USER MOD reduce.3.24.130724 H: found=0, std=0, add=592, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 592 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: B 111 LYS NZ :NH3+ 164:sc= 1.25 (180deg=-0.00696) USER MOD Set 1.2: B 126 THR OG1 : rot 76:sc= 2.13 USER MOD Set 2.1: B 120 HIS : +bothHN:sc= 1.19 K(o=1.8,f=-11!) USER MOD Set 2.2: B 123 GLN : amide:sc= 0.611 K(o=1.8,f=0.12) USER MOD Set 3.1: A 120 HIS : +bothHN:sc= 0.71 K(o=1.4,f=-11!) USER MOD Set 3.2: A 123 GLN : amide:sc= 0.644 K(o=1.4,f=-0.45) USER MOD Set 4.1: A 111 LYS NZ :NH3+ 174:sc= 1.28 (180deg=0) USER MOD Set 4.2: A 126 THR OG1 : rot 76:sc= 2.19 USER MOD Single : A 101 ASN :FLIP amide:sc= -0.0325 F(o=-1.4!,f=-0.032) USER MOD Single : A 102 LYS NZ :NH3+ -131:sc= 1.22 (180deg=-0.699) USER MOD Single : A 103 TYR OH : rot 153:sc= -1.67 USER MOD Single : A 108 MET CE :methyl 137:sc= -0.52 (180deg=-2.08) USER MOD Single : A 113 SER OG : rot 86:sc= 0.589 USER MOD Single : A 117 SER OG : rot 180:sc= 0 USER MOD Single : A 119 THR OG1 : rot 180:sc= 0 USER MOD Single : A 122 MET CE :methyl 160:sc= -8.17! (180deg=-8.58!) USER MOD Single : A 131 LYS NZ :NH3+ -133:sc= 2.28 (180deg=-0.0996) USER MOD Single : A 133 GLN : amide:sc= -0.0338 K(o=-0.034,f=-0.55) USER MOD Single : A 134 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 101 ASN :FLIP amide:sc= -0.0309 F(o=-1.3!,f=-0.031) USER MOD Single : B 102 LYS NZ :NH3+ -128:sc= 1.21 (180deg=-0.676) USER MOD Single : B 103 TYR OH : rot 150:sc= -1.72 USER MOD Single : B 108 MET CE :methyl 137:sc= -0.543 (180deg=-2.06!) USER MOD Single : B 113 SER OG : rot 87:sc= 0.635 USER MOD Single : B 117 SER OG : rot 180:sc= 0 USER MOD Single : B 119 THR OG1 : rot 180:sc= 0 USER MOD Single : B 122 MET CE :methyl 162:sc= -8.12! (180deg=-8.58!) USER MOD Single : B 131 LYS NZ :NH3+ -139:sc= 2.42 (180deg=0.142) USER MOD Single : B 133 GLN : amide:sc= -0.0169 K(o=-0.017,f=-0.56) USER MOD Single : B 134 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 99 -13.677 6.085 -6.255 1.00 4.97 N ATOM 2 CA PRO A 99 -14.436 6.774 -5.206 1.00 4.83 C ATOM 3 C PRO A 99 -14.092 6.246 -3.821 1.00 4.33 C ATOM 4 O PRO A 99 -14.145 5.041 -3.577 1.00 4.07 O ATOM 5 CB PRO A 99 -15.893 6.450 -5.553 1.00 5.14 C ATOM 6 CG PRO A 99 -15.820 5.161 -6.291 1.00 5.27 C ATOM 7 CD PRO A 99 -14.536 5.214 -7.070 1.00 5.29 C ATOM 0 HA PRO A 99 -14.221 7.842 -5.173 1.00 4.83 H new ATOM 0 HB2 PRO A 99 -16.505 6.360 -4.655 1.00 5.14 H new ATOM 0 HB3 PRO A 99 -16.339 7.234 -6.165 1.00 5.14 H new ATOM 0 HG2 PRO A 99 -15.827 4.315 -5.604 1.00 5.27 H new ATOM 0 HG3 PRO A 99 -16.676 5.040 -6.954 1.00 5.27 H new ATOM 0 HD2 PRO A 99 -14.100 4.223 -7.194 1.00 5.29 H new ATOM 0 HD3 PRO A 99 -14.689 5.622 -8.069 1.00 5.29 H new ATOM 15 N GLU A 100 -13.761 7.161 -2.917 1.00 4.31 N ATOM 16 CA GLU A 100 -13.284 6.802 -1.583 1.00 4.02 C ATOM 17 C GLU A 100 -14.324 6.010 -0.793 1.00 3.83 C ATOM 18 O GLU A 100 -13.969 5.178 0.044 1.00 3.64 O ATOM 19 CB GLU A 100 -12.854 8.047 -0.802 1.00 4.28 C ATOM 20 CG GLU A 100 -11.588 8.694 -1.350 1.00 4.51 C ATOM 21 CD GLU A 100 -11.079 9.836 -0.487 1.00 4.77 C ATOM 22 OE1 GLU A 100 -10.224 9.590 0.395 1.00 4.99 O ATOM 23 OE2 GLU A 100 -11.518 10.986 -0.693 1.00 5.13 O ATOM 0 H GLU A 100 -13.814 8.166 -3.084 1.00 4.31 H new ATOM 0 HA GLU A 100 -12.416 6.157 -1.720 1.00 4.02 H new ATOM 0 HB2 GLU A 100 -13.664 8.776 -0.820 1.00 4.28 H new ATOM 0 HB3 GLU A 100 -12.693 7.775 0.241 1.00 4.28 H new ATOM 0 HG2 GLU A 100 -10.809 7.937 -1.436 1.00 4.51 H new ATOM 0 HG3 GLU A 100 -11.784 9.066 -2.356 1.00 4.51 H new ATOM 30 N ASN A 101 -15.602 6.264 -1.062 1.00 4.05 N ATOM 31 CA ASN A 101 -16.674 5.541 -0.378 1.00 4.10 C ATOM 32 C ASN A 101 -16.621 4.044 -0.697 1.00 3.98 C ATOM 33 O ASN A 101 -16.928 3.205 0.153 1.00 4.07 O ATOM 34 CB ASN A 101 -18.045 6.108 -0.750 1.00 4.55 C ATOM 35 CG ASN A 101 -19.148 5.608 0.169 1.00 4.76 C ATOM 36 OD1 ASN A 101 -18.825 5.418 1.442 1.00 5.19 O flip ATOM 37 ND2 ASN A 101 -20.284 5.413 -0.256 1.00 4.68 N flip ATOM 0 H ASN A 101 -15.920 6.956 -1.740 1.00 4.05 H new ATOM 0 HA ASN A 101 -16.524 5.672 0.694 1.00 4.10 H new ATOM 0 HB2 ASN A 101 -18.008 7.197 -0.710 1.00 4.55 H new ATOM 0 HB3 ASN A 101 -18.281 5.835 -1.778 1.00 4.55 H new ATOM 0 HD21 ASN A 101 -20.494 5.570 -1.242 1.00 4.68 H new ATOM 0 HD22 ASN A 101 -21.017 5.094 0.377 1.00 4.68 H new ATOM 44 N LYS A 102 -16.234 3.716 -1.922 1.00 3.93 N ATOM 45 CA LYS A 102 -16.033 2.337 -2.346 1.00 3.87 C ATOM 46 C LYS A 102 -14.623 1.870 -2.016 1.00 3.43 C ATOM 47 O LYS A 102 -14.402 0.728 -1.631 1.00 3.32 O ATOM 48 CB LYS A 102 -16.261 2.261 -3.850 1.00 4.20 C ATOM 49 CG LYS A 102 -15.992 0.899 -4.442 1.00 4.62 C ATOM 50 CD LYS A 102 -16.275 0.897 -5.925 1.00 5.18 C ATOM 51 CE LYS A 102 -16.071 -0.476 -6.516 1.00 5.68 C ATOM 52 NZ LYS A 102 -14.630 -0.833 -6.649 1.00 6.27 N ATOM 0 H LYS A 102 -16.050 4.403 -2.653 1.00 3.93 H new ATOM 0 HA LYS A 102 -16.734 1.690 -1.820 1.00 3.87 H new ATOM 0 HB2 LYS A 102 -17.292 2.543 -4.066 1.00 4.20 H new ATOM 0 HB3 LYS A 102 -15.621 2.993 -4.342 1.00 4.20 H new ATOM 0 HG2 LYS A 102 -14.954 0.618 -4.264 1.00 4.62 H new ATOM 0 HG3 LYS A 102 -16.613 0.153 -3.947 1.00 4.62 H new ATOM 0 HD2 LYS A 102 -17.299 1.224 -6.103 1.00 5.18 H new ATOM 0 HD3 LYS A 102 -15.621 1.612 -6.424 1.00 5.18 H new ATOM 0 HE2 LYS A 102 -16.569 -1.215 -5.889 1.00 5.68 H new ATOM 0 HE3 LYS A 102 -16.545 -0.520 -7.497 1.00 5.68 H new ATOM 0 HZ1 LYS A 102 -14.448 -1.192 -7.608 1.00 6.27 H new ATOM 0 HZ2 LYS A 102 -14.046 0.011 -6.479 1.00 6.27 H new ATOM 0 HZ3 LYS A 102 -14.389 -1.567 -5.953 1.00 6.27 H new ATOM 66 N TYR A 103 -13.686 2.775 -2.189 1.00 3.24 N ATOM 67 CA TYR A 103 -12.269 2.524 -2.005 1.00 2.85 C ATOM 68 C TYR A 103 -11.941 2.063 -0.581 1.00 2.57 C ATOM 69 O TYR A 103 -11.087 1.199 -0.390 1.00 2.28 O ATOM 70 CB TYR A 103 -11.559 3.833 -2.337 1.00 2.82 C ATOM 71 CG TYR A 103 -10.062 3.856 -2.206 1.00 2.56 C ATOM 72 CD1 TYR A 103 -9.254 3.011 -2.944 1.00 2.69 C ATOM 73 CD2 TYR A 103 -9.457 4.782 -1.372 1.00 2.76 C ATOM 74 CE1 TYR A 103 -7.878 3.085 -2.851 1.00 2.58 C ATOM 75 CE2 TYR A 103 -8.090 4.860 -1.262 1.00 2.65 C ATOM 76 CZ TYR A 103 -7.300 4.009 -2.008 1.00 2.31 C ATOM 77 OH TYR A 103 -5.930 4.092 -1.930 1.00 2.31 O ATOM 0 H TYR A 103 -13.892 3.734 -2.470 1.00 3.24 H new ATOM 0 HA TYR A 103 -11.939 1.713 -2.654 1.00 2.85 H new ATOM 0 HB2 TYR A 103 -11.812 4.104 -3.362 1.00 2.82 H new ATOM 0 HB3 TYR A 103 -11.966 4.611 -1.692 1.00 2.82 H new ATOM 0 HD1 TYR A 103 -9.705 2.283 -3.602 1.00 2.69 H new ATOM 0 HD2 TYR A 103 -10.073 5.457 -0.796 1.00 2.76 H new ATOM 0 HE1 TYR A 103 -7.258 2.422 -3.436 1.00 2.58 H new ATOM 0 HE2 TYR A 103 -7.637 5.581 -0.597 1.00 2.65 H new ATOM 0 HH TYR A 103 -5.672 5.001 -1.670 1.00 2.31 H new ATOM 87 N LEU A 104 -12.633 2.622 0.411 1.00 2.70 N ATOM 88 CA LEU A 104 -12.340 2.347 1.818 1.00 2.55 C ATOM 89 C LEU A 104 -12.569 0.874 2.193 1.00 2.53 C ATOM 90 O LEU A 104 -11.659 0.229 2.716 1.00 2.25 O ATOM 91 CB LEU A 104 -13.178 3.264 2.716 1.00 2.85 C ATOM 92 CG LEU A 104 -13.029 3.031 4.220 1.00 2.83 C ATOM 93 CD1 LEU A 104 -11.577 3.184 4.642 1.00 2.46 C ATOM 94 CD2 LEU A 104 -13.916 3.999 4.992 1.00 3.18 C ATOM 0 H LEU A 104 -13.405 3.272 0.265 1.00 2.70 H new ATOM 0 HA LEU A 104 -11.281 2.551 1.974 1.00 2.55 H new ATOM 0 HB2 LEU A 104 -12.911 4.298 2.498 1.00 2.85 H new ATOM 0 HB3 LEU A 104 -14.228 3.143 2.450 1.00 2.85 H new ATOM 0 HG LEU A 104 -13.345 2.013 4.448 1.00 2.83 H new ATOM 0 HD11 LEU A 104 -11.490 3.015 5.715 1.00 2.46 H new ATOM 0 HD12 LEU A 104 -10.965 2.456 4.109 1.00 2.46 H new ATOM 0 HD13 LEU A 104 -11.233 4.191 4.405 1.00 2.46 H new ATOM 0 HD21 LEU A 104 -13.801 3.823 6.062 1.00 3.18 H new ATOM 0 HD22 LEU A 104 -13.625 5.023 4.759 1.00 3.18 H new ATOM 0 HD23 LEU A 104 -14.957 3.844 4.708 1.00 3.18 H new ATOM 106 N PRO A 105 -13.773 0.310 1.955 1.00 2.88 N ATOM 107 CA PRO A 105 -14.058 -1.092 2.295 1.00 2.95 C ATOM 108 C PRO A 105 -13.143 -2.056 1.545 1.00 2.65 C ATOM 109 O PRO A 105 -12.805 -3.129 2.040 1.00 2.62 O ATOM 110 CB PRO A 105 -15.516 -1.282 1.861 1.00 3.43 C ATOM 111 CG PRO A 105 -15.729 -0.211 0.848 1.00 3.51 C ATOM 112 CD PRO A 105 -14.952 0.960 1.356 1.00 3.28 C ATOM 0 HA PRO A 105 -13.892 -1.300 3.352 1.00 2.95 H new ATOM 0 HB2 PRO A 105 -15.681 -2.272 1.437 1.00 3.43 H new ATOM 0 HB3 PRO A 105 -16.201 -1.178 2.703 1.00 3.43 H new ATOM 0 HG2 PRO A 105 -15.377 -0.522 -0.136 1.00 3.51 H new ATOM 0 HG3 PRO A 105 -16.787 0.031 0.746 1.00 3.51 H new ATOM 0 HD2 PRO A 105 -14.677 1.645 0.554 1.00 3.28 H new ATOM 0 HD3 PRO A 105 -15.516 1.537 2.089 1.00 3.28 H new ATOM 120 N GLU A 106 -12.751 -1.670 0.346 1.00 2.53 N ATOM 121 CA GLU A 106 -11.803 -2.449 -0.423 1.00 2.35 C ATOM 122 C GLU A 106 -10.468 -2.512 0.303 1.00 1.89 C ATOM 123 O GLU A 106 -9.840 -3.567 0.389 1.00 1.84 O ATOM 124 CB GLU A 106 -11.615 -1.824 -1.797 1.00 2.43 C ATOM 125 CG GLU A 106 -12.918 -1.676 -2.568 1.00 2.88 C ATOM 126 CD GLU A 106 -12.704 -1.424 -4.043 1.00 3.32 C ATOM 127 OE1 GLU A 106 -13.184 -2.237 -4.860 1.00 3.62 O ATOM 128 OE2 GLU A 106 -12.052 -0.420 -4.396 1.00 3.70 O ATOM 0 H GLU A 106 -13.075 -0.820 -0.116 1.00 2.53 H new ATOM 0 HA GLU A 106 -12.190 -3.461 -0.540 1.00 2.35 H new ATOM 0 HB2 GLU A 106 -11.153 -0.843 -1.683 1.00 2.43 H new ATOM 0 HB3 GLU A 106 -10.924 -2.436 -2.377 1.00 2.43 H new ATOM 0 HG2 GLU A 106 -13.514 -2.580 -2.442 1.00 2.88 H new ATOM 0 HG3 GLU A 106 -13.494 -0.853 -2.144 1.00 2.88 H new ATOM 135 N LEU A 107 -10.061 -1.372 0.845 1.00 1.63 N ATOM 136 CA LEU A 107 -8.802 -1.278 1.561 1.00 1.23 C ATOM 137 C LEU A 107 -8.811 -2.170 2.796 1.00 1.08 C ATOM 138 O LEU A 107 -7.859 -2.894 3.049 1.00 0.96 O ATOM 139 CB LEU A 107 -8.530 0.159 1.999 1.00 1.21 C ATOM 140 CG LEU A 107 -8.334 1.162 0.873 1.00 1.32 C ATOM 141 CD1 LEU A 107 -8.409 2.573 1.422 1.00 1.42 C ATOM 142 CD2 LEU A 107 -6.998 0.932 0.186 1.00 1.20 C ATOM 0 H LEU A 107 -10.588 -0.500 0.801 1.00 1.63 H new ATOM 0 HA LEU A 107 -8.018 -1.606 0.879 1.00 1.23 H new ATOM 0 HB2 LEU A 107 -9.361 0.494 2.620 1.00 1.21 H new ATOM 0 HB3 LEU A 107 -7.639 0.166 2.627 1.00 1.21 H new ATOM 0 HG LEU A 107 -9.127 1.026 0.137 1.00 1.32 H new ATOM 0 HD11 LEU A 107 -8.268 3.287 0.611 1.00 1.42 H new ATOM 0 HD12 LEU A 107 -9.385 2.733 1.881 1.00 1.42 H new ATOM 0 HD13 LEU A 107 -7.629 2.714 2.170 1.00 1.42 H new ATOM 0 HD21 LEU A 107 -6.872 1.658 -0.618 1.00 1.20 H new ATOM 0 HD22 LEU A 107 -6.192 1.049 0.910 1.00 1.20 H new ATOM 0 HD23 LEU A 107 -6.970 -0.076 -0.228 1.00 1.20 H new ATOM 154 N MET A 108 -9.906 -2.122 3.550 1.00 1.27 N ATOM 155 CA MET A 108 -10.021 -2.914 4.776 1.00 1.26 C ATOM 156 C MET A 108 -10.007 -4.409 4.476 1.00 1.17 C ATOM 157 O MET A 108 -9.446 -5.188 5.243 1.00 1.13 O ATOM 158 CB MET A 108 -11.282 -2.540 5.575 1.00 1.64 C ATOM 159 CG MET A 108 -12.598 -2.930 4.932 1.00 1.96 C ATOM 160 SD MET A 108 -14.025 -2.463 5.930 1.00 2.39 S ATOM 161 CE MET A 108 -13.831 -0.682 5.996 1.00 2.67 C ATOM 0 H MET A 108 -10.722 -1.548 3.338 1.00 1.27 H new ATOM 0 HA MET A 108 -9.150 -2.680 5.389 1.00 1.26 H new ATOM 0 HB2 MET A 108 -11.223 -3.011 6.556 1.00 1.64 H new ATOM 0 HB3 MET A 108 -11.282 -1.462 5.738 1.00 1.64 H new ATOM 0 HG2 MET A 108 -12.674 -2.457 3.953 1.00 1.96 H new ATOM 0 HG3 MET A 108 -12.612 -4.007 4.767 1.00 1.96 H new ATOM 0 HE1 MET A 108 -14.799 -0.205 5.846 1.00 2.67 H new ATOM 0 HE2 MET A 108 -13.432 -0.395 6.969 1.00 2.67 H new ATOM 0 HE3 MET A 108 -13.144 -0.362 5.213 1.00 2.67 H new ATOM 171 N ALA A 109 -10.610 -4.806 3.360 1.00 1.27 N ATOM 172 CA ALA A 109 -10.640 -6.214 2.980 1.00 1.30 C ATOM 173 C ALA A 109 -9.247 -6.700 2.576 1.00 0.99 C ATOM 174 O ALA A 109 -8.802 -7.761 3.013 1.00 1.01 O ATOM 175 CB ALA A 109 -11.645 -6.448 1.863 1.00 1.60 C ATOM 0 H ALA A 109 -11.081 -4.179 2.708 1.00 1.27 H new ATOM 0 HA ALA A 109 -10.957 -6.794 3.847 1.00 1.30 H new ATOM 0 HB1 ALA A 109 -11.651 -7.504 1.595 1.00 1.60 H new ATOM 0 HB2 ALA A 109 -12.639 -6.153 2.200 1.00 1.60 H new ATOM 0 HB3 ALA A 109 -11.366 -5.854 0.992 1.00 1.60 H new ATOM 181 N GLU A 110 -8.564 -5.913 1.752 1.00 0.80 N ATOM 182 CA GLU A 110 -7.196 -6.247 1.356 1.00 0.62 C ATOM 183 C GLU A 110 -6.282 -6.196 2.580 1.00 0.45 C ATOM 184 O GLU A 110 -5.433 -7.053 2.782 1.00 0.55 O ATOM 185 CB GLU A 110 -6.690 -5.276 0.288 1.00 0.56 C ATOM 186 CG GLU A 110 -7.421 -5.383 -1.041 1.00 0.60 C ATOM 187 CD GLU A 110 -6.863 -4.435 -2.086 1.00 0.83 C ATOM 188 OE1 GLU A 110 -7.655 -3.853 -2.859 1.00 1.49 O ATOM 189 OE2 GLU A 110 -5.632 -4.264 -2.138 1.00 1.48 O ATOM 0 H GLU A 110 -8.927 -5.050 1.348 1.00 0.80 H new ATOM 0 HA GLU A 110 -7.189 -7.253 0.937 1.00 0.62 H new ATOM 0 HB2 GLU A 110 -6.786 -4.257 0.663 1.00 0.56 H new ATOM 0 HB3 GLU A 110 -5.628 -5.456 0.122 1.00 0.56 H new ATOM 0 HG2 GLU A 110 -7.352 -6.407 -1.409 1.00 0.60 H new ATOM 0 HG3 GLU A 110 -8.479 -5.170 -0.889 1.00 0.60 H new ATOM 196 N LYS A 111 -6.503 -5.173 3.384 1.00 0.41 N ATOM 197 CA LYS A 111 -5.725 -5.018 4.608 1.00 0.46 C ATOM 198 C LYS A 111 -5.903 -6.226 5.534 1.00 0.47 C ATOM 199 O LYS A 111 -4.931 -6.756 6.066 1.00 0.52 O ATOM 200 CB LYS A 111 -6.108 -3.726 5.333 1.00 0.63 C ATOM 201 CG LYS A 111 -5.661 -3.675 6.786 1.00 0.79 C ATOM 202 CD LYS A 111 -6.064 -2.366 7.442 1.00 0.89 C ATOM 203 CE LYS A 111 -5.885 -2.396 8.952 1.00 1.15 C ATOM 204 NZ LYS A 111 -4.469 -2.604 9.354 1.00 1.89 N ATOM 0 H LYS A 111 -7.200 -4.447 3.220 1.00 0.41 H new ATOM 0 HA LYS A 111 -4.673 -4.959 4.329 1.00 0.46 H new ATOM 0 HB2 LYS A 111 -5.673 -2.880 4.800 1.00 0.63 H new ATOM 0 HB3 LYS A 111 -7.191 -3.606 5.292 1.00 0.63 H new ATOM 0 HG2 LYS A 111 -6.101 -4.509 7.333 1.00 0.79 H new ATOM 0 HG3 LYS A 111 -4.579 -3.793 6.840 1.00 0.79 H new ATOM 0 HD2 LYS A 111 -5.468 -1.555 7.024 1.00 0.89 H new ATOM 0 HD3 LYS A 111 -7.106 -2.150 7.206 1.00 0.89 H new ATOM 0 HE2 LYS A 111 -6.246 -1.459 9.376 1.00 1.15 H new ATOM 0 HE3 LYS A 111 -6.499 -3.193 9.372 1.00 1.15 H new ATOM 0 HZ1 LYS A 111 -4.385 -2.515 10.387 1.00 1.89 H new ATOM 0 HZ2 LYS A 111 -4.161 -3.553 9.062 1.00 1.89 H new ATOM 0 HZ3 LYS A 111 -3.869 -1.889 8.895 1.00 1.89 H new ATOM 218 N ASP A 112 -7.139 -6.659 5.715 1.00 0.49 N ATOM 219 CA ASP A 112 -7.438 -7.783 6.603 1.00 0.58 C ATOM 220 C ASP A 112 -6.947 -9.112 6.018 1.00 0.53 C ATOM 221 O ASP A 112 -6.678 -10.059 6.753 1.00 0.63 O ATOM 222 CB ASP A 112 -8.946 -7.852 6.864 1.00 0.72 C ATOM 223 CG ASP A 112 -9.329 -8.888 7.905 1.00 2.65 C ATOM 224 OD1 ASP A 112 -9.773 -9.994 7.525 1.00 3.03 O ATOM 225 OD2 ASP A 112 -9.216 -8.589 9.113 1.00 3.08 O ATOM 0 H ASP A 112 -7.957 -6.252 5.261 1.00 0.49 H new ATOM 0 HA ASP A 112 -6.910 -7.618 7.542 1.00 0.58 H new ATOM 0 HB2 ASP A 112 -9.296 -6.873 7.190 1.00 0.72 H new ATOM 0 HB3 ASP A 112 -9.459 -8.079 5.930 1.00 0.72 H new ATOM 230 N SER A 113 -6.811 -9.173 4.698 1.00 0.44 N ATOM 231 CA SER A 113 -6.459 -10.422 4.025 1.00 0.43 C ATOM 232 C SER A 113 -4.982 -10.481 3.622 1.00 0.35 C ATOM 233 O SER A 113 -4.471 -11.544 3.259 1.00 0.40 O ATOM 234 CB SER A 113 -7.336 -10.600 2.785 1.00 0.44 C ATOM 235 OG SER A 113 -8.712 -10.632 3.129 1.00 0.55 O ATOM 0 H SER A 113 -6.938 -8.377 4.073 1.00 0.44 H new ATOM 0 HA SER A 113 -6.632 -11.231 4.735 1.00 0.43 H new ATOM 0 HB2 SER A 113 -7.152 -9.784 2.086 1.00 0.44 H new ATOM 0 HB3 SER A 113 -7.065 -11.524 2.274 1.00 0.44 H new ATOM 0 HG SER A 113 -9.060 -9.717 3.173 1.00 0.55 H new ATOM 241 N LEU A 114 -4.301 -9.348 3.680 1.00 0.27 N ATOM 242 CA LEU A 114 -2.918 -9.265 3.231 1.00 0.23 C ATOM 243 C LEU A 114 -1.980 -9.854 4.277 1.00 0.27 C ATOM 244 O LEU A 114 -2.215 -9.723 5.480 1.00 0.31 O ATOM 245 CB LEU A 114 -2.549 -7.811 2.956 1.00 0.17 C ATOM 246 CG LEU A 114 -1.319 -7.596 2.068 1.00 0.14 C ATOM 247 CD1 LEU A 114 -1.665 -7.810 0.602 1.00 0.14 C ATOM 248 CD2 LEU A 114 -0.750 -6.209 2.274 1.00 0.16 C ATOM 0 H LEU A 114 -4.683 -8.471 4.034 1.00 0.27 H new ATOM 0 HA LEU A 114 -2.814 -9.841 2.311 1.00 0.23 H new ATOM 0 HB2 LEU A 114 -3.403 -7.321 2.488 1.00 0.17 H new ATOM 0 HB3 LEU A 114 -2.378 -7.312 3.910 1.00 0.17 H new ATOM 0 HG LEU A 114 -0.565 -8.329 2.354 1.00 0.14 H new ATOM 0 HD11 LEU A 114 -0.776 -7.652 -0.009 1.00 0.14 H new ATOM 0 HD12 LEU A 114 -2.027 -8.828 0.459 1.00 0.14 H new ATOM 0 HD13 LEU A 114 -2.440 -7.104 0.304 1.00 0.14 H new ATOM 0 HD21 LEU A 114 0.123 -6.075 1.635 1.00 0.16 H new ATOM 0 HD22 LEU A 114 -1.504 -5.465 2.019 1.00 0.16 H new ATOM 0 HD23 LEU A 114 -0.458 -6.087 3.317 1.00 0.16 H new ATOM 260 N ASP A 115 -0.929 -10.511 3.808 1.00 0.29 N ATOM 261 CA ASP A 115 0.045 -11.143 4.688 1.00 0.34 C ATOM 262 C ASP A 115 0.898 -10.090 5.386 1.00 0.33 C ATOM 263 O ASP A 115 1.435 -9.183 4.743 1.00 0.29 O ATOM 264 CB ASP A 115 0.940 -12.096 3.895 1.00 0.37 C ATOM 265 CG ASP A 115 1.743 -13.015 4.792 1.00 0.49 C ATOM 266 OD1 ASP A 115 1.349 -14.191 4.940 1.00 1.23 O ATOM 267 OD2 ASP A 115 2.769 -12.576 5.349 1.00 1.21 O ATOM 0 H ASP A 115 -0.728 -10.621 2.814 1.00 0.29 H new ATOM 0 HA ASP A 115 -0.496 -11.713 5.443 1.00 0.34 H new ATOM 0 HB2 ASP A 115 0.324 -12.695 3.224 1.00 0.37 H new ATOM 0 HB3 ASP A 115 1.620 -11.516 3.271 1.00 0.37 H new ATOM 272 N PRO A 116 1.039 -10.206 6.718 1.00 0.41 N ATOM 273 CA PRO A 116 1.760 -9.228 7.541 1.00 0.46 C ATOM 274 C PRO A 116 3.248 -9.135 7.209 1.00 0.42 C ATOM 275 O PRO A 116 3.906 -8.170 7.595 1.00 0.47 O ATOM 276 CB PRO A 116 1.566 -9.738 8.970 1.00 0.55 C ATOM 277 CG PRO A 116 1.275 -11.188 8.815 1.00 0.55 C ATOM 278 CD PRO A 116 0.500 -11.307 7.535 1.00 0.50 C ATOM 0 HA PRO A 116 1.378 -8.221 7.374 1.00 0.46 H new ATOM 0 HB2 PRO A 116 2.459 -9.575 9.574 1.00 0.55 H new ATOM 0 HB3 PRO A 116 0.746 -9.220 9.468 1.00 0.55 H new ATOM 0 HG2 PRO A 116 2.195 -11.771 8.772 1.00 0.55 H new ATOM 0 HG3 PRO A 116 0.698 -11.565 9.660 1.00 0.55 H new ATOM 0 HD2 PRO A 116 0.653 -12.275 7.059 1.00 0.50 H new ATOM 0 HD3 PRO A 116 -0.572 -11.199 7.701 1.00 0.50 H new ATOM 286 N SER A 117 3.775 -10.136 6.502 1.00 0.36 N ATOM 287 CA SER A 117 5.185 -10.145 6.127 1.00 0.37 C ATOM 288 C SER A 117 5.503 -8.961 5.215 1.00 0.38 C ATOM 289 O SER A 117 6.655 -8.546 5.099 1.00 0.56 O ATOM 290 CB SER A 117 5.555 -11.462 5.436 1.00 0.37 C ATOM 291 OG SER A 117 6.956 -11.561 5.225 1.00 1.30 O ATOM 0 H SER A 117 3.247 -10.947 6.180 1.00 0.36 H new ATOM 0 HA SER A 117 5.779 -10.055 7.036 1.00 0.37 H new ATOM 0 HB2 SER A 117 5.217 -12.301 6.044 1.00 0.37 H new ATOM 0 HB3 SER A 117 5.036 -11.531 4.480 1.00 0.37 H new ATOM 0 HG SER A 117 7.161 -12.412 4.784 1.00 1.30 H new ATOM 297 N PHE A 118 4.473 -8.419 4.581 1.00 0.28 N ATOM 298 CA PHE A 118 4.626 -7.235 3.755 1.00 0.32 C ATOM 299 C PHE A 118 4.323 -6.004 4.590 1.00 0.44 C ATOM 300 O PHE A 118 3.207 -5.485 4.576 1.00 0.94 O ATOM 301 CB PHE A 118 3.700 -7.297 2.545 1.00 0.27 C ATOM 302 CG PHE A 118 3.897 -8.527 1.716 1.00 0.23 C ATOM 303 CD1 PHE A 118 4.682 -8.488 0.579 1.00 1.22 C ATOM 304 CD2 PHE A 118 3.290 -9.719 2.069 1.00 1.21 C ATOM 305 CE1 PHE A 118 4.865 -9.619 -0.187 1.00 1.21 C ATOM 306 CE2 PHE A 118 3.470 -10.852 1.311 1.00 1.23 C ATOM 307 CZ PHE A 118 4.257 -10.804 0.177 1.00 0.28 C ATOM 0 H PHE A 118 3.521 -8.783 4.624 1.00 0.28 H new ATOM 0 HA PHE A 118 5.651 -7.184 3.389 1.00 0.32 H new ATOM 0 HB2 PHE A 118 2.665 -7.257 2.885 1.00 0.27 H new ATOM 0 HB3 PHE A 118 3.865 -6.417 1.923 1.00 0.27 H new ATOM 0 HD1 PHE A 118 5.156 -7.562 0.288 1.00 1.22 H new ATOM 0 HD2 PHE A 118 2.667 -9.760 2.950 1.00 1.21 H new ATOM 0 HE1 PHE A 118 5.484 -9.578 -1.071 1.00 1.21 H new ATOM 0 HE2 PHE A 118 2.997 -11.778 1.602 1.00 1.23 H new ATOM 0 HZ PHE A 118 4.396 -11.691 -0.423 1.00 0.28 H new ATOM 317 N THR A 119 5.331 -5.555 5.322 1.00 0.39 N ATOM 318 CA THR A 119 5.178 -4.468 6.270 1.00 0.39 C ATOM 319 C THR A 119 4.663 -3.193 5.609 1.00 0.42 C ATOM 320 O THR A 119 3.667 -2.627 6.048 1.00 0.45 O ATOM 321 CB THR A 119 6.511 -4.176 6.980 1.00 0.44 C ATOM 322 OG1 THR A 119 6.955 -5.355 7.665 1.00 0.48 O ATOM 323 CG2 THR A 119 6.365 -3.027 7.970 1.00 0.45 C ATOM 0 H THR A 119 6.276 -5.935 5.274 1.00 0.39 H new ATOM 0 HA THR A 119 4.436 -4.791 7.001 1.00 0.39 H new ATOM 0 HB THR A 119 7.246 -3.885 6.230 1.00 0.44 H new ATOM 0 HG1 THR A 119 7.805 -5.171 8.116 1.00 0.48 H new ATOM 0 HG21 THR A 119 7.322 -2.843 8.457 1.00 0.45 H new ATOM 0 HG22 THR A 119 6.048 -2.128 7.440 1.00 0.45 H new ATOM 0 HG23 THR A 119 5.620 -3.287 8.722 1.00 0.45 H new ATOM 331 N HIS A 120 5.331 -2.748 4.558 1.00 0.44 N ATOM 332 CA HIS A 120 4.972 -1.494 3.917 1.00 0.51 C ATOM 333 C HIS A 120 3.644 -1.605 3.189 1.00 0.47 C ATOM 334 O HIS A 120 2.842 -0.677 3.219 1.00 0.57 O ATOM 335 CB HIS A 120 6.076 -1.030 2.977 1.00 0.60 C ATOM 336 CG HIS A 120 7.336 -0.696 3.699 1.00 0.92 C ATOM 337 ND1 HIS A 120 7.390 0.203 4.744 1.00 1.09 N ATOM 338 CD2 HIS A 120 8.590 -1.171 3.550 1.00 1.19 C ATOM 339 CE1 HIS A 120 8.623 0.260 5.203 1.00 1.40 C ATOM 340 NE2 HIS A 120 9.370 -0.562 4.498 1.00 1.47 N ATOM 0 H HIS A 120 6.121 -3.233 4.132 1.00 0.44 H new ATOM 0 HA HIS A 120 4.856 -0.742 4.698 1.00 0.51 H new ATOM 0 HB2 HIS A 120 6.277 -1.811 2.244 1.00 0.60 H new ATOM 0 HB3 HIS A 120 5.734 -0.155 2.424 1.00 0.60 H new ATOM 0 HD1 HIS A 120 6.600 0.739 5.104 1.00 1.09 H new ATOM 0 HD2 HIS A 120 8.918 -1.896 2.820 1.00 1.19 H new ATOM 0 HE1 HIS A 120 8.964 0.878 6.021 1.00 1.40 H new ATOM 0 HE2 HIS A 120 10.368 -0.720 4.635 1.00 1.47 H new ATOM 349 N ALA A 121 3.408 -2.737 2.543 1.00 0.37 N ATOM 350 CA ALA A 121 2.131 -2.989 1.887 1.00 0.34 C ATOM 351 C ALA A 121 0.995 -2.922 2.896 1.00 0.38 C ATOM 352 O ALA A 121 -0.060 -2.345 2.640 1.00 0.47 O ATOM 353 CB ALA A 121 2.153 -4.340 1.199 1.00 0.27 C ATOM 0 H ALA A 121 4.083 -3.497 2.458 1.00 0.37 H new ATOM 0 HA ALA A 121 1.967 -2.219 1.133 1.00 0.34 H new ATOM 0 HB1 ALA A 121 1.194 -4.516 0.713 1.00 0.27 H new ATOM 0 HB2 ALA A 121 2.947 -4.355 0.452 1.00 0.27 H new ATOM 0 HB3 ALA A 121 2.335 -5.121 1.937 1.00 0.27 H new ATOM 359 N MET A 122 1.246 -3.495 4.060 1.00 0.35 N ATOM 360 CA MET A 122 0.286 -3.491 5.153 1.00 0.34 C ATOM 361 C MET A 122 0.149 -2.094 5.751 1.00 0.39 C ATOM 362 O MET A 122 -0.949 -1.649 6.097 1.00 0.41 O ATOM 363 CB MET A 122 0.726 -4.495 6.221 1.00 0.37 C ATOM 364 CG MET A 122 0.410 -5.943 5.883 1.00 0.38 C ATOM 365 SD MET A 122 -1.220 -6.468 6.450 1.00 0.49 S ATOM 366 CE MET A 122 -2.290 -5.337 5.568 1.00 0.63 C ATOM 0 H MET A 122 2.119 -3.976 4.275 1.00 0.35 H new ATOM 0 HA MET A 122 -0.691 -3.783 4.768 1.00 0.34 H new ATOM 0 HB2 MET A 122 1.800 -4.396 6.376 1.00 0.37 H new ATOM 0 HB3 MET A 122 0.243 -4.240 7.164 1.00 0.37 H new ATOM 0 HG2 MET A 122 0.473 -6.079 4.803 1.00 0.38 H new ATOM 0 HG3 MET A 122 1.167 -6.587 6.330 1.00 0.38 H new ATOM 0 HE1 MET A 122 -3.299 -5.747 5.529 1.00 0.63 H new ATOM 0 HE2 MET A 122 -2.308 -4.377 6.083 1.00 0.63 H new ATOM 0 HE3 MET A 122 -1.916 -5.198 4.554 1.00 0.63 H new ATOM 376 N GLN A 123 1.276 -1.408 5.851 1.00 0.44 N ATOM 377 CA GLN A 123 1.321 -0.063 6.406 1.00 0.53 C ATOM 378 C GLN A 123 0.631 0.944 5.487 1.00 0.54 C ATOM 379 O GLN A 123 -0.150 1.775 5.956 1.00 0.62 O ATOM 380 CB GLN A 123 2.779 0.314 6.701 1.00 0.65 C ATOM 381 CG GLN A 123 3.105 1.797 6.608 1.00 0.83 C ATOM 382 CD GLN A 123 4.606 2.036 6.552 1.00 1.12 C ATOM 383 OE1 GLN A 123 5.206 2.026 5.476 1.00 1.60 O ATOM 384 NE2 GLN A 123 5.223 2.249 7.700 1.00 1.76 N ATOM 0 H GLN A 123 2.183 -1.765 5.551 1.00 0.44 H new ATOM 0 HA GLN A 123 0.766 -0.040 7.344 1.00 0.53 H new ATOM 0 HB2 GLN A 123 3.030 -0.033 7.703 1.00 0.65 H new ATOM 0 HB3 GLN A 123 3.423 -0.226 6.007 1.00 0.65 H new ATOM 0 HG2 GLN A 123 2.635 2.219 5.719 1.00 0.83 H new ATOM 0 HG3 GLN A 123 2.685 2.318 7.468 1.00 0.83 H new ATOM 0 HE21 GLN A 123 4.693 2.250 8.571 1.00 1.76 H new ATOM 0 HE22 GLN A 123 6.230 2.413 7.715 1.00 1.76 H new ATOM 393 N LEU A 124 0.887 0.866 4.190 1.00 0.49 N ATOM 394 CA LEU A 124 0.277 1.794 3.245 1.00 0.50 C ATOM 395 C LEU A 124 -1.236 1.585 3.181 1.00 0.45 C ATOM 396 O LEU A 124 -1.998 2.543 3.046 1.00 0.52 O ATOM 397 CB LEU A 124 0.923 1.674 1.866 1.00 0.50 C ATOM 398 CG LEU A 124 2.405 2.048 1.822 1.00 0.56 C ATOM 399 CD1 LEU A 124 3.040 1.575 0.526 1.00 0.49 C ATOM 400 CD2 LEU A 124 2.581 3.551 1.990 1.00 0.83 C ATOM 0 H LEU A 124 1.508 0.176 3.768 1.00 0.49 H new ATOM 0 HA LEU A 124 0.454 2.810 3.599 1.00 0.50 H new ATOM 0 HB2 LEU A 124 0.810 0.648 1.515 1.00 0.50 H new ATOM 0 HB3 LEU A 124 0.380 2.312 1.168 1.00 0.50 H new ATOM 0 HG LEU A 124 2.909 1.549 2.649 1.00 0.56 H new ATOM 0 HD11 LEU A 124 4.094 1.851 0.515 1.00 0.49 H new ATOM 0 HD12 LEU A 124 2.948 0.492 0.450 1.00 0.49 H new ATOM 0 HD13 LEU A 124 2.534 2.042 -0.319 1.00 0.49 H new ATOM 0 HD21 LEU A 124 3.642 3.799 1.956 1.00 0.83 H new ATOM 0 HD22 LEU A 124 2.061 4.070 1.185 1.00 0.83 H new ATOM 0 HD23 LEU A 124 2.166 3.861 2.949 1.00 0.83 H new ATOM 412 N LEU A 125 -1.662 0.329 3.301 1.00 0.37 N ATOM 413 CA LEU A 125 -3.087 0.005 3.325 1.00 0.35 C ATOM 414 C LEU A 125 -3.723 0.606 4.565 1.00 0.46 C ATOM 415 O LEU A 125 -4.838 1.116 4.522 1.00 0.52 O ATOM 416 CB LEU A 125 -3.309 -1.510 3.349 1.00 0.28 C ATOM 417 CG LEU A 125 -3.283 -2.223 2.005 1.00 0.25 C ATOM 418 CD1 LEU A 125 -3.255 -3.722 2.236 1.00 0.21 C ATOM 419 CD2 LEU A 125 -4.503 -1.844 1.179 1.00 0.33 C ATOM 0 H LEU A 125 -1.044 -0.478 3.383 1.00 0.37 H new ATOM 0 HA LEU A 125 -3.541 0.416 2.423 1.00 0.35 H new ATOM 0 HB2 LEU A 125 -2.546 -1.956 3.986 1.00 0.28 H new ATOM 0 HB3 LEU A 125 -4.272 -1.706 3.820 1.00 0.28 H new ATOM 0 HG LEU A 125 -2.391 -1.922 1.456 1.00 0.25 H new ATOM 0 HD11 LEU A 125 -3.236 -4.238 1.276 1.00 0.21 H new ATOM 0 HD12 LEU A 125 -2.365 -3.986 2.807 1.00 0.21 H new ATOM 0 HD13 LEU A 125 -4.144 -4.021 2.791 1.00 0.21 H new ATOM 0 HD21 LEU A 125 -4.469 -2.362 0.221 1.00 0.33 H new ATOM 0 HD22 LEU A 125 -5.408 -2.130 1.715 1.00 0.33 H new ATOM 0 HD23 LEU A 125 -4.507 -0.767 1.009 1.00 0.33 H new ATOM 431 N THR A 126 -2.992 0.555 5.664 1.00 0.55 N ATOM 432 CA THR A 126 -3.521 1.019 6.932 1.00 0.74 C ATOM 433 C THR A 126 -3.644 2.539 6.943 1.00 0.92 C ATOM 434 O THR A 126 -4.671 3.090 7.344 1.00 1.07 O ATOM 435 CB THR A 126 -2.642 0.549 8.105 1.00 0.81 C ATOM 436 OG1 THR A 126 -2.640 -0.885 8.164 1.00 0.86 O ATOM 437 CG2 THR A 126 -3.137 1.123 9.423 1.00 0.91 C ATOM 0 H THR A 126 -2.037 0.199 5.704 1.00 0.55 H new ATOM 0 HA THR A 126 -4.514 0.588 7.054 1.00 0.74 H new ATOM 0 HB THR A 126 -1.626 0.908 7.939 1.00 0.81 H new ATOM 0 HG1 THR A 126 -2.061 -1.241 7.458 1.00 0.86 H new ATOM 0 HG21 THR A 126 -2.498 0.775 10.234 1.00 0.91 H new ATOM 0 HG22 THR A 126 -3.108 2.212 9.380 1.00 0.91 H new ATOM 0 HG23 THR A 126 -4.161 0.795 9.601 1.00 0.91 H new ATOM 445 N ALA A 127 -2.594 3.205 6.478 1.00 0.96 N ATOM 446 CA ALA A 127 -2.549 4.659 6.456 1.00 1.09 C ATOM 447 C ALA A 127 -3.655 5.249 5.582 1.00 1.18 C ATOM 448 O ALA A 127 -4.307 6.222 5.964 1.00 1.38 O ATOM 449 CB ALA A 127 -1.188 5.117 5.970 1.00 1.18 C ATOM 0 H ALA A 127 -1.756 2.755 6.109 1.00 0.96 H new ATOM 0 HA ALA A 127 -2.715 5.019 7.471 1.00 1.09 H new ATOM 0 HB1 ALA A 127 -1.155 6.206 5.954 1.00 1.18 H new ATOM 0 HB2 ALA A 127 -0.416 4.741 6.641 1.00 1.18 H new ATOM 0 HB3 ALA A 127 -1.013 4.734 4.965 1.00 1.18 H new ATOM 455 N GLU A 128 -3.852 4.659 4.406 1.00 1.13 N ATOM 456 CA GLU A 128 -4.894 5.111 3.491 1.00 1.31 C ATOM 457 C GLU A 128 -6.270 4.972 4.133 1.00 1.38 C ATOM 458 O GLU A 128 -7.139 5.828 3.973 1.00 1.61 O ATOM 459 CB GLU A 128 -4.841 4.315 2.193 1.00 1.35 C ATOM 460 CG GLU A 128 -5.821 4.800 1.140 1.00 1.47 C ATOM 461 CD GLU A 128 -5.599 6.243 0.737 1.00 1.46 C ATOM 462 OE1 GLU A 128 -6.376 7.111 1.169 1.00 2.02 O ATOM 463 OE2 GLU A 128 -4.658 6.514 -0.035 1.00 1.95 O ATOM 0 H GLU A 128 -3.305 3.869 4.065 1.00 1.13 H new ATOM 0 HA GLU A 128 -4.719 6.163 3.267 1.00 1.31 H new ATOM 0 HB2 GLU A 128 -3.831 4.365 1.787 1.00 1.35 H new ATOM 0 HB3 GLU A 128 -5.045 3.267 2.411 1.00 1.35 H new ATOM 0 HG2 GLU A 128 -5.739 4.166 0.257 1.00 1.47 H new ATOM 0 HG3 GLU A 128 -6.837 4.688 1.519 1.00 1.47 H new ATOM 470 N ILE A 129 -6.449 3.898 4.887 1.00 1.24 N ATOM 471 CA ILE A 129 -7.694 3.683 5.594 1.00 1.42 C ATOM 472 C ILE A 129 -7.897 4.762 6.651 1.00 1.64 C ATOM 473 O ILE A 129 -9.000 5.287 6.808 1.00 1.92 O ATOM 474 CB ILE A 129 -7.743 2.281 6.232 1.00 1.32 C ATOM 475 CG1 ILE A 129 -7.798 1.230 5.128 1.00 1.14 C ATOM 476 CG2 ILE A 129 -8.939 2.138 7.164 1.00 1.59 C ATOM 477 CD1 ILE A 129 -7.713 -0.183 5.637 1.00 1.01 C ATOM 0 H ILE A 129 -5.750 3.168 5.022 1.00 1.24 H new ATOM 0 HA ILE A 129 -8.506 3.745 4.870 1.00 1.42 H new ATOM 0 HB ILE A 129 -6.844 2.137 6.831 1.00 1.32 H new ATOM 0 HG12 ILE A 129 -8.726 1.351 4.569 1.00 1.14 H new ATOM 0 HG13 ILE A 129 -6.980 1.406 4.430 1.00 1.14 H new ATOM 0 HG21 ILE A 129 -8.945 1.138 7.598 1.00 1.59 H new ATOM 0 HG22 ILE A 129 -8.870 2.879 7.961 1.00 1.59 H new ATOM 0 HG23 ILE A 129 -9.859 2.295 6.602 1.00 1.59 H new ATOM 0 HD11 ILE A 129 -7.758 -0.876 4.797 1.00 1.01 H new ATOM 0 HD12 ILE A 129 -6.773 -0.321 6.171 1.00 1.01 H new ATOM 0 HD13 ILE A 129 -8.546 -0.377 6.313 1.00 1.01 H new ATOM 489 N GLU A 130 -6.820 5.117 7.348 1.00 1.56 N ATOM 490 CA GLU A 130 -6.861 6.193 8.329 1.00 1.76 C ATOM 491 C GLU A 130 -7.320 7.489 7.671 1.00 1.94 C ATOM 492 O GLU A 130 -8.139 8.218 8.218 1.00 2.19 O ATOM 493 CB GLU A 130 -5.482 6.406 8.958 1.00 1.67 C ATOM 494 CG GLU A 130 -4.998 5.241 9.806 1.00 1.60 C ATOM 495 CD GLU A 130 -3.697 5.545 10.520 1.00 1.81 C ATOM 496 OE1 GLU A 130 -2.635 5.076 10.066 1.00 2.25 O ATOM 497 OE2 GLU A 130 -3.733 6.255 11.547 1.00 2.15 O ATOM 0 H GLU A 130 -5.907 4.673 7.249 1.00 1.56 H new ATOM 0 HA GLU A 130 -7.567 5.911 9.110 1.00 1.76 H new ATOM 0 HB2 GLU A 130 -4.757 6.589 8.165 1.00 1.67 H new ATOM 0 HB3 GLU A 130 -5.512 7.303 9.576 1.00 1.67 H new ATOM 0 HG2 GLU A 130 -5.762 4.989 10.541 1.00 1.60 H new ATOM 0 HG3 GLU A 130 -4.865 4.365 9.172 1.00 1.60 H new ATOM 504 N LYS A 131 -6.804 7.743 6.474 1.00 1.85 N ATOM 505 CA LYS A 131 -7.125 8.951 5.721 1.00 2.07 C ATOM 506 C LYS A 131 -8.621 9.068 5.452 1.00 2.28 C ATOM 507 O LYS A 131 -9.226 10.107 5.724 1.00 2.54 O ATOM 508 CB LYS A 131 -6.339 8.963 4.404 1.00 2.03 C ATOM 509 CG LYS A 131 -6.866 9.950 3.374 1.00 2.33 C ATOM 510 CD LYS A 131 -5.923 10.060 2.188 1.00 2.59 C ATOM 511 CE LYS A 131 -6.659 10.431 0.910 1.00 3.17 C ATOM 512 NZ LYS A 131 -7.564 9.337 0.461 1.00 3.73 N ATOM 0 H LYS A 131 -6.152 7.119 5.998 1.00 1.85 H new ATOM 0 HA LYS A 131 -6.836 9.813 6.323 1.00 2.07 H new ATOM 0 HB2 LYS A 131 -5.297 9.200 4.618 1.00 2.03 H new ATOM 0 HB3 LYS A 131 -6.357 7.962 3.974 1.00 2.03 H new ATOM 0 HG2 LYS A 131 -7.850 9.631 3.031 1.00 2.33 H new ATOM 0 HG3 LYS A 131 -6.991 10.930 3.835 1.00 2.33 H new ATOM 0 HD2 LYS A 131 -5.161 10.810 2.399 1.00 2.59 H new ATOM 0 HD3 LYS A 131 -5.406 9.111 2.046 1.00 2.59 H new ATOM 0 HE2 LYS A 131 -7.239 11.339 1.074 1.00 3.17 H new ATOM 0 HE3 LYS A 131 -5.936 10.652 0.124 1.00 3.17 H new ATOM 0 HZ1 LYS A 131 -7.429 9.171 -0.557 1.00 3.73 H new ATOM 0 HZ2 LYS A 131 -7.344 8.467 0.986 1.00 3.73 H new ATOM 0 HZ3 LYS A 131 -8.552 9.609 0.639 1.00 3.73 H new ATOM 526 N ILE A 132 -9.220 8.003 4.945 1.00 2.21 N ATOM 527 CA ILE A 132 -10.638 8.022 4.615 1.00 2.47 C ATOM 528 C ILE A 132 -11.503 8.021 5.873 1.00 2.68 C ATOM 529 O ILE A 132 -12.535 8.692 5.929 1.00 2.98 O ATOM 530 CB ILE A 132 -11.022 6.819 3.734 1.00 2.40 C ATOM 531 CG1 ILE A 132 -9.931 6.561 2.694 1.00 2.18 C ATOM 532 CG2 ILE A 132 -12.358 7.068 3.047 1.00 2.72 C ATOM 533 CD1 ILE A 132 -10.265 5.446 1.735 1.00 2.19 C ATOM 0 H ILE A 132 -8.750 7.118 4.753 1.00 2.21 H new ATOM 0 HA ILE A 132 -10.821 8.943 4.061 1.00 2.47 H new ATOM 0 HB ILE A 132 -11.119 5.938 4.369 1.00 2.40 H new ATOM 0 HG12 ILE A 132 -9.756 7.476 2.128 1.00 2.18 H new ATOM 0 HG13 ILE A 132 -9.000 6.321 3.208 1.00 2.18 H new ATOM 0 HG21 ILE A 132 -12.615 6.208 2.428 1.00 2.72 H new ATOM 0 HG22 ILE A 132 -13.132 7.217 3.800 1.00 2.72 H new ATOM 0 HG23 ILE A 132 -12.285 7.957 2.421 1.00 2.72 H new ATOM 0 HD11 ILE A 132 -9.447 5.319 1.026 1.00 2.19 H new ATOM 0 HD12 ILE A 132 -10.411 4.520 2.291 1.00 2.19 H new ATOM 0 HD13 ILE A 132 -11.179 5.693 1.194 1.00 2.19 H new ATOM 545 N GLN A 133 -11.077 7.276 6.886 1.00 2.56 N ATOM 546 CA GLN A 133 -11.835 7.178 8.133 1.00 2.81 C ATOM 547 C GLN A 133 -11.749 8.468 8.948 1.00 2.98 C ATOM 548 O GLN A 133 -12.603 8.726 9.801 1.00 3.27 O ATOM 549 CB GLN A 133 -11.348 6.005 8.985 1.00 2.72 C ATOM 550 CG GLN A 133 -11.672 4.641 8.401 1.00 2.73 C ATOM 551 CD GLN A 133 -11.256 3.505 9.315 1.00 2.94 C ATOM 552 OE1 GLN A 133 -10.292 3.622 10.076 1.00 3.49 O ATOM 553 NE2 GLN A 133 -11.982 2.400 9.255 1.00 2.90 N ATOM 0 H GLN A 133 -10.214 6.732 6.871 1.00 2.56 H new ATOM 0 HA GLN A 133 -12.876 7.010 7.856 1.00 2.81 H new ATOM 0 HB2 GLN A 133 -10.269 6.087 9.114 1.00 2.72 H new ATOM 0 HB3 GLN A 133 -11.794 6.080 9.977 1.00 2.72 H new ATOM 0 HG2 GLN A 133 -12.743 4.576 8.210 1.00 2.73 H new ATOM 0 HG3 GLN A 133 -11.170 4.532 7.440 1.00 2.73 H new ATOM 0 HE21 GLN A 133 -12.772 2.343 8.612 1.00 2.90 H new ATOM 0 HE22 GLN A 133 -11.752 1.605 9.852 1.00 2.90 H new ATOM 562 N LYS A 134 -10.709 9.260 8.705 1.00 2.82 N ATOM 563 CA LYS A 134 -10.541 10.535 9.399 1.00 3.02 C ATOM 564 C LYS A 134 -11.655 11.504 9.068 1.00 3.29 C ATOM 565 O LYS A 134 -12.163 12.207 9.943 1.00 3.54 O ATOM 566 CB LYS A 134 -9.222 11.197 9.023 1.00 2.88 C ATOM 567 CG LYS A 134 -8.039 10.702 9.816 1.00 2.85 C ATOM 568 CD LYS A 134 -6.816 11.556 9.550 1.00 2.90 C ATOM 569 CE LYS A 134 -6.282 11.352 8.144 1.00 3.30 C ATOM 570 NZ LYS A 134 -5.000 12.071 7.925 1.00 3.82 N ATOM 0 H LYS A 134 -9.971 9.043 8.035 1.00 2.82 H new ATOM 0 HA LYS A 134 -10.558 10.306 10.464 1.00 3.02 H new ATOM 0 HB2 LYS A 134 -9.032 11.028 7.963 1.00 2.88 H new ATOM 0 HB3 LYS A 134 -9.315 12.274 9.163 1.00 2.88 H new ATOM 0 HG2 LYS A 134 -8.276 10.720 10.880 1.00 2.85 H new ATOM 0 HG3 LYS A 134 -7.828 9.665 9.554 1.00 2.85 H new ATOM 0 HD2 LYS A 134 -7.068 12.607 9.694 1.00 2.90 H new ATOM 0 HD3 LYS A 134 -6.038 11.312 10.273 1.00 2.90 H new ATOM 0 HE2 LYS A 134 -6.136 10.287 7.963 1.00 3.30 H new ATOM 0 HE3 LYS A 134 -7.021 11.700 7.422 1.00 3.30 H new ATOM 0 HZ1 LYS A 134 -4.671 11.905 6.953 1.00 3.82 H new ATOM 0 HZ2 LYS A 134 -5.144 13.090 8.072 1.00 3.82 H new ATOM 0 HZ3 LYS A 134 -4.287 11.722 8.597 1.00 3.82 H new ATOM 584 N GLY A 135 -12.031 11.539 7.807 1.00 3.29 N ATOM 585 CA GLY A 135 -12.943 12.553 7.359 1.00 3.59 C ATOM 586 C GLY A 135 -14.390 12.151 7.542 1.00 4.02 C ATOM 587 O GLY A 135 -14.696 10.942 7.442 1.00 4.46 O ATOM 588 OXT GLY A 135 -15.223 13.038 7.808 1.00 4.40 O ATOM 0 H GLY A 135 -11.721 10.885 7.088 1.00 3.29 H new ATOM 0 HA2 GLY A 135 -12.753 13.476 7.907 1.00 3.59 H new ATOM 0 HA3 GLY A 135 -12.758 12.764 6.306 1.00 3.59 H new TER 592 GLY A 135 ATOM 593 N PRO B 99 13.712 5.761 6.523 1.00 4.97 N ATOM 594 CA PRO B 99 14.492 6.445 5.484 1.00 4.83 C ATOM 595 C PRO B 99 14.144 5.938 4.092 1.00 4.33 C ATOM 596 O PRO B 99 14.181 4.737 3.834 1.00 4.07 O ATOM 597 CB PRO B 99 15.938 6.088 5.832 1.00 5.14 C ATOM 598 CG PRO B 99 15.840 4.794 6.561 1.00 5.27 C ATOM 599 CD PRO B 99 14.553 4.864 7.334 1.00 5.29 C ATOM 0 HA PRO B 99 14.299 7.518 5.463 1.00 4.83 H new ATOM 0 HB2 PRO B 99 16.550 5.992 4.935 1.00 5.14 H new ATOM 0 HB3 PRO B 99 16.398 6.858 6.451 1.00 5.14 H new ATOM 0 HG2 PRO B 99 15.836 3.953 5.868 1.00 5.27 H new ATOM 0 HG3 PRO B 99 16.691 4.654 7.228 1.00 5.27 H new ATOM 0 HD2 PRO B 99 14.098 3.880 7.446 1.00 5.29 H new ATOM 0 HD3 PRO B 99 14.709 5.259 8.338 1.00 5.29 H new ATOM 607 N GLU B 100 13.832 6.866 3.197 1.00 4.31 N ATOM 608 CA GLU B 100 13.355 6.527 1.858 1.00 4.02 C ATOM 609 C GLU B 100 14.385 5.723 1.063 1.00 3.83 C ATOM 610 O GLU B 100 14.017 4.910 0.217 1.00 3.64 O ATOM 611 CB GLU B 100 12.946 7.784 1.086 1.00 4.28 C ATOM 612 CG GLU B 100 11.690 8.445 1.633 1.00 4.51 C ATOM 613 CD GLU B 100 11.212 9.601 0.775 1.00 4.77 C ATOM 614 OE1 GLU B 100 10.368 9.381 -0.118 1.00 4.99 O ATOM 615 OE2 GLU B 100 11.674 10.740 0.994 1.00 5.14 O ATOM 0 H GLU B 100 13.901 7.868 3.374 1.00 4.31 H new ATOM 0 HA GLU B 100 12.477 5.895 1.987 1.00 4.02 H new ATOM 0 HB2 GLU B 100 13.766 8.501 1.113 1.00 4.28 H new ATOM 0 HB3 GLU B 100 12.785 7.523 0.040 1.00 4.28 H new ATOM 0 HG2 GLU B 100 10.897 7.701 1.707 1.00 4.51 H new ATOM 0 HG3 GLU B 100 11.885 8.805 2.643 1.00 4.51 H new ATOM 622 N ASN B 101 15.664 5.951 1.337 1.00 4.05 N ATOM 623 CA ASN B 101 16.725 5.209 0.653 1.00 4.09 C ATOM 624 C ASN B 101 16.642 3.710 0.958 1.00 3.98 C ATOM 625 O ASN B 101 16.925 2.875 0.101 1.00 4.07 O ATOM 626 CB ASN B 101 18.104 5.751 1.039 1.00 4.55 C ATOM 627 CG ASN B 101 19.204 5.240 0.124 1.00 4.75 C ATOM 628 OD1 ASN B 101 18.888 5.063 -1.153 1.00 5.19 O flip ATOM 629 ND2 ASN B 101 20.338 5.035 0.556 1.00 4.68 N flip ATOM 0 H ASN B 101 15.993 6.635 2.019 1.00 4.05 H new ATOM 0 HA ASN B 101 16.583 5.346 -0.419 1.00 4.09 H new ATOM 0 HB2 ASN B 101 18.085 6.840 1.007 1.00 4.55 H new ATOM 0 HB3 ASN B 101 18.329 5.466 2.067 1.00 4.55 H new ATOM 0 HD21 ASN B 101 20.542 5.183 1.545 1.00 4.68 H new ATOM 0 HD22 ASN B 101 21.074 4.718 -0.074 1.00 4.68 H new ATOM 636 N LYS B 102 16.244 3.380 2.178 1.00 3.93 N ATOM 637 CA LYS B 102 16.017 2.001 2.589 1.00 3.87 C ATOM 638 C LYS B 102 14.600 1.564 2.251 1.00 3.43 C ATOM 639 O LYS B 102 14.356 0.429 1.860 1.00 3.32 O ATOM 640 CB LYS B 102 16.242 1.907 4.092 1.00 4.20 C ATOM 641 CG LYS B 102 15.942 0.547 4.673 1.00 4.62 C ATOM 642 CD LYS B 102 16.219 0.525 6.159 1.00 5.18 C ATOM 643 CE LYS B 102 15.991 -0.850 6.732 1.00 5.68 C ATOM 644 NZ LYS B 102 14.543 -1.177 6.861 1.00 6.27 N ATOM 0 H LYS B 102 16.069 4.064 2.914 1.00 3.93 H new ATOM 0 HA LYS B 102 16.707 1.345 2.059 1.00 3.87 H new ATOM 0 HB2 LYS B 102 17.279 2.164 4.311 1.00 4.20 H new ATOM 0 HB3 LYS B 102 15.618 2.649 4.590 1.00 4.20 H new ATOM 0 HG2 LYS B 102 14.899 0.290 4.489 1.00 4.62 H new ATOM 0 HG3 LYS B 102 16.549 -0.209 4.174 1.00 4.62 H new ATOM 0 HD2 LYS B 102 17.248 0.834 6.345 1.00 5.18 H new ATOM 0 HD3 LYS B 102 15.574 1.244 6.663 1.00 5.18 H new ATOM 0 HE2 LYS B 102 16.473 -1.591 6.094 1.00 5.68 H new ATOM 0 HE3 LYS B 102 16.465 -0.916 7.712 1.00 5.68 H new ATOM 0 HZ1 LYS B 102 14.344 -1.496 7.831 1.00 6.27 H new ATOM 0 HZ2 LYS B 102 13.976 -0.331 6.652 1.00 6.27 H new ATOM 0 HZ3 LYS B 102 14.297 -1.933 6.190 1.00 6.27 H new ATOM 658 N TYR B 103 13.679 2.485 2.427 1.00 3.24 N ATOM 659 CA TYR B 103 12.258 2.265 2.233 1.00 2.85 C ATOM 660 C TYR B 103 11.929 1.822 0.804 1.00 2.56 C ATOM 661 O TYR B 103 11.057 0.975 0.602 1.00 2.28 O ATOM 662 CB TYR B 103 11.572 3.584 2.578 1.00 2.82 C ATOM 663 CG TYR B 103 10.074 3.639 2.441 1.00 2.56 C ATOM 664 CD1 TYR B 103 9.247 2.802 3.166 1.00 2.69 C ATOM 665 CD2 TYR B 103 9.491 4.585 1.614 1.00 2.76 C ATOM 666 CE1 TYR B 103 7.872 2.906 3.071 1.00 2.58 C ATOM 667 CE2 TYR B 103 8.125 4.692 1.501 1.00 2.65 C ATOM 668 CZ TYR B 103 7.316 3.849 2.233 1.00 2.31 C ATOM 669 OH TYR B 103 5.948 3.963 2.148 1.00 2.31 O ATOM 0 H TYR B 103 13.902 3.437 2.718 1.00 3.24 H new ATOM 0 HA TYR B 103 11.907 1.455 2.872 1.00 2.85 H new ATOM 0 HB2 TYR B 103 11.826 3.837 3.607 1.00 2.82 H new ATOM 0 HB3 TYR B 103 11.998 4.362 1.944 1.00 2.82 H new ATOM 0 HD1 TYR B 103 9.681 2.056 3.816 1.00 2.69 H new ATOM 0 HD2 TYR B 103 10.123 5.252 1.046 1.00 2.76 H new ATOM 0 HE1 TYR B 103 7.237 2.252 3.650 1.00 2.58 H new ATOM 0 HE2 TYR B 103 7.689 5.430 0.844 1.00 2.65 H new ATOM 0 HH TYR B 103 5.709 4.891 1.941 1.00 2.31 H new ATOM 679 N LEU B 104 12.633 2.376 -0.182 1.00 2.70 N ATOM 680 CA LEU B 104 12.341 2.120 -1.590 1.00 2.55 C ATOM 681 C LEU B 104 12.547 0.647 -1.979 1.00 2.53 C ATOM 682 O LEU B 104 11.627 0.023 -2.514 1.00 2.25 O ATOM 683 CB LEU B 104 13.197 3.032 -2.475 1.00 2.85 C ATOM 684 CG LEU B 104 13.050 2.812 -3.983 1.00 2.83 C ATOM 685 CD1 LEU B 104 11.605 2.997 -4.409 1.00 2.46 C ATOM 686 CD2 LEU B 104 13.955 3.766 -4.747 1.00 3.18 C ATOM 0 H LEU B 104 13.417 3.011 -0.028 1.00 2.70 H new ATOM 0 HA LEU B 104 11.286 2.342 -1.748 1.00 2.55 H new ATOM 0 HB2 LEU B 104 12.945 4.068 -2.250 1.00 2.85 H new ATOM 0 HB3 LEU B 104 14.244 2.893 -2.205 1.00 2.85 H new ATOM 0 HG LEU B 104 13.349 1.790 -4.214 1.00 2.83 H new ATOM 0 HD11 LEU B 104 11.519 2.837 -5.484 1.00 2.46 H new ATOM 0 HD12 LEU B 104 10.976 2.278 -3.884 1.00 2.46 H new ATOM 0 HD13 LEU B 104 11.281 4.009 -4.166 1.00 2.46 H new ATOM 0 HD21 LEU B 104 13.840 3.598 -5.818 1.00 3.18 H new ATOM 0 HD22 LEU B 104 13.683 4.794 -4.510 1.00 3.18 H new ATOM 0 HD23 LEU B 104 14.992 3.590 -4.462 1.00 3.18 H new ATOM 698 N PRO B 105 13.741 0.061 -1.741 1.00 2.88 N ATOM 699 CA PRO B 105 14.000 -1.343 -2.089 1.00 2.95 C ATOM 700 C PRO B 105 13.063 -2.295 -1.351 1.00 2.65 C ATOM 701 O PRO B 105 12.706 -3.356 -1.859 1.00 2.62 O ATOM 702 CB PRO B 105 15.453 -1.564 -1.652 1.00 3.43 C ATOM 703 CG PRO B 105 15.680 -0.506 -0.630 1.00 3.51 C ATOM 704 CD PRO B 105 14.928 0.684 -1.134 1.00 3.28 C ATOM 0 HA PRO B 105 13.834 -1.540 -3.148 1.00 2.95 H new ATOM 0 HB2 PRO B 105 15.598 -2.561 -1.235 1.00 3.43 H new ATOM 0 HB3 PRO B 105 16.143 -1.465 -2.490 1.00 3.43 H new ATOM 0 HG2 PRO B 105 15.316 -0.818 0.349 1.00 3.51 H new ATOM 0 HG3 PRO B 105 16.742 -0.285 -0.520 1.00 3.51 H new ATOM 0 HD2 PRO B 105 14.662 1.370 -0.329 1.00 3.28 H new ATOM 0 HD3 PRO B 105 15.506 1.254 -1.861 1.00 3.28 H new ATOM 712 N GLU B 106 12.677 -1.915 -0.147 1.00 2.53 N ATOM 713 CA GLU B 106 11.708 -2.686 0.605 1.00 2.35 C ATOM 714 C GLU B 106 10.374 -2.717 -0.127 1.00 1.89 C ATOM 715 O GLU B 106 9.725 -3.759 -0.225 1.00 1.84 O ATOM 716 CB GLU B 106 11.524 -2.071 1.982 1.00 2.43 C ATOM 717 CG GLU B 106 12.825 -1.954 2.758 1.00 2.88 C ATOM 718 CD GLU B 106 12.608 -1.713 4.234 1.00 3.33 C ATOM 719 OE1 GLU B 106 13.066 -2.543 5.047 1.00 3.62 O ATOM 720 OE2 GLU B 106 11.981 -0.697 4.589 1.00 3.71 O ATOM 0 H GLU B 106 13.019 -1.080 0.329 1.00 2.53 H new ATOM 0 HA GLU B 106 12.074 -3.707 0.709 1.00 2.35 H new ATOM 0 HB2 GLU B 106 11.080 -1.081 1.875 1.00 2.43 H new ATOM 0 HB3 GLU B 106 10.820 -2.676 2.553 1.00 2.43 H new ATOM 0 HG2 GLU B 106 13.405 -2.867 2.625 1.00 2.88 H new ATOM 0 HG3 GLU B 106 13.417 -1.137 2.345 1.00 2.88 H new ATOM 727 N LEU B 107 9.988 -1.565 -0.661 1.00 1.63 N ATOM 728 CA LEU B 107 8.733 -1.440 -1.382 1.00 1.23 C ATOM 729 C LEU B 107 8.731 -2.322 -2.623 1.00 1.08 C ATOM 730 O LEU B 107 7.767 -3.029 -2.885 1.00 0.96 O ATOM 731 CB LEU B 107 8.492 0.007 -1.803 1.00 1.21 C ATOM 732 CG LEU B 107 8.311 1.003 -0.667 1.00 1.31 C ATOM 733 CD1 LEU B 107 8.413 2.417 -1.204 1.00 1.42 C ATOM 734 CD2 LEU B 107 6.967 0.792 0.010 1.00 1.19 C ATOM 0 H LEU B 107 10.530 -0.703 -0.607 1.00 1.63 H new ATOM 0 HA LEU B 107 7.937 -1.760 -0.710 1.00 1.23 H new ATOM 0 HB2 LEU B 107 9.332 0.332 -2.417 1.00 1.21 H new ATOM 0 HB3 LEU B 107 7.604 0.039 -2.435 1.00 1.21 H new ATOM 0 HG LEU B 107 9.098 0.846 0.071 1.00 1.31 H new ATOM 0 HD11 LEU B 107 8.283 3.127 -0.387 1.00 1.42 H new ATOM 0 HD12 LEU B 107 9.392 2.564 -1.659 1.00 1.42 H new ATOM 0 HD13 LEU B 107 7.637 2.579 -1.952 1.00 1.42 H new ATOM 0 HD21 LEU B 107 6.851 1.511 0.821 1.00 1.19 H new ATOM 0 HD22 LEU B 107 6.167 0.933 -0.717 1.00 1.19 H new ATOM 0 HD23 LEU B 107 6.917 -0.220 0.413 1.00 1.19 H new ATOM 746 N MET B 108 9.828 -2.287 -3.374 1.00 1.26 N ATOM 747 CA MET B 108 9.932 -3.068 -4.605 1.00 1.26 C ATOM 748 C MET B 108 9.888 -4.565 -4.313 1.00 1.17 C ATOM 749 O MET B 108 9.309 -5.329 -5.081 1.00 1.13 O ATOM 750 CB MET B 108 11.202 -2.711 -5.396 1.00 1.64 C ATOM 751 CG MET B 108 12.508 -3.130 -4.747 1.00 1.96 C ATOM 752 SD MET B 108 13.953 -2.676 -5.730 1.00 2.39 S ATOM 753 CE MET B 108 13.788 -0.893 -5.784 1.00 2.67 C ATOM 0 H MET B 108 10.654 -1.730 -3.154 1.00 1.26 H new ATOM 0 HA MET B 108 9.070 -2.813 -5.222 1.00 1.26 H new ATOM 0 HB2 MET B 108 11.139 -3.174 -6.381 1.00 1.64 H new ATOM 0 HB3 MET B 108 11.222 -1.632 -5.552 1.00 1.64 H new ATOM 0 HG2 MET B 108 12.584 -2.668 -3.762 1.00 1.96 H new ATOM 0 HG3 MET B 108 12.503 -4.209 -4.594 1.00 1.96 H new ATOM 0 HE1 MET B 108 14.763 -0.432 -5.622 1.00 2.67 H new ATOM 0 HE2 MET B 108 13.402 -0.593 -6.758 1.00 2.67 H new ATOM 0 HE3 MET B 108 13.099 -0.568 -5.005 1.00 2.67 H new ATOM 763 N ALA B 109 10.479 -4.980 -3.198 1.00 1.27 N ATOM 764 CA ALA B 109 10.482 -6.393 -2.835 1.00 1.30 C ATOM 765 C ALA B 109 9.082 -6.858 -2.440 1.00 0.99 C ATOM 766 O ALA B 109 8.618 -7.905 -2.894 1.00 1.01 O ATOM 767 CB ALA B 109 11.480 -6.659 -1.717 1.00 1.60 C ATOM 0 H ALA B 109 10.957 -4.367 -2.537 1.00 1.27 H new ATOM 0 HA ALA B 109 10.791 -6.967 -3.709 1.00 1.30 H new ATOM 0 HB1 ALA B 109 11.466 -7.719 -1.462 1.00 1.60 H new ATOM 0 HB2 ALA B 109 12.480 -6.378 -2.048 1.00 1.60 H new ATOM 0 HB3 ALA B 109 11.209 -6.071 -0.840 1.00 1.60 H new ATOM 773 N GLU B 110 8.412 -6.069 -1.608 1.00 0.80 N ATOM 774 CA GLU B 110 7.037 -6.380 -1.222 1.00 0.62 C ATOM 775 C GLU B 110 6.128 -6.302 -2.449 1.00 0.45 C ATOM 776 O GLU B 110 5.267 -7.144 -2.663 1.00 0.54 O ATOM 777 CB GLU B 110 6.545 -5.405 -0.145 1.00 0.56 C ATOM 778 CG GLU B 110 7.268 -5.535 1.187 1.00 0.60 C ATOM 779 CD GLU B 110 6.721 -4.584 2.235 1.00 0.83 C ATOM 780 OE1 GLU B 110 7.514 -4.014 3.013 1.00 1.49 O ATOM 781 OE2 GLU B 110 5.491 -4.394 2.281 1.00 1.48 O ATOM 0 H GLU B 110 8.791 -5.219 -1.191 1.00 0.80 H new ATOM 0 HA GLU B 110 7.008 -7.390 -0.813 1.00 0.62 H new ATOM 0 HB2 GLU B 110 6.663 -4.385 -0.512 1.00 0.56 H new ATOM 0 HB3 GLU B 110 5.479 -5.565 0.015 1.00 0.56 H new ATOM 0 HG2 GLU B 110 7.179 -6.560 1.548 1.00 0.60 H new ATOM 0 HG3 GLU B 110 8.330 -5.340 1.042 1.00 0.60 H new ATOM 788 N LYS B 111 6.371 -5.276 -3.244 1.00 0.41 N ATOM 789 CA LYS B 111 5.598 -5.093 -4.471 1.00 0.46 C ATOM 790 C LYS B 111 5.758 -6.296 -5.409 1.00 0.47 C ATOM 791 O LYS B 111 4.781 -6.803 -5.957 1.00 0.52 O ATOM 792 CB LYS B 111 6.009 -3.801 -5.181 1.00 0.63 C ATOM 793 CG LYS B 111 5.567 -3.728 -6.632 1.00 0.79 C ATOM 794 CD LYS B 111 5.994 -2.423 -7.275 1.00 0.89 C ATOM 795 CE LYS B 111 5.815 -2.444 -8.784 1.00 1.15 C ATOM 796 NZ LYS B 111 4.395 -2.626 -9.189 1.00 1.89 N ATOM 0 H LYS B 111 7.083 -4.566 -3.072 1.00 0.41 H new ATOM 0 HA LYS B 111 4.546 -5.017 -4.196 1.00 0.46 H new ATOM 0 HB2 LYS B 111 5.590 -2.952 -4.641 1.00 0.63 H new ATOM 0 HB3 LYS B 111 7.094 -3.703 -5.137 1.00 0.63 H new ATOM 0 HG2 LYS B 111 5.992 -4.565 -7.186 1.00 0.79 H new ATOM 0 HG3 LYS B 111 4.483 -3.826 -6.689 1.00 0.79 H new ATOM 0 HD2 LYS B 111 5.412 -1.604 -6.853 1.00 0.89 H new ATOM 0 HD3 LYS B 111 7.040 -2.227 -7.037 1.00 0.89 H new ATOM 0 HE2 LYS B 111 6.192 -1.512 -9.204 1.00 1.15 H new ATOM 0 HE3 LYS B 111 6.416 -3.250 -9.206 1.00 1.15 H new ATOM 0 HZ1 LYS B 111 4.283 -2.367 -10.190 1.00 1.89 H new ATOM 0 HZ2 LYS B 111 4.121 -3.620 -9.056 1.00 1.89 H new ATOM 0 HZ3 LYS B 111 3.787 -2.018 -8.604 1.00 1.89 H new ATOM 810 N ASP B 112 6.987 -6.749 -5.590 1.00 0.49 N ATOM 811 CA ASP B 112 7.271 -7.871 -6.485 1.00 0.58 C ATOM 812 C ASP B 112 6.747 -9.195 -5.918 1.00 0.53 C ATOM 813 O ASP B 112 6.463 -10.130 -6.667 1.00 0.63 O ATOM 814 CB ASP B 112 8.780 -7.971 -6.738 1.00 0.72 C ATOM 815 CG ASP B 112 9.139 -9.016 -7.779 1.00 2.65 C ATOM 816 OD1 ASP B 112 9.525 -10.142 -7.397 1.00 3.03 O ATOM 817 OD2 ASP B 112 9.042 -8.716 -8.986 1.00 3.08 O ATOM 0 H ASP B 112 7.810 -6.359 -5.130 1.00 0.49 H new ATOM 0 HA ASP B 112 6.754 -7.684 -7.426 1.00 0.58 H new ATOM 0 HB2 ASP B 112 9.154 -7.000 -7.062 1.00 0.72 H new ATOM 0 HB3 ASP B 112 9.285 -8.210 -5.802 1.00 0.72 H new ATOM 822 N SER B 113 6.604 -9.264 -4.600 1.00 0.44 N ATOM 823 CA SER B 113 6.230 -10.512 -3.937 1.00 0.43 C ATOM 824 C SER B 113 4.753 -10.549 -3.536 1.00 0.35 C ATOM 825 O SER B 113 4.226 -11.604 -3.173 1.00 0.40 O ATOM 826 CB SER B 113 7.102 -10.717 -2.702 1.00 0.44 C ATOM 827 OG SER B 113 8.476 -10.760 -3.051 1.00 0.55 O ATOM 0 H SER B 113 6.740 -8.474 -3.969 1.00 0.44 H new ATOM 0 HA SER B 113 6.389 -11.318 -4.653 1.00 0.43 H new ATOM 0 HB2 SER B 113 6.929 -9.908 -1.992 1.00 0.44 H new ATOM 0 HB3 SER B 113 6.821 -11.645 -2.204 1.00 0.44 H new ATOM 0 HG SER B 113 8.838 -9.850 -3.066 1.00 0.55 H new ATOM 833 N LEU B 114 4.090 -9.405 -3.595 1.00 0.27 N ATOM 834 CA LEU B 114 2.708 -9.300 -3.148 1.00 0.23 C ATOM 835 C LEU B 114 1.762 -9.859 -4.203 1.00 0.27 C ATOM 836 O LEU B 114 1.997 -9.713 -5.405 1.00 0.30 O ATOM 837 CB LEU B 114 2.366 -7.841 -2.856 1.00 0.17 C ATOM 838 CG LEU B 114 1.138 -7.613 -1.971 1.00 0.14 C ATOM 839 CD1 LEU B 114 1.474 -7.846 -0.507 1.00 0.14 C ATOM 840 CD2 LEU B 114 0.592 -6.213 -2.166 1.00 0.16 C ATOM 0 H LEU B 114 4.486 -8.534 -3.948 1.00 0.27 H new ATOM 0 HA LEU B 114 2.591 -9.884 -2.235 1.00 0.23 H new ATOM 0 HB2 LEU B 114 3.227 -7.373 -2.379 1.00 0.17 H new ATOM 0 HB3 LEU B 114 2.209 -7.327 -3.804 1.00 0.17 H new ATOM 0 HG LEU B 114 0.373 -8.331 -2.267 1.00 0.14 H new ATOM 0 HD11 LEU B 114 0.585 -7.678 0.101 1.00 0.14 H new ATOM 0 HD12 LEU B 114 1.818 -8.871 -0.371 1.00 0.14 H new ATOM 0 HD13 LEU B 114 2.260 -7.156 -0.200 1.00 0.14 H new ATOM 0 HD21 LEU B 114 -0.280 -6.071 -1.528 1.00 0.16 H new ATOM 0 HD22 LEU B 114 1.358 -5.484 -1.901 1.00 0.16 H new ATOM 0 HD23 LEU B 114 0.305 -6.076 -3.209 1.00 0.16 H new ATOM 852 N ASP B 115 0.703 -10.509 -3.740 1.00 0.29 N ATOM 853 CA ASP B 115 -0.280 -11.114 -4.627 1.00 0.34 C ATOM 854 C ASP B 115 -1.112 -10.036 -5.317 1.00 0.33 C ATOM 855 O ASP B 115 -1.628 -9.125 -4.666 1.00 0.29 O ATOM 856 CB ASP B 115 -1.194 -12.054 -3.839 1.00 0.37 C ATOM 857 CG ASP B 115 -2.027 -12.938 -4.743 1.00 0.49 C ATOM 858 OD1 ASP B 115 -1.671 -14.119 -4.915 1.00 1.23 O ATOM 859 OD2 ASP B 115 -3.041 -12.460 -5.292 1.00 1.21 O ATOM 0 H ASP B 115 0.502 -10.631 -2.747 1.00 0.29 H new ATOM 0 HA ASP B 115 0.249 -11.688 -5.388 1.00 0.34 H new ATOM 0 HB2 ASP B 115 -0.589 -12.678 -3.181 1.00 0.37 H new ATOM 0 HB3 ASP B 115 -1.854 -11.465 -3.202 1.00 0.37 H new ATOM 864 N PRO B 116 -1.253 -10.138 -6.650 1.00 0.41 N ATOM 865 CA PRO B 116 -1.952 -9.136 -7.467 1.00 0.46 C ATOM 866 C PRO B 116 -3.440 -9.015 -7.138 1.00 0.42 C ATOM 867 O PRO B 116 -4.079 -8.029 -7.511 1.00 0.47 O ATOM 868 CB PRO B 116 -1.762 -9.639 -8.900 1.00 0.55 C ATOM 869 CG PRO B 116 -1.499 -11.095 -8.756 1.00 0.55 C ATOM 870 CD PRO B 116 -0.729 -11.242 -7.476 1.00 0.50 C ATOM 0 HA PRO B 116 -1.552 -8.138 -7.290 1.00 0.46 H new ATOM 0 HB2 PRO B 116 -2.649 -9.455 -9.505 1.00 0.55 H new ATOM 0 HB3 PRO B 116 -0.931 -9.133 -9.391 1.00 0.55 H new ATOM 0 HG2 PRO B 116 -2.431 -11.660 -8.720 1.00 0.55 H new ATOM 0 HG3 PRO B 116 -0.928 -11.476 -9.603 1.00 0.55 H new ATOM 0 HD2 PRO B 116 -0.901 -12.212 -7.010 1.00 0.50 H new ATOM 0 HD3 PRO B 116 0.345 -11.152 -7.638 1.00 0.50 H new ATOM 878 N SER B 117 -3.989 -10.013 -6.442 1.00 0.36 N ATOM 879 CA SER B 117 -5.400 -9.999 -6.066 1.00 0.37 C ATOM 880 C SER B 117 -5.694 -8.819 -5.140 1.00 0.38 C ATOM 881 O SER B 117 -6.839 -8.380 -5.011 1.00 0.56 O ATOM 882 CB SER B 117 -5.791 -11.317 -5.387 1.00 0.37 C ATOM 883 OG SER B 117 -7.192 -11.398 -5.168 1.00 1.30 O ATOM 0 H SER B 117 -3.477 -10.838 -6.129 1.00 0.36 H new ATOM 0 HA SER B 117 -5.995 -9.888 -6.973 1.00 0.37 H new ATOM 0 HB2 SER B 117 -5.470 -12.155 -6.006 1.00 0.37 H new ATOM 0 HB3 SER B 117 -5.268 -11.405 -4.435 1.00 0.37 H new ATOM 0 HG SER B 117 -7.407 -12.251 -4.735 1.00 1.30 H new ATOM 889 N PHE B 118 -4.657 -8.302 -4.504 1.00 0.28 N ATOM 890 CA PHE B 118 -4.792 -7.123 -3.669 1.00 0.32 C ATOM 891 C PHE B 118 -4.467 -5.889 -4.492 1.00 0.44 C ATOM 892 O PHE B 118 -3.346 -5.387 -4.465 1.00 0.94 O ATOM 893 CB PHE B 118 -3.872 -7.213 -2.457 1.00 0.27 C ATOM 894 CG PHE B 118 -4.094 -8.446 -1.640 1.00 0.23 C ATOM 895 CD1 PHE B 118 -4.883 -8.404 -0.507 1.00 1.22 C ATOM 896 CD2 PHE B 118 -3.508 -9.645 -2.004 1.00 1.21 C ATOM 897 CE1 PHE B 118 -5.086 -9.536 0.250 1.00 1.21 C ATOM 898 CE2 PHE B 118 -3.708 -10.781 -1.253 1.00 1.23 C ATOM 899 CZ PHE B 118 -4.499 -10.728 -0.122 1.00 0.28 C ATOM 0 H PHE B 118 -3.711 -8.681 -4.551 1.00 0.28 H new ATOM 0 HA PHE B 118 -5.818 -7.057 -3.306 1.00 0.32 H new ATOM 0 HB2 PHE B 118 -2.835 -7.189 -2.793 1.00 0.27 H new ATOM 0 HB3 PHE B 118 -4.023 -6.336 -1.828 1.00 0.27 H new ATOM 0 HD1 PHE B 118 -5.345 -7.474 -0.212 1.00 1.22 H new ATOM 0 HD2 PHE B 118 -2.887 -9.690 -2.887 1.00 1.21 H new ATOM 0 HE1 PHE B 118 -5.704 -9.491 1.134 1.00 1.21 H new ATOM 0 HE2 PHE B 118 -3.247 -11.712 -1.548 1.00 1.23 H new ATOM 0 HZ PHE B 118 -4.658 -11.617 0.470 1.00 0.28 H new ATOM 909 N THR B 119 -5.462 -5.419 -5.226 1.00 0.39 N ATOM 910 CA THR B 119 -5.283 -4.325 -6.164 1.00 0.39 C ATOM 911 C THR B 119 -4.747 -3.067 -5.491 1.00 0.41 C ATOM 912 O THR B 119 -3.743 -2.513 -5.924 1.00 0.45 O ATOM 913 CB THR B 119 -6.607 -4.006 -6.875 1.00 0.44 C ATOM 914 OG1 THR B 119 -7.068 -5.175 -7.569 1.00 0.48 O ATOM 915 CG2 THR B 119 -6.432 -2.853 -7.854 1.00 0.45 C ATOM 0 H THR B 119 -6.414 -5.784 -5.188 1.00 0.39 H new ATOM 0 HA THR B 119 -4.543 -4.652 -6.894 1.00 0.39 H new ATOM 0 HB THR B 119 -7.344 -3.708 -6.129 1.00 0.44 H new ATOM 0 HG1 THR B 119 -7.914 -4.974 -8.022 1.00 0.48 H new ATOM 0 HG21 THR B 119 -7.383 -2.645 -8.345 1.00 0.45 H new ATOM 0 HG22 THR B 119 -6.100 -1.965 -7.315 1.00 0.45 H new ATOM 0 HG23 THR B 119 -5.687 -3.122 -8.603 1.00 0.45 H new ATOM 923 N HIS B 120 -5.409 -2.620 -4.437 1.00 0.44 N ATOM 924 CA HIS B 120 -5.032 -1.376 -3.782 1.00 0.51 C ATOM 925 C HIS B 120 -3.707 -1.516 -3.051 1.00 0.47 C ATOM 926 O HIS B 120 -2.891 -0.601 -3.071 1.00 0.57 O ATOM 927 CB HIS B 120 -6.130 -0.905 -2.838 1.00 0.60 C ATOM 928 CG HIS B 120 -7.384 -0.535 -3.560 1.00 0.92 C ATOM 929 ND1 HIS B 120 -7.418 0.375 -4.597 1.00 1.09 N ATOM 930 CD2 HIS B 120 -8.648 -0.988 -3.420 1.00 1.19 C ATOM 931 CE1 HIS B 120 -8.648 0.459 -5.062 1.00 1.40 C ATOM 932 NE2 HIS B 120 -9.414 -0.356 -4.365 1.00 1.47 N ATOM 0 H HIS B 120 -6.207 -3.097 -4.017 1.00 0.44 H new ATOM 0 HA HIS B 120 -4.903 -0.619 -4.555 1.00 0.51 H new ATOM 0 HB2 HIS B 120 -6.348 -1.693 -2.118 1.00 0.60 H new ATOM 0 HB3 HIS B 120 -5.773 -0.045 -2.271 1.00 0.60 H new ATOM 0 HD1 HIS B 120 -6.617 0.900 -4.948 1.00 1.09 H new ATOM 0 HD2 HIS B 120 -8.992 -1.714 -2.698 1.00 1.19 H new ATOM 0 HE1 HIS B 120 -8.973 1.089 -5.877 1.00 1.40 H new ATOM 0 HE2 HIS B 120 -10.415 -0.494 -4.506 1.00 1.47 H new ATOM 941 N ALA B 121 -3.496 -2.661 -2.417 1.00 0.37 N ATOM 942 CA ALA B 121 -2.227 -2.945 -1.757 1.00 0.33 C ATOM 943 C ALA B 121 -1.087 -2.893 -2.762 1.00 0.38 C ATOM 944 O ALA B 121 -0.022 -2.337 -2.498 1.00 0.47 O ATOM 945 CB ALA B 121 -2.280 -4.303 -1.077 1.00 0.27 C ATOM 0 H ALA B 121 -4.186 -3.409 -2.345 1.00 0.37 H new ATOM 0 HA ALA B 121 -2.049 -2.185 -0.996 1.00 0.33 H new ATOM 0 HB1 ALA B 121 -1.326 -4.503 -0.588 1.00 0.27 H new ATOM 0 HB2 ALA B 121 -3.077 -4.307 -0.333 1.00 0.27 H new ATOM 0 HB3 ALA B 121 -2.475 -5.075 -1.821 1.00 0.27 H new ATOM 951 N MET B 122 -1.345 -3.449 -3.931 1.00 0.35 N ATOM 952 CA MET B 122 -0.381 -3.452 -5.020 1.00 0.34 C ATOM 953 C MET B 122 -0.216 -2.051 -5.603 1.00 0.38 C ATOM 954 O MET B 122 0.891 -1.621 -5.937 1.00 0.41 O ATOM 955 CB MET B 122 -0.834 -4.435 -6.101 1.00 0.37 C ATOM 956 CG MET B 122 -0.544 -5.892 -5.780 1.00 0.38 C ATOM 957 SD MET B 122 1.079 -6.439 -6.358 1.00 0.49 S ATOM 958 CE MET B 122 2.166 -5.345 -5.452 1.00 0.63 C ATOM 0 H MET B 122 -2.227 -3.911 -4.154 1.00 0.35 H new ATOM 0 HA MET B 122 0.588 -3.768 -4.633 1.00 0.34 H new ATOM 0 HB2 MET B 122 -1.906 -4.316 -6.258 1.00 0.37 H new ATOM 0 HB3 MET B 122 -0.343 -4.177 -7.040 1.00 0.37 H new ATOM 0 HG2 MET B 122 -0.607 -6.039 -4.702 1.00 0.38 H new ATOM 0 HG3 MET B 122 -1.314 -6.517 -6.233 1.00 0.38 H new ATOM 0 HE1 MET B 122 3.176 -5.756 -5.449 1.00 0.63 H new ATOM 0 HE2 MET B 122 2.174 -4.364 -5.928 1.00 0.63 H new ATOM 0 HE3 MET B 122 1.811 -5.247 -4.426 1.00 0.63 H new ATOM 968 N GLN B 123 -1.329 -1.345 -5.704 1.00 0.44 N ATOM 969 CA GLN B 123 -1.345 0.007 -6.247 1.00 0.53 C ATOM 970 C GLN B 123 -0.640 0.994 -5.316 1.00 0.54 C ATOM 971 O GLN B 123 0.158 1.812 -5.774 1.00 0.62 O ATOM 972 CB GLN B 123 -2.795 0.414 -6.543 1.00 0.65 C ATOM 973 CG GLN B 123 -3.093 1.900 -6.439 1.00 0.83 C ATOM 974 CD GLN B 123 -4.588 2.166 -6.380 1.00 1.12 C ATOM 975 OE1 GLN B 123 -5.187 2.171 -5.303 1.00 1.60 O ATOM 976 NE2 GLN B 123 -5.204 2.387 -7.527 1.00 1.76 N ATOM 0 H GLN B 123 -2.245 -1.689 -5.414 1.00 0.44 H new ATOM 0 HA GLN B 123 -0.785 0.027 -7.182 1.00 0.53 H new ATOM 0 HB2 GLN B 123 -3.049 0.080 -7.549 1.00 0.65 H new ATOM 0 HB3 GLN B 123 -3.451 -0.119 -5.855 1.00 0.65 H new ATOM 0 HG2 GLN B 123 -2.615 2.306 -5.548 1.00 0.83 H new ATOM 0 HG3 GLN B 123 -2.664 2.419 -7.296 1.00 0.83 H new ATOM 0 HE21 GLN B 123 -4.676 2.375 -8.400 1.00 1.76 H new ATOM 0 HE22 GLN B 123 -6.207 2.569 -7.540 1.00 1.76 H new ATOM 985 N LEU B 124 -0.905 0.909 -4.020 1.00 0.49 N ATOM 986 CA LEU B 124 -0.281 1.817 -3.065 1.00 0.50 C ATOM 987 C LEU B 124 1.228 1.582 -2.998 1.00 0.45 C ATOM 988 O LEU B 124 2.006 2.526 -2.852 1.00 0.52 O ATOM 989 CB LEU B 124 -0.935 1.695 -1.690 1.00 0.50 C ATOM 990 CG LEU B 124 -2.410 2.096 -1.648 1.00 0.56 C ATOM 991 CD1 LEU B 124 -3.056 1.625 -0.357 1.00 0.49 C ATOM 992 CD2 LEU B 124 -2.556 3.604 -1.801 1.00 0.83 C ATOM 0 H LEU B 124 -1.542 0.227 -3.607 1.00 0.49 H new ATOM 0 HA LEU B 124 -0.437 2.839 -3.410 1.00 0.50 H new ATOM 0 HB2 LEU B 124 -0.843 0.664 -1.349 1.00 0.50 H new ATOM 0 HB3 LEU B 124 -0.383 2.315 -0.984 1.00 0.50 H new ATOM 0 HG LEU B 124 -2.921 1.614 -2.481 1.00 0.56 H new ATOM 0 HD11 LEU B 124 -4.105 1.920 -0.346 1.00 0.49 H new ATOM 0 HD12 LEU B 124 -2.984 0.540 -0.289 1.00 0.49 H new ATOM 0 HD13 LEU B 124 -2.543 2.077 0.492 1.00 0.49 H new ATOM 0 HD21 LEU B 124 -3.612 3.872 -1.769 1.00 0.83 H new ATOM 0 HD22 LEU B 124 -2.029 4.105 -0.989 1.00 0.83 H new ATOM 0 HD23 LEU B 124 -2.131 3.916 -2.755 1.00 0.83 H new ATOM 1004 N LEU B 125 1.633 0.318 -3.127 1.00 0.37 N ATOM 1005 CA LEU B 125 3.052 -0.034 -3.151 1.00 0.35 C ATOM 1006 C LEU B 125 3.704 0.569 -4.382 1.00 0.46 C ATOM 1007 O LEU B 125 4.823 1.069 -4.328 1.00 0.52 O ATOM 1008 CB LEU B 125 3.243 -1.553 -3.187 1.00 0.28 C ATOM 1009 CG LEU B 125 3.199 -2.278 -1.851 1.00 0.25 C ATOM 1010 CD1 LEU B 125 3.145 -3.773 -2.096 1.00 0.21 C ATOM 1011 CD2 LEU B 125 4.421 -1.928 -1.019 1.00 0.33 C ATOM 0 H LEU B 125 1.000 -0.477 -3.216 1.00 0.37 H new ATOM 0 HA LEU B 125 3.513 0.358 -2.245 1.00 0.35 H new ATOM 0 HB2 LEU B 125 2.472 -1.978 -3.830 1.00 0.28 H new ATOM 0 HB3 LEU B 125 4.203 -1.764 -3.658 1.00 0.28 H new ATOM 0 HG LEU B 125 2.310 -1.967 -1.302 1.00 0.25 H new ATOM 0 HD11 LEU B 125 3.113 -4.297 -1.141 1.00 0.21 H new ATOM 0 HD12 LEU B 125 2.252 -4.015 -2.673 1.00 0.21 H new ATOM 0 HD13 LEU B 125 4.031 -4.083 -2.651 1.00 0.21 H new ATOM 0 HD21 LEU B 125 4.375 -2.455 -0.066 1.00 0.33 H new ATOM 0 HD22 LEU B 125 5.323 -2.225 -1.554 1.00 0.33 H new ATOM 0 HD23 LEU B 125 4.443 -0.853 -0.839 1.00 0.33 H new ATOM 1023 N THR B 126 2.973 0.539 -5.484 1.00 0.55 N ATOM 1024 CA THR B 126 3.516 1.003 -6.744 1.00 0.74 C ATOM 1025 C THR B 126 3.667 2.522 -6.737 1.00 0.92 C ATOM 1026 O THR B 126 4.710 3.057 -7.124 1.00 1.07 O ATOM 1027 CB THR B 126 2.630 0.564 -7.924 1.00 0.81 C ATOM 1028 OG1 THR B 126 2.605 -0.869 -8.000 1.00 0.86 O ATOM 1029 CG2 THR B 126 3.139 1.145 -9.234 1.00 0.91 C ATOM 0 H THR B 126 2.012 0.201 -5.530 1.00 0.55 H new ATOM 0 HA THR B 126 4.501 0.553 -6.869 1.00 0.74 H new ATOM 0 HB THR B 126 1.620 0.939 -7.757 1.00 0.81 H new ATOM 0 HG1 THR B 126 2.019 -1.224 -7.299 1.00 0.86 H new ATOM 0 HG21 THR B 126 2.495 0.819 -10.051 1.00 0.91 H new ATOM 0 HG22 THR B 126 3.130 2.233 -9.177 1.00 0.91 H new ATOM 0 HG23 THR B 126 4.157 0.799 -9.414 1.00 0.91 H new ATOM 1037 N ALA B 127 2.629 3.203 -6.271 1.00 0.96 N ATOM 1038 CA ALA B 127 2.611 4.659 -6.234 1.00 1.09 C ATOM 1039 C ALA B 127 3.726 5.221 -5.357 1.00 1.18 C ATOM 1040 O ALA B 127 4.403 6.180 -5.732 1.00 1.38 O ATOM 1041 CB ALA B 127 1.256 5.137 -5.744 1.00 1.18 C ATOM 0 H ALA B 127 1.781 2.766 -5.910 1.00 0.96 H new ATOM 0 HA ALA B 127 2.784 5.026 -7.246 1.00 1.09 H new ATOM 0 HB1 ALA B 127 1.243 6.227 -5.716 1.00 1.18 H new ATOM 0 HB2 ALA B 127 0.478 4.782 -6.420 1.00 1.18 H new ATOM 0 HB3 ALA B 127 1.073 4.746 -4.743 1.00 1.18 H new ATOM 1047 N GLU B 128 3.908 4.618 -4.185 1.00 1.12 N ATOM 1048 CA GLU B 128 4.957 5.040 -3.261 1.00 1.31 C ATOM 1049 C GLU B 128 6.331 4.882 -3.901 1.00 1.38 C ATOM 1050 O GLU B 128 7.216 5.722 -3.731 1.00 1.62 O ATOM 1051 CB GLU B 128 4.885 4.229 -1.975 1.00 1.35 C ATOM 1052 CG GLU B 128 5.870 4.681 -0.914 1.00 1.46 C ATOM 1053 CD GLU B 128 5.676 6.124 -0.498 1.00 1.46 C ATOM 1054 OE1 GLU B 128 6.480 6.978 -0.913 1.00 2.01 O ATOM 1055 OE2 GLU B 128 4.726 6.405 0.261 1.00 1.95 O ATOM 0 H GLU B 128 3.343 3.836 -3.853 1.00 1.12 H new ATOM 0 HA GLU B 128 4.802 6.093 -3.025 1.00 1.31 H new ATOM 0 HB2 GLU B 128 3.875 4.293 -1.571 1.00 1.35 H new ATOM 0 HB3 GLU B 128 5.070 3.180 -2.206 1.00 1.35 H new ATOM 0 HG2 GLU B 128 5.770 4.040 -0.038 1.00 1.46 H new ATOM 0 HG3 GLU B 128 6.885 4.551 -1.290 1.00 1.46 H new ATOM 1062 N ILE B 129 6.491 3.813 -4.663 1.00 1.24 N ATOM 1063 CA ILE B 129 7.735 3.578 -5.369 1.00 1.42 C ATOM 1064 C ILE B 129 7.961 4.661 -6.419 1.00 1.64 C ATOM 1065 O ILE B 129 9.074 5.165 -6.570 1.00 1.92 O ATOM 1066 CB ILE B 129 7.761 2.180 -6.017 1.00 1.32 C ATOM 1067 CG1 ILE B 129 7.791 1.118 -4.922 1.00 1.14 C ATOM 1068 CG2 ILE B 129 8.956 2.020 -6.946 1.00 1.59 C ATOM 1069 CD1 ILE B 129 7.680 -0.289 -5.443 1.00 1.01 C ATOM 0 H ILE B 129 5.778 3.098 -4.807 1.00 1.24 H new ATOM 0 HA ILE B 129 8.546 3.619 -4.642 1.00 1.42 H new ATOM 0 HB ILE B 129 6.861 2.059 -6.620 1.00 1.32 H new ATOM 0 HG12 ILE B 129 8.719 1.216 -4.359 1.00 1.14 H new ATOM 0 HG13 ILE B 129 6.974 1.304 -4.225 1.00 1.14 H new ATOM 0 HG21 ILE B 129 8.944 1.023 -7.386 1.00 1.59 H new ATOM 0 HG22 ILE B 129 8.904 2.767 -7.738 1.00 1.59 H new ATOM 0 HG23 ILE B 129 9.878 2.155 -6.380 1.00 1.59 H new ATOM 0 HD11 ILE B 129 7.708 -0.989 -4.608 1.00 1.01 H new ATOM 0 HD12 ILE B 129 6.739 -0.404 -5.982 1.00 1.01 H new ATOM 0 HD13 ILE B 129 8.512 -0.494 -6.117 1.00 1.01 H new ATOM 1081 N GLU B 130 6.891 5.038 -7.118 1.00 1.55 N ATOM 1082 CA GLU B 130 6.951 6.127 -8.086 1.00 1.76 C ATOM 1083 C GLU B 130 7.431 7.409 -7.413 1.00 1.94 C ATOM 1084 O GLU B 130 8.262 8.129 -7.952 1.00 2.19 O ATOM 1085 CB GLU B 130 5.577 6.369 -8.717 1.00 1.67 C ATOM 1086 CG GLU B 130 5.081 5.221 -9.577 1.00 1.60 C ATOM 1087 CD GLU B 130 3.788 5.556 -10.293 1.00 1.81 C ATOM 1088 OE1 GLU B 130 2.712 5.098 -9.847 1.00 2.25 O ATOM 1089 OE2 GLU B 130 3.836 6.298 -11.297 1.00 2.16 O ATOM 0 H GLU B 130 5.972 4.603 -7.030 1.00 1.55 H new ATOM 0 HA GLU B 130 7.655 5.843 -8.868 1.00 1.76 H new ATOM 0 HB2 GLU B 130 4.852 6.555 -7.924 1.00 1.67 H new ATOM 0 HB3 GLU B 130 5.622 7.272 -9.326 1.00 1.67 H new ATOM 0 HG2 GLU B 130 5.844 4.964 -10.311 1.00 1.60 H new ATOM 0 HG3 GLU B 130 4.930 4.341 -8.952 1.00 1.60 H new ATOM 1096 N LYS B 131 6.918 7.659 -6.214 1.00 1.85 N ATOM 1097 CA LYS B 131 7.260 8.852 -5.446 1.00 2.07 C ATOM 1098 C LYS B 131 8.757 8.939 -5.167 1.00 2.28 C ATOM 1099 O LYS B 131 9.381 9.972 -5.413 1.00 2.53 O ATOM 1100 CB LYS B 131 6.469 8.870 -4.134 1.00 2.03 C ATOM 1101 CG LYS B 131 7.008 9.837 -3.090 1.00 2.33 C ATOM 1102 CD LYS B 131 6.063 9.950 -1.908 1.00 2.59 C ATOM 1103 CE LYS B 131 6.802 10.295 -0.625 1.00 3.17 C ATOM 1104 NZ LYS B 131 7.686 9.184 -0.182 1.00 3.73 N ATOM 0 H LYS B 131 6.254 7.042 -5.747 1.00 1.85 H new ATOM 0 HA LYS B 131 6.991 9.723 -6.043 1.00 2.07 H new ATOM 0 HB2 LYS B 131 5.433 9.129 -4.352 1.00 2.03 H new ATOM 0 HB3 LYS B 131 6.464 7.865 -3.713 1.00 2.03 H new ATOM 0 HG2 LYS B 131 7.985 9.498 -2.747 1.00 2.33 H new ATOM 0 HG3 LYS B 131 7.151 10.819 -3.540 1.00 2.33 H new ATOM 0 HD2 LYS B 131 5.314 10.715 -2.113 1.00 2.59 H new ATOM 0 HD3 LYS B 131 5.529 9.009 -1.778 1.00 2.59 H new ATOM 0 HE2 LYS B 131 7.398 11.194 -0.779 1.00 3.17 H new ATOM 0 HE3 LYS B 131 6.081 10.521 0.160 1.00 3.17 H new ATOM 0 HZ1 LYS B 131 7.621 9.079 0.851 1.00 3.73 H new ATOM 0 HZ2 LYS B 131 7.387 8.299 -0.640 1.00 3.73 H new ATOM 0 HZ3 LYS B 131 8.669 9.396 -0.447 1.00 3.73 H new ATOM 1118 N ILE B 132 9.336 7.855 -4.677 1.00 2.21 N ATOM 1119 CA ILE B 132 10.751 7.848 -4.337 1.00 2.47 C ATOM 1120 C ILE B 132 11.624 7.847 -5.591 1.00 2.68 C ATOM 1121 O ILE B 132 12.667 8.500 -5.629 1.00 2.98 O ATOM 1122 CB ILE B 132 11.110 6.632 -3.469 1.00 2.40 C ATOM 1123 CG1 ILE B 132 10.014 6.384 -2.434 1.00 2.18 C ATOM 1124 CG2 ILE B 132 12.448 6.853 -2.776 1.00 2.72 C ATOM 1125 CD1 ILE B 132 10.325 5.258 -1.483 1.00 2.19 C ATOM 0 H ILE B 132 8.852 6.973 -4.506 1.00 2.21 H new ATOM 0 HA ILE B 132 10.945 8.759 -3.771 1.00 2.47 H new ATOM 0 HB ILE B 132 11.192 5.755 -4.112 1.00 2.40 H new ATOM 0 HG12 ILE B 132 9.853 7.298 -1.862 1.00 2.18 H new ATOM 0 HG13 ILE B 132 9.080 6.164 -2.952 1.00 2.18 H new ATOM 0 HG21 ILE B 132 12.689 5.983 -2.165 1.00 2.72 H new ATOM 0 HG22 ILE B 132 13.226 6.997 -3.525 1.00 2.72 H new ATOM 0 HG23 ILE B 132 12.387 7.737 -2.141 1.00 2.72 H new ATOM 0 HD11 ILE B 132 9.503 5.140 -0.777 1.00 2.19 H new ATOM 0 HD12 ILE B 132 10.457 4.333 -2.045 1.00 2.19 H new ATOM 0 HD13 ILE B 132 11.241 5.485 -0.938 1.00 2.19 H new ATOM 1137 N GLN B 133 11.187 7.119 -6.614 1.00 2.56 N ATOM 1138 CA GLN B 133 11.948 7.021 -7.858 1.00 2.81 C ATOM 1139 C GLN B 133 11.895 8.323 -8.653 1.00 2.97 C ATOM 1140 O GLN B 133 12.771 8.587 -9.477 1.00 3.27 O ATOM 1141 CB GLN B 133 11.445 5.865 -8.726 1.00 2.72 C ATOM 1142 CG GLN B 133 11.745 4.488 -8.155 1.00 2.73 C ATOM 1143 CD GLN B 133 11.316 3.371 -9.087 1.00 2.94 C ATOM 1144 OE1 GLN B 133 10.356 3.510 -9.846 1.00 3.49 O ATOM 1145 NE2 GLN B 133 12.025 2.253 -9.037 1.00 2.90 N ATOM 0 H GLN B 133 10.315 6.590 -6.608 1.00 2.56 H new ATOM 0 HA GLN B 133 12.984 6.828 -7.580 1.00 2.81 H new ATOM 0 HB2 GLN B 133 10.368 5.965 -8.858 1.00 2.72 H new ATOM 0 HB3 GLN B 133 11.896 5.943 -9.715 1.00 2.72 H new ATOM 0 HG2 GLN B 133 12.814 4.404 -7.959 1.00 2.73 H new ATOM 0 HG3 GLN B 133 11.235 4.375 -7.198 1.00 2.73 H new ATOM 0 HE21 GLN B 133 12.813 2.177 -8.394 1.00 2.90 H new ATOM 0 HE22 GLN B 133 11.782 1.468 -9.641 1.00 2.90 H new ATOM 1154 N LYS B 134 10.865 9.129 -8.415 1.00 2.82 N ATOM 1155 CA LYS B 134 10.722 10.411 -9.098 1.00 3.02 C ATOM 1156 C LYS B 134 11.851 11.358 -8.755 1.00 3.29 C ATOM 1157 O LYS B 134 12.370 12.063 -9.620 1.00 3.54 O ATOM 1158 CB LYS B 134 9.413 11.094 -8.722 1.00 2.88 C ATOM 1159 CG LYS B 134 8.225 10.631 -9.526 1.00 2.84 C ATOM 1160 CD LYS B 134 7.016 11.503 -9.252 1.00 2.90 C ATOM 1161 CE LYS B 134 6.473 11.295 -7.848 1.00 3.30 C ATOM 1162 NZ LYS B 134 5.210 12.046 -7.624 1.00 3.82 N ATOM 0 H LYS B 134 10.117 8.918 -7.755 1.00 2.82 H new ATOM 0 HA LYS B 134 10.739 10.189 -10.165 1.00 3.02 H new ATOM 0 HB2 LYS B 134 9.214 10.918 -7.665 1.00 2.88 H new ATOM 0 HB3 LYS B 134 9.527 12.170 -8.850 1.00 2.88 H new ATOM 0 HG2 LYS B 134 8.466 10.660 -10.589 1.00 2.84 H new ATOM 0 HG3 LYS B 134 7.995 9.595 -9.279 1.00 2.84 H new ATOM 0 HD2 LYS B 134 7.286 12.551 -9.385 1.00 2.90 H new ATOM 0 HD3 LYS B 134 6.236 11.280 -9.980 1.00 2.90 H new ATOM 0 HE2 LYS B 134 6.298 10.232 -7.681 1.00 3.30 H new ATOM 0 HE3 LYS B 134 7.219 11.614 -7.120 1.00 3.30 H new ATOM 0 HZ1 LYS B 134 4.873 11.877 -6.655 1.00 3.82 H new ATOM 0 HZ2 LYS B 134 5.382 13.063 -7.759 1.00 3.82 H new ATOM 0 HZ3 LYS B 134 4.490 11.724 -8.302 1.00 3.82 H new ATOM 1176 N GLY B 135 12.224 11.378 -7.493 1.00 3.29 N ATOM 1177 CA GLY B 135 13.157 12.371 -7.037 1.00 3.59 C ATOM 1178 C GLY B 135 14.598 11.939 -7.214 1.00 4.02 C ATOM 1179 O GLY B 135 14.879 10.728 -7.119 1.00 4.46 O ATOM 1180 OXT GLY B 135 15.457 12.808 -7.463 1.00 4.40 O ATOM 0 H GLY B 135 11.898 10.727 -6.779 1.00 3.29 H new ATOM 0 HA2 GLY B 135 12.990 13.299 -7.583 1.00 3.59 H new ATOM 0 HA3 GLY B 135 12.971 12.583 -5.984 1.00 3.59 H new TER 1184 GLY B 135