USER MOD reduce.3.24.130724 H: found=0, std=0, add=1084, rem=0, adj=41 USER MOD reduce.3.24.130724 removed 1087 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 11 GLN : amide:sc= -2.77! C(o=-2.2!,f=-6!) USER MOD Set 1.2: B 134 LYS NZ :NH3+ 172:sc= 0.538 (180deg=-0.144) USER MOD Set 2.1: B 72 HIS : no HE2:sc= 1.41 K(o=0.47,f=-5.6!) USER MOD Set 2.2: B 116 ASN :FLIP amide:sc= -0.938 F(o=-0.14,f=0.47) USER MOD Set 3.1: B 54 TYR OH : rot -86:sc= 0.354 USER MOD Set 3.2: B 61 GLN :FLIP amide:sc= 1.45 F(o=0.87,f=1.8) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 4 MET CE :methyl -158:sc= -0.177 (180deg=-0.831) USER MOD Single : A 7 ASN : amide:sc= -0.222 X(o=-0.22,f=0) USER MOD Single : A 9 ASN : amide:sc= -0.649 X(o=-0.65,f=-0.65) USER MOD Single : A 10 SER OG : rot 180:sc= 0.00971 USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 SER OG : rot 180:sc= -0.0134 USER MOD Single : A 31 GLN : amide:sc= -0.673 X(o=-0.67,f=-0.25) USER MOD Single : A 32 GLN :FLIP amide:sc= -0.0351 F(o=-1.6!,f=-0.035) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : B 41 MET CE :methyl -141:sc= -0.115 (180deg=-0.534) USER MOD Single : B 42 ASN :FLIP amide:sc= 0 F(o=-0.5,f=0) USER MOD Single : B 43 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0272) USER MOD Single : B 44 THR OG1 : rot 180:sc= 0.0104 USER MOD Single : B 46 LYS NZ :NH3+ 163:sc= 0.417 (180deg=-0.219!) USER MOD Single : B 47 THR OG1 : rot 118:sc= 1.23 USER MOD Single : B 48 LYS NZ :NH3+ -169:sc= 1.23 (180deg=1.17) USER MOD Single : B 55 GLN : amide:sc= -0.975 K(o=-0.97,f=-1.7) USER MOD Single : B 56 ASN : amide:sc= 1.2 K(o=1.2,f=-0.22) USER MOD Single : B 57 SER OG : rot -160:sc= 0 USER MOD Single : B 65 LYS NZ :NH3+ -173:sc=-0.00216 (180deg=-0.104) USER MOD Single : B 66 TYR OH : rot 180:sc= 0 USER MOD Single : B 67 ASN : amide:sc= 1.07 K(o=1.1,f=-1.3!) USER MOD Single : B 68 THR OG1 : rot 180:sc= -0.671 USER MOD Single : B 70 LYS NZ :NH3+ 158:sc= 1.28 (180deg=0.995) USER MOD Single : B 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 77 TYR OH : rot 180:sc= 0 USER MOD Single : B 81 SER OG : rot 180:sc= 0 USER MOD Single : B 82 SER OG : rot -1:sc= 1.11 USER MOD Single : B 83 THR OG1 : rot 180:sc= 0 USER MOD Single : B 85 ASN : amide:sc= -0.143 X(o=-0.14,f=-0.012) USER MOD Single : B 88 SER OG : rot 121:sc= 1.2 USER MOD Single : B 89 SER OG : rot -170:sc= 0 USER MOD Single : B 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 92 MET CE :methyl -160:sc= -0.318 (180deg=-1.26) USER MOD Single : B 93 ASN :FLIP amide:sc= 0 F(o=-0.95,f=0) USER MOD Single : B 94 SER OG : rot 180:sc= 0.0134 USER MOD Single : B 97 GLN :FLIP amide:sc= -0.106 F(o=-3.6,f=-0.11) USER MOD Single : B 98 LYS NZ :NH3+ 170:sc= 0.78 (180deg=0.69) USER MOD Single : B 103 ASN : amide:sc= 1.03 K(o=1,f=-0.099) USER MOD Single : B 104 TYR OH : rot 180:sc= 0 USER MOD Single : B 106 ASN : amide:sc= -0.259 X(o=-0.26,f=-0.56) USER MOD Single : B 107 THR OG1 : rot -8:sc= 1.25 USER MOD Single : B 110 TYR OH : rot 180:sc= 0 USER MOD Single : B 114 HIS : no HD1:sc= 0 X(o=0,f=-0.0022) USER MOD Single : B 115 TYR OH : rot 180:sc= 0 USER MOD Single : B 123 CYS SG : rot -3:sc= 0.324 USER MOD Single : B 124 GLN : amide:sc= -0.316! K(o=-0.32!,f=-0.9) USER MOD Single : B 129 LYS NZ :NH3+ 163:sc= 1.25 (180deg=1.13) USER MOD Single : B 131 ASN : amide:sc= 0.86 K(o=0.86,f=-1.1) USER MOD Single : B 135 LYS NZ :NH3+ -162:sc= 0.92 (180deg=0.712) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 14.075 -14.286 -14.101 1.00 0.00 N ATOM 2 CA GLY A 1 13.237 -13.063 -14.092 1.00 0.00 C ATOM 3 C GLY A 1 14.026 -11.837 -14.503 1.00 0.00 C ATOM 4 O GLY A 1 14.913 -11.396 -13.771 1.00 0.00 O ATOM 0 H1 GLY A 1 13.499 -15.103 -13.814 1.00 0.00 H new ATOM 0 H2 GLY A 1 14.448 -14.444 -15.059 1.00 0.00 H new ATOM 0 H3 GLY A 1 14.866 -14.170 -13.436 1.00 0.00 H new ATOM 0 HA2 GLY A 1 12.393 -13.196 -14.769 1.00 0.00 H new ATOM 0 HA3 GLY A 1 12.825 -12.912 -13.094 1.00 0.00 H new ATOM 10 N PRO A 2 13.726 -11.263 -15.678 1.00 0.00 N ATOM 11 CA PRO A 2 14.444 -10.095 -16.186 1.00 0.00 C ATOM 12 C PRO A 2 14.001 -8.809 -15.498 1.00 0.00 C ATOM 13 O PRO A 2 12.852 -8.685 -15.068 1.00 0.00 O ATOM 14 CB PRO A 2 14.061 -10.072 -17.663 1.00 0.00 C ATOM 15 CG PRO A 2 12.700 -10.680 -17.707 1.00 0.00 C ATOM 16 CD PRO A 2 12.656 -11.699 -16.598 1.00 0.00 C ATOM 0 HA PRO A 2 15.518 -10.157 -16.010 1.00 0.00 H new ATOM 0 HB2 PRO A 2 14.054 -9.055 -18.055 1.00 0.00 H new ATOM 0 HB3 PRO A 2 14.769 -10.641 -18.265 1.00 0.00 H new ATOM 0 HG2 PRO A 2 11.930 -9.921 -17.568 1.00 0.00 H new ATOM 0 HG3 PRO A 2 12.515 -11.149 -18.673 1.00 0.00 H new ATOM 0 HD2 PRO A 2 11.684 -11.712 -16.104 1.00 0.00 H new ATOM 0 HD3 PRO A 2 12.836 -12.707 -16.973 1.00 0.00 H new ATOM 24 N HIS A 3 14.910 -7.853 -15.389 1.00 0.00 N ATOM 25 CA HIS A 3 14.583 -6.571 -14.784 1.00 0.00 C ATOM 26 C HIS A 3 13.906 -5.669 -15.792 1.00 0.00 C ATOM 27 O HIS A 3 14.473 -4.687 -16.265 1.00 0.00 O ATOM 28 CB HIS A 3 15.829 -5.898 -14.205 1.00 0.00 C ATOM 29 CG HIS A 3 16.530 -6.731 -13.182 1.00 0.00 C ATOM 30 ND1 HIS A 3 16.085 -6.865 -11.889 1.00 0.00 N ATOM 31 CD2 HIS A 3 17.637 -7.502 -13.277 1.00 0.00 C ATOM 32 CE1 HIS A 3 16.887 -7.678 -11.233 1.00 0.00 C ATOM 33 NE2 HIS A 3 17.840 -8.079 -12.051 1.00 0.00 N ATOM 0 H HIS A 3 15.875 -7.939 -15.709 1.00 0.00 H new ATOM 0 HA HIS A 3 13.891 -6.752 -13.961 1.00 0.00 H new ATOM 0 HB2 HIS A 3 16.521 -5.672 -15.016 1.00 0.00 H new ATOM 0 HB3 HIS A 3 15.544 -4.947 -13.755 1.00 0.00 H new ATOM 0 HD2 HIS A 3 18.248 -7.638 -14.157 1.00 0.00 H new ATOM 0 HE1 HIS A 3 16.782 -7.968 -10.198 1.00 0.00 H new ATOM 0 HE2 HIS A 3 18.602 -8.713 -11.811 1.00 0.00 H new ATOM 42 N MET A 4 12.678 -6.023 -16.103 1.00 0.00 N ATOM 43 CA MET A 4 11.891 -5.304 -17.081 1.00 0.00 C ATOM 44 C MET A 4 10.849 -4.448 -16.381 1.00 0.00 C ATOM 45 O MET A 4 9.817 -4.086 -16.948 1.00 0.00 O ATOM 46 CB MET A 4 11.238 -6.307 -18.025 1.00 0.00 C ATOM 47 CG MET A 4 10.162 -7.166 -17.371 1.00 0.00 C ATOM 48 SD MET A 4 9.399 -8.326 -18.523 1.00 0.00 S ATOM 49 CE MET A 4 8.711 -7.194 -19.729 1.00 0.00 C ATOM 0 H MET A 4 12.196 -6.819 -15.684 1.00 0.00 H new ATOM 0 HA MET A 4 12.531 -4.640 -17.662 1.00 0.00 H new ATOM 0 HB2 MET A 4 10.798 -5.767 -18.863 1.00 0.00 H new ATOM 0 HB3 MET A 4 12.009 -6.959 -18.435 1.00 0.00 H new ATOM 0 HG2 MET A 4 10.600 -7.720 -16.541 1.00 0.00 H new ATOM 0 HG3 MET A 4 9.392 -6.519 -16.951 1.00 0.00 H new ATOM 0 HE1 MET A 4 7.903 -7.686 -20.270 1.00 0.00 H new ATOM 0 HE2 MET A 4 8.323 -6.312 -19.220 1.00 0.00 H new ATOM 0 HE3 MET A 4 9.488 -6.894 -20.432 1.00 0.00 H new ATOM 59 N PHE A 5 11.150 -4.124 -15.142 1.00 0.00 N ATOM 60 CA PHE A 5 10.254 -3.376 -14.289 1.00 0.00 C ATOM 61 C PHE A 5 11.058 -2.431 -13.409 1.00 0.00 C ATOM 62 O PHE A 5 12.289 -2.419 -13.466 1.00 0.00 O ATOM 63 CB PHE A 5 9.427 -4.341 -13.430 1.00 0.00 C ATOM 64 CG PHE A 5 10.245 -5.234 -12.531 1.00 0.00 C ATOM 65 CD1 PHE A 5 10.841 -6.384 -13.027 1.00 0.00 C ATOM 66 CD2 PHE A 5 10.408 -4.928 -11.189 1.00 0.00 C ATOM 67 CE1 PHE A 5 11.583 -7.209 -12.204 1.00 0.00 C ATOM 68 CE2 PHE A 5 11.150 -5.748 -10.360 1.00 0.00 C ATOM 69 CZ PHE A 5 11.738 -6.891 -10.869 1.00 0.00 C ATOM 0 H PHE A 5 12.032 -4.375 -14.695 1.00 0.00 H new ATOM 0 HA PHE A 5 9.572 -2.788 -14.903 1.00 0.00 H new ATOM 0 HB2 PHE A 5 8.738 -3.762 -12.816 1.00 0.00 H new ATOM 0 HB3 PHE A 5 8.821 -4.965 -14.087 1.00 0.00 H new ATOM 0 HD1 PHE A 5 10.723 -6.638 -14.070 1.00 0.00 H new ATOM 0 HD2 PHE A 5 9.949 -4.037 -10.786 1.00 0.00 H new ATOM 0 HE1 PHE A 5 12.041 -8.101 -12.604 1.00 0.00 H new ATOM 0 HE2 PHE A 5 11.270 -5.496 -9.317 1.00 0.00 H new ATOM 0 HZ PHE A 5 12.318 -7.534 -10.224 1.00 0.00 H new ATOM 79 N ALA A 6 10.370 -1.642 -12.606 1.00 0.00 N ATOM 80 CA ALA A 6 11.025 -0.718 -11.707 1.00 0.00 C ATOM 81 C ALA A 6 10.823 -1.155 -10.269 1.00 0.00 C ATOM 82 O ALA A 6 9.834 -1.811 -9.933 1.00 0.00 O ATOM 83 CB ALA A 6 10.508 0.695 -11.914 1.00 0.00 C ATOM 0 H ALA A 6 9.351 -1.625 -12.560 1.00 0.00 H new ATOM 0 HA ALA A 6 12.093 -0.722 -11.926 1.00 0.00 H new ATOM 0 HB1 ALA A 6 11.015 1.372 -11.227 1.00 0.00 H new ATOM 0 HB2 ALA A 6 10.702 1.007 -12.940 1.00 0.00 H new ATOM 0 HB3 ALA A 6 9.435 0.721 -11.724 1.00 0.00 H new ATOM 89 N ASN A 7 11.750 -0.763 -9.418 1.00 0.00 N ATOM 90 CA ASN A 7 11.769 -1.204 -8.033 1.00 0.00 C ATOM 91 C ASN A 7 10.955 -0.263 -7.160 1.00 0.00 C ATOM 92 O ASN A 7 11.149 -0.181 -5.947 1.00 0.00 O ATOM 93 CB ASN A 7 13.214 -1.290 -7.549 1.00 0.00 C ATOM 94 CG ASN A 7 13.997 -2.342 -8.311 1.00 0.00 C ATOM 95 OD1 ASN A 7 14.186 -3.461 -7.831 1.00 0.00 O ATOM 96 ND2 ASN A 7 14.405 -2.012 -9.530 1.00 0.00 N ATOM 0 H ASN A 7 12.511 -0.131 -9.664 1.00 0.00 H new ATOM 0 HA ASN A 7 11.315 -2.192 -7.963 1.00 0.00 H new ATOM 0 HB2 ASN A 7 13.696 -0.320 -7.668 1.00 0.00 H new ATOM 0 HB3 ASN A 7 13.228 -1.525 -6.485 1.00 0.00 H new ATOM 0 HD21 ASN A 7 14.895 -2.696 -10.106 1.00 0.00 H new ATOM 0 HD22 ASN A 7 14.229 -1.074 -9.890 1.00 0.00 H new ATOM 103 N GLU A 8 10.036 0.444 -7.802 1.00 0.00 N ATOM 104 CA GLU A 8 9.113 1.322 -7.107 1.00 0.00 C ATOM 105 C GLU A 8 8.217 0.508 -6.184 1.00 0.00 C ATOM 106 O GLU A 8 7.873 0.947 -5.087 1.00 0.00 O ATOM 107 CB GLU A 8 8.280 2.112 -8.121 1.00 0.00 C ATOM 108 CG GLU A 8 7.589 1.241 -9.160 1.00 0.00 C ATOM 109 CD GLU A 8 6.967 2.045 -10.283 1.00 0.00 C ATOM 110 OE1 GLU A 8 7.693 2.406 -11.230 1.00 0.00 O ATOM 111 OE2 GLU A 8 5.750 2.306 -10.236 1.00 0.00 O1- ATOM 0 H GLU A 8 9.911 0.424 -8.814 1.00 0.00 H new ATOM 0 HA GLU A 8 9.677 2.031 -6.500 1.00 0.00 H new ATOM 0 HB2 GLU A 8 7.527 2.690 -7.586 1.00 0.00 H new ATOM 0 HB3 GLU A 8 8.927 2.826 -8.631 1.00 0.00 H new ATOM 0 HG2 GLU A 8 8.312 0.541 -9.578 1.00 0.00 H new ATOM 0 HG3 GLU A 8 6.815 0.648 -8.673 1.00 0.00 H new ATOM 118 N ASN A 9 7.875 -0.698 -6.629 1.00 0.00 N ATOM 119 CA ASN A 9 7.051 -1.608 -5.846 1.00 0.00 C ATOM 120 C ASN A 9 7.737 -1.946 -4.535 1.00 0.00 C ATOM 121 O ASN A 9 7.102 -1.976 -3.487 1.00 0.00 O ATOM 122 CB ASN A 9 6.778 -2.904 -6.613 1.00 0.00 C ATOM 123 CG ASN A 9 6.033 -2.687 -7.914 1.00 0.00 C ATOM 124 OD1 ASN A 9 4.805 -2.661 -7.942 1.00 0.00 O ATOM 125 ND2 ASN A 9 6.773 -2.548 -9.003 1.00 0.00 N ATOM 0 H ASN A 9 8.160 -1.068 -7.536 1.00 0.00 H new ATOM 0 HA ASN A 9 6.104 -1.106 -5.648 1.00 0.00 H new ATOM 0 HB2 ASN A 9 7.726 -3.399 -6.824 1.00 0.00 H new ATOM 0 HB3 ASN A 9 6.200 -3.577 -5.980 1.00 0.00 H new ATOM 0 HD21 ASN A 9 6.326 -2.413 -9.910 1.00 0.00 H new ATOM 0 HD22 ASN A 9 7.790 -2.576 -8.935 1.00 0.00 H new ATOM 132 N SER A 10 9.042 -2.178 -4.606 1.00 0.00 N ATOM 133 CA SER A 10 9.831 -2.550 -3.441 1.00 0.00 C ATOM 134 C SER A 10 9.684 -1.512 -2.329 1.00 0.00 C ATOM 135 O SER A 10 9.571 -1.857 -1.151 1.00 0.00 O ATOM 136 CB SER A 10 11.296 -2.690 -3.851 1.00 0.00 C ATOM 137 OG SER A 10 11.411 -3.488 -5.020 1.00 0.00 O ATOM 0 H SER A 10 9.580 -2.114 -5.470 1.00 0.00 H new ATOM 0 HA SER A 10 9.469 -3.503 -3.055 1.00 0.00 H new ATOM 0 HB2 SER A 10 11.725 -1.704 -4.033 1.00 0.00 H new ATOM 0 HB3 SER A 10 11.866 -3.141 -3.038 1.00 0.00 H new ATOM 0 HG SER A 10 12.355 -3.567 -5.271 1.00 0.00 H new ATOM 143 N GLN A 11 9.660 -0.244 -2.717 1.00 0.00 N ATOM 144 CA GLN A 11 9.486 0.840 -1.763 1.00 0.00 C ATOM 145 C GLN A 11 8.041 0.896 -1.279 1.00 0.00 C ATOM 146 O GLN A 11 7.782 1.120 -0.095 1.00 0.00 O ATOM 147 CB GLN A 11 9.885 2.178 -2.394 1.00 0.00 C ATOM 148 CG GLN A 11 11.352 2.266 -2.797 1.00 0.00 C ATOM 149 CD GLN A 11 12.284 2.610 -1.642 1.00 0.00 C ATOM 150 OE1 GLN A 11 13.319 3.241 -1.842 1.00 0.00 O ATOM 151 NE2 GLN A 11 11.933 2.213 -0.430 1.00 0.00 N ATOM 0 H GLN A 11 9.759 0.058 -3.686 1.00 0.00 H new ATOM 0 HA GLN A 11 10.134 0.652 -0.907 1.00 0.00 H new ATOM 0 HB2 GLN A 11 9.267 2.350 -3.275 1.00 0.00 H new ATOM 0 HB3 GLN A 11 9.665 2.979 -1.689 1.00 0.00 H new ATOM 0 HG2 GLN A 11 11.659 1.313 -3.229 1.00 0.00 H new ATOM 0 HG3 GLN A 11 11.461 3.019 -3.577 1.00 0.00 H new ATOM 0 HE21 GLN A 11 11.067 1.691 -0.295 1.00 0.00 H new ATOM 0 HE22 GLN A 11 12.528 2.429 0.370 1.00 0.00 H new ATOM 160 N LEU A 12 7.109 0.686 -2.206 1.00 0.00 N ATOM 161 CA LEU A 12 5.683 0.657 -1.885 1.00 0.00 C ATOM 162 C LEU A 12 5.380 -0.373 -0.802 1.00 0.00 C ATOM 163 O LEU A 12 4.709 -0.069 0.182 1.00 0.00 O ATOM 164 CB LEU A 12 4.854 0.314 -3.127 1.00 0.00 C ATOM 165 CG LEU A 12 4.941 1.305 -4.285 1.00 0.00 C ATOM 166 CD1 LEU A 12 4.036 0.862 -5.417 1.00 0.00 C ATOM 167 CD2 LEU A 12 4.575 2.705 -3.827 1.00 0.00 C ATOM 0 H LEU A 12 7.318 0.532 -3.193 1.00 0.00 H new ATOM 0 HA LEU A 12 5.417 1.650 -1.524 1.00 0.00 H new ATOM 0 HB2 LEU A 12 5.167 -0.665 -3.489 1.00 0.00 H new ATOM 0 HB3 LEU A 12 3.809 0.225 -2.829 1.00 0.00 H new ATOM 0 HG LEU A 12 5.970 1.327 -4.645 1.00 0.00 H new ATOM 0 HD11 LEU A 12 4.105 1.575 -6.238 1.00 0.00 H new ATOM 0 HD12 LEU A 12 4.345 -0.124 -5.765 1.00 0.00 H new ATOM 0 HD13 LEU A 12 3.006 0.815 -5.063 1.00 0.00 H new ATOM 0 HD21 LEU A 12 4.644 3.393 -4.669 1.00 0.00 H new ATOM 0 HD22 LEU A 12 3.556 2.707 -3.440 1.00 0.00 H new ATOM 0 HD23 LEU A 12 5.262 3.022 -3.042 1.00 0.00 H new ATOM 179 N LEU A 13 5.897 -1.584 -0.993 1.00 0.00 N ATOM 180 CA LEU A 13 5.584 -2.720 -0.129 1.00 0.00 C ATOM 181 C LEU A 13 5.837 -2.406 1.338 1.00 0.00 C ATOM 182 O LEU A 13 4.974 -2.623 2.185 1.00 0.00 O ATOM 183 CB LEU A 13 6.419 -3.940 -0.524 1.00 0.00 C ATOM 184 CG LEU A 13 6.392 -4.305 -2.006 1.00 0.00 C ATOM 185 CD1 LEU A 13 7.194 -5.568 -2.253 1.00 0.00 C ATOM 186 CD2 LEU A 13 4.964 -4.464 -2.500 1.00 0.00 C ATOM 0 H LEU A 13 6.544 -1.806 -1.750 1.00 0.00 H new ATOM 0 HA LEU A 13 4.523 -2.934 -0.260 1.00 0.00 H new ATOM 0 HB2 LEU A 13 7.453 -3.760 -0.231 1.00 0.00 H new ATOM 0 HB3 LEU A 13 6.070 -4.798 0.050 1.00 0.00 H new ATOM 0 HG LEU A 13 6.850 -3.491 -2.568 1.00 0.00 H new ATOM 0 HD11 LEU A 13 7.165 -5.816 -3.314 1.00 0.00 H new ATOM 0 HD12 LEU A 13 8.227 -5.409 -1.945 1.00 0.00 H new ATOM 0 HD13 LEU A 13 6.766 -6.389 -1.677 1.00 0.00 H new ATOM 0 HD21 LEU A 13 4.972 -4.724 -3.559 1.00 0.00 H new ATOM 0 HD22 LEU A 13 4.470 -5.255 -1.936 1.00 0.00 H new ATOM 0 HD23 LEU A 13 4.424 -3.527 -2.361 1.00 0.00 H new ATOM 198 N ASP A 14 7.023 -1.900 1.638 1.00 0.00 N ATOM 199 CA ASP A 14 7.400 -1.640 3.020 1.00 0.00 C ATOM 200 C ASP A 14 6.732 -0.383 3.552 1.00 0.00 C ATOM 201 O ASP A 14 6.469 -0.281 4.748 1.00 0.00 O ATOM 202 CB ASP A 14 8.918 -1.555 3.165 1.00 0.00 C ATOM 203 CG ASP A 14 9.559 -2.924 3.112 1.00 0.00 C ATOM 204 OD1 ASP A 14 9.334 -3.725 4.046 1.00 0.00 O1- ATOM 205 OD2 ASP A 14 10.269 -3.222 2.129 1.00 0.00 O ATOM 0 H ASP A 14 7.737 -1.662 0.949 1.00 0.00 H new ATOM 0 HA ASP A 14 7.048 -2.479 3.621 1.00 0.00 H new ATOM 0 HB2 ASP A 14 9.326 -0.930 2.370 1.00 0.00 H new ATOM 0 HB3 ASP A 14 9.168 -1.072 4.110 1.00 0.00 H new ATOM 210 N PHE A 15 6.443 0.557 2.664 1.00 0.00 N ATOM 211 CA PHE A 15 5.718 1.761 3.045 1.00 0.00 C ATOM 212 C PHE A 15 4.317 1.389 3.521 1.00 0.00 C ATOM 213 O PHE A 15 3.920 1.714 4.638 1.00 0.00 O ATOM 214 CB PHE A 15 5.641 2.731 1.861 1.00 0.00 C ATOM 215 CG PHE A 15 4.974 4.040 2.184 1.00 0.00 C ATOM 216 CD1 PHE A 15 5.693 5.072 2.763 1.00 0.00 C ATOM 217 CD2 PHE A 15 3.632 4.239 1.901 1.00 0.00 C ATOM 218 CE1 PHE A 15 5.085 6.279 3.054 1.00 0.00 C ATOM 219 CE2 PHE A 15 3.020 5.443 2.192 1.00 0.00 C ATOM 220 CZ PHE A 15 3.749 6.465 2.768 1.00 0.00 C ATOM 0 H PHE A 15 6.698 0.510 1.678 1.00 0.00 H new ATOM 0 HA PHE A 15 6.249 2.254 3.859 1.00 0.00 H new ATOM 0 HB2 PHE A 15 6.650 2.929 1.500 1.00 0.00 H new ATOM 0 HB3 PHE A 15 5.100 2.251 1.046 1.00 0.00 H new ATOM 0 HD1 PHE A 15 6.740 4.933 2.990 1.00 0.00 H new ATOM 0 HD2 PHE A 15 3.058 3.444 1.448 1.00 0.00 H new ATOM 0 HE1 PHE A 15 5.657 7.076 3.505 1.00 0.00 H new ATOM 0 HE2 PHE A 15 1.973 5.585 1.969 1.00 0.00 H new ATOM 0 HZ PHE A 15 3.274 7.408 2.994 1.00 0.00 H new ATOM 230 N ILE A 16 3.594 0.673 2.669 1.00 0.00 N ATOM 231 CA ILE A 16 2.243 0.220 2.981 1.00 0.00 C ATOM 232 C ILE A 16 2.256 -0.694 4.206 1.00 0.00 C ATOM 233 O ILE A 16 1.338 -0.673 5.031 1.00 0.00 O ATOM 234 CB ILE A 16 1.632 -0.529 1.776 1.00 0.00 C ATOM 235 CG1 ILE A 16 1.652 0.367 0.533 1.00 0.00 C ATOM 236 CG2 ILE A 16 0.211 -0.975 2.082 1.00 0.00 C ATOM 237 CD1 ILE A 16 1.318 -0.360 -0.751 1.00 0.00 C ATOM 0 H ILE A 16 3.925 0.391 1.746 1.00 0.00 H new ATOM 0 HA ILE A 16 1.632 1.096 3.199 1.00 0.00 H new ATOM 0 HB ILE A 16 2.234 -1.417 1.581 1.00 0.00 H new ATOM 0 HG12 ILE A 16 0.942 1.182 0.673 1.00 0.00 H new ATOM 0 HG13 ILE A 16 2.640 0.818 0.438 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -0.199 -1.500 1.219 1.00 0.00 H new ATOM 0 HG22 ILE A 16 0.217 -1.642 2.944 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -0.405 -0.103 2.302 1.00 0.00 H new ATOM 0 HD11 ILE A 16 1.353 0.341 -1.585 1.00 0.00 H new ATOM 0 HD12 ILE A 16 2.042 -1.158 -0.917 1.00 0.00 H new ATOM 0 HD13 ILE A 16 0.318 -0.787 -0.678 1.00 0.00 H new ATOM 249 N ARG A 17 3.319 -1.477 4.322 1.00 0.00 N ATOM 250 CA ARG A 17 3.498 -2.383 5.446 1.00 0.00 C ATOM 251 C ARG A 17 3.591 -1.611 6.761 1.00 0.00 C ATOM 252 O ARG A 17 2.941 -1.966 7.746 1.00 0.00 O ATOM 253 CB ARG A 17 4.756 -3.221 5.225 1.00 0.00 C ATOM 254 CG ARG A 17 5.042 -4.242 6.311 1.00 0.00 C ATOM 255 CD ARG A 17 6.246 -5.088 5.937 1.00 0.00 C ATOM 256 NE ARG A 17 6.655 -5.989 7.007 1.00 0.00 N ATOM 257 CZ ARG A 17 7.426 -7.058 6.819 1.00 0.00 C ATOM 258 NH1 ARG A 17 7.839 -7.382 5.598 1.00 0.00 N1+ ATOM 259 NH2 ARG A 17 7.781 -7.802 7.855 1.00 0.00 N ATOM 0 H ARG A 17 4.079 -1.502 3.642 1.00 0.00 H new ATOM 0 HA ARG A 17 2.632 -3.042 5.510 1.00 0.00 H new ATOM 0 HB2 ARG A 17 4.665 -3.742 4.272 1.00 0.00 H new ATOM 0 HB3 ARG A 17 5.612 -2.551 5.142 1.00 0.00 H new ATOM 0 HG2 ARG A 17 5.226 -3.734 7.258 1.00 0.00 H new ATOM 0 HG3 ARG A 17 4.171 -4.881 6.457 1.00 0.00 H new ATOM 0 HD2 ARG A 17 6.013 -5.671 5.046 1.00 0.00 H new ATOM 0 HD3 ARG A 17 7.079 -4.434 5.680 1.00 0.00 H new ATOM 0 HE ARG A 17 6.332 -5.789 7.954 1.00 0.00 H new ATOM 0 HH11 ARG A 17 7.565 -6.810 4.799 1.00 0.00 H new ATOM 0 HH12 ARG A 17 8.430 -8.202 5.460 1.00 0.00 H new ATOM 0 HH21 ARG A 17 7.464 -7.555 8.793 1.00 0.00 H new ATOM 0 HH22 ARG A 17 8.372 -8.622 7.716 1.00 0.00 H new ATOM 273 N GLU A 18 4.388 -0.548 6.768 1.00 0.00 N ATOM 274 CA GLU A 18 4.546 0.278 7.959 1.00 0.00 C ATOM 275 C GLU A 18 3.250 0.996 8.303 1.00 0.00 C ATOM 276 O GLU A 18 2.934 1.183 9.479 1.00 0.00 O ATOM 277 CB GLU A 18 5.681 1.282 7.779 1.00 0.00 C ATOM 278 CG GLU A 18 7.051 0.637 7.840 1.00 0.00 C ATOM 279 CD GLU A 18 8.179 1.644 7.759 1.00 0.00 C ATOM 280 OE1 GLU A 18 8.094 2.697 8.429 1.00 0.00 O ATOM 281 OE2 GLU A 18 9.169 1.375 7.049 1.00 0.00 O1- ATOM 0 H GLU A 18 4.934 -0.239 5.964 1.00 0.00 H new ATOM 0 HA GLU A 18 4.800 -0.382 8.789 1.00 0.00 H new ATOM 0 HB2 GLU A 18 5.565 1.787 6.820 1.00 0.00 H new ATOM 0 HB3 GLU A 18 5.610 2.047 8.553 1.00 0.00 H new ATOM 0 HG2 GLU A 18 7.140 0.072 8.768 1.00 0.00 H new ATOM 0 HG3 GLU A 18 7.148 -0.077 7.022 1.00 0.00 H new ATOM 288 N LEU A 19 2.498 1.384 7.278 1.00 0.00 N ATOM 289 CA LEU A 19 1.196 2.003 7.477 1.00 0.00 C ATOM 290 C LEU A 19 0.314 1.130 8.354 1.00 0.00 C ATOM 291 O LEU A 19 -0.141 1.551 9.417 1.00 0.00 O ATOM 292 CB LEU A 19 0.491 2.226 6.138 1.00 0.00 C ATOM 293 CG LEU A 19 0.610 3.622 5.528 1.00 0.00 C ATOM 294 CD1 LEU A 19 2.060 4.021 5.346 1.00 0.00 C ATOM 295 CD2 LEU A 19 -0.117 3.654 4.197 1.00 0.00 C ATOM 0 H LEU A 19 2.770 1.280 6.300 1.00 0.00 H new ATOM 0 HA LEU A 19 1.361 2.963 7.966 1.00 0.00 H new ATOM 0 HB2 LEU A 19 0.885 1.506 5.421 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -0.567 2.000 6.268 1.00 0.00 H new ATOM 0 HG LEU A 19 0.154 4.339 6.210 1.00 0.00 H new ATOM 0 HD11 LEU A 19 2.111 5.019 4.910 1.00 0.00 H new ATOM 0 HD12 LEU A 19 2.561 4.022 6.314 1.00 0.00 H new ATOM 0 HD13 LEU A 19 2.553 3.310 4.683 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -0.033 4.649 3.760 1.00 0.00 H new ATOM 0 HD22 LEU A 19 0.328 2.923 3.522 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -1.169 3.413 4.351 1.00 0.00 H new ATOM 307 N GLY A 20 0.084 -0.095 7.904 1.00 0.00 N ATOM 308 CA GLY A 20 -0.764 -1.010 8.639 1.00 0.00 C ATOM 309 C GLY A 20 -0.187 -1.401 9.984 1.00 0.00 C ATOM 310 O GLY A 20 -0.919 -1.822 10.875 1.00 0.00 O ATOM 0 H GLY A 20 0.471 -0.472 7.039 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -1.741 -0.551 8.789 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -0.922 -1.909 8.043 1.00 0.00 H new ATOM 314 N ASP A 21 1.122 -1.248 10.143 1.00 0.00 N ATOM 315 CA ASP A 21 1.782 -1.648 11.379 1.00 0.00 C ATOM 316 C ASP A 21 1.523 -0.640 12.500 1.00 0.00 C ATOM 317 O ASP A 21 1.418 -1.016 13.667 1.00 0.00 O ATOM 318 CB ASP A 21 3.283 -1.810 11.144 1.00 0.00 C ATOM 319 CG ASP A 21 3.991 -2.414 12.335 1.00 0.00 C ATOM 320 OD1 ASP A 21 3.780 -3.610 12.609 1.00 0.00 O1- ATOM 321 OD2 ASP A 21 4.776 -1.699 12.987 1.00 0.00 O ATOM 0 H ASP A 21 1.743 -0.853 9.437 1.00 0.00 H new ATOM 0 HA ASP A 21 1.365 -2.606 11.691 1.00 0.00 H new ATOM 0 HB2 ASP A 21 3.445 -2.441 10.270 1.00 0.00 H new ATOM 0 HB3 ASP A 21 3.720 -0.837 10.920 1.00 0.00 H new ATOM 326 N VAL A 22 1.406 0.636 12.144 1.00 0.00 N ATOM 327 CA VAL A 22 1.136 1.678 13.132 1.00 0.00 C ATOM 328 C VAL A 22 -0.350 2.011 13.177 1.00 0.00 C ATOM 329 O VAL A 22 -0.842 2.588 14.147 1.00 0.00 O ATOM 330 CB VAL A 22 1.936 2.971 12.857 1.00 0.00 C ATOM 331 CG1 VAL A 22 3.416 2.758 13.113 1.00 0.00 C ATOM 332 CG2 VAL A 22 1.711 3.455 11.435 1.00 0.00 C ATOM 0 H VAL A 22 1.493 0.973 11.185 1.00 0.00 H new ATOM 0 HA VAL A 22 1.455 1.278 14.095 1.00 0.00 H new ATOM 0 HB VAL A 22 1.576 3.737 13.543 1.00 0.00 H new ATOM 0 HG11 VAL A 22 3.957 3.683 12.912 1.00 0.00 H new ATOM 0 HG12 VAL A 22 3.567 2.468 14.153 1.00 0.00 H new ATOM 0 HG13 VAL A 22 3.789 1.970 12.458 1.00 0.00 H new ATOM 0 HG21 VAL A 22 2.285 4.366 11.266 1.00 0.00 H new ATOM 0 HG22 VAL A 22 2.035 2.686 10.733 1.00 0.00 H new ATOM 0 HG23 VAL A 22 0.651 3.660 11.284 1.00 0.00 H new ATOM 342 N GLY A 23 -1.059 1.654 12.116 1.00 0.00 N ATOM 343 CA GLY A 23 -2.489 1.852 12.093 1.00 0.00 C ATOM 344 C GLY A 23 -2.919 2.970 11.165 1.00 0.00 C ATOM 345 O GLY A 23 -3.934 3.622 11.398 1.00 0.00 O ATOM 0 H GLY A 23 -0.668 1.232 11.274 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -2.973 0.925 11.785 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -2.836 2.072 13.103 1.00 0.00 H new ATOM 349 N LEU A 24 -2.149 3.187 10.111 1.00 0.00 N ATOM 350 CA LEU A 24 -2.470 4.209 9.121 1.00 0.00 C ATOM 351 C LEU A 24 -3.219 3.597 7.944 1.00 0.00 C ATOM 352 O LEU A 24 -3.563 4.282 6.986 1.00 0.00 O ATOM 353 CB LEU A 24 -1.191 4.890 8.632 1.00 0.00 C ATOM 354 CG LEU A 24 -0.439 5.688 9.696 1.00 0.00 C ATOM 355 CD1 LEU A 24 0.896 6.177 9.157 1.00 0.00 C ATOM 356 CD2 LEU A 24 -1.282 6.856 10.171 1.00 0.00 C ATOM 0 H LEU A 24 -1.293 2.668 9.916 1.00 0.00 H new ATOM 0 HA LEU A 24 -3.111 4.955 9.591 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -0.523 4.129 8.230 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -1.445 5.558 7.809 1.00 0.00 H new ATOM 0 HG LEU A 24 -0.243 5.033 10.545 1.00 0.00 H new ATOM 0 HD11 LEU A 24 1.415 6.743 9.930 1.00 0.00 H new ATOM 0 HD12 LEU A 24 1.505 5.322 8.862 1.00 0.00 H new ATOM 0 HD13 LEU A 24 0.726 6.817 8.291 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -0.734 7.416 10.929 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -1.506 7.510 9.328 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -2.213 6.483 10.598 1.00 0.00 H new ATOM 368 N LEU A 25 -3.451 2.297 8.023 1.00 0.00 N ATOM 369 CA LEU A 25 -4.170 1.584 6.978 1.00 0.00 C ATOM 370 C LEU A 25 -5.501 1.063 7.489 1.00 0.00 C ATOM 371 O LEU A 25 -6.402 0.768 6.707 1.00 0.00 O ATOM 372 CB LEU A 25 -3.338 0.411 6.483 1.00 0.00 C ATOM 373 CG LEU A 25 -2.813 0.523 5.061 1.00 0.00 C ATOM 374 CD1 LEU A 25 -2.077 -0.747 4.696 1.00 0.00 C ATOM 375 CD2 LEU A 25 -3.936 0.809 4.078 1.00 0.00 C ATOM 0 H LEU A 25 -3.151 1.712 8.803 1.00 0.00 H new ATOM 0 HA LEU A 25 -4.354 2.283 6.162 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -2.489 0.284 7.154 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -3.941 -0.494 6.557 1.00 0.00 H new ATOM 0 HG LEU A 25 -2.121 1.363 5.006 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -1.700 -0.669 3.676 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -1.242 -0.894 5.382 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -2.758 -1.595 4.767 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -3.527 0.883 3.070 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -4.666 0.001 4.115 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -4.421 1.749 4.343 1.00 0.00 H new ATOM 387 N GLU A 26 -5.598 0.946 8.805 1.00 0.00 N ATOM 388 CA GLU A 26 -6.778 0.384 9.454 1.00 0.00 C ATOM 389 C GLU A 26 -8.051 1.084 9.006 1.00 0.00 C ATOM 390 O GLU A 26 -8.110 2.313 8.921 1.00 0.00 O ATOM 391 CB GLU A 26 -6.637 0.462 10.970 1.00 0.00 C ATOM 392 CG GLU A 26 -5.506 -0.399 11.503 1.00 0.00 C ATOM 393 CD GLU A 26 -5.427 -0.389 13.012 1.00 0.00 C ATOM 394 OE1 GLU A 26 -4.905 0.589 13.581 1.00 0.00 O1- ATOM 395 OE2 GLU A 26 -5.889 -1.365 13.640 1.00 0.00 O ATOM 0 H GLU A 26 -4.865 1.236 9.453 1.00 0.00 H new ATOM 0 HA GLU A 26 -6.852 -0.662 9.157 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -6.466 1.498 11.261 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -7.573 0.151 11.433 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -5.641 -1.424 11.157 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -4.561 -0.045 11.091 1.00 0.00 H new ATOM 402 N TYR A 27 -9.065 0.287 8.716 1.00 0.00 N ATOM 403 CA TYR A 27 -10.312 0.795 8.177 1.00 0.00 C ATOM 404 C TYR A 27 -11.491 -0.020 8.691 1.00 0.00 C ATOM 405 O TYR A 27 -11.310 -1.029 9.373 1.00 0.00 O ATOM 406 CB TYR A 27 -10.275 0.755 6.642 1.00 0.00 C ATOM 407 CG TYR A 27 -10.087 -0.636 6.066 1.00 0.00 C ATOM 408 CD1 TYR A 27 -8.817 -1.171 5.888 1.00 0.00 C ATOM 409 CD2 TYR A 27 -11.180 -1.413 5.706 1.00 0.00 C ATOM 410 CE1 TYR A 27 -8.644 -2.437 5.369 1.00 0.00 C ATOM 411 CE2 TYR A 27 -11.013 -2.682 5.184 1.00 0.00 C ATOM 412 CZ TYR A 27 -9.743 -3.189 5.018 1.00 0.00 C ATOM 413 OH TYR A 27 -9.570 -4.453 4.503 1.00 0.00 O ATOM 0 H TYR A 27 -9.047 -0.724 8.847 1.00 0.00 H new ATOM 0 HA TYR A 27 -10.436 1.827 8.505 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -11.204 1.175 6.255 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -9.465 1.395 6.291 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -7.951 -0.586 6.161 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -12.177 -1.019 5.836 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -7.650 -2.837 5.238 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -11.874 -3.273 4.908 1.00 0.00 H new ATOM 0 HH TYR A 27 -10.445 -4.849 4.308 1.00 0.00 H new ATOM 423 N GLU A 28 -12.691 0.420 8.352 1.00 0.00 N ATOM 424 CA GLU A 28 -13.904 -0.286 8.718 1.00 0.00 C ATOM 425 C GLU A 28 -14.993 0.072 7.721 1.00 0.00 C ATOM 426 O GLU A 28 -15.485 1.200 7.693 1.00 0.00 O ATOM 427 CB GLU A 28 -14.341 0.065 10.142 1.00 0.00 C ATOM 428 CG GLU A 28 -15.479 -0.803 10.653 1.00 0.00 C ATOM 429 CD GLU A 28 -15.121 -2.276 10.682 1.00 0.00 C ATOM 430 OE1 GLU A 28 -14.502 -2.724 11.673 1.00 0.00 O ATOM 431 OE2 GLU A 28 -15.451 -2.997 9.714 1.00 0.00 O1- ATOM 0 H GLU A 28 -12.850 1.274 7.817 1.00 0.00 H new ATOM 0 HA GLU A 28 -13.717 -1.360 8.693 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -13.487 -0.036 10.812 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -14.648 1.110 10.173 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -15.755 -0.480 11.657 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -16.354 -0.658 10.020 1.00 0.00 H new ATOM 438 N LEU A 29 -15.342 -0.884 6.890 1.00 0.00 N ATOM 439 CA LEU A 29 -16.249 -0.642 5.787 1.00 0.00 C ATOM 440 C LEU A 29 -17.699 -0.708 6.235 1.00 0.00 C ATOM 441 O LEU A 29 -18.091 -1.597 6.992 1.00 0.00 O ATOM 442 CB LEU A 29 -15.991 -1.662 4.685 1.00 0.00 C ATOM 443 CG LEU A 29 -14.538 -1.741 4.222 1.00 0.00 C ATOM 444 CD1 LEU A 29 -14.352 -2.893 3.259 1.00 0.00 C ATOM 445 CD2 LEU A 29 -14.105 -0.434 3.576 1.00 0.00 C ATOM 0 H LEU A 29 -15.009 -1.846 6.957 1.00 0.00 H new ATOM 0 HA LEU A 29 -16.067 0.363 5.406 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -16.300 -2.646 5.038 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -16.619 -1.419 3.828 1.00 0.00 H new ATOM 0 HG LEU A 29 -13.911 -1.914 5.096 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -13.311 -2.935 2.939 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -14.618 -3.827 3.754 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -14.993 -2.748 2.390 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -13.067 -0.514 3.254 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -14.738 -0.228 2.713 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -14.200 0.377 4.298 1.00 0.00 H new ATOM 457 N SER A 30 -18.482 0.248 5.769 1.00 0.00 N ATOM 458 CA SER A 30 -19.908 0.265 6.033 1.00 0.00 C ATOM 459 C SER A 30 -20.629 -0.432 4.890 1.00 0.00 C ATOM 460 O SER A 30 -19.991 -0.817 3.912 1.00 0.00 O ATOM 461 CB SER A 30 -20.402 1.706 6.194 1.00 0.00 C ATOM 462 OG SER A 30 -21.730 1.745 6.685 1.00 0.00 O ATOM 0 H SER A 30 -18.150 1.028 5.202 1.00 0.00 H new ATOM 0 HA SER A 30 -20.117 -0.263 6.963 1.00 0.00 H new ATOM 0 HB2 SER A 30 -19.744 2.244 6.877 1.00 0.00 H new ATOM 0 HB3 SER A 30 -20.352 2.219 5.233 1.00 0.00 H new ATOM 0 HG SER A 30 -22.017 2.677 6.779 1.00 0.00 H new ATOM 468 N GLN A 31 -21.939 -0.591 4.999 1.00 0.00 N ATOM 469 CA GLN A 31 -22.713 -1.276 3.968 1.00 0.00 C ATOM 470 C GLN A 31 -22.479 -0.653 2.594 1.00 0.00 C ATOM 471 O GLN A 31 -22.309 -1.361 1.602 1.00 0.00 O ATOM 472 CB GLN A 31 -24.201 -1.248 4.310 1.00 0.00 C ATOM 473 CG GLN A 31 -24.573 -2.117 5.500 1.00 0.00 C ATOM 474 CD GLN A 31 -24.207 -3.571 5.289 1.00 0.00 C ATOM 475 OE1 GLN A 31 -24.993 -4.351 4.755 1.00 0.00 O ATOM 476 NE2 GLN A 31 -23.009 -3.946 5.704 1.00 0.00 N ATOM 0 H GLN A 31 -22.491 -0.256 5.789 1.00 0.00 H new ATOM 0 HA GLN A 31 -22.376 -2.312 3.933 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -24.498 -0.220 4.516 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -24.770 -1.576 3.440 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -24.068 -1.744 6.391 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -25.644 -2.038 5.684 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -22.386 -3.268 6.143 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -22.708 -4.913 5.586 1.00 0.00 H new ATOM 485 N GLN A 32 -22.427 0.670 2.551 1.00 0.00 N ATOM 486 CA GLN A 32 -22.232 1.390 1.300 1.00 0.00 C ATOM 487 C GLN A 32 -20.826 1.162 0.755 1.00 0.00 C ATOM 488 O GLN A 32 -20.615 1.110 -0.458 1.00 0.00 O ATOM 489 CB GLN A 32 -22.474 2.878 1.525 1.00 0.00 C ATOM 490 CG GLN A 32 -22.449 3.717 0.258 1.00 0.00 C ATOM 491 CD GLN A 32 -22.822 5.161 0.520 1.00 0.00 C ATOM 492 OE1 GLN A 32 -23.689 5.376 1.496 1.00 0.00 O flip ATOM 493 NE2 GLN A 32 -22.348 6.073 -0.154 1.00 0.00 N flip ATOM 0 H GLN A 32 -22.517 1.269 3.371 1.00 0.00 H new ATOM 0 HA GLN A 32 -22.944 1.014 0.565 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -23.440 3.007 2.012 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -21.717 3.257 2.212 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -21.453 3.675 -0.184 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -23.139 3.292 -0.471 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -21.682 5.864 -0.898 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -22.621 7.038 0.031 1.00 0.00 H new ATOM 502 N GLU A 33 -19.873 1.009 1.661 1.00 0.00 N ATOM 503 CA GLU A 33 -18.484 0.799 1.282 1.00 0.00 C ATOM 504 C GLU A 33 -18.265 -0.654 0.877 1.00 0.00 C ATOM 505 O GLU A 33 -17.388 -0.965 0.078 1.00 0.00 O ATOM 506 CB GLU A 33 -17.556 1.164 2.444 1.00 0.00 C ATOM 507 CG GLU A 33 -17.801 2.553 3.014 1.00 0.00 C ATOM 508 CD GLU A 33 -17.583 3.656 1.998 1.00 0.00 C ATOM 509 OE1 GLU A 33 -18.538 4.004 1.274 1.00 0.00 O ATOM 510 OE2 GLU A 33 -16.462 4.196 1.936 1.00 0.00 O1- ATOM 0 H GLU A 33 -20.037 1.026 2.668 1.00 0.00 H new ATOM 0 HA GLU A 33 -18.253 1.442 0.433 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -17.679 0.429 3.239 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -16.522 1.098 2.105 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -18.822 2.610 3.391 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -17.138 2.713 3.864 1.00 0.00 H new ATOM 517 N LYS A 34 -19.090 -1.539 1.417 1.00 0.00 N ATOM 518 CA LYS A 34 -18.970 -2.962 1.138 1.00 0.00 C ATOM 519 C LYS A 34 -19.643 -3.286 -0.179 1.00 0.00 C ATOM 520 O LYS A 34 -19.238 -4.197 -0.897 1.00 0.00 O ATOM 521 CB LYS A 34 -19.596 -3.790 2.265 1.00 0.00 C ATOM 522 CG LYS A 34 -18.829 -3.729 3.574 1.00 0.00 C ATOM 523 CD LYS A 34 -19.542 -4.506 4.667 1.00 0.00 C ATOM 524 CE LYS A 34 -18.755 -4.496 5.967 1.00 0.00 C ATOM 525 NZ LYS A 34 -19.477 -5.198 7.060 1.00 0.00 N1+ ATOM 0 H LYS A 34 -19.851 -1.296 2.052 1.00 0.00 H new ATOM 0 HA LYS A 34 -17.912 -3.215 1.073 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -20.615 -3.441 2.436 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -19.664 -4.829 1.944 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -17.827 -4.135 3.431 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -18.711 -2.690 3.881 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -20.529 -4.075 4.836 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -19.695 -5.535 4.342 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -17.787 -4.971 5.808 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -18.560 -3.466 6.265 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -18.906 -5.168 7.929 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -20.390 -4.730 7.230 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -19.641 -6.188 6.788 1.00 0.00 H new ATOM 539 N ASP A 35 -20.654 -2.502 -0.499 1.00 0.00 N ATOM 540 CA ASP A 35 -21.450 -2.707 -1.697 1.00 0.00 C ATOM 541 C ASP A 35 -20.628 -2.472 -2.957 1.00 0.00 C ATOM 542 O ASP A 35 -20.827 -3.130 -3.977 1.00 0.00 O ATOM 543 CB ASP A 35 -22.649 -1.761 -1.669 1.00 0.00 C ATOM 544 CG ASP A 35 -23.433 -1.747 -2.967 1.00 0.00 C ATOM 545 OD1 ASP A 35 -24.302 -2.622 -3.162 1.00 0.00 O1- ATOM 546 OD2 ASP A 35 -23.196 -0.843 -3.795 1.00 0.00 O ATOM 0 H ASP A 35 -20.948 -1.704 0.064 1.00 0.00 H new ATOM 0 HA ASP A 35 -21.792 -3.742 -1.714 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -23.313 -2.051 -0.855 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -22.301 -0.751 -1.452 1.00 0.00 H new ATOM 551 N VAL A 36 -19.705 -1.534 -2.885 1.00 0.00 N ATOM 552 CA VAL A 36 -18.894 -1.194 -4.040 1.00 0.00 C ATOM 553 C VAL A 36 -17.689 -2.124 -4.169 1.00 0.00 C ATOM 554 O VAL A 36 -17.159 -2.313 -5.261 1.00 0.00 O ATOM 555 CB VAL A 36 -18.432 0.276 -3.986 1.00 0.00 C ATOM 556 CG1 VAL A 36 -19.640 1.195 -3.908 1.00 0.00 C ATOM 557 CG2 VAL A 36 -17.499 0.521 -2.808 1.00 0.00 C ATOM 0 H VAL A 36 -19.497 -0.995 -2.044 1.00 0.00 H new ATOM 0 HA VAL A 36 -19.520 -1.325 -4.922 1.00 0.00 H new ATOM 0 HB VAL A 36 -17.876 0.493 -4.898 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -19.306 2.232 -3.870 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -20.267 1.047 -4.787 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -20.214 0.966 -3.010 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -17.192 1.567 -2.799 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -18.018 0.287 -1.878 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -16.619 -0.115 -2.903 1.00 0.00 H new ATOM 567 N LEU A 37 -17.262 -2.702 -3.052 1.00 0.00 N ATOM 568 CA LEU A 37 -16.088 -3.570 -3.041 1.00 0.00 C ATOM 569 C LEU A 37 -16.472 -5.035 -3.171 1.00 0.00 C ATOM 570 O LEU A 37 -15.999 -5.739 -4.060 1.00 0.00 O ATOM 571 CB LEU A 37 -15.292 -3.355 -1.756 1.00 0.00 C ATOM 572 CG LEU A 37 -14.901 -1.906 -1.496 1.00 0.00 C ATOM 573 CD1 LEU A 37 -14.058 -1.790 -0.239 1.00 0.00 C ATOM 574 CD2 LEU A 37 -14.166 -1.339 -2.698 1.00 0.00 C ATOM 0 H LEU A 37 -17.710 -2.586 -2.143 1.00 0.00 H new ATOM 0 HA LEU A 37 -15.473 -3.307 -3.901 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -15.880 -3.717 -0.913 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -14.387 -3.961 -1.797 1.00 0.00 H new ATOM 0 HG LEU A 37 -15.809 -1.324 -1.340 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -13.791 -0.746 -0.075 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -14.626 -2.158 0.615 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -13.150 -2.382 -0.354 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -13.891 -0.303 -2.501 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -13.265 -1.924 -2.883 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -14.813 -1.383 -3.574 1.00 0.00 H new ATOM 586 N PHE A 38 -17.340 -5.482 -2.281 1.00 0.00 N ATOM 587 CA PHE A 38 -17.737 -6.878 -2.235 1.00 0.00 C ATOM 588 C PHE A 38 -18.986 -7.096 -3.060 1.00 0.00 C ATOM 589 O PHE A 38 -19.197 -8.175 -3.621 1.00 0.00 O ATOM 590 CB PHE A 38 -18.007 -7.305 -0.794 1.00 0.00 C ATOM 591 CG PHE A 38 -16.831 -7.127 0.121 1.00 0.00 C ATOM 592 CD1 PHE A 38 -15.865 -8.114 0.230 1.00 0.00 C ATOM 593 CD2 PHE A 38 -16.693 -5.974 0.873 1.00 0.00 C ATOM 594 CE1 PHE A 38 -14.784 -7.952 1.073 1.00 0.00 C ATOM 595 CE2 PHE A 38 -15.615 -5.807 1.715 1.00 0.00 C ATOM 596 CZ PHE A 38 -14.658 -6.796 1.816 1.00 0.00 C ATOM 0 H PHE A 38 -17.786 -4.894 -1.576 1.00 0.00 H new ATOM 0 HA PHE A 38 -16.924 -7.478 -2.644 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -18.848 -6.730 -0.406 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -18.307 -8.353 -0.786 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -15.959 -9.020 -0.351 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -17.439 -5.196 0.799 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -14.038 -8.729 1.151 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -15.519 -4.902 2.296 1.00 0.00 H new ATOM 0 HZ PHE A 38 -13.812 -6.666 2.475 1.00 0.00 H new ATOM 606 N GLY A 39 -19.812 -6.064 -3.129 1.00 0.00 N ATOM 607 CA GLY A 39 -21.082 -6.177 -3.816 1.00 0.00 C ATOM 608 C GLY A 39 -22.127 -6.893 -2.983 1.00 0.00 C ATOM 609 O GLY A 39 -23.169 -6.323 -2.659 1.00 0.00 O ATOM 0 H GLY A 39 -19.626 -5.148 -2.721 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -21.444 -5.181 -4.071 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -20.938 -6.714 -4.754 1.00 0.00 H new ATOM 613 N SER A 40 -21.855 -8.141 -2.641 1.00 0.00 N ATOM 614 CA SER A 40 -22.778 -8.937 -1.853 1.00 0.00 C ATOM 615 C SER A 40 -22.565 -8.661 -0.367 1.00 0.00 C ATOM 616 O SER A 40 -21.682 -9.302 0.243 1.00 0.00 O ATOM 617 CB SER A 40 -22.587 -10.424 -2.162 1.00 0.00 C ATOM 618 OG SER A 40 -23.661 -11.204 -1.660 1.00 0.00 O ATOM 619 OXT SER A 40 -23.274 -7.793 0.186 1.00 0.00 O ATOM 0 H SER A 40 -20.996 -8.627 -2.899 1.00 0.00 H new ATOM 0 HA SER A 40 -23.800 -8.662 -2.113 1.00 0.00 H new ATOM 0 HB2 SER A 40 -22.507 -10.565 -3.240 1.00 0.00 H new ATOM 0 HB3 SER A 40 -21.650 -10.770 -1.725 1.00 0.00 H new ATOM 0 HG SER A 40 -23.509 -12.148 -1.876 1.00 0.00 H new TER 625 SER A 40 ATOM 626 N MET B 41 -4.792 14.618 12.442 1.00 0.00 N ATOM 627 CA MET B 41 -3.503 14.048 12.896 1.00 0.00 C ATOM 628 C MET B 41 -3.627 12.546 13.102 1.00 0.00 C ATOM 629 O MET B 41 -4.534 12.078 13.788 1.00 0.00 O ATOM 630 CB MET B 41 -3.059 14.714 14.203 1.00 0.00 C ATOM 631 CG MET B 41 -1.751 14.166 14.751 1.00 0.00 C ATOM 632 SD MET B 41 -1.298 14.891 16.340 1.00 0.00 S ATOM 633 CE MET B 41 -1.125 16.616 15.894 1.00 0.00 C ATOM 0 HA MET B 41 -2.755 14.238 12.126 1.00 0.00 H new ATOM 0 HB2 MET B 41 -2.953 15.786 14.037 1.00 0.00 H new ATOM 0 HB3 MET B 41 -3.840 14.583 14.952 1.00 0.00 H new ATOM 0 HG2 MET B 41 -1.833 13.085 14.861 1.00 0.00 H new ATOM 0 HG3 MET B 41 -0.954 14.354 14.031 1.00 0.00 H new ATOM 0 HE1 MET B 41 -0.276 17.046 16.425 1.00 0.00 H new ATOM 0 HE2 MET B 41 -0.961 16.699 14.820 1.00 0.00 H new ATOM 0 HE3 MET B 41 -2.033 17.155 16.166 1.00 0.00 H new ATOM 645 N ASN B 42 -2.715 11.794 12.504 1.00 0.00 N ATOM 646 CA ASN B 42 -2.683 10.347 12.669 1.00 0.00 C ATOM 647 C ASN B 42 -1.321 9.920 13.193 1.00 0.00 C ATOM 648 O ASN B 42 -0.584 10.730 13.753 1.00 0.00 O ATOM 649 CB ASN B 42 -2.972 9.628 11.346 1.00 0.00 C ATOM 650 CG ASN B 42 -4.319 9.979 10.738 1.00 0.00 C ATOM 651 OD1 ASN B 42 -5.329 10.168 11.572 1.00 0.00 O flip ATOM 652 ND2 ASN B 42 -4.455 10.056 9.518 1.00 0.00 N flip ATOM 0 H ASN B 42 -1.983 12.164 11.897 1.00 0.00 H new ATOM 0 HA ASN B 42 -3.459 10.071 13.384 1.00 0.00 H new ATOM 0 HB2 ASN B 42 -2.186 9.873 10.631 1.00 0.00 H new ATOM 0 HB3 ASN B 42 -2.928 8.552 11.511 1.00 0.00 H new ATOM 0 HD21 ASN B 42 -3.654 9.904 8.905 1.00 0.00 H new ATOM 0 HD22 ASN B 42 -5.369 10.272 9.119 1.00 0.00 H new ATOM 659 N LYS B 43 -0.997 8.653 13.008 1.00 0.00 N ATOM 660 CA LYS B 43 0.278 8.111 13.450 1.00 0.00 C ATOM 661 C LYS B 43 1.372 8.457 12.451 1.00 0.00 C ATOM 662 O LYS B 43 1.097 8.926 11.344 1.00 0.00 O ATOM 663 CB LYS B 43 0.203 6.583 13.615 1.00 0.00 C ATOM 664 CG LYS B 43 -0.882 6.116 14.574 1.00 0.00 C ATOM 665 CD LYS B 43 -2.223 5.964 13.874 1.00 0.00 C ATOM 666 CE LYS B 43 -3.367 5.913 14.868 1.00 0.00 C ATOM 667 NZ LYS B 43 -3.229 4.781 15.826 1.00 0.00 N1+ ATOM 0 H LYS B 43 -1.605 7.974 12.550 1.00 0.00 H new ATOM 0 HA LYS B 43 0.512 8.556 14.417 1.00 0.00 H new ATOM 0 HB2 LYS B 43 0.030 6.131 12.639 1.00 0.00 H new ATOM 0 HB3 LYS B 43 1.167 6.218 13.969 1.00 0.00 H new ATOM 0 HG2 LYS B 43 -0.592 5.163 15.016 1.00 0.00 H new ATOM 0 HG3 LYS B 43 -0.977 6.830 15.392 1.00 0.00 H new ATOM 0 HD2 LYS B 43 -2.373 6.798 13.188 1.00 0.00 H new ATOM 0 HD3 LYS B 43 -2.220 5.054 13.274 1.00 0.00 H new ATOM 0 HE2 LYS B 43 -3.408 6.852 15.421 1.00 0.00 H new ATOM 0 HE3 LYS B 43 -4.310 5.818 14.330 1.00 0.00 H new ATOM 0 HZ1 LYS B 43 -4.088 4.713 16.409 1.00 0.00 H new ATOM 0 HZ2 LYS B 43 -3.097 3.894 15.299 1.00 0.00 H new ATOM 0 HZ3 LYS B 43 -2.406 4.945 16.440 1.00 0.00 H new ATOM 681 N THR B 44 2.606 8.234 12.851 1.00 0.00 N ATOM 682 CA THR B 44 3.743 8.432 11.975 1.00 0.00 C ATOM 683 C THR B 44 4.311 7.094 11.544 1.00 0.00 C ATOM 684 O THR B 44 3.896 6.048 12.047 1.00 0.00 O ATOM 685 CB THR B 44 4.842 9.255 12.661 1.00 0.00 C ATOM 686 OG1 THR B 44 4.733 9.133 14.087 1.00 0.00 O ATOM 687 CG2 THR B 44 4.763 10.711 12.251 1.00 0.00 C ATOM 0 H THR B 44 2.849 7.912 13.788 1.00 0.00 H new ATOM 0 HA THR B 44 3.394 8.982 11.101 1.00 0.00 H new ATOM 0 HB THR B 44 5.810 8.865 12.345 1.00 0.00 H new ATOM 0 HG1 THR B 44 5.439 9.660 14.515 1.00 0.00 H new ATOM 0 HG21 THR B 44 5.552 11.273 12.751 1.00 0.00 H new ATOM 0 HG22 THR B 44 4.887 10.792 11.171 1.00 0.00 H new ATOM 0 HG23 THR B 44 3.792 11.117 12.536 1.00 0.00 H new ATOM 695 N LEU B 45 5.257 7.122 10.628 1.00 0.00 N ATOM 696 CA LEU B 45 5.857 5.897 10.137 1.00 0.00 C ATOM 697 C LEU B 45 7.000 5.454 11.034 1.00 0.00 C ATOM 698 O LEU B 45 7.365 6.147 11.989 1.00 0.00 O ATOM 699 CB LEU B 45 6.335 6.074 8.701 1.00 0.00 C ATOM 700 CG LEU B 45 5.228 6.418 7.707 1.00 0.00 C ATOM 701 CD1 LEU B 45 5.780 6.520 6.303 1.00 0.00 C ATOM 702 CD2 LEU B 45 4.126 5.378 7.768 1.00 0.00 C ATOM 0 H LEU B 45 5.626 7.976 10.209 1.00 0.00 H new ATOM 0 HA LEU B 45 5.096 5.116 10.152 1.00 0.00 H new ATOM 0 HB2 LEU B 45 7.087 6.862 8.676 1.00 0.00 H new ATOM 0 HB3 LEU B 45 6.825 5.155 8.378 1.00 0.00 H new ATOM 0 HG LEU B 45 4.811 7.387 7.980 1.00 0.00 H new ATOM 0 HD11 LEU B 45 4.974 6.766 5.612 1.00 0.00 H new ATOM 0 HD12 LEU B 45 6.540 7.301 6.267 1.00 0.00 H new ATOM 0 HD13 LEU B 45 6.225 5.567 6.017 1.00 0.00 H new ATOM 0 HD21 LEU B 45 3.343 5.635 7.055 1.00 0.00 H new ATOM 0 HD22 LEU B 45 4.536 4.399 7.520 1.00 0.00 H new ATOM 0 HD23 LEU B 45 3.706 5.351 8.773 1.00 0.00 H new ATOM 714 N LYS B 46 7.560 4.302 10.720 1.00 0.00 N ATOM 715 CA LYS B 46 8.602 3.710 11.534 1.00 0.00 C ATOM 716 C LYS B 46 9.970 4.080 10.991 1.00 0.00 C ATOM 717 O LYS B 46 10.874 4.451 11.742 1.00 0.00 O ATOM 718 CB LYS B 46 8.414 2.207 11.562 1.00 0.00 C ATOM 719 CG LYS B 46 7.108 1.808 12.217 1.00 0.00 C ATOM 720 CD LYS B 46 6.580 0.513 11.650 1.00 0.00 C ATOM 721 CE LYS B 46 7.579 -0.619 11.836 1.00 0.00 C ATOM 722 NZ LYS B 46 6.999 -1.938 11.485 1.00 0.00 N1+ ATOM 0 H LYS B 46 7.307 3.753 9.898 1.00 0.00 H new ATOM 0 HA LYS B 46 8.536 4.094 12.552 1.00 0.00 H new ATOM 0 HB2 LYS B 46 8.441 1.820 10.543 1.00 0.00 H new ATOM 0 HB3 LYS B 46 9.244 1.748 12.100 1.00 0.00 H new ATOM 0 HG2 LYS B 46 7.256 1.703 13.292 1.00 0.00 H new ATOM 0 HG3 LYS B 46 6.371 2.598 12.072 1.00 0.00 H new ATOM 0 HD2 LYS B 46 5.640 0.256 12.139 1.00 0.00 H new ATOM 0 HD3 LYS B 46 6.363 0.639 10.589 1.00 0.00 H new ATOM 0 HE2 LYS B 46 8.457 -0.433 11.217 1.00 0.00 H new ATOM 0 HE3 LYS B 46 7.918 -0.636 12.872 1.00 0.00 H new ATOM 0 HZ1 LYS B 46 7.765 -2.628 11.346 1.00 0.00 H new ATOM 0 HZ2 LYS B 46 6.378 -2.260 12.255 1.00 0.00 H new ATOM 0 HZ3 LYS B 46 6.447 -1.852 10.608 1.00 0.00 H new ATOM 736 N THR B 47 10.114 3.980 9.681 1.00 0.00 N ATOM 737 CA THR B 47 11.320 4.423 9.015 1.00 0.00 C ATOM 738 C THR B 47 11.260 5.924 8.784 1.00 0.00 C ATOM 739 O THR B 47 10.336 6.427 8.152 1.00 0.00 O ATOM 740 CB THR B 47 11.506 3.720 7.663 1.00 0.00 C ATOM 741 OG1 THR B 47 11.456 2.300 7.838 1.00 0.00 O ATOM 742 CG2 THR B 47 12.832 4.121 7.038 1.00 0.00 C ATOM 0 H THR B 47 9.405 3.594 9.057 1.00 0.00 H new ATOM 0 HA THR B 47 12.164 4.172 9.658 1.00 0.00 H new ATOM 0 HB THR B 47 10.699 4.024 6.996 1.00 0.00 H new ATOM 0 HG1 THR B 47 10.693 1.936 7.342 1.00 0.00 H new ATOM 0 HG21 THR B 47 12.950 3.615 6.080 1.00 0.00 H new ATOM 0 HG22 THR B 47 12.850 5.200 6.883 1.00 0.00 H new ATOM 0 HG23 THR B 47 13.648 3.836 7.702 1.00 0.00 H new ATOM 750 N LYS B 48 12.252 6.632 9.298 1.00 0.00 N ATOM 751 CA LYS B 48 12.289 8.085 9.213 1.00 0.00 C ATOM 752 C LYS B 48 12.429 8.550 7.768 1.00 0.00 C ATOM 753 O LYS B 48 11.915 9.605 7.392 1.00 0.00 O ATOM 754 CB LYS B 48 13.439 8.619 10.059 1.00 0.00 C ATOM 755 CG LYS B 48 13.477 10.139 10.164 1.00 0.00 C ATOM 756 CD LYS B 48 12.128 10.731 10.568 1.00 0.00 C ATOM 757 CE LYS B 48 11.657 10.218 11.920 1.00 0.00 C ATOM 758 NZ LYS B 48 10.371 10.844 12.335 1.00 0.00 N1+ ATOM 0 H LYS B 48 13.050 6.221 9.783 1.00 0.00 H new ATOM 0 HA LYS B 48 11.347 8.478 9.597 1.00 0.00 H new ATOM 0 HB2 LYS B 48 13.365 8.197 11.061 1.00 0.00 H new ATOM 0 HB3 LYS B 48 14.381 8.271 9.635 1.00 0.00 H new ATOM 0 HG2 LYS B 48 14.232 10.431 10.894 1.00 0.00 H new ATOM 0 HG3 LYS B 48 13.782 10.559 9.205 1.00 0.00 H new ATOM 0 HD2 LYS B 48 12.205 11.818 10.601 1.00 0.00 H new ATOM 0 HD3 LYS B 48 11.384 10.487 9.810 1.00 0.00 H new ATOM 0 HE2 LYS B 48 11.536 9.136 11.875 1.00 0.00 H new ATOM 0 HE3 LYS B 48 12.419 10.423 12.672 1.00 0.00 H new ATOM 0 HZ1 LYS B 48 10.179 10.615 13.331 1.00 0.00 H new ATOM 0 HZ2 LYS B 48 10.435 11.876 12.224 1.00 0.00 H new ATOM 0 HZ3 LYS B 48 9.600 10.479 11.741 1.00 0.00 H new ATOM 772 N ALA B 49 13.129 7.757 6.968 1.00 0.00 N ATOM 773 CA ALA B 49 13.273 8.035 5.546 1.00 0.00 C ATOM 774 C ALA B 49 11.914 8.025 4.856 1.00 0.00 C ATOM 775 O ALA B 49 11.682 8.779 3.918 1.00 0.00 O ATOM 776 CB ALA B 49 14.201 7.019 4.901 1.00 0.00 C ATOM 0 H ALA B 49 13.608 6.913 7.282 1.00 0.00 H new ATOM 0 HA ALA B 49 13.708 9.028 5.432 1.00 0.00 H new ATOM 0 HB1 ALA B 49 14.299 7.239 3.838 1.00 0.00 H new ATOM 0 HB2 ALA B 49 15.182 7.070 5.374 1.00 0.00 H new ATOM 0 HB3 ALA B 49 13.789 6.018 5.027 1.00 0.00 H new ATOM 782 N PHE B 50 11.018 7.175 5.343 1.00 0.00 N ATOM 783 CA PHE B 50 9.672 7.064 4.790 1.00 0.00 C ATOM 784 C PHE B 50 8.741 8.077 5.444 1.00 0.00 C ATOM 785 O PHE B 50 7.913 8.704 4.782 1.00 0.00 O ATOM 786 CB PHE B 50 9.116 5.652 5.016 1.00 0.00 C ATOM 787 CG PHE B 50 9.708 4.588 4.133 1.00 0.00 C ATOM 788 CD1 PHE B 50 11.032 4.639 3.733 1.00 0.00 C ATOM 789 CD2 PHE B 50 8.925 3.530 3.705 1.00 0.00 C ATOM 790 CE1 PHE B 50 11.564 3.654 2.924 1.00 0.00 C ATOM 791 CE2 PHE B 50 9.450 2.542 2.895 1.00 0.00 C ATOM 792 CZ PHE B 50 10.772 2.604 2.506 1.00 0.00 C ATOM 0 H PHE B 50 11.201 6.547 6.126 1.00 0.00 H new ATOM 0 HA PHE B 50 9.729 7.265 3.720 1.00 0.00 H new ATOM 0 HB2 PHE B 50 9.283 5.374 6.057 1.00 0.00 H new ATOM 0 HB3 PHE B 50 8.037 5.673 4.861 1.00 0.00 H new ATOM 0 HD1 PHE B 50 11.656 5.458 4.057 1.00 0.00 H new ATOM 0 HD2 PHE B 50 7.890 3.476 4.008 1.00 0.00 H new ATOM 0 HE1 PHE B 50 12.599 3.705 2.619 1.00 0.00 H new ATOM 0 HE2 PHE B 50 8.827 1.723 2.567 1.00 0.00 H new ATOM 0 HZ PHE B 50 11.187 1.832 1.875 1.00 0.00 H new ATOM 802 N ASP B 51 8.902 8.222 6.756 1.00 0.00 N ATOM 803 CA ASP B 51 8.044 9.074 7.577 1.00 0.00 C ATOM 804 C ASP B 51 7.987 10.496 7.040 1.00 0.00 C ATOM 805 O ASP B 51 6.931 11.123 7.045 1.00 0.00 O ATOM 806 CB ASP B 51 8.552 9.074 9.020 1.00 0.00 C ATOM 807 CG ASP B 51 7.594 9.731 9.985 1.00 0.00 C ATOM 808 OD1 ASP B 51 6.373 9.517 9.851 1.00 0.00 O ATOM 809 OD2 ASP B 51 8.072 10.423 10.915 1.00 0.00 O1- ATOM 0 H ASP B 51 9.636 7.749 7.284 1.00 0.00 H new ATOM 0 HA ASP B 51 7.032 8.670 7.544 1.00 0.00 H new ATOM 0 HB2 ASP B 51 8.729 8.046 9.336 1.00 0.00 H new ATOM 0 HB3 ASP B 51 9.511 9.590 9.061 1.00 0.00 H new ATOM 814 N ASP B 52 9.123 10.987 6.553 1.00 0.00 N ATOM 815 CA ASP B 52 9.207 12.342 6.010 1.00 0.00 C ATOM 816 C ASP B 52 8.123 12.587 4.968 1.00 0.00 C ATOM 817 O ASP B 52 7.381 13.565 5.046 1.00 0.00 O ATOM 818 CB ASP B 52 10.585 12.585 5.387 1.00 0.00 C ATOM 819 CG ASP B 52 10.732 13.988 4.821 1.00 0.00 C ATOM 820 OD1 ASP B 52 11.005 14.925 5.602 1.00 0.00 O1- ATOM 821 OD2 ASP B 52 10.588 14.161 3.593 1.00 0.00 O ATOM 0 H ASP B 52 10.000 10.467 6.523 1.00 0.00 H new ATOM 0 HA ASP B 52 9.057 13.038 6.835 1.00 0.00 H new ATOM 0 HB2 ASP B 52 11.355 12.419 6.141 1.00 0.00 H new ATOM 0 HB3 ASP B 52 10.754 11.857 4.593 1.00 0.00 H new ATOM 826 N ILE B 53 8.004 11.668 4.024 1.00 0.00 N ATOM 827 CA ILE B 53 7.078 11.832 2.911 1.00 0.00 C ATOM 828 C ILE B 53 5.629 11.820 3.387 1.00 0.00 C ATOM 829 O ILE B 53 4.795 12.548 2.859 1.00 0.00 O ATOM 830 CB ILE B 53 7.275 10.731 1.846 1.00 0.00 C ATOM 831 CG1 ILE B 53 8.705 10.745 1.314 1.00 0.00 C ATOM 832 CG2 ILE B 53 6.290 10.892 0.697 1.00 0.00 C ATOM 833 CD1 ILE B 53 9.622 9.772 2.008 1.00 0.00 C ATOM 0 H ILE B 53 8.537 10.799 4.005 1.00 0.00 H new ATOM 0 HA ILE B 53 7.295 12.801 2.462 1.00 0.00 H new ATOM 0 HB ILE B 53 7.087 9.771 2.326 1.00 0.00 H new ATOM 0 HG12 ILE B 53 8.688 10.517 0.248 1.00 0.00 H new ATOM 0 HG13 ILE B 53 9.112 11.751 1.419 1.00 0.00 H new ATOM 0 HG21 ILE B 53 6.454 10.102 -0.036 1.00 0.00 H new ATOM 0 HG22 ILE B 53 5.271 10.827 1.079 1.00 0.00 H new ATOM 0 HG23 ILE B 53 6.438 11.863 0.224 1.00 0.00 H new ATOM 0 HD11 ILE B 53 10.620 9.840 1.575 1.00 0.00 H new ATOM 0 HD12 ILE B 53 9.670 10.012 3.070 1.00 0.00 H new ATOM 0 HD13 ILE B 53 9.240 8.759 1.882 1.00 0.00 H new ATOM 845 N TYR B 54 5.339 11.019 4.402 1.00 0.00 N ATOM 846 CA TYR B 54 3.968 10.871 4.880 1.00 0.00 C ATOM 847 C TYR B 54 3.417 12.207 5.375 1.00 0.00 C ATOM 848 O TYR B 54 2.256 12.533 5.135 1.00 0.00 O ATOM 849 CB TYR B 54 3.890 9.819 5.989 1.00 0.00 C ATOM 850 CG TYR B 54 2.475 9.369 6.290 1.00 0.00 C ATOM 851 CD1 TYR B 54 1.776 8.584 5.383 1.00 0.00 C ATOM 852 CD2 TYR B 54 1.841 9.726 7.475 1.00 0.00 C ATOM 853 CE1 TYR B 54 0.486 8.166 5.644 1.00 0.00 C ATOM 854 CE2 TYR B 54 0.548 9.310 7.743 1.00 0.00 C ATOM 855 CZ TYR B 54 -0.125 8.530 6.823 1.00 0.00 C ATOM 856 OH TYR B 54 -1.414 8.110 7.084 1.00 0.00 O ATOM 0 H TYR B 54 6.028 10.464 4.909 1.00 0.00 H new ATOM 0 HA TYR B 54 3.355 10.536 4.043 1.00 0.00 H new ATOM 0 HB2 TYR B 54 4.486 8.953 5.701 1.00 0.00 H new ATOM 0 HB3 TYR B 54 4.336 10.225 6.897 1.00 0.00 H new ATOM 0 HD1 TYR B 54 2.250 8.295 4.456 1.00 0.00 H new ATOM 0 HD2 TYR B 54 2.364 10.336 8.196 1.00 0.00 H new ATOM 0 HE1 TYR B 54 -0.042 7.556 4.926 1.00 0.00 H new ATOM 0 HE2 TYR B 54 0.068 9.594 8.668 1.00 0.00 H new ATOM 0 HH TYR B 54 -2.050 8.743 6.690 1.00 0.00 H new ATOM 866 N GLN B 55 4.253 12.987 6.049 1.00 0.00 N ATOM 867 CA GLN B 55 3.841 14.301 6.520 1.00 0.00 C ATOM 868 C GLN B 55 3.959 15.333 5.412 1.00 0.00 C ATOM 869 O GLN B 55 3.076 16.165 5.217 1.00 0.00 O ATOM 870 CB GLN B 55 4.688 14.758 7.705 1.00 0.00 C ATOM 871 CG GLN B 55 4.447 13.992 8.991 1.00 0.00 C ATOM 872 CD GLN B 55 5.283 12.735 9.111 1.00 0.00 C ATOM 873 OE1 GLN B 55 6.436 12.796 9.534 1.00 0.00 O ATOM 874 NE2 GLN B 55 4.704 11.586 8.793 1.00 0.00 N ATOM 0 H GLN B 55 5.214 12.734 6.280 1.00 0.00 H new ATOM 0 HA GLN B 55 2.801 14.215 6.835 1.00 0.00 H new ATOM 0 HB2 GLN B 55 5.741 14.669 7.437 1.00 0.00 H new ATOM 0 HB3 GLN B 55 4.494 15.815 7.886 1.00 0.00 H new ATOM 0 HG2 GLN B 55 4.661 14.644 9.838 1.00 0.00 H new ATOM 0 HG3 GLN B 55 3.392 13.725 9.053 1.00 0.00 H new ATOM 0 HE21 GLN B 55 3.745 11.577 8.445 1.00 0.00 H new ATOM 0 HE22 GLN B 55 5.217 10.711 8.896 1.00 0.00 H new ATOM 883 N ASN B 56 5.057 15.255 4.684 1.00 0.00 N ATOM 884 CA ASN B 56 5.399 16.262 3.682 1.00 0.00 C ATOM 885 C ASN B 56 4.615 16.092 2.385 1.00 0.00 C ATOM 886 O ASN B 56 4.787 16.865 1.446 1.00 0.00 O ATOM 887 CB ASN B 56 6.900 16.228 3.397 1.00 0.00 C ATOM 888 CG ASN B 56 7.708 16.863 4.513 1.00 0.00 C ATOM 889 OD1 ASN B 56 8.051 18.042 4.458 1.00 0.00 O ATOM 890 ND2 ASN B 56 7.997 16.095 5.549 1.00 0.00 N ATOM 0 H ASN B 56 5.737 14.499 4.765 1.00 0.00 H new ATOM 0 HA ASN B 56 5.123 17.232 4.096 1.00 0.00 H new ATOM 0 HB2 ASN B 56 7.219 15.195 3.262 1.00 0.00 H new ATOM 0 HB3 ASN B 56 7.103 16.749 2.462 1.00 0.00 H new ATOM 0 HD21 ASN B 56 8.521 16.477 6.337 1.00 0.00 H new ATOM 0 HD22 ASN B 56 7.696 15.120 5.561 1.00 0.00 H new ATOM 897 N SER B 57 3.763 15.085 2.331 1.00 0.00 N ATOM 898 CA SER B 57 2.928 14.864 1.166 1.00 0.00 C ATOM 899 C SER B 57 1.471 14.714 1.577 1.00 0.00 C ATOM 900 O SER B 57 0.964 13.603 1.729 1.00 0.00 O ATOM 901 CB SER B 57 3.397 13.630 0.393 1.00 0.00 C ATOM 902 OG SER B 57 4.745 13.780 -0.015 1.00 0.00 O ATOM 0 H SER B 57 3.631 14.407 3.081 1.00 0.00 H new ATOM 0 HA SER B 57 3.015 15.731 0.511 1.00 0.00 H new ATOM 0 HB2 SER B 57 3.297 12.743 1.018 1.00 0.00 H new ATOM 0 HB3 SER B 57 2.762 13.478 -0.480 1.00 0.00 H new ATOM 0 HG SER B 57 4.934 13.163 -0.753 1.00 0.00 H new ATOM 908 N ALA B 58 0.801 15.844 1.746 1.00 0.00 N ATOM 909 CA ALA B 58 -0.608 15.854 2.112 1.00 0.00 C ATOM 910 C ALA B 58 -1.456 15.266 0.990 1.00 0.00 C ATOM 911 O ALA B 58 -2.591 14.839 1.208 1.00 0.00 O ATOM 912 CB ALA B 58 -1.057 17.268 2.435 1.00 0.00 C ATOM 0 H ALA B 58 1.213 16.771 1.635 1.00 0.00 H new ATOM 0 HA ALA B 58 -0.741 15.236 3.000 1.00 0.00 H new ATOM 0 HB1 ALA B 58 -2.112 17.261 2.707 1.00 0.00 H new ATOM 0 HB2 ALA B 58 -0.470 17.655 3.268 1.00 0.00 H new ATOM 0 HB3 ALA B 58 -0.911 17.904 1.562 1.00 0.00 H new ATOM 918 N GLU B 59 -0.878 15.225 -0.207 1.00 0.00 N ATOM 919 CA GLU B 59 -1.548 14.662 -1.367 1.00 0.00 C ATOM 920 C GLU B 59 -1.514 13.141 -1.299 1.00 0.00 C ATOM 921 O GLU B 59 -2.336 12.459 -1.898 1.00 0.00 O ATOM 922 CB GLU B 59 -0.884 15.175 -2.649 1.00 0.00 C ATOM 923 CG GLU B 59 0.625 14.997 -2.670 1.00 0.00 C ATOM 924 CD GLU B 59 1.286 15.735 -3.815 1.00 0.00 C ATOM 925 OE1 GLU B 59 1.346 15.189 -4.937 1.00 0.00 O ATOM 926 OE2 GLU B 59 1.750 16.872 -3.595 1.00 0.00 O1- ATOM 0 H GLU B 59 0.060 15.579 -0.396 1.00 0.00 H new ATOM 0 HA GLU B 59 -2.592 14.977 -1.374 1.00 0.00 H new ATOM 0 HB2 GLU B 59 -1.314 14.653 -3.504 1.00 0.00 H new ATOM 0 HB3 GLU B 59 -1.118 16.233 -2.770 1.00 0.00 H new ATOM 0 HG2 GLU B 59 1.041 15.351 -1.727 1.00 0.00 H new ATOM 0 HG3 GLU B 59 0.860 13.935 -2.744 1.00 0.00 H new ATOM 933 N LEU B 60 -0.553 12.625 -0.545 1.00 0.00 N ATOM 934 CA LEU B 60 -0.443 11.198 -0.301 1.00 0.00 C ATOM 935 C LEU B 60 -1.370 10.824 0.855 1.00 0.00 C ATOM 936 O LEU B 60 -1.994 9.763 0.862 1.00 0.00 O ATOM 937 CB LEU B 60 1.026 10.853 0.014 1.00 0.00 C ATOM 938 CG LEU B 60 1.435 9.373 -0.078 1.00 0.00 C ATOM 939 CD1 LEU B 60 1.040 8.605 1.172 1.00 0.00 C ATOM 940 CD2 LEU B 60 0.826 8.726 -1.310 1.00 0.00 C ATOM 0 H LEU B 60 0.168 13.183 -0.088 1.00 0.00 H new ATOM 0 HA LEU B 60 -0.743 10.628 -1.180 1.00 0.00 H new ATOM 0 HB2 LEU B 60 1.660 11.422 -0.666 1.00 0.00 H new ATOM 0 HB3 LEU B 60 1.246 11.203 1.023 1.00 0.00 H new ATOM 0 HG LEU B 60 2.521 9.337 -0.162 1.00 0.00 H new ATOM 0 HD11 LEU B 60 1.345 7.563 1.071 1.00 0.00 H new ATOM 0 HD12 LEU B 60 1.532 9.044 2.040 1.00 0.00 H new ATOM 0 HD13 LEU B 60 -0.041 8.655 1.304 1.00 0.00 H new ATOM 0 HD21 LEU B 60 1.127 7.679 -1.358 1.00 0.00 H new ATOM 0 HD22 LEU B 60 -0.261 8.789 -1.255 1.00 0.00 H new ATOM 0 HD23 LEU B 60 1.174 9.245 -2.203 1.00 0.00 H new ATOM 952 N GLN B 61 -1.477 11.738 1.815 1.00 0.00 N ATOM 953 CA GLN B 61 -2.315 11.552 2.987 1.00 0.00 C ATOM 954 C GLN B 61 -3.798 11.500 2.613 1.00 0.00 C ATOM 955 O GLN B 61 -4.571 10.743 3.207 1.00 0.00 O ATOM 956 CB GLN B 61 -2.077 12.693 3.982 1.00 0.00 C ATOM 957 CG GLN B 61 -2.870 12.544 5.267 1.00 0.00 C ATOM 958 CD GLN B 61 -2.380 11.393 6.115 1.00 0.00 C ATOM 959 OE1 GLN B 61 -2.821 10.193 5.784 1.00 0.00 O flip ATOM 960 NE2 GLN B 61 -1.579 11.578 7.028 1.00 0.00 N flip ATOM 0 H GLN B 61 -0.982 12.630 1.798 1.00 0.00 H new ATOM 0 HA GLN B 61 -2.046 10.599 3.443 1.00 0.00 H new ATOM 0 HB2 GLN B 61 -1.015 12.741 4.222 1.00 0.00 H new ATOM 0 HB3 GLN B 61 -2.340 13.639 3.509 1.00 0.00 H new ATOM 0 HG2 GLN B 61 -2.804 13.468 5.841 1.00 0.00 H new ATOM 0 HG3 GLN B 61 -3.922 12.392 5.026 1.00 0.00 H new ATOM 0 HE21 GLN B 61 -1.266 12.524 7.248 1.00 0.00 H new ATOM 0 HE22 GLN B 61 -1.227 10.786 7.566 1.00 0.00 H new ATOM 969 N GLU B 62 -4.189 12.302 1.626 1.00 0.00 N ATOM 970 CA GLU B 62 -5.592 12.413 1.239 1.00 0.00 C ATOM 971 C GLU B 62 -6.054 11.169 0.488 1.00 0.00 C ATOM 972 O GLU B 62 -7.246 10.880 0.414 1.00 0.00 O ATOM 973 CB GLU B 62 -5.818 13.659 0.380 1.00 0.00 C ATOM 974 CG GLU B 62 -5.196 13.574 -1.004 1.00 0.00 C ATOM 975 CD GLU B 62 -5.438 14.819 -1.829 1.00 0.00 C ATOM 976 OE1 GLU B 62 -4.776 15.847 -1.574 1.00 0.00 O ATOM 977 OE2 GLU B 62 -6.292 14.777 -2.739 1.00 0.00 O1- ATOM 0 H GLU B 62 -3.554 12.884 1.080 1.00 0.00 H new ATOM 0 HA GLU B 62 -6.182 12.503 2.151 1.00 0.00 H new ATOM 0 HB2 GLU B 62 -6.890 13.827 0.276 1.00 0.00 H new ATOM 0 HB3 GLU B 62 -5.408 14.525 0.899 1.00 0.00 H new ATOM 0 HG2 GLU B 62 -4.123 13.410 -0.906 1.00 0.00 H new ATOM 0 HG3 GLU B 62 -5.604 12.710 -1.529 1.00 0.00 H new ATOM 984 N LEU B 63 -5.104 10.429 -0.058 1.00 0.00 N ATOM 985 CA LEU B 63 -5.421 9.226 -0.812 1.00 0.00 C ATOM 986 C LEU B 63 -5.843 8.101 0.120 1.00 0.00 C ATOM 987 O LEU B 63 -6.575 7.201 -0.273 1.00 0.00 O ATOM 988 CB LEU B 63 -4.227 8.809 -1.664 1.00 0.00 C ATOM 989 CG LEU B 63 -3.838 9.824 -2.737 1.00 0.00 C ATOM 990 CD1 LEU B 63 -2.536 9.427 -3.397 1.00 0.00 C ATOM 991 CD2 LEU B 63 -4.940 9.955 -3.777 1.00 0.00 C ATOM 0 H LEU B 63 -4.108 10.639 0.006 1.00 0.00 H new ATOM 0 HA LEU B 63 -6.259 9.442 -1.475 1.00 0.00 H new ATOM 0 HB2 LEU B 63 -3.370 8.641 -1.011 1.00 0.00 H new ATOM 0 HB3 LEU B 63 -4.453 7.857 -2.145 1.00 0.00 H new ATOM 0 HG LEU B 63 -3.701 10.793 -2.256 1.00 0.00 H new ATOM 0 HD11 LEU B 63 -2.275 10.162 -4.159 1.00 0.00 H new ATOM 0 HD12 LEU B 63 -1.746 9.385 -2.647 1.00 0.00 H new ATOM 0 HD13 LEU B 63 -2.647 8.447 -3.861 1.00 0.00 H new ATOM 0 HD21 LEU B 63 -4.643 10.683 -4.532 1.00 0.00 H new ATOM 0 HD22 LEU B 63 -5.109 8.988 -4.251 1.00 0.00 H new ATOM 0 HD23 LEU B 63 -5.859 10.288 -3.294 1.00 0.00 H new ATOM 1003 N LEU B 64 -5.412 8.178 1.371 1.00 0.00 N ATOM 1004 CA LEU B 64 -5.816 7.204 2.377 1.00 0.00 C ATOM 1005 C LEU B 64 -7.185 7.557 2.955 1.00 0.00 C ATOM 1006 O LEU B 64 -7.577 7.064 4.011 1.00 0.00 O ATOM 1007 CB LEU B 64 -4.773 7.109 3.493 1.00 0.00 C ATOM 1008 CG LEU B 64 -3.536 6.273 3.161 1.00 0.00 C ATOM 1009 CD1 LEU B 64 -2.474 6.454 4.232 1.00 0.00 C ATOM 1010 CD2 LEU B 64 -3.904 4.803 3.027 1.00 0.00 C ATOM 0 H LEU B 64 -4.783 8.904 1.714 1.00 0.00 H new ATOM 0 HA LEU B 64 -5.889 6.231 1.892 1.00 0.00 H new ATOM 0 HB2 LEU B 64 -4.451 8.117 3.754 1.00 0.00 H new ATOM 0 HB3 LEU B 64 -5.249 6.688 4.378 1.00 0.00 H new ATOM 0 HG LEU B 64 -3.134 6.617 2.208 1.00 0.00 H new ATOM 0 HD11 LEU B 64 -1.599 5.853 3.982 1.00 0.00 H new ATOM 0 HD12 LEU B 64 -2.189 7.505 4.288 1.00 0.00 H new ATOM 0 HD13 LEU B 64 -2.871 6.134 5.196 1.00 0.00 H new ATOM 0 HD21 LEU B 64 -3.011 4.224 2.791 1.00 0.00 H new ATOM 0 HD22 LEU B 64 -4.329 4.447 3.966 1.00 0.00 H new ATOM 0 HD23 LEU B 64 -4.636 4.683 2.229 1.00 0.00 H new ATOM 1022 N LYS B 65 -7.905 8.427 2.260 1.00 0.00 N ATOM 1023 CA LYS B 65 -9.260 8.776 2.649 1.00 0.00 C ATOM 1024 C LYS B 65 -10.268 8.039 1.772 1.00 0.00 C ATOM 1025 O LYS B 65 -11.462 8.332 1.800 1.00 0.00 O ATOM 1026 CB LYS B 65 -9.479 10.289 2.554 1.00 0.00 C ATOM 1027 CG LYS B 65 -8.607 11.099 3.502 1.00 0.00 C ATOM 1028 CD LYS B 65 -8.859 10.723 4.953 1.00 0.00 C ATOM 1029 CE LYS B 65 -8.111 11.639 5.909 1.00 0.00 C ATOM 1030 NZ LYS B 65 -6.643 11.608 5.679 1.00 0.00 N1+ ATOM 0 H LYS B 65 -7.570 8.904 1.423 1.00 0.00 H new ATOM 0 HA LYS B 65 -9.408 8.473 3.685 1.00 0.00 H new ATOM 0 HB2 LYS B 65 -9.283 10.611 1.531 1.00 0.00 H new ATOM 0 HB3 LYS B 65 -10.526 10.508 2.762 1.00 0.00 H new ATOM 0 HG2 LYS B 65 -7.557 10.936 3.260 1.00 0.00 H new ATOM 0 HG3 LYS B 65 -8.805 12.162 3.361 1.00 0.00 H new ATOM 0 HD2 LYS B 65 -9.928 10.773 5.162 1.00 0.00 H new ATOM 0 HD3 LYS B 65 -8.550 9.691 5.121 1.00 0.00 H new ATOM 0 HE2 LYS B 65 -8.475 12.660 5.791 1.00 0.00 H new ATOM 0 HE3 LYS B 65 -8.323 11.342 6.936 1.00 0.00 H new ATOM 0 HZ1 LYS B 65 -6.163 12.152 6.425 1.00 0.00 H new ATOM 0 HZ2 LYS B 65 -6.309 10.623 5.699 1.00 0.00 H new ATOM 0 HZ3 LYS B 65 -6.428 12.027 4.752 1.00 0.00 H new ATOM 1044 N TYR B 66 -9.782 7.086 0.982 1.00 0.00 N ATOM 1045 CA TYR B 66 -10.655 6.263 0.170 1.00 0.00 C ATOM 1046 C TYR B 66 -10.672 4.844 0.723 1.00 0.00 C ATOM 1047 O TYR B 66 -9.658 4.152 0.717 1.00 0.00 O ATOM 1048 CB TYR B 66 -10.180 6.250 -1.287 1.00 0.00 C ATOM 1049 CG TYR B 66 -10.129 7.613 -1.946 1.00 0.00 C ATOM 1050 CD1 TYR B 66 -9.072 8.485 -1.711 1.00 0.00 C ATOM 1051 CD2 TYR B 66 -11.136 8.023 -2.810 1.00 0.00 C ATOM 1052 CE1 TYR B 66 -9.020 9.725 -2.316 1.00 0.00 C ATOM 1053 CE2 TYR B 66 -11.090 9.261 -3.421 1.00 0.00 C ATOM 1054 CZ TYR B 66 -10.032 10.108 -3.170 1.00 0.00 C ATOM 1055 OH TYR B 66 -9.987 11.342 -3.776 1.00 0.00 O ATOM 0 H TYR B 66 -8.789 6.869 0.891 1.00 0.00 H new ATOM 0 HA TYR B 66 -11.662 6.679 0.200 1.00 0.00 H new ATOM 0 HB2 TYR B 66 -9.186 5.804 -1.327 1.00 0.00 H new ATOM 0 HB3 TYR B 66 -10.842 5.606 -1.866 1.00 0.00 H new ATOM 0 HD1 TYR B 66 -8.277 8.187 -1.043 1.00 0.00 H new ATOM 0 HD2 TYR B 66 -11.968 7.364 -3.007 1.00 0.00 H new ATOM 0 HE1 TYR B 66 -8.192 10.390 -2.121 1.00 0.00 H new ATOM 0 HE2 TYR B 66 -11.880 9.564 -4.093 1.00 0.00 H new ATOM 0 HH TYR B 66 -10.775 11.455 -4.347 1.00 0.00 H new ATOM 1065 N ASN B 67 -11.825 4.416 1.215 1.00 0.00 N ATOM 1066 CA ASN B 67 -11.963 3.087 1.808 1.00 0.00 C ATOM 1067 C ASN B 67 -11.687 1.995 0.784 1.00 0.00 C ATOM 1068 O ASN B 67 -11.215 0.914 1.131 1.00 0.00 O ATOM 1069 CB ASN B 67 -13.354 2.906 2.413 1.00 0.00 C ATOM 1070 CG ASN B 67 -13.509 3.644 3.727 1.00 0.00 C ATOM 1071 OD1 ASN B 67 -12.557 3.772 4.496 1.00 0.00 O ATOM 1072 ND2 ASN B 67 -14.703 4.147 3.990 1.00 0.00 N ATOM 0 H ASN B 67 -12.682 4.968 1.217 1.00 0.00 H new ATOM 0 HA ASN B 67 -11.223 3.002 2.604 1.00 0.00 H new ATOM 0 HB2 ASN B 67 -14.104 3.263 1.707 1.00 0.00 H new ATOM 0 HB3 ASN B 67 -13.544 1.844 2.570 1.00 0.00 H new ATOM 0 HD21 ASN B 67 -14.860 4.663 4.856 1.00 0.00 H new ATOM 0 HD22 ASN B 67 -15.467 4.020 3.327 1.00 0.00 H new ATOM 1079 N THR B 68 -11.967 2.289 -0.478 1.00 0.00 N ATOM 1080 CA THR B 68 -11.688 1.364 -1.567 1.00 0.00 C ATOM 1081 C THR B 68 -10.185 1.120 -1.705 1.00 0.00 C ATOM 1082 O THR B 68 -9.742 -0.003 -1.967 1.00 0.00 O ATOM 1083 CB THR B 68 -12.252 1.907 -2.902 1.00 0.00 C ATOM 1084 OG1 THR B 68 -13.684 1.955 -2.848 1.00 0.00 O ATOM 1085 CG2 THR B 68 -11.815 1.057 -4.086 1.00 0.00 C ATOM 0 H THR B 68 -12.391 3.168 -0.774 1.00 0.00 H new ATOM 0 HA THR B 68 -12.177 0.418 -1.333 1.00 0.00 H new ATOM 0 HB THR B 68 -11.854 2.912 -3.042 1.00 0.00 H new ATOM 0 HG1 THR B 68 -14.032 2.301 -3.696 1.00 0.00 H new ATOM 0 HG21 THR B 68 -12.231 1.471 -5.004 1.00 0.00 H new ATOM 0 HG22 THR B 68 -10.727 1.054 -4.150 1.00 0.00 H new ATOM 0 HG23 THR B 68 -12.173 0.036 -3.953 1.00 0.00 H new ATOM 1093 N VAL B 69 -9.398 2.165 -1.501 1.00 0.00 N ATOM 1094 CA VAL B 69 -7.962 2.075 -1.697 1.00 0.00 C ATOM 1095 C VAL B 69 -7.287 1.498 -0.459 1.00 0.00 C ATOM 1096 O VAL B 69 -6.378 0.676 -0.571 1.00 0.00 O ATOM 1097 CB VAL B 69 -7.355 3.447 -2.071 1.00 0.00 C ATOM 1098 CG1 VAL B 69 -8.209 4.115 -3.128 1.00 0.00 C ATOM 1099 CG2 VAL B 69 -7.179 4.353 -0.867 1.00 0.00 C ATOM 0 H VAL B 69 -9.729 3.082 -1.201 1.00 0.00 H new ATOM 0 HA VAL B 69 -7.780 1.399 -2.533 1.00 0.00 H new ATOM 0 HB VAL B 69 -6.357 3.268 -2.472 1.00 0.00 H new ATOM 0 HG11 VAL B 69 -7.777 5.081 -3.388 1.00 0.00 H new ATOM 0 HG12 VAL B 69 -8.248 3.484 -4.016 1.00 0.00 H new ATOM 0 HG13 VAL B 69 -9.218 4.261 -2.742 1.00 0.00 H new ATOM 0 HG21 VAL B 69 -6.750 5.303 -1.186 1.00 0.00 H new ATOM 0 HG22 VAL B 69 -8.148 4.531 -0.401 1.00 0.00 H new ATOM 0 HG23 VAL B 69 -6.513 3.877 -0.148 1.00 0.00 H new ATOM 1109 N LYS B 70 -7.761 1.903 0.718 1.00 0.00 N ATOM 1110 CA LYS B 70 -7.258 1.355 1.975 1.00 0.00 C ATOM 1111 C LYS B 70 -7.505 -0.142 2.019 1.00 0.00 C ATOM 1112 O LYS B 70 -6.666 -0.909 2.486 1.00 0.00 O ATOM 1113 CB LYS B 70 -7.935 2.024 3.172 1.00 0.00 C ATOM 1114 CG LYS B 70 -7.673 3.516 3.273 1.00 0.00 C ATOM 1115 CD LYS B 70 -8.385 4.128 4.469 1.00 0.00 C ATOM 1116 CE LYS B 70 -7.835 3.604 5.785 1.00 0.00 C ATOM 1117 NZ LYS B 70 -8.547 4.183 6.953 1.00 0.00 N1+ ATOM 0 H LYS B 70 -8.491 2.607 0.827 1.00 0.00 H new ATOM 0 HA LYS B 70 -6.187 1.551 2.030 1.00 0.00 H new ATOM 0 HB2 LYS B 70 -9.010 1.857 3.108 1.00 0.00 H new ATOM 0 HB3 LYS B 70 -7.591 1.542 4.087 1.00 0.00 H new ATOM 0 HG2 LYS B 70 -6.601 3.693 3.357 1.00 0.00 H new ATOM 0 HG3 LYS B 70 -8.007 4.008 2.359 1.00 0.00 H new ATOM 0 HD2 LYS B 70 -8.280 5.213 4.438 1.00 0.00 H new ATOM 0 HD3 LYS B 70 -9.451 3.909 4.408 1.00 0.00 H new ATOM 0 HE2 LYS B 70 -7.923 2.518 5.808 1.00 0.00 H new ATOM 0 HE3 LYS B 70 -6.773 3.839 5.854 1.00 0.00 H new ATOM 0 HZ1 LYS B 70 -8.425 3.561 7.777 1.00 0.00 H new ATOM 0 HZ2 LYS B 70 -8.156 5.123 7.167 1.00 0.00 H new ATOM 0 HZ3 LYS B 70 -9.560 4.271 6.733 1.00 0.00 H new ATOM 1131 N PHE B 71 -8.667 -0.539 1.511 1.00 0.00 N ATOM 1132 CA PHE B 71 -9.036 -1.941 1.414 1.00 0.00 C ATOM 1133 C PHE B 71 -7.986 -2.719 0.631 1.00 0.00 C ATOM 1134 O PHE B 71 -7.461 -3.722 1.103 1.00 0.00 O ATOM 1135 CB PHE B 71 -10.407 -2.066 0.741 1.00 0.00 C ATOM 1136 CG PHE B 71 -10.769 -3.460 0.317 1.00 0.00 C ATOM 1137 CD1 PHE B 71 -11.124 -4.419 1.251 1.00 0.00 C ATOM 1138 CD2 PHE B 71 -10.761 -3.806 -1.023 1.00 0.00 C ATOM 1139 CE1 PHE B 71 -11.463 -5.698 0.853 1.00 0.00 C ATOM 1140 CE2 PHE B 71 -11.096 -5.081 -1.427 1.00 0.00 C ATOM 1141 CZ PHE B 71 -11.448 -6.030 -0.488 1.00 0.00 C ATOM 0 H PHE B 71 -9.376 0.103 1.156 1.00 0.00 H new ATOM 0 HA PHE B 71 -9.091 -2.363 2.418 1.00 0.00 H new ATOM 0 HB2 PHE B 71 -11.170 -1.700 1.428 1.00 0.00 H new ATOM 0 HB3 PHE B 71 -10.428 -1.417 -0.134 1.00 0.00 H new ATOM 0 HD1 PHE B 71 -11.136 -4.165 2.301 1.00 0.00 H new ATOM 0 HD2 PHE B 71 -10.489 -3.067 -1.762 1.00 0.00 H new ATOM 0 HE1 PHE B 71 -11.740 -6.438 1.590 1.00 0.00 H new ATOM 0 HE2 PHE B 71 -11.083 -5.337 -2.476 1.00 0.00 H new ATOM 0 HZ PHE B 71 -11.711 -7.030 -0.801 1.00 0.00 H new ATOM 1151 N HIS B 72 -7.665 -2.229 -0.557 1.00 0.00 N ATOM 1152 CA HIS B 72 -6.735 -2.914 -1.443 1.00 0.00 C ATOM 1153 C HIS B 72 -5.300 -2.843 -0.925 1.00 0.00 C ATOM 1154 O HIS B 72 -4.551 -3.813 -1.033 1.00 0.00 O ATOM 1155 CB HIS B 72 -6.821 -2.336 -2.856 1.00 0.00 C ATOM 1156 CG HIS B 72 -8.030 -2.790 -3.615 1.00 0.00 C ATOM 1157 ND1 HIS B 72 -9.172 -2.031 -3.744 1.00 0.00 N ATOM 1158 CD2 HIS B 72 -8.267 -3.939 -4.291 1.00 0.00 C ATOM 1159 CE1 HIS B 72 -10.058 -2.693 -4.464 1.00 0.00 C ATOM 1160 NE2 HIS B 72 -9.533 -3.851 -4.809 1.00 0.00 N ATOM 0 H HIS B 72 -8.036 -1.356 -0.931 1.00 0.00 H new ATOM 0 HA HIS B 72 -7.022 -3.965 -1.471 1.00 0.00 H new ATOM 0 HB2 HIS B 72 -6.828 -1.248 -2.795 1.00 0.00 H new ATOM 0 HB3 HIS B 72 -5.926 -2.619 -3.411 1.00 0.00 H new ATOM 0 HD1 HIS B 72 -9.311 -1.102 -3.345 1.00 0.00 H new ATOM 0 HD2 HIS B 72 -7.586 -4.770 -4.401 1.00 0.00 H new ATOM 0 HE1 HIS B 72 -11.046 -2.344 -4.726 1.00 0.00 H new ATOM 1169 N LEU B 73 -4.924 -1.701 -0.361 1.00 0.00 N ATOM 1170 CA LEU B 73 -3.578 -1.518 0.173 1.00 0.00 C ATOM 1171 C LEU B 73 -3.324 -2.452 1.350 1.00 0.00 C ATOM 1172 O LEU B 73 -2.310 -3.141 1.397 1.00 0.00 O ATOM 1173 CB LEU B 73 -3.360 -0.068 0.609 1.00 0.00 C ATOM 1174 CG LEU B 73 -3.277 0.955 -0.523 1.00 0.00 C ATOM 1175 CD1 LEU B 73 -3.195 2.364 0.042 1.00 0.00 C ATOM 1176 CD2 LEU B 73 -2.079 0.671 -1.415 1.00 0.00 C ATOM 0 H LEU B 73 -5.531 -0.888 -0.261 1.00 0.00 H new ATOM 0 HA LEU B 73 -2.873 -1.759 -0.622 1.00 0.00 H new ATOM 0 HB2 LEU B 73 -4.174 0.219 1.275 1.00 0.00 H new ATOM 0 HB3 LEU B 73 -2.439 -0.016 1.190 1.00 0.00 H new ATOM 0 HG LEU B 73 -4.181 0.874 -1.127 1.00 0.00 H new ATOM 0 HD11 LEU B 73 -3.136 3.081 -0.777 1.00 0.00 H new ATOM 0 HD12 LEU B 73 -4.083 2.568 0.641 1.00 0.00 H new ATOM 0 HD13 LEU B 73 -2.307 2.454 0.668 1.00 0.00 H new ATOM 0 HD21 LEU B 73 -2.038 1.410 -2.215 1.00 0.00 H new ATOM 0 HD22 LEU B 73 -1.165 0.724 -0.824 1.00 0.00 H new ATOM 0 HD23 LEU B 73 -2.175 -0.325 -1.847 1.00 0.00 H new ATOM 1188 N ALA B 74 -4.247 -2.482 2.295 1.00 0.00 N ATOM 1189 CA ALA B 74 -4.091 -3.326 3.470 1.00 0.00 C ATOM 1190 C ALA B 74 -4.108 -4.808 3.104 1.00 0.00 C ATOM 1191 O ALA B 74 -3.556 -5.634 3.831 1.00 0.00 O ATOM 1192 CB ALA B 74 -5.153 -2.996 4.503 1.00 0.00 C ATOM 0 H ALA B 74 -5.108 -1.936 2.274 1.00 0.00 H new ATOM 0 HA ALA B 74 -3.114 -3.119 3.908 1.00 0.00 H new ATOM 0 HB1 ALA B 74 -5.023 -3.636 5.376 1.00 0.00 H new ATOM 0 HB2 ALA B 74 -5.059 -1.952 4.801 1.00 0.00 H new ATOM 0 HB3 ALA B 74 -6.141 -3.163 4.075 1.00 0.00 H new ATOM 1198 N LYS B 75 -4.719 -5.148 1.970 1.00 0.00 N ATOM 1199 CA LYS B 75 -4.689 -6.523 1.485 1.00 0.00 C ATOM 1200 C LYS B 75 -3.262 -6.948 1.158 1.00 0.00 C ATOM 1201 O LYS B 75 -2.881 -8.094 1.401 1.00 0.00 O ATOM 1202 CB LYS B 75 -5.577 -6.710 0.252 1.00 0.00 C ATOM 1203 CG LYS B 75 -7.061 -6.587 0.546 1.00 0.00 C ATOM 1204 CD LYS B 75 -7.913 -6.997 -0.645 1.00 0.00 C ATOM 1205 CE LYS B 75 -7.772 -8.481 -0.946 1.00 0.00 C ATOM 1206 NZ LYS B 75 -8.724 -8.934 -1.995 1.00 0.00 N1+ ATOM 0 H LYS B 75 -5.235 -4.497 1.377 1.00 0.00 H new ATOM 0 HA LYS B 75 -5.079 -7.153 2.284 1.00 0.00 H new ATOM 0 HB2 LYS B 75 -5.302 -5.970 -0.499 1.00 0.00 H new ATOM 0 HB3 LYS B 75 -5.381 -7.691 -0.181 1.00 0.00 H new ATOM 0 HG2 LYS B 75 -7.314 -7.210 1.404 1.00 0.00 H new ATOM 0 HG3 LYS B 75 -7.292 -5.558 0.820 1.00 0.00 H new ATOM 0 HD2 LYS B 75 -8.958 -6.763 -0.444 1.00 0.00 H new ATOM 0 HD3 LYS B 75 -7.620 -6.418 -1.520 1.00 0.00 H new ATOM 0 HE2 LYS B 75 -6.752 -8.689 -1.269 1.00 0.00 H new ATOM 0 HE3 LYS B 75 -7.940 -9.053 -0.033 1.00 0.00 H new ATOM 0 HZ1 LYS B 75 -8.592 -9.951 -2.168 1.00 0.00 H new ATOM 0 HZ2 LYS B 75 -9.699 -8.760 -1.677 1.00 0.00 H new ATOM 0 HZ3 LYS B 75 -8.547 -8.408 -2.875 1.00 0.00 H new ATOM 1220 N VAL B 76 -2.464 -6.024 0.623 1.00 0.00 N ATOM 1221 CA VAL B 76 -1.082 -6.342 0.292 1.00 0.00 C ATOM 1222 C VAL B 76 -0.250 -6.404 1.568 1.00 0.00 C ATOM 1223 O VAL B 76 0.654 -7.222 1.684 1.00 0.00 O ATOM 1224 CB VAL B 76 -0.450 -5.351 -0.728 1.00 0.00 C ATOM 1225 CG1 VAL B 76 -1.452 -4.980 -1.810 1.00 0.00 C ATOM 1226 CG2 VAL B 76 0.105 -4.103 -0.057 1.00 0.00 C ATOM 0 H VAL B 76 -2.747 -5.067 0.414 1.00 0.00 H new ATOM 0 HA VAL B 76 -1.085 -7.316 -0.197 1.00 0.00 H new ATOM 0 HB VAL B 76 0.392 -5.865 -1.191 1.00 0.00 H new ATOM 0 HG11 VAL B 76 -0.989 -4.287 -2.512 1.00 0.00 H new ATOM 0 HG12 VAL B 76 -1.764 -5.879 -2.341 1.00 0.00 H new ATOM 0 HG13 VAL B 76 -2.322 -4.508 -1.354 1.00 0.00 H new ATOM 0 HG21 VAL B 76 0.535 -3.444 -0.812 1.00 0.00 H new ATOM 0 HG22 VAL B 76 -0.698 -3.582 0.464 1.00 0.00 H new ATOM 0 HG23 VAL B 76 0.877 -4.387 0.658 1.00 0.00 H new ATOM 1236 N TYR B 77 -0.594 -5.558 2.540 1.00 0.00 N ATOM 1237 CA TYR B 77 0.058 -5.577 3.847 1.00 0.00 C ATOM 1238 C TYR B 77 -0.084 -6.950 4.489 1.00 0.00 C ATOM 1239 O TYR B 77 0.865 -7.478 5.071 1.00 0.00 O ATOM 1240 CB TYR B 77 -0.542 -4.497 4.755 1.00 0.00 C ATOM 1241 CG TYR B 77 -0.140 -4.619 6.212 1.00 0.00 C ATOM 1242 CD1 TYR B 77 1.191 -4.762 6.580 1.00 0.00 C ATOM 1243 CD2 TYR B 77 -1.097 -4.590 7.216 1.00 0.00 C ATOM 1244 CE1 TYR B 77 1.558 -4.875 7.905 1.00 0.00 C ATOM 1245 CE2 TYR B 77 -0.739 -4.700 8.546 1.00 0.00 C ATOM 1246 CZ TYR B 77 0.590 -4.843 8.887 1.00 0.00 C ATOM 1247 OH TYR B 77 0.950 -4.952 10.213 1.00 0.00 O ATOM 0 H TYR B 77 -1.322 -4.850 2.445 1.00 0.00 H new ATOM 0 HA TYR B 77 1.119 -5.367 3.711 1.00 0.00 H new ATOM 0 HB2 TYR B 77 -0.238 -3.517 4.386 1.00 0.00 H new ATOM 0 HB3 TYR B 77 -1.629 -4.541 4.684 1.00 0.00 H new ATOM 0 HD1 TYR B 77 1.953 -4.785 5.815 1.00 0.00 H new ATOM 0 HD2 TYR B 77 -2.139 -4.480 6.954 1.00 0.00 H new ATOM 0 HE1 TYR B 77 2.598 -4.988 8.172 1.00 0.00 H new ATOM 0 HE2 TYR B 77 -1.496 -4.674 9.315 1.00 0.00 H new ATOM 0 HH TYR B 77 0.148 -4.910 10.774 1.00 0.00 H new ATOM 1257 N ARG B 78 -1.269 -7.530 4.354 1.00 0.00 N ATOM 1258 CA ARG B 78 -1.539 -8.860 4.880 1.00 0.00 C ATOM 1259 C ARG B 78 -0.589 -9.882 4.275 1.00 0.00 C ATOM 1260 O ARG B 78 -0.156 -10.817 4.941 1.00 0.00 O ATOM 1261 CB ARG B 78 -2.978 -9.252 4.599 1.00 0.00 C ATOM 1262 CG ARG B 78 -3.959 -8.379 5.343 1.00 0.00 C ATOM 1263 CD ARG B 78 -5.355 -8.953 5.299 1.00 0.00 C ATOM 1264 NE ARG B 78 -5.409 -10.302 5.860 1.00 0.00 N ATOM 1265 CZ ARG B 78 -6.463 -11.112 5.774 1.00 0.00 C ATOM 1266 NH1 ARG B 78 -7.581 -10.697 5.191 1.00 0.00 N1+ ATOM 1267 NH2 ARG B 78 -6.398 -12.335 6.281 1.00 0.00 N ATOM 0 H ARG B 78 -2.062 -7.097 3.882 1.00 0.00 H new ATOM 0 HA ARG B 78 -1.381 -8.841 5.958 1.00 0.00 H new ATOM 0 HB2 ARG B 78 -3.170 -9.182 3.528 1.00 0.00 H new ATOM 0 HB3 ARG B 78 -3.132 -10.293 4.883 1.00 0.00 H new ATOM 0 HG2 ARG B 78 -3.640 -8.274 6.380 1.00 0.00 H new ATOM 0 HG3 ARG B 78 -3.961 -7.380 4.907 1.00 0.00 H new ATOM 0 HD2 ARG B 78 -6.032 -8.303 5.852 1.00 0.00 H new ATOM 0 HD3 ARG B 78 -5.706 -8.975 4.267 1.00 0.00 H new ATOM 0 HE ARG B 78 -4.584 -10.646 6.351 1.00 0.00 H new ATOM 0 HH11 ARG B 78 -7.636 -9.754 4.806 1.00 0.00 H new ATOM 0 HH12 ARG B 78 -8.385 -11.321 5.128 1.00 0.00 H new ATOM 0 HH21 ARG B 78 -5.542 -12.654 6.736 1.00 0.00 H new ATOM 0 HH22 ARG B 78 -7.204 -12.957 6.217 1.00 0.00 H new ATOM 1281 N ILE B 79 -0.253 -9.666 3.013 1.00 0.00 N ATOM 1282 CA ILE B 79 0.626 -10.561 2.268 1.00 0.00 C ATOM 1283 C ILE B 79 2.031 -10.599 2.865 1.00 0.00 C ATOM 1284 O ILE B 79 2.644 -11.663 2.951 1.00 0.00 O ATOM 1285 CB ILE B 79 0.717 -10.137 0.788 1.00 0.00 C ATOM 1286 CG1 ILE B 79 -0.664 -10.204 0.136 1.00 0.00 C ATOM 1287 CG2 ILE B 79 1.709 -11.009 0.029 1.00 0.00 C ATOM 1288 CD1 ILE B 79 -0.671 -9.753 -1.304 1.00 0.00 C ATOM 0 H ILE B 79 -0.581 -8.865 2.474 1.00 0.00 H new ATOM 0 HA ILE B 79 0.191 -11.558 2.335 1.00 0.00 H new ATOM 0 HB ILE B 79 1.076 -9.109 0.748 1.00 0.00 H new ATOM 0 HG12 ILE B 79 -1.033 -11.228 0.190 1.00 0.00 H new ATOM 0 HG13 ILE B 79 -1.357 -9.585 0.706 1.00 0.00 H new ATOM 0 HG21 ILE B 79 1.753 -10.688 -1.012 1.00 0.00 H new ATOM 0 HG22 ILE B 79 2.697 -10.914 0.480 1.00 0.00 H new ATOM 0 HG23 ILE B 79 1.388 -12.050 0.075 1.00 0.00 H new ATOM 0 HD11 ILE B 79 -1.683 -9.827 -1.703 1.00 0.00 H new ATOM 0 HD12 ILE B 79 -0.332 -8.719 -1.363 1.00 0.00 H new ATOM 0 HD13 ILE B 79 -0.004 -10.387 -1.887 1.00 0.00 H new ATOM 1300 N LEU B 80 2.539 -9.444 3.282 1.00 0.00 N ATOM 1301 CA LEU B 80 3.886 -9.372 3.841 1.00 0.00 C ATOM 1302 C LEU B 80 3.940 -10.024 5.219 1.00 0.00 C ATOM 1303 O LEU B 80 5.019 -10.336 5.730 1.00 0.00 O ATOM 1304 CB LEU B 80 4.399 -7.923 3.912 1.00 0.00 C ATOM 1305 CG LEU B 80 4.772 -7.275 2.565 1.00 0.00 C ATOM 1306 CD1 LEU B 80 5.576 -8.232 1.701 1.00 0.00 C ATOM 1307 CD2 LEU B 80 3.539 -6.790 1.831 1.00 0.00 C ATOM 0 H LEU B 80 2.045 -8.552 3.245 1.00 0.00 H new ATOM 0 HA LEU B 80 4.543 -9.924 3.169 1.00 0.00 H new ATOM 0 HB2 LEU B 80 3.634 -7.310 4.389 1.00 0.00 H new ATOM 0 HB3 LEU B 80 5.275 -7.900 4.560 1.00 0.00 H new ATOM 0 HG LEU B 80 5.398 -6.408 2.777 1.00 0.00 H new ATOM 0 HD11 LEU B 80 5.825 -7.748 0.757 1.00 0.00 H new ATOM 0 HD12 LEU B 80 6.494 -8.508 2.221 1.00 0.00 H new ATOM 0 HD13 LEU B 80 4.987 -9.128 1.505 1.00 0.00 H new ATOM 0 HD21 LEU B 80 3.834 -6.337 0.884 1.00 0.00 H new ATOM 0 HD22 LEU B 80 2.875 -7.633 1.639 1.00 0.00 H new ATOM 0 HD23 LEU B 80 3.020 -6.050 2.441 1.00 0.00 H new ATOM 1319 N SER B 81 2.777 -10.223 5.821 1.00 0.00 N ATOM 1320 CA SER B 81 2.690 -10.972 7.061 1.00 0.00 C ATOM 1321 C SER B 81 2.482 -12.452 6.752 1.00 0.00 C ATOM 1322 O SER B 81 3.213 -13.310 7.245 1.00 0.00 O ATOM 1323 CB SER B 81 1.534 -10.446 7.914 1.00 0.00 C ATOM 1324 OG SER B 81 1.636 -9.044 8.102 1.00 0.00 O ATOM 0 H SER B 81 1.884 -9.877 5.471 1.00 0.00 H new ATOM 0 HA SER B 81 3.619 -10.849 7.618 1.00 0.00 H new ATOM 0 HB2 SER B 81 0.585 -10.684 7.433 1.00 0.00 H new ATOM 0 HB3 SER B 81 1.535 -10.947 8.882 1.00 0.00 H new ATOM 0 HG SER B 81 0.885 -8.732 8.649 1.00 0.00 H new ATOM 1330 N SER B 82 1.497 -12.728 5.906 1.00 0.00 N ATOM 1331 CA SER B 82 1.187 -14.080 5.460 1.00 0.00 C ATOM 1332 C SER B 82 0.248 -14.023 4.260 1.00 0.00 C ATOM 1333 O SER B 82 -0.853 -13.487 4.356 1.00 0.00 O ATOM 1334 CB SER B 82 0.527 -14.897 6.581 1.00 0.00 C ATOM 1335 OG SER B 82 1.434 -15.163 7.640 1.00 0.00 O ATOM 0 H SER B 82 0.887 -12.014 5.507 1.00 0.00 H new ATOM 0 HA SER B 82 2.122 -14.566 5.181 1.00 0.00 H new ATOM 0 HB2 SER B 82 -0.335 -14.354 6.968 1.00 0.00 H new ATOM 0 HB3 SER B 82 0.155 -15.838 6.175 1.00 0.00 H new ATOM 0 HG SER B 82 2.308 -14.773 7.428 1.00 0.00 H new ATOM 1341 N THR B 83 0.684 -14.553 3.127 1.00 0.00 N ATOM 1342 CA THR B 83 -0.184 -14.641 1.961 1.00 0.00 C ATOM 1343 C THR B 83 -0.970 -15.945 2.030 1.00 0.00 C ATOM 1344 O THR B 83 -2.043 -16.085 1.438 1.00 0.00 O ATOM 1345 CB THR B 83 0.614 -14.559 0.634 1.00 0.00 C ATOM 1346 OG1 THR B 83 -0.268 -14.286 -0.462 1.00 0.00 O ATOM 1347 CG2 THR B 83 1.376 -15.849 0.354 1.00 0.00 C ATOM 0 H THR B 83 1.624 -14.925 2.990 1.00 0.00 H new ATOM 0 HA THR B 83 -0.866 -13.791 1.972 1.00 0.00 H new ATOM 0 HB THR B 83 1.335 -13.748 0.740 1.00 0.00 H new ATOM 0 HG1 THR B 83 0.249 -14.235 -1.293 1.00 0.00 H new ATOM 0 HG21 THR B 83 1.923 -15.752 -0.584 1.00 0.00 H new ATOM 0 HG22 THR B 83 2.078 -16.040 1.165 1.00 0.00 H new ATOM 0 HG23 THR B 83 0.673 -16.678 0.280 1.00 0.00 H new ATOM 1355 N VAL B 84 -0.414 -16.887 2.782 1.00 0.00 N ATOM 1356 CA VAL B 84 -1.027 -18.180 3.020 1.00 0.00 C ATOM 1357 C VAL B 84 -0.685 -18.639 4.430 1.00 0.00 C ATOM 1358 O VAL B 84 0.022 -17.940 5.159 1.00 0.00 O ATOM 1359 CB VAL B 84 -0.541 -19.245 2.011 1.00 0.00 C ATOM 1360 CG1 VAL B 84 -1.145 -19.012 0.636 1.00 0.00 C ATOM 1361 CG2 VAL B 84 0.978 -19.258 1.930 1.00 0.00 C ATOM 0 H VAL B 84 0.486 -16.769 3.247 1.00 0.00 H new ATOM 0 HA VAL B 84 -2.104 -18.069 2.897 1.00 0.00 H new ATOM 0 HB VAL B 84 -0.876 -20.219 2.367 1.00 0.00 H new ATOM 0 HG11 VAL B 84 -0.786 -19.776 -0.053 1.00 0.00 H new ATOM 0 HG12 VAL B 84 -2.232 -19.065 0.702 1.00 0.00 H new ATOM 0 HG13 VAL B 84 -0.851 -18.028 0.272 1.00 0.00 H new ATOM 0 HG21 VAL B 84 1.298 -20.015 1.214 1.00 0.00 H new ATOM 0 HG22 VAL B 84 1.334 -18.280 1.607 1.00 0.00 H new ATOM 0 HG23 VAL B 84 1.393 -19.489 2.911 1.00 0.00 H new ATOM 1371 N ASN B 85 -1.158 -19.816 4.805 1.00 0.00 N ATOM 1372 CA ASN B 85 -0.934 -20.338 6.152 1.00 0.00 C ATOM 1373 C ASN B 85 0.429 -21.017 6.269 1.00 0.00 C ATOM 1374 O ASN B 85 0.633 -21.874 7.128 1.00 0.00 O ATOM 1375 CB ASN B 85 -2.044 -21.320 6.545 1.00 0.00 C ATOM 1376 CG ASN B 85 -2.106 -22.541 5.645 1.00 0.00 C ATOM 1377 OD1 ASN B 85 -1.427 -23.542 5.885 1.00 0.00 O ATOM 1378 ND2 ASN B 85 -2.931 -22.478 4.612 1.00 0.00 N ATOM 0 H ASN B 85 -1.700 -20.432 4.199 1.00 0.00 H new ATOM 0 HA ASN B 85 -0.952 -19.490 6.837 1.00 0.00 H new ATOM 0 HB2 ASN B 85 -1.888 -21.643 7.574 1.00 0.00 H new ATOM 0 HB3 ASN B 85 -3.004 -20.805 6.515 1.00 0.00 H new ATOM 0 HD21 ASN B 85 -3.021 -23.275 3.982 1.00 0.00 H new ATOM 0 HD22 ASN B 85 -3.477 -21.632 4.446 1.00 0.00 H new ATOM 1385 N ASP B 86 1.358 -20.626 5.408 1.00 0.00 N ATOM 1386 CA ASP B 86 2.711 -21.172 5.438 1.00 0.00 C ATOM 1387 C ASP B 86 3.683 -20.255 4.699 1.00 0.00 C ATOM 1388 O ASP B 86 4.270 -19.357 5.301 1.00 0.00 O ATOM 1389 CB ASP B 86 2.742 -22.583 4.838 1.00 0.00 C ATOM 1390 CG ASP B 86 4.141 -23.168 4.801 1.00 0.00 C ATOM 1391 OD1 ASP B 86 4.638 -23.615 5.854 1.00 0.00 O1- ATOM 1392 OD2 ASP B 86 4.755 -23.176 3.719 1.00 0.00 O ATOM 0 H ASP B 86 1.201 -19.931 4.678 1.00 0.00 H new ATOM 0 HA ASP B 86 3.025 -21.235 6.480 1.00 0.00 H new ATOM 0 HB2 ASP B 86 2.094 -23.237 5.421 1.00 0.00 H new ATOM 0 HB3 ASP B 86 2.337 -22.553 3.826 1.00 0.00 H new ATOM 1397 N GLY B 87 3.832 -20.464 3.395 1.00 0.00 N ATOM 1398 CA GLY B 87 4.757 -19.665 2.612 1.00 0.00 C ATOM 1399 C GLY B 87 6.205 -19.910 2.999 1.00 0.00 C ATOM 1400 O GLY B 87 7.040 -19.011 2.912 1.00 0.00 O ATOM 0 H GLY B 87 3.327 -21.175 2.865 1.00 0.00 H new ATOM 0 HA2 GLY B 87 4.623 -19.892 1.554 1.00 0.00 H new ATOM 0 HA3 GLY B 87 4.522 -18.609 2.744 1.00 0.00 H new ATOM 1404 N SER B 88 6.504 -21.127 3.427 1.00 0.00 N ATOM 1405 CA SER B 88 7.850 -21.471 3.851 1.00 0.00 C ATOM 1406 C SER B 88 8.727 -21.810 2.649 1.00 0.00 C ATOM 1407 O SER B 88 8.346 -22.611 1.792 1.00 0.00 O ATOM 1408 CB SER B 88 7.805 -22.646 4.829 1.00 0.00 C ATOM 1409 OG SER B 88 6.995 -22.339 5.956 1.00 0.00 O ATOM 0 H SER B 88 5.832 -21.892 3.489 1.00 0.00 H new ATOM 0 HA SER B 88 8.287 -20.609 4.355 1.00 0.00 H new ATOM 0 HB2 SER B 88 7.413 -23.529 4.324 1.00 0.00 H new ATOM 0 HB3 SER B 88 8.815 -22.889 5.158 1.00 0.00 H new ATOM 0 HG SER B 88 6.260 -22.985 6.017 1.00 0.00 H new ATOM 1415 N SER B 89 9.898 -21.194 2.588 1.00 0.00 N ATOM 1416 CA SER B 89 10.827 -21.415 1.490 1.00 0.00 C ATOM 1417 C SER B 89 12.156 -21.945 2.021 1.00 0.00 C ATOM 1418 O SER B 89 12.253 -22.330 3.188 1.00 0.00 O ATOM 1419 CB SER B 89 11.056 -20.107 0.728 1.00 0.00 C ATOM 1420 OG SER B 89 9.831 -19.477 0.402 1.00 0.00 O ATOM 0 H SER B 89 10.229 -20.533 3.291 1.00 0.00 H new ATOM 0 HA SER B 89 10.399 -22.154 0.812 1.00 0.00 H new ATOM 0 HB2 SER B 89 11.663 -19.434 1.333 1.00 0.00 H new ATOM 0 HB3 SER B 89 11.617 -20.309 -0.185 1.00 0.00 H new ATOM 0 HG SER B 89 9.999 -18.734 -0.215 1.00 0.00 H new ATOM 1426 N GLY B 90 13.171 -21.973 1.168 1.00 0.00 N ATOM 1427 CA GLY B 90 14.493 -22.371 1.604 1.00 0.00 C ATOM 1428 C GLY B 90 15.169 -21.289 2.423 1.00 0.00 C ATOM 1429 O GLY B 90 15.508 -21.500 3.586 1.00 0.00 O ATOM 0 H GLY B 90 13.101 -21.727 0.181 1.00 0.00 H new ATOM 0 HA2 GLY B 90 14.420 -23.283 2.197 1.00 0.00 H new ATOM 0 HA3 GLY B 90 15.107 -22.605 0.734 1.00 0.00 H new ATOM 1433 N LYS B 91 15.360 -20.126 1.815 1.00 0.00 N ATOM 1434 CA LYS B 91 15.982 -18.997 2.496 1.00 0.00 C ATOM 1435 C LYS B 91 15.347 -17.683 2.054 1.00 0.00 C ATOM 1436 O LYS B 91 15.923 -16.608 2.228 1.00 0.00 O ATOM 1437 CB LYS B 91 17.491 -18.970 2.226 1.00 0.00 C ATOM 1438 CG LYS B 91 17.851 -18.868 0.750 1.00 0.00 C ATOM 1439 CD LYS B 91 19.357 -18.797 0.543 1.00 0.00 C ATOM 1440 CE LYS B 91 19.944 -17.511 1.105 1.00 0.00 C ATOM 1441 NZ LYS B 91 21.421 -17.459 0.953 1.00 0.00 N1+ ATOM 0 H LYS B 91 15.092 -19.939 0.849 1.00 0.00 H new ATOM 0 HA LYS B 91 15.820 -19.117 3.567 1.00 0.00 H new ATOM 0 HB2 LYS B 91 17.930 -18.125 2.756 1.00 0.00 H new ATOM 0 HB3 LYS B 91 17.940 -19.874 2.638 1.00 0.00 H new ATOM 0 HG2 LYS B 91 17.450 -19.730 0.217 1.00 0.00 H new ATOM 0 HG3 LYS B 91 17.382 -17.982 0.321 1.00 0.00 H new ATOM 0 HD2 LYS B 91 19.831 -19.653 1.023 1.00 0.00 H new ATOM 0 HD3 LYS B 91 19.581 -18.864 -0.522 1.00 0.00 H new ATOM 0 HE2 LYS B 91 19.497 -16.656 0.597 1.00 0.00 H new ATOM 0 HE3 LYS B 91 19.685 -17.425 2.160 1.00 0.00 H new ATOM 0 HZ1 LYS B 91 21.780 -16.567 1.349 1.00 0.00 H new ATOM 0 HZ2 LYS B 91 21.850 -18.260 1.459 1.00 0.00 H new ATOM 0 HZ3 LYS B 91 21.668 -17.514 -0.056 1.00 0.00 H new ATOM 1455 N MET B 92 14.154 -17.771 1.489 1.00 0.00 N ATOM 1456 CA MET B 92 13.469 -16.591 0.984 1.00 0.00 C ATOM 1457 C MET B 92 12.350 -16.162 1.921 1.00 0.00 C ATOM 1458 O MET B 92 12.557 -15.309 2.781 1.00 0.00 O ATOM 1459 CB MET B 92 12.919 -16.834 -0.416 1.00 0.00 C ATOM 1460 CG MET B 92 13.993 -16.926 -1.488 1.00 0.00 C ATOM 1461 SD MET B 92 13.294 -17.014 -3.142 1.00 0.00 S ATOM 1462 CE MET B 92 12.061 -18.278 -2.880 1.00 0.00 C ATOM 0 H MET B 92 13.641 -18.644 1.368 1.00 0.00 H new ATOM 0 HA MET B 92 14.201 -15.785 0.932 1.00 0.00 H new ATOM 0 HB2 MET B 92 12.340 -17.758 -0.414 1.00 0.00 H new ATOM 0 HB3 MET B 92 12.231 -16.028 -0.671 1.00 0.00 H new ATOM 0 HG2 MET B 92 14.649 -16.058 -1.418 1.00 0.00 H new ATOM 0 HG3 MET B 92 14.609 -17.807 -1.308 1.00 0.00 H new ATOM 0 HE1 MET B 92 11.778 -18.714 -3.838 1.00 0.00 H new ATOM 0 HE2 MET B 92 12.469 -19.056 -2.234 1.00 0.00 H new ATOM 0 HE3 MET B 92 11.183 -17.837 -2.408 1.00 0.00 H new ATOM 1472 N ASN B 93 11.177 -16.772 1.749 1.00 0.00 N ATOM 1473 CA ASN B 93 9.972 -16.430 2.510 1.00 0.00 C ATOM 1474 C ASN B 93 9.563 -14.977 2.286 1.00 0.00 C ATOM 1475 O ASN B 93 8.674 -14.698 1.488 1.00 0.00 O ATOM 1476 CB ASN B 93 10.144 -16.707 4.006 1.00 0.00 C ATOM 1477 CG ASN B 93 8.885 -16.407 4.801 1.00 0.00 C ATOM 1478 OD1 ASN B 93 7.724 -16.615 4.191 1.00 0.00 O flip ATOM 1479 ND2 ASN B 93 8.952 -16.002 5.960 1.00 0.00 N flip ATOM 0 H ASN B 93 11.034 -17.523 1.073 1.00 0.00 H new ATOM 0 HA ASN B 93 9.175 -17.073 2.138 1.00 0.00 H new ATOM 0 HB2 ASN B 93 10.420 -17.752 4.149 1.00 0.00 H new ATOM 0 HB3 ASN B 93 10.966 -16.104 4.392 1.00 0.00 H new ATOM 0 HD21 ASN B 93 9.862 -15.854 6.397 1.00 0.00 H new ATOM 0 HD22 ASN B 93 8.098 -15.815 6.485 1.00 0.00 H new ATOM 1486 N SER B 94 10.237 -14.058 2.960 1.00 0.00 N ATOM 1487 CA SER B 94 9.919 -12.643 2.863 1.00 0.00 C ATOM 1488 C SER B 94 10.087 -12.152 1.430 1.00 0.00 C ATOM 1489 O SER B 94 9.354 -11.281 0.969 1.00 0.00 O ATOM 1490 CB SER B 94 10.811 -11.849 3.815 1.00 0.00 C ATOM 1491 OG SER B 94 12.152 -12.311 3.760 1.00 0.00 O ATOM 0 H SER B 94 11.014 -14.270 3.585 1.00 0.00 H new ATOM 0 HA SER B 94 8.878 -12.493 3.148 1.00 0.00 H new ATOM 0 HB2 SER B 94 10.776 -10.791 3.554 1.00 0.00 H new ATOM 0 HB3 SER B 94 10.433 -11.939 4.833 1.00 0.00 H new ATOM 0 HG SER B 94 12.704 -11.787 4.377 1.00 0.00 H new ATOM 1497 N ASP B 95 11.035 -12.750 0.721 1.00 0.00 N ATOM 1498 CA ASP B 95 11.295 -12.381 -0.664 1.00 0.00 C ATOM 1499 C ASP B 95 10.146 -12.846 -1.554 1.00 0.00 C ATOM 1500 O ASP B 95 9.801 -12.195 -2.540 1.00 0.00 O ATOM 1501 CB ASP B 95 12.616 -12.988 -1.143 1.00 0.00 C ATOM 1502 CG ASP B 95 12.983 -12.549 -2.547 1.00 0.00 C ATOM 1503 OD1 ASP B 95 13.497 -11.422 -2.707 1.00 0.00 O1- ATOM 1504 OD2 ASP B 95 12.758 -13.324 -3.499 1.00 0.00 O ATOM 0 H ASP B 95 11.636 -13.491 1.081 1.00 0.00 H new ATOM 0 HA ASP B 95 11.373 -11.296 -0.726 1.00 0.00 H new ATOM 0 HB2 ASP B 95 13.413 -12.702 -0.457 1.00 0.00 H new ATOM 0 HB3 ASP B 95 12.544 -14.075 -1.113 1.00 0.00 H new ATOM 1509 N LEU B 96 9.538 -13.965 -1.179 1.00 0.00 N ATOM 1510 CA LEU B 96 8.408 -14.502 -1.917 1.00 0.00 C ATOM 1511 C LEU B 96 7.172 -13.658 -1.618 1.00 0.00 C ATOM 1512 O LEU B 96 6.369 -13.372 -2.508 1.00 0.00 O ATOM 1513 CB LEU B 96 8.201 -15.989 -1.552 1.00 0.00 C ATOM 1514 CG LEU B 96 6.972 -16.337 -0.700 1.00 0.00 C ATOM 1515 CD1 LEU B 96 5.727 -16.473 -1.563 1.00 0.00 C ATOM 1516 CD2 LEU B 96 7.218 -17.621 0.067 1.00 0.00 C ATOM 0 H LEU B 96 9.811 -14.517 -0.366 1.00 0.00 H new ATOM 0 HA LEU B 96 8.597 -14.457 -2.989 1.00 0.00 H new ATOM 0 HB2 LEU B 96 8.142 -16.560 -2.479 1.00 0.00 H new ATOM 0 HB3 LEU B 96 9.089 -16.334 -1.021 1.00 0.00 H new ATOM 0 HG LEU B 96 6.807 -15.523 0.006 1.00 0.00 H new ATOM 0 HD11 LEU B 96 4.873 -16.720 -0.933 1.00 0.00 H new ATOM 0 HD12 LEU B 96 5.537 -15.532 -2.079 1.00 0.00 H new ATOM 0 HD13 LEU B 96 5.877 -17.265 -2.297 1.00 0.00 H new ATOM 0 HD21 LEU B 96 6.341 -17.859 0.668 1.00 0.00 H new ATOM 0 HD22 LEU B 96 7.409 -18.433 -0.635 1.00 0.00 H new ATOM 0 HD23 LEU B 96 8.082 -17.495 0.720 1.00 0.00 H new ATOM 1528 N GLN B 97 7.049 -13.231 -0.365 1.00 0.00 N ATOM 1529 CA GLN B 97 5.943 -12.379 0.046 1.00 0.00 C ATOM 1530 C GLN B 97 6.036 -11.036 -0.662 1.00 0.00 C ATOM 1531 O GLN B 97 5.021 -10.442 -1.023 1.00 0.00 O ATOM 1532 CB GLN B 97 5.945 -12.180 1.566 1.00 0.00 C ATOM 1533 CG GLN B 97 5.978 -13.485 2.350 1.00 0.00 C ATOM 1534 CD GLN B 97 4.855 -14.432 1.967 1.00 0.00 C ATOM 1535 OE1 GLN B 97 3.700 -13.882 1.638 1.00 0.00 O flip ATOM 1536 NE2 GLN B 97 5.017 -15.650 1.998 1.00 0.00 N flip ATOM 0 H GLN B 97 7.703 -13.462 0.383 1.00 0.00 H new ATOM 0 HA GLN B 97 5.008 -12.865 -0.231 1.00 0.00 H new ATOM 0 HB2 GLN B 97 6.809 -11.576 1.844 1.00 0.00 H new ATOM 0 HB3 GLN B 97 5.057 -11.616 1.852 1.00 0.00 H new ATOM 0 HG2 GLN B 97 6.935 -13.979 2.184 1.00 0.00 H new ATOM 0 HG3 GLN B 97 5.913 -13.265 3.416 1.00 0.00 H new ATOM 0 HE21 GLN B 97 5.924 -16.037 2.257 1.00 0.00 H new ATOM 0 HE22 GLN B 97 4.244 -16.273 1.765 1.00 0.00 H new ATOM 1545 N LYS B 98 7.268 -10.572 -0.859 1.00 0.00 N ATOM 1546 CA LYS B 98 7.532 -9.372 -1.641 1.00 0.00 C ATOM 1547 C LYS B 98 6.907 -9.489 -3.025 1.00 0.00 C ATOM 1548 O LYS B 98 6.206 -8.587 -3.475 1.00 0.00 O ATOM 1549 CB LYS B 98 9.042 -9.150 -1.780 1.00 0.00 C ATOM 1550 CG LYS B 98 9.594 -7.996 -0.954 1.00 0.00 C ATOM 1551 CD LYS B 98 9.340 -8.173 0.533 1.00 0.00 C ATOM 1552 CE LYS B 98 10.088 -7.132 1.351 1.00 0.00 C ATOM 1553 NZ LYS B 98 9.691 -5.742 0.995 1.00 0.00 N1+ ATOM 0 H LYS B 98 8.105 -11.016 -0.482 1.00 0.00 H new ATOM 0 HA LYS B 98 7.089 -8.522 -1.121 1.00 0.00 H new ATOM 0 HB2 LYS B 98 9.558 -10.065 -1.491 1.00 0.00 H new ATOM 0 HB3 LYS B 98 9.274 -8.971 -2.830 1.00 0.00 H new ATOM 0 HG2 LYS B 98 10.666 -7.909 -1.128 1.00 0.00 H new ATOM 0 HG3 LYS B 98 9.140 -7.064 -1.289 1.00 0.00 H new ATOM 0 HD2 LYS B 98 8.271 -8.096 0.733 1.00 0.00 H new ATOM 0 HD3 LYS B 98 9.651 -9.172 0.840 1.00 0.00 H new ATOM 0 HE2 LYS B 98 9.899 -7.301 2.411 1.00 0.00 H new ATOM 0 HE3 LYS B 98 11.160 -7.252 1.195 1.00 0.00 H new ATOM 0 HZ1 LYS B 98 10.095 -5.078 1.686 1.00 0.00 H new ATOM 0 HZ2 LYS B 98 10.046 -5.512 0.045 1.00 0.00 H new ATOM 0 HZ3 LYS B 98 8.654 -5.664 1.005 1.00 0.00 H new ATOM 1567 N GLU B 99 7.152 -10.619 -3.682 1.00 0.00 N ATOM 1568 CA GLU B 99 6.645 -10.856 -5.029 1.00 0.00 C ATOM 1569 C GLU B 99 5.124 -10.803 -5.049 1.00 0.00 C ATOM 1570 O GLU B 99 4.529 -10.099 -5.864 1.00 0.00 O ATOM 1571 CB GLU B 99 7.110 -12.217 -5.541 1.00 0.00 C ATOM 1572 CG GLU B 99 6.832 -12.446 -7.018 1.00 0.00 C ATOM 1573 CD GLU B 99 7.448 -13.732 -7.524 1.00 0.00 C ATOM 1574 OE1 GLU B 99 6.836 -14.806 -7.342 1.00 0.00 O1- ATOM 1575 OE2 GLU B 99 8.557 -13.681 -8.095 1.00 0.00 O ATOM 0 H GLU B 99 7.702 -11.389 -3.300 1.00 0.00 H new ATOM 0 HA GLU B 99 7.037 -10.073 -5.678 1.00 0.00 H new ATOM 0 HB2 GLU B 99 8.181 -12.315 -5.363 1.00 0.00 H new ATOM 0 HB3 GLU B 99 6.618 -12.999 -4.963 1.00 0.00 H new ATOM 0 HG2 GLU B 99 5.755 -12.472 -7.183 1.00 0.00 H new ATOM 0 HG3 GLU B 99 7.223 -11.607 -7.594 1.00 0.00 H new ATOM 1582 N LEU B 100 4.502 -11.546 -4.142 1.00 0.00 N ATOM 1583 CA LEU B 100 3.047 -11.606 -4.072 1.00 0.00 C ATOM 1584 C LEU B 100 2.460 -10.230 -3.783 1.00 0.00 C ATOM 1585 O LEU B 100 1.405 -9.874 -4.307 1.00 0.00 O ATOM 1586 CB LEU B 100 2.587 -12.611 -3.011 1.00 0.00 C ATOM 1587 CG LEU B 100 2.499 -14.076 -3.466 1.00 0.00 C ATOM 1588 CD1 LEU B 100 1.439 -14.238 -4.546 1.00 0.00 C ATOM 1589 CD2 LEU B 100 3.845 -14.571 -3.969 1.00 0.00 C ATOM 0 H LEU B 100 4.982 -12.115 -3.445 1.00 0.00 H new ATOM 0 HA LEU B 100 2.683 -11.942 -5.043 1.00 0.00 H new ATOM 0 HB2 LEU B 100 3.271 -12.554 -2.164 1.00 0.00 H new ATOM 0 HB3 LEU B 100 1.606 -12.304 -2.649 1.00 0.00 H new ATOM 0 HG LEU B 100 2.214 -14.679 -2.604 1.00 0.00 H new ATOM 0 HD11 LEU B 100 1.391 -15.282 -4.855 1.00 0.00 H new ATOM 0 HD12 LEU B 100 0.470 -13.931 -4.153 1.00 0.00 H new ATOM 0 HD13 LEU B 100 1.696 -13.617 -5.404 1.00 0.00 H new ATOM 0 HD21 LEU B 100 3.756 -15.610 -4.285 1.00 0.00 H new ATOM 0 HD22 LEU B 100 4.164 -13.961 -4.814 1.00 0.00 H new ATOM 0 HD23 LEU B 100 4.582 -14.497 -3.169 1.00 0.00 H new ATOM 1601 N ALA B 101 3.154 -9.456 -2.959 1.00 0.00 N ATOM 1602 CA ALA B 101 2.738 -8.096 -2.667 1.00 0.00 C ATOM 1603 C ALA B 101 2.795 -7.243 -3.934 1.00 0.00 C ATOM 1604 O ALA B 101 1.845 -6.527 -4.253 1.00 0.00 O ATOM 1605 CB ALA B 101 3.600 -7.500 -1.560 1.00 0.00 C ATOM 0 H ALA B 101 4.007 -9.749 -2.483 1.00 0.00 H new ATOM 0 HA ALA B 101 1.707 -8.110 -2.315 1.00 0.00 H new ATOM 0 HB1 ALA B 101 3.274 -6.480 -1.354 1.00 0.00 H new ATOM 0 HB2 ALA B 101 3.500 -8.102 -0.657 1.00 0.00 H new ATOM 0 HB3 ALA B 101 4.643 -7.491 -1.876 1.00 0.00 H new ATOM 1611 N VAL B 102 3.902 -7.356 -4.670 1.00 0.00 N ATOM 1612 CA VAL B 102 4.077 -6.637 -5.935 1.00 0.00 C ATOM 1613 C VAL B 102 2.967 -6.998 -6.922 1.00 0.00 C ATOM 1614 O VAL B 102 2.467 -6.145 -7.660 1.00 0.00 O ATOM 1615 CB VAL B 102 5.451 -6.957 -6.578 1.00 0.00 C ATOM 1616 CG1 VAL B 102 5.580 -6.324 -7.955 1.00 0.00 C ATOM 1617 CG2 VAL B 102 6.587 -6.489 -5.687 1.00 0.00 C ATOM 0 H VAL B 102 4.696 -7.942 -4.410 1.00 0.00 H new ATOM 0 HA VAL B 102 4.031 -5.572 -5.710 1.00 0.00 H new ATOM 0 HB VAL B 102 5.513 -8.039 -6.690 1.00 0.00 H new ATOM 0 HG11 VAL B 102 6.555 -6.568 -8.378 1.00 0.00 H new ATOM 0 HG12 VAL B 102 4.795 -6.708 -8.607 1.00 0.00 H new ATOM 0 HG13 VAL B 102 5.482 -5.242 -7.869 1.00 0.00 H new ATOM 0 HG21 VAL B 102 7.541 -6.725 -6.159 1.00 0.00 H new ATOM 0 HG22 VAL B 102 6.512 -5.412 -5.538 1.00 0.00 H new ATOM 0 HG23 VAL B 102 6.525 -6.994 -4.723 1.00 0.00 H new ATOM 1627 N ASN B 103 2.580 -8.267 -6.916 1.00 0.00 N ATOM 1628 CA ASN B 103 1.546 -8.771 -7.814 1.00 0.00 C ATOM 1629 C ASN B 103 0.234 -8.010 -7.648 1.00 0.00 C ATOM 1630 O ASN B 103 -0.462 -7.740 -8.628 1.00 0.00 O ATOM 1631 CB ASN B 103 1.321 -10.265 -7.579 1.00 0.00 C ATOM 1632 CG ASN B 103 2.226 -11.139 -8.426 1.00 0.00 C ATOM 1633 OD1 ASN B 103 1.860 -11.536 -9.532 1.00 0.00 O ATOM 1634 ND2 ASN B 103 3.409 -11.444 -7.923 1.00 0.00 N ATOM 0 H ASN B 103 2.971 -8.973 -6.293 1.00 0.00 H new ATOM 0 HA ASN B 103 1.893 -8.616 -8.836 1.00 0.00 H new ATOM 0 HB2 ASN B 103 1.488 -10.491 -6.526 1.00 0.00 H new ATOM 0 HB3 ASN B 103 0.281 -10.509 -7.796 1.00 0.00 H new ATOM 0 HD21 ASN B 103 4.054 -12.027 -8.455 1.00 0.00 H new ATOM 0 HD22 ASN B 103 3.677 -11.096 -7.002 1.00 0.00 H new ATOM 1641 N TYR B 104 -0.086 -7.634 -6.418 1.00 0.00 N ATOM 1642 CA TYR B 104 -1.328 -6.929 -6.145 1.00 0.00 C ATOM 1643 C TYR B 104 -1.263 -5.497 -6.660 1.00 0.00 C ATOM 1644 O TYR B 104 -2.209 -5.013 -7.280 1.00 0.00 O ATOM 1645 CB TYR B 104 -1.645 -6.947 -4.651 1.00 0.00 C ATOM 1646 CG TYR B 104 -2.371 -8.194 -4.193 1.00 0.00 C ATOM 1647 CD1 TYR B 104 -1.953 -9.459 -4.591 1.00 0.00 C ATOM 1648 CD2 TYR B 104 -3.479 -8.103 -3.359 1.00 0.00 C ATOM 1649 CE1 TYR B 104 -2.619 -10.595 -4.170 1.00 0.00 C ATOM 1650 CE2 TYR B 104 -4.148 -9.234 -2.934 1.00 0.00 C ATOM 1651 CZ TYR B 104 -3.715 -10.477 -3.343 1.00 0.00 C ATOM 1652 OH TYR B 104 -4.382 -11.606 -2.921 1.00 0.00 O ATOM 0 H TYR B 104 0.495 -7.805 -5.597 1.00 0.00 H new ATOM 0 HA TYR B 104 -2.131 -7.445 -6.672 1.00 0.00 H new ATOM 0 HB2 TYR B 104 -0.715 -6.854 -4.091 1.00 0.00 H new ATOM 0 HB3 TYR B 104 -2.252 -6.075 -4.408 1.00 0.00 H new ATOM 0 HD1 TYR B 104 -1.095 -9.556 -5.239 1.00 0.00 H new ATOM 0 HD2 TYR B 104 -3.823 -7.131 -3.038 1.00 0.00 H new ATOM 0 HE1 TYR B 104 -2.282 -11.571 -4.488 1.00 0.00 H new ATOM 0 HE2 TYR B 104 -5.006 -9.145 -2.284 1.00 0.00 H new ATOM 0 HH TYR B 104 -5.130 -11.347 -2.343 1.00 0.00 H new ATOM 1662 N LEU B 105 -0.137 -4.827 -6.432 1.00 0.00 N ATOM 1663 CA LEU B 105 0.039 -3.464 -6.924 1.00 0.00 C ATOM 1664 C LEU B 105 0.031 -3.440 -8.448 1.00 0.00 C ATOM 1665 O LEU B 105 -0.339 -2.441 -9.060 1.00 0.00 O ATOM 1666 CB LEU B 105 1.335 -2.829 -6.401 1.00 0.00 C ATOM 1667 CG LEU B 105 1.320 -2.358 -4.937 1.00 0.00 C ATOM 1668 CD1 LEU B 105 0.084 -1.521 -4.651 1.00 0.00 C ATOM 1669 CD2 LEU B 105 1.399 -3.535 -3.979 1.00 0.00 C ATOM 0 H LEU B 105 0.659 -5.200 -5.915 1.00 0.00 H new ATOM 0 HA LEU B 105 -0.799 -2.876 -6.549 1.00 0.00 H new ATOM 0 HB2 LEU B 105 2.142 -3.552 -6.520 1.00 0.00 H new ATOM 0 HB3 LEU B 105 1.577 -1.974 -7.033 1.00 0.00 H new ATOM 0 HG LEU B 105 2.201 -1.736 -4.781 1.00 0.00 H new ATOM 0 HD11 LEU B 105 0.095 -1.199 -3.610 1.00 0.00 H new ATOM 0 HD12 LEU B 105 0.079 -0.646 -5.301 1.00 0.00 H new ATOM 0 HD13 LEU B 105 -0.810 -2.117 -4.837 1.00 0.00 H new ATOM 0 HD21 LEU B 105 1.386 -3.170 -2.952 1.00 0.00 H new ATOM 0 HD22 LEU B 105 0.545 -4.193 -4.140 1.00 0.00 H new ATOM 0 HD23 LEU B 105 2.322 -4.087 -4.156 1.00 0.00 H new ATOM 1681 N ASN B 106 0.424 -4.552 -9.056 1.00 0.00 N ATOM 1682 CA ASN B 106 0.405 -4.675 -10.509 1.00 0.00 C ATOM 1683 C ASN B 106 -1.020 -4.744 -11.037 1.00 0.00 C ATOM 1684 O ASN B 106 -1.318 -4.225 -12.111 1.00 0.00 O ATOM 1685 CB ASN B 106 1.195 -5.900 -10.968 1.00 0.00 C ATOM 1686 CG ASN B 106 2.650 -5.578 -11.236 1.00 0.00 C ATOM 1687 OD1 ASN B 106 3.024 -5.238 -12.356 1.00 0.00 O ATOM 1688 ND2 ASN B 106 3.479 -5.673 -10.215 1.00 0.00 N ATOM 0 H ASN B 106 0.760 -5.381 -8.566 1.00 0.00 H new ATOM 0 HA ASN B 106 0.881 -3.783 -10.917 1.00 0.00 H new ATOM 0 HB2 ASN B 106 1.131 -6.677 -10.206 1.00 0.00 H new ATOM 0 HB3 ASN B 106 0.742 -6.304 -11.873 1.00 0.00 H new ATOM 0 HD21 ASN B 106 4.469 -5.461 -10.340 1.00 0.00 H new ATOM 0 HD22 ASN B 106 3.130 -5.959 -9.300 1.00 0.00 H new ATOM 1695 N THR B 107 -1.908 -5.373 -10.279 1.00 0.00 N ATOM 1696 CA THR B 107 -3.305 -5.443 -10.675 1.00 0.00 C ATOM 1697 C THR B 107 -4.019 -4.128 -10.368 1.00 0.00 C ATOM 1698 O THR B 107 -5.102 -3.857 -10.895 1.00 0.00 O ATOM 1699 CB THR B 107 -4.043 -6.610 -9.990 1.00 0.00 C ATOM 1700 OG1 THR B 107 -4.012 -6.466 -8.562 1.00 0.00 O ATOM 1701 CG2 THR B 107 -3.424 -7.944 -10.376 1.00 0.00 C ATOM 0 H THR B 107 -1.688 -5.836 -9.397 1.00 0.00 H new ATOM 0 HA THR B 107 -3.322 -5.621 -11.750 1.00 0.00 H new ATOM 0 HB THR B 107 -5.079 -6.587 -10.328 1.00 0.00 H new ATOM 0 HG1 THR B 107 -3.418 -5.725 -8.321 1.00 0.00 H new ATOM 0 HG21 THR B 107 -3.962 -8.752 -9.880 1.00 0.00 H new ATOM 0 HG22 THR B 107 -3.487 -8.075 -11.456 1.00 0.00 H new ATOM 0 HG23 THR B 107 -2.378 -7.962 -10.069 1.00 0.00 H new ATOM 1709 N LEU B 108 -3.393 -3.313 -9.520 1.00 0.00 N ATOM 1710 CA LEU B 108 -3.925 -2.001 -9.175 1.00 0.00 C ATOM 1711 C LEU B 108 -3.235 -0.925 -10.000 1.00 0.00 C ATOM 1712 O LEU B 108 -3.487 0.268 -9.830 1.00 0.00 O ATOM 1713 CB LEU B 108 -3.727 -1.700 -7.689 1.00 0.00 C ATOM 1714 CG LEU B 108 -4.246 -2.765 -6.727 1.00 0.00 C ATOM 1715 CD1 LEU B 108 -3.956 -2.374 -5.287 1.00 0.00 C ATOM 1716 CD2 LEU B 108 -5.736 -2.998 -6.932 1.00 0.00 C ATOM 0 H LEU B 108 -2.513 -3.542 -9.059 1.00 0.00 H new ATOM 0 HA LEU B 108 -4.993 -2.005 -9.392 1.00 0.00 H new ATOM 0 HB2 LEU B 108 -2.662 -1.556 -7.504 1.00 0.00 H new ATOM 0 HB3 LEU B 108 -4.221 -0.756 -7.459 1.00 0.00 H new ATOM 0 HG LEU B 108 -3.724 -3.698 -6.939 1.00 0.00 H new ATOM 0 HD11 LEU B 108 -4.334 -3.146 -4.617 1.00 0.00 H new ATOM 0 HD12 LEU B 108 -2.880 -2.268 -5.148 1.00 0.00 H new ATOM 0 HD13 LEU B 108 -4.446 -1.427 -5.062 1.00 0.00 H new ATOM 0 HD21 LEU B 108 -6.084 -3.761 -6.236 1.00 0.00 H new ATOM 0 HD22 LEU B 108 -6.278 -2.069 -6.753 1.00 0.00 H new ATOM 0 HD23 LEU B 108 -5.915 -3.331 -7.954 1.00 0.00 H new ATOM 1728 N ARG B 109 -2.361 -1.363 -10.891 1.00 0.00 N ATOM 1729 CA ARG B 109 -1.611 -0.458 -11.741 1.00 0.00 C ATOM 1730 C ARG B 109 -2.509 0.063 -12.853 1.00 0.00 C ATOM 1731 O ARG B 109 -3.545 -0.537 -13.152 1.00 0.00 O ATOM 1732 CB ARG B 109 -0.402 -1.188 -12.334 1.00 0.00 C ATOM 1733 CG ARG B 109 0.880 -0.376 -12.295 1.00 0.00 C ATOM 1734 CD ARG B 109 1.312 -0.094 -10.866 1.00 0.00 C ATOM 1735 NE ARG B 109 2.401 0.877 -10.801 1.00 0.00 N ATOM 1736 CZ ARG B 109 2.212 2.193 -10.741 1.00 0.00 C ATOM 1737 NH1 ARG B 109 0.985 2.692 -10.844 1.00 0.00 N1+ ATOM 1738 NH2 ARG B 109 3.246 3.009 -10.592 1.00 0.00 N ATOM 0 H ARG B 109 -2.153 -2.350 -11.044 1.00 0.00 H new ATOM 0 HA ARG B 109 -1.257 0.386 -11.149 1.00 0.00 H new ATOM 0 HB2 ARG B 109 -0.248 -2.120 -11.790 1.00 0.00 H new ATOM 0 HB3 ARG B 109 -0.621 -1.455 -13.368 1.00 0.00 H new ATOM 0 HG2 ARG B 109 1.671 -0.916 -12.816 1.00 0.00 H new ATOM 0 HG3 ARG B 109 0.733 0.565 -12.825 1.00 0.00 H new ATOM 0 HD2 ARG B 109 0.460 0.279 -10.298 1.00 0.00 H new ATOM 0 HD3 ARG B 109 1.628 -1.024 -10.393 1.00 0.00 H new ATOM 0 HE ARG B 109 3.359 0.527 -10.802 1.00 0.00 H new ATOM 0 HH11 ARG B 109 0.189 2.067 -10.969 1.00 0.00 H new ATOM 0 HH12 ARG B 109 0.839 3.700 -10.798 1.00 0.00 H new ATOM 0 HH21 ARG B 109 4.190 2.629 -10.523 1.00 0.00 H new ATOM 0 HH22 ARG B 109 3.098 4.017 -10.546 1.00 0.00 H new ATOM 1752 N TYR B 110 -2.123 1.179 -13.455 1.00 0.00 N ATOM 1753 CA TYR B 110 -2.909 1.770 -14.523 1.00 0.00 C ATOM 1754 C TYR B 110 -2.941 0.820 -15.715 1.00 0.00 C ATOM 1755 O TYR B 110 -1.918 0.574 -16.355 1.00 0.00 O ATOM 1756 CB TYR B 110 -2.319 3.124 -14.925 1.00 0.00 C ATOM 1757 CG TYR B 110 -3.224 3.963 -15.799 1.00 0.00 C ATOM 1758 CD1 TYR B 110 -4.176 4.804 -15.236 1.00 0.00 C ATOM 1759 CD2 TYR B 110 -3.120 3.923 -17.182 1.00 0.00 C ATOM 1760 CE1 TYR B 110 -4.998 5.580 -16.030 1.00 0.00 C ATOM 1761 CE2 TYR B 110 -3.939 4.695 -17.980 1.00 0.00 C ATOM 1762 CZ TYR B 110 -4.876 5.522 -17.400 1.00 0.00 C ATOM 1763 OH TYR B 110 -5.696 6.292 -18.194 1.00 0.00 O ATOM 0 H TYR B 110 -1.272 1.691 -13.221 1.00 0.00 H new ATOM 0 HA TYR B 110 -3.929 1.934 -14.175 1.00 0.00 H new ATOM 0 HB2 TYR B 110 -2.082 3.686 -14.022 1.00 0.00 H new ATOM 0 HB3 TYR B 110 -1.379 2.956 -15.451 1.00 0.00 H new ATOM 0 HD1 TYR B 110 -4.275 4.852 -14.162 1.00 0.00 H new ATOM 0 HD2 TYR B 110 -2.386 3.277 -17.641 1.00 0.00 H new ATOM 0 HE1 TYR B 110 -5.733 6.229 -15.578 1.00 0.00 H new ATOM 0 HE2 TYR B 110 -3.846 4.651 -19.055 1.00 0.00 H new ATOM 0 HH TYR B 110 -5.480 6.135 -19.137 1.00 0.00 H new ATOM 1773 N GLY B 111 -4.113 0.267 -15.984 1.00 0.00 N ATOM 1774 CA GLY B 111 -4.243 -0.716 -17.038 1.00 0.00 C ATOM 1775 C GLY B 111 -4.328 -2.127 -16.492 1.00 0.00 C ATOM 1776 O GLY B 111 -4.257 -3.097 -17.246 1.00 0.00 O ATOM 0 H GLY B 111 -4.979 0.482 -15.490 1.00 0.00 H new ATOM 0 HA2 GLY B 111 -5.135 -0.501 -17.626 1.00 0.00 H new ATOM 0 HA3 GLY B 111 -3.390 -0.639 -17.712 1.00 0.00 H new ATOM 1780 N GLY B 112 -4.468 -2.236 -15.172 1.00 0.00 N ATOM 1781 CA GLY B 112 -4.634 -3.529 -14.536 1.00 0.00 C ATOM 1782 C GLY B 112 -6.030 -4.079 -14.729 1.00 0.00 C ATOM 1783 O GLY B 112 -6.627 -3.923 -15.794 1.00 0.00 O ATOM 0 H GLY B 112 -4.469 -1.444 -14.529 1.00 0.00 H new ATOM 0 HA2 GLY B 112 -3.908 -4.231 -14.946 1.00 0.00 H new ATOM 0 HA3 GLY B 112 -4.424 -3.439 -13.470 1.00 0.00 H new ATOM 1787 N ILE B 113 -6.566 -4.707 -13.700 1.00 0.00 N ATOM 1788 CA ILE B 113 -7.889 -5.302 -13.794 1.00 0.00 C ATOM 1789 C ILE B 113 -8.888 -4.594 -12.892 1.00 0.00 C ATOM 1790 O ILE B 113 -10.017 -4.322 -13.296 1.00 0.00 O ATOM 1791 CB ILE B 113 -7.859 -6.806 -13.459 1.00 0.00 C ATOM 1792 CG1 ILE B 113 -7.084 -7.057 -12.160 1.00 0.00 C ATOM 1793 CG2 ILE B 113 -7.248 -7.576 -14.616 1.00 0.00 C ATOM 1794 CD1 ILE B 113 -7.059 -8.507 -11.732 1.00 0.00 C ATOM 0 H ILE B 113 -6.111 -4.819 -12.794 1.00 0.00 H new ATOM 0 HA ILE B 113 -8.211 -5.183 -14.828 1.00 0.00 H new ATOM 0 HB ILE B 113 -8.880 -7.156 -13.307 1.00 0.00 H new ATOM 0 HG12 ILE B 113 -6.059 -6.708 -12.287 1.00 0.00 H new ATOM 0 HG13 ILE B 113 -7.528 -6.461 -11.363 1.00 0.00 H new ATOM 0 HG21 ILE B 113 -7.228 -8.639 -14.376 1.00 0.00 H new ATOM 0 HG22 ILE B 113 -7.845 -7.418 -15.514 1.00 0.00 H new ATOM 0 HG23 ILE B 113 -6.231 -7.225 -14.790 1.00 0.00 H new ATOM 0 HD11 ILE B 113 -6.492 -8.603 -10.806 1.00 0.00 H new ATOM 0 HD12 ILE B 113 -8.079 -8.857 -11.572 1.00 0.00 H new ATOM 0 HD13 ILE B 113 -6.588 -9.108 -12.510 1.00 0.00 H new ATOM 1806 N HIS B 114 -8.475 -4.296 -11.671 1.00 0.00 N ATOM 1807 CA HIS B 114 -9.352 -3.643 -10.710 1.00 0.00 C ATOM 1808 C HIS B 114 -8.627 -2.472 -10.073 1.00 0.00 C ATOM 1809 O HIS B 114 -8.656 -2.296 -8.856 1.00 0.00 O ATOM 1810 CB HIS B 114 -9.796 -4.628 -9.622 1.00 0.00 C ATOM 1811 CG HIS B 114 -10.390 -5.895 -10.153 1.00 0.00 C ATOM 1812 ND1 HIS B 114 -9.910 -7.141 -9.820 1.00 0.00 N ATOM 1813 CD2 HIS B 114 -11.419 -6.107 -11.007 1.00 0.00 C ATOM 1814 CE1 HIS B 114 -10.612 -8.063 -10.448 1.00 0.00 C ATOM 1815 NE2 HIS B 114 -11.535 -7.462 -11.172 1.00 0.00 N ATOM 0 H HIS B 114 -7.538 -4.495 -11.321 1.00 0.00 H new ATOM 0 HA HIS B 114 -10.238 -3.285 -11.235 1.00 0.00 H new ATOM 0 HB2 HIS B 114 -8.937 -4.875 -8.998 1.00 0.00 H new ATOM 0 HB3 HIS B 114 -10.527 -4.138 -8.979 1.00 0.00 H new ATOM 0 HD2 HIS B 114 -12.033 -5.350 -11.471 1.00 0.00 H new ATOM 0 HE1 HIS B 114 -10.457 -9.130 -10.381 1.00 0.00 H new ATOM 0 HE2 HIS B 114 -12.224 -7.930 -11.760 1.00 0.00 H new ATOM 1824 N TYR B 115 -7.974 -1.676 -10.904 1.00 0.00 N ATOM 1825 CA TYR B 115 -7.139 -0.599 -10.409 1.00 0.00 C ATOM 1826 C TYR B 115 -7.984 0.544 -9.861 1.00 0.00 C ATOM 1827 O TYR B 115 -9.089 0.813 -10.342 1.00 0.00 O ATOM 1828 CB TYR B 115 -6.185 -0.101 -11.506 1.00 0.00 C ATOM 1829 CG TYR B 115 -6.729 1.016 -12.367 1.00 0.00 C ATOM 1830 CD1 TYR B 115 -6.531 2.342 -12.005 1.00 0.00 C ATOM 1831 CD2 TYR B 115 -7.430 0.752 -13.535 1.00 0.00 C ATOM 1832 CE1 TYR B 115 -7.017 3.372 -12.776 1.00 0.00 C ATOM 1833 CE2 TYR B 115 -7.920 1.780 -14.317 1.00 0.00 C ATOM 1834 CZ TYR B 115 -7.711 3.091 -13.933 1.00 0.00 C ATOM 1835 OH TYR B 115 -8.198 4.125 -14.702 1.00 0.00 O ATOM 0 H TYR B 115 -8.007 -1.756 -11.920 1.00 0.00 H new ATOM 0 HA TYR B 115 -6.538 -0.990 -9.588 1.00 0.00 H new ATOM 0 HB2 TYR B 115 -5.262 0.239 -11.037 1.00 0.00 H new ATOM 0 HB3 TYR B 115 -5.925 -0.942 -12.149 1.00 0.00 H new ATOM 0 HD1 TYR B 115 -5.985 2.569 -11.101 1.00 0.00 H new ATOM 0 HD2 TYR B 115 -7.595 -0.272 -13.837 1.00 0.00 H new ATOM 0 HE1 TYR B 115 -6.855 4.397 -12.476 1.00 0.00 H new ATOM 0 HE2 TYR B 115 -8.464 1.560 -15.224 1.00 0.00 H new ATOM 0 HH TYR B 115 -8.662 3.760 -15.484 1.00 0.00 H new ATOM 1845 N ASN B 116 -7.460 1.196 -8.839 1.00 0.00 N ATOM 1846 CA ASN B 116 -8.096 2.365 -8.259 1.00 0.00 C ATOM 1847 C ASN B 116 -7.244 3.582 -8.565 1.00 0.00 C ATOM 1848 O ASN B 116 -6.015 3.519 -8.503 1.00 0.00 O ATOM 1849 CB ASN B 116 -8.242 2.209 -6.744 1.00 0.00 C ATOM 1850 CG ASN B 116 -9.047 0.988 -6.332 1.00 0.00 C ATOM 1851 OD1 ASN B 116 -10.037 0.619 -7.131 1.00 0.00 O flip ATOM 1852 ND2 ASN B 116 -8.784 0.389 -5.289 1.00 0.00 N flip ATOM 0 H ASN B 116 -6.584 0.931 -8.389 1.00 0.00 H new ATOM 0 HA ASN B 116 -9.092 2.480 -8.687 1.00 0.00 H new ATOM 0 HB2 ASN B 116 -7.250 2.148 -6.296 1.00 0.00 H new ATOM 0 HB3 ASN B 116 -8.719 3.102 -6.340 1.00 0.00 H new ATOM 0 HD21 ASN B 116 -8.013 0.704 -4.700 1.00 0.00 H new ATOM 0 HD22 ASN B 116 -9.337 -0.423 -5.014 1.00 0.00 H new ATOM 1859 N GLU B 117 -7.899 4.688 -8.893 1.00 0.00 N ATOM 1860 CA GLU B 117 -7.202 5.892 -9.325 1.00 0.00 C ATOM 1861 C GLU B 117 -6.346 6.467 -8.200 1.00 0.00 C ATOM 1862 O GLU B 117 -5.296 7.053 -8.451 1.00 0.00 O ATOM 1863 CB GLU B 117 -8.195 6.947 -9.811 1.00 0.00 C ATOM 1864 CG GLU B 117 -9.099 7.479 -8.714 1.00 0.00 C ATOM 1865 CD GLU B 117 -9.879 8.699 -9.138 1.00 0.00 C ATOM 1866 OE1 GLU B 117 -9.258 9.759 -9.354 1.00 0.00 O ATOM 1867 OE2 GLU B 117 -11.117 8.610 -9.239 1.00 0.00 O1- ATOM 0 H GLU B 117 -8.915 4.776 -8.868 1.00 0.00 H new ATOM 0 HA GLU B 117 -6.547 5.614 -10.151 1.00 0.00 H new ATOM 0 HB2 GLU B 117 -7.644 7.778 -10.251 1.00 0.00 H new ATOM 0 HB3 GLU B 117 -8.810 6.518 -10.602 1.00 0.00 H new ATOM 0 HG2 GLU B 117 -9.794 6.696 -8.411 1.00 0.00 H new ATOM 0 HG3 GLU B 117 -8.496 7.725 -7.840 1.00 0.00 H new ATOM 1874 N ALA B 118 -6.794 6.291 -6.961 1.00 0.00 N ATOM 1875 CA ALA B 118 -6.061 6.806 -5.818 1.00 0.00 C ATOM 1876 C ALA B 118 -4.866 5.920 -5.510 1.00 0.00 C ATOM 1877 O ALA B 118 -3.865 6.389 -4.988 1.00 0.00 O ATOM 1878 CB ALA B 118 -6.966 6.932 -4.607 1.00 0.00 C ATOM 0 H ALA B 118 -7.656 5.798 -6.727 1.00 0.00 H new ATOM 0 HA ALA B 118 -5.694 7.802 -6.067 1.00 0.00 H new ATOM 0 HB1 ALA B 118 -6.394 7.320 -3.764 1.00 0.00 H new ATOM 0 HB2 ALA B 118 -7.785 7.614 -4.834 1.00 0.00 H new ATOM 0 HB3 ALA B 118 -7.370 5.953 -4.351 1.00 0.00 H new ATOM 1884 N ILE B 119 -4.976 4.635 -5.839 1.00 0.00 N ATOM 1885 CA ILE B 119 -3.854 3.711 -5.700 1.00 0.00 C ATOM 1886 C ILE B 119 -2.741 4.099 -6.665 1.00 0.00 C ATOM 1887 O ILE B 119 -1.560 4.089 -6.312 1.00 0.00 O ATOM 1888 CB ILE B 119 -4.278 2.248 -5.973 1.00 0.00 C ATOM 1889 CG1 ILE B 119 -5.314 1.790 -4.944 1.00 0.00 C ATOM 1890 CG2 ILE B 119 -3.066 1.319 -5.958 1.00 0.00 C ATOM 1891 CD1 ILE B 119 -4.770 1.669 -3.541 1.00 0.00 C ATOM 0 H ILE B 119 -5.829 4.211 -6.203 1.00 0.00 H new ATOM 0 HA ILE B 119 -3.500 3.777 -4.671 1.00 0.00 H new ATOM 0 HB ILE B 119 -4.729 2.204 -6.964 1.00 0.00 H new ATOM 0 HG12 ILE B 119 -6.145 2.495 -4.941 1.00 0.00 H new ATOM 0 HG13 ILE B 119 -5.716 0.825 -5.252 1.00 0.00 H new ATOM 0 HG21 ILE B 119 -3.389 0.296 -6.152 1.00 0.00 H new ATOM 0 HG22 ILE B 119 -2.360 1.629 -6.729 1.00 0.00 H new ATOM 0 HG23 ILE B 119 -2.582 1.368 -4.982 1.00 0.00 H new ATOM 0 HD11 ILE B 119 -5.564 1.340 -2.870 1.00 0.00 H new ATOM 0 HD12 ILE B 119 -3.958 0.942 -3.527 1.00 0.00 H new ATOM 0 HD13 ILE B 119 -4.395 2.638 -3.211 1.00 0.00 H new ATOM 1903 N GLU B 120 -3.135 4.457 -7.882 1.00 0.00 N ATOM 1904 CA GLU B 120 -2.193 4.899 -8.897 1.00 0.00 C ATOM 1905 C GLU B 120 -1.448 6.135 -8.400 1.00 0.00 C ATOM 1906 O GLU B 120 -0.220 6.158 -8.348 1.00 0.00 O ATOM 1907 CB GLU B 120 -2.936 5.212 -10.202 1.00 0.00 C ATOM 1908 CG GLU B 120 -2.132 4.930 -11.466 1.00 0.00 C ATOM 1909 CD GLU B 120 -0.859 5.740 -11.564 1.00 0.00 C ATOM 1910 OE1 GLU B 120 -0.926 6.920 -11.971 1.00 0.00 O1- ATOM 1911 OE2 GLU B 120 0.217 5.194 -11.248 1.00 0.00 O ATOM 0 H GLU B 120 -4.108 4.449 -8.189 1.00 0.00 H new ATOM 0 HA GLU B 120 -1.472 4.105 -9.091 1.00 0.00 H new ATOM 0 HB2 GLU B 120 -3.855 4.627 -10.232 1.00 0.00 H new ATOM 0 HB3 GLU B 120 -3.227 6.262 -10.198 1.00 0.00 H new ATOM 0 HG2 GLU B 120 -1.882 3.870 -11.499 1.00 0.00 H new ATOM 0 HG3 GLU B 120 -2.754 5.138 -12.337 1.00 0.00 H new ATOM 1918 N GLU B 121 -2.197 7.150 -7.998 1.00 0.00 N ATOM 1919 CA GLU B 121 -1.599 8.378 -7.497 1.00 0.00 C ATOM 1920 C GLU B 121 -0.834 8.122 -6.200 1.00 0.00 C ATOM 1921 O GLU B 121 0.166 8.781 -5.926 1.00 0.00 O ATOM 1922 CB GLU B 121 -2.676 9.447 -7.299 1.00 0.00 C ATOM 1923 CG GLU B 121 -3.419 9.769 -8.585 1.00 0.00 C ATOM 1924 CD GLU B 121 -4.469 10.845 -8.422 1.00 0.00 C ATOM 1925 OE1 GLU B 121 -5.465 10.616 -7.703 1.00 0.00 O1- ATOM 1926 OE2 GLU B 121 -4.320 11.919 -9.041 1.00 0.00 O ATOM 0 H GLU B 121 -3.217 7.148 -8.009 1.00 0.00 H new ATOM 0 HA GLU B 121 -0.884 8.742 -8.235 1.00 0.00 H new ATOM 0 HB2 GLU B 121 -3.388 9.106 -6.547 1.00 0.00 H new ATOM 0 HB3 GLU B 121 -2.215 10.356 -6.912 1.00 0.00 H new ATOM 0 HG2 GLU B 121 -2.700 10.085 -9.341 1.00 0.00 H new ATOM 0 HG3 GLU B 121 -3.895 8.862 -8.957 1.00 0.00 H new ATOM 1933 N PHE B 122 -1.297 7.144 -5.422 1.00 0.00 N ATOM 1934 CA PHE B 122 -0.638 6.763 -4.174 1.00 0.00 C ATOM 1935 C PHE B 122 0.802 6.355 -4.441 1.00 0.00 C ATOM 1936 O PHE B 122 1.732 6.955 -3.906 1.00 0.00 O ATOM 1937 CB PHE B 122 -1.395 5.612 -3.495 1.00 0.00 C ATOM 1938 CG PHE B 122 -0.839 5.202 -2.157 1.00 0.00 C ATOM 1939 CD1 PHE B 122 0.160 4.243 -2.069 1.00 0.00 C ATOM 1940 CD2 PHE B 122 -1.320 5.770 -0.987 1.00 0.00 C ATOM 1941 CE1 PHE B 122 0.667 3.860 -0.843 1.00 0.00 C ATOM 1942 CE2 PHE B 122 -0.816 5.391 0.242 1.00 0.00 C ATOM 1943 CZ PHE B 122 0.179 4.436 0.313 1.00 0.00 C ATOM 0 H PHE B 122 -2.132 6.598 -5.636 1.00 0.00 H new ATOM 0 HA PHE B 122 -0.642 7.624 -3.506 1.00 0.00 H new ATOM 0 HB2 PHE B 122 -2.437 5.905 -3.367 1.00 0.00 H new ATOM 0 HB3 PHE B 122 -1.386 4.747 -4.158 1.00 0.00 H new ATOM 0 HD1 PHE B 122 0.546 3.791 -2.971 1.00 0.00 H new ATOM 0 HD2 PHE B 122 -2.098 6.518 -1.037 1.00 0.00 H new ATOM 0 HE1 PHE B 122 1.444 3.111 -0.788 1.00 0.00 H new ATOM 0 HE2 PHE B 122 -1.199 5.841 1.146 1.00 0.00 H new ATOM 0 HZ PHE B 122 0.575 4.140 1.273 1.00 0.00 H new ATOM 1953 N CYS B 123 0.981 5.344 -5.280 1.00 0.00 N ATOM 1954 CA CYS B 123 2.313 4.860 -5.596 1.00 0.00 C ATOM 1955 C CYS B 123 3.147 5.950 -6.260 1.00 0.00 C ATOM 1956 O CYS B 123 4.312 6.117 -5.919 1.00 0.00 O ATOM 1957 CB CYS B 123 2.251 3.603 -6.469 1.00 0.00 C ATOM 1958 SG CYS B 123 1.186 3.728 -7.918 1.00 0.00 S ATOM 0 H CYS B 123 0.224 4.847 -5.750 1.00 0.00 H new ATOM 0 HA CYS B 123 2.801 4.590 -4.660 1.00 0.00 H new ATOM 0 HB2 CYS B 123 3.261 3.359 -6.800 1.00 0.00 H new ATOM 0 HB3 CYS B 123 1.907 2.770 -5.855 1.00 0.00 H new ATOM 0 HG CYS B 123 0.596 4.886 -7.924 1.00 0.00 H new ATOM 1964 N GLN B 124 2.537 6.717 -7.167 1.00 0.00 N ATOM 1965 CA GLN B 124 3.256 7.761 -7.899 1.00 0.00 C ATOM 1966 C GLN B 124 3.857 8.791 -6.945 1.00 0.00 C ATOM 1967 O GLN B 124 5.075 8.938 -6.872 1.00 0.00 O ATOM 1968 CB GLN B 124 2.331 8.470 -8.895 1.00 0.00 C ATOM 1969 CG GLN B 124 1.863 7.602 -10.055 1.00 0.00 C ATOM 1970 CD GLN B 124 3.007 7.024 -10.867 1.00 0.00 C ATOM 1971 OE1 GLN B 124 4.087 7.607 -10.954 1.00 0.00 O ATOM 1972 NE2 GLN B 124 2.764 5.891 -11.499 1.00 0.00 N ATOM 0 H GLN B 124 1.550 6.635 -7.411 1.00 0.00 H new ATOM 0 HA GLN B 124 4.063 7.273 -8.446 1.00 0.00 H new ATOM 0 HB2 GLN B 124 1.457 8.839 -8.359 1.00 0.00 H new ATOM 0 HB3 GLN B 124 2.850 9.340 -9.296 1.00 0.00 H new ATOM 0 HG2 GLN B 124 1.253 6.786 -9.667 1.00 0.00 H new ATOM 0 HG3 GLN B 124 1.224 8.195 -10.710 1.00 0.00 H new ATOM 0 HE21 GLN B 124 1.856 5.437 -11.402 1.00 0.00 H new ATOM 0 HE22 GLN B 124 3.485 5.469 -12.085 1.00 0.00 H new ATOM 1981 N ILE B 125 2.990 9.476 -6.206 1.00 0.00 N ATOM 1982 CA ILE B 125 3.402 10.523 -5.269 1.00 0.00 C ATOM 1983 C ILE B 125 4.428 9.998 -4.265 1.00 0.00 C ATOM 1984 O ILE B 125 5.422 10.659 -3.957 1.00 0.00 O ATOM 1985 CB ILE B 125 2.170 11.063 -4.503 1.00 0.00 C ATOM 1986 CG1 ILE B 125 1.200 11.730 -5.482 1.00 0.00 C ATOM 1987 CG2 ILE B 125 2.582 12.038 -3.404 1.00 0.00 C ATOM 1988 CD1 ILE B 125 -0.181 11.965 -4.909 1.00 0.00 C ATOM 0 H ILE B 125 1.982 9.323 -6.238 1.00 0.00 H new ATOM 0 HA ILE B 125 3.861 11.325 -5.847 1.00 0.00 H new ATOM 0 HB ILE B 125 1.669 10.222 -4.023 1.00 0.00 H new ATOM 0 HG12 ILE B 125 1.619 12.685 -5.800 1.00 0.00 H new ATOM 0 HG13 ILE B 125 1.113 11.108 -6.373 1.00 0.00 H new ATOM 0 HG21 ILE B 125 1.694 12.398 -2.886 1.00 0.00 H new ATOM 0 HG22 ILE B 125 3.236 11.531 -2.694 1.00 0.00 H new ATOM 0 HG23 ILE B 125 3.112 12.882 -3.846 1.00 0.00 H new ATOM 0 HD11 ILE B 125 -0.811 12.440 -5.661 1.00 0.00 H new ATOM 0 HD12 ILE B 125 -0.621 11.011 -4.617 1.00 0.00 H new ATOM 0 HD13 ILE B 125 -0.107 12.613 -4.035 1.00 0.00 H new ATOM 2000 N LEU B 126 4.180 8.795 -3.782 1.00 0.00 N ATOM 2001 CA LEU B 126 5.004 8.185 -2.755 1.00 0.00 C ATOM 2002 C LEU B 126 6.374 7.784 -3.302 1.00 0.00 C ATOM 2003 O LEU B 126 7.408 8.259 -2.823 1.00 0.00 O ATOM 2004 CB LEU B 126 4.253 6.973 -2.199 1.00 0.00 C ATOM 2005 CG LEU B 126 4.857 6.270 -0.990 1.00 0.00 C ATOM 2006 CD1 LEU B 126 5.612 5.030 -1.409 1.00 0.00 C ATOM 2007 CD2 LEU B 126 5.741 7.207 -0.180 1.00 0.00 C ATOM 0 H LEU B 126 3.401 8.213 -4.091 1.00 0.00 H new ATOM 0 HA LEU B 126 5.188 8.905 -1.958 1.00 0.00 H new ATOM 0 HB2 LEU B 126 3.245 7.293 -1.934 1.00 0.00 H new ATOM 0 HB3 LEU B 126 4.154 6.241 -3.000 1.00 0.00 H new ATOM 0 HG LEU B 126 4.036 5.962 -0.343 1.00 0.00 H new ATOM 0 HD11 LEU B 126 6.034 4.546 -0.528 1.00 0.00 H new ATOM 0 HD12 LEU B 126 4.932 4.342 -1.910 1.00 0.00 H new ATOM 0 HD13 LEU B 126 6.416 5.307 -2.091 1.00 0.00 H new ATOM 0 HD21 LEU B 126 6.154 6.670 0.674 1.00 0.00 H new ATOM 0 HD22 LEU B 126 6.555 7.572 -0.807 1.00 0.00 H new ATOM 0 HD23 LEU B 126 5.149 8.051 0.174 1.00 0.00 H new ATOM 2019 N LEU B 127 6.372 6.920 -4.308 1.00 0.00 N ATOM 2020 CA LEU B 127 7.616 6.409 -4.889 1.00 0.00 C ATOM 2021 C LEU B 127 8.473 7.561 -5.404 1.00 0.00 C ATOM 2022 O LEU B 127 9.703 7.488 -5.388 1.00 0.00 O ATOM 2023 CB LEU B 127 7.331 5.401 -6.028 1.00 0.00 C ATOM 2024 CG LEU B 127 7.010 6.001 -7.411 1.00 0.00 C ATOM 2025 CD1 LEU B 127 8.284 6.255 -8.210 1.00 0.00 C ATOM 2026 CD2 LEU B 127 6.078 5.088 -8.196 1.00 0.00 C ATOM 0 H LEU B 127 5.524 6.555 -4.742 1.00 0.00 H new ATOM 0 HA LEU B 127 8.162 5.885 -4.105 1.00 0.00 H new ATOM 0 HB2 LEU B 127 8.198 4.749 -6.132 1.00 0.00 H new ATOM 0 HB3 LEU B 127 6.494 4.772 -5.726 1.00 0.00 H new ATOM 0 HG LEU B 127 6.509 6.955 -7.246 1.00 0.00 H new ATOM 0 HD11 LEU B 127 8.026 6.678 -9.181 1.00 0.00 H new ATOM 0 HD12 LEU B 127 8.921 6.953 -7.667 1.00 0.00 H new ATOM 0 HD13 LEU B 127 8.817 5.315 -8.354 1.00 0.00 H new ATOM 0 HD21 LEU B 127 5.866 5.533 -9.168 1.00 0.00 H new ATOM 0 HD22 LEU B 127 6.553 4.117 -8.337 1.00 0.00 H new ATOM 0 HD23 LEU B 127 5.146 4.959 -7.645 1.00 0.00 H new ATOM 2038 N ASP B 128 7.805 8.616 -5.857 1.00 0.00 N ATOM 2039 CA ASP B 128 8.467 9.792 -6.410 1.00 0.00 C ATOM 2040 C ASP B 128 9.466 10.367 -5.423 1.00 0.00 C ATOM 2041 O ASP B 128 10.624 10.614 -5.759 1.00 0.00 O ATOM 2042 CB ASP B 128 7.423 10.853 -6.745 1.00 0.00 C ATOM 2043 CG ASP B 128 7.996 12.029 -7.515 1.00 0.00 C ATOM 2044 OD1 ASP B 128 8.051 11.963 -8.762 1.00 0.00 O ATOM 2045 OD2 ASP B 128 8.378 13.036 -6.882 1.00 0.00 O1- ATOM 0 H ASP B 128 6.787 8.680 -5.851 1.00 0.00 H new ATOM 0 HA ASP B 128 9.001 9.494 -7.312 1.00 0.00 H new ATOM 0 HB2 ASP B 128 6.625 10.397 -7.331 1.00 0.00 H new ATOM 0 HB3 ASP B 128 6.973 11.216 -5.821 1.00 0.00 H new ATOM 2050 N LYS B 129 9.013 10.551 -4.195 1.00 0.00 N ATOM 2051 CA LYS B 129 9.832 11.166 -3.166 1.00 0.00 C ATOM 2052 C LYS B 129 10.840 10.165 -2.614 1.00 0.00 C ATOM 2053 O LYS B 129 11.929 10.542 -2.182 1.00 0.00 O ATOM 2054 CB LYS B 129 8.950 11.716 -2.044 1.00 0.00 C ATOM 2055 CG LYS B 129 7.808 12.593 -2.535 1.00 0.00 C ATOM 2056 CD LYS B 129 8.279 13.609 -3.563 1.00 0.00 C ATOM 2057 CE LYS B 129 7.110 14.368 -4.164 1.00 0.00 C ATOM 2058 NZ LYS B 129 7.492 15.082 -5.407 1.00 0.00 N1+ ATOM 0 H LYS B 129 8.079 10.282 -3.886 1.00 0.00 H new ATOM 0 HA LYS B 129 10.383 11.995 -3.611 1.00 0.00 H new ATOM 0 HB2 LYS B 129 8.537 10.882 -1.477 1.00 0.00 H new ATOM 0 HB3 LYS B 129 9.569 12.293 -1.357 1.00 0.00 H new ATOM 0 HG2 LYS B 129 7.031 11.967 -2.973 1.00 0.00 H new ATOM 0 HG3 LYS B 129 7.359 13.113 -1.689 1.00 0.00 H new ATOM 0 HD2 LYS B 129 8.969 14.311 -3.094 1.00 0.00 H new ATOM 0 HD3 LYS B 129 8.830 13.100 -4.354 1.00 0.00 H new ATOM 0 HE2 LYS B 129 6.299 13.673 -4.380 1.00 0.00 H new ATOM 0 HE3 LYS B 129 6.730 15.085 -3.436 1.00 0.00 H new ATOM 0 HZ1 LYS B 129 6.635 15.342 -5.936 1.00 0.00 H new ATOM 0 HZ2 LYS B 129 8.023 15.943 -5.164 1.00 0.00 H new ATOM 0 HZ3 LYS B 129 8.087 14.463 -5.994 1.00 0.00 H new ATOM 2072 N LEU B 130 10.478 8.887 -2.649 1.00 0.00 N ATOM 2073 CA LEU B 130 11.385 7.821 -2.225 1.00 0.00 C ATOM 2074 C LEU B 130 12.533 7.652 -3.219 1.00 0.00 C ATOM 2075 O LEU B 130 13.604 7.164 -2.866 1.00 0.00 O ATOM 2076 CB LEU B 130 10.627 6.503 -2.058 1.00 0.00 C ATOM 2077 CG LEU B 130 9.599 6.491 -0.924 1.00 0.00 C ATOM 2078 CD1 LEU B 130 8.867 5.165 -0.876 1.00 0.00 C ATOM 2079 CD2 LEU B 130 10.273 6.759 0.411 1.00 0.00 C ATOM 0 H LEU B 130 9.565 8.562 -2.966 1.00 0.00 H new ATOM 0 HA LEU B 130 11.808 8.103 -1.261 1.00 0.00 H new ATOM 0 HB2 LEU B 130 10.117 6.273 -2.994 1.00 0.00 H new ATOM 0 HB3 LEU B 130 11.349 5.705 -1.883 1.00 0.00 H new ATOM 0 HG LEU B 130 8.875 7.282 -1.118 1.00 0.00 H new ATOM 0 HD11 LEU B 130 8.142 5.179 -0.063 1.00 0.00 H new ATOM 0 HD12 LEU B 130 8.349 5.001 -1.821 1.00 0.00 H new ATOM 0 HD13 LEU B 130 9.583 4.360 -0.710 1.00 0.00 H new ATOM 0 HD21 LEU B 130 9.526 6.747 1.205 1.00 0.00 H new ATOM 0 HD22 LEU B 130 11.019 5.988 0.603 1.00 0.00 H new ATOM 0 HD23 LEU B 130 10.758 7.735 0.384 1.00 0.00 H new ATOM 2091 N ASN B 131 12.309 8.055 -4.462 1.00 0.00 N ATOM 2092 CA ASN B 131 13.361 8.025 -5.473 1.00 0.00 C ATOM 2093 C ASN B 131 14.040 9.380 -5.593 1.00 0.00 C ATOM 2094 O ASN B 131 15.064 9.515 -6.259 1.00 0.00 O ATOM 2095 CB ASN B 131 12.806 7.600 -6.833 1.00 0.00 C ATOM 2096 CG ASN B 131 12.602 6.100 -6.937 1.00 0.00 C ATOM 2097 OD1 ASN B 131 13.516 5.364 -7.307 1.00 0.00 O ATOM 2098 ND2 ASN B 131 11.405 5.636 -6.618 1.00 0.00 N ATOM 0 H ASN B 131 11.411 8.406 -4.796 1.00 0.00 H new ATOM 0 HA ASN B 131 14.100 7.290 -5.154 1.00 0.00 H new ATOM 0 HB2 ASN B 131 11.856 8.105 -7.008 1.00 0.00 H new ATOM 0 HB3 ASN B 131 13.489 7.925 -7.618 1.00 0.00 H new ATOM 0 HD21 ASN B 131 11.214 4.636 -6.675 1.00 0.00 H new ATOM 0 HD22 ASN B 131 10.673 6.279 -6.315 1.00 0.00 H new ATOM 2105 N ALA B 132 13.478 10.377 -4.923 1.00 0.00 N ATOM 2106 CA ALA B 132 14.014 11.735 -4.971 1.00 0.00 C ATOM 2107 C ALA B 132 15.208 11.888 -4.044 1.00 0.00 C ATOM 2108 O ALA B 132 15.873 12.923 -4.027 1.00 0.00 O ATOM 2109 CB ALA B 132 12.935 12.745 -4.612 1.00 0.00 C ATOM 0 H ALA B 132 12.649 10.273 -4.338 1.00 0.00 H new ATOM 0 HA ALA B 132 14.351 11.926 -5.990 1.00 0.00 H new ATOM 0 HB1 ALA B 132 13.351 13.752 -4.653 1.00 0.00 H new ATOM 0 HB2 ALA B 132 12.111 12.664 -5.321 1.00 0.00 H new ATOM 0 HB3 ALA B 132 12.569 12.544 -3.605 1.00 0.00 H new ATOM 2115 N VAL B 133 15.469 10.851 -3.276 1.00 0.00 N ATOM 2116 CA VAL B 133 16.575 10.852 -2.335 1.00 0.00 C ATOM 2117 C VAL B 133 17.712 9.966 -2.845 1.00 0.00 C ATOM 2118 O VAL B 133 18.858 10.065 -2.405 1.00 0.00 O ATOM 2119 CB VAL B 133 16.105 10.371 -0.944 1.00 0.00 C ATOM 2120 CG1 VAL B 133 15.469 8.996 -1.037 1.00 0.00 C ATOM 2121 CG2 VAL B 133 17.255 10.362 0.045 1.00 0.00 C ATOM 0 H VAL B 133 14.926 9.988 -3.284 1.00 0.00 H new ATOM 0 HA VAL B 133 16.944 11.873 -2.242 1.00 0.00 H new ATOM 0 HB VAL B 133 15.353 11.073 -0.582 1.00 0.00 H new ATOM 0 HG11 VAL B 133 15.145 8.677 -0.046 1.00 0.00 H new ATOM 0 HG12 VAL B 133 14.608 9.038 -1.704 1.00 0.00 H new ATOM 0 HG13 VAL B 133 16.196 8.284 -1.428 1.00 0.00 H new ATOM 0 HG21 VAL B 133 16.897 10.020 1.016 1.00 0.00 H new ATOM 0 HG22 VAL B 133 18.036 9.690 -0.311 1.00 0.00 H new ATOM 0 HG23 VAL B 133 17.659 11.370 0.142 1.00 0.00 H new ATOM 2131 N LYS B 134 17.381 9.113 -3.799 1.00 0.00 N ATOM 2132 CA LYS B 134 18.333 8.162 -4.348 1.00 0.00 C ATOM 2133 C LYS B 134 19.315 8.843 -5.292 1.00 0.00 C ATOM 2134 O LYS B 134 18.917 9.454 -6.287 1.00 0.00 O ATOM 2135 CB LYS B 134 17.602 7.045 -5.089 1.00 0.00 C ATOM 2136 CG LYS B 134 16.660 6.245 -4.208 1.00 0.00 C ATOM 2137 CD LYS B 134 15.942 5.171 -5.006 1.00 0.00 C ATOM 2138 CE LYS B 134 15.025 4.337 -4.129 1.00 0.00 C ATOM 2139 NZ LYS B 134 15.776 3.551 -3.114 1.00 0.00 N1+ ATOM 0 H LYS B 134 16.450 9.060 -4.213 1.00 0.00 H new ATOM 0 HA LYS B 134 18.893 7.738 -3.515 1.00 0.00 H new ATOM 0 HB2 LYS B 134 17.035 7.478 -5.913 1.00 0.00 H new ATOM 0 HB3 LYS B 134 18.337 6.370 -5.527 1.00 0.00 H new ATOM 0 HG2 LYS B 134 17.221 5.784 -3.395 1.00 0.00 H new ATOM 0 HG3 LYS B 134 15.929 6.913 -3.752 1.00 0.00 H new ATOM 0 HD2 LYS B 134 15.360 5.637 -5.801 1.00 0.00 H new ATOM 0 HD3 LYS B 134 16.675 4.523 -5.485 1.00 0.00 H new ATOM 0 HE2 LYS B 134 14.314 4.991 -3.625 1.00 0.00 H new ATOM 0 HE3 LYS B 134 14.446 3.658 -4.755 1.00 0.00 H new ATOM 0 HZ1 LYS B 134 15.106 3.105 -2.455 1.00 0.00 H new ATOM 0 HZ2 LYS B 134 16.336 2.815 -3.590 1.00 0.00 H new ATOM 0 HZ3 LYS B 134 16.412 4.183 -2.587 1.00 0.00 H new ATOM 2153 N LYS B 135 20.592 8.747 -4.963 1.00 0.00 N ATOM 2154 CA LYS B 135 21.645 9.258 -5.817 1.00 0.00 C ATOM 2155 C LYS B 135 21.873 8.308 -6.983 1.00 0.00 C ATOM 2156 O LYS B 135 21.345 8.571 -8.083 1.00 0.00 O ATOM 2157 CB LYS B 135 22.947 9.444 -5.027 1.00 0.00 C ATOM 2158 CG LYS B 135 22.902 10.569 -4.002 1.00 0.00 C ATOM 2159 CD LYS B 135 22.025 10.235 -2.809 1.00 0.00 C ATOM 2160 CE LYS B 135 21.953 11.398 -1.836 1.00 0.00 C ATOM 2161 NZ LYS B 135 20.953 11.161 -0.767 1.00 0.00 N1+ ATOM 2162 OXT LYS B 135 22.549 7.277 -6.785 1.00 0.00 O ATOM 0 H LYS B 135 20.924 8.315 -4.101 1.00 0.00 H new ATOM 0 HA LYS B 135 21.336 10.230 -6.201 1.00 0.00 H new ATOM 0 HB2 LYS B 135 23.184 8.511 -4.515 1.00 0.00 H new ATOM 0 HB3 LYS B 135 23.759 9.639 -5.728 1.00 0.00 H new ATOM 0 HG2 LYS B 135 23.914 10.782 -3.657 1.00 0.00 H new ATOM 0 HG3 LYS B 135 22.531 11.476 -4.479 1.00 0.00 H new ATOM 0 HD2 LYS B 135 21.022 9.982 -3.152 1.00 0.00 H new ATOM 0 HD3 LYS B 135 22.419 9.356 -2.300 1.00 0.00 H new ATOM 0 HE2 LYS B 135 22.934 11.558 -1.387 1.00 0.00 H new ATOM 0 HE3 LYS B 135 21.698 12.309 -2.377 1.00 0.00 H new ATOM 0 HZ1 LYS B 135 20.709 12.064 -0.313 1.00 0.00 H new ATOM 0 HZ2 LYS B 135 20.097 10.739 -1.180 1.00 0.00 H new ATOM 0 HZ3 LYS B 135 21.351 10.513 -0.057 1.00 0.00 H new TER 2176 LYS B 135