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 4 HIS : no HE2:sc= -1.41 X(o=-1.5,f=-1.8) USER MOD Set 1.2: A 62 ASN : amide:sc= -0.131 X(o=-1.5,f=-1.8) USER MOD Set 2.1: A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 53 ASN : amide:sc= -3.26 K(o=-3.3,f=-8.1!) USER MOD Set 3.1: A 22 ASN : amide:sc= -0.329 K(o=-0.67,f=-0.0079) USER MOD Set 3.2: A 23 ASN : amide:sc= -0.337 K(o=-0.67,f=-0.0079) USER MOD Set 4.1: A 5 ASN : amide:sc= -0.832 K(o=-0.4,f=-6.9!) USER MOD Set 4.2: A 6 GLN : amide:sc= -0.0989 X(o=-0.4,f=-0.32) USER MOD Set 4.3: A 13 THR OG1 : rot 21:sc= 0.751 USER MOD Set 4.4: A 15 THR OG1 : rot -160:sc= -0.224 USER MOD Single : A 1 LEU N :NH3+ -106:sc= 0.0685 (180deg=0) USER MOD Single : A 7 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 8 SER OG : rot -61:sc= 1.16 USER MOD Single : A 9 SER OG : rot -47:sc= 0.517 USER MOD Single : A 10 GLN : amide:sc= -0.253 K(o=-0.25,f=-2.8!) USER MOD Single : A 11 THR OG1 : rot -63:sc= 0.186 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0.00579 USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 25 TYR OH : rot -179:sc= 0.232 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 THR OG1 : rot 28:sc= -0.0215 USER MOD Single : A 45 SER OG : rot 42:sc= 0.344 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 56 THR OG1 : rot -57:sc= 0.464 USER MOD Single : A 57 THR OG1 : rot 180:sc= -0.363 USER MOD Single : A 61 ASN : amide:sc= -1.16 K(o=-1.2,f=-12!) USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 0.894 14.838 1.398 1.00 0.00 N ATOM 2 CA LEU A 1 0.768 13.646 0.520 1.00 0.00 C ATOM 3 C LEU A 1 -0.607 13.002 0.661 1.00 0.00 C ATOM 4 O LEU A 1 -1.309 13.224 1.647 1.00 0.00 O ATOM 5 CB LEU A 1 1.861 12.644 0.897 1.00 0.00 C ATOM 6 CG LEU A 1 1.984 11.439 -0.035 1.00 0.00 C ATOM 7 CD1 LEU A 1 2.464 11.873 -1.411 1.00 0.00 C ATOM 8 CD2 LEU A 1 2.927 10.403 0.557 1.00 0.00 C ATOM 0 H1 LEU A 1 0.849 15.701 0.820 1.00 0.00 H new ATOM 0 H2 LEU A 1 0.117 14.843 2.090 1.00 0.00 H new ATOM 0 H3 LEU A 1 1.804 14.805 1.900 1.00 0.00 H new ATOM 0 HA LEU A 1 0.883 13.953 -0.519 1.00 0.00 H new ATOM 0 HB2 LEU A 1 2.818 13.165 0.920 1.00 0.00 H new ATOM 0 HB3 LEU A 1 1.670 12.284 1.908 1.00 0.00 H new ATOM 0 HG LEU A 1 0.998 10.986 -0.144 1.00 0.00 H new ATOM 0 HD11 LEU A 1 2.545 11.001 -2.060 1.00 0.00 H new ATOM 0 HD12 LEU A 1 1.752 12.579 -1.839 1.00 0.00 H new ATOM 0 HD13 LEU A 1 3.440 12.351 -1.322 1.00 0.00 H new ATOM 0 HD21 LEU A 1 3.003 9.552 -0.119 1.00 0.00 H new ATOM 0 HD22 LEU A 1 3.913 10.846 0.695 1.00 0.00 H new ATOM 0 HD23 LEU A 1 2.541 10.068 1.520 1.00 0.00 H new ATOM 22 N GLU A 2 -0.985 12.203 -0.331 1.00 0.00 N ATOM 23 CA GLU A 2 -2.277 11.526 -0.316 1.00 0.00 C ATOM 24 C GLU A 2 -2.145 10.091 -0.817 1.00 0.00 C ATOM 25 O GLU A 2 -1.402 9.818 -1.759 1.00 0.00 O ATOM 26 CB GLU A 2 -3.286 12.289 -1.175 1.00 0.00 C ATOM 27 CG GLU A 2 -4.684 12.331 -0.579 1.00 0.00 C ATOM 28 CD GLU A 2 -5.476 13.540 -1.036 1.00 0.00 C ATOM 29 OE1 GLU A 2 -5.655 13.705 -2.260 1.00 0.00 O ATOM 30 OE2 GLU A 2 -5.918 14.323 -0.168 1.00 0.00 O ATOM 0 H GLU A 2 -0.416 12.008 -1.155 1.00 0.00 H new ATOM 0 HA GLU A 2 -2.634 11.500 0.714 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -2.930 13.309 -1.318 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -3.334 11.827 -2.161 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -5.221 11.424 -0.856 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -4.611 12.339 0.509 1.00 0.00 H new ATOM 37 N CYS A 3 -2.872 9.178 -0.180 1.00 0.00 N ATOM 38 CA CYS A 3 -2.836 7.772 -0.561 1.00 0.00 C ATOM 39 C CYS A 3 -4.120 7.062 -0.142 1.00 0.00 C ATOM 40 O CYS A 3 -4.921 7.602 0.622 1.00 0.00 O ATOM 41 CB CYS A 3 -1.630 7.080 0.076 1.00 0.00 C ATOM 42 SG CYS A 3 -0.181 6.957 -1.022 1.00 0.00 S ATOM 0 H CYS A 3 -3.493 9.388 0.602 1.00 0.00 H new ATOM 0 HA CYS A 3 -2.748 7.718 -1.646 1.00 0.00 H new ATOM 0 HB2 CYS A 3 -1.346 7.624 0.976 1.00 0.00 H new ATOM 0 HB3 CYS A 3 -1.922 6.078 0.388 1.00 0.00 H new ATOM 47 N HIS A 4 -4.309 5.849 -0.649 1.00 0.00 N ATOM 48 CA HIS A 4 -5.492 5.061 -0.330 1.00 0.00 C ATOM 49 C HIS A 4 -5.347 4.390 1.032 1.00 0.00 C ATOM 50 O HIS A 4 -4.519 3.496 1.209 1.00 0.00 O ATOM 51 CB HIS A 4 -5.724 4.006 -1.411 1.00 0.00 C ATOM 52 CG HIS A 4 -6.441 4.531 -2.615 1.00 0.00 C ATOM 53 ND1 HIS A 4 -7.814 4.510 -2.743 1.00 0.00 N ATOM 54 CD2 HIS A 4 -5.967 5.095 -3.751 1.00 0.00 C ATOM 55 CE1 HIS A 4 -8.155 5.038 -3.905 1.00 0.00 C ATOM 56 NE2 HIS A 4 -7.053 5.402 -4.535 1.00 0.00 N ATOM 0 H HIS A 4 -3.656 5.390 -1.284 1.00 0.00 H new ATOM 0 HA HIS A 4 -6.351 5.731 -0.292 1.00 0.00 H new ATOM 0 HB2 HIS A 4 -4.762 3.597 -1.721 1.00 0.00 H new ATOM 0 HB3 HIS A 4 -6.298 3.183 -0.986 1.00 0.00 H new ATOM 0 HD1 HIS A 4 -8.465 4.144 -2.048 1.00 0.00 H new ATOM 0 HD2 HIS A 4 -4.930 5.271 -3.995 1.00 0.00 H new ATOM 0 HE1 HIS A 4 -9.163 5.152 -4.276 1.00 0.00 H new ATOM 65 N ASN A 5 -6.155 4.829 1.993 1.00 0.00 N ATOM 66 CA ASN A 5 -6.113 4.270 3.339 1.00 0.00 C ATOM 67 C ASN A 5 -6.807 2.914 3.390 1.00 0.00 C ATOM 68 O ASN A 5 -6.380 2.013 4.113 1.00 0.00 O ATOM 69 CB ASN A 5 -6.770 5.230 4.333 1.00 0.00 C ATOM 70 CG ASN A 5 -8.154 5.646 3.908 1.00 0.00 C ATOM 71 OD1 ASN A 5 -8.650 5.237 2.858 1.00 0.00 O ATOM 72 ND2 ASN A 5 -8.786 6.466 4.730 1.00 0.00 N ATOM 0 H ASN A 5 -6.845 5.569 1.864 1.00 0.00 H new ATOM 0 HA ASN A 5 -5.067 4.131 3.614 1.00 0.00 H new ATOM 0 HB2 ASN A 5 -6.822 4.754 5.312 1.00 0.00 H new ATOM 0 HB3 ASN A 5 -6.146 6.117 4.443 1.00 0.00 H new ATOM 0 HD21 ASN A 5 -9.728 6.788 4.505 1.00 0.00 H new ATOM 0 HD22 ASN A 5 -8.332 6.777 5.589 1.00 0.00 H new ATOM 79 N GLN A 6 -7.880 2.775 2.620 1.00 0.00 N ATOM 80 CA GLN A 6 -8.635 1.528 2.577 1.00 0.00 C ATOM 81 C GLN A 6 -7.899 0.475 1.756 1.00 0.00 C ATOM 82 O GLN A 6 -6.815 0.729 1.231 1.00 0.00 O ATOM 83 CB GLN A 6 -10.027 1.770 1.989 1.00 0.00 C ATOM 84 CG GLN A 6 -11.100 0.872 2.582 1.00 0.00 C ATOM 85 CD GLN A 6 -12.393 1.615 2.856 1.00 0.00 C ATOM 86 OE1 GLN A 6 -13.446 1.273 2.316 1.00 0.00 O ATOM 87 NE2 GLN A 6 -12.321 2.638 3.698 1.00 0.00 N ATOM 0 H GLN A 6 -8.247 3.511 2.017 1.00 0.00 H new ATOM 0 HA GLN A 6 -8.739 1.159 3.598 1.00 0.00 H new ATOM 0 HB2 GLN A 6 -10.305 2.811 2.151 1.00 0.00 H new ATOM 0 HB3 GLN A 6 -9.989 1.615 0.911 1.00 0.00 H new ATOM 0 HG2 GLN A 6 -11.297 0.046 1.898 1.00 0.00 H new ATOM 0 HG3 GLN A 6 -10.732 0.436 3.510 1.00 0.00 H new ATOM 0 HE21 GLN A 6 -11.428 2.887 4.123 1.00 0.00 H new ATOM 0 HE22 GLN A 6 -13.159 3.175 3.920 1.00 0.00 H new ATOM 96 N GLN A 7 -8.494 -0.709 1.650 1.00 0.00 N ATOM 97 CA GLN A 7 -7.892 -1.801 0.893 1.00 0.00 C ATOM 98 C GLN A 7 -8.853 -2.318 -0.173 1.00 0.00 C ATOM 99 O GLN A 7 -10.004 -1.888 -0.246 1.00 0.00 O ATOM 100 CB GLN A 7 -7.490 -2.940 1.831 1.00 0.00 C ATOM 101 CG GLN A 7 -8.663 -3.567 2.565 1.00 0.00 C ATOM 102 CD GLN A 7 -8.531 -3.472 4.072 1.00 0.00 C ATOM 103 OE1 GLN A 7 -8.986 -2.508 4.688 1.00 0.00 O ATOM 104 NE2 GLN A 7 -7.903 -4.474 4.676 1.00 0.00 N ATOM 0 H GLN A 7 -9.391 -0.937 2.078 1.00 0.00 H new ATOM 0 HA GLN A 7 -7.000 -1.418 0.397 1.00 0.00 H new ATOM 0 HB2 GLN A 7 -6.979 -3.711 1.254 1.00 0.00 H new ATOM 0 HB3 GLN A 7 -6.775 -2.562 2.562 1.00 0.00 H new ATOM 0 HG2 GLN A 7 -9.585 -3.076 2.254 1.00 0.00 H new ATOM 0 HG3 GLN A 7 -8.747 -4.615 2.278 1.00 0.00 H new ATOM 0 HE21 GLN A 7 -7.541 -5.254 4.127 1.00 0.00 H new ATOM 0 HE22 GLN A 7 -7.782 -4.464 5.689 1.00 0.00 H new ATOM 113 N SER A 8 -8.372 -3.244 -0.996 1.00 0.00 N ATOM 114 CA SER A 8 -9.185 -3.822 -2.060 1.00 0.00 C ATOM 115 C SER A 8 -9.654 -2.744 -3.033 1.00 0.00 C ATOM 116 O SER A 8 -9.699 -1.562 -2.693 1.00 0.00 O ATOM 117 CB SER A 8 -10.393 -4.554 -1.468 1.00 0.00 C ATOM 118 OG SER A 8 -11.455 -3.656 -1.198 1.00 0.00 O ATOM 0 H SER A 8 -7.422 -3.611 -0.946 1.00 0.00 H new ATOM 0 HA SER A 8 -8.569 -4.536 -2.607 1.00 0.00 H new ATOM 0 HB2 SER A 8 -10.731 -5.323 -2.162 1.00 0.00 H new ATOM 0 HB3 SER A 8 -10.100 -5.061 -0.549 1.00 0.00 H new ATOM 0 HG SER A 8 -11.163 -2.992 -0.539 1.00 0.00 H new ATOM 124 N SER A 9 -10.004 -3.161 -4.246 1.00 0.00 N ATOM 125 CA SER A 9 -10.468 -2.231 -5.269 1.00 0.00 C ATOM 126 C SER A 9 -11.978 -2.337 -5.459 1.00 0.00 C ATOM 127 O SER A 9 -12.497 -2.063 -6.540 1.00 0.00 O ATOM 128 CB SER A 9 -9.755 -2.500 -6.594 1.00 0.00 C ATOM 129 OG SER A 9 -10.003 -1.463 -7.528 1.00 0.00 O ATOM 0 H SER A 9 -9.975 -4.136 -4.544 1.00 0.00 H new ATOM 0 HA SER A 9 -10.233 -1.220 -4.937 1.00 0.00 H new ATOM 0 HB2 SER A 9 -8.682 -2.589 -6.422 1.00 0.00 H new ATOM 0 HB3 SER A 9 -10.092 -3.452 -7.005 1.00 0.00 H new ATOM 0 HG SER A 9 -10.961 -1.256 -7.540 1.00 0.00 H new ATOM 135 N GLN A 10 -12.678 -2.736 -4.402 1.00 0.00 N ATOM 136 CA GLN A 10 -14.127 -2.877 -4.454 1.00 0.00 C ATOM 137 C GLN A 10 -14.811 -1.530 -4.243 1.00 0.00 C ATOM 138 O GLN A 10 -15.760 -1.188 -4.947 1.00 0.00 O ATOM 139 CB GLN A 10 -14.598 -3.874 -3.394 1.00 0.00 C ATOM 140 CG GLN A 10 -14.509 -5.324 -3.842 1.00 0.00 C ATOM 141 CD GLN A 10 -15.753 -6.119 -3.500 1.00 0.00 C ATOM 142 OE1 GLN A 10 -16.808 -5.553 -3.215 1.00 0.00 O ATOM 143 NE2 GLN A 10 -15.634 -7.442 -3.526 1.00 0.00 N ATOM 0 H GLN A 10 -12.264 -2.967 -3.499 1.00 0.00 H new ATOM 0 HA GLN A 10 -14.398 -3.251 -5.441 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -13.999 -3.743 -2.493 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -15.630 -3.647 -3.127 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -14.346 -5.358 -4.919 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -13.643 -5.792 -3.374 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -14.740 -7.869 -3.768 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -16.437 -8.031 -3.304 1.00 0.00 H new ATOM 152 N THR A 11 -14.316 -0.768 -3.273 1.00 0.00 N ATOM 153 CA THR A 11 -14.868 0.542 -2.966 1.00 0.00 C ATOM 154 C THR A 11 -14.087 1.211 -1.836 1.00 0.00 C ATOM 155 O THR A 11 -14.654 1.571 -0.804 1.00 0.00 O ATOM 156 CB THR A 11 -16.346 0.424 -2.587 1.00 0.00 C ATOM 157 OG1 THR A 11 -16.929 1.705 -2.431 1.00 0.00 O ATOM 158 CG2 THR A 11 -16.576 -0.346 -1.303 1.00 0.00 C ATOM 0 H THR A 11 -13.529 -1.040 -2.684 1.00 0.00 H new ATOM 0 HA THR A 11 -14.782 1.163 -3.858 1.00 0.00 H new ATOM 0 HB THR A 11 -16.811 -0.123 -3.407 1.00 0.00 H new ATOM 0 HG1 THR A 11 -16.489 2.177 -1.694 1.00 0.00 H new ATOM 0 HG21 THR A 11 -17.645 -0.392 -1.093 1.00 0.00 H new ATOM 0 HG22 THR A 11 -16.183 -1.357 -1.410 1.00 0.00 H new ATOM 0 HG23 THR A 11 -16.066 0.156 -0.481 1.00 0.00 H new ATOM 166 N PRO A 12 -12.767 1.386 -2.018 1.00 0.00 N ATOM 167 CA PRO A 12 -11.907 2.014 -1.010 1.00 0.00 C ATOM 168 C PRO A 12 -12.125 3.520 -0.916 1.00 0.00 C ATOM 169 O PRO A 12 -13.000 4.074 -1.580 1.00 0.00 O ATOM 170 CB PRO A 12 -10.496 1.708 -1.513 1.00 0.00 C ATOM 171 CG PRO A 12 -10.645 1.579 -2.990 1.00 0.00 C ATOM 172 CD PRO A 12 -12.008 0.985 -3.220 1.00 0.00 C ATOM 0 HA PRO A 12 -12.110 1.637 -0.008 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -9.800 2.506 -1.253 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -10.108 0.790 -1.072 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -10.555 2.550 -3.477 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -9.866 0.940 -3.406 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -12.466 1.371 -4.131 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -11.961 -0.099 -3.322 1.00 0.00 H new ATOM 180 N THR A 13 -11.318 4.178 -0.089 1.00 0.00 N ATOM 181 CA THR A 13 -11.419 5.621 0.092 1.00 0.00 C ATOM 182 C THR A 13 -10.048 6.280 -0.018 1.00 0.00 C ATOM 183 O THR A 13 -9.019 5.618 0.118 1.00 0.00 O ATOM 184 CB THR A 13 -12.046 5.944 1.449 1.00 0.00 C ATOM 185 OG1 THR A 13 -11.212 5.502 2.505 1.00 0.00 O ATOM 186 CG2 THR A 13 -13.409 5.314 1.645 1.00 0.00 C ATOM 0 H THR A 13 -10.587 3.734 0.466 1.00 0.00 H new ATOM 0 HA THR A 13 -12.057 6.017 -0.698 1.00 0.00 H new ATOM 0 HB THR A 13 -12.160 7.028 1.463 1.00 0.00 H new ATOM 0 HG1 THR A 13 -10.294 5.400 2.176 1.00 0.00 H new ATOM 0 HG21 THR A 13 -13.796 5.583 2.628 1.00 0.00 H new ATOM 0 HG22 THR A 13 -14.091 5.675 0.875 1.00 0.00 H new ATOM 0 HG23 THR A 13 -13.322 4.230 1.574 1.00 0.00 H new ATOM 194 N THR A 14 -10.040 7.585 -0.264 1.00 0.00 N ATOM 195 CA THR A 14 -8.794 8.332 -0.392 1.00 0.00 C ATOM 196 C THR A 14 -8.578 9.242 0.812 1.00 0.00 C ATOM 197 O THR A 14 -9.411 10.097 1.114 1.00 0.00 O ATOM 198 CB THR A 14 -8.803 9.161 -1.677 1.00 0.00 C ATOM 199 OG1 THR A 14 -10.085 9.717 -1.908 1.00 0.00 O ATOM 200 CG2 THR A 14 -8.421 8.363 -2.906 1.00 0.00 C ATOM 0 H THR A 14 -10.883 8.148 -0.379 1.00 0.00 H new ATOM 0 HA THR A 14 -7.973 7.616 -0.434 1.00 0.00 H new ATOM 0 HB THR A 14 -8.057 9.941 -1.522 1.00 0.00 H new ATOM 0 HG1 THR A 14 -10.069 10.245 -2.734 1.00 0.00 H new ATOM 0 HG21 THR A 14 -8.447 9.010 -3.783 1.00 0.00 H new ATOM 0 HG22 THR A 14 -7.415 7.962 -2.781 1.00 0.00 H new ATOM 0 HG23 THR A 14 -9.125 7.542 -3.040 1.00 0.00 H new ATOM 208 N THR A 15 -7.454 9.053 1.495 1.00 0.00 N ATOM 209 CA THR A 15 -7.126 9.858 2.668 1.00 0.00 C ATOM 210 C THR A 15 -5.616 9.992 2.829 1.00 0.00 C ATOM 211 O THR A 15 -4.882 9.006 2.746 1.00 0.00 O ATOM 212 CB THR A 15 -7.733 9.236 3.926 1.00 0.00 C ATOM 213 OG1 THR A 15 -9.137 9.098 3.790 1.00 0.00 O ATOM 214 CG2 THR A 15 -7.469 10.043 5.179 1.00 0.00 C ATOM 0 H THR A 15 -6.754 8.350 1.257 1.00 0.00 H new ATOM 0 HA THR A 15 -7.548 10.853 2.525 1.00 0.00 H new ATOM 0 HB THR A 15 -7.250 8.265 4.031 1.00 0.00 H new ATOM 0 HG1 THR A 15 -9.544 9.007 4.677 1.00 0.00 H new ATOM 0 HG21 THR A 15 -7.927 9.547 6.035 1.00 0.00 H new ATOM 0 HG22 THR A 15 -6.394 10.125 5.339 1.00 0.00 H new ATOM 0 HG23 THR A 15 -7.896 11.040 5.067 1.00 0.00 H new ATOM 222 N GLY A 16 -5.156 11.218 3.054 1.00 0.00 N ATOM 223 CA GLY A 16 -3.744 11.462 3.217 1.00 0.00 C ATOM 224 C GLY A 16 -3.245 11.114 4.606 1.00 0.00 C ATOM 225 O GLY A 16 -4.023 11.065 5.558 1.00 0.00 O ATOM 0 H GLY A 16 -5.744 12.048 3.126 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -3.192 10.879 2.480 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -3.535 12.512 3.013 1.00 0.00 H new ATOM 229 N CYS A 17 -1.942 10.875 4.720 1.00 0.00 N ATOM 230 CA CYS A 17 -1.338 10.531 6.003 1.00 0.00 C ATOM 231 C CYS A 17 -0.920 11.786 6.761 1.00 0.00 C ATOM 232 O CYS A 17 -1.256 12.903 6.366 1.00 0.00 O ATOM 233 CB CYS A 17 -0.125 9.622 5.792 1.00 0.00 C ATOM 234 SG CYS A 17 -0.443 8.202 4.696 1.00 0.00 S ATOM 0 H CYS A 17 -1.285 10.913 3.941 1.00 0.00 H new ATOM 0 HA CYS A 17 -2.083 10.001 6.596 1.00 0.00 H new ATOM 0 HB2 CYS A 17 0.691 10.213 5.376 1.00 0.00 H new ATOM 0 HB3 CYS A 17 0.211 9.252 6.761 1.00 0.00 H new ATOM 239 N SER A 18 -0.184 11.594 7.851 1.00 0.00 N ATOM 240 CA SER A 18 0.281 12.711 8.666 1.00 0.00 C ATOM 241 C SER A 18 1.194 12.223 9.785 1.00 0.00 C ATOM 242 O SER A 18 0.732 11.891 10.877 1.00 0.00 O ATOM 243 CB SER A 18 -0.909 13.470 9.257 1.00 0.00 C ATOM 244 OG SER A 18 -0.660 14.865 9.286 1.00 0.00 O ATOM 0 H SER A 18 0.103 10.676 8.190 1.00 0.00 H new ATOM 0 HA SER A 18 0.849 13.385 8.025 1.00 0.00 H new ATOM 0 HB2 SER A 18 -1.803 13.269 8.666 1.00 0.00 H new ATOM 0 HB3 SER A 18 -1.108 13.112 10.267 1.00 0.00 H new ATOM 0 HG SER A 18 -1.436 15.328 9.666 1.00 0.00 H new ATOM 250 N GLY A 19 2.493 12.179 9.507 1.00 0.00 N ATOM 251 CA GLY A 19 3.450 11.729 10.500 1.00 0.00 C ATOM 252 C GLY A 19 4.769 11.303 9.886 1.00 0.00 C ATOM 253 O GLY A 19 5.170 10.144 10.003 1.00 0.00 O ATOM 0 H GLY A 19 2.900 12.447 8.611 1.00 0.00 H new ATOM 0 HA2 GLY A 19 3.629 12.531 11.217 1.00 0.00 H new ATOM 0 HA3 GLY A 19 3.025 10.893 11.056 1.00 0.00 H new ATOM 257 N GLY A 20 5.446 12.241 9.232 1.00 0.00 N ATOM 258 CA GLY A 20 6.723 11.945 8.609 1.00 0.00 C ATOM 259 C GLY A 20 6.676 10.704 7.736 1.00 0.00 C ATOM 260 O GLY A 20 7.478 9.786 7.908 1.00 0.00 O ATOM 0 H GLY A 20 5.131 13.205 9.122 1.00 0.00 H new ATOM 0 HA2 GLY A 20 7.034 12.797 8.005 1.00 0.00 H new ATOM 0 HA3 GLY A 20 7.478 11.811 9.384 1.00 0.00 H new ATOM 264 N GLU A 21 5.735 10.676 6.798 1.00 0.00 N ATOM 265 CA GLU A 21 5.587 9.539 5.897 1.00 0.00 C ATOM 266 C GLU A 21 5.339 10.006 4.466 1.00 0.00 C ATOM 267 O GLU A 21 4.484 10.858 4.220 1.00 0.00 O ATOM 268 CB GLU A 21 4.438 8.641 6.360 1.00 0.00 C ATOM 269 CG GLU A 21 4.713 7.159 6.174 1.00 0.00 C ATOM 270 CD GLU A 21 4.679 6.390 7.481 1.00 0.00 C ATOM 271 OE1 GLU A 21 5.511 6.686 8.366 1.00 0.00 O ATOM 272 OE2 GLU A 21 3.822 5.493 7.621 1.00 0.00 O ATOM 0 H GLU A 21 5.063 11.428 6.642 1.00 0.00 H new ATOM 0 HA GLU A 21 6.516 8.969 5.917 1.00 0.00 H new ATOM 0 HB2 GLU A 21 4.238 8.836 7.414 1.00 0.00 H new ATOM 0 HB3 GLU A 21 3.536 8.907 5.809 1.00 0.00 H new ATOM 0 HG2 GLU A 21 3.975 6.739 5.491 1.00 0.00 H new ATOM 0 HG3 GLU A 21 5.689 7.030 5.707 1.00 0.00 H new ATOM 279 N ASN A 22 6.091 9.443 3.525 1.00 0.00 N ATOM 280 CA ASN A 22 5.951 9.804 2.118 1.00 0.00 C ATOM 281 C ASN A 22 6.004 8.566 1.228 1.00 0.00 C ATOM 282 O ASN A 22 6.453 8.631 0.085 1.00 0.00 O ATOM 283 CB ASN A 22 7.049 10.785 1.706 1.00 0.00 C ATOM 284 CG ASN A 22 8.413 10.391 2.237 1.00 0.00 C ATOM 285 OD1 ASN A 22 8.803 10.787 3.335 1.00 0.00 O ATOM 286 ND2 ASN A 22 9.147 9.605 1.457 1.00 0.00 N ATOM 0 H ASN A 22 6.802 8.736 3.711 1.00 0.00 H new ATOM 0 HA ASN A 22 4.979 10.282 1.991 1.00 0.00 H new ATOM 0 HB2 ASN A 22 7.090 10.843 0.618 1.00 0.00 H new ATOM 0 HB3 ASN A 22 6.796 11.781 2.069 1.00 0.00 H new ATOM 0 HD21 ASN A 22 10.074 9.306 1.761 1.00 0.00 H new ATOM 0 HD22 ASN A 22 8.784 9.300 0.554 1.00 0.00 H new ATOM 293 N ASN A 23 5.543 7.439 1.760 1.00 0.00 N ATOM 294 CA ASN A 23 5.539 6.188 1.011 1.00 0.00 C ATOM 295 C ASN A 23 4.254 5.408 1.266 1.00 0.00 C ATOM 296 O ASN A 23 3.643 5.530 2.327 1.00 0.00 O ATOM 297 CB ASN A 23 6.750 5.336 1.394 1.00 0.00 C ATOM 298 CG ASN A 23 8.044 5.880 0.819 1.00 0.00 C ATOM 299 OD1 ASN A 23 8.422 5.555 -0.306 1.00 0.00 O ATOM 300 ND2 ASN A 23 8.732 6.713 1.593 1.00 0.00 N ATOM 0 H ASN A 23 5.168 7.366 2.706 1.00 0.00 H new ATOM 0 HA ASN A 23 5.594 6.428 -0.051 1.00 0.00 H new ATOM 0 HB2 ASN A 23 6.829 5.289 2.480 1.00 0.00 H new ATOM 0 HB3 ASN A 23 6.599 4.316 1.041 1.00 0.00 H new ATOM 0 HD21 ASN A 23 9.611 7.110 1.260 1.00 0.00 H new ATOM 0 HD22 ASN A 23 8.381 6.955 2.520 1.00 0.00 H new ATOM 307 N CYS A 24 3.846 4.605 0.287 1.00 0.00 N ATOM 308 CA CYS A 24 2.632 3.808 0.413 1.00 0.00 C ATOM 309 C CYS A 24 2.818 2.421 -0.192 1.00 0.00 C ATOM 310 O CYS A 24 3.056 2.281 -1.391 1.00 0.00 O ATOM 311 CB CYS A 24 1.458 4.517 -0.261 1.00 0.00 C ATOM 312 SG CYS A 24 1.290 6.272 0.198 1.00 0.00 S ATOM 0 H CYS A 24 4.337 4.490 -0.599 1.00 0.00 H new ATOM 0 HA CYS A 24 2.418 3.692 1.475 1.00 0.00 H new ATOM 0 HB2 CYS A 24 1.575 4.444 -1.342 1.00 0.00 H new ATOM 0 HB3 CYS A 24 0.536 3.995 -0.005 1.00 0.00 H new ATOM 317 N TYR A 25 2.717 1.399 0.651 1.00 0.00 N ATOM 318 CA TYR A 25 2.878 0.031 0.219 1.00 0.00 C ATOM 319 C TYR A 25 1.591 -0.525 -0.383 1.00 0.00 C ATOM 320 O TYR A 25 0.537 0.111 -0.331 1.00 0.00 O ATOM 321 CB TYR A 25 3.328 -0.840 1.395 1.00 0.00 C ATOM 322 CG TYR A 25 2.226 -1.167 2.382 1.00 0.00 C ATOM 323 CD1 TYR A 25 1.803 -0.225 3.313 1.00 0.00 C ATOM 324 CD2 TYR A 25 1.609 -2.415 2.384 1.00 0.00 C ATOM 325 CE1 TYR A 25 0.799 -0.516 4.216 1.00 0.00 C ATOM 326 CE2 TYR A 25 0.604 -2.711 3.287 1.00 0.00 C ATOM 327 CZ TYR A 25 0.203 -1.758 4.199 1.00 0.00 C ATOM 328 OH TYR A 25 -0.797 -2.049 5.098 1.00 0.00 O ATOM 0 H TYR A 25 2.522 1.503 1.647 1.00 0.00 H new ATOM 0 HA TYR A 25 3.642 0.014 -0.558 1.00 0.00 H new ATOM 0 HB2 TYR A 25 3.740 -1.771 1.006 1.00 0.00 H new ATOM 0 HB3 TYR A 25 4.134 -0.330 1.923 1.00 0.00 H new ATOM 0 HD1 TYR A 25 2.267 0.750 3.330 1.00 0.00 H new ATOM 0 HD2 TYR A 25 1.920 -3.163 1.670 1.00 0.00 H new ATOM 0 HE1 TYR A 25 0.482 0.227 4.933 1.00 0.00 H new ATOM 0 HE2 TYR A 25 0.136 -3.684 3.278 1.00 0.00 H new ATOM 0 HH TYR A 25 -1.100 -2.971 4.963 1.00 0.00 H new ATOM 338 N LYS A 26 1.691 -1.723 -0.946 1.00 0.00 N ATOM 339 CA LYS A 26 0.551 -2.393 -1.556 1.00 0.00 C ATOM 340 C LYS A 26 0.831 -3.888 -1.662 1.00 0.00 C ATOM 341 O LYS A 26 1.497 -4.338 -2.594 1.00 0.00 O ATOM 342 CB LYS A 26 0.263 -1.812 -2.941 1.00 0.00 C ATOM 343 CG LYS A 26 -1.109 -2.180 -3.482 1.00 0.00 C ATOM 344 CD LYS A 26 -1.023 -3.291 -4.518 1.00 0.00 C ATOM 345 CE LYS A 26 -1.342 -2.780 -5.915 1.00 0.00 C ATOM 346 NZ LYS A 26 -0.476 -3.410 -6.948 1.00 0.00 N ATOM 0 H LYS A 26 2.560 -2.255 -0.992 1.00 0.00 H new ATOM 0 HA LYS A 26 -0.326 -2.235 -0.929 1.00 0.00 H new ATOM 0 HB2 LYS A 26 0.347 -0.726 -2.895 1.00 0.00 H new ATOM 0 HB3 LYS A 26 1.025 -2.161 -3.638 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -1.752 -2.497 -2.661 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -1.573 -1.300 -3.929 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -0.022 -3.722 -4.508 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -1.717 -4.089 -4.255 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -2.388 -2.983 -6.146 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -1.213 -1.698 -5.944 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -0.725 -3.035 -7.886 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 0.521 -3.196 -6.743 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -0.618 -4.440 -6.938 1.00 0.00 H new ATOM 360 N LYS A 27 0.342 -4.650 -0.690 1.00 0.00 N ATOM 361 CA LYS A 27 0.564 -6.086 -0.665 1.00 0.00 C ATOM 362 C LYS A 27 -0.709 -6.858 -0.997 1.00 0.00 C ATOM 363 O LYS A 27 -1.781 -6.573 -0.463 1.00 0.00 O ATOM 364 CB LYS A 27 1.091 -6.509 0.709 1.00 0.00 C ATOM 365 CG LYS A 27 0.520 -5.707 1.867 1.00 0.00 C ATOM 366 CD LYS A 27 1.104 -6.156 3.197 1.00 0.00 C ATOM 367 CE LYS A 27 0.346 -7.345 3.765 1.00 0.00 C ATOM 368 NZ LYS A 27 0.615 -7.537 5.217 1.00 0.00 N ATOM 0 H LYS A 27 -0.211 -4.294 0.090 1.00 0.00 H new ATOM 0 HA LYS A 27 1.305 -6.323 -1.428 1.00 0.00 H new ATOM 0 HB2 LYS A 27 0.863 -7.564 0.864 1.00 0.00 H new ATOM 0 HB3 LYS A 27 2.177 -6.413 0.715 1.00 0.00 H new ATOM 0 HG2 LYS A 27 0.729 -4.648 1.716 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -0.564 -5.818 1.888 1.00 0.00 H new ATOM 0 HD2 LYS A 27 2.153 -6.422 3.064 1.00 0.00 H new ATOM 0 HD3 LYS A 27 1.072 -5.330 3.907 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -0.723 -7.200 3.611 1.00 0.00 H new ATOM 0 HE3 LYS A 27 0.627 -8.247 3.222 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 0.079 -8.358 5.564 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 1.632 -7.701 5.363 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 0.323 -6.687 5.740 1.00 0.00 H new ATOM 382 N GLU A 28 -0.578 -7.839 -1.887 1.00 0.00 N ATOM 383 CA GLU A 28 -1.708 -8.661 -2.299 1.00 0.00 C ATOM 384 C GLU A 28 -1.473 -10.124 -1.928 1.00 0.00 C ATOM 385 O GLU A 28 -0.387 -10.663 -2.147 1.00 0.00 O ATOM 386 CB GLU A 28 -1.940 -8.537 -3.808 1.00 0.00 C ATOM 387 CG GLU A 28 -0.699 -8.143 -4.596 1.00 0.00 C ATOM 388 CD GLU A 28 -0.797 -8.513 -6.063 1.00 0.00 C ATOM 389 OE1 GLU A 28 -1.650 -7.931 -6.765 1.00 0.00 O ATOM 390 OE2 GLU A 28 -0.023 -9.385 -6.508 1.00 0.00 O ATOM 0 H GLU A 28 0.304 -8.083 -2.337 1.00 0.00 H new ATOM 0 HA GLU A 28 -2.595 -8.305 -1.775 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -2.311 -9.489 -4.187 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -2.720 -7.797 -3.985 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -0.542 -7.068 -4.506 1.00 0.00 H new ATOM 0 HG3 GLU A 28 0.173 -8.630 -4.160 1.00 0.00 H new ATOM 397 N TRP A 29 -2.500 -10.761 -1.369 1.00 0.00 N ATOM 398 CA TRP A 29 -2.407 -12.160 -0.969 1.00 0.00 C ATOM 399 C TRP A 29 -3.681 -12.918 -1.339 1.00 0.00 C ATOM 400 O TRP A 29 -4.753 -12.325 -1.460 1.00 0.00 O ATOM 401 CB TRP A 29 -2.147 -12.274 0.538 1.00 0.00 C ATOM 402 CG TRP A 29 -3.329 -11.937 1.389 1.00 0.00 C ATOM 403 CD1 TRP A 29 -4.020 -12.800 2.177 1.00 0.00 C ATOM 404 CD2 TRP A 29 -3.953 -10.656 1.548 1.00 0.00 C ATOM 405 NE1 TRP A 29 -5.046 -12.146 2.815 1.00 0.00 N ATOM 406 CE2 TRP A 29 -5.025 -10.826 2.445 1.00 0.00 C ATOM 407 CE3 TRP A 29 -3.713 -9.384 1.020 1.00 0.00 C ATOM 408 CZ2 TRP A 29 -5.854 -9.773 2.824 1.00 0.00 C ATOM 409 CZ3 TRP A 29 -4.538 -8.340 1.396 1.00 0.00 C ATOM 410 CH2 TRP A 29 -5.597 -8.541 2.291 1.00 0.00 C ATOM 0 H TRP A 29 -3.405 -10.329 -1.184 1.00 0.00 H new ATOM 0 HA TRP A 29 -1.570 -12.607 -1.505 1.00 0.00 H new ATOM 0 HB2 TRP A 29 -1.828 -13.291 0.765 1.00 0.00 H new ATOM 0 HB3 TRP A 29 -1.321 -11.614 0.804 1.00 0.00 H new ATOM 0 HD1 TRP A 29 -3.795 -13.851 2.287 1.00 0.00 H new ATOM 0 HE1 TRP A 29 -5.713 -12.572 3.458 1.00 0.00 H new ATOM 0 HE3 TRP A 29 -2.898 -9.220 0.331 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 -6.671 -9.925 3.514 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 -4.363 -7.353 0.993 1.00 0.00 H new ATOM 0 HH2 TRP A 29 -6.223 -7.705 2.565 1.00 0.00 H new ATOM 421 N ARG A 30 -3.556 -14.231 -1.511 1.00 0.00 N ATOM 422 CA ARG A 30 -4.699 -15.069 -1.863 1.00 0.00 C ATOM 423 C ARG A 30 -5.032 -16.030 -0.727 1.00 0.00 C ATOM 424 O ARG A 30 -4.148 -16.467 0.009 1.00 0.00 O ATOM 425 CB ARG A 30 -4.424 -15.856 -3.150 1.00 0.00 C ATOM 426 CG ARG A 30 -2.946 -16.011 -3.480 1.00 0.00 C ATOM 427 CD ARG A 30 -2.742 -16.654 -4.844 1.00 0.00 C ATOM 428 NE ARG A 30 -1.855 -15.865 -5.695 1.00 0.00 N ATOM 429 CZ ARG A 30 -2.251 -14.808 -6.402 1.00 0.00 C ATOM 430 NH1 ARG A 30 -3.515 -14.405 -6.358 1.00 0.00 N ATOM 431 NH2 ARG A 30 -1.378 -14.150 -7.153 1.00 0.00 N ATOM 0 H ARG A 30 -2.676 -14.737 -1.413 1.00 0.00 H new ATOM 0 HA ARG A 30 -5.554 -14.414 -2.032 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -4.871 -16.846 -3.060 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -4.921 -15.356 -3.982 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -2.464 -15.034 -3.462 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -2.463 -16.619 -2.715 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -2.326 -17.653 -4.715 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -3.707 -16.772 -5.337 1.00 0.00 H new ATOM 0 HE ARG A 30 -0.874 -16.140 -5.751 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -4.190 -14.906 -5.780 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -3.811 -13.595 -6.902 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -0.405 -14.454 -7.189 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -1.680 -13.340 -7.695 1.00 0.00 H new ATOM 445 N ASP A 31 -6.314 -16.354 -0.590 1.00 0.00 N ATOM 446 CA ASP A 31 -6.761 -17.265 0.459 1.00 0.00 C ATOM 447 C ASP A 31 -8.128 -17.856 0.129 1.00 0.00 C ATOM 448 O ASP A 31 -9.005 -17.168 -0.395 1.00 0.00 O ATOM 449 CB ASP A 31 -6.821 -16.535 1.803 1.00 0.00 C ATOM 450 CG ASP A 31 -7.713 -15.310 1.756 1.00 0.00 C ATOM 451 OD1 ASP A 31 -7.313 -14.308 1.128 1.00 0.00 O ATOM 452 OD2 ASP A 31 -8.812 -15.353 2.348 1.00 0.00 O ATOM 0 H ASP A 31 -7.060 -16.001 -1.190 1.00 0.00 H new ATOM 0 HA ASP A 31 -6.042 -18.081 0.524 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -7.187 -17.219 2.569 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -5.815 -16.237 2.097 1.00 0.00 H new ATOM 457 N ASN A 32 -8.302 -19.135 0.445 1.00 0.00 N ATOM 458 CA ASN A 32 -9.561 -19.827 0.191 1.00 0.00 C ATOM 459 C ASN A 32 -9.887 -19.852 -1.302 1.00 0.00 C ATOM 460 O ASN A 32 -9.618 -20.839 -1.986 1.00 0.00 O ATOM 461 CB ASN A 32 -10.698 -19.161 0.971 1.00 0.00 C ATOM 462 CG ASN A 32 -11.146 -19.991 2.158 1.00 0.00 C ATOM 463 OD1 ASN A 32 -12.065 -20.804 2.050 1.00 0.00 O ATOM 464 ND2 ASN A 32 -10.499 -19.791 3.300 1.00 0.00 N ATOM 0 H ASN A 32 -7.584 -19.715 0.879 1.00 0.00 H new ATOM 0 HA ASN A 32 -9.454 -20.858 0.530 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -10.372 -18.181 1.319 1.00 0.00 H new ATOM 0 HB3 ASN A 32 -11.545 -18.997 0.305 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -10.758 -20.321 4.132 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -9.743 -19.107 3.345 1.00 0.00 H new ATOM 471 N ARG A 33 -10.470 -18.765 -1.801 1.00 0.00 N ATOM 472 CA ARG A 33 -10.833 -18.671 -3.209 1.00 0.00 C ATOM 473 C ARG A 33 -10.235 -17.420 -3.844 1.00 0.00 C ATOM 474 O ARG A 33 -9.257 -17.497 -4.589 1.00 0.00 O ATOM 475 CB ARG A 33 -12.357 -18.662 -3.376 1.00 0.00 C ATOM 476 CG ARG A 33 -13.114 -18.185 -2.147 1.00 0.00 C ATOM 477 CD ARG A 33 -13.627 -19.351 -1.318 1.00 0.00 C ATOM 478 NE ARG A 33 -15.038 -19.630 -1.580 1.00 0.00 N ATOM 479 CZ ARG A 33 -16.026 -18.783 -1.301 1.00 0.00 C ATOM 480 NH1 ARG A 33 -15.763 -17.604 -0.750 1.00 0.00 N ATOM 481 NH2 ARG A 33 -17.280 -19.115 -1.575 1.00 0.00 N ATOM 0 H ARG A 33 -10.700 -17.938 -1.250 1.00 0.00 H new ATOM 0 HA ARG A 33 -10.427 -19.547 -3.716 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -12.615 -18.022 -4.220 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -12.690 -19.669 -3.626 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -12.461 -17.563 -1.535 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -13.952 -17.560 -2.455 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -13.035 -20.240 -1.537 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -13.492 -19.130 -0.259 1.00 0.00 H new ATOM 0 HE ARG A 33 -15.280 -20.527 -2.002 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -14.800 -17.343 -0.538 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -16.524 -16.959 -0.538 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -17.487 -20.019 -1.999 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -18.038 -18.466 -1.361 1.00 0.00 H new ATOM 495 N GLY A 34 -10.830 -16.270 -3.548 1.00 0.00 N ATOM 496 CA GLY A 34 -10.345 -15.019 -4.101 1.00 0.00 C ATOM 497 C GLY A 34 -9.138 -14.484 -3.358 1.00 0.00 C ATOM 498 O GLY A 34 -8.587 -15.158 -2.487 1.00 0.00 O ATOM 0 H GLY A 34 -11.640 -16.182 -2.935 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -10.086 -15.165 -5.150 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -11.144 -14.278 -4.070 1.00 0.00 H new ATOM 502 N TYR A 35 -8.726 -13.268 -3.703 1.00 0.00 N ATOM 503 CA TYR A 35 -7.574 -12.641 -3.064 1.00 0.00 C ATOM 504 C TYR A 35 -7.876 -11.192 -2.700 1.00 0.00 C ATOM 505 O TYR A 35 -8.824 -10.596 -3.212 1.00 0.00 O ATOM 506 CB TYR A 35 -6.350 -12.701 -3.981 1.00 0.00 C ATOM 507 CG TYR A 35 -6.683 -12.596 -5.454 1.00 0.00 C ATOM 508 CD1 TYR A 35 -6.743 -11.360 -6.085 1.00 0.00 C ATOM 509 CD2 TYR A 35 -6.933 -13.733 -6.211 1.00 0.00 C ATOM 510 CE1 TYR A 35 -7.047 -11.260 -7.430 1.00 0.00 C ATOM 511 CE2 TYR A 35 -7.237 -13.641 -7.556 1.00 0.00 C ATOM 512 CZ TYR A 35 -7.293 -12.403 -8.161 1.00 0.00 C ATOM 513 OH TYR A 35 -7.596 -12.308 -9.499 1.00 0.00 O ATOM 0 H TYR A 35 -9.172 -12.697 -4.421 1.00 0.00 H new ATOM 0 HA TYR A 35 -7.359 -13.193 -2.149 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -5.668 -11.894 -3.714 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -5.821 -13.637 -3.804 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -6.549 -10.463 -5.516 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -6.889 -14.705 -5.741 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -7.092 -10.291 -7.906 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -7.430 -14.535 -8.131 1.00 0.00 H new ATOM 0 HH TYR A 35 -7.740 -13.205 -9.866 1.00 0.00 H new ATOM 523 N ARG A 36 -7.062 -10.630 -1.812 1.00 0.00 N ATOM 524 CA ARG A 36 -7.238 -9.250 -1.378 1.00 0.00 C ATOM 525 C ARG A 36 -5.906 -8.506 -1.386 1.00 0.00 C ATOM 526 O ARG A 36 -4.842 -9.119 -1.471 1.00 0.00 O ATOM 527 CB ARG A 36 -7.850 -9.209 0.024 1.00 0.00 C ATOM 528 CG ARG A 36 -9.357 -9.018 0.024 1.00 0.00 C ATOM 529 CD ARG A 36 -10.079 -10.284 0.455 1.00 0.00 C ATOM 530 NE ARG A 36 -11.348 -10.455 -0.248 1.00 0.00 N ATOM 531 CZ ARG A 36 -12.488 -9.876 0.124 1.00 0.00 C ATOM 532 NH1 ARG A 36 -12.523 -9.081 1.187 1.00 0.00 N ATOM 533 NH2 ARG A 36 -13.596 -10.089 -0.573 1.00 0.00 N ATOM 0 H ARG A 36 -6.273 -11.110 -1.379 1.00 0.00 H new ATOM 0 HA ARG A 36 -7.914 -8.757 -2.076 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -7.610 -10.137 0.544 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -7.389 -8.399 0.589 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -9.621 -8.201 0.695 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -9.688 -8.731 -0.974 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -9.441 -11.147 0.267 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -10.261 -10.250 1.529 1.00 0.00 H new ATOM 0 HE ARG A 36 -11.362 -11.054 -1.074 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -11.673 -8.910 1.724 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -13.400 -8.641 1.466 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -13.574 -10.696 -1.393 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -14.470 -9.646 -0.289 1.00 0.00 H new ATOM 547 N THR A 37 -5.974 -7.184 -1.296 1.00 0.00 N ATOM 548 CA THR A 37 -4.774 -6.355 -1.290 1.00 0.00 C ATOM 549 C THR A 37 -4.954 -5.152 -0.373 1.00 0.00 C ATOM 550 O THR A 37 -5.889 -4.369 -0.540 1.00 0.00 O ATOM 551 CB THR A 37 -4.445 -5.886 -2.709 1.00 0.00 C ATOM 552 OG1 THR A 37 -3.272 -5.090 -2.713 1.00 0.00 O ATOM 553 CG2 THR A 37 -5.553 -5.073 -3.342 1.00 0.00 C ATOM 0 H THR A 37 -6.847 -6.662 -1.226 1.00 0.00 H new ATOM 0 HA THR A 37 -3.946 -6.957 -0.914 1.00 0.00 H new ATOM 0 HB THR A 37 -4.307 -6.797 -3.291 1.00 0.00 H new ATOM 0 HG1 THR A 37 -2.692 -5.359 -1.970 1.00 0.00 H new ATOM 0 HG21 THR A 37 -5.255 -4.772 -4.346 1.00 0.00 H new ATOM 0 HG22 THR A 37 -6.460 -5.675 -3.397 1.00 0.00 H new ATOM 0 HG23 THR A 37 -5.743 -4.185 -2.739 1.00 0.00 H new ATOM 561 N GLU A 38 -4.055 -5.007 0.595 1.00 0.00 N ATOM 562 CA GLU A 38 -4.121 -3.895 1.535 1.00 0.00 C ATOM 563 C GLU A 38 -3.027 -2.876 1.240 1.00 0.00 C ATOM 564 O GLU A 38 -1.972 -3.219 0.706 1.00 0.00 O ATOM 565 CB GLU A 38 -3.998 -4.390 2.982 1.00 0.00 C ATOM 566 CG GLU A 38 -3.240 -5.700 3.134 1.00 0.00 C ATOM 567 CD GLU A 38 -2.641 -5.866 4.517 1.00 0.00 C ATOM 568 OE1 GLU A 38 -2.014 -4.905 5.012 1.00 0.00 O ATOM 569 OE2 GLU A 38 -2.799 -6.956 5.105 1.00 0.00 O ATOM 0 H GLU A 38 -3.274 -5.645 0.749 1.00 0.00 H new ATOM 0 HA GLU A 38 -5.092 -3.415 1.415 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -3.498 -3.624 3.574 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -4.998 -4.512 3.398 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -3.914 -6.532 2.931 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -2.445 -5.745 2.389 1.00 0.00 H new ATOM 576 N ARG A 39 -3.288 -1.623 1.589 1.00 0.00 N ATOM 577 CA ARG A 39 -2.327 -0.554 1.358 1.00 0.00 C ATOM 578 C ARG A 39 -2.294 0.414 2.536 1.00 0.00 C ATOM 579 O ARG A 39 -3.029 0.249 3.509 1.00 0.00 O ATOM 580 CB ARG A 39 -2.671 0.196 0.070 1.00 0.00 C ATOM 581 CG ARG A 39 -2.802 -0.711 -1.142 1.00 0.00 C ATOM 582 CD ARG A 39 -4.254 -1.063 -1.423 1.00 0.00 C ATOM 583 NE ARG A 39 -4.925 -0.033 -2.212 1.00 0.00 N ATOM 584 CZ ARG A 39 -6.040 -0.241 -2.908 1.00 0.00 C ATOM 585 NH1 ARG A 39 -6.615 -1.437 -2.914 1.00 0.00 N ATOM 586 NH2 ARG A 39 -6.585 0.752 -3.599 1.00 0.00 N ATOM 0 H ARG A 39 -4.156 -1.323 2.032 1.00 0.00 H new ATOM 0 HA ARG A 39 -1.338 -1.002 1.256 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -3.607 0.737 0.212 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -1.899 0.941 -0.125 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -2.371 -0.219 -2.014 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -2.231 -1.625 -0.977 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -4.300 -2.014 -1.954 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -4.783 -1.199 -0.480 1.00 0.00 H new ATOM 0 HE ARG A 39 -4.515 0.901 -2.231 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -6.202 -2.204 -2.383 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -7.470 -1.589 -3.450 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -6.149 1.674 -3.597 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -7.440 0.593 -4.133 1.00 0.00 H new ATOM 600 N GLY A 40 -1.435 1.422 2.439 1.00 0.00 N ATOM 601 CA GLY A 40 -1.315 2.403 3.500 1.00 0.00 C ATOM 602 C GLY A 40 0.056 3.046 3.531 1.00 0.00 C ATOM 603 O GLY A 40 0.902 2.751 2.688 1.00 0.00 O ATOM 0 H GLY A 40 -0.818 1.577 1.642 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -2.073 3.174 3.367 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -1.512 1.924 4.459 1.00 0.00 H new ATOM 607 N CYS A 41 0.281 3.924 4.501 1.00 0.00 N ATOM 608 CA CYS A 41 1.564 4.604 4.628 1.00 0.00 C ATOM 609 C CYS A 41 2.594 3.703 5.301 1.00 0.00 C ATOM 610 O CYS A 41 2.357 3.172 6.386 1.00 0.00 O ATOM 611 CB CYS A 41 1.403 5.904 5.423 1.00 0.00 C ATOM 612 SG CYS A 41 1.400 7.405 4.390 1.00 0.00 S ATOM 0 H CYS A 41 -0.406 4.181 5.209 1.00 0.00 H new ATOM 0 HA CYS A 41 1.920 4.844 3.626 1.00 0.00 H new ATOM 0 HB2 CYS A 41 0.471 5.861 5.987 1.00 0.00 H new ATOM 0 HB3 CYS A 41 2.212 5.977 6.150 1.00 0.00 H new ATOM 617 N GLY A 42 3.738 3.532 4.645 1.00 0.00 N ATOM 618 CA GLY A 42 4.790 2.692 5.187 1.00 0.00 C ATOM 619 C GLY A 42 5.271 1.656 4.190 1.00 0.00 C ATOM 620 O GLY A 42 4.669 1.481 3.131 1.00 0.00 O ATOM 0 H GLY A 42 3.955 3.962 3.746 1.00 0.00 H new ATOM 0 HA2 GLY A 42 5.630 3.317 5.492 1.00 0.00 H new ATOM 0 HA3 GLY A 42 4.425 2.189 6.083 1.00 0.00 H new ATOM 624 N CYS A 43 6.357 0.968 4.526 1.00 0.00 N ATOM 625 CA CYS A 43 6.915 -0.054 3.649 1.00 0.00 C ATOM 626 C CYS A 43 7.500 -1.210 4.458 1.00 0.00 C ATOM 627 O CYS A 43 8.706 -1.453 4.430 1.00 0.00 O ATOM 628 CB CYS A 43 7.992 0.551 2.745 1.00 0.00 C ATOM 629 SG CYS A 43 8.370 -0.447 1.269 1.00 0.00 S ATOM 0 H CYS A 43 6.868 1.100 5.399 1.00 0.00 H new ATOM 0 HA CYS A 43 6.108 -0.443 3.029 1.00 0.00 H new ATOM 0 HB2 CYS A 43 7.670 1.543 2.427 1.00 0.00 H new ATOM 0 HB3 CYS A 43 8.906 0.683 3.325 1.00 0.00 H new ATOM 634 N PRO A 44 6.646 -1.943 5.195 1.00 0.00 N ATOM 635 CA PRO A 44 7.084 -3.079 6.014 1.00 0.00 C ATOM 636 C PRO A 44 7.802 -4.143 5.191 1.00 0.00 C ATOM 637 O PRO A 44 8.198 -3.898 4.051 1.00 0.00 O ATOM 638 CB PRO A 44 5.776 -3.641 6.584 1.00 0.00 C ATOM 639 CG PRO A 44 4.806 -2.514 6.504 1.00 0.00 C ATOM 640 CD PRO A 44 5.192 -1.724 5.287 1.00 0.00 C ATOM 0 HA PRO A 44 7.800 -2.774 6.778 1.00 0.00 H new ATOM 0 HB2 PRO A 44 5.431 -4.500 6.008 1.00 0.00 H new ATOM 0 HB3 PRO A 44 5.906 -3.978 7.612 1.00 0.00 H new ATOM 0 HG2 PRO A 44 3.784 -2.884 6.422 1.00 0.00 H new ATOM 0 HG3 PRO A 44 4.850 -1.896 7.401 1.00 0.00 H new ATOM 0 HD2 PRO A 44 4.674 -2.078 4.396 1.00 0.00 H new ATOM 0 HD3 PRO A 44 4.950 -0.667 5.399 1.00 0.00 H new ATOM 648 N SER A 45 7.967 -5.324 5.776 1.00 0.00 N ATOM 649 CA SER A 45 8.638 -6.427 5.098 1.00 0.00 C ATOM 650 C SER A 45 7.800 -7.701 5.174 1.00 0.00 C ATOM 651 O SER A 45 7.728 -8.347 6.219 1.00 0.00 O ATOM 652 CB SER A 45 10.014 -6.672 5.717 1.00 0.00 C ATOM 653 OG SER A 45 9.926 -6.798 7.126 1.00 0.00 O ATOM 0 H SER A 45 7.645 -5.542 6.719 1.00 0.00 H new ATOM 0 HA SER A 45 8.762 -6.155 4.050 1.00 0.00 H new ATOM 0 HB2 SER A 45 10.450 -7.577 5.295 1.00 0.00 H new ATOM 0 HB3 SER A 45 10.682 -5.849 5.464 1.00 0.00 H new ATOM 0 HG SER A 45 9.140 -7.335 7.358 1.00 0.00 H new ATOM 659 N VAL A 46 7.167 -8.053 4.060 1.00 0.00 N ATOM 660 CA VAL A 46 6.335 -9.243 3.996 1.00 0.00 C ATOM 661 C VAL A 46 7.179 -10.500 3.820 1.00 0.00 C ATOM 662 O VAL A 46 8.407 -10.429 3.744 1.00 0.00 O ATOM 663 CB VAL A 46 5.326 -9.151 2.839 1.00 0.00 C ATOM 664 CG1 VAL A 46 4.199 -8.190 3.184 1.00 0.00 C ATOM 665 CG2 VAL A 46 6.021 -8.731 1.552 1.00 0.00 C ATOM 0 H VAL A 46 7.216 -7.527 3.187 1.00 0.00 H new ATOM 0 HA VAL A 46 5.796 -9.305 4.941 1.00 0.00 H new ATOM 0 HB VAL A 46 4.893 -10.139 2.684 1.00 0.00 H new ATOM 0 HG11 VAL A 46 3.496 -8.140 2.352 1.00 0.00 H new ATOM 0 HG12 VAL A 46 3.681 -8.542 4.076 1.00 0.00 H new ATOM 0 HG13 VAL A 46 4.611 -7.198 3.372 1.00 0.00 H new ATOM 0 HG21 VAL A 46 5.290 -8.672 0.746 1.00 0.00 H new ATOM 0 HG22 VAL A 46 6.487 -7.755 1.692 1.00 0.00 H new ATOM 0 HG23 VAL A 46 6.785 -9.464 1.295 1.00 0.00 H new ATOM 675 N LYS A 47 6.515 -11.648 3.756 1.00 0.00 N ATOM 676 CA LYS A 47 7.205 -12.922 3.587 1.00 0.00 C ATOM 677 C LYS A 47 7.201 -13.354 2.124 1.00 0.00 C ATOM 678 O LYS A 47 6.771 -12.605 1.247 1.00 0.00 O ATOM 679 CB LYS A 47 6.546 -14.000 4.451 1.00 0.00 C ATOM 680 CG LYS A 47 5.122 -14.326 4.035 1.00 0.00 C ATOM 681 CD LYS A 47 4.345 -14.977 5.169 1.00 0.00 C ATOM 682 CE LYS A 47 2.847 -14.932 4.915 1.00 0.00 C ATOM 683 NZ LYS A 47 2.074 -14.764 6.176 1.00 0.00 N ATOM 0 H LYS A 47 5.500 -11.723 3.819 1.00 0.00 H new ATOM 0 HA LYS A 47 8.239 -12.792 3.905 1.00 0.00 H new ATOM 0 HB2 LYS A 47 7.146 -14.909 4.404 1.00 0.00 H new ATOM 0 HB3 LYS A 47 6.546 -13.671 5.490 1.00 0.00 H new ATOM 0 HG2 LYS A 47 4.615 -13.413 3.722 1.00 0.00 H new ATOM 0 HG3 LYS A 47 5.137 -14.993 3.173 1.00 0.00 H new ATOM 0 HD2 LYS A 47 4.665 -16.013 5.283 1.00 0.00 H new ATOM 0 HD3 LYS A 47 4.572 -14.468 6.106 1.00 0.00 H new ATOM 0 HE2 LYS A 47 2.618 -14.110 4.237 1.00 0.00 H new ATOM 0 HE3 LYS A 47 2.535 -15.851 4.418 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 1.057 -14.738 5.959 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 2.272 -15.562 6.813 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 2.352 -13.875 6.638 1.00 0.00 H new ATOM 697 N LYS A 48 7.684 -14.565 1.868 1.00 0.00 N ATOM 698 CA LYS A 48 7.737 -15.096 0.511 1.00 0.00 C ATOM 699 C LYS A 48 6.345 -15.496 0.027 1.00 0.00 C ATOM 700 O LYS A 48 5.586 -16.138 0.753 1.00 0.00 O ATOM 701 CB LYS A 48 8.681 -16.301 0.449 1.00 0.00 C ATOM 702 CG LYS A 48 9.965 -16.027 -0.319 1.00 0.00 C ATOM 703 CD LYS A 48 10.151 -17.008 -1.466 1.00 0.00 C ATOM 704 CE LYS A 48 10.698 -16.318 -2.706 1.00 0.00 C ATOM 705 NZ LYS A 48 10.564 -17.170 -3.920 1.00 0.00 N ATOM 0 H LYS A 48 8.044 -15.197 2.583 1.00 0.00 H new ATOM 0 HA LYS A 48 8.117 -14.313 -0.145 1.00 0.00 H new ATOM 0 HB2 LYS A 48 8.933 -16.608 1.464 1.00 0.00 H new ATOM 0 HB3 LYS A 48 8.160 -17.137 -0.017 1.00 0.00 H new ATOM 0 HG2 LYS A 48 9.946 -15.009 -0.709 1.00 0.00 H new ATOM 0 HG3 LYS A 48 10.816 -16.093 0.359 1.00 0.00 H new ATOM 0 HD2 LYS A 48 10.832 -17.802 -1.160 1.00 0.00 H new ATOM 0 HD3 LYS A 48 9.197 -17.479 -1.702 1.00 0.00 H new ATOM 0 HE2 LYS A 48 10.169 -15.378 -2.862 1.00 0.00 H new ATOM 0 HE3 LYS A 48 11.748 -16.070 -2.550 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 10.948 -16.664 -4.743 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 11.090 -18.056 -3.782 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 9.560 -17.386 -4.084 1.00 0.00 H new ATOM 719 N GLY A 49 6.019 -15.112 -1.202 1.00 0.00 N ATOM 720 CA GLY A 49 4.720 -15.439 -1.762 1.00 0.00 C ATOM 721 C GLY A 49 3.896 -14.204 -2.075 1.00 0.00 C ATOM 722 O GLY A 49 3.675 -13.876 -3.240 1.00 0.00 O ATOM 0 H GLY A 49 6.631 -14.580 -1.821 1.00 0.00 H new ATOM 0 HA2 GLY A 49 4.857 -16.021 -2.673 1.00 0.00 H new ATOM 0 HA3 GLY A 49 4.173 -16.069 -1.060 1.00 0.00 H new ATOM 726 N ILE A 50 3.442 -13.519 -1.030 1.00 0.00 N ATOM 727 CA ILE A 50 2.637 -12.314 -1.195 1.00 0.00 C ATOM 728 C ILE A 50 3.385 -11.260 -2.005 1.00 0.00 C ATOM 729 O ILE A 50 4.592 -11.080 -1.845 1.00 0.00 O ATOM 730 CB ILE A 50 2.239 -11.722 0.173 1.00 0.00 C ATOM 731 CG1 ILE A 50 1.587 -12.804 1.040 1.00 0.00 C ATOM 732 CG2 ILE A 50 1.303 -10.533 -0.010 1.00 0.00 C ATOM 733 CD1 ILE A 50 0.895 -12.266 2.275 1.00 0.00 C ATOM 0 H ILE A 50 3.618 -13.778 -0.059 1.00 0.00 H new ATOM 0 HA ILE A 50 1.734 -12.600 -1.735 1.00 0.00 H new ATOM 0 HB ILE A 50 3.136 -11.366 0.679 1.00 0.00 H new ATOM 0 HG12 ILE A 50 0.861 -13.350 0.438 1.00 0.00 H new ATOM 0 HG13 ILE A 50 2.350 -13.520 1.346 1.00 0.00 H new ATOM 0 HG21 ILE A 50 1.033 -10.129 0.966 1.00 0.00 H new ATOM 0 HG22 ILE A 50 1.804 -9.762 -0.596 1.00 0.00 H new ATOM 0 HG23 ILE A 50 0.402 -10.856 -0.531 1.00 0.00 H new ATOM 0 HD11 ILE A 50 0.458 -13.092 2.836 1.00 0.00 H new ATOM 0 HD12 ILE A 50 1.620 -11.745 2.900 1.00 0.00 H new ATOM 0 HD13 ILE A 50 0.108 -11.573 1.978 1.00 0.00 H new ATOM 745 N GLY A 51 2.659 -10.568 -2.879 1.00 0.00 N ATOM 746 CA GLY A 51 3.273 -9.542 -3.704 1.00 0.00 C ATOM 747 C GLY A 51 3.113 -8.154 -3.117 1.00 0.00 C ATOM 748 O GLY A 51 2.006 -7.617 -3.069 1.00 0.00 O ATOM 0 H GLY A 51 1.659 -10.699 -3.030 1.00 0.00 H new ATOM 0 HA2 GLY A 51 4.334 -9.763 -3.823 1.00 0.00 H new ATOM 0 HA3 GLY A 51 2.829 -9.566 -4.699 1.00 0.00 H new ATOM 752 N ILE A 52 4.221 -7.571 -2.668 1.00 0.00 N ATOM 753 CA ILE A 52 4.199 -6.237 -2.080 1.00 0.00 C ATOM 754 C ILE A 52 4.912 -5.227 -2.976 1.00 0.00 C ATOM 755 O ILE A 52 5.776 -5.589 -3.774 1.00 0.00 O ATOM 756 CB ILE A 52 4.855 -6.228 -0.685 1.00 0.00 C ATOM 757 CG1 ILE A 52 4.730 -4.844 -0.043 1.00 0.00 C ATOM 758 CG2 ILE A 52 6.315 -6.645 -0.779 1.00 0.00 C ATOM 759 CD1 ILE A 52 5.092 -4.825 1.427 1.00 0.00 C ATOM 0 H ILE A 52 5.145 -8.002 -2.701 1.00 0.00 H new ATOM 0 HA ILE A 52 3.152 -5.951 -1.982 1.00 0.00 H new ATOM 0 HB ILE A 52 4.333 -6.948 -0.054 1.00 0.00 H new ATOM 0 HG12 ILE A 52 5.374 -4.145 -0.577 1.00 0.00 H new ATOM 0 HG13 ILE A 52 3.707 -4.488 -0.162 1.00 0.00 H new ATOM 0 HG21 ILE A 52 6.762 -6.633 0.215 1.00 0.00 H new ATOM 0 HG22 ILE A 52 6.380 -7.651 -1.194 1.00 0.00 H new ATOM 0 HG23 ILE A 52 6.851 -5.950 -1.426 1.00 0.00 H new ATOM 0 HD11 ILE A 52 4.981 -3.813 1.816 1.00 0.00 H new ATOM 0 HD12 ILE A 52 4.431 -5.498 1.973 1.00 0.00 H new ATOM 0 HD13 ILE A 52 6.125 -5.150 1.552 1.00 0.00 H new ATOM 771 N ASN A 53 4.544 -3.958 -2.832 1.00 0.00 N ATOM 772 CA ASN A 53 5.148 -2.891 -3.623 1.00 0.00 C ATOM 773 C ASN A 53 4.935 -1.537 -2.954 1.00 0.00 C ATOM 774 O ASN A 53 3.838 -1.228 -2.489 1.00 0.00 O ATOM 775 CB ASN A 53 4.557 -2.876 -5.034 1.00 0.00 C ATOM 776 CG ASN A 53 3.067 -2.595 -5.035 1.00 0.00 C ATOM 777 OD1 ASN A 53 2.250 -3.510 -4.939 1.00 0.00 O ATOM 778 ND2 ASN A 53 2.706 -1.321 -5.143 1.00 0.00 N ATOM 0 H ASN A 53 3.830 -3.643 -2.175 1.00 0.00 H new ATOM 0 HA ASN A 53 6.219 -3.081 -3.690 1.00 0.00 H new ATOM 0 HB2 ASN A 53 5.067 -2.119 -5.630 1.00 0.00 H new ATOM 0 HB3 ASN A 53 4.743 -3.837 -5.513 1.00 0.00 H new ATOM 0 HD21 ASN A 53 1.717 -1.070 -5.149 1.00 0.00 H new ATOM 0 HD22 ASN A 53 3.417 -0.594 -5.220 1.00 0.00 H new ATOM 785 N CYS A 54 5.993 -0.733 -2.905 1.00 0.00 N ATOM 786 CA CYS A 54 5.920 0.587 -2.289 1.00 0.00 C ATOM 787 C CYS A 54 6.176 1.686 -3.315 1.00 0.00 C ATOM 788 O CYS A 54 7.018 1.542 -4.200 1.00 0.00 O ATOM 789 CB CYS A 54 6.933 0.695 -1.148 1.00 0.00 C ATOM 790 SG CYS A 54 6.626 -0.457 0.230 1.00 0.00 S ATOM 0 H CYS A 54 6.909 -0.972 -3.284 1.00 0.00 H new ATOM 0 HA CYS A 54 4.914 0.717 -1.890 1.00 0.00 H new ATOM 0 HB2 CYS A 54 7.932 0.512 -1.545 1.00 0.00 H new ATOM 0 HB3 CYS A 54 6.924 1.715 -0.764 1.00 0.00 H new ATOM 795 N CYS A 55 5.442 2.787 -3.186 1.00 0.00 N ATOM 796 CA CYS A 55 5.587 3.917 -4.098 1.00 0.00 C ATOM 797 C CYS A 55 5.756 5.219 -3.322 1.00 0.00 C ATOM 798 O CYS A 55 5.741 5.224 -2.091 1.00 0.00 O ATOM 799 CB CYS A 55 4.378 4.018 -5.036 1.00 0.00 C ATOM 800 SG CYS A 55 2.806 3.438 -4.314 1.00 0.00 S ATOM 0 H CYS A 55 4.740 2.921 -2.458 1.00 0.00 H new ATOM 0 HA CYS A 55 6.481 3.750 -4.699 1.00 0.00 H new ATOM 0 HB2 CYS A 55 4.260 5.057 -5.344 1.00 0.00 H new ATOM 0 HB3 CYS A 55 4.584 3.440 -5.937 1.00 0.00 H new ATOM 805 N THR A 56 5.920 6.322 -4.046 1.00 0.00 N ATOM 806 CA THR A 56 6.096 7.626 -3.417 1.00 0.00 C ATOM 807 C THR A 56 5.400 8.726 -4.215 1.00 0.00 C ATOM 808 O THR A 56 6.021 9.715 -4.602 1.00 0.00 O ATOM 809 CB THR A 56 7.584 7.946 -3.272 1.00 0.00 C ATOM 810 OG1 THR A 56 7.770 9.188 -2.617 1.00 0.00 O ATOM 811 CG2 THR A 56 8.315 8.012 -4.596 1.00 0.00 C ATOM 0 H THR A 56 5.935 6.339 -5.066 1.00 0.00 H new ATOM 0 HA THR A 56 5.639 7.585 -2.428 1.00 0.00 H new ATOM 0 HB THR A 56 7.998 7.125 -2.687 1.00 0.00 H new ATOM 0 HG1 THR A 56 7.303 9.893 -3.113 1.00 0.00 H new ATOM 0 HG21 THR A 56 9.366 8.243 -4.420 1.00 0.00 H new ATOM 0 HG22 THR A 56 8.235 7.051 -5.104 1.00 0.00 H new ATOM 0 HG23 THR A 56 7.872 8.790 -5.218 1.00 0.00 H new ATOM 819 N THR A 57 4.104 8.549 -4.454 1.00 0.00 N ATOM 820 CA THR A 57 3.325 9.532 -5.199 1.00 0.00 C ATOM 821 C THR A 57 1.868 9.530 -4.744 1.00 0.00 C ATOM 822 O THR A 57 1.415 8.598 -4.079 1.00 0.00 O ATOM 823 CB THR A 57 3.412 9.266 -6.708 1.00 0.00 C ATOM 824 OG1 THR A 57 2.347 9.901 -7.393 1.00 0.00 O ATOM 825 CG2 THR A 57 3.379 7.796 -7.075 1.00 0.00 C ATOM 0 H THR A 57 3.572 7.736 -4.143 1.00 0.00 H new ATOM 0 HA THR A 57 3.747 10.516 -4.997 1.00 0.00 H new ATOM 0 HB THR A 57 4.378 9.672 -7.008 1.00 0.00 H new ATOM 0 HG1 THR A 57 2.422 9.720 -8.353 1.00 0.00 H new ATOM 0 HG21 THR A 57 3.445 7.690 -8.158 1.00 0.00 H new ATOM 0 HG22 THR A 57 4.222 7.286 -6.609 1.00 0.00 H new ATOM 0 HG23 THR A 57 2.447 7.354 -6.723 1.00 0.00 H new ATOM 833 N ASP A 58 1.142 10.587 -5.095 1.00 0.00 N ATOM 834 CA ASP A 58 -0.258 10.719 -4.719 1.00 0.00 C ATOM 835 C ASP A 58 -1.107 9.613 -5.338 1.00 0.00 C ATOM 836 O ASP A 58 -0.997 9.322 -6.528 1.00 0.00 O ATOM 837 CB ASP A 58 -0.786 12.086 -5.154 1.00 0.00 C ATOM 838 CG ASP A 58 -0.429 12.417 -6.589 1.00 0.00 C ATOM 839 OD1 ASP A 58 0.713 12.865 -6.828 1.00 0.00 O ATOM 840 OD2 ASP A 58 -1.290 12.230 -7.473 1.00 0.00 O ATOM 0 H ASP A 58 1.504 11.368 -5.642 1.00 0.00 H new ATOM 0 HA ASP A 58 -0.326 10.629 -3.635 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -1.870 12.107 -5.039 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -0.381 12.855 -4.496 1.00 0.00 H new ATOM 845 N ARG A 59 -1.961 9.003 -4.517 1.00 0.00 N ATOM 846 CA ARG A 59 -2.840 7.930 -4.977 1.00 0.00 C ATOM 847 C ARG A 59 -2.059 6.872 -5.753 1.00 0.00 C ATOM 848 O ARG A 59 -2.601 6.215 -6.642 1.00 0.00 O ATOM 849 CB ARG A 59 -3.957 8.498 -5.852 1.00 0.00 C ATOM 850 CG ARG A 59 -4.939 9.376 -5.093 1.00 0.00 C ATOM 851 CD ARG A 59 -6.293 9.421 -5.784 1.00 0.00 C ATOM 852 NE ARG A 59 -6.261 10.236 -6.996 1.00 0.00 N ATOM 853 CZ ARG A 59 -6.315 11.566 -6.998 1.00 0.00 C ATOM 854 NH1 ARG A 59 -6.406 12.235 -5.856 1.00 0.00 N ATOM 855 NH2 ARG A 59 -6.278 12.228 -8.146 1.00 0.00 N ATOM 0 H ARG A 59 -2.062 9.234 -3.529 1.00 0.00 H new ATOM 0 HA ARG A 59 -3.278 7.456 -4.099 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -3.514 9.079 -6.661 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -4.501 7.673 -6.313 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -5.059 8.997 -4.078 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -4.537 10.386 -5.010 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -6.605 8.408 -6.036 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -7.038 9.822 -5.097 1.00 0.00 H new ATOM 0 HE ARG A 59 -6.193 9.757 -7.894 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -6.435 11.730 -4.970 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -6.447 13.254 -5.864 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -6.208 11.718 -9.027 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -6.319 13.247 -8.149 1.00 0.00 H new ATOM 869 N CYS A 60 -0.785 6.715 -5.413 1.00 0.00 N ATOM 870 CA CYS A 60 0.070 5.744 -6.077 1.00 0.00 C ATOM 871 C CYS A 60 -0.444 4.320 -5.871 1.00 0.00 C ATOM 872 O CYS A 60 -0.121 3.418 -6.644 1.00 0.00 O ATOM 873 CB CYS A 60 1.505 5.878 -5.560 1.00 0.00 C ATOM 874 SG CYS A 60 1.795 5.152 -3.913 1.00 0.00 S ATOM 0 H CYS A 60 -0.322 7.251 -4.679 1.00 0.00 H new ATOM 0 HA CYS A 60 0.055 5.948 -7.148 1.00 0.00 H new ATOM 0 HB2 CYS A 60 2.179 5.405 -6.274 1.00 0.00 H new ATOM 0 HB3 CYS A 60 1.767 6.936 -5.527 1.00 0.00 H new ATOM 879 N ASN A 61 -1.243 4.124 -4.827 1.00 0.00 N ATOM 880 CA ASN A 61 -1.797 2.810 -4.526 1.00 0.00 C ATOM 881 C ASN A 61 -3.288 2.761 -4.843 1.00 0.00 C ATOM 882 O ASN A 61 -4.101 2.370 -4.004 1.00 0.00 O ATOM 883 CB ASN A 61 -1.560 2.460 -3.055 1.00 0.00 C ATOM 884 CG ASN A 61 -2.079 3.530 -2.116 1.00 0.00 C ATOM 885 OD1 ASN A 61 -2.811 4.431 -2.526 1.00 0.00 O ATOM 886 ND2 ASN A 61 -1.701 3.436 -0.847 1.00 0.00 N ATOM 0 H ASN A 61 -1.521 4.858 -4.176 1.00 0.00 H new ATOM 0 HA ASN A 61 -1.290 2.076 -5.152 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -2.048 1.512 -2.827 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -0.493 2.318 -2.885 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -2.018 4.128 -0.168 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -1.093 2.672 -0.551 1.00 0.00 H new ATOM 893 N ASN A 62 -3.643 3.160 -6.061 1.00 0.00 N ATOM 894 CA ASN A 62 -5.037 3.161 -6.488 1.00 0.00 C ATOM 895 C ASN A 62 -5.501 1.751 -6.835 1.00 0.00 C ATOM 896 O ASN A 62 -4.738 1.025 -7.506 1.00 0.00 O ATOM 897 CB ASN A 62 -5.221 4.081 -7.697 1.00 0.00 C ATOM 898 CG ASN A 62 -6.672 4.196 -8.120 1.00 0.00 C ATOM 899 OD1 ASN A 62 -7.235 3.269 -8.704 1.00 0.00 O ATOM 900 ND2 ASN A 62 -7.287 5.336 -7.827 1.00 0.00 N ATOM 901 OXT ASN A 62 -6.624 1.383 -6.432 1.00 0.00 O ATOM 0 H ASN A 62 -2.985 3.486 -6.768 1.00 0.00 H new ATOM 0 HA ASN A 62 -5.643 3.531 -5.661 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -4.835 5.072 -7.458 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -4.631 3.702 -8.532 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -8.264 5.470 -8.087 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -6.782 6.078 -7.342 1.00 0.00 H new