H new ATOM 0 HA ASN B 36 -22.015 -0.129 -0.700 1.00 0.63 H new ATOM 0 HB2 ASN B 36 -22.841 -2.343 -0.274 1.00 0.70 H new ATOM 0 HB3 ASN B 36 -21.781 -2.540 1.108 1.00 0.70 H new ATOM 0 HD21 ASN B 36 -25.333 -0.492 1.428 1.00 1.90 H new ATOM 0 HD22 ASN B 36 -24.699 -1.023 -0.133 1.00 1.90 H new ATOM 2136 N GLU B 37 -20.176 -0.522 2.031 1.00 0.58 N ATOM 2137 CA GLU B 37 -19.539 0.245 3.078 1.00 0.56 C ATOM 2138 C GLU B 37 -18.540 1.189 2.454 1.00 0.50 C ATOM 2139 O GLU B 37 -18.313 2.278 2.964 1.00 0.53 O ATOM 2140 CB GLU B 37 -18.856 -0.653 4.088 1.00 0.68 C ATOM 2141 CG GLU B 37 -19.813 -1.525 4.861 1.00 0.76 C ATOM 2142 CD GLU B 37 -19.248 -1.950 6.203 1.00 0.77 C ATOM 2143 OE1 GLU B 37 -18.575 -1.120 6.851 1.00 1.28 O ATOM 2144 OE2 GLU B 37 -19.481 -3.107 6.610 1.00 1.41 O ATOM 0 H GLU B 37 -20.057 -1.533 2.094 1.00 0.58 H new ATOM 0 HA GLU B 37 -20.302 0.811 3.612 1.00 0.56 H new ATOM 0 HB2 GLU B 37 -18.136 -1.287 3.570 1.00 0.68 H new ATOM 0 HB3 GLU B 37 -18.292 -0.036 4.788 1.00 0.68 H new ATOM 0 HG2 GLU B 37 -20.747 -0.986 5.017 1.00 0.76 H new ATOM 0 HG3 GLU B 37 -20.051 -2.411 4.272 1.00 0.76 H new ATOM 2151 N PHE B 38 -17.931 0.770 1.340 1.00 0.47 N ATOM 2152 CA PHE B 38 -17.000 1.632 0.632 1.00 0.43 C ATOM 2153 C PHE B 38 -17.638 3.004 0.436 1.00 0.45 C ATOM 2154 O PHE B 38 -16.961 4.027 0.394 1.00 0.46 O ATOM 2155 CB PHE B 38 -16.651 1.028 -0.722 1.00 0.43 C ATOM 2156 CG PHE B 38 -15.397 1.578 -1.319 1.00 0.41 C ATOM 2157 CD1 PHE B 38 -15.333 2.896 -1.717 1.00 1.30 C ATOM 2158 CD2 PHE B 38 -14.285 0.771 -1.491 1.00 1.21 C ATOM 2159 CE1 PHE B 38 -14.184 3.406 -2.280 1.00 1.32 C ATOM 2160 CE2 PHE B 38 -13.128 1.275 -2.052 1.00 1.21 C ATOM 2161 CZ PHE B 38 -13.078 2.596 -2.448 1.00 0.46 C ATOM 0 H PHE B 38 -18.068 -0.149 0.919 1.00 0.47 H new ATOM 0 HA PHE B 38 -16.085 1.732 1.216 1.00 0.43 H new ATOM 0 HB2 PHE B 38 -16.548 -0.052 -0.613 1.00 0.43 H new ATOM 0 HB3 PHE B 38 -17.478 1.201 -1.411 1.00 0.43 H new ATOM 0 HD1 PHE B 38 -16.193 3.536 -1.586 1.00 1.30 H new ATOM 0 HD2 PHE B 38 -14.323 -0.264 -1.183 1.00 1.21 H new ATOM 0 HE1 PHE B 38 -14.148 4.440 -2.590 1.00 1.32 H new ATOM 0 HE2 PHE B 38 -12.266 0.638 -2.180 1.00 1.21 H new ATOM 0 HZ PHE B 38 -12.176 2.995 -2.888 1.00 0.46 H new ATOM 2171 N LYS B 39 -18.969 2.999 0.331 1.00 0.49 N ATOM 2172 CA LYS B 39 -19.737 4.227 0.164 1.00 0.53 C ATOM 2173 C LYS B 39 -19.511 5.173 1.341 1.00 0.54 C ATOM 2174 O LYS B 39 -19.887 6.345 1.309 1.00 0.58 O ATOM 2175 CB LYS B 39 -21.212 3.890 0.013 1.00 0.62 C ATOM 2176 CG LYS B 39 -21.452 2.893 -1.091 1.00 0.68 C ATOM 2177 CD LYS B 39 -22.202 3.514 -2.254 1.00 0.70 C ATOM 2178 CE LYS B 39 -22.393 2.521 -3.384 1.00 1.49 C ATOM 2179 NZ LYS B 39 -23.237 1.368 -2.967 1.00 1.82 N ATOM 0 H LYS B 39 -19.536 2.152 0.359 1.00 0.49 H new ATOM 0 HA LYS B 39 -19.398 4.737 -0.738 1.00 0.53 H new ATOM 0 HB2 LYS B 39 -21.590 3.488 0.953 1.00 0.62 H new ATOM 0 HB3 LYS B 39 -21.773 4.801 -0.193 1.00 0.62 H new ATOM 0 HG2 LYS B 39 -20.497 2.501 -1.441 1.00 0.68 H new ATOM 0 HG3 LYS B 39 -22.020 2.048 -0.701 1.00 0.68 H new ATOM 0 HD2 LYS B 39 -23.174 3.871 -1.913 1.00 0.70 H new ATOM 0 HD3 LYS B 39 -21.654 4.382 -2.620 1.00 0.70 H new ATOM 0 HE2 LYS B 39 -22.856 3.022 -4.234 1.00 1.49 H new ATOM 0 HE3 LYS B 39 -21.421 2.158 -3.718 1.00 1.49 H new ATOM 0 HZ1 LYS B 39 -23.809 1.047 -3.774 1.00 1.82 H new ATOM 0 HZ2 LYS B 39 -22.627 0.590 -2.644 1.00 1.82 H new ATOM 0 HZ3 LYS B 39 -23.865 1.660 -2.191 1.00 1.82 H new ATOM 2193 N GLU B 40 -18.961 4.643 2.409 1.00 0.53 N ATOM 2194 CA GLU B 40 -18.616 5.463 3.548 1.00 0.57 C ATOM 2195 C GLU B 40 -17.262 6.142 3.285 1.00 0.55 C ATOM 2196 O GLU B 40 -16.787 6.928 4.105 1.00 0.61 O ATOM 2197 CB GLU B 40 -18.564 4.614 4.834 1.00 0.61 C ATOM 2198 CG GLU B 40 -17.210 3.966 5.114 1.00 1.09 C ATOM 2199 CD GLU B 40 -17.161 3.263 6.456 1.00 1.91 C ATOM 2200 OE1 GLU B 40 -17.498 2.062 6.510 1.00 2.62 O ATOM 2201 OE2 GLU B 40 -16.783 3.913 7.453 1.00 2.42 O ATOM 0 H GLU B 40 -18.743 3.652 2.513 1.00 0.53 H new ATOM 0 HA GLU B 40 -19.380 6.228 3.689 1.00 0.57 H new ATOM 0 HB2 GLU B 40 -18.832 5.245 5.681 1.00 0.61 H new ATOM 0 HB3 GLU B 40 -19.320 3.831 4.768 1.00 0.61 H new ATOM 0 HG2 GLU B 40 -16.986 3.248 4.325 1.00 1.09 H new ATOM 0 HG3 GLU B 40 -16.433 4.730 5.081 1.00 1.09 H new ATOM 2208 N LEU B 41 -16.644 5.833 2.129 1.00 0.50 N ATOM 2209 CA LEU B 41 -15.344 6.376 1.799 1.00 0.50 C ATOM 2210 C LEU B 41 -15.426 7.777 1.227 1.00 0.55 C ATOM 2211 O LEU B 41 -15.418 8.743 1.973 1.00 0.63 O ATOM 2212 CB LEU B 41 -14.611 5.476 0.809 1.00 0.46 C ATOM 2213 CG LEU B 41 -14.202 4.098 1.303 1.00 0.44 C ATOM 2214 CD1 LEU B 41 -13.094 3.544 0.422 1.00 0.55 C ATOM 2215 CD2 LEU B 41 -13.753 4.147 2.757 1.00 0.66 C ATOM 0 H LEU B 41 -17.035 5.211 1.421 1.00 0.50 H new ATOM 0 HA LEU B 41 -14.790 6.424 2.736 1.00 0.50 H new ATOM 0 HB2 LEU B 41 -15.247 5.347 -0.067 1.00 0.46 H new ATOM 0 HB3 LEU B 41 -13.713 5.997 0.477 1.00 0.46 H new ATOM 0 HG LEU B 41 -15.068 3.439 1.245 1.00 0.44 H new ATOM 0 HD11 LEU B 41 -12.804 2.556 0.780 1.00 0.55 H new ATOM 0 HD12 LEU B 41 -13.450 3.468 -0.605 1.00 0.55 H new ATOM 0 HD13 LEU B 41 -12.232 4.210 0.459 1.00 0.55 H new ATOM 0 HD21 LEU B 41 -13.466 3.147 3.083 1.00 0.66 H new ATOM 0 HD22 LEU B 41 -12.899 4.818 2.852 1.00 0.66 H new ATOM 0 HD23 LEU B 41 -14.571 4.511 3.378 1.00 0.66 H new ATOM 2227 N ALA B 42 -15.538 7.879 -0.102 1.00 0.55 N ATOM 2228 CA ALA B 42 -15.548 9.183 -0.773 1.00 0.62 C ATOM 2229 C ALA B 42 -16.344 10.207 0.005 1.00 0.68 C ATOM 2230 O ALA B 42 -15.995 11.374 0.058 1.00 0.76 O ATOM 2231 CB ALA B 42 -16.096 9.076 -2.177 1.00 0.65 C ATOM 0 H ALA B 42 -15.622 7.080 -0.730 1.00 0.55 H new ATOM 0 HA ALA B 42 -14.511 9.516 -0.823 1.00 0.62 H new ATOM 0 HB1 ALA B 42 -16.090 10.060 -2.646 1.00 0.65 H new ATOM 0 HB2 ALA B 42 -15.477 8.393 -2.758 1.00 0.65 H new ATOM 0 HB3 ALA B 42 -17.118 8.698 -2.141 1.00 0.65 H new ATOM 2237 N THR B 43 -17.398 9.744 0.629 1.00 0.65 N ATOM 2238 CA THR B 43 -18.249 10.608 1.415 1.00 0.73 C ATOM 2239 C THR B 43 -17.449 11.327 2.503 1.00 0.78 C ATOM 2240 O THR B 43 -17.380 12.554 2.534 1.00 0.85 O ATOM 2241 CB THR B 43 -19.391 9.796 2.051 1.00 0.73 C ATOM 2242 OG1 THR B 43 -18.874 8.575 2.607 1.00 0.66 O ATOM 2243 CG2 THR B 43 -20.451 9.476 1.012 1.00 0.76 C ATOM 0 H THR B 43 -17.690 8.767 0.609 1.00 0.65 H new ATOM 0 HA THR B 43 -18.673 11.360 0.749 1.00 0.73 H new ATOM 0 HB THR B 43 -19.842 10.391 2.845 1.00 0.73 H new ATOM 0 HG1 THR B 43 -19.254 7.810 2.126 1.00 0.66 H new ATOM 0 HG21 THR B 43 -21.253 8.901 1.475 1.00 0.76 H new ATOM 0 HG22 THR B 43 -20.856 10.404 0.608 1.00 0.76 H new ATOM 0 HG23 THR B 43 -20.006 8.893 0.206 1.00 0.76 H new ATOM 2251 N GLN B 44 -16.865 10.547 3.400 1.00 0.76 N ATOM 2252 CA GLN B 44 -16.050 11.075 4.494 1.00 0.84 C ATOM 2253 C GLN B 44 -14.642 11.383 4.022 1.00 0.83 C ATOM 2254 O GLN B 44 -13.999 12.317 4.503 1.00 0.92 O ATOM 2255 CB GLN B 44 -16.024 10.048 5.624 1.00 0.87 C ATOM 2256 CG GLN B 44 -17.396 9.776 6.218 1.00 1.54 C ATOM 2257 CD GLN B 44 -18.010 11.005 6.864 1.00 2.04 C ATOM 2258 OE1 GLN B 44 -17.813 11.261 8.052 1.00 2.53 O ATOM 2259 NE2 GLN B 44 -18.763 11.772 6.083 1.00 2.74 N ATOM 0 H GLN B 44 -16.940 9.530 3.394 1.00 0.76 H new ATOM 0 HA GLN B 44 -16.486 12.007 4.852 1.00 0.84 H new ATOM 0 HB2 GLN B 44 -15.607 9.114 5.248 1.00 0.87 H new ATOM 0 HB3 GLN B 44 -15.358 10.401 6.411 1.00 0.87 H new ATOM 0 HG2 GLN B 44 -18.061 9.412 5.435 1.00 1.54 H new ATOM 0 HG3 GLN B 44 -17.315 8.983 6.961 1.00 1.54 H new ATOM 0 HE21 GLN B 44 -18.900 11.523 5.103 1.00 2.74 H new ATOM 0 HE22 GLN B 44 -19.204 12.610 6.463 1.00 2.74 H new ATOM 2268 N GLN B 45 -14.169 10.588 3.085 1.00 0.79 N ATOM 2269 CA GLN B 45 -12.856 10.765 2.521 1.00 0.82 C ATOM 2270 C GLN B 45 -12.842 12.034 1.702 1.00 0.78 C ATOM 2271 O GLN B 45 -11.802 12.678 1.560 1.00 0.79 O ATOM 2272 CB GLN B 45 -12.528 9.571 1.652 1.00 0.93 C ATOM 2273 CG GLN B 45 -12.478 8.266 2.418 1.00 0.95 C ATOM 2274 CD GLN B 45 -11.675 7.183 1.725 1.00 1.37 C ATOM 2275 OE1 GLN B 45 -11.268 6.217 2.365 1.00 2.35 O ATOM 2276 NE2 GLN B 45 -11.441 7.329 0.417 1.00 1.45 N ATOM 0 H GLN B 45 -14.688 9.801 2.695 1.00 0.79 H new ATOM 0 HA GLN B 45 -12.109 10.843 3.311 1.00 0.82 H new ATOM 0 HB2 GLN B 45 -13.273 9.491 0.861 1.00 0.93 H new ATOM 0 HB3 GLN B 45 -11.566 9.737 1.168 1.00 0.93 H new ATOM 0 HG2 GLN B 45 -12.049 8.449 3.403 1.00 0.95 H new ATOM 0 HG3 GLN B 45 -13.495 7.908 2.575 1.00 0.95 H new ATOM 0 HE21 GLN B 45 -11.798 8.147 -0.077 1.00 1.45 H new ATOM 0 HE22 GLN B 45 -10.906 6.622 -0.087 1.00 1.45 H new ATOM 2285 N LEU B 46 -14.017 12.379 1.142 1.00 0.78 N ATOM 2286 CA LEU B 46 -14.180 13.602 0.356 1.00 0.78 C ATOM 2287 C LEU B 46 -13.394 14.707 1.028 1.00 0.74 C ATOM 2288 O LEU B 46 -12.385 15.149 0.487 1.00 0.75 O ATOM 2289 CB LEU B 46 -15.660 14.013 0.222 1.00 0.83 C ATOM 2290 CG LEU B 46 -16.309 13.842 -1.164 1.00 1.04 C ATOM 2291 CD1 LEU B 46 -17.549 14.718 -1.272 1.00 1.25 C ATOM 2292 CD2 LEU B 46 -15.328 14.176 -2.280 1.00 1.30 C ATOM 0 H LEU B 46 -14.867 11.821 1.224 1.00 0.78 H new ATOM 0 HA LEU B 46 -13.809 13.421 -0.653 1.00 0.78 H new ATOM 0 HB2 LEU B 46 -16.239 13.434 0.941 1.00 0.83 H new ATOM 0 HB3 LEU B 46 -15.749 15.060 0.511 1.00 0.83 H new ATOM 0 HG LEU B 46 -16.598 12.797 -1.275 1.00 1.04 H new ATOM 0 HD11 LEU B 46 -18.000 14.590 -2.256 1.00 1.25 H new ATOM 0 HD12 LEU B 46 -18.266 14.430 -0.503 1.00 1.25 H new ATOM 0 HD13 LEU B 46 -17.270 15.763 -1.134 1.00 1.25 H new ATOM 0 HD21 LEU B 46 -15.817 14.045 -3.245 1.00 1.30 H new ATOM 0 HD22 LEU B 46 -14.998 15.210 -2.177 1.00 1.30 H new ATOM 0 HD23 LEU B 46 -14.466 13.512 -2.217 1.00 1.30 H new ATOM 2304 N PRO B 47 -13.812 15.164 2.229 1.00 0.78 N ATOM 2305 CA PRO B 47 -13.037 16.174 2.908 1.00 0.80 C ATOM 2306 C PRO B 47 -11.875 15.576 3.658 1.00 0.77 C ATOM 2307 O PRO B 47 -11.976 15.167 4.814 1.00 0.82 O ATOM 2308 CB PRO B 47 -14.040 16.748 3.901 1.00 0.91 C ATOM 2309 CG PRO B 47 -14.952 15.609 4.210 1.00 0.95 C ATOM 2310 CD PRO B 47 -15.027 14.783 2.956 1.00 0.90 C ATOM 0 HA PRO B 47 -12.608 16.903 2.221 1.00 0.80 H new ATOM 0 HB2 PRO B 47 -13.544 17.114 4.800 1.00 0.91 H new ATOM 0 HB3 PRO B 47 -14.586 17.589 3.473 1.00 0.91 H new ATOM 0 HG2 PRO B 47 -14.570 15.019 5.043 1.00 0.95 H new ATOM 0 HG3 PRO B 47 -15.940 15.968 4.500 1.00 0.95 H new ATOM 0 HD2 PRO B 47 -15.045 13.716 3.178 1.00 0.90 H new ATOM 0 HD3 PRO B 47 -15.926 15.005 2.381 1.00 0.90 H new ATOM 2318 N HIS B 48 -10.779 15.535 2.951 1.00 0.73 N ATOM 2319 CA HIS B 48 -9.508 15.108 3.464 1.00 0.75 C ATOM 2320 C HIS B 48 -8.661 16.316 3.790 1.00 0.83 C ATOM 2321 O HIS B 48 -9.174 17.421 3.970 1.00 0.91 O ATOM 2322 CB HIS B 48 -8.855 14.230 2.428 1.00 0.73 C ATOM 2323 CG HIS B 48 -8.657 12.826 2.911 1.00 0.98 C ATOM 2324 ND1 HIS B 48 -9.653 11.875 2.875 1.00 1.86 N ATOM 2325 CD2 HIS B 48 -7.579 12.218 3.463 1.00 1.34 C ATOM 2326 CE1 HIS B 48 -9.201 10.745 3.384 1.00 2.02 C ATOM 2327 NE2 HIS B 48 -7.945 10.924 3.748 1.00 1.59 N ATOM 0 H HIS B 48 -10.746 15.807 1.969 1.00 0.73 H new ATOM 0 HA HIS B 48 -9.629 14.537 4.385 1.00 0.75 H new ATOM 0 HB2 HIS B 48 -9.468 14.218 1.527 1.00 0.73 H new ATOM 0 HB3 HIS B 48 -7.890 14.655 2.151 1.00 0.73 H new ATOM 0 HD1 HIS B 48 -10.594 12.022 2.511 1.00 1.86 H new ATOM 0 HD2 HIS B 48 -6.613 12.666 3.645 1.00 1.34 H new ATOM 0 HE1 HIS B 48 -9.763 9.829 3.486 1.00 2.02 H new ATOM 2336 N LEU B 49 -7.359 16.102 3.862 1.00 0.89 N ATOM 2337 CA LEU B 49 -6.443 17.203 4.034 1.00 1.00 C ATOM 2338 C LEU B 49 -6.215 17.787 2.639 1.00 0.98 C ATOM 2339 O LEU B 49 -6.863 18.757 2.245 1.00 1.02 O ATOM 2340 CB LEU B 49 -5.129 16.743 4.678 1.00 1.10 C ATOM 2341 CG LEU B 49 -5.237 16.323 6.146 1.00 1.62 C ATOM 2342 CD1 LEU B 49 -5.777 17.466 6.992 1.00 2.02 C ATOM 2343 CD2 LEU B 49 -6.120 15.091 6.289 1.00 2.44 C ATOM 0 H LEU B 49 -6.920 15.183 3.804 1.00 0.89 H new ATOM 0 HA LEU B 49 -6.852 17.955 4.709 1.00 1.00 H new ATOM 0 HB2 LEU B 49 -4.736 15.904 4.104 1.00 1.10 H new ATOM 0 HB3 LEU B 49 -4.402 17.551 4.600 1.00 1.10 H new ATOM 0 HG LEU B 49 -4.238 16.073 6.503 1.00 1.62 H new ATOM 0 HD11 LEU B 49 -5.846 17.148 8.032 1.00 2.02 H new ATOM 0 HD12 LEU B 49 -5.106 18.322 6.918 1.00 2.02 H new ATOM 0 HD13 LEU B 49 -6.766 17.749 6.632 1.00 2.02 H new ATOM 0 HD21 LEU B 49 -6.184 14.809 7.340 1.00 2.44 H new ATOM 0 HD22 LEU B 49 -7.118 15.313 5.912 1.00 2.44 H new ATOM 0 HD23 LEU B 49 -5.691 14.268 5.718 1.00 2.44 H new ATOM 2355 N LEU B 50 -5.284 17.184 1.900 1.00 0.98 N ATOM 2356 CA LEU B 50 -5.008 17.573 0.518 1.00 1.01 C ATOM 2357 C LEU B 50 -5.961 16.821 -0.422 1.00 0.92 C ATOM 2358 O LEU B 50 -5.527 16.209 -1.398 1.00 1.01 O ATOM 2359 CB LEU B 50 -3.552 17.269 0.152 1.00 1.11 C ATOM 2360 CG LEU B 50 -3.105 17.782 -1.219 1.00 1.60 C ATOM 2361 CD1 LEU B 50 -3.258 19.293 -1.300 1.00 1.97 C ATOM 2362 CD2 LEU B 50 -1.665 17.375 -1.495 1.00 2.24 C ATOM 0 H LEU B 50 -4.704 16.417 2.240 1.00 0.98 H new ATOM 0 HA LEU B 50 -5.167 18.646 0.412 1.00 1.01 H new ATOM 0 HB2 LEU B 50 -2.904 17.703 0.914 1.00 1.11 H new ATOM 0 HB3 LEU B 50 -3.403 16.190 0.185 1.00 1.11 H new ATOM 0 HG LEU B 50 -3.742 17.332 -1.980 1.00 1.60 H new ATOM 0 HD11 LEU B 50 -2.935 19.639 -2.282 1.00 1.97 H new ATOM 0 HD12 LEU B 50 -4.303 19.562 -1.146 1.00 1.97 H new ATOM 0 HD13 LEU B 50 -2.645 19.763 -0.530 1.00 1.97 H new ATOM 0 HD21 LEU B 50 -1.363 17.748 -2.474 1.00 2.24 H new ATOM 0 HD22 LEU B 50 -1.014 17.797 -0.729 1.00 2.24 H new ATOM 0 HD23 LEU B 50 -1.585 16.288 -1.480 1.00 2.24 H new ATOM 2374 N LYS B 51 -7.258 16.875 -0.122 1.00 0.85 N ATOM 2375 CA LYS B 51 -8.275 16.171 -0.892 1.00 0.80 C ATOM 2376 C LYS B 51 -8.023 16.194 -2.395 1.00 0.89 C ATOM 2377 O LYS B 51 -7.278 17.022 -2.917 1.00 1.04 O ATOM 2378 CB LYS B 51 -9.653 16.758 -0.576 1.00 0.95 C ATOM 2379 CG LYS B 51 -10.764 16.331 -1.547 1.00 1.24 C ATOM 2380 CD LYS B 51 -12.098 17.071 -1.343 1.00 2.12 C ATOM 2381 CE LYS B 51 -12.189 17.821 -0.018 1.00 2.68 C ATOM 2382 NZ LYS B 51 -13.583 18.244 0.293 1.00 3.58 N ATOM 0 H LYS B 51 -7.631 17.409 0.663 1.00 0.85 H new ATOM 0 HA LYS B 51 -8.231 15.124 -0.594 1.00 0.80 H new ATOM 0 HB2 LYS B 51 -9.937 16.463 0.434 1.00 0.95 H new ATOM 0 HB3 LYS B 51 -9.581 17.846 -0.582 1.00 0.95 H new ATOM 0 HG2 LYS B 51 -10.422 16.497 -2.569 1.00 1.24 H new ATOM 0 HG3 LYS B 51 -10.935 15.260 -1.438 1.00 1.24 H new ATOM 0 HD2 LYS B 51 -12.239 17.778 -2.161 1.00 2.12 H new ATOM 0 HD3 LYS B 51 -12.915 16.351 -1.399 1.00 2.12 H new ATOM 0 HE2 LYS B 51 -11.816 17.184 0.785 1.00 2.68 H new ATOM 0 HE3 LYS B 51 -11.544 18.699 -0.054 1.00 2.68 H new ATOM 0 HZ1 LYS B 51 -13.598 18.750 1.202 1.00 3.58 H new ATOM 0 HZ2 LYS B 51 -13.931 18.873 -0.459 1.00 3.58 H new ATOM 0 HZ3 LYS B 51 -14.195 17.405 0.354 1.00 3.58 H new ATOM 2396 N ASP B 52 -8.678 15.252 -3.068 1.00 0.92 N ATOM 2397 CA ASP B 52 -8.592 15.108 -4.514 1.00 1.17 C ATOM 2398 C ASP B 52 -9.918 15.512 -5.154 1.00 1.24 C ATOM 2399 O ASP B 52 -9.949 15.936 -6.306 1.00 1.47 O ATOM 2400 CB ASP B 52 -8.238 13.667 -4.886 1.00 1.29 C ATOM 2401 CG ASP B 52 -6.815 13.309 -4.503 1.00 1.87 C ATOM 2402 OD1 ASP B 52 -6.557 13.109 -3.298 1.00 2.35 O ATOM 2403 OD2 ASP B 52 -5.959 13.231 -5.408 1.00 2.61 O ATOM 0 H ASP B 52 -9.286 14.565 -2.621 1.00 0.92 H new ATOM 0 HA ASP B 52 -7.805 15.762 -4.888 1.00 1.17 H new ATOM 0 HB2 ASP B 52 -8.928 12.985 -4.389 1.00 1.29 H new ATOM 0 HB3 ASP B 52 -8.369 13.528 -5.959 1.00 1.29 H new ATOM 2408 N VAL B 53 -11.005 15.350 -4.382 1.00 1.14 N ATOM 2409 CA VAL B 53 -12.358 15.707 -4.786 1.00 1.27 C ATOM 2410 C VAL B 53 -13.059 14.563 -5.499 1.00 1.24 C ATOM 2411 O VAL B 53 -13.244 14.583 -6.716 1.00 1.46 O ATOM 2412 CB VAL B 53 -12.380 16.946 -5.671 1.00 1.58 C ATOM 2413 CG1 VAL B 53 -13.805 17.333 -6.035 1.00 2.18 C ATOM 2414 CG2 VAL B 53 -11.653 18.101 -4.999 1.00 1.92 C ATOM 0 H VAL B 53 -10.957 14.958 -3.441 1.00 1.14 H new ATOM 0 HA VAL B 53 -12.898 15.927 -3.865 1.00 1.27 H new ATOM 0 HB VAL B 53 -11.855 16.710 -6.596 1.00 1.58 H new ATOM 0 HG11 VAL B 53 -13.791 18.221 -6.667 1.00 2.18 H new ATOM 0 HG12 VAL B 53 -14.279 16.512 -6.573 1.00 2.18 H new ATOM 0 HG13 VAL B 53 -14.368 17.544 -5.126 1.00 2.18 H new ATOM 0 HG21 VAL B 53 -11.681 18.976 -5.649 1.00 1.92 H new ATOM 0 HG22 VAL B 53 -12.140 18.336 -4.053 1.00 1.92 H new ATOM 0 HG23 VAL B 53 -10.616 17.820 -4.813 1.00 1.92 H new ATOM 2424 N GLY B 54 -13.432 13.563 -4.720 1.00 1.06 N ATOM 2425 CA GLY B 54 -14.135 12.415 -5.253 1.00 1.09 C ATOM 2426 C GLY B 54 -15.387 12.804 -6.013 1.00 1.13 C ATOM 2427 O GLY B 54 -16.427 13.080 -5.414 1.00 1.23 O ATOM 0 H GLY B 54 -13.258 13.525 -3.716 1.00 1.06 H new ATOM 0 HA2 GLY B 54 -13.470 11.860 -5.915 1.00 1.09 H new ATOM 0 HA3 GLY B 54 -14.403 11.745 -4.436 1.00 1.09 H new ATOM 2431 N SER B 55 -15.285 12.824 -7.336 1.00 1.16 N ATOM 2432 CA SER B 55 -16.412 13.170 -8.190 1.00 1.24 C ATOM 2433 C SER B 55 -17.535 12.148 -8.030 1.00 1.10 C ATOM 2434 O SER B 55 -17.344 10.962 -8.292 1.00 1.09 O ATOM 2435 CB SER B 55 -15.945 13.240 -9.637 1.00 1.40 C ATOM 2436 OG SER B 55 -15.729 11.945 -10.171 1.00 1.62 O ATOM 0 H SER B 55 -14.428 12.603 -7.842 1.00 1.16 H new ATOM 0 HA SER B 55 -16.803 14.144 -7.897 1.00 1.24 H new ATOM 0 HB2 SER B 55 -16.689 13.764 -10.237 1.00 1.40 H new ATOM 0 HB3 SER B 55 -15.023 13.819 -9.696 1.00 1.40 H new ATOM 0 HG SER B 55 -16.076 11.907 -11.087 1.00 1.62 H new ATOM 2442 N LEU B 56 -18.713 12.632 -7.643 1.00 1.15 N ATOM 2443 CA LEU B 56 -19.874 11.774 -7.394 1.00 1.10 C ATOM 2444 C LEU B 56 -19.984 10.616 -8.383 1.00 0.98 C ATOM 2445 O LEU B 56 -20.459 9.539 -8.025 1.00 0.97 O ATOM 2446 CB LEU B 56 -21.160 12.604 -7.428 1.00 1.28 C ATOM 2447 CG LEU B 56 -21.216 13.759 -6.426 1.00 2.03 C ATOM 2448 CD1 LEU B 56 -22.521 14.527 -6.571 1.00 2.61 C ATOM 2449 CD2 LEU B 56 -21.056 13.240 -5.006 1.00 2.83 C ATOM 0 H LEU B 56 -18.892 13.625 -7.493 1.00 1.15 H new ATOM 0 HA LEU B 56 -19.733 11.339 -6.405 1.00 1.10 H new ATOM 0 HB2 LEU B 56 -21.286 13.009 -8.432 1.00 1.28 H new ATOM 0 HB3 LEU B 56 -22.006 11.942 -7.243 1.00 1.28 H new ATOM 0 HG LEU B 56 -20.392 14.440 -6.638 1.00 2.03 H new ATOM 0 HD11 LEU B 56 -22.544 15.345 -5.851 1.00 2.61 H new ATOM 0 HD12 LEU B 56 -22.595 14.931 -7.581 1.00 2.61 H new ATOM 0 HD13 LEU B 56 -23.360 13.857 -6.386 1.00 2.61 H new ATOM 0 HD21 LEU B 56 -21.098 14.075 -4.307 1.00 2.83 H new ATOM 0 HD22 LEU B 56 -21.860 12.538 -4.782 1.00 2.83 H new ATOM 0 HD23 LEU B 56 -20.095 12.734 -4.910 1.00 2.83 H new ATOM 2461 N ASP B 57 -19.566 10.828 -9.622 1.00 1.00 N ATOM 2462 CA ASP B 57 -19.626 9.755 -10.611 1.00 1.01 C ATOM 2463 C ASP B 57 -18.589 8.704 -10.317 1.00 0.95 C ATOM 2464 O ASP B 57 -18.869 7.507 -10.278 1.00 0.97 O ATOM 2465 CB ASP B 57 -19.401 10.265 -12.022 1.00 1.15 C ATOM 2466 CG ASP B 57 -18.355 11.361 -12.098 1.00 1.69 C ATOM 2467 OD1 ASP B 57 -17.153 11.031 -12.177 1.00 2.19 O ATOM 2468 OD2 ASP B 57 -18.738 12.550 -12.078 1.00 2.48 O ATOM 0 H ASP B 57 -19.189 11.712 -9.964 1.00 1.00 H new ATOM 0 HA ASP B 57 -20.628 9.330 -10.545 1.00 1.01 H new ATOM 0 HB2 ASP B 57 -19.095 9.434 -12.658 1.00 1.15 H new ATOM 0 HB3 ASP B 57 -20.343 10.642 -12.421 1.00 1.15 H new ATOM 2473 N GLU B 58 -17.387 9.183 -10.113 1.00 0.94 N ATOM 2474 CA GLU B 58 -16.252 8.330 -9.810 1.00 0.95 C ATOM 2475 C GLU B 58 -16.602 7.461 -8.621 1.00 0.87 C ATOM 2476 O GLU B 58 -16.152 6.322 -8.503 1.00 0.90 O ATOM 2477 CB GLU B 58 -15.015 9.173 -9.513 1.00 0.98 C ATOM 2478 CG GLU B 58 -13.796 8.347 -9.141 1.00 1.44 C ATOM 2479 CD GLU B 58 -13.289 7.500 -10.291 1.00 1.80 C ATOM 2480 OE1 GLU B 58 -13.761 6.353 -10.436 1.00 2.29 O ATOM 2481 OE2 GLU B 58 -12.419 7.982 -11.047 1.00 2.42 O ATOM 0 H GLU B 58 -17.162 10.177 -10.151 1.00 0.94 H new ATOM 0 HA GLU B 58 -16.026 7.699 -10.670 1.00 0.95 H new ATOM 0 HB2 GLU B 58 -14.780 9.780 -10.387 1.00 0.98 H new ATOM 0 HB3 GLU B 58 -15.241 9.861 -8.698 1.00 0.98 H new ATOM 0 HG2 GLU B 58 -13.000 9.012 -8.807 1.00 1.44 H new ATOM 0 HG3 GLU B 58 -14.044 7.699 -8.300 1.00 1.44 H new ATOM 2488 N LYS B 59 -17.422 8.022 -7.740 1.00 0.81 N ATOM 2489 CA LYS B 59 -17.883 7.303 -6.576 1.00 0.76 C ATOM 2490 C LYS B 59 -18.705 6.101 -7.020 1.00 0.80 C ATOM 2491 O LYS B 59 -18.694 5.055 -6.379 1.00 0.79 O ATOM 2492 CB LYS B 59 -18.751 8.197 -5.681 1.00 0.75 C ATOM 2493 CG LYS B 59 -17.988 9.040 -4.664 1.00 0.75 C ATOM 2494 CD LYS B 59 -17.009 9.988 -5.331 1.00 1.14 C ATOM 2495 CE LYS B 59 -15.585 9.497 -5.184 1.00 1.95 C ATOM 2496 NZ LYS B 59 -14.780 9.748 -6.409 1.00 2.67 N ATOM 0 H LYS B 59 -17.777 8.975 -7.817 1.00 0.81 H new ATOM 0 HA LYS B 59 -17.012 6.980 -6.006 1.00 0.76 H new ATOM 0 HB2 LYS B 59 -19.333 8.864 -6.317 1.00 0.75 H new ATOM 0 HB3 LYS B 59 -19.461 7.567 -5.146 1.00 0.75 H new ATOM 0 HG2 LYS B 59 -18.695 9.613 -4.064 1.00 0.75 H new ATOM 0 HG3 LYS B 59 -17.449 8.384 -3.981 1.00 0.75 H new ATOM 0 HD2 LYS B 59 -17.256 10.085 -6.388 1.00 1.14 H new ATOM 0 HD3 LYS B 59 -17.102 10.980 -4.890 1.00 1.14 H new ATOM 0 HE2 LYS B 59 -15.116 9.993 -4.334 1.00 1.95 H new ATOM 0 HE3 LYS B 59 -15.590 8.429 -4.966 1.00 1.95 H new ATOM 0 HZ1 LYS B 59 -13.801 9.973 -6.141 1.00 2.67 H new ATOM 0 HZ2 LYS B 59 -14.788 8.899 -7.010 1.00 2.67 H new ATOM 0 HZ3 LYS B 59 -15.187 10.548 -6.934 1.00 2.67 H new ATOM 2510 N MET B 60 -19.411 6.276 -8.138 1.00 0.86 N ATOM 2511 CA MET B 60 -20.283 5.233 -8.689 1.00 0.92 C ATOM 2512 C MET B 60 -19.521 4.195 -9.512 1.00 0.96 C ATOM 2513 O MET B 60 -19.800 3.000 -9.429 1.00 1.01 O ATOM 2514 CB MET B 60 -21.370 5.880 -9.549 1.00 1.00 C ATOM 2515 CG MET B 60 -22.362 6.708 -8.749 1.00 1.01 C ATOM 2516 SD MET B 60 -23.511 7.621 -9.795 1.00 1.74 S ATOM 2517 CE MET B 60 -24.298 6.282 -10.687 1.00 2.31 C ATOM 0 H MET B 60 -19.396 7.137 -8.685 1.00 0.86 H new ATOM 0 HA MET B 60 -20.728 4.704 -7.846 1.00 0.92 H new ATOM 0 HB2 MET B 60 -20.899 6.516 -10.298 1.00 1.00 H new ATOM 0 HB3 MET B 60 -21.910 5.100 -10.086 1.00 1.00 H new ATOM 0 HG2 MET B 60 -22.925 6.052 -8.085 1.00 1.01 H new ATOM 0 HG3 MET B 60 -21.817 7.409 -8.117 1.00 1.01 H new ATOM 0 HE1 MET B 60 -25.213 6.645 -11.155 1.00 2.31 H new ATOM 0 HE2 MET B 60 -23.621 5.909 -11.455 1.00 2.31 H new ATOM 0 HE3 MET B 60 -24.540 5.476 -9.994 1.00 2.31 H new ATOM 2527 N LYS B 61 -18.569 4.658 -10.304 1.00 0.97 N ATOM 2528 CA LYS B 61 -17.778 3.768 -11.163 1.00 1.02 C ATOM 2529 C LYS B 61 -16.839 2.929 -10.331 1.00 0.96 C ATOM 2530 O LYS B 61 -16.678 1.731 -10.560 1.00 0.92 O ATOM 2531 CB LYS B 61 -16.948 4.558 -12.187 1.00 1.09 C ATOM 2532 CG LYS B 61 -17.424 5.979 -12.446 1.00 1.55 C ATOM 2533 CD LYS B 61 -18.863 6.011 -12.934 1.00 2.08 C ATOM 2534 CE LYS B 61 -19.002 5.349 -14.296 1.00 2.60 C ATOM 2535 NZ LYS B 61 -20.393 5.435 -14.818 1.00 3.16 N ATOM 0 H LYS B 61 -18.319 5.644 -10.376 1.00 0.97 H new ATOM 0 HA LYS B 61 -18.483 3.129 -11.695 1.00 1.02 H new ATOM 0 HB2 LYS B 61 -15.914 4.595 -11.843 1.00 1.09 H new ATOM 0 HB3 LYS B 61 -16.950 4.013 -13.131 1.00 1.09 H new ATOM 0 HG2 LYS B 61 -17.337 6.564 -11.530 1.00 1.55 H new ATOM 0 HG3 LYS B 61 -16.778 6.450 -13.187 1.00 1.55 H new ATOM 0 HD2 LYS B 61 -19.504 5.503 -12.214 1.00 2.08 H new ATOM 0 HD3 LYS B 61 -19.206 7.044 -12.993 1.00 2.08 H new ATOM 0 HE2 LYS B 61 -18.320 5.824 -15.001 1.00 2.60 H new ATOM 0 HE3 LYS B 61 -18.706 4.302 -14.222 1.00 2.60 H new ATOM 0 HZ1 LYS B 61 -20.444 4.972 -15.748 1.00 3.16 H new ATOM 0 HZ2 LYS B 61 -21.041 4.960 -14.158 1.00 3.16 H new ATOM 0 HZ3 LYS B 61 -20.667 6.434 -14.913 1.00 3.16 H new ATOM 2549 N THR B 62 -16.229 3.571 -9.359 1.00 0.99 N ATOM 2550 CA THR B 62 -15.282 2.906 -8.497 1.00 0.96 C ATOM 2551 C THR B 62 -15.915 1.718 -7.783 1.00 0.87 C ATOM 2552 O THR B 62 -15.211 0.848 -7.271 1.00 0.84 O ATOM 2553 CB THR B 62 -14.685 3.888 -7.484 1.00 1.03 C ATOM 2554 OG1 THR B 62 -14.128 5.005 -8.184 1.00 1.13 O ATOM 2555 CG2 THR B 62 -13.609 3.215 -6.646 1.00 1.05 C ATOM 0 H THR B 62 -16.374 4.558 -9.147 1.00 0.99 H new ATOM 0 HA THR B 62 -14.477 2.526 -9.126 1.00 0.96 H new ATOM 0 HB THR B 62 -15.475 4.227 -6.814 1.00 1.03 H new ATOM 0 HG1 THR B 62 -14.839 5.477 -8.666 1.00 1.13 H new ATOM 0 HG21 THR B 62 -13.200 3.932 -5.934 1.00 1.05 H new ATOM 0 HG22 THR B 62 -14.042 2.374 -6.105 1.00 1.05 H new ATOM 0 HG23 THR B 62 -12.812 2.856 -7.297 1.00 1.05 H new ATOM 2563 N LEU B 63 -17.247 1.677 -7.747 1.00 0.86 N ATOM 2564 CA LEU B 63 -17.944 0.558 -7.124 1.00 0.83 C ATOM 2565 C LEU B 63 -17.479 -0.743 -7.757 1.00 0.80 C ATOM 2566 O LEU B 63 -16.774 -1.539 -7.144 1.00 0.89 O ATOM 2567 CB LEU B 63 -19.454 0.661 -7.326 1.00 0.95 C ATOM 2568 CG LEU B 63 -20.241 1.371 -6.226 1.00 0.92 C ATOM 2569 CD1 LEU B 63 -20.184 2.874 -6.407 1.00 1.05 C ATOM 2570 CD2 LEU B 63 -21.683 0.886 -6.227 1.00 1.41 C ATOM 0 H LEU B 63 -17.856 2.396 -8.137 1.00 0.86 H new ATOM 0 HA LEU B 63 -17.720 0.581 -6.057 1.00 0.83 H new ATOM 0 HB2 LEU B 63 -19.638 1.180 -8.267 1.00 0.95 H new ATOM 0 HB3 LEU B 63 -19.853 -0.347 -7.435 1.00 0.95 H new ATOM 0 HG LEU B 63 -19.789 1.132 -5.264 1.00 0.92 H new ATOM 0 HD11 LEU B 63 -20.751 3.358 -5.612 1.00 1.05 H new ATOM 0 HD12 LEU B 63 -19.147 3.206 -6.366 1.00 1.05 H new ATOM 0 HD13 LEU B 63 -20.613 3.141 -7.373 1.00 1.05 H new ATOM 0 HD21 LEU B 63 -22.239 1.396 -5.440 1.00 1.41 H new ATOM 0 HD22 LEU B 63 -22.139 1.103 -7.193 1.00 1.41 H new ATOM 0 HD23 LEU B 63 -21.705 -0.189 -6.049 1.00 1.41 H new ATOM 2582 N ASP B 64 -17.898 -0.939 -9.000 1.00 0.78 N ATOM 2583 CA ASP B 64 -17.542 -2.129 -9.758 1.00 0.81 C ATOM 2584 C ASP B 64 -16.027 -2.287 -9.832 1.00 0.81 C ATOM 2585 O ASP B 64 -15.502 -3.394 -9.722 1.00 0.88 O ATOM 2586 CB ASP B 64 -18.136 -2.046 -11.160 1.00 0.91 C ATOM 2587 CG ASP B 64 -19.650 -2.107 -11.147 1.00 1.34 C ATOM 2588 OD1 ASP B 64 -20.200 -3.228 -11.131 1.00 1.96 O ATOM 2589 OD2 ASP B 64 -20.287 -1.033 -11.151 1.00 2.05 O ATOM 0 H ASP B 64 -18.490 -0.282 -9.508 1.00 0.78 H new ATOM 0 HA ASP B 64 -17.950 -3.003 -9.250 1.00 0.81 H new ATOM 0 HB2 ASP B 64 -17.816 -1.118 -11.634 1.00 0.91 H new ATOM 0 HB3 ASP B 64 -17.747 -2.864 -11.766 1.00 0.91 H new ATOM 2594 N VAL B 65 -15.328 -1.176 -10.037 1.00 0.81 N ATOM 2595 CA VAL B 65 -13.873 -1.202 -10.096 1.00 0.87 C ATOM 2596 C VAL B 65 -13.323 -1.727 -8.778 1.00 0.77 C ATOM 2597 O VAL B 65 -12.787 -2.831 -8.707 1.00 0.83 O ATOM 2598 CB VAL B 65 -13.293 0.198 -10.375 1.00 0.95 C ATOM 2599 CG1 VAL B 65 -11.772 0.162 -10.373 1.00 1.06 C ATOM 2600 CG2 VAL B 65 -13.820 0.739 -11.695 1.00 1.07 C ATOM 0 H VAL B 65 -15.743 -0.253 -10.164 1.00 0.81 H new ATOM 0 HA VAL B 65 -13.578 -1.858 -10.915 1.00 0.87 H new ATOM 0 HB VAL B 65 -13.615 0.868 -9.578 1.00 0.95 H new ATOM 0 HG11 VAL B 65 -11.384 1.161 -10.572 1.00 1.06 H new ATOM 0 HG12 VAL B 65 -11.417 -0.178 -9.400 1.00 1.06 H new ATOM 0 HG13 VAL B 65 -11.423 -0.523 -11.146 1.00 1.06 H new ATOM 0 HG21 VAL B 65 -13.400 1.728 -11.876 1.00 1.07 H new ATOM 0 HG22 VAL B 65 -13.531 0.068 -12.504 1.00 1.07 H new ATOM 0 HG23 VAL B 65 -14.907 0.808 -11.652 1.00 1.07 H new ATOM 2610 N ASN B 66 -13.473 -0.922 -7.731 1.00 0.72 N ATOM 2611 CA ASN B 66 -13.030 -1.287 -6.386 1.00 0.67 C ATOM 2612 C ASN B 66 -14.066 -2.143 -5.657 1.00 0.56 C ATOM 2613 O ASN B 66 -14.171 -2.083 -4.432 1.00 0.57 O ATOM 2614 CB ASN B 66 -12.793 -0.033 -5.572 1.00 0.81 C ATOM 2615 CG ASN B 66 -11.778 0.893 -6.217 1.00 0.82 C ATOM 2616 OD1 ASN B 66 -11.656 0.940 -7.441 1.00 1.52 O ATOM 2617 ND2 ASN B 66 -11.040 1.633 -5.397 1.00 1.10 N ATOM 0 H ASN B 66 -13.904 0.001 -7.789 1.00 0.72 H new ATOM 0 HA ASN B 66 -12.112 -1.865 -6.492 1.00 0.67 H new ATOM 0 HB2 ASN B 66 -13.736 0.498 -5.445 1.00 0.81 H new ATOM 0 HB3 ASN B 66 -12.447 -0.310 -4.576 1.00 0.81 H new ATOM 0 HD21 ASN B 66 -10.340 2.271 -5.776 1.00 1.10 H new ATOM 0 HD22 ASN B 66 -11.173 1.563 -4.388 1.00 1.10 H new ATOM 2624 N GLN B 67 -14.822 -2.931 -6.398 1.00 0.63 N ATOM 2625 CA GLN B 67 -15.856 -3.765 -5.819 1.00 0.68 C ATOM 2626 C GLN B 67 -15.283 -4.646 -4.709 1.00 0.61 C ATOM 2627 O GLN B 67 -15.747 -4.609 -3.569 1.00 0.66 O ATOM 2628 CB GLN B 67 -16.519 -4.560 -6.962 1.00 0.90 C ATOM 2629 CG GLN B 67 -16.662 -6.065 -6.773 1.00 0.74 C ATOM 2630 CD GLN B 67 -15.603 -6.884 -7.509 1.00 1.20 C ATOM 2631 OE1 GLN B 67 -15.814 -8.066 -7.778 1.00 2.01 O ATOM 2632 NE2 GLN B 67 -14.473 -6.267 -7.875 1.00 1.44 N ATOM 0 H GLN B 67 -14.737 -3.010 -7.411 1.00 0.63 H new ATOM 0 HA GLN B 67 -16.625 -3.162 -5.335 1.00 0.68 H new ATOM 0 HB2 GLN B 67 -17.513 -4.145 -7.130 1.00 0.90 H new ATOM 0 HB3 GLN B 67 -15.944 -4.387 -7.871 1.00 0.90 H new ATOM 0 HG2 GLN B 67 -16.610 -6.294 -5.709 1.00 0.74 H new ATOM 0 HG3 GLN B 67 -17.649 -6.372 -7.117 1.00 0.74 H new ATOM 0 HE21 GLN B 67 -14.328 -5.286 -7.637 1.00 1.44 H new ATOM 0 HE22 GLN B 67 -13.757 -6.778 -8.392 1.00 1.44 H new ATOM 2641 N ASP B 68 -14.280 -5.434 -5.056 1.00 0.59 N ATOM 2642 CA ASP B 68 -13.634 -6.324 -4.122 1.00 0.62 C ATOM 2643 C ASP B 68 -12.519 -5.617 -3.373 1.00 0.59 C ATOM 2644 O ASP B 68 -11.606 -6.275 -2.875 1.00 0.65 O ATOM 2645 CB ASP B 68 -13.078 -7.542 -4.849 1.00 0.73 C ATOM 2646 CG ASP B 68 -14.166 -8.459 -5.369 1.00 0.97 C ATOM 2647 OD1 ASP B 68 -15.183 -8.632 -4.665 1.00 1.50 O ATOM 2648 OD2 ASP B 68 -14.001 -9.004 -6.479 1.00 1.58 O ATOM 0 H ASP B 68 -13.893 -5.471 -5.999 1.00 0.59 H new ATOM 0 HA ASP B 68 -14.382 -6.649 -3.398 1.00 0.62 H new ATOM 0 HB2 ASP B 68 -12.458 -7.211 -5.682 1.00 0.73 H new ATOM 0 HB3 ASP B 68 -12.431 -8.100 -4.172 1.00 0.73 H new ATOM 2653 N SER B 69 -12.575 -4.275 -3.298 1.00 0.56 N ATOM 2654 CA SER B 69 -11.547 -3.503 -2.597 1.00 0.58 C ATOM 2655 C SER B 69 -11.157 -4.206 -1.322 1.00 0.62 C ATOM 2656 O SER B 69 -10.019 -4.139 -0.879 1.00 0.74 O ATOM 2657 CB SER B 69 -12.040 -2.097 -2.276 1.00 0.66 C ATOM 2658 OG SER B 69 -13.412 -2.106 -1.922 1.00 1.74 O ATOM 0 H SER B 69 -13.317 -3.711 -3.712 1.00 0.56 H new ATOM 0 HA SER B 69 -10.679 -3.422 -3.251 1.00 0.58 H new ATOM 0 HB2 SER B 69 -11.453 -1.680 -1.458 1.00 0.66 H new ATOM 0 HB3 SER B 69 -11.888 -1.449 -3.139 1.00 0.66 H new ATOM 0 HG SER B 69 -13.953 -1.860 -2.702 1.00 1.74 H new ATOM 2664 N GLU B 70 -12.134 -4.876 -0.745 1.00 0.63 N ATOM 2665 CA GLU B 70 -11.913 -5.664 0.436 1.00 0.76 C ATOM 2666 C GLU B 70 -12.410 -7.062 0.203 1.00 0.77 C ATOM 2667 O GLU B 70 -13.425 -7.282 -0.456 1.00 0.81 O ATOM 2668 CB GLU B 70 -12.605 -5.110 1.660 1.00 0.84 C ATOM 2669 CG GLU B 70 -12.671 -6.135 2.781 1.00 1.33 C ATOM 2670 CD GLU B 70 -12.493 -5.551 4.143 1.00 2.19 C ATOM 2671 OE1 GLU B 70 -13.085 -4.492 4.413 1.00 2.87 O ATOM 2672 OE2 GLU B 70 -11.765 -6.170 4.946 1.00 2.73 O ATOM 0 H GLU B 70 -13.096 -4.886 -1.084 1.00 0.63 H new ATOM 0 HA GLU B 70 -10.840 -5.646 0.626 1.00 0.76 H new ATOM 0 HB2 GLU B 70 -12.074 -4.224 2.008 1.00 0.84 H new ATOM 0 HB3 GLU B 70 -13.614 -4.794 1.396 1.00 0.84 H new ATOM 0 HG2 GLU B 70 -13.633 -6.645 2.738 1.00 1.33 H new ATOM 0 HG3 GLU B 70 -11.902 -6.890 2.616 1.00 1.33 H new ATOM 2679 N LEU B 71 -11.685 -7.996 0.751 1.00 0.79 N ATOM 2680 CA LEU B 71 -12.047 -9.358 0.614 1.00 0.83 C ATOM 2681 C LEU B 71 -11.685 -10.203 1.819 1.00 0.81 C ATOM 2682 O LEU B 71 -10.930 -9.798 2.703 1.00 0.86 O ATOM 2683 CB LEU B 71 -11.434 -9.927 -0.646 1.00 0.99 C ATOM 2684 CG LEU B 71 -9.933 -9.771 -0.750 1.00 0.78 C ATOM 2685 CD1 LEU B 71 -9.557 -8.293 -0.836 1.00 1.89 C ATOM 2686 CD2 LEU B 71 -9.253 -10.462 0.411 1.00 1.25 C ATOM 0 H LEU B 71 -10.839 -7.828 1.296 1.00 0.79 H new ATOM 0 HA LEU B 71 -13.134 -9.392 0.543 1.00 0.83 H new ATOM 0 HB2 LEU B 71 -11.680 -10.987 -0.705 1.00 0.99 H new ATOM 0 HB3 LEU B 71 -11.896 -9.444 -1.507 1.00 0.99 H new ATOM 0 HG LEU B 71 -9.585 -10.249 -1.665 1.00 0.78 H new ATOM 0 HD11 LEU B 71 -8.474 -8.197 -0.910 1.00 1.89 H new ATOM 0 HD12 LEU B 71 -10.022 -7.850 -1.717 1.00 1.89 H new ATOM 0 HD13 LEU B 71 -9.907 -7.776 0.058 1.00 1.89 H new ATOM 0 HD21 LEU B 71 -8.173 -10.342 0.324 1.00 1.25 H new ATOM 0 HD22 LEU B 71 -9.593 -10.020 1.347 1.00 1.25 H new ATOM 0 HD23 LEU B 71 -9.502 -11.523 0.400 1.00 1.25 H new ATOM 2698 N ARG B 72 -12.260 -11.378 1.821 1.00 0.77 N ATOM 2699 CA ARG B 72 -12.021 -12.393 2.816 1.00 0.80 C ATOM 2700 C ARG B 72 -11.338 -13.579 2.126 1.00 0.69 C ATOM 2701 O ARG B 72 -11.003 -14.571 2.773 1.00 0.76 O ATOM 2702 CB ARG B 72 -13.334 -12.889 3.441 1.00 0.91 C ATOM 2703 CG ARG B 72 -14.499 -11.922 3.338 1.00 1.00 C ATOM 2704 CD ARG B 72 -14.170 -10.577 3.951 1.00 1.06 C ATOM 2705 NE ARG B 72 -13.431 -10.718 5.204 1.00 1.30 N ATOM 2706 CZ ARG B 72 -12.614 -9.790 5.696 1.00 1.18 C ATOM 2707 NH1 ARG B 72 -12.426 -8.650 5.047 1.00 1.55 N ATOM 2708 NH2 ARG B 72 -11.981 -10.005 6.841 1.00 1.42 N ATOM 0 H ARG B 72 -12.930 -11.665 1.107 1.00 0.77 H new ATOM 0 HA ARG B 72 -11.401 -11.970 3.607 1.00 0.80 H new ATOM 0 HB2 ARG B 72 -13.616 -13.826 2.961 1.00 0.91 H new ATOM 0 HB3 ARG B 72 -13.157 -13.110 4.494 1.00 0.91 H new ATOM 0 HG2 ARG B 72 -14.768 -11.788 2.290 1.00 1.00 H new ATOM 0 HG3 ARG B 72 -15.369 -12.347 3.839 1.00 1.00 H new ATOM 0 HD2 ARG B 72 -13.581 -9.990 3.246 1.00 1.06 H new ATOM 0 HD3 ARG B 72 -15.092 -10.025 4.133 1.00 1.06 H new ATOM 0 HE ARG B 72 -13.549 -11.581 5.734 1.00 1.30 H new ATOM 0 HH11 ARG B 72 -12.909 -8.480 4.165 1.00 1.55 H new ATOM 0 HH12 ARG B 72 -11.798 -7.943 5.430 1.00 1.55 H new ATOM 0 HH21 ARG B 72 -12.120 -10.881 7.344 1.00 1.42 H new ATOM 0 HH22 ARG B 72 -11.355 -9.294 7.219 1.00 1.42 H new ATOM 2722 N PHE B 73 -11.130 -13.472 0.795 1.00 0.60 N ATOM 2723 CA PHE B 73 -10.531 -14.538 0.042 1.00 0.57 C ATOM 2724 C PHE B 73 -9.212 -14.103 -0.614 1.00 0.52 C ATOM 2725 O PHE B 73 -8.312 -13.642 0.076 1.00 0.63 O ATOM 2726 CB PHE B 73 -11.564 -15.152 -0.939 1.00 0.65 C ATOM 2727 CG PHE B 73 -12.038 -14.331 -2.127 1.00 0.59 C ATOM 2728 CD1 PHE B 73 -12.503 -13.020 -2.017 1.00 1.36 C ATOM 2729 CD2 PHE B 73 -12.003 -14.911 -3.387 1.00 1.24 C ATOM 2730 CE1 PHE B 73 -12.909 -12.326 -3.144 1.00 1.44 C ATOM 2731 CE2 PHE B 73 -12.409 -14.219 -4.503 1.00 1.32 C ATOM 2732 CZ PHE B 73 -12.857 -12.926 -4.382 1.00 0.87 C ATOM 0 H PHE B 73 -11.376 -12.650 0.243 1.00 0.60 H new ATOM 0 HA PHE B 73 -10.245 -15.340 0.723 1.00 0.57 H new ATOM 0 HB2 PHE B 73 -11.137 -16.076 -1.328 1.00 0.65 H new ATOM 0 HB3 PHE B 73 -12.444 -15.427 -0.358 1.00 0.65 H new ATOM 0 HD1 PHE B 73 -12.546 -12.545 -1.048 1.00 1.36 H new ATOM 0 HD2 PHE B 73 -11.650 -15.926 -3.493 1.00 1.24 H new ATOM 0 HE1 PHE B 73 -13.267 -11.311 -3.052 1.00 1.44 H new ATOM 0 HE2 PHE B 73 -12.376 -14.691 -5.474 1.00 1.32 H new ATOM 0 HZ PHE B 73 -13.169 -12.379 -5.260 1.00 0.87 H new ATOM 2742 N SER B 74 -9.118 -14.154 -1.928 1.00 0.48 N ATOM 2743 CA SER B 74 -7.867 -13.840 -2.608 1.00 0.48 C ATOM 2744 C SER B 74 -7.955 -12.586 -3.447 1.00 0.42 C ATOM 2745 O SER B 74 -7.087 -12.316 -4.277 1.00 0.46 O ATOM 2746 CB SER B 74 -7.398 -14.993 -3.488 1.00 0.63 C ATOM 2747 OG SER B 74 -8.459 -15.508 -4.274 1.00 1.03 O ATOM 0 H SER B 74 -9.887 -14.408 -2.548 1.00 0.48 H new ATOM 0 HA SER B 74 -7.141 -13.671 -1.813 1.00 0.48 H new ATOM 0 HB2 SER B 74 -6.593 -14.652 -4.139 1.00 0.63 H new ATOM 0 HB3 SER B 74 -6.988 -15.786 -2.863 1.00 0.63 H new ATOM 0 HG SER B 74 -8.127 -16.245 -4.829 1.00 1.03 H new ATOM 2753 N GLU B 75 -9.001 -11.826 -3.235 1.00 0.43 N ATOM 2754 CA GLU B 75 -9.176 -10.574 -3.932 1.00 0.42 C ATOM 2755 C GLU B 75 -8.224 -9.523 -3.356 1.00 0.42 C ATOM 2756 O GLU B 75 -8.194 -8.400 -3.831 1.00 0.56 O ATOM 2757 CB GLU B 75 -10.625 -10.123 -3.736 1.00 0.44 C ATOM 2758 CG GLU B 75 -11.520 -10.192 -4.960 1.00 0.59 C ATOM 2759 CD GLU B 75 -11.130 -11.264 -5.965 1.00 0.93 C ATOM 2760 OE1 GLU B 75 -10.433 -12.226 -5.579 1.00 1.60 O ATOM 2761 OE2 GLU B 75 -11.541 -11.145 -7.137 1.00 1.41 O ATOM 0 H GLU B 75 -9.749 -12.054 -2.581 1.00 0.43 H new ATOM 0 HA GLU B 75 -8.957 -10.697 -4.993 1.00 0.42 H new ATOM 0 HB2 GLU B 75 -11.071 -10.734 -2.951 1.00 0.44 H new ATOM 0 HB3 GLU B 75 -10.618 -9.095 -3.374 1.00 0.44 H new ATOM 0 HG2 GLU B 75 -12.545 -10.371 -4.636 1.00 0.59 H new ATOM 0 HG3 GLU B 75 -11.508 -9.223 -5.458 1.00 0.59 H new ATOM 2768 N TYR B 76 -7.464 -9.898 -2.302 1.00 0.38 N ATOM 2769 CA TYR B 76 -6.558 -8.976 -1.619 1.00 0.38 C ATOM 2770 C TYR B 76 -5.817 -8.039 -2.567 1.00 0.39 C ATOM 2771 O TYR B 76 -5.411 -6.947 -2.169 1.00 0.42 O ATOM 2772 CB TYR B 76 -5.582 -9.715 -0.698 1.00 0.40 C ATOM 2773 CG TYR B 76 -6.080 -9.885 0.719 1.00 0.41 C ATOM 2774 CD1 TYR B 76 -6.946 -8.968 1.309 1.00 1.29 C ATOM 2775 CD2 TYR B 76 -5.713 -10.997 1.455 1.00 1.22 C ATOM 2776 CE1 TYR B 76 -7.424 -9.155 2.577 1.00 1.29 C ATOM 2777 CE2 TYR B 76 -6.186 -11.195 2.733 1.00 1.26 C ATOM 2778 CZ TYR B 76 -7.047 -10.271 3.294 1.00 0.48 C ATOM 2779 OH TYR B 76 -7.526 -10.462 4.569 1.00 0.54 O ATOM 0 H TYR B 76 -7.468 -10.841 -1.912 1.00 0.38 H new ATOM 0 HA TYR B 76 -7.196 -8.344 -1.001 1.00 0.38 H new ATOM 0 HB2 TYR B 76 -5.375 -10.699 -1.120 1.00 0.40 H new ATOM 0 HB3 TYR B 76 -4.637 -9.172 -0.677 1.00 0.40 H new ATOM 0 HD1 TYR B 76 -7.246 -8.091 0.754 1.00 1.29 H new ATOM 0 HD2 TYR B 76 -5.043 -11.723 1.019 1.00 1.22 H new ATOM 0 HE1 TYR B 76 -8.095 -8.431 3.015 1.00 1.29 H new ATOM 0 HE2 TYR B 76 -5.886 -12.068 3.294 1.00 1.26 H new ATOM 0 HH TYR B 76 -7.164 -11.297 4.933 1.00 0.54 H new ATOM 2789 N TRP B 77 -5.632 -8.455 -3.808 1.00 0.40 N ATOM 2790 CA TRP B 77 -4.976 -7.594 -4.793 1.00 0.43 C ATOM 2791 C TRP B 77 -5.788 -6.318 -4.990 1.00 0.45 C ATOM 2792 O TRP B 77 -5.312 -5.356 -5.577 1.00 0.50 O ATOM 2793 CB TRP B 77 -4.843 -8.291 -6.142 1.00 0.45 C ATOM 2794 CG TRP B 77 -6.157 -8.756 -6.663 1.00 0.45 C ATOM 2795 CD1 TRP B 77 -7.203 -7.970 -7.029 1.00 0.50 C ATOM 2796 CD2 TRP B 77 -6.580 -10.106 -6.847 1.00 0.46 C ATOM 2797 NE1 TRP B 77 -8.243 -8.747 -7.461 1.00 0.53 N ATOM 2798 CE2 TRP B 77 -7.886 -10.068 -7.355 1.00 0.51 C ATOM 2799 CE3 TRP B 77 -5.976 -11.343 -6.641 1.00 0.47 C ATOM 2800 CZ2 TRP B 77 -8.597 -11.228 -7.657 1.00 0.56 C ATOM 2801 CZ3 TRP B 77 -6.675 -12.487 -6.931 1.00 0.53 C ATOM 2802 CH2 TRP B 77 -7.970 -12.428 -7.436 1.00 0.56 C ATOM 0 H TRP B 77 -5.920 -9.368 -4.160 1.00 0.40 H new ATOM 0 HA TRP B 77 -3.981 -7.361 -4.413 1.00 0.43 H new ATOM 0 HB2 TRP B 77 -4.390 -7.607 -6.860 1.00 0.45 H new ATOM 0 HB3 TRP B 77 -4.170 -9.143 -6.045 1.00 0.45 H new ATOM 0 HD1 TRP B 77 -7.212 -6.891 -6.985 1.00 0.50 H new ATOM 0 HE1 TRP B 77 -9.138 -8.401 -7.806 1.00 0.53 H new ATOM 0 HE3 TRP B 77 -4.968 -11.401 -6.257 1.00 0.47 H new ATOM 0 HZ2 TRP B 77 -9.602 -11.184 -8.050 1.00 0.56 H new ATOM 0 HZ3 TRP B 77 -6.213 -13.449 -6.765 1.00 0.53 H new ATOM 0 HH2 TRP B 77 -8.493 -13.346 -7.659 1.00 0.56 H new ATOM 2813 N ARG B 78 -7.036 -6.328 -4.533 1.00 0.43 N ATOM 2814 CA ARG B 78 -7.888 -5.176 -4.650 1.00 0.47 C ATOM 2815 C ARG B 78 -7.399 -4.096 -3.694 1.00 0.49 C ATOM 2816 O ARG B 78 -7.538 -2.903 -3.962 1.00 0.62 O ATOM 2817 CB ARG B 78 -9.353 -5.559 -4.399 1.00 0.50 C ATOM 2818 CG ARG B 78 -9.911 -6.543 -5.405 1.00 0.61 C ATOM 2819 CD ARG B 78 -10.476 -5.846 -6.635 1.00 0.77 C ATOM 2820 NE ARG B 78 -9.432 -5.356 -7.530 1.00 1.49 N ATOM 2821 CZ ARG B 78 -9.679 -4.715 -8.667 1.00 1.76 C ATOM 2822 NH1 ARG B 78 -10.929 -4.495 -9.047 1.00 1.37 N ATOM 2823 NH2 ARG B 78 -8.677 -4.297 -9.427 1.00 2.83 N ATOM 0 H ARG B 78 -7.471 -7.131 -4.078 1.00 0.43 H new ATOM 0 HA ARG B 78 -7.841 -4.779 -5.664 1.00 0.47 H new ATOM 0 HB2 ARG B 78 -9.440 -5.987 -3.400 1.00 0.50 H new ATOM 0 HB3 ARG B 78 -9.962 -4.655 -4.413 1.00 0.50 H new ATOM 0 HG2 ARG B 78 -9.125 -7.234 -5.710 1.00 0.61 H new ATOM 0 HG3 ARG B 78 -10.694 -7.138 -4.934 1.00 0.61 H new ATOM 0 HD2 ARG B 78 -11.119 -6.539 -7.178 1.00 0.77 H new ATOM 0 HD3 ARG B 78 -11.101 -5.011 -6.320 1.00 0.77 H new ATOM 0 HE ARG B 78 -8.459 -5.515 -7.268 1.00 1.49 H new ATOM 0 HH11 ARG B 78 -11.703 -4.818 -8.466 1.00 1.37 H new ATOM 0 HH12 ARG B 78 -11.117 -4.003 -9.920 1.00 1.37 H new ATOM 0 HH21 ARG B 78 -7.713 -4.467 -9.139 1.00 2.83 H new ATOM 0 HH22 ARG B 78 -8.870 -3.805 -10.300 1.00 2.83 H new ATOM 2837 N LEU B 79 -6.817 -4.531 -2.574 1.00 0.42 N ATOM 2838 CA LEU B 79 -6.238 -3.607 -1.607 1.00 0.45 C ATOM 2839 C LEU B 79 -4.968 -3.017 -2.194 1.00 0.46 C ATOM 2840 O LEU B 79 -4.566 -1.905 -1.856 1.00 0.53 O ATOM 2841 CB LEU B 79 -5.854 -4.311 -0.297 1.00 0.53 C ATOM 2842 CG LEU B 79 -6.711 -5.496 0.168 1.00 0.62 C ATOM 2843 CD1 LEU B 79 -5.985 -6.209 1.299 1.00 1.23 C ATOM 2844 CD2 LEU B 79 -8.073 -5.026 0.645 1.00 0.88 C ATOM 0 H LEU B 79 -6.736 -5.515 -2.318 1.00 0.42 H new ATOM 0 HA LEU B 79 -6.986 -2.843 -1.393 1.00 0.45 H new ATOM 0 HB2 LEU B 79 -4.827 -4.662 -0.396 1.00 0.53 H new ATOM 0 HB3 LEU B 79 -5.860 -3.564 0.497 1.00 0.53 H new ATOM 0 HG LEU B 79 -6.864 -6.177 -0.670 1.00 0.62 H new ATOM 0 HD11 LEU B 79 -6.583 -7.054 1.640 1.00 1.23 H new ATOM 0 HD12 LEU B 79 -5.020 -6.568 0.942 1.00 1.23 H new ATOM 0 HD13 LEU B 79 -5.831 -5.516 2.126 1.00 1.23 H new ATOM 0 HD21 LEU B 79 -8.661 -5.885 0.969 1.00 0.88 H new ATOM 0 HD22 LEU B 79 -7.948 -4.336 1.479 1.00 0.88 H new ATOM 0 HD23 LEU B 79 -8.589 -4.520 -0.171 1.00 0.88 H new ATOM 2856 N ILE B 80 -4.339 -3.786 -3.078 1.00 0.44 N ATOM 2857 CA ILE B 80 -3.099 -3.385 -3.720 1.00 0.48 C ATOM 2858 C ILE B 80 -3.098 -1.896 -4.099 1.00 0.48 C ATOM 2859 O ILE B 80 -2.167 -1.164 -3.761 1.00 0.51 O ATOM 2860 CB ILE B 80 -2.811 -4.296 -4.952 1.00 0.52 C ATOM 2861 CG1 ILE B 80 -1.315 -4.574 -5.055 1.00 0.59 C ATOM 2862 CG2 ILE B 80 -3.330 -3.702 -6.258 1.00 0.55 C ATOM 2863 CD1 ILE B 80 -0.750 -5.287 -3.843 1.00 1.16 C ATOM 0 H ILE B 80 -4.677 -4.704 -3.367 1.00 0.44 H new ATOM 0 HA ILE B 80 -2.291 -3.517 -3.000 1.00 0.48 H new ATOM 0 HB ILE B 80 -3.350 -5.231 -4.795 1.00 0.52 H new ATOM 0 HG12 ILE B 80 -1.125 -5.177 -5.943 1.00 0.59 H new ATOM 0 HG13 ILE B 80 -0.786 -3.631 -5.191 1.00 0.59 H new ATOM 0 HG21 ILE B 80 -3.102 -4.379 -7.082 1.00 0.55 H new ATOM 0 HG22 ILE B 80 -4.409 -3.563 -6.191 1.00 0.55 H new ATOM 0 HG23 ILE B 80 -2.851 -2.739 -6.436 1.00 0.55 H new ATOM 0 HD11 ILE B 80 0.318 -5.453 -3.984 1.00 1.16 H new ATOM 0 HD12 ILE B 80 -0.908 -4.676 -2.955 1.00 1.16 H new ATOM 0 HD13 ILE B 80 -1.253 -6.246 -3.718 1.00 1.16 H new ATOM 2875 N GLY B 81 -4.141 -1.458 -4.796 1.00 0.47 N ATOM 2876 CA GLY B 81 -4.231 -0.067 -5.197 1.00 0.49 C ATOM 2877 C GLY B 81 -4.748 0.837 -4.090 1.00 0.43 C ATOM 2878 O GLY B 81 -4.699 2.061 -4.210 1.00 0.43 O ATOM 0 H GLY B 81 -4.925 -2.041 -5.090 1.00 0.47 H new ATOM 0 HA2 GLY B 81 -3.246 0.279 -5.512 1.00 0.49 H new ATOM 0 HA3 GLY B 81 -4.889 0.014 -6.062 1.00 0.49 H new ATOM 2882 N GLU B 82 -5.248 0.237 -3.009 1.00 0.42 N ATOM 2883 CA GLU B 82 -5.786 0.996 -1.892 1.00 0.39 C ATOM 2884 C GLU B 82 -4.686 1.485 -0.977 1.00 0.33 C ATOM 2885 O GLU B 82 -4.598 2.671 -0.671 1.00 0.34 O ATOM 2886 CB GLU B 82 -6.732 0.134 -1.100 1.00 0.44 C ATOM 2887 CG GLU B 82 -7.851 -0.468 -1.928 1.00 0.46 C ATOM 2888 CD GLU B 82 -9.013 -0.925 -1.071 1.00 0.72 C ATOM 2889 OE1 GLU B 82 -8.923 -2.022 -0.483 1.00 1.39 O ATOM 2890 OE2 GLU B 82 -10.009 -0.178 -0.979 1.00 1.48 O ATOM 0 H GLU B 82 -5.289 -0.775 -2.888 1.00 0.42 H new ATOM 0 HA GLU B 82 -6.311 1.860 -2.299 1.00 0.39 H new ATOM 0 HB2 GLU B 82 -6.168 -0.671 -0.629 1.00 0.44 H new ATOM 0 HB3 GLU B 82 -7.167 0.730 -0.298 1.00 0.44 H new ATOM 0 HG2 GLU B 82 -8.202 0.268 -2.651 1.00 0.46 H new ATOM 0 HG3 GLU B 82 -7.466 -1.315 -2.496 1.00 0.46 H new ATOM 2897 N LEU B 83 -3.853 0.557 -0.511 1.00 0.34 N ATOM 2898 CA LEU B 83 -2.750 0.916 0.367 1.00 0.35 C ATOM 2899 C LEU B 83 -1.918 1.983 -0.304 1.00 0.34 C ATOM 2900 O LEU B 83 -1.136 2.672 0.342 1.00 0.41 O ATOM 2901 CB LEU B 83 -1.885 -0.301 0.700 1.00 0.43 C ATOM 2902 CG LEU B 83 -2.523 -1.330 1.636 1.00 0.50 C ATOM 2903 CD1 LEU B 83 -3.680 -2.041 0.950 1.00 1.27 C ATOM 2904 CD2 LEU B 83 -1.481 -2.332 2.108 1.00 1.31 C ATOM 0 H LEU B 83 -3.922 -0.438 -0.726 1.00 0.34 H new ATOM 0 HA LEU B 83 -3.155 1.296 1.305 1.00 0.35 H new ATOM 0 HB2 LEU B 83 -1.618 -0.800 -0.231 1.00 0.43 H new ATOM 0 HB3 LEU B 83 -0.957 0.048 1.152 1.00 0.43 H new ATOM 0 HG LEU B 83 -2.918 -0.805 2.506 1.00 0.50 H new ATOM 0 HD11 LEU B 83 -4.118 -2.768 1.634 1.00 1.27 H new ATOM 0 HD12 LEU B 83 -4.437 -1.311 0.663 1.00 1.27 H new ATOM 0 HD13 LEU B 83 -3.315 -2.555 0.060 1.00 1.27 H new ATOM 0 HD21 LEU B 83 -1.949 -3.058 2.773 1.00 1.31 H new ATOM 0 HD22 LEU B 83 -1.057 -2.849 1.247 1.00 1.31 H new ATOM 0 HD23 LEU B 83 -0.689 -1.808 2.643 1.00 1.31 H new ATOM 2916 N ALA B 84 -2.042 2.074 -1.621 1.00 0.34 N ATOM 2917 CA ALA B 84 -1.351 3.116 -2.341 1.00 0.37 C ATOM 2918 C ALA B 84 -2.164 4.401 -2.260 1.00 0.41 C ATOM 2919 O ALA B 84 -1.618 5.500 -2.182 1.00 0.47 O ATOM 2920 CB ALA B 84 -1.112 2.719 -3.782 1.00 0.41 C ATOM 0 H ALA B 84 -2.605 1.448 -2.197 1.00 0.34 H new ATOM 0 HA ALA B 84 -0.374 3.277 -1.884 1.00 0.37 H new ATOM 0 HB1 ALA B 84 -0.590 3.524 -4.299 1.00 0.41 H new ATOM 0 HB2 ALA B 84 -0.506 1.814 -3.814 1.00 0.41 H new ATOM 0 HB3 ALA B 84 -2.068 2.533 -4.272 1.00 0.41 H new ATOM 2926 N LYS B 85 -3.489 4.237 -2.271 1.00 0.42 N ATOM 2927 CA LYS B 85 -4.430 5.353 -2.177 1.00 0.51 C ATOM 2928 C LYS B 85 -3.985 6.353 -1.133 1.00 0.50 C ATOM 2929 O LYS B 85 -4.296 7.535 -1.207 1.00 0.67 O ATOM 2930 CB LYS B 85 -5.815 4.832 -1.824 1.00 0.62 C ATOM 2931 CG LYS B 85 -6.925 5.540 -2.567 1.00 1.19 C ATOM 2932 CD LYS B 85 -6.914 5.191 -4.048 1.00 1.44 C ATOM 2933 CE LYS B 85 -7.272 3.731 -4.280 1.00 1.56 C ATOM 2934 NZ LYS B 85 -7.223 3.368 -5.724 1.00 2.69 N ATOM 0 H LYS B 85 -3.939 3.325 -2.345 1.00 0.42 H new ATOM 0 HA LYS B 85 -4.461 5.854 -3.145 1.00 0.51 H new ATOM 0 HB2 LYS B 85 -5.862 3.765 -2.044 1.00 0.62 H new ATOM 0 HB3 LYS B 85 -5.976 4.943 -0.752 1.00 0.62 H new ATOM 0 HG2 LYS B 85 -7.887 5.265 -2.134 1.00 1.19 H new ATOM 0 HG3 LYS B 85 -6.817 6.618 -2.445 1.00 1.19 H new ATOM 0 HD2 LYS B 85 -7.621 5.829 -4.578 1.00 1.44 H new ATOM 0 HD3 LYS B 85 -5.927 5.395 -4.464 1.00 1.44 H new ATOM 0 HE2 LYS B 85 -6.583 3.096 -3.723 1.00 1.56 H new ATOM 0 HE3 LYS B 85 -8.271 3.536 -3.891 1.00 1.56 H new ATOM 0 HZ1 LYS B 85 -7.473 2.365 -5.839 1.00 2.69 H new ATOM 0 HZ2 LYS B 85 -7.898 3.956 -6.253 1.00 2.69 H new ATOM 0 HZ3 LYS B 85 -6.263 3.529 -6.090 1.00 2.69 H new ATOM 2948 N GLU B 86 -3.298 5.853 -0.139 1.00 0.44 N ATOM 2949 CA GLU B 86 -2.789 6.692 0.925 1.00 0.45 C ATOM 2950 C GLU B 86 -1.460 7.345 0.537 1.00 0.44 C ATOM 2951 O GLU B 86 -1.255 8.534 0.768 1.00 0.48 O ATOM 2952 CB GLU B 86 -2.632 5.877 2.210 1.00 0.48 C ATOM 2953 CG GLU B 86 -2.033 4.509 1.994 1.00 0.98 C ATOM 2954 CD GLU B 86 -1.568 3.855 3.278 1.00 2.07 C ATOM 2955 OE1 GLU B 86 -0.719 4.450 3.973 1.00 2.90 O ATOM 2956 OE2 GLU B 86 -2.052 2.746 3.588 1.00 2.60 O ATOM 0 H GLU B 86 -3.075 4.863 -0.040 1.00 0.44 H new ATOM 0 HA GLU B 86 -3.510 7.491 1.098 1.00 0.45 H new ATOM 0 HB2 GLU B 86 -2.004 6.432 2.907 1.00 0.48 H new ATOM 0 HB3 GLU B 86 -3.609 5.766 2.680 1.00 0.48 H new ATOM 0 HG2 GLU B 86 -2.771 3.867 1.513 1.00 0.98 H new ATOM 0 HG3 GLU B 86 -1.189 4.592 1.309 1.00 0.98 H new ATOM 2963 N VAL B 87 -0.566 6.557 -0.059 1.00 0.44 N ATOM 2964 CA VAL B 87 0.759 7.043 -0.450 1.00 0.46 C ATOM 2965 C VAL B 87 0.758 7.800 -1.781 1.00 0.46 C ATOM 2966 O VAL B 87 1.671 8.578 -2.058 1.00 0.54 O ATOM 2967 CB VAL B 87 1.768 5.879 -0.519 1.00 0.55 C ATOM 2968 CG1 VAL B 87 3.185 6.396 -0.688 1.00 1.01 C ATOM 2969 CG2 VAL B 87 1.663 5.016 0.727 1.00 0.81 C ATOM 0 H VAL B 87 -0.735 5.576 -0.283 1.00 0.44 H new ATOM 0 HA VAL B 87 1.059 7.751 0.323 1.00 0.46 H new ATOM 0 HB VAL B 87 1.525 5.270 -1.390 1.00 0.55 H new ATOM 0 HG11 VAL B 87 3.876 5.555 -0.734 1.00 1.01 H new ATOM 0 HG12 VAL B 87 3.254 6.973 -1.610 1.00 1.01 H new ATOM 0 HG13 VAL B 87 3.444 7.032 0.158 1.00 1.01 H new ATOM 0 HG21 VAL B 87 2.381 4.198 0.665 1.00 0.81 H new ATOM 0 HG22 VAL B 87 1.878 5.621 1.608 1.00 0.81 H new ATOM 0 HG23 VAL B 87 0.655 4.609 0.804 1.00 0.81 H new ATOM 2979 N ARG B 88 -0.265 7.589 -2.594 1.00 0.49 N ATOM 2980 CA ARG B 88 -0.351 8.247 -3.896 1.00 0.51 C ATOM 2981 C ARG B 88 -0.274 9.767 -3.770 1.00 0.50 C ATOM 2982 O ARG B 88 0.748 10.375 -4.079 1.00 0.58 O ATOM 2983 CB ARG B 88 -1.645 7.841 -4.602 1.00 0.56 C ATOM 2984 CG ARG B 88 -1.782 8.419 -5.999 1.00 0.67 C ATOM 2985 CD ARG B 88 -3.042 7.919 -6.687 1.00 1.33 C ATOM 2986 NE ARG B 88 -3.203 8.496 -8.018 1.00 1.83 N ATOM 2987 CZ ARG B 88 -4.207 8.194 -8.834 1.00 2.72 C ATOM 2988 NH1 ARG B 88 -5.136 7.327 -8.454 1.00 3.25 N ATOM 2989 NH2 ARG B 88 -4.285 8.760 -10.031 1.00 3.50 N ATOM 0 H ARG B 88 -1.047 6.970 -2.380 1.00 0.49 H new ATOM 0 HA ARG B 88 0.504 7.923 -4.489 1.00 0.51 H new ATOM 0 HB2 ARG B 88 -1.691 6.754 -4.662 1.00 0.56 H new ATOM 0 HB3 ARG B 88 -2.494 8.163 -4.000 1.00 0.56 H new ATOM 0 HG2 ARG B 88 -1.804 9.507 -5.943 1.00 0.67 H new ATOM 0 HG3 ARG B 88 -0.909 8.148 -6.593 1.00 0.67 H new ATOM 0 HD2 ARG B 88 -3.006 6.832 -6.765 1.00 1.33 H new ATOM 0 HD3 ARG B 88 -3.911 8.166 -6.077 1.00 1.33 H new ATOM 0 HE ARG B 88 -2.506 9.168 -8.339 1.00 1.83 H new ATOM 0 HH11 ARG B 88 -5.080 6.891 -7.534 1.00 3.25 H new ATOM 0 HH12 ARG B 88 -5.906 7.097 -9.082 1.00 3.25 H new ATOM 0 HH21 ARG B 88 -3.573 9.428 -10.326 1.00 3.50 H new ATOM 0 HH22 ARG B 88 -5.057 8.527 -10.656 1.00 3.50 H new ATOM 3003 N LYS B 89 -1.359 10.365 -3.306 1.00 0.47 N ATOM 3004 CA LYS B 89 -1.444 11.812 -3.136 1.00 0.49 C ATOM 3005 C LYS B 89 -0.344 12.284 -2.222 1.00 0.48 C ATOM 3006 O LYS B 89 0.188 13.385 -2.364 1.00 0.53 O ATOM 3007 CB LYS B 89 -2.794 12.211 -2.539 1.00 0.56 C ATOM 3008 CG LYS B 89 -3.163 11.458 -1.262 1.00 0.69 C ATOM 3009 CD LYS B 89 -4.454 10.647 -1.452 1.00 1.55 C ATOM 3010 CE LYS B 89 -4.432 9.745 -2.684 1.00 2.46 C ATOM 3011 NZ LYS B 89 -5.718 9.026 -2.871 1.00 3.29 N ATOM 0 H LYS B 89 -2.206 9.865 -3.036 1.00 0.47 H new ATOM 0 HA LYS B 89 -1.339 12.276 -4.117 1.00 0.49 H new ATOM 0 HB2 LYS B 89 -2.782 13.280 -2.326 1.00 0.56 H new ATOM 0 HB3 LYS B 89 -3.572 12.043 -3.284 1.00 0.56 H new ATOM 0 HG2 LYS B 89 -2.348 10.790 -0.981 1.00 0.69 H new ATOM 0 HG3 LYS B 89 -3.292 12.166 -0.443 1.00 0.69 H new ATOM 0 HD2 LYS B 89 -4.622 10.034 -0.566 1.00 1.55 H new ATOM 0 HD3 LYS B 89 -5.297 11.334 -1.530 1.00 1.55 H new ATOM 0 HE2 LYS B 89 -4.220 10.345 -3.569 1.00 2.46 H new ATOM 0 HE3 LYS B 89 -3.623 9.021 -2.589 1.00 2.46 H new ATOM 0 HZ1 LYS B 89 -5.627 8.350 -3.656 1.00 3.29 H new ATOM 0 HZ2 LYS B 89 -5.959 8.513 -1.999 1.00 3.29 H new ATOM 0 HZ3 LYS B 89 -6.470 9.711 -3.089 1.00 3.29 H new ATOM 3025 N GLU B 90 -0.018 11.428 -1.279 1.00 0.47 N ATOM 3026 CA GLU B 90 1.016 11.702 -0.323 1.00 0.52 C ATOM 3027 C GLU B 90 2.377 11.749 -1.003 1.00 0.56 C ATOM 3028 O GLU B 90 3.368 12.159 -0.400 1.00 0.62 O ATOM 3029 CB GLU B 90 0.959 10.630 0.748 1.00 0.56 C ATOM 3030 CG GLU B 90 -0.220 10.814 1.673 1.00 0.62 C ATOM 3031 CD GLU B 90 -0.137 12.109 2.460 1.00 1.24 C ATOM 3032 OE1 GLU B 90 0.497 12.111 3.536 1.00 1.93 O ATOM 3033 OE2 GLU B 90 -0.706 13.120 1.998 1.00 1.93 O ATOM 0 H GLU B 90 -0.468 10.521 -1.159 1.00 0.47 H new ATOM 0 HA GLU B 90 0.863 12.679 0.135 1.00 0.52 H new ATOM 0 HB2 GLU B 90 0.899 9.649 0.276 1.00 0.56 H new ATOM 0 HB3 GLU B 90 1.881 10.649 1.329 1.00 0.56 H new ATOM 0 HG2 GLU B 90 -1.141 10.804 1.090 1.00 0.62 H new ATOM 0 HG3 GLU B 90 -0.271 9.973 2.365 1.00 0.62 H new ATOM 3040 N LYS B 91 2.422 11.323 -2.267 1.00 0.54 N ATOM 3041 CA LYS B 91 3.654 11.351 -3.023 1.00 0.61 C ATOM 3042 C LYS B 91 4.168 12.778 -3.137 1.00 0.63 C ATOM 3043 O LYS B 91 5.326 13.061 -2.834 1.00 0.70 O ATOM 3044 CB LYS B 91 3.454 10.734 -4.404 1.00 0.62 C ATOM 3045 CG LYS B 91 2.774 11.644 -5.419 1.00 0.61 C ATOM 3046 CD LYS B 91 2.501 10.914 -6.725 1.00 0.67 C ATOM 3047 CE LYS B 91 1.767 11.803 -7.716 1.00 0.70 C ATOM 3048 NZ LYS B 91 1.485 11.094 -8.995 1.00 1.38 N ATOM 0 H LYS B 91 1.618 10.958 -2.778 1.00 0.54 H new ATOM 0 HA LYS B 91 4.400 10.757 -2.495 1.00 0.61 H new ATOM 0 HB2 LYS B 91 4.426 10.437 -4.798 1.00 0.62 H new ATOM 0 HB3 LYS B 91 2.862 9.825 -4.298 1.00 0.62 H new ATOM 0 HG2 LYS B 91 1.836 12.016 -5.006 1.00 0.61 H new ATOM 0 HG3 LYS B 91 3.404 12.512 -5.611 1.00 0.61 H new ATOM 0 HD2 LYS B 91 3.443 10.581 -7.161 1.00 0.67 H new ATOM 0 HD3 LYS B 91 1.908 10.021 -6.527 1.00 0.67 H new ATOM 0 HE2 LYS B 91 0.830 12.142 -7.275 1.00 0.70 H new ATOM 0 HE3 LYS B 91 2.364 12.692 -7.918 1.00 0.70 H new ATOM 0 HZ1 LYS B 91 0.984 11.734 -9.644 1.00 1.38 H new ATOM 0 HZ2 LYS B 91 2.380 10.792 -9.430 1.00 1.38 H new ATOM 0 HZ3 LYS B 91 0.894 10.260 -8.806 1.00 1.38 H new ATOM 3062 N ALA B 92 3.293 13.673 -3.581 1.00 0.60 N ATOM 3063 CA ALA B 92 3.644 15.077 -3.733 1.00 0.65 C ATOM 3064 C ALA B 92 3.538 15.824 -2.409 1.00 0.63 C ATOM 3065 O ALA B 92 4.064 16.925 -2.274 1.00 0.69 O ATOM 3066 CB ALA B 92 2.766 15.732 -4.787 1.00 0.73 C ATOM 0 H ALA B 92 2.333 13.449 -3.842 1.00 0.60 H new ATOM 0 HA ALA B 92 4.682 15.128 -4.060 1.00 0.65 H new ATOM 0 HB1 ALA B 92 3.041 16.782 -4.889 1.00 0.73 H new ATOM 0 HB2 ALA B 92 2.906 15.226 -5.742 1.00 0.73 H new ATOM 0 HB3 ALA B 92 1.721 15.658 -4.487 1.00 0.73 H new ATOM 3072 N LEU B 93 2.824 15.247 -1.448 1.00 0.62 N ATOM 3073 CA LEU B 93 2.682 15.874 -0.141 1.00 0.65 C ATOM 3074 C LEU B 93 3.903 15.579 0.723 1.00 0.59 C ATOM 3075 O LEU B 93 4.263 16.366 1.599 1.00 0.63 O ATOM 3076 CB LEU B 93 1.409 15.402 0.559 1.00 0.74 C ATOM 3077 CG LEU B 93 0.829 16.397 1.564 1.00 0.81 C ATOM 3078 CD1 LEU B 93 -0.684 16.260 1.643 1.00 1.03 C ATOM 3079 CD2 LEU B 93 1.451 16.196 2.938 1.00 0.95 C ATOM 0 H LEU B 93 2.339 14.355 -1.548 1.00 0.62 H new ATOM 0 HA LEU B 93 2.607 16.951 -0.288 1.00 0.65 H new ATOM 0 HB2 LEU B 93 0.653 15.186 -0.196 1.00 0.74 H new ATOM 0 HB3 LEU B 93 1.620 14.465 1.075 1.00 0.74 H new ATOM 0 HG LEU B 93 1.067 17.404 1.221 1.00 0.81 H new ATOM 0 HD11 LEU B 93 -1.077 16.977 2.364 1.00 1.03 H new ATOM 0 HD12 LEU B 93 -1.119 16.455 0.663 1.00 1.03 H new ATOM 0 HD13 LEU B 93 -0.942 15.249 1.959 1.00 1.03 H new ATOM 0 HD21 LEU B 93 1.025 16.914 3.639 1.00 0.95 H new ATOM 0 HD22 LEU B 93 1.246 15.184 3.286 1.00 0.95 H new ATOM 0 HD23 LEU B 93 2.529 16.346 2.875 1.00 0.95 H new ATOM 3091 N GLY B 94 4.537 14.436 0.466 1.00 0.53 N ATOM 3092 CA GLY B 94 5.716 14.054 1.223 1.00 0.51 C ATOM 3093 C GLY B 94 6.724 15.177 1.309 1.00 0.52 C ATOM 3094 O GLY B 94 7.275 15.444 2.373 1.00 0.57 O ATOM 0 H GLY B 94 4.255 13.769 -0.252 1.00 0.53 H new ATOM 0 HA2 GLY B 94 5.420 13.755 2.229 1.00 0.51 H new ATOM 0 HA3 GLY B 94 6.180 13.185 0.756 1.00 0.51 H new ATOM 3098 N ILE B 95 6.962 15.837 0.182 1.00 0.53 N ATOM 3099 CA ILE B 95 7.902 16.947 0.138 1.00 0.57 C ATOM 3100 C ILE B 95 7.450 18.057 1.075 1.00 0.60 C ATOM 3101 O ILE B 95 6.816 19.023 0.650 1.00 0.67 O ATOM 3102 CB ILE B 95 8.036 17.514 -1.287 1.00 0.63 C ATOM 3103 CG1 ILE B 95 9.032 18.674 -1.318 1.00 1.32 C ATOM 3104 CG2 ILE B 95 6.680 17.964 -1.789 1.00 1.13 C ATOM 3105 CD1 ILE B 95 9.464 19.059 -2.717 1.00 1.68 C ATOM 0 H ILE B 95 6.518 15.623 -0.711 1.00 0.53 H new ATOM 0 HA ILE B 95 8.873 16.567 0.455 1.00 0.57 H new ATOM 0 HB ILE B 95 8.414 16.729 -1.942 1.00 0.63 H new ATOM 0 HG12 ILE B 95 8.584 19.541 -0.833 1.00 1.32 H new ATOM 0 HG13 ILE B 95 9.913 18.403 -0.736 1.00 1.32 H new ATOM 0 HG21 ILE B 95 6.780 18.365 -2.798 1.00 1.13 H new ATOM 0 HG22 ILE B 95 5.997 17.115 -1.802 1.00 1.13 H new ATOM 0 HG23 ILE B 95 6.286 18.737 -1.129 1.00 1.13 H new ATOM 0 HD11 ILE B 95 10.170 19.888 -2.665 1.00 1.68 H new ATOM 0 HD12 ILE B 95 9.941 18.205 -3.198 1.00 1.68 H new ATOM 0 HD13 ILE B 95 8.592 19.361 -3.297 1.00 1.68 H new ATOM 3117 N ARG B 96 7.777 17.920 2.352 1.00 0.64 N ATOM 3118 CA ARG B 96 7.385 18.930 3.328 1.00 0.74 C ATOM 3119 C ARG B 96 8.198 20.184 3.088 1.00 0.82 C ATOM 3120 O ARG B 96 7.728 21.304 3.291 1.00 0.93 O ATOM 3121 CB ARG B 96 7.566 18.441 4.768 1.00 0.84 C ATOM 3122 CG ARG B 96 8.928 17.841 5.048 1.00 1.65 C ATOM 3123 CD ARG B 96 8.855 16.328 5.066 1.00 2.45 C ATOM 3124 NE ARG B 96 8.106 15.832 6.216 1.00 2.91 N ATOM 3125 CZ ARG B 96 7.979 14.543 6.512 1.00 3.85 C ATOM 3126 NH1 ARG B 96 8.555 13.626 5.748 1.00 4.47 N ATOM 3127 NH2 ARG B 96 7.274 14.171 7.572 1.00 4.48 N ATOM 0 H ARG B 96 8.304 17.134 2.733 1.00 0.64 H new ATOM 0 HA ARG B 96 6.323 19.141 3.199 1.00 0.74 H new ATOM 0 HB2 ARG B 96 7.402 19.277 5.448 1.00 0.84 H new ATOM 0 HB3 ARG B 96 6.800 17.697 4.987 1.00 0.84 H new ATOM 0 HG2 ARG B 96 9.637 18.166 4.287 1.00 1.65 H new ATOM 0 HG3 ARG B 96 9.300 18.203 6.006 1.00 1.65 H new ATOM 0 HD2 ARG B 96 8.385 15.976 4.148 1.00 2.45 H new ATOM 0 HD3 ARG B 96 9.864 15.916 5.085 1.00 2.45 H new ATOM 0 HE ARG B 96 7.655 16.513 6.827 1.00 2.91 H new ATOM 0 HH11 ARG B 96 9.097 13.909 4.932 1.00 4.47 H new ATOM 0 HH12 ARG B 96 8.457 12.637 5.976 1.00 4.47 H new ATOM 0 HH21 ARG B 96 6.829 14.875 8.161 1.00 4.48 H new ATOM 0 HH22 ARG B 96 7.177 13.181 7.798 1.00 4.48 H new ATOM 3141 N LYS B 97 9.430 19.971 2.654 1.00 0.82 N ATOM 3142 CA LYS B 97 10.333 21.064 2.336 1.00 0.94 C ATOM 3143 C LYS B 97 9.922 21.698 1.013 1.00 0.93 C ATOM 3144 O LYS B 97 10.475 21.381 -0.039 1.00 0.98 O ATOM 3145 CB LYS B 97 11.773 20.548 2.242 1.00 1.07 C ATOM 3146 CG LYS B 97 11.887 19.220 1.507 1.00 1.00 C ATOM 3147 CD LYS B 97 12.923 19.259 0.402 1.00 1.56 C ATOM 3148 CE LYS B 97 12.811 18.024 -0.476 1.00 1.83 C ATOM 3149 NZ LYS B 97 12.602 18.376 -1.907 1.00 2.90 N ATOM 0 H LYS B 97 9.829 19.043 2.513 1.00 0.82 H new ATOM 0 HA LYS B 97 10.279 21.812 3.127 1.00 0.94 H new ATOM 0 HB2 LYS B 97 12.386 21.292 1.733 1.00 1.07 H new ATOM 0 HB3 LYS B 97 12.178 20.435 3.248 1.00 1.07 H new ATOM 0 HG2 LYS B 97 12.147 18.436 2.218 1.00 1.00 H new ATOM 0 HG3 LYS B 97 10.918 18.958 1.083 1.00 1.00 H new ATOM 0 HD2 LYS B 97 12.785 20.156 -0.202 1.00 1.56 H new ATOM 0 HD3 LYS B 97 13.922 19.316 0.834 1.00 1.56 H new ATOM 0 HE2 LYS B 97 13.717 17.426 -0.378 1.00 1.83 H new ATOM 0 HE3 LYS B 97 11.982 17.406 -0.130 1.00 1.83 H new ATOM 0 HZ1 LYS B 97 12.049 17.628 -2.371 1.00 2.90 H new ATOM 0 HZ2 LYS B 97 12.088 19.278 -1.971 1.00 2.90 H new ATOM 0 HZ3 LYS B 97 13.524 18.469 -2.380 1.00 2.90 H new ATOM 3163 N LYS B 98 8.941 22.589 1.077 1.00 0.96 N ATOM 3164 CA LYS B 98 8.446 23.269 -0.111 1.00 1.06 C ATOM 3165 C LYS B 98 8.813 24.748 -0.088 1.00 1.21 C ATOM 3166 O LYS B 98 8.030 25.544 0.472 1.00 1.61 O ATOM 3167 CB LYS B 98 6.928 23.099 -0.218 1.00 1.07 C ATOM 3168 CG LYS B 98 6.503 21.844 -0.969 1.00 1.07 C ATOM 3169 CD LYS B 98 6.579 22.049 -2.473 1.00 1.52 C ATOM 3170 CE LYS B 98 6.195 20.788 -3.231 1.00 2.00 C ATOM 3171 NZ LYS B 98 6.089 21.030 -4.696 1.00 2.73 N ATOM 3172 OXT LYS B 98 9.884 25.100 -0.628 1.00 1.70 O ATOM 0 H LYS B 98 8.472 22.858 1.942 1.00 0.96 H new ATOM 0 HA LYS B 98 8.917 22.819 -0.985 1.00 1.06 H new ATOM 0 HB2 LYS B 98 6.503 23.073 0.785 1.00 1.07 H new ATOM 0 HB3 LYS B 98 6.508 23.971 -0.719 1.00 1.07 H new ATOM 0 HG2 LYS B 98 7.143 21.010 -0.680 1.00 1.07 H new ATOM 0 HG3 LYS B 98 5.485 21.576 -0.687 1.00 1.07 H new ATOM 0 HD2 LYS B 98 5.917 22.864 -2.763 1.00 1.52 H new ATOM 0 HD3 LYS B 98 7.591 22.346 -2.749 1.00 1.52 H new ATOM 0 HE2 LYS B 98 6.938 20.012 -3.044 1.00 2.00 H new ATOM 0 HE3 LYS B 98 5.242 20.415 -2.855 1.00 2.00 H new ATOM 0 HZ1 LYS B 98 5.825 20.146 -5.176 1.00 2.73 H new ATOM 0 HZ2 LYS B 98 5.363 21.752 -4.877 1.00 2.73 H new ATOM 0 HZ3 LYS B 98 7.005 21.362 -5.060 1.00 2.73 H new TER 3186 LYS B 98