USER MOD reduce.3.24.130724 H: found=0, std=0, add=519, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 519 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 12 THR OG1 : rot 180:sc=0.000733 USER MOD Set 1.2: A 14 THR OG1 : rot 180:sc= 0.0151 USER MOD Single : A 5 THR OG1 : rot -45:sc= -3.9! USER MOD Single : A 6 CYS SG : rot 180:sc= 0.0181 USER MOD Single : A 9 ASN : amide:sc= 0.222 K(o=0.22,f=-1.2) USER MOD Single : A -2 GLN : amide:sc= -0.28 X(o=-0.28,f=-0.51) USER MOD Single : A -9 SER OG : rot 180:sc= 0 USER MOD Single : A 11 GLN :FLIP amide:sc= 0 F(o=-0.58,f=0) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 THR OG1 : rot -90:sc= -0.2 USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 ASN : amide:sc= -0.149! C(o=-0.15!,f=-11!) USER MOD Single : A 23 ASN : amide:sc= -0.109 K(o=-0.11,f=-2.1!) USER MOD Single : A 29 ASN :FLIP amide:sc= -12.5! C(o=-14!,f=-13!) USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 TYR OH : rot 180:sc= -0.0599 USER MOD Single : A 36 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.047) USER MOD Single : A 38 HIS : no HD1:sc= -0.45 X(o=-0.45,f=0.046) USER MOD Single : A 39 ASN : amide:sc=-0.00106 K(o=-0.0011,f=-1) USER MOD Single : A 41 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 45 THR OG1 : rot 180:sc= -0.286 USER MOD Single : A 46 MET CE :methyl 164:sc= 0 (180deg=-0.279) USER MOD Single : A 47 LYS NZ :NH3+ -168:sc= -0.0103 (180deg=-0.156) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A -10 SER OG : rot 180:sc= 0 USER MOD Single : A -11 HIS : no HD1:sc= 0.514 K(o=0.51,f=-2.9!) USER MOD Single : A -12 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A -13 HIS :FLIP no HD1:sc= -0.507 F(o=-1.9,f=-0.51) USER MOD Single : A -14 HIS : no HD1:sc= -0.186 X(o=-0.19,f=-0.19) USER MOD Single : A -15 HIS : no HD1:sc= 0 X(o=0,f=-0.0038) USER MOD Single : A -16 HIS : no HD1:sc= -0.293 X(o=-0.29,f=-0.49) USER MOD Single : A -18 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A -18 MET N :NH3+ -173:sc= 0 (180deg=-0.0315) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A -18 12.103 13.220 -6.128 1.00 16.77 N ATOM 2 CA MET A -18 11.871 13.703 -7.507 1.00 16.30 C ATOM 3 C MET A -18 12.156 12.599 -8.516 1.00 15.80 C ATOM 4 O MET A -18 13.166 12.630 -9.222 1.00 15.75 O ATOM 5 CB MET A -18 12.749 14.921 -7.805 1.00 16.41 C ATOM 6 CG MET A -18 12.357 16.163 -7.023 1.00 16.85 C ATOM 7 SD MET A -18 10.684 16.721 -7.403 1.00 17.18 S ATOM 8 CE MET A -18 10.577 18.180 -6.369 1.00 17.45 C ATOM 0 H1 MET A -18 11.792 13.944 -5.450 1.00 16.77 H new ATOM 0 H2 MET A -18 11.564 12.344 -5.972 1.00 16.77 H new ATOM 0 H3 MET A -18 13.117 13.031 -5.992 1.00 16.77 H new ATOM 0 HA MET A -18 10.824 13.995 -7.592 1.00 16.30 H new ATOM 0 HB2 MET A -18 13.786 14.674 -7.580 1.00 16.41 H new ATOM 0 HB3 MET A -18 12.698 15.143 -8.871 1.00 16.41 H new ATOM 0 HG2 MET A -18 12.433 15.955 -5.956 1.00 16.85 H new ATOM 0 HG3 MET A -18 13.062 16.964 -7.243 1.00 16.85 H new ATOM 0 HE1 MET A -18 9.597 18.642 -6.491 1.00 17.45 H new ATOM 0 HE2 MET A -18 10.717 17.898 -5.326 1.00 17.45 H new ATOM 0 HE3 MET A -18 11.351 18.890 -6.660 1.00 17.45 H new ATOM 20 N ALA A -17 11.259 11.626 -8.586 1.00 15.58 N ATOM 21 CA ALA A -17 11.434 10.486 -9.469 1.00 15.28 C ATOM 22 C ALA A -17 10.223 10.305 -10.377 1.00 14.65 C ATOM 23 O ALA A -17 9.675 9.206 -10.484 1.00 14.54 O ATOM 24 CB ALA A -17 11.679 9.228 -8.651 1.00 15.75 C ATOM 0 H ALA A -17 10.399 11.605 -8.038 1.00 15.58 H new ATOM 0 HA ALA A -17 12.302 10.672 -10.102 1.00 15.28 H new ATOM 0 HB1 ALA A -17 11.809 8.378 -9.321 1.00 15.75 H new ATOM 0 HB2 ALA A -17 12.578 9.356 -8.048 1.00 15.75 H new ATOM 0 HB3 ALA A -17 10.826 9.047 -7.997 1.00 15.75 H new ATOM 30 N HIS A -16 9.811 11.389 -11.023 1.00 14.40 N ATOM 31 CA HIS A -16 8.668 11.364 -11.936 1.00 13.97 C ATOM 32 C HIS A -16 8.895 10.368 -13.074 1.00 13.40 C ATOM 33 O HIS A -16 9.738 10.582 -13.944 1.00 13.34 O ATOM 34 CB HIS A -16 8.373 12.770 -12.494 1.00 14.30 C ATOM 35 CG HIS A -16 9.518 13.421 -13.222 1.00 14.69 C ATOM 36 ND1 HIS A -16 9.633 13.421 -14.595 1.00 15.06 N ATOM 37 CD2 HIS A -16 10.592 14.105 -12.761 1.00 14.94 C ATOM 38 CE1 HIS A -16 10.724 14.073 -14.945 1.00 15.50 C ATOM 39 NE2 HIS A -16 11.325 14.501 -13.851 1.00 15.44 N ATOM 0 H HIS A -16 10.253 12.304 -10.932 1.00 14.40 H new ATOM 0 HA HIS A -16 7.798 11.036 -11.368 1.00 13.97 H new ATOM 0 HB2 HIS A -16 7.522 12.704 -13.172 1.00 14.30 H new ATOM 0 HB3 HIS A -16 8.073 13.416 -11.669 1.00 14.30 H new ATOM 0 HD2 HIS A -16 10.828 14.302 -11.726 1.00 14.94 H new ATOM 0 HE1 HIS A -16 11.068 14.230 -15.957 1.00 15.50 H new ATOM 0 HE2 HIS A -16 12.192 15.038 -13.821 1.00 15.44 H new ATOM 48 N HIS A -15 8.145 9.265 -13.037 1.00 13.18 N ATOM 49 CA HIS A -15 8.258 8.198 -14.035 1.00 12.80 C ATOM 50 C HIS A -15 9.678 7.645 -14.097 1.00 12.10 C ATOM 51 O HIS A -15 10.103 7.106 -15.116 1.00 12.11 O ATOM 52 CB HIS A -15 7.828 8.688 -15.425 1.00 13.32 C ATOM 53 CG HIS A -15 6.352 8.890 -15.568 1.00 13.69 C ATOM 54 ND1 HIS A -15 5.781 10.117 -15.821 1.00 14.05 N ATOM 55 CD2 HIS A -15 5.331 8.007 -15.509 1.00 13.95 C ATOM 56 CE1 HIS A -15 4.472 9.980 -15.908 1.00 14.50 C ATOM 57 NE2 HIS A -15 4.171 8.708 -15.724 1.00 14.45 N ATOM 0 H HIS A -15 7.445 9.086 -12.318 1.00 13.18 H new ATOM 0 HA HIS A -15 7.587 7.397 -13.725 1.00 12.80 H new ATOM 0 HB2 HIS A -15 8.336 9.628 -15.641 1.00 13.32 H new ATOM 0 HB3 HIS A -15 8.160 7.967 -16.172 1.00 13.32 H new ATOM 0 HD2 HIS A -15 5.413 6.946 -15.326 1.00 13.95 H new ATOM 0 HE1 HIS A -15 3.766 10.775 -16.098 1.00 14.50 H new ATOM 0 HE2 HIS A -15 3.231 8.312 -15.739 1.00 14.45 H new ATOM 66 N HIS A -14 10.405 7.774 -12.996 1.00 11.67 N ATOM 67 CA HIS A -14 11.780 7.306 -12.928 1.00 11.15 C ATOM 68 C HIS A -14 11.833 5.997 -12.145 1.00 10.45 C ATOM 69 O HIS A -14 12.873 5.599 -11.623 1.00 10.24 O ATOM 70 CB HIS A -14 12.665 8.379 -12.277 1.00 11.34 C ATOM 71 CG HIS A -14 14.138 8.130 -12.407 1.00 11.78 C ATOM 72 ND1 HIS A -14 14.983 8.040 -11.325 1.00 12.06 N ATOM 73 CD2 HIS A -14 14.913 7.970 -13.503 1.00 12.20 C ATOM 74 CE1 HIS A -14 16.216 7.835 -11.747 1.00 12.61 C ATOM 75 NE2 HIS A -14 16.203 7.788 -13.067 1.00 12.71 N ATOM 0 H HIS A -14 10.063 8.201 -12.135 1.00 11.67 H new ATOM 0 HA HIS A -14 12.158 7.122 -13.934 1.00 11.15 H new ATOM 0 HB2 HIS A -14 12.431 9.345 -12.724 1.00 11.34 H new ATOM 0 HB3 HIS A -14 12.413 8.448 -11.219 1.00 11.34 H new ATOM 0 HD2 HIS A -14 14.580 7.983 -14.530 1.00 12.20 H new ATOM 0 HE1 HIS A -14 17.088 7.724 -11.120 1.00 12.61 H new ATOM 0 HE2 HIS A -14 17.017 7.641 -13.664 1.00 12.71 H new ATOM 84 N HIS A -13 10.686 5.336 -12.074 1.00 10.29 N ATOM 85 CA HIS A -13 10.558 4.069 -11.372 1.00 9.83 C ATOM 86 C HIS A -13 9.253 3.393 -11.767 1.00 9.17 C ATOM 87 O HIS A -13 8.356 4.038 -12.309 1.00 9.24 O ATOM 88 CB HIS A -13 10.617 4.267 -9.844 1.00 10.33 C ATOM 89 CG HIS A -13 9.576 5.199 -9.285 1.00 10.72 C ATOM 90 ND1 HIS A -13 8.225 5.174 -9.363 1.00 11.23 N flip ATOM 91 CD2 HIS A -13 9.889 6.301 -8.522 1.00 10.91 C flip ATOM 92 CE1 HIS A -13 7.755 6.248 -8.654 1.00 11.69 C flip ATOM 93 NE2 HIS A -13 8.777 6.913 -8.156 1.00 11.52 N flip ATOM 0 H HIS A -13 9.820 5.663 -12.501 1.00 10.29 H new ATOM 0 HA HIS A -13 11.396 3.433 -11.657 1.00 9.83 H new ATOM 0 HB2 HIS A -13 10.510 3.295 -9.362 1.00 10.33 H new ATOM 0 HB3 HIS A -13 11.604 4.647 -9.579 1.00 10.33 H new ATOM 0 HD2 HIS A -13 10.889 6.616 -8.263 1.00 10.91 H new ATOM 0 HE1 HIS A -13 6.715 6.507 -8.524 1.00 11.69 H new ATOM 0 HE2 HIS A -13 8.720 7.756 -7.585 1.00 11.52 H new ATOM 102 N HIS A -12 9.158 2.103 -11.506 1.00 8.78 N ATOM 103 CA HIS A -12 7.929 1.360 -11.747 1.00 8.39 C ATOM 104 C HIS A -12 7.309 0.974 -10.415 1.00 7.80 C ATOM 105 O HIS A -12 7.463 -0.150 -9.937 1.00 7.91 O ATOM 106 CB HIS A -12 8.200 0.121 -12.603 1.00 8.72 C ATOM 107 CG HIS A -12 8.609 0.450 -14.005 1.00 8.98 C ATOM 108 ND1 HIS A -12 7.728 0.465 -15.064 1.00 9.31 N ATOM 109 CD2 HIS A -12 9.811 0.799 -14.517 1.00 9.28 C ATOM 110 CE1 HIS A -12 8.371 0.809 -16.163 1.00 9.77 C ATOM 111 NE2 HIS A -12 9.636 1.018 -15.858 1.00 9.76 N ATOM 0 H HIS A -12 9.920 1.542 -11.125 1.00 8.78 H new ATOM 0 HA HIS A -12 7.231 1.991 -12.297 1.00 8.39 H new ATOM 0 HB2 HIS A -12 8.984 -0.473 -12.133 1.00 8.72 H new ATOM 0 HB3 HIS A -12 7.303 -0.498 -12.629 1.00 8.72 H new ATOM 0 HD2 HIS A -12 10.738 0.889 -13.970 1.00 9.28 H new ATOM 0 HE1 HIS A -12 7.935 0.903 -17.146 1.00 9.77 H new ATOM 0 HE2 HIS A -12 10.366 1.297 -16.514 1.00 9.76 H new ATOM 120 N HIS A -11 6.611 1.924 -9.818 1.00 7.48 N ATOM 121 CA HIS A -11 6.093 1.758 -8.473 1.00 7.19 C ATOM 122 C HIS A -11 4.671 1.217 -8.507 1.00 6.46 C ATOM 123 O HIS A -11 3.713 1.931 -8.205 1.00 6.49 O ATOM 124 CB HIS A -11 6.143 3.093 -7.723 1.00 7.84 C ATOM 125 CG HIS A -11 5.814 2.992 -6.265 1.00 8.37 C ATOM 126 ND1 HIS A -11 4.776 3.684 -5.681 1.00 8.98 N ATOM 127 CD2 HIS A -11 6.404 2.293 -5.268 1.00 8.69 C ATOM 128 CE1 HIS A -11 4.743 3.416 -4.389 1.00 9.59 C ATOM 129 NE2 HIS A -11 5.718 2.574 -4.110 1.00 9.44 N ATOM 0 H HIS A -11 6.389 2.823 -10.247 1.00 7.48 H new ATOM 0 HA HIS A -11 6.717 1.036 -7.946 1.00 7.19 H new ATOM 0 HB2 HIS A -11 7.140 3.520 -7.830 1.00 7.84 H new ATOM 0 HB3 HIS A -11 5.447 3.787 -8.194 1.00 7.84 H new ATOM 0 HD2 HIS A -11 7.256 1.636 -5.364 1.00 8.69 H new ATOM 0 HE1 HIS A -11 4.036 3.819 -3.679 1.00 9.59 H new ATOM 0 HE2 HIS A -11 5.929 2.194 -3.187 1.00 9.44 H new ATOM 138 N SER A -10 4.544 -0.041 -8.894 1.00 6.16 N ATOM 139 CA SER A -10 3.266 -0.727 -8.850 1.00 5.80 C ATOM 140 C SER A -10 2.822 -0.854 -7.395 1.00 5.14 C ATOM 141 O SER A -10 1.714 -0.460 -7.029 1.00 5.44 O ATOM 142 CB SER A -10 3.400 -2.106 -9.498 1.00 6.45 C ATOM 143 OG SER A -10 4.083 -2.013 -10.740 1.00 7.05 O ATOM 0 H SER A -10 5.315 -0.610 -9.244 1.00 6.16 H new ATOM 0 HA SER A -10 2.516 -0.160 -9.402 1.00 5.80 H new ATOM 0 HB2 SER A -10 3.940 -2.776 -8.830 1.00 6.45 H new ATOM 0 HB3 SER A -10 2.411 -2.538 -9.652 1.00 6.45 H new ATOM 0 HG SER A -10 4.160 -2.905 -11.138 1.00 7.05 H new ATOM 149 N SER A -9 3.722 -1.372 -6.570 1.00 4.65 N ATOM 150 CA SER A -9 3.510 -1.439 -5.136 1.00 4.40 C ATOM 151 C SER A -9 4.857 -1.601 -4.441 1.00 3.47 C ATOM 152 O SER A -9 5.584 -2.568 -4.682 1.00 3.79 O ATOM 153 CB SER A -9 2.569 -2.590 -4.769 1.00 5.30 C ATOM 154 OG SER A -9 2.185 -2.516 -3.405 1.00 6.01 O ATOM 0 H SER A -9 4.616 -1.756 -6.878 1.00 4.65 H new ATOM 0 HA SER A -9 3.037 -0.515 -4.803 1.00 4.40 H new ATOM 0 HB2 SER A -9 1.683 -2.556 -5.403 1.00 5.30 H new ATOM 0 HB3 SER A -9 3.062 -3.543 -4.961 1.00 5.30 H new ATOM 0 HG SER A -9 1.583 -3.260 -3.194 1.00 6.01 H new ATOM 160 N GLY A -8 5.200 -0.634 -3.607 1.00 2.88 N ATOM 161 CA GLY A -8 6.476 -0.649 -2.929 1.00 2.53 C ATOM 162 C GLY A -8 6.454 0.216 -1.694 1.00 2.03 C ATOM 163 O GLY A -8 5.697 1.191 -1.631 1.00 2.46 O ATOM 0 H GLY A -8 4.611 0.169 -3.386 1.00 2.88 H new ATOM 0 HA2 GLY A -8 6.731 -1.672 -2.654 1.00 2.53 H new ATOM 0 HA3 GLY A -8 7.254 -0.298 -3.607 1.00 2.53 H new ATOM 167 N LEU A -7 7.283 -0.118 -0.725 1.00 1.44 N ATOM 168 CA LEU A -7 7.261 0.566 0.556 1.00 1.02 C ATOM 169 C LEU A -7 8.222 1.750 0.591 1.00 1.01 C ATOM 170 O LEU A -7 9.434 1.595 0.721 1.00 1.40 O ATOM 171 CB LEU A -7 7.510 -0.431 1.700 1.00 0.97 C ATOM 172 CG LEU A -7 8.435 -1.617 1.391 1.00 1.54 C ATOM 173 CD1 LEU A -7 9.902 -1.224 1.464 1.00 2.25 C ATOM 174 CD2 LEU A -7 8.144 -2.765 2.342 1.00 2.06 C ATOM 0 H LEU A -7 7.981 -0.858 -0.799 1.00 1.44 H new ATOM 0 HA LEU A -7 6.266 0.989 0.698 1.00 1.02 H new ATOM 0 HB2 LEU A -7 7.929 0.117 2.544 1.00 0.97 H new ATOM 0 HB3 LEU A -7 6.547 -0.826 2.023 1.00 0.97 H new ATOM 0 HG LEU A -7 8.236 -1.938 0.369 1.00 1.54 H new ATOM 0 HD11 LEU A -7 10.523 -2.091 1.239 1.00 2.25 H new ATOM 0 HD12 LEU A -7 10.104 -0.435 0.739 1.00 2.25 H new ATOM 0 HD13 LEU A -7 10.133 -0.863 2.466 1.00 2.25 H new ATOM 0 HD21 LEU A -7 8.805 -3.602 2.115 1.00 2.06 H new ATOM 0 HD22 LEU A -7 8.311 -2.438 3.368 1.00 2.06 H new ATOM 0 HD23 LEU A -7 7.107 -3.080 2.226 1.00 2.06 H new ATOM 186 N GLU A -6 7.662 2.947 0.456 1.00 1.01 N ATOM 187 CA GLU A -6 8.457 4.170 0.437 1.00 1.15 C ATOM 188 C GLU A -6 7.851 5.238 1.347 1.00 1.03 C ATOM 189 O GLU A -6 8.274 6.395 1.324 1.00 1.77 O ATOM 190 CB GLU A -6 8.553 4.717 -0.990 1.00 1.65 C ATOM 191 CG GLU A -6 9.080 3.717 -2.004 1.00 2.27 C ATOM 192 CD GLU A -6 9.194 4.310 -3.390 1.00 2.92 C ATOM 193 OE1 GLU A -6 10.316 4.670 -3.798 1.00 3.35 O ATOM 194 OE2 GLU A -6 8.158 4.424 -4.078 1.00 3.44 O ATOM 0 H GLU A -6 6.658 3.097 0.358 1.00 1.01 H new ATOM 0 HA GLU A -6 9.453 3.923 0.804 1.00 1.15 H new ATOM 0 HB2 GLU A -6 7.565 5.052 -1.306 1.00 1.65 H new ATOM 0 HB3 GLU A -6 9.202 5.593 -0.989 1.00 1.65 H new ATOM 0 HG2 GLU A -6 10.058 3.359 -1.683 1.00 2.27 H new ATOM 0 HG3 GLU A -6 8.418 2.851 -2.035 1.00 2.27 H new ATOM 201 N VAL A -5 6.864 4.853 2.145 1.00 0.68 N ATOM 202 CA VAL A -5 6.181 5.799 3.018 1.00 0.59 C ATOM 203 C VAL A -5 6.412 5.425 4.480 1.00 0.89 C ATOM 204 O VAL A -5 6.242 4.271 4.869 1.00 1.67 O ATOM 205 CB VAL A -5 4.658 5.863 2.721 1.00 0.46 C ATOM 206 CG1 VAL A -5 4.005 4.520 2.961 1.00 0.71 C ATOM 207 CG2 VAL A -5 3.987 6.943 3.554 1.00 0.85 C ATOM 0 H VAL A -5 6.519 3.895 2.206 1.00 0.68 H new ATOM 0 HA VAL A -5 6.599 6.787 2.824 1.00 0.59 H new ATOM 0 HB VAL A -5 4.532 6.119 1.669 1.00 0.46 H new ATOM 0 HG11 VAL A -5 2.939 4.590 2.746 1.00 0.71 H new ATOM 0 HG12 VAL A -5 4.458 3.773 2.309 1.00 0.71 H new ATOM 0 HG13 VAL A -5 4.147 4.227 4.001 1.00 0.71 H new ATOM 0 HG21 VAL A -5 2.921 6.968 3.328 1.00 0.85 H new ATOM 0 HG22 VAL A -5 4.128 6.726 4.613 1.00 0.85 H new ATOM 0 HG23 VAL A -5 4.430 7.911 3.320 1.00 0.85 H new ATOM 217 N LEU A -4 6.819 6.397 5.283 1.00 0.83 N ATOM 218 CA LEU A -4 7.101 6.148 6.689 1.00 1.12 C ATOM 219 C LEU A -4 6.422 7.186 7.572 1.00 1.15 C ATOM 220 O LEU A -4 6.949 7.573 8.615 1.00 1.67 O ATOM 221 CB LEU A -4 8.613 6.148 6.933 1.00 1.58 C ATOM 222 CG LEU A -4 9.393 5.047 6.209 1.00 2.31 C ATOM 223 CD1 LEU A -4 10.886 5.233 6.410 1.00 3.12 C ATOM 224 CD2 LEU A -4 8.963 3.671 6.699 1.00 2.85 C ATOM 0 H LEU A -4 6.961 7.363 4.986 1.00 0.83 H new ATOM 0 HA LEU A -4 6.702 5.168 6.950 1.00 1.12 H new ATOM 0 HB2 LEU A -4 9.014 7.115 6.628 1.00 1.58 H new ATOM 0 HB3 LEU A -4 8.792 6.053 8.004 1.00 1.58 H new ATOM 0 HG LEU A -4 9.173 5.118 5.144 1.00 2.31 H new ATOM 0 HD11 LEU A -4 11.425 4.442 5.889 1.00 3.12 H new ATOM 0 HD12 LEU A -4 11.189 6.201 6.012 1.00 3.12 H new ATOM 0 HD13 LEU A -4 11.118 5.190 7.474 1.00 3.12 H new ATOM 0 HD21 LEU A -4 9.530 2.904 6.172 1.00 2.85 H new ATOM 0 HD22 LEU A -4 9.152 3.590 7.769 1.00 2.85 H new ATOM 0 HD23 LEU A -4 7.899 3.533 6.507 1.00 2.85 H new ATOM 236 N PHE A -3 5.253 7.642 7.149 1.00 1.03 N ATOM 237 CA PHE A -3 4.488 8.603 7.928 1.00 1.19 C ATOM 238 C PHE A -3 3.001 8.264 7.893 1.00 1.23 C ATOM 239 O PHE A -3 2.446 7.972 6.830 1.00 2.17 O ATOM 240 CB PHE A -3 4.738 10.038 7.433 1.00 1.32 C ATOM 241 CG PHE A -3 4.501 10.255 5.960 1.00 1.09 C ATOM 242 CD1 PHE A -3 5.518 10.042 5.043 1.00 1.05 C ATOM 243 CD2 PHE A -3 3.267 10.684 5.499 1.00 1.27 C ATOM 244 CE1 PHE A -3 5.307 10.254 3.694 1.00 1.10 C ATOM 245 CE2 PHE A -3 3.051 10.896 4.151 1.00 1.30 C ATOM 246 CZ PHE A -3 4.073 10.680 3.247 1.00 1.15 C ATOM 0 H PHE A -3 4.814 7.362 6.272 1.00 1.03 H new ATOM 0 HA PHE A -3 4.825 8.544 8.963 1.00 1.19 H new ATOM 0 HB2 PHE A -3 4.094 10.717 7.993 1.00 1.32 H new ATOM 0 HB3 PHE A -3 5.767 10.312 7.664 1.00 1.32 H new ATOM 0 HD1 PHE A -3 6.486 9.707 5.386 1.00 1.05 H new ATOM 0 HD2 PHE A -3 2.465 10.855 6.201 1.00 1.27 H new ATOM 0 HE1 PHE A -3 6.108 10.086 2.989 1.00 1.10 H new ATOM 0 HE2 PHE A -3 2.084 11.230 3.804 1.00 1.30 H new ATOM 0 HZ PHE A -3 3.907 10.844 2.193 1.00 1.15 H new ATOM 256 N GLN A -2 2.386 8.263 9.072 1.00 0.89 N ATOM 257 CA GLN A -2 0.956 8.004 9.233 1.00 0.86 C ATOM 258 C GLN A -2 0.572 6.629 8.678 1.00 1.00 C ATOM 259 O GLN A -2 -0.130 6.524 7.668 1.00 1.69 O ATOM 260 CB GLN A -2 0.130 9.112 8.566 1.00 1.18 C ATOM 261 CG GLN A -2 -1.347 9.072 8.925 1.00 1.89 C ATOM 262 CD GLN A -2 -1.588 9.130 10.421 1.00 2.22 C ATOM 263 OE1 GLN A -2 -1.639 8.100 11.094 1.00 2.74 O ATOM 264 NE2 GLN A -2 -1.747 10.330 10.953 1.00 2.71 N ATOM 0 H GLN A -2 2.870 8.444 9.952 1.00 0.89 H new ATOM 0 HA GLN A -2 0.734 8.002 10.300 1.00 0.86 H new ATOM 0 HB2 GLN A -2 0.539 10.081 8.853 1.00 1.18 H new ATOM 0 HB3 GLN A -2 0.234 9.030 7.484 1.00 1.18 H new ATOM 0 HG2 GLN A -2 -1.856 9.909 8.447 1.00 1.89 H new ATOM 0 HG3 GLN A -2 -1.789 8.160 8.525 1.00 1.89 H new ATOM 0 HE21 GLN A -2 -1.698 11.160 10.362 1.00 2.71 H new ATOM 0 HE22 GLN A -2 -1.919 10.425 11.954 1.00 2.71 H new ATOM 273 N GLY A -1 1.044 5.577 9.336 1.00 0.85 N ATOM 274 CA GLY A -1 0.721 4.231 8.908 1.00 1.20 C ATOM 275 C GLY A -1 1.573 3.172 9.585 1.00 0.93 C ATOM 276 O GLY A -1 2.790 3.147 9.410 1.00 1.43 O ATOM 0 H GLY A -1 1.645 5.633 10.158 1.00 0.85 H new ATOM 0 HA2 GLY A -1 -0.330 4.032 9.117 1.00 1.20 H new ATOM 0 HA3 GLY A -1 0.851 4.158 7.828 1.00 1.20 H new ATOM 280 N PRO A 0 0.952 2.282 10.375 1.00 0.95 N ATOM 281 CA PRO A 0 1.648 1.185 11.042 1.00 1.19 C ATOM 282 C PRO A 0 1.695 -0.088 10.186 1.00 1.08 C ATOM 283 O PRO A 0 1.788 -0.020 8.960 1.00 1.62 O ATOM 284 CB PRO A 0 0.785 0.982 12.287 1.00 1.86 C ATOM 285 CG PRO A 0 -0.605 1.292 11.836 1.00 2.08 C ATOM 286 CD PRO A 0 -0.485 2.287 10.704 1.00 1.60 C ATOM 0 HA PRO A 0 2.696 1.404 11.249 1.00 1.19 H new ATOM 0 HB2 PRO A 0 0.862 -0.039 12.661 1.00 1.86 H new ATOM 0 HB3 PRO A 0 1.096 1.642 13.097 1.00 1.86 H new ATOM 0 HG2 PRO A 0 -1.114 0.388 11.503 1.00 2.08 H new ATOM 0 HG3 PRO A 0 -1.194 1.707 12.654 1.00 2.08 H new ATOM 0 HD2 PRO A 0 -1.091 1.992 9.848 1.00 1.60 H new ATOM 0 HD3 PRO A 0 -0.822 3.279 11.007 1.00 1.60 H new ATOM 294 N ARG A 1 1.651 -1.244 10.842 1.00 1.01 N ATOM 295 CA ARG A 1 1.629 -2.532 10.156 1.00 1.19 C ATOM 296 C ARG A 1 0.388 -3.319 10.578 1.00 0.86 C ATOM 297 O ARG A 1 -0.548 -2.738 11.132 1.00 1.02 O ATOM 298 CB ARG A 1 2.899 -3.317 10.485 1.00 1.95 C ATOM 299 CG ARG A 1 4.167 -2.664 9.962 1.00 2.38 C ATOM 300 CD ARG A 1 5.406 -3.410 10.418 1.00 3.12 C ATOM 301 NE ARG A 1 5.554 -3.387 11.871 1.00 3.69 N ATOM 302 CZ ARG A 1 6.519 -4.021 12.530 1.00 4.54 C ATOM 303 NH1 ARG A 1 7.409 -4.753 11.873 1.00 4.90 N ATOM 304 NH2 ARG A 1 6.589 -3.930 13.850 1.00 5.35 N ATOM 0 H ARG A 1 1.630 -1.314 11.859 1.00 1.01 H new ATOM 0 HA ARG A 1 1.591 -2.369 9.079 1.00 1.19 H new ATOM 0 HB2 ARG A 1 2.977 -3.430 11.566 1.00 1.95 H new ATOM 0 HB3 ARG A 1 2.816 -4.319 10.065 1.00 1.95 H new ATOM 0 HG2 ARG A 1 4.139 -2.634 8.873 1.00 2.38 H new ATOM 0 HG3 ARG A 1 4.215 -1.631 10.308 1.00 2.38 H new ATOM 0 HD2 ARG A 1 5.354 -4.443 10.075 1.00 3.12 H new ATOM 0 HD3 ARG A 1 6.288 -2.965 9.957 1.00 3.12 H new ATOM 0 HE ARG A 1 4.876 -2.852 12.413 1.00 3.69 H new ATOM 0 HH11 ARG A 1 7.355 -4.831 10.857 1.00 4.90 H new ATOM 0 HH12 ARG A 1 8.147 -5.237 12.383 1.00 4.90 H new ATOM 0 HH21 ARG A 1 5.903 -3.374 14.360 1.00 5.35 H new ATOM 0 HH22 ARG A 1 7.329 -4.416 14.356 1.00 5.35 H new ATOM 318 N ARG A 2 0.383 -4.632 10.320 1.00 0.78 N ATOM 319 CA ARG A 2 -0.771 -5.484 10.652 1.00 0.56 C ATOM 320 C ARG A 2 -0.506 -6.939 10.233 1.00 0.65 C ATOM 321 O ARG A 2 -1.218 -7.853 10.651 1.00 1.49 O ATOM 322 CB ARG A 2 -2.066 -4.957 9.993 1.00 0.50 C ATOM 323 CG ARG A 2 -3.234 -4.805 10.945 1.00 0.88 C ATOM 324 CD ARG A 2 -3.732 -6.137 11.465 1.00 1.32 C ATOM 325 NE ARG A 2 -4.906 -5.982 12.324 1.00 1.72 N ATOM 326 CZ ARG A 2 -5.944 -6.818 12.333 1.00 2.37 C ATOM 327 NH1 ARG A 2 -5.957 -7.881 11.535 1.00 2.94 N ATOM 328 NH2 ARG A 2 -6.973 -6.589 13.144 1.00 2.90 N ATOM 0 H ARG A 2 1.160 -5.128 9.884 1.00 0.78 H new ATOM 0 HA ARG A 2 -0.909 -5.453 11.733 1.00 0.56 H new ATOM 0 HB2 ARG A 2 -1.859 -3.990 9.534 1.00 0.50 H new ATOM 0 HB3 ARG A 2 -2.353 -5.636 9.190 1.00 0.50 H new ATOM 0 HG2 ARG A 2 -2.935 -4.179 11.786 1.00 0.88 H new ATOM 0 HG3 ARG A 2 -4.049 -4.289 10.437 1.00 0.88 H new ATOM 0 HD2 ARG A 2 -3.980 -6.785 10.625 1.00 1.32 H new ATOM 0 HD3 ARG A 2 -2.936 -6.630 12.023 1.00 1.32 H new ATOM 0 HE ARG A 2 -4.932 -5.183 12.957 1.00 1.72 H new ATOM 0 HH11 ARG A 2 -5.170 -8.060 10.912 1.00 2.94 H new ATOM 0 HH12 ARG A 2 -6.754 -8.517 11.546 1.00 2.94 H new ATOM 0 HH21 ARG A 2 -6.967 -5.774 13.758 1.00 2.90 H new ATOM 0 HH22 ARG A 2 -7.768 -7.228 13.152 1.00 2.90 H new ATOM 342 N ALA A 3 0.517 -7.130 9.396 1.00 0.64 N ATOM 343 CA ALA A 3 1.011 -8.464 9.006 1.00 0.58 C ATOM 344 C ALA A 3 0.007 -9.272 8.172 1.00 0.60 C ATOM 345 O ALA A 3 -0.046 -9.132 6.948 1.00 1.09 O ATOM 346 CB ALA A 3 1.450 -9.255 10.230 1.00 0.69 C ATOM 0 H ALA A 3 1.032 -6.363 8.965 1.00 0.64 H new ATOM 0 HA ALA A 3 1.872 -8.290 8.360 1.00 0.58 H new ATOM 0 HB1 ALA A 3 1.811 -10.236 9.919 1.00 0.69 H new ATOM 0 HB2 ALA A 3 2.250 -8.720 10.742 1.00 0.69 H new ATOM 0 HB3 ALA A 3 0.604 -9.377 10.907 1.00 0.69 H new ATOM 352 N GLY A 4 -0.787 -10.111 8.829 1.00 0.44 N ATOM 353 CA GLY A 4 -1.655 -11.042 8.124 1.00 0.52 C ATOM 354 C GLY A 4 -3.038 -10.470 7.860 1.00 0.39 C ATOM 355 O GLY A 4 -4.035 -11.022 8.318 1.00 0.54 O ATOM 0 H GLY A 4 -0.846 -10.164 9.846 1.00 0.44 H new ATOM 0 HA2 GLY A 4 -1.193 -11.316 7.176 1.00 0.52 H new ATOM 0 HA3 GLY A 4 -1.750 -11.957 8.709 1.00 0.52 H new ATOM 359 N THR A 5 -3.111 -9.360 7.138 1.00 0.26 N ATOM 360 CA THR A 5 -4.383 -8.693 6.902 1.00 0.18 C ATOM 361 C THR A 5 -4.670 -8.600 5.405 1.00 0.14 C ATOM 362 O THR A 5 -3.907 -9.125 4.607 1.00 0.15 O ATOM 363 CB THR A 5 -4.334 -7.292 7.534 1.00 0.25 C ATOM 364 OG1 THR A 5 -3.544 -7.363 8.723 1.00 0.38 O ATOM 365 CG2 THR A 5 -5.727 -6.779 7.899 1.00 0.34 C ATOM 0 H THR A 5 -2.307 -8.904 6.707 1.00 0.26 H new ATOM 0 HA THR A 5 -5.188 -9.269 7.359 1.00 0.18 H new ATOM 0 HB THR A 5 -3.904 -6.603 6.807 1.00 0.25 H new ATOM 0 HG1 THR A 5 -3.802 -8.154 9.241 1.00 0.38 H new ATOM 0 HG21 THR A 5 -5.645 -5.787 8.342 1.00 0.34 H new ATOM 0 HG22 THR A 5 -6.342 -6.725 7.001 1.00 0.34 H new ATOM 0 HG23 THR A 5 -6.189 -7.459 8.615 1.00 0.34 H new ATOM 373 N CYS A 6 -5.775 -7.953 5.037 1.00 0.15 N ATOM 374 CA CYS A 6 -6.139 -7.752 3.632 1.00 0.14 C ATOM 375 C CYS A 6 -6.371 -6.278 3.334 1.00 0.13 C ATOM 376 O CYS A 6 -6.820 -5.527 4.203 1.00 0.15 O ATOM 377 CB CYS A 6 -7.397 -8.549 3.315 1.00 0.17 C ATOM 378 SG CYS A 6 -8.688 -8.411 4.573 1.00 0.86 S ATOM 0 H CYS A 6 -6.441 -7.555 5.699 1.00 0.15 H new ATOM 0 HA CYS A 6 -5.316 -8.099 3.007 1.00 0.14 H new ATOM 0 HB2 CYS A 6 -7.798 -8.212 2.359 1.00 0.17 H new ATOM 0 HB3 CYS A 6 -7.130 -9.599 3.196 1.00 0.17 H new ATOM 0 HG CYS A 6 -9.718 -9.119 4.217 1.00 0.86 H new ATOM 384 N CYS A 7 -6.068 -5.856 2.104 1.00 0.12 N ATOM 385 CA CYS A 7 -6.134 -4.435 1.778 1.00 0.11 C ATOM 386 C CYS A 7 -7.587 -3.981 1.576 1.00 0.10 C ATOM 387 O CYS A 7 -8.322 -4.589 0.796 1.00 0.10 O ATOM 388 CB CYS A 7 -5.284 -4.074 0.535 1.00 0.14 C ATOM 389 SG CYS A 7 -5.324 -2.292 0.176 1.00 0.21 S ATOM 0 H CYS A 7 -5.782 -6.463 1.336 1.00 0.12 H new ATOM 0 HA CYS A 7 -5.712 -3.902 2.630 1.00 0.11 H new ATOM 0 HB2 CYS A 7 -4.253 -4.388 0.697 1.00 0.14 H new ATOM 0 HB3 CYS A 7 -5.653 -4.626 -0.329 1.00 0.14 H new ATOM 394 N ALA A 8 -7.980 -2.902 2.279 1.00 0.13 N ATOM 395 CA ALA A 8 -9.294 -2.242 2.135 1.00 0.17 C ATOM 396 C ALA A 8 -9.523 -1.673 0.726 1.00 0.21 C ATOM 397 O ALA A 8 -10.306 -0.741 0.537 1.00 0.31 O ATOM 398 CB ALA A 8 -9.431 -1.117 3.158 1.00 0.18 C ATOM 0 H ALA A 8 -7.383 -2.456 2.976 1.00 0.13 H new ATOM 0 HA ALA A 8 -10.049 -3.009 2.308 1.00 0.17 H new ATOM 0 HB1 ALA A 8 -10.403 -0.637 3.043 1.00 0.18 H new ATOM 0 HB2 ALA A 8 -9.346 -1.528 4.164 1.00 0.18 H new ATOM 0 HB3 ALA A 8 -8.642 -0.382 2.998 1.00 0.18 H new ATOM 404 N ASN A 9 -8.841 -2.248 -0.247 1.00 0.18 N ATOM 405 CA ASN A 9 -8.847 -1.758 -1.616 1.00 0.23 C ATOM 406 C ASN A 9 -8.398 -2.848 -2.591 1.00 0.24 C ATOM 407 O ASN A 9 -9.002 -3.024 -3.643 1.00 0.32 O ATOM 408 CB ASN A 9 -7.943 -0.525 -1.737 1.00 0.26 C ATOM 409 CG ASN A 9 -7.818 -0.027 -3.171 1.00 0.38 C ATOM 410 OD1 ASN A 9 -8.655 0.732 -3.656 1.00 0.53 O ATOM 411 ND2 ASN A 9 -6.750 -0.437 -3.848 1.00 0.57 N ATOM 0 H ASN A 9 -8.261 -3.076 -0.110 1.00 0.18 H new ATOM 0 HA ASN A 9 -9.867 -1.476 -1.875 1.00 0.23 H new ATOM 0 HB2 ASN A 9 -8.341 0.275 -1.112 1.00 0.26 H new ATOM 0 HB3 ASN A 9 -6.952 -0.767 -1.353 1.00 0.26 H new ATOM 0 HD21 ASN A 9 -6.602 -0.121 -4.807 1.00 0.57 H new ATOM 0 HD22 ASN A 9 -6.079 -1.067 -3.409 1.00 0.57 H new ATOM 418 N CYS A 10 -7.342 -3.592 -2.245 1.00 0.21 N ATOM 419 CA CYS A 10 -6.806 -4.589 -3.168 1.00 0.28 C ATOM 420 C CYS A 10 -7.032 -6.020 -2.672 1.00 0.22 C ATOM 421 O CYS A 10 -6.739 -6.977 -3.384 1.00 0.31 O ATOM 422 CB CYS A 10 -5.312 -4.350 -3.411 1.00 0.52 C ATOM 423 SG CYS A 10 -4.876 -2.623 -3.612 1.00 0.76 S ATOM 0 H CYS A 10 -6.853 -3.524 -1.352 1.00 0.21 H new ATOM 0 HA CYS A 10 -7.348 -4.476 -4.107 1.00 0.28 H new ATOM 0 HB2 CYS A 10 -4.747 -4.762 -2.575 1.00 0.52 H new ATOM 0 HB3 CYS A 10 -5.007 -4.898 -4.303 1.00 0.52 H new ATOM 428 N GLN A 11 -7.579 -6.146 -1.457 1.00 0.18 N ATOM 429 CA GLN A 11 -7.793 -7.429 -0.780 1.00 0.21 C ATOM 430 C GLN A 11 -6.601 -8.400 -0.870 1.00 0.26 C ATOM 431 O GLN A 11 -6.754 -9.598 -0.631 1.00 0.34 O ATOM 432 CB GLN A 11 -9.069 -8.055 -1.329 1.00 0.24 C ATOM 433 CG GLN A 11 -10.327 -7.304 -0.923 1.00 0.74 C ATOM 434 CD GLN A 11 -11.579 -7.821 -1.606 1.00 1.26 C ATOM 435 OE1 GLN A 11 -11.623 -9.114 -1.872 1.00 1.77 O flip ATOM 436 NE2 GLN A 11 -12.506 -7.063 -1.886 1.00 1.90 N flip ATOM 0 H GLN A 11 -7.890 -5.345 -0.908 1.00 0.18 H new ATOM 0 HA GLN A 11 -7.893 -7.227 0.287 1.00 0.21 H new ATOM 0 HB2 GLN A 11 -9.010 -8.090 -2.417 1.00 0.24 H new ATOM 0 HB3 GLN A 11 -9.140 -9.085 -0.980 1.00 0.24 H new ATOM 0 HG2 GLN A 11 -10.454 -7.378 0.157 1.00 0.74 H new ATOM 0 HG3 GLN A 11 -10.203 -6.247 -1.158 1.00 0.74 H new ATOM 0 HE21 GLN A 11 -12.437 -6.070 -1.665 1.00 1.90 H new ATOM 0 HE22 GLN A 11 -13.344 -7.428 -2.339 1.00 1.90 H new ATOM 445 N THR A 12 -5.423 -7.880 -1.200 1.00 0.25 N ATOM 446 CA THR A 12 -4.201 -8.652 -1.146 1.00 0.26 C ATOM 447 C THR A 12 -3.811 -8.856 0.302 1.00 0.21 C ATOM 448 O THR A 12 -4.254 -8.114 1.184 1.00 0.19 O ATOM 449 CB THR A 12 -3.027 -7.957 -1.893 1.00 0.28 C ATOM 450 OG1 THR A 12 -1.972 -8.900 -2.129 1.00 0.33 O ATOM 451 CG2 THR A 12 -2.463 -6.784 -1.085 1.00 0.24 C ATOM 0 H THR A 12 -5.296 -6.917 -1.510 1.00 0.25 H new ATOM 0 HA THR A 12 -4.390 -9.605 -1.641 1.00 0.26 H new ATOM 0 HB THR A 12 -3.418 -7.578 -2.837 1.00 0.28 H new ATOM 0 HG1 THR A 12 -1.236 -8.457 -2.601 1.00 0.33 H new ATOM 0 HG21 THR A 12 -1.645 -6.322 -1.637 1.00 0.24 H new ATOM 0 HG22 THR A 12 -3.248 -6.047 -0.916 1.00 0.24 H new ATOM 0 HG23 THR A 12 -2.094 -7.147 -0.126 1.00 0.24 H new ATOM 459 N THR A 13 -3.001 -9.859 0.539 1.00 0.22 N ATOM 460 CA THR A 13 -2.503 -10.137 1.868 1.00 0.23 C ATOM 461 C THR A 13 -0.996 -10.246 1.832 1.00 0.26 C ATOM 462 O THR A 13 -0.329 -10.441 2.850 1.00 0.42 O ATOM 463 CB THR A 13 -3.143 -11.413 2.440 1.00 0.28 C ATOM 464 OG1 THR A 13 -3.017 -12.493 1.502 1.00 0.33 O ATOM 465 CG2 THR A 13 -4.613 -11.164 2.735 1.00 0.28 C ATOM 0 H THR A 13 -2.669 -10.504 -0.178 1.00 0.22 H new ATOM 0 HA THR A 13 -2.777 -9.315 2.529 1.00 0.23 H new ATOM 0 HB THR A 13 -2.629 -11.681 3.363 1.00 0.28 H new ATOM 0 HG1 THR A 13 -3.426 -13.301 1.877 1.00 0.33 H new ATOM 0 HG21 THR A 13 -5.062 -12.071 3.140 1.00 0.28 H new ATOM 0 HG22 THR A 13 -4.707 -10.357 3.462 1.00 0.28 H new ATOM 0 HG23 THR A 13 -5.127 -10.885 1.815 1.00 0.28 H new ATOM 473 N THR A 14 -0.470 -10.088 0.633 1.00 0.22 N ATOM 474 CA THR A 14 0.945 -10.086 0.413 1.00 0.26 C ATOM 475 C THR A 14 1.468 -8.657 0.406 1.00 0.23 C ATOM 476 O THR A 14 1.750 -8.087 -0.649 1.00 0.36 O ATOM 477 CB THR A 14 1.262 -10.761 -0.925 1.00 0.38 C ATOM 478 OG1 THR A 14 0.107 -11.481 -1.379 1.00 1.26 O ATOM 479 CG2 THR A 14 2.412 -11.721 -0.773 1.00 1.04 C ATOM 0 H THR A 14 -1.023 -9.957 -0.214 1.00 0.22 H new ATOM 0 HA THR A 14 1.431 -10.638 1.218 1.00 0.26 H new ATOM 0 HB THR A 14 1.535 -9.993 -1.648 1.00 0.38 H new ATOM 0 HG1 THR A 14 0.306 -11.913 -2.236 1.00 1.26 H new ATOM 0 HG21 THR A 14 2.623 -12.191 -1.734 1.00 1.04 H new ATOM 0 HG22 THR A 14 3.295 -11.180 -0.432 1.00 1.04 H new ATOM 0 HG23 THR A 14 2.152 -12.488 -0.043 1.00 1.04 H new ATOM 487 N THR A 15 1.570 -8.074 1.585 1.00 0.17 N ATOM 488 CA THR A 15 2.038 -6.700 1.715 1.00 0.17 C ATOM 489 C THR A 15 2.731 -6.504 3.064 1.00 0.20 C ATOM 490 O THR A 15 2.271 -7.016 4.085 1.00 0.26 O ATOM 491 CB THR A 15 0.899 -5.659 1.533 1.00 0.20 C ATOM 492 OG1 THR A 15 0.249 -5.872 0.275 1.00 0.40 O ATOM 493 CG2 THR A 15 1.468 -4.254 1.562 1.00 0.29 C ATOM 0 H THR A 15 1.336 -8.527 2.469 1.00 0.17 H new ATOM 0 HA THR A 15 2.753 -6.528 0.911 1.00 0.17 H new ATOM 0 HB THR A 15 0.182 -5.777 2.346 1.00 0.20 H new ATOM 0 HG1 THR A 15 0.694 -5.340 -0.417 1.00 0.40 H new ATOM 0 HG21 THR A 15 0.661 -3.532 1.434 1.00 0.29 H new ATOM 0 HG22 THR A 15 1.961 -4.081 2.519 1.00 0.29 H new ATOM 0 HG23 THR A 15 2.191 -4.138 0.755 1.00 0.29 H new ATOM 501 N THR A 16 3.848 -5.784 3.059 1.00 0.25 N ATOM 502 CA THR A 16 4.673 -5.641 4.251 1.00 0.31 C ATOM 503 C THR A 16 4.260 -4.424 5.088 1.00 0.25 C ATOM 504 O THR A 16 4.632 -4.312 6.256 1.00 0.30 O ATOM 505 CB THR A 16 6.165 -5.524 3.868 1.00 0.43 C ATOM 506 OG1 THR A 16 6.450 -6.397 2.766 1.00 0.51 O ATOM 507 CG2 THR A 16 7.062 -5.889 5.042 1.00 0.54 C ATOM 0 H THR A 16 4.203 -5.290 2.240 1.00 0.25 H new ATOM 0 HA THR A 16 4.522 -6.536 4.855 1.00 0.31 H new ATOM 0 HB THR A 16 6.364 -4.490 3.587 1.00 0.43 H new ATOM 0 HG1 THR A 16 7.396 -6.320 2.524 1.00 0.51 H new ATOM 0 HG21 THR A 16 8.106 -5.798 4.744 1.00 0.54 H new ATOM 0 HG22 THR A 16 6.862 -5.216 5.876 1.00 0.54 H new ATOM 0 HG23 THR A 16 6.860 -6.915 5.349 1.00 0.54 H new ATOM 515 N LEU A 17 3.460 -3.533 4.510 1.00 0.21 N ATOM 516 CA LEU A 17 3.087 -2.297 5.220 1.00 0.21 C ATOM 517 C LEU A 17 1.586 -2.097 5.176 1.00 0.18 C ATOM 518 O LEU A 17 1.018 -1.819 4.120 1.00 0.29 O ATOM 519 CB LEU A 17 3.768 -1.049 4.627 1.00 0.35 C ATOM 520 CG LEU A 17 3.924 0.119 5.619 1.00 0.45 C ATOM 521 CD1 LEU A 17 4.473 -0.371 6.952 1.00 0.79 C ATOM 522 CD2 LEU A 17 4.837 1.201 5.061 1.00 0.76 C ATOM 0 H LEU A 17 3.062 -3.631 3.576 1.00 0.21 H new ATOM 0 HA LEU A 17 3.426 -2.416 6.249 1.00 0.21 H new ATOM 0 HB2 LEU A 17 4.754 -1.329 4.256 1.00 0.35 H new ATOM 0 HB3 LEU A 17 3.189 -0.707 3.769 1.00 0.35 H new ATOM 0 HG LEU A 17 2.933 0.545 5.775 1.00 0.45 H new ATOM 0 HD11 LEU A 17 4.574 0.472 7.636 1.00 0.79 H new ATOM 0 HD12 LEU A 17 3.790 -1.105 7.379 1.00 0.79 H new ATOM 0 HD13 LEU A 17 5.449 -0.831 6.797 1.00 0.79 H new ATOM 0 HD21 LEU A 17 4.926 2.011 5.785 1.00 0.76 H new ATOM 0 HD22 LEU A 17 5.823 0.780 4.865 1.00 0.76 H new ATOM 0 HD23 LEU A 17 4.417 1.589 4.133 1.00 0.76 H new ATOM 534 N TRP A 18 0.947 -2.251 6.320 1.00 0.13 N ATOM 535 CA TRP A 18 -0.470 -2.027 6.423 1.00 0.11 C ATOM 536 C TRP A 18 -0.760 -0.688 7.101 1.00 0.12 C ATOM 537 O TRP A 18 -0.876 -0.600 8.324 1.00 0.18 O ATOM 538 CB TRP A 18 -1.100 -3.169 7.210 1.00 0.11 C ATOM 539 CG TRP A 18 -0.911 -4.490 6.553 1.00 0.10 C ATOM 540 CD1 TRP A 18 0.061 -5.397 6.817 1.00 0.12 C ATOM 541 CD2 TRP A 18 -1.715 -5.056 5.512 1.00 0.08 C ATOM 542 NE1 TRP A 18 -0.099 -6.492 6.031 1.00 0.12 N ATOM 543 CE2 TRP A 18 -1.177 -6.313 5.221 1.00 0.09 C ATOM 544 CE3 TRP A 18 -2.836 -4.628 4.807 1.00 0.09 C ATOM 545 CZ2 TRP A 18 -1.719 -7.152 4.265 1.00 0.09 C ATOM 546 CZ3 TRP A 18 -3.387 -5.458 3.852 1.00 0.09 C ATOM 547 CH2 TRP A 18 -2.839 -6.705 3.588 1.00 0.08 C ATOM 0 H TRP A 18 1.396 -2.532 7.192 1.00 0.13 H new ATOM 0 HA TRP A 18 -0.900 -1.994 5.422 1.00 0.11 H new ATOM 0 HB2 TRP A 18 -0.666 -3.199 8.209 1.00 0.11 H new ATOM 0 HB3 TRP A 18 -2.166 -2.977 7.331 1.00 0.11 H new ATOM 0 HD1 TRP A 18 0.847 -5.267 7.546 1.00 0.12 H new ATOM 0 HE1 TRP A 18 0.496 -7.320 6.045 1.00 0.12 H new ATOM 0 HE3 TRP A 18 -3.269 -3.659 5.005 1.00 0.09 H new ATOM 0 HZ2 TRP A 18 -1.285 -8.118 4.055 1.00 0.09 H new ATOM 0 HZ3 TRP A 18 -4.258 -5.132 3.302 1.00 0.09 H new ATOM 0 HH2 TRP A 18 -3.295 -7.338 2.841 1.00 0.08 H new ATOM 558 N ARG A 19 -0.916 0.336 6.282 1.00 0.12 N ATOM 559 CA ARG A 19 -1.296 1.679 6.757 1.00 0.13 C ATOM 560 C ARG A 19 -2.819 1.777 6.849 1.00 0.13 C ATOM 561 O ARG A 19 -3.520 0.840 6.480 1.00 0.15 O ATOM 562 CB ARG A 19 -0.726 2.749 5.806 1.00 0.19 C ATOM 563 CG ARG A 19 0.224 2.178 4.755 1.00 0.28 C ATOM 564 CD ARG A 19 1.176 3.227 4.214 1.00 0.29 C ATOM 565 NE ARG A 19 2.127 3.645 5.245 1.00 0.61 N ATOM 566 CZ ARG A 19 2.194 4.870 5.761 1.00 1.00 C ATOM 567 NH1 ARG A 19 1.384 5.832 5.326 1.00 2.03 N ATOM 568 NH2 ARG A 19 3.086 5.139 6.706 1.00 1.09 N ATOM 0 H ARG A 19 -0.787 0.274 5.272 1.00 0.12 H new ATOM 0 HA ARG A 19 -0.880 1.851 7.750 1.00 0.13 H new ATOM 0 HB2 ARG A 19 -1.550 3.255 5.304 1.00 0.19 H new ATOM 0 HB3 ARG A 19 -0.199 3.502 6.392 1.00 0.19 H new ATOM 0 HG2 ARG A 19 0.797 1.360 5.192 1.00 0.28 H new ATOM 0 HG3 ARG A 19 -0.356 1.758 3.933 1.00 0.28 H new ATOM 0 HD2 ARG A 19 1.716 2.827 3.355 1.00 0.29 H new ATOM 0 HD3 ARG A 19 0.611 4.090 3.862 1.00 0.29 H new ATOM 0 HE ARG A 19 2.785 2.948 5.593 1.00 0.61 H new ATOM 0 HH11 ARG A 19 0.705 5.633 4.591 1.00 2.03 H new ATOM 0 HH12 ARG A 19 1.442 6.768 5.727 1.00 2.03 H new ATOM 0 HH21 ARG A 19 3.717 4.408 7.034 1.00 1.09 H new ATOM 0 HH22 ARG A 19 3.140 6.077 7.104 1.00 1.09 H new ATOM 582 N ARG A 20 -3.332 2.877 7.396 1.00 0.15 N ATOM 583 CA ARG A 20 -4.770 3.073 7.498 1.00 0.17 C ATOM 584 C ARG A 20 -5.286 4.006 6.410 1.00 0.19 C ATOM 585 O ARG A 20 -4.570 4.900 5.954 1.00 0.25 O ATOM 586 CB ARG A 20 -5.140 3.659 8.858 1.00 0.28 C ATOM 587 CG ARG A 20 -5.026 2.695 10.023 1.00 1.13 C ATOM 588 CD ARG A 20 -5.179 1.236 9.612 1.00 1.98 C ATOM 589 NE ARG A 20 -5.136 0.350 10.776 1.00 2.63 N ATOM 590 CZ ARG A 20 -4.176 -0.550 11.009 1.00 3.24 C ATOM 591 NH1 ARG A 20 -3.186 -0.723 10.138 1.00 3.59 N ATOM 592 NH2 ARG A 20 -4.212 -1.278 12.118 1.00 3.90 N ATOM 0 H ARG A 20 -2.773 3.642 7.773 1.00 0.15 H new ATOM 0 HA ARG A 20 -5.233 2.094 7.377 1.00 0.17 H new ATOM 0 HB2 ARG A 20 -4.499 4.519 9.053 1.00 0.28 H new ATOM 0 HB3 ARG A 20 -6.164 4.029 8.811 1.00 0.28 H new ATOM 0 HG2 ARG A 20 -4.058 2.830 10.505 1.00 1.13 H new ATOM 0 HG3 ARG A 20 -5.787 2.939 10.764 1.00 1.13 H new ATOM 0 HD2 ARG A 20 -6.123 1.101 9.084 1.00 1.98 H new ATOM 0 HD3 ARG A 20 -4.384 0.966 8.917 1.00 1.98 H new ATOM 0 HE ARG A 20 -5.892 0.425 11.457 1.00 2.63 H new ATOM 0 HH11 ARG A 20 -3.155 -0.166 9.284 1.00 3.59 H new ATOM 0 HH12 ARG A 20 -2.458 -1.412 10.324 1.00 3.59 H new ATOM 0 HH21 ARG A 20 -4.970 -1.149 12.788 1.00 3.90 H new ATOM 0 HH22 ARG A 20 -3.482 -1.966 12.300 1.00 3.90 H new ATOM 606 N ASN A 21 -6.528 3.778 5.998 1.00 0.18 N ATOM 607 CA ASN A 21 -7.214 4.691 5.081 1.00 0.18 C ATOM 608 C ASN A 21 -8.044 5.695 5.891 1.00 0.17 C ATOM 609 O ASN A 21 -7.945 5.695 7.119 1.00 0.17 O ATOM 610 CB ASN A 21 -8.119 3.954 4.064 1.00 0.19 C ATOM 611 CG ASN A 21 -9.446 3.446 4.636 1.00 0.17 C ATOM 612 OD1 ASN A 21 -9.810 3.708 5.786 1.00 0.18 O ATOM 613 ND2 ASN A 21 -10.194 2.719 3.827 1.00 0.20 N ATOM 0 H ASN A 21 -7.083 2.971 6.282 1.00 0.18 H new ATOM 0 HA ASN A 21 -6.449 5.209 4.502 1.00 0.18 H new ATOM 0 HB2 ASN A 21 -8.331 4.627 3.233 1.00 0.19 H new ATOM 0 HB3 ASN A 21 -7.568 3.107 3.655 1.00 0.19 H new ATOM 0 HD21 ASN A 21 -11.093 2.361 4.148 1.00 0.20 H new ATOM 0 HD22 ASN A 21 -9.873 2.515 2.881 1.00 0.20 H new ATOM 620 N ALA A 22 -8.932 6.458 5.222 1.00 0.19 N ATOM 621 CA ALA A 22 -9.636 7.587 5.840 1.00 0.24 C ATOM 622 C ALA A 22 -10.321 7.238 7.162 1.00 0.26 C ATOM 623 O ALA A 22 -10.393 8.074 8.063 1.00 0.36 O ATOM 624 CB ALA A 22 -10.671 8.140 4.874 1.00 0.29 C ATOM 0 H ALA A 22 -9.177 6.306 4.244 1.00 0.19 H new ATOM 0 HA ALA A 22 -8.873 8.332 6.066 1.00 0.24 H new ATOM 0 HB1 ALA A 22 -11.191 8.978 5.338 1.00 0.29 H new ATOM 0 HB2 ALA A 22 -10.175 8.479 3.964 1.00 0.29 H new ATOM 0 HB3 ALA A 22 -11.390 7.360 4.626 1.00 0.29 H new ATOM 630 N ASN A 23 -10.801 6.011 7.295 1.00 0.25 N ATOM 631 CA ASN A 23 -11.605 5.648 8.447 1.00 0.33 C ATOM 632 C ASN A 23 -10.815 4.715 9.339 1.00 0.24 C ATOM 633 O ASN A 23 -11.344 4.121 10.279 1.00 0.35 O ATOM 634 CB ASN A 23 -12.916 4.997 8.014 1.00 0.51 C ATOM 635 CG ASN A 23 -13.989 5.079 9.102 1.00 0.85 C ATOM 636 OD1 ASN A 23 -13.886 5.898 10.015 1.00 1.16 O ATOM 637 ND2 ASN A 23 -15.055 4.283 9.001 1.00 1.61 N ATOM 0 H ASN A 23 -10.649 5.257 6.625 1.00 0.25 H new ATOM 0 HA ASN A 23 -11.853 6.552 9.004 1.00 0.33 H new ATOM 0 HB2 ASN A 23 -13.280 5.484 7.109 1.00 0.51 H new ATOM 0 HB3 ASN A 23 -12.735 3.952 7.762 1.00 0.51 H new ATOM 0 HD21 ASN A 23 -15.806 4.346 9.689 1.00 1.61 H new ATOM 0 HD22 ASN A 23 -15.119 3.611 8.236 1.00 1.61 H new ATOM 644 N GLY A 24 -9.533 4.590 9.029 1.00 0.17 N ATOM 645 CA GLY A 24 -8.665 3.756 9.814 1.00 0.20 C ATOM 646 C GLY A 24 -8.658 2.322 9.339 1.00 0.18 C ATOM 647 O GLY A 24 -8.400 1.407 10.120 1.00 0.22 O ATOM 0 H GLY A 24 -9.082 5.057 8.242 1.00 0.17 H new ATOM 0 HA2 GLY A 24 -7.651 4.154 9.775 1.00 0.20 H new ATOM 0 HA3 GLY A 24 -8.980 3.789 10.857 1.00 0.20 H new ATOM 651 N ASP A 25 -8.937 2.117 8.059 1.00 0.15 N ATOM 652 CA ASP A 25 -8.997 0.758 7.525 1.00 0.16 C ATOM 653 C ASP A 25 -7.643 0.358 6.964 1.00 0.16 C ATOM 654 O ASP A 25 -6.935 1.170 6.377 1.00 0.26 O ATOM 655 CB ASP A 25 -10.077 0.584 6.449 1.00 0.20 C ATOM 656 CG ASP A 25 -10.901 -0.676 6.639 1.00 0.63 C ATOM 657 OD1 ASP A 25 -10.517 -1.724 6.078 1.00 1.27 O ATOM 658 OD2 ASP A 25 -11.925 -0.635 7.347 1.00 0.71 O ATOM 0 H ASP A 25 -9.122 2.856 7.381 1.00 0.15 H new ATOM 0 HA ASP A 25 -9.266 0.106 8.356 1.00 0.16 H new ATOM 0 HB2 ASP A 25 -10.739 1.450 6.462 1.00 0.20 H new ATOM 0 HB3 ASP A 25 -9.604 0.558 5.467 1.00 0.20 H new ATOM 663 N PRO A 26 -7.283 -0.899 7.166 1.00 0.11 N ATOM 664 CA PRO A 26 -6.002 -1.460 6.740 1.00 0.10 C ATOM 665 C PRO A 26 -5.825 -1.441 5.224 1.00 0.08 C ATOM 666 O PRO A 26 -6.696 -1.894 4.480 1.00 0.11 O ATOM 667 CB PRO A 26 -6.039 -2.908 7.257 1.00 0.14 C ATOM 668 CG PRO A 26 -7.472 -3.194 7.561 1.00 0.21 C ATOM 669 CD PRO A 26 -8.126 -1.864 7.851 1.00 0.21 C ATOM 0 HA PRO A 26 -5.166 -0.879 7.130 1.00 0.10 H new ATOM 0 HB2 PRO A 26 -5.652 -3.600 6.509 1.00 0.14 H new ATOM 0 HB3 PRO A 26 -5.420 -3.022 8.147 1.00 0.14 H new ATOM 0 HG2 PRO A 26 -7.956 -3.688 6.718 1.00 0.21 H new ATOM 0 HG3 PRO A 26 -7.560 -3.864 8.416 1.00 0.21 H new ATOM 0 HD2 PRO A 26 -9.150 -1.834 7.479 1.00 0.21 H new ATOM 0 HD3 PRO A 26 -8.170 -1.666 8.922 1.00 0.21 H new ATOM 677 N VAL A 27 -4.682 -0.949 4.772 1.00 0.07 N ATOM 678 CA VAL A 27 -4.407 -0.858 3.335 1.00 0.08 C ATOM 679 C VAL A 27 -2.979 -1.257 3.053 1.00 0.10 C ATOM 680 O VAL A 27 -2.093 -1.077 3.887 1.00 0.11 O ATOM 681 CB VAL A 27 -4.663 0.543 2.693 1.00 0.10 C ATOM 682 CG1 VAL A 27 -6.088 0.685 2.197 1.00 0.12 C ATOM 683 CG2 VAL A 27 -4.356 1.705 3.623 1.00 0.12 C ATOM 0 H VAL A 27 -3.930 -0.607 5.370 1.00 0.07 H new ATOM 0 HA VAL A 27 -5.121 -1.542 2.876 1.00 0.08 H new ATOM 0 HB VAL A 27 -3.970 0.589 1.853 1.00 0.10 H new ATOM 0 HG11 VAL A 27 -6.224 1.673 1.758 1.00 0.12 H new ATOM 0 HG12 VAL A 27 -6.289 -0.077 1.444 1.00 0.12 H new ATOM 0 HG13 VAL A 27 -6.778 0.561 3.032 1.00 0.12 H new ATOM 0 HG21 VAL A 27 -4.557 2.645 3.109 1.00 0.12 H new ATOM 0 HG22 VAL A 27 -4.983 1.635 4.512 1.00 0.12 H new ATOM 0 HG23 VAL A 27 -3.307 1.669 3.916 1.00 0.12 H new ATOM 693 N CYS A 28 -2.767 -1.802 1.865 1.00 0.12 N ATOM 694 CA CYS A 28 -1.455 -2.222 1.442 1.00 0.15 C ATOM 695 C CYS A 28 -0.607 -0.952 1.232 1.00 0.13 C ATOM 696 O CYS A 28 -1.188 0.133 1.112 1.00 0.15 O ATOM 697 CB CYS A 28 -1.626 -3.037 0.148 1.00 0.19 C ATOM 698 SG CYS A 28 -1.864 -2.040 -1.343 1.00 0.22 S ATOM 0 H CYS A 28 -3.501 -1.962 1.175 1.00 0.12 H new ATOM 0 HA CYS A 28 -0.949 -2.850 2.175 1.00 0.15 H new ATOM 0 HB2 CYS A 28 -0.747 -3.667 0.012 1.00 0.19 H new ATOM 0 HB3 CYS A 28 -2.481 -3.703 0.264 1.00 0.19 H new ATOM 703 N ASN A 29 0.735 -1.053 1.185 1.00 0.13 N ATOM 704 CA ASN A 29 1.566 0.147 1.203 1.00 0.17 C ATOM 705 C ASN A 29 1.164 1.127 0.109 1.00 0.15 C ATOM 706 O ASN A 29 0.971 2.297 0.401 1.00 0.16 O ATOM 707 CB ASN A 29 3.081 -0.177 1.161 1.00 0.27 C ATOM 708 CG ASN A 29 3.947 1.052 1.405 1.00 0.70 C ATOM 709 OD1 ASN A 29 3.589 2.171 0.812 1.00 1.52 O flip ATOM 710 ND2 ASN A 29 4.944 0.988 2.101 1.00 0.40 N flip ATOM 0 H ASN A 29 1.249 -1.933 1.136 1.00 0.13 H new ATOM 0 HA ASN A 29 1.384 0.636 2.160 1.00 0.17 H new ATOM 0 HB2 ASN A 29 3.309 -0.933 1.913 1.00 0.27 H new ATOM 0 HB3 ASN A 29 3.331 -0.607 0.191 1.00 0.27 H new ATOM 0 HD21 ASN A 29 5.198 0.107 2.549 1.00 0.40 H new ATOM 0 HD22 ASN A 29 5.525 1.815 2.236 1.00 0.40 H new ATOM 717 N ALA A 30 1.032 0.672 -1.124 1.00 0.17 N ATOM 718 CA ALA A 30 0.634 1.562 -2.221 1.00 0.18 C ATOM 719 C ALA A 30 -0.571 2.416 -1.860 1.00 0.20 C ATOM 720 O ALA A 30 -0.573 3.605 -2.109 1.00 0.19 O ATOM 721 CB ALA A 30 0.323 0.797 -3.480 1.00 0.21 C ATOM 0 H ALA A 30 1.191 -0.298 -1.398 1.00 0.17 H new ATOM 0 HA ALA A 30 1.491 2.213 -2.396 1.00 0.18 H new ATOM 0 HB1 ALA A 30 0.033 1.493 -4.267 1.00 0.21 H new ATOM 0 HB2 ALA A 30 1.206 0.241 -3.795 1.00 0.21 H new ATOM 0 HB3 ALA A 30 -0.495 0.102 -3.291 1.00 0.21 H new ATOM 727 N CYS A 31 -1.575 1.808 -1.255 1.00 0.26 N ATOM 728 CA CYS A 31 -2.806 2.517 -0.914 1.00 0.30 C ATOM 729 C CYS A 31 -2.609 3.515 0.214 1.00 0.32 C ATOM 730 O CYS A 31 -3.053 4.657 0.110 1.00 0.41 O ATOM 731 CB CYS A 31 -3.904 1.533 -0.588 1.00 0.34 C ATOM 732 SG CYS A 31 -4.433 0.584 -2.014 1.00 0.39 S ATOM 0 H CYS A 31 -1.567 0.824 -0.987 1.00 0.26 H new ATOM 0 HA CYS A 31 -3.102 3.096 -1.789 1.00 0.30 H new ATOM 0 HB2 CYS A 31 -3.556 0.851 0.188 1.00 0.34 H new ATOM 0 HB3 CYS A 31 -4.759 2.072 -0.179 1.00 0.34 H new ATOM 737 N GLY A 32 -1.937 3.109 1.278 1.00 0.28 N ATOM 738 CA GLY A 32 -1.686 4.045 2.360 1.00 0.29 C ATOM 739 C GLY A 32 -0.635 5.066 1.981 1.00 0.30 C ATOM 740 O GLY A 32 -0.591 6.152 2.530 1.00 0.46 O ATOM 0 H GLY A 32 -1.566 2.169 1.415 1.00 0.28 H new ATOM 0 HA2 GLY A 32 -2.612 4.556 2.622 1.00 0.29 H new ATOM 0 HA3 GLY A 32 -1.361 3.499 3.246 1.00 0.29 H new ATOM 744 N LEU A 33 0.226 4.716 1.051 1.00 0.19 N ATOM 745 CA LEU A 33 1.183 5.671 0.524 1.00 0.16 C ATOM 746 C LEU A 33 0.438 6.627 -0.374 1.00 0.14 C ATOM 747 O LEU A 33 0.575 7.837 -0.254 1.00 0.15 O ATOM 748 CB LEU A 33 2.299 4.966 -0.256 1.00 0.16 C ATOM 749 CG LEU A 33 3.481 5.817 -0.688 1.00 0.19 C ATOM 750 CD1 LEU A 33 4.775 5.030 -0.576 1.00 0.48 C ATOM 751 CD2 LEU A 33 3.290 6.253 -2.121 1.00 0.54 C ATOM 0 H LEU A 33 0.285 3.783 0.644 1.00 0.19 H new ATOM 0 HA LEU A 33 1.655 6.208 1.346 1.00 0.16 H new ATOM 0 HB2 LEU A 33 2.677 4.148 0.357 1.00 0.16 H new ATOM 0 HB3 LEU A 33 1.859 4.519 -1.148 1.00 0.16 H new ATOM 0 HG LEU A 33 3.539 6.688 -0.036 1.00 0.19 H new ATOM 0 HD11 LEU A 33 5.610 5.656 -0.890 1.00 0.48 H new ATOM 0 HD12 LEU A 33 4.923 4.719 0.458 1.00 0.48 H new ATOM 0 HD13 LEU A 33 4.722 4.149 -1.216 1.00 0.48 H new ATOM 0 HD21 LEU A 33 4.138 6.864 -2.432 1.00 0.54 H new ATOM 0 HD22 LEU A 33 3.221 5.374 -2.763 1.00 0.54 H new ATOM 0 HD23 LEU A 33 2.373 6.836 -2.205 1.00 0.54 H new ATOM 763 N TYR A 34 -0.407 6.070 -1.234 1.00 0.14 N ATOM 764 CA TYR A 34 -1.061 6.851 -2.237 1.00 0.16 C ATOM 765 C TYR A 34 -2.048 7.816 -1.622 1.00 0.13 C ATOM 766 O TYR A 34 -2.017 9.016 -1.901 1.00 0.15 O ATOM 767 CB TYR A 34 -1.782 5.937 -3.227 1.00 0.24 C ATOM 768 CG TYR A 34 -2.361 6.624 -4.424 1.00 0.25 C ATOM 769 CD1 TYR A 34 -3.655 7.113 -4.412 1.00 0.26 C ATOM 770 CD2 TYR A 34 -1.620 6.740 -5.580 1.00 0.30 C ATOM 771 CE1 TYR A 34 -4.198 7.709 -5.534 1.00 0.32 C ATOM 772 CE2 TYR A 34 -2.143 7.337 -6.704 1.00 0.35 C ATOM 773 CZ TYR A 34 -3.436 7.819 -6.680 1.00 0.36 C ATOM 774 OH TYR A 34 -3.967 8.407 -7.807 1.00 0.44 O ATOM 0 H TYR A 34 -0.645 5.078 -1.244 1.00 0.14 H new ATOM 0 HA TYR A 34 -0.300 7.428 -2.762 1.00 0.16 H new ATOM 0 HB2 TYR A 34 -1.082 5.175 -3.569 1.00 0.24 H new ATOM 0 HB3 TYR A 34 -2.585 5.420 -2.701 1.00 0.24 H new ATOM 0 HD1 TYR A 34 -4.249 7.028 -3.514 1.00 0.26 H new ATOM 0 HD2 TYR A 34 -0.611 6.356 -5.604 1.00 0.30 H new ATOM 0 HE1 TYR A 34 -5.210 8.086 -5.515 1.00 0.32 H new ATOM 0 HE2 TYR A 34 -1.546 7.428 -7.599 1.00 0.35 H new ATOM 0 HH TYR A 34 -3.298 8.405 -8.523 1.00 0.44 H new ATOM 784 N TYR A 35 -2.933 7.282 -0.796 1.00 0.14 N ATOM 785 CA TYR A 35 -3.935 8.101 -0.132 1.00 0.17 C ATOM 786 C TYR A 35 -3.299 9.216 0.684 1.00 0.16 C ATOM 787 O TYR A 35 -3.905 10.268 0.882 1.00 0.20 O ATOM 788 CB TYR A 35 -4.830 7.249 0.772 1.00 0.24 C ATOM 789 CG TYR A 35 -5.882 8.055 1.473 1.00 0.30 C ATOM 790 CD1 TYR A 35 -6.997 8.472 0.795 1.00 0.35 C ATOM 791 CD2 TYR A 35 -5.730 8.438 2.789 1.00 0.50 C ATOM 792 CE1 TYR A 35 -7.950 9.249 1.389 1.00 0.42 C ATOM 793 CE2 TYR A 35 -6.678 9.212 3.410 1.00 0.57 C ATOM 794 CZ TYR A 35 -7.793 9.622 2.707 1.00 0.45 C ATOM 795 OH TYR A 35 -8.743 10.407 3.316 1.00 0.57 O ATOM 0 H TYR A 35 -2.978 6.288 -0.570 1.00 0.14 H new ATOM 0 HA TYR A 35 -4.545 8.552 -0.915 1.00 0.17 H new ATOM 0 HB2 TYR A 35 -5.310 6.474 0.174 1.00 0.24 H new ATOM 0 HB3 TYR A 35 -4.213 6.742 1.514 1.00 0.24 H new ATOM 0 HD1 TYR A 35 -7.126 8.179 -0.236 1.00 0.35 H new ATOM 0 HD2 TYR A 35 -4.854 8.125 3.338 1.00 0.50 H new ATOM 0 HE1 TYR A 35 -8.818 9.568 0.832 1.00 0.42 H new ATOM 0 HE2 TYR A 35 -6.552 9.499 4.444 1.00 0.57 H new ATOM 0 HH TYR A 35 -8.480 10.577 4.245 1.00 0.57 H new ATOM 805 N LYS A 36 -2.076 9.014 1.134 1.00 0.15 N ATOM 806 CA LYS A 36 -1.444 10.003 1.981 1.00 0.21 C ATOM 807 C LYS A 36 -0.944 11.159 1.164 1.00 0.22 C ATOM 808 O LYS A 36 -0.951 12.308 1.602 1.00 0.32 O ATOM 809 CB LYS A 36 -0.302 9.393 2.755 1.00 0.28 C ATOM 810 CG LYS A 36 -0.740 8.873 4.115 1.00 0.38 C ATOM 811 CD LYS A 36 -1.992 8.001 4.052 1.00 0.50 C ATOM 812 CE LYS A 36 -2.491 7.617 5.437 1.00 0.84 C ATOM 813 NZ LYS A 36 -3.088 8.770 6.160 1.00 1.23 N ATOM 0 H LYS A 36 -1.510 8.190 0.932 1.00 0.15 H new ATOM 0 HA LYS A 36 -2.192 10.366 2.686 1.00 0.21 H new ATOM 0 HB2 LYS A 36 0.130 8.575 2.178 1.00 0.28 H new ATOM 0 HB3 LYS A 36 0.482 10.138 2.889 1.00 0.28 H new ATOM 0 HG2 LYS A 36 0.074 8.297 4.556 1.00 0.38 H new ATOM 0 HG3 LYS A 36 -0.927 9.719 4.777 1.00 0.38 H new ATOM 0 HD2 LYS A 36 -2.779 8.535 3.519 1.00 0.50 H new ATOM 0 HD3 LYS A 36 -1.776 7.098 3.481 1.00 0.50 H new ATOM 0 HE2 LYS A 36 -3.233 6.824 5.347 1.00 0.84 H new ATOM 0 HE3 LYS A 36 -1.663 7.214 6.020 1.00 0.84 H new ATOM 0 HZ1 LYS A 36 -3.534 8.436 7.038 1.00 1.23 H new ATOM 0 HZ2 LYS A 36 -2.343 9.459 6.390 1.00 1.23 H new ATOM 0 HZ3 LYS A 36 -3.805 9.224 5.558 1.00 1.23 H new ATOM 827 N LEU A 37 -0.513 10.838 -0.030 1.00 0.20 N ATOM 828 CA LEU A 37 0.026 11.834 -0.924 1.00 0.24 C ATOM 829 C LEU A 37 -1.098 12.556 -1.653 1.00 0.25 C ATOM 830 O LEU A 37 -1.018 13.752 -1.927 1.00 0.31 O ATOM 831 CB LEU A 37 0.936 11.184 -1.965 1.00 0.29 C ATOM 832 CG LEU A 37 1.840 10.064 -1.461 1.00 0.49 C ATOM 833 CD1 LEU A 37 2.615 9.455 -2.610 1.00 1.19 C ATOM 834 CD2 LEU A 37 2.809 10.549 -0.406 1.00 0.67 C ATOM 0 H LEU A 37 -0.525 9.890 -0.407 1.00 0.20 H new ATOM 0 HA LEU A 37 0.597 12.544 -0.326 1.00 0.24 H new ATOM 0 HB2 LEU A 37 0.312 10.787 -2.766 1.00 0.29 H new ATOM 0 HB3 LEU A 37 1.563 11.960 -2.404 1.00 0.29 H new ATOM 0 HG LEU A 37 1.194 9.311 -1.009 1.00 0.49 H new ATOM 0 HD11 LEU A 37 3.256 8.657 -2.234 1.00 1.19 H new ATOM 0 HD12 LEU A 37 1.919 9.047 -3.343 1.00 1.19 H new ATOM 0 HD13 LEU A 37 3.229 10.222 -3.082 1.00 1.19 H new ATOM 0 HD21 LEU A 37 3.433 9.719 -0.076 1.00 0.67 H new ATOM 0 HD22 LEU A 37 3.440 11.333 -0.825 1.00 0.67 H new ATOM 0 HD23 LEU A 37 2.253 10.946 0.444 1.00 0.67 H new ATOM 846 N HIS A 38 -2.150 11.809 -1.966 1.00 0.23 N ATOM 847 CA HIS A 38 -3.145 12.263 -2.930 1.00 0.28 C ATOM 848 C HIS A 38 -4.555 12.388 -2.358 1.00 0.30 C ATOM 849 O HIS A 38 -5.472 12.789 -3.075 1.00 0.37 O ATOM 850 CB HIS A 38 -3.151 11.302 -4.114 1.00 0.29 C ATOM 851 CG HIS A 38 -1.846 11.273 -4.850 1.00 0.35 C ATOM 852 ND1 HIS A 38 -1.192 12.407 -5.279 1.00 1.00 N ATOM 853 CD2 HIS A 38 -1.042 10.236 -5.178 1.00 1.02 C ATOM 854 CE1 HIS A 38 -0.044 12.066 -5.834 1.00 0.77 C ATOM 855 NE2 HIS A 38 0.072 10.755 -5.787 1.00 0.69 N ATOM 0 H HIS A 38 -2.336 10.889 -1.568 1.00 0.23 H new ATOM 0 HA HIS A 38 -2.858 13.270 -3.234 1.00 0.28 H new ATOM 0 HB2 HIS A 38 -3.384 10.298 -3.759 1.00 0.29 H new ATOM 0 HB3 HIS A 38 -3.945 11.589 -4.804 1.00 0.29 H new ATOM 0 HD2 HIS A 38 -1.241 9.191 -4.994 1.00 1.02 H new ATOM 0 HE1 HIS A 38 0.679 12.748 -6.256 1.00 0.77 H new ATOM 0 HE2 HIS A 38 0.860 10.215 -6.144 1.00 0.69 H new ATOM 864 N ASN A 39 -4.731 12.040 -1.084 1.00 0.26 N ATOM 865 CA ASN A 39 -6.038 12.157 -0.405 1.00 0.30 C ATOM 866 C ASN A 39 -7.079 11.238 -1.009 1.00 0.32 C ATOM 867 O ASN A 39 -8.278 11.418 -0.787 1.00 0.40 O ATOM 868 CB ASN A 39 -6.584 13.560 -0.502 1.00 0.39 C ATOM 869 CG ASN A 39 -5.645 14.619 0.091 1.00 1.01 C ATOM 870 OD1 ASN A 39 -4.683 14.275 0.782 1.00 1.57 O ATOM 871 ND2 ASN A 39 -5.921 15.914 -0.111 1.00 1.87 N ATOM 0 H ASN A 39 -3.986 11.672 -0.492 1.00 0.26 H new ATOM 0 HA ASN A 39 -5.853 11.882 0.633 1.00 0.30 H new ATOM 0 HB2 ASN A 39 -6.773 13.797 -1.549 1.00 0.39 H new ATOM 0 HB3 ASN A 39 -7.543 13.606 0.013 1.00 0.39 H new ATOM 0 HD21 ASN A 39 -5.332 16.633 0.309 1.00 1.87 H new ATOM 0 HD22 ASN A 39 -6.720 16.182 -0.685 1.00 1.87 H new ATOM 878 N VAL A 40 -6.636 10.260 -1.762 1.00 0.30 N ATOM 879 CA VAL A 40 -7.561 9.326 -2.388 1.00 0.38 C ATOM 880 C VAL A 40 -6.957 7.945 -2.418 1.00 0.37 C ATOM 881 O VAL A 40 -5.740 7.802 -2.355 1.00 0.30 O ATOM 882 CB VAL A 40 -7.989 9.714 -3.823 1.00 0.45 C ATOM 883 CG1 VAL A 40 -9.179 10.644 -3.797 1.00 0.59 C ATOM 884 CG2 VAL A 40 -6.864 10.359 -4.599 1.00 0.42 C ATOM 0 H VAL A 40 -5.651 10.085 -1.959 1.00 0.30 H new ATOM 0 HA VAL A 40 -8.461 9.354 -1.774 1.00 0.38 H new ATOM 0 HB VAL A 40 -8.262 8.787 -4.328 1.00 0.45 H new ATOM 0 HG11 VAL A 40 -9.461 10.903 -4.818 1.00 0.59 H new ATOM 0 HG12 VAL A 40 -10.016 10.150 -3.303 1.00 0.59 H new ATOM 0 HG13 VAL A 40 -8.920 11.551 -3.251 1.00 0.59 H new ATOM 0 HG21 VAL A 40 -7.212 10.614 -5.600 1.00 0.42 H new ATOM 0 HG22 VAL A 40 -6.540 11.265 -4.086 1.00 0.42 H new ATOM 0 HG23 VAL A 40 -6.027 9.664 -4.672 1.00 0.42 H new ATOM 894 N ASN A 41 -7.800 6.934 -2.519 1.00 0.50 N ATOM 895 CA ASN A 41 -7.321 5.565 -2.502 1.00 0.55 C ATOM 896 C ASN A 41 -6.601 5.258 -3.796 1.00 0.44 C ATOM 897 O ASN A 41 -6.756 5.976 -4.783 1.00 0.43 O ATOM 898 CB ASN A 41 -8.456 4.567 -2.281 1.00 0.78 C ATOM 899 CG ASN A 41 -8.800 4.399 -0.816 1.00 1.16 C ATOM 900 OD1 ASN A 41 -8.225 3.561 -0.119 1.00 1.73 O ATOM 901 ND2 ASN A 41 -9.741 5.194 -0.341 1.00 1.16 N ATOM 0 H ASN A 41 -8.811 7.033 -2.613 1.00 0.50 H new ATOM 0 HA ASN A 41 -6.630 5.464 -1.665 1.00 0.55 H new ATOM 0 HB2 ASN A 41 -9.341 4.901 -2.823 1.00 0.78 H new ATOM 0 HB3 ASN A 41 -8.173 3.601 -2.698 1.00 0.78 H new ATOM 0 HD21 ASN A 41 -10.018 5.128 0.639 1.00 1.16 H new ATOM 0 HD22 ASN A 41 -10.191 5.874 -0.954 1.00 1.16 H new ATOM 908 N ARG A 42 -5.822 4.190 -3.793 1.00 0.46 N ATOM 909 CA ARG A 42 -4.986 3.861 -4.931 1.00 0.39 C ATOM 910 C ARG A 42 -5.762 2.969 -5.884 1.00 0.45 C ATOM 911 O ARG A 42 -5.975 1.793 -5.579 1.00 0.51 O ATOM 912 CB ARG A 42 -3.711 3.155 -4.449 1.00 0.48 C ATOM 913 CG ARG A 42 -2.493 3.335 -5.353 1.00 1.13 C ATOM 914 CD ARG A 42 -2.695 2.764 -6.749 1.00 1.57 C ATOM 915 NE ARG A 42 -1.508 2.953 -7.584 1.00 2.08 N ATOM 916 CZ ARG A 42 -1.512 2.937 -8.917 1.00 2.71 C ATOM 917 NH1 ARG A 42 -2.628 2.682 -9.587 1.00 3.32 N ATOM 918 NH2 ARG A 42 -0.383 3.152 -9.583 1.00 3.14 N ATOM 0 H ARG A 42 -5.752 3.536 -3.013 1.00 0.46 H new ATOM 0 HA ARG A 42 -4.700 4.773 -5.455 1.00 0.39 H new ATOM 0 HB2 ARG A 42 -3.464 3.524 -3.454 1.00 0.48 H new ATOM 0 HB3 ARG A 42 -3.918 2.089 -4.352 1.00 0.48 H new ATOM 0 HG2 ARG A 42 -2.260 4.397 -5.432 1.00 1.13 H new ATOM 0 HG3 ARG A 42 -1.631 2.853 -4.891 1.00 1.13 H new ATOM 0 HD2 ARG A 42 -2.926 1.701 -6.678 1.00 1.57 H new ATOM 0 HD3 ARG A 42 -3.552 3.246 -7.219 1.00 1.57 H new ATOM 0 HE ARG A 42 -0.616 3.108 -7.114 1.00 2.08 H new ATOM 0 HH11 ARG A 42 -3.495 2.496 -9.082 1.00 3.32 H new ATOM 0 HH12 ARG A 42 -2.620 2.672 -10.607 1.00 3.32 H new ATOM 0 HH21 ARG A 42 0.483 3.329 -9.074 1.00 3.14 H new ATOM 0 HH22 ARG A 42 -0.382 3.140 -10.603 1.00 3.14 H new ATOM 932 N PRO A 43 -6.222 3.508 -7.032 1.00 0.53 N ATOM 933 CA PRO A 43 -6.915 2.705 -8.038 1.00 0.67 C ATOM 934 C PRO A 43 -6.086 1.490 -8.396 1.00 0.66 C ATOM 935 O PRO A 43 -4.971 1.609 -8.898 1.00 0.68 O ATOM 936 CB PRO A 43 -7.051 3.662 -9.221 1.00 0.80 C ATOM 937 CG PRO A 43 -7.074 5.006 -8.587 1.00 0.73 C ATOM 938 CD PRO A 43 -6.115 4.921 -7.439 1.00 0.55 C ATOM 0 HA PRO A 43 -7.879 2.320 -7.705 1.00 0.67 H new ATOM 0 HB2 PRO A 43 -6.217 3.561 -9.915 1.00 0.80 H new ATOM 0 HB3 PRO A 43 -7.962 3.471 -9.788 1.00 0.80 H new ATOM 0 HG2 PRO A 43 -6.773 5.779 -9.294 1.00 0.73 H new ATOM 0 HG3 PRO A 43 -8.076 5.261 -8.243 1.00 0.73 H new ATOM 0 HD2 PRO A 43 -5.100 5.180 -7.739 1.00 0.55 H new ATOM 0 HD3 PRO A 43 -6.391 5.598 -6.630 1.00 0.55 H new ATOM 946 N LEU A 44 -6.645 0.331 -8.130 1.00 0.72 N ATOM 947 CA LEU A 44 -5.885 -0.909 -8.131 1.00 0.73 C ATOM 948 C LEU A 44 -6.835 -2.091 -8.129 1.00 1.12 C ATOM 949 O LEU A 44 -7.000 -2.772 -9.139 1.00 1.52 O ATOM 950 CB LEU A 44 -5.000 -0.953 -6.877 1.00 0.81 C ATOM 951 CG LEU A 44 -3.541 -1.396 -7.073 1.00 0.88 C ATOM 952 CD1 LEU A 44 -2.890 -0.661 -8.234 1.00 1.80 C ATOM 953 CD2 LEU A 44 -2.748 -1.157 -5.792 1.00 0.84 C ATOM 0 H LEU A 44 -7.634 0.216 -7.907 1.00 0.72 H new ATOM 0 HA LEU A 44 -5.261 -0.957 -9.023 1.00 0.73 H new ATOM 0 HB2 LEU A 44 -4.996 0.041 -6.429 1.00 0.81 H new ATOM 0 HB3 LEU A 44 -5.465 -1.626 -6.156 1.00 0.81 H new ATOM 0 HG LEU A 44 -3.540 -2.461 -7.307 1.00 0.88 H new ATOM 0 HD11 LEU A 44 -1.859 -0.997 -8.345 1.00 1.80 H new ATOM 0 HD12 LEU A 44 -3.441 -0.869 -9.151 1.00 1.80 H new ATOM 0 HD13 LEU A 44 -2.903 0.411 -8.039 1.00 1.80 H new ATOM 0 HD21 LEU A 44 -1.715 -1.473 -5.939 1.00 0.84 H new ATOM 0 HD22 LEU A 44 -2.770 -0.096 -5.543 1.00 0.84 H new ATOM 0 HD23 LEU A 44 -3.191 -1.730 -4.978 1.00 0.84 H new ATOM 965 N THR A 45 -7.478 -2.283 -6.985 1.00 1.43 N ATOM 966 CA THR A 45 -8.433 -3.359 -6.765 1.00 1.89 C ATOM 967 C THR A 45 -7.875 -4.721 -7.167 1.00 2.49 C ATOM 968 O THR A 45 -7.121 -5.346 -6.417 1.00 3.12 O ATOM 969 CB THR A 45 -9.779 -3.082 -7.479 1.00 2.47 C ATOM 970 OG1 THR A 45 -9.692 -1.885 -8.263 1.00 2.85 O ATOM 971 CG2 THR A 45 -10.904 -2.929 -6.467 1.00 3.21 C ATOM 0 H THR A 45 -7.348 -1.684 -6.170 1.00 1.43 H new ATOM 0 HA THR A 45 -8.620 -3.390 -5.692 1.00 1.89 H new ATOM 0 HB THR A 45 -9.992 -3.931 -8.129 1.00 2.47 H new ATOM 0 HG1 THR A 45 -10.549 -1.724 -8.710 1.00 2.85 H new ATOM 0 HG21 THR A 45 -11.840 -2.735 -6.990 1.00 3.21 H new ATOM 0 HG22 THR A 45 -10.997 -3.846 -5.885 1.00 3.21 H new ATOM 0 HG23 THR A 45 -10.682 -2.096 -5.800 1.00 3.21 H new ATOM 979 N MET A 46 -8.216 -5.154 -8.358 1.00 3.01 N ATOM 980 CA MET A 46 -7.788 -6.457 -8.848 1.00 4.06 C ATOM 981 C MET A 46 -6.999 -6.288 -10.137 1.00 4.82 C ATOM 982 O MET A 46 -7.219 -7.010 -11.113 1.00 5.29 O ATOM 983 CB MET A 46 -8.990 -7.383 -9.079 1.00 4.43 C ATOM 984 CG MET A 46 -9.916 -7.504 -7.879 1.00 5.26 C ATOM 985 SD MET A 46 -9.076 -8.122 -6.409 1.00 5.98 S ATOM 986 CE MET A 46 -10.419 -8.107 -5.225 1.00 6.47 C ATOM 0 H MET A 46 -8.791 -4.625 -9.013 1.00 3.01 H new ATOM 0 HA MET A 46 -7.151 -6.917 -8.093 1.00 4.06 H new ATOM 0 HB2 MET A 46 -9.562 -7.014 -9.931 1.00 4.43 H new ATOM 0 HB3 MET A 46 -8.626 -8.375 -9.345 1.00 4.43 H new ATOM 0 HG2 MET A 46 -10.350 -6.528 -7.661 1.00 5.26 H new ATOM 0 HG3 MET A 46 -10.741 -8.171 -8.128 1.00 5.26 H new ATOM 0 HE1 MET A 46 -10.150 -8.715 -4.362 1.00 6.47 H new ATOM 0 HE2 MET A 46 -10.608 -7.083 -4.903 1.00 6.47 H new ATOM 0 HE3 MET A 46 -11.318 -8.513 -5.689 1.00 6.47 H new ATOM 996 N LYS A 47 -6.092 -5.311 -10.121 1.00 5.35 N ATOM 997 CA LYS A 47 -5.243 -4.975 -11.266 1.00 6.39 C ATOM 998 C LYS A 47 -6.047 -4.319 -12.384 1.00 6.45 C ATOM 999 O LYS A 47 -5.884 -3.130 -12.655 1.00 7.14 O ATOM 1000 CB LYS A 47 -4.489 -6.205 -11.793 1.00 7.52 C ATOM 1001 CG LYS A 47 -3.370 -6.674 -10.876 1.00 8.31 C ATOM 1002 CD LYS A 47 -2.672 -7.906 -11.433 1.00 9.24 C ATOM 1003 CE LYS A 47 -1.484 -8.320 -10.575 1.00 10.03 C ATOM 1004 NZ LYS A 47 -0.385 -7.318 -10.619 1.00 10.60 N ATOM 0 H LYS A 47 -5.924 -4.724 -9.304 1.00 5.35 H new ATOM 0 HA LYS A 47 -4.504 -4.255 -10.913 1.00 6.39 H new ATOM 0 HB2 LYS A 47 -5.197 -7.021 -11.935 1.00 7.52 H new ATOM 0 HB3 LYS A 47 -4.071 -5.972 -12.772 1.00 7.52 H new ATOM 0 HG2 LYS A 47 -2.644 -5.871 -10.746 1.00 8.31 H new ATOM 0 HG3 LYS A 47 -3.776 -6.899 -9.890 1.00 8.31 H new ATOM 0 HD2 LYS A 47 -3.382 -8.731 -11.492 1.00 9.24 H new ATOM 0 HD3 LYS A 47 -2.333 -7.704 -12.449 1.00 9.24 H new ATOM 0 HE2 LYS A 47 -1.811 -8.453 -9.544 1.00 10.03 H new ATOM 0 HE3 LYS A 47 -1.109 -9.284 -10.918 1.00 10.03 H new ATOM 0 HZ1 LYS A 47 0.473 -7.725 -10.194 1.00 10.60 H new ATOM 0 HZ2 LYS A 47 -0.192 -7.057 -11.607 1.00 10.60 H new ATOM 0 HZ3 LYS A 47 -0.666 -6.470 -10.086 1.00 10.60 H new ATOM 1018 N LYS A 48 -6.918 -5.082 -13.026 1.00 6.06 N ATOM 1019 CA LYS A 48 -7.702 -4.565 -14.137 1.00 6.40 C ATOM 1020 C LYS A 48 -9.108 -5.172 -14.156 1.00 6.04 C ATOM 1021 O LYS A 48 -9.376 -6.118 -14.895 1.00 6.58 O ATOM 1022 CB LYS A 48 -6.982 -4.858 -15.459 1.00 7.59 C ATOM 1023 CG LYS A 48 -7.706 -4.329 -16.687 1.00 8.29 C ATOM 1024 CD LYS A 48 -7.030 -4.784 -17.968 1.00 9.18 C ATOM 1025 CE LYS A 48 -7.839 -4.392 -19.193 1.00 9.92 C ATOM 1026 NZ LYS A 48 -7.219 -4.883 -20.450 1.00 10.22 N ATOM 0 H LYS A 48 -7.100 -6.059 -12.798 1.00 6.06 H new ATOM 0 HA LYS A 48 -7.805 -3.487 -14.010 1.00 6.40 H new ATOM 0 HB2 LYS A 48 -5.984 -4.421 -15.422 1.00 7.59 H new ATOM 0 HB3 LYS A 48 -6.855 -5.936 -15.561 1.00 7.59 H new ATOM 0 HG2 LYS A 48 -8.740 -4.673 -16.678 1.00 8.29 H new ATOM 0 HG3 LYS A 48 -7.732 -3.240 -16.655 1.00 8.29 H new ATOM 0 HD2 LYS A 48 -6.035 -4.344 -18.032 1.00 9.18 H new ATOM 0 HD3 LYS A 48 -6.900 -5.866 -17.948 1.00 9.18 H new ATOM 0 HE2 LYS A 48 -8.848 -4.795 -19.105 1.00 9.92 H new ATOM 0 HE3 LYS A 48 -7.931 -3.307 -19.234 1.00 9.92 H new ATOM 0 HZ1 LYS A 48 -7.803 -4.594 -21.261 1.00 10.22 H new ATOM 0 HZ2 LYS A 48 -6.266 -4.479 -20.548 1.00 10.22 H new ATOM 0 HZ3 LYS A 48 -7.154 -5.921 -20.423 1.00 10.22 H new ATOM 1040 N GLU A 49 -9.999 -4.645 -13.326 1.00 5.38 N ATOM 1041 CA GLU A 49 -11.399 -5.038 -13.381 1.00 5.42 C ATOM 1042 C GLU A 49 -12.254 -3.858 -13.826 1.00 5.55 C ATOM 1043 O GLU A 49 -12.652 -3.048 -12.963 1.00 5.89 O ATOM 1044 CB GLU A 49 -11.873 -5.565 -12.024 1.00 5.41 C ATOM 1045 CG GLU A 49 -11.319 -6.937 -11.675 1.00 5.86 C ATOM 1046 CD GLU A 49 -11.804 -8.021 -12.615 1.00 6.53 C ATOM 1047 OE1 GLU A 49 -12.975 -8.442 -12.494 1.00 7.00 O ATOM 1048 OE2 GLU A 49 -11.019 -8.464 -13.479 1.00 6.85 O ATOM 1049 OXT GLU A 49 -12.503 -3.727 -15.041 1.00 5.74 O ATOM 0 H GLU A 49 -9.779 -3.950 -12.613 1.00 5.38 H new ATOM 0 HA GLU A 49 -11.504 -5.843 -14.108 1.00 5.42 H new ATOM 0 HB2 GLU A 49 -11.583 -4.857 -11.248 1.00 5.41 H new ATOM 0 HB3 GLU A 49 -12.962 -5.611 -12.022 1.00 5.41 H new ATOM 0 HG2 GLU A 49 -10.230 -6.901 -11.700 1.00 5.86 H new ATOM 0 HG3 GLU A 49 -11.607 -7.191 -10.655 1.00 5.86 H new TER 1056 GLU A 49 HETATM 1057 ZN ZN A 101 -4.103 -1.656 -1.677 1.00 0.29 ZN