USER MOD reduce.3.24.130724 H: found=0, std=0, add=434, rem=0, adj=16 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 7 GLN : amide:sc= -2.91 K(o=-2.9,f=-1.7) USER MOD Set 1.2: A 8 SER OG : rot 170:sc= 0.00562 USER MOD Set 2.1: A 5 ASN : amide:sc= -0.811 K(o=-0.033,f=-6.5!) USER MOD Set 2.2: A 13 THR OG1 : rot 65:sc= 0.779 USER MOD Single : A 1 LEU N :NH3+ 134:sc= 0.00766 (180deg=0) USER MOD Single : A 4 HIS : no HE2:sc= -0.935 K(o=-0.93,f=-2.7) USER MOD Single : A 6 GLN : amide:sc= -0.643 K(o=-0.64,f=-4.4!) USER MOD Single : A 9 SER OG : rot -74:sc= 0.485 USER MOD Single : A 10 GLN : amide:sc= -0.0329 X(o=-0.033,f=-0.27) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0.0484 USER MOD Single : A 14 THR OG1 : rot 142:sc= 6.8e-05 USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 22 ASN : amide:sc= -1.96! K(o=-2!,f=-0.5) USER MOD Single : A 23 ASN : amide:sc= -1.34 K(o=-1.3,f=-0.47) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 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=-0.00739 X(o=-0.0074,f=0) USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 THR OG1 : rot -29:sc= -0.636 USER MOD Single : A 45 SER OG : rot 65:sc= 1.21 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ -155:sc= -0.12 (180deg=-0.561) USER MOD Single : A 53 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 56 THR OG1 : rot -61:sc= 1.04 USER MOD Single : A 57 THR OG1 : rot 180:sc= -1.15 USER MOD Single : A 61 ASN : amide:sc= -3.92 K(o=-3.9,f=-8.8!) USER MOD Single : A 62 ASN : amide:sc= -0.0795 X(o=-0.08,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 0.292 15.226 1.243 1.00 0.00 N ATOM 2 CA LEU A 1 0.359 13.888 0.599 1.00 0.00 C ATOM 3 C LEU A 1 -0.915 13.088 0.854 1.00 0.00 C ATOM 4 O LEU A 1 -1.485 13.141 1.944 1.00 0.00 O ATOM 5 CB LEU A 1 1.572 13.141 1.156 1.00 0.00 C ATOM 6 CG LEU A 1 1.744 11.711 0.643 1.00 0.00 C ATOM 7 CD1 LEU A 1 2.260 11.715 -0.787 1.00 0.00 C ATOM 8 CD2 LEU A 1 2.683 10.929 1.548 1.00 0.00 C ATOM 0 H1 LEU A 1 1.184 15.416 1.743 1.00 0.00 H new ATOM 0 H2 LEU A 1 0.141 15.954 0.516 1.00 0.00 H new ATOM 0 H3 LEU A 1 -0.496 15.246 1.921 1.00 0.00 H new ATOM 0 HA LEU A 1 0.456 14.014 -0.479 1.00 0.00 H new ATOM 0 HB2 LEU A 1 2.471 13.708 0.914 1.00 0.00 H new ATOM 0 HB3 LEU A 1 1.495 13.114 2.243 1.00 0.00 H new ATOM 0 HG LEU A 1 0.770 11.222 0.654 1.00 0.00 H new ATOM 0 HD11 LEU A 1 2.376 10.689 -1.135 1.00 0.00 H new ATOM 0 HD12 LEU A 1 1.550 12.237 -1.428 1.00 0.00 H new ATOM 0 HD13 LEU A 1 3.224 12.222 -0.824 1.00 0.00 H new ATOM 0 HD21 LEU A 1 2.793 9.914 1.167 1.00 0.00 H new ATOM 0 HD22 LEU A 1 3.658 11.417 1.569 1.00 0.00 H new ATOM 0 HD23 LEU A 1 2.272 10.896 2.557 1.00 0.00 H new ATOM 22 N GLU A 2 -1.357 12.349 -0.158 1.00 0.00 N ATOM 23 CA GLU A 2 -2.563 11.538 -0.043 1.00 0.00 C ATOM 24 C GLU A 2 -2.431 10.248 -0.846 1.00 0.00 C ATOM 25 O GLU A 2 -1.822 10.231 -1.917 1.00 0.00 O ATOM 26 CB GLU A 2 -3.782 12.329 -0.522 1.00 0.00 C ATOM 27 CG GLU A 2 -5.072 11.941 0.181 1.00 0.00 C ATOM 28 CD GLU A 2 -6.059 13.089 0.260 1.00 0.00 C ATOM 29 OE1 GLU A 2 -5.659 14.186 0.703 1.00 0.00 O ATOM 30 OE2 GLU A 2 -7.232 12.890 -0.121 1.00 0.00 O ATOM 0 H GLU A 2 -0.898 12.295 -1.067 1.00 0.00 H new ATOM 0 HA GLU A 2 -2.697 11.278 1.007 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -3.599 13.392 -0.367 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -3.903 12.180 -1.595 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -5.533 11.106 -0.347 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -4.843 11.594 1.188 1.00 0.00 H new ATOM 37 N CYS A 3 -3.007 9.170 -0.325 1.00 0.00 N ATOM 38 CA CYS A 3 -2.955 7.876 -0.994 1.00 0.00 C ATOM 39 C CYS A 3 -4.290 7.149 -0.879 1.00 0.00 C ATOM 40 O CYS A 3 -4.934 7.173 0.169 1.00 0.00 O ATOM 41 CB CYS A 3 -1.839 7.016 -0.401 1.00 0.00 C ATOM 42 SG CYS A 3 -0.278 7.075 -1.338 1.00 0.00 S ATOM 0 H CYS A 3 -3.516 9.167 0.559 1.00 0.00 H new ATOM 0 HA CYS A 3 -2.747 8.050 -2.050 1.00 0.00 H new ATOM 0 HB2 CYS A 3 -1.649 7.341 0.622 1.00 0.00 H new ATOM 0 HB3 CYS A 3 -2.180 5.982 -0.349 1.00 0.00 H new ATOM 47 N HIS A 4 -4.701 6.505 -1.966 1.00 0.00 N ATOM 48 CA HIS A 4 -5.955 5.773 -1.996 1.00 0.00 C ATOM 49 C HIS A 4 -5.805 4.406 -1.336 1.00 0.00 C ATOM 50 O HIS A 4 -4.940 3.616 -1.713 1.00 0.00 O ATOM 51 CB HIS A 4 -6.422 5.604 -3.441 1.00 0.00 C ATOM 52 CG HIS A 4 -6.215 6.824 -4.286 1.00 0.00 C ATOM 53 ND1 HIS A 4 -7.207 7.754 -4.522 1.00 0.00 N ATOM 54 CD2 HIS A 4 -5.123 7.267 -4.953 1.00 0.00 C ATOM 55 CE1 HIS A 4 -6.734 8.713 -5.297 1.00 0.00 C ATOM 56 NE2 HIS A 4 -5.472 8.442 -5.572 1.00 0.00 N ATOM 0 H HIS A 4 -4.178 6.477 -2.841 1.00 0.00 H new ATOM 0 HA HIS A 4 -6.698 6.343 -1.438 1.00 0.00 H new ATOM 0 HB2 HIS A 4 -5.889 4.766 -3.891 1.00 0.00 H new ATOM 0 HB3 HIS A 4 -7.481 5.346 -3.444 1.00 0.00 H new ATOM 0 HD1 HIS A 4 -8.158 7.708 -4.155 1.00 0.00 H new ATOM 0 HD2 HIS A 4 -4.157 6.786 -4.991 1.00 0.00 H new ATOM 0 HE1 HIS A 4 -7.286 9.573 -5.646 1.00 0.00 H new ATOM 65 N ASN A 5 -6.655 4.131 -0.351 1.00 0.00 N ATOM 66 CA ASN A 5 -6.615 2.857 0.356 1.00 0.00 C ATOM 67 C ASN A 5 -7.618 1.866 -0.232 1.00 0.00 C ATOM 68 O ASN A 5 -7.927 0.845 0.384 1.00 0.00 O ATOM 69 CB ASN A 5 -6.901 3.066 1.845 1.00 0.00 C ATOM 70 CG ASN A 5 -8.279 3.620 2.099 1.00 0.00 C ATOM 71 OD1 ASN A 5 -9.054 3.855 1.172 1.00 0.00 O ATOM 72 ND2 ASN A 5 -8.588 3.832 3.367 1.00 0.00 N ATOM 0 H ASN A 5 -7.378 4.772 -0.025 1.00 0.00 H new ATOM 0 HA ASN A 5 -5.614 2.441 0.238 1.00 0.00 H new ATOM 0 HB2 ASN A 5 -6.793 2.116 2.369 1.00 0.00 H new ATOM 0 HB3 ASN A 5 -6.158 3.746 2.262 1.00 0.00 H new ATOM 0 HD21 ASN A 5 -9.504 4.207 3.613 1.00 0.00 H new ATOM 0 HD22 ASN A 5 -7.910 3.621 4.099 1.00 0.00 H new ATOM 79 N GLN A 6 -8.127 2.170 -1.424 1.00 0.00 N ATOM 80 CA GLN A 6 -9.095 1.302 -2.089 1.00 0.00 C ATOM 81 C GLN A 6 -8.576 -0.128 -2.188 1.00 0.00 C ATOM 82 O GLN A 6 -7.370 -0.362 -2.263 1.00 0.00 O ATOM 83 CB GLN A 6 -9.410 1.830 -3.487 1.00 0.00 C ATOM 84 CG GLN A 6 -10.787 1.431 -3.991 1.00 0.00 C ATOM 85 CD GLN A 6 -10.732 0.336 -5.038 1.00 0.00 C ATOM 86 OE1 GLN A 6 -10.650 -0.848 -4.710 1.00 0.00 O ATOM 87 NE2 GLN A 6 -10.776 0.727 -6.305 1.00 0.00 N ATOM 0 H GLN A 6 -7.885 3.011 -1.949 1.00 0.00 H new ATOM 0 HA GLN A 6 -10.005 1.300 -1.489 1.00 0.00 H new ATOM 0 HB2 GLN A 6 -9.335 2.917 -3.481 1.00 0.00 H new ATOM 0 HB3 GLN A 6 -8.657 1.462 -4.184 1.00 0.00 H new ATOM 0 HG2 GLN A 6 -11.394 1.094 -3.150 1.00 0.00 H new ATOM 0 HG3 GLN A 6 -11.283 2.306 -4.412 1.00 0.00 H new ATOM 0 HE21 GLN A 6 -10.844 1.719 -6.530 1.00 0.00 H new ATOM 0 HE22 GLN A 6 -10.742 0.035 -7.054 1.00 0.00 H new ATOM 96 N GLN A 7 -9.501 -1.079 -2.194 1.00 0.00 N ATOM 97 CA GLN A 7 -9.155 -2.490 -2.289 1.00 0.00 C ATOM 98 C GLN A 7 -10.354 -3.307 -2.759 1.00 0.00 C ATOM 99 O GLN A 7 -11.407 -2.754 -3.077 1.00 0.00 O ATOM 100 CB GLN A 7 -8.657 -3.007 -0.939 1.00 0.00 C ATOM 101 CG GLN A 7 -9.609 -2.717 0.210 1.00 0.00 C ATOM 102 CD GLN A 7 -9.838 -3.927 1.097 1.00 0.00 C ATOM 103 OE1 GLN A 7 -9.752 -3.837 2.322 1.00 0.00 O ATOM 104 NE2 GLN A 7 -10.131 -5.066 0.481 1.00 0.00 N ATOM 0 H GLN A 7 -10.503 -0.896 -2.134 1.00 0.00 H new ATOM 0 HA GLN A 7 -8.356 -2.599 -3.022 1.00 0.00 H new ATOM 0 HB2 GLN A 7 -8.499 -4.083 -1.007 1.00 0.00 H new ATOM 0 HB3 GLN A 7 -7.689 -2.556 -0.721 1.00 0.00 H new ATOM 0 HG2 GLN A 7 -9.209 -1.901 0.811 1.00 0.00 H new ATOM 0 HG3 GLN A 7 -10.564 -2.379 -0.191 1.00 0.00 H new ATOM 0 HE21 GLN A 7 -10.192 -5.094 -0.537 1.00 0.00 H new ATOM 0 HE22 GLN A 7 -10.295 -5.913 1.026 1.00 0.00 H new ATOM 113 N SER A 8 -10.191 -4.625 -2.803 1.00 0.00 N ATOM 114 CA SER A 8 -11.263 -5.512 -3.238 1.00 0.00 C ATOM 115 C SER A 8 -12.419 -5.507 -2.241 1.00 0.00 C ATOM 116 O SER A 8 -12.208 -5.483 -1.030 1.00 0.00 O ATOM 117 CB SER A 8 -10.734 -6.937 -3.414 1.00 0.00 C ATOM 118 OG SER A 8 -9.979 -7.344 -2.286 1.00 0.00 O ATOM 0 H SER A 8 -9.328 -5.102 -2.543 1.00 0.00 H new ATOM 0 HA SER A 8 -11.634 -5.146 -4.196 1.00 0.00 H new ATOM 0 HB2 SER A 8 -11.569 -7.622 -3.563 1.00 0.00 H new ATOM 0 HB3 SER A 8 -10.114 -6.990 -4.309 1.00 0.00 H new ATOM 0 HG SER A 8 -9.789 -8.303 -2.348 1.00 0.00 H new ATOM 124 N SER A 9 -13.643 -5.532 -2.766 1.00 0.00 N ATOM 125 CA SER A 9 -14.845 -5.536 -1.935 1.00 0.00 C ATOM 126 C SER A 9 -15.041 -4.196 -1.226 1.00 0.00 C ATOM 127 O SER A 9 -16.035 -3.506 -1.451 1.00 0.00 O ATOM 128 CB SER A 9 -14.788 -6.677 -0.911 1.00 0.00 C ATOM 129 OG SER A 9 -14.137 -6.272 0.281 1.00 0.00 O ATOM 0 H SER A 9 -13.828 -5.550 -3.769 1.00 0.00 H new ATOM 0 HA SER A 9 -15.700 -5.694 -2.592 1.00 0.00 H new ATOM 0 HB2 SER A 9 -15.800 -7.010 -0.679 1.00 0.00 H new ATOM 0 HB3 SER A 9 -14.263 -7.529 -1.343 1.00 0.00 H new ATOM 0 HG SER A 9 -13.173 -6.203 0.120 1.00 0.00 H new ATOM 135 N GLN A 10 -14.093 -3.834 -0.365 1.00 0.00 N ATOM 136 CA GLN A 10 -14.172 -2.579 0.377 1.00 0.00 C ATOM 137 C GLN A 10 -14.317 -1.387 -0.567 1.00 0.00 C ATOM 138 O GLN A 10 -13.555 -1.240 -1.522 1.00 0.00 O ATOM 139 CB GLN A 10 -12.932 -2.404 1.255 1.00 0.00 C ATOM 140 CG GLN A 10 -13.139 -2.852 2.693 1.00 0.00 C ATOM 141 CD GLN A 10 -12.881 -1.743 3.694 1.00 0.00 C ATOM 142 OE1 GLN A 10 -13.260 -0.593 3.476 1.00 0.00 O ATOM 143 NE2 GLN A 10 -12.234 -2.086 4.803 1.00 0.00 N ATOM 0 H GLN A 10 -13.263 -4.391 -0.164 1.00 0.00 H new ATOM 0 HA GLN A 10 -15.057 -2.620 1.012 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -12.107 -2.970 0.822 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -12.637 -1.355 1.249 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -14.160 -3.214 2.813 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -12.476 -3.691 2.907 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -11.938 -3.052 4.943 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -12.034 -1.383 5.515 1.00 0.00 H new ATOM 152 N THR A 11 -15.307 -0.541 -0.292 1.00 0.00 N ATOM 153 CA THR A 11 -15.564 0.635 -1.109 1.00 0.00 C ATOM 154 C THR A 11 -14.309 1.495 -1.257 1.00 0.00 C ATOM 155 O THR A 11 -13.354 1.349 -0.495 1.00 0.00 O ATOM 156 CB THR A 11 -16.694 1.466 -0.497 1.00 0.00 C ATOM 157 OG1 THR A 11 -16.713 1.324 0.912 1.00 0.00 O ATOM 158 CG2 THR A 11 -18.064 1.088 -1.015 1.00 0.00 C ATOM 0 H THR A 11 -15.946 -0.652 0.495 1.00 0.00 H new ATOM 0 HA THR A 11 -15.861 0.294 -2.101 1.00 0.00 H new ATOM 0 HB THR A 11 -16.486 2.496 -0.788 1.00 0.00 H new ATOM 0 HG1 THR A 11 -17.441 1.864 1.285 1.00 0.00 H new ATOM 0 HG21 THR A 11 -18.818 1.715 -0.540 1.00 0.00 H new ATOM 0 HG22 THR A 11 -18.098 1.234 -2.095 1.00 0.00 H new ATOM 0 HG23 THR A 11 -18.264 0.042 -0.784 1.00 0.00 H new ATOM 166 N PRO A 12 -14.299 2.408 -2.245 1.00 0.00 N ATOM 167 CA PRO A 12 -13.158 3.294 -2.492 1.00 0.00 C ATOM 168 C PRO A 12 -13.080 4.434 -1.482 1.00 0.00 C ATOM 169 O PRO A 12 -14.098 5.029 -1.125 1.00 0.00 O ATOM 170 CB PRO A 12 -13.443 3.839 -3.891 1.00 0.00 C ATOM 171 CG PRO A 12 -14.928 3.832 -3.997 1.00 0.00 C ATOM 172 CD PRO A 12 -15.400 2.646 -3.198 1.00 0.00 C ATOM 0 HA PRO A 12 -12.205 2.773 -2.404 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -13.041 4.844 -4.015 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -12.987 3.216 -4.660 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -15.351 4.758 -3.606 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -15.244 3.751 -5.037 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -16.337 2.857 -2.683 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -15.574 1.778 -3.834 1.00 0.00 H new ATOM 180 N THR A 13 -11.869 4.734 -1.022 1.00 0.00 N ATOM 181 CA THR A 13 -11.668 5.805 -0.053 1.00 0.00 C ATOM 182 C THR A 13 -10.219 6.280 -0.053 1.00 0.00 C ATOM 183 O THR A 13 -9.332 5.602 -0.572 1.00 0.00 O ATOM 184 CB THR A 13 -12.064 5.333 1.347 1.00 0.00 C ATOM 185 OG1 THR A 13 -11.903 3.932 1.467 1.00 0.00 O ATOM 186 CG2 THR A 13 -13.496 5.664 1.707 1.00 0.00 C ATOM 0 H THR A 13 -11.015 4.252 -1.304 1.00 0.00 H new ATOM 0 HA THR A 13 -12.302 6.643 -0.340 1.00 0.00 H new ATOM 0 HB THR A 13 -11.403 5.866 2.030 1.00 0.00 H new ATOM 0 HG1 THR A 13 -10.953 3.704 1.387 1.00 0.00 H new ATOM 0 HG21 THR A 13 -13.712 5.302 2.712 1.00 0.00 H new ATOM 0 HG22 THR A 13 -13.640 6.744 1.672 1.00 0.00 H new ATOM 0 HG23 THR A 13 -14.170 5.185 0.997 1.00 0.00 H new ATOM 194 N THR A 14 -9.985 7.450 0.535 1.00 0.00 N ATOM 195 CA THR A 14 -8.644 8.017 0.607 1.00 0.00 C ATOM 196 C THR A 14 -8.233 8.250 2.057 1.00 0.00 C ATOM 197 O THR A 14 -9.077 8.496 2.919 1.00 0.00 O ATOM 198 CB THR A 14 -8.582 9.334 -0.169 1.00 0.00 C ATOM 199 OG1 THR A 14 -9.319 10.344 0.496 1.00 0.00 O ATOM 200 CG2 THR A 14 -9.122 9.224 -1.579 1.00 0.00 C ATOM 0 H THR A 14 -10.708 8.024 0.969 1.00 0.00 H new ATOM 0 HA THR A 14 -7.950 7.306 0.158 1.00 0.00 H new ATOM 0 HB THR A 14 -7.523 9.588 -0.221 1.00 0.00 H new ATOM 0 HG1 THR A 14 -8.844 11.198 0.422 1.00 0.00 H new ATOM 0 HG21 THR A 14 -9.049 10.193 -2.073 1.00 0.00 H new ATOM 0 HG22 THR A 14 -8.541 8.488 -2.135 1.00 0.00 H new ATOM 0 HG23 THR A 14 -10.166 8.912 -1.546 1.00 0.00 H new ATOM 208 N THR A 15 -6.933 8.168 2.320 1.00 0.00 N ATOM 209 CA THR A 15 -6.414 8.370 3.667 1.00 0.00 C ATOM 210 C THR A 15 -5.033 9.017 3.629 1.00 0.00 C ATOM 211 O THR A 15 -4.013 8.328 3.612 1.00 0.00 O ATOM 212 CB THR A 15 -6.344 7.036 4.413 1.00 0.00 C ATOM 213 OG1 THR A 15 -5.575 7.163 5.596 1.00 0.00 O ATOM 214 CG2 THR A 15 -5.740 5.920 3.589 1.00 0.00 C ATOM 0 H THR A 15 -6.221 7.963 1.619 1.00 0.00 H new ATOM 0 HA THR A 15 -7.094 9.040 4.194 1.00 0.00 H new ATOM 0 HB THR A 15 -7.378 6.778 4.640 1.00 0.00 H new ATOM 0 HG1 THR A 15 -5.543 6.300 6.060 1.00 0.00 H new ATOM 0 HG21 THR A 15 -5.720 5.003 4.178 1.00 0.00 H new ATOM 0 HG22 THR A 15 -6.340 5.763 2.693 1.00 0.00 H new ATOM 0 HG23 THR A 15 -4.723 6.189 3.302 1.00 0.00 H new ATOM 222 N GLY A 16 -5.009 10.346 3.611 1.00 0.00 N ATOM 223 CA GLY A 16 -3.759 11.062 3.571 1.00 0.00 C ATOM 224 C GLY A 16 -3.095 11.152 4.931 1.00 0.00 C ATOM 225 O GLY A 16 -3.748 11.463 5.928 1.00 0.00 O ATOM 0 H GLY A 16 -5.840 10.937 3.624 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -3.083 10.568 2.873 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -3.933 12.068 3.188 1.00 0.00 H new ATOM 229 N CYS A 17 -1.796 10.880 4.974 1.00 0.00 N ATOM 230 CA CYS A 17 -1.045 10.931 6.223 1.00 0.00 C ATOM 231 C CYS A 17 -0.270 12.239 6.340 1.00 0.00 C ATOM 232 O CYS A 17 -0.291 13.069 5.431 1.00 0.00 O ATOM 233 CB CYS A 17 -0.083 9.746 6.314 1.00 0.00 C ATOM 234 SG CYS A 17 -0.910 8.128 6.445 1.00 0.00 S ATOM 0 H CYS A 17 -1.241 10.622 4.158 1.00 0.00 H new ATOM 0 HA CYS A 17 -1.757 10.876 7.047 1.00 0.00 H new ATOM 0 HB2 CYS A 17 0.559 9.744 5.433 1.00 0.00 H new ATOM 0 HB3 CYS A 17 0.565 9.883 7.180 1.00 0.00 H new ATOM 239 N SER A 18 0.414 12.417 7.467 1.00 0.00 N ATOM 240 CA SER A 18 1.196 13.624 7.704 1.00 0.00 C ATOM 241 C SER A 18 2.294 13.366 8.731 1.00 0.00 C ATOM 242 O SER A 18 2.015 13.116 9.904 1.00 0.00 O ATOM 243 CB SER A 18 0.287 14.760 8.182 1.00 0.00 C ATOM 244 OG SER A 18 0.494 15.934 7.417 1.00 0.00 O ATOM 0 H SER A 18 0.442 11.740 8.230 1.00 0.00 H new ATOM 0 HA SER A 18 1.665 13.916 6.764 1.00 0.00 H new ATOM 0 HB2 SER A 18 -0.756 14.452 8.106 1.00 0.00 H new ATOM 0 HB3 SER A 18 0.482 14.968 9.234 1.00 0.00 H new ATOM 0 HG SER A 18 -0.099 16.644 7.740 1.00 0.00 H new ATOM 250 N GLY A 19 3.542 13.427 8.282 1.00 0.00 N ATOM 251 CA GLY A 19 4.665 13.197 9.174 1.00 0.00 C ATOM 252 C GLY A 19 5.788 12.431 8.505 1.00 0.00 C ATOM 253 O GLY A 19 5.855 12.360 7.278 1.00 0.00 O ATOM 0 H GLY A 19 3.797 13.632 7.316 1.00 0.00 H new ATOM 0 HA2 GLY A 19 5.044 14.155 9.530 1.00 0.00 H new ATOM 0 HA3 GLY A 19 4.323 12.644 10.049 1.00 0.00 H new ATOM 257 N GLY A 20 6.675 11.857 9.314 1.00 0.00 N ATOM 258 CA GLY A 20 7.791 11.101 8.780 1.00 0.00 C ATOM 259 C GLY A 20 7.365 10.066 7.755 1.00 0.00 C ATOM 260 O GLY A 20 8.148 9.687 6.885 1.00 0.00 O ATOM 0 H GLY A 20 6.639 11.903 10.332 1.00 0.00 H new ATOM 0 HA2 GLY A 20 8.503 11.788 8.322 1.00 0.00 H new ATOM 0 HA3 GLY A 20 8.311 10.603 9.598 1.00 0.00 H new ATOM 264 N GLU A 21 6.121 9.609 7.860 1.00 0.00 N ATOM 265 CA GLU A 21 5.594 8.612 6.935 1.00 0.00 C ATOM 266 C GLU A 21 5.167 9.258 5.621 1.00 0.00 C ATOM 267 O GLU A 21 4.205 10.025 5.579 1.00 0.00 O ATOM 268 CB GLU A 21 4.408 7.879 7.566 1.00 0.00 C ATOM 269 CG GLU A 21 4.350 6.403 7.214 1.00 0.00 C ATOM 270 CD GLU A 21 3.945 5.538 8.391 1.00 0.00 C ATOM 271 OE1 GLU A 21 4.378 5.837 9.524 1.00 0.00 O ATOM 272 OE2 GLU A 21 3.195 4.561 8.180 1.00 0.00 O ATOM 0 H GLU A 21 5.460 9.913 8.575 1.00 0.00 H new ATOM 0 HA GLU A 21 6.387 7.894 6.724 1.00 0.00 H new ATOM 0 HB2 GLU A 21 4.461 7.984 8.650 1.00 0.00 H new ATOM 0 HB3 GLU A 21 3.483 8.357 7.245 1.00 0.00 H new ATOM 0 HG2 GLU A 21 3.642 6.255 6.399 1.00 0.00 H new ATOM 0 HG3 GLU A 21 5.326 6.081 6.850 1.00 0.00 H new ATOM 279 N ASN A 22 5.887 8.942 4.550 1.00 0.00 N ATOM 280 CA ASN A 22 5.581 9.492 3.233 1.00 0.00 C ATOM 281 C ASN A 22 5.660 8.411 2.158 1.00 0.00 C ATOM 282 O ASN A 22 5.935 8.700 0.993 1.00 0.00 O ATOM 283 CB ASN A 22 6.545 10.631 2.898 1.00 0.00 C ATOM 284 CG ASN A 22 6.178 11.924 3.600 1.00 0.00 C ATOM 285 OD1 ASN A 22 6.693 12.228 4.676 1.00 0.00 O ATOM 286 ND2 ASN A 22 5.284 12.695 2.992 1.00 0.00 N ATOM 0 H ASN A 22 6.686 8.308 4.567 1.00 0.00 H new ATOM 0 HA ASN A 22 4.563 9.880 3.257 1.00 0.00 H new ATOM 0 HB2 ASN A 22 7.557 10.342 3.181 1.00 0.00 H new ATOM 0 HB3 ASN A 22 6.550 10.794 1.820 1.00 0.00 H new ATOM 0 HD21 ASN A 22 4.999 13.578 3.416 1.00 0.00 H new ATOM 0 HD22 ASN A 22 4.882 12.404 2.101 1.00 0.00 H new ATOM 293 N ASN A 23 5.416 7.166 2.555 1.00 0.00 N ATOM 294 CA ASN A 23 5.460 6.044 1.626 1.00 0.00 C ATOM 295 C ASN A 23 4.170 5.231 1.695 1.00 0.00 C ATOM 296 O ASN A 23 3.641 4.981 2.778 1.00 0.00 O ATOM 297 CB ASN A 23 6.657 5.147 1.937 1.00 0.00 C ATOM 298 CG ASN A 23 7.966 5.914 1.944 1.00 0.00 C ATOM 299 OD1 ASN A 23 8.425 6.370 2.991 1.00 0.00 O ATOM 300 ND2 ASN A 23 8.575 6.057 0.773 1.00 0.00 N ATOM 0 H ASN A 23 5.186 6.909 3.515 1.00 0.00 H new ATOM 0 HA ASN A 23 5.565 6.442 0.617 1.00 0.00 H new ATOM 0 HB2 ASN A 23 6.511 4.674 2.908 1.00 0.00 H new ATOM 0 HB3 ASN A 23 6.711 4.348 1.198 1.00 0.00 H new ATOM 0 HD21 ASN A 23 9.460 6.562 0.717 1.00 0.00 H new ATOM 0 HD22 ASN A 23 8.158 5.662 -0.070 1.00 0.00 H new ATOM 307 N CYS A 24 3.668 4.820 0.534 1.00 0.00 N ATOM 308 CA CYS A 24 2.441 4.035 0.470 1.00 0.00 C ATOM 309 C CYS A 24 2.719 2.628 -0.047 1.00 0.00 C ATOM 310 O CYS A 24 3.163 2.446 -1.180 1.00 0.00 O ATOM 311 CB CYS A 24 1.411 4.726 -0.423 1.00 0.00 C ATOM 312 SG CYS A 24 1.114 6.471 0.009 1.00 0.00 S ATOM 0 H CYS A 24 4.091 5.017 -0.373 1.00 0.00 H new ATOM 0 HA CYS A 24 2.039 3.957 1.480 1.00 0.00 H new ATOM 0 HB2 CYS A 24 1.746 4.670 -1.459 1.00 0.00 H new ATOM 0 HB3 CYS A 24 0.469 4.181 -0.363 1.00 0.00 H new ATOM 317 N TYR A 25 2.466 1.638 0.801 1.00 0.00 N ATOM 318 CA TYR A 25 2.695 0.256 0.456 1.00 0.00 C ATOM 319 C TYR A 25 1.453 -0.392 -0.151 1.00 0.00 C ATOM 320 O TYR A 25 0.337 0.104 0.005 1.00 0.00 O ATOM 321 CB TYR A 25 3.131 -0.519 1.697 1.00 0.00 C ATOM 322 CG TYR A 25 2.054 -0.639 2.754 1.00 0.00 C ATOM 323 CD1 TYR A 25 1.816 0.396 3.650 1.00 0.00 C ATOM 324 CD2 TYR A 25 1.275 -1.787 2.857 1.00 0.00 C ATOM 325 CE1 TYR A 25 0.835 0.293 4.617 1.00 0.00 C ATOM 326 CE2 TYR A 25 0.292 -1.897 3.823 1.00 0.00 C ATOM 327 CZ TYR A 25 0.076 -0.855 4.700 1.00 0.00 C ATOM 328 OH TYR A 25 -0.902 -0.961 5.661 1.00 0.00 O ATOM 0 H TYR A 25 2.098 1.779 1.742 1.00 0.00 H new ATOM 0 HA TYR A 25 3.484 0.226 -0.296 1.00 0.00 H new ATOM 0 HB2 TYR A 25 3.445 -1.519 1.397 1.00 0.00 H new ATOM 0 HB3 TYR A 25 4.001 -0.028 2.133 1.00 0.00 H new ATOM 0 HD1 TYR A 25 2.408 1.297 3.589 1.00 0.00 H new ATOM 0 HD2 TYR A 25 1.441 -2.605 2.172 1.00 0.00 H new ATOM 0 HE1 TYR A 25 0.663 1.108 5.305 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -0.304 -2.795 3.890 1.00 0.00 H new ATOM 0 HH TYR A 25 -1.345 -1.832 5.582 1.00 0.00 H new ATOM 338 N LYS A 26 1.666 -1.514 -0.830 1.00 0.00 N ATOM 339 CA LYS A 26 0.582 -2.263 -1.456 1.00 0.00 C ATOM 340 C LYS A 26 0.825 -3.756 -1.280 1.00 0.00 C ATOM 341 O LYS A 26 1.569 -4.368 -2.047 1.00 0.00 O ATOM 342 CB LYS A 26 0.480 -1.916 -2.943 1.00 0.00 C ATOM 343 CG LYS A 26 -0.749 -2.503 -3.618 1.00 0.00 C ATOM 344 CD LYS A 26 -0.544 -2.650 -5.117 1.00 0.00 C ATOM 345 CE LYS A 26 -0.354 -1.300 -5.788 1.00 0.00 C ATOM 346 NZ LYS A 26 -0.481 -1.393 -7.269 1.00 0.00 N ATOM 0 H LYS A 26 2.589 -1.928 -0.962 1.00 0.00 H new ATOM 0 HA LYS A 26 -0.358 -1.993 -0.976 1.00 0.00 H new ATOM 0 HB2 LYS A 26 0.464 -0.832 -3.055 1.00 0.00 H new ATOM 0 HB3 LYS A 26 1.373 -2.276 -3.454 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -0.974 -3.477 -3.183 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -1.610 -1.863 -3.428 1.00 0.00 H new ATOM 0 HD2 LYS A 26 0.327 -3.277 -5.306 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -1.404 -3.157 -5.555 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -1.093 -0.597 -5.404 1.00 0.00 H new ATOM 0 HE3 LYS A 26 0.628 -0.902 -5.532 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -0.345 -0.451 -7.689 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 0.240 -2.045 -7.639 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -1.427 -1.748 -7.515 1.00 0.00 H new ATOM 360 N LYS A 27 0.216 -4.335 -0.250 1.00 0.00 N ATOM 361 CA LYS A 27 0.391 -5.751 0.040 1.00 0.00 C ATOM 362 C LYS A 27 -0.767 -6.588 -0.492 1.00 0.00 C ATOM 363 O LYS A 27 -1.930 -6.325 -0.189 1.00 0.00 O ATOM 364 CB LYS A 27 0.537 -5.962 1.549 1.00 0.00 C ATOM 365 CG LYS A 27 -0.325 -5.035 2.391 1.00 0.00 C ATOM 366 CD LYS A 27 -0.626 -5.639 3.754 1.00 0.00 C ATOM 367 CE LYS A 27 0.647 -5.902 4.541 1.00 0.00 C ATOM 368 NZ LYS A 27 0.372 -6.106 5.990 1.00 0.00 N ATOM 0 H LYS A 27 -0.402 -3.845 0.396 1.00 0.00 H new ATOM 0 HA LYS A 27 1.298 -6.081 -0.466 1.00 0.00 H new ATOM 0 HB2 LYS A 27 0.281 -6.995 1.787 1.00 0.00 H new ATOM 0 HB3 LYS A 27 1.582 -5.820 1.826 1.00 0.00 H new ATOM 0 HG2 LYS A 27 0.184 -4.080 2.520 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -1.259 -4.830 1.868 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -1.270 -4.964 4.318 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -1.175 -6.572 3.626 1.00 0.00 H new ATOM 0 HE2 LYS A 27 1.147 -6.783 4.139 1.00 0.00 H new ATOM 0 HE3 LYS A 27 1.331 -5.063 4.416 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 1.266 -6.282 6.492 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -0.082 -5.256 6.380 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -0.260 -6.923 6.112 1.00 0.00 H new ATOM 382 N GLU A 28 -0.432 -7.605 -1.281 1.00 0.00 N ATOM 383 CA GLU A 28 -1.429 -8.497 -1.857 1.00 0.00 C ATOM 384 C GLU A 28 -1.149 -9.942 -1.452 1.00 0.00 C ATOM 385 O GLU A 28 -0.023 -10.423 -1.579 1.00 0.00 O ATOM 386 CB GLU A 28 -1.438 -8.378 -3.384 1.00 0.00 C ATOM 387 CG GLU A 28 -0.125 -7.885 -3.975 1.00 0.00 C ATOM 388 CD GLU A 28 -0.197 -7.702 -5.479 1.00 0.00 C ATOM 389 OE1 GLU A 28 -1.088 -8.310 -6.109 1.00 0.00 O ATOM 390 OE2 GLU A 28 0.638 -6.951 -6.026 1.00 0.00 O ATOM 0 H GLU A 28 0.529 -7.831 -1.536 1.00 0.00 H new ATOM 0 HA GLU A 28 -2.408 -8.206 -1.475 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -1.674 -9.352 -3.813 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -2.236 -7.697 -3.680 1.00 0.00 H new ATOM 0 HG2 GLU A 28 0.146 -6.937 -3.510 1.00 0.00 H new ATOM 0 HG3 GLU A 28 0.667 -8.595 -3.736 1.00 0.00 H new ATOM 397 N TRP A 29 -2.177 -10.629 -0.964 1.00 0.00 N ATOM 398 CA TRP A 29 -2.036 -12.018 -0.541 1.00 0.00 C ATOM 399 C TRP A 29 -3.240 -12.845 -0.976 1.00 0.00 C ATOM 400 O TRP A 29 -4.380 -12.385 -0.907 1.00 0.00 O ATOM 401 CB TRP A 29 -1.865 -12.104 0.979 1.00 0.00 C ATOM 402 CG TRP A 29 -3.080 -11.693 1.748 1.00 0.00 C ATOM 403 CD1 TRP A 29 -3.850 -12.500 2.521 1.00 0.00 C ATOM 404 CD2 TRP A 29 -3.657 -10.384 1.830 1.00 0.00 C ATOM 405 NE1 TRP A 29 -4.883 -11.784 3.076 1.00 0.00 N ATOM 406 CE2 TRP A 29 -4.786 -10.480 2.666 1.00 0.00 C ATOM 407 CE3 TRP A 29 -3.335 -9.140 1.276 1.00 0.00 C ATOM 408 CZ2 TRP A 29 -5.590 -9.382 2.962 1.00 0.00 C ATOM 409 CZ3 TRP A 29 -4.133 -8.053 1.571 1.00 0.00 C ATOM 410 CH2 TRP A 29 -5.250 -8.179 2.406 1.00 0.00 C ATOM 0 H TRP A 29 -3.116 -10.247 -0.852 1.00 0.00 H new ATOM 0 HA TRP A 29 -1.145 -12.424 -1.020 1.00 0.00 H new ATOM 0 HB2 TRP A 29 -1.605 -13.128 1.249 1.00 0.00 H new ATOM 0 HB3 TRP A 29 -1.027 -11.473 1.277 1.00 0.00 H new ATOM 0 HD1 TRP A 29 -3.676 -13.554 2.678 1.00 0.00 H new ATOM 0 HE1 TRP A 29 -5.603 -12.161 3.692 1.00 0.00 H new ATOM 0 HE3 TRP A 29 -2.477 -9.032 0.629 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 -6.451 -9.477 3.607 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 -3.892 -7.088 1.150 1.00 0.00 H new ATOM 0 HH2 TRP A 29 -5.855 -7.309 2.615 1.00 0.00 H new ATOM 421 N ARG A 30 -2.981 -14.069 -1.422 1.00 0.00 N ATOM 422 CA ARG A 30 -4.041 -14.958 -1.866 1.00 0.00 C ATOM 423 C ARG A 30 -4.514 -15.851 -0.724 1.00 0.00 C ATOM 424 O ARG A 30 -3.904 -15.887 0.345 1.00 0.00 O ATOM 425 CB ARG A 30 -3.556 -15.815 -3.035 1.00 0.00 C ATOM 426 CG ARG A 30 -2.158 -16.379 -2.845 1.00 0.00 C ATOM 427 CD ARG A 30 -2.053 -17.800 -3.375 1.00 0.00 C ATOM 428 NE ARG A 30 -0.921 -18.519 -2.798 1.00 0.00 N ATOM 429 CZ ARG A 30 -0.766 -19.839 -2.869 1.00 0.00 C ATOM 430 NH1 ARG A 30 -1.669 -20.587 -3.492 1.00 0.00 N ATOM 431 NH2 ARG A 30 0.294 -20.412 -2.318 1.00 0.00 N ATOM 0 H ARG A 30 -2.044 -14.466 -1.485 1.00 0.00 H new ATOM 0 HA ARG A 30 -4.882 -14.348 -2.197 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -4.253 -16.640 -3.182 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -3.575 -15.215 -3.945 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -1.436 -15.744 -3.358 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -1.900 -16.365 -1.786 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -2.975 -18.338 -3.153 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -1.951 -17.775 -4.460 1.00 0.00 H new ATOM 0 HE ARG A 30 -0.206 -17.978 -2.312 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -2.486 -20.150 -3.919 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -1.546 -21.598 -3.544 1.00 0.00 H new ATOM 0 HH21 ARG A 30 0.991 -19.842 -1.839 1.00 0.00 H new ATOM 0 HH22 ARG A 30 0.413 -21.424 -2.372 1.00 0.00 H new ATOM 445 N ASP A 31 -5.607 -16.569 -0.958 1.00 0.00 N ATOM 446 CA ASP A 31 -6.168 -17.462 0.049 1.00 0.00 C ATOM 447 C ASP A 31 -7.082 -18.501 -0.598 1.00 0.00 C ATOM 448 O ASP A 31 -7.045 -18.701 -1.812 1.00 0.00 O ATOM 449 CB ASP A 31 -6.934 -16.654 1.101 1.00 0.00 C ATOM 450 CG ASP A 31 -8.102 -15.892 0.508 1.00 0.00 C ATOM 451 OD1 ASP A 31 -8.882 -16.498 -0.256 1.00 0.00 O ATOM 452 OD2 ASP A 31 -8.238 -14.687 0.808 1.00 0.00 O ATOM 0 H ASP A 31 -6.123 -16.550 -1.838 1.00 0.00 H new ATOM 0 HA ASP A 31 -5.350 -17.989 0.539 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -7.299 -17.327 1.877 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -6.253 -15.952 1.583 1.00 0.00 H new ATOM 457 N ASN A 32 -7.898 -19.162 0.217 1.00 0.00 N ATOM 458 CA ASN A 32 -8.815 -20.183 -0.278 1.00 0.00 C ATOM 459 C ASN A 32 -9.761 -19.616 -1.336 1.00 0.00 C ATOM 460 O ASN A 32 -9.593 -19.868 -2.530 1.00 0.00 O ATOM 461 CB ASN A 32 -9.622 -20.774 0.879 1.00 0.00 C ATOM 462 CG ASN A 32 -8.749 -21.519 1.871 1.00 0.00 C ATOM 463 OD1 ASN A 32 -8.454 -22.700 1.691 1.00 0.00 O ATOM 464 ND2 ASN A 32 -8.331 -20.828 2.925 1.00 0.00 N ATOM 0 H ASN A 32 -7.943 -19.009 1.224 1.00 0.00 H new ATOM 0 HA ASN A 32 -8.220 -20.970 -0.742 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -10.152 -19.973 1.395 1.00 0.00 H new ATOM 0 HB3 ASN A 32 -10.377 -21.453 0.482 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -7.740 -21.275 3.626 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -8.601 -19.850 3.033 1.00 0.00 H new ATOM 471 N ARG A 33 -10.761 -18.860 -0.892 1.00 0.00 N ATOM 472 CA ARG A 33 -11.739 -18.269 -1.796 1.00 0.00 C ATOM 473 C ARG A 33 -11.067 -17.470 -2.911 1.00 0.00 C ATOM 474 O ARG A 33 -11.269 -17.753 -4.093 1.00 0.00 O ATOM 475 CB ARG A 33 -12.707 -17.376 -1.018 1.00 0.00 C ATOM 476 CG ARG A 33 -12.028 -16.471 -0.004 1.00 0.00 C ATOM 477 CD ARG A 33 -12.748 -16.490 1.335 1.00 0.00 C ATOM 478 NE ARG A 33 -12.157 -15.554 2.289 1.00 0.00 N ATOM 479 CZ ARG A 33 -12.262 -14.231 2.189 1.00 0.00 C ATOM 480 NH1 ARG A 33 -12.930 -13.685 1.180 1.00 0.00 N ATOM 481 NH2 ARG A 33 -11.695 -13.451 3.100 1.00 0.00 N ATOM 0 H ARG A 33 -10.914 -18.642 0.093 1.00 0.00 H new ATOM 0 HA ARG A 33 -12.295 -19.084 -2.260 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -13.265 -16.761 -1.723 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -13.431 -18.005 -0.501 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -10.995 -16.789 0.134 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -11.999 -15.451 -0.388 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -13.798 -16.240 1.185 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -12.716 -17.498 1.749 1.00 0.00 H new ATOM 0 HE ARG A 33 -11.634 -15.937 3.077 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -13.366 -14.280 0.476 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -13.007 -12.670 1.109 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -11.179 -13.865 3.876 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -11.775 -12.437 3.024 1.00 0.00 H new ATOM 495 N GLY A 34 -10.272 -16.473 -2.535 1.00 0.00 N ATOM 496 CA GLY A 34 -9.594 -15.656 -3.525 1.00 0.00 C ATOM 497 C GLY A 34 -8.382 -14.939 -2.964 1.00 0.00 C ATOM 498 O GLY A 34 -7.643 -15.497 -2.154 1.00 0.00 O ATOM 0 H GLY A 34 -10.086 -16.217 -1.565 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -9.284 -16.286 -4.359 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -10.293 -14.921 -3.923 1.00 0.00 H new ATOM 502 N TYR A 35 -8.175 -13.699 -3.398 1.00 0.00 N ATOM 503 CA TYR A 35 -7.042 -12.906 -2.935 1.00 0.00 C ATOM 504 C TYR A 35 -7.482 -11.496 -2.551 1.00 0.00 C ATOM 505 O TYR A 35 -8.530 -11.022 -2.988 1.00 0.00 O ATOM 506 CB TYR A 35 -5.959 -12.838 -4.016 1.00 0.00 C ATOM 507 CG TYR A 35 -6.503 -12.719 -5.422 1.00 0.00 C ATOM 508 CD1 TYR A 35 -6.845 -11.482 -5.954 1.00 0.00 C ATOM 509 CD2 TYR A 35 -6.676 -13.845 -6.217 1.00 0.00 C ATOM 510 CE1 TYR A 35 -7.343 -11.371 -7.238 1.00 0.00 C ATOM 511 CE2 TYR A 35 -7.172 -13.743 -7.502 1.00 0.00 C ATOM 512 CZ TYR A 35 -7.505 -12.504 -8.007 1.00 0.00 C ATOM 513 OH TYR A 35 -8.000 -12.397 -9.287 1.00 0.00 O ATOM 0 H TYR A 35 -8.777 -13.222 -4.069 1.00 0.00 H new ATOM 0 HA TYR A 35 -6.631 -13.393 -2.050 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -5.311 -11.985 -3.814 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -5.338 -13.732 -3.951 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -6.720 -10.593 -5.354 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -6.418 -14.817 -5.823 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -7.604 -10.402 -7.637 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -7.298 -14.628 -8.108 1.00 0.00 H new ATOM 0 HH TYR A 35 -8.051 -13.287 -9.693 1.00 0.00 H new ATOM 523 N ARG A 36 -6.672 -10.833 -1.732 1.00 0.00 N ATOM 524 CA ARG A 36 -6.975 -9.477 -1.287 1.00 0.00 C ATOM 525 C ARG A 36 -5.750 -8.577 -1.416 1.00 0.00 C ATOM 526 O ARG A 36 -4.646 -9.050 -1.681 1.00 0.00 O ATOM 527 CB ARG A 36 -7.461 -9.491 0.163 1.00 0.00 C ATOM 528 CG ARG A 36 -8.937 -9.820 0.307 1.00 0.00 C ATOM 529 CD ARG A 36 -9.372 -9.801 1.764 1.00 0.00 C ATOM 530 NE ARG A 36 -8.675 -10.812 2.555 1.00 0.00 N ATOM 531 CZ ARG A 36 -8.642 -10.819 3.886 1.00 0.00 C ATOM 532 NH1 ARG A 36 -9.265 -9.872 4.577 1.00 0.00 N ATOM 533 NH2 ARG A 36 -7.985 -11.775 4.529 1.00 0.00 N ATOM 0 H ARG A 36 -5.800 -11.213 -1.363 1.00 0.00 H new ATOM 0 HA ARG A 36 -7.765 -9.079 -1.924 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -6.878 -10.220 0.726 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -7.269 -8.516 0.611 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -9.528 -9.101 -0.260 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -9.135 -10.803 -0.120 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -9.181 -8.815 2.187 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -10.447 -9.971 1.824 1.00 0.00 H new ATOM 0 HE ARG A 36 -8.185 -11.556 2.059 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -9.772 -9.134 4.088 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -9.236 -9.882 5.597 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -7.505 -12.506 4.004 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -7.960 -11.780 5.549 1.00 0.00 H new ATOM 547 N THR A 37 -5.954 -7.277 -1.227 1.00 0.00 N ATOM 548 CA THR A 37 -4.865 -6.311 -1.322 1.00 0.00 C ATOM 549 C THR A 37 -5.223 -5.013 -0.606 1.00 0.00 C ATOM 550 O THR A 37 -6.238 -4.386 -0.911 1.00 0.00 O ATOM 551 CB THR A 37 -4.537 -6.025 -2.788 1.00 0.00 C ATOM 552 OG1 THR A 37 -4.409 -7.232 -3.518 1.00 0.00 O ATOM 553 CG2 THR A 37 -3.256 -5.240 -2.974 1.00 0.00 C ATOM 0 H THR A 37 -6.862 -6.869 -1.007 1.00 0.00 H new ATOM 0 HA THR A 37 -3.988 -6.741 -0.837 1.00 0.00 H new ATOM 0 HB THR A 37 -5.369 -5.425 -3.157 1.00 0.00 H new ATOM 0 HG1 THR A 37 -4.103 -7.945 -2.920 1.00 0.00 H new ATOM 0 HG21 THR A 37 -3.083 -5.072 -4.037 1.00 0.00 H new ATOM 0 HG22 THR A 37 -3.340 -4.280 -2.464 1.00 0.00 H new ATOM 0 HG23 THR A 37 -2.421 -5.802 -2.555 1.00 0.00 H new ATOM 561 N GLU A 38 -4.384 -4.613 0.346 1.00 0.00 N ATOM 562 CA GLU A 38 -4.615 -3.390 1.102 1.00 0.00 C ATOM 563 C GLU A 38 -3.471 -2.402 0.896 1.00 0.00 C ATOM 564 O GLU A 38 -2.340 -2.797 0.603 1.00 0.00 O ATOM 565 CB GLU A 38 -4.771 -3.702 2.593 1.00 0.00 C ATOM 566 CG GLU A 38 -4.071 -4.976 3.039 1.00 0.00 C ATOM 567 CD GLU A 38 -4.172 -5.204 4.534 1.00 0.00 C ATOM 568 OE1 GLU A 38 -5.163 -5.824 4.973 1.00 0.00 O ATOM 569 OE2 GLU A 38 -3.262 -4.762 5.267 1.00 0.00 O ATOM 0 H GLU A 38 -3.539 -5.119 0.611 1.00 0.00 H new ATOM 0 HA GLU A 38 -5.537 -2.937 0.737 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -4.380 -2.865 3.171 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -5.833 -3.783 2.827 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -4.506 -5.827 2.515 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -3.020 -4.928 2.753 1.00 0.00 H new ATOM 576 N ARG A 39 -3.773 -1.118 1.050 1.00 0.00 N ATOM 577 CA ARG A 39 -2.773 -0.070 0.882 1.00 0.00 C ATOM 578 C ARG A 39 -2.702 0.816 2.121 1.00 0.00 C ATOM 579 O ARG A 39 -3.264 0.485 3.165 1.00 0.00 O ATOM 580 CB ARG A 39 -3.092 0.778 -0.353 1.00 0.00 C ATOM 581 CG ARG A 39 -3.629 -0.029 -1.524 1.00 0.00 C ATOM 582 CD ARG A 39 -3.555 0.750 -2.828 1.00 0.00 C ATOM 583 NE ARG A 39 -4.818 0.698 -3.564 1.00 0.00 N ATOM 584 CZ ARG A 39 -4.912 0.773 -4.891 1.00 0.00 C ATOM 585 NH1 ARG A 39 -3.824 0.917 -5.639 1.00 0.00 N ATOM 586 NH2 ARG A 39 -6.102 0.706 -5.473 1.00 0.00 N ATOM 0 H ARG A 39 -4.704 -0.777 1.291 1.00 0.00 H new ATOM 0 HA ARG A 39 -1.803 -0.546 0.743 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -3.823 1.539 -0.082 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -2.189 1.301 -0.667 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -3.059 -0.953 -1.620 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -4.663 -0.311 -1.327 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -3.300 1.788 -2.617 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -2.756 0.345 -3.449 1.00 0.00 H new ATOM 0 HE ARG A 39 -5.680 0.598 -3.028 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -2.906 0.971 -5.198 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -3.907 0.973 -6.654 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -6.942 0.597 -4.905 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -6.177 0.763 -6.489 1.00 0.00 H new ATOM 600 N GLY A 40 -2.008 1.943 1.999 1.00 0.00 N ATOM 601 CA GLY A 40 -1.878 2.858 3.117 1.00 0.00 C ATOM 602 C GLY A 40 -0.448 3.320 3.319 1.00 0.00 C ATOM 603 O GLY A 40 0.449 2.923 2.577 1.00 0.00 O ATOM 0 H GLY A 40 -1.534 2.239 1.146 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -2.517 3.725 2.950 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -2.232 2.371 4.026 1.00 0.00 H new ATOM 607 N CYS A 41 -0.235 4.162 4.324 1.00 0.00 N ATOM 608 CA CYS A 41 1.089 4.681 4.620 1.00 0.00 C ATOM 609 C CYS A 41 1.914 3.660 5.396 1.00 0.00 C ATOM 610 O CYS A 41 1.519 3.218 6.475 1.00 0.00 O ATOM 611 CB CYS A 41 0.968 5.974 5.424 1.00 0.00 C ATOM 612 SG CYS A 41 -0.289 7.131 4.789 1.00 0.00 S ATOM 0 H CYS A 41 -0.968 4.499 4.948 1.00 0.00 H new ATOM 0 HA CYS A 41 1.598 4.885 3.678 1.00 0.00 H new ATOM 0 HB2 CYS A 41 0.728 5.725 6.458 1.00 0.00 H new ATOM 0 HB3 CYS A 41 1.936 6.475 5.433 1.00 0.00 H new ATOM 617 N GLY A 42 3.062 3.290 4.838 1.00 0.00 N ATOM 618 CA GLY A 42 3.926 2.323 5.488 1.00 0.00 C ATOM 619 C GLY A 42 4.728 1.504 4.497 1.00 0.00 C ATOM 620 O GLY A 42 4.757 1.812 3.306 1.00 0.00 O ATOM 0 H GLY A 42 3.409 3.643 3.946 1.00 0.00 H new ATOM 0 HA2 GLY A 42 4.608 2.844 6.160 1.00 0.00 H new ATOM 0 HA3 GLY A 42 3.322 1.655 6.102 1.00 0.00 H new ATOM 624 N CYS A 43 5.383 0.458 4.990 1.00 0.00 N ATOM 625 CA CYS A 43 6.190 -0.409 4.138 1.00 0.00 C ATOM 626 C CYS A 43 6.740 -1.591 4.932 1.00 0.00 C ATOM 627 O CYS A 43 7.922 -1.621 5.279 1.00 0.00 O ATOM 628 CB CYS A 43 7.340 0.383 3.513 1.00 0.00 C ATOM 629 SG CYS A 43 8.161 -0.469 2.126 1.00 0.00 S ATOM 0 H CYS A 43 5.371 0.190 5.974 1.00 0.00 H new ATOM 0 HA CYS A 43 5.551 -0.795 3.343 1.00 0.00 H new ATOM 0 HB2 CYS A 43 6.958 1.342 3.162 1.00 0.00 H new ATOM 0 HB3 CYS A 43 8.081 0.597 4.284 1.00 0.00 H new ATOM 634 N PRO A 44 5.886 -2.586 5.231 1.00 0.00 N ATOM 635 CA PRO A 44 6.292 -3.775 5.989 1.00 0.00 C ATOM 636 C PRO A 44 7.489 -4.480 5.361 1.00 0.00 C ATOM 637 O PRO A 44 8.125 -3.953 4.450 1.00 0.00 O ATOM 638 CB PRO A 44 5.054 -4.675 5.934 1.00 0.00 C ATOM 639 CG PRO A 44 3.915 -3.744 5.700 1.00 0.00 C ATOM 640 CD PRO A 44 4.460 -2.627 4.857 1.00 0.00 C ATOM 0 HA PRO A 44 6.607 -3.523 7.002 1.00 0.00 H new ATOM 0 HB2 PRO A 44 5.135 -5.410 5.133 1.00 0.00 H new ATOM 0 HB3 PRO A 44 4.927 -5.230 6.864 1.00 0.00 H new ATOM 0 HG2 PRO A 44 3.094 -4.251 5.193 1.00 0.00 H new ATOM 0 HG3 PRO A 44 3.521 -3.365 6.643 1.00 0.00 H new ATOM 0 HD2 PRO A 44 4.328 -2.825 3.793 1.00 0.00 H new ATOM 0 HD3 PRO A 44 3.961 -1.682 5.070 1.00 0.00 H new ATOM 648 N SER A 45 7.790 -5.676 5.857 1.00 0.00 N ATOM 649 CA SER A 45 8.912 -6.455 5.345 1.00 0.00 C ATOM 650 C SER A 45 8.518 -7.916 5.151 1.00 0.00 C ATOM 651 O SER A 45 9.133 -8.819 5.719 1.00 0.00 O ATOM 652 CB SER A 45 10.105 -6.355 6.299 1.00 0.00 C ATOM 653 OG SER A 45 9.922 -7.187 7.432 1.00 0.00 O ATOM 0 H SER A 45 7.273 -6.127 6.612 1.00 0.00 H new ATOM 0 HA SER A 45 9.196 -6.045 4.376 1.00 0.00 H new ATOM 0 HB2 SER A 45 11.018 -6.642 5.777 1.00 0.00 H new ATOM 0 HB3 SER A 45 10.233 -5.321 6.620 1.00 0.00 H new ATOM 0 HG SER A 45 9.914 -8.126 7.151 1.00 0.00 H new ATOM 659 N VAL A 46 7.487 -8.143 4.343 1.00 0.00 N ATOM 660 CA VAL A 46 7.010 -9.493 4.070 1.00 0.00 C ATOM 661 C VAL A 46 7.267 -9.881 2.617 1.00 0.00 C ATOM 662 O VAL A 46 7.285 -9.027 1.730 1.00 0.00 O ATOM 663 CB VAL A 46 5.503 -9.643 4.375 1.00 0.00 C ATOM 664 CG1 VAL A 46 5.294 -10.246 5.754 1.00 0.00 C ATOM 665 CG2 VAL A 46 4.782 -8.306 4.257 1.00 0.00 C ATOM 0 H VAL A 46 6.966 -7.408 3.866 1.00 0.00 H new ATOM 0 HA VAL A 46 7.567 -10.160 4.729 1.00 0.00 H new ATOM 0 HB VAL A 46 5.076 -10.319 3.634 1.00 0.00 H new ATOM 0 HG11 VAL A 46 4.226 -10.344 5.950 1.00 0.00 H new ATOM 0 HG12 VAL A 46 5.762 -11.229 5.796 1.00 0.00 H new ATOM 0 HG13 VAL A 46 5.743 -9.598 6.506 1.00 0.00 H new ATOM 0 HG21 VAL A 46 3.723 -8.443 4.477 1.00 0.00 H new ATOM 0 HG22 VAL A 46 5.211 -7.597 4.965 1.00 0.00 H new ATOM 0 HG23 VAL A 46 4.895 -7.920 3.244 1.00 0.00 H new ATOM 675 N LYS A 47 7.468 -11.174 2.381 1.00 0.00 N ATOM 676 CA LYS A 47 7.727 -11.674 1.035 1.00 0.00 C ATOM 677 C LYS A 47 7.342 -13.146 0.917 1.00 0.00 C ATOM 678 O LYS A 47 6.736 -13.714 1.826 1.00 0.00 O ATOM 679 CB LYS A 47 9.203 -11.489 0.680 1.00 0.00 C ATOM 680 CG LYS A 47 10.146 -12.290 1.565 1.00 0.00 C ATOM 681 CD LYS A 47 10.762 -13.461 0.813 1.00 0.00 C ATOM 682 CE LYS A 47 11.349 -14.488 1.769 1.00 0.00 C ATOM 683 NZ LYS A 47 12.328 -15.381 1.091 1.00 0.00 N ATOM 0 H LYS A 47 7.457 -11.894 3.104 1.00 0.00 H new ATOM 0 HA LYS A 47 7.116 -11.103 0.336 1.00 0.00 H new ATOM 0 HB2 LYS A 47 9.358 -11.780 -0.359 1.00 0.00 H new ATOM 0 HB3 LYS A 47 9.457 -10.432 0.756 1.00 0.00 H new ATOM 0 HG2 LYS A 47 10.937 -11.639 1.937 1.00 0.00 H new ATOM 0 HG3 LYS A 47 9.603 -12.661 2.434 1.00 0.00 H new ATOM 0 HD2 LYS A 47 10.004 -13.934 0.189 1.00 0.00 H new ATOM 0 HD3 LYS A 47 11.542 -13.096 0.145 1.00 0.00 H new ATOM 0 HE2 LYS A 47 11.838 -13.975 2.597 1.00 0.00 H new ATOM 0 HE3 LYS A 47 10.545 -15.088 2.196 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 12.705 -16.066 1.776 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 11.856 -15.890 0.317 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 13.108 -14.812 0.706 1.00 0.00 H new ATOM 697 N LYS A 48 7.699 -13.758 -0.208 1.00 0.00 N ATOM 698 CA LYS A 48 7.393 -15.166 -0.448 1.00 0.00 C ATOM 699 C LYS A 48 5.890 -15.382 -0.586 1.00 0.00 C ATOM 700 O LYS A 48 5.183 -15.548 0.407 1.00 0.00 O ATOM 701 CB LYS A 48 7.943 -16.033 0.687 1.00 0.00 C ATOM 702 CG LYS A 48 7.928 -17.522 0.377 1.00 0.00 C ATOM 703 CD LYS A 48 9.282 -18.001 -0.123 1.00 0.00 C ATOM 704 CE LYS A 48 9.510 -19.467 0.207 1.00 0.00 C ATOM 705 NZ LYS A 48 9.604 -19.698 1.675 1.00 0.00 N ATOM 0 H LYS A 48 8.201 -13.301 -0.969 1.00 0.00 H new ATOM 0 HA LYS A 48 7.871 -15.459 -1.383 1.00 0.00 H new ATOM 0 HB2 LYS A 48 8.966 -15.726 0.905 1.00 0.00 H new ATOM 0 HB3 LYS A 48 7.357 -15.852 1.588 1.00 0.00 H new ATOM 0 HG2 LYS A 48 7.652 -18.078 1.273 1.00 0.00 H new ATOM 0 HG3 LYS A 48 7.167 -17.731 -0.375 1.00 0.00 H new ATOM 0 HD2 LYS A 48 9.345 -17.855 -1.201 1.00 0.00 H new ATOM 0 HD3 LYS A 48 10.071 -17.399 0.327 1.00 0.00 H new ATOM 0 HE2 LYS A 48 8.694 -20.062 -0.203 1.00 0.00 H new ATOM 0 HE3 LYS A 48 10.427 -19.809 -0.274 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 10.157 -20.560 1.856 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 10.072 -18.886 2.125 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 8.649 -19.810 2.071 1.00 0.00 H new ATOM 719 N GLY A 49 5.409 -15.380 -1.825 1.00 0.00 N ATOM 720 CA GLY A 49 3.993 -15.577 -2.072 1.00 0.00 C ATOM 721 C GLY A 49 3.218 -14.274 -2.084 1.00 0.00 C ATOM 722 O GLY A 49 2.442 -14.013 -3.004 1.00 0.00 O ATOM 0 H GLY A 49 5.975 -15.245 -2.663 1.00 0.00 H new ATOM 0 HA2 GLY A 49 3.861 -16.083 -3.029 1.00 0.00 H new ATOM 0 HA3 GLY A 49 3.582 -16.233 -1.305 1.00 0.00 H new ATOM 726 N ILE A 50 3.427 -13.454 -1.058 1.00 0.00 N ATOM 727 CA ILE A 50 2.742 -12.172 -0.952 1.00 0.00 C ATOM 728 C ILE A 50 3.563 -11.056 -1.591 1.00 0.00 C ATOM 729 O ILE A 50 4.758 -10.921 -1.329 1.00 0.00 O ATOM 730 CB ILE A 50 2.454 -11.814 0.520 1.00 0.00 C ATOM 731 CG1 ILE A 50 1.712 -12.962 1.207 1.00 0.00 C ATOM 732 CG2 ILE A 50 1.650 -10.522 0.611 1.00 0.00 C ATOM 733 CD1 ILE A 50 1.300 -12.656 2.631 1.00 0.00 C ATOM 0 H ILE A 50 4.066 -13.656 -0.289 1.00 0.00 H new ATOM 0 HA ILE A 50 1.796 -12.269 -1.485 1.00 0.00 H new ATOM 0 HB ILE A 50 3.403 -11.659 1.033 1.00 0.00 H new ATOM 0 HG12 ILE A 50 0.823 -13.207 0.626 1.00 0.00 H new ATOM 0 HG13 ILE A 50 2.348 -13.847 1.205 1.00 0.00 H new ATOM 0 HG21 ILE A 50 1.457 -10.287 1.658 1.00 0.00 H new ATOM 0 HG22 ILE A 50 2.215 -9.709 0.154 1.00 0.00 H new ATOM 0 HG23 ILE A 50 0.703 -10.645 0.086 1.00 0.00 H new ATOM 0 HD11 ILE A 50 0.780 -13.516 3.052 1.00 0.00 H new ATOM 0 HD12 ILE A 50 2.186 -12.440 3.228 1.00 0.00 H new ATOM 0 HD13 ILE A 50 0.637 -11.791 2.640 1.00 0.00 H new ATOM 745 N GLY A 51 2.910 -10.255 -2.427 1.00 0.00 N ATOM 746 CA GLY A 51 3.591 -9.158 -3.089 1.00 0.00 C ATOM 747 C GLY A 51 3.316 -7.826 -2.422 1.00 0.00 C ATOM 748 O GLY A 51 2.217 -7.283 -2.535 1.00 0.00 O ATOM 0 H GLY A 51 1.921 -10.346 -2.658 1.00 0.00 H new ATOM 0 HA2 GLY A 51 4.665 -9.347 -3.090 1.00 0.00 H new ATOM 0 HA3 GLY A 51 3.275 -9.112 -4.131 1.00 0.00 H new ATOM 752 N ILE A 52 4.314 -7.299 -1.720 1.00 0.00 N ATOM 753 CA ILE A 52 4.170 -6.024 -1.027 1.00 0.00 C ATOM 754 C ILE A 52 5.210 -5.014 -1.502 1.00 0.00 C ATOM 755 O ILE A 52 6.386 -5.105 -1.150 1.00 0.00 O ATOM 756 CB ILE A 52 4.294 -6.203 0.500 1.00 0.00 C ATOM 757 CG1 ILE A 52 4.072 -4.868 1.216 1.00 0.00 C ATOM 758 CG2 ILE A 52 5.653 -6.790 0.861 1.00 0.00 C ATOM 759 CD1 ILE A 52 3.773 -5.017 2.691 1.00 0.00 C ATOM 0 H ILE A 52 5.230 -7.735 -1.616 1.00 0.00 H new ATOM 0 HA ILE A 52 3.175 -5.645 -1.262 1.00 0.00 H new ATOM 0 HB ILE A 52 3.523 -6.900 0.830 1.00 0.00 H new ATOM 0 HG12 ILE A 52 4.960 -4.247 1.094 1.00 0.00 H new ATOM 0 HG13 ILE A 52 3.247 -4.341 0.737 1.00 0.00 H new ATOM 0 HG21 ILE A 52 5.722 -6.909 1.942 1.00 0.00 H new ATOM 0 HG22 ILE A 52 5.769 -7.762 0.381 1.00 0.00 H new ATOM 0 HG23 ILE A 52 6.441 -6.120 0.519 1.00 0.00 H new ATOM 0 HD11 ILE A 52 3.627 -4.032 3.134 1.00 0.00 H new ATOM 0 HD12 ILE A 52 2.868 -5.611 2.821 1.00 0.00 H new ATOM 0 HD13 ILE A 52 4.608 -5.516 3.183 1.00 0.00 H new ATOM 771 N ASN A 53 4.768 -4.046 -2.299 1.00 0.00 N ATOM 772 CA ASN A 53 5.657 -3.015 -2.815 1.00 0.00 C ATOM 773 C ASN A 53 5.496 -1.722 -2.026 1.00 0.00 C ATOM 774 O ASN A 53 4.703 -1.654 -1.087 1.00 0.00 O ATOM 775 CB ASN A 53 5.370 -2.760 -4.293 1.00 0.00 C ATOM 776 CG ASN A 53 6.125 -3.710 -5.203 1.00 0.00 C ATOM 777 OD1 ASN A 53 5.922 -4.924 -5.158 1.00 0.00 O ATOM 778 ND2 ASN A 53 7.001 -3.161 -6.036 1.00 0.00 N ATOM 0 H ASN A 53 3.798 -3.955 -2.601 1.00 0.00 H new ATOM 0 HA ASN A 53 6.684 -3.364 -2.707 1.00 0.00 H new ATOM 0 HB2 ASN A 53 4.300 -2.861 -4.475 1.00 0.00 H new ATOM 0 HB3 ASN A 53 5.640 -1.733 -4.540 1.00 0.00 H new ATOM 0 HD21 ASN A 53 7.538 -3.750 -6.673 1.00 0.00 H new ATOM 0 HD22 ASN A 53 7.137 -2.150 -6.039 1.00 0.00 H new ATOM 785 N CYS A 54 6.250 -0.700 -2.413 1.00 0.00 N ATOM 786 CA CYS A 54 6.190 0.593 -1.739 1.00 0.00 C ATOM 787 C CYS A 54 6.591 1.722 -2.684 1.00 0.00 C ATOM 788 O CYS A 54 7.507 1.573 -3.493 1.00 0.00 O ATOM 789 CB CYS A 54 7.107 0.599 -0.513 1.00 0.00 C ATOM 790 SG CYS A 54 6.693 -0.660 0.738 1.00 0.00 S ATOM 0 H CYS A 54 6.910 -0.741 -3.190 1.00 0.00 H new ATOM 0 HA CYS A 54 5.161 0.755 -1.419 1.00 0.00 H new ATOM 0 HB2 CYS A 54 8.135 0.444 -0.842 1.00 0.00 H new ATOM 0 HB3 CYS A 54 7.066 1.584 -0.048 1.00 0.00 H new ATOM 795 N CYS A 55 5.902 2.854 -2.570 1.00 0.00 N ATOM 796 CA CYS A 55 6.192 4.013 -3.408 1.00 0.00 C ATOM 797 C CYS A 55 6.273 5.281 -2.565 1.00 0.00 C ATOM 798 O CYS A 55 5.938 5.273 -1.381 1.00 0.00 O ATOM 799 CB CYS A 55 5.126 4.173 -4.495 1.00 0.00 C ATOM 800 SG CYS A 55 3.416 3.912 -3.916 1.00 0.00 S ATOM 0 H CYS A 55 5.140 2.993 -1.906 1.00 0.00 H new ATOM 0 HA CYS A 55 7.158 3.850 -3.886 1.00 0.00 H new ATOM 0 HB2 CYS A 55 5.204 5.174 -4.919 1.00 0.00 H new ATOM 0 HB3 CYS A 55 5.336 3.468 -5.300 1.00 0.00 H new ATOM 805 N THR A 56 6.726 6.369 -3.181 1.00 0.00 N ATOM 806 CA THR A 56 6.855 7.642 -2.480 1.00 0.00 C ATOM 807 C THR A 56 6.384 8.801 -3.353 1.00 0.00 C ATOM 808 O THR A 56 7.084 9.801 -3.507 1.00 0.00 O ATOM 809 CB THR A 56 8.307 7.864 -2.055 1.00 0.00 C ATOM 810 OG1 THR A 56 8.470 9.148 -1.479 1.00 0.00 O ATOM 811 CG2 THR A 56 9.290 7.746 -3.199 1.00 0.00 C ATOM 0 H THR A 56 7.009 6.395 -4.161 1.00 0.00 H new ATOM 0 HA THR A 56 6.223 7.605 -1.593 1.00 0.00 H new ATOM 0 HB THR A 56 8.520 7.077 -1.332 1.00 0.00 H new ATOM 0 HG1 THR A 56 8.233 9.834 -2.137 1.00 0.00 H new ATOM 0 HG21 THR A 56 10.301 7.915 -2.829 1.00 0.00 H new ATOM 0 HG22 THR A 56 9.224 6.749 -3.634 1.00 0.00 H new ATOM 0 HG23 THR A 56 9.054 8.490 -3.960 1.00 0.00 H new ATOM 819 N THR A 57 5.191 8.661 -3.921 1.00 0.00 N ATOM 820 CA THR A 57 4.625 9.699 -4.775 1.00 0.00 C ATOM 821 C THR A 57 3.136 9.876 -4.499 1.00 0.00 C ATOM 822 O THR A 57 2.442 8.922 -4.148 1.00 0.00 O ATOM 823 CB THR A 57 4.850 9.358 -6.248 1.00 0.00 C ATOM 824 OG1 THR A 57 5.039 7.964 -6.419 1.00 0.00 O ATOM 825 CG2 THR A 57 6.048 10.060 -6.848 1.00 0.00 C ATOM 0 H THR A 57 4.598 7.839 -3.806 1.00 0.00 H new ATOM 0 HA THR A 57 5.131 10.638 -4.549 1.00 0.00 H new ATOM 0 HB THR A 57 3.952 9.700 -6.763 1.00 0.00 H new ATOM 0 HG1 THR A 57 5.180 7.767 -7.369 1.00 0.00 H new ATOM 0 HG21 THR A 57 6.151 9.774 -7.895 1.00 0.00 H new ATOM 0 HG22 THR A 57 5.910 11.139 -6.778 1.00 0.00 H new ATOM 0 HG23 THR A 57 6.948 9.773 -6.304 1.00 0.00 H new ATOM 833 N ASP A 58 2.650 11.102 -4.661 1.00 0.00 N ATOM 834 CA ASP A 58 1.246 11.408 -4.431 1.00 0.00 C ATOM 835 C ASP A 58 0.347 10.523 -5.289 1.00 0.00 C ATOM 836 O ASP A 58 0.443 10.529 -6.516 1.00 0.00 O ATOM 837 CB ASP A 58 0.975 12.881 -4.735 1.00 0.00 C ATOM 838 CG ASP A 58 1.594 13.328 -6.045 1.00 0.00 C ATOM 839 OD1 ASP A 58 2.830 13.213 -6.187 1.00 0.00 O ATOM 840 OD2 ASP A 58 0.844 13.794 -6.927 1.00 0.00 O ATOM 0 H ASP A 58 3.212 11.902 -4.952 1.00 0.00 H new ATOM 0 HA ASP A 58 1.020 11.210 -3.383 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -0.101 13.049 -4.770 1.00 0.00 H new ATOM 0 HB3 ASP A 58 1.368 13.494 -3.924 1.00 0.00 H new ATOM 845 N ARG A 59 -0.525 9.763 -4.636 1.00 0.00 N ATOM 846 CA ARG A 59 -1.439 8.871 -5.339 1.00 0.00 C ATOM 847 C ARG A 59 -0.666 7.830 -6.142 1.00 0.00 C ATOM 848 O ARG A 59 -1.055 7.474 -7.255 1.00 0.00 O ATOM 849 CB ARG A 59 -2.355 9.674 -6.265 1.00 0.00 C ATOM 850 CG ARG A 59 -3.223 10.685 -5.534 1.00 0.00 C ATOM 851 CD ARG A 59 -4.149 11.419 -6.489 1.00 0.00 C ATOM 852 NE ARG A 59 -5.394 11.820 -5.840 1.00 0.00 N ATOM 853 CZ ARG A 59 -6.206 12.764 -6.313 1.00 0.00 C ATOM 854 NH1 ARG A 59 -5.909 13.403 -7.436 1.00 0.00 N ATOM 855 NH2 ARG A 59 -7.318 13.067 -5.659 1.00 0.00 N ATOM 0 H ARG A 59 -0.618 9.747 -3.620 1.00 0.00 H new ATOM 0 HA ARG A 59 -2.049 8.353 -4.599 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -1.745 10.197 -7.002 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -2.997 8.985 -6.814 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -3.814 10.176 -4.773 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -2.588 11.404 -5.017 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -3.642 12.302 -6.879 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -4.374 10.778 -7.341 1.00 0.00 H new ATOM 0 HE ARG A 59 -5.657 11.350 -4.974 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -5.054 13.173 -7.943 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -6.535 14.125 -7.793 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -7.551 12.578 -4.795 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -7.941 13.790 -6.020 1.00 0.00 H new ATOM 869 N CYS A 60 0.434 7.350 -5.572 1.00 0.00 N ATOM 870 CA CYS A 60 1.268 6.357 -6.228 1.00 0.00 C ATOM 871 C CYS A 60 0.638 4.965 -6.175 1.00 0.00 C ATOM 872 O CYS A 60 1.160 4.020 -6.766 1.00 0.00 O ATOM 873 CB CYS A 60 2.647 6.334 -5.574 1.00 0.00 C ATOM 874 SG CYS A 60 2.644 5.788 -3.835 1.00 0.00 S ATOM 0 H CYS A 60 0.768 7.636 -4.652 1.00 0.00 H new ATOM 0 HA CYS A 60 1.363 6.635 -7.278 1.00 0.00 H new ATOM 0 HB2 CYS A 60 3.298 5.675 -6.148 1.00 0.00 H new ATOM 0 HB3 CYS A 60 3.078 7.334 -5.628 1.00 0.00 H new ATOM 879 N ASN A 61 -0.485 4.839 -5.470 1.00 0.00 N ATOM 880 CA ASN A 61 -1.169 3.556 -5.353 1.00 0.00 C ATOM 881 C ASN A 61 -2.624 3.671 -5.805 1.00 0.00 C ATOM 882 O ASN A 61 -3.548 3.411 -5.034 1.00 0.00 O ATOM 883 CB ASN A 61 -1.099 3.043 -3.912 1.00 0.00 C ATOM 884 CG ASN A 61 -1.874 3.916 -2.943 1.00 0.00 C ATOM 885 OD1 ASN A 61 -2.521 4.884 -3.340 1.00 0.00 O ATOM 886 ND2 ASN A 61 -1.805 3.577 -1.661 1.00 0.00 N ATOM 0 H ASN A 61 -0.937 5.607 -4.974 1.00 0.00 H new ATOM 0 HA ASN A 61 -0.665 2.842 -6.004 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -1.491 2.027 -3.873 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -0.056 2.995 -3.598 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -2.301 4.128 -0.960 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -1.256 2.766 -1.377 1.00 0.00 H new ATOM 893 N ASN A 62 -2.818 4.062 -7.060 1.00 0.00 N ATOM 894 CA ASN A 62 -4.158 4.210 -7.617 1.00 0.00 C ATOM 895 C ASN A 62 -4.439 3.128 -8.653 1.00 0.00 C ATOM 896 O ASN A 62 -5.606 2.693 -8.750 1.00 0.00 O ATOM 897 CB ASN A 62 -4.319 5.594 -8.250 1.00 0.00 C ATOM 898 CG ASN A 62 -5.748 5.872 -8.673 1.00 0.00 C ATOM 899 OD1 ASN A 62 -6.014 6.186 -9.833 1.00 0.00 O ATOM 900 ND2 ASN A 62 -6.678 5.759 -7.731 1.00 0.00 N ATOM 901 OXT ASN A 62 -3.492 2.725 -9.359 1.00 0.00 O ATOM 0 H ASN A 62 -2.064 4.282 -7.711 1.00 0.00 H new ATOM 0 HA ASN A 62 -4.877 4.104 -6.804 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -3.999 6.355 -7.539 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -3.664 5.672 -9.118 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -7.657 5.935 -7.957 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -6.413 5.496 -6.782 1.00 0.00 H new