USER MOD reduce.3.24.130724 H: found=0, std=0, add=1057, rem=0, adj=45 USER MOD reduce.3.24.130724 removed 1057 hydrogens (6 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 5 LYS NZ :NH3+ 153:sc= 1.45 (180deg=-0.452) USER MOD Set 1.2: A 131 SER OG : rot 76:sc= 1.86 USER MOD Set 2.1: A 116 THR OG1 : rot -167:sc= 2.12 USER MOD Set 2.2: A 121 LYS NZ :NH3+ -159:sc= 2.91 (180deg=1.36) USER MOD Set 3.1: A 60 MET CE :methyl -179:sc= -1.81 (180deg=-1.81) USER MOD Set 3.2: A 95 HIS : no HD1:sc= 0.907 K(o=-0.9,f=-9!) USER MOD Set 4.1: A 34 HIS : no HE2:sc= 0.339 K(o=-0.044,f=-13!) USER MOD Set 4.2: A 56 GLN : amide:sc= -0.383 K(o=-0.044,f=-5.4!) USER MOD Set 5.1: A 33 GLN : amide:sc= 0.381 K(o=1.2,f=-3!) USER MOD Set 5.2: A 51 SER OG : rot 80:sc= 0.817 USER MOD Set 6.1: A 48 TYR OH : rot 30:sc= 0.35 USER MOD Set 6.2: A 50 LYS NZ :NH3+ -176:sc= 1.02 (180deg=0) USER MOD Set 7.1: A 40 SER OG : rot 40:sc= 2.14 USER MOD Set 7.2: A 132 SER OG : rot 27:sc= -0.536 USER MOD Set 8.1: A 36 GLN : amide:sc= 1.28 K(o=1.3,f=-0.27) USER MOD Set 8.2: A 38 GLN : amide:sc= -0.0103 X(o=1.3,f=0.86) USER MOD Set 9.1: A 11 ASN : amide:sc= 0.934 K(o=2,f=-12!) USER MOD Set 9.2: A 105 LYS NZ :NH3+ 165:sc= 1.07 (180deg=-0.0552) USER MOD Set10.1: A 8 TYR OH : rot 54:sc= 0.926 USER MOD Set10.2: A 14 HIS :FLIP no HD1:sc= -1.02 F(o=-1.4,f=-0.089) USER MOD Single : A 1 TYR N :NH3+ -144:sc= 0.0184 (180deg=-0.0053) USER MOD Single : A 1 TYR OH : rot 180:sc= 0 USER MOD Single : A 2 LYS NZ :NH3+ 168:sc= -0.0049 (180deg=-0.114) USER MOD Single : A 3 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0666) USER MOD Single : A 9 CYS SG : rot 180:sc= -0.0717 USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 23 THR OG1 : rot 180:sc= -0.299 USER MOD Single : A 27 THR OG1 : rot -78:sc= -1.59 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 43 SER OG : rot 180:sc= 0.0393 USER MOD Single : A 52 THR OG1 : rot -170:sc= -0.344 USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 TYR OH : rot 180:sc= 0.257 USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot -50:sc= 1.26 USER MOD Single : A 70 GLN : amide:sc= -0.643 K(o=-0.64,f=-1.8!) USER MOD Single : A 71 THR OG1 : rot -16:sc= 0.95 USER MOD Single : A 73 ASN : amide:sc= -2.16! C(o=-2.2!,f=-5.9!) USER MOD Single : A 76 CYS SG : rot 48:sc= 0.34 USER MOD Single : A 85 ASN : amide:sc= -0.502 X(o=-0.5,f=-0.72) USER MOD Single : A 86 HIS :FLIP no HE2:sc= -1.13 F(o=-2.5,f=-1.1) USER MOD Single : A 87 TYR OH : rot -118:sc= 1.27 USER MOD Single : A 88 ASN :FLIP amide:sc= 0.63 F(o=-2.1,f=0.63) USER MOD Single : A 89 THR OG1 : rot 180:sc= 0 USER MOD Single : A 90 TYR OH : rot 10:sc= 1.24 USER MOD Single : A 92 SER OG : rot -122:sc= 1.05 USER MOD Single : A 93 LYS NZ :NH3+ 179:sc= 1.08 (180deg=1.01) USER MOD Single : A 94 LYS NZ :NH3+ -139:sc= 1.76 (180deg=-4.39!) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 ASN : amide:sc= -1.15 X(o=-1.1,f=-0.68) USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 107 ASN : amide:sc= -0.0902 X(o=-0.09,f=-0.44) USER MOD Single : A 109 SER OG : rot 180:sc= -0.293 USER MOD Single : A 110 CYS SG : rot 180:sc= -2.01 USER MOD Single : A 111 LYS NZ :NH3+ 165:sc= 0.839 (180deg=0.665) USER MOD Single : A 117 HIS : no HD1:sc= -0.689 X(o=-0.69,f=-0.3) USER MOD Single : A 118 TYR OH : rot 180:sc= 0 USER MOD Single : A 120 GLN :FLIP amide:sc= -0.445 F(o=-1.2,f=-0.44) USER MOD ----------------------------------------------------------------- ATOM 1 N TYR A 1 15.609 -1.407 -9.862 1.00 0.54 N ATOM 2 CA TYR A 1 14.411 -1.858 -9.112 1.00 0.51 C ATOM 3 C TYR A 1 14.331 -1.199 -7.730 1.00 0.43 C ATOM 4 O TYR A 1 13.248 -0.810 -7.294 1.00 0.59 O ATOM 5 CB TYR A 1 14.392 -3.392 -8.986 1.00 0.57 C ATOM 6 CG TYR A 1 15.386 -3.962 -7.993 1.00 0.55 C ATOM 7 CD1 TYR A 1 15.065 -4.069 -6.644 1.00 0.53 C ATOM 8 CD2 TYR A 1 16.635 -4.405 -8.406 1.00 0.77 C ATOM 9 CE1 TYR A 1 15.959 -4.598 -5.739 1.00 0.65 C ATOM 10 CE2 TYR A 1 17.539 -4.935 -7.505 1.00 0.93 C ATOM 11 CZ TYR A 1 17.194 -5.029 -6.172 1.00 0.85 C ATOM 12 OH TYR A 1 18.088 -5.555 -5.270 1.00 1.08 O ATOM 0 H1 TYR A 1 15.377 -1.328 -10.873 1.00 0.54 H new ATOM 0 H2 TYR A 1 15.914 -0.480 -9.504 1.00 0.54 H new ATOM 0 H3 TYR A 1 16.377 -2.096 -9.736 1.00 0.54 H new ATOM 0 HA TYR A 1 13.532 -1.547 -9.677 1.00 0.51 H new ATOM 0 HB2 TYR A 1 13.389 -3.706 -8.696 1.00 0.57 H new ATOM 0 HB3 TYR A 1 14.590 -3.825 -9.966 1.00 0.57 H new ATOM 0 HD1 TYR A 1 14.098 -3.732 -6.300 1.00 0.53 H new ATOM 0 HD2 TYR A 1 16.905 -4.334 -9.449 1.00 0.77 H new ATOM 0 HE1 TYR A 1 15.693 -4.674 -4.695 1.00 0.65 H new ATOM 0 HE2 TYR A 1 18.508 -5.273 -7.841 1.00 0.93 H new ATOM 0 HH TYR A 1 18.911 -5.812 -5.737 1.00 1.08 H new ATOM 24 N LYS A 2 15.467 -1.063 -7.042 1.00 0.35 N ATOM 25 CA LYS A 2 15.478 -0.450 -5.717 1.00 0.39 C ATOM 26 C LYS A 2 15.632 1.066 -5.828 1.00 0.34 C ATOM 27 O LYS A 2 16.603 1.557 -6.402 1.00 0.48 O ATOM 28 CB LYS A 2 16.594 -1.043 -4.840 1.00 0.54 C ATOM 29 CG LYS A 2 18.005 -0.823 -5.374 1.00 0.73 C ATOM 30 CD LYS A 2 18.631 -2.121 -5.858 1.00 1.05 C ATOM 31 CE LYS A 2 20.132 -1.982 -6.061 1.00 1.15 C ATOM 32 NZ LYS A 2 20.868 -1.886 -4.771 1.00 1.40 N ATOM 0 H LYS A 2 16.381 -1.366 -7.378 1.00 0.35 H new ATOM 0 HA LYS A 2 14.523 -0.668 -5.239 1.00 0.39 H new ATOM 0 HB2 LYS A 2 16.525 -0.608 -3.843 1.00 0.54 H new ATOM 0 HB3 LYS A 2 16.423 -2.114 -4.732 1.00 0.54 H new ATOM 0 HG2 LYS A 2 17.976 -0.105 -6.194 1.00 0.73 H new ATOM 0 HG3 LYS A 2 18.627 -0.389 -4.591 1.00 0.73 H new ATOM 0 HD2 LYS A 2 18.434 -2.912 -5.134 1.00 1.05 H new ATOM 0 HD3 LYS A 2 18.164 -2.423 -6.795 1.00 1.05 H new ATOM 0 HE2 LYS A 2 20.501 -2.838 -6.625 1.00 1.15 H new ATOM 0 HE3 LYS A 2 20.335 -1.094 -6.660 1.00 1.15 H new ATOM 0 HZ1 LYS A 2 21.887 -1.997 -4.944 1.00 1.40 H new ATOM 0 HZ2 LYS A 2 20.689 -0.958 -4.338 1.00 1.40 H new ATOM 0 HZ3 LYS A 2 20.542 -2.636 -4.129 1.00 1.40 H new ATOM 46 N LYS A 3 14.656 1.792 -5.296 1.00 0.28 N ATOM 47 CA LYS A 3 14.665 3.252 -5.320 1.00 0.26 C ATOM 48 C LYS A 3 13.554 3.803 -4.430 1.00 0.26 C ATOM 49 O LYS A 3 12.684 3.048 -3.983 1.00 0.29 O ATOM 50 CB LYS A 3 14.486 3.775 -6.752 1.00 0.30 C ATOM 51 CG LYS A 3 15.790 4.144 -7.443 1.00 0.49 C ATOM 52 CD LYS A 3 15.543 4.864 -8.756 1.00 0.55 C ATOM 53 CE LYS A 3 16.846 5.240 -9.448 1.00 0.78 C ATOM 54 NZ LYS A 3 17.607 4.043 -9.901 1.00 1.18 N ATOM 0 H LYS A 3 13.839 1.389 -4.837 1.00 0.28 H new ATOM 0 HA LYS A 3 15.630 3.590 -4.942 1.00 0.26 H new ATOM 0 HB2 LYS A 3 13.975 3.016 -7.344 1.00 0.30 H new ATOM 0 HB3 LYS A 3 13.838 4.651 -6.730 1.00 0.30 H new ATOM 0 HG2 LYS A 3 16.384 4.779 -6.785 1.00 0.49 H new ATOM 0 HG3 LYS A 3 16.373 3.242 -7.626 1.00 0.49 H new ATOM 0 HD2 LYS A 3 14.952 4.227 -9.414 1.00 0.55 H new ATOM 0 HD3 LYS A 3 14.956 5.764 -8.572 1.00 0.55 H new ATOM 0 HE2 LYS A 3 16.629 5.877 -10.306 1.00 0.78 H new ATOM 0 HE3 LYS A 3 17.463 5.824 -8.765 1.00 0.78 H new ATOM 0 HZ1 LYS A 3 18.405 4.344 -10.497 1.00 1.18 H new ATOM 0 HZ2 LYS A 3 17.968 3.527 -9.073 1.00 1.18 H new ATOM 0 HZ3 LYS A 3 16.980 3.421 -10.450 1.00 1.18 H new ATOM 68 N PRO A 4 13.573 5.120 -4.150 1.00 0.28 N ATOM 69 CA PRO A 4 12.553 5.766 -3.320 1.00 0.30 C ATOM 70 C PRO A 4 11.188 5.758 -4.003 1.00 0.27 C ATOM 71 O PRO A 4 10.932 6.551 -4.909 1.00 0.35 O ATOM 72 CB PRO A 4 13.065 7.207 -3.147 1.00 0.35 C ATOM 73 CG PRO A 4 14.490 7.179 -3.588 1.00 0.43 C ATOM 74 CD PRO A 4 14.586 6.082 -4.610 1.00 0.37 C ATOM 0 HA PRO A 4 12.411 5.250 -2.371 1.00 0.30 H new ATOM 0 HB2 PRO A 4 12.482 7.905 -3.747 1.00 0.35 H new ATOM 0 HB3 PRO A 4 12.981 7.531 -2.110 1.00 0.35 H new ATOM 0 HG2 PRO A 4 14.785 8.137 -4.015 1.00 0.43 H new ATOM 0 HG3 PRO A 4 15.155 6.987 -2.746 1.00 0.43 H new ATOM 0 HD2 PRO A 4 14.372 6.445 -5.615 1.00 0.37 H new ATOM 0 HD3 PRO A 4 15.582 5.640 -4.636 1.00 0.37 H new ATOM 82 N LYS A 5 10.324 4.843 -3.578 1.00 0.24 N ATOM 83 CA LYS A 5 8.985 4.723 -4.144 1.00 0.22 C ATOM 84 C LYS A 5 7.956 5.324 -3.188 1.00 0.25 C ATOM 85 O LYS A 5 8.259 5.575 -2.022 1.00 0.48 O ATOM 86 CB LYS A 5 8.661 3.243 -4.419 1.00 0.24 C ATOM 87 CG LYS A 5 7.384 3.013 -5.222 1.00 0.24 C ATOM 88 CD LYS A 5 7.190 1.539 -5.557 1.00 0.34 C ATOM 89 CE LYS A 5 5.927 1.305 -6.377 1.00 0.35 C ATOM 90 NZ LYS A 5 5.925 -0.023 -7.052 1.00 0.40 N ATOM 0 H LYS A 5 10.528 4.170 -2.839 1.00 0.24 H new ATOM 0 HA LYS A 5 8.947 5.270 -5.086 1.00 0.22 H new ATOM 0 HB2 LYS A 5 9.498 2.795 -4.955 1.00 0.24 H new ATOM 0 HB3 LYS A 5 8.575 2.720 -3.467 1.00 0.24 H new ATOM 0 HG2 LYS A 5 6.526 3.374 -4.654 1.00 0.24 H new ATOM 0 HG3 LYS A 5 7.423 3.594 -6.143 1.00 0.24 H new ATOM 0 HD2 LYS A 5 8.055 1.176 -6.111 1.00 0.34 H new ATOM 0 HD3 LYS A 5 7.136 0.961 -4.635 1.00 0.34 H new ATOM 0 HE2 LYS A 5 5.056 1.380 -5.726 1.00 0.35 H new ATOM 0 HE3 LYS A 5 5.833 2.091 -7.127 1.00 0.35 H new ATOM 0 HZ1 LYS A 5 4.944 -0.336 -7.199 1.00 0.40 H new ATOM 0 HZ2 LYS A 5 6.405 0.054 -7.971 1.00 0.40 H new ATOM 0 HZ3 LYS A 5 6.424 -0.715 -6.458 1.00 0.40 H new ATOM 104 N LEU A 6 6.754 5.582 -3.690 1.00 0.22 N ATOM 105 CA LEU A 6 5.681 6.127 -2.868 1.00 0.23 C ATOM 106 C LEU A 6 4.340 5.574 -3.342 1.00 0.22 C ATOM 107 O LEU A 6 4.222 5.135 -4.489 1.00 0.25 O ATOM 108 CB LEU A 6 5.681 7.666 -2.896 1.00 0.27 C ATOM 109 CG LEU A 6 4.885 8.318 -4.033 1.00 0.32 C ATOM 110 CD1 LEU A 6 4.750 9.815 -3.797 1.00 0.45 C ATOM 111 CD2 LEU A 6 5.546 8.053 -5.376 1.00 0.50 C ATOM 0 H LEU A 6 6.498 5.422 -4.664 1.00 0.22 H new ATOM 0 HA LEU A 6 5.846 5.822 -1.835 1.00 0.23 H new ATOM 0 HB2 LEU A 6 5.283 8.027 -1.947 1.00 0.27 H new ATOM 0 HB3 LEU A 6 6.714 8.008 -2.959 1.00 0.27 H new ATOM 0 HG LEU A 6 3.889 7.875 -4.048 1.00 0.32 H new ATOM 0 HD11 LEU A 6 4.183 10.262 -4.613 1.00 0.45 H new ATOM 0 HD12 LEU A 6 4.230 9.989 -2.855 1.00 0.45 H new ATOM 0 HD13 LEU A 6 5.741 10.267 -3.754 1.00 0.45 H new ATOM 0 HD21 LEU A 6 4.964 8.525 -6.167 1.00 0.50 H new ATOM 0 HD22 LEU A 6 6.555 8.465 -5.373 1.00 0.50 H new ATOM 0 HD23 LEU A 6 5.594 6.978 -5.552 1.00 0.50 H new ATOM 123 N LEU A 7 3.348 5.581 -2.458 1.00 0.24 N ATOM 124 CA LEU A 7 2.019 5.074 -2.782 1.00 0.26 C ATOM 125 C LEU A 7 0.990 6.198 -2.713 1.00 0.22 C ATOM 126 O LEU A 7 0.468 6.510 -1.641 1.00 0.24 O ATOM 127 CB LEU A 7 1.637 3.948 -1.820 1.00 0.32 C ATOM 128 CG LEU A 7 0.227 3.381 -2.005 1.00 0.36 C ATOM 129 CD1 LEU A 7 0.086 2.731 -3.372 1.00 0.44 C ATOM 130 CD2 LEU A 7 -0.099 2.386 -0.899 1.00 0.46 C ATOM 0 H LEU A 7 3.440 5.935 -1.506 1.00 0.24 H new ATOM 0 HA LEU A 7 2.034 4.679 -3.798 1.00 0.26 H new ATOM 0 HB2 LEU A 7 2.355 3.136 -1.933 1.00 0.32 H new ATOM 0 HB3 LEU A 7 1.732 4.317 -0.799 1.00 0.32 H new ATOM 0 HG LEU A 7 -0.485 4.204 -1.945 1.00 0.36 H new ATOM 0 HD11 LEU A 7 -0.923 2.334 -3.484 1.00 0.44 H new ATOM 0 HD12 LEU A 7 0.272 3.473 -4.149 1.00 0.44 H new ATOM 0 HD13 LEU A 7 0.807 1.919 -3.465 1.00 0.44 H new ATOM 0 HD21 LEU A 7 -1.105 1.994 -1.047 1.00 0.46 H new ATOM 0 HD22 LEU A 7 0.618 1.565 -0.925 1.00 0.46 H new ATOM 0 HD23 LEU A 7 -0.043 2.886 0.068 1.00 0.46 H new ATOM 142 N TYR A 8 0.699 6.804 -3.855 1.00 0.22 N ATOM 143 CA TYR A 8 -0.257 7.899 -3.912 1.00 0.21 C ATOM 144 C TYR A 8 -1.679 7.380 -4.103 1.00 0.21 C ATOM 145 O TYR A 8 -1.930 6.512 -4.941 1.00 0.29 O ATOM 146 CB TYR A 8 0.106 8.865 -5.043 1.00 0.24 C ATOM 147 CG TYR A 8 -0.322 10.288 -4.775 1.00 0.28 C ATOM 148 CD1 TYR A 8 -1.624 10.701 -5.022 1.00 0.37 C ATOM 149 CD2 TYR A 8 0.577 11.218 -4.270 1.00 0.46 C ATOM 150 CE1 TYR A 8 -2.018 12.002 -4.773 1.00 0.46 C ATOM 151 CE2 TYR A 8 0.192 12.518 -4.019 1.00 0.56 C ATOM 152 CZ TYR A 8 -1.106 12.906 -4.272 1.00 0.50 C ATOM 153 OH TYR A 8 -1.494 14.202 -4.022 1.00 0.63 O ATOM 0 H TYR A 8 1.111 6.556 -4.754 1.00 0.22 H new ATOM 0 HA TYR A 8 -0.214 8.431 -2.962 1.00 0.21 H new ATOM 0 HB2 TYR A 8 1.184 8.841 -5.200 1.00 0.24 H new ATOM 0 HB3 TYR A 8 -0.358 8.522 -5.968 1.00 0.24 H new ATOM 0 HD1 TYR A 8 -2.340 9.995 -5.415 1.00 0.37 H new ATOM 0 HD2 TYR A 8 1.595 10.918 -4.070 1.00 0.46 H new ATOM 0 HE1 TYR A 8 -3.035 12.309 -4.970 1.00 0.46 H new ATOM 0 HE2 TYR A 8 0.904 13.229 -3.626 1.00 0.56 H new ATOM 0 HH TYR A 8 -2.278 14.201 -3.434 1.00 0.63 H new ATOM 163 N CYS A 9 -2.603 7.914 -3.317 1.00 0.23 N ATOM 164 CA CYS A 9 -4.003 7.526 -3.398 1.00 0.27 C ATOM 165 C CYS A 9 -4.859 8.749 -3.712 1.00 0.28 C ATOM 166 O CYS A 9 -4.814 9.751 -2.992 1.00 0.30 O ATOM 167 CB CYS A 9 -4.452 6.882 -2.085 1.00 0.30 C ATOM 168 SG CYS A 9 -3.425 5.488 -1.559 1.00 0.37 S ATOM 0 H CYS A 9 -2.405 8.623 -2.611 1.00 0.23 H new ATOM 0 HA CYS A 9 -4.124 6.795 -4.197 1.00 0.27 H new ATOM 0 HB2 CYS A 9 -4.448 7.639 -1.301 1.00 0.30 H new ATOM 0 HB3 CYS A 9 -5.482 6.541 -2.193 1.00 0.30 H new ATOM 0 HG CYS A 9 -3.881 5.011 -0.439 1.00 0.37 H new ATOM 174 N SER A 10 -5.628 8.675 -4.788 1.00 0.37 N ATOM 175 CA SER A 10 -6.477 9.788 -5.189 1.00 0.42 C ATOM 176 C SER A 10 -7.731 9.859 -4.311 1.00 0.39 C ATOM 177 O SER A 10 -8.828 9.488 -4.738 1.00 0.51 O ATOM 178 CB SER A 10 -6.857 9.668 -6.672 1.00 0.56 C ATOM 179 OG SER A 10 -6.786 10.928 -7.322 1.00 1.23 O ATOM 0 H SER A 10 -5.682 7.859 -5.398 1.00 0.37 H new ATOM 0 HA SER A 10 -5.916 10.713 -5.053 1.00 0.42 H new ATOM 0 HB2 SER A 10 -6.189 8.963 -7.166 1.00 0.56 H new ATOM 0 HB3 SER A 10 -7.866 9.266 -6.760 1.00 0.56 H new ATOM 0 HG SER A 10 -7.031 10.824 -8.265 1.00 1.23 H new ATOM 185 N ASN A 11 -7.560 10.319 -3.074 1.00 0.33 N ATOM 186 CA ASN A 11 -8.681 10.444 -2.144 1.00 0.36 C ATOM 187 C ASN A 11 -8.706 11.821 -1.475 1.00 0.35 C ATOM 188 O ASN A 11 -9.355 12.006 -0.442 1.00 0.47 O ATOM 189 CB ASN A 11 -8.629 9.340 -1.079 1.00 0.44 C ATOM 190 CG ASN A 11 -9.997 9.050 -0.475 1.00 0.55 C ATOM 191 OD1 ASN A 11 -10.219 9.234 0.728 1.00 0.63 O ATOM 192 ND2 ASN A 11 -10.930 8.590 -1.302 1.00 0.75 N ATOM 0 H ASN A 11 -6.660 10.611 -2.693 1.00 0.33 H new ATOM 0 HA ASN A 11 -9.598 10.333 -2.722 1.00 0.36 H new ATOM 0 HB2 ASN A 11 -8.231 8.428 -1.524 1.00 0.44 H new ATOM 0 HB3 ASN A 11 -7.941 9.635 -0.287 1.00 0.44 H new ATOM 0 HD21 ASN A 11 -11.863 8.377 -0.950 1.00 0.75 H new ATOM 0 HD22 ASN A 11 -10.713 8.450 -2.289 1.00 0.75 H new ATOM 199 N GLY A 12 -8.004 12.788 -2.067 1.00 0.38 N ATOM 200 CA GLY A 12 -7.980 14.128 -1.514 1.00 0.45 C ATOM 201 C GLY A 12 -6.689 14.449 -0.781 1.00 0.46 C ATOM 202 O GLY A 12 -6.549 14.139 0.404 1.00 0.87 O ATOM 0 H GLY A 12 -7.454 12.664 -2.917 1.00 0.38 H new ATOM 0 HA2 GLY A 12 -8.122 14.849 -2.319 1.00 0.45 H new ATOM 0 HA3 GLY A 12 -8.819 14.246 -0.828 1.00 0.45 H new ATOM 206 N GLY A 13 -5.751 15.079 -1.482 1.00 0.38 N ATOM 207 CA GLY A 13 -4.485 15.442 -0.877 1.00 0.36 C ATOM 208 C GLY A 13 -3.353 14.525 -1.294 1.00 0.31 C ATOM 209 O GLY A 13 -3.363 13.978 -2.398 1.00 0.40 O ATOM 0 H GLY A 13 -5.847 15.345 -2.462 1.00 0.38 H new ATOM 0 HA2 GLY A 13 -4.237 16.467 -1.152 1.00 0.36 H new ATOM 0 HA3 GLY A 13 -4.585 15.418 0.208 1.00 0.36 H new ATOM 213 N HIS A 14 -2.379 14.361 -0.409 1.00 0.26 N ATOM 214 CA HIS A 14 -1.218 13.513 -0.668 1.00 0.24 C ATOM 215 C HIS A 14 -1.100 12.449 0.422 1.00 0.22 C ATOM 216 O HIS A 14 -1.625 12.629 1.521 1.00 0.30 O ATOM 217 CB HIS A 14 0.061 14.363 -0.711 1.00 0.28 C ATOM 218 CG HIS A 14 0.074 15.406 -1.788 1.00 0.38 C ATOM 219 ND1 HIS A 14 0.825 15.510 -2.910 1.00 0.60 N flip ATOM 220 CD2 HIS A 14 -0.750 16.512 -1.781 1.00 0.53 C flip ATOM 221 CE1 HIS A 14 0.441 16.658 -3.550 1.00 0.72 C flip ATOM 222 NE2 HIS A 14 -0.508 17.245 -2.850 1.00 0.66 N flip ATOM 0 H HIS A 14 -2.369 14.810 0.507 1.00 0.26 H new ATOM 0 HA HIS A 14 -1.347 13.024 -1.633 1.00 0.24 H new ATOM 0 HB2 HIS A 14 0.190 14.853 0.254 1.00 0.28 H new ATOM 0 HB3 HIS A 14 0.917 13.703 -0.851 1.00 0.28 H new ATOM 0 HD2 HIS A 14 -1.480 16.742 -1.019 1.00 0.53 H new ATOM 0 HE1 HIS A 14 0.851 17.024 -4.480 1.00 0.72 H new ATOM 0 HE2 HIS A 14 -0.976 18.118 -3.093 1.00 0.66 H new ATOM 231 N PHE A 15 -0.405 11.353 0.127 1.00 0.20 N ATOM 232 CA PHE A 15 -0.236 10.265 1.093 1.00 0.21 C ATOM 233 C PHE A 15 1.170 9.665 0.997 1.00 0.21 C ATOM 234 O PHE A 15 1.609 9.299 -0.094 1.00 0.23 O ATOM 235 CB PHE A 15 -1.272 9.162 0.836 1.00 0.27 C ATOM 236 CG PHE A 15 -2.704 9.631 0.858 1.00 0.29 C ATOM 237 CD1 PHE A 15 -3.248 10.308 -0.225 1.00 0.31 C ATOM 238 CD2 PHE A 15 -3.506 9.387 1.958 1.00 0.43 C ATOM 239 CE1 PHE A 15 -4.562 10.733 -0.206 1.00 0.37 C ATOM 240 CE2 PHE A 15 -4.821 9.809 1.981 1.00 0.50 C ATOM 241 CZ PHE A 15 -5.350 10.483 0.899 1.00 0.45 C ATOM 0 H PHE A 15 0.051 11.193 -0.771 1.00 0.20 H new ATOM 0 HA PHE A 15 -0.379 10.678 2.092 1.00 0.21 H new ATOM 0 HB2 PHE A 15 -1.067 8.707 -0.133 1.00 0.27 H new ATOM 0 HB3 PHE A 15 -1.147 8.382 1.587 1.00 0.27 H new ATOM 0 HD1 PHE A 15 -2.636 10.505 -1.093 1.00 0.31 H new ATOM 0 HD2 PHE A 15 -3.099 8.860 2.809 1.00 0.43 H new ATOM 0 HE1 PHE A 15 -4.972 11.260 -1.055 1.00 0.37 H new ATOM 0 HE2 PHE A 15 -5.436 9.611 2.847 1.00 0.50 H new ATOM 0 HZ PHE A 15 -6.378 10.814 0.917 1.00 0.45 H new ATOM 251 N LEU A 16 1.878 9.579 2.129 1.00 0.20 N ATOM 252 CA LEU A 16 3.229 9.000 2.146 1.00 0.22 C ATOM 253 C LEU A 16 3.834 8.990 3.559 1.00 0.23 C ATOM 254 O LEU A 16 5.022 9.268 3.739 1.00 0.33 O ATOM 255 CB LEU A 16 4.150 9.756 1.176 1.00 0.23 C ATOM 256 CG LEU A 16 4.090 11.284 1.262 1.00 0.24 C ATOM 257 CD1 LEU A 16 5.147 11.816 2.221 1.00 0.46 C ATOM 258 CD2 LEU A 16 4.258 11.897 -0.119 1.00 0.45 C ATOM 0 H LEU A 16 1.543 9.899 3.038 1.00 0.20 H new ATOM 0 HA LEU A 16 3.142 7.963 1.820 1.00 0.22 H new ATOM 0 HB2 LEU A 16 5.177 9.440 1.358 1.00 0.23 H new ATOM 0 HB3 LEU A 16 3.900 9.457 0.158 1.00 0.23 H new ATOM 0 HG LEU A 16 3.112 11.568 1.650 1.00 0.24 H new ATOM 0 HD11 LEU A 16 5.084 12.903 2.265 1.00 0.46 H new ATOM 0 HD12 LEU A 16 4.978 11.402 3.215 1.00 0.46 H new ATOM 0 HD13 LEU A 16 6.137 11.524 1.870 1.00 0.46 H new ATOM 0 HD21 LEU A 16 4.213 12.983 -0.043 1.00 0.45 H new ATOM 0 HD22 LEU A 16 5.222 11.602 -0.533 1.00 0.45 H new ATOM 0 HD23 LEU A 16 3.459 11.546 -0.772 1.00 0.45 H new ATOM 270 N ARG A 17 3.028 8.640 4.557 1.00 0.24 N ATOM 271 CA ARG A 17 3.499 8.590 5.938 1.00 0.26 C ATOM 272 C ARG A 17 3.164 7.251 6.574 1.00 0.22 C ATOM 273 O ARG A 17 2.127 6.656 6.281 1.00 0.29 O ATOM 274 CB ARG A 17 2.887 9.725 6.760 1.00 0.34 C ATOM 275 CG ARG A 17 3.226 9.667 8.245 1.00 0.47 C ATOM 276 CD ARG A 17 3.113 11.034 8.902 1.00 0.53 C ATOM 277 NE ARG A 17 1.783 11.623 8.735 1.00 0.54 N ATOM 278 CZ ARG A 17 1.528 12.932 8.798 1.00 0.72 C ATOM 279 NH1 ARG A 17 2.511 13.797 9.059 1.00 0.85 N ATOM 280 NH2 ARG A 17 0.287 13.374 8.607 1.00 0.86 N ATOM 0 H ARG A 17 2.047 8.387 4.436 1.00 0.24 H new ATOM 0 HA ARG A 17 4.582 8.710 5.926 1.00 0.26 H new ATOM 0 HB2 ARG A 17 3.230 10.678 6.356 1.00 0.34 H new ATOM 0 HB3 ARG A 17 1.803 9.701 6.644 1.00 0.34 H new ATOM 0 HG2 ARG A 17 2.556 8.967 8.744 1.00 0.47 H new ATOM 0 HG3 ARG A 17 4.239 9.285 8.372 1.00 0.47 H new ATOM 0 HD2 ARG A 17 3.337 10.943 9.965 1.00 0.53 H new ATOM 0 HD3 ARG A 17 3.860 11.703 8.475 1.00 0.53 H new ATOM 0 HE ARG A 17 1.001 10.993 8.559 1.00 0.54 H new ATOM 0 HH11 ARG A 17 3.461 13.459 9.211 1.00 0.85 H new ATOM 0 HH12 ARG A 17 2.312 14.796 9.106 1.00 0.85 H new ATOM 0 HH21 ARG A 17 -0.466 12.713 8.413 1.00 0.86 H new ATOM 0 HH22 ARG A 17 0.089 14.373 8.654 1.00 0.86 H new ATOM 294 N ILE A 18 4.050 6.780 7.442 1.00 0.21 N ATOM 295 CA ILE A 18 3.853 5.518 8.132 1.00 0.20 C ATOM 296 C ILE A 18 4.147 5.690 9.620 1.00 0.20 C ATOM 297 O ILE A 18 5.262 6.046 10.006 1.00 0.26 O ATOM 298 CB ILE A 18 4.739 4.393 7.541 1.00 0.26 C ATOM 299 CG1 ILE A 18 4.457 3.064 8.248 1.00 0.29 C ATOM 300 CG2 ILE A 18 6.217 4.752 7.639 1.00 0.33 C ATOM 301 CD1 ILE A 18 3.057 2.544 8.011 1.00 0.33 C ATOM 0 H ILE A 18 4.917 7.259 7.684 1.00 0.21 H new ATOM 0 HA ILE A 18 2.813 5.222 7.996 1.00 0.20 H new ATOM 0 HB ILE A 18 4.490 4.284 6.485 1.00 0.26 H new ATOM 0 HG12 ILE A 18 5.176 2.319 7.906 1.00 0.29 H new ATOM 0 HG13 ILE A 18 4.613 3.190 9.319 1.00 0.29 H new ATOM 0 HG21 ILE A 18 6.816 3.945 7.217 1.00 0.33 H new ATOM 0 HG22 ILE A 18 6.406 5.672 7.085 1.00 0.33 H new ATOM 0 HG23 ILE A 18 6.488 4.896 8.685 1.00 0.33 H new ATOM 0 HD11 ILE A 18 2.925 1.600 8.540 1.00 0.33 H new ATOM 0 HD12 ILE A 18 2.332 3.270 8.378 1.00 0.33 H new ATOM 0 HD13 ILE A 18 2.903 2.386 6.944 1.00 0.33 H new ATOM 313 N LEU A 19 3.140 5.465 10.445 1.00 0.21 N ATOM 314 CA LEU A 19 3.289 5.601 11.887 1.00 0.24 C ATOM 315 C LEU A 19 3.816 4.296 12.482 1.00 0.23 C ATOM 316 O LEU A 19 3.200 3.242 12.296 1.00 0.22 O ATOM 317 CB LEU A 19 1.949 5.973 12.539 1.00 0.30 C ATOM 318 CG LEU A 19 1.414 7.377 12.219 1.00 0.40 C ATOM 319 CD1 LEU A 19 2.470 8.438 12.501 1.00 0.54 C ATOM 320 CD2 LEU A 19 0.942 7.462 10.772 1.00 0.48 C ATOM 0 H LEU A 19 2.207 5.186 10.142 1.00 0.21 H new ATOM 0 HA LEU A 19 4.003 6.400 12.087 1.00 0.24 H new ATOM 0 HB2 LEU A 19 1.202 5.242 12.231 1.00 0.30 H new ATOM 0 HB3 LEU A 19 2.056 5.884 13.620 1.00 0.30 H new ATOM 0 HG LEU A 19 0.559 7.566 12.868 1.00 0.40 H new ATOM 0 HD11 LEU A 19 2.067 9.423 12.267 1.00 0.54 H new ATOM 0 HD12 LEU A 19 2.750 8.402 13.554 1.00 0.54 H new ATOM 0 HD13 LEU A 19 3.349 8.249 11.885 1.00 0.54 H new ATOM 0 HD21 LEU A 19 0.568 8.466 10.570 1.00 0.48 H new ATOM 0 HD22 LEU A 19 1.775 7.244 10.104 1.00 0.48 H new ATOM 0 HD23 LEU A 19 0.145 6.737 10.606 1.00 0.48 H new ATOM 332 N PRO A 20 4.957 4.348 13.204 1.00 0.29 N ATOM 333 CA PRO A 20 5.573 3.168 13.823 1.00 0.33 C ATOM 334 C PRO A 20 4.546 2.294 14.537 1.00 0.30 C ATOM 335 O PRO A 20 4.609 1.061 14.478 1.00 0.36 O ATOM 336 CB PRO A 20 6.579 3.757 14.827 1.00 0.41 C ATOM 337 CG PRO A 20 6.369 5.239 14.804 1.00 0.55 C ATOM 338 CD PRO A 20 5.738 5.557 13.479 1.00 0.38 C ATOM 0 HA PRO A 20 6.038 2.517 13.082 1.00 0.33 H new ATOM 0 HB2 PRO A 20 6.413 3.355 15.827 1.00 0.41 H new ATOM 0 HB3 PRO A 20 7.602 3.504 14.548 1.00 0.41 H new ATOM 0 HG2 PRO A 20 5.726 5.553 15.626 1.00 0.55 H new ATOM 0 HG3 PRO A 20 7.315 5.767 14.920 1.00 0.55 H new ATOM 0 HD2 PRO A 20 5.108 6.445 13.532 1.00 0.38 H new ATOM 0 HD3 PRO A 20 6.485 5.742 12.707 1.00 0.38 H new ATOM 346 N ASP A 21 3.589 2.941 15.196 1.00 0.27 N ATOM 347 CA ASP A 21 2.525 2.232 15.909 1.00 0.30 C ATOM 348 C ASP A 21 1.810 1.256 14.976 1.00 0.29 C ATOM 349 O ASP A 21 1.257 0.251 15.423 1.00 0.41 O ATOM 350 CB ASP A 21 1.499 3.219 16.483 1.00 0.36 C ATOM 351 CG ASP A 21 2.085 4.148 17.527 1.00 0.64 C ATOM 352 OD1 ASP A 21 2.591 5.223 17.149 1.00 0.95 O ATOM 353 OD2 ASP A 21 2.029 3.816 18.729 1.00 0.96 O ATOM 0 H ASP A 21 3.526 3.958 15.252 1.00 0.27 H new ATOM 0 HA ASP A 21 2.988 1.680 16.727 1.00 0.30 H new ATOM 0 HB2 ASP A 21 1.082 3.813 15.670 1.00 0.36 H new ATOM 0 HB3 ASP A 21 0.674 2.660 16.925 1.00 0.36 H new ATOM 358 N GLY A 22 1.835 1.555 13.681 1.00 0.24 N ATOM 359 CA GLY A 22 1.180 0.717 12.705 1.00 0.27 C ATOM 360 C GLY A 22 -0.008 1.425 12.097 1.00 0.27 C ATOM 361 O GLY A 22 -1.143 0.968 12.218 1.00 0.35 O ATOM 0 H GLY A 22 2.304 2.373 13.292 1.00 0.24 H new ATOM 0 HA2 GLY A 22 1.887 0.445 11.921 1.00 0.27 H new ATOM 0 HA3 GLY A 22 0.854 -0.210 13.176 1.00 0.27 H new ATOM 365 N THR A 23 0.250 2.561 11.453 1.00 0.24 N ATOM 366 CA THR A 23 -0.814 3.347 10.841 1.00 0.27 C ATOM 367 C THR A 23 -0.279 4.193 9.684 1.00 0.22 C ATOM 368 O THR A 23 0.918 4.496 9.626 1.00 0.25 O ATOM 369 CB THR A 23 -1.480 4.272 11.887 1.00 0.34 C ATOM 370 OG1 THR A 23 -1.548 3.609 13.160 1.00 0.47 O ATOM 371 CG2 THR A 23 -2.881 4.679 11.451 1.00 0.43 C ATOM 0 H THR A 23 1.184 2.955 11.343 1.00 0.24 H new ATOM 0 HA THR A 23 -1.555 2.649 10.453 1.00 0.27 H new ATOM 0 HB THR A 23 -0.870 5.171 11.974 1.00 0.34 H new ATOM 0 HG1 THR A 23 -1.970 4.203 13.816 1.00 0.47 H new ATOM 0 HG21 THR A 23 -3.323 5.329 12.207 1.00 0.43 H new ATOM 0 HG22 THR A 23 -2.826 5.212 10.502 1.00 0.43 H new ATOM 0 HG23 THR A 23 -3.498 3.788 11.332 1.00 0.43 H new ATOM 379 N VAL A 24 -1.169 4.567 8.774 1.00 0.25 N ATOM 380 CA VAL A 24 -0.809 5.384 7.621 1.00 0.24 C ATOM 381 C VAL A 24 -1.872 6.458 7.394 1.00 0.28 C ATOM 382 O VAL A 24 -3.068 6.199 7.571 1.00 0.37 O ATOM 383 CB VAL A 24 -0.647 4.522 6.344 1.00 0.29 C ATOM 384 CG1 VAL A 24 -1.906 3.707 6.072 1.00 0.37 C ATOM 385 CG2 VAL A 24 -0.296 5.391 5.141 1.00 0.32 C ATOM 0 H VAL A 24 -2.156 4.314 8.813 1.00 0.25 H new ATOM 0 HA VAL A 24 0.150 5.858 7.830 1.00 0.24 H new ATOM 0 HB VAL A 24 0.176 3.827 6.512 1.00 0.29 H new ATOM 0 HG11 VAL A 24 -1.766 3.111 5.170 1.00 0.37 H new ATOM 0 HG12 VAL A 24 -2.101 3.047 6.917 1.00 0.37 H new ATOM 0 HG13 VAL A 24 -2.752 4.380 5.934 1.00 0.37 H new ATOM 0 HG21 VAL A 24 -0.188 4.762 4.257 1.00 0.32 H new ATOM 0 HG22 VAL A 24 -1.090 6.119 4.974 1.00 0.32 H new ATOM 0 HG23 VAL A 24 0.641 5.914 5.331 1.00 0.32 H new ATOM 395 N ASP A 25 -1.438 7.656 7.025 1.00 0.28 N ATOM 396 CA ASP A 25 -2.357 8.766 6.788 1.00 0.35 C ATOM 397 C ASP A 25 -1.820 9.699 5.699 1.00 0.27 C ATOM 398 O ASP A 25 -0.795 9.410 5.073 1.00 0.26 O ATOM 399 CB ASP A 25 -2.600 9.548 8.090 1.00 0.50 C ATOM 400 CG ASP A 25 -1.515 10.571 8.383 1.00 0.53 C ATOM 401 OD1 ASP A 25 -0.333 10.183 8.492 1.00 1.28 O ATOM 402 OD2 ASP A 25 -1.846 11.773 8.512 1.00 1.19 O ATOM 0 H ASP A 25 -0.455 7.886 6.883 1.00 0.28 H new ATOM 0 HA ASP A 25 -3.306 8.353 6.445 1.00 0.35 H new ATOM 0 HB2 ASP A 25 -3.562 10.056 8.027 1.00 0.50 H new ATOM 0 HB3 ASP A 25 -2.663 8.846 8.922 1.00 0.50 H new ATOM 407 N GLY A 26 -2.522 10.812 5.480 1.00 0.27 N ATOM 408 CA GLY A 26 -2.119 11.772 4.465 1.00 0.26 C ATOM 409 C GLY A 26 -0.740 12.354 4.719 1.00 0.32 C ATOM 410 O GLY A 26 -0.307 12.477 5.867 1.00 0.72 O ATOM 0 H GLY A 26 -3.367 11.065 5.992 1.00 0.27 H new ATOM 0 HA2 GLY A 26 -2.129 11.287 3.489 1.00 0.26 H new ATOM 0 HA3 GLY A 26 -2.848 12.581 4.427 1.00 0.26 H new ATOM 414 N THR A 27 -0.045 12.705 3.642 1.00 0.25 N ATOM 415 CA THR A 27 1.297 13.276 3.729 1.00 0.23 C ATOM 416 C THR A 27 1.782 13.728 2.354 1.00 0.23 C ATOM 417 O THR A 27 1.412 13.140 1.338 1.00 0.26 O ATOM 418 CB THR A 27 2.318 12.269 4.303 1.00 0.30 C ATOM 419 OG1 THR A 27 1.689 10.999 4.542 1.00 0.60 O ATOM 420 CG2 THR A 27 2.930 12.804 5.593 1.00 0.65 C ATOM 0 H THR A 27 -0.393 12.603 2.688 1.00 0.25 H new ATOM 0 HA THR A 27 1.228 14.130 4.403 1.00 0.23 H new ATOM 0 HB THR A 27 3.114 12.133 3.571 1.00 0.30 H new ATOM 0 HG1 THR A 27 1.168 11.043 5.371 1.00 0.60 H new ATOM 0 HG21 THR A 27 3.647 12.081 5.983 1.00 0.65 H new ATOM 0 HG22 THR A 27 3.439 13.747 5.391 1.00 0.65 H new ATOM 0 HG23 THR A 27 2.143 12.967 6.329 1.00 0.65 H new ATOM 428 N ARG A 28 2.604 14.770 2.316 1.00 0.26 N ATOM 429 CA ARG A 28 3.119 15.278 1.051 1.00 0.29 C ATOM 430 C ARG A 28 4.645 15.338 1.060 1.00 0.29 C ATOM 431 O ARG A 28 5.256 15.722 2.061 1.00 0.39 O ATOM 432 CB ARG A 28 2.531 16.660 0.744 1.00 0.36 C ATOM 433 CG ARG A 28 3.161 17.796 1.534 1.00 0.44 C ATOM 434 CD ARG A 28 2.487 19.123 1.225 1.00 0.57 C ATOM 435 NE ARG A 28 1.106 19.148 1.706 1.00 0.66 N ATOM 436 CZ ARG A 28 0.758 19.393 2.974 1.00 0.85 C ATOM 437 NH1 ARG A 28 1.690 19.667 3.887 1.00 1.04 N ATOM 438 NH2 ARG A 28 -0.522 19.363 3.331 1.00 1.12 N ATOM 0 H ARG A 28 2.926 15.276 3.141 1.00 0.26 H new ATOM 0 HA ARG A 28 2.813 14.587 0.265 1.00 0.29 H new ATOM 0 HB2 ARG A 28 2.649 16.864 -0.320 1.00 0.36 H new ATOM 0 HB3 ARG A 28 1.461 16.640 0.949 1.00 0.36 H new ATOM 0 HG2 ARG A 28 3.084 17.586 2.601 1.00 0.44 H new ATOM 0 HG3 ARG A 28 4.223 17.861 1.298 1.00 0.44 H new ATOM 0 HD2 ARG A 28 3.049 19.934 1.688 1.00 0.57 H new ATOM 0 HD3 ARG A 28 2.502 19.298 0.149 1.00 0.57 H new ATOM 0 HE ARG A 28 0.362 18.967 1.032 1.00 0.66 H new ATOM 0 HH11 ARG A 28 2.674 19.691 3.620 1.00 1.04 H new ATOM 0 HH12 ARG A 28 1.419 19.853 4.853 1.00 1.04 H new ATOM 0 HH21 ARG A 28 -1.240 19.153 2.638 1.00 1.12 H new ATOM 0 HH22 ARG A 28 -0.786 19.550 4.298 1.00 1.12 H new ATOM 452 N ASP A 29 5.243 14.945 -0.061 1.00 0.27 N ATOM 453 CA ASP A 29 6.694 14.952 -0.223 1.00 0.29 C ATOM 454 C ASP A 29 7.046 14.696 -1.687 1.00 0.30 C ATOM 455 O ASP A 29 6.181 14.303 -2.475 1.00 0.37 O ATOM 456 CB ASP A 29 7.353 13.890 0.668 1.00 0.31 C ATOM 457 CG ASP A 29 8.757 14.273 1.103 1.00 0.39 C ATOM 458 OD1 ASP A 29 9.539 14.770 0.264 1.00 0.47 O ATOM 459 OD2 ASP A 29 9.083 14.086 2.291 1.00 0.53 O ATOM 0 H ASP A 29 4.736 14.613 -0.882 1.00 0.27 H new ATOM 0 HA ASP A 29 7.072 15.929 0.079 1.00 0.29 H new ATOM 0 HB2 ASP A 29 6.735 13.730 1.552 1.00 0.31 H new ATOM 0 HB3 ASP A 29 7.390 12.943 0.129 1.00 0.31 H new ATOM 464 N ARG A 30 8.303 14.904 -2.044 1.00 0.35 N ATOM 465 CA ARG A 30 8.746 14.701 -3.415 1.00 0.39 C ATOM 466 C ARG A 30 9.190 13.255 -3.621 1.00 0.37 C ATOM 467 O ARG A 30 10.373 12.932 -3.477 1.00 0.41 O ATOM 468 CB ARG A 30 9.886 15.663 -3.760 1.00 0.48 C ATOM 469 CG ARG A 30 10.398 15.508 -5.184 1.00 0.53 C ATOM 470 CD ARG A 30 9.289 15.712 -6.208 1.00 0.62 C ATOM 471 NE ARG A 30 9.735 15.419 -7.575 1.00 0.72 N ATOM 472 CZ ARG A 30 8.911 15.326 -8.628 1.00 0.86 C ATOM 473 NH1 ARG A 30 7.599 15.504 -8.469 1.00 1.07 N ATOM 474 NH2 ARG A 30 9.403 15.063 -9.839 1.00 1.02 N ATOM 0 H ARG A 30 9.035 15.213 -1.404 1.00 0.35 H new ATOM 0 HA ARG A 30 7.909 14.906 -4.082 1.00 0.39 H new ATOM 0 HB2 ARG A 30 9.543 16.687 -3.615 1.00 0.48 H new ATOM 0 HB3 ARG A 30 10.711 15.501 -3.066 1.00 0.48 H new ATOM 0 HG2 ARG A 30 11.196 16.228 -5.364 1.00 0.53 H new ATOM 0 HG3 ARG A 30 10.830 14.515 -5.309 1.00 0.53 H new ATOM 0 HD2 ARG A 30 8.444 15.071 -5.958 1.00 0.62 H new ATOM 0 HD3 ARG A 30 8.934 16.741 -6.156 1.00 0.62 H new ATOM 0 HE ARG A 30 10.733 15.278 -7.733 1.00 0.72 H new ATOM 0 HH11 ARG A 30 7.221 15.711 -7.545 1.00 1.07 H new ATOM 0 HH12 ARG A 30 6.974 15.433 -9.272 1.00 1.07 H new ATOM 0 HH21 ARG A 30 10.407 14.932 -9.964 1.00 1.02 H new ATOM 0 HH22 ARG A 30 8.776 14.992 -10.640 1.00 1.02 H new ATOM 488 N SER A 31 8.230 12.394 -3.944 1.00 0.44 N ATOM 489 CA SER A 31 8.508 10.979 -4.170 1.00 0.51 C ATOM 490 C SER A 31 9.276 10.395 -2.986 1.00 0.51 C ATOM 491 O SER A 31 10.439 10.005 -3.113 1.00 0.86 O ATOM 492 CB SER A 31 9.300 10.799 -5.468 1.00 0.65 C ATOM 493 OG SER A 31 8.678 11.492 -6.542 1.00 0.74 O ATOM 0 H SER A 31 7.250 12.652 -4.055 1.00 0.44 H new ATOM 0 HA SER A 31 7.563 10.444 -4.264 1.00 0.51 H new ATOM 0 HB2 SER A 31 10.317 11.168 -5.332 1.00 0.65 H new ATOM 0 HB3 SER A 31 9.375 9.739 -5.709 1.00 0.65 H new ATOM 0 HG SER A 31 9.202 11.365 -7.360 1.00 0.74 H new ATOM 499 N ASP A 32 8.623 10.353 -1.829 1.00 0.47 N ATOM 500 CA ASP A 32 9.251 9.836 -0.620 1.00 0.47 C ATOM 501 C ASP A 32 8.201 9.357 0.383 1.00 0.49 C ATOM 502 O ASP A 32 7.010 9.308 0.073 1.00 1.05 O ATOM 503 CB ASP A 32 10.126 10.924 0.019 1.00 0.57 C ATOM 504 CG ASP A 32 11.339 10.360 0.732 1.00 0.73 C ATOM 505 OD1 ASP A 32 11.175 9.471 1.593 1.00 1.11 O ATOM 506 OD2 ASP A 32 12.467 10.807 0.435 1.00 0.83 O ATOM 0 H ASP A 32 7.662 10.670 -1.704 1.00 0.47 H new ATOM 0 HA ASP A 32 9.873 8.984 -0.895 1.00 0.47 H new ATOM 0 HB2 ASP A 32 10.455 11.619 -0.753 1.00 0.57 H new ATOM 0 HB3 ASP A 32 9.527 11.496 0.728 1.00 0.57 H new ATOM 511 N GLN A 33 8.657 8.999 1.576 1.00 0.35 N ATOM 512 CA GLN A 33 7.789 8.533 2.646 1.00 0.34 C ATOM 513 C GLN A 33 8.351 9.042 3.982 1.00 0.35 C ATOM 514 O GLN A 33 8.908 10.142 4.029 1.00 0.54 O ATOM 515 CB GLN A 33 7.712 7.000 2.618 1.00 0.45 C ATOM 516 CG GLN A 33 6.453 6.425 3.262 1.00 0.53 C ATOM 517 CD GLN A 33 6.704 5.087 3.938 1.00 0.71 C ATOM 518 OE1 GLN A 33 7.795 4.836 4.454 1.00 0.98 O ATOM 519 NE2 GLN A 33 5.698 4.223 3.944 1.00 0.82 N ATOM 0 H GLN A 33 9.645 9.024 1.829 1.00 0.35 H new ATOM 0 HA GLN A 33 6.777 8.918 2.518 1.00 0.34 H new ATOM 0 HB2 GLN A 33 7.763 6.664 1.582 1.00 0.45 H new ATOM 0 HB3 GLN A 33 8.585 6.594 3.128 1.00 0.45 H new ATOM 0 HG2 GLN A 33 6.069 7.133 3.996 1.00 0.53 H new ATOM 0 HG3 GLN A 33 5.682 6.305 2.501 1.00 0.53 H new ATOM 0 HE21 GLN A 33 4.811 4.470 3.506 1.00 0.82 H new ATOM 0 HE22 GLN A 33 5.811 3.311 4.387 1.00 0.82 H new ATOM 528 N HIS A 34 8.223 8.264 5.064 1.00 0.34 N ATOM 529 CA HIS A 34 8.767 8.681 6.357 1.00 0.39 C ATOM 530 C HIS A 34 10.272 8.904 6.224 1.00 0.37 C ATOM 531 O HIS A 34 10.837 9.806 6.842 1.00 0.50 O ATOM 532 CB HIS A 34 8.487 7.631 7.443 1.00 0.48 C ATOM 533 CG HIS A 34 9.013 8.011 8.799 1.00 0.63 C ATOM 534 ND1 HIS A 34 9.248 7.095 9.802 1.00 0.86 N ATOM 535 CD2 HIS A 34 9.350 9.219 9.315 1.00 0.83 C ATOM 536 CE1 HIS A 34 9.704 7.720 10.869 1.00 0.99 C ATOM 537 NE2 HIS A 34 9.777 9.010 10.601 1.00 0.95 N ATOM 0 H HIS A 34 7.755 7.358 5.069 1.00 0.34 H new ATOM 0 HA HIS A 34 8.280 9.610 6.655 1.00 0.39 H new ATOM 0 HB2 HIS A 34 7.411 7.470 7.512 1.00 0.48 H new ATOM 0 HB3 HIS A 34 8.932 6.683 7.143 1.00 0.48 H new ATOM 0 HD1 HIS A 34 9.093 6.089 9.730 1.00 0.86 H new ATOM 0 HD2 HIS A 34 9.293 10.170 8.807 1.00 0.83 H new ATOM 0 HE1 HIS A 34 9.973 7.254 11.806 1.00 0.99 H new ATOM 546 N ILE A 35 10.907 8.063 5.412 1.00 0.31 N ATOM 547 CA ILE A 35 12.343 8.150 5.169 1.00 0.34 C ATOM 548 C ILE A 35 12.690 7.632 3.769 1.00 0.33 C ATOM 549 O ILE A 35 13.515 8.218 3.073 1.00 0.40 O ATOM 550 CB ILE A 35 13.163 7.361 6.217 1.00 0.39 C ATOM 551 CG1 ILE A 35 12.709 7.712 7.642 1.00 0.42 C ATOM 552 CG2 ILE A 35 14.647 7.654 6.048 1.00 0.52 C ATOM 553 CD1 ILE A 35 13.579 7.114 8.731 1.00 0.51 C ATOM 0 H ILE A 35 10.444 7.307 4.907 1.00 0.31 H new ATOM 0 HA ILE A 35 12.608 9.204 5.250 1.00 0.34 H new ATOM 0 HB ILE A 35 12.992 6.296 6.058 1.00 0.39 H new ATOM 0 HG12 ILE A 35 12.700 8.796 7.753 1.00 0.42 H new ATOM 0 HG13 ILE A 35 11.684 7.369 7.781 1.00 0.42 H new ATOM 0 HG21 ILE A 35 15.215 7.094 6.790 1.00 0.52 H new ATOM 0 HG22 ILE A 35 14.965 7.358 5.048 1.00 0.52 H new ATOM 0 HG23 ILE A 35 14.825 8.721 6.184 1.00 0.52 H new ATOM 0 HD11 ILE A 35 13.193 7.408 9.707 1.00 0.51 H new ATOM 0 HD12 ILE A 35 13.569 6.027 8.649 1.00 0.51 H new ATOM 0 HD13 ILE A 35 14.601 7.477 8.621 1.00 0.51 H new ATOM 565 N GLN A 36 12.064 6.523 3.370 1.00 0.29 N ATOM 566 CA GLN A 36 12.302 5.931 2.055 1.00 0.30 C ATOM 567 C GLN A 36 11.451 4.675 1.871 1.00 0.30 C ATOM 568 O GLN A 36 11.698 3.656 2.513 1.00 0.64 O ATOM 569 CB GLN A 36 13.786 5.577 1.899 1.00 0.37 C ATOM 570 CG GLN A 36 14.119 4.851 0.607 1.00 0.40 C ATOM 571 CD GLN A 36 15.530 4.302 0.613 1.00 0.47 C ATOM 572 OE1 GLN A 36 16.473 4.973 0.191 1.00 0.76 O ATOM 573 NE2 GLN A 36 15.687 3.079 1.097 1.00 0.61 N ATOM 0 H GLN A 36 11.387 6.017 3.941 1.00 0.29 H new ATOM 0 HA GLN A 36 12.023 6.659 1.293 1.00 0.30 H new ATOM 0 HB2 GLN A 36 14.374 6.493 1.950 1.00 0.37 H new ATOM 0 HB3 GLN A 36 14.090 4.955 2.741 1.00 0.37 H new ATOM 0 HG2 GLN A 36 13.413 4.034 0.458 1.00 0.40 H new ATOM 0 HG3 GLN A 36 13.999 5.534 -0.234 1.00 0.40 H new ATOM 0 HE21 GLN A 36 14.879 2.557 1.437 1.00 0.61 H new ATOM 0 HE22 GLN A 36 16.616 2.659 1.130 1.00 0.61 H new ATOM 582 N LEU A 37 10.443 4.749 1.011 1.00 0.27 N ATOM 583 CA LEU A 37 9.579 3.600 0.759 1.00 0.25 C ATOM 584 C LEU A 37 10.113 2.796 -0.422 1.00 0.22 C ATOM 585 O LEU A 37 10.441 3.360 -1.467 1.00 0.26 O ATOM 586 CB LEU A 37 8.141 4.053 0.483 1.00 0.33 C ATOM 587 CG LEU A 37 7.045 3.094 0.960 1.00 0.42 C ATOM 588 CD1 LEU A 37 5.675 3.726 0.780 1.00 0.57 C ATOM 589 CD2 LEU A 37 7.116 1.768 0.213 1.00 0.53 C ATOM 0 H LEU A 37 10.204 5.586 0.479 1.00 0.27 H new ATOM 0 HA LEU A 37 9.575 2.968 1.647 1.00 0.25 H new ATOM 0 HB2 LEU A 37 7.986 5.021 0.960 1.00 0.33 H new ATOM 0 HB3 LEU A 37 8.026 4.204 -0.590 1.00 0.33 H new ATOM 0 HG LEU A 37 7.206 2.897 2.020 1.00 0.42 H new ATOM 0 HD11 LEU A 37 4.907 3.033 1.123 1.00 0.57 H new ATOM 0 HD12 LEU A 37 5.620 4.646 1.362 1.00 0.57 H new ATOM 0 HD13 LEU A 37 5.515 3.953 -0.274 1.00 0.57 H new ATOM 0 HD21 LEU A 37 6.327 1.106 0.571 1.00 0.53 H new ATOM 0 HD22 LEU A 37 6.985 1.944 -0.855 1.00 0.53 H new ATOM 0 HD23 LEU A 37 8.086 1.304 0.388 1.00 0.53 H new ATOM 601 N GLN A 38 10.221 1.487 -0.247 1.00 0.23 N ATOM 602 CA GLN A 38 10.715 0.610 -1.296 1.00 0.27 C ATOM 603 C GLN A 38 9.716 -0.507 -1.586 1.00 0.24 C ATOM 604 O GLN A 38 8.981 -0.948 -0.697 1.00 0.32 O ATOM 605 CB GLN A 38 12.066 0.012 -0.898 1.00 0.38 C ATOM 606 CG GLN A 38 13.202 1.027 -0.878 1.00 0.51 C ATOM 607 CD GLN A 38 14.547 0.398 -0.562 1.00 0.62 C ATOM 608 OE1 GLN A 38 14.631 -0.583 0.176 1.00 1.05 O ATOM 609 NE2 GLN A 38 15.613 0.957 -1.122 1.00 0.75 N ATOM 0 H GLN A 38 9.971 1.007 0.618 1.00 0.23 H new ATOM 0 HA GLN A 38 10.842 1.204 -2.201 1.00 0.27 H new ATOM 0 HB2 GLN A 38 11.977 -0.440 0.090 1.00 0.38 H new ATOM 0 HB3 GLN A 38 12.318 -0.789 -1.593 1.00 0.38 H new ATOM 0 HG2 GLN A 38 13.257 1.523 -1.847 1.00 0.51 H new ATOM 0 HG3 GLN A 38 12.983 1.796 -0.138 1.00 0.51 H new ATOM 0 HE21 GLN A 38 15.503 1.770 -1.728 1.00 0.75 H new ATOM 0 HE22 GLN A 38 16.542 0.574 -0.946 1.00 0.75 H new ATOM 618 N LEU A 39 9.691 -0.948 -2.836 1.00 0.24 N ATOM 619 CA LEU A 39 8.804 -2.019 -3.268 1.00 0.24 C ATOM 620 C LEU A 39 9.441 -2.750 -4.444 1.00 0.26 C ATOM 621 O LEU A 39 9.430 -2.248 -5.570 1.00 0.34 O ATOM 622 CB LEU A 39 7.437 -1.450 -3.667 1.00 0.26 C ATOM 623 CG LEU A 39 6.331 -2.487 -3.892 1.00 0.34 C ATOM 624 CD1 LEU A 39 4.971 -1.806 -3.957 1.00 0.38 C ATOM 625 CD2 LEU A 39 6.591 -3.279 -5.167 1.00 0.41 C ATOM 0 H LEU A 39 10.283 -0.575 -3.578 1.00 0.24 H new ATOM 0 HA LEU A 39 8.652 -2.719 -2.447 1.00 0.24 H new ATOM 0 HB2 LEU A 39 7.110 -0.758 -2.890 1.00 0.26 H new ATOM 0 HB3 LEU A 39 7.558 -0.869 -4.581 1.00 0.26 H new ATOM 0 HG LEU A 39 6.332 -3.180 -3.051 1.00 0.34 H new ATOM 0 HD11 LEU A 39 4.196 -2.556 -4.117 1.00 0.38 H new ATOM 0 HD12 LEU A 39 4.781 -1.282 -3.020 1.00 0.38 H new ATOM 0 HD13 LEU A 39 4.961 -1.092 -4.780 1.00 0.38 H new ATOM 0 HD21 LEU A 39 5.795 -4.010 -5.310 1.00 0.41 H new ATOM 0 HD22 LEU A 39 6.616 -2.599 -6.019 1.00 0.41 H new ATOM 0 HD23 LEU A 39 7.548 -3.795 -5.086 1.00 0.41 H new ATOM 637 N SER A 40 10.014 -3.921 -4.179 1.00 0.25 N ATOM 638 CA SER A 40 10.682 -4.704 -5.218 1.00 0.28 C ATOM 639 C SER A 40 11.329 -5.961 -4.628 1.00 0.29 C ATOM 640 O SER A 40 11.045 -6.326 -3.487 1.00 0.38 O ATOM 641 CB SER A 40 11.744 -3.839 -5.908 1.00 0.36 C ATOM 642 OG SER A 40 11.199 -3.141 -7.017 1.00 0.55 O ATOM 0 H SER A 40 10.030 -4.350 -3.254 1.00 0.25 H new ATOM 0 HA SER A 40 9.937 -5.020 -5.949 1.00 0.28 H new ATOM 0 HB2 SER A 40 12.156 -3.126 -5.194 1.00 0.36 H new ATOM 0 HB3 SER A 40 12.569 -4.469 -6.241 1.00 0.36 H new ATOM 0 HG SER A 40 10.303 -2.816 -6.790 1.00 0.55 H new ATOM 648 N ALA A 41 12.183 -6.623 -5.419 1.00 0.33 N ATOM 649 CA ALA A 41 12.890 -7.827 -4.982 1.00 0.37 C ATOM 650 C ALA A 41 11.978 -9.056 -5.008 1.00 0.36 C ATOM 651 O ALA A 41 12.143 -9.983 -4.213 1.00 0.76 O ATOM 652 CB ALA A 41 13.496 -7.620 -3.595 1.00 0.46 C ATOM 0 H ALA A 41 12.400 -6.339 -6.374 1.00 0.33 H new ATOM 0 HA ALA A 41 13.701 -8.012 -5.686 1.00 0.37 H new ATOM 0 HB1 ALA A 41 14.018 -8.526 -3.287 1.00 0.46 H new ATOM 0 HB2 ALA A 41 14.200 -6.789 -3.626 1.00 0.46 H new ATOM 0 HB3 ALA A 41 12.703 -7.397 -2.881 1.00 0.46 H new ATOM 658 N GLU A 42 11.026 -9.065 -5.937 1.00 0.35 N ATOM 659 CA GLU A 42 10.100 -10.181 -6.077 1.00 0.30 C ATOM 660 C GLU A 42 9.835 -10.466 -7.556 1.00 0.33 C ATOM 661 O GLU A 42 10.319 -9.743 -8.431 1.00 0.51 O ATOM 662 CB GLU A 42 8.785 -9.885 -5.347 1.00 0.32 C ATOM 663 CG GLU A 42 8.911 -9.831 -3.829 1.00 0.54 C ATOM 664 CD GLU A 42 9.417 -11.127 -3.217 1.00 0.76 C ATOM 665 OE1 GLU A 42 9.029 -12.218 -3.693 1.00 1.01 O ATOM 666 OE2 GLU A 42 10.203 -11.058 -2.250 1.00 1.05 O ATOM 0 H GLU A 42 10.877 -8.309 -6.605 1.00 0.35 H new ATOM 0 HA GLU A 42 10.552 -11.064 -5.626 1.00 0.30 H new ATOM 0 HB2 GLU A 42 8.392 -8.932 -5.702 1.00 0.32 H new ATOM 0 HB3 GLU A 42 8.055 -10.650 -5.613 1.00 0.32 H new ATOM 0 HG2 GLU A 42 9.588 -9.021 -3.557 1.00 0.54 H new ATOM 0 HG3 GLU A 42 7.938 -9.591 -3.400 1.00 0.54 H new ATOM 673 N SER A 43 9.077 -11.523 -7.826 1.00 0.31 N ATOM 674 CA SER A 43 8.746 -11.910 -9.192 1.00 0.38 C ATOM 675 C SER A 43 7.634 -11.020 -9.747 1.00 0.34 C ATOM 676 O SER A 43 7.106 -10.165 -9.040 1.00 0.61 O ATOM 677 CB SER A 43 8.311 -13.379 -9.217 1.00 0.52 C ATOM 678 OG SER A 43 7.454 -13.671 -8.122 1.00 1.04 O ATOM 0 H SER A 43 8.678 -12.131 -7.111 1.00 0.31 H new ATOM 0 HA SER A 43 9.629 -11.785 -9.819 1.00 0.38 H new ATOM 0 HB2 SER A 43 7.797 -13.595 -10.154 1.00 0.52 H new ATOM 0 HB3 SER A 43 9.189 -14.024 -9.179 1.00 0.52 H new ATOM 0 HG SER A 43 7.187 -14.613 -8.158 1.00 1.04 H new ATOM 684 N VAL A 44 7.278 -11.222 -11.012 1.00 0.39 N ATOM 685 CA VAL A 44 6.216 -10.438 -11.632 1.00 0.39 C ATOM 686 C VAL A 44 4.920 -10.575 -10.829 1.00 0.36 C ATOM 687 O VAL A 44 4.542 -11.679 -10.425 1.00 0.59 O ATOM 688 CB VAL A 44 5.972 -10.862 -13.101 1.00 0.52 C ATOM 689 CG1 VAL A 44 5.465 -12.297 -13.178 1.00 0.60 C ATOM 690 CG2 VAL A 44 4.997 -9.910 -13.778 1.00 0.58 C ATOM 0 H VAL A 44 7.706 -11.917 -11.624 1.00 0.39 H new ATOM 0 HA VAL A 44 6.535 -9.396 -11.633 1.00 0.39 H new ATOM 0 HB VAL A 44 6.924 -10.813 -13.630 1.00 0.52 H new ATOM 0 HG11 VAL A 44 5.302 -12.570 -14.221 1.00 0.60 H new ATOM 0 HG12 VAL A 44 6.203 -12.968 -12.739 1.00 0.60 H new ATOM 0 HG13 VAL A 44 4.527 -12.381 -12.630 1.00 0.60 H new ATOM 0 HG21 VAL A 44 4.838 -10.225 -14.810 1.00 0.58 H new ATOM 0 HG22 VAL A 44 4.047 -9.922 -13.245 1.00 0.58 H new ATOM 0 HG23 VAL A 44 5.407 -8.900 -13.766 1.00 0.58 H new ATOM 700 N GLY A 45 4.260 -9.452 -10.576 1.00 0.32 N ATOM 701 CA GLY A 45 3.019 -9.472 -9.823 1.00 0.33 C ATOM 702 C GLY A 45 3.260 -9.419 -8.325 1.00 0.28 C ATOM 703 O GLY A 45 2.900 -8.440 -7.669 1.00 0.33 O ATOM 0 H GLY A 45 4.562 -8.526 -10.879 1.00 0.32 H new ATOM 0 HA2 GLY A 45 2.401 -8.625 -10.121 1.00 0.33 H new ATOM 0 HA3 GLY A 45 2.461 -10.376 -10.068 1.00 0.33 H new ATOM 707 N GLU A 46 3.871 -10.468 -7.780 1.00 0.27 N ATOM 708 CA GLU A 46 4.155 -10.526 -6.347 1.00 0.28 C ATOM 709 C GLU A 46 5.248 -9.528 -5.998 1.00 0.24 C ATOM 710 O GLU A 46 6.319 -9.549 -6.599 1.00 0.31 O ATOM 711 CB GLU A 46 4.581 -11.935 -5.931 1.00 0.39 C ATOM 712 CG GLU A 46 3.585 -13.015 -6.327 1.00 0.51 C ATOM 713 CD GLU A 46 3.794 -14.316 -5.579 1.00 0.64 C ATOM 714 OE1 GLU A 46 4.954 -14.664 -5.279 1.00 0.86 O ATOM 715 OE2 GLU A 46 2.796 -15.009 -5.299 1.00 0.82 O ATOM 0 H GLU A 46 4.178 -11.286 -8.306 1.00 0.27 H new ATOM 0 HA GLU A 46 3.245 -10.271 -5.804 1.00 0.28 H new ATOM 0 HB2 GLU A 46 5.547 -12.161 -6.382 1.00 0.39 H new ATOM 0 HB3 GLU A 46 4.720 -11.959 -4.850 1.00 0.39 H new ATOM 0 HG2 GLU A 46 2.573 -12.654 -6.142 1.00 0.51 H new ATOM 0 HG3 GLU A 46 3.666 -13.201 -7.398 1.00 0.51 H new ATOM 722 N VAL A 47 4.988 -8.665 -5.029 1.00 0.22 N ATOM 723 CA VAL A 47 5.960 -7.655 -4.645 1.00 0.25 C ATOM 724 C VAL A 47 6.135 -7.554 -3.133 1.00 0.23 C ATOM 725 O VAL A 47 5.213 -7.835 -2.359 1.00 0.29 O ATOM 726 CB VAL A 47 5.573 -6.268 -5.194 1.00 0.32 C ATOM 727 CG1 VAL A 47 5.562 -6.278 -6.716 1.00 0.35 C ATOM 728 CG2 VAL A 47 4.221 -5.825 -4.647 1.00 0.35 C ATOM 0 H VAL A 47 4.118 -8.643 -4.497 1.00 0.22 H new ATOM 0 HA VAL A 47 6.907 -7.974 -5.081 1.00 0.25 H new ATOM 0 HB VAL A 47 6.323 -5.550 -4.862 1.00 0.32 H new ATOM 0 HG11 VAL A 47 5.286 -5.290 -7.084 1.00 0.35 H new ATOM 0 HG12 VAL A 47 6.554 -6.539 -7.085 1.00 0.35 H new ATOM 0 HG13 VAL A 47 4.838 -7.012 -7.070 1.00 0.35 H new ATOM 0 HG21 VAL A 47 3.970 -4.843 -5.049 1.00 0.35 H new ATOM 0 HG22 VAL A 47 3.456 -6.544 -4.941 1.00 0.35 H new ATOM 0 HG23 VAL A 47 4.269 -5.770 -3.559 1.00 0.35 H new ATOM 738 N TYR A 48 7.339 -7.158 -2.733 1.00 0.22 N ATOM 739 CA TYR A 48 7.685 -6.978 -1.331 1.00 0.22 C ATOM 740 C TYR A 48 7.807 -5.485 -1.040 1.00 0.22 C ATOM 741 O TYR A 48 8.625 -4.791 -1.655 1.00 0.29 O ATOM 742 CB TYR A 48 8.999 -7.704 -1.019 1.00 0.25 C ATOM 743 CG TYR A 48 9.525 -7.486 0.387 1.00 0.35 C ATOM 744 CD1 TYR A 48 9.055 -8.241 1.453 1.00 0.49 C ATOM 745 CD2 TYR A 48 10.498 -6.526 0.642 1.00 0.58 C ATOM 746 CE1 TYR A 48 9.539 -8.047 2.734 1.00 0.66 C ATOM 747 CE2 TYR A 48 10.986 -6.326 1.919 1.00 0.74 C ATOM 748 CZ TYR A 48 10.505 -7.089 2.962 1.00 0.72 C ATOM 749 OH TYR A 48 10.997 -6.891 4.239 1.00 0.92 O ATOM 0 H TYR A 48 8.104 -6.953 -3.376 1.00 0.22 H new ATOM 0 HA TYR A 48 6.906 -7.402 -0.697 1.00 0.22 H new ATOM 0 HB2 TYR A 48 8.854 -8.773 -1.176 1.00 0.25 H new ATOM 0 HB3 TYR A 48 9.757 -7.377 -1.731 1.00 0.25 H new ATOM 0 HD1 TYR A 48 8.299 -8.992 1.279 1.00 0.49 H new ATOM 0 HD2 TYR A 48 10.879 -5.927 -0.172 1.00 0.58 H new ATOM 0 HE1 TYR A 48 9.162 -8.643 3.552 1.00 0.66 H new ATOM 0 HE2 TYR A 48 11.741 -5.575 2.100 1.00 0.74 H new ATOM 0 HH TYR A 48 10.960 -7.733 4.738 1.00 0.92 H new ATOM 759 N ILE A 49 6.984 -4.994 -0.122 1.00 0.21 N ATOM 760 CA ILE A 49 6.985 -3.578 0.234 1.00 0.22 C ATOM 761 C ILE A 49 7.836 -3.317 1.474 1.00 0.23 C ATOM 762 O ILE A 49 7.798 -4.081 2.439 1.00 0.37 O ATOM 763 CB ILE A 49 5.553 -3.054 0.489 1.00 0.26 C ATOM 764 CG1 ILE A 49 4.618 -3.461 -0.655 1.00 0.31 C ATOM 765 CG2 ILE A 49 5.562 -1.541 0.656 1.00 0.30 C ATOM 766 CD1 ILE A 49 3.157 -3.170 -0.376 1.00 0.38 C ATOM 0 H ILE A 49 6.305 -5.556 0.392 1.00 0.21 H new ATOM 0 HA ILE A 49 7.413 -3.045 -0.615 1.00 0.22 H new ATOM 0 HB ILE A 49 5.183 -3.502 1.411 1.00 0.26 H new ATOM 0 HG12 ILE A 49 4.918 -2.936 -1.562 1.00 0.31 H new ATOM 0 HG13 ILE A 49 4.737 -4.527 -0.849 1.00 0.31 H new ATOM 0 HG21 ILE A 49 4.546 -1.189 0.835 1.00 0.30 H new ATOM 0 HG22 ILE A 49 6.194 -1.272 1.503 1.00 0.30 H new ATOM 0 HG23 ILE A 49 5.953 -1.077 -0.250 1.00 0.30 H new ATOM 0 HD11 ILE A 49 2.554 -3.484 -1.228 1.00 0.38 H new ATOM 0 HD12 ILE A 49 2.841 -3.716 0.513 1.00 0.38 H new ATOM 0 HD13 ILE A 49 3.024 -2.101 -0.212 1.00 0.38 H new ATOM 778 N LYS A 50 8.602 -2.235 1.443 1.00 0.21 N ATOM 779 CA LYS A 50 9.460 -1.872 2.559 1.00 0.25 C ATOM 780 C LYS A 50 9.409 -0.370 2.822 1.00 0.21 C ATOM 781 O LYS A 50 9.764 0.434 1.962 1.00 0.26 O ATOM 782 CB LYS A 50 10.901 -2.313 2.280 1.00 0.34 C ATOM 783 CG LYS A 50 11.876 -1.989 3.404 1.00 0.49 C ATOM 784 CD LYS A 50 11.380 -2.494 4.755 1.00 0.73 C ATOM 785 CE LYS A 50 11.091 -3.988 4.733 1.00 1.35 C ATOM 786 NZ LYS A 50 12.330 -4.806 4.686 1.00 1.74 N ATOM 0 H LYS A 50 8.646 -1.592 0.653 1.00 0.21 H new ATOM 0 HA LYS A 50 9.097 -2.384 3.450 1.00 0.25 H new ATOM 0 HB2 LYS A 50 10.913 -3.388 2.101 1.00 0.34 H new ATOM 0 HB3 LYS A 50 11.246 -1.834 1.364 1.00 0.34 H new ATOM 0 HG2 LYS A 50 12.845 -2.437 3.183 1.00 0.49 H new ATOM 0 HG3 LYS A 50 12.027 -0.911 3.453 1.00 0.49 H new ATOM 0 HD2 LYS A 50 12.128 -2.280 5.519 1.00 0.73 H new ATOM 0 HD3 LYS A 50 10.476 -1.954 5.034 1.00 0.73 H new ATOM 0 HE2 LYS A 50 10.515 -4.257 5.619 1.00 1.35 H new ATOM 0 HE3 LYS A 50 10.472 -4.222 3.867 1.00 1.35 H new ATOM 0 HZ1 LYS A 50 12.079 -5.812 4.604 1.00 1.74 H new ATOM 0 HZ2 LYS A 50 12.901 -4.524 3.864 1.00 1.74 H new ATOM 0 HZ3 LYS A 50 12.878 -4.656 5.557 1.00 1.74 H new ATOM 800 N SER A 51 8.951 0.002 4.010 1.00 0.24 N ATOM 801 CA SER A 51 8.868 1.403 4.391 1.00 0.25 C ATOM 802 C SER A 51 10.080 1.783 5.234 1.00 0.25 C ATOM 803 O SER A 51 10.228 1.312 6.361 1.00 0.33 O ATOM 804 CB SER A 51 7.571 1.676 5.163 1.00 0.32 C ATOM 805 OG SER A 51 6.431 1.557 4.319 1.00 0.53 O ATOM 0 H SER A 51 8.631 -0.649 4.727 1.00 0.24 H new ATOM 0 HA SER A 51 8.861 2.013 3.488 1.00 0.25 H new ATOM 0 HB2 SER A 51 7.486 0.975 5.994 1.00 0.32 H new ATOM 0 HB3 SER A 51 7.605 2.677 5.593 1.00 0.32 H new ATOM 0 HG SER A 51 6.203 0.610 4.208 1.00 0.53 H new ATOM 811 N THR A 52 10.953 2.614 4.669 1.00 0.24 N ATOM 812 CA THR A 52 12.161 3.063 5.347 1.00 0.28 C ATOM 813 C THR A 52 13.250 1.993 5.264 1.00 0.28 C ATOM 814 O THR A 52 13.001 0.817 5.532 1.00 0.34 O ATOM 815 CB THR A 52 11.890 3.436 6.822 1.00 0.32 C ATOM 816 OG1 THR A 52 10.845 4.422 6.888 1.00 0.35 O ATOM 817 CG2 THR A 52 13.144 3.978 7.491 1.00 0.38 C ATOM 0 H THR A 52 10.841 2.993 3.729 1.00 0.24 H new ATOM 0 HA THR A 52 12.504 3.963 4.837 1.00 0.28 H new ATOM 0 HB THR A 52 11.582 2.534 7.350 1.00 0.32 H new ATOM 0 HG1 THR A 52 10.783 4.772 7.801 1.00 0.35 H new ATOM 0 HG21 THR A 52 12.923 4.232 8.528 1.00 0.38 H new ATOM 0 HG22 THR A 52 13.928 3.221 7.462 1.00 0.38 H new ATOM 0 HG23 THR A 52 13.481 4.870 6.963 1.00 0.38 H new ATOM 825 N GLU A 53 14.451 2.411 4.866 1.00 0.31 N ATOM 826 CA GLU A 53 15.590 1.502 4.737 1.00 0.35 C ATOM 827 C GLU A 53 15.705 0.604 5.969 1.00 0.31 C ATOM 828 O GLU A 53 15.828 -0.618 5.849 1.00 0.37 O ATOM 829 CB GLU A 53 16.882 2.306 4.552 1.00 0.43 C ATOM 830 CG GLU A 53 18.061 1.484 4.061 1.00 0.47 C ATOM 831 CD GLU A 53 17.962 1.145 2.591 1.00 0.57 C ATOM 832 OE1 GLU A 53 18.036 2.072 1.756 1.00 0.73 O ATOM 833 OE2 GLU A 53 17.806 -0.049 2.265 1.00 0.74 O ATOM 0 H GLU A 53 14.661 3.380 4.626 1.00 0.31 H new ATOM 0 HA GLU A 53 15.432 0.871 3.863 1.00 0.35 H new ATOM 0 HB2 GLU A 53 16.696 3.113 3.844 1.00 0.43 H new ATOM 0 HB3 GLU A 53 17.147 2.770 5.502 1.00 0.43 H new ATOM 0 HG2 GLU A 53 18.984 2.035 4.241 1.00 0.47 H new ATOM 0 HG3 GLU A 53 18.122 0.562 4.639 1.00 0.47 H new ATOM 840 N THR A 54 15.661 1.221 7.145 1.00 0.28 N ATOM 841 CA THR A 54 15.754 0.495 8.404 1.00 0.31 C ATOM 842 C THR A 54 14.963 1.213 9.493 1.00 0.33 C ATOM 843 O THR A 54 15.297 2.343 9.865 1.00 0.52 O ATOM 844 CB THR A 54 17.223 0.344 8.852 1.00 0.40 C ATOM 845 OG1 THR A 54 17.970 1.531 8.528 1.00 0.63 O ATOM 846 CG2 THR A 54 17.873 -0.860 8.190 1.00 0.68 C ATOM 0 H THR A 54 15.561 2.230 7.251 1.00 0.28 H new ATOM 0 HA THR A 54 15.333 -0.498 8.245 1.00 0.31 H new ATOM 0 HB THR A 54 17.229 0.196 9.932 1.00 0.40 H new ATOM 0 HG1 THR A 54 18.899 1.422 8.819 1.00 0.63 H new ATOM 0 HG21 THR A 54 18.908 -0.944 8.523 1.00 0.68 H new ATOM 0 HG22 THR A 54 17.329 -1.764 8.465 1.00 0.68 H new ATOM 0 HG23 THR A 54 17.849 -0.737 7.107 1.00 0.68 H new ATOM 854 N GLY A 55 13.907 0.573 9.984 1.00 0.39 N ATOM 855 CA GLY A 55 13.099 1.176 11.030 1.00 0.44 C ATOM 856 C GLY A 55 11.640 0.768 10.976 1.00 0.42 C ATOM 857 O GLY A 55 11.001 0.607 12.018 1.00 0.76 O ATOM 0 H GLY A 55 13.596 -0.349 9.678 1.00 0.39 H new ATOM 0 HA2 GLY A 55 13.510 0.899 12.001 1.00 0.44 H new ATOM 0 HA3 GLY A 55 13.168 2.261 10.952 1.00 0.44 H new ATOM 861 N GLN A 56 11.096 0.611 9.774 1.00 0.34 N ATOM 862 CA GLN A 56 9.696 0.229 9.624 1.00 0.30 C ATOM 863 C GLN A 56 9.562 -1.062 8.820 1.00 0.27 C ATOM 864 O GLN A 56 10.511 -1.511 8.173 1.00 0.38 O ATOM 865 CB GLN A 56 8.885 1.342 8.947 1.00 0.37 C ATOM 866 CG GLN A 56 9.493 2.736 9.056 1.00 0.49 C ATOM 867 CD GLN A 56 9.099 3.482 10.322 1.00 0.76 C ATOM 868 OE1 GLN A 56 8.878 4.693 10.284 1.00 1.02 O ATOM 869 NE2 GLN A 56 9.038 2.789 11.453 1.00 0.89 N ATOM 0 H GLN A 56 11.598 0.741 8.896 1.00 0.34 H new ATOM 0 HA GLN A 56 9.298 0.065 10.626 1.00 0.30 H new ATOM 0 HB2 GLN A 56 8.766 1.095 7.892 1.00 0.37 H new ATOM 0 HB3 GLN A 56 7.887 1.362 9.384 1.00 0.37 H new ATOM 0 HG2 GLN A 56 10.579 2.652 9.018 1.00 0.49 H new ATOM 0 HG3 GLN A 56 9.188 3.324 8.190 1.00 0.49 H new ATOM 0 HE21 GLN A 56 9.227 1.787 11.448 1.00 0.89 H new ATOM 0 HE22 GLN A 56 8.802 3.259 12.327 1.00 0.89 H new ATOM 878 N TYR A 57 8.374 -1.647 8.870 1.00 0.24 N ATOM 879 CA TYR A 57 8.078 -2.886 8.164 1.00 0.23 C ATOM 880 C TYR A 57 6.604 -2.913 7.768 1.00 0.25 C ATOM 881 O TYR A 57 5.728 -3.022 8.624 1.00 0.42 O ATOM 882 CB TYR A 57 8.413 -4.079 9.060 1.00 0.26 C ATOM 883 CG TYR A 57 8.248 -5.429 8.401 1.00 0.35 C ATOM 884 CD1 TYR A 57 6.988 -5.981 8.206 1.00 0.54 C ATOM 885 CD2 TYR A 57 9.354 -6.161 7.995 1.00 0.53 C ATOM 886 CE1 TYR A 57 6.837 -7.222 7.624 1.00 0.73 C ATOM 887 CE2 TYR A 57 9.210 -7.406 7.418 1.00 0.73 C ATOM 888 CZ TYR A 57 7.950 -7.930 7.234 1.00 0.79 C ATOM 889 OH TYR A 57 7.805 -9.180 6.674 1.00 1.03 O ATOM 0 H TYR A 57 7.587 -1.276 9.402 1.00 0.24 H new ATOM 0 HA TYR A 57 8.684 -2.945 7.260 1.00 0.23 H new ATOM 0 HB2 TYR A 57 9.443 -3.981 9.403 1.00 0.26 H new ATOM 0 HB3 TYR A 57 7.777 -4.041 9.945 1.00 0.26 H new ATOM 0 HD1 TYR A 57 6.113 -5.429 8.515 1.00 0.54 H new ATOM 0 HD2 TYR A 57 10.343 -5.750 8.133 1.00 0.53 H new ATOM 0 HE1 TYR A 57 5.851 -7.636 7.475 1.00 0.73 H new ATOM 0 HE2 TYR A 57 10.081 -7.967 7.112 1.00 0.73 H new ATOM 0 HH TYR A 57 8.688 -9.544 6.453 1.00 1.03 H new ATOM 899 N LEU A 58 6.336 -2.801 6.473 1.00 0.20 N ATOM 900 CA LEU A 58 4.965 -2.793 5.973 1.00 0.22 C ATOM 901 C LEU A 58 4.359 -4.194 6.012 1.00 0.23 C ATOM 902 O LEU A 58 4.837 -5.108 5.335 1.00 0.30 O ATOM 903 CB LEU A 58 4.927 -2.244 4.540 1.00 0.27 C ATOM 904 CG LEU A 58 3.605 -1.592 4.116 1.00 0.32 C ATOM 905 CD1 LEU A 58 2.468 -2.602 4.148 1.00 0.39 C ATOM 906 CD2 LEU A 58 3.288 -0.398 5.009 1.00 0.38 C ATOM 0 H LEU A 58 7.049 -2.714 5.749 1.00 0.20 H new ATOM 0 HA LEU A 58 4.372 -2.146 6.620 1.00 0.22 H new ATOM 0 HB2 LEU A 58 5.725 -1.510 4.430 1.00 0.27 H new ATOM 0 HB3 LEU A 58 5.147 -3.060 3.851 1.00 0.27 H new ATOM 0 HG LEU A 58 3.714 -1.237 3.091 1.00 0.32 H new ATOM 0 HD11 LEU A 58 1.541 -2.116 3.843 1.00 0.39 H new ATOM 0 HD12 LEU A 58 2.690 -3.421 3.464 1.00 0.39 H new ATOM 0 HD13 LEU A 58 2.357 -2.993 5.159 1.00 0.39 H new ATOM 0 HD21 LEU A 58 2.347 0.052 4.694 1.00 0.38 H new ATOM 0 HD22 LEU A 58 3.203 -0.730 6.044 1.00 0.38 H new ATOM 0 HD23 LEU A 58 4.087 0.339 4.929 1.00 0.38 H new ATOM 918 N ALA A 59 3.313 -4.356 6.813 1.00 0.23 N ATOM 919 CA ALA A 59 2.631 -5.637 6.939 1.00 0.27 C ATOM 920 C ALA A 59 1.122 -5.440 7.046 1.00 0.24 C ATOM 921 O ALA A 59 0.653 -4.446 7.615 1.00 0.26 O ATOM 922 CB ALA A 59 3.155 -6.403 8.145 1.00 0.35 C ATOM 0 H ALA A 59 2.917 -3.612 7.388 1.00 0.23 H new ATOM 0 HA ALA A 59 2.835 -6.221 6.042 1.00 0.27 H new ATOM 0 HB1 ALA A 59 2.635 -7.357 8.224 1.00 0.35 H new ATOM 0 HB2 ALA A 59 4.224 -6.581 8.027 1.00 0.35 H new ATOM 0 HB3 ALA A 59 2.982 -5.820 9.050 1.00 0.35 H new ATOM 928 N MET A 60 0.366 -6.382 6.493 1.00 0.28 N ATOM 929 CA MET A 60 -1.091 -6.314 6.526 1.00 0.30 C ATOM 930 C MET A 60 -1.656 -7.216 7.618 1.00 0.26 C ATOM 931 O MET A 60 -1.391 -8.417 7.643 1.00 0.44 O ATOM 932 CB MET A 60 -1.694 -6.703 5.168 1.00 0.40 C ATOM 933 CG MET A 60 -1.357 -8.120 4.711 1.00 0.73 C ATOM 934 SD MET A 60 -2.819 -9.084 4.266 1.00 0.93 S ATOM 935 CE MET A 60 -3.431 -9.541 5.886 1.00 1.97 C ATOM 0 H MET A 60 0.738 -7.203 6.016 1.00 0.28 H new ATOM 0 HA MET A 60 -1.364 -5.282 6.747 1.00 0.30 H new ATOM 0 HB2 MET A 60 -2.778 -6.600 5.223 1.00 0.40 H new ATOM 0 HB3 MET A 60 -1.344 -5.998 4.414 1.00 0.40 H new ATOM 0 HG2 MET A 60 -0.687 -8.069 3.853 1.00 0.73 H new ATOM 0 HG3 MET A 60 -0.818 -8.634 5.507 1.00 0.73 H new ATOM 0 HE1 MET A 60 -4.324 -10.156 5.777 1.00 1.97 H new ATOM 0 HE2 MET A 60 -2.665 -10.104 6.419 1.00 1.97 H new ATOM 0 HE3 MET A 60 -3.677 -8.641 6.449 1.00 1.97 H new ATOM 945 N ASP A 61 -2.422 -6.628 8.528 1.00 0.30 N ATOM 946 CA ASP A 61 -3.041 -7.382 9.609 1.00 0.31 C ATOM 947 C ASP A 61 -4.149 -8.272 9.060 1.00 0.29 C ATOM 948 O ASP A 61 -4.899 -7.861 8.168 1.00 0.34 O ATOM 949 CB ASP A 61 -3.612 -6.442 10.670 1.00 0.42 C ATOM 950 CG ASP A 61 -4.165 -7.192 11.861 1.00 0.68 C ATOM 951 OD1 ASP A 61 -5.331 -7.636 11.798 1.00 0.96 O ATOM 952 OD2 ASP A 61 -3.430 -7.347 12.858 1.00 0.94 O ATOM 0 H ASP A 61 -2.629 -5.629 8.538 1.00 0.30 H new ATOM 0 HA ASP A 61 -2.275 -8.004 10.072 1.00 0.31 H new ATOM 0 HB2 ASP A 61 -2.832 -5.758 11.004 1.00 0.42 H new ATOM 0 HB3 ASP A 61 -4.401 -5.834 10.227 1.00 0.42 H new ATOM 957 N THR A 62 -4.253 -9.482 9.598 1.00 0.37 N ATOM 958 CA THR A 62 -5.256 -10.443 9.153 1.00 0.44 C ATOM 959 C THR A 62 -6.650 -9.813 9.042 1.00 0.41 C ATOM 960 O THR A 62 -7.377 -10.075 8.079 1.00 0.50 O ATOM 961 CB THR A 62 -5.314 -11.675 10.089 1.00 0.59 C ATOM 962 OG1 THR A 62 -6.118 -12.711 9.502 1.00 0.85 O ATOM 963 CG2 THR A 62 -5.874 -11.307 11.458 1.00 0.74 C ATOM 0 H THR A 62 -3.651 -9.822 10.348 1.00 0.37 H new ATOM 0 HA THR A 62 -4.949 -10.768 8.159 1.00 0.44 H new ATOM 0 HB THR A 62 -4.294 -12.037 10.221 1.00 0.59 H new ATOM 0 HG1 THR A 62 -6.145 -13.484 10.103 1.00 0.85 H new ATOM 0 HG21 THR A 62 -5.901 -12.194 12.090 1.00 0.74 H new ATOM 0 HG22 THR A 62 -5.239 -10.551 11.920 1.00 0.74 H new ATOM 0 HG23 THR A 62 -6.883 -10.912 11.344 1.00 0.74 H new ATOM 971 N ASP A 63 -7.015 -8.962 10.001 1.00 0.36 N ATOM 972 CA ASP A 63 -8.335 -8.331 9.991 1.00 0.41 C ATOM 973 C ASP A 63 -8.496 -7.388 8.797 1.00 0.40 C ATOM 974 O ASP A 63 -9.613 -7.147 8.334 1.00 0.65 O ATOM 975 CB ASP A 63 -8.586 -7.575 11.296 1.00 0.47 C ATOM 976 CG ASP A 63 -10.006 -7.055 11.395 1.00 0.62 C ATOM 977 OD1 ASP A 63 -10.894 -7.827 11.812 1.00 0.82 O ATOM 978 OD2 ASP A 63 -10.242 -5.877 11.065 1.00 0.75 O ATOM 0 H ASP A 63 -6.422 -8.696 10.787 1.00 0.36 H new ATOM 0 HA ASP A 63 -9.075 -9.126 9.897 1.00 0.41 H new ATOM 0 HB2 ASP A 63 -8.383 -8.234 12.140 1.00 0.47 H new ATOM 0 HB3 ASP A 63 -7.890 -6.740 11.369 1.00 0.47 H new ATOM 983 N GLY A 64 -7.377 -6.880 8.289 1.00 0.45 N ATOM 984 CA GLY A 64 -7.415 -5.975 7.154 1.00 0.50 C ATOM 985 C GLY A 64 -6.864 -4.600 7.479 1.00 0.43 C ATOM 986 O GLY A 64 -7.429 -3.585 7.059 1.00 0.64 O ATOM 0 H GLY A 64 -6.442 -7.080 8.644 1.00 0.45 H new ATOM 0 HA2 GLY A 64 -6.843 -6.406 6.333 1.00 0.50 H new ATOM 0 HA3 GLY A 64 -8.444 -5.876 6.808 1.00 0.50 H new ATOM 990 N LEU A 65 -5.759 -4.564 8.217 1.00 0.40 N ATOM 991 CA LEU A 65 -5.127 -3.307 8.596 1.00 0.34 C ATOM 992 C LEU A 65 -3.661 -3.322 8.188 1.00 0.33 C ATOM 993 O LEU A 65 -2.902 -4.196 8.606 1.00 0.60 O ATOM 994 CB LEU A 65 -5.261 -3.072 10.110 1.00 0.37 C ATOM 995 CG LEU A 65 -4.720 -1.732 10.632 1.00 0.71 C ATOM 996 CD1 LEU A 65 -3.202 -1.750 10.717 1.00 1.23 C ATOM 997 CD2 LEU A 65 -5.187 -0.585 9.749 1.00 1.16 C ATOM 0 H LEU A 65 -5.282 -5.395 8.565 1.00 0.40 H new ATOM 0 HA LEU A 65 -5.629 -2.490 8.078 1.00 0.34 H new ATOM 0 HB2 LEU A 65 -6.315 -3.145 10.377 1.00 0.37 H new ATOM 0 HB3 LEU A 65 -4.744 -3.878 10.630 1.00 0.37 H new ATOM 0 HG LEU A 65 -5.114 -1.581 11.637 1.00 0.71 H new ATOM 0 HD11 LEU A 65 -2.847 -0.789 11.089 1.00 1.23 H new ATOM 0 HD12 LEU A 65 -2.885 -2.542 11.396 1.00 1.23 H new ATOM 0 HD13 LEU A 65 -2.784 -1.932 9.727 1.00 1.23 H new ATOM 0 HD21 LEU A 65 -4.793 0.355 10.135 1.00 1.16 H new ATOM 0 HD22 LEU A 65 -4.826 -0.739 8.732 1.00 1.16 H new ATOM 0 HD23 LEU A 65 -6.276 -0.548 9.746 1.00 1.16 H new ATOM 1009 N LEU A 66 -3.275 -2.375 7.349 1.00 0.37 N ATOM 1010 CA LEU A 66 -1.898 -2.282 6.886 1.00 0.36 C ATOM 1011 C LEU A 66 -1.090 -1.404 7.831 1.00 0.34 C ATOM 1012 O LEU A 66 -1.430 -0.238 8.048 1.00 0.45 O ATOM 1013 CB LEU A 66 -1.841 -1.725 5.459 1.00 0.41 C ATOM 1014 CG LEU A 66 -2.367 -2.667 4.369 1.00 0.50 C ATOM 1015 CD1 LEU A 66 -3.887 -2.765 4.420 1.00 0.57 C ATOM 1016 CD2 LEU A 66 -1.910 -2.202 2.995 1.00 0.61 C ATOM 0 H LEU A 66 -3.896 -1.658 6.973 1.00 0.37 H new ATOM 0 HA LEU A 66 -1.466 -3.283 6.877 1.00 0.36 H new ATOM 0 HB2 LEU A 66 -2.415 -0.799 5.424 1.00 0.41 H new ATOM 0 HB3 LEU A 66 -0.807 -1.468 5.227 1.00 0.41 H new ATOM 0 HG LEU A 66 -1.956 -3.660 4.554 1.00 0.50 H new ATOM 0 HD11 LEU A 66 -4.235 -3.439 3.637 1.00 0.57 H new ATOM 0 HD12 LEU A 66 -4.194 -3.149 5.393 1.00 0.57 H new ATOM 0 HD13 LEU A 66 -4.321 -1.777 4.267 1.00 0.57 H new ATOM 0 HD21 LEU A 66 -2.293 -2.883 2.235 1.00 0.61 H new ATOM 0 HD22 LEU A 66 -2.288 -1.197 2.806 1.00 0.61 H new ATOM 0 HD23 LEU A 66 -0.821 -2.192 2.958 1.00 0.61 H new ATOM 1028 N TYR A 67 -0.031 -1.970 8.394 1.00 0.28 N ATOM 1029 CA TYR A 67 0.822 -1.249 9.327 1.00 0.33 C ATOM 1030 C TYR A 67 2.280 -1.330 8.893 1.00 0.30 C ATOM 1031 O TYR A 67 2.646 -2.177 8.076 1.00 0.32 O ATOM 1032 CB TYR A 67 0.657 -1.804 10.749 1.00 0.43 C ATOM 1033 CG TYR A 67 0.771 -3.309 10.843 1.00 0.41 C ATOM 1034 CD1 TYR A 67 -0.348 -4.120 10.706 1.00 0.45 C ATOM 1035 CD2 TYR A 67 1.997 -3.919 11.073 1.00 0.55 C ATOM 1036 CE1 TYR A 67 -0.248 -5.495 10.797 1.00 0.55 C ATOM 1037 CE2 TYR A 67 2.104 -5.292 11.164 1.00 0.65 C ATOM 1038 CZ TYR A 67 0.977 -6.077 11.025 1.00 0.63 C ATOM 1039 OH TYR A 67 1.076 -7.450 11.115 1.00 0.80 O ATOM 0 H TYR A 67 0.258 -2.932 8.219 1.00 0.28 H new ATOM 0 HA TYR A 67 0.519 -0.202 9.327 1.00 0.33 H new ATOM 0 HB2 TYR A 67 1.412 -1.353 11.393 1.00 0.43 H new ATOM 0 HB3 TYR A 67 -0.316 -1.499 11.135 1.00 0.43 H new ATOM 0 HD1 TYR A 67 -1.312 -3.668 10.525 1.00 0.45 H new ATOM 0 HD2 TYR A 67 2.881 -3.309 11.182 1.00 0.55 H new ATOM 0 HE1 TYR A 67 -1.129 -6.111 10.689 1.00 0.55 H new ATOM 0 HE2 TYR A 67 3.065 -5.750 11.343 1.00 0.65 H new ATOM 0 HH TYR A 67 2.009 -7.701 11.277 1.00 0.80 H new ATOM 1049 N GLY A 68 3.105 -0.447 9.447 1.00 0.34 N ATOM 1050 CA GLY A 68 4.515 -0.428 9.107 1.00 0.38 C ATOM 1051 C GLY A 68 5.415 -0.754 10.288 1.00 0.52 C ATOM 1052 O GLY A 68 6.597 -0.400 10.283 1.00 1.27 O ATOM 0 H GLY A 68 2.820 0.258 10.127 1.00 0.34 H new ATOM 0 HA2 GLY A 68 4.700 -1.145 8.307 1.00 0.38 H new ATOM 0 HA3 GLY A 68 4.776 0.556 8.719 1.00 0.38 H new ATOM 1056 N SER A 69 4.871 -1.430 11.297 1.00 0.36 N ATOM 1057 CA SER A 69 5.643 -1.792 12.479 1.00 0.39 C ATOM 1058 C SER A 69 6.596 -2.945 12.163 1.00 0.32 C ATOM 1059 O SER A 69 6.212 -3.916 11.509 1.00 0.37 O ATOM 1060 CB SER A 69 4.698 -2.168 13.625 1.00 0.51 C ATOM 1061 OG SER A 69 3.660 -1.208 13.759 1.00 1.23 O ATOM 0 H SER A 69 3.899 -1.737 11.318 1.00 0.36 H new ATOM 0 HA SER A 69 6.241 -0.934 12.787 1.00 0.39 H new ATOM 0 HB2 SER A 69 4.268 -3.152 13.439 1.00 0.51 H new ATOM 0 HB3 SER A 69 5.259 -2.236 14.557 1.00 0.51 H new ATOM 0 HG SER A 69 4.048 -0.308 13.781 1.00 1.23 H new ATOM 1067 N GLN A 70 7.841 -2.826 12.621 1.00 0.31 N ATOM 1068 CA GLN A 70 8.853 -3.849 12.378 1.00 0.33 C ATOM 1069 C GLN A 70 8.392 -5.210 12.897 1.00 0.32 C ATOM 1070 O GLN A 70 8.425 -5.477 14.101 1.00 0.45 O ATOM 1071 CB GLN A 70 10.183 -3.447 13.027 1.00 0.43 C ATOM 1072 CG GLN A 70 11.379 -4.271 12.560 1.00 0.61 C ATOM 1073 CD GLN A 70 11.584 -5.541 13.372 1.00 0.93 C ATOM 1074 OE1 GLN A 70 11.253 -5.599 14.556 1.00 1.14 O ATOM 1075 NE2 GLN A 70 12.147 -6.567 12.750 1.00 1.29 N ATOM 0 H GLN A 70 8.172 -2.029 13.164 1.00 0.31 H new ATOM 0 HA GLN A 70 9.001 -3.933 11.301 1.00 0.33 H new ATOM 0 HB2 GLN A 70 10.375 -2.395 12.815 1.00 0.43 H new ATOM 0 HB3 GLN A 70 10.090 -3.542 14.109 1.00 0.43 H new ATOM 0 HG2 GLN A 70 11.243 -4.536 11.511 1.00 0.61 H new ATOM 0 HG3 GLN A 70 12.279 -3.659 12.620 1.00 0.61 H new ATOM 0 HE21 GLN A 70 12.410 -6.486 11.768 1.00 1.29 H new ATOM 0 HE22 GLN A 70 12.318 -7.437 13.254 1.00 1.29 H new ATOM 1084 N THR A 71 7.929 -6.054 11.986 1.00 0.29 N ATOM 1085 CA THR A 71 7.471 -7.393 12.335 1.00 0.33 C ATOM 1086 C THR A 71 7.524 -8.310 11.107 1.00 0.30 C ATOM 1087 O THR A 71 6.536 -8.451 10.382 1.00 0.38 O ATOM 1088 CB THR A 71 6.036 -7.366 12.924 1.00 0.43 C ATOM 1089 OG1 THR A 71 5.992 -6.543 14.106 1.00 0.52 O ATOM 1090 CG2 THR A 71 5.558 -8.770 13.270 1.00 0.58 C ATOM 0 H THR A 71 7.860 -5.834 10.992 1.00 0.29 H new ATOM 0 HA THR A 71 8.139 -7.785 13.101 1.00 0.33 H new ATOM 0 HB THR A 71 5.376 -6.947 12.165 1.00 0.43 H new ATOM 0 HG1 THR A 71 6.904 -6.385 14.429 1.00 0.52 H new ATOM 0 HG21 THR A 71 4.550 -8.720 13.681 1.00 0.58 H new ATOM 0 HG22 THR A 71 5.553 -9.385 12.370 1.00 0.58 H new ATOM 0 HG23 THR A 71 6.229 -9.211 14.007 1.00 0.58 H new ATOM 1098 N PRO A 72 8.699 -8.919 10.841 1.00 0.30 N ATOM 1099 CA PRO A 72 8.892 -9.824 9.702 1.00 0.33 C ATOM 1100 C PRO A 72 7.833 -10.920 9.657 1.00 0.31 C ATOM 1101 O PRO A 72 7.732 -11.738 10.576 1.00 0.44 O ATOM 1102 CB PRO A 72 10.287 -10.426 9.932 1.00 0.44 C ATOM 1103 CG PRO A 72 10.653 -10.066 11.332 1.00 0.50 C ATOM 1104 CD PRO A 72 9.930 -8.788 11.634 1.00 0.41 C ATOM 0 HA PRO A 72 8.805 -9.300 8.750 1.00 0.33 H new ATOM 0 HB2 PRO A 72 10.275 -11.507 9.796 1.00 0.44 H new ATOM 0 HB3 PRO A 72 11.010 -10.024 9.222 1.00 0.44 H new ATOM 0 HG2 PRO A 72 10.360 -10.853 12.026 1.00 0.50 H new ATOM 0 HG3 PRO A 72 11.731 -9.937 11.433 1.00 0.50 H new ATOM 0 HD2 PRO A 72 9.717 -8.685 12.698 1.00 0.41 H new ATOM 0 HD3 PRO A 72 10.511 -7.914 11.339 1.00 0.41 H new ATOM 1112 N ASN A 73 7.042 -10.928 8.589 1.00 0.28 N ATOM 1113 CA ASN A 73 5.985 -11.919 8.427 1.00 0.31 C ATOM 1114 C ASN A 73 5.533 -12.008 6.966 1.00 0.28 C ATOM 1115 O ASN A 73 5.734 -11.074 6.184 1.00 0.31 O ATOM 1116 CB ASN A 73 4.797 -11.591 9.342 1.00 0.38 C ATOM 1117 CG ASN A 73 3.784 -12.724 9.411 1.00 0.72 C ATOM 1118 OD1 ASN A 73 4.098 -13.871 9.088 1.00 1.01 O ATOM 1119 ND2 ASN A 73 2.571 -12.417 9.844 1.00 1.26 N ATOM 0 H ASN A 73 7.113 -10.259 7.823 1.00 0.28 H new ATOM 0 HA ASN A 73 6.385 -12.891 8.714 1.00 0.31 H new ATOM 0 HB2 ASN A 73 5.164 -11.375 10.345 1.00 0.38 H new ATOM 0 HB3 ASN A 73 4.304 -10.688 8.982 1.00 0.38 H new ATOM 0 HD21 ASN A 73 1.858 -13.142 9.920 1.00 1.26 H new ATOM 0 HD22 ASN A 73 2.350 -11.455 10.102 1.00 1.26 H new ATOM 1126 N GLU A 74 4.920 -13.132 6.614 1.00 0.28 N ATOM 1127 CA GLU A 74 4.441 -13.380 5.248 1.00 0.30 C ATOM 1128 C GLU A 74 3.515 -12.262 4.754 1.00 0.28 C ATOM 1129 O GLU A 74 3.435 -11.999 3.551 1.00 0.31 O ATOM 1130 CB GLU A 74 3.705 -14.721 5.186 1.00 0.37 C ATOM 1131 CG GLU A 74 4.524 -15.891 5.712 1.00 0.45 C ATOM 1132 CD GLU A 74 3.666 -17.066 6.130 1.00 0.56 C ATOM 1133 OE1 GLU A 74 2.636 -16.850 6.801 1.00 0.66 O ATOM 1134 OE2 GLU A 74 4.020 -18.211 5.794 1.00 0.79 O ATOM 0 H GLU A 74 4.738 -13.899 7.261 1.00 0.28 H new ATOM 0 HA GLU A 74 5.314 -13.405 4.595 1.00 0.30 H new ATOM 0 HB2 GLU A 74 2.782 -14.646 5.762 1.00 0.37 H new ATOM 0 HB3 GLU A 74 3.421 -14.923 4.153 1.00 0.37 H new ATOM 0 HG2 GLU A 74 5.224 -16.214 4.942 1.00 0.45 H new ATOM 0 HG3 GLU A 74 5.118 -15.559 6.564 1.00 0.45 H new ATOM 1141 N GLU A 75 2.826 -11.608 5.686 1.00 0.28 N ATOM 1142 CA GLU A 75 1.900 -10.520 5.356 1.00 0.30 C ATOM 1143 C GLU A 75 2.551 -9.450 4.470 1.00 0.34 C ATOM 1144 O GLU A 75 1.852 -8.685 3.810 1.00 0.60 O ATOM 1145 CB GLU A 75 1.368 -9.859 6.634 1.00 0.37 C ATOM 1146 CG GLU A 75 0.826 -10.835 7.670 1.00 0.49 C ATOM 1147 CD GLU A 75 0.190 -12.070 7.059 1.00 0.53 C ATOM 1148 OE1 GLU A 75 -0.968 -11.994 6.597 1.00 1.21 O ATOM 1149 OE2 GLU A 75 0.844 -13.131 7.053 1.00 1.26 O ATOM 0 H GLU A 75 2.890 -11.812 6.683 1.00 0.28 H new ATOM 0 HA GLU A 75 1.078 -10.968 4.798 1.00 0.30 H new ATOM 0 HB2 GLU A 75 2.169 -9.276 7.087 1.00 0.37 H new ATOM 0 HB3 GLU A 75 0.577 -9.159 6.364 1.00 0.37 H new ATOM 0 HG2 GLU A 75 1.638 -11.142 8.329 1.00 0.49 H new ATOM 0 HG3 GLU A 75 0.089 -10.324 8.289 1.00 0.49 H new ATOM 1156 N CYS A 76 3.883 -9.394 4.467 1.00 0.25 N ATOM 1157 CA CYS A 76 4.616 -8.409 3.675 1.00 0.28 C ATOM 1158 C CYS A 76 4.555 -8.706 2.169 1.00 0.28 C ATOM 1159 O CYS A 76 4.894 -7.845 1.354 1.00 0.36 O ATOM 1160 CB CYS A 76 6.077 -8.366 4.128 1.00 0.31 C ATOM 1161 SG CYS A 76 6.780 -6.704 4.240 1.00 0.49 S ATOM 0 H CYS A 76 4.478 -10.023 5.007 1.00 0.25 H new ATOM 0 HA CYS A 76 4.140 -7.442 3.839 1.00 0.28 H new ATOM 0 HB2 CYS A 76 6.156 -8.846 5.103 1.00 0.31 H new ATOM 0 HB3 CYS A 76 6.677 -8.954 3.433 1.00 0.31 H new ATOM 0 HG CYS A 76 5.961 -5.929 4.887 1.00 0.49 H new ATOM 1167 N LEU A 77 4.127 -9.911 1.797 1.00 0.27 N ATOM 1168 CA LEU A 77 4.052 -10.285 0.389 1.00 0.31 C ATOM 1169 C LEU A 77 2.721 -9.856 -0.222 1.00 0.25 C ATOM 1170 O LEU A 77 1.662 -10.413 0.100 1.00 0.31 O ATOM 1171 CB LEU A 77 4.253 -11.795 0.225 1.00 0.41 C ATOM 1172 CG LEU A 77 5.711 -12.268 0.277 1.00 0.54 C ATOM 1173 CD1 LEU A 77 6.525 -11.641 -0.848 1.00 0.76 C ATOM 1174 CD2 LEU A 77 6.335 -11.946 1.632 1.00 0.58 C ATOM 0 H LEU A 77 3.829 -10.639 2.446 1.00 0.27 H new ATOM 0 HA LEU A 77 4.851 -9.766 -0.141 1.00 0.31 H new ATOM 0 HB2 LEU A 77 3.693 -12.307 1.008 1.00 0.41 H new ATOM 0 HB3 LEU A 77 3.822 -12.102 -0.728 1.00 0.41 H new ATOM 0 HG LEU A 77 5.720 -13.350 0.143 1.00 0.54 H new ATOM 0 HD11 LEU A 77 7.556 -11.991 -0.790 1.00 0.76 H new ATOM 0 HD12 LEU A 77 6.098 -11.927 -1.809 1.00 0.76 H new ATOM 0 HD13 LEU A 77 6.505 -10.556 -0.750 1.00 0.76 H new ATOM 0 HD21 LEU A 77 7.369 -12.290 1.647 1.00 0.58 H new ATOM 0 HD22 LEU A 77 6.308 -10.869 1.798 1.00 0.58 H new ATOM 0 HD23 LEU A 77 5.774 -12.449 2.420 1.00 0.58 H new ATOM 1186 N PHE A 78 2.780 -8.871 -1.115 1.00 0.21 N ATOM 1187 CA PHE A 78 1.586 -8.355 -1.779 1.00 0.21 C ATOM 1188 C PHE A 78 1.704 -8.499 -3.295 1.00 0.19 C ATOM 1189 O PHE A 78 2.787 -8.752 -3.821 1.00 0.23 O ATOM 1190 CB PHE A 78 1.361 -6.881 -1.423 1.00 0.26 C ATOM 1191 CG PHE A 78 1.197 -6.621 0.049 1.00 0.29 C ATOM 1192 CD1 PHE A 78 -0.058 -6.658 0.636 1.00 0.46 C ATOM 1193 CD2 PHE A 78 2.298 -6.331 0.841 1.00 0.32 C ATOM 1194 CE1 PHE A 78 -0.210 -6.411 1.987 1.00 0.53 C ATOM 1195 CE2 PHE A 78 2.150 -6.084 2.190 1.00 0.38 C ATOM 1196 CZ PHE A 78 0.897 -6.124 2.765 1.00 0.45 C ATOM 0 H PHE A 78 3.647 -8.412 -1.396 1.00 0.21 H new ATOM 0 HA PHE A 78 0.735 -8.940 -1.431 1.00 0.21 H new ATOM 0 HB2 PHE A 78 2.204 -6.297 -1.792 1.00 0.26 H new ATOM 0 HB3 PHE A 78 0.473 -6.524 -1.945 1.00 0.26 H new ATOM 0 HD1 PHE A 78 -0.925 -6.882 0.032 1.00 0.46 H new ATOM 0 HD2 PHE A 78 3.282 -6.298 0.397 1.00 0.32 H new ATOM 0 HE1 PHE A 78 -1.192 -6.442 2.435 1.00 0.53 H new ATOM 0 HE2 PHE A 78 3.015 -5.859 2.796 1.00 0.38 H new ATOM 0 HZ PHE A 78 0.780 -5.931 3.821 1.00 0.45 H new ATOM 1206 N LEU A 79 0.583 -8.344 -3.982 1.00 0.21 N ATOM 1207 CA LEU A 79 0.543 -8.436 -5.435 1.00 0.21 C ATOM 1208 C LEU A 79 0.349 -7.042 -6.030 1.00 0.20 C ATOM 1209 O LEU A 79 -0.665 -6.390 -5.764 1.00 0.21 O ATOM 1210 CB LEU A 79 -0.601 -9.364 -5.868 1.00 0.24 C ATOM 1211 CG LEU A 79 -0.416 -10.071 -7.216 1.00 0.30 C ATOM 1212 CD1 LEU A 79 -0.217 -9.062 -8.336 1.00 0.34 C ATOM 1213 CD2 LEU A 79 0.755 -11.041 -7.154 1.00 0.35 C ATOM 0 H LEU A 79 -0.321 -8.152 -3.551 1.00 0.21 H new ATOM 0 HA LEU A 79 1.484 -8.849 -5.798 1.00 0.21 H new ATOM 0 HB2 LEU A 79 -0.739 -10.123 -5.098 1.00 0.24 H new ATOM 0 HB3 LEU A 79 -1.521 -8.780 -5.909 1.00 0.24 H new ATOM 0 HG LEU A 79 -1.323 -10.638 -7.429 1.00 0.30 H new ATOM 0 HD11 LEU A 79 -0.088 -9.589 -9.282 1.00 0.34 H new ATOM 0 HD12 LEU A 79 -1.089 -8.412 -8.399 1.00 0.34 H new ATOM 0 HD13 LEU A 79 0.669 -8.461 -8.131 1.00 0.34 H new ATOM 0 HD21 LEU A 79 0.871 -11.533 -8.119 1.00 0.35 H new ATOM 0 HD22 LEU A 79 1.667 -10.495 -6.913 1.00 0.35 H new ATOM 0 HD23 LEU A 79 0.567 -11.790 -6.385 1.00 0.35 H new ATOM 1225 N GLU A 80 1.324 -6.587 -6.815 1.00 0.21 N ATOM 1226 CA GLU A 80 1.264 -5.270 -7.445 1.00 0.22 C ATOM 1227 C GLU A 80 0.790 -5.401 -8.889 1.00 0.22 C ATOM 1228 O GLU A 80 1.447 -6.041 -9.714 1.00 0.35 O ATOM 1229 CB GLU A 80 2.637 -4.587 -7.388 1.00 0.28 C ATOM 1230 CG GLU A 80 2.701 -3.247 -8.115 1.00 0.33 C ATOM 1231 CD GLU A 80 3.886 -2.392 -7.686 1.00 0.36 C ATOM 1232 OE1 GLU A 80 5.044 -2.838 -7.827 1.00 0.57 O ATOM 1233 OE2 GLU A 80 3.667 -1.252 -7.214 1.00 0.45 O ATOM 0 H GLU A 80 2.170 -7.115 -7.031 1.00 0.21 H new ATOM 0 HA GLU A 80 0.551 -4.652 -6.899 1.00 0.22 H new ATOM 0 HB2 GLU A 80 2.911 -4.434 -6.344 1.00 0.28 H new ATOM 0 HB3 GLU A 80 3.381 -5.257 -7.818 1.00 0.28 H new ATOM 0 HG2 GLU A 80 2.759 -3.425 -9.189 1.00 0.33 H new ATOM 0 HG3 GLU A 80 1.778 -2.697 -7.932 1.00 0.33 H new ATOM 1240 N ARG A 81 -0.363 -4.818 -9.186 1.00 0.20 N ATOM 1241 CA ARG A 81 -0.925 -4.875 -10.527 1.00 0.23 C ATOM 1242 C ARG A 81 -0.996 -3.479 -11.141 1.00 0.20 C ATOM 1243 O ARG A 81 -1.828 -2.660 -10.746 1.00 0.24 O ATOM 1244 CB ARG A 81 -2.321 -5.499 -10.489 1.00 0.29 C ATOM 1245 CG ARG A 81 -2.922 -5.732 -11.866 1.00 0.39 C ATOM 1246 CD ARG A 81 -4.342 -6.265 -11.773 1.00 0.50 C ATOM 1247 NE ARG A 81 -4.799 -6.832 -13.042 1.00 0.69 N ATOM 1248 CZ ARG A 81 -5.778 -7.736 -13.153 1.00 0.81 C ATOM 1249 NH1 ARG A 81 -6.425 -8.164 -12.070 1.00 1.12 N ATOM 1250 NH2 ARG A 81 -6.112 -8.208 -14.349 1.00 1.02 N ATOM 0 H ARG A 81 -0.928 -4.299 -8.514 1.00 0.20 H new ATOM 0 HA ARG A 81 -0.275 -5.494 -11.145 1.00 0.23 H new ATOM 0 HB2 ARG A 81 -2.270 -6.450 -9.958 1.00 0.29 H new ATOM 0 HB3 ARG A 81 -2.984 -4.850 -9.917 1.00 0.29 H new ATOM 0 HG2 ARG A 81 -2.919 -4.798 -12.428 1.00 0.39 H new ATOM 0 HG3 ARG A 81 -2.303 -6.438 -12.419 1.00 0.39 H new ATOM 0 HD2 ARG A 81 -4.393 -7.028 -10.996 1.00 0.50 H new ATOM 0 HD3 ARG A 81 -5.013 -5.460 -11.473 1.00 0.50 H new ATOM 0 HE ARG A 81 -4.341 -6.517 -13.897 1.00 0.69 H new ATOM 0 HH11 ARG A 81 -6.174 -7.802 -11.150 1.00 1.12 H new ATOM 0 HH12 ARG A 81 -7.171 -8.854 -12.161 1.00 1.12 H new ATOM 0 HH21 ARG A 81 -5.622 -7.881 -15.181 1.00 1.02 H new ATOM 0 HH22 ARG A 81 -6.859 -8.898 -14.435 1.00 1.02 H new ATOM 1264 N LEU A 82 -0.124 -3.211 -12.105 1.00 0.22 N ATOM 1265 CA LEU A 82 -0.094 -1.915 -12.767 1.00 0.24 C ATOM 1266 C LEU A 82 -0.853 -1.971 -14.091 1.00 0.27 C ATOM 1267 O LEU A 82 -0.474 -2.703 -15.007 1.00 0.40 O ATOM 1268 CB LEU A 82 1.352 -1.468 -13.006 1.00 0.32 C ATOM 1269 CG LEU A 82 1.511 -0.039 -13.531 1.00 0.36 C ATOM 1270 CD1 LEU A 82 1.031 0.974 -12.498 1.00 0.43 C ATOM 1271 CD2 LEU A 82 2.960 0.229 -13.912 1.00 0.54 C ATOM 0 H LEU A 82 0.572 -3.875 -12.445 1.00 0.22 H new ATOM 0 HA LEU A 82 -0.581 -1.188 -12.117 1.00 0.24 H new ATOM 0 HB2 LEU A 82 1.903 -1.558 -12.070 1.00 0.32 H new ATOM 0 HB3 LEU A 82 1.815 -2.153 -13.716 1.00 0.32 H new ATOM 0 HG LEU A 82 0.894 0.069 -14.423 1.00 0.36 H new ATOM 0 HD11 LEU A 82 1.154 1.982 -12.893 1.00 0.43 H new ATOM 0 HD12 LEU A 82 -0.021 0.797 -12.276 1.00 0.43 H new ATOM 0 HD13 LEU A 82 1.617 0.868 -11.585 1.00 0.43 H new ATOM 0 HD21 LEU A 82 3.056 1.249 -14.283 1.00 0.54 H new ATOM 0 HD22 LEU A 82 3.596 0.100 -13.036 1.00 0.54 H new ATOM 0 HD23 LEU A 82 3.267 -0.470 -14.690 1.00 0.54 H new ATOM 1283 N GLU A 83 -1.937 -1.213 -14.177 1.00 0.28 N ATOM 1284 CA GLU A 83 -2.745 -1.166 -15.392 1.00 0.36 C ATOM 1285 C GLU A 83 -2.149 -0.189 -16.405 1.00 0.44 C ATOM 1286 O GLU A 83 -2.274 -0.397 -17.609 1.00 1.00 O ATOM 1287 CB GLU A 83 -4.179 -0.759 -15.056 1.00 0.42 C ATOM 1288 CG GLU A 83 -5.119 -0.784 -16.252 1.00 0.67 C ATOM 1289 CD GLU A 83 -6.546 -0.444 -15.884 1.00 0.91 C ATOM 1290 OE1 GLU A 83 -7.232 -1.305 -15.288 1.00 1.19 O ATOM 1291 OE2 GLU A 83 -6.991 0.681 -16.186 1.00 1.24 O ATOM 0 H GLU A 83 -2.279 -0.621 -13.420 1.00 0.28 H new ATOM 0 HA GLU A 83 -2.751 -2.162 -15.836 1.00 0.36 H new ATOM 0 HB2 GLU A 83 -4.566 -1.428 -14.287 1.00 0.42 H new ATOM 0 HB3 GLU A 83 -4.172 0.245 -14.632 1.00 0.42 H new ATOM 0 HG2 GLU A 83 -4.764 -0.077 -17.002 1.00 0.67 H new ATOM 0 HG3 GLU A 83 -5.092 -1.773 -16.708 1.00 0.67 H new ATOM 1298 N GLU A 84 -1.508 0.869 -15.886 1.00 0.37 N ATOM 1299 CA GLU A 84 -0.881 1.932 -16.692 1.00 0.38 C ATOM 1300 C GLU A 84 -1.798 3.153 -16.752 1.00 0.31 C ATOM 1301 O GLU A 84 -1.332 4.283 -16.915 1.00 0.32 O ATOM 1302 CB GLU A 84 -0.508 1.466 -18.114 1.00 0.50 C ATOM 1303 CG GLU A 84 -1.564 1.763 -19.175 1.00 0.90 C ATOM 1304 CD GLU A 84 -1.081 1.464 -20.580 1.00 0.94 C ATOM 1305 OE1 GLU A 84 -0.562 0.354 -20.815 1.00 1.14 O ATOM 1306 OE2 GLU A 84 -1.220 2.339 -21.454 1.00 1.23 O ATOM 0 H GLU A 84 -1.408 1.014 -14.881 1.00 0.37 H new ATOM 0 HA GLU A 84 0.053 2.199 -16.198 1.00 0.38 H new ATOM 0 HB2 GLU A 84 0.427 1.945 -18.406 1.00 0.50 H new ATOM 0 HB3 GLU A 84 -0.323 0.392 -18.094 1.00 0.50 H new ATOM 0 HG2 GLU A 84 -2.457 1.173 -18.969 1.00 0.90 H new ATOM 0 HG3 GLU A 84 -1.854 2.812 -19.110 1.00 0.90 H new ATOM 1313 N ASN A 85 -3.102 2.920 -16.608 1.00 0.34 N ATOM 1314 CA ASN A 85 -4.099 3.990 -16.635 1.00 0.37 C ATOM 1315 C ASN A 85 -3.991 4.866 -15.380 1.00 0.29 C ATOM 1316 O ASN A 85 -4.932 4.970 -14.595 1.00 0.33 O ATOM 1317 CB ASN A 85 -5.504 3.383 -16.759 1.00 0.49 C ATOM 1318 CG ASN A 85 -6.614 4.420 -16.755 1.00 0.58 C ATOM 1319 OD1 ASN A 85 -6.456 5.526 -17.273 1.00 0.64 O ATOM 1320 ND2 ASN A 85 -7.754 4.062 -16.182 1.00 0.79 N ATOM 0 H ASN A 85 -3.496 1.989 -16.470 1.00 0.34 H new ATOM 0 HA ASN A 85 -3.912 4.626 -17.500 1.00 0.37 H new ATOM 0 HB2 ASN A 85 -5.561 2.804 -17.681 1.00 0.49 H new ATOM 0 HB3 ASN A 85 -5.665 2.687 -15.936 1.00 0.49 H new ATOM 0 HD21 ASN A 85 -8.540 4.712 -16.159 1.00 0.79 H new ATOM 0 HD22 ASN A 85 -7.846 3.136 -15.764 1.00 0.79 H new ATOM 1327 N HIS A 86 -2.823 5.484 -15.200 1.00 0.28 N ATOM 1328 CA HIS A 86 -2.545 6.357 -14.052 1.00 0.33 C ATOM 1329 C HIS A 86 -2.988 5.739 -12.719 1.00 0.30 C ATOM 1330 O HIS A 86 -3.298 6.462 -11.774 1.00 0.38 O ATOM 1331 CB HIS A 86 -3.194 7.745 -14.236 1.00 0.45 C ATOM 1332 CG HIS A 86 -4.698 7.755 -14.210 1.00 0.50 C ATOM 1333 ND1 HIS A 86 -5.582 7.448 -13.225 1.00 0.69 N flip ATOM 1334 CD2 HIS A 86 -5.460 8.123 -15.296 1.00 0.58 C flip ATOM 1335 CE1 HIS A 86 -6.842 7.638 -13.737 1.00 0.78 C flip ATOM 1336 NE2 HIS A 86 -6.739 8.043 -14.987 1.00 0.71 N flip ATOM 0 H HIS A 86 -2.039 5.395 -15.846 1.00 0.28 H new ATOM 0 HA HIS A 86 -1.462 6.475 -14.013 1.00 0.33 H new ATOM 0 HB2 HIS A 86 -2.828 8.407 -13.451 1.00 0.45 H new ATOM 0 HB3 HIS A 86 -2.860 8.162 -15.186 1.00 0.45 H new ATOM 0 HD1 HIS A 86 -5.353 7.135 -12.282 1.00 0.69 H new ATOM 0 HD2 HIS A 86 -5.069 8.430 -16.255 1.00 0.58 H new ATOM 0 HE1 HIS A 86 -7.767 7.481 -13.202 1.00 0.78 H new ATOM 1345 N TYR A 87 -3.003 4.408 -12.636 1.00 0.26 N ATOM 1346 CA TYR A 87 -3.398 3.733 -11.403 1.00 0.34 C ATOM 1347 C TYR A 87 -2.998 2.255 -11.434 1.00 0.24 C ATOM 1348 O TYR A 87 -2.729 1.692 -12.504 1.00 0.23 O ATOM 1349 CB TYR A 87 -4.910 3.886 -11.155 1.00 0.53 C ATOM 1350 CG TYR A 87 -5.757 2.727 -11.638 1.00 0.48 C ATOM 1351 CD1 TYR A 87 -5.929 1.595 -10.850 1.00 0.51 C ATOM 1352 CD2 TYR A 87 -6.394 2.769 -12.869 1.00 0.83 C ATOM 1353 CE1 TYR A 87 -6.705 0.537 -11.279 1.00 0.75 C ATOM 1354 CE2 TYR A 87 -7.175 1.716 -13.303 1.00 1.03 C ATOM 1355 CZ TYR A 87 -7.327 0.601 -12.505 1.00 0.95 C ATOM 1356 OH TYR A 87 -8.105 -0.452 -12.934 1.00 1.27 O ATOM 0 H TYR A 87 -2.749 3.783 -13.401 1.00 0.26 H new ATOM 0 HA TYR A 87 -2.869 4.207 -10.576 1.00 0.34 H new ATOM 0 HB2 TYR A 87 -5.076 4.018 -10.086 1.00 0.53 H new ATOM 0 HB3 TYR A 87 -5.253 4.797 -11.645 1.00 0.53 H new ATOM 0 HD1 TYR A 87 -5.447 1.542 -9.885 1.00 0.51 H new ATOM 0 HD2 TYR A 87 -6.277 3.639 -13.498 1.00 0.83 H new ATOM 0 HE1 TYR A 87 -6.823 -0.337 -10.655 1.00 0.75 H new ATOM 0 HE2 TYR A 87 -7.665 1.765 -14.264 1.00 1.03 H new ATOM 0 HH TYR A 87 -7.724 -0.827 -13.756 1.00 1.27 H new ATOM 1366 N ASN A 88 -2.951 1.644 -10.256 1.00 0.24 N ATOM 1367 CA ASN A 88 -2.589 0.236 -10.118 1.00 0.20 C ATOM 1368 C ASN A 88 -3.462 -0.433 -9.053 1.00 0.20 C ATOM 1369 O ASN A 88 -4.277 0.230 -8.407 1.00 0.24 O ATOM 1370 CB ASN A 88 -1.107 0.110 -9.750 1.00 0.21 C ATOM 1371 CG ASN A 88 -0.870 0.082 -8.249 1.00 0.20 C ATOM 1372 OD1 ASN A 88 -1.018 1.227 -7.601 1.00 0.24 O flip ATOM 1373 ND2 ASN A 88 -0.583 -0.965 -7.675 1.00 0.24 N flip ATOM 0 H ASN A 88 -3.162 2.107 -9.372 1.00 0.24 H new ATOM 0 HA ASN A 88 -2.758 -0.267 -11.070 1.00 0.20 H new ATOM 0 HB2 ASN A 88 -0.704 -0.801 -10.193 1.00 0.21 H new ATOM 0 HB3 ASN A 88 -0.558 0.946 -10.184 1.00 0.21 H new ATOM 0 HD21 ASN A 88 -0.478 -1.827 -8.210 1.00 0.24 H new ATOM 0 HD22 ASN A 88 -0.450 -0.972 -6.664 1.00 0.24 H new ATOM 1380 N THR A 89 -3.289 -1.735 -8.874 1.00 0.23 N ATOM 1381 CA THR A 89 -4.060 -2.487 -7.894 1.00 0.26 C ATOM 1382 C THR A 89 -3.143 -3.330 -7.004 1.00 0.21 C ATOM 1383 O THR A 89 -2.168 -3.913 -7.485 1.00 0.25 O ATOM 1384 CB THR A 89 -5.085 -3.413 -8.587 1.00 0.34 C ATOM 1385 OG1 THR A 89 -5.414 -2.903 -9.889 1.00 0.57 O ATOM 1386 CG2 THR A 89 -6.353 -3.537 -7.757 1.00 0.72 C ATOM 0 H THR A 89 -2.617 -2.295 -9.398 1.00 0.23 H new ATOM 0 HA THR A 89 -4.592 -1.763 -7.277 1.00 0.26 H new ATOM 0 HB THR A 89 -4.633 -4.400 -8.686 1.00 0.34 H new ATOM 0 HG1 THR A 89 -6.063 -3.498 -10.319 1.00 0.57 H new ATOM 0 HG21 THR A 89 -7.058 -4.194 -8.266 1.00 0.72 H new ATOM 0 HG22 THR A 89 -6.109 -3.954 -6.780 1.00 0.72 H new ATOM 0 HG23 THR A 89 -6.802 -2.552 -7.629 1.00 0.72 H new ATOM 1394 N TYR A 90 -3.466 -3.392 -5.711 1.00 0.21 N ATOM 1395 CA TYR A 90 -2.678 -4.163 -4.751 1.00 0.21 C ATOM 1396 C TYR A 90 -3.548 -5.187 -4.024 1.00 0.23 C ATOM 1397 O TYR A 90 -4.664 -4.873 -3.602 1.00 0.28 O ATOM 1398 CB TYR A 90 -2.042 -3.240 -3.708 1.00 0.27 C ATOM 1399 CG TYR A 90 -0.897 -2.390 -4.216 1.00 0.25 C ATOM 1400 CD1 TYR A 90 0.319 -2.960 -4.563 1.00 0.26 C ATOM 1401 CD2 TYR A 90 -1.031 -1.014 -4.327 1.00 0.29 C ATOM 1402 CE1 TYR A 90 1.371 -2.181 -5.006 1.00 0.29 C ATOM 1403 CE2 TYR A 90 0.013 -0.229 -4.772 1.00 0.31 C ATOM 1404 CZ TYR A 90 1.212 -0.815 -5.111 1.00 0.31 C ATOM 1405 OH TYR A 90 2.256 -0.030 -5.547 1.00 0.36 O ATOM 0 H TYR A 90 -4.271 -2.915 -5.305 1.00 0.21 H new ATOM 0 HA TYR A 90 -1.900 -4.679 -5.313 1.00 0.21 H new ATOM 0 HB2 TYR A 90 -2.814 -2.582 -3.309 1.00 0.27 H new ATOM 0 HB3 TYR A 90 -1.682 -3.848 -2.878 1.00 0.27 H new ATOM 0 HD1 TYR A 90 0.446 -4.030 -4.486 1.00 0.26 H new ATOM 0 HD2 TYR A 90 -1.969 -0.549 -4.061 1.00 0.29 H new ATOM 0 HE1 TYR A 90 2.313 -2.640 -5.269 1.00 0.29 H new ATOM 0 HE2 TYR A 90 -0.110 0.841 -4.854 1.00 0.31 H new ATOM 0 HH TYR A 90 2.976 -0.602 -5.885 1.00 0.36 H new ATOM 1415 N ILE A 91 -3.035 -6.404 -3.873 1.00 0.22 N ATOM 1416 CA ILE A 91 -3.756 -7.466 -3.169 1.00 0.26 C ATOM 1417 C ILE A 91 -2.783 -8.354 -2.394 1.00 0.27 C ATOM 1418 O ILE A 91 -1.593 -8.403 -2.711 1.00 0.27 O ATOM 1419 CB ILE A 91 -4.600 -8.339 -4.127 1.00 0.28 C ATOM 1420 CG1 ILE A 91 -3.721 -8.954 -5.222 1.00 0.26 C ATOM 1421 CG2 ILE A 91 -5.733 -7.523 -4.738 1.00 0.33 C ATOM 1422 CD1 ILE A 91 -4.463 -9.913 -6.128 1.00 0.31 C ATOM 0 H ILE A 91 -2.121 -6.683 -4.229 1.00 0.22 H new ATOM 0 HA ILE A 91 -4.438 -6.975 -2.475 1.00 0.26 H new ATOM 0 HB ILE A 91 -5.038 -9.153 -3.549 1.00 0.28 H new ATOM 0 HG12 ILE A 91 -3.294 -8.153 -5.826 1.00 0.26 H new ATOM 0 HG13 ILE A 91 -2.888 -9.479 -4.755 1.00 0.26 H new ATOM 0 HG21 ILE A 91 -6.315 -8.154 -5.409 1.00 0.33 H new ATOM 0 HG22 ILE A 91 -6.378 -7.145 -3.945 1.00 0.33 H new ATOM 0 HG23 ILE A 91 -5.317 -6.685 -5.298 1.00 0.33 H new ATOM 0 HD11 ILE A 91 -3.778 -10.309 -6.878 1.00 0.31 H new ATOM 0 HD12 ILE A 91 -4.867 -10.734 -5.536 1.00 0.31 H new ATOM 0 HD13 ILE A 91 -5.279 -9.387 -6.624 1.00 0.31 H new ATOM 1434 N SER A 92 -3.290 -9.041 -1.378 1.00 0.33 N ATOM 1435 CA SER A 92 -2.467 -9.917 -0.552 1.00 0.37 C ATOM 1436 C SER A 92 -2.037 -11.168 -1.323 1.00 0.31 C ATOM 1437 O SER A 92 -2.869 -11.867 -1.896 1.00 0.44 O ATOM 1438 CB SER A 92 -3.243 -10.323 0.701 1.00 0.50 C ATOM 1439 OG SER A 92 -3.956 -9.223 1.239 1.00 0.82 O ATOM 0 H SER A 92 -4.272 -9.008 -1.105 1.00 0.33 H new ATOM 0 HA SER A 92 -1.568 -9.370 -0.268 1.00 0.37 H new ATOM 0 HB2 SER A 92 -3.938 -11.127 0.457 1.00 0.50 H new ATOM 0 HB3 SER A 92 -2.553 -10.714 1.449 1.00 0.50 H new ATOM 0 HG SER A 92 -3.677 -9.075 2.167 1.00 0.82 H new ATOM 1445 N LYS A 93 -0.736 -11.451 -1.312 1.00 0.31 N ATOM 1446 CA LYS A 93 -0.193 -12.616 -2.010 1.00 0.31 C ATOM 1447 C LYS A 93 -0.567 -13.916 -1.289 1.00 0.29 C ATOM 1448 O LYS A 93 -1.225 -14.786 -1.859 1.00 0.35 O ATOM 1449 CB LYS A 93 1.331 -12.486 -2.132 1.00 0.42 C ATOM 1450 CG LYS A 93 2.025 -13.698 -2.740 1.00 0.55 C ATOM 1451 CD LYS A 93 2.472 -14.691 -1.672 1.00 0.74 C ATOM 1452 CE LYS A 93 3.572 -15.616 -2.182 1.00 0.80 C ATOM 1453 NZ LYS A 93 3.099 -16.514 -3.269 1.00 0.80 N ATOM 0 H LYS A 93 -0.037 -10.889 -0.827 1.00 0.31 H new ATOM 0 HA LYS A 93 -0.628 -12.654 -3.009 1.00 0.31 H new ATOM 0 HB2 LYS A 93 1.560 -11.610 -2.739 1.00 0.42 H new ATOM 0 HB3 LYS A 93 1.747 -12.305 -1.141 1.00 0.42 H new ATOM 0 HG2 LYS A 93 1.348 -14.193 -3.436 1.00 0.55 H new ATOM 0 HG3 LYS A 93 2.890 -13.370 -3.316 1.00 0.55 H new ATOM 0 HD2 LYS A 93 2.831 -14.147 -0.798 1.00 0.74 H new ATOM 0 HD3 LYS A 93 1.618 -15.286 -1.349 1.00 0.74 H new ATOM 0 HE2 LYS A 93 4.407 -15.017 -2.547 1.00 0.80 H new ATOM 0 HE3 LYS A 93 3.949 -16.218 -1.355 1.00 0.80 H new ATOM 0 HZ1 LYS A 93 3.886 -17.111 -3.593 1.00 0.80 H new ATOM 0 HZ2 LYS A 93 2.331 -17.118 -2.911 1.00 0.80 H new ATOM 0 HZ3 LYS A 93 2.748 -15.942 -4.064 1.00 0.80 H new ATOM 1467 N LYS A 94 -0.159 -14.035 -0.029 1.00 0.28 N ATOM 1468 CA LYS A 94 -0.443 -15.238 0.755 1.00 0.31 C ATOM 1469 C LYS A 94 -1.947 -15.439 0.975 1.00 0.31 C ATOM 1470 O LYS A 94 -2.397 -16.562 1.205 1.00 0.56 O ATOM 1471 CB LYS A 94 0.274 -15.186 2.109 1.00 0.36 C ATOM 1472 CG LYS A 94 0.218 -16.501 2.875 1.00 0.55 C ATOM 1473 CD LYS A 94 0.826 -16.381 4.263 1.00 0.55 C ATOM 1474 CE LYS A 94 -0.081 -15.613 5.210 1.00 0.63 C ATOM 1475 NZ LYS A 94 0.464 -15.564 6.592 1.00 0.69 N ATOM 0 H LYS A 94 0.367 -13.318 0.471 1.00 0.28 H new ATOM 0 HA LYS A 94 -0.070 -16.086 0.181 1.00 0.31 H new ATOM 0 HB2 LYS A 94 1.317 -14.912 1.949 1.00 0.36 H new ATOM 0 HB3 LYS A 94 -0.173 -14.400 2.718 1.00 0.36 H new ATOM 0 HG2 LYS A 94 -0.819 -16.826 2.961 1.00 0.55 H new ATOM 0 HG3 LYS A 94 0.748 -17.270 2.313 1.00 0.55 H new ATOM 0 HD2 LYS A 94 1.013 -17.377 4.666 1.00 0.55 H new ATOM 0 HD3 LYS A 94 1.791 -15.878 4.195 1.00 0.55 H new ATOM 0 HE2 LYS A 94 -0.216 -14.597 4.838 1.00 0.63 H new ATOM 0 HE3 LYS A 94 -1.066 -16.080 5.226 1.00 0.63 H new ATOM 0 HZ1 LYS A 94 -0.308 -15.703 7.275 1.00 0.69 H new ATOM 0 HZ2 LYS A 94 1.172 -16.316 6.713 1.00 0.69 H new ATOM 0 HZ3 LYS A 94 0.910 -14.639 6.757 1.00 0.69 H new ATOM 1489 N HIS A 95 -2.725 -14.364 0.895 1.00 0.27 N ATOM 1490 CA HIS A 95 -4.167 -14.457 1.116 1.00 0.28 C ATOM 1491 C HIS A 95 -4.934 -14.437 -0.205 1.00 0.27 C ATOM 1492 O HIS A 95 -5.943 -13.745 -0.336 1.00 0.33 O ATOM 1493 CB HIS A 95 -4.646 -13.319 2.028 1.00 0.36 C ATOM 1494 CG HIS A 95 -4.003 -13.316 3.376 1.00 0.41 C ATOM 1495 ND1 HIS A 95 -4.434 -14.103 4.421 1.00 0.64 N ATOM 1496 CD2 HIS A 95 -2.946 -12.616 3.847 1.00 0.46 C ATOM 1497 CE1 HIS A 95 -3.668 -13.888 5.475 1.00 0.65 C ATOM 1498 NE2 HIS A 95 -2.760 -12.991 5.150 1.00 0.50 N ATOM 0 H HIS A 95 -2.387 -13.426 0.681 1.00 0.27 H new ATOM 0 HA HIS A 95 -4.368 -15.409 1.607 1.00 0.28 H new ATOM 0 HB2 HIS A 95 -4.447 -12.366 1.539 1.00 0.36 H new ATOM 0 HB3 HIS A 95 -5.726 -13.395 2.151 1.00 0.36 H new ATOM 0 HD2 HIS A 95 -2.358 -11.896 3.297 1.00 0.46 H new ATOM 0 HE1 HIS A 95 -3.769 -14.366 6.438 1.00 0.65 H new ATOM 0 HE2 HIS A 95 -2.034 -12.633 5.770 1.00 0.50 H new ATOM 1507 N ALA A 96 -4.467 -15.222 -1.173 1.00 0.31 N ATOM 1508 CA ALA A 96 -5.109 -15.293 -2.486 1.00 0.35 C ATOM 1509 C ALA A 96 -6.605 -15.601 -2.372 1.00 0.34 C ATOM 1510 O ALA A 96 -7.410 -15.115 -3.170 1.00 0.41 O ATOM 1511 CB ALA A 96 -4.421 -16.341 -3.350 1.00 0.44 C ATOM 0 H ALA A 96 -3.646 -15.819 -1.074 1.00 0.31 H new ATOM 0 HA ALA A 96 -5.009 -14.315 -2.956 1.00 0.35 H new ATOM 0 HB1 ALA A 96 -4.907 -16.385 -4.325 1.00 0.44 H new ATOM 0 HB2 ALA A 96 -3.372 -16.074 -3.479 1.00 0.44 H new ATOM 0 HB3 ALA A 96 -4.491 -17.315 -2.865 1.00 0.44 H new ATOM 1517 N GLU A 97 -6.976 -16.410 -1.383 1.00 0.34 N ATOM 1518 CA GLU A 97 -8.375 -16.780 -1.184 1.00 0.38 C ATOM 1519 C GLU A 97 -9.194 -15.618 -0.618 1.00 0.37 C ATOM 1520 O GLU A 97 -10.416 -15.589 -0.767 1.00 0.50 O ATOM 1521 CB GLU A 97 -8.482 -18.003 -0.268 1.00 0.46 C ATOM 1522 CG GLU A 97 -7.820 -19.250 -0.842 1.00 0.57 C ATOM 1523 CD GLU A 97 -8.039 -19.395 -2.337 1.00 0.73 C ATOM 1524 OE1 GLU A 97 -9.208 -19.501 -2.764 1.00 0.97 O ATOM 1525 OE2 GLU A 97 -7.046 -19.407 -3.090 1.00 0.93 O ATOM 0 H GLU A 97 -6.330 -16.821 -0.709 1.00 0.34 H new ATOM 0 HA GLU A 97 -8.789 -17.032 -2.160 1.00 0.38 H new ATOM 0 HB2 GLU A 97 -8.025 -17.768 0.694 1.00 0.46 H new ATOM 0 HB3 GLU A 97 -9.534 -18.214 -0.078 1.00 0.46 H new ATOM 0 HG2 GLU A 97 -6.750 -19.215 -0.638 1.00 0.57 H new ATOM 0 HG3 GLU A 97 -8.213 -20.131 -0.334 1.00 0.57 H new ATOM 1532 N LYS A 98 -8.528 -14.660 0.015 1.00 0.33 N ATOM 1533 CA LYS A 98 -9.207 -13.505 0.591 1.00 0.38 C ATOM 1534 C LYS A 98 -8.574 -12.216 0.066 1.00 0.37 C ATOM 1535 O LYS A 98 -8.196 -11.330 0.836 1.00 0.47 O ATOM 1536 CB LYS A 98 -9.143 -13.558 2.123 1.00 0.48 C ATOM 1537 CG LYS A 98 -9.709 -14.840 2.714 1.00 0.60 C ATOM 1538 CD LYS A 98 -9.649 -14.837 4.236 1.00 0.70 C ATOM 1539 CE LYS A 98 -10.788 -14.028 4.841 1.00 0.78 C ATOM 1540 NZ LYS A 98 -10.657 -13.890 6.319 1.00 0.89 N ATOM 0 H LYS A 98 -7.516 -14.660 0.143 1.00 0.33 H new ATOM 0 HA LYS A 98 -10.256 -13.524 0.295 1.00 0.38 H new ATOM 0 HB2 LYS A 98 -8.105 -13.450 2.439 1.00 0.48 H new ATOM 0 HB3 LYS A 98 -9.690 -12.708 2.530 1.00 0.48 H new ATOM 0 HG2 LYS A 98 -10.743 -14.963 2.391 1.00 0.60 H new ATOM 0 HG3 LYS A 98 -9.151 -15.694 2.330 1.00 0.60 H new ATOM 0 HD2 LYS A 98 -9.694 -15.862 4.604 1.00 0.70 H new ATOM 0 HD3 LYS A 98 -8.695 -14.423 4.562 1.00 0.70 H new ATOM 0 HE2 LYS A 98 -10.810 -13.038 4.386 1.00 0.78 H new ATOM 0 HE3 LYS A 98 -11.738 -14.508 4.605 1.00 0.78 H new ATOM 0 HZ1 LYS A 98 -11.454 -13.332 6.688 1.00 0.89 H new ATOM 0 HZ2 LYS A 98 -10.662 -14.833 6.758 1.00 0.89 H new ATOM 0 HZ3 LYS A 98 -9.763 -13.408 6.545 1.00 0.89 H new ATOM 1554 N ASN A 99 -8.456 -12.131 -1.256 1.00 0.40 N ATOM 1555 CA ASN A 99 -7.862 -10.969 -1.907 1.00 0.48 C ATOM 1556 C ASN A 99 -8.770 -9.748 -1.791 1.00 0.44 C ATOM 1557 O ASN A 99 -9.754 -9.611 -2.521 1.00 0.78 O ATOM 1558 CB ASN A 99 -7.549 -11.269 -3.384 1.00 0.64 C ATOM 1559 CG ASN A 99 -8.775 -11.652 -4.201 1.00 0.72 C ATOM 1560 OD1 ASN A 99 -9.194 -12.811 -4.207 1.00 0.82 O ATOM 1561 ND2 ASN A 99 -9.351 -10.689 -4.907 1.00 1.07 N ATOM 0 H ASN A 99 -8.766 -12.858 -1.900 1.00 0.40 H new ATOM 0 HA ASN A 99 -6.926 -10.745 -1.395 1.00 0.48 H new ATOM 0 HB2 ASN A 99 -7.083 -10.392 -3.833 1.00 0.64 H new ATOM 0 HB3 ASN A 99 -6.821 -12.079 -3.435 1.00 0.64 H new ATOM 0 HD21 ASN A 99 -10.169 -10.896 -5.480 1.00 1.07 H new ATOM 0 HD22 ASN A 99 -8.976 -9.741 -4.877 1.00 1.07 H new ATOM 1568 N TRP A 100 -8.437 -8.866 -0.859 1.00 0.33 N ATOM 1569 CA TRP A 100 -9.203 -7.648 -0.646 1.00 0.32 C ATOM 1570 C TRP A 100 -8.350 -6.427 -0.977 1.00 0.32 C ATOM 1571 O TRP A 100 -7.223 -6.296 -0.490 1.00 0.46 O ATOM 1572 CB TRP A 100 -9.706 -7.573 0.798 1.00 0.38 C ATOM 1573 CG TRP A 100 -10.824 -8.527 1.095 1.00 0.41 C ATOM 1574 CD1 TRP A 100 -10.777 -9.610 1.923 1.00 0.54 C ATOM 1575 CD2 TRP A 100 -12.153 -8.484 0.564 1.00 0.57 C ATOM 1576 NE1 TRP A 100 -11.999 -10.239 1.946 1.00 0.59 N ATOM 1577 CE2 TRP A 100 -12.860 -9.565 1.120 1.00 0.63 C ATOM 1578 CE3 TRP A 100 -12.817 -7.630 -0.321 1.00 0.83 C ATOM 1579 CZ2 TRP A 100 -14.194 -9.820 0.814 1.00 0.85 C ATOM 1580 CZ3 TRP A 100 -14.141 -7.884 -0.623 1.00 1.09 C ATOM 1581 CH2 TRP A 100 -14.818 -8.969 -0.053 1.00 1.08 C ATOM 0 H TRP A 100 -7.637 -8.973 -0.236 1.00 0.33 H new ATOM 0 HA TRP A 100 -10.068 -7.662 -1.309 1.00 0.32 H new ATOM 0 HB2 TRP A 100 -8.876 -7.778 1.474 1.00 0.38 H new ATOM 0 HB3 TRP A 100 -10.042 -6.557 1.004 1.00 0.38 H new ATOM 0 HD1 TRP A 100 -9.907 -9.927 2.479 1.00 0.54 H new ATOM 0 HE1 TRP A 100 -12.228 -11.072 2.489 1.00 0.59 H new ATOM 0 HE3 TRP A 100 -12.305 -6.787 -0.761 1.00 0.83 H new ATOM 0 HZ2 TRP A 100 -14.717 -10.660 1.247 1.00 0.85 H new ATOM 0 HZ3 TRP A 100 -14.663 -7.235 -1.310 1.00 1.09 H new ATOM 0 HH2 TRP A 100 -15.855 -9.136 -0.304 1.00 1.08 H new ATOM 1592 N PHE A 101 -8.891 -5.543 -1.808 1.00 0.28 N ATOM 1593 CA PHE A 101 -8.184 -4.333 -2.221 1.00 0.29 C ATOM 1594 C PHE A 101 -7.904 -3.427 -1.023 1.00 0.29 C ATOM 1595 O PHE A 101 -8.784 -3.197 -0.186 1.00 0.38 O ATOM 1596 CB PHE A 101 -8.991 -3.573 -3.280 1.00 0.34 C ATOM 1597 CG PHE A 101 -9.373 -4.417 -4.461 1.00 0.41 C ATOM 1598 CD1 PHE A 101 -8.406 -4.884 -5.335 1.00 0.49 C ATOM 1599 CD2 PHE A 101 -10.698 -4.743 -4.694 1.00 0.54 C ATOM 1600 CE1 PHE A 101 -8.755 -5.662 -6.421 1.00 0.60 C ATOM 1601 CE2 PHE A 101 -11.052 -5.521 -5.778 1.00 0.64 C ATOM 1602 CZ PHE A 101 -10.080 -5.981 -6.644 1.00 0.64 C ATOM 0 H PHE A 101 -9.822 -5.642 -2.212 1.00 0.28 H new ATOM 0 HA PHE A 101 -7.230 -4.633 -2.655 1.00 0.29 H new ATOM 0 HB2 PHE A 101 -9.896 -3.175 -2.820 1.00 0.34 H new ATOM 0 HB3 PHE A 101 -8.408 -2.720 -3.627 1.00 0.34 H new ATOM 0 HD1 PHE A 101 -7.368 -4.637 -5.166 1.00 0.49 H new ATOM 0 HD2 PHE A 101 -11.463 -4.385 -4.021 1.00 0.54 H new ATOM 0 HE1 PHE A 101 -7.992 -6.021 -7.096 1.00 0.60 H new ATOM 0 HE2 PHE A 101 -12.089 -5.770 -5.949 1.00 0.64 H new ATOM 0 HZ PHE A 101 -10.355 -6.589 -7.493 1.00 0.64 H new ATOM 1612 N VAL A 102 -6.681 -2.911 -0.956 1.00 0.30 N ATOM 1613 CA VAL A 102 -6.262 -2.030 0.134 1.00 0.35 C ATOM 1614 C VAL A 102 -6.945 -0.656 0.047 1.00 0.55 C ATOM 1615 O VAL A 102 -7.981 -0.507 -0.607 1.00 1.36 O ATOM 1616 CB VAL A 102 -4.722 -1.855 0.138 1.00 0.57 C ATOM 1617 CG1 VAL A 102 -4.031 -3.197 0.322 1.00 0.67 C ATOM 1618 CG2 VAL A 102 -4.246 -1.172 -1.142 1.00 0.82 C ATOM 0 H VAL A 102 -5.955 -3.089 -1.650 1.00 0.30 H new ATOM 0 HA VAL A 102 -6.569 -2.503 1.067 1.00 0.35 H new ATOM 0 HB VAL A 102 -4.456 -1.215 0.979 1.00 0.57 H new ATOM 0 HG11 VAL A 102 -2.951 -3.053 0.322 1.00 0.67 H new ATOM 0 HG12 VAL A 102 -4.338 -3.638 1.270 1.00 0.67 H new ATOM 0 HG13 VAL A 102 -4.308 -3.864 -0.494 1.00 0.67 H new ATOM 0 HG21 VAL A 102 -3.162 -1.061 -1.114 1.00 0.82 H new ATOM 0 HG22 VAL A 102 -4.527 -1.778 -2.004 1.00 0.82 H new ATOM 0 HG23 VAL A 102 -4.709 -0.189 -1.224 1.00 0.82 H new ATOM 1628 N GLY A 103 -6.379 0.342 0.728 1.00 0.48 N ATOM 1629 CA GLY A 103 -6.941 1.680 0.704 1.00 0.46 C ATOM 1630 C GLY A 103 -6.922 2.334 2.073 1.00 0.41 C ATOM 1631 O GLY A 103 -7.473 1.784 3.032 1.00 0.59 O ATOM 0 H GLY A 103 -5.538 0.244 1.297 1.00 0.48 H new ATOM 0 HA2 GLY A 103 -6.379 2.296 0.001 1.00 0.46 H new ATOM 0 HA3 GLY A 103 -7.967 1.635 0.339 1.00 0.46 H new ATOM 1635 N LEU A 104 -6.279 3.494 2.168 1.00 0.37 N ATOM 1636 CA LEU A 104 -6.192 4.225 3.423 1.00 0.34 C ATOM 1637 C LEU A 104 -6.892 5.572 3.294 1.00 0.34 C ATOM 1638 O LEU A 104 -6.883 6.186 2.225 1.00 0.49 O ATOM 1639 CB LEU A 104 -4.730 4.421 3.841 1.00 0.38 C ATOM 1640 CG LEU A 104 -3.933 5.432 3.005 1.00 0.46 C ATOM 1641 CD1 LEU A 104 -3.419 6.560 3.886 1.00 0.69 C ATOM 1642 CD2 LEU A 104 -2.781 4.749 2.284 1.00 0.66 C ATOM 0 H LEU A 104 -5.809 3.948 1.385 1.00 0.37 H new ATOM 0 HA LEU A 104 -6.690 3.641 4.197 1.00 0.34 H new ATOM 0 HB2 LEU A 104 -4.708 4.740 4.883 1.00 0.38 H new ATOM 0 HB3 LEU A 104 -4.224 3.457 3.792 1.00 0.38 H new ATOM 0 HG LEU A 104 -4.599 5.855 2.253 1.00 0.46 H new ATOM 0 HD11 LEU A 104 -2.856 7.268 3.278 1.00 0.69 H new ATOM 0 HD12 LEU A 104 -4.262 7.071 4.352 1.00 0.69 H new ATOM 0 HD13 LEU A 104 -2.770 6.150 4.660 1.00 0.69 H new ATOM 0 HD21 LEU A 104 -2.231 5.485 1.698 1.00 0.66 H new ATOM 0 HD22 LEU A 104 -2.113 4.294 3.015 1.00 0.66 H new ATOM 0 HD23 LEU A 104 -3.173 3.977 1.621 1.00 0.66 H new ATOM 1654 N LYS A 105 -7.519 6.011 4.376 1.00 0.39 N ATOM 1655 CA LYS A 105 -8.225 7.280 4.380 1.00 0.41 C ATOM 1656 C LYS A 105 -7.330 8.396 4.911 1.00 0.32 C ATOM 1657 O LYS A 105 -6.643 8.222 5.921 1.00 0.34 O ATOM 1658 CB LYS A 105 -9.496 7.181 5.227 1.00 0.58 C ATOM 1659 CG LYS A 105 -10.623 8.063 4.724 1.00 0.58 C ATOM 1660 CD LYS A 105 -11.226 7.517 3.442 1.00 0.61 C ATOM 1661 CE LYS A 105 -12.399 8.359 2.976 1.00 0.73 C ATOM 1662 NZ LYS A 105 -11.984 9.728 2.568 1.00 0.60 N ATOM 0 H LYS A 105 -7.552 5.506 5.261 1.00 0.39 H new ATOM 0 HA LYS A 105 -8.502 7.517 3.353 1.00 0.41 H new ATOM 0 HB2 LYS A 105 -9.834 6.145 5.242 1.00 0.58 H new ATOM 0 HB3 LYS A 105 -9.261 7.455 6.256 1.00 0.58 H new ATOM 0 HG2 LYS A 105 -11.397 8.138 5.488 1.00 0.58 H new ATOM 0 HG3 LYS A 105 -10.248 9.071 4.550 1.00 0.58 H new ATOM 0 HD2 LYS A 105 -10.464 7.490 2.663 1.00 0.61 H new ATOM 0 HD3 LYS A 105 -11.555 6.490 3.602 1.00 0.61 H new ATOM 0 HE2 LYS A 105 -12.888 7.864 2.136 1.00 0.73 H new ATOM 0 HE3 LYS A 105 -13.135 8.428 3.777 1.00 0.73 H new ATOM 0 HZ1 LYS A 105 -12.751 10.177 2.027 1.00 0.60 H new ATOM 0 HZ2 LYS A 105 -11.780 10.296 3.415 1.00 0.60 H new ATOM 0 HZ3 LYS A 105 -11.131 9.670 1.976 1.00 0.60 H new ATOM 1676 N LYS A 106 -7.356 9.544 4.234 1.00 0.36 N ATOM 1677 CA LYS A 106 -6.549 10.711 4.616 1.00 0.46 C ATOM 1678 C LYS A 106 -6.590 10.966 6.123 1.00 0.51 C ATOM 1679 O LYS A 106 -5.593 11.379 6.716 1.00 0.67 O ATOM 1680 CB LYS A 106 -7.031 11.957 3.861 1.00 0.60 C ATOM 1681 CG LYS A 106 -8.520 12.242 4.023 1.00 0.67 C ATOM 1682 CD LYS A 106 -8.937 13.506 3.287 1.00 0.90 C ATOM 1683 CE LYS A 106 -10.423 13.784 3.465 1.00 1.14 C ATOM 1684 NZ LYS A 106 -10.801 15.136 2.976 1.00 1.43 N ATOM 0 H LYS A 106 -7.934 9.695 3.407 1.00 0.36 H new ATOM 0 HA LYS A 106 -5.515 10.497 4.345 1.00 0.46 H new ATOM 0 HB2 LYS A 106 -6.466 12.822 4.209 1.00 0.60 H new ATOM 0 HB3 LYS A 106 -6.808 11.836 2.801 1.00 0.60 H new ATOM 0 HG2 LYS A 106 -9.095 11.396 3.647 1.00 0.67 H new ATOM 0 HG3 LYS A 106 -8.758 12.343 5.082 1.00 0.67 H new ATOM 0 HD2 LYS A 106 -8.359 14.353 3.658 1.00 0.90 H new ATOM 0 HD3 LYS A 106 -8.708 13.404 2.226 1.00 0.90 H new ATOM 0 HE2 LYS A 106 -10.999 13.030 2.928 1.00 1.14 H new ATOM 0 HE3 LYS A 106 -10.685 13.694 4.519 1.00 1.14 H new ATOM 0 HZ1 LYS A 106 -11.821 15.283 3.116 1.00 1.43 H new ATOM 0 HZ2 LYS A 106 -10.271 15.857 3.505 1.00 1.43 H new ATOM 0 HZ3 LYS A 106 -10.576 15.214 1.964 1.00 1.43 H new ATOM 1698 N ASN A 107 -7.748 10.720 6.733 1.00 0.53 N ATOM 1699 CA ASN A 107 -7.924 10.915 8.173 1.00 0.70 C ATOM 1700 C ASN A 107 -6.958 10.039 8.982 1.00 0.65 C ATOM 1701 O ASN A 107 -6.742 10.281 10.172 1.00 0.82 O ATOM 1702 CB ASN A 107 -9.373 10.600 8.569 1.00 0.83 C ATOM 1703 CG ASN A 107 -9.640 10.793 10.051 1.00 1.04 C ATOM 1704 OD1 ASN A 107 -9.416 9.890 10.858 1.00 1.17 O ATOM 1705 ND2 ASN A 107 -10.140 11.964 10.419 1.00 1.38 N ATOM 0 H ASN A 107 -8.582 10.384 6.251 1.00 0.53 H new ATOM 0 HA ASN A 107 -7.701 11.957 8.401 1.00 0.70 H new ATOM 0 HB2 ASN A 107 -10.047 11.239 7.998 1.00 0.83 H new ATOM 0 HB3 ASN A 107 -9.603 9.570 8.295 1.00 0.83 H new ATOM 0 HD21 ASN A 107 -10.353 12.142 11.401 1.00 1.38 H new ATOM 0 HD22 ASN A 107 -10.312 12.687 9.721 1.00 1.38 H new ATOM 1712 N GLY A 108 -6.376 9.029 8.337 1.00 0.49 N ATOM 1713 CA GLY A 108 -5.460 8.134 9.017 1.00 0.55 C ATOM 1714 C GLY A 108 -6.150 6.853 9.419 1.00 0.52 C ATOM 1715 O GLY A 108 -6.125 6.463 10.587 1.00 1.00 O ATOM 0 H GLY A 108 -6.525 8.816 7.351 1.00 0.49 H new ATOM 0 HA2 GLY A 108 -4.617 7.907 8.365 1.00 0.55 H new ATOM 0 HA3 GLY A 108 -5.055 8.626 9.902 1.00 0.55 H new ATOM 1719 N SER A 109 -6.792 6.208 8.454 1.00 0.52 N ATOM 1720 CA SER A 109 -7.514 4.974 8.712 1.00 0.56 C ATOM 1721 C SER A 109 -7.577 4.119 7.449 1.00 0.51 C ATOM 1722 O SER A 109 -8.092 4.559 6.418 1.00 0.81 O ATOM 1723 CB SER A 109 -8.932 5.293 9.204 1.00 0.75 C ATOM 1724 OG SER A 109 -8.928 6.392 10.105 1.00 0.97 O ATOM 0 H SER A 109 -6.826 6.522 7.484 1.00 0.52 H new ATOM 0 HA SER A 109 -6.986 4.414 9.483 1.00 0.56 H new ATOM 0 HB2 SER A 109 -9.573 5.520 8.352 1.00 0.75 H new ATOM 0 HB3 SER A 109 -9.355 4.417 9.696 1.00 0.75 H new ATOM 0 HG SER A 109 -9.844 6.575 10.402 1.00 0.97 H new ATOM 1730 N CYS A 110 -7.025 2.915 7.522 1.00 0.37 N ATOM 1731 CA CYS A 110 -7.037 1.999 6.387 1.00 0.38 C ATOM 1732 C CYS A 110 -8.397 1.307 6.285 1.00 0.36 C ATOM 1733 O CYS A 110 -9.095 1.146 7.290 1.00 0.54 O ATOM 1734 CB CYS A 110 -5.921 0.960 6.535 1.00 0.47 C ATOM 1735 SG CYS A 110 -4.285 1.676 6.820 1.00 0.61 S ATOM 0 H CYS A 110 -6.563 2.549 8.355 1.00 0.37 H new ATOM 0 HA CYS A 110 -6.864 2.567 5.473 1.00 0.38 H new ATOM 0 HB2 CYS A 110 -6.165 0.295 7.363 1.00 0.47 H new ATOM 0 HB3 CYS A 110 -5.887 0.347 5.634 1.00 0.47 H new ATOM 0 HG CYS A 110 -3.408 0.723 6.934 1.00 0.61 H new ATOM 1741 N LYS A 111 -8.789 0.932 5.074 1.00 0.38 N ATOM 1742 CA LYS A 111 -10.059 0.247 4.861 1.00 0.44 C ATOM 1743 C LYS A 111 -9.878 -0.952 3.940 1.00 0.47 C ATOM 1744 O LYS A 111 -9.996 -0.843 2.713 1.00 0.88 O ATOM 1745 CB LYS A 111 -11.117 1.206 4.307 1.00 0.60 C ATOM 1746 CG LYS A 111 -11.684 2.138 5.364 1.00 0.69 C ATOM 1747 CD LYS A 111 -12.499 1.373 6.399 1.00 0.79 C ATOM 1748 CE LYS A 111 -12.361 1.980 7.789 1.00 0.94 C ATOM 1749 NZ LYS A 111 -11.216 1.402 8.540 1.00 1.27 N ATOM 0 H LYS A 111 -8.247 1.090 4.225 1.00 0.38 H new ATOM 0 HA LYS A 111 -10.411 -0.116 5.827 1.00 0.44 H new ATOM 0 HB2 LYS A 111 -10.678 1.799 3.505 1.00 0.60 H new ATOM 0 HB3 LYS A 111 -11.929 0.627 3.867 1.00 0.60 H new ATOM 0 HG2 LYS A 111 -10.870 2.668 5.859 1.00 0.69 H new ATOM 0 HG3 LYS A 111 -12.312 2.891 4.888 1.00 0.69 H new ATOM 0 HD2 LYS A 111 -13.549 1.371 6.106 1.00 0.79 H new ATOM 0 HD3 LYS A 111 -12.173 0.333 6.422 1.00 0.79 H new ATOM 0 HE2 LYS A 111 -12.229 3.059 7.702 1.00 0.94 H new ATOM 0 HE3 LYS A 111 -13.282 1.815 8.349 1.00 0.94 H new ATOM 0 HZ1 LYS A 111 -11.000 2.004 9.360 1.00 1.27 H new ATOM 0 HZ2 LYS A 111 -11.463 0.446 8.867 1.00 1.27 H new ATOM 0 HZ3 LYS A 111 -10.384 1.351 7.919 1.00 1.27 H new ATOM 1763 N ARG A 112 -9.560 -2.086 4.555 1.00 0.36 N ATOM 1764 CA ARG A 112 -9.358 -3.340 3.840 1.00 0.36 C ATOM 1765 C ARG A 112 -10.289 -4.421 4.397 1.00 0.37 C ATOM 1766 O ARG A 112 -10.875 -5.199 3.643 1.00 0.47 O ATOM 1767 CB ARG A 112 -7.895 -3.786 3.970 1.00 0.39 C ATOM 1768 CG ARG A 112 -7.380 -4.609 2.795 1.00 0.42 C ATOM 1769 CD ARG A 112 -8.007 -5.996 2.749 1.00 0.55 C ATOM 1770 NE ARG A 112 -7.546 -6.861 3.843 1.00 0.81 N ATOM 1771 CZ ARG A 112 -8.340 -7.685 4.548 1.00 1.24 C ATOM 1772 NH1 ARG A 112 -9.657 -7.704 4.345 1.00 1.69 N ATOM 1773 NH2 ARG A 112 -7.810 -8.480 5.479 1.00 1.57 N ATOM 0 H ARG A 112 -9.435 -2.161 5.565 1.00 0.36 H new ATOM 0 HA ARG A 112 -9.590 -3.187 2.786 1.00 0.36 H new ATOM 0 HB2 ARG A 112 -7.267 -2.902 4.081 1.00 0.39 H new ATOM 0 HB3 ARG A 112 -7.786 -4.371 4.883 1.00 0.39 H new ATOM 0 HG2 ARG A 112 -7.594 -4.084 1.864 1.00 0.42 H new ATOM 0 HG3 ARG A 112 -6.296 -4.704 2.866 1.00 0.42 H new ATOM 0 HD2 ARG A 112 -9.092 -5.902 2.798 1.00 0.55 H new ATOM 0 HD3 ARG A 112 -7.770 -6.466 1.795 1.00 0.55 H new ATOM 0 HE ARG A 112 -6.555 -6.835 4.084 1.00 0.81 H new ATOM 0 HH11 ARG A 112 -10.074 -7.088 3.647 1.00 1.69 H new ATOM 0 HH12 ARG A 112 -10.248 -8.335 4.887 1.00 1.69 H new ATOM 0 HH21 ARG A 112 -6.805 -8.461 5.654 1.00 1.57 H new ATOM 0 HH22 ARG A 112 -8.410 -9.107 6.016 1.00 1.57 H new ATOM 1787 N GLY A 113 -10.415 -4.462 5.726 1.00 0.36 N ATOM 1788 CA GLY A 113 -11.269 -5.442 6.370 1.00 0.43 C ATOM 1789 C GLY A 113 -12.748 -5.099 6.295 1.00 0.41 C ATOM 1790 O GLY A 113 -13.529 -5.880 5.751 1.00 0.46 O ATOM 0 H GLY A 113 -9.937 -3.829 6.367 1.00 0.36 H new ATOM 0 HA2 GLY A 113 -11.106 -6.415 5.907 1.00 0.43 H new ATOM 0 HA3 GLY A 113 -10.978 -5.534 7.416 1.00 0.43 H new ATOM 1794 N PRO A 114 -13.165 -3.933 6.836 1.00 0.44 N ATOM 1795 CA PRO A 114 -14.575 -3.514 6.839 1.00 0.50 C ATOM 1796 C PRO A 114 -15.280 -3.781 5.511 1.00 0.41 C ATOM 1797 O PRO A 114 -16.327 -4.430 5.474 1.00 0.45 O ATOM 1798 CB PRO A 114 -14.489 -2.010 7.119 1.00 0.62 C ATOM 1799 CG PRO A 114 -13.255 -1.854 7.938 1.00 0.71 C ATOM 1800 CD PRO A 114 -12.297 -2.931 7.486 1.00 0.52 C ATOM 0 HA PRO A 114 -15.162 -4.068 7.571 1.00 0.50 H new ATOM 0 HB2 PRO A 114 -14.427 -1.437 6.194 1.00 0.62 H new ATOM 0 HB3 PRO A 114 -15.369 -1.655 7.655 1.00 0.62 H new ATOM 0 HG2 PRO A 114 -12.820 -0.865 7.798 1.00 0.71 H new ATOM 0 HG3 PRO A 114 -13.479 -1.956 9.000 1.00 0.71 H new ATOM 0 HD2 PRO A 114 -11.553 -2.538 6.793 1.00 0.52 H new ATOM 0 HD3 PRO A 114 -11.753 -3.360 8.328 1.00 0.52 H new ATOM 1808 N ARG A 115 -14.691 -3.293 4.422 1.00 0.38 N ATOM 1809 CA ARG A 115 -15.266 -3.463 3.094 1.00 0.39 C ATOM 1810 C ARG A 115 -14.431 -2.707 2.065 1.00 0.44 C ATOM 1811 O ARG A 115 -14.026 -1.566 2.305 1.00 0.81 O ATOM 1812 CB ARG A 115 -16.713 -2.957 3.080 1.00 0.51 C ATOM 1813 CG ARG A 115 -17.379 -2.993 1.716 1.00 0.57 C ATOM 1814 CD ARG A 115 -18.566 -2.047 1.667 1.00 0.69 C ATOM 1815 NE ARG A 115 -18.180 -0.677 2.015 1.00 0.90 N ATOM 1816 CZ ARG A 115 -19.042 0.321 2.230 1.00 1.11 C ATOM 1817 NH1 ARG A 115 -20.353 0.125 2.107 1.00 1.30 N ATOM 1818 NH2 ARG A 115 -18.580 1.520 2.571 1.00 1.47 N ATOM 0 H ARG A 115 -13.812 -2.775 4.436 1.00 0.38 H new ATOM 0 HA ARG A 115 -15.264 -4.522 2.838 1.00 0.39 H new ATOM 0 HB2 ARG A 115 -17.301 -3.558 3.774 1.00 0.51 H new ATOM 0 HB3 ARG A 115 -16.730 -1.933 3.452 1.00 0.51 H new ATOM 0 HG2 ARG A 115 -16.657 -2.717 0.947 1.00 0.57 H new ATOM 0 HG3 ARG A 115 -17.709 -4.008 1.495 1.00 0.57 H new ATOM 0 HD2 ARG A 115 -19.001 -2.060 0.668 1.00 0.69 H new ATOM 0 HD3 ARG A 115 -19.337 -2.394 2.355 1.00 0.69 H new ATOM 0 HE ARG A 115 -17.185 -0.471 2.099 1.00 0.90 H new ATOM 0 HH11 ARG A 115 -20.709 -0.795 1.846 1.00 1.30 H new ATOM 0 HH12 ARG A 115 -21.002 0.894 2.274 1.00 1.30 H new ATOM 0 HH21 ARG A 115 -17.576 1.671 2.666 1.00 1.47 H new ATOM 0 HH22 ARG A 115 -19.230 2.289 2.737 1.00 1.47 H new ATOM 1832 N THR A 116 -14.173 -3.339 0.930 1.00 0.36 N ATOM 1833 CA THR A 116 -13.379 -2.725 -0.118 1.00 0.38 C ATOM 1834 C THR A 116 -13.897 -3.144 -1.501 1.00 0.39 C ATOM 1835 O THR A 116 -13.852 -4.318 -1.873 1.00 0.51 O ATOM 1836 CB THR A 116 -11.878 -3.078 0.055 1.00 0.45 C ATOM 1837 OG1 THR A 116 -11.050 -2.127 -0.634 1.00 0.57 O ATOM 1838 CG2 THR A 116 -11.573 -4.485 -0.441 1.00 0.58 C ATOM 0 H THR A 116 -14.504 -4.279 0.713 1.00 0.36 H new ATOM 0 HA THR A 116 -13.476 -1.642 -0.039 1.00 0.38 H new ATOM 0 HB THR A 116 -11.656 -3.038 1.121 1.00 0.45 H new ATOM 0 HG1 THR A 116 -10.136 -2.474 -0.696 1.00 0.57 H new ATOM 0 HG21 THR A 116 -10.513 -4.697 -0.304 1.00 0.58 H new ATOM 0 HG22 THR A 116 -12.163 -5.206 0.124 1.00 0.58 H new ATOM 0 HG23 THR A 116 -11.824 -4.560 -1.499 1.00 0.58 H new ATOM 1846 N HIS A 117 -14.415 -2.166 -2.240 1.00 0.37 N ATOM 1847 CA HIS A 117 -14.966 -2.389 -3.578 1.00 0.39 C ATOM 1848 C HIS A 117 -15.574 -1.092 -4.102 1.00 0.36 C ATOM 1849 O HIS A 117 -15.211 -0.616 -5.178 1.00 0.42 O ATOM 1850 CB HIS A 117 -16.026 -3.502 -3.563 1.00 0.43 C ATOM 1851 CG HIS A 117 -15.602 -4.746 -4.289 1.00 0.57 C ATOM 1852 ND1 HIS A 117 -16.483 -5.730 -4.682 1.00 0.85 N ATOM 1853 CD2 HIS A 117 -14.374 -5.169 -4.680 1.00 0.77 C ATOM 1854 CE1 HIS A 117 -15.820 -6.703 -5.278 1.00 0.95 C ATOM 1855 NE2 HIS A 117 -14.538 -6.387 -5.292 1.00 0.89 N ATOM 0 H HIS A 117 -14.465 -1.196 -1.930 1.00 0.37 H new ATOM 0 HA HIS A 117 -14.157 -2.705 -4.237 1.00 0.39 H new ATOM 0 HB2 HIS A 117 -16.259 -3.756 -2.529 1.00 0.43 H new ATOM 0 HB3 HIS A 117 -16.944 -3.124 -4.013 1.00 0.43 H new ATOM 0 HD2 HIS A 117 -13.441 -4.645 -4.537 1.00 0.77 H new ATOM 0 HE1 HIS A 117 -16.253 -7.605 -5.685 1.00 0.95 H new ATOM 0 HE2 HIS A 117 -13.791 -6.955 -5.692 1.00 0.89 H new ATOM 1864 N TYR A 118 -16.493 -0.525 -3.326 1.00 0.38 N ATOM 1865 CA TYR A 118 -17.139 0.732 -3.689 1.00 0.41 C ATOM 1866 C TYR A 118 -16.226 1.900 -3.336 1.00 0.39 C ATOM 1867 O TYR A 118 -15.543 1.867 -2.308 1.00 0.48 O ATOM 1868 CB TYR A 118 -18.476 0.889 -2.956 1.00 0.51 C ATOM 1869 CG TYR A 118 -19.611 0.083 -3.549 1.00 0.56 C ATOM 1870 CD1 TYR A 118 -20.346 0.574 -4.621 1.00 0.79 C ATOM 1871 CD2 TYR A 118 -19.955 -1.157 -3.027 1.00 0.75 C ATOM 1872 CE1 TYR A 118 -21.394 -0.149 -5.159 1.00 0.92 C ATOM 1873 CE2 TYR A 118 -20.999 -1.889 -3.560 1.00 0.87 C ATOM 1874 CZ TYR A 118 -21.718 -1.380 -4.623 1.00 0.86 C ATOM 1875 OH TYR A 118 -22.768 -2.101 -5.150 1.00 1.05 O ATOM 0 H TYR A 118 -16.808 -0.918 -2.439 1.00 0.38 H new ATOM 0 HA TYR A 118 -17.329 0.724 -4.762 1.00 0.41 H new ATOM 0 HB2 TYR A 118 -18.343 0.595 -1.915 1.00 0.51 H new ATOM 0 HB3 TYR A 118 -18.755 1.943 -2.956 1.00 0.51 H new ATOM 0 HD1 TYR A 118 -20.094 1.537 -5.041 1.00 0.79 H new ATOM 0 HD2 TYR A 118 -19.398 -1.555 -2.192 1.00 0.75 H new ATOM 0 HE1 TYR A 118 -21.956 0.246 -5.993 1.00 0.92 H new ATOM 0 HE2 TYR A 118 -21.251 -2.855 -3.147 1.00 0.87 H new ATOM 0 HH TYR A 118 -22.864 -2.945 -4.661 1.00 1.05 H new ATOM 1885 N GLY A 119 -16.211 2.920 -4.185 1.00 0.38 N ATOM 1886 CA GLY A 119 -15.381 4.084 -3.935 1.00 0.39 C ATOM 1887 C GLY A 119 -14.033 3.992 -4.620 1.00 0.37 C ATOM 1888 O GLY A 119 -13.330 2.987 -4.489 1.00 0.44 O ATOM 0 H GLY A 119 -16.760 2.962 -5.044 1.00 0.38 H new ATOM 0 HA2 GLY A 119 -15.900 4.978 -4.280 1.00 0.39 H new ATOM 0 HA3 GLY A 119 -15.232 4.197 -2.861 1.00 0.39 H new ATOM 1892 N GLN A 120 -13.669 5.054 -5.334 1.00 0.37 N ATOM 1893 CA GLN A 120 -12.400 5.117 -6.062 1.00 0.38 C ATOM 1894 C GLN A 120 -11.242 4.566 -5.225 1.00 0.37 C ATOM 1895 O GLN A 120 -10.380 3.860 -5.745 1.00 0.34 O ATOM 1896 CB GLN A 120 -12.096 6.562 -6.472 1.00 0.50 C ATOM 1897 CG GLN A 120 -13.058 7.127 -7.507 1.00 0.64 C ATOM 1898 CD GLN A 120 -12.707 6.714 -8.924 1.00 0.80 C ATOM 1899 OE1 GLN A 120 -11.908 7.528 -9.596 1.00 0.99 O flip ATOM 1900 NE2 GLN A 120 -13.152 5.676 -9.411 1.00 1.00 N flip ATOM 0 H GLN A 120 -14.241 5.893 -5.426 1.00 0.37 H new ATOM 0 HA GLN A 120 -12.501 4.497 -6.953 1.00 0.38 H new ATOM 0 HB2 GLN A 120 -12.122 7.194 -5.584 1.00 0.50 H new ATOM 0 HB3 GLN A 120 -11.082 6.611 -6.869 1.00 0.50 H new ATOM 0 HG2 GLN A 120 -14.070 6.793 -7.276 1.00 0.64 H new ATOM 0 HG3 GLN A 120 -13.058 8.215 -7.440 1.00 0.64 H new ATOM 0 HE21 GLN A 120 -13.765 5.076 -8.859 1.00 1.00 H new ATOM 0 HE22 GLN A 120 -12.908 5.415 -10.366 1.00 1.00 H new ATOM 1909 N LYS A 121 -11.240 4.873 -3.926 1.00 0.51 N ATOM 1910 CA LYS A 121 -10.179 4.414 -3.026 1.00 0.61 C ATOM 1911 C LYS A 121 -9.948 2.906 -3.146 1.00 0.58 C ATOM 1912 O LYS A 121 -8.840 2.425 -2.916 1.00 0.70 O ATOM 1913 CB LYS A 121 -10.509 4.783 -1.568 1.00 0.89 C ATOM 1914 CG LYS A 121 -11.347 3.744 -0.827 1.00 1.06 C ATOM 1915 CD LYS A 121 -10.485 2.637 -0.230 1.00 1.39 C ATOM 1916 CE LYS A 121 -11.230 1.308 -0.193 1.00 1.34 C ATOM 1917 NZ LYS A 121 -10.337 0.162 0.148 1.00 1.70 N ATOM 0 H LYS A 121 -11.960 5.437 -3.474 1.00 0.51 H new ATOM 0 HA LYS A 121 -9.260 4.919 -3.323 1.00 0.61 H new ATOM 0 HB2 LYS A 121 -9.576 4.934 -1.025 1.00 0.89 H new ATOM 0 HB3 LYS A 121 -11.041 5.734 -1.559 1.00 0.89 H new ATOM 0 HG2 LYS A 121 -11.911 4.233 -0.033 1.00 1.06 H new ATOM 0 HG3 LYS A 121 -12.074 3.308 -1.513 1.00 1.06 H new ATOM 0 HD2 LYS A 121 -9.573 2.528 -0.817 1.00 1.39 H new ATOM 0 HD3 LYS A 121 -10.183 2.914 0.780 1.00 1.39 H new ATOM 0 HE2 LYS A 121 -12.036 1.367 0.539 1.00 1.34 H new ATOM 0 HE3 LYS A 121 -11.693 1.128 -1.163 1.00 1.34 H new ATOM 0 HZ1 LYS A 121 -10.772 -0.725 -0.177 1.00 1.70 H new ATOM 0 HZ2 LYS A 121 -9.417 0.288 -0.320 1.00 1.70 H new ATOM 0 HZ3 LYS A 121 -10.200 0.124 1.178 1.00 1.70 H new ATOM 1931 N ALA A 122 -10.995 2.162 -3.488 1.00 0.54 N ATOM 1932 CA ALA A 122 -10.891 0.716 -3.620 1.00 0.65 C ATOM 1933 C ALA A 122 -10.005 0.321 -4.799 1.00 0.57 C ATOM 1934 O ALA A 122 -9.334 -0.710 -4.753 1.00 0.72 O ATOM 1935 CB ALA A 122 -12.272 0.100 -3.764 1.00 0.77 C ATOM 0 H ALA A 122 -11.924 2.538 -3.678 1.00 0.54 H new ATOM 0 HA ALA A 122 -10.424 0.332 -2.713 1.00 0.65 H new ATOM 0 HB1 ALA A 122 -12.180 -0.982 -3.862 1.00 0.77 H new ATOM 0 HB2 ALA A 122 -12.869 0.335 -2.883 1.00 0.77 H new ATOM 0 HB3 ALA A 122 -12.760 0.504 -4.651 1.00 0.77 H new ATOM 1941 N ILE A 123 -9.998 1.143 -5.849 1.00 0.43 N ATOM 1942 CA ILE A 123 -9.199 0.855 -7.038 1.00 0.48 C ATOM 1943 C ILE A 123 -8.681 2.147 -7.673 1.00 0.41 C ATOM 1944 O ILE A 123 -9.081 2.509 -8.782 1.00 0.61 O ATOM 1945 CB ILE A 123 -10.001 0.054 -8.100 1.00 0.61 C ATOM 1946 CG1 ILE A 123 -10.737 -1.133 -7.470 1.00 0.74 C ATOM 1947 CG2 ILE A 123 -9.076 -0.434 -9.207 1.00 0.77 C ATOM 1948 CD1 ILE A 123 -12.107 -0.781 -6.927 1.00 0.79 C ATOM 0 H ILE A 123 -10.534 2.009 -5.900 1.00 0.43 H new ATOM 0 HA ILE A 123 -8.358 0.245 -6.707 1.00 0.48 H new ATOM 0 HB ILE A 123 -10.746 0.725 -8.526 1.00 0.61 H new ATOM 0 HG12 ILE A 123 -10.843 -1.921 -8.216 1.00 0.74 H new ATOM 0 HG13 ILE A 123 -10.129 -1.539 -6.662 1.00 0.74 H new ATOM 0 HG21 ILE A 123 -9.653 -0.993 -9.943 1.00 0.77 H new ATOM 0 HG22 ILE A 123 -8.604 0.421 -9.690 1.00 0.77 H new ATOM 0 HG23 ILE A 123 -8.308 -1.080 -8.781 1.00 0.77 H new ATOM 0 HD11 ILE A 123 -12.567 -1.670 -6.497 1.00 0.79 H new ATOM 0 HD12 ILE A 123 -12.008 -0.015 -6.157 1.00 0.79 H new ATOM 0 HD13 ILE A 123 -12.733 -0.403 -7.736 1.00 0.79 H new ATOM 1960 N LEU A 124 -7.799 2.846 -6.966 1.00 0.31 N ATOM 1961 CA LEU A 124 -7.231 4.092 -7.474 1.00 0.29 C ATOM 1962 C LEU A 124 -5.930 4.431 -6.747 1.00 0.26 C ATOM 1963 O LEU A 124 -5.823 5.461 -6.071 1.00 0.38 O ATOM 1964 CB LEU A 124 -8.241 5.238 -7.340 1.00 0.33 C ATOM 1965 CG LEU A 124 -7.920 6.488 -8.166 1.00 0.50 C ATOM 1966 CD1 LEU A 124 -7.734 6.134 -9.637 1.00 0.63 C ATOM 1967 CD2 LEU A 124 -9.016 7.531 -7.999 1.00 0.58 C ATOM 0 H LEU A 124 -7.462 2.573 -6.043 1.00 0.31 H new ATOM 0 HA LEU A 124 -7.003 3.957 -8.531 1.00 0.29 H new ATOM 0 HB2 LEU A 124 -9.225 4.871 -7.633 1.00 0.33 H new ATOM 0 HB3 LEU A 124 -8.307 5.523 -6.290 1.00 0.33 H new ATOM 0 HG LEU A 124 -6.984 6.909 -7.799 1.00 0.50 H new ATOM 0 HD11 LEU A 124 -7.507 7.038 -10.203 1.00 0.63 H new ATOM 0 HD12 LEU A 124 -6.912 5.426 -9.740 1.00 0.63 H new ATOM 0 HD13 LEU A 124 -8.650 5.685 -10.022 1.00 0.63 H new ATOM 0 HD21 LEU A 124 -8.773 8.413 -8.592 1.00 0.58 H new ATOM 0 HD22 LEU A 124 -9.966 7.117 -8.337 1.00 0.58 H new ATOM 0 HD23 LEU A 124 -9.095 7.811 -6.949 1.00 0.58 H new ATOM 1979 N PHE A 125 -4.941 3.555 -6.895 1.00 0.20 N ATOM 1980 CA PHE A 125 -3.639 3.741 -6.263 1.00 0.23 C ATOM 1981 C PHE A 125 -2.590 4.079 -7.318 1.00 0.17 C ATOM 1982 O PHE A 125 -2.477 3.378 -8.329 1.00 0.18 O ATOM 1983 CB PHE A 125 -3.226 2.477 -5.502 1.00 0.33 C ATOM 1984 CG PHE A 125 -4.324 1.908 -4.647 1.00 0.30 C ATOM 1985 CD1 PHE A 125 -4.640 2.484 -3.428 1.00 0.40 C ATOM 1986 CD2 PHE A 125 -5.045 0.802 -5.069 1.00 0.41 C ATOM 1987 CE1 PHE A 125 -5.653 1.967 -2.643 1.00 0.51 C ATOM 1988 CE2 PHE A 125 -6.058 0.282 -4.288 1.00 0.51 C ATOM 1989 CZ PHE A 125 -6.363 0.864 -3.075 1.00 0.54 C ATOM 0 H PHE A 125 -5.018 2.703 -7.451 1.00 0.20 H new ATOM 0 HA PHE A 125 -3.712 4.566 -5.554 1.00 0.23 H new ATOM 0 HB2 PHE A 125 -2.904 1.720 -6.217 1.00 0.33 H new ATOM 0 HB3 PHE A 125 -2.367 2.706 -4.872 1.00 0.33 H new ATOM 0 HD1 PHE A 125 -4.088 3.347 -3.087 1.00 0.40 H new ATOM 0 HD2 PHE A 125 -4.812 0.342 -6.018 1.00 0.41 H new ATOM 0 HE1 PHE A 125 -5.889 2.425 -1.694 1.00 0.51 H new ATOM 0 HE2 PHE A 125 -6.612 -0.581 -4.627 1.00 0.51 H new ATOM 0 HZ PHE A 125 -7.156 0.458 -2.464 1.00 0.54 H new ATOM 1999 N LEU A 126 -1.830 5.140 -7.082 1.00 0.18 N ATOM 2000 CA LEU A 126 -0.796 5.574 -8.017 1.00 0.19 C ATOM 2001 C LEU A 126 0.567 5.630 -7.325 1.00 0.20 C ATOM 2002 O LEU A 126 0.852 6.561 -6.569 1.00 0.33 O ATOM 2003 CB LEU A 126 -1.152 6.945 -8.604 1.00 0.32 C ATOM 2004 CG LEU A 126 -0.167 7.498 -9.642 1.00 0.39 C ATOM 2005 CD1 LEU A 126 -0.003 6.528 -10.806 1.00 0.44 C ATOM 2006 CD2 LEU A 126 -0.632 8.864 -10.138 1.00 0.59 C ATOM 0 H LEU A 126 -1.910 5.720 -6.247 1.00 0.18 H new ATOM 0 HA LEU A 126 -0.740 4.849 -8.829 1.00 0.19 H new ATOM 0 HB2 LEU A 126 -2.138 6.878 -9.064 1.00 0.32 H new ATOM 0 HB3 LEU A 126 -1.230 7.661 -7.786 1.00 0.32 H new ATOM 0 HG LEU A 126 0.806 7.616 -9.164 1.00 0.39 H new ATOM 0 HD11 LEU A 126 0.700 6.942 -11.529 1.00 0.44 H new ATOM 0 HD12 LEU A 126 0.376 5.576 -10.435 1.00 0.44 H new ATOM 0 HD13 LEU A 126 -0.968 6.371 -11.288 1.00 0.44 H new ATOM 0 HD21 LEU A 126 0.076 9.244 -10.874 1.00 0.59 H new ATOM 0 HD22 LEU A 126 -1.616 8.769 -10.597 1.00 0.59 H new ATOM 0 HD23 LEU A 126 -0.689 9.556 -9.298 1.00 0.59 H new ATOM 2018 N PRO A 127 1.412 4.613 -7.544 1.00 0.21 N ATOM 2019 CA PRO A 127 2.735 4.535 -6.961 1.00 0.29 C ATOM 2020 C PRO A 127 3.822 4.983 -7.941 1.00 0.25 C ATOM 2021 O PRO A 127 3.561 5.146 -9.136 1.00 0.38 O ATOM 2022 CB PRO A 127 2.854 3.038 -6.673 1.00 0.42 C ATOM 2023 CG PRO A 127 2.041 2.370 -7.745 1.00 0.43 C ATOM 2024 CD PRO A 127 1.153 3.428 -8.367 1.00 0.32 C ATOM 0 HA PRO A 127 2.863 5.179 -6.091 1.00 0.29 H new ATOM 0 HB2 PRO A 127 3.893 2.711 -6.705 1.00 0.42 H new ATOM 0 HB3 PRO A 127 2.474 2.796 -5.681 1.00 0.42 H new ATOM 0 HG2 PRO A 127 2.691 1.924 -8.498 1.00 0.43 H new ATOM 0 HG3 PRO A 127 1.440 1.564 -7.324 1.00 0.43 H new ATOM 0 HD2 PRO A 127 1.406 3.602 -9.413 1.00 0.32 H new ATOM 0 HD3 PRO A 127 0.102 3.139 -8.337 1.00 0.32 H new ATOM 2032 N LEU A 128 5.036 5.185 -7.437 1.00 0.22 N ATOM 2033 CA LEU A 128 6.153 5.590 -8.288 1.00 0.21 C ATOM 2034 C LEU A 128 6.552 4.433 -9.205 1.00 0.23 C ATOM 2035 O LEU A 128 6.565 3.277 -8.775 1.00 0.26 O ATOM 2036 CB LEU A 128 7.358 6.036 -7.446 1.00 0.23 C ATOM 2037 CG LEU A 128 8.363 6.934 -8.177 1.00 0.30 C ATOM 2038 CD1 LEU A 128 7.716 8.256 -8.553 1.00 0.38 C ATOM 2039 CD2 LEU A 128 9.592 7.172 -7.316 1.00 0.37 C ATOM 0 H LEU A 128 5.272 5.076 -6.451 1.00 0.22 H new ATOM 0 HA LEU A 128 5.832 6.438 -8.893 1.00 0.21 H new ATOM 0 HB2 LEU A 128 6.992 6.567 -6.567 1.00 0.23 H new ATOM 0 HB3 LEU A 128 7.880 5.149 -7.088 1.00 0.23 H new ATOM 0 HG LEU A 128 8.676 6.428 -9.090 1.00 0.30 H new ATOM 0 HD11 LEU A 128 8.442 8.882 -9.071 1.00 0.38 H new ATOM 0 HD12 LEU A 128 6.864 8.071 -9.207 1.00 0.38 H new ATOM 0 HD13 LEU A 128 7.377 8.765 -7.651 1.00 0.38 H new ATOM 0 HD21 LEU A 128 10.293 7.811 -7.852 1.00 0.37 H new ATOM 0 HD22 LEU A 128 9.296 7.657 -6.386 1.00 0.37 H new ATOM 0 HD23 LEU A 128 10.069 6.218 -7.092 1.00 0.37 H new ATOM 2051 N PRO A 129 6.877 4.728 -10.477 1.00 0.27 N ATOM 2052 CA PRO A 129 7.264 3.709 -11.459 1.00 0.33 C ATOM 2053 C PRO A 129 8.249 2.675 -10.906 1.00 0.33 C ATOM 2054 O PRO A 129 8.066 1.473 -11.106 1.00 0.67 O ATOM 2055 CB PRO A 129 7.914 4.533 -12.571 1.00 0.45 C ATOM 2056 CG PRO A 129 7.217 5.848 -12.514 1.00 0.47 C ATOM 2057 CD PRO A 129 6.886 6.085 -11.063 1.00 0.30 C ATOM 0 HA PRO A 129 6.409 3.115 -11.781 1.00 0.33 H new ATOM 0 HB2 PRO A 129 8.986 4.644 -12.408 1.00 0.45 H new ATOM 0 HB3 PRO A 129 7.787 4.058 -13.544 1.00 0.45 H new ATOM 0 HG2 PRO A 129 7.853 6.643 -12.903 1.00 0.47 H new ATOM 0 HG3 PRO A 129 6.313 5.836 -13.123 1.00 0.47 H new ATOM 0 HD2 PRO A 129 7.628 6.723 -10.583 1.00 0.30 H new ATOM 0 HD3 PRO A 129 5.920 6.577 -10.948 1.00 0.30 H new ATOM 2065 N VAL A 130 9.282 3.150 -10.209 1.00 0.37 N ATOM 2066 CA VAL A 130 10.308 2.274 -9.631 1.00 0.35 C ATOM 2067 C VAL A 130 9.699 1.011 -9.017 1.00 0.38 C ATOM 2068 O VAL A 130 9.178 1.037 -7.900 1.00 0.57 O ATOM 2069 CB VAL A 130 11.149 3.012 -8.560 1.00 0.40 C ATOM 2070 CG1 VAL A 130 12.094 4.003 -9.221 1.00 0.47 C ATOM 2071 CG2 VAL A 130 10.256 3.728 -7.551 1.00 0.44 C ATOM 0 H VAL A 130 9.433 4.143 -10.029 1.00 0.37 H new ATOM 0 HA VAL A 130 10.960 1.982 -10.454 1.00 0.35 H new ATOM 0 HB VAL A 130 11.735 2.267 -8.022 1.00 0.40 H new ATOM 0 HG11 VAL A 130 12.678 4.514 -8.456 1.00 0.47 H new ATOM 0 HG12 VAL A 130 12.765 3.471 -9.896 1.00 0.47 H new ATOM 0 HG13 VAL A 130 11.517 4.735 -9.786 1.00 0.47 H new ATOM 0 HG21 VAL A 130 10.876 4.236 -6.813 1.00 0.44 H new ATOM 0 HG22 VAL A 130 9.635 4.459 -8.069 1.00 0.44 H new ATOM 0 HG23 VAL A 130 9.618 3.001 -7.050 1.00 0.44 H new ATOM 2081 N SER A 131 9.754 -0.090 -9.763 1.00 0.34 N ATOM 2082 CA SER A 131 9.205 -1.359 -9.304 1.00 0.40 C ATOM 2083 C SER A 131 9.910 -2.527 -9.999 1.00 0.39 C ATOM 2084 O SER A 131 10.729 -2.321 -10.902 1.00 0.47 O ATOM 2085 CB SER A 131 7.697 -1.405 -9.586 1.00 0.50 C ATOM 2086 OG SER A 131 7.074 -0.166 -9.267 1.00 0.88 O ATOM 0 H SER A 131 10.175 -0.126 -10.691 1.00 0.34 H new ATOM 0 HA SER A 131 9.369 -1.447 -8.230 1.00 0.40 H new ATOM 0 HB2 SER A 131 7.528 -1.640 -10.637 1.00 0.50 H new ATOM 0 HB3 SER A 131 7.240 -2.205 -9.004 1.00 0.50 H new ATOM 0 HG SER A 131 7.274 0.491 -9.966 1.00 0.88 H new ATOM 2092 N SER A 132 9.607 -3.748 -9.570 1.00 0.48 N ATOM 2093 CA SER A 132 10.203 -4.937 -10.164 1.00 0.54 C ATOM 2094 C SER A 132 9.241 -5.565 -11.167 1.00 0.49 C ATOM 2095 O SER A 132 8.343 -6.319 -10.794 1.00 0.96 O ATOM 2096 CB SER A 132 10.582 -5.953 -9.077 1.00 0.76 C ATOM 2097 OG SER A 132 11.525 -5.409 -8.163 1.00 1.03 O ATOM 0 H SER A 132 8.951 -3.939 -8.812 1.00 0.48 H new ATOM 0 HA SER A 132 11.112 -4.642 -10.689 1.00 0.54 H new ATOM 0 HB2 SER A 132 9.687 -6.261 -8.537 1.00 0.76 H new ATOM 0 HB3 SER A 132 10.998 -6.847 -9.542 1.00 0.76 H new ATOM 0 HG SER A 132 11.422 -4.435 -8.127 1.00 1.03 H new ATOM 2103 N ASP A 133 9.418 -5.222 -12.439 1.00 0.56 N ATOM 2104 CA ASP A 133 8.572 -5.756 -13.503 1.00 0.58 C ATOM 2105 C ASP A 133 8.954 -7.200 -13.808 1.00 0.63 C ATOM 2106 O ASP A 133 10.140 -7.447 -14.113 1.00 0.80 O ATOM 2107 CB ASP A 133 8.697 -4.909 -14.772 1.00 0.80 C ATOM 2108 CG ASP A 133 7.912 -5.483 -15.936 1.00 0.92 C ATOM 2109 OD1 ASP A 133 6.705 -5.189 -16.043 1.00 1.06 O ATOM 2110 OD2 ASP A 133 8.502 -6.211 -16.759 1.00 1.07 O ATOM 2111 OXT ASP A 133 8.078 -8.084 -13.730 1.00 0.75 O ATOM 0 H ASP A 133 10.140 -4.576 -12.759 1.00 0.56 H new ATOM 0 HA ASP A 133 7.537 -5.724 -13.162 1.00 0.58 H new ATOM 0 HB2 ASP A 133 8.346 -3.898 -14.565 1.00 0.80 H new ATOM 0 HB3 ASP A 133 9.748 -4.831 -15.050 1.00 0.80 H new TER 2116 ASP A 133 HETATM 2117 C1 IHP A 134 -16.308 4.108 4.006 1.00 3.43 C HETATM 2118 C2 IHP A 134 -16.276 3.817 2.497 1.00 3.47 C HETATM 2119 C3 IHP A 134 -16.914 4.999 1.724 1.00 3.73 C HETATM 2120 C4 IHP A 134 -16.105 6.269 2.001 1.00 3.79 C HETATM 2121 C5 IHP A 134 -16.102 6.577 3.502 1.00 3.74 C HETATM 2122 C6 IHP A 134 -15.516 5.396 4.288 1.00 3.46 C HETATM 2123 O11 IHP A 134 -15.719 3.024 4.737 1.00 3.86 O HETATM 2124 P1 IHP A 134 -16.577 2.246 5.872 1.00 4.66 P HETATM 2125 O21 IHP A 134 -17.860 1.691 5.379 1.00 4.95 O HETATM 2126 O31 IHP A 134 -16.822 3.319 7.037 1.00 4.87 O HETATM 2127 O41 IHP A 134 -15.636 1.100 6.489 1.00 5.52 O HETATM 2128 O12 IHP A 134 -14.950 3.621 2.044 1.00 3.50 O HETATM 2129 P2 IHP A 134 -14.499 2.225 1.378 1.00 4.17 P HETATM 2130 O22 IHP A 134 -13.431 1.605 2.203 1.00 4.60 O HETATM 2131 O32 IHP A 134 -15.807 1.295 1.314 1.00 4.76 O HETATM 2132 O42 IHP A 134 -14.004 2.578 -0.098 1.00 4.45 O HETATM 2133 O13 IHP A 134 -16.888 4.735 0.323 1.00 4.32 O HETATM 2134 P3 IHP A 134 -18.255 4.708 -0.528 1.00 5.22 P HETATM 2135 O23 IHP A 134 -19.152 5.786 -0.046 1.00 5.53 O HETATM 2136 O33 IHP A 134 -18.885 3.249 -0.291 1.00 5.46 O HETATM 2137 O43 IHP A 134 -17.889 4.901 -2.079 1.00 6.00 O HETATM 2138 O14 IHP A 134 -16.690 7.377 1.310 1.00 4.60 O HETATM 2139 P4 IHP A 134 -15.854 8.208 0.208 1.00 5.38 P HETATM 2140 O24 IHP A 134 -16.025 7.583 -1.125 1.00 5.62 O HETATM 2141 O34 IHP A 134 -14.331 8.149 0.714 1.00 5.44 O HETATM 2142 O44 IHP A 134 -16.357 9.731 0.230 1.00 6.32 O HETATM 2143 O15 IHP A 134 -15.321 7.739 3.756 1.00 4.36 O HETATM 2144 P5 IHP A 134 -15.955 9.042 4.448 1.00 5.27 P HETATM 2145 O25 IHP A 134 -17.088 9.534 3.639 1.00 5.62 O HETATM 2146 O35 IHP A 134 -16.436 8.596 5.923 1.00 5.32 O HETATM 2147 O45 IHP A 134 -14.787 10.135 4.567 1.00 6.16 O HETATM 2148 O16 IHP A 134 -15.529 5.702 5.687 1.00 4.02 O HETATM 2149 P6 IHP A 134 -14.166 5.777 6.535 1.00 4.66 P HETATM 2150 O26 IHP A 134 -14.418 6.108 7.964 1.00 5.55 O HETATM 2151 O36 IHP A 134 -13.321 6.927 5.796 1.00 4.84 O HETATM 2152 O46 IHP A 134 -13.406 4.378 6.378 1.00 4.67 O HETATM 0 H6 IHP A 134 -14.487 5.231 3.968 1.00 3.46 H new HETATM 0 H5 IHP A 134 -17.130 6.747 3.822 1.00 3.74 H new HETATM 0 H4 IHP A 134 -15.083 6.110 1.656 1.00 3.79 H new HETATM 0 H3 IHP A 134 -17.946 5.126 2.050 1.00 3.73 H new HETATM 0 H2 IHP A 134 -16.842 2.904 2.314 1.00 3.47 H new HETATM 0 H1 IHP A 134 -17.344 4.226 4.322 1.00 3.43 H new