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+ 165:sc= 1.28 (180deg=-0.00326) USER MOD Set 1.2: B 126 THR OG1 : rot 86:sc= 2.27 USER MOD Set 2.1: B 120 HIS : +bothHN:sc= -0.462 K(o=0.099,f=-8.6!) USER MOD Set 2.2: B 123 GLN : amide:sc= 0.561 K(o=0.099,f=-4.7!) USER MOD Set 3.1: A 120 HIS : +bothHN:sc= -0.972 K(o=-0.4,f=-9!) USER MOD Set 3.2: A 123 GLN : amide:sc= 0.575 K(o=-0.4,f=-5.2!) USER MOD Set 4.1: A 111 LYS NZ :NH3+ 164:sc= 1.24 (180deg=-0.00106) USER MOD Set 4.2: A 126 THR OG1 : rot 76:sc= 2.37 USER MOD Single : A 101 ASN :FLIP amide:sc= 0 F(o=-0.72,f=0) USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 TYR OH : rot 140:sc= -0.808 USER MOD Single : A 108 MET CE :methyl 140:sc= -0.641 (180deg=-2.33) USER MOD Single : A 113 SER OG : rot 85:sc= 0.728 USER MOD Single : A 117 SER OG : rot 93:sc= 1.29 USER MOD Single : A 119 THR OG1 : rot 180:sc= 0 USER MOD Single : A 122 MET CE :methyl 176:sc= -9.24! (180deg=-9.66!) USER MOD Single : A 131 LYS NZ :NH3+ -171:sc= 2.42 (180deg=2.15) USER MOD Single : A 133 GLN : amide:sc= -1.66! C(o=-1.7!,f=-6.6!) USER MOD Single : A 134 LYS NZ :NH3+ -163:sc= 1.17 (180deg=0.942) USER MOD Single : B 101 ASN :FLIP amide:sc= 0 F(o=-0.78,f=0) USER MOD Single : B 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 103 TYR OH : rot 130:sc= -0.848 USER MOD Single : B 108 MET CE :methyl 142:sc= -0.681 (180deg=-2.37) USER MOD Single : B 113 SER OG : rot 85:sc= 0.684 USER MOD Single : B 117 SER OG : rot 94:sc= 1.25 USER MOD Single : B 119 THR OG1 : rot 180:sc= 0 USER MOD Single : B 122 MET CE :methyl 175:sc= -9.34! (180deg=-9.4!) USER MOD Single : B 131 LYS NZ :NH3+ -170:sc= 2.48 (180deg=2.26) USER MOD Single : B 133 GLN : amide:sc= -1.77! C(o=-1.8!,f=-6.7!) USER MOD Single : B 134 LYS NZ :NH3+ -168:sc= 1.18 (180deg=0.742) USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 99 -15.038 6.017 -5.861 1.00 4.97 N ATOM 2 CA PRO A 99 -15.503 6.718 -4.668 1.00 4.83 C ATOM 3 C PRO A 99 -14.876 6.140 -3.409 1.00 4.33 C ATOM 4 O PRO A 99 -14.953 4.933 -3.164 1.00 4.07 O ATOM 5 CB PRO A 99 -17.018 6.488 -4.670 1.00 5.14 C ATOM 6 CG PRO A 99 -17.223 5.279 -5.513 1.00 5.27 C ATOM 7 CD PRO A 99 -16.126 5.298 -6.538 1.00 5.29 C ATOM 0 HA PRO A 99 -15.234 7.774 -4.678 1.00 4.83 H new ATOM 0 HB2 PRO A 99 -17.395 6.333 -3.659 1.00 5.14 H new ATOM 0 HB3 PRO A 99 -17.547 7.349 -5.079 1.00 5.14 H new ATOM 0 HG2 PRO A 99 -17.179 4.371 -4.911 1.00 5.27 H new ATOM 0 HG3 PRO A 99 -18.203 5.298 -5.990 1.00 5.27 H new ATOM 0 HD2 PRO A 99 -15.825 4.290 -6.823 1.00 5.29 H new ATOM 0 HD3 PRO A 99 -16.437 5.807 -7.450 1.00 5.29 H new ATOM 15 N GLU A 100 -14.265 7.006 -2.615 1.00 4.31 N ATOM 16 CA GLU A 100 -13.563 6.579 -1.410 1.00 4.02 C ATOM 17 C GLU A 100 -14.527 5.946 -0.408 1.00 3.83 C ATOM 18 O GLU A 100 -14.115 5.211 0.489 1.00 3.64 O ATOM 19 CB GLU A 100 -12.787 7.740 -0.787 1.00 4.28 C ATOM 20 CG GLU A 100 -11.725 8.296 -1.724 1.00 4.51 C ATOM 21 CD GLU A 100 -10.682 9.139 -1.023 1.00 4.77 C ATOM 22 OE1 GLU A 100 -10.970 10.311 -0.702 1.00 4.99 O ATOM 23 OE2 GLU A 100 -9.555 8.641 -0.819 1.00 5.13 O ATOM 0 H GLU A 100 -14.240 8.012 -2.782 1.00 4.31 H new ATOM 0 HA GLU A 100 -12.839 5.815 -1.694 1.00 4.02 H new ATOM 0 HB2 GLU A 100 -13.482 8.535 -0.517 1.00 4.28 H new ATOM 0 HB3 GLU A 100 -12.314 7.404 0.136 1.00 4.28 H new ATOM 0 HG2 GLU A 100 -11.230 7.468 -2.231 1.00 4.51 H new ATOM 0 HG3 GLU A 100 -12.210 8.897 -2.493 1.00 4.51 H new ATOM 30 N ASN A 101 -15.810 6.230 -0.592 1.00 4.05 N ATOM 31 CA ASN A 101 -16.859 5.586 0.193 1.00 4.10 C ATOM 32 C ASN A 101 -16.803 4.065 0.047 1.00 3.98 C ATOM 33 O ASN A 101 -17.014 3.331 1.010 1.00 4.07 O ATOM 34 CB ASN A 101 -18.236 6.095 -0.234 1.00 4.55 C ATOM 35 CG ASN A 101 -19.358 5.561 0.644 1.00 4.76 C ATOM 36 OD1 ASN A 101 -19.108 5.454 1.943 1.00 5.19 O flip ATOM 37 ND2 ASN A 101 -20.451 5.274 0.160 1.00 4.68 N flip ATOM 0 H ASN A 101 -16.151 6.903 -1.279 1.00 4.05 H new ATOM 0 HA ASN A 101 -16.692 5.839 1.240 1.00 4.10 H new ATOM 0 HB2 ASN A 101 -18.242 7.185 -0.202 1.00 4.55 H new ATOM 0 HB3 ASN A 101 -18.421 5.806 -1.269 1.00 4.55 H new ATOM 0 HD21 ASN A 101 -20.605 5.369 -0.844 1.00 4.68 H new ATOM 0 HD22 ASN A 101 -21.204 4.940 0.762 1.00 4.68 H new ATOM 44 N LYS A 102 -16.493 3.594 -1.156 1.00 3.93 N ATOM 45 CA LYS A 102 -16.434 2.164 -1.429 1.00 3.87 C ATOM 46 C LYS A 102 -14.996 1.678 -1.546 1.00 3.43 C ATOM 47 O LYS A 102 -14.722 0.482 -1.447 1.00 3.32 O ATOM 48 CB LYS A 102 -17.206 1.862 -2.708 1.00 4.20 C ATOM 49 CG LYS A 102 -18.705 2.047 -2.549 1.00 4.62 C ATOM 50 CD LYS A 102 -19.449 1.715 -3.826 1.00 5.18 C ATOM 51 CE LYS A 102 -20.948 1.847 -3.632 1.00 5.68 C ATOM 52 NZ LYS A 102 -21.704 1.461 -4.851 1.00 6.27 N ATOM 0 H LYS A 102 -16.278 4.184 -1.960 1.00 3.93 H new ATOM 0 HA LYS A 102 -16.890 1.632 -0.594 1.00 3.87 H new ATOM 0 HB2 LYS A 102 -16.847 2.512 -3.506 1.00 4.20 H new ATOM 0 HB3 LYS A 102 -17.002 0.837 -3.017 1.00 4.20 H new ATOM 0 HG2 LYS A 102 -19.067 1.411 -1.741 1.00 4.62 H new ATOM 0 HG3 LYS A 102 -18.916 3.077 -2.262 1.00 4.62 H new ATOM 0 HD2 LYS A 102 -19.122 2.380 -4.625 1.00 5.18 H new ATOM 0 HD3 LYS A 102 -19.207 0.699 -4.138 1.00 5.18 H new ATOM 0 HE2 LYS A 102 -21.262 1.220 -2.797 1.00 5.68 H new ATOM 0 HE3 LYS A 102 -21.190 2.876 -3.366 1.00 5.68 H new ATOM 0 HZ1 LYS A 102 -22.724 1.566 -4.675 1.00 6.27 H new ATOM 0 HZ2 LYS A 102 -21.424 2.075 -5.642 1.00 6.27 H new ATOM 0 HZ3 LYS A 102 -21.494 0.471 -5.091 1.00 6.27 H new ATOM 66 N TYR A 103 -14.088 2.603 -1.783 1.00 3.24 N ATOM 67 CA TYR A 103 -12.657 2.333 -1.778 1.00 2.85 C ATOM 68 C TYR A 103 -12.194 1.920 -0.380 1.00 2.57 C ATOM 69 O TYR A 103 -11.244 1.151 -0.231 1.00 2.28 O ATOM 70 CB TYR A 103 -11.945 3.604 -2.236 1.00 2.82 C ATOM 71 CG TYR A 103 -10.438 3.602 -2.167 1.00 2.56 C ATOM 72 CD1 TYR A 103 -9.667 2.782 -2.976 1.00 2.69 C ATOM 73 CD2 TYR A 103 -9.789 4.473 -1.306 1.00 2.76 C ATOM 74 CE1 TYR A 103 -8.286 2.830 -2.921 1.00 2.58 C ATOM 75 CE2 TYR A 103 -8.416 4.527 -1.237 1.00 2.65 C ATOM 76 CZ TYR A 103 -7.664 3.702 -2.049 1.00 2.31 C ATOM 77 OH TYR A 103 -6.289 3.756 -2.006 1.00 2.31 O ATOM 0 H TYR A 103 -14.321 3.575 -1.987 1.00 3.24 H new ATOM 0 HA TYR A 103 -12.421 1.509 -2.451 1.00 2.85 H new ATOM 0 HB2 TYR A 103 -12.238 3.805 -3.267 1.00 2.82 H new ATOM 0 HB3 TYR A 103 -12.312 4.435 -1.633 1.00 2.82 H new ATOM 0 HD1 TYR A 103 -10.150 2.098 -3.657 1.00 2.69 H new ATOM 0 HD2 TYR A 103 -10.375 5.125 -0.675 1.00 2.76 H new ATOM 0 HE1 TYR A 103 -7.696 2.188 -3.558 1.00 2.58 H new ATOM 0 HE2 TYR A 103 -7.931 5.209 -0.554 1.00 2.65 H new ATOM 0 HH TYR A 103 -6.001 4.688 -1.914 1.00 2.31 H new ATOM 87 N LEU A 104 -12.885 2.422 0.644 1.00 2.70 N ATOM 88 CA LEU A 104 -12.534 2.155 2.034 1.00 2.55 C ATOM 89 C LEU A 104 -12.663 0.664 2.384 1.00 2.53 C ATOM 90 O LEU A 104 -11.700 0.062 2.860 1.00 2.25 O ATOM 91 CB LEU A 104 -13.410 3.003 2.966 1.00 2.85 C ATOM 92 CG LEU A 104 -13.213 2.761 4.464 1.00 2.83 C ATOM 93 CD1 LEU A 104 -11.797 3.122 4.880 1.00 2.46 C ATOM 94 CD2 LEU A 104 -14.230 3.566 5.261 1.00 3.18 C ATOM 0 H LEU A 104 -13.701 3.023 0.531 1.00 2.70 H new ATOM 0 HA LEU A 104 -11.488 2.429 2.172 1.00 2.55 H new ATOM 0 HB2 LEU A 104 -13.217 4.055 2.758 1.00 2.85 H new ATOM 0 HB3 LEU A 104 -14.456 2.817 2.721 1.00 2.85 H new ATOM 0 HG LEU A 104 -13.368 1.702 4.672 1.00 2.83 H new ATOM 0 HD11 LEU A 104 -11.675 2.944 5.948 1.00 2.46 H new ATOM 0 HD12 LEU A 104 -11.087 2.508 4.326 1.00 2.46 H new ATOM 0 HD13 LEU A 104 -11.612 4.174 4.664 1.00 2.46 H new ATOM 0 HD21 LEU A 104 -14.082 3.387 6.326 1.00 3.18 H new ATOM 0 HD22 LEU A 104 -14.100 4.627 5.050 1.00 3.18 H new ATOM 0 HD23 LEU A 104 -15.238 3.261 4.979 1.00 3.18 H new ATOM 106 N PRO A 105 -13.842 0.035 2.165 1.00 2.88 N ATOM 107 CA PRO A 105 -14.026 -1.390 2.460 1.00 2.95 C ATOM 108 C PRO A 105 -13.104 -2.266 1.620 1.00 2.65 C ATOM 109 O PRO A 105 -12.720 -3.358 2.035 1.00 2.62 O ATOM 110 CB PRO A 105 -15.496 -1.651 2.122 1.00 3.43 C ATOM 111 CG PRO A 105 -15.850 -0.561 1.176 1.00 3.51 C ATOM 112 CD PRO A 105 -15.081 0.635 1.646 1.00 3.28 C ATOM 0 HA PRO A 105 -13.782 -1.631 3.495 1.00 2.95 H new ATOM 0 HB2 PRO A 105 -15.632 -2.633 1.668 1.00 3.43 H new ATOM 0 HB3 PRO A 105 -16.121 -1.623 3.014 1.00 3.43 H new ATOM 0 HG2 PRO A 105 -15.581 -0.825 0.153 1.00 3.51 H new ATOM 0 HG3 PRO A 105 -16.923 -0.367 1.183 1.00 3.51 H new ATOM 0 HD2 PRO A 105 -14.883 1.335 0.834 1.00 3.28 H new ATOM 0 HD3 PRO A 105 -15.619 1.186 2.418 1.00 3.28 H new ATOM 120 N GLU A 106 -12.757 -1.788 0.433 1.00 2.53 N ATOM 121 CA GLU A 106 -11.779 -2.465 -0.398 1.00 2.35 C ATOM 122 C GLU A 106 -10.437 -2.531 0.325 1.00 1.89 C ATOM 123 O GLU A 106 -9.798 -3.579 0.387 1.00 1.84 O ATOM 124 CB GLU A 106 -11.595 -1.697 -1.706 1.00 2.43 C ATOM 125 CG GLU A 106 -12.798 -1.732 -2.630 1.00 2.88 C ATOM 126 CD GLU A 106 -12.595 -2.661 -3.806 1.00 3.32 C ATOM 127 OE1 GLU A 106 -11.674 -2.401 -4.616 1.00 3.62 O ATOM 128 OE2 GLU A 106 -13.364 -3.633 -3.944 1.00 3.70 O ATOM 0 H GLU A 106 -13.140 -0.934 0.027 1.00 2.53 H new ATOM 0 HA GLU A 106 -12.134 -3.474 -0.606 1.00 2.35 H new ATOM 0 HB2 GLU A 106 -11.362 -0.658 -1.473 1.00 2.43 H new ATOM 0 HB3 GLU A 106 -10.734 -2.106 -2.235 1.00 2.43 H new ATOM 0 HG2 GLU A 106 -13.676 -2.049 -2.067 1.00 2.88 H new ATOM 0 HG3 GLU A 106 -13.001 -0.726 -2.996 1.00 2.88 H new ATOM 135 N LEU A 107 -10.036 -1.398 0.890 1.00 1.63 N ATOM 136 CA LEU A 107 -8.771 -1.301 1.609 1.00 1.23 C ATOM 137 C LEU A 107 -8.766 -2.201 2.833 1.00 1.08 C ATOM 138 O LEU A 107 -7.808 -2.923 3.068 1.00 0.96 O ATOM 139 CB LEU A 107 -8.518 0.132 2.056 1.00 1.21 C ATOM 140 CG LEU A 107 -8.328 1.144 0.941 1.00 1.32 C ATOM 141 CD1 LEU A 107 -8.318 2.546 1.517 1.00 1.42 C ATOM 142 CD2 LEU A 107 -7.036 0.873 0.192 1.00 1.20 C ATOM 0 H LEU A 107 -10.571 -0.530 0.864 1.00 1.63 H new ATOM 0 HA LEU A 107 -7.984 -1.619 0.925 1.00 1.23 H new ATOM 0 HB2 LEU A 107 -9.356 0.454 2.675 1.00 1.21 H new ATOM 0 HB3 LEU A 107 -7.631 0.145 2.689 1.00 1.21 H new ATOM 0 HG LEU A 107 -9.157 1.054 0.238 1.00 1.32 H new ATOM 0 HD11 LEU A 107 -8.181 3.269 0.713 1.00 1.42 H new ATOM 0 HD12 LEU A 107 -9.265 2.739 2.021 1.00 1.42 H new ATOM 0 HD13 LEU A 107 -7.501 2.640 2.232 1.00 1.42 H new ATOM 0 HD21 LEU A 107 -6.916 1.608 -0.604 1.00 1.20 H new ATOM 0 HD22 LEU A 107 -6.194 0.943 0.881 1.00 1.20 H new ATOM 0 HD23 LEU A 107 -7.069 -0.127 -0.240 1.00 1.20 H new ATOM 154 N MET A 108 -9.851 -2.164 3.598 1.00 1.27 N ATOM 155 CA MET A 108 -9.946 -2.962 4.818 1.00 1.26 C ATOM 156 C MET A 108 -9.934 -4.454 4.504 1.00 1.17 C ATOM 157 O MET A 108 -9.359 -5.240 5.250 1.00 1.13 O ATOM 158 CB MET A 108 -11.196 -2.590 5.632 1.00 1.64 C ATOM 159 CG MET A 108 -12.517 -2.966 4.991 1.00 1.96 C ATOM 160 SD MET A 108 -13.940 -2.439 5.969 1.00 2.39 S ATOM 161 CE MET A 108 -13.642 -0.676 6.088 1.00 2.67 C ATOM 0 H MET A 108 -10.673 -1.594 3.398 1.00 1.27 H new ATOM 0 HA MET A 108 -9.069 -2.736 5.424 1.00 1.26 H new ATOM 0 HB2 MET A 108 -11.133 -3.073 6.607 1.00 1.64 H new ATOM 0 HB3 MET A 108 -11.189 -1.514 5.808 1.00 1.64 H new ATOM 0 HG2 MET A 108 -12.576 -2.517 4.000 1.00 1.96 H new ATOM 0 HG3 MET A 108 -12.555 -4.047 4.854 1.00 1.96 H new ATOM 0 HE1 MET A 108 -14.585 -0.140 5.982 1.00 2.67 H new ATOM 0 HE2 MET A 108 -13.201 -0.446 7.058 1.00 2.67 H new ATOM 0 HE3 MET A 108 -12.959 -0.368 5.297 1.00 2.67 H new ATOM 171 N ALA A 109 -10.550 -4.840 3.392 1.00 1.27 N ATOM 172 CA ALA A 109 -10.583 -6.245 3.004 1.00 1.30 C ATOM 173 C ALA A 109 -9.196 -6.725 2.581 1.00 0.99 C ATOM 174 O ALA A 109 -8.740 -7.786 3.013 1.00 1.01 O ATOM 175 CB ALA A 109 -11.604 -6.473 1.896 1.00 1.60 C ATOM 0 H ALA A 109 -11.028 -4.208 2.750 1.00 1.27 H new ATOM 0 HA ALA A 109 -10.889 -6.832 3.870 1.00 1.30 H new ATOM 0 HB1 ALA A 109 -11.613 -7.528 1.621 1.00 1.60 H new ATOM 0 HB2 ALA A 109 -12.594 -6.181 2.247 1.00 1.60 H new ATOM 0 HB3 ALA A 109 -11.337 -5.873 1.026 1.00 1.60 H new ATOM 181 N GLU A 110 -8.524 -5.937 1.752 1.00 0.80 N ATOM 182 CA GLU A 110 -7.161 -6.268 1.342 1.00 0.62 C ATOM 183 C GLU A 110 -6.232 -6.201 2.552 1.00 0.45 C ATOM 184 O GLU A 110 -5.351 -7.029 2.729 1.00 0.55 O ATOM 185 CB GLU A 110 -6.668 -5.311 0.254 1.00 0.56 C ATOM 186 CG GLU A 110 -7.421 -5.433 -1.063 1.00 0.60 C ATOM 187 CD GLU A 110 -6.862 -4.524 -2.142 1.00 0.83 C ATOM 188 OE1 GLU A 110 -5.640 -4.301 -2.157 1.00 1.49 O ATOM 189 OE2 GLU A 110 -7.641 -4.043 -2.992 1.00 1.48 O ATOM 0 H GLU A 110 -8.893 -5.074 1.353 1.00 0.80 H new ATOM 0 HA GLU A 110 -7.158 -7.279 0.933 1.00 0.62 H new ATOM 0 HB2 GLU A 110 -6.756 -4.287 0.618 1.00 0.56 H new ATOM 0 HB3 GLU A 110 -5.609 -5.496 0.074 1.00 0.56 H new ATOM 0 HG2 GLU A 110 -7.379 -6.467 -1.407 1.00 0.60 H new ATOM 0 HG3 GLU A 110 -8.472 -5.193 -0.900 1.00 0.60 H new ATOM 196 N LYS A 111 -6.479 -5.197 3.376 1.00 0.41 N ATOM 197 CA LYS A 111 -5.690 -5.028 4.593 1.00 0.46 C ATOM 198 C LYS A 111 -5.824 -6.246 5.508 1.00 0.47 C ATOM 199 O LYS A 111 -4.830 -6.777 5.998 1.00 0.52 O ATOM 200 CB LYS A 111 -6.098 -3.749 5.335 1.00 0.63 C ATOM 201 CG LYS A 111 -5.635 -3.702 6.783 1.00 0.79 C ATOM 202 CD LYS A 111 -6.038 -2.400 7.454 1.00 0.89 C ATOM 203 CE LYS A 111 -5.792 -2.430 8.954 1.00 1.15 C ATOM 204 NZ LYS A 111 -4.353 -2.616 9.286 1.00 1.89 N ATOM 0 H LYS A 111 -7.206 -4.496 3.232 1.00 0.41 H new ATOM 0 HA LYS A 111 -4.644 -4.936 4.302 1.00 0.46 H new ATOM 0 HB2 LYS A 111 -5.691 -2.888 4.805 1.00 0.63 H new ATOM 0 HB3 LYS A 111 -7.184 -3.656 5.308 1.00 0.63 H new ATOM 0 HG2 LYS A 111 -6.062 -4.542 7.330 1.00 0.79 H new ATOM 0 HG3 LYS A 111 -4.551 -3.813 6.824 1.00 0.79 H new ATOM 0 HD2 LYS A 111 -5.478 -1.576 7.012 1.00 0.89 H new ATOM 0 HD3 LYS A 111 -7.094 -2.206 7.264 1.00 0.89 H new ATOM 0 HE2 LYS A 111 -6.148 -1.500 9.397 1.00 1.15 H new ATOM 0 HE3 LYS A 111 -6.373 -3.238 9.399 1.00 1.15 H new ATOM 0 HZ1 LYS A 111 -4.191 -2.363 10.282 1.00 1.89 H new ATOM 0 HZ2 LYS A 111 -4.087 -3.610 9.133 1.00 1.89 H new ATOM 0 HZ3 LYS A 111 -3.774 -2.005 8.675 1.00 1.89 H new ATOM 218 N ASP A 112 -7.049 -6.692 5.725 1.00 0.49 N ATOM 219 CA ASP A 112 -7.303 -7.813 6.623 1.00 0.58 C ATOM 220 C ASP A 112 -6.802 -9.134 6.034 1.00 0.53 C ATOM 221 O ASP A 112 -6.437 -10.049 6.772 1.00 0.63 O ATOM 222 CB ASP A 112 -8.799 -7.915 6.927 1.00 0.72 C ATOM 223 CG ASP A 112 -9.098 -8.888 8.048 1.00 2.65 C ATOM 224 OD1 ASP A 112 -8.911 -8.516 9.227 1.00 3.03 O ATOM 225 OD2 ASP A 112 -9.546 -10.017 7.763 1.00 3.08 O ATOM 0 H ASP A 112 -7.885 -6.298 5.294 1.00 0.49 H new ATOM 0 HA ASP A 112 -6.754 -7.627 7.546 1.00 0.58 H new ATOM 0 HB2 ASP A 112 -9.180 -6.929 7.194 1.00 0.72 H new ATOM 0 HB3 ASP A 112 -9.329 -8.228 6.027 1.00 0.72 H new ATOM 230 N SER A 113 -6.764 -9.217 4.708 1.00 0.44 N ATOM 231 CA SER A 113 -6.392 -10.454 4.027 1.00 0.43 C ATOM 232 C SER A 113 -4.900 -10.500 3.677 1.00 0.35 C ATOM 233 O SER A 113 -4.343 -11.572 3.442 1.00 0.40 O ATOM 234 CB SER A 113 -7.225 -10.612 2.755 1.00 0.44 C ATOM 235 OG SER A 113 -8.612 -10.626 3.048 1.00 0.55 O ATOM 0 H SER A 113 -6.986 -8.442 4.083 1.00 0.44 H new ATOM 0 HA SER A 113 -6.592 -11.278 4.712 1.00 0.43 H new ATOM 0 HB2 SER A 113 -7.004 -9.794 2.069 1.00 0.44 H new ATOM 0 HB3 SER A 113 -6.948 -11.537 2.249 1.00 0.44 H new ATOM 0 HG SER A 113 -8.945 -9.706 3.100 1.00 0.55 H new ATOM 241 N LEU A 114 -4.261 -9.341 3.639 1.00 0.27 N ATOM 242 CA LEU A 114 -2.864 -9.245 3.233 1.00 0.23 C ATOM 243 C LEU A 114 -1.955 -9.824 4.308 1.00 0.27 C ATOM 244 O LEU A 114 -2.226 -9.692 5.504 1.00 0.31 O ATOM 245 CB LEU A 114 -2.500 -7.785 2.972 1.00 0.17 C ATOM 246 CG LEU A 114 -1.289 -7.558 2.064 1.00 0.14 C ATOM 247 CD1 LEU A 114 -1.663 -7.771 0.606 1.00 0.14 C ATOM 248 CD2 LEU A 114 -0.724 -6.166 2.262 1.00 0.16 C ATOM 0 H LEU A 114 -4.689 -8.448 3.885 1.00 0.27 H new ATOM 0 HA LEU A 114 -2.726 -9.819 2.317 1.00 0.23 H new ATOM 0 HB2 LEU A 114 -3.363 -7.288 2.528 1.00 0.17 H new ATOM 0 HB3 LEU A 114 -2.310 -7.300 3.929 1.00 0.17 H new ATOM 0 HG LEU A 114 -0.523 -8.285 2.335 1.00 0.14 H new ATOM 0 HD11 LEU A 114 -0.788 -7.605 -0.022 1.00 0.14 H new ATOM 0 HD12 LEU A 114 -2.020 -8.791 0.467 1.00 0.14 H new ATOM 0 HD13 LEU A 114 -2.449 -7.070 0.326 1.00 0.14 H new ATOM 0 HD21 LEU A 114 0.136 -6.026 1.607 1.00 0.16 H new ATOM 0 HD22 LEU A 114 -1.487 -5.426 2.022 1.00 0.16 H new ATOM 0 HD23 LEU A 114 -0.414 -6.044 3.300 1.00 0.16 H new ATOM 260 N ASP A 115 -0.889 -10.477 3.872 1.00 0.29 N ATOM 261 CA ASP A 115 0.057 -11.106 4.781 1.00 0.34 C ATOM 262 C ASP A 115 0.915 -10.050 5.470 1.00 0.33 C ATOM 263 O ASP A 115 1.479 -9.170 4.814 1.00 0.29 O ATOM 264 CB ASP A 115 0.948 -12.084 4.010 1.00 0.37 C ATOM 265 CG ASP A 115 1.696 -13.039 4.918 1.00 0.49 C ATOM 266 OD1 ASP A 115 2.566 -12.585 5.687 1.00 1.23 O ATOM 267 OD2 ASP A 115 1.415 -14.253 4.856 1.00 1.21 O ATOM 0 H ASP A 115 -0.656 -10.586 2.885 1.00 0.29 H new ATOM 0 HA ASP A 115 -0.499 -11.653 5.542 1.00 0.34 H new ATOM 0 HB2 ASP A 115 0.334 -12.657 3.315 1.00 0.37 H new ATOM 0 HB3 ASP A 115 1.665 -11.521 3.413 1.00 0.37 H new ATOM 272 N PRO A 116 1.029 -10.131 6.808 1.00 0.41 N ATOM 273 CA PRO A 116 1.783 -9.164 7.621 1.00 0.46 C ATOM 274 C PRO A 116 3.271 -9.122 7.277 1.00 0.42 C ATOM 275 O PRO A 116 3.971 -8.182 7.661 1.00 0.47 O ATOM 276 CB PRO A 116 1.582 -9.659 9.056 1.00 0.55 C ATOM 277 CG PRO A 116 1.237 -11.097 8.907 1.00 0.55 C ATOM 278 CD PRO A 116 0.427 -11.181 7.647 1.00 0.50 C ATOM 0 HA PRO A 116 1.431 -8.147 7.451 1.00 0.46 H new ATOM 0 HB2 PRO A 116 2.485 -9.527 9.652 1.00 0.55 H new ATOM 0 HB3 PRO A 116 0.786 -9.109 9.558 1.00 0.55 H new ATOM 0 HG2 PRO A 116 2.134 -11.712 8.839 1.00 0.55 H new ATOM 0 HG3 PRO A 116 0.668 -11.456 9.765 1.00 0.55 H new ATOM 0 HD2 PRO A 116 0.502 -12.164 7.182 1.00 0.50 H new ATOM 0 HD3 PRO A 116 -0.631 -10.995 7.832 1.00 0.50 H new ATOM 286 N SER A 117 3.757 -10.145 6.572 1.00 0.36 N ATOM 287 CA SER A 117 5.153 -10.183 6.150 1.00 0.37 C ATOM 288 C SER A 117 5.479 -8.990 5.254 1.00 0.38 C ATOM 289 O SER A 117 6.634 -8.581 5.133 1.00 0.56 O ATOM 290 CB SER A 117 5.459 -11.482 5.408 1.00 0.37 C ATOM 291 OG SER A 117 5.094 -12.605 6.186 1.00 1.30 O ATOM 0 H SER A 117 3.206 -10.953 6.284 1.00 0.36 H new ATOM 0 HA SER A 117 5.773 -10.133 7.045 1.00 0.37 H new ATOM 0 HB2 SER A 117 4.920 -11.500 4.461 1.00 0.37 H new ATOM 0 HB3 SER A 117 6.522 -11.529 5.171 1.00 0.37 H new ATOM 0 HG SER A 117 4.181 -12.879 5.957 1.00 1.30 H new ATOM 297 N PHE A 118 4.453 -8.422 4.641 1.00 0.28 N ATOM 298 CA PHE A 118 4.619 -7.234 3.820 1.00 0.32 C ATOM 299 C PHE A 118 4.325 -6.007 4.660 1.00 0.44 C ATOM 300 O PHE A 118 3.206 -5.497 4.665 1.00 0.94 O ATOM 301 CB PHE A 118 3.686 -7.281 2.614 1.00 0.27 C ATOM 302 CG PHE A 118 3.847 -8.516 1.784 1.00 0.23 C ATOM 303 CD1 PHE A 118 4.621 -8.498 0.641 1.00 1.22 C ATOM 304 CD2 PHE A 118 3.220 -9.695 2.147 1.00 1.21 C ATOM 305 CE1 PHE A 118 4.766 -9.631 -0.129 1.00 1.21 C ATOM 306 CE2 PHE A 118 3.362 -10.833 1.385 1.00 1.23 C ATOM 307 CZ PHE A 118 4.138 -10.803 0.243 1.00 0.28 C ATOM 0 H PHE A 118 3.494 -8.766 4.697 1.00 0.28 H new ATOM 0 HA PHE A 118 5.645 -7.191 3.454 1.00 0.32 H new ATOM 0 HB2 PHE A 118 2.654 -7.217 2.960 1.00 0.27 H new ATOM 0 HB3 PHE A 118 3.868 -6.406 1.989 1.00 0.27 H new ATOM 0 HD1 PHE A 118 5.118 -7.585 0.347 1.00 1.22 H new ATOM 0 HD2 PHE A 118 2.612 -9.723 3.039 1.00 1.21 H new ATOM 0 HE1 PHE A 118 5.371 -9.603 -1.023 1.00 1.21 H new ATOM 0 HE2 PHE A 118 2.868 -11.747 1.680 1.00 1.23 H new ATOM 0 HZ PHE A 118 4.253 -11.693 -0.357 1.00 0.28 H new ATOM 317 N THR A 119 5.338 -5.545 5.377 1.00 0.39 N ATOM 318 CA THR A 119 5.179 -4.456 6.323 1.00 0.39 C ATOM 319 C THR A 119 4.664 -3.185 5.653 1.00 0.42 C ATOM 320 O THR A 119 3.670 -2.611 6.085 1.00 0.45 O ATOM 321 CB THR A 119 6.508 -4.150 7.036 1.00 0.44 C ATOM 322 OG1 THR A 119 6.957 -5.312 7.751 1.00 0.48 O ATOM 323 CG2 THR A 119 6.355 -2.975 7.993 1.00 0.45 C ATOM 0 H THR A 119 6.287 -5.913 5.319 1.00 0.39 H new ATOM 0 HA THR A 119 4.439 -4.783 7.053 1.00 0.39 H new ATOM 0 HB THR A 119 7.248 -3.881 6.283 1.00 0.44 H new ATOM 0 HG1 THR A 119 7.804 -5.112 8.201 1.00 0.48 H new ATOM 0 HG21 THR A 119 7.308 -2.779 8.484 1.00 0.45 H new ATOM 0 HG22 THR A 119 6.045 -2.090 7.437 1.00 0.45 H new ATOM 0 HG23 THR A 119 5.602 -3.213 8.744 1.00 0.45 H new ATOM 331 N HIS A 120 5.337 -2.754 4.602 1.00 0.44 N ATOM 332 CA HIS A 120 5.005 -1.496 3.956 1.00 0.51 C ATOM 333 C HIS A 120 3.679 -1.590 3.214 1.00 0.47 C ATOM 334 O HIS A 120 2.887 -0.652 3.237 1.00 0.57 O ATOM 335 CB HIS A 120 6.132 -1.067 3.028 1.00 0.60 C ATOM 336 CG HIS A 120 7.423 -0.861 3.754 1.00 0.92 C ATOM 337 ND1 HIS A 120 7.554 -0.018 4.838 1.00 1.09 N ATOM 338 CD2 HIS A 120 8.633 -1.432 3.579 1.00 1.19 C ATOM 339 CE1 HIS A 120 8.791 -0.084 5.296 1.00 1.40 C ATOM 340 NE2 HIS A 120 9.469 -0.938 4.550 1.00 1.47 N ATOM 0 H HIS A 120 6.117 -3.256 4.177 1.00 0.44 H new ATOM 0 HA HIS A 120 4.889 -0.734 4.726 1.00 0.51 H new ATOM 0 HB2 HIS A 120 6.270 -1.823 2.255 1.00 0.60 H new ATOM 0 HB3 HIS A 120 5.851 -0.143 2.523 1.00 0.60 H new ATOM 0 HD1 HIS A 120 6.812 0.565 5.225 1.00 1.09 H new ATOM 0 HD2 HIS A 120 8.896 -2.148 2.814 1.00 1.19 H new ATOM 0 HE1 HIS A 120 9.182 0.467 6.138 1.00 1.40 H new ATOM 0 HE2 HIS A 120 10.450 -1.189 4.675 1.00 1.47 H new ATOM 349 N ALA A 121 3.440 -2.722 2.565 1.00 0.37 N ATOM 350 CA ALA A 121 2.165 -2.973 1.899 1.00 0.34 C ATOM 351 C ALA A 121 1.026 -2.895 2.900 1.00 0.38 C ATOM 352 O ALA A 121 -0.024 -2.310 2.639 1.00 0.47 O ATOM 353 CB ALA A 121 2.186 -4.333 1.224 1.00 0.27 C ATOM 0 H ALA A 121 4.113 -3.484 2.485 1.00 0.37 H new ATOM 0 HA ALA A 121 2.010 -2.209 1.137 1.00 0.34 H new ATOM 0 HB1 ALA A 121 1.230 -4.509 0.731 1.00 0.27 H new ATOM 0 HB2 ALA A 121 2.986 -4.360 0.484 1.00 0.27 H new ATOM 0 HB3 ALA A 121 2.357 -5.108 1.972 1.00 0.27 H new ATOM 359 N MET A 122 1.271 -3.466 4.065 1.00 0.35 N ATOM 360 CA MET A 122 0.303 -3.456 5.148 1.00 0.34 C ATOM 361 C MET A 122 0.166 -2.059 5.743 1.00 0.39 C ATOM 362 O MET A 122 -0.931 -1.626 6.104 1.00 0.41 O ATOM 363 CB MET A 122 0.717 -4.461 6.224 1.00 0.37 C ATOM 364 CG MET A 122 0.351 -5.899 5.902 1.00 0.38 C ATOM 365 SD MET A 122 -1.314 -6.346 6.431 1.00 0.49 S ATOM 366 CE MET A 122 -2.316 -5.195 5.498 1.00 0.63 C ATOM 0 H MET A 122 2.142 -3.948 4.287 1.00 0.35 H new ATOM 0 HA MET A 122 -0.669 -3.745 4.749 1.00 0.34 H new ATOM 0 HB2 MET A 122 1.795 -4.396 6.371 1.00 0.37 H new ATOM 0 HB3 MET A 122 0.249 -4.181 7.168 1.00 0.37 H new ATOM 0 HG2 MET A 122 0.438 -6.057 4.827 1.00 0.38 H new ATOM 0 HG3 MET A 122 1.068 -6.565 6.381 1.00 0.38 H new ATOM 0 HE1 MET A 122 -3.371 -5.406 5.674 1.00 0.63 H new ATOM 0 HE2 MET A 122 -2.092 -4.177 5.816 1.00 0.63 H new ATOM 0 HE3 MET A 122 -2.097 -5.300 4.435 1.00 0.63 H new ATOM 376 N GLN A 123 1.286 -1.364 5.831 1.00 0.44 N ATOM 377 CA GLN A 123 1.319 -0.013 6.373 1.00 0.53 C ATOM 378 C GLN A 123 0.607 0.976 5.447 1.00 0.54 C ATOM 379 O GLN A 123 -0.187 1.797 5.909 1.00 0.62 O ATOM 380 CB GLN A 123 2.770 0.401 6.651 1.00 0.65 C ATOM 381 CG GLN A 123 3.024 1.897 6.650 1.00 0.83 C ATOM 382 CD GLN A 123 4.507 2.227 6.655 1.00 1.12 C ATOM 383 OE1 GLN A 123 5.331 1.469 6.127 1.00 1.60 O ATOM 384 NE2 GLN A 123 4.859 3.359 7.240 1.00 1.76 N ATOM 0 H GLN A 123 2.195 -1.716 5.531 1.00 0.44 H new ATOM 0 HA GLN A 123 0.776 0.001 7.318 1.00 0.53 H new ATOM 0 HB2 GLN A 123 3.067 -0.002 7.619 1.00 0.65 H new ATOM 0 HB3 GLN A 123 3.413 -0.062 5.902 1.00 0.65 H new ATOM 0 HG2 GLN A 123 2.557 2.343 5.771 1.00 0.83 H new ATOM 0 HG3 GLN A 123 2.551 2.345 7.524 1.00 0.83 H new ATOM 0 HE21 GLN A 123 4.149 3.956 7.664 1.00 1.76 H new ATOM 0 HE22 GLN A 123 5.841 3.635 7.268 1.00 1.76 H new ATOM 393 N LEU A 124 0.859 0.885 4.151 1.00 0.49 N ATOM 394 CA LEU A 124 0.252 1.813 3.203 1.00 0.50 C ATOM 395 C LEU A 124 -1.259 1.606 3.135 1.00 0.45 C ATOM 396 O LEU A 124 -2.021 2.566 3.016 1.00 0.52 O ATOM 397 CB LEU A 124 0.907 1.686 1.829 1.00 0.50 C ATOM 398 CG LEU A 124 2.396 2.037 1.800 1.00 0.56 C ATOM 399 CD1 LEU A 124 3.038 1.551 0.511 1.00 0.49 C ATOM 400 CD2 LEU A 124 2.592 3.538 1.960 1.00 0.83 C ATOM 0 H LEU A 124 1.473 0.186 3.732 1.00 0.49 H new ATOM 0 HA LEU A 124 0.424 2.831 3.553 1.00 0.50 H new ATOM 0 HB2 LEU A 124 0.781 0.663 1.474 1.00 0.50 H new ATOM 0 HB3 LEU A 124 0.380 2.334 1.128 1.00 0.50 H new ATOM 0 HG LEU A 124 2.883 1.533 2.635 1.00 0.56 H new ATOM 0 HD11 LEU A 124 4.097 1.811 0.511 1.00 0.49 H new ATOM 0 HD12 LEU A 124 2.930 0.469 0.436 1.00 0.49 H new ATOM 0 HD13 LEU A 124 2.548 2.024 -0.340 1.00 0.49 H new ATOM 0 HD21 LEU A 124 3.657 3.770 1.937 1.00 0.83 H new ATOM 0 HD22 LEU A 124 2.089 4.059 1.145 1.00 0.83 H new ATOM 0 HD23 LEU A 124 2.171 3.861 2.912 1.00 0.83 H new ATOM 412 N LEU A 125 -1.686 0.346 3.242 1.00 0.37 N ATOM 413 CA LEU A 125 -3.111 0.018 3.278 1.00 0.35 C ATOM 414 C LEU A 125 -3.739 0.616 4.524 1.00 0.46 C ATOM 415 O LEU A 125 -4.856 1.126 4.493 1.00 0.52 O ATOM 416 CB LEU A 125 -3.328 -1.497 3.304 1.00 0.28 C ATOM 417 CG LEU A 125 -3.316 -2.213 1.961 1.00 0.25 C ATOM 418 CD1 LEU A 125 -3.262 -3.711 2.192 1.00 0.21 C ATOM 419 CD2 LEU A 125 -4.554 -1.855 1.153 1.00 0.33 C ATOM 0 H LEU A 125 -1.066 -0.462 3.305 1.00 0.37 H new ATOM 0 HA LEU A 125 -3.573 0.428 2.380 1.00 0.35 H new ATOM 0 HB2 LEU A 125 -2.556 -1.940 3.933 1.00 0.28 H new ATOM 0 HB3 LEU A 125 -4.285 -1.695 3.787 1.00 0.28 H new ATOM 0 HG LEU A 125 -2.437 -1.898 1.398 1.00 0.25 H new ATOM 0 HD11 LEU A 125 -3.253 -4.227 1.232 1.00 0.21 H new ATOM 0 HD12 LEU A 125 -2.358 -3.961 2.747 1.00 0.21 H new ATOM 0 HD13 LEU A 125 -4.136 -4.023 2.764 1.00 0.21 H new ATOM 0 HD21 LEU A 125 -4.527 -2.377 0.196 1.00 0.33 H new ATOM 0 HD22 LEU A 125 -5.446 -2.152 1.704 1.00 0.33 H new ATOM 0 HD23 LEU A 125 -4.577 -0.779 0.979 1.00 0.33 H new ATOM 431 N THR A 126 -2.994 0.562 5.614 1.00 0.55 N ATOM 432 CA THR A 126 -3.505 1.031 6.888 1.00 0.74 C ATOM 433 C THR A 126 -3.656 2.548 6.878 1.00 0.92 C ATOM 434 O THR A 126 -4.688 3.086 7.280 1.00 1.07 O ATOM 435 CB THR A 126 -2.589 0.593 8.046 1.00 0.81 C ATOM 436 OG1 THR A 126 -2.571 -0.841 8.130 1.00 0.86 O ATOM 437 CG2 THR A 126 -3.046 1.187 9.371 1.00 0.91 C ATOM 0 H THR A 126 -2.040 0.201 5.642 1.00 0.55 H new ATOM 0 HA THR A 126 -4.487 0.583 7.042 1.00 0.74 H new ATOM 0 HB THR A 126 -1.583 0.962 7.844 1.00 0.81 H new ATOM 0 HG1 THR A 126 -2.009 -1.204 7.414 1.00 0.86 H new ATOM 0 HG21 THR A 126 -2.378 0.858 10.167 1.00 0.91 H new ATOM 0 HG22 THR A 126 -3.027 2.275 9.308 1.00 0.91 H new ATOM 0 HG23 THR A 126 -4.061 0.854 9.588 1.00 0.91 H new ATOM 445 N ALA A 127 -2.625 3.224 6.383 1.00 0.96 N ATOM 446 CA ALA A 127 -2.597 4.677 6.349 1.00 1.09 C ATOM 447 C ALA A 127 -3.718 5.247 5.483 1.00 1.18 C ATOM 448 O ALA A 127 -4.370 6.224 5.858 1.00 1.38 O ATOM 449 CB ALA A 127 -1.245 5.144 5.840 1.00 1.18 C ATOM 0 H ALA A 127 -1.791 2.781 5.997 1.00 0.96 H new ATOM 0 HA ALA A 127 -2.755 5.045 7.363 1.00 1.09 H new ATOM 0 HB1 ALA A 127 -1.223 6.233 5.814 1.00 1.18 H new ATOM 0 HB2 ALA A 127 -0.461 4.781 6.504 1.00 1.18 H new ATOM 0 HB3 ALA A 127 -1.080 4.754 4.836 1.00 1.18 H new ATOM 455 N GLU A 128 -3.926 4.644 4.313 1.00 1.13 N ATOM 456 CA GLU A 128 -4.971 5.098 3.399 1.00 1.31 C ATOM 457 C GLU A 128 -6.342 4.982 4.056 1.00 1.38 C ATOM 458 O GLU A 128 -7.200 5.851 3.896 1.00 1.61 O ATOM 459 CB GLU A 128 -4.945 4.290 2.106 1.00 1.35 C ATOM 460 CG GLU A 128 -5.793 4.898 1.003 1.00 1.47 C ATOM 461 CD GLU A 128 -5.239 6.213 0.491 1.00 1.46 C ATOM 462 OE1 GLU A 128 -5.485 7.256 1.129 1.00 2.02 O ATOM 463 OE2 GLU A 128 -4.566 6.213 -0.556 1.00 1.95 O ATOM 0 H GLU A 128 -3.388 3.845 3.978 1.00 1.13 H new ATOM 0 HA GLU A 128 -4.781 6.144 3.161 1.00 1.31 H new ATOM 0 HB2 GLU A 128 -3.915 4.205 1.759 1.00 1.35 H new ATOM 0 HB3 GLU A 128 -5.297 3.279 2.310 1.00 1.35 H new ATOM 0 HG2 GLU A 128 -5.864 4.192 0.175 1.00 1.47 H new ATOM 0 HG3 GLU A 128 -6.805 5.056 1.375 1.00 1.47 H new ATOM 470 N ILE A 129 -6.524 3.913 4.821 1.00 1.24 N ATOM 471 CA ILE A 129 -7.769 3.706 5.546 1.00 1.42 C ATOM 472 C ILE A 129 -7.959 4.797 6.591 1.00 1.64 C ATOM 473 O ILE A 129 -9.054 5.338 6.741 1.00 1.92 O ATOM 474 CB ILE A 129 -7.814 2.318 6.215 1.00 1.32 C ATOM 475 CG1 ILE A 129 -7.825 1.241 5.140 1.00 1.14 C ATOM 476 CG2 ILE A 129 -9.035 2.184 7.122 1.00 1.59 C ATOM 477 CD1 ILE A 129 -7.707 -0.158 5.685 1.00 1.01 C ATOM 0 H ILE A 129 -5.828 3.179 4.955 1.00 1.24 H new ATOM 0 HA ILE A 129 -8.584 3.754 4.823 1.00 1.42 H new ATOM 0 HB ILE A 129 -6.928 2.198 6.838 1.00 1.32 H new ATOM 0 HG12 ILE A 129 -8.748 1.322 4.567 1.00 1.14 H new ATOM 0 HG13 ILE A 129 -7.003 1.422 4.448 1.00 1.14 H new ATOM 0 HG21 ILE A 129 -9.041 1.195 7.580 1.00 1.59 H new ATOM 0 HG22 ILE A 129 -8.995 2.945 7.901 1.00 1.59 H new ATOM 0 HG23 ILE A 129 -9.942 2.316 6.533 1.00 1.59 H new ATOM 0 HD11 ILE A 129 -7.722 -0.872 4.861 1.00 1.01 H new ATOM 0 HD12 ILE A 129 -6.771 -0.257 6.234 1.00 1.01 H new ATOM 0 HD13 ILE A 129 -8.543 -0.359 6.355 1.00 1.01 H new ATOM 489 N GLU A 130 -6.875 5.145 7.278 1.00 1.56 N ATOM 490 CA GLU A 130 -6.909 6.194 8.285 1.00 1.76 C ATOM 491 C GLU A 130 -7.398 7.502 7.671 1.00 1.94 C ATOM 492 O GLU A 130 -8.194 8.221 8.272 1.00 2.19 O ATOM 493 CB GLU A 130 -5.520 6.404 8.899 1.00 1.67 C ATOM 494 CG GLU A 130 -4.983 5.192 9.644 1.00 1.60 C ATOM 495 CD GLU A 130 -3.662 5.471 10.338 1.00 1.81 C ATOM 496 OE1 GLU A 130 -3.667 5.710 11.563 1.00 2.25 O ATOM 497 OE2 GLU A 130 -2.608 5.455 9.667 1.00 2.15 O ATOM 0 H GLU A 130 -5.960 4.712 7.153 1.00 1.56 H new ATOM 0 HA GLU A 130 -7.598 5.885 9.071 1.00 1.76 H new ATOM 0 HB2 GLU A 130 -4.820 6.670 8.107 1.00 1.67 H new ATOM 0 HB3 GLU A 130 -5.561 7.250 9.585 1.00 1.67 H new ATOM 0 HG2 GLU A 130 -5.717 4.870 10.383 1.00 1.60 H new ATOM 0 HG3 GLU A 130 -4.854 4.367 8.943 1.00 1.60 H new ATOM 504 N LYS A 131 -6.934 7.779 6.455 1.00 1.85 N ATOM 505 CA LYS A 131 -7.274 9.012 5.751 1.00 2.07 C ATOM 506 C LYS A 131 -8.764 9.068 5.413 1.00 2.28 C ATOM 507 O LYS A 131 -9.408 10.103 5.589 1.00 2.54 O ATOM 508 CB LYS A 131 -6.457 9.129 4.463 1.00 2.03 C ATOM 509 CG LYS A 131 -6.631 10.459 3.751 1.00 2.33 C ATOM 510 CD LYS A 131 -6.385 10.318 2.262 1.00 2.59 C ATOM 511 CE LYS A 131 -7.510 9.542 1.594 1.00 3.17 C ATOM 512 NZ LYS A 131 -7.168 9.147 0.207 1.00 3.73 N ATOM 0 H LYS A 131 -6.315 7.159 5.933 1.00 1.85 H new ATOM 0 HA LYS A 131 -7.037 9.845 6.413 1.00 2.07 H new ATOM 0 HB2 LYS A 131 -5.402 8.987 4.698 1.00 2.03 H new ATOM 0 HB3 LYS A 131 -6.744 8.324 3.786 1.00 2.03 H new ATOM 0 HG2 LYS A 131 -7.639 10.837 3.922 1.00 2.33 H new ATOM 0 HG3 LYS A 131 -5.941 11.192 4.169 1.00 2.33 H new ATOM 0 HD2 LYS A 131 -6.301 11.306 1.809 1.00 2.59 H new ATOM 0 HD3 LYS A 131 -5.437 9.808 2.093 1.00 2.59 H new ATOM 0 HE2 LYS A 131 -7.732 8.650 2.180 1.00 3.17 H new ATOM 0 HE3 LYS A 131 -8.414 10.151 1.585 1.00 3.17 H new ATOM 0 HZ1 LYS A 131 -8.011 8.758 -0.261 1.00 3.73 H new ATOM 0 HZ2 LYS A 131 -6.834 9.980 -0.319 1.00 3.73 H new ATOM 0 HZ3 LYS A 131 -6.419 8.426 0.226 1.00 3.73 H new ATOM 526 N ILE A 132 -9.310 7.961 4.924 1.00 2.21 N ATOM 527 CA ILE A 132 -10.726 7.907 4.589 1.00 2.47 C ATOM 528 C ILE A 132 -11.584 7.969 5.848 1.00 2.68 C ATOM 529 O ILE A 132 -12.603 8.659 5.886 1.00 2.98 O ATOM 530 CB ILE A 132 -11.071 6.626 3.817 1.00 2.40 C ATOM 531 CG1 ILE A 132 -10.070 6.404 2.687 1.00 2.18 C ATOM 532 CG2 ILE A 132 -12.486 6.701 3.261 1.00 2.72 C ATOM 533 CD1 ILE A 132 -10.401 5.214 1.823 1.00 2.19 C ATOM 0 H ILE A 132 -8.798 7.096 4.752 1.00 2.21 H new ATOM 0 HA ILE A 132 -10.937 8.771 3.958 1.00 2.47 H new ATOM 0 HB ILE A 132 -11.015 5.783 4.505 1.00 2.40 H new ATOM 0 HG12 ILE A 132 -10.032 7.297 2.064 1.00 2.18 H new ATOM 0 HG13 ILE A 132 -9.076 6.270 3.113 1.00 2.18 H new ATOM 0 HG21 ILE A 132 -12.712 5.784 2.717 1.00 2.72 H new ATOM 0 HG22 ILE A 132 -13.194 6.820 4.082 1.00 2.72 H new ATOM 0 HG23 ILE A 132 -12.567 7.553 2.586 1.00 2.72 H new ATOM 0 HD11 ILE A 132 -9.650 5.113 1.039 1.00 2.19 H new ATOM 0 HD12 ILE A 132 -10.411 4.312 2.435 1.00 2.19 H new ATOM 0 HD13 ILE A 132 -11.382 5.355 1.369 1.00 2.19 H new ATOM 545 N GLN A 133 -11.155 7.249 6.878 1.00 2.56 N ATOM 546 CA GLN A 133 -11.890 7.196 8.141 1.00 2.81 C ATOM 547 C GLN A 133 -11.951 8.565 8.810 1.00 2.98 C ATOM 548 O GLN A 133 -12.989 8.950 9.350 1.00 3.27 O ATOM 549 CB GLN A 133 -11.258 6.180 9.096 1.00 2.72 C ATOM 550 CG GLN A 133 -11.375 4.735 8.627 1.00 2.73 C ATOM 551 CD GLN A 133 -12.807 4.221 8.606 1.00 2.94 C ATOM 552 OE1 GLN A 133 -13.759 4.977 8.416 1.00 3.49 O ATOM 553 NE2 GLN A 133 -12.970 2.922 8.794 1.00 2.90 N ATOM 0 H GLN A 133 -10.301 6.692 6.865 1.00 2.56 H new ATOM 0 HA GLN A 133 -12.908 6.882 7.910 1.00 2.81 H new ATOM 0 HB2 GLN A 133 -10.204 6.425 9.226 1.00 2.72 H new ATOM 0 HB3 GLN A 133 -11.730 6.273 10.074 1.00 2.72 H new ATOM 0 HG2 GLN A 133 -10.952 4.650 7.626 1.00 2.73 H new ATOM 0 HG3 GLN A 133 -10.778 4.099 9.281 1.00 2.73 H new ATOM 0 HE21 GLN A 133 -12.159 2.323 8.949 1.00 2.90 H new ATOM 0 HE22 GLN A 133 -13.907 2.519 8.784 1.00 2.90 H new ATOM 562 N LYS A 134 -10.841 9.296 8.772 1.00 2.82 N ATOM 563 CA LYS A 134 -10.783 10.619 9.388 1.00 3.02 C ATOM 564 C LYS A 134 -11.543 11.641 8.548 1.00 3.29 C ATOM 565 O LYS A 134 -12.249 12.498 9.080 1.00 3.54 O ATOM 566 CB LYS A 134 -9.330 11.079 9.578 1.00 2.88 C ATOM 567 CG LYS A 134 -8.559 11.232 8.278 1.00 2.85 C ATOM 568 CD LYS A 134 -7.163 11.778 8.504 1.00 2.90 C ATOM 569 CE LYS A 134 -7.190 13.242 8.908 1.00 3.30 C ATOM 570 NZ LYS A 134 -7.693 14.114 7.812 1.00 3.82 N ATOM 0 H LYS A 134 -9.974 8.998 8.324 1.00 2.82 H new ATOM 0 HA LYS A 134 -11.254 10.546 10.368 1.00 3.02 H new ATOM 0 HB2 LYS A 134 -9.327 12.033 10.105 1.00 2.88 H new ATOM 0 HB3 LYS A 134 -8.812 10.361 10.214 1.00 2.88 H new ATOM 0 HG2 LYS A 134 -8.493 10.265 7.780 1.00 2.85 H new ATOM 0 HG3 LYS A 134 -9.105 11.898 7.610 1.00 2.85 H new ATOM 0 HD2 LYS A 134 -6.666 11.196 9.280 1.00 2.90 H new ATOM 0 HD3 LYS A 134 -6.575 11.663 7.593 1.00 2.90 H new ATOM 0 HE2 LYS A 134 -7.823 13.364 9.787 1.00 3.30 H new ATOM 0 HE3 LYS A 134 -6.186 13.558 9.191 1.00 3.30 H new ATOM 0 HZ1 LYS A 134 -7.432 15.102 8.007 1.00 3.82 H new ATOM 0 HZ2 LYS A 134 -7.270 13.816 6.910 1.00 3.82 H new ATOM 0 HZ3 LYS A 134 -8.728 14.034 7.752 1.00 3.82 H new ATOM 584 N GLY A 135 -11.411 11.534 7.235 1.00 3.29 N ATOM 585 CA GLY A 135 -12.032 12.489 6.349 1.00 3.59 C ATOM 586 C GLY A 135 -11.069 13.582 5.940 1.00 4.02 C ATOM 587 O GLY A 135 -10.165 13.913 6.740 1.00 4.46 O ATOM 588 OXT GLY A 135 -11.194 14.098 4.818 1.00 4.40 O ATOM 0 H GLY A 135 -10.882 10.798 6.768 1.00 3.29 H new ATOM 0 HA2 GLY A 135 -12.399 11.976 5.460 1.00 3.59 H new ATOM 0 HA3 GLY A 135 -12.898 12.932 6.841 1.00 3.59 H new TER 592 GLY A 135 ATOM 593 N PRO B 99 15.073 5.656 6.148 1.00 4.97 N ATOM 594 CA PRO B 99 15.555 6.358 4.962 1.00 4.83 C ATOM 595 C PRO B 99 14.923 5.804 3.697 1.00 4.33 C ATOM 596 O PRO B 99 14.980 4.597 3.440 1.00 4.07 O ATOM 597 CB PRO B 99 17.065 6.098 4.965 1.00 5.14 C ATOM 598 CG PRO B 99 17.246 4.877 5.799 1.00 5.27 C ATOM 599 CD PRO B 99 16.146 4.908 6.820 1.00 5.29 C ATOM 0 HA PRO B 99 15.305 7.419 4.982 1.00 4.83 H new ATOM 0 HB2 PRO B 99 17.441 5.944 3.953 1.00 5.14 H new ATOM 0 HB3 PRO B 99 17.610 6.945 5.382 1.00 5.14 H new ATOM 0 HG2 PRO B 99 17.187 3.975 5.189 1.00 5.27 H new ATOM 0 HG3 PRO B 99 18.224 4.874 6.279 1.00 5.27 H new ATOM 0 HD2 PRO B 99 15.824 3.903 7.093 1.00 5.29 H new ATOM 0 HD3 PRO B 99 16.465 5.401 7.738 1.00 5.29 H new ATOM 607 N GLU B 100 14.329 6.689 2.909 1.00 4.31 N ATOM 608 CA GLU B 100 13.628 6.285 1.699 1.00 4.02 C ATOM 609 C GLU B 100 14.585 5.648 0.693 1.00 3.83 C ATOM 610 O GLU B 100 14.164 4.929 -0.213 1.00 3.64 O ATOM 611 CB GLU B 100 12.872 7.464 1.085 1.00 4.28 C ATOM 612 CG GLU B 100 11.813 8.034 2.017 1.00 4.51 C ATOM 613 CD GLU B 100 10.801 8.903 1.303 1.00 4.77 C ATOM 614 OE1 GLU B 100 11.143 10.047 0.938 1.00 4.99 O ATOM 615 OE2 GLU B 100 9.652 8.448 1.116 1.00 5.14 O ATOM 0 H GLU B 100 14.319 7.693 3.087 1.00 4.31 H new ATOM 0 HA GLU B 100 12.893 5.528 1.973 1.00 4.02 H new ATOM 0 HB2 GLU B 100 13.582 8.249 0.825 1.00 4.28 H new ATOM 0 HB3 GLU B 100 12.398 7.143 0.157 1.00 4.28 H new ATOM 0 HG2 GLU B 100 11.294 7.214 2.512 1.00 4.51 H new ATOM 0 HG3 GLU B 100 12.300 8.620 2.796 1.00 4.51 H new ATOM 622 N ASN B 101 15.874 5.906 0.887 1.00 4.05 N ATOM 623 CA ASN B 101 16.912 5.252 0.098 1.00 4.09 C ATOM 624 C ASN B 101 16.827 3.734 0.230 1.00 3.98 C ATOM 625 O ASN B 101 17.040 3.004 -0.736 1.00 4.07 O ATOM 626 CB ASN B 101 18.298 5.731 0.535 1.00 4.55 C ATOM 627 CG ASN B 101 19.409 5.182 -0.346 1.00 4.75 C ATOM 628 OD1 ASN B 101 19.157 5.098 -1.644 1.00 5.19 O flip ATOM 629 ND2 ASN B 101 20.498 4.868 0.133 1.00 4.68 N flip ATOM 0 H ASN B 101 16.225 6.563 1.584 1.00 4.05 H new ATOM 0 HA ASN B 101 16.754 5.519 -0.947 1.00 4.09 H new ATOM 0 HB2 ASN B 101 18.326 6.820 0.513 1.00 4.55 H new ATOM 0 HB3 ASN B 101 18.474 5.429 1.567 1.00 4.55 H new ATOM 0 HD21 ASN B 101 20.655 4.946 1.138 1.00 4.68 H new ATOM 0 HD22 ASN B 101 21.244 4.529 -0.475 1.00 4.68 H new ATOM 636 N LYS B 102 16.497 3.258 1.423 1.00 3.93 N ATOM 637 CA LYS B 102 16.410 1.829 1.679 1.00 3.87 C ATOM 638 C LYS B 102 14.965 1.366 1.786 1.00 3.43 C ATOM 639 O LYS B 102 14.670 0.181 1.670 1.00 3.32 O ATOM 640 CB LYS B 102 17.173 1.497 2.956 1.00 4.20 C ATOM 641 CG LYS B 102 18.677 1.654 2.808 1.00 4.62 C ATOM 642 CD LYS B 102 19.409 1.301 4.091 1.00 5.18 C ATOM 643 CE LYS B 102 20.911 1.406 3.910 1.00 5.68 C ATOM 644 NZ LYS B 102 21.654 0.991 5.128 1.00 6.27 N ATOM 0 H LYS B 102 16.285 3.844 2.230 1.00 3.93 H new ATOM 0 HA LYS B 102 16.858 1.300 0.838 1.00 3.87 H new ATOM 0 HB2 LYS B 102 16.823 2.144 3.760 1.00 4.20 H new ATOM 0 HB3 LYS B 102 16.948 0.472 3.251 1.00 4.20 H new ATOM 0 HG2 LYS B 102 19.032 1.015 1.999 1.00 4.62 H new ATOM 0 HG3 LYS B 102 18.910 2.681 2.528 1.00 4.62 H new ATOM 0 HD2 LYS B 102 19.089 1.968 4.891 1.00 5.18 H new ATOM 0 HD3 LYS B 102 19.146 0.288 4.396 1.00 5.18 H new ATOM 0 HE2 LYS B 102 21.218 0.784 3.070 1.00 5.68 H new ATOM 0 HE3 LYS B 102 21.174 2.434 3.659 1.00 5.68 H new ATOM 0 HZ1 LYS B 102 22.676 1.079 4.958 1.00 6.27 H new ATOM 0 HZ2 LYS B 102 21.382 1.601 5.925 1.00 6.27 H new ATOM 0 HZ3 LYS B 102 21.425 0.002 5.354 1.00 6.27 H new ATOM 658 N TYR B 103 14.073 2.305 2.033 1.00 3.24 N ATOM 659 CA TYR B 103 12.638 2.060 2.016 1.00 2.85 C ATOM 660 C TYR B 103 12.174 1.666 0.611 1.00 2.56 C ATOM 661 O TYR B 103 11.214 0.913 0.453 1.00 2.28 O ATOM 662 CB TYR B 103 11.948 3.340 2.487 1.00 2.82 C ATOM 663 CG TYR B 103 10.442 3.371 2.412 1.00 2.56 C ATOM 664 CD1 TYR B 103 9.654 2.559 3.209 1.00 2.69 C ATOM 665 CD2 TYR B 103 9.815 4.262 1.557 1.00 2.76 C ATOM 666 CE1 TYR B 103 8.275 2.632 3.149 1.00 2.58 C ATOM 667 CE2 TYR B 103 8.443 4.340 1.481 1.00 2.65 C ATOM 668 CZ TYR B 103 7.672 3.521 2.283 1.00 2.31 C ATOM 669 OH TYR B 103 6.299 3.600 2.237 1.00 2.31 O ATOM 0 H TYR B 103 14.323 3.269 2.253 1.00 3.24 H new ATOM 0 HA TYR B 103 12.382 1.232 2.677 1.00 2.85 H new ATOM 0 HB2 TYR B 103 12.240 3.522 3.521 1.00 2.82 H new ATOM 0 HB3 TYR B 103 12.334 4.171 1.896 1.00 2.82 H new ATOM 0 HD1 TYR B 103 10.122 1.860 3.886 1.00 2.69 H new ATOM 0 HD2 TYR B 103 10.416 4.910 0.936 1.00 2.76 H new ATOM 0 HE1 TYR B 103 7.671 1.995 3.778 1.00 2.58 H new ATOM 0 HE2 TYR B 103 7.973 5.035 0.801 1.00 2.65 H new ATOM 0 HH TYR B 103 6.023 4.537 2.313 1.00 2.31 H new ATOM 679 N LEU B 104 12.876 2.166 -0.405 1.00 2.70 N ATOM 680 CA LEU B 104 12.528 1.919 -1.799 1.00 2.55 C ATOM 681 C LEU B 104 12.631 0.431 -2.163 1.00 2.53 C ATOM 682 O LEU B 104 11.657 -0.152 -2.643 1.00 2.25 O ATOM 683 CB LEU B 104 13.424 2.761 -2.716 1.00 2.85 C ATOM 684 CG LEU B 104 13.229 2.539 -4.216 1.00 2.83 C ATOM 685 CD1 LEU B 104 11.826 2.931 -4.637 1.00 2.46 C ATOM 686 CD2 LEU B 104 14.261 3.331 -5.003 1.00 3.18 C ATOM 0 H LEU B 104 13.701 2.753 -0.283 1.00 2.70 H new ATOM 0 HA LEU B 104 11.488 2.212 -1.941 1.00 2.55 H new ATOM 0 HB2 LEU B 104 13.249 3.814 -2.497 1.00 2.85 H new ATOM 0 HB3 LEU B 104 14.465 2.552 -2.468 1.00 2.85 H new ATOM 0 HG LEU B 104 13.365 1.479 -4.429 1.00 2.83 H new ATOM 0 HD11 LEU B 104 11.708 2.765 -5.708 1.00 2.46 H new ATOM 0 HD12 LEU B 104 11.101 2.325 -4.094 1.00 2.46 H new ATOM 0 HD13 LEU B 104 11.660 3.985 -4.412 1.00 2.46 H new ATOM 0 HD21 LEU B 104 14.111 3.164 -6.070 1.00 3.18 H new ATOM 0 HD22 LEU B 104 14.150 4.393 -4.783 1.00 3.18 H new ATOM 0 HD23 LEU B 104 15.262 3.004 -4.722 1.00 3.18 H new ATOM 698 N PRO B 105 13.798 -0.222 -1.949 1.00 2.88 N ATOM 699 CA PRO B 105 13.957 -1.648 -2.258 1.00 2.95 C ATOM 700 C PRO B 105 13.017 -2.516 -1.427 1.00 2.65 C ATOM 701 O PRO B 105 12.616 -3.600 -1.853 1.00 2.62 O ATOM 702 CB PRO B 105 15.421 -1.938 -1.915 1.00 3.43 C ATOM 703 CG PRO B 105 15.789 -0.864 -0.956 1.00 3.51 C ATOM 704 CD PRO B 105 15.046 0.350 -1.419 1.00 3.28 C ATOM 0 HA PRO B 105 13.712 -1.874 -3.296 1.00 2.95 H new ATOM 0 HB2 PRO B 105 15.538 -2.926 -1.470 1.00 3.43 H new ATOM 0 HB3 PRO B 105 16.051 -1.912 -2.804 1.00 3.43 H new ATOM 0 HG2 PRO B 105 15.508 -1.133 0.062 1.00 3.51 H new ATOM 0 HG3 PRO B 105 16.865 -0.690 -0.954 1.00 3.51 H new ATOM 0 HD2 PRO B 105 14.858 1.047 -0.602 1.00 3.28 H new ATOM 0 HD3 PRO B 105 15.598 0.897 -2.183 1.00 3.28 H new ATOM 712 N GLU B 106 12.675 -2.041 -0.238 1.00 2.53 N ATOM 713 CA GLU B 106 11.680 -2.706 0.584 1.00 2.35 C ATOM 714 C GLU B 106 10.339 -2.741 -0.146 1.00 1.89 C ATOM 715 O GLU B 106 9.679 -3.776 -0.217 1.00 1.84 O ATOM 716 CB GLU B 106 11.505 -1.945 1.896 1.00 2.43 C ATOM 717 CG GLU B 106 12.697 -2.020 2.832 1.00 2.88 C ATOM 718 CD GLU B 106 12.456 -2.968 3.986 1.00 3.33 C ATOM 719 OE1 GLU B 106 11.498 -2.735 4.755 1.00 3.62 O ATOM 720 OE2 GLU B 106 13.218 -3.944 4.133 1.00 3.71 O ATOM 0 H GLU B 106 13.073 -1.198 0.177 1.00 2.53 H new ATOM 0 HA GLU B 106 12.015 -3.723 0.785 1.00 2.35 H new ATOM 0 HB2 GLU B 106 11.302 -0.898 1.670 1.00 2.43 H new ATOM 0 HB3 GLU B 106 10.628 -2.335 2.413 1.00 2.43 H new ATOM 0 HG2 GLU B 106 13.575 -2.345 2.274 1.00 2.88 H new ATOM 0 HG3 GLU B 106 12.916 -1.025 3.220 1.00 2.88 H new ATOM 727 N LEU B 107 9.963 -1.594 -0.700 1.00 1.63 N ATOM 728 CA LEU B 107 8.702 -1.466 -1.420 1.00 1.23 C ATOM 729 C LEU B 107 8.686 -2.355 -2.655 1.00 1.08 C ATOM 730 O LEU B 107 7.714 -3.055 -2.899 1.00 0.96 O ATOM 731 CB LEU B 107 8.478 -0.025 -1.854 1.00 1.21 C ATOM 732 CG LEU B 107 8.303 0.980 -0.727 1.00 1.31 C ATOM 733 CD1 LEU B 107 8.318 2.386 -1.290 1.00 1.42 C ATOM 734 CD2 LEU B 107 7.001 0.724 0.013 1.00 1.19 C ATOM 0 H LEU B 107 10.515 -0.737 -0.664 1.00 1.63 H new ATOM 0 HA LEU B 107 7.907 -1.775 -0.742 1.00 1.23 H new ATOM 0 HB2 LEU B 107 9.324 0.287 -2.467 1.00 1.21 H new ATOM 0 HB3 LEU B 107 7.593 0.011 -2.490 1.00 1.21 H new ATOM 0 HG LEU B 107 9.127 0.869 -0.022 1.00 1.31 H new ATOM 0 HD11 LEU B 107 8.192 3.104 -0.479 1.00 1.42 H new ATOM 0 HD12 LEU B 107 9.269 2.567 -1.791 1.00 1.42 H new ATOM 0 HD13 LEU B 107 7.504 2.500 -2.005 1.00 1.42 H new ATOM 0 HD21 LEU B 107 6.890 1.452 0.817 1.00 1.19 H new ATOM 0 HD22 LEU B 107 6.164 0.818 -0.679 1.00 1.19 H new ATOM 0 HD23 LEU B 107 7.013 -0.282 0.433 1.00 1.19 H new ATOM 746 N MET B 108 9.774 -2.331 -3.415 1.00 1.26 N ATOM 747 CA MET B 108 9.858 -3.119 -4.642 1.00 1.26 C ATOM 748 C MET B 108 9.820 -4.614 -4.343 1.00 1.17 C ATOM 749 O MET B 108 9.237 -5.385 -5.100 1.00 1.13 O ATOM 750 CB MET B 108 11.118 -2.763 -5.449 1.00 1.64 C ATOM 751 CG MET B 108 12.430 -3.167 -4.808 1.00 1.96 C ATOM 752 SD MET B 108 13.862 -2.658 -5.778 1.00 2.39 S ATOM 753 CE MET B 108 13.598 -0.887 -5.870 1.00 2.67 C ATOM 0 H MET B 108 10.606 -1.779 -3.207 1.00 1.26 H new ATOM 0 HA MET B 108 8.986 -2.871 -5.247 1.00 1.26 H new ATOM 0 HB2 MET B 108 11.049 -3.237 -6.428 1.00 1.64 H new ATOM 0 HB3 MET B 108 11.130 -1.686 -5.617 1.00 1.64 H new ATOM 0 HG2 MET B 108 12.495 -2.727 -3.813 1.00 1.96 H new ATOM 0 HG3 MET B 108 12.449 -4.249 -4.679 1.00 1.96 H new ATOM 0 HE1 MET B 108 14.555 -0.372 -5.792 1.00 2.67 H new ATOM 0 HE2 MET B 108 13.128 -0.638 -6.822 1.00 2.67 H new ATOM 0 HE3 MET B 108 12.949 -0.573 -5.052 1.00 2.67 H new ATOM 763 N ALA B 109 10.423 -5.020 -3.230 1.00 1.27 N ATOM 764 CA ALA B 109 10.426 -6.429 -2.857 1.00 1.30 C ATOM 765 C ALA B 109 9.027 -6.888 -2.448 1.00 0.99 C ATOM 766 O ALA B 109 8.554 -7.934 -2.894 1.00 1.01 O ATOM 767 CB ALA B 109 11.437 -6.687 -1.749 1.00 1.60 C ATOM 0 H ALA B 109 10.909 -4.403 -2.579 1.00 1.27 H new ATOM 0 HA ALA B 109 10.724 -7.014 -3.727 1.00 1.30 H new ATOM 0 HB1 ALA B 109 11.425 -7.744 -1.484 1.00 1.60 H new ATOM 0 HB2 ALA B 109 12.433 -6.411 -2.094 1.00 1.60 H new ATOM 0 HB3 ALA B 109 11.178 -6.091 -0.874 1.00 1.60 H new ATOM 773 N GLU B 110 8.367 -6.093 -1.613 1.00 0.80 N ATOM 774 CA GLU B 110 6.996 -6.402 -1.211 1.00 0.62 C ATOM 775 C GLU B 110 6.073 -6.305 -2.427 1.00 0.45 C ATOM 776 O GLU B 110 5.181 -7.119 -2.619 1.00 0.54 O ATOM 777 CB GLU B 110 6.523 -5.447 -0.113 1.00 0.56 C ATOM 778 CG GLU B 110 7.273 -5.598 1.205 1.00 0.60 C ATOM 779 CD GLU B 110 6.734 -4.682 2.288 1.00 0.83 C ATOM 780 OE1 GLU B 110 5.516 -4.421 2.297 1.00 1.49 O ATOM 781 OE2 GLU B 110 7.522 -4.229 3.147 1.00 1.48 O ATOM 0 H GLU B 110 8.751 -5.241 -1.205 1.00 0.80 H new ATOM 0 HA GLU B 110 6.967 -7.416 -0.813 1.00 0.62 H new ATOM 0 HB2 GLU B 110 6.632 -4.421 -0.466 1.00 0.56 H new ATOM 0 HB3 GLU B 110 5.460 -5.612 0.065 1.00 0.56 H new ATOM 0 HG2 GLU B 110 7.205 -6.633 1.542 1.00 0.60 H new ATOM 0 HG3 GLU B 110 8.330 -5.384 1.045 1.00 0.60 H new ATOM 788 N LYS B 111 6.344 -5.300 -3.239 1.00 0.41 N ATOM 789 CA LYS B 111 5.564 -5.107 -4.456 1.00 0.46 C ATOM 790 C LYS B 111 5.681 -6.317 -5.387 1.00 0.47 C ATOM 791 O LYS B 111 4.681 -6.821 -5.892 1.00 0.52 O ATOM 792 CB LYS B 111 5.998 -3.829 -5.182 1.00 0.63 C ATOM 793 CG LYS B 111 5.542 -3.759 -6.630 1.00 0.79 C ATOM 794 CD LYS B 111 5.969 -2.458 -7.283 1.00 0.89 C ATOM 795 CE LYS B 111 5.734 -2.466 -8.785 1.00 1.15 C ATOM 796 NZ LYS B 111 4.295 -2.606 -9.133 1.00 1.89 N ATOM 0 H LYS B 111 7.083 -4.614 -3.086 1.00 0.41 H new ATOM 0 HA LYS B 111 4.518 -5.003 -4.167 1.00 0.46 H new ATOM 0 HB2 LYS B 111 5.604 -2.966 -4.645 1.00 0.63 H new ATOM 0 HB3 LYS B 111 7.085 -3.756 -5.150 1.00 0.63 H new ATOM 0 HG2 LYS B 111 5.958 -4.600 -7.185 1.00 0.79 H new ATOM 0 HG3 LYS B 111 4.457 -3.852 -6.676 1.00 0.79 H new ATOM 0 HD2 LYS B 111 5.418 -1.631 -6.835 1.00 0.89 H new ATOM 0 HD3 LYS B 111 7.026 -2.283 -7.083 1.00 0.89 H new ATOM 0 HE2 LYS B 111 6.121 -1.542 -9.215 1.00 1.15 H new ATOM 0 HE3 LYS B 111 6.295 -3.286 -9.233 1.00 1.15 H new ATOM 0 HZ1 LYS B 111 4.153 -2.355 -10.132 1.00 1.89 H new ATOM 0 HZ2 LYS B 111 3.994 -3.589 -8.977 1.00 1.89 H new ATOM 0 HZ3 LYS B 111 3.730 -1.972 -8.533 1.00 1.89 H new ATOM 810 N ASP B 112 6.897 -6.785 -5.604 1.00 0.49 N ATOM 811 CA ASP B 112 7.138 -7.905 -6.511 1.00 0.58 C ATOM 812 C ASP B 112 6.612 -9.221 -5.932 1.00 0.53 C ATOM 813 O ASP B 112 6.238 -10.132 -6.673 1.00 0.63 O ATOM 814 CB ASP B 112 8.636 -8.026 -6.802 1.00 0.72 C ATOM 815 CG ASP B 112 8.943 -9.002 -7.917 1.00 2.65 C ATOM 816 OD1 ASP B 112 8.799 -8.622 -9.098 1.00 3.03 O ATOM 817 OD2 ASP B 112 9.347 -10.145 -7.624 1.00 3.08 O ATOM 0 H ASP B 112 7.738 -6.409 -5.166 1.00 0.49 H new ATOM 0 HA ASP B 112 6.599 -7.708 -7.438 1.00 0.58 H new ATOM 0 HB2 ASP B 112 9.030 -7.045 -7.066 1.00 0.72 H new ATOM 0 HB3 ASP B 112 9.152 -8.343 -5.896 1.00 0.72 H new ATOM 822 N SER B 113 6.563 -9.310 -4.609 1.00 0.44 N ATOM 823 CA SER B 113 6.164 -10.544 -3.937 1.00 0.43 C ATOM 824 C SER B 113 4.675 -10.564 -3.587 1.00 0.35 C ATOM 825 O SER B 113 4.104 -11.627 -3.349 1.00 0.40 O ATOM 826 CB SER B 113 6.989 -10.733 -2.666 1.00 0.44 C ATOM 827 OG SER B 113 8.377 -10.783 -2.957 1.00 0.55 O ATOM 0 H SER B 113 6.794 -8.543 -3.978 1.00 0.44 H new ATOM 0 HA SER B 113 6.349 -11.363 -4.632 1.00 0.43 H new ATOM 0 HB2 SER B 113 6.789 -9.914 -1.975 1.00 0.44 H new ATOM 0 HB3 SER B 113 6.686 -11.653 -2.166 1.00 0.44 H new ATOM 0 HG SER B 113 8.735 -9.872 -3.001 1.00 0.55 H new ATOM 833 N LEU B 114 4.051 -9.396 -3.553 1.00 0.27 N ATOM 834 CA LEU B 114 2.657 -9.286 -3.148 1.00 0.23 C ATOM 835 C LEU B 114 1.740 -9.842 -4.231 1.00 0.27 C ATOM 836 O LEU B 114 2.017 -9.706 -5.425 1.00 0.30 O ATOM 837 CB LEU B 114 2.316 -7.824 -2.876 1.00 0.17 C ATOM 838 CG LEU B 114 1.106 -7.582 -1.968 1.00 0.14 C ATOM 839 CD1 LEU B 114 1.471 -7.814 -0.510 1.00 0.14 C ATOM 840 CD2 LEU B 114 0.573 -6.176 -2.155 1.00 0.16 C ATOM 0 H LEU B 114 4.489 -8.509 -3.802 1.00 0.27 H new ATOM 0 HA LEU B 114 2.508 -9.867 -2.238 1.00 0.23 H new ATOM 0 HB2 LEU B 114 3.186 -7.345 -2.427 1.00 0.17 H new ATOM 0 HB3 LEU B 114 2.136 -7.328 -3.830 1.00 0.17 H new ATOM 0 HG LEU B 114 0.327 -8.291 -2.247 1.00 0.14 H new ATOM 0 HD11 LEU B 114 0.597 -7.636 0.117 1.00 0.14 H new ATOM 0 HD12 LEU B 114 1.809 -8.842 -0.379 1.00 0.14 H new ATOM 0 HD13 LEU B 114 2.269 -7.130 -0.221 1.00 0.14 H new ATOM 0 HD21 LEU B 114 -0.286 -6.023 -1.502 1.00 0.16 H new ATOM 0 HD22 LEU B 114 1.352 -5.455 -1.905 1.00 0.16 H new ATOM 0 HD23 LEU B 114 0.269 -6.037 -3.193 1.00 0.16 H new ATOM 852 N ASP B 115 0.664 -10.484 -3.805 1.00 0.29 N ATOM 853 CA ASP B 115 -0.294 -11.086 -4.726 1.00 0.34 C ATOM 854 C ASP B 115 -1.131 -10.005 -5.407 1.00 0.33 C ATOM 855 O ASP B 115 -1.680 -9.121 -4.745 1.00 0.29 O ATOM 856 CB ASP B 115 -1.207 -12.056 -3.971 1.00 0.37 C ATOM 857 CG ASP B 115 -1.985 -12.975 -4.895 1.00 0.49 C ATOM 858 OD1 ASP B 115 -2.836 -12.485 -5.661 1.00 1.23 O ATOM 859 OD2 ASP B 115 -1.763 -14.201 -4.847 1.00 1.21 O ATOM 0 H ASP B 115 0.429 -10.603 -2.820 1.00 0.29 H new ATOM 0 HA ASP B 115 0.256 -11.635 -5.491 1.00 0.34 H new ATOM 0 HB2 ASP B 115 -0.605 -12.658 -3.290 1.00 0.37 H new ATOM 0 HB3 ASP B 115 -1.907 -11.487 -3.359 1.00 0.37 H new ATOM 864 N PRO B 116 -1.238 -10.066 -6.746 1.00 0.41 N ATOM 865 CA PRO B 116 -1.968 -9.075 -7.550 1.00 0.46 C ATOM 866 C PRO B 116 -3.456 -9.002 -7.215 1.00 0.42 C ATOM 867 O PRO B 116 -4.131 -8.042 -7.591 1.00 0.47 O ATOM 868 CB PRO B 116 -1.772 -9.556 -8.991 1.00 0.55 C ATOM 869 CG PRO B 116 -1.448 -10.999 -8.859 1.00 0.55 C ATOM 870 CD PRO B 116 -0.647 -11.111 -7.596 1.00 0.50 C ATOM 0 HA PRO B 116 -1.593 -8.069 -7.363 1.00 0.46 H new ATOM 0 HB2 PRO B 116 -2.672 -9.404 -9.586 1.00 0.55 H new ATOM 0 HB3 PRO B 116 -0.967 -9.012 -9.485 1.00 0.55 H new ATOM 0 HG2 PRO B 116 -2.354 -11.602 -8.805 1.00 0.55 H new ATOM 0 HG3 PRO B 116 -0.879 -11.355 -9.718 1.00 0.55 H new ATOM 0 HD2 PRO B 116 -0.738 -12.099 -7.145 1.00 0.50 H new ATOM 0 HD3 PRO B 116 0.414 -10.937 -7.773 1.00 0.50 H new ATOM 878 N SER B 117 -3.967 -10.024 -6.523 1.00 0.36 N ATOM 879 CA SER B 117 -5.367 -10.042 -6.109 1.00 0.37 C ATOM 880 C SER B 117 -5.675 -8.858 -5.193 1.00 0.38 C ATOM 881 O SER B 117 -6.827 -8.452 -5.047 1.00 0.56 O ATOM 882 CB SER B 117 -5.701 -11.354 -5.395 1.00 0.37 C ATOM 883 OG SER B 117 -5.355 -12.471 -6.196 1.00 1.30 O ATOM 0 H SER B 117 -3.432 -10.845 -6.240 1.00 0.36 H new ATOM 0 HA SER B 117 -5.984 -9.962 -7.004 1.00 0.37 H new ATOM 0 HB2 SER B 117 -5.166 -11.402 -4.447 1.00 0.37 H new ATOM 0 HB3 SER B 117 -6.765 -11.385 -5.162 1.00 0.37 H new ATOM 0 HG SER B 117 -4.456 -12.779 -5.957 1.00 1.30 H new ATOM 889 N PHE B 118 -4.638 -8.311 -4.576 1.00 0.28 N ATOM 890 CA PHE B 118 -4.785 -7.128 -3.746 1.00 0.32 C ATOM 891 C PHE B 118 -4.468 -5.897 -4.574 1.00 0.44 C ATOM 892 O PHE B 118 -3.343 -5.403 -4.564 1.00 0.94 O ATOM 893 CB PHE B 118 -3.860 -7.200 -2.535 1.00 0.27 C ATOM 894 CG PHE B 118 -4.048 -8.441 -1.716 1.00 0.23 C ATOM 895 CD1 PHE B 118 -4.826 -8.418 -0.575 1.00 1.22 C ATOM 896 CD2 PHE B 118 -3.441 -9.628 -2.089 1.00 1.21 C ATOM 897 CE1 PHE B 118 -4.997 -9.557 0.180 1.00 1.21 C ATOM 898 CE2 PHE B 118 -3.608 -10.771 -1.340 1.00 1.23 C ATOM 899 CZ PHE B 118 -4.388 -10.738 -0.201 1.00 0.28 C ATOM 0 H PHE B 118 -3.685 -8.669 -4.636 1.00 0.28 H new ATOM 0 HA PHE B 118 -5.812 -7.072 -3.384 1.00 0.32 H new ATOM 0 HB2 PHE B 118 -2.825 -7.150 -2.874 1.00 0.27 H new ATOM 0 HB3 PHE B 118 -4.031 -6.328 -1.904 1.00 0.27 H new ATOM 0 HD1 PHE B 118 -5.305 -7.498 -0.272 1.00 1.22 H new ATOM 0 HD2 PHE B 118 -2.829 -9.658 -2.978 1.00 1.21 H new ATOM 0 HE1 PHE B 118 -5.607 -9.527 1.070 1.00 1.21 H new ATOM 0 HE2 PHE B 118 -3.130 -11.691 -1.642 1.00 1.23 H new ATOM 0 HZ PHE B 118 -4.522 -11.632 0.390 1.00 0.28 H new ATOM 909 N THR B 119 -5.470 -5.415 -5.292 1.00 0.39 N ATOM 910 CA THR B 119 -5.287 -4.316 -6.223 1.00 0.39 C ATOM 911 C THR B 119 -4.754 -3.063 -5.535 1.00 0.41 C ATOM 912 O THR B 119 -3.748 -2.502 -5.954 1.00 0.45 O ATOM 913 CB THR B 119 -6.606 -3.984 -6.943 1.00 0.44 C ATOM 914 OG1 THR B 119 -7.055 -5.128 -7.684 1.00 0.48 O ATOM 915 CG2 THR B 119 -6.431 -2.798 -7.881 1.00 0.45 C ATOM 0 H THR B 119 -6.425 -5.772 -5.246 1.00 0.39 H new ATOM 0 HA THR B 119 -4.546 -4.643 -6.953 1.00 0.39 H new ATOM 0 HB THR B 119 -7.351 -3.720 -6.192 1.00 0.44 H new ATOM 0 HG1 THR B 119 -7.896 -4.913 -8.140 1.00 0.48 H new ATOM 0 HG21 THR B 119 -7.378 -2.584 -8.377 1.00 0.45 H new ATOM 0 HG22 THR B 119 -6.116 -1.925 -7.309 1.00 0.45 H new ATOM 0 HG23 THR B 119 -5.674 -3.034 -8.629 1.00 0.45 H new ATOM 923 N HIS B 120 -5.423 -2.633 -4.480 1.00 0.44 N ATOM 924 CA HIS B 120 -5.069 -1.387 -3.822 1.00 0.51 C ATOM 925 C HIS B 120 -3.748 -1.513 -3.076 1.00 0.47 C ATOM 926 O HIS B 120 -2.934 -0.595 -3.092 1.00 0.57 O ATOM 927 CB HIS B 120 -6.190 -0.943 -2.895 1.00 0.60 C ATOM 928 CG HIS B 120 -7.475 -0.705 -3.625 1.00 0.92 C ATOM 929 ND1 HIS B 120 -7.588 0.155 -4.697 1.00 1.09 N ATOM 930 CD2 HIS B 120 -8.695 -1.256 -3.457 1.00 1.19 C ATOM 931 CE1 HIS B 120 -8.826 0.116 -5.158 1.00 1.40 C ATOM 932 NE2 HIS B 120 -9.520 -0.735 -4.422 1.00 1.47 N ATOM 0 H HIS B 120 -6.212 -3.126 -4.061 1.00 0.44 H new ATOM 0 HA HIS B 120 -4.936 -0.621 -4.586 1.00 0.51 H new ATOM 0 HB2 HIS B 120 -6.346 -1.702 -2.129 1.00 0.60 H new ATOM 0 HB3 HIS B 120 -5.892 -0.029 -2.382 1.00 0.60 H new ATOM 0 HD1 HIS B 120 -6.835 0.730 -5.075 1.00 1.09 H new ATOM 0 HD2 HIS B 120 -8.972 -1.976 -2.701 1.00 1.19 H new ATOM 0 HE1 HIS B 120 -9.206 0.683 -5.995 1.00 1.40 H new ATOM 0 HE2 HIS B 120 -10.505 -0.966 -4.550 1.00 1.47 H new ATOM 941 N ALA B 121 -3.533 -2.653 -2.437 1.00 0.37 N ATOM 942 CA ALA B 121 -2.267 -2.931 -1.768 1.00 0.33 C ATOM 943 C ALA B 121 -1.118 -2.867 -2.764 1.00 0.38 C ATOM 944 O ALA B 121 -0.056 -2.310 -2.487 1.00 0.47 O ATOM 945 CB ALA B 121 -2.311 -4.292 -1.101 1.00 0.27 C ATOM 0 H ALA B 121 -4.220 -3.404 -2.366 1.00 0.37 H new ATOM 0 HA ALA B 121 -2.105 -2.173 -1.001 1.00 0.33 H new ATOM 0 HB1 ALA B 121 -1.359 -4.486 -0.606 1.00 0.27 H new ATOM 0 HB2 ALA B 121 -3.114 -4.310 -0.364 1.00 0.27 H new ATOM 0 HB3 ALA B 121 -2.492 -5.060 -1.853 1.00 0.27 H new ATOM 951 N MET B 122 -1.369 -3.420 -3.937 1.00 0.35 N ATOM 952 CA MET B 122 -0.396 -3.419 -5.018 1.00 0.34 C ATOM 953 C MET B 122 -0.230 -2.020 -5.599 1.00 0.38 C ATOM 954 O MET B 122 0.875 -1.602 -5.951 1.00 0.41 O ATOM 955 CB MET B 122 -0.827 -4.406 -6.104 1.00 0.37 C ATOM 956 CG MET B 122 -0.492 -5.854 -5.792 1.00 0.38 C ATOM 957 SD MET B 122 1.172 -6.329 -6.317 1.00 0.49 S ATOM 958 CE MET B 122 2.192 -5.203 -5.373 1.00 0.63 C ATOM 0 H MET B 122 -2.249 -3.881 -4.168 1.00 0.35 H new ATOM 0 HA MET B 122 0.569 -3.731 -4.619 1.00 0.34 H new ATOM 0 HB2 MET B 122 -1.903 -4.317 -6.255 1.00 0.37 H new ATOM 0 HB3 MET B 122 -0.349 -4.128 -7.043 1.00 0.37 H new ATOM 0 HG2 MET B 122 -0.589 -6.019 -4.719 1.00 0.38 H new ATOM 0 HG3 MET B 122 -1.219 -6.502 -6.281 1.00 0.38 H new ATOM 0 HE1 MET B 122 3.243 -5.444 -5.532 1.00 0.63 H new ATOM 0 HE2 MET B 122 2.001 -4.180 -5.698 1.00 0.63 H new ATOM 0 HE3 MET B 122 1.954 -5.298 -4.314 1.00 0.63 H new ATOM 968 N GLN B 123 -1.338 -1.303 -5.680 1.00 0.44 N ATOM 969 CA GLN B 123 -1.344 0.054 -6.208 1.00 0.53 C ATOM 970 C GLN B 123 -0.617 1.020 -5.273 1.00 0.54 C ATOM 971 O GLN B 123 0.192 1.832 -5.728 1.00 0.62 O ATOM 972 CB GLN B 123 -2.787 0.498 -6.485 1.00 0.65 C ATOM 973 CG GLN B 123 -3.013 2.001 -6.472 1.00 0.83 C ATOM 974 CD GLN B 123 -4.490 2.354 -6.475 1.00 1.12 C ATOM 975 OE1 GLN B 123 -5.323 1.605 -5.953 1.00 1.60 O ATOM 976 NE2 GLN B 123 -4.827 3.495 -7.055 1.00 1.76 N ATOM 0 H GLN B 123 -2.254 -1.641 -5.384 1.00 0.44 H new ATOM 0 HA GLN B 123 -0.797 0.067 -7.151 1.00 0.53 H new ATOM 0 HB2 GLN B 123 -3.090 0.109 -7.457 1.00 0.65 H new ATOM 0 HB3 GLN B 123 -3.440 0.042 -5.741 1.00 0.65 H new ATOM 0 HG2 GLN B 123 -2.539 2.431 -5.590 1.00 0.83 H new ATOM 0 HG3 GLN B 123 -2.532 2.448 -7.342 1.00 0.83 H new ATOM 0 HE21 GLN B 123 -4.109 4.085 -7.475 1.00 1.76 H new ATOM 0 HE22 GLN B 123 -5.805 3.784 -7.082 1.00 1.76 H new ATOM 985 N LEU B 124 -0.873 0.922 -3.975 1.00 0.49 N ATOM 986 CA LEU B 124 -0.254 1.828 -3.017 1.00 0.50 C ATOM 987 C LEU B 124 1.255 1.589 -2.942 1.00 0.45 C ATOM 988 O LEU B 124 2.036 2.532 -2.803 1.00 0.52 O ATOM 989 CB LEU B 124 -0.919 1.700 -1.646 1.00 0.50 C ATOM 990 CG LEU B 124 -2.403 2.077 -1.620 1.00 0.56 C ATOM 991 CD1 LEU B 124 -3.062 1.589 -0.338 1.00 0.49 C ATOM 992 CD2 LEU B 124 -2.572 3.582 -1.763 1.00 0.83 C ATOM 0 H LEU B 124 -1.500 0.230 -3.564 1.00 0.49 H new ATOM 0 HA LEU B 124 -0.404 2.852 -3.359 1.00 0.50 H new ATOM 0 HB2 LEU B 124 -0.813 0.672 -1.300 1.00 0.50 H new ATOM 0 HB3 LEU B 124 -0.384 2.332 -0.937 1.00 0.50 H new ATOM 0 HG LEU B 124 -2.893 1.590 -2.463 1.00 0.56 H new ATOM 0 HD11 LEU B 124 -4.116 1.868 -0.342 1.00 0.49 H new ATOM 0 HD12 LEU B 124 -2.974 0.504 -0.274 1.00 0.49 H new ATOM 0 HD13 LEU B 124 -2.569 2.045 0.521 1.00 0.49 H new ATOM 0 HD21 LEU B 124 -3.633 3.833 -1.743 1.00 0.83 H new ATOM 0 HD22 LEU B 124 -2.064 4.085 -0.940 1.00 0.83 H new ATOM 0 HD23 LEU B 124 -2.140 3.908 -2.709 1.00 0.83 H new ATOM 1004 N LEU B 125 1.657 0.326 -3.063 1.00 0.37 N ATOM 1005 CA LEU B 125 3.076 -0.028 -3.099 1.00 0.35 C ATOM 1006 C LEU B 125 3.717 0.574 -4.336 1.00 0.46 C ATOM 1007 O LEU B 125 4.835 1.075 -4.292 1.00 0.52 O ATOM 1008 CB LEU B 125 3.264 -1.547 -3.143 1.00 0.28 C ATOM 1009 CG LEU B 125 3.233 -2.277 -1.808 1.00 0.25 C ATOM 1010 CD1 LEU B 125 3.153 -3.772 -2.054 1.00 0.21 C ATOM 1011 CD2 LEU B 125 4.474 -1.946 -0.994 1.00 0.33 C ATOM 0 H LEU B 125 1.022 -0.469 -3.138 1.00 0.37 H new ATOM 0 HA LEU B 125 3.545 0.362 -2.195 1.00 0.35 H new ATOM 0 HB2 LEU B 125 2.486 -1.968 -3.780 1.00 0.28 H new ATOM 0 HB3 LEU B 125 4.219 -1.758 -3.625 1.00 0.28 H new ATOM 0 HG LEU B 125 2.357 -1.955 -1.245 1.00 0.25 H new ATOM 0 HD11 LEU B 125 3.131 -4.297 -1.099 1.00 0.21 H new ATOM 0 HD12 LEU B 125 2.247 -4.000 -2.615 1.00 0.21 H new ATOM 0 HD13 LEU B 125 4.024 -4.094 -2.625 1.00 0.21 H new ATOM 0 HD21 LEU B 125 4.437 -2.476 -0.042 1.00 0.33 H new ATOM 0 HD22 LEU B 125 5.363 -2.252 -1.545 1.00 0.33 H new ATOM 0 HD23 LEU B 125 4.513 -0.872 -0.810 1.00 0.33 H new ATOM 1023 N THR B 126 2.976 0.541 -5.429 1.00 0.55 N ATOM 1024 CA THR B 126 3.502 1.013 -6.693 1.00 0.74 C ATOM 1025 C THR B 126 3.679 2.527 -6.667 1.00 0.92 C ATOM 1026 O THR B 126 4.724 3.050 -7.058 1.00 1.07 O ATOM 1027 CB THR B 126 2.582 0.603 -7.859 1.00 0.81 C ATOM 1028 OG1 THR B 126 2.538 -0.829 -7.960 1.00 0.86 O ATOM 1029 CG2 THR B 126 3.056 1.203 -9.175 1.00 0.91 C ATOM 0 H THR B 126 2.017 0.195 -5.466 1.00 0.55 H new ATOM 0 HA THR B 126 4.477 0.550 -6.847 1.00 0.74 H new ATOM 0 HB THR B 126 1.582 0.987 -7.656 1.00 0.81 H new ATOM 0 HG1 THR B 126 1.847 -1.178 -7.359 1.00 0.86 H new ATOM 0 HG21 THR B 126 2.386 0.895 -9.978 1.00 0.91 H new ATOM 0 HG22 THR B 126 3.056 2.290 -9.100 1.00 0.91 H new ATOM 0 HG23 THR B 126 4.066 0.854 -9.391 1.00 0.91 H new ATOM 1037 N ALA B 127 2.660 3.217 -6.169 1.00 0.96 N ATOM 1038 CA ALA B 127 2.657 4.670 -6.120 1.00 1.09 C ATOM 1039 C ALA B 127 3.785 5.215 -5.247 1.00 1.18 C ATOM 1040 O ALA B 127 4.457 6.181 -5.616 1.00 1.38 O ATOM 1041 CB ALA B 127 1.312 5.153 -5.608 1.00 1.18 C ATOM 0 H ALA B 127 1.817 2.785 -5.790 1.00 0.96 H new ATOM 0 HA ALA B 127 2.825 5.044 -7.130 1.00 1.09 H new ATOM 0 HB1 ALA B 127 1.307 6.242 -5.570 1.00 1.18 H new ATOM 0 HB2 ALA B 127 0.523 4.809 -6.277 1.00 1.18 H new ATOM 0 HB3 ALA B 127 1.139 4.754 -4.608 1.00 1.18 H new ATOM 1047 N GLU B 128 3.977 4.599 -4.080 1.00 1.12 N ATOM 1048 CA GLU B 128 5.029 5.021 -3.159 1.00 1.31 C ATOM 1049 C GLU B 128 6.399 4.883 -3.812 1.00 1.38 C ATOM 1050 O GLU B 128 7.274 5.733 -3.641 1.00 1.62 O ATOM 1051 CB GLU B 128 4.982 4.203 -1.873 1.00 1.35 C ATOM 1052 CG GLU B 128 5.836 4.783 -0.759 1.00 1.46 C ATOM 1053 CD GLU B 128 5.300 6.101 -0.234 1.00 1.46 C ATOM 1054 OE1 GLU B 128 5.580 7.150 -0.846 1.00 2.01 O ATOM 1055 OE2 GLU B 128 4.602 6.096 0.798 1.00 1.95 O ATOM 0 H GLU B 128 3.420 3.810 -3.753 1.00 1.12 H new ATOM 0 HA GLU B 128 4.860 6.069 -2.912 1.00 1.31 H new ATOM 0 HB2 GLU B 128 3.949 4.135 -1.531 1.00 1.35 H new ATOM 0 HB3 GLU B 128 5.315 3.187 -2.085 1.00 1.35 H new ATOM 0 HG2 GLU B 128 5.892 4.066 0.060 1.00 1.46 H new ATOM 0 HG3 GLU B 128 6.852 4.929 -1.125 1.00 1.46 H new ATOM 1062 N ILE B 129 6.565 3.821 -4.590 1.00 1.24 N ATOM 1063 CA ILE B 129 7.809 3.598 -5.309 1.00 1.42 C ATOM 1064 C ILE B 129 8.028 4.696 -6.342 1.00 1.64 C ATOM 1065 O ILE B 129 9.135 5.219 -6.480 1.00 1.92 O ATOM 1066 CB ILE B 129 7.828 2.218 -5.991 1.00 1.32 C ATOM 1067 CG1 ILE B 129 7.816 1.126 -4.927 1.00 1.14 C ATOM 1068 CG2 ILE B 129 9.049 2.069 -6.896 1.00 1.59 C ATOM 1069 CD1 ILE B 129 7.676 -0.266 -5.486 1.00 1.01 C ATOM 0 H ILE B 129 5.855 3.104 -4.738 1.00 1.24 H new ATOM 0 HA ILE B 129 8.621 3.624 -4.582 1.00 1.42 H new ATOM 0 HB ILE B 129 6.940 2.124 -6.616 1.00 1.32 H new ATOM 0 HG12 ILE B 129 8.738 1.184 -4.349 1.00 1.14 H new ATOM 0 HG13 ILE B 129 6.995 1.314 -4.236 1.00 1.14 H new ATOM 0 HG21 ILE B 129 9.037 1.085 -7.365 1.00 1.59 H new ATOM 0 HG22 ILE B 129 9.026 2.839 -7.668 1.00 1.59 H new ATOM 0 HG23 ILE B 129 9.957 2.177 -6.303 1.00 1.59 H new ATOM 0 HD11 ILE B 129 7.675 -0.988 -4.669 1.00 1.01 H new ATOM 0 HD12 ILE B 129 6.740 -0.343 -6.039 1.00 1.01 H new ATOM 0 HD13 ILE B 129 8.511 -0.475 -6.155 1.00 1.01 H new ATOM 1081 N GLU B 130 6.953 5.069 -7.031 1.00 1.55 N ATOM 1082 CA GLU B 130 7.009 6.131 -8.026 1.00 1.76 C ATOM 1083 C GLU B 130 7.518 7.422 -7.393 1.00 1.94 C ATOM 1084 O GLU B 130 8.332 8.131 -7.979 1.00 2.19 O ATOM 1085 CB GLU B 130 5.625 6.371 -8.638 1.00 1.67 C ATOM 1086 CG GLU B 130 5.067 5.175 -9.394 1.00 1.60 C ATOM 1087 CD GLU B 130 3.753 5.481 -10.083 1.00 1.81 C ATOM 1088 OE1 GLU B 130 3.763 5.699 -11.315 1.00 2.25 O ATOM 1089 OE2 GLU B 130 2.705 5.513 -9.402 1.00 2.16 O ATOM 0 H GLU B 130 6.031 4.649 -6.916 1.00 1.55 H new ATOM 0 HA GLU B 130 7.695 5.822 -8.815 1.00 1.76 H new ATOM 0 HB2 GLU B 130 4.930 6.642 -7.843 1.00 1.67 H new ATOM 0 HB3 GLU B 130 5.682 7.222 -9.316 1.00 1.67 H new ATOM 0 HG2 GLU B 130 5.795 4.848 -10.137 1.00 1.60 H new ATOM 0 HG3 GLU B 130 4.925 4.346 -8.701 1.00 1.60 H new ATOM 1096 N LYS B 131 7.054 7.693 -6.177 1.00 1.85 N ATOM 1097 CA LYS B 131 7.413 8.913 -5.461 1.00 2.07 C ATOM 1098 C LYS B 131 8.902 8.937 -5.117 1.00 2.28 C ATOM 1099 O LYS B 131 9.569 9.957 -5.282 1.00 2.53 O ATOM 1100 CB LYS B 131 6.592 9.033 -4.177 1.00 2.03 C ATOM 1101 CG LYS B 131 6.786 10.354 -3.448 1.00 2.33 C ATOM 1102 CD LYS B 131 6.533 10.201 -1.960 1.00 2.59 C ATOM 1103 CE LYS B 131 7.642 9.399 -1.298 1.00 3.17 C ATOM 1104 NZ LYS B 131 7.288 8.989 0.082 1.00 3.73 N ATOM 0 H LYS B 131 6.423 7.078 -5.663 1.00 1.85 H new ATOM 0 HA LYS B 131 7.195 9.757 -6.115 1.00 2.07 H new ATOM 0 HB2 LYS B 131 5.536 8.914 -4.419 1.00 2.03 H new ATOM 0 HB3 LYS B 131 6.860 8.216 -3.507 1.00 2.03 H new ATOM 0 HG2 LYS B 131 7.801 10.717 -3.612 1.00 2.33 H new ATOM 0 HG3 LYS B 131 6.109 11.103 -3.860 1.00 2.33 H new ATOM 0 HD2 LYS B 131 6.464 11.185 -1.496 1.00 2.59 H new ATOM 0 HD3 LYS B 131 5.576 9.706 -1.799 1.00 2.59 H new ATOM 0 HE2 LYS B 131 7.854 8.512 -1.896 1.00 3.17 H new ATOM 0 HE3 LYS B 131 8.555 9.994 -1.276 1.00 3.17 H new ATOM 0 HZ1 LYS B 131 8.127 8.596 0.553 1.00 3.73 H new ATOM 0 HZ2 LYS B 131 6.948 9.816 0.613 1.00 3.73 H new ATOM 0 HZ3 LYS B 131 6.540 8.267 0.049 1.00 3.73 H new ATOM 1118 N ILE B 132 9.422 7.816 -4.638 1.00 2.21 N ATOM 1119 CA ILE B 132 10.836 7.729 -4.301 1.00 2.47 C ATOM 1120 C ILE B 132 11.700 7.783 -5.557 1.00 2.68 C ATOM 1121 O ILE B 132 12.743 8.437 -5.579 1.00 2.98 O ATOM 1122 CB ILE B 132 11.154 6.434 -3.537 1.00 2.40 C ATOM 1123 CG1 ILE B 132 10.146 6.219 -2.412 1.00 2.18 C ATOM 1124 CG2 ILE B 132 12.568 6.478 -2.979 1.00 2.72 C ATOM 1125 CD1 ILE B 132 10.452 5.013 -1.561 1.00 2.19 C ATOM 0 H ILE B 132 8.891 6.960 -4.475 1.00 2.21 H new ATOM 0 HA ILE B 132 11.062 8.584 -3.663 1.00 2.47 H new ATOM 0 HB ILE B 132 11.083 5.597 -4.232 1.00 2.40 H new ATOM 0 HG12 ILE B 132 10.124 7.106 -1.779 1.00 2.18 H new ATOM 0 HG13 ILE B 132 9.150 6.109 -2.842 1.00 2.18 H new ATOM 0 HG21 ILE B 132 12.776 5.553 -2.441 1.00 2.72 H new ATOM 0 HG22 ILE B 132 13.279 6.589 -3.798 1.00 2.72 H new ATOM 0 HG23 ILE B 132 12.664 7.323 -2.298 1.00 2.72 H new ATOM 0 HD11 ILE B 132 9.697 4.918 -0.780 1.00 2.19 H new ATOM 0 HD12 ILE B 132 10.446 4.118 -2.183 1.00 2.19 H new ATOM 0 HD13 ILE B 132 11.434 5.130 -1.104 1.00 2.19 H new ATOM 1137 N GLN B 133 11.257 7.091 -6.598 1.00 2.56 N ATOM 1138 CA GLN B 133 11.996 7.040 -7.857 1.00 2.81 C ATOM 1139 C GLN B 133 12.086 8.415 -8.512 1.00 2.97 C ATOM 1140 O GLN B 133 13.131 8.786 -9.042 1.00 3.27 O ATOM 1141 CB GLN B 133 11.356 6.042 -8.826 1.00 2.72 C ATOM 1142 CG GLN B 133 11.445 4.592 -8.370 1.00 2.73 C ATOM 1143 CD GLN B 133 12.867 4.056 -8.334 1.00 2.94 C ATOM 1144 OE1 GLN B 133 13.830 4.798 -8.121 1.00 3.49 O ATOM 1145 NE2 GLN B 133 13.009 2.759 -8.543 1.00 2.90 N ATOM 0 H GLN B 133 10.389 6.556 -6.598 1.00 2.56 H new ATOM 0 HA GLN B 133 13.007 6.708 -7.623 1.00 2.81 H new ATOM 0 HB2 GLN B 133 10.307 6.305 -8.963 1.00 2.72 H new ATOM 0 HB3 GLN B 133 11.838 6.136 -9.799 1.00 2.72 H new ATOM 0 HG2 GLN B 133 11.006 4.504 -7.376 1.00 2.73 H new ATOM 0 HG3 GLN B 133 10.848 3.972 -9.038 1.00 2.73 H new ATOM 0 HE21 GLN B 133 12.189 2.177 -8.716 1.00 2.90 H new ATOM 0 HE22 GLN B 133 13.939 2.339 -8.532 1.00 2.90 H new ATOM 1154 N LYS B 134 10.991 9.166 -8.473 1.00 2.82 N ATOM 1155 CA LYS B 134 10.962 10.496 -9.074 1.00 3.02 C ATOM 1156 C LYS B 134 11.739 11.494 -8.221 1.00 3.29 C ATOM 1157 O LYS B 134 12.457 12.348 -8.746 1.00 3.54 O ATOM 1158 CB LYS B 134 9.517 10.986 -9.260 1.00 2.88 C ATOM 1159 CG LYS B 134 8.744 11.138 -7.959 1.00 2.84 C ATOM 1160 CD LYS B 134 7.358 11.710 -8.183 1.00 2.90 C ATOM 1161 CE LYS B 134 7.417 13.179 -8.560 1.00 3.30 C ATOM 1162 NZ LYS B 134 7.932 14.021 -7.446 1.00 3.82 N ATOM 0 H LYS B 134 10.116 8.879 -8.034 1.00 2.82 H new ATOM 0 HA LYS B 134 11.435 10.425 -10.053 1.00 3.02 H new ATOM 0 HB2 LYS B 134 9.533 11.946 -9.776 1.00 2.88 H new ATOM 0 HB3 LYS B 134 8.987 10.286 -9.906 1.00 2.88 H new ATOM 0 HG2 LYS B 134 8.660 10.167 -7.472 1.00 2.84 H new ATOM 0 HG3 LYS B 134 9.299 11.788 -7.282 1.00 2.84 H new ATOM 0 HD2 LYS B 134 6.856 11.151 -8.972 1.00 2.90 H new ATOM 0 HD3 LYS B 134 6.763 11.589 -7.278 1.00 2.90 H new ATOM 0 HE2 LYS B 134 8.056 13.303 -9.434 1.00 3.30 H new ATOM 0 HE3 LYS B 134 6.421 13.521 -8.842 1.00 3.30 H new ATOM 0 HZ1 LYS B 134 7.768 15.024 -7.665 1.00 3.82 H new ATOM 0 HZ2 LYS B 134 7.437 13.773 -6.566 1.00 3.82 H new ATOM 0 HZ3 LYS B 134 8.952 13.855 -7.328 1.00 3.82 H new ATOM 1176 N GLY B 135 11.597 11.375 -6.909 1.00 3.29 N ATOM 1177 CA GLY B 135 12.224 12.309 -6.005 1.00 3.59 C ATOM 1178 C GLY B 135 11.270 13.410 -5.597 1.00 4.02 C ATOM 1179 O GLY B 135 10.386 13.763 -6.409 1.00 4.46 O ATOM 1180 OXT GLY B 135 11.385 13.917 -4.463 1.00 4.40 O ATOM 0 H GLY B 135 11.054 10.641 -6.454 1.00 3.29 H new ATOM 0 HA2 GLY B 135 12.572 11.780 -5.118 1.00 3.59 H new ATOM 0 HA3 GLY B 135 13.102 12.745 -6.482 1.00 3.59 H new TER 1184 GLY B 135