USER MOD reduce.3.24.130724 H: found=0, std=0, add=434, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 434 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 4 HIS : no HD1:sc= -4.7 K(o=-7.6,f=-10!) USER MOD Set 1.2: A 62 ASN : amide:sc= -2.86 K(o=-7.6,f=-10!) USER MOD Set 2.1: A 7 GLN : amide:sc= -2.21 X(o=-2.8,f=-2.4) USER MOD Set 2.2: A 11 THR OG1 : rot -56:sc= -0.598 USER MOD Set 3.1: A 8 SER OG : rot 104:sc= -0.72 USER MOD Set 3.2: A 9 SER OG : rot 180:sc= 0.0314 USER MOD Set 4.1: A 5 ASN : amide:sc= -0.712 K(o=0.46,f=-8.2!) USER MOD Set 4.2: A 13 THR OG1 : rot 21:sc= 1.18 USER MOD Single : A 1 LEU N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 GLN : amide:sc= -0.0379 X(o=-0.038,f=0) USER MOD Single : A 10 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 SER OG : rot 180:sc= 0.0873 USER MOD Single : A 22 ASN : amide:sc= -0.166 K(o=-0.17,f=-2.4!) USER MOD Single : A 23 ASN : amide:sc= -0.0564 K(o=-0.056,f=-0.77) USER MOD Single : A 25 TYR OH : rot 88:sc= 0.381 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 ASN : amide:sc= 0 X(o=0,f=0.16) USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 SER OG : rot 180:sc= -0.0455 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 ASN : amide:sc= -1.18 K(o=-1.2,f=-2.7!) USER MOD Single : A 56 THR OG1 : rot -52:sc= 0.867 USER MOD Single : A 57 THR OG1 : rot 180:sc=-0.00271 USER MOD Single : A 61 ASN : amide:sc= -2.43 K(o=-2.4,f=-14!) USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 1.283 14.159 1.569 1.00 0.00 N ATOM 2 CA LEU A 1 0.959 13.103 0.575 1.00 0.00 C ATOM 3 C LEU A 1 -0.355 12.408 0.916 1.00 0.00 C ATOM 4 O LEU A 1 -0.618 12.091 2.077 1.00 0.00 O ATOM 5 CB LEU A 1 2.103 12.087 0.551 1.00 0.00 C ATOM 6 CG LEU A 1 2.102 11.138 -0.649 1.00 0.00 C ATOM 7 CD1 LEU A 1 2.690 11.822 -1.872 1.00 0.00 C ATOM 8 CD2 LEU A 1 2.873 9.869 -0.322 1.00 0.00 C ATOM 0 H1 LEU A 1 2.182 14.614 1.311 1.00 0.00 H new ATOM 0 H2 LEU A 1 0.525 14.871 1.579 1.00 0.00 H new ATOM 0 H3 LEU A 1 1.370 13.732 2.513 1.00 0.00 H new ATOM 0 HA LEU A 1 0.842 13.561 -0.407 1.00 0.00 H new ATOM 0 HB2 LEU A 1 3.049 12.628 0.566 1.00 0.00 H new ATOM 0 HB3 LEU A 1 2.061 11.493 1.464 1.00 0.00 H new ATOM 0 HG LEU A 1 1.071 10.866 -0.873 1.00 0.00 H new ATOM 0 HD11 LEU A 1 2.681 11.131 -2.715 1.00 0.00 H new ATOM 0 HD12 LEU A 1 2.096 12.702 -2.118 1.00 0.00 H new ATOM 0 HD13 LEU A 1 3.716 12.124 -1.662 1.00 0.00 H new ATOM 0 HD21 LEU A 1 2.863 9.204 -1.186 1.00 0.00 H new ATOM 0 HD22 LEU A 1 3.903 10.123 -0.072 1.00 0.00 H new ATOM 0 HD23 LEU A 1 2.407 9.368 0.526 1.00 0.00 H new ATOM 22 N GLU A 2 -1.178 12.175 -0.101 1.00 0.00 N ATOM 23 CA GLU A 2 -2.466 11.518 0.091 1.00 0.00 C ATOM 24 C GLU A 2 -2.617 10.331 -0.855 1.00 0.00 C ATOM 25 O GLU A 2 -2.638 10.496 -2.075 1.00 0.00 O ATOM 26 CB GLU A 2 -3.608 12.511 -0.131 1.00 0.00 C ATOM 27 CG GLU A 2 -3.416 13.397 -1.351 1.00 0.00 C ATOM 28 CD GLU A 2 -3.026 14.816 -0.986 1.00 0.00 C ATOM 29 OE1 GLU A 2 -2.354 14.998 0.051 1.00 0.00 O ATOM 30 OE2 GLU A 2 -3.393 15.744 -1.735 1.00 0.00 O ATOM 0 H GLU A 2 -0.976 12.432 -1.067 1.00 0.00 H new ATOM 0 HA GLU A 2 -2.509 11.151 1.116 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -4.542 11.960 -0.236 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -3.708 13.141 0.753 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -2.646 12.966 -1.991 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -4.339 13.416 -1.931 1.00 0.00 H new ATOM 37 N CYS A 3 -2.724 9.136 -0.284 1.00 0.00 N ATOM 38 CA CYS A 3 -2.876 7.921 -1.076 1.00 0.00 C ATOM 39 C CYS A 3 -4.293 7.369 -0.960 1.00 0.00 C ATOM 40 O CYS A 3 -5.137 7.937 -0.269 1.00 0.00 O ATOM 41 CB CYS A 3 -1.865 6.864 -0.626 1.00 0.00 C ATOM 42 SG CYS A 3 -0.323 6.851 -1.595 1.00 0.00 S ATOM 0 H CYS A 3 -2.708 8.983 0.724 1.00 0.00 H new ATOM 0 HA CYS A 3 -2.688 8.172 -2.120 1.00 0.00 H new ATOM 0 HB2 CYS A 3 -1.621 7.033 0.423 1.00 0.00 H new ATOM 0 HB3 CYS A 3 -2.331 5.881 -0.691 1.00 0.00 H new ATOM 47 N HIS A 4 -4.545 6.256 -1.643 1.00 0.00 N ATOM 48 CA HIS A 4 -5.857 5.626 -1.620 1.00 0.00 C ATOM 49 C HIS A 4 -5.912 4.522 -0.569 1.00 0.00 C ATOM 50 O HIS A 4 -5.169 3.543 -0.641 1.00 0.00 O ATOM 51 CB HIS A 4 -6.187 5.051 -2.998 1.00 0.00 C ATOM 52 CG HIS A 4 -6.838 6.038 -3.916 1.00 0.00 C ATOM 53 ND1 HIS A 4 -8.117 6.516 -3.723 1.00 0.00 N ATOM 54 CD2 HIS A 4 -6.379 6.641 -5.039 1.00 0.00 C ATOM 55 CE1 HIS A 4 -8.418 7.367 -4.687 1.00 0.00 C ATOM 56 NE2 HIS A 4 -7.380 7.461 -5.498 1.00 0.00 N ATOM 0 H HIS A 4 -3.856 5.773 -2.219 1.00 0.00 H new ATOM 0 HA HIS A 4 -6.596 6.385 -1.361 1.00 0.00 H new ATOM 0 HB2 HIS A 4 -5.269 4.687 -3.460 1.00 0.00 H new ATOM 0 HB3 HIS A 4 -6.845 4.191 -2.876 1.00 0.00 H new ATOM 0 HD2 HIS A 4 -5.407 6.503 -5.489 1.00 0.00 H new ATOM 0 HE1 HIS A 4 -9.354 7.896 -4.794 1.00 0.00 H new ATOM 0 HE2 HIS A 4 -7.330 8.048 -6.331 1.00 0.00 H new ATOM 65 N ASN A 5 -6.799 4.685 0.408 1.00 0.00 N ATOM 66 CA ASN A 5 -6.952 3.701 1.473 1.00 0.00 C ATOM 67 C ASN A 5 -7.788 2.507 1.011 1.00 0.00 C ATOM 68 O ASN A 5 -7.921 1.518 1.733 1.00 0.00 O ATOM 69 CB ASN A 5 -7.598 4.345 2.700 1.00 0.00 C ATOM 70 CG ASN A 5 -8.927 4.983 2.390 1.00 0.00 C ATOM 71 OD1 ASN A 5 -9.399 4.954 1.253 1.00 0.00 O ATOM 72 ND2 ASN A 5 -9.537 5.567 3.408 1.00 0.00 N ATOM 0 H ASN A 5 -7.422 5.489 0.484 1.00 0.00 H new ATOM 0 HA ASN A 5 -5.959 3.339 1.737 1.00 0.00 H new ATOM 0 HB2 ASN A 5 -7.734 3.589 3.473 1.00 0.00 H new ATOM 0 HB3 ASN A 5 -6.924 5.099 3.107 1.00 0.00 H new ATOM 0 HD21 ASN A 5 -10.440 6.020 3.269 1.00 0.00 H new ATOM 0 HD22 ASN A 5 -9.104 5.564 4.332 1.00 0.00 H new ATOM 79 N GLN A 6 -8.350 2.600 -0.194 1.00 0.00 N ATOM 80 CA GLN A 6 -9.171 1.525 -0.742 1.00 0.00 C ATOM 81 C GLN A 6 -8.431 0.190 -0.696 1.00 0.00 C ATOM 82 O GLN A 6 -7.201 0.149 -0.691 1.00 0.00 O ATOM 83 CB GLN A 6 -9.572 1.847 -2.183 1.00 0.00 C ATOM 84 CG GLN A 6 -10.887 1.209 -2.605 1.00 0.00 C ATOM 85 CD GLN A 6 -10.778 0.463 -3.920 1.00 0.00 C ATOM 86 OE1 GLN A 6 -11.236 0.940 -4.958 1.00 0.00 O ATOM 87 NE2 GLN A 6 -10.168 -0.717 -3.881 1.00 0.00 N ATOM 0 H GLN A 6 -8.251 3.409 -0.808 1.00 0.00 H new ATOM 0 HA GLN A 6 -10.068 1.442 -0.129 1.00 0.00 H new ATOM 0 HB2 GLN A 6 -9.649 2.928 -2.297 1.00 0.00 H new ATOM 0 HB3 GLN A 6 -8.782 1.511 -2.855 1.00 0.00 H new ATOM 0 HG2 GLN A 6 -11.218 0.521 -1.828 1.00 0.00 H new ATOM 0 HG3 GLN A 6 -11.650 1.982 -2.693 1.00 0.00 H new ATOM 0 HE21 GLN A 6 -9.803 -1.074 -2.998 1.00 0.00 H new ATOM 0 HE22 GLN A 6 -10.064 -1.266 -4.734 1.00 0.00 H new ATOM 96 N GLN A 7 -9.192 -0.897 -0.663 1.00 0.00 N ATOM 97 CA GLN A 7 -8.616 -2.236 -0.617 1.00 0.00 C ATOM 98 C GLN A 7 -9.556 -3.249 -1.262 1.00 0.00 C ATOM 99 O GLN A 7 -10.521 -2.874 -1.930 1.00 0.00 O ATOM 100 CB GLN A 7 -8.319 -2.634 0.832 1.00 0.00 C ATOM 101 CG GLN A 7 -9.562 -2.770 1.693 1.00 0.00 C ATOM 102 CD GLN A 7 -10.136 -1.428 2.104 1.00 0.00 C ATOM 103 OE1 GLN A 7 -9.398 -0.489 2.404 1.00 0.00 O ATOM 104 NE2 GLN A 7 -11.460 -1.330 2.120 1.00 0.00 N ATOM 0 H GLN A 7 -10.212 -0.878 -0.667 1.00 0.00 H new ATOM 0 HA GLN A 7 -7.682 -2.229 -1.179 1.00 0.00 H new ATOM 0 HB2 GLN A 7 -7.779 -3.581 0.836 1.00 0.00 H new ATOM 0 HB3 GLN A 7 -7.659 -1.889 1.277 1.00 0.00 H new ATOM 0 HG2 GLN A 7 -10.319 -3.333 1.146 1.00 0.00 H new ATOM 0 HG3 GLN A 7 -9.320 -3.346 2.586 1.00 0.00 H new ATOM 0 HE21 GLN A 7 -12.034 -2.133 1.864 1.00 0.00 H new ATOM 0 HE22 GLN A 7 -11.903 -0.451 2.388 1.00 0.00 H new ATOM 113 N SER A 8 -9.266 -4.533 -1.063 1.00 0.00 N ATOM 114 CA SER A 8 -10.080 -5.610 -1.628 1.00 0.00 C ATOM 115 C SER A 8 -11.572 -5.298 -1.518 1.00 0.00 C ATOM 116 O SER A 8 -12.314 -5.418 -2.493 1.00 0.00 O ATOM 117 CB SER A 8 -9.774 -6.932 -0.922 1.00 0.00 C ATOM 118 OG SER A 8 -9.500 -6.725 0.453 1.00 0.00 O ATOM 0 H SER A 8 -8.470 -4.855 -0.512 1.00 0.00 H new ATOM 0 HA SER A 8 -9.827 -5.697 -2.685 1.00 0.00 H new ATOM 0 HB2 SER A 8 -10.621 -7.610 -1.029 1.00 0.00 H new ATOM 0 HB3 SER A 8 -8.919 -7.413 -1.398 1.00 0.00 H new ATOM 0 HG SER A 8 -10.277 -6.996 0.986 1.00 0.00 H new ATOM 124 N SER A 9 -12.002 -4.890 -0.329 1.00 0.00 N ATOM 125 CA SER A 9 -13.401 -4.553 -0.099 1.00 0.00 C ATOM 126 C SER A 9 -13.720 -3.172 -0.663 1.00 0.00 C ATOM 127 O SER A 9 -12.853 -2.301 -0.721 1.00 0.00 O ATOM 128 CB SER A 9 -13.720 -4.591 1.398 1.00 0.00 C ATOM 129 OG SER A 9 -12.798 -5.411 2.094 1.00 0.00 O ATOM 0 H SER A 9 -11.402 -4.785 0.489 1.00 0.00 H new ATOM 0 HA SER A 9 -14.018 -5.291 -0.611 1.00 0.00 H new ATOM 0 HB2 SER A 9 -13.692 -3.580 1.805 1.00 0.00 H new ATOM 0 HB3 SER A 9 -14.732 -4.967 1.548 1.00 0.00 H new ATOM 0 HG SER A 9 -13.022 -5.418 3.048 1.00 0.00 H new ATOM 135 N GLN A 10 -14.966 -2.979 -1.081 1.00 0.00 N ATOM 136 CA GLN A 10 -15.393 -1.706 -1.643 1.00 0.00 C ATOM 137 C GLN A 10 -15.231 -0.578 -0.630 1.00 0.00 C ATOM 138 O GLN A 10 -15.867 -0.578 0.424 1.00 0.00 O ATOM 139 CB GLN A 10 -16.848 -1.794 -2.093 1.00 0.00 C ATOM 140 CG GLN A 10 -17.036 -2.538 -3.404 1.00 0.00 C ATOM 141 CD GLN A 10 -18.406 -2.309 -4.012 1.00 0.00 C ATOM 142 OE1 GLN A 10 -18.641 -1.304 -4.683 1.00 0.00 O ATOM 143 NE2 GLN A 10 -19.320 -3.244 -3.780 1.00 0.00 N ATOM 0 H GLN A 10 -15.697 -3.689 -1.041 1.00 0.00 H new ATOM 0 HA GLN A 10 -14.762 -1.487 -2.504 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -17.430 -2.290 -1.317 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -17.249 -0.786 -2.196 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -16.271 -2.219 -4.112 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -16.891 -3.605 -3.236 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -19.082 -4.061 -3.218 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -20.260 -3.145 -4.164 1.00 0.00 H new ATOM 152 N THR A 11 -14.382 0.389 -0.964 1.00 0.00 N ATOM 153 CA THR A 11 -14.136 1.532 -0.099 1.00 0.00 C ATOM 154 C THR A 11 -13.349 2.615 -0.837 1.00 0.00 C ATOM 155 O THR A 11 -12.220 2.937 -0.465 1.00 0.00 O ATOM 156 CB THR A 11 -13.377 1.108 1.164 1.00 0.00 C ATOM 157 OG1 THR A 11 -13.729 -0.207 1.553 1.00 0.00 O ATOM 158 CG2 THR A 11 -13.632 2.019 2.345 1.00 0.00 C ATOM 0 H THR A 11 -13.851 0.401 -1.835 1.00 0.00 H new ATOM 0 HA THR A 11 -15.104 1.940 0.193 1.00 0.00 H new ATOM 0 HB THR A 11 -12.322 1.166 0.896 1.00 0.00 H new ATOM 0 HG1 THR A 11 -14.700 -0.264 1.673 1.00 0.00 H new ATOM 0 HG21 THR A 11 -13.066 1.665 3.207 1.00 0.00 H new ATOM 0 HG22 THR A 11 -13.318 3.033 2.097 1.00 0.00 H new ATOM 0 HG23 THR A 11 -14.696 2.017 2.583 1.00 0.00 H new ATOM 166 N PRO A 12 -13.935 3.195 -1.900 1.00 0.00 N ATOM 167 CA PRO A 12 -13.282 4.246 -2.688 1.00 0.00 C ATOM 168 C PRO A 12 -13.108 5.537 -1.894 1.00 0.00 C ATOM 169 O PRO A 12 -14.028 6.350 -1.806 1.00 0.00 O ATOM 170 CB PRO A 12 -14.238 4.474 -3.869 1.00 0.00 C ATOM 171 CG PRO A 12 -15.180 3.316 -3.853 1.00 0.00 C ATOM 172 CD PRO A 12 -15.272 2.879 -2.420 1.00 0.00 C ATOM 0 HA PRO A 12 -12.277 3.953 -2.993 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -14.774 5.417 -3.763 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -13.692 4.522 -4.811 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -16.159 3.604 -4.237 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -14.815 2.507 -4.485 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -16.053 3.416 -1.882 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -15.499 1.816 -2.334 1.00 0.00 H new ATOM 180 N THR A 13 -11.924 5.720 -1.316 1.00 0.00 N ATOM 181 CA THR A 13 -11.639 6.915 -0.529 1.00 0.00 C ATOM 182 C THR A 13 -10.137 7.164 -0.434 1.00 0.00 C ATOM 183 O THR A 13 -9.330 6.322 -0.826 1.00 0.00 O ATOM 184 CB THR A 13 -12.233 6.782 0.873 1.00 0.00 C ATOM 185 OG1 THR A 13 -11.805 5.579 1.486 1.00 0.00 O ATOM 186 CG2 THR A 13 -13.746 6.790 0.886 1.00 0.00 C ATOM 0 H THR A 13 -11.150 5.059 -1.378 1.00 0.00 H new ATOM 0 HA THR A 13 -12.098 7.766 -1.033 1.00 0.00 H new ATOM 0 HB THR A 13 -11.877 7.654 1.421 1.00 0.00 H new ATOM 0 HG1 THR A 13 -10.984 5.265 1.052 1.00 0.00 H new ATOM 0 HG21 THR A 13 -14.102 6.692 1.912 1.00 0.00 H new ATOM 0 HG22 THR A 13 -14.109 7.727 0.464 1.00 0.00 H new ATOM 0 HG23 THR A 13 -14.119 5.956 0.292 1.00 0.00 H new ATOM 194 N THR A 14 -9.771 8.329 0.093 1.00 0.00 N ATOM 195 CA THR A 14 -8.367 8.695 0.246 1.00 0.00 C ATOM 196 C THR A 14 -8.094 9.208 1.656 1.00 0.00 C ATOM 197 O THR A 14 -8.964 9.806 2.289 1.00 0.00 O ATOM 198 CB THR A 14 -7.981 9.760 -0.781 1.00 0.00 C ATOM 199 OG1 THR A 14 -9.067 10.636 -1.027 1.00 0.00 O ATOM 200 CG2 THR A 14 -7.546 9.183 -2.110 1.00 0.00 C ATOM 0 H THR A 14 -10.428 9.036 0.422 1.00 0.00 H new ATOM 0 HA THR A 14 -7.762 7.804 0.077 1.00 0.00 H new ATOM 0 HB THR A 14 -7.136 10.291 -0.342 1.00 0.00 H new ATOM 0 HG1 THR A 14 -8.800 11.311 -1.685 1.00 0.00 H new ATOM 0 HG21 THR A 14 -7.287 9.993 -2.791 1.00 0.00 H new ATOM 0 HG22 THR A 14 -6.677 8.542 -1.961 1.00 0.00 H new ATOM 0 HG23 THR A 14 -8.360 8.597 -2.536 1.00 0.00 H new ATOM 208 N THR A 15 -6.879 8.973 2.143 1.00 0.00 N ATOM 209 CA THR A 15 -6.494 9.413 3.478 1.00 0.00 C ATOM 210 C THR A 15 -5.016 9.788 3.524 1.00 0.00 C ATOM 211 O THR A 15 -4.146 8.958 3.258 1.00 0.00 O ATOM 212 CB THR A 15 -6.787 8.317 4.505 1.00 0.00 C ATOM 213 OG1 THR A 15 -6.536 8.781 5.819 1.00 0.00 O ATOM 214 CG2 THR A 15 -5.966 7.063 4.295 1.00 0.00 C ATOM 0 H THR A 15 -6.146 8.481 1.633 1.00 0.00 H new ATOM 0 HA THR A 15 -7.082 10.297 3.724 1.00 0.00 H new ATOM 0 HB THR A 15 -7.839 8.068 4.369 1.00 0.00 H new ATOM 0 HG1 THR A 15 -6.731 8.067 6.461 1.00 0.00 H new ATOM 0 HG21 THR A 15 -6.224 6.328 5.057 1.00 0.00 H new ATOM 0 HG22 THR A 15 -6.176 6.651 3.308 1.00 0.00 H new ATOM 0 HG23 THR A 15 -4.906 7.306 4.369 1.00 0.00 H new ATOM 222 N GLY A 16 -4.738 11.044 3.861 1.00 0.00 N ATOM 223 CA GLY A 16 -3.375 11.508 3.932 1.00 0.00 C ATOM 224 C GLY A 16 -2.686 11.101 5.219 1.00 0.00 C ATOM 225 O GLY A 16 -3.291 11.132 6.291 1.00 0.00 O ATOM 0 H GLY A 16 -5.441 11.748 4.086 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -2.816 11.112 3.084 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -3.360 12.594 3.844 1.00 0.00 H new ATOM 229 N CYS A 17 -1.417 10.721 5.115 1.00 0.00 N ATOM 230 CA CYS A 17 -0.645 10.307 6.280 1.00 0.00 C ATOM 231 C CYS A 17 0.057 11.500 6.922 1.00 0.00 C ATOM 232 O CYS A 17 0.162 12.569 6.319 1.00 0.00 O ATOM 233 CB CYS A 17 0.383 9.245 5.885 1.00 0.00 C ATOM 234 SG CYS A 17 -0.330 7.808 5.022 1.00 0.00 S ATOM 0 H CYS A 17 -0.901 10.691 4.235 1.00 0.00 H new ATOM 0 HA CYS A 17 -1.335 9.881 7.009 1.00 0.00 H new ATOM 0 HB2 CYS A 17 1.136 9.704 5.244 1.00 0.00 H new ATOM 0 HB3 CYS A 17 0.896 8.899 6.782 1.00 0.00 H new ATOM 239 N SER A 18 0.534 11.311 8.147 1.00 0.00 N ATOM 240 CA SER A 18 1.225 12.371 8.871 1.00 0.00 C ATOM 241 C SER A 18 2.631 12.583 8.320 1.00 0.00 C ATOM 242 O SER A 18 3.257 11.651 7.816 1.00 0.00 O ATOM 243 CB SER A 18 1.296 12.035 10.362 1.00 0.00 C ATOM 244 OG SER A 18 1.335 10.633 10.568 1.00 0.00 O ATOM 0 H SER A 18 0.455 10.433 8.660 1.00 0.00 H new ATOM 0 HA SER A 18 0.660 13.294 8.738 1.00 0.00 H new ATOM 0 HB2 SER A 18 2.182 12.495 10.800 1.00 0.00 H new ATOM 0 HB3 SER A 18 0.432 12.457 10.875 1.00 0.00 H new ATOM 0 HG SER A 18 1.382 10.445 11.529 1.00 0.00 H new ATOM 250 N GLY A 19 3.119 13.817 8.415 1.00 0.00 N ATOM 251 CA GLY A 19 4.445 14.137 7.922 1.00 0.00 C ATOM 252 C GLY A 19 5.513 13.204 8.462 1.00 0.00 C ATOM 253 O GLY A 19 6.073 13.443 9.532 1.00 0.00 O ATOM 0 H GLY A 19 2.616 14.603 8.827 1.00 0.00 H new ATOM 0 HA2 GLY A 19 4.444 14.090 6.833 1.00 0.00 H new ATOM 0 HA3 GLY A 19 4.692 15.163 8.196 1.00 0.00 H new ATOM 257 N GLY A 20 5.794 12.138 7.721 1.00 0.00 N ATOM 258 CA GLY A 20 6.791 11.186 8.140 1.00 0.00 C ATOM 259 C GLY A 20 6.902 10.010 7.190 1.00 0.00 C ATOM 260 O GLY A 20 7.995 9.492 6.957 1.00 0.00 O ATOM 0 H GLY A 20 5.343 11.920 6.833 1.00 0.00 H new ATOM 0 HA2 GLY A 20 7.758 11.684 8.212 1.00 0.00 H new ATOM 0 HA3 GLY A 20 6.545 10.822 9.138 1.00 0.00 H new ATOM 264 N GLU A 21 5.770 9.590 6.642 1.00 0.00 N ATOM 265 CA GLU A 21 5.739 8.468 5.710 1.00 0.00 C ATOM 266 C GLU A 21 5.287 8.925 4.328 1.00 0.00 C ATOM 267 O GLU A 21 4.105 9.178 4.101 1.00 0.00 O ATOM 268 CB GLU A 21 4.804 7.374 6.229 1.00 0.00 C ATOM 269 CG GLU A 21 5.308 5.966 5.956 1.00 0.00 C ATOM 270 CD GLU A 21 5.814 5.274 7.207 1.00 0.00 C ATOM 271 OE1 GLU A 21 6.836 5.728 7.764 1.00 0.00 O ATOM 272 OE2 GLU A 21 5.188 4.280 7.631 1.00 0.00 O ATOM 0 H GLU A 21 4.859 10.009 6.826 1.00 0.00 H new ATOM 0 HA GLU A 21 6.749 8.065 5.629 1.00 0.00 H new ATOM 0 HB2 GLU A 21 4.670 7.501 7.303 1.00 0.00 H new ATOM 0 HB3 GLU A 21 3.824 7.496 5.768 1.00 0.00 H new ATOM 0 HG2 GLU A 21 4.504 5.375 5.519 1.00 0.00 H new ATOM 0 HG3 GLU A 21 6.110 6.008 5.219 1.00 0.00 H new ATOM 279 N ASN A 22 6.239 9.029 3.405 1.00 0.00 N ATOM 280 CA ASN A 22 5.939 9.457 2.044 1.00 0.00 C ATOM 281 C ASN A 22 5.915 8.265 1.092 1.00 0.00 C ATOM 282 O ASN A 22 6.169 8.409 -0.105 1.00 0.00 O ATOM 283 CB ASN A 22 6.971 10.482 1.570 1.00 0.00 C ATOM 284 CG ASN A 22 6.589 11.901 1.942 1.00 0.00 C ATOM 285 OD1 ASN A 22 5.458 12.165 2.352 1.00 0.00 O ATOM 286 ND2 ASN A 22 7.533 12.825 1.799 1.00 0.00 N ATOM 0 H ASN A 22 7.223 8.823 3.575 1.00 0.00 H new ATOM 0 HA ASN A 22 4.952 9.919 2.044 1.00 0.00 H new ATOM 0 HB2 ASN A 22 7.942 10.244 2.005 1.00 0.00 H new ATOM 0 HB3 ASN A 22 7.080 10.410 0.488 1.00 0.00 H new ATOM 0 HD21 ASN A 22 7.334 13.798 2.032 1.00 0.00 H new ATOM 0 HD22 ASN A 22 8.457 12.562 1.456 1.00 0.00 H new ATOM 293 N ASN A 23 5.606 7.089 1.630 1.00 0.00 N ATOM 294 CA ASN A 23 5.548 5.874 0.829 1.00 0.00 C ATOM 295 C ASN A 23 4.249 5.115 1.085 1.00 0.00 C ATOM 296 O ASN A 23 3.776 5.039 2.219 1.00 0.00 O ATOM 297 CB ASN A 23 6.746 4.976 1.141 1.00 0.00 C ATOM 298 CG ASN A 23 8.069 5.660 0.859 1.00 0.00 C ATOM 299 OD1 ASN A 23 8.367 6.014 -0.283 1.00 0.00 O ATOM 300 ND2 ASN A 23 8.871 5.849 1.899 1.00 0.00 N ATOM 0 H ASN A 23 5.392 6.953 2.618 1.00 0.00 H new ATOM 0 HA ASN A 23 5.580 6.160 -0.222 1.00 0.00 H new ATOM 0 HB2 ASN A 23 6.710 4.678 2.189 1.00 0.00 H new ATOM 0 HB3 ASN A 23 6.678 4.064 0.548 1.00 0.00 H new ATOM 0 HD21 ASN A 23 9.775 6.304 1.770 1.00 0.00 H new ATOM 0 HD22 ASN A 23 8.584 5.540 2.828 1.00 0.00 H new ATOM 307 N CYS A 24 3.677 4.554 0.024 1.00 0.00 N ATOM 308 CA CYS A 24 2.433 3.801 0.137 1.00 0.00 C ATOM 309 C CYS A 24 2.619 2.364 -0.337 1.00 0.00 C ATOM 310 O CYS A 24 2.933 2.119 -1.501 1.00 0.00 O ATOM 311 CB CYS A 24 1.327 4.477 -0.672 1.00 0.00 C ATOM 312 SG CYS A 24 1.079 6.235 -0.263 1.00 0.00 S ATOM 0 H CYS A 24 4.054 4.607 -0.922 1.00 0.00 H new ATOM 0 HA CYS A 24 2.145 3.783 1.188 1.00 0.00 H new ATOM 0 HB2 CYS A 24 1.563 4.391 -1.733 1.00 0.00 H new ATOM 0 HB3 CYS A 24 0.392 3.941 -0.509 1.00 0.00 H new ATOM 317 N TYR A 25 2.436 1.419 0.579 1.00 0.00 N ATOM 318 CA TYR A 25 2.593 0.018 0.274 1.00 0.00 C ATOM 319 C TYR A 25 1.299 -0.597 -0.255 1.00 0.00 C ATOM 320 O TYR A 25 0.211 -0.052 -0.067 1.00 0.00 O ATOM 321 CB TYR A 25 3.057 -0.736 1.522 1.00 0.00 C ATOM 322 CG TYR A 25 1.985 -0.896 2.580 1.00 0.00 C ATOM 323 CD1 TYR A 25 1.690 0.140 3.456 1.00 0.00 C ATOM 324 CD2 TYR A 25 1.271 -2.085 2.703 1.00 0.00 C ATOM 325 CE1 TYR A 25 0.714 0.000 4.424 1.00 0.00 C ATOM 326 CE2 TYR A 25 0.294 -2.231 3.669 1.00 0.00 C ATOM 327 CZ TYR A 25 0.020 -1.186 4.527 1.00 0.00 C ATOM 328 OH TYR A 25 -0.953 -1.328 5.490 1.00 0.00 O ATOM 0 H TYR A 25 2.176 1.610 1.547 1.00 0.00 H new ATOM 0 HA TYR A 25 3.345 -0.069 -0.510 1.00 0.00 H new ATOM 0 HB2 TYR A 25 3.411 -1.723 1.226 1.00 0.00 H new ATOM 0 HB3 TYR A 25 3.907 -0.210 1.957 1.00 0.00 H new ATOM 0 HD1 TYR A 25 2.232 1.071 3.380 1.00 0.00 H new ATOM 0 HD2 TYR A 25 1.484 -2.905 2.033 1.00 0.00 H new ATOM 0 HE1 TYR A 25 0.496 0.816 5.097 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -0.253 -3.159 3.752 1.00 0.00 H new ATOM 0 HH TYR A 25 -1.810 -1.008 5.139 1.00 0.00 H new ATOM 338 N LYS A 26 1.438 -1.749 -0.899 1.00 0.00 N ATOM 339 CA LYS A 26 0.303 -2.478 -1.449 1.00 0.00 C ATOM 340 C LYS A 26 0.555 -3.974 -1.319 1.00 0.00 C ATOM 341 O LYS A 26 1.281 -4.559 -2.123 1.00 0.00 O ATOM 342 CB LYS A 26 0.079 -2.103 -2.916 1.00 0.00 C ATOM 343 CG LYS A 26 -1.068 -2.860 -3.569 1.00 0.00 C ATOM 344 CD LYS A 26 -1.599 -2.127 -4.792 1.00 0.00 C ATOM 345 CE LYS A 26 -1.252 -2.859 -6.080 1.00 0.00 C ATOM 346 NZ LYS A 26 -2.417 -2.941 -7.004 1.00 0.00 N ATOM 0 H LYS A 26 2.338 -2.203 -1.054 1.00 0.00 H new ATOM 0 HA LYS A 26 -0.595 -2.211 -0.892 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -0.118 -1.033 -2.983 1.00 0.00 H new ATOM 0 HB3 LYS A 26 0.995 -2.294 -3.475 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -0.730 -3.855 -3.859 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -1.873 -2.995 -2.847 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -2.681 -2.023 -4.713 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -1.183 -1.120 -4.822 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -0.429 -2.347 -6.578 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -0.905 -3.865 -5.844 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -2.139 -3.447 -7.869 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -3.194 -3.452 -6.539 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -2.733 -1.981 -7.250 1.00 0.00 H new ATOM 360 N LYS A 27 -0.022 -4.584 -0.291 1.00 0.00 N ATOM 361 CA LYS A 27 0.174 -6.007 -0.050 1.00 0.00 C ATOM 362 C LYS A 27 -1.032 -6.826 -0.494 1.00 0.00 C ATOM 363 O LYS A 27 -2.153 -6.599 -0.041 1.00 0.00 O ATOM 364 CB LYS A 27 0.467 -6.257 1.433 1.00 0.00 C ATOM 365 CG LYS A 27 -0.243 -5.303 2.381 1.00 0.00 C ATOM 366 CD LYS A 27 0.069 -5.627 3.835 1.00 0.00 C ATOM 367 CE LYS A 27 -1.198 -5.730 4.670 1.00 0.00 C ATOM 368 NZ LYS A 27 -0.935 -6.332 6.006 1.00 0.00 N ATOM 0 H LYS A 27 -0.626 -4.118 0.386 1.00 0.00 H new ATOM 0 HA LYS A 27 1.029 -6.329 -0.645 1.00 0.00 H new ATOM 0 HB2 LYS A 27 0.179 -7.279 1.681 1.00 0.00 H new ATOM 0 HB3 LYS A 27 1.542 -6.180 1.597 1.00 0.00 H new ATOM 0 HG2 LYS A 27 0.059 -4.279 2.162 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -1.319 -5.359 2.217 1.00 0.00 H new ATOM 0 HD2 LYS A 27 0.618 -6.567 3.889 1.00 0.00 H new ATOM 0 HD3 LYS A 27 0.717 -4.855 4.250 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -1.630 -4.738 4.798 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -1.935 -6.333 4.139 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -1.823 -6.385 6.544 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -0.546 -7.289 5.885 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -0.251 -5.743 6.523 1.00 0.00 H new ATOM 382 N GLU A 28 -0.787 -7.786 -1.383 1.00 0.00 N ATOM 383 CA GLU A 28 -1.839 -8.652 -1.896 1.00 0.00 C ATOM 384 C GLU A 28 -1.503 -10.117 -1.631 1.00 0.00 C ATOM 385 O GLU A 28 -0.422 -10.588 -1.987 1.00 0.00 O ATOM 386 CB GLU A 28 -2.033 -8.425 -3.399 1.00 0.00 C ATOM 387 CG GLU A 28 -0.805 -7.869 -4.105 1.00 0.00 C ATOM 388 CD GLU A 28 -0.819 -8.138 -5.598 1.00 0.00 C ATOM 389 OE1 GLU A 28 -1.605 -7.481 -6.312 1.00 0.00 O ATOM 390 OE2 GLU A 28 -0.043 -9.005 -6.052 1.00 0.00 O ATOM 0 H GLU A 28 0.139 -7.982 -1.764 1.00 0.00 H new ATOM 0 HA GLU A 28 -2.766 -8.405 -1.379 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -2.311 -9.370 -3.866 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -2.867 -7.739 -3.548 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -0.748 -6.794 -3.934 1.00 0.00 H new ATOM 0 HG3 GLU A 28 0.091 -8.310 -3.668 1.00 0.00 H new ATOM 397 N TRP A 29 -2.435 -10.832 -1.009 1.00 0.00 N ATOM 398 CA TRP A 29 -2.237 -12.244 -0.698 1.00 0.00 C ATOM 399 C TRP A 29 -3.432 -13.072 -1.155 1.00 0.00 C ATOM 400 O TRP A 29 -4.563 -12.832 -0.734 1.00 0.00 O ATOM 401 CB TRP A 29 -2.015 -12.441 0.805 1.00 0.00 C ATOM 402 CG TRP A 29 -3.178 -12.022 1.645 1.00 0.00 C ATOM 403 CD1 TRP A 29 -3.979 -12.843 2.367 1.00 0.00 C ATOM 404 CD2 TRP A 29 -3.660 -10.690 1.861 1.00 0.00 C ATOM 405 NE1 TRP A 29 -4.945 -12.113 3.017 1.00 0.00 N ATOM 406 CE2 TRP A 29 -4.770 -10.787 2.722 1.00 0.00 C ATOM 407 CE3 TRP A 29 -3.268 -9.427 1.408 1.00 0.00 C ATOM 408 CZ2 TRP A 29 -5.489 -9.669 3.140 1.00 0.00 C ATOM 409 CZ3 TRP A 29 -3.981 -8.319 1.823 1.00 0.00 C ATOM 410 CH2 TRP A 29 -5.081 -8.446 2.681 1.00 0.00 C ATOM 0 H TRP A 29 -3.335 -10.457 -0.710 1.00 0.00 H new ATOM 0 HA TRP A 29 -1.350 -12.582 -1.234 1.00 0.00 H new ATOM 0 HB2 TRP A 29 -1.800 -13.492 0.997 1.00 0.00 H new ATOM 0 HB3 TRP A 29 -1.135 -11.875 1.110 1.00 0.00 H new ATOM 0 HD1 TRP A 29 -3.873 -13.916 2.423 1.00 0.00 H new ATOM 0 HE1 TRP A 29 -5.673 -12.496 3.620 1.00 0.00 H new ATOM 0 HE3 TRP A 29 -2.422 -9.319 0.745 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 -6.337 -9.764 3.802 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 -3.685 -7.338 1.480 1.00 0.00 H new ATOM 0 HH2 TRP A 29 -5.618 -7.560 2.987 1.00 0.00 H new ATOM 421 N ARG A 30 -3.175 -14.048 -2.021 1.00 0.00 N ATOM 422 CA ARG A 30 -4.228 -14.909 -2.535 1.00 0.00 C ATOM 423 C ARG A 30 -4.365 -16.168 -1.688 1.00 0.00 C ATOM 424 O ARG A 30 -3.521 -16.454 -0.838 1.00 0.00 O ATOM 425 CB ARG A 30 -3.940 -15.286 -3.987 1.00 0.00 C ATOM 426 CG ARG A 30 -2.489 -15.660 -4.249 1.00 0.00 C ATOM 427 CD ARG A 30 -2.379 -16.850 -5.189 1.00 0.00 C ATOM 428 NE ARG A 30 -1.366 -16.642 -6.221 1.00 0.00 N ATOM 429 CZ ARG A 30 -0.063 -16.542 -5.972 1.00 0.00 C ATOM 430 NH1 ARG A 30 0.391 -16.632 -4.727 1.00 0.00 N ATOM 431 NH2 ARG A 30 0.790 -16.353 -6.969 1.00 0.00 N ATOM 0 H ARG A 30 -2.244 -14.260 -2.380 1.00 0.00 H new ATOM 0 HA ARG A 30 -5.168 -14.359 -2.488 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -4.578 -16.124 -4.268 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -4.211 -14.449 -4.630 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -1.964 -14.807 -4.679 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -1.997 -15.894 -3.305 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -2.133 -17.744 -4.615 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -3.345 -17.030 -5.661 1.00 0.00 H new ATOM 0 HE ARG A 30 -1.676 -16.569 -7.190 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -0.260 -16.779 -3.956 1.00 0.00 H new ATOM 0 HH12 ARG A 30 1.391 -16.555 -4.542 1.00 0.00 H new ATOM 0 HH21 ARG A 30 0.447 -16.284 -7.927 1.00 0.00 H new ATOM 0 HH22 ARG A 30 1.789 -16.276 -6.778 1.00 0.00 H new ATOM 445 N ASP A 31 -5.434 -16.920 -1.927 1.00 0.00 N ATOM 446 CA ASP A 31 -5.683 -18.153 -1.188 1.00 0.00 C ATOM 447 C ASP A 31 -5.996 -19.303 -2.140 1.00 0.00 C ATOM 448 O ASP A 31 -5.408 -20.380 -2.043 1.00 0.00 O ATOM 449 CB ASP A 31 -6.839 -17.960 -0.204 1.00 0.00 C ATOM 450 CG ASP A 31 -8.051 -17.322 -0.855 1.00 0.00 C ATOM 451 OD1 ASP A 31 -8.826 -18.051 -1.509 1.00 0.00 O ATOM 452 OD2 ASP A 31 -8.224 -16.093 -0.712 1.00 0.00 O ATOM 0 H ASP A 31 -6.142 -16.698 -2.627 1.00 0.00 H new ATOM 0 HA ASP A 31 -4.780 -18.401 -0.631 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -7.121 -18.926 0.215 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -6.506 -17.337 0.626 1.00 0.00 H new ATOM 457 N ASN A 32 -6.926 -19.065 -3.060 1.00 0.00 N ATOM 458 CA ASN A 32 -7.320 -20.079 -4.033 1.00 0.00 C ATOM 459 C ASN A 32 -8.403 -19.546 -4.963 1.00 0.00 C ATOM 460 O ASN A 32 -8.146 -19.255 -6.131 1.00 0.00 O ATOM 461 CB ASN A 32 -7.814 -21.341 -3.319 1.00 0.00 C ATOM 462 CG ASN A 32 -7.146 -22.598 -3.840 1.00 0.00 C ATOM 463 OD1 ASN A 32 -6.086 -22.997 -3.357 1.00 0.00 O ATOM 464 ND2 ASN A 32 -7.763 -23.229 -4.832 1.00 0.00 N ATOM 0 H ASN A 32 -7.421 -18.178 -3.152 1.00 0.00 H new ATOM 0 HA ASN A 32 -6.445 -20.332 -4.632 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -7.624 -21.248 -2.250 1.00 0.00 H new ATOM 0 HB3 ASN A 32 -8.893 -21.427 -3.445 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -7.360 -24.080 -5.224 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -8.640 -22.863 -5.202 1.00 0.00 H new ATOM 471 N ARG A 33 -9.618 -19.419 -4.439 1.00 0.00 N ATOM 472 CA ARG A 33 -10.741 -18.923 -5.218 1.00 0.00 C ATOM 473 C ARG A 33 -10.671 -17.408 -5.374 1.00 0.00 C ATOM 474 O ARG A 33 -11.106 -16.858 -6.387 1.00 0.00 O ATOM 475 CB ARG A 33 -12.057 -19.319 -4.551 1.00 0.00 C ATOM 476 CG ARG A 33 -12.098 -19.008 -3.065 1.00 0.00 C ATOM 477 CD ARG A 33 -12.262 -20.270 -2.231 1.00 0.00 C ATOM 478 NE ARG A 33 -11.372 -20.280 -1.073 1.00 0.00 N ATOM 479 CZ ARG A 33 -11.546 -21.062 -0.009 1.00 0.00 C ATOM 480 NH1 ARG A 33 -12.577 -21.896 0.046 1.00 0.00 N ATOM 481 NH2 ARG A 33 -10.689 -21.008 1.000 1.00 0.00 N ATOM 0 H ARG A 33 -9.848 -19.655 -3.474 1.00 0.00 H new ATOM 0 HA ARG A 33 -10.692 -19.372 -6.210 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -12.877 -18.799 -5.046 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -12.222 -20.387 -4.696 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -11.180 -18.496 -2.775 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -12.922 -18.325 -2.859 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -13.296 -20.350 -1.895 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -12.060 -21.143 -2.851 1.00 0.00 H new ATOM 0 HE ARG A 33 -10.569 -19.651 -1.080 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -13.239 -21.940 -0.728 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -12.707 -22.493 0.863 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -9.896 -20.368 0.962 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -10.822 -21.607 1.815 1.00 0.00 H new ATOM 495 N GLY A 34 -10.125 -16.737 -4.366 1.00 0.00 N ATOM 496 CA GLY A 34 -10.012 -15.290 -4.413 1.00 0.00 C ATOM 497 C GLY A 34 -8.745 -14.782 -3.753 1.00 0.00 C ATOM 498 O GLY A 34 -7.852 -15.564 -3.421 1.00 0.00 O ATOM 0 H GLY A 34 -9.759 -17.168 -3.517 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -10.033 -14.961 -5.452 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -10.877 -14.846 -3.921 1.00 0.00 H new ATOM 502 N TYR A 35 -8.667 -13.469 -3.564 1.00 0.00 N ATOM 503 CA TYR A 35 -7.502 -12.853 -2.940 1.00 0.00 C ATOM 504 C TYR A 35 -7.846 -11.474 -2.385 1.00 0.00 C ATOM 505 O TYR A 35 -8.859 -10.881 -2.754 1.00 0.00 O ATOM 506 CB TYR A 35 -6.360 -12.737 -3.951 1.00 0.00 C ATOM 507 CG TYR A 35 -6.774 -12.121 -5.268 1.00 0.00 C ATOM 508 CD1 TYR A 35 -7.342 -12.896 -6.271 1.00 0.00 C ATOM 509 CD2 TYR A 35 -6.597 -10.764 -5.509 1.00 0.00 C ATOM 510 CE1 TYR A 35 -7.722 -12.339 -7.476 1.00 0.00 C ATOM 511 CE2 TYR A 35 -6.974 -10.198 -6.712 1.00 0.00 C ATOM 512 CZ TYR A 35 -7.536 -10.989 -7.692 1.00 0.00 C ATOM 513 OH TYR A 35 -7.912 -10.430 -8.891 1.00 0.00 O ATOM 0 H TYR A 35 -9.398 -12.811 -3.834 1.00 0.00 H new ATOM 0 HA TYR A 35 -7.185 -13.488 -2.113 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -5.560 -12.138 -3.515 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -5.949 -13.729 -4.137 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -7.489 -13.953 -6.105 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -6.158 -10.141 -4.744 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -8.162 -12.956 -8.245 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -6.829 -9.142 -6.884 1.00 0.00 H new ATOM 0 HH TYR A 35 -7.714 -9.470 -8.881 1.00 0.00 H new ATOM 523 N ARG A 36 -6.995 -10.970 -1.497 1.00 0.00 N ATOM 524 CA ARG A 36 -7.209 -9.660 -0.892 1.00 0.00 C ATOM 525 C ARG A 36 -6.002 -8.755 -1.116 1.00 0.00 C ATOM 526 O ARG A 36 -4.919 -9.222 -1.469 1.00 0.00 O ATOM 527 CB ARG A 36 -7.484 -9.807 0.607 1.00 0.00 C ATOM 528 CG ARG A 36 -8.957 -9.702 0.967 1.00 0.00 C ATOM 529 CD ARG A 36 -9.393 -10.836 1.882 1.00 0.00 C ATOM 530 NE ARG A 36 -10.706 -10.589 2.475 1.00 0.00 N ATOM 531 CZ ARG A 36 -11.458 -11.536 3.030 1.00 0.00 C ATOM 532 NH1 ARG A 36 -11.034 -12.793 3.070 1.00 0.00 N ATOM 533 NH2 ARG A 36 -12.639 -11.225 3.547 1.00 0.00 N ATOM 0 H ARG A 36 -6.151 -11.448 -1.181 1.00 0.00 H new ATOM 0 HA ARG A 36 -8.076 -9.202 -1.369 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -7.103 -10.771 0.945 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -6.931 -9.039 1.147 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -9.145 -8.746 1.456 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -9.556 -9.717 0.057 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -9.420 -11.768 1.317 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -8.656 -10.966 2.675 1.00 0.00 H new ATOM 0 HE ARG A 36 -11.067 -9.635 2.463 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -10.127 -13.038 2.674 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -11.616 -13.514 3.497 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -12.970 -10.261 3.519 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -13.216 -11.950 3.973 1.00 0.00 H new ATOM 547 N THR A 37 -6.197 -7.456 -0.911 1.00 0.00 N ATOM 548 CA THR A 37 -5.124 -6.484 -1.092 1.00 0.00 C ATOM 549 C THR A 37 -5.434 -5.188 -0.348 1.00 0.00 C ATOM 550 O THR A 37 -6.429 -4.524 -0.631 1.00 0.00 O ATOM 551 CB THR A 37 -4.922 -6.193 -2.579 1.00 0.00 C ATOM 552 OG1 THR A 37 -3.853 -5.284 -2.772 1.00 0.00 O ATOM 553 CG2 THR A 37 -6.148 -5.608 -3.246 1.00 0.00 C ATOM 0 H THR A 37 -7.087 -7.052 -0.620 1.00 0.00 H new ATOM 0 HA THR A 37 -4.208 -6.908 -0.682 1.00 0.00 H new ATOM 0 HB THR A 37 -4.706 -7.159 -3.035 1.00 0.00 H new ATOM 0 HG1 THR A 37 -3.739 -5.112 -3.730 1.00 0.00 H new ATOM 0 HG21 THR A 37 -5.937 -5.425 -4.300 1.00 0.00 H new ATOM 0 HG22 THR A 37 -6.979 -6.308 -3.159 1.00 0.00 H new ATOM 0 HG23 THR A 37 -6.413 -4.669 -2.761 1.00 0.00 H new ATOM 561 N GLU A 38 -4.575 -4.834 0.606 1.00 0.00 N ATOM 562 CA GLU A 38 -4.764 -3.618 1.387 1.00 0.00 C ATOM 563 C GLU A 38 -3.639 -2.622 1.126 1.00 0.00 C ATOM 564 O GLU A 38 -2.521 -3.004 0.767 1.00 0.00 O ATOM 565 CB GLU A 38 -4.834 -3.944 2.881 1.00 0.00 C ATOM 566 CG GLU A 38 -4.089 -5.209 3.277 1.00 0.00 C ATOM 567 CD GLU A 38 -4.312 -5.588 4.728 1.00 0.00 C ATOM 568 OE1 GLU A 38 -3.698 -4.950 5.609 1.00 0.00 O ATOM 569 OE2 GLU A 38 -5.101 -6.522 4.983 1.00 0.00 O ATOM 0 H GLU A 38 -3.745 -5.371 0.855 1.00 0.00 H new ATOM 0 HA GLU A 38 -5.707 -3.166 1.078 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -4.427 -3.104 3.444 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -5.880 -4.045 3.171 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -4.411 -6.031 2.637 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -3.022 -5.068 3.102 1.00 0.00 H new ATOM 576 N ARG A 39 -3.944 -1.341 1.309 1.00 0.00 N ATOM 577 CA ARG A 39 -2.969 -0.279 1.097 1.00 0.00 C ATOM 578 C ARG A 39 -2.535 0.328 2.428 1.00 0.00 C ATOM 579 O ARG A 39 -2.778 -0.243 3.491 1.00 0.00 O ATOM 580 CB ARG A 39 -3.555 0.810 0.193 1.00 0.00 C ATOM 581 CG ARG A 39 -4.379 0.269 -0.966 1.00 0.00 C ATOM 582 CD ARG A 39 -3.500 -0.131 -2.138 1.00 0.00 C ATOM 583 NE ARG A 39 -4.048 -1.266 -2.875 1.00 0.00 N ATOM 584 CZ ARG A 39 -5.025 -1.166 -3.773 1.00 0.00 C ATOM 585 NH1 ARG A 39 -5.568 0.015 -4.045 1.00 0.00 N ATOM 586 NH2 ARG A 39 -5.461 -2.249 -4.402 1.00 0.00 N ATOM 0 H ARG A 39 -4.863 -1.013 1.605 1.00 0.00 H new ATOM 0 HA ARG A 39 -2.095 -0.712 0.610 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -4.180 1.470 0.794 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -2.741 1.416 -0.204 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -4.956 -0.594 -0.632 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -5.095 1.025 -1.289 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -3.388 0.718 -2.812 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -2.504 -0.383 -1.774 1.00 0.00 H new ATOM 0 HE ARG A 39 -3.659 -2.191 -2.691 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -5.236 0.852 -3.565 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -6.317 0.086 -4.734 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -5.048 -3.159 -4.197 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -6.210 -2.172 -5.090 1.00 0.00 H new ATOM 600 N GLY A 40 -1.892 1.490 2.365 1.00 0.00 N ATOM 601 CA GLY A 40 -1.438 2.153 3.575 1.00 0.00 C ATOM 602 C GLY A 40 -0.112 2.862 3.384 1.00 0.00 C ATOM 603 O GLY A 40 0.430 2.892 2.279 1.00 0.00 O ATOM 0 H GLY A 40 -1.677 1.984 1.499 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -2.190 2.875 3.894 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -1.342 1.418 4.374 1.00 0.00 H new ATOM 607 N CYS A 41 0.412 3.435 4.464 1.00 0.00 N ATOM 608 CA CYS A 41 1.683 4.148 4.411 1.00 0.00 C ATOM 609 C CYS A 41 2.812 3.291 4.974 1.00 0.00 C ATOM 610 O CYS A 41 2.617 2.539 5.929 1.00 0.00 O ATOM 611 CB CYS A 41 1.586 5.462 5.190 1.00 0.00 C ATOM 612 SG CYS A 41 1.273 6.923 4.147 1.00 0.00 S ATOM 0 H CYS A 41 -0.024 3.419 5.386 1.00 0.00 H new ATOM 0 HA CYS A 41 1.905 4.368 3.367 1.00 0.00 H new ATOM 0 HB2 CYS A 41 0.787 5.377 5.927 1.00 0.00 H new ATOM 0 HB3 CYS A 41 2.514 5.614 5.741 1.00 0.00 H new ATOM 617 N GLY A 42 3.993 3.409 4.375 1.00 0.00 N ATOM 618 CA GLY A 42 5.136 2.640 4.831 1.00 0.00 C ATOM 619 C GLY A 42 5.557 1.580 3.831 1.00 0.00 C ATOM 620 O GLY A 42 5.064 1.549 2.704 1.00 0.00 O ATOM 0 H GLY A 42 4.179 4.023 3.582 1.00 0.00 H new ATOM 0 HA2 GLY A 42 5.973 3.313 5.016 1.00 0.00 H new ATOM 0 HA3 GLY A 42 4.894 2.163 5.781 1.00 0.00 H new ATOM 624 N CYS A 43 6.473 0.711 4.247 1.00 0.00 N ATOM 625 CA CYS A 43 6.962 -0.356 3.381 1.00 0.00 C ATOM 626 C CYS A 43 7.377 -1.576 4.202 1.00 0.00 C ATOM 627 O CYS A 43 8.516 -2.038 4.113 1.00 0.00 O ATOM 628 CB CYS A 43 8.142 0.139 2.542 1.00 0.00 C ATOM 629 SG CYS A 43 8.401 -0.796 1.000 1.00 0.00 S ATOM 0 H CYS A 43 6.891 0.725 5.177 1.00 0.00 H new ATOM 0 HA CYS A 43 6.152 -0.650 2.714 1.00 0.00 H new ATOM 0 HB2 CYS A 43 7.984 1.189 2.296 1.00 0.00 H new ATOM 0 HB3 CYS A 43 9.049 0.086 3.143 1.00 0.00 H new ATOM 634 N PRO A 44 6.455 -2.114 5.018 1.00 0.00 N ATOM 635 CA PRO A 44 6.730 -3.285 5.857 1.00 0.00 C ATOM 636 C PRO A 44 6.903 -4.558 5.036 1.00 0.00 C ATOM 637 O PRO A 44 6.425 -4.649 3.905 1.00 0.00 O ATOM 638 CB PRO A 44 5.488 -3.386 6.746 1.00 0.00 C ATOM 639 CG PRO A 44 4.407 -2.726 5.964 1.00 0.00 C ATOM 640 CD PRO A 44 5.073 -1.626 5.186 1.00 0.00 C ATOM 0 HA PRO A 44 7.661 -3.177 6.414 1.00 0.00 H new ATOM 0 HB2 PRO A 44 5.241 -4.425 6.964 1.00 0.00 H new ATOM 0 HB3 PRO A 44 5.645 -2.888 7.703 1.00 0.00 H new ATOM 0 HG2 PRO A 44 3.919 -3.436 5.296 1.00 0.00 H new ATOM 0 HG3 PRO A 44 3.636 -2.327 6.623 1.00 0.00 H new ATOM 0 HD2 PRO A 44 4.585 -1.462 4.225 1.00 0.00 H new ATOM 0 HD3 PRO A 44 5.044 -0.679 5.724 1.00 0.00 H new ATOM 648 N SER A 45 7.587 -5.540 5.613 1.00 0.00 N ATOM 649 CA SER A 45 7.822 -6.810 4.935 1.00 0.00 C ATOM 650 C SER A 45 8.529 -7.797 5.857 1.00 0.00 C ATOM 651 O SER A 45 9.744 -7.726 6.045 1.00 0.00 O ATOM 652 CB SER A 45 8.654 -6.589 3.670 1.00 0.00 C ATOM 653 OG SER A 45 9.478 -5.443 3.795 1.00 0.00 O ATOM 0 H SER A 45 7.989 -5.481 6.549 1.00 0.00 H new ATOM 0 HA SER A 45 6.855 -7.230 4.658 1.00 0.00 H new ATOM 0 HB2 SER A 45 9.272 -7.466 3.480 1.00 0.00 H new ATOM 0 HB3 SER A 45 7.992 -6.473 2.812 1.00 0.00 H new ATOM 0 HG SER A 45 10.000 -5.325 2.974 1.00 0.00 H new ATOM 659 N VAL A 46 7.761 -8.717 6.432 1.00 0.00 N ATOM 660 CA VAL A 46 8.315 -9.720 7.336 1.00 0.00 C ATOM 661 C VAL A 46 7.810 -11.111 7.011 1.00 0.00 C ATOM 662 O VAL A 46 7.907 -12.039 7.813 1.00 0.00 O ATOM 663 CB VAL A 46 7.963 -9.417 8.777 1.00 0.00 C ATOM 664 CG1 VAL A 46 8.779 -10.278 9.729 1.00 0.00 C ATOM 665 CG2 VAL A 46 8.132 -7.937 9.087 1.00 0.00 C ATOM 0 H VAL A 46 6.754 -8.789 6.288 1.00 0.00 H new ATOM 0 HA VAL A 46 9.396 -9.685 7.201 1.00 0.00 H new ATOM 0 HB VAL A 46 6.911 -9.664 8.923 1.00 0.00 H new ATOM 0 HG11 VAL A 46 8.507 -10.041 10.758 1.00 0.00 H new ATOM 0 HG12 VAL A 46 8.575 -11.331 9.533 1.00 0.00 H new ATOM 0 HG13 VAL A 46 9.840 -10.080 9.579 1.00 0.00 H new ATOM 0 HG21 VAL A 46 7.872 -7.751 10.129 1.00 0.00 H new ATOM 0 HG22 VAL A 46 9.168 -7.645 8.914 1.00 0.00 H new ATOM 0 HG23 VAL A 46 7.478 -7.353 8.440 1.00 0.00 H new ATOM 675 N LYS A 47 7.278 -11.226 5.828 1.00 0.00 N ATOM 676 CA LYS A 47 6.735 -12.485 5.331 1.00 0.00 C ATOM 677 C LYS A 47 6.842 -12.560 3.811 1.00 0.00 C ATOM 678 O LYS A 47 6.342 -11.689 3.100 1.00 0.00 O ATOM 679 CB LYS A 47 5.275 -12.639 5.760 1.00 0.00 C ATOM 680 CG LYS A 47 4.415 -11.427 5.439 1.00 0.00 C ATOM 681 CD LYS A 47 3.475 -11.091 6.585 1.00 0.00 C ATOM 682 CE LYS A 47 2.838 -9.723 6.399 1.00 0.00 C ATOM 683 NZ LYS A 47 3.736 -8.626 6.857 1.00 0.00 N ATOM 0 H LYS A 47 7.202 -10.452 5.168 1.00 0.00 H new ATOM 0 HA LYS A 47 7.320 -13.299 5.759 1.00 0.00 H new ATOM 0 HB2 LYS A 47 4.851 -13.515 5.269 1.00 0.00 H new ATOM 0 HB3 LYS A 47 5.238 -12.826 6.833 1.00 0.00 H new ATOM 0 HG2 LYS A 47 5.056 -10.570 5.230 1.00 0.00 H new ATOM 0 HG3 LYS A 47 3.835 -11.620 4.536 1.00 0.00 H new ATOM 0 HD2 LYS A 47 2.696 -11.850 6.653 1.00 0.00 H new ATOM 0 HD3 LYS A 47 4.024 -11.113 7.526 1.00 0.00 H new ATOM 0 HE2 LYS A 47 2.593 -9.576 5.347 1.00 0.00 H new ATOM 0 HE3 LYS A 47 1.901 -9.680 6.954 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 3.266 -7.710 6.714 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 3.950 -8.751 7.867 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 4.620 -8.650 6.310 1.00 0.00 H new ATOM 697 N LYS A 48 7.497 -13.607 3.319 1.00 0.00 N ATOM 698 CA LYS A 48 7.668 -13.795 1.883 1.00 0.00 C ATOM 699 C LYS A 48 6.458 -14.499 1.279 1.00 0.00 C ATOM 700 O LYS A 48 5.517 -14.857 1.988 1.00 0.00 O ATOM 701 CB LYS A 48 8.938 -14.602 1.600 1.00 0.00 C ATOM 702 CG LYS A 48 10.216 -13.791 1.737 1.00 0.00 C ATOM 703 CD LYS A 48 11.345 -14.389 0.915 1.00 0.00 C ATOM 704 CE LYS A 48 12.266 -13.311 0.366 1.00 0.00 C ATOM 705 NZ LYS A 48 13.680 -13.773 0.292 1.00 0.00 N ATOM 0 H LYS A 48 7.918 -14.338 3.893 1.00 0.00 H new ATOM 0 HA LYS A 48 7.761 -12.812 1.421 1.00 0.00 H new ATOM 0 HB2 LYS A 48 8.980 -15.450 2.284 1.00 0.00 H new ATOM 0 HB3 LYS A 48 8.882 -15.010 0.591 1.00 0.00 H new ATOM 0 HG2 LYS A 48 10.034 -12.766 1.415 1.00 0.00 H new ATOM 0 HG3 LYS A 48 10.511 -13.749 2.786 1.00 0.00 H new ATOM 0 HD2 LYS A 48 11.919 -15.080 1.532 1.00 0.00 H new ATOM 0 HD3 LYS A 48 10.929 -14.968 0.091 1.00 0.00 H new ATOM 0 HE2 LYS A 48 11.928 -13.016 -0.627 1.00 0.00 H new ATOM 0 HE3 LYS A 48 12.206 -12.426 0.999 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 14.275 -13.009 -0.087 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 14.011 -14.030 1.244 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 13.742 -14.603 -0.332 1.00 0.00 H new ATOM 719 N GLY A 49 6.488 -14.692 -0.037 1.00 0.00 N ATOM 720 CA GLY A 49 5.387 -15.351 -0.715 1.00 0.00 C ATOM 721 C GLY A 49 4.333 -14.371 -1.191 1.00 0.00 C ATOM 722 O GLY A 49 3.923 -14.405 -2.351 1.00 0.00 O ATOM 0 H GLY A 49 7.255 -14.404 -0.645 1.00 0.00 H new ATOM 0 HA2 GLY A 49 5.771 -15.910 -1.568 1.00 0.00 H new ATOM 0 HA3 GLY A 49 4.929 -16.074 -0.040 1.00 0.00 H new ATOM 726 N ILE A 50 3.897 -13.494 -0.293 1.00 0.00 N ATOM 727 CA ILE A 50 2.886 -12.498 -0.623 1.00 0.00 C ATOM 728 C ILE A 50 3.496 -11.340 -1.407 1.00 0.00 C ATOM 729 O ILE A 50 4.681 -11.036 -1.262 1.00 0.00 O ATOM 730 CB ILE A 50 2.211 -11.947 0.647 1.00 0.00 C ATOM 731 CG1 ILE A 50 1.759 -13.101 1.548 1.00 0.00 C ATOM 732 CG2 ILE A 50 1.033 -11.057 0.279 1.00 0.00 C ATOM 733 CD1 ILE A 50 0.907 -12.662 2.721 1.00 0.00 C ATOM 0 H ILE A 50 4.229 -13.453 0.671 1.00 0.00 H new ATOM 0 HA ILE A 50 2.135 -12.994 -1.238 1.00 0.00 H new ATOM 0 HB ILE A 50 2.934 -11.344 1.196 1.00 0.00 H new ATOM 0 HG12 ILE A 50 1.196 -13.818 0.950 1.00 0.00 H new ATOM 0 HG13 ILE A 50 2.639 -13.622 1.925 1.00 0.00 H new ATOM 0 HG21 ILE A 50 0.567 -10.676 1.188 1.00 0.00 H new ATOM 0 HG22 ILE A 50 1.384 -10.222 -0.327 1.00 0.00 H new ATOM 0 HG23 ILE A 50 0.303 -11.635 -0.288 1.00 0.00 H new ATOM 0 HD11 ILE A 50 0.626 -13.533 3.313 1.00 0.00 H new ATOM 0 HD12 ILE A 50 1.473 -11.969 3.343 1.00 0.00 H new ATOM 0 HD13 ILE A 50 0.008 -12.168 2.353 1.00 0.00 H new ATOM 745 N GLY A 51 2.682 -10.695 -2.238 1.00 0.00 N ATOM 746 CA GLY A 51 3.165 -9.579 -3.029 1.00 0.00 C ATOM 747 C GLY A 51 3.053 -8.261 -2.290 1.00 0.00 C ATOM 748 O GLY A 51 2.046 -7.995 -1.635 1.00 0.00 O ATOM 0 H GLY A 51 1.698 -10.926 -2.377 1.00 0.00 H new ATOM 0 HA2 GLY A 51 4.206 -9.753 -3.302 1.00 0.00 H new ATOM 0 HA3 GLY A 51 2.597 -9.522 -3.958 1.00 0.00 H new ATOM 752 N ILE A 52 4.090 -7.436 -2.388 1.00 0.00 N ATOM 753 CA ILE A 52 4.098 -6.142 -1.716 1.00 0.00 C ATOM 754 C ILE A 52 4.966 -5.132 -2.462 1.00 0.00 C ATOM 755 O ILE A 52 6.158 -5.355 -2.671 1.00 0.00 O ATOM 756 CB ILE A 52 4.602 -6.268 -0.264 1.00 0.00 C ATOM 757 CG1 ILE A 52 4.489 -4.924 0.460 1.00 0.00 C ATOM 758 CG2 ILE A 52 6.038 -6.772 -0.239 1.00 0.00 C ATOM 759 CD1 ILE A 52 3.956 -5.042 1.872 1.00 0.00 C ATOM 0 H ILE A 52 4.933 -7.640 -2.925 1.00 0.00 H new ATOM 0 HA ILE A 52 3.068 -5.786 -1.707 1.00 0.00 H new ATOM 0 HB ILE A 52 3.976 -6.993 0.257 1.00 0.00 H new ATOM 0 HG12 ILE A 52 5.471 -4.452 0.489 1.00 0.00 H new ATOM 0 HG13 ILE A 52 3.836 -4.266 -0.113 1.00 0.00 H new ATOM 0 HG21 ILE A 52 6.377 -6.855 0.794 1.00 0.00 H new ATOM 0 HG22 ILE A 52 6.089 -7.750 -0.717 1.00 0.00 H new ATOM 0 HG23 ILE A 52 6.679 -6.072 -0.776 1.00 0.00 H new ATOM 0 HD11 ILE A 52 3.902 -4.052 2.325 1.00 0.00 H new ATOM 0 HD12 ILE A 52 2.960 -5.485 1.849 1.00 0.00 H new ATOM 0 HD13 ILE A 52 4.621 -5.674 2.460 1.00 0.00 H new ATOM 771 N ASN A 53 4.358 -4.017 -2.854 1.00 0.00 N ATOM 772 CA ASN A 53 5.069 -2.965 -3.570 1.00 0.00 C ATOM 773 C ASN A 53 4.892 -1.624 -2.865 1.00 0.00 C ATOM 774 O ASN A 53 3.871 -1.382 -2.223 1.00 0.00 O ATOM 775 CB ASN A 53 4.569 -2.867 -5.013 1.00 0.00 C ATOM 776 CG ASN A 53 3.074 -2.624 -5.091 1.00 0.00 C ATOM 777 OD1 ASN A 53 2.272 -3.526 -4.846 1.00 0.00 O ATOM 778 ND2 ASN A 53 2.691 -1.399 -5.435 1.00 0.00 N ATOM 0 H ASN A 53 3.371 -3.819 -2.687 1.00 0.00 H new ATOM 0 HA ASN A 53 6.129 -3.217 -3.582 1.00 0.00 H new ATOM 0 HB2 ASN A 53 5.093 -2.058 -5.522 1.00 0.00 H new ATOM 0 HB3 ASN A 53 4.813 -3.788 -5.543 1.00 0.00 H new ATOM 0 HD21 ASN A 53 1.698 -1.176 -5.505 1.00 0.00 H new ATOM 0 HD22 ASN A 53 3.390 -0.682 -5.629 1.00 0.00 H new ATOM 785 N CYS A 54 5.894 -0.758 -2.980 1.00 0.00 N ATOM 786 CA CYS A 54 5.841 0.554 -2.344 1.00 0.00 C ATOM 787 C CYS A 54 6.144 1.667 -3.342 1.00 0.00 C ATOM 788 O CYS A 54 7.074 1.564 -4.142 1.00 0.00 O ATOM 789 CB CYS A 54 6.833 0.616 -1.180 1.00 0.00 C ATOM 790 SG CYS A 54 6.603 -0.696 0.063 1.00 0.00 S ATOM 0 H CYS A 54 6.749 -0.940 -3.505 1.00 0.00 H new ATOM 0 HA CYS A 54 4.829 0.702 -1.966 1.00 0.00 H new ATOM 0 HB2 CYS A 54 7.846 0.553 -1.576 1.00 0.00 H new ATOM 0 HB3 CYS A 54 6.742 1.586 -0.690 1.00 0.00 H new ATOM 795 N CYS A 55 5.354 2.735 -3.281 1.00 0.00 N ATOM 796 CA CYS A 55 5.535 3.876 -4.170 1.00 0.00 C ATOM 797 C CYS A 55 5.829 5.138 -3.365 1.00 0.00 C ATOM 798 O CYS A 55 5.868 5.101 -2.135 1.00 0.00 O ATOM 799 CB CYS A 55 4.288 4.084 -5.032 1.00 0.00 C ATOM 800 SG CYS A 55 2.721 3.989 -4.107 1.00 0.00 S ATOM 0 H CYS A 55 4.581 2.833 -2.623 1.00 0.00 H new ATOM 0 HA CYS A 55 6.383 3.671 -4.823 1.00 0.00 H new ATOM 0 HB2 CYS A 55 4.353 5.058 -5.517 1.00 0.00 H new ATOM 0 HB3 CYS A 55 4.277 3.334 -5.823 1.00 0.00 H new ATOM 805 N THR A 56 6.038 6.252 -4.060 1.00 0.00 N ATOM 806 CA THR A 56 6.330 7.517 -3.394 1.00 0.00 C ATOM 807 C THR A 56 5.749 8.699 -4.166 1.00 0.00 C ATOM 808 O THR A 56 6.429 9.699 -4.395 1.00 0.00 O ATOM 809 CB THR A 56 7.841 7.691 -3.231 1.00 0.00 C ATOM 810 OG1 THR A 56 8.139 8.924 -2.601 1.00 0.00 O ATOM 811 CG2 THR A 56 8.593 7.652 -4.544 1.00 0.00 C ATOM 0 H THR A 56 6.011 6.305 -5.078 1.00 0.00 H new ATOM 0 HA THR A 56 5.862 7.493 -2.410 1.00 0.00 H new ATOM 0 HB THR A 56 8.165 6.848 -2.621 1.00 0.00 H new ATOM 0 HG1 THR A 56 7.689 9.652 -3.078 1.00 0.00 H new ATOM 0 HG21 THR A 56 9.659 7.781 -4.357 1.00 0.00 H new ATOM 0 HG22 THR A 56 8.424 6.692 -5.032 1.00 0.00 H new ATOM 0 HG23 THR A 56 8.238 8.455 -5.190 1.00 0.00 H new ATOM 819 N THR A 57 4.485 8.580 -4.559 1.00 0.00 N ATOM 820 CA THR A 57 3.812 9.643 -5.298 1.00 0.00 C ATOM 821 C THR A 57 2.353 9.764 -4.862 1.00 0.00 C ATOM 822 O THR A 57 1.738 8.786 -4.437 1.00 0.00 O ATOM 823 CB THR A 57 3.901 9.398 -6.814 1.00 0.00 C ATOM 824 OG1 THR A 57 2.760 9.912 -7.478 1.00 0.00 O ATOM 825 CG2 THR A 57 4.031 7.936 -7.197 1.00 0.00 C ATOM 0 H THR A 57 3.906 7.760 -4.379 1.00 0.00 H new ATOM 0 HA THR A 57 4.318 10.582 -5.073 1.00 0.00 H new ATOM 0 HB THR A 57 4.810 9.914 -7.123 1.00 0.00 H new ATOM 0 HG1 THR A 57 2.839 9.746 -8.441 1.00 0.00 H new ATOM 0 HG21 THR A 57 4.088 7.848 -8.282 1.00 0.00 H new ATOM 0 HG22 THR A 57 4.936 7.522 -6.751 1.00 0.00 H new ATOM 0 HG23 THR A 57 3.163 7.386 -6.833 1.00 0.00 H new ATOM 833 N ASP A 58 1.806 10.973 -4.963 1.00 0.00 N ATOM 834 CA ASP A 58 0.426 11.231 -4.576 1.00 0.00 C ATOM 835 C ASP A 58 -0.533 10.268 -5.271 1.00 0.00 C ATOM 836 O ASP A 58 -0.497 10.115 -6.492 1.00 0.00 O ATOM 837 CB ASP A 58 0.051 12.674 -4.911 1.00 0.00 C ATOM 838 CG ASP A 58 0.489 13.080 -6.305 1.00 0.00 C ATOM 839 OD1 ASP A 58 1.701 12.994 -6.596 1.00 0.00 O ATOM 840 OD2 ASP A 58 -0.379 13.485 -7.106 1.00 0.00 O ATOM 0 H ASP A 58 2.303 11.792 -5.312 1.00 0.00 H new ATOM 0 HA ASP A 58 0.341 11.075 -3.501 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -1.029 12.795 -4.823 1.00 0.00 H new ATOM 0 HB3 ASP A 58 0.507 13.343 -4.181 1.00 0.00 H new ATOM 845 N ARG A 59 -1.390 9.622 -4.484 1.00 0.00 N ATOM 846 CA ARG A 59 -2.359 8.671 -5.022 1.00 0.00 C ATOM 847 C ARG A 59 -1.674 7.649 -5.925 1.00 0.00 C ATOM 848 O ARG A 59 -2.116 7.396 -7.046 1.00 0.00 O ATOM 849 CB ARG A 59 -3.452 9.411 -5.797 1.00 0.00 C ATOM 850 CG ARG A 59 -4.251 10.382 -4.942 1.00 0.00 C ATOM 851 CD ARG A 59 -5.579 10.734 -5.591 1.00 0.00 C ATOM 852 NE ARG A 59 -6.375 11.633 -4.758 1.00 0.00 N ATOM 853 CZ ARG A 59 -7.669 11.871 -4.951 1.00 0.00 C ATOM 854 NH1 ARG A 59 -8.319 11.281 -5.947 1.00 0.00 N ATOM 855 NH2 ARG A 59 -8.318 12.702 -4.147 1.00 0.00 N ATOM 0 H ARG A 59 -1.433 9.740 -3.472 1.00 0.00 H new ATOM 0 HA ARG A 59 -2.815 8.139 -4.187 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -2.995 9.957 -6.622 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -4.132 8.681 -6.236 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -4.430 9.942 -3.961 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -3.671 11.291 -4.783 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -5.397 11.202 -6.558 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -6.143 9.821 -5.780 1.00 0.00 H new ATOM 0 HE ARG A 59 -5.911 12.106 -3.983 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -7.826 10.641 -6.569 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -9.312 11.468 -6.090 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -7.825 13.159 -3.380 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -9.311 12.884 -4.295 1.00 0.00 H new ATOM 869 N CYS A 60 -0.584 7.075 -5.428 1.00 0.00 N ATOM 870 CA CYS A 60 0.180 6.093 -6.176 1.00 0.00 C ATOM 871 C CYS A 60 -0.281 4.670 -5.868 1.00 0.00 C ATOM 872 O CYS A 60 0.494 3.722 -5.984 1.00 0.00 O ATOM 873 CB CYS A 60 1.657 6.245 -5.835 1.00 0.00 C ATOM 874 SG CYS A 60 2.055 5.906 -4.089 1.00 0.00 S ATOM 0 H CYS A 60 -0.210 7.278 -4.501 1.00 0.00 H new ATOM 0 HA CYS A 60 0.020 6.269 -7.240 1.00 0.00 H new ATOM 0 HB2 CYS A 60 2.236 5.571 -6.466 1.00 0.00 H new ATOM 0 HB3 CYS A 60 1.973 7.259 -6.078 1.00 0.00 H new ATOM 879 N ASN A 61 -1.542 4.524 -5.476 1.00 0.00 N ATOM 880 CA ASN A 61 -2.090 3.212 -5.156 1.00 0.00 C ATOM 881 C ASN A 61 -3.612 3.212 -5.274 1.00 0.00 C ATOM 882 O ASN A 61 -4.320 2.876 -4.324 1.00 0.00 O ATOM 883 CB ASN A 61 -1.666 2.792 -3.745 1.00 0.00 C ATOM 884 CG ASN A 61 -2.277 3.669 -2.669 1.00 0.00 C ATOM 885 OD1 ASN A 61 -2.968 4.644 -2.964 1.00 0.00 O ATOM 886 ND2 ASN A 61 -2.024 3.325 -1.411 1.00 0.00 N ATOM 0 H ASN A 61 -2.201 5.295 -5.373 1.00 0.00 H new ATOM 0 HA ASN A 61 -1.694 2.493 -5.873 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -1.959 1.756 -3.574 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -0.579 2.833 -3.669 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -2.408 3.877 -0.644 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -1.446 2.509 -1.212 1.00 0.00 H new ATOM 893 N ASN A 62 -4.108 3.593 -6.447 1.00 0.00 N ATOM 894 CA ASN A 62 -5.544 3.638 -6.693 1.00 0.00 C ATOM 895 C ASN A 62 -6.101 2.236 -6.923 1.00 0.00 C ATOM 896 O ASN A 62 -5.830 1.662 -7.999 1.00 0.00 O ATOM 897 CB ASN A 62 -5.849 4.524 -7.903 1.00 0.00 C ATOM 898 CG ASN A 62 -7.121 5.330 -7.723 1.00 0.00 C ATOM 899 OD1 ASN A 62 -7.129 6.547 -7.904 1.00 0.00 O ATOM 900 ND2 ASN A 62 -8.206 4.652 -7.366 1.00 0.00 N ATOM 901 OXT ASN A 62 -6.803 1.725 -6.026 1.00 0.00 O ATOM 0 H ASN A 62 -3.535 3.875 -7.243 1.00 0.00 H new ATOM 0 HA ASN A 62 -6.025 4.061 -5.811 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -5.013 5.203 -8.073 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -5.940 3.901 -8.793 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -9.091 5.140 -7.231 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -8.154 3.643 -7.227 1.00 0.00 H new