USER MOD reduce.3.24.130724 H: found=0, std=0, add=434, rem=0, adj=15 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 26 LYS NZ :NH3+ -123:sc= -0.0526 (180deg=-0.624) USER MOD Set 1.2: A 53 ASN : amide:sc= -1.93 K(o=-2,f=-7.9!) USER MOD Set 2.1: A 23 ASN : amide:sc= -0.967 K(o=-0.26,f=-3.1!) USER MOD Set 2.2: A 56 THR OG1 : rot -55:sc= 0.702 USER MOD Set 3.1: A 5 ASN : amide:sc= 0.0182 K(o=2,f=-14!) USER MOD Set 3.2: A 13 THR OG1 : rot 66:sc= 1.14 USER MOD Set 3.3: A 15 THR OG1 : rot -16:sc= 0.86 USER MOD Set 4.1: A 4 HIS : no HD1:sc= 0.181 K(o=-0.38,f=-9!) USER MOD Set 4.2: A 62 ASN : amide:sc= -0.566 K(o=-0.38,f=-4!) USER MOD Single : A 1 LEU N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 GLN : amide:sc= -5.23 K(o=-5.2,f=-12!) USER MOD Single : A 7 GLN : amide:sc= -1.83 K(o=-1.8,f=-7.7!) USER MOD Single : A 8 SER OG : rot -69:sc= 1.02 USER MOD Single : A 9 SER OG : rot 180:sc= 0.00303 USER MOD Single : A 10 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0.0876 USER MOD Single : A 14 THR OG1 : rot 14:sc= 0.693! USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 22 ASN : amide:sc= -0.0673 K(o=-0.067,f=-0.88!) USER MOD Single : A 25 TYR OH : rot 50:sc= 1.2 USER MOD Single : A 27 LYS NZ :NH3+ -156:sc= 0 (180deg=-0.309) USER MOD Single : A 32 ASN : amide:sc= -0.0292 K(o=-0.029,f=-0.59) USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 THR OG1 : rot -26:sc= -0.265 USER MOD Single : A 45 SER OG : rot 44:sc= 1.12 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 57 THR OG1 : rot 180:sc= -1.09 USER MOD Single : A 61 ASN : amide:sc= -2.87 K(o=-2.9,f=-9.4!) USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 1.305 14.824 1.370 1.00 0.00 N ATOM 2 CA LEU A 1 1.182 13.489 0.727 1.00 0.00 C ATOM 3 C LEU A 1 -0.255 12.980 0.781 1.00 0.00 C ATOM 4 O LEU A 1 -0.947 13.152 1.784 1.00 0.00 O ATOM 5 CB LEU A 1 2.115 12.514 1.448 1.00 0.00 C ATOM 6 CG LEU A 1 2.522 11.284 0.635 1.00 0.00 C ATOM 7 CD1 LEU A 1 3.791 11.562 -0.155 1.00 0.00 C ATOM 8 CD2 LEU A 1 2.712 10.081 1.547 1.00 0.00 C ATOM 0 H1 LEU A 1 2.293 15.145 1.318 1.00 0.00 H new ATOM 0 H2 LEU A 1 0.694 15.505 0.876 1.00 0.00 H new ATOM 0 H3 LEU A 1 1.014 14.758 2.366 1.00 0.00 H new ATOM 0 HA LEU A 1 1.461 13.571 -0.323 1.00 0.00 H new ATOM 0 HB2 LEU A 1 3.017 13.050 1.743 1.00 0.00 H new ATOM 0 HB3 LEU A 1 1.628 12.180 2.364 1.00 0.00 H new ATOM 0 HG LEU A 1 1.722 11.058 -0.070 1.00 0.00 H new ATOM 0 HD11 LEU A 1 4.065 10.676 -0.727 1.00 0.00 H new ATOM 0 HD12 LEU A 1 3.620 12.395 -0.837 1.00 0.00 H new ATOM 0 HD13 LEU A 1 4.599 11.815 0.532 1.00 0.00 H new ATOM 0 HD21 LEU A 1 3.001 9.215 0.952 1.00 0.00 H new ATOM 0 HD22 LEU A 1 3.493 10.297 2.276 1.00 0.00 H new ATOM 0 HD23 LEU A 1 1.778 9.868 2.067 1.00 0.00 H new ATOM 22 N GLU A 2 -0.696 12.353 -0.304 1.00 0.00 N ATOM 23 CA GLU A 2 -2.050 11.817 -0.383 1.00 0.00 C ATOM 24 C GLU A 2 -2.064 10.490 -1.132 1.00 0.00 C ATOM 25 O GLU A 2 -1.691 10.422 -2.303 1.00 0.00 O ATOM 26 CB GLU A 2 -2.977 12.818 -1.074 1.00 0.00 C ATOM 27 CG GLU A 2 -4.451 12.573 -0.798 1.00 0.00 C ATOM 28 CD GLU A 2 -5.232 13.858 -0.615 1.00 0.00 C ATOM 29 OE1 GLU A 2 -4.837 14.883 -1.210 1.00 0.00 O ATOM 30 OE2 GLU A 2 -6.238 13.842 0.125 1.00 0.00 O ATOM 0 H GLU A 2 -0.135 12.203 -1.142 1.00 0.00 H new ATOM 0 HA GLU A 2 -2.407 11.644 0.632 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -2.718 13.825 -0.748 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -2.806 12.777 -2.150 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -4.882 12.005 -1.623 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -4.552 11.960 0.098 1.00 0.00 H new ATOM 37 N CYS A 3 -2.496 9.434 -0.448 1.00 0.00 N ATOM 38 CA CYS A 3 -2.556 8.108 -1.051 1.00 0.00 C ATOM 39 C CYS A 3 -3.925 7.470 -0.836 1.00 0.00 C ATOM 40 O CYS A 3 -4.834 8.094 -0.290 1.00 0.00 O ATOM 41 CB CYS A 3 -1.467 7.209 -0.465 1.00 0.00 C ATOM 42 SG CYS A 3 0.070 7.172 -1.442 1.00 0.00 S ATOM 0 H CYS A 3 -2.809 9.472 0.522 1.00 0.00 H new ATOM 0 HA CYS A 3 -2.392 8.218 -2.123 1.00 0.00 H new ATOM 0 HB2 CYS A 3 -1.235 7.548 0.545 1.00 0.00 H new ATOM 0 HB3 CYS A 3 -1.855 6.194 -0.379 1.00 0.00 H new ATOM 47 N HIS A 4 -4.061 6.221 -1.271 1.00 0.00 N ATOM 48 CA HIS A 4 -5.314 5.493 -1.131 1.00 0.00 C ATOM 49 C HIS A 4 -5.371 4.763 0.207 1.00 0.00 C ATOM 50 O HIS A 4 -4.398 4.135 0.624 1.00 0.00 O ATOM 51 CB HIS A 4 -5.466 4.495 -2.278 1.00 0.00 C ATOM 52 CG HIS A 4 -5.969 5.113 -3.545 1.00 0.00 C ATOM 53 ND1 HIS A 4 -7.301 5.393 -3.771 1.00 0.00 N ATOM 54 CD2 HIS A 4 -5.309 5.508 -4.661 1.00 0.00 C ATOM 55 CE1 HIS A 4 -7.439 5.932 -4.969 1.00 0.00 C ATOM 56 NE2 HIS A 4 -6.245 6.013 -5.529 1.00 0.00 N ATOM 0 H HIS A 4 -3.316 5.692 -1.724 1.00 0.00 H new ATOM 0 HA HIS A 4 -6.135 6.209 -1.165 1.00 0.00 H new ATOM 0 HB2 HIS A 4 -4.501 4.025 -2.470 1.00 0.00 H new ATOM 0 HB3 HIS A 4 -6.151 3.704 -1.972 1.00 0.00 H new ATOM 0 HD2 HIS A 4 -4.245 5.438 -4.835 1.00 0.00 H new ATOM 0 HE1 HIS A 4 -8.369 6.252 -5.415 1.00 0.00 H new ATOM 0 HE2 HIS A 4 -6.050 6.390 -6.457 1.00 0.00 H new ATOM 65 N ASN A 5 -6.516 4.849 0.875 1.00 0.00 N ATOM 66 CA ASN A 5 -6.698 4.194 2.165 1.00 0.00 C ATOM 67 C ASN A 5 -7.490 2.899 2.012 1.00 0.00 C ATOM 68 O ASN A 5 -7.326 1.964 2.796 1.00 0.00 O ATOM 69 CB ASN A 5 -7.414 5.130 3.139 1.00 0.00 C ATOM 70 CG ASN A 5 -8.750 5.597 2.621 1.00 0.00 C ATOM 71 OD1 ASN A 5 -9.160 5.254 1.513 1.00 0.00 O ATOM 72 ND2 ASN A 5 -9.435 6.389 3.428 1.00 0.00 N ATOM 0 H ASN A 5 -7.331 5.365 0.545 1.00 0.00 H new ATOM 0 HA ASN A 5 -5.713 3.951 2.562 1.00 0.00 H new ATOM 0 HB2 ASN A 5 -7.557 4.618 4.090 1.00 0.00 H new ATOM 0 HB3 ASN A 5 -6.782 5.996 3.335 1.00 0.00 H new ATOM 0 HD21 ASN A 5 -10.347 6.744 3.141 1.00 0.00 H new ATOM 0 HD22 ASN A 5 -9.052 6.645 4.338 1.00 0.00 H new ATOM 79 N GLN A 6 -8.351 2.852 1.001 1.00 0.00 N ATOM 80 CA GLN A 6 -9.170 1.673 0.746 1.00 0.00 C ATOM 81 C GLN A 6 -8.301 0.444 0.499 1.00 0.00 C ATOM 82 O GLN A 6 -7.128 0.559 0.142 1.00 0.00 O ATOM 83 CB GLN A 6 -10.082 1.913 -0.458 1.00 0.00 C ATOM 84 CG GLN A 6 -11.207 0.898 -0.585 1.00 0.00 C ATOM 85 CD GLN A 6 -10.960 -0.107 -1.694 1.00 0.00 C ATOM 86 OE1 GLN A 6 -10.141 -1.015 -1.553 1.00 0.00 O ATOM 87 NE2 GLN A 6 -11.669 0.050 -2.805 1.00 0.00 N ATOM 0 H GLN A 6 -8.500 3.618 0.344 1.00 0.00 H new ATOM 0 HA GLN A 6 -9.781 1.491 1.630 1.00 0.00 H new ATOM 0 HB2 GLN A 6 -10.512 2.912 -0.383 1.00 0.00 H new ATOM 0 HB3 GLN A 6 -9.481 1.892 -1.367 1.00 0.00 H new ATOM 0 HG2 GLN A 6 -11.323 0.369 0.361 1.00 0.00 H new ATOM 0 HG3 GLN A 6 -12.144 1.421 -0.775 1.00 0.00 H new ATOM 0 HE21 GLN A 6 -12.337 0.817 -2.879 1.00 0.00 H new ATOM 0 HE22 GLN A 6 -11.545 -0.596 -3.584 1.00 0.00 H new ATOM 96 N GLN A 7 -8.891 -0.731 0.687 1.00 0.00 N ATOM 97 CA GLN A 7 -8.184 -1.989 0.483 1.00 0.00 C ATOM 98 C GLN A 7 -9.136 -3.056 -0.046 1.00 0.00 C ATOM 99 O GLN A 7 -10.310 -3.088 0.320 1.00 0.00 O ATOM 100 CB GLN A 7 -7.542 -2.462 1.789 1.00 0.00 C ATOM 101 CG GLN A 7 -8.535 -2.642 2.925 1.00 0.00 C ATOM 102 CD GLN A 7 -8.734 -1.375 3.732 1.00 0.00 C ATOM 103 OE1 GLN A 7 -8.336 -0.288 3.312 1.00 0.00 O ATOM 104 NE2 GLN A 7 -9.355 -1.507 4.899 1.00 0.00 N ATOM 0 H GLN A 7 -9.862 -0.838 0.982 1.00 0.00 H new ATOM 0 HA GLN A 7 -7.398 -1.823 -0.254 1.00 0.00 H new ATOM 0 HB2 GLN A 7 -7.031 -3.408 1.611 1.00 0.00 H new ATOM 0 HB3 GLN A 7 -6.782 -1.742 2.092 1.00 0.00 H new ATOM 0 HG2 GLN A 7 -9.494 -2.963 2.517 1.00 0.00 H new ATOM 0 HG3 GLN A 7 -8.187 -3.437 3.584 1.00 0.00 H new ATOM 0 HE21 GLN A 7 -9.668 -2.427 5.209 1.00 0.00 H new ATOM 0 HE22 GLN A 7 -9.518 -0.688 5.485 1.00 0.00 H new ATOM 113 N SER A 8 -8.628 -3.924 -0.915 1.00 0.00 N ATOM 114 CA SER A 8 -9.443 -4.985 -1.497 1.00 0.00 C ATOM 115 C SER A 8 -10.566 -4.391 -2.345 1.00 0.00 C ATOM 116 O SER A 8 -10.486 -3.242 -2.776 1.00 0.00 O ATOM 117 CB SER A 8 -10.018 -5.878 -0.392 1.00 0.00 C ATOM 118 OG SER A 8 -11.249 -5.368 0.092 1.00 0.00 O ATOM 0 H SER A 8 -7.658 -3.914 -1.231 1.00 0.00 H new ATOM 0 HA SER A 8 -8.812 -5.595 -2.143 1.00 0.00 H new ATOM 0 HB2 SER A 8 -10.166 -6.887 -0.777 1.00 0.00 H new ATOM 0 HB3 SER A 8 -9.304 -5.951 0.428 1.00 0.00 H new ATOM 0 HG SER A 8 -11.088 -4.536 0.584 1.00 0.00 H new ATOM 124 N SER A 9 -11.612 -5.179 -2.586 1.00 0.00 N ATOM 125 CA SER A 9 -12.745 -4.720 -3.386 1.00 0.00 C ATOM 126 C SER A 9 -13.808 -4.064 -2.508 1.00 0.00 C ATOM 127 O SER A 9 -14.997 -4.362 -2.629 1.00 0.00 O ATOM 128 CB SER A 9 -13.353 -5.890 -4.161 1.00 0.00 C ATOM 129 OG SER A 9 -12.427 -6.955 -4.291 1.00 0.00 O ATOM 0 H SER A 9 -11.698 -6.135 -2.240 1.00 0.00 H new ATOM 0 HA SER A 9 -12.380 -3.975 -4.093 1.00 0.00 H new ATOM 0 HB2 SER A 9 -14.248 -6.243 -3.649 1.00 0.00 H new ATOM 0 HB3 SER A 9 -13.664 -5.552 -5.150 1.00 0.00 H new ATOM 0 HG SER A 9 -12.842 -7.690 -4.789 1.00 0.00 H new ATOM 135 N GLN A 10 -13.375 -3.171 -1.623 1.00 0.00 N ATOM 136 CA GLN A 10 -14.288 -2.476 -0.727 1.00 0.00 C ATOM 137 C GLN A 10 -14.616 -1.082 -1.254 1.00 0.00 C ATOM 138 O GLN A 10 -14.096 -0.658 -2.285 1.00 0.00 O ATOM 139 CB GLN A 10 -13.671 -2.373 0.666 1.00 0.00 C ATOM 140 CG GLN A 10 -13.868 -3.620 1.512 1.00 0.00 C ATOM 141 CD GLN A 10 -14.587 -3.336 2.816 1.00 0.00 C ATOM 142 OE1 GLN A 10 -15.805 -3.486 2.912 1.00 0.00 O ATOM 143 NE2 GLN A 10 -13.834 -2.923 3.829 1.00 0.00 N ATOM 0 H GLN A 10 -12.395 -2.913 -1.509 1.00 0.00 H new ATOM 0 HA GLN A 10 -15.214 -3.048 -0.672 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -12.604 -2.176 0.568 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -14.107 -1.519 1.185 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -14.436 -4.355 0.941 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -12.897 -4.065 1.727 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -12.828 -2.813 3.705 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -14.262 -2.716 4.731 1.00 0.00 H new ATOM 152 N THR A 11 -15.487 -0.376 -0.539 1.00 0.00 N ATOM 153 CA THR A 11 -15.890 0.967 -0.929 1.00 0.00 C ATOM 154 C THR A 11 -14.678 1.894 -1.046 1.00 0.00 C ATOM 155 O THR A 11 -14.066 2.255 -0.041 1.00 0.00 O ATOM 156 CB THR A 11 -16.883 1.537 0.086 1.00 0.00 C ATOM 157 OG1 THR A 11 -16.668 0.974 1.368 1.00 0.00 O ATOM 158 CG2 THR A 11 -18.328 1.289 -0.287 1.00 0.00 C ATOM 0 H THR A 11 -15.927 -0.715 0.316 1.00 0.00 H new ATOM 0 HA THR A 11 -16.370 0.904 -1.906 1.00 0.00 H new ATOM 0 HB THR A 11 -16.705 2.612 0.092 1.00 0.00 H new ATOM 0 HG1 THR A 11 -17.311 1.352 2.003 1.00 0.00 H new ATOM 0 HG21 THR A 11 -18.979 1.719 0.474 1.00 0.00 H new ATOM 0 HG22 THR A 11 -18.540 1.754 -1.250 1.00 0.00 H new ATOM 0 HG23 THR A 11 -18.507 0.216 -0.354 1.00 0.00 H new ATOM 166 N PRO A 12 -14.313 2.294 -2.278 1.00 0.00 N ATOM 167 CA PRO A 12 -13.167 3.183 -2.512 1.00 0.00 C ATOM 168 C PRO A 12 -13.258 4.471 -1.699 1.00 0.00 C ATOM 169 O PRO A 12 -14.345 5.009 -1.490 1.00 0.00 O ATOM 170 CB PRO A 12 -13.252 3.491 -4.010 1.00 0.00 C ATOM 171 CG PRO A 12 -14.000 2.343 -4.592 1.00 0.00 C ATOM 172 CD PRO A 12 -14.981 1.916 -3.537 1.00 0.00 C ATOM 0 HA PRO A 12 -12.227 2.721 -2.212 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -13.769 4.433 -4.191 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -12.260 3.582 -4.452 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -14.513 2.635 -5.508 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -13.325 1.527 -4.851 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -15.940 2.422 -3.651 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -15.179 0.845 -3.582 1.00 0.00 H new ATOM 180 N THR A 13 -12.108 4.961 -1.245 1.00 0.00 N ATOM 181 CA THR A 13 -12.058 6.187 -0.456 1.00 0.00 C ATOM 182 C THR A 13 -10.787 6.974 -0.755 1.00 0.00 C ATOM 183 O THR A 13 -9.994 6.589 -1.614 1.00 0.00 O ATOM 184 CB THR A 13 -12.134 5.862 1.037 1.00 0.00 C ATOM 185 OG1 THR A 13 -11.556 4.598 1.305 1.00 0.00 O ATOM 186 CG2 THR A 13 -13.549 5.843 1.573 1.00 0.00 C ATOM 0 H THR A 13 -11.199 4.528 -1.410 1.00 0.00 H new ATOM 0 HA THR A 13 -12.916 6.801 -0.729 1.00 0.00 H new ATOM 0 HB THR A 13 -11.584 6.661 1.535 1.00 0.00 H new ATOM 0 HG1 THR A 13 -10.595 4.631 1.115 1.00 0.00 H new ATOM 0 HG21 THR A 13 -13.532 5.606 2.637 1.00 0.00 H new ATOM 0 HG22 THR A 13 -14.007 6.821 1.426 1.00 0.00 H new ATOM 0 HG23 THR A 13 -14.129 5.088 1.043 1.00 0.00 H new ATOM 194 N THR A 14 -10.599 8.081 -0.040 1.00 0.00 N ATOM 195 CA THR A 14 -9.422 8.921 -0.232 1.00 0.00 C ATOM 196 C THR A 14 -9.028 9.615 1.069 1.00 0.00 C ATOM 197 O THR A 14 -9.817 10.361 1.649 1.00 0.00 O ATOM 198 CB THR A 14 -9.688 9.964 -1.318 1.00 0.00 C ATOM 199 OG1 THR A 14 -10.576 10.964 -0.849 1.00 0.00 O ATOM 200 CG2 THR A 14 -10.284 9.377 -2.579 1.00 0.00 C ATOM 0 H THR A 14 -11.245 8.415 0.675 1.00 0.00 H new ATOM 0 HA THR A 14 -8.597 8.281 -0.545 1.00 0.00 H new ATOM 0 HB THR A 14 -8.711 10.384 -1.558 1.00 0.00 H new ATOM 0 HG1 THR A 14 -10.658 10.898 0.125 1.00 0.00 H new ATOM 0 HG21 THR A 14 -10.448 10.171 -3.308 1.00 0.00 H new ATOM 0 HG22 THR A 14 -9.599 8.638 -2.995 1.00 0.00 H new ATOM 0 HG23 THR A 14 -11.235 8.899 -2.344 1.00 0.00 H new ATOM 208 N THR A 15 -7.804 9.363 1.519 1.00 0.00 N ATOM 209 CA THR A 15 -7.303 9.964 2.751 1.00 0.00 C ATOM 210 C THR A 15 -5.778 9.930 2.789 1.00 0.00 C ATOM 211 O THR A 15 -5.169 8.863 2.708 1.00 0.00 O ATOM 212 CB THR A 15 -7.875 9.235 3.968 1.00 0.00 C ATOM 213 OG1 THR A 15 -9.289 9.306 3.975 1.00 0.00 O ATOM 214 CG2 THR A 15 -7.381 9.790 5.287 1.00 0.00 C ATOM 0 H THR A 15 -7.140 8.747 1.050 1.00 0.00 H new ATOM 0 HA THR A 15 -7.626 11.005 2.778 1.00 0.00 H new ATOM 0 HB THR A 15 -7.531 8.205 3.875 1.00 0.00 H new ATOM 0 HG1 THR A 15 -9.584 10.007 3.357 1.00 0.00 H new ATOM 0 HG21 THR A 15 -7.826 9.227 6.108 1.00 0.00 H new ATOM 0 HG22 THR A 15 -6.295 9.704 5.334 1.00 0.00 H new ATOM 0 HG23 THR A 15 -7.666 10.839 5.370 1.00 0.00 H new ATOM 222 N GLY A 16 -5.166 11.104 2.907 1.00 0.00 N ATOM 223 CA GLY A 16 -3.727 11.191 2.945 1.00 0.00 C ATOM 224 C GLY A 16 -3.154 10.857 4.309 1.00 0.00 C ATOM 225 O GLY A 16 -3.887 10.470 5.220 1.00 0.00 O ATOM 0 H GLY A 16 -5.649 11.999 2.977 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -3.307 10.512 2.203 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -3.421 12.199 2.664 1.00 0.00 H new ATOM 229 N CYS A 17 -1.841 11.007 4.449 1.00 0.00 N ATOM 230 CA CYS A 17 -1.166 10.719 5.709 1.00 0.00 C ATOM 231 C CYS A 17 -0.618 11.997 6.336 1.00 0.00 C ATOM 232 O CYS A 17 -0.913 13.100 5.877 1.00 0.00 O ATOM 233 CB CYS A 17 -0.029 9.718 5.488 1.00 0.00 C ATOM 234 SG CYS A 17 -0.472 8.316 4.412 1.00 0.00 S ATOM 0 H CYS A 17 -1.222 11.327 3.704 1.00 0.00 H new ATOM 0 HA CYS A 17 -1.896 10.283 6.391 1.00 0.00 H new ATOM 0 HB2 CYS A 17 0.822 10.241 5.053 1.00 0.00 H new ATOM 0 HB3 CYS A 17 0.294 9.332 6.455 1.00 0.00 H new ATOM 239 N SER A 18 0.179 11.840 7.387 1.00 0.00 N ATOM 240 CA SER A 18 0.767 12.983 8.075 1.00 0.00 C ATOM 241 C SER A 18 1.736 12.527 9.161 1.00 0.00 C ATOM 242 O SER A 18 1.321 12.139 10.253 1.00 0.00 O ATOM 243 CB SER A 18 -0.330 13.855 8.689 1.00 0.00 C ATOM 244 OG SER A 18 0.136 15.172 8.924 1.00 0.00 O ATOM 0 H SER A 18 0.432 10.934 7.781 1.00 0.00 H new ATOM 0 HA SER A 18 1.321 13.569 7.342 1.00 0.00 H new ATOM 0 HB2 SER A 18 -1.191 13.885 8.022 1.00 0.00 H new ATOM 0 HB3 SER A 18 -0.668 13.413 9.626 1.00 0.00 H new ATOM 0 HG SER A 18 -0.585 15.709 9.315 1.00 0.00 H new ATOM 250 N GLY A 19 3.027 12.577 8.854 1.00 0.00 N ATOM 251 CA GLY A 19 4.033 12.166 9.816 1.00 0.00 C ATOM 252 C GLY A 19 5.291 11.638 9.156 1.00 0.00 C ATOM 253 O GLY A 19 5.530 11.881 7.973 1.00 0.00 O ATOM 0 H GLY A 19 3.395 12.894 7.957 1.00 0.00 H new ATOM 0 HA2 GLY A 19 4.289 13.013 10.452 1.00 0.00 H new ATOM 0 HA3 GLY A 19 3.617 11.395 10.464 1.00 0.00 H new ATOM 257 N GLY A 20 6.098 10.914 9.925 1.00 0.00 N ATOM 258 CA GLY A 20 7.330 10.360 9.403 1.00 0.00 C ATOM 259 C GLY A 20 7.117 9.495 8.173 1.00 0.00 C ATOM 260 O GLY A 20 8.053 9.251 7.413 1.00 0.00 O ATOM 0 H GLY A 20 5.917 10.701 10.906 1.00 0.00 H new ATOM 0 HA2 GLY A 20 8.011 11.174 9.155 1.00 0.00 H new ATOM 0 HA3 GLY A 20 7.812 9.766 10.179 1.00 0.00 H new ATOM 264 N GLU A 21 5.888 9.025 7.980 1.00 0.00 N ATOM 265 CA GLU A 21 5.567 8.179 6.836 1.00 0.00 C ATOM 266 C GLU A 21 5.371 9.014 5.574 1.00 0.00 C ATOM 267 O GLU A 21 4.508 9.890 5.525 1.00 0.00 O ATOM 268 CB GLU A 21 4.307 7.359 7.119 1.00 0.00 C ATOM 269 CG GLU A 21 4.380 5.934 6.598 1.00 0.00 C ATOM 270 CD GLU A 21 3.817 4.923 7.578 1.00 0.00 C ATOM 271 OE1 GLU A 21 2.605 4.995 7.875 1.00 0.00 O ATOM 272 OE2 GLU A 21 4.587 4.060 8.049 1.00 0.00 O ATOM 0 H GLU A 21 5.100 9.215 8.599 1.00 0.00 H new ATOM 0 HA GLU A 21 6.405 7.502 6.673 1.00 0.00 H new ATOM 0 HB2 GLU A 21 4.133 7.335 8.195 1.00 0.00 H new ATOM 0 HB3 GLU A 21 3.449 7.858 6.668 1.00 0.00 H new ATOM 0 HG2 GLU A 21 3.832 5.867 5.658 1.00 0.00 H new ATOM 0 HG3 GLU A 21 5.418 5.684 6.380 1.00 0.00 H new ATOM 279 N ASN A 22 6.180 8.736 4.557 1.00 0.00 N ATOM 280 CA ASN A 22 6.097 9.460 3.293 1.00 0.00 C ATOM 281 C ASN A 22 6.039 8.495 2.112 1.00 0.00 C ATOM 282 O ASN A 22 6.436 8.839 0.998 1.00 0.00 O ATOM 283 CB ASN A 22 7.295 10.399 3.141 1.00 0.00 C ATOM 284 CG ASN A 22 7.033 11.771 3.731 1.00 0.00 C ATOM 285 OD1 ASN A 22 6.028 11.985 4.409 1.00 0.00 O ATOM 286 ND2 ASN A 22 7.939 12.708 3.478 1.00 0.00 N ATOM 0 H ASN A 22 6.901 8.015 4.583 1.00 0.00 H new ATOM 0 HA ASN A 22 5.180 10.049 3.301 1.00 0.00 H new ATOM 0 HB2 ASN A 22 8.164 9.957 3.629 1.00 0.00 H new ATOM 0 HB3 ASN A 22 7.541 10.502 2.084 1.00 0.00 H new ATOM 0 HD21 ASN A 22 7.817 13.650 3.851 1.00 0.00 H new ATOM 0 HD22 ASN A 22 8.757 12.486 2.911 1.00 0.00 H new ATOM 293 N ASN A 23 5.543 7.287 2.361 1.00 0.00 N ATOM 294 CA ASN A 23 5.435 6.275 1.317 1.00 0.00 C ATOM 295 C ASN A 23 4.089 5.564 1.390 1.00 0.00 C ATOM 296 O ASN A 23 3.304 5.794 2.310 1.00 0.00 O ATOM 297 CB ASN A 23 6.570 5.258 1.447 1.00 0.00 C ATOM 298 CG ASN A 23 7.929 5.871 1.171 1.00 0.00 C ATOM 299 OD1 ASN A 23 8.066 6.746 0.316 1.00 0.00 O ATOM 300 ND2 ASN A 23 8.943 5.415 1.898 1.00 0.00 N ATOM 0 H ASN A 23 5.210 6.986 3.277 1.00 0.00 H new ATOM 0 HA ASN A 23 5.511 6.773 0.350 1.00 0.00 H new ATOM 0 HB2 ASN A 23 6.562 4.835 2.452 1.00 0.00 H new ATOM 0 HB3 ASN A 23 6.398 4.435 0.754 1.00 0.00 H new ATOM 0 HD21 ASN A 23 9.881 5.791 1.758 1.00 0.00 H new ATOM 0 HD22 ASN A 23 8.784 4.689 2.596 1.00 0.00 H new ATOM 307 N CYS A 24 3.825 4.698 0.416 1.00 0.00 N ATOM 308 CA CYS A 24 2.572 3.954 0.374 1.00 0.00 C ATOM 309 C CYS A 24 2.786 2.554 -0.190 1.00 0.00 C ATOM 310 O CYS A 24 3.197 2.392 -1.338 1.00 0.00 O ATOM 311 CB CYS A 24 1.536 4.701 -0.466 1.00 0.00 C ATOM 312 SG CYS A 24 1.458 6.490 -0.128 1.00 0.00 S ATOM 0 H CYS A 24 4.462 4.495 -0.354 1.00 0.00 H new ATOM 0 HA CYS A 24 2.203 3.862 1.395 1.00 0.00 H new ATOM 0 HB2 CYS A 24 1.762 4.551 -1.522 1.00 0.00 H new ATOM 0 HB3 CYS A 24 0.554 4.264 -0.285 1.00 0.00 H new ATOM 317 N TYR A 25 2.517 1.548 0.633 1.00 0.00 N ATOM 318 CA TYR A 25 2.687 0.170 0.238 1.00 0.00 C ATOM 319 C TYR A 25 1.450 -0.372 -0.475 1.00 0.00 C ATOM 320 O TYR A 25 0.392 0.257 -0.483 1.00 0.00 O ATOM 321 CB TYR A 25 3.005 -0.686 1.465 1.00 0.00 C ATOM 322 CG TYR A 25 1.805 -0.986 2.338 1.00 0.00 C ATOM 323 CD1 TYR A 25 1.314 -0.037 3.226 1.00 0.00 C ATOM 324 CD2 TYR A 25 1.164 -2.219 2.272 1.00 0.00 C ATOM 325 CE1 TYR A 25 0.219 -0.307 4.026 1.00 0.00 C ATOM 326 CE2 TYR A 25 0.068 -2.495 3.068 1.00 0.00 C ATOM 327 CZ TYR A 25 -0.400 -1.537 3.942 1.00 0.00 C ATOM 328 OH TYR A 25 -1.491 -1.808 4.735 1.00 0.00 O ATOM 0 H TYR A 25 2.177 1.671 1.587 1.00 0.00 H new ATOM 0 HA TYR A 25 3.518 0.124 -0.465 1.00 0.00 H new ATOM 0 HB2 TYR A 25 3.444 -1.627 1.134 1.00 0.00 H new ATOM 0 HB3 TYR A 25 3.759 -0.176 2.065 1.00 0.00 H new ATOM 0 HD1 TYR A 25 1.795 0.927 3.293 1.00 0.00 H new ATOM 0 HD2 TYR A 25 1.528 -2.972 1.589 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -0.150 0.441 4.713 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -0.419 -3.457 3.005 1.00 0.00 H new ATOM 0 HH TYR A 25 -2.143 -1.081 4.653 1.00 0.00 H new ATOM 338 N LYS A 26 1.600 -1.553 -1.063 1.00 0.00 N ATOM 339 CA LYS A 26 0.515 -2.214 -1.775 1.00 0.00 C ATOM 340 C LYS A 26 0.819 -3.703 -1.901 1.00 0.00 C ATOM 341 O LYS A 26 1.394 -4.147 -2.894 1.00 0.00 O ATOM 342 CB LYS A 26 0.328 -1.596 -3.162 1.00 0.00 C ATOM 343 CG LYS A 26 -0.893 -2.117 -3.900 1.00 0.00 C ATOM 344 CD LYS A 26 -0.770 -1.905 -5.400 1.00 0.00 C ATOM 345 CE LYS A 26 -0.631 -0.431 -5.746 1.00 0.00 C ATOM 346 NZ LYS A 26 0.793 -0.027 -5.895 1.00 0.00 N ATOM 0 H LYS A 26 2.475 -2.077 -1.059 1.00 0.00 H new ATOM 0 HA LYS A 26 -0.409 -2.081 -1.213 1.00 0.00 H new ATOM 0 HB2 LYS A 26 0.246 -0.514 -3.060 1.00 0.00 H new ATOM 0 HB3 LYS A 26 1.217 -1.794 -3.762 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -1.020 -3.179 -3.691 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -1.785 -1.611 -3.532 1.00 0.00 H new ATOM 0 HD2 LYS A 26 0.095 -2.451 -5.776 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -1.647 -2.316 -5.900 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -1.166 -0.224 -6.673 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -1.099 0.170 -4.967 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 1.003 0.752 -5.239 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 1.408 -0.837 -5.679 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 0.964 0.287 -6.871 1.00 0.00 H new ATOM 360 N LYS A 27 0.455 -4.464 -0.875 1.00 0.00 N ATOM 361 CA LYS A 27 0.717 -5.894 -0.855 1.00 0.00 C ATOM 362 C LYS A 27 -0.504 -6.702 -1.282 1.00 0.00 C ATOM 363 O LYS A 27 -1.582 -6.574 -0.703 1.00 0.00 O ATOM 364 CB LYS A 27 1.154 -6.315 0.547 1.00 0.00 C ATOM 365 CG LYS A 27 0.305 -5.717 1.656 1.00 0.00 C ATOM 366 CD LYS A 27 0.577 -6.390 2.991 1.00 0.00 C ATOM 367 CE LYS A 27 1.598 -5.616 3.809 1.00 0.00 C ATOM 368 NZ LYS A 27 2.587 -6.518 4.459 1.00 0.00 N ATOM 0 H LYS A 27 -0.023 -4.111 -0.046 1.00 0.00 H new ATOM 0 HA LYS A 27 1.514 -6.098 -1.570 1.00 0.00 H new ATOM 0 HB2 LYS A 27 1.117 -7.402 0.619 1.00 0.00 H new ATOM 0 HB3 LYS A 27 2.193 -6.021 0.698 1.00 0.00 H new ATOM 0 HG2 LYS A 27 0.510 -4.650 1.737 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -0.750 -5.821 1.404 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -0.353 -6.474 3.553 1.00 0.00 H new ATOM 0 HD3 LYS A 27 0.939 -7.404 2.821 1.00 0.00 H new ATOM 0 HE2 LYS A 27 2.120 -4.910 3.164 1.00 0.00 H new ATOM 0 HE3 LYS A 27 1.084 -5.031 4.572 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 2.991 -6.046 5.293 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 2.115 -7.397 4.753 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 3.347 -6.742 3.786 1.00 0.00 H new ATOM 382 N GLU A 28 -0.314 -7.549 -2.288 1.00 0.00 N ATOM 383 CA GLU A 28 -1.382 -8.402 -2.791 1.00 0.00 C ATOM 384 C GLU A 28 -1.009 -9.868 -2.597 1.00 0.00 C ATOM 385 O GLU A 28 0.141 -10.249 -2.804 1.00 0.00 O ATOM 386 CB GLU A 28 -1.650 -8.118 -4.272 1.00 0.00 C ATOM 387 CG GLU A 28 -0.461 -7.528 -5.016 1.00 0.00 C ATOM 388 CD GLU A 28 -0.828 -7.030 -6.400 1.00 0.00 C ATOM 389 OE1 GLU A 28 -1.454 -5.952 -6.495 1.00 0.00 O ATOM 390 OE2 GLU A 28 -0.493 -7.716 -7.387 1.00 0.00 O ATOM 0 H GLU A 28 0.576 -7.662 -2.773 1.00 0.00 H new ATOM 0 HA GLU A 28 -2.292 -8.187 -2.231 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -1.947 -9.046 -4.761 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -2.493 -7.431 -4.353 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -0.046 -6.704 -4.435 1.00 0.00 H new ATOM 0 HG3 GLU A 28 0.321 -8.283 -5.101 1.00 0.00 H new ATOM 397 N TRP A 29 -1.977 -10.680 -2.177 1.00 0.00 N ATOM 398 CA TRP A 29 -1.736 -12.101 -1.943 1.00 0.00 C ATOM 399 C TRP A 29 -3.042 -12.892 -1.920 1.00 0.00 C ATOM 400 O TRP A 29 -4.128 -12.317 -1.848 1.00 0.00 O ATOM 401 CB TRP A 29 -0.964 -12.296 -0.643 1.00 0.00 C ATOM 402 CG TRP A 29 -1.780 -12.066 0.591 1.00 0.00 C ATOM 403 CD1 TRP A 29 -2.090 -12.989 1.536 1.00 0.00 C ATOM 404 CD2 TRP A 29 -2.379 -10.834 1.015 1.00 0.00 C ATOM 405 NE1 TRP A 29 -2.855 -12.419 2.525 1.00 0.00 N ATOM 406 CE2 TRP A 29 -3.046 -11.093 2.228 1.00 0.00 C ATOM 407 CE3 TRP A 29 -2.419 -9.539 0.489 1.00 0.00 C ATOM 408 CZ2 TRP A 29 -3.743 -10.105 2.921 1.00 0.00 C ATOM 409 CZ3 TRP A 29 -3.111 -8.562 1.177 1.00 0.00 C ATOM 410 CH2 TRP A 29 -3.765 -8.847 2.382 1.00 0.00 C ATOM 0 H TRP A 29 -2.934 -10.378 -1.992 1.00 0.00 H new ATOM 0 HA TRP A 29 -1.136 -12.483 -2.769 1.00 0.00 H new ATOM 0 HB2 TRP A 29 -0.565 -13.310 -0.618 1.00 0.00 H new ATOM 0 HB3 TRP A 29 -0.111 -11.617 -0.634 1.00 0.00 H new ATOM 0 HD1 TRP A 29 -1.780 -14.023 1.514 1.00 0.00 H new ATOM 0 HE1 TRP A 29 -3.221 -12.902 3.345 1.00 0.00 H new ATOM 0 HE3 TRP A 29 -1.918 -9.307 -0.439 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 -4.248 -10.324 3.850 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 -3.149 -7.559 0.778 1.00 0.00 H new ATOM 0 HH2 TRP A 29 -4.297 -8.060 2.896 1.00 0.00 H new ATOM 421 N ARG A 30 -2.926 -14.216 -1.979 1.00 0.00 N ATOM 422 CA ARG A 30 -4.090 -15.091 -1.962 1.00 0.00 C ATOM 423 C ARG A 30 -4.109 -15.940 -0.694 1.00 0.00 C ATOM 424 O ARG A 30 -3.083 -16.117 -0.039 1.00 0.00 O ATOM 425 CB ARG A 30 -4.098 -15.998 -3.195 1.00 0.00 C ATOM 426 CG ARG A 30 -2.714 -16.339 -3.728 1.00 0.00 C ATOM 427 CD ARG A 30 -1.986 -17.307 -2.810 1.00 0.00 C ATOM 428 NE ARG A 30 -0.990 -18.098 -3.529 1.00 0.00 N ATOM 429 CZ ARG A 30 -0.496 -19.252 -3.084 1.00 0.00 C ATOM 430 NH1 ARG A 30 -0.896 -19.751 -1.922 1.00 0.00 N ATOM 431 NH2 ARG A 30 0.405 -19.908 -3.805 1.00 0.00 N ATOM 0 H ARG A 30 -2.033 -14.706 -2.039 1.00 0.00 H new ATOM 0 HA ARG A 30 -4.982 -14.465 -1.978 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -4.618 -16.924 -2.948 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -4.670 -15.512 -3.986 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -2.804 -16.777 -4.722 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -2.128 -15.426 -3.833 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -1.498 -16.751 -2.010 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -2.709 -17.974 -2.340 1.00 0.00 H new ATOM 0 HE ARG A 30 -0.653 -17.746 -4.425 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -1.587 -19.250 -1.363 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -0.513 -20.635 -1.588 1.00 0.00 H new ATOM 0 HH21 ARG A 30 0.718 -19.528 -4.698 1.00 0.00 H new ATOM 0 HH22 ARG A 30 0.784 -20.792 -3.466 1.00 0.00 H new ATOM 445 N ASP A 31 -5.283 -16.464 -0.354 1.00 0.00 N ATOM 446 CA ASP A 31 -5.433 -17.296 0.834 1.00 0.00 C ATOM 447 C ASP A 31 -5.980 -18.672 0.471 1.00 0.00 C ATOM 448 O ASP A 31 -5.422 -19.697 0.863 1.00 0.00 O ATOM 449 CB ASP A 31 -6.359 -16.617 1.848 1.00 0.00 C ATOM 450 CG ASP A 31 -7.631 -16.096 1.209 1.00 0.00 C ATOM 451 OD1 ASP A 31 -7.599 -14.984 0.641 1.00 0.00 O ATOM 452 OD2 ASP A 31 -8.661 -16.800 1.277 1.00 0.00 O ATOM 0 H ASP A 31 -6.143 -16.327 -0.884 1.00 0.00 H new ATOM 0 HA ASP A 31 -4.447 -17.423 1.282 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -6.615 -17.327 2.635 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -5.830 -15.791 2.324 1.00 0.00 H new ATOM 457 N ASN A 32 -7.075 -18.687 -0.282 1.00 0.00 N ATOM 458 CA ASN A 32 -7.699 -19.937 -0.701 1.00 0.00 C ATOM 459 C ASN A 32 -8.890 -19.667 -1.614 1.00 0.00 C ATOM 460 O ASN A 32 -8.834 -19.924 -2.817 1.00 0.00 O ATOM 461 CB ASN A 32 -8.146 -20.745 0.519 1.00 0.00 C ATOM 462 CG ASN A 32 -7.790 -22.214 0.400 1.00 0.00 C ATOM 463 OD1 ASN A 32 -7.733 -22.764 -0.700 1.00 0.00 O ATOM 464 ND2 ASN A 32 -7.545 -22.859 1.536 1.00 0.00 N ATOM 0 H ASN A 32 -7.549 -17.847 -0.615 1.00 0.00 H new ATOM 0 HA ASN A 32 -6.961 -20.516 -1.257 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -7.682 -20.333 1.415 1.00 0.00 H new ATOM 0 HB3 ASN A 32 -9.224 -20.644 0.643 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -7.298 -23.849 1.518 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -7.604 -22.364 2.426 1.00 0.00 H new ATOM 471 N ARG A 33 -9.966 -19.143 -1.037 1.00 0.00 N ATOM 472 CA ARG A 33 -11.167 -18.834 -1.796 1.00 0.00 C ATOM 473 C ARG A 33 -10.880 -17.775 -2.855 1.00 0.00 C ATOM 474 O ARG A 33 -11.414 -17.829 -3.963 1.00 0.00 O ATOM 475 CB ARG A 33 -12.267 -18.350 -0.856 1.00 0.00 C ATOM 476 CG ARG A 33 -11.828 -17.211 0.045 1.00 0.00 C ATOM 477 CD ARG A 33 -12.305 -17.409 1.474 1.00 0.00 C ATOM 478 NE ARG A 33 -11.454 -18.339 2.213 1.00 0.00 N ATOM 479 CZ ARG A 33 -11.412 -18.412 3.542 1.00 0.00 C ATOM 480 NH1 ARG A 33 -12.173 -17.615 4.281 1.00 0.00 N ATOM 481 NH2 ARG A 33 -10.610 -19.286 4.133 1.00 0.00 N ATOM 0 H ARG A 33 -10.028 -18.924 -0.043 1.00 0.00 H new ATOM 0 HA ARG A 33 -11.500 -19.741 -2.300 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -13.124 -18.027 -1.447 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -12.601 -19.184 -0.239 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -10.741 -17.135 0.032 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -12.218 -16.270 -0.342 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -12.321 -16.447 1.987 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -13.329 -17.783 1.466 1.00 0.00 H new ATOM 0 HE ARG A 33 -10.856 -18.970 1.679 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -12.794 -16.942 3.832 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -12.137 -17.675 5.299 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -10.025 -19.903 3.570 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -10.578 -19.342 5.151 1.00 0.00 H new ATOM 495 N GLY A 34 -10.034 -16.812 -2.504 1.00 0.00 N ATOM 496 CA GLY A 34 -9.687 -15.753 -3.434 1.00 0.00 C ATOM 497 C GLY A 34 -8.394 -15.054 -3.060 1.00 0.00 C ATOM 498 O GLY A 34 -7.473 -15.679 -2.532 1.00 0.00 O ATOM 0 H GLY A 34 -9.582 -16.746 -1.592 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -9.594 -16.170 -4.437 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -10.495 -15.022 -3.466 1.00 0.00 H new ATOM 502 N TYR A 35 -8.324 -13.755 -3.333 1.00 0.00 N ATOM 503 CA TYR A 35 -7.134 -12.972 -3.022 1.00 0.00 C ATOM 504 C TYR A 35 -7.509 -11.560 -2.584 1.00 0.00 C ATOM 505 O TYR A 35 -8.549 -11.033 -2.979 1.00 0.00 O ATOM 506 CB TYR A 35 -6.193 -12.911 -4.231 1.00 0.00 C ATOM 507 CG TYR A 35 -6.891 -13.062 -5.566 1.00 0.00 C ATOM 508 CD1 TYR A 35 -7.877 -12.167 -5.960 1.00 0.00 C ATOM 509 CD2 TYR A 35 -6.564 -14.099 -6.429 1.00 0.00 C ATOM 510 CE1 TYR A 35 -8.517 -12.302 -7.178 1.00 0.00 C ATOM 511 CE2 TYR A 35 -7.199 -14.240 -7.648 1.00 0.00 C ATOM 512 CZ TYR A 35 -8.174 -13.340 -8.018 1.00 0.00 C ATOM 513 OH TYR A 35 -8.809 -13.477 -9.230 1.00 0.00 O ATOM 0 H TYR A 35 -9.077 -13.223 -3.769 1.00 0.00 H new ATOM 0 HA TYR A 35 -6.618 -13.466 -2.199 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -5.662 -11.959 -4.217 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -5.443 -13.696 -4.134 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -8.148 -11.353 -5.305 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -5.801 -14.807 -6.143 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -9.282 -11.598 -7.470 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -6.932 -15.052 -8.308 1.00 0.00 H new ATOM 0 HH TYR A 35 -8.450 -14.258 -9.701 1.00 0.00 H new ATOM 523 N ARG A 36 -6.655 -10.954 -1.764 1.00 0.00 N ATOM 524 CA ARG A 36 -6.898 -9.603 -1.270 1.00 0.00 C ATOM 525 C ARG A 36 -5.675 -8.715 -1.484 1.00 0.00 C ATOM 526 O ARG A 36 -4.647 -9.164 -1.989 1.00 0.00 O ATOM 527 CB ARG A 36 -7.261 -9.638 0.215 1.00 0.00 C ATOM 528 CG ARG A 36 -8.581 -10.335 0.503 1.00 0.00 C ATOM 529 CD ARG A 36 -8.684 -10.751 1.961 1.00 0.00 C ATOM 530 NE ARG A 36 -10.069 -10.982 2.369 1.00 0.00 N ATOM 531 CZ ARG A 36 -10.746 -12.094 2.093 1.00 0.00 C ATOM 532 NH1 ARG A 36 -10.174 -13.075 1.406 1.00 0.00 N ATOM 533 NH2 ARG A 36 -12.001 -12.225 2.504 1.00 0.00 N ATOM 0 H ARG A 36 -5.790 -11.377 -1.428 1.00 0.00 H new ATOM 0 HA ARG A 36 -7.732 -9.184 -1.832 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -6.466 -10.143 0.763 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -7.309 -8.617 0.593 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -9.407 -9.669 0.254 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -8.677 -11.214 -0.135 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -8.103 -11.659 2.121 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -8.245 -9.977 2.591 1.00 0.00 H new ATOM 0 HE ARG A 36 -10.544 -10.249 2.896 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -9.210 -12.979 1.086 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -10.698 -13.925 1.198 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -12.446 -11.474 3.031 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -12.521 -13.077 2.293 1.00 0.00 H new ATOM 547 N THR A 37 -5.798 -7.450 -1.093 1.00 0.00 N ATOM 548 CA THR A 37 -4.708 -6.491 -1.237 1.00 0.00 C ATOM 549 C THR A 37 -4.910 -5.304 -0.301 1.00 0.00 C ATOM 550 O THR A 37 -5.953 -4.650 -0.333 1.00 0.00 O ATOM 551 CB THR A 37 -4.618 -6.006 -2.684 1.00 0.00 C ATOM 552 OG1 THR A 37 -4.617 -7.102 -3.582 1.00 0.00 O ATOM 553 CG2 THR A 37 -3.381 -5.180 -2.965 1.00 0.00 C ATOM 0 H THR A 37 -6.644 -7.065 -0.673 1.00 0.00 H new ATOM 0 HA THR A 37 -3.776 -6.989 -0.971 1.00 0.00 H new ATOM 0 HB THR A 37 -5.495 -5.376 -2.831 1.00 0.00 H new ATOM 0 HG1 THR A 37 -4.265 -7.896 -3.129 1.00 0.00 H new ATOM 0 HG21 THR A 37 -3.381 -4.869 -4.010 1.00 0.00 H new ATOM 0 HG22 THR A 37 -3.379 -4.299 -2.324 1.00 0.00 H new ATOM 0 HG23 THR A 37 -2.491 -5.777 -2.764 1.00 0.00 H new ATOM 561 N GLU A 38 -3.911 -5.026 0.534 1.00 0.00 N ATOM 562 CA GLU A 38 -3.994 -3.917 1.472 1.00 0.00 C ATOM 563 C GLU A 38 -2.955 -2.851 1.146 1.00 0.00 C ATOM 564 O GLU A 38 -1.882 -3.152 0.624 1.00 0.00 O ATOM 565 CB GLU A 38 -3.808 -4.403 2.913 1.00 0.00 C ATOM 566 CG GLU A 38 -2.985 -5.675 3.045 1.00 0.00 C ATOM 567 CD GLU A 38 -3.096 -6.299 4.422 1.00 0.00 C ATOM 568 OE1 GLU A 38 -4.229 -6.395 4.941 1.00 0.00 O ATOM 569 OE2 GLU A 38 -2.051 -6.690 4.983 1.00 0.00 O ATOM 0 H GLU A 38 -3.039 -5.553 0.578 1.00 0.00 H new ATOM 0 HA GLU A 38 -4.987 -3.478 1.377 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -3.329 -3.613 3.491 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -4.789 -4.572 3.356 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -3.313 -6.395 2.296 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -1.939 -5.451 2.835 1.00 0.00 H new ATOM 576 N ARG A 39 -3.286 -1.604 1.459 1.00 0.00 N ATOM 577 CA ARG A 39 -2.388 -0.486 1.202 1.00 0.00 C ATOM 578 C ARG A 39 -2.323 0.445 2.411 1.00 0.00 C ATOM 579 O ARG A 39 -2.750 0.082 3.507 1.00 0.00 O ATOM 580 CB ARG A 39 -2.850 0.294 -0.032 1.00 0.00 C ATOM 581 CG ARG A 39 -3.186 -0.587 -1.225 1.00 0.00 C ATOM 582 CD ARG A 39 -4.302 0.012 -2.066 1.00 0.00 C ATOM 583 NE ARG A 39 -4.450 -0.674 -3.347 1.00 0.00 N ATOM 584 CZ ARG A 39 -5.472 -0.481 -4.176 1.00 0.00 C ATOM 585 NH1 ARG A 39 -6.438 0.374 -3.864 1.00 0.00 N ATOM 586 NH2 ARG A 39 -5.530 -1.147 -5.322 1.00 0.00 N ATOM 0 H ARG A 39 -4.172 -1.342 1.892 1.00 0.00 H new ATOM 0 HA ARG A 39 -1.391 -0.886 1.017 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -3.728 0.884 0.231 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -2.068 0.997 -0.320 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -2.297 -0.721 -1.841 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -3.483 -1.576 -0.876 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -5.241 -0.043 -1.515 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -4.097 1.068 -2.242 1.00 0.00 H new ATOM 0 HE ARG A 39 -3.728 -1.340 -3.622 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -6.400 0.888 -2.984 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -7.219 0.517 -4.504 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -4.791 -1.806 -5.567 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -6.313 -1.000 -5.958 1.00 0.00 H new ATOM 600 N GLY A 40 -1.786 1.643 2.205 1.00 0.00 N ATOM 601 CA GLY A 40 -1.677 2.603 3.288 1.00 0.00 C ATOM 602 C GLY A 40 -0.393 3.405 3.220 1.00 0.00 C ATOM 603 O GLY A 40 0.115 3.683 2.134 1.00 0.00 O ATOM 0 H GLY A 40 -1.424 1.966 1.308 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -2.529 3.282 3.255 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -1.724 2.078 4.242 1.00 0.00 H new ATOM 607 N CYS A 41 0.134 3.776 4.382 1.00 0.00 N ATOM 608 CA CYS A 41 1.370 4.547 4.448 1.00 0.00 C ATOM 609 C CYS A 41 2.475 3.745 5.127 1.00 0.00 C ATOM 610 O CYS A 41 2.247 3.093 6.145 1.00 0.00 O ATOM 611 CB CYS A 41 1.137 5.864 5.192 1.00 0.00 C ATOM 612 SG CYS A 41 1.287 7.343 4.138 1.00 0.00 S ATOM 0 H CYS A 41 -0.275 3.556 5.290 1.00 0.00 H new ATOM 0 HA CYS A 41 1.686 4.770 3.429 1.00 0.00 H new ATOM 0 HB2 CYS A 41 0.143 5.847 5.638 1.00 0.00 H new ATOM 0 HB3 CYS A 41 1.853 5.939 6.011 1.00 0.00 H new ATOM 617 N GLY A 42 3.672 3.795 4.550 1.00 0.00 N ATOM 618 CA GLY A 42 4.795 3.065 5.108 1.00 0.00 C ATOM 619 C GLY A 42 5.035 1.748 4.395 1.00 0.00 C ATOM 620 O GLY A 42 4.139 1.224 3.733 1.00 0.00 O ATOM 0 H GLY A 42 3.884 4.328 3.706 1.00 0.00 H new ATOM 0 HA2 GLY A 42 5.693 3.679 5.044 1.00 0.00 H new ATOM 0 HA3 GLY A 42 4.613 2.875 6.166 1.00 0.00 H new ATOM 624 N CYS A 43 6.244 1.213 4.528 1.00 0.00 N ATOM 625 CA CYS A 43 6.595 -0.049 3.886 1.00 0.00 C ATOM 626 C CYS A 43 6.838 -1.143 4.924 1.00 0.00 C ATOM 627 O CYS A 43 7.955 -1.301 5.420 1.00 0.00 O ATOM 628 CB CYS A 43 7.839 0.128 3.015 1.00 0.00 C ATOM 629 SG CYS A 43 7.958 -1.059 1.638 1.00 0.00 S ATOM 0 H CYS A 43 6.997 1.633 5.074 1.00 0.00 H new ATOM 0 HA CYS A 43 5.758 -0.352 3.257 1.00 0.00 H new ATOM 0 HB2 CYS A 43 7.845 1.140 2.610 1.00 0.00 H new ATOM 0 HB3 CYS A 43 8.725 0.031 3.642 1.00 0.00 H new ATOM 634 N PRO A 44 5.794 -1.917 5.268 1.00 0.00 N ATOM 635 CA PRO A 44 5.904 -3.000 6.252 1.00 0.00 C ATOM 636 C PRO A 44 6.985 -4.008 5.883 1.00 0.00 C ATOM 637 O PRO A 44 7.819 -3.750 5.015 1.00 0.00 O ATOM 638 CB PRO A 44 4.523 -3.662 6.217 1.00 0.00 C ATOM 639 CG PRO A 44 3.608 -2.614 5.686 1.00 0.00 C ATOM 640 CD PRO A 44 4.427 -1.798 4.728 1.00 0.00 C ATOM 0 HA PRO A 44 6.185 -2.626 7.236 1.00 0.00 H new ATOM 0 HB2 PRO A 44 4.525 -4.545 5.578 1.00 0.00 H new ATOM 0 HB3 PRO A 44 4.216 -3.988 7.211 1.00 0.00 H new ATOM 0 HG2 PRO A 44 2.751 -3.062 5.183 1.00 0.00 H new ATOM 0 HG3 PRO A 44 3.216 -1.993 6.492 1.00 0.00 H new ATOM 0 HD2 PRO A 44 4.361 -2.184 3.711 1.00 0.00 H new ATOM 0 HD3 PRO A 44 4.095 -0.760 4.697 1.00 0.00 H new ATOM 648 N SER A 45 6.965 -5.160 6.545 1.00 0.00 N ATOM 649 CA SER A 45 7.944 -6.208 6.285 1.00 0.00 C ATOM 650 C SER A 45 7.366 -7.585 6.597 1.00 0.00 C ATOM 651 O SER A 45 7.405 -8.042 7.739 1.00 0.00 O ATOM 652 CB SER A 45 9.207 -5.972 7.116 1.00 0.00 C ATOM 653 OG SER A 45 8.928 -6.053 8.502 1.00 0.00 O ATOM 0 H SER A 45 6.281 -5.391 7.266 1.00 0.00 H new ATOM 0 HA SER A 45 8.201 -6.174 5.226 1.00 0.00 H new ATOM 0 HB2 SER A 45 9.964 -6.710 6.851 1.00 0.00 H new ATOM 0 HB3 SER A 45 9.622 -4.992 6.882 1.00 0.00 H new ATOM 0 HG SER A 45 8.348 -6.824 8.674 1.00 0.00 H new ATOM 659 N VAL A 46 6.828 -8.241 5.573 1.00 0.00 N ATOM 660 CA VAL A 46 6.240 -9.565 5.737 1.00 0.00 C ATOM 661 C VAL A 46 6.786 -10.538 4.694 1.00 0.00 C ATOM 662 O VAL A 46 7.769 -10.248 4.011 1.00 0.00 O ATOM 663 CB VAL A 46 4.694 -9.505 5.653 1.00 0.00 C ATOM 664 CG1 VAL A 46 4.200 -9.681 4.221 1.00 0.00 C ATOM 665 CG2 VAL A 46 4.064 -10.538 6.577 1.00 0.00 C ATOM 0 H VAL A 46 6.787 -7.877 4.621 1.00 0.00 H new ATOM 0 HA VAL A 46 6.516 -9.926 6.728 1.00 0.00 H new ATOM 0 HB VAL A 46 4.384 -8.514 5.984 1.00 0.00 H new ATOM 0 HG11 VAL A 46 3.111 -9.633 4.203 1.00 0.00 H new ATOM 0 HG12 VAL A 46 4.608 -8.888 3.595 1.00 0.00 H new ATOM 0 HG13 VAL A 46 4.527 -10.648 3.840 1.00 0.00 H new ATOM 0 HG21 VAL A 46 2.978 -10.479 6.502 1.00 0.00 H new ATOM 0 HG22 VAL A 46 4.394 -11.535 6.286 1.00 0.00 H new ATOM 0 HG23 VAL A 46 4.368 -10.341 7.605 1.00 0.00 H new ATOM 675 N LYS A 47 6.139 -11.689 4.579 1.00 0.00 N ATOM 676 CA LYS A 47 6.551 -12.708 3.621 1.00 0.00 C ATOM 677 C LYS A 47 6.049 -12.368 2.221 1.00 0.00 C ATOM 678 O LYS A 47 4.901 -11.961 2.045 1.00 0.00 O ATOM 679 CB LYS A 47 6.025 -14.081 4.046 1.00 0.00 C ATOM 680 CG LYS A 47 4.508 -14.166 4.084 1.00 0.00 C ATOM 681 CD LYS A 47 4.039 -15.465 4.719 1.00 0.00 C ATOM 682 CE LYS A 47 4.526 -15.593 6.153 1.00 0.00 C ATOM 683 NZ LYS A 47 3.657 -16.495 6.958 1.00 0.00 N ATOM 0 H LYS A 47 5.324 -11.942 5.138 1.00 0.00 H new ATOM 0 HA LYS A 47 7.640 -12.736 3.602 1.00 0.00 H new ATOM 0 HB2 LYS A 47 6.406 -14.836 3.358 1.00 0.00 H new ATOM 0 HB3 LYS A 47 6.419 -14.322 5.033 1.00 0.00 H new ATOM 0 HG2 LYS A 47 4.109 -13.321 4.645 1.00 0.00 H new ATOM 0 HG3 LYS A 47 4.113 -14.091 3.071 1.00 0.00 H new ATOM 0 HD2 LYS A 47 2.950 -15.509 4.698 1.00 0.00 H new ATOM 0 HD3 LYS A 47 4.403 -16.309 4.134 1.00 0.00 H new ATOM 0 HE2 LYS A 47 5.547 -15.975 6.157 1.00 0.00 H new ATOM 0 HE3 LYS A 47 4.553 -14.607 6.616 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 4.024 -16.555 7.929 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 2.688 -16.118 6.977 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 3.651 -17.443 6.531 1.00 0.00 H new ATOM 697 N LYS A 48 6.919 -12.531 1.231 1.00 0.00 N ATOM 698 CA LYS A 48 6.565 -12.237 -0.153 1.00 0.00 C ATOM 699 C LYS A 48 5.618 -13.294 -0.713 1.00 0.00 C ATOM 700 O LYS A 48 6.026 -14.420 -0.996 1.00 0.00 O ATOM 701 CB LYS A 48 7.824 -12.155 -1.018 1.00 0.00 C ATOM 702 CG LYS A 48 7.742 -11.106 -2.115 1.00 0.00 C ATOM 703 CD LYS A 48 8.634 -11.459 -3.294 1.00 0.00 C ATOM 704 CE LYS A 48 10.047 -10.928 -3.105 1.00 0.00 C ATOM 705 NZ LYS A 48 11.012 -12.016 -2.785 1.00 0.00 N ATOM 0 H LYS A 48 7.874 -12.865 1.361 1.00 0.00 H new ATOM 0 HA LYS A 48 6.055 -11.274 -0.172 1.00 0.00 H new ATOM 0 HB2 LYS A 48 8.680 -11.935 -0.380 1.00 0.00 H new ATOM 0 HB3 LYS A 48 8.007 -13.129 -1.471 1.00 0.00 H new ATOM 0 HG2 LYS A 48 6.710 -11.013 -2.454 1.00 0.00 H new ATOM 0 HG3 LYS A 48 8.035 -10.136 -1.714 1.00 0.00 H new ATOM 0 HD2 LYS A 48 8.665 -12.542 -3.417 1.00 0.00 H new ATOM 0 HD3 LYS A 48 8.209 -11.047 -4.209 1.00 0.00 H new ATOM 0 HE2 LYS A 48 10.366 -10.415 -4.012 1.00 0.00 H new ATOM 0 HE3 LYS A 48 10.053 -10.190 -2.303 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 11.963 -11.612 -2.664 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 10.722 -12.489 -1.905 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 11.026 -12.707 -3.562 1.00 0.00 H new ATOM 719 N GLY A 49 4.352 -12.920 -0.876 1.00 0.00 N ATOM 720 CA GLY A 49 3.368 -13.844 -1.407 1.00 0.00 C ATOM 721 C GLY A 49 3.063 -13.580 -2.869 1.00 0.00 C ATOM 722 O GLY A 49 3.913 -13.790 -3.734 1.00 0.00 O ATOM 0 H GLY A 49 3.991 -11.993 -0.650 1.00 0.00 H new ATOM 0 HA2 GLY A 49 3.732 -14.865 -1.292 1.00 0.00 H new ATOM 0 HA3 GLY A 49 2.449 -13.766 -0.826 1.00 0.00 H new ATOM 726 N ILE A 50 1.849 -13.115 -3.144 1.00 0.00 N ATOM 727 CA ILE A 50 1.437 -12.820 -4.508 1.00 0.00 C ATOM 728 C ILE A 50 2.364 -11.786 -5.147 1.00 0.00 C ATOM 729 O ILE A 50 2.844 -11.969 -6.265 1.00 0.00 O ATOM 730 CB ILE A 50 -0.021 -12.326 -4.543 1.00 0.00 C ATOM 731 CG1 ILE A 50 -0.953 -13.451 -5.022 1.00 0.00 C ATOM 732 CG2 ILE A 50 -0.187 -11.065 -5.377 1.00 0.00 C ATOM 733 CD1 ILE A 50 -1.634 -13.185 -6.350 1.00 0.00 C ATOM 0 H ILE A 50 1.134 -12.935 -2.439 1.00 0.00 H new ATOM 0 HA ILE A 50 1.504 -13.743 -5.085 1.00 0.00 H new ATOM 0 HB ILE A 50 -0.302 -12.054 -3.526 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -0.377 -14.373 -5.103 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -1.718 -13.619 -4.264 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -1.233 -10.759 -5.369 1.00 0.00 H new ATOM 0 HG22 ILE A 50 0.428 -10.268 -4.958 1.00 0.00 H new ATOM 0 HG23 ILE A 50 0.125 -11.263 -6.402 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -2.271 -14.031 -6.608 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -2.242 -12.283 -6.273 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -0.880 -13.049 -7.125 1.00 0.00 H new ATOM 745 N GLY A 51 2.605 -10.697 -4.421 1.00 0.00 N ATOM 746 CA GLY A 51 3.467 -9.641 -4.918 1.00 0.00 C ATOM 747 C GLY A 51 3.309 -8.354 -4.132 1.00 0.00 C ATOM 748 O GLY A 51 2.248 -7.729 -4.157 1.00 0.00 O ATOM 0 H GLY A 51 2.216 -10.528 -3.493 1.00 0.00 H new ATOM 0 HA2 GLY A 51 4.505 -9.969 -4.869 1.00 0.00 H new ATOM 0 HA3 GLY A 51 3.241 -9.454 -5.968 1.00 0.00 H new ATOM 752 N ILE A 52 4.365 -7.957 -3.428 1.00 0.00 N ATOM 753 CA ILE A 52 4.334 -6.738 -2.628 1.00 0.00 C ATOM 754 C ILE A 52 5.265 -5.675 -3.206 1.00 0.00 C ATOM 755 O ILE A 52 6.285 -5.995 -3.815 1.00 0.00 O ATOM 756 CB ILE A 52 4.729 -7.016 -1.163 1.00 0.00 C ATOM 757 CG1 ILE A 52 4.573 -5.750 -0.317 1.00 0.00 C ATOM 758 CG2 ILE A 52 6.156 -7.541 -1.083 1.00 0.00 C ATOM 759 CD1 ILE A 52 4.651 -6.006 1.172 1.00 0.00 C ATOM 0 H ILE A 52 5.251 -8.461 -3.396 1.00 0.00 H new ATOM 0 HA ILE A 52 3.309 -6.368 -2.654 1.00 0.00 H new ATOM 0 HB ILE A 52 4.061 -7.780 -0.766 1.00 0.00 H new ATOM 0 HG12 ILE A 52 5.349 -5.038 -0.596 1.00 0.00 H new ATOM 0 HG13 ILE A 52 3.615 -5.284 -0.548 1.00 0.00 H new ATOM 0 HG21 ILE A 52 6.416 -7.731 -0.042 1.00 0.00 H new ATOM 0 HG22 ILE A 52 6.235 -8.468 -1.652 1.00 0.00 H new ATOM 0 HG23 ILE A 52 6.840 -6.801 -1.498 1.00 0.00 H new ATOM 0 HD11 ILE A 52 4.533 -5.065 1.710 1.00 0.00 H new ATOM 0 HD12 ILE A 52 3.858 -6.694 1.465 1.00 0.00 H new ATOM 0 HD13 ILE A 52 5.619 -6.444 1.416 1.00 0.00 H new ATOM 771 N ASN A 53 4.904 -4.411 -3.010 1.00 0.00 N ATOM 772 CA ASN A 53 5.705 -3.300 -3.509 1.00 0.00 C ATOM 773 C ASN A 53 5.444 -2.034 -2.698 1.00 0.00 C ATOM 774 O ASN A 53 4.501 -1.976 -1.908 1.00 0.00 O ATOM 775 CB ASN A 53 5.398 -3.046 -4.986 1.00 0.00 C ATOM 776 CG ASN A 53 3.942 -2.690 -5.220 1.00 0.00 C ATOM 777 OD1 ASN A 53 3.350 -1.921 -4.464 1.00 0.00 O ATOM 778 ND2 ASN A 53 3.358 -3.251 -6.273 1.00 0.00 N ATOM 0 H ASN A 53 4.061 -4.131 -2.509 1.00 0.00 H new ATOM 0 HA ASN A 53 6.757 -3.567 -3.404 1.00 0.00 H new ATOM 0 HB2 ASN A 53 6.031 -2.237 -5.352 1.00 0.00 H new ATOM 0 HB3 ASN A 53 5.650 -3.935 -5.565 1.00 0.00 H new ATOM 0 HD21 ASN A 53 2.380 -3.050 -6.481 1.00 0.00 H new ATOM 0 HD22 ASN A 53 3.888 -3.883 -6.873 1.00 0.00 H new ATOM 785 N CYS A 54 6.284 -1.024 -2.896 1.00 0.00 N ATOM 786 CA CYS A 54 6.142 0.239 -2.181 1.00 0.00 C ATOM 787 C CYS A 54 6.490 1.419 -3.084 1.00 0.00 C ATOM 788 O CYS A 54 7.475 1.381 -3.820 1.00 0.00 O ATOM 789 CB CYS A 54 7.039 0.250 -0.941 1.00 0.00 C ATOM 790 SG CYS A 54 6.338 -0.635 0.489 1.00 0.00 S ATOM 0 H CYS A 54 7.070 -1.055 -3.545 1.00 0.00 H new ATOM 0 HA CYS A 54 5.102 0.337 -1.871 1.00 0.00 H new ATOM 0 HB2 CYS A 54 8.000 -0.197 -1.196 1.00 0.00 H new ATOM 0 HB3 CYS A 54 7.234 1.284 -0.655 1.00 0.00 H new ATOM 795 N CYS A 55 5.673 2.466 -3.020 1.00 0.00 N ATOM 796 CA CYS A 55 5.894 3.658 -3.832 1.00 0.00 C ATOM 797 C CYS A 55 6.018 4.898 -2.952 1.00 0.00 C ATOM 798 O CYS A 55 5.875 4.822 -1.732 1.00 0.00 O ATOM 799 CB CYS A 55 4.753 3.841 -4.834 1.00 0.00 C ATOM 800 SG CYS A 55 3.093 3.565 -4.133 1.00 0.00 S ATOM 0 H CYS A 55 4.853 2.513 -2.415 1.00 0.00 H new ATOM 0 HA CYS A 55 6.828 3.526 -4.379 1.00 0.00 H new ATOM 0 HB2 CYS A 55 4.800 4.851 -5.241 1.00 0.00 H new ATOM 0 HB3 CYS A 55 4.902 3.154 -5.667 1.00 0.00 H new ATOM 805 N THR A 56 6.286 6.039 -3.579 1.00 0.00 N ATOM 806 CA THR A 56 6.430 7.294 -2.851 1.00 0.00 C ATOM 807 C THR A 56 5.864 8.462 -3.655 1.00 0.00 C ATOM 808 O THR A 56 6.511 9.499 -3.804 1.00 0.00 O ATOM 809 CB THR A 56 7.902 7.551 -2.522 1.00 0.00 C ATOM 810 OG1 THR A 56 8.050 8.747 -1.780 1.00 0.00 O ATOM 811 CG2 THR A 56 8.779 7.661 -3.750 1.00 0.00 C ATOM 0 H THR A 56 6.408 6.120 -4.588 1.00 0.00 H new ATOM 0 HA THR A 56 5.866 7.211 -1.922 1.00 0.00 H new ATOM 0 HB THR A 56 8.223 6.686 -1.942 1.00 0.00 H new ATOM 0 HG1 THR A 56 7.639 9.489 -2.270 1.00 0.00 H new ATOM 0 HG21 THR A 56 9.810 7.843 -3.446 1.00 0.00 H new ATOM 0 HG22 THR A 56 8.727 6.732 -4.318 1.00 0.00 H new ATOM 0 HG23 THR A 56 8.433 8.487 -4.372 1.00 0.00 H new ATOM 819 N THR A 57 4.651 8.287 -4.169 1.00 0.00 N ATOM 820 CA THR A 57 3.997 9.328 -4.955 1.00 0.00 C ATOM 821 C THR A 57 2.513 9.414 -4.615 1.00 0.00 C ATOM 822 O THR A 57 1.915 8.446 -4.145 1.00 0.00 O ATOM 823 CB THR A 57 4.179 9.060 -6.450 1.00 0.00 C ATOM 824 OG1 THR A 57 4.436 7.687 -6.686 1.00 0.00 O ATOM 825 CG2 THR A 57 5.312 9.850 -7.067 1.00 0.00 C ATOM 0 H THR A 57 4.101 7.435 -4.056 1.00 0.00 H new ATOM 0 HA THR A 57 4.462 10.282 -4.708 1.00 0.00 H new ATOM 0 HB THR A 57 3.244 9.373 -6.914 1.00 0.00 H new ATOM 0 HG1 THR A 57 4.548 7.536 -7.648 1.00 0.00 H new ATOM 0 HG21 THR A 57 5.386 9.612 -8.128 1.00 0.00 H new ATOM 0 HG22 THR A 57 5.120 10.916 -6.946 1.00 0.00 H new ATOM 0 HG23 THR A 57 6.248 9.591 -6.572 1.00 0.00 H new ATOM 833 N ASP A 58 1.924 10.583 -4.851 1.00 0.00 N ATOM 834 CA ASP A 58 0.513 10.801 -4.571 1.00 0.00 C ATOM 835 C ASP A 58 -0.360 9.819 -5.345 1.00 0.00 C ATOM 836 O ASP A 58 -0.252 9.707 -6.566 1.00 0.00 O ATOM 837 CB ASP A 58 0.127 12.236 -4.926 1.00 0.00 C ATOM 838 CG ASP A 58 0.640 12.655 -6.290 1.00 0.00 C ATOM 839 OD1 ASP A 58 1.862 12.876 -6.423 1.00 0.00 O ATOM 840 OD2 ASP A 58 -0.180 12.762 -7.226 1.00 0.00 O ATOM 0 H ASP A 58 2.406 11.395 -5.237 1.00 0.00 H new ATOM 0 HA ASP A 58 0.348 10.635 -3.506 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -0.958 12.333 -4.904 1.00 0.00 H new ATOM 0 HB3 ASP A 58 0.523 12.913 -4.169 1.00 0.00 H new ATOM 845 N ARG A 59 -1.226 9.111 -4.626 1.00 0.00 N ATOM 846 CA ARG A 59 -2.122 8.138 -5.244 1.00 0.00 C ATOM 847 C ARG A 59 -1.337 7.104 -6.046 1.00 0.00 C ATOM 848 O ARG A 59 -1.843 6.546 -7.019 1.00 0.00 O ATOM 849 CB ARG A 59 -3.130 8.846 -6.151 1.00 0.00 C ATOM 850 CG ARG A 59 -4.277 9.494 -5.393 1.00 0.00 C ATOM 851 CD ARG A 59 -5.561 9.478 -6.206 1.00 0.00 C ATOM 852 NE ARG A 59 -6.410 10.629 -5.912 1.00 0.00 N ATOM 853 CZ ARG A 59 -7.402 11.040 -6.699 1.00 0.00 C ATOM 854 NH1 ARG A 59 -7.672 10.396 -7.827 1.00 0.00 N ATOM 855 NH2 ARG A 59 -8.125 12.099 -6.357 1.00 0.00 N ATOM 0 H ARG A 59 -1.327 9.193 -3.614 1.00 0.00 H new ATOM 0 HA ARG A 59 -2.659 7.621 -4.449 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -2.611 9.609 -6.731 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -3.536 8.126 -6.862 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -4.435 8.969 -4.451 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -4.015 10.522 -5.144 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -5.317 9.470 -7.268 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -6.110 8.560 -5.998 1.00 0.00 H new ATOM 0 HE ARG A 59 -6.233 11.149 -5.053 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -7.119 9.582 -8.095 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -8.433 10.715 -8.427 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -7.921 12.598 -5.491 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -8.885 12.414 -6.960 1.00 0.00 H new ATOM 869 N CYS A 60 -0.098 6.855 -5.633 1.00 0.00 N ATOM 870 CA CYS A 60 0.755 5.893 -6.309 1.00 0.00 C ATOM 871 C CYS A 60 0.206 4.474 -6.170 1.00 0.00 C ATOM 872 O CYS A 60 0.500 3.603 -6.988 1.00 0.00 O ATOM 873 CB CYS A 60 2.169 5.967 -5.739 1.00 0.00 C ATOM 874 SG CYS A 60 2.305 5.432 -4.002 1.00 0.00 S ATOM 0 H CYS A 60 0.336 7.310 -4.830 1.00 0.00 H new ATOM 0 HA CYS A 60 0.778 6.142 -7.370 1.00 0.00 H new ATOM 0 HB2 CYS A 60 2.827 5.350 -6.350 1.00 0.00 H new ATOM 0 HB3 CYS A 60 2.528 6.993 -5.820 1.00 0.00 H new ATOM 879 N ASN A 61 -0.592 4.250 -5.130 1.00 0.00 N ATOM 880 CA ASN A 61 -1.179 2.937 -4.888 1.00 0.00 C ATOM 881 C ASN A 61 -2.642 2.907 -5.323 1.00 0.00 C ATOM 882 O ASN A 61 -3.543 2.734 -4.500 1.00 0.00 O ATOM 883 CB ASN A 61 -1.061 2.568 -3.409 1.00 0.00 C ATOM 884 CG ASN A 61 -1.602 3.654 -2.497 1.00 0.00 C ATOM 885 OD1 ASN A 61 -1.227 4.820 -2.612 1.00 0.00 O ATOM 886 ND2 ASN A 61 -2.488 3.272 -1.586 1.00 0.00 N ATOM 0 H ASN A 61 -0.846 4.960 -4.443 1.00 0.00 H new ATOM 0 HA ASN A 61 -0.630 2.204 -5.480 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -1.602 1.640 -3.225 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -0.015 2.381 -3.166 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -2.887 3.957 -0.944 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -2.770 2.293 -1.527 1.00 0.00 H new ATOM 893 N ASN A 62 -2.871 3.078 -6.621 1.00 0.00 N ATOM 894 CA ASN A 62 -4.223 3.073 -7.166 1.00 0.00 C ATOM 895 C ASN A 62 -4.554 1.718 -7.784 1.00 0.00 C ATOM 896 O ASN A 62 -3.713 1.193 -8.544 1.00 0.00 O ATOM 897 CB ASN A 62 -4.376 4.176 -8.215 1.00 0.00 C ATOM 898 CG ASN A 62 -5.828 4.522 -8.483 1.00 0.00 C ATOM 899 OD1 ASN A 62 -6.307 5.586 -8.089 1.00 0.00 O ATOM 900 ND2 ASN A 62 -6.535 3.623 -9.157 1.00 0.00 N ATOM 901 OXT ASN A 62 -5.652 1.193 -7.503 1.00 0.00 O ATOM 0 H ASN A 62 -2.137 3.222 -7.315 1.00 0.00 H new ATOM 0 HA ASN A 62 -4.919 3.260 -6.348 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -3.849 5.069 -7.879 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -3.904 3.858 -9.144 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -7.517 3.800 -9.368 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -6.096 2.755 -9.464 1.00 0.00 H new