USER MOD reduce.3.24.130724 H: found=0, std=0, add=380, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 379 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 NoAdj-H: A 50 HIS HE2 : A 50 HIS NE2 : A 401 ZNZN :(H bumps) USER MOD Set 1.1: A 43 GLN : amide:sc= -3.04 K(o=-4.1,f=-6.8!) USER MOD Set 1.2: A 44 HIS : no HD1:sc= -1.03 K(o=-4.1,f=-2.3) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot -21:sc= 0.557 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 ASN : amide:sc= 0 X(o=0,f=-0.22) USER MOD Single : A 10 GLN : amide:sc= -1.81 K(o=-1.8,f=-9.3!) USER MOD Single : A 11 GLN : amide:sc= -0.0238 K(o=-0.024,f=-1.4) USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot 47:sc= 0.236 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 20 ASN : amide:sc= -0.0477 X(o=-0.048,f=-0.066) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 28 THR OG1 : rot -31:sc= -0.13! USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 33 ASN : amide:sc= -1.26! C(o=-1.3!,f=-1.2!) USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 TYR OH : rot -140:sc= -0.343 USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ -160:sc= -0.0471 (180deg=-0.297) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 HIS : no HE2:sc= -1.67 K(o=-1.7,f=-4) USER MOD Single : A 52 HIS : no HD1:sc= -5.2! C(o=-5.2!,f=-5!) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -19.195 40.884 30.838 1.00 0.00 N ATOM 2 CA GLY A 1 -19.086 39.659 30.067 1.00 0.00 C ATOM 3 C GLY A 1 -17.663 39.372 29.633 1.00 0.00 C ATOM 4 O GLY A 1 -17.225 39.825 28.576 1.00 0.00 O ATOM 0 H1 GLY A 1 -20.187 41.035 31.111 1.00 0.00 H new ATOM 0 H2 GLY A 1 -18.608 40.809 31.693 1.00 0.00 H new ATOM 0 H3 GLY A 1 -18.868 41.686 30.263 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -19.456 38.824 30.662 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -19.724 39.730 29.186 1.00 0.00 H new ATOM 8 N SER A 2 -16.937 38.618 30.452 1.00 0.00 N ATOM 9 CA SER A 2 -15.552 38.275 30.150 1.00 0.00 C ATOM 10 C SER A 2 -15.264 36.818 30.500 1.00 0.00 C ATOM 11 O SER A 2 -15.625 36.344 31.577 1.00 0.00 O ATOM 12 CB SER A 2 -14.598 39.194 30.916 1.00 0.00 C ATOM 13 OG SER A 2 -14.691 40.529 30.449 1.00 0.00 O ATOM 0 H SER A 2 -17.285 38.233 31.330 1.00 0.00 H new ATOM 0 HA SER A 2 -15.395 38.411 29.080 1.00 0.00 H new ATOM 0 HB2 SER A 2 -14.832 39.161 31.980 1.00 0.00 H new ATOM 0 HB3 SER A 2 -13.575 38.836 30.803 1.00 0.00 H new ATOM 0 HG SER A 2 -14.073 41.096 30.955 1.00 0.00 H new ATOM 19 N SER A 3 -14.611 36.113 29.581 1.00 0.00 N ATOM 20 CA SER A 3 -14.277 34.709 29.790 1.00 0.00 C ATOM 21 C SER A 3 -13.416 34.180 28.647 1.00 0.00 C ATOM 22 O SER A 3 -13.704 34.420 27.475 1.00 0.00 O ATOM 23 CB SER A 3 -15.552 33.873 29.913 1.00 0.00 C ATOM 24 OG SER A 3 -16.392 34.054 28.786 1.00 0.00 O ATOM 0 H SER A 3 -14.303 36.491 28.685 1.00 0.00 H new ATOM 0 HA SER A 3 -13.708 34.630 30.717 1.00 0.00 H new ATOM 0 HB2 SER A 3 -15.291 32.819 30.011 1.00 0.00 H new ATOM 0 HB3 SER A 3 -16.089 34.154 30.819 1.00 0.00 H new ATOM 0 HG SER A 3 -17.199 33.508 28.888 1.00 0.00 H new ATOM 30 N GLY A 4 -12.356 33.457 28.998 1.00 0.00 N ATOM 31 CA GLY A 4 -11.469 32.905 27.991 1.00 0.00 C ATOM 32 C GLY A 4 -11.576 31.397 27.889 1.00 0.00 C ATOM 33 O GLY A 4 -12.537 30.801 28.376 1.00 0.00 O ATOM 0 H GLY A 4 -12.096 33.244 29.961 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -11.702 33.349 27.023 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -10.441 33.178 28.228 1.00 0.00 H new ATOM 37 N SER A 5 -10.588 30.777 27.251 1.00 0.00 N ATOM 38 CA SER A 5 -10.578 29.328 27.081 1.00 0.00 C ATOM 39 C SER A 5 -9.171 28.827 26.772 1.00 0.00 C ATOM 40 O SER A 5 -8.270 29.614 26.481 1.00 0.00 O ATOM 41 CB SER A 5 -11.535 28.919 25.960 1.00 0.00 C ATOM 42 OG SER A 5 -12.841 29.415 26.198 1.00 0.00 O ATOM 0 H SER A 5 -9.784 31.255 26.843 1.00 0.00 H new ATOM 0 HA SER A 5 -10.909 28.875 28.015 1.00 0.00 H new ATOM 0 HB2 SER A 5 -11.167 29.298 25.007 1.00 0.00 H new ATOM 0 HB3 SER A 5 -11.564 27.832 25.881 1.00 0.00 H new ATOM 0 HG SER A 5 -12.945 29.618 27.151 1.00 0.00 H new ATOM 48 N SER A 6 -8.990 27.512 26.837 1.00 0.00 N ATOM 49 CA SER A 6 -7.691 26.905 26.568 1.00 0.00 C ATOM 50 C SER A 6 -7.422 26.840 25.068 1.00 0.00 C ATOM 51 O SER A 6 -8.282 27.180 24.256 1.00 0.00 O ATOM 52 CB SER A 6 -7.628 25.500 27.170 1.00 0.00 C ATOM 53 OG SER A 6 -8.328 24.568 26.364 1.00 0.00 O ATOM 0 H SER A 6 -9.726 26.846 27.073 1.00 0.00 H new ATOM 0 HA SER A 6 -6.924 27.526 27.030 1.00 0.00 H new ATOM 0 HB2 SER A 6 -6.588 25.190 27.270 1.00 0.00 H new ATOM 0 HB3 SER A 6 -8.055 25.511 28.173 1.00 0.00 H new ATOM 0 HG SER A 6 -8.271 23.678 26.769 1.00 0.00 H new ATOM 59 N GLY A 7 -6.220 26.401 24.707 1.00 0.00 N ATOM 60 CA GLY A 7 -5.858 26.300 23.305 1.00 0.00 C ATOM 61 C GLY A 7 -6.119 24.919 22.737 1.00 0.00 C ATOM 62 O GLY A 7 -6.029 23.920 23.451 1.00 0.00 O ATOM 0 H GLY A 7 -5.491 26.114 25.360 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -6.422 27.037 22.733 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -4.802 26.545 23.187 1.00 0.00 H new ATOM 66 N ILE A 8 -6.445 24.862 21.450 1.00 0.00 N ATOM 67 CA ILE A 8 -6.720 23.593 20.788 1.00 0.00 C ATOM 68 C ILE A 8 -5.902 23.452 19.509 1.00 0.00 C ATOM 69 O ILE A 8 -5.648 24.433 18.811 1.00 0.00 O ATOM 70 CB ILE A 8 -8.215 23.450 20.446 1.00 0.00 C ATOM 71 CG1 ILE A 8 -9.065 23.587 21.711 1.00 0.00 C ATOM 72 CG2 ILE A 8 -8.477 22.113 19.768 1.00 0.00 C ATOM 73 CD1 ILE A 8 -9.329 25.023 22.108 1.00 0.00 C ATOM 0 H ILE A 8 -6.525 25.680 20.845 1.00 0.00 H new ATOM 0 HA ILE A 8 -6.438 22.805 21.486 1.00 0.00 H new ATOM 0 HB ILE A 8 -8.493 24.247 19.756 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -10.017 23.080 21.556 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -8.563 23.077 22.533 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -9.538 22.026 19.532 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -7.895 22.051 18.849 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -8.187 21.303 20.437 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -9.937 25.045 23.012 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -8.382 25.529 22.295 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -9.859 25.532 21.303 1.00 0.00 H new ATOM 85 N ASN A 9 -5.494 22.224 19.206 1.00 0.00 N ATOM 86 CA ASN A 9 -4.705 21.953 18.010 1.00 0.00 C ATOM 87 C ASN A 9 -4.570 20.452 17.776 1.00 0.00 C ATOM 88 O ASN A 9 -3.856 19.762 18.504 1.00 0.00 O ATOM 89 CB ASN A 9 -3.319 22.588 18.133 1.00 0.00 C ATOM 90 CG ASN A 9 -2.447 22.313 16.923 1.00 0.00 C ATOM 91 OD1 ASN A 9 -1.779 21.282 16.847 1.00 0.00 O ATOM 92 ND2 ASN A 9 -2.451 23.237 15.969 1.00 0.00 N ATOM 0 H ASN A 9 -5.697 21.400 19.773 1.00 0.00 H new ATOM 0 HA ASN A 9 -5.223 22.391 17.157 1.00 0.00 H new ATOM 0 HB2 ASN A 9 -3.426 23.665 18.263 1.00 0.00 H new ATOM 0 HB3 ASN A 9 -2.826 22.207 19.027 1.00 0.00 H new ATOM 0 HD21 ASN A 9 -1.885 23.107 15.131 1.00 0.00 H new ATOM 0 HD22 ASN A 9 -3.020 24.077 16.075 1.00 0.00 H new ATOM 99 N GLN A 10 -5.260 19.953 16.755 1.00 0.00 N ATOM 100 CA GLN A 10 -5.217 18.533 16.425 1.00 0.00 C ATOM 101 C GLN A 10 -4.542 18.308 15.076 1.00 0.00 C ATOM 102 O GLN A 10 -4.596 19.165 14.194 1.00 0.00 O ATOM 103 CB GLN A 10 -6.630 17.949 16.405 1.00 0.00 C ATOM 104 CG GLN A 10 -7.161 17.594 17.784 1.00 0.00 C ATOM 105 CD GLN A 10 -7.284 18.802 18.692 1.00 0.00 C ATOM 106 OE1 GLN A 10 -8.024 19.741 18.397 1.00 0.00 O ATOM 107 NE2 GLN A 10 -6.558 18.784 19.803 1.00 0.00 N ATOM 0 H GLN A 10 -5.855 20.511 16.142 1.00 0.00 H new ATOM 0 HA GLN A 10 -4.633 18.025 17.192 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -7.304 18.667 15.939 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -6.636 17.055 15.781 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -8.137 17.120 17.682 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -6.499 16.863 18.247 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -5.958 17.985 20.007 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -6.600 19.569 20.452 1.00 0.00 H new ATOM 116 N GLN A 11 -3.907 17.151 14.923 1.00 0.00 N ATOM 117 CA GLN A 11 -3.220 16.815 13.681 1.00 0.00 C ATOM 118 C GLN A 11 -4.090 15.920 12.804 1.00 0.00 C ATOM 119 O GLN A 11 -4.669 14.944 13.278 1.00 0.00 O ATOM 120 CB GLN A 11 -1.891 16.119 13.981 1.00 0.00 C ATOM 121 CG GLN A 11 -0.789 17.072 14.413 1.00 0.00 C ATOM 122 CD GLN A 11 0.367 16.360 15.086 1.00 0.00 C ATOM 123 OE1 GLN A 11 0.362 15.137 15.226 1.00 0.00 O ATOM 124 NE2 GLN A 11 1.368 17.124 15.509 1.00 0.00 N ATOM 0 H GLN A 11 -3.854 16.430 15.643 1.00 0.00 H new ATOM 0 HA GLN A 11 -3.023 17.741 13.141 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -2.047 15.378 14.765 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -1.565 15.579 13.092 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -0.420 17.613 13.542 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -1.202 17.813 15.097 1.00 0.00 H new ATOM 0 HE21 GLN A 11 1.331 18.134 15.373 1.00 0.00 H new ATOM 0 HE22 GLN A 11 2.173 16.700 15.970 1.00 0.00 H new ATOM 133 N GLU A 12 -4.176 16.262 11.522 1.00 0.00 N ATOM 134 CA GLU A 12 -4.977 15.490 10.579 1.00 0.00 C ATOM 135 C GLU A 12 -4.684 15.913 9.142 1.00 0.00 C ATOM 136 O GLU A 12 -5.066 17.002 8.715 1.00 0.00 O ATOM 137 CB GLU A 12 -6.467 15.663 10.879 1.00 0.00 C ATOM 138 CG GLU A 12 -7.363 14.739 10.070 1.00 0.00 C ATOM 139 CD GLU A 12 -8.820 15.154 10.114 1.00 0.00 C ATOM 140 OE1 GLU A 12 -9.538 14.700 11.030 1.00 0.00 O ATOM 141 OE2 GLU A 12 -9.243 15.932 9.234 1.00 0.00 O ATOM 0 H GLU A 12 -3.702 17.067 11.113 1.00 0.00 H new ATOM 0 HA GLU A 12 -4.711 14.439 10.692 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -6.638 15.484 11.940 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -6.751 16.696 10.680 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -7.024 14.726 9.034 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -7.267 13.722 10.450 1.00 0.00 H new ATOM 148 N ASP A 13 -4.004 15.044 8.403 1.00 0.00 N ATOM 149 CA ASP A 13 -3.659 15.326 7.014 1.00 0.00 C ATOM 150 C ASP A 13 -2.994 14.117 6.363 1.00 0.00 C ATOM 151 O ASP A 13 -2.065 13.533 6.920 1.00 0.00 O ATOM 152 CB ASP A 13 -2.732 16.539 6.933 1.00 0.00 C ATOM 153 CG ASP A 13 -2.002 16.622 5.607 1.00 0.00 C ATOM 154 OD1 ASP A 13 -2.604 16.259 4.575 1.00 0.00 O ATOM 155 OD2 ASP A 13 -0.828 17.050 5.601 1.00 0.00 O ATOM 0 H ASP A 13 -3.680 14.138 8.742 1.00 0.00 H new ATOM 0 HA ASP A 13 -4.580 15.546 6.474 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -3.314 17.448 7.081 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -2.004 16.491 7.743 1.00 0.00 H new ATOM 160 N SER A 14 -3.477 13.748 5.181 1.00 0.00 N ATOM 161 CA SER A 14 -2.933 12.606 4.456 1.00 0.00 C ATOM 162 C SER A 14 -1.416 12.541 4.604 1.00 0.00 C ATOM 163 O SER A 14 -0.686 13.303 3.971 1.00 0.00 O ATOM 164 CB SER A 14 -3.309 12.688 2.976 1.00 0.00 C ATOM 165 OG SER A 14 -2.636 11.695 2.222 1.00 0.00 O ATOM 0 H SER A 14 -4.244 14.223 4.705 1.00 0.00 H new ATOM 0 HA SER A 14 -3.362 11.699 4.883 1.00 0.00 H new ATOM 0 HB2 SER A 14 -4.386 12.566 2.864 1.00 0.00 H new ATOM 0 HB3 SER A 14 -3.058 13.675 2.588 1.00 0.00 H new ATOM 0 HG SER A 14 -2.895 11.768 1.280 1.00 0.00 H new ATOM 171 N SER A 15 -0.949 11.624 5.446 1.00 0.00 N ATOM 172 CA SER A 15 0.481 11.461 5.681 1.00 0.00 C ATOM 173 C SER A 15 1.048 10.335 4.822 1.00 0.00 C ATOM 174 O SER A 15 0.314 9.460 4.364 1.00 0.00 O ATOM 175 CB SER A 15 0.746 11.173 7.160 1.00 0.00 C ATOM 176 OG SER A 15 0.619 12.349 7.940 1.00 0.00 O ATOM 0 H SER A 15 -1.540 10.983 5.976 1.00 0.00 H new ATOM 0 HA SER A 15 0.978 12.391 5.404 1.00 0.00 H new ATOM 0 HB2 SER A 15 0.046 10.418 7.518 1.00 0.00 H new ATOM 0 HB3 SER A 15 1.748 10.760 7.279 1.00 0.00 H new ATOM 0 HG SER A 15 -0.209 12.815 7.697 1.00 0.00 H new ATOM 182 N GLU A 16 2.360 10.365 4.608 1.00 0.00 N ATOM 183 CA GLU A 16 3.026 9.348 3.803 1.00 0.00 C ATOM 184 C GLU A 16 4.102 8.632 4.614 1.00 0.00 C ATOM 185 O GLU A 16 5.232 8.466 4.155 1.00 0.00 O ATOM 186 CB GLU A 16 3.646 9.979 2.555 1.00 0.00 C ATOM 187 CG GLU A 16 2.621 10.501 1.563 1.00 0.00 C ATOM 188 CD GLU A 16 3.198 10.691 0.174 1.00 0.00 C ATOM 189 OE1 GLU A 16 3.878 11.714 -0.052 1.00 0.00 O ATOM 190 OE2 GLU A 16 2.969 9.816 -0.688 1.00 0.00 O ATOM 0 H GLU A 16 2.982 11.082 4.981 1.00 0.00 H new ATOM 0 HA GLU A 16 2.279 8.616 3.497 1.00 0.00 H new ATOM 0 HB2 GLU A 16 4.296 10.800 2.858 1.00 0.00 H new ATOM 0 HB3 GLU A 16 4.275 9.240 2.059 1.00 0.00 H new ATOM 0 HG2 GLU A 16 1.783 9.806 1.512 1.00 0.00 H new ATOM 0 HG3 GLU A 16 2.225 11.451 1.921 1.00 0.00 H new ATOM 197 N SER A 17 3.743 8.210 5.822 1.00 0.00 N ATOM 198 CA SER A 17 4.679 7.516 6.699 1.00 0.00 C ATOM 199 C SER A 17 4.393 6.017 6.720 1.00 0.00 C ATOM 200 O SER A 17 3.249 5.589 6.566 1.00 0.00 O ATOM 201 CB SER A 17 4.597 8.082 8.118 1.00 0.00 C ATOM 202 OG SER A 17 5.184 9.370 8.187 1.00 0.00 O ATOM 0 H SER A 17 2.811 8.336 6.216 1.00 0.00 H new ATOM 0 HA SER A 17 5.686 7.672 6.311 1.00 0.00 H new ATOM 0 HB2 SER A 17 3.555 8.137 8.432 1.00 0.00 H new ATOM 0 HB3 SER A 17 5.104 7.410 8.811 1.00 0.00 H new ATOM 0 HG SER A 17 5.118 9.711 9.103 1.00 0.00 H new ATOM 208 N CYS A 18 5.442 5.224 6.912 1.00 0.00 N ATOM 209 CA CYS A 18 5.307 3.773 6.954 1.00 0.00 C ATOM 210 C CYS A 18 4.345 3.348 8.060 1.00 0.00 C ATOM 211 O CYS A 18 4.553 3.663 9.231 1.00 0.00 O ATOM 212 CB CYS A 18 6.672 3.119 7.170 1.00 0.00 C ATOM 213 SG CYS A 18 6.610 1.306 7.340 1.00 0.00 S ATOM 0 H CYS A 18 6.396 5.562 7.041 1.00 0.00 H new ATOM 0 HA CYS A 18 4.901 3.443 5.998 1.00 0.00 H new ATOM 0 HB2 CYS A 18 7.321 3.373 6.332 1.00 0.00 H new ATOM 0 HB3 CYS A 18 7.128 3.542 8.065 1.00 0.00 H new ATOM 218 N TRP A 19 3.294 2.631 7.679 1.00 0.00 N ATOM 219 CA TRP A 19 2.301 2.162 8.638 1.00 0.00 C ATOM 220 C TRP A 19 2.947 1.288 9.707 1.00 0.00 C ATOM 221 O TRP A 19 2.625 1.397 10.889 1.00 0.00 O ATOM 222 CB TRP A 19 1.198 1.381 7.921 1.00 0.00 C ATOM 223 CG TRP A 19 0.263 2.255 7.141 1.00 0.00 C ATOM 224 CD1 TRP A 19 0.547 3.469 6.585 1.00 0.00 C ATOM 225 CD2 TRP A 19 -1.109 1.982 6.834 1.00 0.00 C ATOM 226 NE1 TRP A 19 -0.565 3.968 5.950 1.00 0.00 N ATOM 227 CE2 TRP A 19 -1.594 3.074 6.087 1.00 0.00 C ATOM 228 CE3 TRP A 19 -1.973 0.920 7.114 1.00 0.00 C ATOM 229 CZ2 TRP A 19 -2.904 3.133 5.621 1.00 0.00 C ATOM 230 CZ3 TRP A 19 -3.274 0.981 6.650 1.00 0.00 C ATOM 231 CH2 TRP A 19 -3.729 2.080 5.910 1.00 0.00 C ATOM 0 H TRP A 19 3.108 2.362 6.713 1.00 0.00 H new ATOM 0 HA TRP A 19 1.862 3.033 9.124 1.00 0.00 H new ATOM 0 HB2 TRP A 19 1.655 0.657 7.246 1.00 0.00 H new ATOM 0 HB3 TRP A 19 0.626 0.815 8.657 1.00 0.00 H new ATOM 0 HD1 TRP A 19 1.505 3.965 6.637 1.00 0.00 H new ATOM 0 HE1 TRP A 19 -0.616 4.859 5.457 1.00 0.00 H new ATOM 0 HE3 TRP A 19 -1.631 0.068 7.682 1.00 0.00 H new ATOM 0 HZ2 TRP A 19 -3.257 3.980 5.051 1.00 0.00 H new ATOM 0 HZ3 TRP A 19 -3.951 0.167 6.862 1.00 0.00 H new ATOM 0 HH2 TRP A 19 -4.751 2.097 5.561 1.00 0.00 H new ATOM 242 N ASN A 20 3.861 0.420 9.284 1.00 0.00 N ATOM 243 CA ASN A 20 4.552 -0.473 10.206 1.00 0.00 C ATOM 244 C ASN A 20 5.433 0.316 11.170 1.00 0.00 C ATOM 245 O ASN A 20 5.096 0.481 12.343 1.00 0.00 O ATOM 246 CB ASN A 20 5.401 -1.483 9.431 1.00 0.00 C ATOM 247 CG ASN A 20 6.088 -2.481 10.343 1.00 0.00 C ATOM 248 OD1 ASN A 20 5.432 -3.250 11.046 1.00 0.00 O ATOM 249 ND2 ASN A 20 7.416 -2.473 10.335 1.00 0.00 N ATOM 0 H ASN A 20 4.140 0.317 8.308 1.00 0.00 H new ATOM 0 HA ASN A 20 3.800 -1.009 10.785 1.00 0.00 H new ATOM 0 HB2 ASN A 20 4.768 -2.018 8.723 1.00 0.00 H new ATOM 0 HB3 ASN A 20 6.152 -0.950 8.848 1.00 0.00 H new ATOM 0 HD21 ASN A 20 7.933 -3.122 10.928 1.00 0.00 H new ATOM 0 HD22 ASN A 20 7.918 -1.818 9.736 1.00 0.00 H new ATOM 256 N CYS A 21 6.562 0.802 10.668 1.00 0.00 N ATOM 257 CA CYS A 21 7.493 1.574 11.483 1.00 0.00 C ATOM 258 C CYS A 21 6.895 2.927 11.857 1.00 0.00 C ATOM 259 O CYS A 21 6.537 3.162 13.010 1.00 0.00 O ATOM 260 CB CYS A 21 8.812 1.776 10.735 1.00 0.00 C ATOM 261 SG CYS A 21 9.440 0.275 9.915 1.00 0.00 S ATOM 0 H CYS A 21 6.855 0.675 9.699 1.00 0.00 H new ATOM 0 HA CYS A 21 7.685 1.015 12.399 1.00 0.00 H new ATOM 0 HB2 CYS A 21 8.677 2.556 9.986 1.00 0.00 H new ATOM 0 HB3 CYS A 21 9.564 2.135 11.437 1.00 0.00 H new ATOM 266 N GLY A 22 6.789 3.814 10.872 1.00 0.00 N ATOM 267 CA GLY A 22 6.234 5.132 11.117 1.00 0.00 C ATOM 268 C GLY A 22 7.172 6.244 10.692 1.00 0.00 C ATOM 269 O GLY A 22 6.728 7.321 10.292 1.00 0.00 O ATOM 0 H GLY A 22 7.078 3.643 9.909 1.00 0.00 H new ATOM 0 HA2 GLY A 22 5.291 5.231 10.580 1.00 0.00 H new ATOM 0 HA3 GLY A 22 6.009 5.237 12.178 1.00 0.00 H new ATOM 273 N ARG A 23 8.473 5.985 10.780 1.00 0.00 N ATOM 274 CA ARG A 23 9.476 6.974 10.404 1.00 0.00 C ATOM 275 C ARG A 23 9.162 7.574 9.036 1.00 0.00 C ATOM 276 O ARG A 23 8.745 8.727 8.932 1.00 0.00 O ATOM 277 CB ARG A 23 10.867 6.339 10.388 1.00 0.00 C ATOM 278 CG ARG A 23 11.441 6.094 11.774 1.00 0.00 C ATOM 279 CD ARG A 23 12.711 5.259 11.711 1.00 0.00 C ATOM 280 NE ARG A 23 13.035 4.660 13.003 1.00 0.00 N ATOM 281 CZ ARG A 23 12.508 3.521 13.438 1.00 0.00 C ATOM 282 NH1 ARG A 23 11.636 2.861 12.688 1.00 0.00 N ATOM 283 NH2 ARG A 23 12.854 3.039 14.625 1.00 0.00 N ATOM 0 H ARG A 23 8.857 5.099 11.108 1.00 0.00 H new ATOM 0 HA ARG A 23 9.458 7.774 11.145 1.00 0.00 H new ATOM 0 HB2 ARG A 23 10.818 5.391 9.852 1.00 0.00 H new ATOM 0 HB3 ARG A 23 11.546 6.986 9.832 1.00 0.00 H new ATOM 0 HG2 ARG A 23 11.655 7.049 12.254 1.00 0.00 H new ATOM 0 HG3 ARG A 23 10.700 5.586 12.391 1.00 0.00 H new ATOM 0 HD2 ARG A 23 12.591 4.472 10.966 1.00 0.00 H new ATOM 0 HD3 ARG A 23 13.541 5.885 11.383 1.00 0.00 H new ATOM 0 HE ARG A 23 13.703 5.143 13.604 1.00 0.00 H new ATOM 0 HH11 ARG A 23 11.368 3.228 11.775 1.00 0.00 H new ATOM 0 HH12 ARG A 23 11.233 1.987 13.024 1.00 0.00 H new ATOM 0 HH21 ARG A 23 13.525 3.543 15.204 1.00 0.00 H new ATOM 0 HH22 ARG A 23 12.449 2.164 14.958 1.00 0.00 H new ATOM 297 N LYS A 24 9.367 6.782 7.988 1.00 0.00 N ATOM 298 CA LYS A 24 9.106 7.233 6.626 1.00 0.00 C ATOM 299 C LYS A 24 8.683 6.067 5.739 1.00 0.00 C ATOM 300 O LYS A 24 9.047 4.919 5.992 1.00 0.00 O ATOM 301 CB LYS A 24 10.350 7.906 6.043 1.00 0.00 C ATOM 302 CG LYS A 24 10.066 8.741 4.806 1.00 0.00 C ATOM 303 CD LYS A 24 11.264 8.780 3.873 1.00 0.00 C ATOM 304 CE LYS A 24 11.362 7.512 3.038 1.00 0.00 C ATOM 305 NZ LYS A 24 12.047 7.755 1.738 1.00 0.00 N ATOM 0 H LYS A 24 9.713 5.825 8.056 1.00 0.00 H new ATOM 0 HA LYS A 24 8.291 7.956 6.659 1.00 0.00 H new ATOM 0 HB2 LYS A 24 10.800 8.542 6.805 1.00 0.00 H new ATOM 0 HB3 LYS A 24 11.084 7.140 5.793 1.00 0.00 H new ATOM 0 HG2 LYS A 24 9.206 8.330 4.278 1.00 0.00 H new ATOM 0 HG3 LYS A 24 9.802 9.756 5.104 1.00 0.00 H new ATOM 0 HD2 LYS A 24 11.186 9.645 3.215 1.00 0.00 H new ATOM 0 HD3 LYS A 24 12.177 8.904 4.456 1.00 0.00 H new ATOM 0 HE2 LYS A 24 11.905 6.750 3.597 1.00 0.00 H new ATOM 0 HE3 LYS A 24 10.362 7.120 2.854 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 12.094 6.867 1.199 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 11.516 8.464 1.193 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 13.011 8.104 1.913 1.00 0.00 H new ATOM 319 N ALA A 25 7.914 6.369 4.698 1.00 0.00 N ATOM 320 CA ALA A 25 7.445 5.346 3.772 1.00 0.00 C ATOM 321 C ALA A 25 7.946 5.615 2.357 1.00 0.00 C ATOM 322 O ALA A 25 7.752 6.704 1.816 1.00 0.00 O ATOM 323 CB ALA A 25 5.925 5.274 3.790 1.00 0.00 C ATOM 0 H ALA A 25 7.603 7.314 4.475 1.00 0.00 H new ATOM 0 HA ALA A 25 7.847 4.386 4.096 1.00 0.00 H new ATOM 0 HB1 ALA A 25 5.589 4.506 3.094 1.00 0.00 H new ATOM 0 HB2 ALA A 25 5.584 5.027 4.795 1.00 0.00 H new ATOM 0 HB3 ALA A 25 5.512 6.238 3.494 1.00 0.00 H new ATOM 329 N SER A 26 8.593 4.617 1.764 1.00 0.00 N ATOM 330 CA SER A 26 9.126 4.748 0.413 1.00 0.00 C ATOM 331 C SER A 26 8.238 4.025 -0.595 1.00 0.00 C ATOM 332 O SER A 26 8.086 4.467 -1.733 1.00 0.00 O ATOM 333 CB SER A 26 10.549 4.190 0.348 1.00 0.00 C ATOM 334 OG SER A 26 11.029 4.171 -0.985 1.00 0.00 O ATOM 0 H SER A 26 8.761 3.709 2.198 1.00 0.00 H new ATOM 0 HA SER A 26 9.146 5.808 0.158 1.00 0.00 H new ATOM 0 HB2 SER A 26 11.210 4.797 0.967 1.00 0.00 H new ATOM 0 HB3 SER A 26 10.566 3.180 0.758 1.00 0.00 H new ATOM 0 HG SER A 26 11.941 3.812 -0.999 1.00 0.00 H new ATOM 340 N GLU A 27 7.653 2.911 -0.166 1.00 0.00 N ATOM 341 CA GLU A 27 6.780 2.126 -1.031 1.00 0.00 C ATOM 342 C GLU A 27 5.325 2.243 -0.586 1.00 0.00 C ATOM 343 O GLU A 27 5.003 2.997 0.333 1.00 0.00 O ATOM 344 CB GLU A 27 7.209 0.657 -1.028 1.00 0.00 C ATOM 345 CG GLU A 27 8.244 0.323 -2.090 1.00 0.00 C ATOM 346 CD GLU A 27 7.670 0.349 -3.493 1.00 0.00 C ATOM 347 OE1 GLU A 27 7.244 1.435 -3.940 1.00 0.00 O ATOM 348 OE2 GLU A 27 7.647 -0.716 -4.144 1.00 0.00 O ATOM 0 H GLU A 27 7.768 2.532 0.774 1.00 0.00 H new ATOM 0 HA GLU A 27 6.865 2.520 -2.044 1.00 0.00 H new ATOM 0 HB2 GLU A 27 7.614 0.407 -0.047 1.00 0.00 H new ATOM 0 HB3 GLU A 27 6.330 0.030 -1.179 1.00 0.00 H new ATOM 0 HG2 GLU A 27 9.068 1.034 -2.025 1.00 0.00 H new ATOM 0 HG3 GLU A 27 8.659 -0.665 -1.890 1.00 0.00 H new ATOM 355 N THR A 28 4.449 1.491 -1.245 1.00 0.00 N ATOM 356 CA THR A 28 3.028 1.511 -0.920 1.00 0.00 C ATOM 357 C THR A 28 2.327 0.263 -1.443 1.00 0.00 C ATOM 358 O THR A 28 2.597 -0.194 -2.554 1.00 0.00 O ATOM 359 CB THR A 28 2.336 2.757 -1.503 1.00 0.00 C ATOM 360 OG1 THR A 28 3.165 3.910 -1.319 1.00 0.00 O ATOM 361 CG2 THR A 28 0.986 2.986 -0.841 1.00 0.00 C ATOM 0 H THR A 28 4.699 0.861 -2.007 1.00 0.00 H new ATOM 0 HA THR A 28 2.953 1.538 0.167 1.00 0.00 H new ATOM 0 HB THR A 28 2.177 2.591 -2.569 1.00 0.00 H new ATOM 0 HG1 THR A 28 3.689 3.808 -0.497 1.00 0.00 H new ATOM 0 HG21 THR A 28 0.516 3.872 -1.269 1.00 0.00 H new ATOM 0 HG22 THR A 28 0.347 2.119 -1.009 1.00 0.00 H new ATOM 0 HG23 THR A 28 1.126 3.132 0.230 1.00 0.00 H new ATOM 369 N CYS A 29 1.425 -0.285 -0.636 1.00 0.00 N ATOM 370 CA CYS A 29 0.683 -1.481 -1.017 1.00 0.00 C ATOM 371 C CYS A 29 0.280 -1.426 -2.488 1.00 0.00 C ATOM 372 O CYS A 29 -0.461 -0.537 -2.906 1.00 0.00 O ATOM 373 CB CYS A 29 -0.561 -1.636 -0.141 1.00 0.00 C ATOM 374 SG CYS A 29 -1.720 -2.919 -0.716 1.00 0.00 S ATOM 0 H CYS A 29 1.190 0.080 0.287 1.00 0.00 H new ATOM 0 HA CYS A 29 1.333 -2.344 -0.869 1.00 0.00 H new ATOM 0 HB2 CYS A 29 -0.249 -1.873 0.876 1.00 0.00 H new ATOM 0 HB3 CYS A 29 -1.084 -0.681 -0.099 1.00 0.00 H new ATOM 379 N SER A 30 0.774 -2.383 -3.267 1.00 0.00 N ATOM 380 CA SER A 30 0.468 -2.442 -4.692 1.00 0.00 C ATOM 381 C SER A 30 -0.889 -3.097 -4.930 1.00 0.00 C ATOM 382 O SER A 30 -1.106 -3.751 -5.949 1.00 0.00 O ATOM 383 CB SER A 30 1.557 -3.215 -5.437 1.00 0.00 C ATOM 384 OG SER A 30 2.728 -2.431 -5.586 1.00 0.00 O ATOM 0 H SER A 30 1.387 -3.128 -2.936 1.00 0.00 H new ATOM 0 HA SER A 30 0.431 -1.421 -5.073 1.00 0.00 H new ATOM 0 HB2 SER A 30 1.795 -4.129 -4.894 1.00 0.00 H new ATOM 0 HB3 SER A 30 1.188 -3.514 -6.418 1.00 0.00 H new ATOM 0 HG SER A 30 3.409 -2.948 -6.064 1.00 0.00 H new ATOM 390 N GLY A 31 -1.802 -2.915 -3.979 1.00 0.00 N ATOM 391 CA GLY A 31 -3.127 -3.494 -4.103 1.00 0.00 C ATOM 392 C GLY A 31 -4.227 -2.465 -3.930 1.00 0.00 C ATOM 393 O GLY A 31 -5.226 -2.488 -4.649 1.00 0.00 O ATOM 0 H GLY A 31 -1.647 -2.377 -3.126 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -3.224 -3.965 -5.081 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -3.248 -4.280 -3.358 1.00 0.00 H new ATOM 397 N CYS A 32 -4.045 -1.562 -2.973 1.00 0.00 N ATOM 398 CA CYS A 32 -5.031 -0.521 -2.706 1.00 0.00 C ATOM 399 C CYS A 32 -4.388 0.862 -2.751 1.00 0.00 C ATOM 400 O CYS A 32 -5.079 1.876 -2.837 1.00 0.00 O ATOM 401 CB CYS A 32 -5.684 -0.747 -1.341 1.00 0.00 C ATOM 402 SG CYS A 32 -4.530 -0.634 0.064 1.00 0.00 S ATOM 0 H CYS A 32 -3.224 -1.530 -2.369 1.00 0.00 H new ATOM 0 HA CYS A 32 -5.796 -0.572 -3.481 1.00 0.00 H new ATOM 0 HB2 CYS A 32 -6.479 -0.013 -1.204 1.00 0.00 H new ATOM 0 HB3 CYS A 32 -6.154 -1.731 -1.333 1.00 0.00 H new ATOM 407 N ASN A 33 -3.060 0.893 -2.693 1.00 0.00 N ATOM 408 CA ASN A 33 -2.323 2.151 -2.727 1.00 0.00 C ATOM 409 C ASN A 33 -2.708 3.040 -1.548 1.00 0.00 C ATOM 410 O ASN A 33 -2.756 4.264 -1.668 1.00 0.00 O ATOM 411 CB ASN A 33 -2.590 2.887 -4.042 1.00 0.00 C ATOM 412 CG ASN A 33 -1.890 4.231 -4.105 1.00 0.00 C ATOM 413 OD1 ASN A 33 -2.523 5.262 -4.331 1.00 0.00 O ATOM 414 ND2 ASN A 33 -0.577 4.225 -3.905 1.00 0.00 N ATOM 0 H ASN A 33 -2.473 0.062 -2.622 1.00 0.00 H new ATOM 0 HA ASN A 33 -1.260 1.922 -2.655 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -2.258 2.268 -4.875 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -3.663 3.034 -4.162 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -0.052 5.099 -3.936 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -0.093 3.346 -3.721 1.00 0.00 H new ATOM 421 N THR A 34 -2.982 2.414 -0.408 1.00 0.00 N ATOM 422 CA THR A 34 -3.363 3.146 0.793 1.00 0.00 C ATOM 423 C THR A 34 -2.362 2.915 1.919 1.00 0.00 C ATOM 424 O THR A 34 -1.947 3.856 2.596 1.00 0.00 O ATOM 425 CB THR A 34 -4.767 2.738 1.279 1.00 0.00 C ATOM 426 OG1 THR A 34 -5.743 3.059 0.281 1.00 0.00 O ATOM 427 CG2 THR A 34 -5.116 3.442 2.581 1.00 0.00 C ATOM 0 H THR A 34 -2.947 1.401 -0.291 1.00 0.00 H new ATOM 0 HA THR A 34 -3.371 4.203 0.528 1.00 0.00 H new ATOM 0 HB THR A 34 -4.767 1.662 1.455 1.00 0.00 H new ATOM 0 HG1 THR A 34 -6.633 2.795 0.597 1.00 0.00 H new ATOM 0 HG21 THR A 34 -6.112 3.138 2.904 1.00 0.00 H new ATOM 0 HG22 THR A 34 -4.388 3.173 3.347 1.00 0.00 H new ATOM 0 HG23 THR A 34 -5.098 4.521 2.427 1.00 0.00 H new ATOM 435 N ALA A 35 -1.977 1.658 2.114 1.00 0.00 N ATOM 436 CA ALA A 35 -1.022 1.305 3.157 1.00 0.00 C ATOM 437 C ALA A 35 0.403 1.648 2.735 1.00 0.00 C ATOM 438 O ALA A 35 0.942 1.060 1.797 1.00 0.00 O ATOM 439 CB ALA A 35 -1.132 -0.175 3.494 1.00 0.00 C ATOM 0 H ALA A 35 -2.312 0.867 1.563 1.00 0.00 H new ATOM 0 HA ALA A 35 -1.261 1.888 4.046 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -0.413 -0.425 4.274 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -2.140 -0.394 3.846 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -0.922 -0.768 2.604 1.00 0.00 H new ATOM 445 N ARG A 36 1.008 2.604 3.433 1.00 0.00 N ATOM 446 CA ARG A 36 2.370 3.026 3.129 1.00 0.00 C ATOM 447 C ARG A 36 3.386 2.143 3.847 1.00 0.00 C ATOM 448 O ARG A 36 3.071 1.508 4.854 1.00 0.00 O ATOM 449 CB ARG A 36 2.575 4.488 3.532 1.00 0.00 C ATOM 450 CG ARG A 36 1.735 5.465 2.726 1.00 0.00 C ATOM 451 CD ARG A 36 2.272 5.626 1.312 1.00 0.00 C ATOM 452 NE ARG A 36 1.335 6.339 0.448 1.00 0.00 N ATOM 453 CZ ARG A 36 1.699 6.996 -0.647 1.00 0.00 C ATOM 454 NH1 ARG A 36 2.973 7.030 -1.011 1.00 0.00 N ATOM 455 NH2 ARG A 36 0.787 7.621 -1.381 1.00 0.00 N ATOM 0 H ARG A 36 0.576 3.101 4.212 1.00 0.00 H new ATOM 0 HA ARG A 36 2.523 2.927 2.054 1.00 0.00 H new ATOM 0 HB2 ARG A 36 2.335 4.602 4.589 1.00 0.00 H new ATOM 0 HB3 ARG A 36 3.628 4.744 3.415 1.00 0.00 H new ATOM 0 HG2 ARG A 36 0.704 5.114 2.687 1.00 0.00 H new ATOM 0 HG3 ARG A 36 1.723 6.434 3.225 1.00 0.00 H new ATOM 0 HD2 ARG A 36 3.219 6.165 1.343 1.00 0.00 H new ATOM 0 HD3 ARG A 36 2.479 4.643 0.889 1.00 0.00 H new ATOM 0 HE ARG A 36 0.347 6.332 0.700 1.00 0.00 H new ATOM 0 HH11 ARG A 36 3.677 6.551 -0.449 1.00 0.00 H new ATOM 0 HH12 ARG A 36 3.250 7.535 -1.853 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -0.194 7.597 -1.104 1.00 0.00 H new ATOM 0 HH22 ARG A 36 1.067 8.125 -2.222 1.00 0.00 H new ATOM 469 N TYR A 37 4.605 2.106 3.321 1.00 0.00 N ATOM 470 CA TYR A 37 5.667 1.298 3.909 1.00 0.00 C ATOM 471 C TYR A 37 7.039 1.885 3.590 1.00 0.00 C ATOM 472 O TYR A 37 7.203 2.613 2.610 1.00 0.00 O ATOM 473 CB TYR A 37 5.585 -0.141 3.397 1.00 0.00 C ATOM 474 CG TYR A 37 4.421 -0.921 3.968 1.00 0.00 C ATOM 475 CD1 TYR A 37 4.294 -1.114 5.338 1.00 0.00 C ATOM 476 CD2 TYR A 37 3.450 -1.465 3.137 1.00 0.00 C ATOM 477 CE1 TYR A 37 3.234 -1.826 5.863 1.00 0.00 C ATOM 478 CE2 TYR A 37 2.385 -2.177 3.653 1.00 0.00 C ATOM 479 CZ TYR A 37 2.281 -2.355 5.017 1.00 0.00 C ATOM 480 OH TYR A 37 1.223 -3.065 5.536 1.00 0.00 O ATOM 0 H TYR A 37 4.882 2.626 2.489 1.00 0.00 H new ATOM 0 HA TYR A 37 5.533 1.300 4.991 1.00 0.00 H new ATOM 0 HB2 TYR A 37 5.504 -0.127 2.310 1.00 0.00 H new ATOM 0 HB3 TYR A 37 6.513 -0.658 3.641 1.00 0.00 H new ATOM 0 HD1 TYR A 37 5.037 -0.700 6.004 1.00 0.00 H new ATOM 0 HD2 TYR A 37 3.529 -1.329 2.069 1.00 0.00 H new ATOM 0 HE1 TYR A 37 3.151 -1.968 6.930 1.00 0.00 H new ATOM 0 HE2 TYR A 37 1.638 -2.592 2.993 1.00 0.00 H new ATOM 0 HH TYR A 37 1.036 -3.839 4.964 1.00 0.00 H new ATOM 490 N CYS A 38 8.021 1.564 4.425 1.00 0.00 N ATOM 491 CA CYS A 38 9.380 2.058 4.234 1.00 0.00 C ATOM 492 C CYS A 38 10.112 1.240 3.174 1.00 0.00 C ATOM 493 O CYS A 38 11.297 1.452 2.921 1.00 0.00 O ATOM 494 CB CYS A 38 10.152 2.009 5.554 1.00 0.00 C ATOM 495 SG CYS A 38 10.301 0.340 6.268 1.00 0.00 S ATOM 0 H CYS A 38 7.901 0.964 5.241 1.00 0.00 H new ATOM 0 HA CYS A 38 9.320 3.092 3.893 1.00 0.00 H new ATOM 0 HB2 CYS A 38 11.151 2.414 5.393 1.00 0.00 H new ATOM 0 HB3 CYS A 38 9.657 2.658 6.276 1.00 0.00 H new ATOM 500 N GLY A 39 9.396 0.306 2.556 1.00 0.00 N ATOM 501 CA GLY A 39 9.993 -0.529 1.530 1.00 0.00 C ATOM 502 C GLY A 39 9.173 -1.772 1.244 1.00 0.00 C ATOM 503 O GLY A 39 8.411 -2.230 2.095 1.00 0.00 O ATOM 0 H GLY A 39 8.413 0.113 2.747 1.00 0.00 H new ATOM 0 HA2 GLY A 39 10.102 0.050 0.613 1.00 0.00 H new ATOM 0 HA3 GLY A 39 10.995 -0.823 1.842 1.00 0.00 H new ATOM 507 N SER A 40 9.329 -2.318 0.042 1.00 0.00 N ATOM 508 CA SER A 40 8.593 -3.512 -0.356 1.00 0.00 C ATOM 509 C SER A 40 8.711 -4.602 0.705 1.00 0.00 C ATOM 510 O SER A 40 7.778 -5.375 0.923 1.00 0.00 O ATOM 511 CB SER A 40 9.112 -4.033 -1.698 1.00 0.00 C ATOM 512 OG SER A 40 10.512 -4.246 -1.655 1.00 0.00 O ATOM 0 H SER A 40 9.958 -1.952 -0.673 1.00 0.00 H new ATOM 0 HA SER A 40 7.542 -3.243 -0.460 1.00 0.00 H new ATOM 0 HB2 SER A 40 8.607 -4.965 -1.950 1.00 0.00 H new ATOM 0 HB3 SER A 40 8.874 -3.318 -2.486 1.00 0.00 H new ATOM 0 HG SER A 40 10.819 -4.580 -2.524 1.00 0.00 H new ATOM 518 N PHE A 41 9.865 -4.657 1.363 1.00 0.00 N ATOM 519 CA PHE A 41 10.106 -5.652 2.401 1.00 0.00 C ATOM 520 C PHE A 41 9.146 -5.461 3.571 1.00 0.00 C ATOM 521 O PHE A 41 8.531 -6.416 4.047 1.00 0.00 O ATOM 522 CB PHE A 41 11.552 -5.565 2.893 1.00 0.00 C ATOM 523 CG PHE A 41 11.739 -4.612 4.039 1.00 0.00 C ATOM 524 CD1 PHE A 41 11.381 -4.978 5.327 1.00 0.00 C ATOM 525 CD2 PHE A 41 12.273 -3.351 3.830 1.00 0.00 C ATOM 526 CE1 PHE A 41 11.551 -4.104 6.383 1.00 0.00 C ATOM 527 CE2 PHE A 41 12.446 -2.472 4.882 1.00 0.00 C ATOM 528 CZ PHE A 41 12.085 -2.849 6.161 1.00 0.00 C ATOM 0 H PHE A 41 10.647 -4.024 1.195 1.00 0.00 H new ATOM 0 HA PHE A 41 9.934 -6.639 1.971 1.00 0.00 H new ATOM 0 HB2 PHE A 41 11.884 -6.557 3.198 1.00 0.00 H new ATOM 0 HB3 PHE A 41 12.191 -5.256 2.066 1.00 0.00 H new ATOM 0 HD1 PHE A 41 10.964 -5.958 5.507 1.00 0.00 H new ATOM 0 HD2 PHE A 41 12.558 -3.051 2.832 1.00 0.00 H new ATOM 0 HE1 PHE A 41 11.267 -4.401 7.382 1.00 0.00 H new ATOM 0 HE2 PHE A 41 12.863 -1.492 4.705 1.00 0.00 H new ATOM 0 HZ PHE A 41 12.220 -2.165 6.985 1.00 0.00 H new ATOM 538 N CYS A 42 9.024 -4.220 4.032 1.00 0.00 N ATOM 539 CA CYS A 42 8.140 -3.902 5.147 1.00 0.00 C ATOM 540 C CYS A 42 6.680 -4.133 4.768 1.00 0.00 C ATOM 541 O CYS A 42 5.827 -4.323 5.634 1.00 0.00 O ATOM 542 CB CYS A 42 8.341 -2.450 5.586 1.00 0.00 C ATOM 543 SG CYS A 42 7.694 -2.079 7.248 1.00 0.00 S ATOM 0 H CYS A 42 9.526 -3.419 3.650 1.00 0.00 H new ATOM 0 HA CYS A 42 8.390 -4.564 5.976 1.00 0.00 H new ATOM 0 HB2 CYS A 42 9.406 -2.219 5.562 1.00 0.00 H new ATOM 0 HB3 CYS A 42 7.856 -1.793 4.864 1.00 0.00 H new ATOM 548 N GLN A 43 6.403 -4.115 3.468 1.00 0.00 N ATOM 549 CA GLN A 43 5.046 -4.322 2.975 1.00 0.00 C ATOM 550 C GLN A 43 4.719 -5.809 2.889 1.00 0.00 C ATOM 551 O GLN A 43 3.700 -6.262 3.411 1.00 0.00 O ATOM 552 CB GLN A 43 4.876 -3.670 1.601 1.00 0.00 C ATOM 553 CG GLN A 43 3.514 -3.919 0.974 1.00 0.00 C ATOM 554 CD GLN A 43 3.512 -5.110 0.037 1.00 0.00 C ATOM 555 OE1 GLN A 43 4.448 -5.909 0.028 1.00 0.00 O ATOM 556 NE2 GLN A 43 2.456 -5.235 -0.760 1.00 0.00 N ATOM 0 H GLN A 43 7.099 -3.960 2.738 1.00 0.00 H new ATOM 0 HA GLN A 43 4.355 -3.857 3.679 1.00 0.00 H new ATOM 0 HB2 GLN A 43 5.032 -2.595 1.696 1.00 0.00 H new ATOM 0 HB3 GLN A 43 5.649 -4.046 0.931 1.00 0.00 H new ATOM 0 HG2 GLN A 43 2.779 -4.081 1.763 1.00 0.00 H new ATOM 0 HG3 GLN A 43 3.203 -3.030 0.426 1.00 0.00 H new ATOM 0 HE21 GLN A 43 1.702 -4.549 -0.719 1.00 0.00 H new ATOM 0 HE22 GLN A 43 2.399 -6.017 -1.412 1.00 0.00 H new ATOM 565 N HIS A 44 5.589 -6.564 2.226 1.00 0.00 N ATOM 566 CA HIS A 44 5.393 -8.001 2.072 1.00 0.00 C ATOM 567 C HIS A 44 5.082 -8.654 3.415 1.00 0.00 C ATOM 568 O HIS A 44 4.164 -9.467 3.525 1.00 0.00 O ATOM 569 CB HIS A 44 6.635 -8.644 1.454 1.00 0.00 C ATOM 570 CG HIS A 44 6.599 -8.701 -0.042 1.00 0.00 C ATOM 571 ND1 HIS A 44 7.658 -9.149 -0.804 1.00 0.00 N ATOM 572 CD2 HIS A 44 5.623 -8.366 -0.917 1.00 0.00 C ATOM 573 CE1 HIS A 44 7.335 -9.085 -2.083 1.00 0.00 C ATOM 574 NE2 HIS A 44 6.105 -8.613 -2.179 1.00 0.00 N ATOM 0 H HIS A 44 6.437 -6.205 1.787 1.00 0.00 H new ATOM 0 HA HIS A 44 4.544 -8.157 1.407 1.00 0.00 H new ATOM 0 HB2 HIS A 44 7.517 -8.085 1.767 1.00 0.00 H new ATOM 0 HB3 HIS A 44 6.743 -9.656 1.845 1.00 0.00 H new ATOM 0 HD2 HIS A 44 4.647 -7.977 -0.669 1.00 0.00 H new ATOM 0 HE1 HIS A 44 7.969 -9.370 -2.910 1.00 0.00 H new ATOM 0 HE2 HIS A 44 5.596 -8.457 -3.049 1.00 0.00 H new ATOM 583 N LYS A 45 5.853 -8.293 4.435 1.00 0.00 N ATOM 584 CA LYS A 45 5.661 -8.843 5.772 1.00 0.00 C ATOM 585 C LYS A 45 4.373 -8.316 6.397 1.00 0.00 C ATOM 586 O LYS A 45 3.652 -9.053 7.069 1.00 0.00 O ATOM 587 CB LYS A 45 6.854 -8.494 6.666 1.00 0.00 C ATOM 588 CG LYS A 45 6.935 -7.020 7.023 1.00 0.00 C ATOM 589 CD LYS A 45 8.182 -6.711 7.834 1.00 0.00 C ATOM 590 CE LYS A 45 7.954 -6.949 9.319 1.00 0.00 C ATOM 591 NZ LYS A 45 7.029 -5.941 9.907 1.00 0.00 N ATOM 0 H LYS A 45 6.617 -7.621 4.361 1.00 0.00 H new ATOM 0 HA LYS A 45 5.585 -9.927 5.684 1.00 0.00 H new ATOM 0 HB2 LYS A 45 6.793 -9.079 7.584 1.00 0.00 H new ATOM 0 HB3 LYS A 45 7.774 -8.788 6.161 1.00 0.00 H new ATOM 0 HG2 LYS A 45 6.936 -6.423 6.111 1.00 0.00 H new ATOM 0 HG3 LYS A 45 6.050 -6.733 7.591 1.00 0.00 H new ATOM 0 HD2 LYS A 45 9.007 -7.334 7.487 1.00 0.00 H new ATOM 0 HD3 LYS A 45 8.475 -5.674 7.671 1.00 0.00 H new ATOM 0 HE2 LYS A 45 7.544 -7.948 9.468 1.00 0.00 H new ATOM 0 HE3 LYS A 45 8.909 -6.915 9.843 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 7.156 -5.914 10.939 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 7.238 -5.004 9.508 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 6.047 -6.200 9.685 1.00 0.00 H new ATOM 605 N ASP A 46 4.090 -7.038 6.169 1.00 0.00 N ATOM 606 CA ASP A 46 2.887 -6.414 6.708 1.00 0.00 C ATOM 607 C ASP A 46 1.730 -6.521 5.719 1.00 0.00 C ATOM 608 O ASP A 46 0.714 -5.842 5.863 1.00 0.00 O ATOM 609 CB ASP A 46 3.155 -4.946 7.042 1.00 0.00 C ATOM 610 CG ASP A 46 2.277 -4.440 8.170 1.00 0.00 C ATOM 611 OD1 ASP A 46 1.159 -4.970 8.335 1.00 0.00 O ATOM 612 OD2 ASP A 46 2.708 -3.512 8.887 1.00 0.00 O ATOM 0 H ASP A 46 4.677 -6.414 5.615 1.00 0.00 H new ATOM 0 HA ASP A 46 2.611 -6.942 7.621 1.00 0.00 H new ATOM 0 HB2 ASP A 46 4.202 -4.824 7.318 1.00 0.00 H new ATOM 0 HB3 ASP A 46 2.987 -4.338 6.153 1.00 0.00 H new ATOM 617 N TRP A 47 1.893 -7.376 4.716 1.00 0.00 N ATOM 618 CA TRP A 47 0.863 -7.571 3.703 1.00 0.00 C ATOM 619 C TRP A 47 -0.167 -8.597 4.164 1.00 0.00 C ATOM 620 O TRP A 47 -1.326 -8.260 4.404 1.00 0.00 O ATOM 621 CB TRP A 47 1.493 -8.020 2.384 1.00 0.00 C ATOM 622 CG TRP A 47 0.495 -8.541 1.395 1.00 0.00 C ATOM 623 CD1 TRP A 47 0.454 -9.794 0.854 1.00 0.00 C ATOM 624 CD2 TRP A 47 -0.605 -7.820 0.828 1.00 0.00 C ATOM 625 NE1 TRP A 47 -0.605 -9.896 -0.015 1.00 0.00 N ATOM 626 CE2 TRP A 47 -1.271 -8.700 -0.049 1.00 0.00 C ATOM 627 CE3 TRP A 47 -1.093 -6.519 0.976 1.00 0.00 C ATOM 628 CZ2 TRP A 47 -2.397 -8.317 -0.772 1.00 0.00 C ATOM 629 CZ3 TRP A 47 -2.211 -6.141 0.256 1.00 0.00 C ATOM 630 CH2 TRP A 47 -2.853 -7.038 -0.608 1.00 0.00 C ATOM 0 H TRP A 47 2.729 -7.945 4.583 1.00 0.00 H new ATOM 0 HA TRP A 47 0.356 -6.618 3.549 1.00 0.00 H new ATOM 0 HB2 TRP A 47 2.028 -7.180 1.941 1.00 0.00 H new ATOM 0 HB3 TRP A 47 2.231 -8.796 2.588 1.00 0.00 H new ATOM 0 HD1 TRP A 47 1.151 -10.588 1.077 1.00 0.00 H new ATOM 0 HE1 TRP A 47 -0.855 -10.728 -0.549 1.00 0.00 H new ATOM 0 HE3 TRP A 47 -0.606 -5.821 1.641 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 -2.893 -9.006 -1.439 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 -2.596 -5.137 0.361 1.00 0.00 H new ATOM 0 HH2 TRP A 47 -3.725 -6.713 -1.155 1.00 0.00 H new ATOM 641 N GLU A 48 0.264 -9.848 4.285 1.00 0.00 N ATOM 642 CA GLU A 48 -0.623 -10.922 4.717 1.00 0.00 C ATOM 643 C GLU A 48 -1.546 -10.449 5.836 1.00 0.00 C ATOM 644 O GLU A 48 -2.630 -10.998 6.036 1.00 0.00 O ATOM 645 CB GLU A 48 0.192 -12.128 5.190 1.00 0.00 C ATOM 646 CG GLU A 48 1.141 -11.810 6.334 1.00 0.00 C ATOM 647 CD GLU A 48 1.418 -13.015 7.213 1.00 0.00 C ATOM 648 OE1 GLU A 48 1.247 -14.154 6.731 1.00 0.00 O ATOM 649 OE2 GLU A 48 1.806 -12.817 8.383 1.00 0.00 O ATOM 0 H GLU A 48 1.221 -10.143 4.090 1.00 0.00 H new ATOM 0 HA GLU A 48 -1.235 -11.217 3.865 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -0.491 -12.917 5.504 1.00 0.00 H new ATOM 0 HB3 GLU A 48 0.766 -12.520 4.351 1.00 0.00 H new ATOM 0 HG2 GLU A 48 2.081 -11.437 5.928 1.00 0.00 H new ATOM 0 HG3 GLU A 48 0.717 -11.011 6.942 1.00 0.00 H new ATOM 656 N LYS A 49 -1.109 -9.426 6.562 1.00 0.00 N ATOM 657 CA LYS A 49 -1.895 -8.876 7.661 1.00 0.00 C ATOM 658 C LYS A 49 -2.744 -7.701 7.188 1.00 0.00 C ATOM 659 O LYS A 49 -3.915 -7.583 7.548 1.00 0.00 O ATOM 660 CB LYS A 49 -0.975 -8.429 8.799 1.00 0.00 C ATOM 661 CG LYS A 49 -0.199 -9.569 9.437 1.00 0.00 C ATOM 662 CD LYS A 49 0.558 -9.106 10.671 1.00 0.00 C ATOM 663 CE LYS A 49 1.942 -8.585 10.313 1.00 0.00 C ATOM 664 NZ LYS A 49 2.686 -8.118 11.515 1.00 0.00 N ATOM 0 H LYS A 49 -0.214 -8.960 6.409 1.00 0.00 H new ATOM 0 HA LYS A 49 -2.561 -9.658 8.026 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -0.271 -7.690 8.417 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -1.572 -7.934 9.565 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -0.886 -10.370 9.710 1.00 0.00 H new ATOM 0 HG3 LYS A 49 0.502 -9.983 8.713 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -0.008 -8.322 11.174 1.00 0.00 H new ATOM 0 HD3 LYS A 49 0.650 -9.934 11.374 1.00 0.00 H new ATOM 0 HE2 LYS A 49 2.510 -9.373 9.818 1.00 0.00 H new ATOM 0 HE3 LYS A 49 1.848 -7.764 9.602 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 3.624 -7.771 11.230 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 2.157 -7.349 11.974 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 2.798 -8.908 12.183 1.00 0.00 H new ATOM 678 N HIS A 50 -2.146 -6.833 6.378 1.00 0.00 N ATOM 679 CA HIS A 50 -2.848 -5.667 5.853 1.00 0.00 C ATOM 680 C HIS A 50 -3.945 -6.086 4.880 1.00 0.00 C ATOM 681 O HIS A 50 -5.094 -5.661 5.002 1.00 0.00 O ATOM 682 CB HIS A 50 -1.866 -4.724 5.158 1.00 0.00 C ATOM 683 CG HIS A 50 -2.530 -3.721 4.265 1.00 0.00 C ATOM 684 ND1 HIS A 50 -3.261 -2.655 4.743 1.00 0.00 N ATOM 685 CD2 HIS A 50 -2.567 -3.626 2.915 1.00 0.00 C ATOM 686 CE1 HIS A 50 -3.721 -1.948 3.727 1.00 0.00 C ATOM 687 NE2 HIS A 50 -3.314 -2.516 2.606 1.00 0.00 N ATOM 0 H HIS A 50 -1.177 -6.915 6.071 1.00 0.00 H new ATOM 0 HA HIS A 50 -3.310 -5.144 6.691 1.00 0.00 H new ATOM 0 HB2 HIS A 50 -1.284 -4.197 5.914 1.00 0.00 H new ATOM 0 HB3 HIS A 50 -1.163 -5.314 4.569 1.00 0.00 H new ATOM 0 HD1 HIS A 50 -3.422 -2.445 5.728 1.00 0.00 H new ATOM 0 HD2 HIS A 50 -2.097 -4.298 2.212 1.00 0.00 H new ATOM 0 HE1 HIS A 50 -4.327 -1.057 3.800 1.00 0.00 H new ATOM 696 N HIS A 51 -3.583 -6.923 3.912 1.00 0.00 N ATOM 697 CA HIS A 51 -4.537 -7.400 2.917 1.00 0.00 C ATOM 698 C HIS A 51 -5.855 -7.798 3.575 1.00 0.00 C ATOM 699 O HIS A 51 -6.896 -7.857 2.919 1.00 0.00 O ATOM 700 CB HIS A 51 -3.957 -8.589 2.151 1.00 0.00 C ATOM 701 CG HIS A 51 -4.998 -9.464 1.524 1.00 0.00 C ATOM 702 ND1 HIS A 51 -5.938 -8.993 0.631 1.00 0.00 N ATOM 703 CD2 HIS A 51 -5.243 -10.787 1.663 1.00 0.00 C ATOM 704 CE1 HIS A 51 -6.717 -9.990 0.250 1.00 0.00 C ATOM 705 NE2 HIS A 51 -6.316 -11.090 0.862 1.00 0.00 N ATOM 0 H HIS A 51 -2.636 -7.285 3.796 1.00 0.00 H new ATOM 0 HA HIS A 51 -4.731 -6.587 2.217 1.00 0.00 H new ATOM 0 HB2 HIS A 51 -3.289 -8.219 1.373 1.00 0.00 H new ATOM 0 HB3 HIS A 51 -3.352 -9.189 2.831 1.00 0.00 H new ATOM 0 HD1 HIS A 51 -6.019 -8.027 0.314 1.00 0.00 H new ATOM 0 HD2 HIS A 51 -4.696 -11.477 2.288 1.00 0.00 H new ATOM 0 HE1 HIS A 51 -7.541 -9.918 -0.444 1.00 0.00 H new ATOM 714 N HIS A 52 -5.803 -8.072 4.875 1.00 0.00 N ATOM 715 CA HIS A 52 -6.993 -8.465 5.621 1.00 0.00 C ATOM 716 C HIS A 52 -8.025 -7.341 5.630 1.00 0.00 C ATOM 717 O HIS A 52 -9.137 -7.511 6.131 1.00 0.00 O ATOM 718 CB HIS A 52 -6.620 -8.841 7.056 1.00 0.00 C ATOM 719 CG HIS A 52 -5.774 -10.073 7.151 1.00 0.00 C ATOM 720 ND1 HIS A 52 -5.801 -11.079 6.209 1.00 0.00 N ATOM 721 CD2 HIS A 52 -4.872 -10.458 8.085 1.00 0.00 C ATOM 722 CE1 HIS A 52 -4.953 -12.030 6.559 1.00 0.00 C ATOM 723 NE2 HIS A 52 -4.377 -11.677 7.694 1.00 0.00 N ATOM 0 H HIS A 52 -4.950 -8.029 5.433 1.00 0.00 H new ATOM 0 HA HIS A 52 -7.431 -9.333 5.127 1.00 0.00 H new ATOM 0 HB2 HIS A 52 -6.087 -8.008 7.514 1.00 0.00 H new ATOM 0 HB3 HIS A 52 -7.533 -8.991 7.633 1.00 0.00 H new ATOM 0 HD2 HIS A 52 -4.594 -9.908 8.972 1.00 0.00 H new ATOM 0 HE1 HIS A 52 -4.763 -12.941 6.010 1.00 0.00 H new ATOM 0 HE2 HIS A 52 -3.678 -12.222 8.198 1.00 0.00 H new ATOM 732 N ILE A 53 -7.650 -6.195 5.072 1.00 0.00 N ATOM 733 CA ILE A 53 -8.543 -5.045 5.015 1.00 0.00 C ATOM 734 C ILE A 53 -8.766 -4.592 3.576 1.00 0.00 C ATOM 735 O ILE A 53 -9.834 -4.087 3.231 1.00 0.00 O ATOM 736 CB ILE A 53 -7.991 -3.863 5.834 1.00 0.00 C ATOM 737 CG1 ILE A 53 -6.948 -3.094 5.020 1.00 0.00 C ATOM 738 CG2 ILE A 53 -7.392 -4.358 7.141 1.00 0.00 C ATOM 739 CD1 ILE A 53 -6.348 -1.920 5.763 1.00 0.00 C ATOM 0 H ILE A 53 -6.733 -6.038 4.653 1.00 0.00 H new ATOM 0 HA ILE A 53 -9.493 -5.362 5.444 1.00 0.00 H new ATOM 0 HB ILE A 53 -8.813 -3.186 6.068 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -6.149 -3.777 4.730 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -7.409 -2.734 4.100 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -7.006 -3.511 7.708 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -8.160 -4.866 7.724 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -6.579 -5.053 6.929 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -5.617 -1.421 5.126 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -7.137 -1.217 6.030 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -5.857 -2.275 6.669 1.00 0.00 H new ATOM 751 N CYS A 54 -7.750 -4.778 2.739 1.00 0.00 N ATOM 752 CA CYS A 54 -7.834 -4.391 1.336 1.00 0.00 C ATOM 753 C CYS A 54 -7.921 -5.621 0.437 1.00 0.00 C ATOM 754 O CYS A 54 -7.620 -6.736 0.862 1.00 0.00 O ATOM 755 CB CYS A 54 -6.621 -3.545 0.946 1.00 0.00 C ATOM 756 SG CYS A 54 -5.100 -4.508 0.672 1.00 0.00 S ATOM 0 H CYS A 54 -6.859 -5.195 3.009 1.00 0.00 H new ATOM 0 HA CYS A 54 -8.740 -3.800 1.201 1.00 0.00 H new ATOM 0 HB2 CYS A 54 -6.855 -2.990 0.038 1.00 0.00 H new ATOM 0 HB3 CYS A 54 -6.437 -2.810 1.730 1.00 0.00 H new ATOM 761 N SER A 55 -8.335 -5.408 -0.808 1.00 0.00 N ATOM 762 CA SER A 55 -8.465 -6.499 -1.767 1.00 0.00 C ATOM 763 C SER A 55 -7.095 -7.038 -2.166 1.00 0.00 C ATOM 764 O SER A 55 -6.756 -8.184 -1.871 1.00 0.00 O ATOM 765 CB SER A 55 -9.221 -6.026 -3.010 1.00 0.00 C ATOM 766 OG SER A 55 -10.616 -5.971 -2.768 1.00 0.00 O ATOM 0 H SER A 55 -8.586 -4.490 -1.176 1.00 0.00 H new ATOM 0 HA SER A 55 -9.028 -7.302 -1.292 1.00 0.00 H new ATOM 0 HB2 SER A 55 -8.861 -5.041 -3.305 1.00 0.00 H new ATOM 0 HB3 SER A 55 -9.019 -6.702 -3.841 1.00 0.00 H new ATOM 0 HG SER A 55 -11.076 -5.664 -3.577 1.00 0.00 H new ATOM 772 N GLY A 56 -6.310 -6.202 -2.839 1.00 0.00 N ATOM 773 CA GLY A 56 -4.985 -6.612 -3.268 1.00 0.00 C ATOM 774 C GLY A 56 -4.861 -6.683 -4.777 1.00 0.00 C ATOM 775 O GLY A 56 -5.854 -6.665 -5.505 1.00 0.00 O ATOM 0 H GLY A 56 -6.568 -5.249 -3.095 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -4.247 -5.911 -2.878 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -4.754 -7.588 -2.841 1.00 0.00 H new ATOM 779 N PRO A 57 -3.616 -6.765 -5.269 1.00 0.00 N ATOM 780 CA PRO A 57 -3.336 -6.839 -6.706 1.00 0.00 C ATOM 781 C PRO A 57 -3.768 -8.170 -7.313 1.00 0.00 C ATOM 782 O PRO A 57 -3.312 -9.232 -6.890 1.00 0.00 O ATOM 783 CB PRO A 57 -1.814 -6.687 -6.779 1.00 0.00 C ATOM 784 CG PRO A 57 -1.322 -7.163 -5.456 1.00 0.00 C ATOM 785 CD PRO A 57 -2.386 -6.791 -4.460 1.00 0.00 C ATOM 0 HA PRO A 57 -3.881 -6.080 -7.267 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -1.396 -7.279 -7.593 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -1.528 -5.651 -6.958 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -1.156 -8.240 -5.466 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -0.370 -6.696 -5.203 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -2.452 -7.519 -3.652 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -2.186 -5.823 -4.001 1.00 0.00 H new ATOM 793 N SER A 58 -4.649 -8.104 -8.306 1.00 0.00 N ATOM 794 CA SER A 58 -5.144 -9.304 -8.969 1.00 0.00 C ATOM 795 C SER A 58 -4.058 -9.934 -9.835 1.00 0.00 C ATOM 796 O SER A 58 -3.284 -9.233 -10.486 1.00 0.00 O ATOM 797 CB SER A 58 -6.367 -8.971 -9.826 1.00 0.00 C ATOM 798 OG SER A 58 -6.881 -10.133 -10.454 1.00 0.00 O ATOM 0 H SER A 58 -5.034 -7.232 -8.669 1.00 0.00 H new ATOM 0 HA SER A 58 -5.432 -10.021 -8.200 1.00 0.00 H new ATOM 0 HB2 SER A 58 -7.139 -8.519 -9.204 1.00 0.00 H new ATOM 0 HB3 SER A 58 -6.095 -8.235 -10.583 1.00 0.00 H new ATOM 0 HG SER A 58 -7.663 -9.894 -10.994 1.00 0.00 H new ATOM 804 N SER A 59 -4.008 -11.263 -9.838 1.00 0.00 N ATOM 805 CA SER A 59 -3.015 -11.989 -10.621 1.00 0.00 C ATOM 806 C SER A 59 -3.613 -13.264 -11.208 1.00 0.00 C ATOM 807 O SER A 59 -4.739 -13.640 -10.886 1.00 0.00 O ATOM 808 CB SER A 59 -1.803 -12.333 -9.753 1.00 0.00 C ATOM 809 OG SER A 59 -0.647 -12.530 -10.548 1.00 0.00 O ATOM 0 H SER A 59 -4.644 -11.858 -9.307 1.00 0.00 H new ATOM 0 HA SER A 59 -2.695 -11.347 -11.442 1.00 0.00 H new ATOM 0 HB2 SER A 59 -1.624 -11.530 -9.038 1.00 0.00 H new ATOM 0 HB3 SER A 59 -2.009 -13.234 -9.175 1.00 0.00 H new ATOM 0 HG SER A 59 0.114 -12.747 -9.970 1.00 0.00 H new ATOM 815 N GLY A 60 -2.849 -13.924 -12.073 1.00 0.00 N ATOM 816 CA GLY A 60 -3.319 -15.150 -12.692 1.00 0.00 C ATOM 817 C GLY A 60 -2.552 -15.493 -13.954 1.00 0.00 C ATOM 818 O GLY A 60 -3.130 -16.082 -14.865 1.00 0.00 O ATOM 0 H GLY A 60 -1.914 -13.632 -12.356 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -3.228 -15.971 -11.981 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -4.378 -15.051 -12.930 1.00 0.00 H new TER 822 GLY A 60 HETATM 823 ZN ZN A 201 8.437 0.138 7.750 1.00 0.00 ZN HETATM 824 ZN ZN A 401 -3.517 -2.716 0.604 1.00 0.00 ZN