USER MOD reduce.3.24.130724 H: found=0, std=0, add=790, rem=0, adj=35 USER MOD reduce.3.24.130724 removed 787 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 56 SER OG : rot -165:sc= 1.53 USER MOD Set 1.2: A 94 TYR OH : rot 180:sc= 0.952 USER MOD Set 2.1: A 15 SER OG : rot -157:sc=-0.000773 USER MOD Set 2.2: A 55 ASN : amide:sc= 0 K(o=-0.0058,f=-1.5!) USER MOD Set 2.3: A 87 ASN :FLIP amide:sc=-0.00206 F(o=-0.92,f=-0.0058) USER MOD Set 2.4: A 89 MET CE :methyl 149:sc=-0.00294 (180deg=-0.172) USER MOD Set 3.1: A 34 TYR OH : rot 95:sc= 0.913 USER MOD Set 3.2: A 40 SER OG : rot -47:sc= 1.61 USER MOD Set 3.3: A 51 GLN : amide:sc= -0.2 K(o=0.038,f=-0.65) USER MOD Set 3.4: A 53 ASN : amide:sc= -2.29! C(o=0.038!,f=-3.1!) USER MOD Single : A 1 GLY N :NH3+ 175:sc= 0 (180deg=-0.0213) USER MOD Single : A 2 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 3 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 6 LYS NZ :NH3+ -128:sc= 0.888 (180deg=-0.048) USER MOD Single : A 7 ASN : amide:sc= 0 X(o=0,f=-0.016) USER MOD Single : A 8 LYS NZ :NH3+ -160:sc= -0.0765 (180deg=-0.45) USER MOD Single : A 10 ASN :FLIP amide:sc= -0.573 F(o=-1.5,f=-0.57) USER MOD Single : A 11 THR OG1 : rot 180:sc= -0.545 USER MOD Single : A 12 TYR OH : rot -138:sc= 0.688 USER MOD Single : A 18 TYR OH : rot -87:sc= 1.33 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot 74:sc= 1.16 USER MOD Single : A 33 MET CE :methyl -160:sc= -2.1 (180deg=-2.54) USER MOD Single : A 36 MET CE :methyl -170:sc= -0.854 (180deg=-1.03) USER MOD Single : A 37 ASN :FLIP amide:sc= 0 F(o=-0.62,f=0) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 46 TYR OH : rot 141:sc= 0.303 USER MOD Single : A 60 THR OG1 : rot -37:sc= 0.128 USER MOD Single : A 61 THR OG1 : rot 161:sc= -2.56! USER MOD Single : A 62 SER OG : rot 180:sc= 0.00915 USER MOD Single : A 66 SER OG : rot 180:sc= 0.0171 USER MOD Single : A 75 LYS NZ :NH3+ 171:sc=-0.00875 (180deg=-0.093) USER MOD Single : A 76 CYS SG : rot -28:sc= -0.823 USER MOD Single : A 90 THR OG1 : rot 139:sc= 1.21 USER MOD Single : A 97 GLN :FLIP amide:sc= -0.0224 F(o=-1.5!,f=-0.022) USER MOD Single : A 99 TYR OH : rot 173:sc= -0.613 USER MOD Single : A 100 LYS NZ :NH3+ 166:sc= -0.0181 (180deg=-0.215) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -2.255 4.167 -0.719 1.00 0.00 N ATOM 2 CA GLY A 1 -1.123 4.763 -1.440 1.00 0.00 C ATOM 3 C GLY A 1 -0.710 3.950 -2.656 1.00 0.00 C ATOM 4 O GLY A 1 0.477 3.821 -2.951 1.00 0.00 O ATOM 0 H1 GLY A 1 -2.442 4.713 0.146 1.00 0.00 H new ATOM 0 H2 GLY A 1 -3.099 4.181 -1.326 1.00 0.00 H new ATOM 0 H3 GLY A 1 -2.027 3.184 -0.466 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -1.389 5.772 -1.756 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -0.274 4.854 -0.763 1.00 0.00 H new ATOM 8 N HIS A 2 -1.672 3.412 -3.373 1.00 0.00 N ATOM 9 CA HIS A 2 -1.389 2.600 -4.542 1.00 0.00 C ATOM 10 C HIS A 2 -1.645 3.367 -5.794 1.00 0.00 C ATOM 11 O HIS A 2 -2.785 3.727 -6.093 1.00 0.00 O ATOM 12 CB HIS A 2 -2.221 1.313 -4.578 1.00 0.00 C ATOM 13 CG HIS A 2 -1.804 0.249 -3.619 1.00 0.00 C ATOM 14 ND1 HIS A 2 -2.374 0.074 -2.382 1.00 0.00 N ATOM 15 CD2 HIS A 2 -0.892 -0.737 -3.748 1.00 0.00 C ATOM 16 CE1 HIS A 2 -1.834 -0.968 -1.801 1.00 0.00 C ATOM 17 NE2 HIS A 2 -0.937 -1.477 -2.604 1.00 0.00 N ATOM 0 H HIS A 2 -2.665 3.522 -3.167 1.00 0.00 H new ATOM 0 HA HIS A 2 -0.336 2.328 -4.475 1.00 0.00 H new ATOM 0 HB2 HIS A 2 -3.262 1.569 -4.379 1.00 0.00 H new ATOM 0 HB3 HIS A 2 -2.181 0.904 -5.587 1.00 0.00 H new ATOM 0 HD2 HIS A 2 -0.248 -0.908 -4.598 1.00 0.00 H new ATOM 0 HE1 HIS A 2 -2.088 -1.344 -0.821 1.00 0.00 H new ATOM 0 HE2 HIS A 2 -0.363 -2.296 -2.406 1.00 0.00 H new ATOM 25 N MET A 3 -0.609 3.641 -6.508 1.00 0.00 N ATOM 26 CA MET A 3 -0.727 4.250 -7.798 1.00 0.00 C ATOM 27 C MET A 3 -0.352 3.198 -8.809 1.00 0.00 C ATOM 28 O MET A 3 0.824 3.023 -9.143 1.00 0.00 O ATOM 29 CB MET A 3 0.167 5.493 -7.938 1.00 0.00 C ATOM 30 CG MET A 3 0.062 6.166 -9.305 1.00 0.00 C ATOM 31 SD MET A 3 1.147 7.600 -9.475 1.00 0.00 S ATOM 32 CE MET A 3 0.821 8.039 -11.185 1.00 0.00 C ATOM 0 H MET A 3 0.350 3.450 -6.218 1.00 0.00 H new ATOM 0 HA MET A 3 -1.747 4.602 -7.953 1.00 0.00 H new ATOM 0 HB2 MET A 3 -0.102 6.213 -7.165 1.00 0.00 H new ATOM 0 HB3 MET A 3 1.204 5.207 -7.761 1.00 0.00 H new ATOM 0 HG2 MET A 3 0.306 5.440 -10.080 1.00 0.00 H new ATOM 0 HG3 MET A 3 -0.969 6.477 -9.472 1.00 0.00 H new ATOM 0 HE1 MET A 3 1.415 8.912 -11.456 1.00 0.00 H new ATOM 0 HE2 MET A 3 1.087 7.203 -11.832 1.00 0.00 H new ATOM 0 HE3 MET A 3 -0.238 8.269 -11.306 1.00 0.00 H new ATOM 42 N GLU A 4 -1.321 2.419 -9.202 1.00 0.00 N ATOM 43 CA GLU A 4 -1.096 1.358 -10.089 1.00 0.00 C ATOM 44 C GLU A 4 -1.266 1.866 -11.499 1.00 0.00 C ATOM 45 O GLU A 4 -2.223 2.609 -11.787 1.00 0.00 O ATOM 46 CB GLU A 4 -2.084 0.253 -9.804 1.00 0.00 C ATOM 47 CG GLU A 4 -1.760 -1.029 -10.501 1.00 0.00 C ATOM 48 CD GLU A 4 -2.702 -2.149 -10.152 1.00 0.00 C ATOM 49 OE1 GLU A 4 -2.695 -2.602 -8.992 1.00 0.00 O ATOM 50 OE2 GLU A 4 -3.434 -2.633 -11.037 1.00 0.00 O ATOM 0 H GLU A 4 -2.291 2.520 -8.902 1.00 0.00 H new ATOM 0 HA GLU A 4 -0.087 0.964 -9.966 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -2.118 0.075 -8.729 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -3.079 0.580 -10.105 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -1.784 -0.865 -11.578 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -0.743 -1.326 -10.246 1.00 0.00 H new ATOM 57 N GLY A 5 -0.361 1.495 -12.358 1.00 0.00 N ATOM 58 CA GLY A 5 -0.432 1.935 -13.708 1.00 0.00 C ATOM 59 C GLY A 5 -1.143 0.947 -14.575 1.00 0.00 C ATOM 60 O GLY A 5 -2.288 0.575 -14.303 1.00 0.00 O ATOM 0 H GLY A 5 0.431 0.890 -12.142 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -0.948 2.894 -13.751 1.00 0.00 H new ATOM 0 HA3 GLY A 5 0.575 2.097 -14.091 1.00 0.00 H new ATOM 64 N LYS A 6 -0.474 0.485 -15.582 1.00 0.00 N ATOM 65 CA LYS A 6 -1.056 -0.401 -16.534 1.00 0.00 C ATOM 66 C LYS A 6 0.058 -1.096 -17.293 1.00 0.00 C ATOM 67 O LYS A 6 0.970 -0.444 -17.796 1.00 0.00 O ATOM 68 CB LYS A 6 -1.942 0.398 -17.494 1.00 0.00 C ATOM 69 CG LYS A 6 -2.669 -0.438 -18.519 1.00 0.00 C ATOM 70 CD LYS A 6 -3.434 0.431 -19.489 1.00 0.00 C ATOM 71 CE LYS A 6 -4.636 1.126 -18.863 1.00 0.00 C ATOM 72 NZ LYS A 6 -5.408 1.884 -19.874 1.00 0.00 N ATOM 0 H LYS A 6 0.502 0.716 -15.767 1.00 0.00 H new ATOM 0 HA LYS A 6 -1.671 -1.148 -16.033 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -2.676 0.955 -16.912 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -1.324 1.131 -18.013 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -1.953 -1.053 -19.064 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -3.356 -1.118 -18.016 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -2.761 1.184 -19.898 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -3.773 -0.182 -20.324 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -5.281 0.385 -18.390 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -4.299 1.803 -18.078 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -5.544 2.861 -19.546 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -4.888 1.891 -20.775 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -6.335 1.433 -20.013 1.00 0.00 H new ATOM 86 N ASN A 7 -0.003 -2.402 -17.357 1.00 0.00 N ATOM 87 CA ASN A 7 1.001 -3.174 -18.056 1.00 0.00 C ATOM 88 C ASN A 7 0.429 -3.644 -19.359 1.00 0.00 C ATOM 89 O ASN A 7 1.128 -4.203 -20.205 1.00 0.00 O ATOM 90 CB ASN A 7 1.500 -4.377 -17.233 1.00 0.00 C ATOM 91 CG ASN A 7 0.416 -5.378 -16.902 1.00 0.00 C ATOM 92 OD1 ASN A 7 0.157 -6.317 -17.654 1.00 0.00 O ATOM 93 ND2 ASN A 7 -0.215 -5.181 -15.786 1.00 0.00 N ATOM 0 H ASN A 7 -0.743 -2.960 -16.931 1.00 0.00 H new ATOM 0 HA ASN A 7 1.864 -2.530 -18.226 1.00 0.00 H new ATOM 0 HB2 ASN A 7 2.292 -4.882 -17.787 1.00 0.00 H new ATOM 0 HB3 ASN A 7 1.942 -4.013 -16.305 1.00 0.00 H new ATOM 0 HD21 ASN A 7 -0.959 -5.818 -15.501 1.00 0.00 H new ATOM 0 HD22 ASN A 7 0.033 -4.389 -15.193 1.00 0.00 H new ATOM 100 N LYS A 8 -0.860 -3.423 -19.512 1.00 0.00 N ATOM 101 CA LYS A 8 -1.555 -3.779 -20.703 1.00 0.00 C ATOM 102 C LYS A 8 -1.366 -2.712 -21.767 1.00 0.00 C ATOM 103 O LYS A 8 -2.068 -1.700 -21.793 1.00 0.00 O ATOM 104 CB LYS A 8 -3.053 -4.039 -20.424 1.00 0.00 C ATOM 105 CG LYS A 8 -3.881 -4.249 -21.685 1.00 0.00 C ATOM 106 CD LYS A 8 -5.358 -4.486 -21.395 1.00 0.00 C ATOM 107 CE LYS A 8 -5.623 -5.904 -20.922 1.00 0.00 C ATOM 108 NZ LYS A 8 -5.325 -6.901 -21.979 1.00 0.00 N ATOM 0 H LYS A 8 -1.447 -2.988 -18.801 1.00 0.00 H new ATOM 0 HA LYS A 8 -1.131 -4.711 -21.078 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -3.148 -4.918 -19.787 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -3.462 -3.196 -19.867 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -3.779 -3.376 -22.330 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -3.483 -5.101 -22.236 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -5.696 -3.781 -20.636 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -5.941 -4.289 -22.295 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -5.014 -6.114 -20.042 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -6.666 -5.997 -20.618 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -5.818 -7.791 -21.765 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -5.647 -6.539 -22.899 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -4.300 -7.073 -22.015 1.00 0.00 H new ATOM 122 N PHE A 9 -0.360 -2.895 -22.562 1.00 0.00 N ATOM 123 CA PHE A 9 -0.141 -2.055 -23.705 1.00 0.00 C ATOM 124 C PHE A 9 -0.934 -2.600 -24.844 1.00 0.00 C ATOM 125 O PHE A 9 -0.744 -3.744 -25.277 1.00 0.00 O ATOM 126 CB PHE A 9 1.348 -1.884 -24.045 1.00 0.00 C ATOM 127 CG PHE A 9 2.064 -0.969 -23.086 1.00 0.00 C ATOM 128 CD1 PHE A 9 2.360 -1.374 -21.793 1.00 0.00 C ATOM 129 CD2 PHE A 9 2.437 0.306 -23.486 1.00 0.00 C ATOM 130 CE1 PHE A 9 3.013 -0.529 -20.918 1.00 0.00 C ATOM 131 CE2 PHE A 9 3.092 1.155 -22.615 1.00 0.00 C ATOM 132 CZ PHE A 9 3.380 0.738 -21.330 1.00 0.00 C ATOM 0 H PHE A 9 0.336 -3.631 -22.440 1.00 0.00 H new ATOM 0 HA PHE A 9 -0.483 -1.045 -23.478 1.00 0.00 H new ATOM 0 HB2 PHE A 9 1.832 -2.861 -24.038 1.00 0.00 H new ATOM 0 HB3 PHE A 9 1.442 -1.488 -25.056 1.00 0.00 H new ATOM 0 HD1 PHE A 9 2.076 -2.363 -21.466 1.00 0.00 H new ATOM 0 HD2 PHE A 9 2.213 0.638 -24.489 1.00 0.00 H new ATOM 0 HE1 PHE A 9 3.237 -0.857 -19.914 1.00 0.00 H new ATOM 0 HE2 PHE A 9 3.379 2.145 -22.939 1.00 0.00 H new ATOM 0 HZ PHE A 9 3.891 1.401 -20.648 1.00 0.00 H new ATOM 142 N ASN A 10 -1.834 -1.805 -25.302 1.00 0.00 N ATOM 143 CA ASN A 10 -2.773 -2.214 -26.296 1.00 0.00 C ATOM 144 C ASN A 10 -2.239 -1.873 -27.642 1.00 0.00 C ATOM 145 O ASN A 10 -1.115 -1.405 -27.760 1.00 0.00 O ATOM 146 CB ASN A 10 -4.122 -1.539 -26.054 1.00 0.00 C ATOM 147 CG ASN A 10 -4.809 -2.050 -24.801 1.00 0.00 C ATOM 148 OD1 ASN A 10 -4.487 -1.475 -23.682 1.00 0.00 O flip ATOM 149 ND2 ASN A 10 -5.593 -2.995 -24.847 1.00 0.00 N flip ATOM 0 H ASN A 10 -1.944 -0.838 -24.996 1.00 0.00 H new ATOM 0 HA ASN A 10 -2.924 -3.292 -26.240 1.00 0.00 H new ATOM 0 HB2 ASN A 10 -3.976 -0.462 -25.972 1.00 0.00 H new ATOM 0 HB3 ASN A 10 -4.769 -1.708 -26.915 1.00 0.00 H new ATOM 0 HD21 ASN A 10 -5.824 -3.423 -25.744 1.00 0.00 H new ATOM 0 HD22 ASN A 10 -6.013 -3.351 -23.989 1.00 0.00 H new ATOM 156 N THR A 11 -2.985 -2.113 -28.651 1.00 0.00 N ATOM 157 CA THR A 11 -2.530 -1.801 -29.939 1.00 0.00 C ATOM 158 C THR A 11 -3.668 -1.217 -30.786 1.00 0.00 C ATOM 159 O THR A 11 -4.754 -1.800 -30.930 1.00 0.00 O ATOM 160 CB THR A 11 -1.801 -3.017 -30.588 1.00 0.00 C ATOM 161 OG1 THR A 11 -1.139 -2.635 -31.801 1.00 0.00 O ATOM 162 CG2 THR A 11 -2.739 -4.199 -30.842 1.00 0.00 C ATOM 0 H THR A 11 -3.916 -2.526 -28.605 1.00 0.00 H new ATOM 0 HA THR A 11 -1.775 -1.017 -29.877 1.00 0.00 H new ATOM 0 HB THR A 11 -1.053 -3.348 -29.868 1.00 0.00 H new ATOM 0 HG1 THR A 11 -0.688 -3.415 -32.187 1.00 0.00 H new ATOM 0 HG21 THR A 11 -2.179 -5.017 -31.295 1.00 0.00 H new ATOM 0 HG22 THR A 11 -3.168 -4.532 -29.897 1.00 0.00 H new ATOM 0 HG23 THR A 11 -3.539 -3.891 -31.515 1.00 0.00 H new ATOM 170 N TYR A 12 -3.432 -0.039 -31.289 1.00 0.00 N ATOM 171 CA TYR A 12 -4.421 0.689 -32.037 1.00 0.00 C ATOM 172 C TYR A 12 -3.914 1.044 -33.390 1.00 0.00 C ATOM 173 O TYR A 12 -2.719 0.993 -33.642 1.00 0.00 O ATOM 174 CB TYR A 12 -4.778 1.977 -31.337 1.00 0.00 C ATOM 175 CG TYR A 12 -5.508 1.837 -30.042 1.00 0.00 C ATOM 176 CD1 TYR A 12 -6.899 1.720 -30.002 1.00 0.00 C ATOM 177 CD2 TYR A 12 -4.812 1.877 -28.849 1.00 0.00 C ATOM 178 CE1 TYR A 12 -7.556 1.644 -28.781 1.00 0.00 C ATOM 179 CE2 TYR A 12 -5.452 1.815 -27.648 1.00 0.00 C ATOM 180 CZ TYR A 12 -6.816 1.699 -27.606 1.00 0.00 C ATOM 181 OH TYR A 12 -7.445 1.674 -26.379 1.00 0.00 O ATOM 0 H TYR A 12 -2.541 0.448 -31.192 1.00 0.00 H new ATOM 0 HA TYR A 12 -5.295 0.043 -32.120 1.00 0.00 H new ATOM 0 HB2 TYR A 12 -3.860 2.535 -31.155 1.00 0.00 H new ATOM 0 HB3 TYR A 12 -5.388 2.577 -32.012 1.00 0.00 H new ATOM 0 HD1 TYR A 12 -7.464 1.689 -30.922 1.00 0.00 H new ATOM 0 HD2 TYR A 12 -3.735 1.959 -28.869 1.00 0.00 H new ATOM 0 HE1 TYR A 12 -8.631 1.543 -28.745 1.00 0.00 H new ATOM 0 HE2 TYR A 12 -4.884 1.857 -26.730 1.00 0.00 H new ATOM 0 HH TYR A 12 -7.023 2.326 -25.782 1.00 0.00 H new ATOM 191 N VAL A 13 -4.825 1.430 -34.221 1.00 0.00 N ATOM 192 CA VAL A 13 -4.578 1.875 -35.563 1.00 0.00 C ATOM 193 C VAL A 13 -5.330 3.186 -35.820 1.00 0.00 C ATOM 194 O VAL A 13 -6.496 3.322 -35.480 1.00 0.00 O ATOM 195 CB VAL A 13 -4.986 0.792 -36.618 1.00 0.00 C ATOM 196 CG1 VAL A 13 -5.098 1.390 -37.997 1.00 0.00 C ATOM 197 CG2 VAL A 13 -3.942 -0.289 -36.667 1.00 0.00 C ATOM 0 H VAL A 13 -5.815 1.446 -33.974 1.00 0.00 H new ATOM 0 HA VAL A 13 -3.507 2.045 -35.672 1.00 0.00 H new ATOM 0 HB VAL A 13 -5.952 0.387 -36.318 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -5.383 0.614 -38.708 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -5.855 2.174 -37.993 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -4.137 1.815 -38.289 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -4.230 -1.040 -37.402 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -2.982 0.145 -36.948 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -3.856 -0.756 -35.686 1.00 0.00 H new ATOM 207 N VAL A 14 -4.663 4.132 -36.397 1.00 0.00 N ATOM 208 CA VAL A 14 -5.260 5.387 -36.722 1.00 0.00 C ATOM 209 C VAL A 14 -5.304 5.538 -38.217 1.00 0.00 C ATOM 210 O VAL A 14 -4.385 5.168 -38.891 1.00 0.00 O ATOM 211 CB VAL A 14 -4.526 6.587 -36.060 1.00 0.00 C ATOM 212 CG1 VAL A 14 -3.038 6.583 -36.375 1.00 0.00 C ATOM 213 CG2 VAL A 14 -5.167 7.918 -36.464 1.00 0.00 C ATOM 0 H VAL A 14 -3.680 4.055 -36.658 1.00 0.00 H new ATOM 0 HA VAL A 14 -6.273 5.395 -36.321 1.00 0.00 H new ATOM 0 HB VAL A 14 -4.631 6.473 -34.981 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -2.562 7.437 -35.894 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -2.590 5.661 -36.004 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -2.894 6.647 -37.454 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -4.633 8.739 -35.986 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -5.115 8.033 -37.547 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -6.210 7.931 -36.147 1.00 0.00 H new ATOM 223 N SER A 15 -6.393 6.000 -38.710 1.00 0.00 N ATOM 224 CA SER A 15 -6.577 6.222 -40.116 1.00 0.00 C ATOM 225 C SER A 15 -6.770 7.717 -40.375 1.00 0.00 C ATOM 226 O SER A 15 -7.755 8.301 -39.927 1.00 0.00 O ATOM 227 CB SER A 15 -7.768 5.387 -40.567 1.00 0.00 C ATOM 228 OG SER A 15 -7.492 4.018 -40.323 1.00 0.00 O ATOM 0 H SER A 15 -7.206 6.243 -38.144 1.00 0.00 H new ATOM 0 HA SER A 15 -5.704 5.915 -40.692 1.00 0.00 H new ATOM 0 HB2 SER A 15 -8.666 5.691 -40.030 1.00 0.00 H new ATOM 0 HB3 SER A 15 -7.961 5.549 -41.628 1.00 0.00 H new ATOM 0 HG SER A 15 -8.045 3.463 -40.912 1.00 0.00 H new ATOM 234 N PHE A 16 -5.808 8.332 -41.035 1.00 0.00 N ATOM 235 CA PHE A 16 -5.832 9.771 -41.284 1.00 0.00 C ATOM 236 C PHE A 16 -6.531 10.148 -42.574 1.00 0.00 C ATOM 237 O PHE A 16 -6.313 9.537 -43.626 1.00 0.00 O ATOM 238 CB PHE A 16 -4.428 10.377 -41.260 1.00 0.00 C ATOM 239 CG PHE A 16 -3.863 10.566 -39.885 1.00 0.00 C ATOM 240 CD1 PHE A 16 -3.204 9.545 -39.230 1.00 0.00 C ATOM 241 CD2 PHE A 16 -4.001 11.783 -39.244 1.00 0.00 C ATOM 242 CE1 PHE A 16 -2.692 9.742 -37.963 1.00 0.00 C ATOM 243 CE2 PHE A 16 -3.494 11.979 -37.984 1.00 0.00 C ATOM 244 CZ PHE A 16 -2.839 10.959 -37.342 1.00 0.00 C ATOM 0 H PHE A 16 -4.989 7.857 -41.414 1.00 0.00 H new ATOM 0 HA PHE A 16 -6.415 10.190 -40.464 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -3.758 9.735 -41.831 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -4.452 11.342 -41.766 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -3.088 8.585 -39.712 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -4.515 12.591 -39.742 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -2.175 8.938 -37.459 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -3.611 12.936 -37.498 1.00 0.00 H new ATOM 0 HZ PHE A 16 -2.440 11.112 -36.350 1.00 0.00 H new ATOM 254 N ASP A 17 -7.335 11.179 -42.487 1.00 0.00 N ATOM 255 CA ASP A 17 -8.083 11.697 -43.616 1.00 0.00 C ATOM 256 C ASP A 17 -7.584 13.091 -43.903 1.00 0.00 C ATOM 257 O ASP A 17 -7.711 13.993 -43.050 1.00 0.00 O ATOM 258 CB ASP A 17 -9.590 11.808 -43.323 1.00 0.00 C ATOM 259 CG ASP A 17 -10.267 10.548 -42.848 1.00 0.00 C ATOM 260 OD1 ASP A 17 -10.152 9.493 -43.504 1.00 0.00 O ATOM 261 OD2 ASP A 17 -10.959 10.599 -41.808 1.00 0.00 O ATOM 0 H ASP A 17 -7.493 11.692 -41.620 1.00 0.00 H new ATOM 0 HA ASP A 17 -7.941 11.011 -44.451 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -9.737 12.582 -42.569 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -10.092 12.147 -44.229 1.00 0.00 H new ATOM 266 N TYR A 18 -6.992 13.268 -45.055 1.00 0.00 N ATOM 267 CA TYR A 18 -6.481 14.550 -45.491 1.00 0.00 C ATOM 268 C TYR A 18 -6.154 14.437 -46.974 1.00 0.00 C ATOM 269 O TYR A 18 -5.773 13.347 -47.437 1.00 0.00 O ATOM 270 CB TYR A 18 -5.195 14.953 -44.695 1.00 0.00 C ATOM 271 CG TYR A 18 -4.015 14.023 -44.924 1.00 0.00 C ATOM 272 CD1 TYR A 18 -3.910 12.822 -44.241 1.00 0.00 C ATOM 273 CD2 TYR A 18 -3.030 14.336 -45.855 1.00 0.00 C ATOM 274 CE1 TYR A 18 -2.869 11.957 -44.485 1.00 0.00 C ATOM 275 CE2 TYR A 18 -1.983 13.483 -46.097 1.00 0.00 C ATOM 276 CZ TYR A 18 -1.909 12.292 -45.415 1.00 0.00 C ATOM 277 OH TYR A 18 -0.883 11.425 -45.675 1.00 0.00 O ATOM 0 H TYR A 18 -6.847 12.517 -45.730 1.00 0.00 H new ATOM 0 HA TYR A 18 -7.231 15.321 -45.311 1.00 0.00 H new ATOM 0 HB2 TYR A 18 -4.907 15.966 -44.977 1.00 0.00 H new ATOM 0 HB3 TYR A 18 -5.429 14.972 -43.631 1.00 0.00 H new ATOM 0 HD1 TYR A 18 -4.657 12.561 -43.506 1.00 0.00 H new ATOM 0 HD2 TYR A 18 -3.091 15.268 -46.397 1.00 0.00 H new ATOM 0 HE1 TYR A 18 -2.804 11.021 -43.951 1.00 0.00 H new ATOM 0 HE2 TYR A 18 -1.223 13.745 -46.818 1.00 0.00 H new ATOM 0 HH TYR A 18 -0.150 11.587 -45.045 1.00 0.00 H new ATOM 287 N PRO A 19 -6.355 15.487 -47.757 1.00 0.00 N ATOM 288 CA PRO A 19 -5.929 15.491 -49.141 1.00 0.00 C ATOM 289 C PRO A 19 -4.409 15.634 -49.255 1.00 0.00 C ATOM 290 O PRO A 19 -3.754 16.252 -48.391 1.00 0.00 O ATOM 291 CB PRO A 19 -6.616 16.710 -49.740 1.00 0.00 C ATOM 292 CG PRO A 19 -6.901 17.603 -48.587 1.00 0.00 C ATOM 293 CD PRO A 19 -7.072 16.716 -47.387 1.00 0.00 C ATOM 0 HA PRO A 19 -6.187 14.562 -49.649 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -5.975 17.203 -50.471 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -7.534 16.430 -50.257 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -6.085 18.309 -48.433 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -7.802 18.190 -48.766 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -6.651 17.170 -46.490 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -8.124 16.519 -47.181 1.00 0.00 H new ATOM 301 N SER A 20 -3.871 15.115 -50.330 1.00 0.00 N ATOM 302 CA SER A 20 -2.437 15.104 -50.606 1.00 0.00 C ATOM 303 C SER A 20 -1.852 16.527 -50.751 1.00 0.00 C ATOM 304 O SER A 20 -0.638 16.710 -50.732 1.00 0.00 O ATOM 305 CB SER A 20 -2.191 14.306 -51.879 1.00 0.00 C ATOM 306 OG SER A 20 -2.842 13.045 -51.802 1.00 0.00 O ATOM 0 H SER A 20 -4.425 14.674 -51.064 1.00 0.00 H new ATOM 0 HA SER A 20 -1.932 14.642 -49.758 1.00 0.00 H new ATOM 0 HB2 SER A 20 -2.559 14.861 -52.742 1.00 0.00 H new ATOM 0 HB3 SER A 20 -1.120 14.162 -52.026 1.00 0.00 H new ATOM 0 HG SER A 20 -2.678 12.541 -52.627 1.00 0.00 H new ATOM 312 N SER A 21 -2.714 17.519 -50.884 1.00 0.00 N ATOM 313 CA SER A 21 -2.299 18.902 -50.999 1.00 0.00 C ATOM 314 C SER A 21 -1.585 19.368 -49.704 1.00 0.00 C ATOM 315 O SER A 21 -0.789 20.297 -49.731 1.00 0.00 O ATOM 316 CB SER A 21 -3.520 19.784 -51.312 1.00 0.00 C ATOM 317 OG SER A 21 -3.144 21.083 -51.765 1.00 0.00 O ATOM 0 H SER A 21 -3.725 17.386 -50.915 1.00 0.00 H new ATOM 0 HA SER A 21 -1.586 18.995 -51.818 1.00 0.00 H new ATOM 0 HB2 SER A 21 -4.131 19.299 -52.073 1.00 0.00 H new ATOM 0 HB3 SER A 21 -4.137 19.877 -50.419 1.00 0.00 H new ATOM 0 HG SER A 21 -3.949 21.609 -51.954 1.00 0.00 H new ATOM 323 N TYR A 22 -1.852 18.687 -48.582 1.00 0.00 N ATOM 324 CA TYR A 22 -1.197 19.021 -47.307 1.00 0.00 C ATOM 325 C TYR A 22 -0.108 18.008 -46.995 1.00 0.00 C ATOM 326 O TYR A 22 0.339 17.936 -45.857 1.00 0.00 O ATOM 327 CB TYR A 22 -2.170 18.973 -46.123 1.00 0.00 C ATOM 328 CG TYR A 22 -3.400 19.846 -46.124 1.00 0.00 C ATOM 329 CD1 TYR A 22 -3.376 21.123 -45.582 1.00 0.00 C ATOM 330 CD2 TYR A 22 -4.600 19.356 -46.577 1.00 0.00 C ATOM 331 CE1 TYR A 22 -4.527 21.890 -45.512 1.00 0.00 C ATOM 332 CE2 TYR A 22 -5.755 20.102 -46.498 1.00 0.00 C ATOM 333 CZ TYR A 22 -5.719 21.364 -45.971 1.00 0.00 C ATOM 334 OH TYR A 22 -6.889 22.089 -45.871 1.00 0.00 O ATOM 0 H TYR A 22 -2.510 17.909 -48.529 1.00 0.00 H new ATOM 0 HA TYR A 22 -0.801 20.029 -47.428 1.00 0.00 H new ATOM 0 HB2 TYR A 22 -2.505 17.941 -46.020 1.00 0.00 H new ATOM 0 HB3 TYR A 22 -1.601 19.215 -45.225 1.00 0.00 H new ATOM 0 HD1 TYR A 22 -2.446 21.525 -45.209 1.00 0.00 H new ATOM 0 HD2 TYR A 22 -4.639 18.365 -47.004 1.00 0.00 H new ATOM 0 HE1 TYR A 22 -4.493 22.889 -45.103 1.00 0.00 H new ATOM 0 HE2 TYR A 22 -6.689 19.691 -46.852 1.00 0.00 H new ATOM 0 HH TYR A 22 -7.630 21.567 -46.244 1.00 0.00 H new ATOM 344 N SER A 23 0.337 17.263 -47.989 1.00 0.00 N ATOM 345 CA SER A 23 1.311 16.191 -47.769 1.00 0.00 C ATOM 346 C SER A 23 2.576 16.712 -47.079 1.00 0.00 C ATOM 347 O SER A 23 2.965 16.192 -46.044 1.00 0.00 O ATOM 348 CB SER A 23 1.665 15.470 -49.087 1.00 0.00 C ATOM 349 OG SER A 23 2.518 14.348 -48.865 1.00 0.00 O ATOM 0 H SER A 23 0.044 17.374 -48.960 1.00 0.00 H new ATOM 0 HA SER A 23 0.843 15.465 -47.104 1.00 0.00 H new ATOM 0 HB2 SER A 23 0.750 15.139 -49.577 1.00 0.00 H new ATOM 0 HB3 SER A 23 2.154 16.170 -49.764 1.00 0.00 H new ATOM 0 HG SER A 23 2.719 13.916 -49.721 1.00 0.00 H new ATOM 355 N SER A 24 3.107 17.819 -47.566 1.00 0.00 N ATOM 356 CA SER A 24 4.381 18.350 -47.085 1.00 0.00 C ATOM 357 C SER A 24 4.253 18.906 -45.665 1.00 0.00 C ATOM 358 O SER A 24 5.216 18.968 -44.902 1.00 0.00 O ATOM 359 CB SER A 24 4.880 19.411 -48.055 1.00 0.00 C ATOM 360 OG SER A 24 4.878 18.893 -49.386 1.00 0.00 O ATOM 0 H SER A 24 2.674 18.377 -48.302 1.00 0.00 H new ATOM 0 HA SER A 24 5.109 17.540 -47.040 1.00 0.00 H new ATOM 0 HB2 SER A 24 4.245 20.295 -47.999 1.00 0.00 H new ATOM 0 HB3 SER A 24 5.887 19.724 -47.779 1.00 0.00 H new ATOM 0 HG SER A 24 5.199 19.581 -50.005 1.00 0.00 H new ATOM 366 N VAL A 25 3.048 19.230 -45.309 1.00 0.00 N ATOM 367 CA VAL A 25 2.735 19.772 -44.010 1.00 0.00 C ATOM 368 C VAL A 25 2.467 18.646 -43.036 1.00 0.00 C ATOM 369 O VAL A 25 2.797 18.714 -41.848 1.00 0.00 O ATOM 370 CB VAL A 25 1.506 20.690 -44.119 1.00 0.00 C ATOM 371 CG1 VAL A 25 0.940 21.021 -42.759 1.00 0.00 C ATOM 372 CG2 VAL A 25 1.885 21.949 -44.860 1.00 0.00 C ATOM 0 H VAL A 25 2.237 19.126 -45.918 1.00 0.00 H new ATOM 0 HA VAL A 25 3.581 20.355 -43.645 1.00 0.00 H new ATOM 0 HB VAL A 25 0.728 20.164 -44.673 1.00 0.00 H new ATOM 0 HG11 VAL A 25 0.073 21.671 -42.874 1.00 0.00 H new ATOM 0 HG12 VAL A 25 0.640 20.102 -42.256 1.00 0.00 H new ATOM 0 HG13 VAL A 25 1.698 21.529 -42.163 1.00 0.00 H new ATOM 0 HG21 VAL A 25 1.015 22.601 -44.938 1.00 0.00 H new ATOM 0 HG22 VAL A 25 2.678 22.465 -44.319 1.00 0.00 H new ATOM 0 HG23 VAL A 25 2.236 21.691 -45.859 1.00 0.00 H new ATOM 382 N PHE A 26 1.941 17.593 -43.553 1.00 0.00 N ATOM 383 CA PHE A 26 1.579 16.479 -42.769 1.00 0.00 C ATOM 384 C PHE A 26 2.809 15.679 -42.403 1.00 0.00 C ATOM 385 O PHE A 26 2.815 14.933 -41.420 1.00 0.00 O ATOM 386 CB PHE A 26 0.556 15.648 -43.521 1.00 0.00 C ATOM 387 CG PHE A 26 0.559 14.209 -43.122 1.00 0.00 C ATOM 388 CD1 PHE A 26 -0.077 13.799 -41.964 1.00 0.00 C ATOM 389 CD2 PHE A 26 1.251 13.274 -43.877 1.00 0.00 C ATOM 390 CE1 PHE A 26 -0.021 12.484 -41.568 1.00 0.00 C ATOM 391 CE2 PHE A 26 1.304 11.959 -43.489 1.00 0.00 C ATOM 392 CZ PHE A 26 0.670 11.564 -42.334 1.00 0.00 C ATOM 0 H PHE A 26 1.749 17.485 -44.549 1.00 0.00 H new ATOM 0 HA PHE A 26 1.123 16.809 -41.836 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -0.437 16.064 -43.350 1.00 0.00 H new ATOM 0 HB3 PHE A 26 0.753 15.722 -44.591 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -0.621 14.516 -41.367 1.00 0.00 H new ATOM 0 HD2 PHE A 26 1.754 13.585 -44.781 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -0.516 12.170 -40.661 1.00 0.00 H new ATOM 0 HE2 PHE A 26 1.841 11.238 -44.087 1.00 0.00 H new ATOM 0 HZ PHE A 26 0.712 10.530 -42.024 1.00 0.00 H new ATOM 402 N LEU A 27 3.869 15.864 -43.163 1.00 0.00 N ATOM 403 CA LEU A 27 5.115 15.175 -42.901 1.00 0.00 C ATOM 404 C LEU A 27 5.610 15.536 -41.512 1.00 0.00 C ATOM 405 O LEU A 27 6.235 14.744 -40.841 1.00 0.00 O ATOM 406 CB LEU A 27 6.186 15.542 -43.923 1.00 0.00 C ATOM 407 CG LEU A 27 5.804 15.406 -45.389 1.00 0.00 C ATOM 408 CD1 LEU A 27 6.988 15.678 -46.286 1.00 0.00 C ATOM 409 CD2 LEU A 27 5.165 14.057 -45.683 1.00 0.00 C ATOM 0 H LEU A 27 3.892 16.488 -43.970 1.00 0.00 H new ATOM 0 HA LEU A 27 4.927 14.104 -42.973 1.00 0.00 H new ATOM 0 HB2 LEU A 27 6.488 16.574 -43.744 1.00 0.00 H new ATOM 0 HB3 LEU A 27 7.060 14.917 -43.739 1.00 0.00 H new ATOM 0 HG LEU A 27 5.050 16.163 -45.605 1.00 0.00 H new ATOM 0 HD11 LEU A 27 6.686 15.574 -47.328 1.00 0.00 H new ATOM 0 HD12 LEU A 27 7.351 16.691 -46.113 1.00 0.00 H new ATOM 0 HD13 LEU A 27 7.783 14.966 -46.065 1.00 0.00 H new ATOM 0 HD21 LEU A 27 4.907 13.999 -46.740 1.00 0.00 H new ATOM 0 HD22 LEU A 27 5.867 13.260 -45.437 1.00 0.00 H new ATOM 0 HD23 LEU A 27 4.263 13.943 -45.082 1.00 0.00 H new ATOM 421 N ARG A 28 5.222 16.708 -41.065 1.00 0.00 N ATOM 422 CA ARG A 28 5.637 17.217 -39.771 1.00 0.00 C ATOM 423 C ARG A 28 4.909 16.434 -38.684 1.00 0.00 C ATOM 424 O ARG A 28 5.456 16.137 -37.643 1.00 0.00 O ATOM 425 CB ARG A 28 5.302 18.717 -39.651 1.00 0.00 C ATOM 426 CG ARG A 28 5.633 19.535 -40.897 1.00 0.00 C ATOM 427 CD ARG A 28 7.057 19.335 -41.349 1.00 0.00 C ATOM 428 NE ARG A 28 7.307 19.969 -42.634 1.00 0.00 N ATOM 429 CZ ARG A 28 8.417 19.831 -43.354 1.00 0.00 C ATOM 430 NH1 ARG A 28 9.457 19.145 -42.866 1.00 0.00 N ATOM 431 NH2 ARG A 28 8.487 20.383 -44.559 1.00 0.00 N ATOM 0 H ARG A 28 4.610 17.338 -41.585 1.00 0.00 H new ATOM 0 HA ARG A 28 6.715 17.098 -39.660 1.00 0.00 H new ATOM 0 HB2 ARG A 28 4.240 18.824 -39.432 1.00 0.00 H new ATOM 0 HB3 ARG A 28 5.846 19.132 -38.803 1.00 0.00 H new ATOM 0 HG2 ARG A 28 4.955 19.255 -41.704 1.00 0.00 H new ATOM 0 HG3 ARG A 28 5.464 20.592 -40.691 1.00 0.00 H new ATOM 0 HD2 ARG A 28 7.737 19.745 -40.602 1.00 0.00 H new ATOM 0 HD3 ARG A 28 7.269 18.268 -41.422 1.00 0.00 H new ATOM 0 HE ARG A 28 6.573 20.567 -43.013 1.00 0.00 H new ATOM 0 HH11 ARG A 28 9.401 18.725 -41.938 1.00 0.00 H new ATOM 0 HH12 ARG A 28 10.306 19.042 -43.422 1.00 0.00 H new ATOM 0 HH21 ARG A 28 7.693 20.908 -44.926 1.00 0.00 H new ATOM 0 HH22 ARG A 28 9.334 20.282 -45.118 1.00 0.00 H new ATOM 445 N LEU A 29 3.689 16.049 -38.993 1.00 0.00 N ATOM 446 CA LEU A 29 2.825 15.311 -38.092 1.00 0.00 C ATOM 447 C LEU A 29 3.231 13.835 -38.102 1.00 0.00 C ATOM 448 O LEU A 29 3.195 13.165 -37.076 1.00 0.00 O ATOM 449 CB LEU A 29 1.352 15.519 -38.551 1.00 0.00 C ATOM 450 CG LEU A 29 0.173 15.067 -37.632 1.00 0.00 C ATOM 451 CD1 LEU A 29 -0.052 13.580 -37.672 1.00 0.00 C ATOM 452 CD2 LEU A 29 0.378 15.517 -36.194 1.00 0.00 C ATOM 0 H LEU A 29 3.259 16.244 -39.897 1.00 0.00 H new ATOM 0 HA LEU A 29 2.920 15.668 -37.067 1.00 0.00 H new ATOM 0 HB2 LEU A 29 1.221 16.584 -38.745 1.00 0.00 H new ATOM 0 HB3 LEU A 29 1.235 15.004 -39.505 1.00 0.00 H new ATOM 0 HG LEU A 29 -0.718 15.552 -38.030 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -0.882 13.320 -37.016 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -0.286 13.275 -38.692 1.00 0.00 H new ATOM 0 HD13 LEU A 29 0.849 13.066 -37.337 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -0.463 15.184 -35.585 1.00 0.00 H new ATOM 0 HD22 LEU A 29 1.301 15.086 -35.806 1.00 0.00 H new ATOM 0 HD23 LEU A 29 0.443 16.604 -36.159 1.00 0.00 H new ATOM 464 N ARG A 30 3.670 13.342 -39.260 1.00 0.00 N ATOM 465 CA ARG A 30 4.065 11.942 -39.375 1.00 0.00 C ATOM 466 C ARG A 30 5.367 11.705 -38.642 1.00 0.00 C ATOM 467 O ARG A 30 5.572 10.659 -38.041 1.00 0.00 O ATOM 468 CB ARG A 30 4.143 11.485 -40.829 1.00 0.00 C ATOM 469 CG ARG A 30 5.377 11.884 -41.589 1.00 0.00 C ATOM 470 CD ARG A 30 5.310 11.415 -43.032 1.00 0.00 C ATOM 471 NE ARG A 30 5.364 9.955 -43.144 1.00 0.00 N ATOM 472 CZ ARG A 30 4.790 9.230 -44.125 1.00 0.00 C ATOM 473 NH1 ARG A 30 4.092 9.829 -45.101 1.00 0.00 N ATOM 474 NH2 ARG A 30 4.939 7.914 -44.143 1.00 0.00 N ATOM 0 H ARG A 30 3.760 13.884 -40.120 1.00 0.00 H new ATOM 0 HA ARG A 30 3.291 11.335 -38.905 1.00 0.00 H new ATOM 0 HB2 ARG A 30 4.065 10.398 -40.850 1.00 0.00 H new ATOM 0 HB3 ARG A 30 3.274 11.877 -41.358 1.00 0.00 H new ATOM 0 HG2 ARG A 30 5.490 12.968 -41.561 1.00 0.00 H new ATOM 0 HG3 ARG A 30 6.257 11.459 -41.107 1.00 0.00 H new ATOM 0 HD2 ARG A 30 4.389 11.779 -43.488 1.00 0.00 H new ATOM 0 HD3 ARG A 30 6.137 11.851 -43.593 1.00 0.00 H new ATOM 0 HE ARG A 30 5.876 9.447 -42.423 1.00 0.00 H new ATOM 0 HH11 ARG A 30 3.991 10.844 -45.107 1.00 0.00 H new ATOM 0 HH12 ARG A 30 3.662 9.270 -45.838 1.00 0.00 H new ATOM 0 HH21 ARG A 30 5.486 7.453 -43.416 1.00 0.00 H new ATOM 0 HH22 ARG A 30 4.506 7.362 -44.883 1.00 0.00 H new ATOM 488 N SER A 31 6.211 12.713 -38.645 1.00 0.00 N ATOM 489 CA SER A 31 7.466 12.649 -37.917 1.00 0.00 C ATOM 490 C SER A 31 7.181 12.590 -36.427 1.00 0.00 C ATOM 491 O SER A 31 7.880 11.922 -35.666 1.00 0.00 O ATOM 492 CB SER A 31 8.344 13.850 -38.260 1.00 0.00 C ATOM 493 OG SER A 31 8.602 13.883 -39.667 1.00 0.00 O ATOM 0 H SER A 31 6.054 13.589 -39.143 1.00 0.00 H new ATOM 0 HA SER A 31 8.008 11.749 -38.207 1.00 0.00 H new ATOM 0 HB2 SER A 31 7.851 14.771 -37.951 1.00 0.00 H new ATOM 0 HB3 SER A 31 9.284 13.792 -37.711 1.00 0.00 H new ATOM 0 HG SER A 31 7.797 14.180 -40.140 1.00 0.00 H new ATOM 499 N LEU A 32 6.091 13.222 -36.035 1.00 0.00 N ATOM 500 CA LEU A 32 5.686 13.252 -34.653 1.00 0.00 C ATOM 501 C LEU A 32 5.207 11.924 -34.198 1.00 0.00 C ATOM 502 O LEU A 32 5.346 11.575 -33.044 1.00 0.00 O ATOM 503 CB LEU A 32 4.583 14.240 -34.442 1.00 0.00 C ATOM 504 CG LEU A 32 4.918 15.683 -34.748 1.00 0.00 C ATOM 505 CD1 LEU A 32 3.855 16.606 -34.248 1.00 0.00 C ATOM 506 CD2 LEU A 32 6.299 16.057 -34.247 1.00 0.00 C ATOM 0 H LEU A 32 5.468 13.725 -36.666 1.00 0.00 H new ATOM 0 HA LEU A 32 6.565 13.540 -34.076 1.00 0.00 H new ATOM 0 HB2 LEU A 32 3.735 13.946 -35.060 1.00 0.00 H new ATOM 0 HB3 LEU A 32 4.258 14.175 -33.404 1.00 0.00 H new ATOM 0 HG LEU A 32 4.945 15.795 -35.832 1.00 0.00 H new ATOM 0 HD11 LEU A 32 4.126 17.635 -34.484 1.00 0.00 H new ATOM 0 HD12 LEU A 32 2.907 16.362 -34.727 1.00 0.00 H new ATOM 0 HD13 LEU A 32 3.755 16.495 -33.168 1.00 0.00 H new ATOM 0 HD21 LEU A 32 6.502 17.101 -34.486 1.00 0.00 H new ATOM 0 HD22 LEU A 32 6.345 15.916 -33.167 1.00 0.00 H new ATOM 0 HD23 LEU A 32 7.044 15.423 -34.727 1.00 0.00 H new ATOM 518 N MET A 33 4.620 11.196 -35.096 1.00 0.00 N ATOM 519 CA MET A 33 4.094 9.899 -34.798 1.00 0.00 C ATOM 520 C MET A 33 5.195 8.977 -34.311 1.00 0.00 C ATOM 521 O MET A 33 5.050 8.300 -33.307 1.00 0.00 O ATOM 522 CB MET A 33 3.492 9.289 -36.031 1.00 0.00 C ATOM 523 CG MET A 33 2.428 10.097 -36.677 1.00 0.00 C ATOM 524 SD MET A 33 1.829 9.277 -38.146 1.00 0.00 S ATOM 525 CE MET A 33 0.648 10.456 -38.729 1.00 0.00 C ATOM 0 H MET A 33 4.491 11.487 -36.065 1.00 0.00 H new ATOM 0 HA MET A 33 3.336 10.017 -34.023 1.00 0.00 H new ATOM 0 HB2 MET A 33 4.286 9.116 -36.757 1.00 0.00 H new ATOM 0 HB3 MET A 33 3.079 8.314 -35.771 1.00 0.00 H new ATOM 0 HG2 MET A 33 1.606 10.252 -35.979 1.00 0.00 H new ATOM 0 HG3 MET A 33 2.817 11.082 -36.936 1.00 0.00 H new ATOM 0 HE1 MET A 33 -0.051 9.966 -39.407 1.00 0.00 H new ATOM 0 HE2 MET A 33 0.102 10.873 -37.883 1.00 0.00 H new ATOM 0 HE3 MET A 33 1.164 11.257 -39.258 1.00 0.00 H new ATOM 535 N TYR A 34 6.291 8.985 -35.028 1.00 0.00 N ATOM 536 CA TYR A 34 7.428 8.129 -34.717 1.00 0.00 C ATOM 537 C TYR A 34 8.265 8.735 -33.614 1.00 0.00 C ATOM 538 O TYR A 34 9.179 8.112 -33.079 1.00 0.00 O ATOM 539 CB TYR A 34 8.241 7.898 -35.968 1.00 0.00 C ATOM 540 CG TYR A 34 7.389 7.354 -37.090 1.00 0.00 C ATOM 541 CD1 TYR A 34 6.641 6.194 -36.917 1.00 0.00 C ATOM 542 CD2 TYR A 34 7.291 8.020 -38.302 1.00 0.00 C ATOM 543 CE1 TYR A 34 5.841 5.718 -37.913 1.00 0.00 C ATOM 544 CE2 TYR A 34 6.478 7.542 -39.311 1.00 0.00 C ATOM 545 CZ TYR A 34 5.760 6.387 -39.105 1.00 0.00 C ATOM 546 OH TYR A 34 4.939 5.893 -40.098 1.00 0.00 O ATOM 0 H TYR A 34 6.428 9.581 -35.844 1.00 0.00 H new ATOM 0 HA TYR A 34 7.068 7.165 -34.357 1.00 0.00 H new ATOM 0 HB2 TYR A 34 8.702 8.835 -36.281 1.00 0.00 H new ATOM 0 HB3 TYR A 34 9.050 7.200 -35.753 1.00 0.00 H new ATOM 0 HD1 TYR A 34 6.695 5.662 -35.979 1.00 0.00 H new ATOM 0 HD2 TYR A 34 7.858 8.925 -38.459 1.00 0.00 H new ATOM 0 HE1 TYR A 34 5.271 4.813 -37.762 1.00 0.00 H new ATOM 0 HE2 TYR A 34 6.407 8.069 -40.251 1.00 0.00 H new ATOM 0 HH TYR A 34 4.065 6.334 -40.050 1.00 0.00 H new ATOM 556 N ASP A 35 7.995 9.977 -33.339 1.00 0.00 N ATOM 557 CA ASP A 35 8.550 10.660 -32.180 1.00 0.00 C ATOM 558 C ASP A 35 7.796 10.171 -30.947 1.00 0.00 C ATOM 559 O ASP A 35 8.338 10.054 -29.845 1.00 0.00 O ATOM 560 CB ASP A 35 8.391 12.168 -32.335 1.00 0.00 C ATOM 561 CG ASP A 35 8.954 12.931 -31.181 1.00 0.00 C ATOM 562 OD1 ASP A 35 10.193 13.019 -31.076 1.00 0.00 O ATOM 563 OD2 ASP A 35 8.182 13.483 -30.379 1.00 0.00 O ATOM 0 H ASP A 35 7.381 10.559 -33.909 1.00 0.00 H new ATOM 0 HA ASP A 35 9.614 10.443 -32.082 1.00 0.00 H new ATOM 0 HB2 ASP A 35 8.885 12.488 -33.252 1.00 0.00 H new ATOM 0 HB3 ASP A 35 7.333 12.408 -32.442 1.00 0.00 H new ATOM 568 N MET A 36 6.537 9.863 -31.170 1.00 0.00 N ATOM 569 CA MET A 36 5.678 9.278 -30.190 1.00 0.00 C ATOM 570 C MET A 36 5.746 7.740 -30.324 1.00 0.00 C ATOM 571 O MET A 36 6.745 7.205 -30.797 1.00 0.00 O ATOM 572 CB MET A 36 4.242 9.831 -30.349 1.00 0.00 C ATOM 573 CG MET A 36 4.108 11.301 -29.926 1.00 0.00 C ATOM 574 SD MET A 36 2.440 11.986 -30.153 1.00 0.00 S ATOM 575 CE MET A 36 2.346 12.154 -31.936 1.00 0.00 C ATOM 0 H MET A 36 6.079 10.021 -32.068 1.00 0.00 H new ATOM 0 HA MET A 36 6.003 9.540 -29.183 1.00 0.00 H new ATOM 0 HB2 MET A 36 3.934 9.730 -31.390 1.00 0.00 H new ATOM 0 HB3 MET A 36 3.559 9.225 -29.754 1.00 0.00 H new ATOM 0 HG2 MET A 36 4.388 11.393 -28.877 1.00 0.00 H new ATOM 0 HG3 MET A 36 4.816 11.899 -30.499 1.00 0.00 H new ATOM 0 HE1 MET A 36 1.455 12.723 -32.201 1.00 0.00 H new ATOM 0 HE2 MET A 36 3.231 12.676 -32.299 1.00 0.00 H new ATOM 0 HE3 MET A 36 2.294 11.165 -32.392 1.00 0.00 H new ATOM 585 N ASN A 37 4.716 7.035 -29.919 1.00 0.00 N ATOM 586 CA ASN A 37 4.754 5.551 -29.910 1.00 0.00 C ATOM 587 C ASN A 37 4.227 4.897 -31.180 1.00 0.00 C ATOM 588 O ASN A 37 4.127 3.669 -31.250 1.00 0.00 O ATOM 589 CB ASN A 37 4.026 4.952 -28.707 1.00 0.00 C ATOM 590 CG ASN A 37 4.806 4.947 -27.407 1.00 0.00 C ATOM 591 OD1 ASN A 37 5.572 5.970 -27.157 1.00 0.00 O flip ATOM 592 ND2 ASN A 37 4.666 4.032 -26.602 1.00 0.00 N flip ATOM 0 H ASN A 37 3.839 7.439 -29.590 1.00 0.00 H new ATOM 0 HA ASN A 37 5.819 5.327 -29.843 1.00 0.00 H new ATOM 0 HB2 ASN A 37 3.100 5.506 -28.552 1.00 0.00 H new ATOM 0 HB3 ASN A 37 3.748 3.926 -28.947 1.00 0.00 H new ATOM 0 HD21 ASN A 37 4.059 3.244 -26.826 1.00 0.00 H new ATOM 0 HD22 ASN A 37 5.157 4.060 -25.708 1.00 0.00 H new ATOM 599 N PHE A 38 3.828 5.691 -32.139 1.00 0.00 N ATOM 600 CA PHE A 38 3.283 5.166 -33.398 1.00 0.00 C ATOM 601 C PHE A 38 4.334 4.407 -34.225 1.00 0.00 C ATOM 602 O PHE A 38 5.541 4.617 -34.075 1.00 0.00 O ATOM 603 CB PHE A 38 2.698 6.282 -34.237 1.00 0.00 C ATOM 604 CG PHE A 38 1.585 7.008 -33.565 1.00 0.00 C ATOM 605 CD1 PHE A 38 1.850 8.095 -32.754 1.00 0.00 C ATOM 606 CD2 PHE A 38 0.278 6.600 -33.726 1.00 0.00 C ATOM 607 CE1 PHE A 38 0.845 8.760 -32.120 1.00 0.00 C ATOM 608 CE2 PHE A 38 -0.739 7.264 -33.086 1.00 0.00 C ATOM 609 CZ PHE A 38 -0.446 8.348 -32.282 1.00 0.00 C ATOM 0 H PHE A 38 3.864 6.709 -32.087 1.00 0.00 H new ATOM 0 HA PHE A 38 2.499 4.461 -33.122 1.00 0.00 H new ATOM 0 HB2 PHE A 38 3.487 6.992 -34.485 1.00 0.00 H new ATOM 0 HB3 PHE A 38 2.335 5.867 -35.178 1.00 0.00 H new ATOM 0 HD1 PHE A 38 2.871 8.422 -32.621 1.00 0.00 H new ATOM 0 HD2 PHE A 38 0.053 5.754 -34.359 1.00 0.00 H new ATOM 0 HE1 PHE A 38 1.068 9.610 -31.492 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -1.762 6.941 -33.211 1.00 0.00 H new ATOM 0 HZ PHE A 38 -1.244 8.873 -31.778 1.00 0.00 H new ATOM 619 N SER A 39 3.863 3.532 -35.082 1.00 0.00 N ATOM 620 CA SER A 39 4.706 2.730 -35.940 1.00 0.00 C ATOM 621 C SER A 39 4.167 2.723 -37.385 1.00 0.00 C ATOM 622 O SER A 39 3.035 3.171 -37.642 1.00 0.00 O ATOM 623 CB SER A 39 4.736 1.314 -35.414 1.00 0.00 C ATOM 624 OG SER A 39 5.141 1.279 -34.047 1.00 0.00 O ATOM 0 H SER A 39 2.866 3.354 -35.205 1.00 0.00 H new ATOM 0 HA SER A 39 5.710 3.155 -35.945 1.00 0.00 H new ATOM 0 HB2 SER A 39 3.748 0.865 -35.515 1.00 0.00 H new ATOM 0 HB3 SER A 39 5.421 0.715 -36.014 1.00 0.00 H new ATOM 0 HG SER A 39 5.150 0.351 -33.732 1.00 0.00 H new ATOM 630 N SER A 40 4.971 2.210 -38.305 1.00 0.00 N ATOM 631 CA SER A 40 4.643 2.151 -39.714 1.00 0.00 C ATOM 632 C SER A 40 4.159 0.761 -40.103 1.00 0.00 C ATOM 633 O SER A 40 3.508 0.585 -41.147 1.00 0.00 O ATOM 634 CB SER A 40 5.897 2.425 -40.500 1.00 0.00 C ATOM 635 OG SER A 40 6.585 3.554 -39.994 1.00 0.00 O ATOM 0 H SER A 40 5.886 1.817 -38.084 1.00 0.00 H new ATOM 0 HA SER A 40 3.859 2.880 -39.920 1.00 0.00 H new ATOM 0 HB2 SER A 40 6.549 1.553 -40.464 1.00 0.00 H new ATOM 0 HB3 SER A 40 5.644 2.590 -41.547 1.00 0.00 H new ATOM 0 HG SER A 40 5.952 4.290 -39.861 1.00 0.00 H new ATOM 641 N ILE A 41 4.535 -0.206 -39.310 1.00 0.00 N ATOM 642 CA ILE A 41 4.211 -1.599 -39.520 1.00 0.00 C ATOM 643 C ILE A 41 3.594 -2.155 -38.250 1.00 0.00 C ATOM 644 O ILE A 41 3.912 -1.693 -37.150 1.00 0.00 O ATOM 645 CB ILE A 41 5.509 -2.454 -39.898 1.00 0.00 C ATOM 646 CG1 ILE A 41 5.928 -2.337 -41.367 1.00 0.00 C ATOM 647 CG2 ILE A 41 5.423 -3.911 -39.507 1.00 0.00 C ATOM 648 CD1 ILE A 41 6.493 -1.015 -41.760 1.00 0.00 C ATOM 0 H ILE A 41 5.093 -0.045 -38.472 1.00 0.00 H new ATOM 0 HA ILE A 41 3.510 -1.669 -40.352 1.00 0.00 H new ATOM 0 HB ILE A 41 6.287 -1.992 -39.291 1.00 0.00 H new ATOM 0 HG12 ILE A 41 6.668 -3.109 -41.580 1.00 0.00 H new ATOM 0 HG13 ILE A 41 5.061 -2.545 -41.994 1.00 0.00 H new ATOM 0 HG21 ILE A 41 6.342 -4.421 -39.798 1.00 0.00 H new ATOM 0 HG22 ILE A 41 5.289 -3.991 -38.428 1.00 0.00 H new ATOM 0 HG23 ILE A 41 4.576 -4.374 -40.013 1.00 0.00 H new ATOM 0 HD11 ILE A 41 6.759 -1.033 -42.817 1.00 0.00 H new ATOM 0 HD12 ILE A 41 5.751 -0.236 -41.585 1.00 0.00 H new ATOM 0 HD13 ILE A 41 7.383 -0.808 -41.166 1.00 0.00 H new ATOM 660 N VAL A 42 2.703 -3.093 -38.408 1.00 0.00 N ATOM 661 CA VAL A 42 2.123 -3.823 -37.312 1.00 0.00 C ATOM 662 C VAL A 42 1.761 -5.202 -37.851 1.00 0.00 C ATOM 663 O VAL A 42 1.456 -5.342 -39.049 1.00 0.00 O ATOM 664 CB VAL A 42 0.868 -3.101 -36.710 1.00 0.00 C ATOM 665 CG1 VAL A 42 -0.241 -3.007 -37.717 1.00 0.00 C ATOM 666 CG2 VAL A 42 0.379 -3.779 -35.436 1.00 0.00 C ATOM 0 H VAL A 42 2.351 -3.379 -39.322 1.00 0.00 H new ATOM 0 HA VAL A 42 2.836 -3.894 -36.491 1.00 0.00 H new ATOM 0 HB VAL A 42 1.179 -2.090 -36.448 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -1.097 -2.502 -37.270 1.00 0.00 H new ATOM 0 HG12 VAL A 42 0.102 -2.442 -38.584 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -0.534 -4.009 -38.030 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -0.492 -3.247 -35.052 1.00 0.00 H new ATOM 0 HG22 VAL A 42 0.106 -4.811 -35.655 1.00 0.00 H new ATOM 0 HG23 VAL A 42 1.172 -3.764 -34.688 1.00 0.00 H new ATOM 676 N ALA A 43 1.869 -6.202 -37.035 1.00 0.00 N ATOM 677 CA ALA A 43 1.542 -7.531 -37.440 1.00 0.00 C ATOM 678 C ALA A 43 0.044 -7.719 -37.435 1.00 0.00 C ATOM 679 O ALA A 43 -0.654 -7.243 -36.525 1.00 0.00 O ATOM 680 CB ALA A 43 2.213 -8.549 -36.538 1.00 0.00 C ATOM 0 H ALA A 43 2.186 -6.120 -36.069 1.00 0.00 H new ATOM 0 HA ALA A 43 1.911 -7.687 -38.454 1.00 0.00 H new ATOM 0 HB1 ALA A 43 1.950 -9.555 -36.865 1.00 0.00 H new ATOM 0 HB2 ALA A 43 3.294 -8.423 -36.588 1.00 0.00 H new ATOM 0 HB3 ALA A 43 1.878 -8.402 -35.511 1.00 0.00 H new ATOM 686 N ASP A 44 -0.444 -8.386 -38.449 1.00 0.00 N ATOM 687 CA ASP A 44 -1.856 -8.693 -38.572 1.00 0.00 C ATOM 688 C ASP A 44 -2.213 -9.897 -37.693 1.00 0.00 C ATOM 689 O ASP A 44 -1.401 -10.337 -36.861 1.00 0.00 O ATOM 690 CB ASP A 44 -2.260 -8.938 -40.058 1.00 0.00 C ATOM 691 CG ASP A 44 -1.459 -10.026 -40.768 1.00 0.00 C ATOM 692 OD1 ASP A 44 -1.016 -10.986 -40.105 1.00 0.00 O ATOM 693 OD2 ASP A 44 -1.246 -9.920 -41.996 1.00 0.00 O ATOM 0 H ASP A 44 0.125 -8.736 -39.220 1.00 0.00 H new ATOM 0 HA ASP A 44 -2.424 -7.830 -38.224 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -3.317 -9.203 -40.094 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -2.146 -8.005 -40.609 1.00 0.00 H new ATOM 698 N GLU A 45 -3.405 -10.436 -37.883 1.00 0.00 N ATOM 699 CA GLU A 45 -3.896 -11.561 -37.082 1.00 0.00 C ATOM 700 C GLU A 45 -3.098 -12.839 -37.372 1.00 0.00 C ATOM 701 O GLU A 45 -3.073 -13.781 -36.561 1.00 0.00 O ATOM 702 CB GLU A 45 -5.375 -11.817 -37.386 1.00 0.00 C ATOM 703 CG GLU A 45 -5.618 -12.360 -38.786 1.00 0.00 C ATOM 704 CD GLU A 45 -7.067 -12.583 -39.089 1.00 0.00 C ATOM 705 OE1 GLU A 45 -7.629 -13.585 -38.647 1.00 0.00 O ATOM 706 OE2 GLU A 45 -7.663 -11.773 -39.789 1.00 0.00 O ATOM 0 H GLU A 45 -4.063 -10.113 -38.592 1.00 0.00 H new ATOM 0 HA GLU A 45 -3.772 -11.299 -36.031 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -5.771 -12.523 -36.656 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -5.930 -10.887 -37.264 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -5.204 -11.664 -39.516 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -5.080 -13.301 -38.902 1.00 0.00 H new ATOM 713 N TYR A 46 -2.452 -12.868 -38.524 1.00 0.00 N ATOM 714 CA TYR A 46 -1.729 -14.023 -38.951 1.00 0.00 C ATOM 715 C TYR A 46 -0.319 -13.937 -38.398 1.00 0.00 C ATOM 716 O TYR A 46 0.290 -14.946 -38.026 1.00 0.00 O ATOM 717 CB TYR A 46 -1.684 -14.086 -40.479 1.00 0.00 C ATOM 718 CG TYR A 46 -3.025 -13.875 -41.157 1.00 0.00 C ATOM 719 CD1 TYR A 46 -4.013 -14.845 -41.129 1.00 0.00 C ATOM 720 CD2 TYR A 46 -3.297 -12.690 -41.823 1.00 0.00 C ATOM 721 CE1 TYR A 46 -5.230 -14.637 -41.750 1.00 0.00 C ATOM 722 CE2 TYR A 46 -4.504 -12.475 -42.443 1.00 0.00 C ATOM 723 CZ TYR A 46 -5.468 -13.453 -42.407 1.00 0.00 C ATOM 724 OH TYR A 46 -6.685 -13.243 -43.022 1.00 0.00 O ATOM 0 H TYR A 46 -2.422 -12.087 -39.179 1.00 0.00 H new ATOM 0 HA TYR A 46 -2.223 -14.923 -38.585 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -0.985 -13.331 -40.841 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -1.288 -15.056 -40.779 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -3.830 -15.777 -40.615 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -2.543 -11.918 -41.855 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -5.992 -15.402 -41.719 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -4.694 -11.543 -42.955 1.00 0.00 H new ATOM 0 HH TYR A 46 -6.963 -12.313 -42.888 1.00 0.00 H new ATOM 734 N GLY A 47 0.169 -12.722 -38.330 1.00 0.00 N ATOM 735 CA GLY A 47 1.486 -12.459 -37.824 1.00 0.00 C ATOM 736 C GLY A 47 2.345 -11.782 -38.863 1.00 0.00 C ATOM 737 O GLY A 47 3.575 -11.691 -38.717 1.00 0.00 O ATOM 0 H GLY A 47 -0.340 -11.889 -38.626 1.00 0.00 H new ATOM 0 HA2 GLY A 47 1.418 -11.829 -36.937 1.00 0.00 H new ATOM 0 HA3 GLY A 47 1.953 -13.394 -37.515 1.00 0.00 H new ATOM 741 N ILE A 48 1.715 -11.290 -39.915 1.00 0.00 N ATOM 742 CA ILE A 48 2.431 -10.659 -40.983 1.00 0.00 C ATOM 743 C ILE A 48 2.555 -9.181 -40.713 1.00 0.00 C ATOM 744 O ILE A 48 1.568 -8.514 -40.395 1.00 0.00 O ATOM 745 CB ILE A 48 1.817 -10.942 -42.413 1.00 0.00 C ATOM 746 CG1 ILE A 48 2.260 -12.313 -42.951 1.00 0.00 C ATOM 747 CG2 ILE A 48 2.175 -9.855 -43.428 1.00 0.00 C ATOM 748 CD1 ILE A 48 1.830 -13.496 -42.126 1.00 0.00 C ATOM 0 H ILE A 48 0.703 -11.321 -40.043 1.00 0.00 H new ATOM 0 HA ILE A 48 3.426 -11.104 -41.009 1.00 0.00 H new ATOM 0 HB ILE A 48 0.735 -10.940 -42.283 1.00 0.00 H new ATOM 0 HG12 ILE A 48 1.868 -12.433 -43.961 1.00 0.00 H new ATOM 0 HG13 ILE A 48 3.347 -12.321 -43.029 1.00 0.00 H new ATOM 0 HG21 ILE A 48 1.729 -10.097 -44.393 1.00 0.00 H new ATOM 0 HG22 ILE A 48 1.793 -8.894 -43.082 1.00 0.00 H new ATOM 0 HG23 ILE A 48 3.258 -9.798 -43.533 1.00 0.00 H new ATOM 0 HD11 ILE A 48 2.192 -14.414 -42.590 1.00 0.00 H new ATOM 0 HD12 ILE A 48 2.244 -13.409 -41.122 1.00 0.00 H new ATOM 0 HD13 ILE A 48 0.742 -13.523 -42.068 1.00 0.00 H new ATOM 760 N PRO A 49 3.776 -8.665 -40.764 1.00 0.00 N ATOM 761 CA PRO A 49 4.039 -7.260 -40.555 1.00 0.00 C ATOM 762 C PRO A 49 3.568 -6.433 -41.753 1.00 0.00 C ATOM 763 O PRO A 49 4.213 -6.397 -42.812 1.00 0.00 O ATOM 764 CB PRO A 49 5.558 -7.194 -40.401 1.00 0.00 C ATOM 765 CG PRO A 49 6.077 -8.394 -41.112 1.00 0.00 C ATOM 766 CD PRO A 49 5.003 -9.434 -41.045 1.00 0.00 C ATOM 0 HA PRO A 49 3.513 -6.854 -39.691 1.00 0.00 H new ATOM 0 HB2 PRO A 49 5.958 -6.277 -40.834 1.00 0.00 H new ATOM 0 HB3 PRO A 49 5.848 -7.203 -39.350 1.00 0.00 H new ATOM 0 HG2 PRO A 49 6.320 -8.155 -42.147 1.00 0.00 H new ATOM 0 HG3 PRO A 49 6.994 -8.754 -40.645 1.00 0.00 H new ATOM 0 HD2 PRO A 49 4.922 -9.985 -41.982 1.00 0.00 H new ATOM 0 HD3 PRO A 49 5.204 -10.165 -40.262 1.00 0.00 H new ATOM 774 N ARG A 50 2.433 -5.836 -41.598 1.00 0.00 N ATOM 775 CA ARG A 50 1.815 -5.041 -42.629 1.00 0.00 C ATOM 776 C ARG A 50 2.250 -3.596 -42.522 1.00 0.00 C ATOM 777 O ARG A 50 2.539 -3.114 -41.430 1.00 0.00 O ATOM 778 CB ARG A 50 0.319 -5.078 -42.434 1.00 0.00 C ATOM 779 CG ARG A 50 -0.321 -6.445 -42.530 1.00 0.00 C ATOM 780 CD ARG A 50 -0.315 -6.967 -43.937 1.00 0.00 C ATOM 781 NE ARG A 50 -1.202 -8.120 -44.069 1.00 0.00 N ATOM 782 CZ ARG A 50 -2.153 -8.248 -45.003 1.00 0.00 C ATOM 783 NH1 ARG A 50 -2.426 -7.234 -45.835 1.00 0.00 N ATOM 784 NH2 ARG A 50 -2.845 -9.373 -45.085 1.00 0.00 N ATOM 0 H ARG A 50 1.891 -5.883 -40.735 1.00 0.00 H new ATOM 0 HA ARG A 50 2.106 -5.443 -43.599 1.00 0.00 H new ATOM 0 HB2 ARG A 50 0.088 -4.657 -41.456 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -0.142 -4.428 -43.178 1.00 0.00 H new ATOM 0 HG2 ARG A 50 0.211 -7.141 -41.882 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -1.347 -6.392 -42.167 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -0.630 -6.180 -44.622 1.00 0.00 H new ATOM 0 HD3 ARG A 50 0.699 -7.249 -44.220 1.00 0.00 H new ATOM 0 HE ARG A 50 -1.089 -8.883 -43.401 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -1.908 -6.358 -45.759 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -3.152 -7.338 -46.544 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -2.653 -10.138 -44.438 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -3.570 -9.475 -45.795 1.00 0.00 H new ATOM 798 N GLN A 51 2.269 -2.913 -43.641 1.00 0.00 N ATOM 799 CA GLN A 51 2.532 -1.493 -43.672 1.00 0.00 C ATOM 800 C GLN A 51 1.248 -0.771 -43.513 1.00 0.00 C ATOM 801 O GLN A 51 0.198 -1.216 -43.965 1.00 0.00 O ATOM 802 CB GLN A 51 3.160 -1.031 -44.973 1.00 0.00 C ATOM 803 CG GLN A 51 4.652 -1.199 -45.065 1.00 0.00 C ATOM 804 CD GLN A 51 5.418 0.094 -44.827 1.00 0.00 C ATOM 805 OE1 GLN A 51 6.461 0.322 -45.424 1.00 0.00 O ATOM 806 NE2 GLN A 51 4.993 0.877 -43.867 1.00 0.00 N ATOM 0 H GLN A 51 2.102 -3.326 -44.558 1.00 0.00 H new ATOM 0 HA GLN A 51 3.234 -1.282 -42.866 1.00 0.00 H new ATOM 0 HB2 GLN A 51 2.698 -1.579 -45.794 1.00 0.00 H new ATOM 0 HB3 GLN A 51 2.920 0.022 -45.118 1.00 0.00 H new ATOM 0 HG2 GLN A 51 4.973 -1.943 -44.336 1.00 0.00 H new ATOM 0 HG3 GLN A 51 4.907 -1.588 -46.051 1.00 0.00 H new ATOM 0 HE21 GLN A 51 4.120 0.665 -43.385 1.00 0.00 H new ATOM 0 HE22 GLN A 51 5.535 1.699 -43.602 1.00 0.00 H new ATOM 815 N LEU A 52 1.336 0.315 -42.879 1.00 0.00 N ATOM 816 CA LEU A 52 0.196 1.134 -42.584 1.00 0.00 C ATOM 817 C LEU A 52 0.212 2.374 -43.430 1.00 0.00 C ATOM 818 O LEU A 52 -0.819 2.983 -43.673 1.00 0.00 O ATOM 819 CB LEU A 52 0.315 1.482 -41.114 1.00 0.00 C ATOM 820 CG LEU A 52 0.452 0.244 -40.245 1.00 0.00 C ATOM 821 CD1 LEU A 52 0.782 0.599 -38.843 1.00 0.00 C ATOM 822 CD2 LEU A 52 -0.810 -0.594 -40.331 1.00 0.00 C ATOM 0 H LEU A 52 2.217 0.692 -42.530 1.00 0.00 H new ATOM 0 HA LEU A 52 -0.741 0.620 -42.797 1.00 0.00 H new ATOM 0 HB2 LEU A 52 1.180 2.128 -40.963 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -0.563 2.048 -40.803 1.00 0.00 H new ATOM 0 HG LEU A 52 1.283 -0.353 -40.621 1.00 0.00 H new ATOM 0 HD11 LEU A 52 0.873 -0.310 -38.249 1.00 0.00 H new ATOM 0 HD12 LEU A 52 1.726 1.144 -38.818 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -0.009 1.225 -38.430 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -0.702 -1.479 -39.705 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -1.661 -0.007 -39.986 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -0.975 -0.899 -41.365 1.00 0.00 H new ATOM 834 N ASN A 53 1.396 2.678 -43.939 1.00 0.00 N ATOM 835 CA ASN A 53 1.731 3.951 -44.641 1.00 0.00 C ATOM 836 C ASN A 53 1.032 4.163 -45.982 1.00 0.00 C ATOM 837 O ASN A 53 1.652 4.346 -47.031 1.00 0.00 O ATOM 838 CB ASN A 53 3.247 4.133 -44.753 1.00 0.00 C ATOM 839 CG ASN A 53 3.959 4.035 -43.415 1.00 0.00 C ATOM 840 OD1 ASN A 53 5.132 3.682 -43.348 1.00 0.00 O ATOM 841 ND2 ASN A 53 3.256 4.270 -42.337 1.00 0.00 N ATOM 0 H ASN A 53 2.189 2.039 -43.884 1.00 0.00 H new ATOM 0 HA ASN A 53 1.324 4.738 -44.006 1.00 0.00 H new ATOM 0 HB2 ASN A 53 3.649 3.377 -45.428 1.00 0.00 H new ATOM 0 HB3 ASN A 53 3.458 5.104 -45.200 1.00 0.00 H new ATOM 0 HD21 ASN A 53 3.682 4.161 -41.417 1.00 0.00 H new ATOM 0 HD22 ASN A 53 2.282 4.563 -42.417 1.00 0.00 H new ATOM 848 N GLU A 54 -0.233 4.076 -45.910 1.00 0.00 N ATOM 849 CA GLU A 54 -1.162 4.366 -46.946 1.00 0.00 C ATOM 850 C GLU A 54 -2.068 5.480 -46.438 1.00 0.00 C ATOM 851 O GLU A 54 -2.343 6.462 -47.125 1.00 0.00 O ATOM 852 CB GLU A 54 -2.066 3.177 -47.175 1.00 0.00 C ATOM 853 CG GLU A 54 -1.382 1.855 -47.324 1.00 0.00 C ATOM 854 CD GLU A 54 -2.394 0.751 -47.338 1.00 0.00 C ATOM 855 OE1 GLU A 54 -2.768 0.274 -46.256 1.00 0.00 O ATOM 856 OE2 GLU A 54 -2.889 0.377 -48.420 1.00 0.00 O ATOM 0 H GLU A 54 -0.697 3.774 -45.053 1.00 0.00 H new ATOM 0 HA GLU A 54 -0.622 4.625 -47.857 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -2.765 3.111 -46.341 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -2.657 3.362 -48.072 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -0.802 1.839 -48.247 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -0.680 1.705 -46.504 1.00 0.00 H new ATOM 863 N ASN A 55 -2.500 5.297 -45.196 1.00 0.00 N ATOM 864 CA ASN A 55 -3.496 6.125 -44.526 1.00 0.00 C ATOM 865 C ASN A 55 -3.470 5.880 -43.016 1.00 0.00 C ATOM 866 O ASN A 55 -3.707 6.793 -42.212 1.00 0.00 O ATOM 867 CB ASN A 55 -4.908 5.816 -45.118 1.00 0.00 C ATOM 868 CG ASN A 55 -6.021 5.608 -44.076 1.00 0.00 C ATOM 869 OD1 ASN A 55 -6.676 6.548 -43.643 1.00 0.00 O ATOM 870 ND2 ASN A 55 -6.261 4.364 -43.708 1.00 0.00 N ATOM 0 H ASN A 55 -2.154 4.540 -44.606 1.00 0.00 H new ATOM 0 HA ASN A 55 -3.264 7.177 -44.695 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -5.196 6.636 -45.776 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -4.838 4.921 -45.736 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -7.010 4.164 -43.045 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -5.698 3.602 -44.087 1.00 0.00 H new ATOM 877 N SER A 56 -3.191 4.659 -42.644 1.00 0.00 N ATOM 878 CA SER A 56 -3.186 4.258 -41.291 1.00 0.00 C ATOM 879 C SER A 56 -1.798 4.237 -40.694 1.00 0.00 C ATOM 880 O SER A 56 -0.794 4.370 -41.392 1.00 0.00 O ATOM 881 CB SER A 56 -3.814 2.889 -41.227 1.00 0.00 C ATOM 882 OG SER A 56 -3.218 2.059 -42.207 1.00 0.00 O ATOM 0 H SER A 56 -2.958 3.912 -43.298 1.00 0.00 H new ATOM 0 HA SER A 56 -3.750 4.980 -40.701 1.00 0.00 H new ATOM 0 HB2 SER A 56 -3.676 2.458 -40.235 1.00 0.00 H new ATOM 0 HB3 SER A 56 -4.888 2.960 -41.397 1.00 0.00 H new ATOM 0 HG SER A 56 -3.767 1.257 -42.334 1.00 0.00 H new ATOM 888 N PHE A 57 -1.765 4.139 -39.392 1.00 0.00 N ATOM 889 CA PHE A 57 -0.572 3.979 -38.614 1.00 0.00 C ATOM 890 C PHE A 57 -1.003 3.250 -37.357 1.00 0.00 C ATOM 891 O PHE A 57 -2.195 3.226 -37.061 1.00 0.00 O ATOM 892 CB PHE A 57 0.062 5.324 -38.239 1.00 0.00 C ATOM 893 CG PHE A 57 0.386 6.237 -39.399 1.00 0.00 C ATOM 894 CD1 PHE A 57 1.605 6.148 -40.040 1.00 0.00 C ATOM 895 CD2 PHE A 57 -0.543 7.162 -39.862 1.00 0.00 C ATOM 896 CE1 PHE A 57 1.901 6.962 -41.118 1.00 0.00 C ATOM 897 CE2 PHE A 57 -0.254 7.973 -40.945 1.00 0.00 C ATOM 898 CZ PHE A 57 0.972 7.873 -41.572 1.00 0.00 C ATOM 0 H PHE A 57 -2.610 4.170 -38.821 1.00 0.00 H new ATOM 0 HA PHE A 57 0.182 3.435 -39.183 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -0.614 5.849 -37.564 1.00 0.00 H new ATOM 0 HB3 PHE A 57 0.980 5.131 -37.684 1.00 0.00 H new ATOM 0 HD1 PHE A 57 2.337 5.433 -39.695 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -1.501 7.248 -39.371 1.00 0.00 H new ATOM 0 HE1 PHE A 57 2.862 6.884 -41.605 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -0.986 8.683 -41.299 1.00 0.00 H new ATOM 0 HZ PHE A 57 1.202 8.507 -42.416 1.00 0.00 H new ATOM 908 N ALA A 58 -0.090 2.665 -36.634 1.00 0.00 N ATOM 909 CA ALA A 58 -0.448 1.902 -35.448 1.00 0.00 C ATOM 910 C ALA A 58 0.323 2.389 -34.276 1.00 0.00 C ATOM 911 O ALA A 58 1.274 3.130 -34.436 1.00 0.00 O ATOM 912 CB ALA A 58 -0.203 0.410 -35.642 1.00 0.00 C ATOM 0 H ALA A 58 0.909 2.695 -36.836 1.00 0.00 H new ATOM 0 HA ALA A 58 -1.514 2.047 -35.272 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -0.482 -0.126 -34.735 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -0.804 0.048 -36.477 1.00 0.00 H new ATOM 0 HB3 ALA A 58 0.852 0.239 -35.854 1.00 0.00 H new ATOM 918 N ILE A 59 -0.088 1.990 -33.111 1.00 0.00 N ATOM 919 CA ILE A 59 0.566 2.371 -31.904 1.00 0.00 C ATOM 920 C ILE A 59 0.339 1.303 -30.825 1.00 0.00 C ATOM 921 O ILE A 59 -0.699 0.628 -30.829 1.00 0.00 O ATOM 922 CB ILE A 59 0.056 3.762 -31.444 1.00 0.00 C ATOM 923 CG1 ILE A 59 0.829 4.232 -30.223 1.00 0.00 C ATOM 924 CG2 ILE A 59 -1.458 3.739 -31.167 1.00 0.00 C ATOM 925 CD1 ILE A 59 0.681 5.694 -29.952 1.00 0.00 C ATOM 0 H ILE A 59 -0.897 1.384 -32.974 1.00 0.00 H new ATOM 0 HA ILE A 59 1.639 2.447 -32.079 1.00 0.00 H new ATOM 0 HB ILE A 59 0.228 4.472 -32.253 1.00 0.00 H new ATOM 0 HG12 ILE A 59 0.491 3.673 -29.351 1.00 0.00 H new ATOM 0 HG13 ILE A 59 1.885 4.001 -30.360 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -1.784 4.728 -30.847 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -1.990 3.458 -32.076 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -1.673 3.014 -30.382 1.00 0.00 H new ATOM 0 HD11 ILE A 59 1.259 5.960 -29.067 1.00 0.00 H new ATOM 0 HD12 ILE A 59 1.046 6.262 -30.808 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -0.370 5.928 -29.783 1.00 0.00 H new ATOM 937 N THR A 60 1.302 1.134 -29.937 1.00 0.00 N ATOM 938 CA THR A 60 1.199 0.158 -28.864 1.00 0.00 C ATOM 939 C THR A 60 0.846 0.870 -27.536 1.00 0.00 C ATOM 940 O THR A 60 1.201 0.421 -26.450 1.00 0.00 O ATOM 941 CB THR A 60 2.529 -0.668 -28.721 1.00 0.00 C ATOM 942 OG1 THR A 60 2.328 -1.773 -27.823 1.00 0.00 O ATOM 943 CG2 THR A 60 3.672 0.190 -28.180 1.00 0.00 C ATOM 0 H THR A 60 2.173 1.665 -29.938 1.00 0.00 H new ATOM 0 HA THR A 60 0.401 -0.544 -29.109 1.00 0.00 H new ATOM 0 HB THR A 60 2.796 -1.025 -29.716 1.00 0.00 H new ATOM 0 HG1 THR A 60 1.737 -1.497 -27.092 1.00 0.00 H new ATOM 0 HG21 THR A 60 4.574 -0.417 -28.095 1.00 0.00 H new ATOM 0 HG22 THR A 60 3.856 1.021 -28.860 1.00 0.00 H new ATOM 0 HG23 THR A 60 3.402 0.578 -27.198 1.00 0.00 H new ATOM 951 N THR A 61 0.057 1.906 -27.633 1.00 0.00 N ATOM 952 CA THR A 61 -0.280 2.690 -26.481 1.00 0.00 C ATOM 953 C THR A 61 -1.366 1.976 -25.664 1.00 0.00 C ATOM 954 O THR A 61 -2.033 1.059 -26.149 1.00 0.00 O ATOM 955 CB THR A 61 -0.770 4.102 -26.881 1.00 0.00 C ATOM 956 OG1 THR A 61 -0.836 4.928 -25.721 1.00 0.00 O ATOM 957 CG2 THR A 61 -2.155 4.032 -27.517 1.00 0.00 C ATOM 0 H THR A 61 -0.365 2.226 -28.504 1.00 0.00 H new ATOM 0 HA THR A 61 0.620 2.803 -25.877 1.00 0.00 H new ATOM 0 HB THR A 61 -0.068 4.519 -27.603 1.00 0.00 H new ATOM 0 HG1 THR A 61 -0.844 5.870 -25.990 1.00 0.00 H new ATOM 0 HG21 THR A 61 -2.481 5.035 -27.791 1.00 0.00 H new ATOM 0 HG22 THR A 61 -2.114 3.408 -28.409 1.00 0.00 H new ATOM 0 HG23 THR A 61 -2.861 3.603 -26.806 1.00 0.00 H new ATOM 965 N SER A 62 -1.528 2.382 -24.451 1.00 0.00 N ATOM 966 CA SER A 62 -2.468 1.771 -23.584 1.00 0.00 C ATOM 967 C SER A 62 -3.636 2.715 -23.273 1.00 0.00 C ATOM 968 O SER A 62 -4.585 2.338 -22.573 1.00 0.00 O ATOM 969 CB SER A 62 -1.736 1.381 -22.330 1.00 0.00 C ATOM 970 OG SER A 62 -1.019 2.499 -21.810 1.00 0.00 O ATOM 0 H SER A 62 -1.007 3.153 -24.033 1.00 0.00 H new ATOM 0 HA SER A 62 -2.902 0.891 -24.059 1.00 0.00 H new ATOM 0 HB2 SER A 62 -2.444 1.016 -21.586 1.00 0.00 H new ATOM 0 HB3 SER A 62 -1.046 0.564 -22.542 1.00 0.00 H new ATOM 0 HG SER A 62 -0.548 2.234 -20.993 1.00 0.00 H new ATOM 976 N LEU A 63 -3.547 3.932 -23.778 1.00 0.00 N ATOM 977 CA LEU A 63 -4.582 4.929 -23.575 1.00 0.00 C ATOM 978 C LEU A 63 -5.775 4.693 -24.470 1.00 0.00 C ATOM 979 O LEU A 63 -5.799 3.749 -25.267 1.00 0.00 O ATOM 980 CB LEU A 63 -4.022 6.370 -23.686 1.00 0.00 C ATOM 981 CG LEU A 63 -3.124 6.701 -24.877 1.00 0.00 C ATOM 982 CD1 LEU A 63 -3.879 6.902 -26.148 1.00 0.00 C ATOM 983 CD2 LEU A 63 -2.196 7.860 -24.575 1.00 0.00 C ATOM 0 H LEU A 63 -2.759 4.256 -24.338 1.00 0.00 H new ATOM 0 HA LEU A 63 -4.943 4.819 -22.553 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -4.868 7.057 -23.705 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -3.461 6.581 -22.776 1.00 0.00 H new ATOM 0 HG LEU A 63 -2.503 5.820 -25.041 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -3.181 7.134 -26.953 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -4.427 5.992 -26.393 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -4.581 7.727 -26.028 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -1.574 8.065 -25.446 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -2.785 8.745 -24.334 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -1.560 7.606 -23.727 1.00 0.00 H new ATOM 995 N ALA A 64 -6.756 5.526 -24.349 1.00 0.00 N ATOM 996 CA ALA A 64 -7.956 5.325 -25.088 1.00 0.00 C ATOM 997 C ALA A 64 -7.946 6.063 -26.413 1.00 0.00 C ATOM 998 O ALA A 64 -7.100 6.915 -26.647 1.00 0.00 O ATOM 999 CB ALA A 64 -9.167 5.686 -24.269 1.00 0.00 C ATOM 0 H ALA A 64 -6.750 6.349 -23.747 1.00 0.00 H new ATOM 0 HA ALA A 64 -8.012 4.261 -25.320 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -10.068 5.522 -24.860 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -9.201 5.063 -23.375 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -9.110 6.735 -23.978 1.00 0.00 H new ATOM 1005 N ALA A 65 -8.924 5.752 -27.252 1.00 0.00 N ATOM 1006 CA ALA A 65 -9.065 6.326 -28.587 1.00 0.00 C ATOM 1007 C ALA A 65 -9.122 7.837 -28.540 1.00 0.00 C ATOM 1008 O ALA A 65 -8.423 8.523 -29.292 1.00 0.00 O ATOM 1009 CB ALA A 65 -10.303 5.765 -29.271 1.00 0.00 C ATOM 0 H ALA A 65 -9.657 5.081 -27.021 1.00 0.00 H new ATOM 0 HA ALA A 65 -8.184 6.049 -29.166 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -10.398 6.200 -30.266 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -10.213 4.682 -29.356 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -11.187 6.010 -28.682 1.00 0.00 H new ATOM 1015 N SER A 66 -9.905 8.340 -27.615 1.00 0.00 N ATOM 1016 CA SER A 66 -10.073 9.754 -27.411 1.00 0.00 C ATOM 1017 C SER A 66 -8.736 10.406 -27.027 1.00 0.00 C ATOM 1018 O SER A 66 -8.473 11.562 -27.372 1.00 0.00 O ATOM 1019 CB SER A 66 -11.085 9.944 -26.301 1.00 0.00 C ATOM 1020 OG SER A 66 -12.212 9.105 -26.519 1.00 0.00 O ATOM 0 H SER A 66 -10.451 7.765 -26.973 1.00 0.00 H new ATOM 0 HA SER A 66 -10.421 10.227 -28.329 1.00 0.00 H new ATOM 0 HB2 SER A 66 -10.629 9.711 -25.339 1.00 0.00 H new ATOM 0 HB3 SER A 66 -11.400 10.987 -26.260 1.00 0.00 H new ATOM 0 HG SER A 66 -12.860 9.233 -25.795 1.00 0.00 H new ATOM 1026 N GLU A 67 -7.861 9.619 -26.400 1.00 0.00 N ATOM 1027 CA GLU A 67 -6.605 10.115 -25.932 1.00 0.00 C ATOM 1028 C GLU A 67 -5.641 10.187 -27.066 1.00 0.00 C ATOM 1029 O GLU A 67 -4.935 11.160 -27.193 1.00 0.00 O ATOM 1030 CB GLU A 67 -6.041 9.257 -24.802 1.00 0.00 C ATOM 1031 CG GLU A 67 -6.717 9.448 -23.471 1.00 0.00 C ATOM 1032 CD GLU A 67 -6.483 10.840 -22.938 1.00 0.00 C ATOM 1033 OE1 GLU A 67 -5.343 11.153 -22.532 1.00 0.00 O ATOM 1034 OE2 GLU A 67 -7.428 11.642 -22.896 1.00 0.00 O ATOM 0 H GLU A 67 -8.019 8.629 -26.212 1.00 0.00 H new ATOM 0 HA GLU A 67 -6.765 11.114 -25.527 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -6.119 8.208 -25.087 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -4.980 9.479 -24.690 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -7.787 9.270 -23.574 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -6.339 8.714 -22.759 1.00 0.00 H new ATOM 1041 N ILE A 68 -5.630 9.151 -27.914 1.00 0.00 N ATOM 1042 CA ILE A 68 -4.738 9.141 -29.078 1.00 0.00 C ATOM 1043 C ILE A 68 -5.028 10.350 -29.934 1.00 0.00 C ATOM 1044 O ILE A 68 -4.116 11.056 -30.342 1.00 0.00 O ATOM 1045 CB ILE A 68 -4.886 7.898 -29.980 1.00 0.00 C ATOM 1046 CG1 ILE A 68 -5.289 6.666 -29.183 1.00 0.00 C ATOM 1047 CG2 ILE A 68 -3.582 7.659 -30.708 1.00 0.00 C ATOM 1048 CD1 ILE A 68 -5.121 5.353 -29.888 1.00 0.00 C ATOM 0 H ILE A 68 -6.218 8.323 -27.819 1.00 0.00 H new ATOM 0 HA ILE A 68 -3.726 9.139 -28.674 1.00 0.00 H new ATOM 0 HB ILE A 68 -5.683 8.084 -30.700 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -4.703 6.642 -28.264 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -6.334 6.770 -28.891 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -3.678 6.782 -31.348 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -3.341 8.529 -31.319 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -2.785 7.493 -29.983 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -5.437 4.544 -29.230 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -5.730 5.345 -30.792 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -4.073 5.215 -30.155 1.00 0.00 H new ATOM 1060 N GLU A 69 -6.312 10.599 -30.180 1.00 0.00 N ATOM 1061 CA GLU A 69 -6.710 11.771 -30.928 1.00 0.00 C ATOM 1062 C GLU A 69 -6.233 13.025 -30.245 1.00 0.00 C ATOM 1063 O GLU A 69 -5.630 13.855 -30.873 1.00 0.00 O ATOM 1064 CB GLU A 69 -8.214 11.837 -31.164 1.00 0.00 C ATOM 1065 CG GLU A 69 -8.709 10.855 -32.189 1.00 0.00 C ATOM 1066 CD GLU A 69 -10.194 10.867 -32.355 1.00 0.00 C ATOM 1067 OE1 GLU A 69 -10.724 11.822 -32.939 1.00 0.00 O ATOM 1068 OE2 GLU A 69 -10.862 9.926 -31.909 1.00 0.00 O ATOM 0 H GLU A 69 -7.083 10.006 -29.872 1.00 0.00 H new ATOM 0 HA GLU A 69 -6.236 11.692 -31.907 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -8.729 11.655 -30.221 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -8.479 12.845 -31.482 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -8.242 11.077 -33.149 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -8.391 9.852 -31.904 1.00 0.00 H new ATOM 1075 N ASP A 70 -6.456 13.117 -28.947 1.00 0.00 N ATOM 1076 CA ASP A 70 -6.040 14.286 -28.154 1.00 0.00 C ATOM 1077 C ASP A 70 -4.540 14.528 -28.266 1.00 0.00 C ATOM 1078 O ASP A 70 -4.105 15.663 -28.488 1.00 0.00 O ATOM 1079 CB ASP A 70 -6.490 14.137 -26.699 1.00 0.00 C ATOM 1080 CG ASP A 70 -6.002 15.234 -25.786 1.00 0.00 C ATOM 1081 OD1 ASP A 70 -6.336 16.407 -26.004 1.00 0.00 O ATOM 1082 OD2 ASP A 70 -5.282 14.923 -24.810 1.00 0.00 O ATOM 0 H ASP A 70 -6.927 12.394 -28.404 1.00 0.00 H new ATOM 0 HA ASP A 70 -6.532 15.169 -28.562 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -7.579 14.111 -26.668 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -6.138 13.179 -26.318 1.00 0.00 H new ATOM 1087 N LEU A 71 -3.774 13.448 -28.174 1.00 0.00 N ATOM 1088 CA LEU A 71 -2.330 13.466 -28.376 1.00 0.00 C ATOM 1089 C LEU A 71 -1.997 14.107 -29.715 1.00 0.00 C ATOM 1090 O LEU A 71 -1.238 15.066 -29.791 1.00 0.00 O ATOM 1091 CB LEU A 71 -1.766 12.026 -28.363 1.00 0.00 C ATOM 1092 CG LEU A 71 -1.109 11.523 -27.077 1.00 0.00 C ATOM 1093 CD1 LEU A 71 -2.109 11.386 -25.951 1.00 0.00 C ATOM 1094 CD2 LEU A 71 -0.405 10.206 -27.345 1.00 0.00 C ATOM 0 H LEU A 71 -4.143 12.523 -27.954 1.00 0.00 H new ATOM 0 HA LEU A 71 -1.881 14.042 -27.567 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -2.581 11.346 -28.609 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -1.032 11.948 -29.165 1.00 0.00 H new ATOM 0 HG LEU A 71 -0.374 12.261 -26.757 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -1.602 11.026 -25.056 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -2.562 12.356 -25.746 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -2.885 10.677 -26.238 1.00 0.00 H new ATOM 0 HD21 LEU A 71 0.062 9.850 -26.427 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -1.130 9.470 -27.692 1.00 0.00 H new ATOM 0 HD23 LEU A 71 0.359 10.351 -28.109 1.00 0.00 H new ATOM 1106 N ILE A 72 -2.631 13.619 -30.746 1.00 0.00 N ATOM 1107 CA ILE A 72 -2.360 14.058 -32.091 1.00 0.00 C ATOM 1108 C ILE A 72 -2.879 15.482 -32.326 1.00 0.00 C ATOM 1109 O ILE A 72 -2.237 16.283 -33.010 1.00 0.00 O ATOM 1110 CB ILE A 72 -2.981 13.065 -33.090 1.00 0.00 C ATOM 1111 CG1 ILE A 72 -2.329 11.700 -32.894 1.00 0.00 C ATOM 1112 CG2 ILE A 72 -2.798 13.538 -34.531 1.00 0.00 C ATOM 1113 CD1 ILE A 72 -3.165 10.567 -33.382 1.00 0.00 C ATOM 0 H ILE A 72 -3.354 12.902 -30.678 1.00 0.00 H new ATOM 0 HA ILE A 72 -1.281 14.083 -32.244 1.00 0.00 H new ATOM 0 HB ILE A 72 -4.053 12.998 -32.903 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -1.371 11.685 -33.415 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -2.118 11.556 -31.834 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -3.248 12.815 -35.211 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -3.281 14.507 -34.660 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -1.735 13.631 -34.751 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -2.640 9.627 -33.211 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -4.113 10.556 -32.844 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -3.355 10.688 -34.449 1.00 0.00 H new ATOM 1125 N ARG A 73 -4.006 15.815 -31.712 1.00 0.00 N ATOM 1126 CA ARG A 73 -4.585 17.123 -31.897 1.00 0.00 C ATOM 1127 C ARG A 73 -3.722 18.202 -31.252 1.00 0.00 C ATOM 1128 O ARG A 73 -3.610 19.310 -31.775 1.00 0.00 O ATOM 1129 CB ARG A 73 -6.026 17.225 -31.389 1.00 0.00 C ATOM 1130 CG ARG A 73 -6.981 16.226 -32.018 1.00 0.00 C ATOM 1131 CD ARG A 73 -7.057 16.261 -33.548 1.00 0.00 C ATOM 1132 NE ARG A 73 -7.338 17.600 -34.106 1.00 0.00 N ATOM 1133 CZ ARG A 73 -7.695 17.853 -35.382 1.00 0.00 C ATOM 1134 NH1 ARG A 73 -8.087 16.863 -36.183 1.00 0.00 N ATOM 1135 NH2 ARG A 73 -7.727 19.110 -35.822 1.00 0.00 N ATOM 0 H ARG A 73 -4.528 15.199 -31.089 1.00 0.00 H new ATOM 0 HA ARG A 73 -4.617 17.285 -32.974 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -6.029 17.083 -30.308 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -6.396 18.233 -31.579 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -6.686 15.223 -31.709 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -7.979 16.402 -31.618 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -6.113 15.899 -33.957 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -7.833 15.571 -33.879 1.00 0.00 H new ATOM 0 HE ARG A 73 -7.255 18.397 -33.475 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -8.119 15.906 -35.833 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -8.355 17.063 -37.147 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -7.482 19.876 -35.195 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -7.996 19.306 -36.786 1.00 0.00 H new ATOM 1149 N LEU A 74 -3.057 17.878 -30.136 1.00 0.00 N ATOM 1150 CA LEU A 74 -2.230 18.871 -29.477 1.00 0.00 C ATOM 1151 C LEU A 74 -0.855 18.947 -30.130 1.00 0.00 C ATOM 1152 O LEU A 74 -0.139 19.928 -29.997 1.00 0.00 O ATOM 1153 CB LEU A 74 -2.206 18.689 -27.928 1.00 0.00 C ATOM 1154 CG LEU A 74 -1.670 17.376 -27.340 1.00 0.00 C ATOM 1155 CD1 LEU A 74 -0.164 17.384 -27.252 1.00 0.00 C ATOM 1156 CD2 LEU A 74 -2.281 17.117 -25.978 1.00 0.00 C ATOM 0 H LEU A 74 -3.079 16.962 -29.688 1.00 0.00 H new ATOM 0 HA LEU A 74 -2.684 19.852 -29.621 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -1.613 19.503 -27.510 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -3.226 18.819 -27.566 1.00 0.00 H new ATOM 0 HG LEU A 74 -1.958 16.568 -28.013 1.00 0.00 H new ATOM 0 HD11 LEU A 74 0.181 16.439 -26.831 1.00 0.00 H new ATOM 0 HD12 LEU A 74 0.258 17.513 -28.249 1.00 0.00 H new ATOM 0 HD13 LEU A 74 0.159 18.205 -26.612 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -1.890 16.182 -25.576 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -2.029 17.936 -25.304 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -3.365 17.046 -26.073 1.00 0.00 H new ATOM 1168 N LYS A 75 -0.525 17.917 -30.901 1.00 0.00 N ATOM 1169 CA LYS A 75 0.709 17.893 -31.680 1.00 0.00 C ATOM 1170 C LYS A 75 0.554 18.729 -32.935 1.00 0.00 C ATOM 1171 O LYS A 75 1.527 19.079 -33.596 1.00 0.00 O ATOM 1172 CB LYS A 75 1.126 16.457 -32.039 1.00 0.00 C ATOM 1173 CG LYS A 75 2.173 15.838 -31.112 1.00 0.00 C ATOM 1174 CD LYS A 75 1.731 15.844 -29.677 1.00 0.00 C ATOM 1175 CE LYS A 75 2.740 15.202 -28.760 1.00 0.00 C ATOM 1176 NZ LYS A 75 4.029 15.942 -28.725 1.00 0.00 N ATOM 0 H LYS A 75 -1.100 17.081 -31.004 1.00 0.00 H new ATOM 0 HA LYS A 75 1.500 18.321 -31.063 1.00 0.00 H new ATOM 0 HB2 LYS A 75 0.238 15.825 -32.033 1.00 0.00 H new ATOM 0 HB3 LYS A 75 1.515 16.451 -33.057 1.00 0.00 H new ATOM 0 HG2 LYS A 75 2.373 14.813 -31.425 1.00 0.00 H new ATOM 0 HG3 LYS A 75 3.109 16.388 -31.205 1.00 0.00 H new ATOM 0 HD2 LYS A 75 1.557 16.872 -29.358 1.00 0.00 H new ATOM 0 HD3 LYS A 75 0.780 15.318 -29.591 1.00 0.00 H new ATOM 0 HE2 LYS A 75 2.328 15.148 -27.752 1.00 0.00 H new ATOM 0 HE3 LYS A 75 2.922 14.178 -29.085 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 4.632 15.554 -27.972 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 4.512 15.842 -29.641 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 3.846 16.949 -28.538 1.00 0.00 H new ATOM 1190 N CYS A 76 -0.672 19.092 -33.235 1.00 0.00 N ATOM 1191 CA CYS A 76 -0.959 19.906 -34.388 1.00 0.00 C ATOM 1192 C CYS A 76 -0.539 21.359 -34.146 1.00 0.00 C ATOM 1193 O CYS A 76 -0.523 22.175 -35.060 1.00 0.00 O ATOM 1194 CB CYS A 76 -2.434 19.817 -34.737 1.00 0.00 C ATOM 1195 SG CYS A 76 -2.938 20.759 -36.194 1.00 0.00 S ATOM 0 H CYS A 76 -1.493 18.832 -32.688 1.00 0.00 H new ATOM 0 HA CYS A 76 -0.382 19.530 -35.233 1.00 0.00 H new ATOM 0 HB2 CYS A 76 -2.691 18.770 -34.895 1.00 0.00 H new ATOM 0 HB3 CYS A 76 -3.015 20.163 -33.882 1.00 0.00 H new ATOM 0 HG CYS A 76 -2.152 21.784 -36.341 1.00 0.00 H new ATOM 1201 N LEU A 77 -0.195 21.670 -32.912 1.00 0.00 N ATOM 1202 CA LEU A 77 0.262 22.994 -32.566 1.00 0.00 C ATOM 1203 C LEU A 77 1.747 23.129 -32.913 1.00 0.00 C ATOM 1204 O LEU A 77 2.269 24.234 -33.058 1.00 0.00 O ATOM 1205 CB LEU A 77 0.038 23.252 -31.072 1.00 0.00 C ATOM 1206 CG LEU A 77 -1.394 23.033 -30.555 1.00 0.00 C ATOM 1207 CD1 LEU A 77 -1.485 23.348 -29.074 1.00 0.00 C ATOM 1208 CD2 LEU A 77 -2.399 23.861 -31.345 1.00 0.00 C ATOM 0 H LEU A 77 -0.225 21.016 -32.130 1.00 0.00 H new ATOM 0 HA LEU A 77 -0.304 23.732 -33.134 1.00 0.00 H new ATOM 0 HB2 LEU A 77 0.709 22.605 -30.508 1.00 0.00 H new ATOM 0 HB3 LEU A 77 0.328 24.280 -30.854 1.00 0.00 H new ATOM 0 HG LEU A 77 -1.642 21.981 -30.698 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -2.506 23.186 -28.730 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -0.808 22.696 -28.521 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -1.206 24.388 -28.905 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -3.402 23.684 -30.956 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -2.154 24.919 -31.250 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -2.362 23.573 -32.396 1.00 0.00 H new ATOM 1220 N ASP A 78 2.399 21.985 -33.085 1.00 0.00 N ATOM 1221 CA ASP A 78 3.834 21.915 -33.390 1.00 0.00 C ATOM 1222 C ASP A 78 4.036 22.113 -34.865 1.00 0.00 C ATOM 1223 O ASP A 78 5.047 22.667 -35.329 1.00 0.00 O ATOM 1224 CB ASP A 78 4.344 20.544 -33.017 1.00 0.00 C ATOM 1225 CG ASP A 78 5.860 20.440 -33.008 1.00 0.00 C ATOM 1226 OD1 ASP A 78 6.521 21.203 -32.264 1.00 0.00 O ATOM 1227 OD2 ASP A 78 6.422 19.585 -33.734 1.00 0.00 O ATOM 0 H ASP A 78 1.950 21.072 -33.018 1.00 0.00 H new ATOM 0 HA ASP A 78 4.367 22.685 -32.833 1.00 0.00 H new ATOM 0 HB2 ASP A 78 3.964 20.281 -32.030 1.00 0.00 H new ATOM 0 HB3 ASP A 78 3.942 19.813 -33.719 1.00 0.00 H new ATOM 1232 N LEU A 79 3.080 21.633 -35.602 1.00 0.00 N ATOM 1233 CA LEU A 79 3.085 21.776 -37.045 1.00 0.00 C ATOM 1234 C LEU A 79 2.466 23.134 -37.425 1.00 0.00 C ATOM 1235 O LEU A 79 1.770 23.736 -36.603 1.00 0.00 O ATOM 1236 CB LEU A 79 2.340 20.571 -37.689 1.00 0.00 C ATOM 1237 CG LEU A 79 0.831 20.419 -37.418 1.00 0.00 C ATOM 1238 CD1 LEU A 79 -0.006 21.340 -38.282 1.00 0.00 C ATOM 1239 CD2 LEU A 79 0.397 18.982 -37.571 1.00 0.00 C ATOM 0 H LEU A 79 2.273 21.131 -35.231 1.00 0.00 H new ATOM 0 HA LEU A 79 4.104 21.766 -37.431 1.00 0.00 H new ATOM 0 HB2 LEU A 79 2.480 20.631 -38.768 1.00 0.00 H new ATOM 0 HB3 LEU A 79 2.832 19.658 -37.354 1.00 0.00 H new ATOM 0 HG LEU A 79 0.661 20.719 -36.384 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -1.062 21.194 -38.053 1.00 0.00 H new ATOM 0 HD12 LEU A 79 0.269 22.376 -38.082 1.00 0.00 H new ATOM 0 HD13 LEU A 79 0.172 21.114 -39.333 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -0.672 18.902 -37.374 1.00 0.00 H new ATOM 0 HD22 LEU A 79 0.605 18.645 -38.586 1.00 0.00 H new ATOM 0 HD23 LEU A 79 0.944 18.359 -36.863 1.00 0.00 H new ATOM 1251 N PRO A 80 2.736 23.650 -38.650 1.00 0.00 N ATOM 1252 CA PRO A 80 2.163 24.917 -39.110 1.00 0.00 C ATOM 1253 C PRO A 80 0.623 24.898 -39.119 1.00 0.00 C ATOM 1254 O PRO A 80 -0.013 25.442 -38.196 1.00 0.00 O ATOM 1255 CB PRO A 80 2.726 25.120 -40.525 1.00 0.00 C ATOM 1256 CG PRO A 80 3.384 23.834 -40.902 1.00 0.00 C ATOM 1257 CD PRO A 80 3.658 23.070 -39.635 1.00 0.00 C ATOM 0 HA PRO A 80 2.428 25.734 -38.439 1.00 0.00 H new ATOM 0 HB2 PRO A 80 1.931 25.371 -41.228 1.00 0.00 H new ATOM 0 HB3 PRO A 80 3.440 25.943 -40.545 1.00 0.00 H new ATOM 0 HG2 PRO A 80 2.741 23.256 -41.565 1.00 0.00 H new ATOM 0 HG3 PRO A 80 4.312 24.023 -41.442 1.00 0.00 H new ATOM 0 HD2 PRO A 80 3.478 22.003 -39.768 1.00 0.00 H new ATOM 0 HD3 PRO A 80 4.696 23.181 -39.321 1.00 0.00 H new ATOM 1265 N ASP A 81 0.014 24.245 -40.119 1.00 0.00 N ATOM 1266 CA ASP A 81 -1.448 24.148 -40.174 1.00 0.00 C ATOM 1267 C ASP A 81 -1.916 23.168 -41.234 1.00 0.00 C ATOM 1268 O ASP A 81 -1.474 23.224 -42.382 1.00 0.00 O ATOM 1269 CB ASP A 81 -2.106 25.511 -40.409 1.00 0.00 C ATOM 1270 CG ASP A 81 -3.602 25.441 -40.282 1.00 0.00 C ATOM 1271 OD1 ASP A 81 -4.098 25.173 -39.161 1.00 0.00 O ATOM 1272 OD2 ASP A 81 -4.312 25.669 -41.275 1.00 0.00 O ATOM 0 H ASP A 81 0.502 23.784 -40.887 1.00 0.00 H new ATOM 0 HA ASP A 81 -1.759 23.776 -39.198 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -1.714 26.232 -39.691 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -1.843 25.875 -41.402 1.00 0.00 H new ATOM 1277 N ILE A 82 -2.796 22.278 -40.828 1.00 0.00 N ATOM 1278 CA ILE A 82 -3.399 21.288 -41.677 1.00 0.00 C ATOM 1279 C ILE A 82 -4.722 20.875 -41.085 1.00 0.00 C ATOM 1280 O ILE A 82 -4.807 20.514 -39.911 1.00 0.00 O ATOM 1281 CB ILE A 82 -2.500 20.014 -41.915 1.00 0.00 C ATOM 1282 CG1 ILE A 82 -3.301 18.892 -42.610 1.00 0.00 C ATOM 1283 CG2 ILE A 82 -1.871 19.514 -40.629 1.00 0.00 C ATOM 1284 CD1 ILE A 82 -2.506 17.633 -42.870 1.00 0.00 C ATOM 0 H ILE A 82 -3.119 22.227 -39.862 1.00 0.00 H new ATOM 0 HA ILE A 82 -3.530 21.750 -42.656 1.00 0.00 H new ATOM 0 HB ILE A 82 -1.687 20.314 -42.577 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -4.165 18.642 -41.994 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -3.684 19.269 -43.558 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -1.261 18.636 -40.840 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -1.245 20.297 -40.202 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -2.655 19.249 -39.920 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -3.142 16.896 -43.360 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -1.657 17.865 -43.513 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -2.145 17.229 -41.924 1.00 0.00 H new ATOM 1296 N ASP A 83 -5.750 21.012 -41.855 1.00 0.00 N ATOM 1297 CA ASP A 83 -7.041 20.520 -41.464 1.00 0.00 C ATOM 1298 C ASP A 83 -7.124 19.054 -41.831 1.00 0.00 C ATOM 1299 O ASP A 83 -7.249 18.703 -43.004 1.00 0.00 O ATOM 1300 CB ASP A 83 -8.175 21.314 -42.119 1.00 0.00 C ATOM 1301 CG ASP A 83 -9.541 20.749 -41.789 1.00 0.00 C ATOM 1302 OD1 ASP A 83 -10.014 20.931 -40.649 1.00 0.00 O ATOM 1303 OD2 ASP A 83 -10.169 20.134 -42.663 1.00 0.00 O ATOM 0 H ASP A 83 -5.726 21.464 -42.769 1.00 0.00 H new ATOM 0 HA ASP A 83 -7.160 20.643 -40.387 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -8.125 22.352 -41.790 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -8.037 21.315 -43.200 1.00 0.00 H new ATOM 1308 N PHE A 84 -6.948 18.216 -40.854 1.00 0.00 N ATOM 1309 CA PHE A 84 -6.982 16.780 -41.051 1.00 0.00 C ATOM 1310 C PHE A 84 -7.915 16.127 -40.053 1.00 0.00 C ATOM 1311 O PHE A 84 -8.179 16.675 -38.968 1.00 0.00 O ATOM 1312 CB PHE A 84 -5.567 16.169 -40.881 1.00 0.00 C ATOM 1313 CG PHE A 84 -4.990 16.296 -39.477 1.00 0.00 C ATOM 1314 CD1 PHE A 84 -4.345 17.446 -39.083 1.00 0.00 C ATOM 1315 CD2 PHE A 84 -5.106 15.257 -38.560 1.00 0.00 C ATOM 1316 CE1 PHE A 84 -3.825 17.573 -37.810 1.00 0.00 C ATOM 1317 CE2 PHE A 84 -4.590 15.377 -37.283 1.00 0.00 C ATOM 1318 CZ PHE A 84 -3.947 16.538 -36.910 1.00 0.00 C ATOM 0 H PHE A 84 -6.775 18.500 -39.890 1.00 0.00 H new ATOM 0 HA PHE A 84 -7.340 16.595 -42.064 1.00 0.00 H new ATOM 0 HB2 PHE A 84 -5.606 15.114 -41.150 1.00 0.00 H new ATOM 0 HB3 PHE A 84 -4.889 16.653 -41.584 1.00 0.00 H new ATOM 0 HD1 PHE A 84 -4.244 18.263 -39.782 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -5.606 14.344 -38.849 1.00 0.00 H new ATOM 0 HE1 PHE A 84 -3.323 18.484 -37.520 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -4.690 14.564 -36.580 1.00 0.00 H new ATOM 0 HZ PHE A 84 -3.540 16.636 -35.914 1.00 0.00 H new ATOM 1328 N ASP A 85 -8.387 14.972 -40.405 1.00 0.00 N ATOM 1329 CA ASP A 85 -9.179 14.155 -39.519 1.00 0.00 C ATOM 1330 C ASP A 85 -8.483 12.845 -39.350 1.00 0.00 C ATOM 1331 O ASP A 85 -7.624 12.490 -40.155 1.00 0.00 O ATOM 1332 CB ASP A 85 -10.598 13.903 -40.045 1.00 0.00 C ATOM 1333 CG ASP A 85 -11.480 15.112 -40.017 1.00 0.00 C ATOM 1334 OD1 ASP A 85 -11.892 15.533 -38.914 1.00 0.00 O ATOM 1335 OD2 ASP A 85 -11.822 15.640 -41.092 1.00 0.00 O ATOM 0 H ASP A 85 -8.235 14.559 -41.325 1.00 0.00 H new ATOM 0 HA ASP A 85 -9.280 14.687 -38.573 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -10.535 13.535 -41.069 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -11.060 13.115 -39.451 1.00 0.00 H new ATOM 1340 N LEU A 86 -8.790 12.152 -38.307 1.00 0.00 N ATOM 1341 CA LEU A 86 -8.246 10.859 -38.083 1.00 0.00 C ATOM 1342 C LEU A 86 -9.311 9.994 -37.467 1.00 0.00 C ATOM 1343 O LEU A 86 -10.255 10.500 -36.864 1.00 0.00 O ATOM 1344 CB LEU A 86 -7.049 10.920 -37.140 1.00 0.00 C ATOM 1345 CG LEU A 86 -7.355 11.152 -35.646 1.00 0.00 C ATOM 1346 CD1 LEU A 86 -6.194 10.745 -34.801 1.00 0.00 C ATOM 1347 CD2 LEU A 86 -7.717 12.596 -35.359 1.00 0.00 C ATOM 0 H LEU A 86 -9.431 12.471 -37.580 1.00 0.00 H new ATOM 0 HA LEU A 86 -7.911 10.448 -39.036 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -6.495 9.986 -37.233 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -6.388 11.718 -37.480 1.00 0.00 H new ATOM 0 HG LEU A 86 -8.217 10.533 -35.397 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -6.430 10.917 -33.751 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -5.983 9.687 -34.957 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -5.319 11.334 -35.077 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -7.925 12.715 -34.296 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -6.886 13.242 -35.641 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -8.601 12.871 -35.934 1.00 0.00 H new ATOM 1359 N ASN A 87 -9.175 8.733 -37.624 1.00 0.00 N ATOM 1360 CA ASN A 87 -10.068 7.793 -37.049 1.00 0.00 C ATOM 1361 C ASN A 87 -9.267 6.761 -36.294 1.00 0.00 C ATOM 1362 O ASN A 87 -8.472 6.032 -36.898 1.00 0.00 O ATOM 1363 CB ASN A 87 -10.869 7.119 -38.160 1.00 0.00 C ATOM 1364 CG ASN A 87 -11.811 6.056 -37.654 1.00 0.00 C ATOM 1365 OD1 ASN A 87 -11.332 4.853 -37.564 1.00 0.00 O flip ATOM 1366 ND2 ASN A 87 -12.963 6.324 -37.353 1.00 0.00 N flip ATOM 0 H ASN A 87 -8.423 8.311 -38.168 1.00 0.00 H new ATOM 0 HA ASN A 87 -10.755 8.293 -36.366 1.00 0.00 H new ATOM 0 HB2 ASN A 87 -11.441 7.876 -38.697 1.00 0.00 H new ATOM 0 HB3 ASN A 87 -10.179 6.673 -38.876 1.00 0.00 H new ATOM 0 HD21 ASN A 87 -13.302 7.282 -37.438 1.00 0.00 H new ATOM 0 HD22 ASN A 87 -13.586 5.590 -37.017 1.00 0.00 H new ATOM 1373 N ILE A 88 -9.419 6.733 -35.001 1.00 0.00 N ATOM 1374 CA ILE A 88 -8.772 5.734 -34.184 1.00 0.00 C ATOM 1375 C ILE A 88 -9.614 4.475 -34.160 1.00 0.00 C ATOM 1376 O ILE A 88 -10.841 4.538 -34.037 1.00 0.00 O ATOM 1377 CB ILE A 88 -8.563 6.206 -32.727 1.00 0.00 C ATOM 1378 CG1 ILE A 88 -7.669 7.446 -32.675 1.00 0.00 C ATOM 1379 CG2 ILE A 88 -7.960 5.073 -31.888 1.00 0.00 C ATOM 1380 CD1 ILE A 88 -6.281 7.212 -33.199 1.00 0.00 C ATOM 0 H ILE A 88 -9.992 7.397 -34.480 1.00 0.00 H new ATOM 0 HA ILE A 88 -7.793 5.547 -34.626 1.00 0.00 H new ATOM 0 HB ILE A 88 -9.534 6.475 -32.311 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -8.136 8.244 -33.252 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -7.605 7.794 -31.644 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -7.817 5.416 -30.863 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -8.635 4.217 -31.893 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -6.999 4.779 -32.310 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -5.706 8.135 -33.130 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -5.795 6.437 -32.607 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -6.334 6.894 -34.240 1.00 0.00 H new ATOM 1392 N MET A 89 -8.973 3.365 -34.304 1.00 0.00 N ATOM 1393 CA MET A 89 -9.599 2.092 -34.220 1.00 0.00 C ATOM 1394 C MET A 89 -8.577 1.137 -33.645 1.00 0.00 C ATOM 1395 O MET A 89 -7.400 1.440 -33.615 1.00 0.00 O ATOM 1396 CB MET A 89 -10.066 1.598 -35.615 1.00 0.00 C ATOM 1397 CG MET A 89 -8.954 1.068 -36.525 1.00 0.00 C ATOM 1398 SD MET A 89 -9.515 0.694 -38.204 1.00 0.00 S ATOM 1399 CE MET A 89 -9.783 2.322 -38.875 1.00 0.00 C ATOM 0 H MET A 89 -7.971 3.318 -34.489 1.00 0.00 H new ATOM 0 HA MET A 89 -10.487 2.151 -33.591 1.00 0.00 H new ATOM 0 HB2 MET A 89 -10.805 0.810 -35.475 1.00 0.00 H new ATOM 0 HB3 MET A 89 -10.569 2.420 -36.124 1.00 0.00 H new ATOM 0 HG2 MET A 89 -8.153 1.805 -36.574 1.00 0.00 H new ATOM 0 HG3 MET A 89 -8.531 0.166 -36.082 1.00 0.00 H new ATOM 0 HE1 MET A 89 -9.588 2.310 -39.947 1.00 0.00 H new ATOM 0 HE2 MET A 89 -10.815 2.623 -38.697 1.00 0.00 H new ATOM 0 HE3 MET A 89 -9.110 3.030 -38.392 1.00 0.00 H new ATOM 1409 N THR A 90 -9.013 0.068 -33.142 1.00 0.00 N ATOM 1410 CA THR A 90 -8.169 -0.991 -32.705 1.00 0.00 C ATOM 1411 C THR A 90 -7.605 -1.746 -33.914 1.00 0.00 C ATOM 1412 O THR A 90 -8.268 -1.844 -34.948 1.00 0.00 O ATOM 1413 CB THR A 90 -9.036 -1.907 -31.869 1.00 0.00 C ATOM 1414 OG1 THR A 90 -10.375 -1.780 -32.378 1.00 0.00 O ATOM 1415 CG2 THR A 90 -9.014 -1.489 -30.420 1.00 0.00 C ATOM 0 H THR A 90 -10.007 -0.120 -33.009 1.00 0.00 H new ATOM 0 HA THR A 90 -7.323 -0.616 -32.129 1.00 0.00 H new ATOM 0 HB THR A 90 -8.673 -2.933 -31.926 1.00 0.00 H new ATOM 0 HG1 THR A 90 -10.796 -2.664 -32.415 1.00 0.00 H new ATOM 0 HG21 THR A 90 -9.644 -2.161 -29.838 1.00 0.00 H new ATOM 0 HG22 THR A 90 -7.992 -1.533 -30.044 1.00 0.00 H new ATOM 0 HG23 THR A 90 -9.390 -0.470 -30.330 1.00 0.00 H new ATOM 1423 N VAL A 91 -6.390 -2.248 -33.787 1.00 0.00 N ATOM 1424 CA VAL A 91 -5.726 -3.035 -34.842 1.00 0.00 C ATOM 1425 C VAL A 91 -6.630 -4.195 -35.305 1.00 0.00 C ATOM 1426 O VAL A 91 -6.785 -4.450 -36.515 1.00 0.00 O ATOM 1427 CB VAL A 91 -4.386 -3.601 -34.307 1.00 0.00 C ATOM 1428 CG1 VAL A 91 -3.769 -4.621 -35.258 1.00 0.00 C ATOM 1429 CG2 VAL A 91 -3.398 -2.494 -34.065 1.00 0.00 C ATOM 0 H VAL A 91 -5.822 -2.127 -32.948 1.00 0.00 H new ATOM 0 HA VAL A 91 -5.533 -2.382 -35.693 1.00 0.00 H new ATOM 0 HB VAL A 91 -4.615 -4.104 -33.368 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -2.832 -4.988 -34.839 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -4.458 -5.455 -35.394 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -3.576 -4.150 -36.222 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -2.465 -2.915 -33.690 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -3.208 -1.965 -34.999 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -3.804 -1.798 -33.330 1.00 0.00 H new ATOM 1439 N ASP A 92 -7.255 -4.846 -34.334 1.00 0.00 N ATOM 1440 CA ASP A 92 -8.190 -5.953 -34.570 1.00 0.00 C ATOM 1441 C ASP A 92 -9.326 -5.521 -35.471 1.00 0.00 C ATOM 1442 O ASP A 92 -9.700 -6.229 -36.407 1.00 0.00 O ATOM 1443 CB ASP A 92 -8.753 -6.459 -33.238 1.00 0.00 C ATOM 1444 CG ASP A 92 -9.864 -7.487 -33.391 1.00 0.00 C ATOM 1445 OD1 ASP A 92 -9.572 -8.688 -33.525 1.00 0.00 O ATOM 1446 OD2 ASP A 92 -11.045 -7.116 -33.316 1.00 0.00 O ATOM 0 H ASP A 92 -7.130 -4.623 -33.347 1.00 0.00 H new ATOM 0 HA ASP A 92 -7.644 -6.757 -35.063 1.00 0.00 H new ATOM 0 HB2 ASP A 92 -7.943 -6.897 -32.655 1.00 0.00 H new ATOM 0 HB3 ASP A 92 -9.132 -5.610 -32.669 1.00 0.00 H new ATOM 1451 N ASP A 93 -9.798 -4.320 -35.246 1.00 0.00 N ATOM 1452 CA ASP A 93 -10.933 -3.790 -35.978 1.00 0.00 C ATOM 1453 C ASP A 93 -10.504 -3.129 -37.259 1.00 0.00 C ATOM 1454 O ASP A 93 -11.332 -2.719 -38.064 1.00 0.00 O ATOM 1455 CB ASP A 93 -11.781 -2.848 -35.120 1.00 0.00 C ATOM 1456 CG ASP A 93 -12.570 -3.590 -34.069 1.00 0.00 C ATOM 1457 OD1 ASP A 93 -13.625 -4.179 -34.403 1.00 0.00 O ATOM 1458 OD2 ASP A 93 -12.153 -3.617 -32.895 1.00 0.00 O ATOM 0 H ASP A 93 -9.411 -3.680 -34.553 1.00 0.00 H new ATOM 0 HA ASP A 93 -11.565 -4.639 -36.241 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -11.133 -2.117 -34.637 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -12.465 -2.293 -35.761 1.00 0.00 H new ATOM 1463 N TYR A 94 -9.221 -3.056 -37.456 1.00 0.00 N ATOM 1464 CA TYR A 94 -8.656 -2.505 -38.644 1.00 0.00 C ATOM 1465 C TYR A 94 -8.480 -3.559 -39.705 1.00 0.00 C ATOM 1466 O TYR A 94 -9.060 -3.464 -40.785 1.00 0.00 O ATOM 1467 CB TYR A 94 -7.326 -1.827 -38.337 1.00 0.00 C ATOM 1468 CG TYR A 94 -6.528 -1.402 -39.551 1.00 0.00 C ATOM 1469 CD1 TYR A 94 -6.945 -0.356 -40.358 1.00 0.00 C ATOM 1470 CD2 TYR A 94 -5.354 -2.059 -39.886 1.00 0.00 C ATOM 1471 CE1 TYR A 94 -6.213 0.021 -41.459 1.00 0.00 C ATOM 1472 CE2 TYR A 94 -4.620 -1.687 -40.983 1.00 0.00 C ATOM 1473 CZ TYR A 94 -5.052 -0.650 -41.764 1.00 0.00 C ATOM 1474 OH TYR A 94 -4.324 -0.277 -42.858 1.00 0.00 O ATOM 0 H TYR A 94 -8.529 -3.384 -36.782 1.00 0.00 H new ATOM 0 HA TYR A 94 -9.349 -1.756 -39.029 1.00 0.00 H new ATOM 0 HB2 TYR A 94 -7.517 -0.948 -37.721 1.00 0.00 H new ATOM 0 HB3 TYR A 94 -6.718 -2.508 -37.741 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -7.857 0.170 -40.119 1.00 0.00 H new ATOM 0 HD2 TYR A 94 -5.011 -2.879 -39.272 1.00 0.00 H new ATOM 0 HE1 TYR A 94 -6.548 0.839 -42.080 1.00 0.00 H new ATOM 0 HE2 TYR A 94 -3.707 -2.209 -41.229 1.00 0.00 H new ATOM 0 HH TYR A 94 -3.532 -0.849 -42.934 1.00 0.00 H new ATOM 1484 N PHE A 95 -7.698 -4.571 -39.392 1.00 0.00 N ATOM 1485 CA PHE A 95 -7.379 -5.627 -40.355 1.00 0.00 C ATOM 1486 C PHE A 95 -8.584 -6.420 -40.801 1.00 0.00 C ATOM 1487 O PHE A 95 -8.574 -7.035 -41.848 1.00 0.00 O ATOM 1488 CB PHE A 95 -6.285 -6.543 -39.864 1.00 0.00 C ATOM 1489 CG PHE A 95 -4.921 -5.934 -39.941 1.00 0.00 C ATOM 1490 CD1 PHE A 95 -4.407 -5.532 -41.163 1.00 0.00 C ATOM 1491 CD2 PHE A 95 -4.149 -5.767 -38.808 1.00 0.00 C ATOM 1492 CE1 PHE A 95 -3.156 -4.970 -41.253 1.00 0.00 C ATOM 1493 CE2 PHE A 95 -2.888 -5.206 -38.893 1.00 0.00 C ATOM 1494 CZ PHE A 95 -2.392 -4.806 -40.120 1.00 0.00 C ATOM 0 H PHE A 95 -7.265 -4.693 -38.476 1.00 0.00 H new ATOM 0 HA PHE A 95 -7.007 -5.101 -41.234 1.00 0.00 H new ATOM 0 HB2 PHE A 95 -6.492 -6.823 -38.831 1.00 0.00 H new ATOM 0 HB3 PHE A 95 -6.299 -7.461 -40.452 1.00 0.00 H new ATOM 0 HD1 PHE A 95 -4.998 -5.662 -42.058 1.00 0.00 H new ATOM 0 HD2 PHE A 95 -4.533 -6.077 -37.848 1.00 0.00 H new ATOM 0 HE1 PHE A 95 -2.772 -4.657 -42.213 1.00 0.00 H new ATOM 0 HE2 PHE A 95 -2.291 -5.080 -38.002 1.00 0.00 H new ATOM 0 HZ PHE A 95 -1.408 -4.366 -40.189 1.00 0.00 H new ATOM 1504 N ARG A 96 -9.619 -6.374 -40.018 1.00 0.00 N ATOM 1505 CA ARG A 96 -10.882 -7.009 -40.379 1.00 0.00 C ATOM 1506 C ARG A 96 -11.522 -6.336 -41.623 1.00 0.00 C ATOM 1507 O ARG A 96 -12.487 -6.841 -42.187 1.00 0.00 O ATOM 1508 CB ARG A 96 -11.845 -7.060 -39.161 1.00 0.00 C ATOM 1509 CG ARG A 96 -12.297 -5.708 -38.605 1.00 0.00 C ATOM 1510 CD ARG A 96 -13.458 -5.106 -39.381 1.00 0.00 C ATOM 1511 NE ARG A 96 -13.814 -3.751 -38.919 1.00 0.00 N ATOM 1512 CZ ARG A 96 -14.904 -3.070 -39.321 1.00 0.00 C ATOM 1513 NH1 ARG A 96 -15.748 -3.624 -40.191 1.00 0.00 N ATOM 1514 NH2 ARG A 96 -15.135 -1.835 -38.871 1.00 0.00 N ATOM 0 H ARG A 96 -9.628 -5.902 -39.114 1.00 0.00 H new ATOM 0 HA ARG A 96 -10.676 -8.041 -40.663 1.00 0.00 H new ATOM 0 HB2 ARG A 96 -12.731 -7.627 -39.447 1.00 0.00 H new ATOM 0 HB3 ARG A 96 -11.356 -7.615 -38.360 1.00 0.00 H new ATOM 0 HG2 ARG A 96 -12.588 -5.829 -37.562 1.00 0.00 H new ATOM 0 HG3 ARG A 96 -11.456 -5.014 -38.623 1.00 0.00 H new ATOM 0 HD2 ARG A 96 -13.200 -5.068 -40.439 1.00 0.00 H new ATOM 0 HD3 ARG A 96 -14.327 -5.757 -39.288 1.00 0.00 H new ATOM 0 HE ARG A 96 -13.192 -3.299 -38.249 1.00 0.00 H new ATOM 0 HH11 ARG A 96 -15.567 -4.561 -40.550 1.00 0.00 H new ATOM 0 HH12 ARG A 96 -16.574 -3.111 -40.497 1.00 0.00 H new ATOM 0 HH21 ARG A 96 -14.484 -1.400 -38.218 1.00 0.00 H new ATOM 0 HH22 ARG A 96 -15.963 -1.326 -39.180 1.00 0.00 H new ATOM 1528 N GLN A 97 -11.000 -5.175 -42.005 1.00 0.00 N ATOM 1529 CA GLN A 97 -11.474 -4.474 -43.196 1.00 0.00 C ATOM 1530 C GLN A 97 -10.492 -4.705 -44.339 1.00 0.00 C ATOM 1531 O GLN A 97 -10.876 -4.817 -45.503 1.00 0.00 O ATOM 1532 CB GLN A 97 -11.520 -2.973 -42.937 1.00 0.00 C ATOM 1533 CG GLN A 97 -12.166 -2.586 -41.641 1.00 0.00 C ATOM 1534 CD GLN A 97 -12.012 -1.124 -41.343 1.00 0.00 C ATOM 1535 OE1 GLN A 97 -10.906 -0.794 -40.757 1.00 0.00 O flip ATOM 1536 NE2 GLN A 97 -12.852 -0.308 -41.680 1.00 0.00 N flip ATOM 0 H GLN A 97 -10.248 -4.698 -41.508 1.00 0.00 H new ATOM 0 HA GLN A 97 -12.467 -4.848 -43.445 1.00 0.00 H new ATOM 0 HB2 GLN A 97 -10.502 -2.583 -42.952 1.00 0.00 H new ATOM 0 HB3 GLN A 97 -12.058 -2.492 -43.754 1.00 0.00 H new ATOM 0 HG2 GLN A 97 -13.226 -2.838 -41.676 1.00 0.00 H new ATOM 0 HG3 GLN A 97 -11.727 -3.168 -40.831 1.00 0.00 H new ATOM 0 HE21 GLN A 97 -13.708 -0.618 -42.139 1.00 0.00 H new ATOM 0 HE22 GLN A 97 -12.699 0.685 -41.503 1.00 0.00 H new ATOM 1545 N PHE A 98 -9.222 -4.786 -43.994 1.00 0.00 N ATOM 1546 CA PHE A 98 -8.164 -4.845 -44.986 1.00 0.00 C ATOM 1547 C PHE A 98 -7.426 -6.157 -44.924 1.00 0.00 C ATOM 1548 O PHE A 98 -6.611 -6.382 -44.030 1.00 0.00 O ATOM 1549 CB PHE A 98 -7.171 -3.689 -44.795 1.00 0.00 C ATOM 1550 CG PHE A 98 -7.805 -2.330 -44.822 1.00 0.00 C ATOM 1551 CD1 PHE A 98 -7.998 -1.659 -46.013 1.00 0.00 C ATOM 1552 CD2 PHE A 98 -8.212 -1.730 -43.650 1.00 0.00 C ATOM 1553 CE1 PHE A 98 -8.585 -0.410 -46.029 1.00 0.00 C ATOM 1554 CE2 PHE A 98 -8.798 -0.488 -43.655 1.00 0.00 C ATOM 1555 CZ PHE A 98 -8.988 0.177 -44.846 1.00 0.00 C ATOM 0 H PHE A 98 -8.895 -4.813 -43.028 1.00 0.00 H new ATOM 0 HA PHE A 98 -8.634 -4.756 -45.965 1.00 0.00 H new ATOM 0 HB2 PHE A 98 -6.656 -3.820 -43.843 1.00 0.00 H new ATOM 0 HB3 PHE A 98 -6.414 -3.741 -45.577 1.00 0.00 H new ATOM 0 HD1 PHE A 98 -7.687 -2.116 -46.941 1.00 0.00 H new ATOM 0 HD2 PHE A 98 -8.068 -2.245 -42.712 1.00 0.00 H new ATOM 0 HE1 PHE A 98 -8.729 0.108 -46.966 1.00 0.00 H new ATOM 0 HE2 PHE A 98 -9.109 -0.033 -42.726 1.00 0.00 H new ATOM 0 HZ PHE A 98 -9.450 1.153 -44.855 1.00 0.00 H new ATOM 1565 N TYR A 99 -7.724 -7.013 -45.848 1.00 0.00 N ATOM 1566 CA TYR A 99 -7.071 -8.283 -45.938 1.00 0.00 C ATOM 1567 C TYR A 99 -6.107 -8.311 -47.091 1.00 0.00 C ATOM 1568 O TYR A 99 -5.844 -7.280 -47.726 1.00 0.00 O ATOM 1569 CB TYR A 99 -8.084 -9.416 -46.046 1.00 0.00 C ATOM 1570 CG TYR A 99 -8.804 -9.652 -44.763 1.00 0.00 C ATOM 1571 CD1 TYR A 99 -8.169 -10.309 -43.730 1.00 0.00 C ATOM 1572 CD2 TYR A 99 -10.099 -9.205 -44.570 1.00 0.00 C ATOM 1573 CE1 TYR A 99 -8.805 -10.522 -42.529 1.00 0.00 C ATOM 1574 CE2 TYR A 99 -10.744 -9.409 -43.374 1.00 0.00 C ATOM 1575 CZ TYR A 99 -10.094 -10.070 -42.355 1.00 0.00 C ATOM 1576 OH TYR A 99 -10.743 -10.277 -41.147 1.00 0.00 O ATOM 0 H TYR A 99 -8.430 -6.852 -46.566 1.00 0.00 H new ATOM 0 HA TYR A 99 -6.503 -8.431 -45.020 1.00 0.00 H new ATOM 0 HB2 TYR A 99 -8.806 -9.182 -46.828 1.00 0.00 H new ATOM 0 HB3 TYR A 99 -7.573 -10.330 -46.347 1.00 0.00 H new ATOM 0 HD1 TYR A 99 -7.157 -10.662 -43.866 1.00 0.00 H new ATOM 0 HD2 TYR A 99 -10.610 -8.689 -45.370 1.00 0.00 H new ATOM 0 HE1 TYR A 99 -8.297 -11.040 -41.729 1.00 0.00 H new ATOM 0 HE2 TYR A 99 -11.754 -9.053 -43.234 1.00 0.00 H new ATOM 0 HH TYR A 99 -11.599 -9.800 -41.150 1.00 0.00 H new ATOM 1586 N LYS A 100 -5.560 -9.464 -47.342 1.00 0.00 N ATOM 1587 CA LYS A 100 -4.634 -9.645 -48.396 1.00 0.00 C ATOM 1588 C LYS A 100 -5.420 -9.912 -49.675 1.00 0.00 C ATOM 1589 O LYS A 100 -5.730 -8.946 -50.414 1.00 0.00 O ATOM 1590 CB LYS A 100 -3.736 -10.826 -48.062 1.00 0.00 C ATOM 1591 CG LYS A 100 -2.552 -10.992 -48.993 1.00 0.00 C ATOM 1592 CD LYS A 100 -1.747 -12.243 -48.670 1.00 0.00 C ATOM 1593 CE LYS A 100 -2.528 -13.518 -48.963 1.00 0.00 C ATOM 1594 NZ LYS A 100 -2.844 -13.661 -50.407 1.00 0.00 N ATOM 0 H LYS A 100 -5.754 -10.310 -46.807 1.00 0.00 H new ATOM 0 HA LYS A 100 -4.012 -8.760 -48.531 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -3.368 -10.711 -47.042 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -4.332 -11.738 -48.085 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -2.905 -11.043 -50.023 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -1.907 -10.116 -48.920 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -0.825 -12.241 -49.252 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -1.460 -12.228 -47.619 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -1.950 -14.381 -48.632 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -3.454 -13.515 -48.388 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -3.158 -14.634 -50.599 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -3.601 -12.995 -50.664 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -1.995 -13.454 -50.970 1.00 0.00 H new TER 1608 LYS A 100