USER MOD reduce.3.24.130724 H: found=0, std=0, add=434, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 434 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 5 ASN : amide:sc= 1.24 K(o=2.5,f=-9.2!) USER MOD Set 1.2: A 13 THR OG1 : rot 34:sc= 1.26 USER MOD Single : A 1 LEU N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 HIS : no HE2:sc= -2.07 K(o=-2.1,f=-3.5) USER MOD Single : A 6 GLN : amide:sc= -0.176 K(o=-0.18,f=-1.4!) USER MOD Single : A 7 GLN : amide:sc= -1.42 X(o=-1.4,f=-1.3) USER MOD Single : A 8 SER OG : rot -5:sc= 0.576 USER MOD Single : A 9 SER OG : rot 180:sc= -0.0282 USER MOD Single : A 10 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 11 THR OG1 : rot -57:sc= 0.669 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 22 ASN : amide:sc= -0.303 K(o=-0.3,f=-1.1) USER MOD Single : A 23 ASN : amide:sc= -0.445 X(o=-0.45,f=-0.067) USER MOD Single : A 25 TYR OH : rot 74:sc= 0.12 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ -102:sc= -0.0315 (180deg=-1.39!) USER MOD Single : A 32 ASN : amide:sc= -0.11 X(o=-0.11,f=-0.11) USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 THR OG1 : rot -31:sc= -1.43! USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ -108:sc= -0.442 (180deg=-1.58!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 ASN : amide:sc= -3.63 K(o=-3.6,f=-7.4!) USER MOD Single : A 56 THR OG1 : rot -58:sc= 1.13 USER MOD Single : A 57 THR OG1 : rot 180:sc= -0.181 USER MOD Single : A 61 ASN : amide:sc= -5.07 K(o=-5.1,f=-14!) USER MOD Single : A 62 ASN : amide:sc= -0.499 K(o=-0.5,f=-3.7!) USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 1.566 13.670 1.641 1.00 0.00 N ATOM 2 CA LEU A 1 1.211 12.696 0.575 1.00 0.00 C ATOM 3 C LEU A 1 -0.108 11.994 0.886 1.00 0.00 C ATOM 4 O LEU A 1 -0.321 11.517 2.000 1.00 0.00 O ATOM 5 CB LEU A 1 2.341 11.670 0.459 1.00 0.00 C ATOM 6 CG LEU A 1 2.315 10.820 -0.814 1.00 0.00 C ATOM 7 CD1 LEU A 1 3.698 10.764 -1.449 1.00 0.00 C ATOM 8 CD2 LEU A 1 1.811 9.418 -0.511 1.00 0.00 C ATOM 0 H1 LEU A 1 2.467 14.132 1.403 1.00 0.00 H new ATOM 0 H2 LEU A 1 0.818 14.389 1.718 1.00 0.00 H new ATOM 0 H3 LEU A 1 1.662 13.172 2.549 1.00 0.00 H new ATOM 0 HA LEU A 1 1.085 13.227 -0.369 1.00 0.00 H new ATOM 0 HB2 LEU A 1 3.295 12.195 0.508 1.00 0.00 H new ATOM 0 HB3 LEU A 1 2.298 11.006 1.322 1.00 0.00 H new ATOM 0 HG LEU A 1 1.630 11.286 -1.522 1.00 0.00 H new ATOM 0 HD11 LEU A 1 3.659 10.155 -2.352 1.00 0.00 H new ATOM 0 HD12 LEU A 1 4.022 11.773 -1.705 1.00 0.00 H new ATOM 0 HD13 LEU A 1 4.404 10.324 -0.745 1.00 0.00 H new ATOM 0 HD21 LEU A 1 1.800 8.829 -1.428 1.00 0.00 H new ATOM 0 HD22 LEU A 1 2.470 8.944 0.217 1.00 0.00 H new ATOM 0 HD23 LEU A 1 0.802 9.474 -0.104 1.00 0.00 H new ATOM 22 N GLU A 2 -0.990 11.938 -0.107 1.00 0.00 N ATOM 23 CA GLU A 2 -2.288 11.297 0.060 1.00 0.00 C ATOM 24 C GLU A 2 -2.305 9.919 -0.596 1.00 0.00 C ATOM 25 O GLU A 2 -1.748 9.729 -1.677 1.00 0.00 O ATOM 26 CB GLU A 2 -3.394 12.172 -0.535 1.00 0.00 C ATOM 27 CG GLU A 2 -4.667 12.194 0.295 1.00 0.00 C ATOM 28 CD GLU A 2 -5.331 13.556 0.305 1.00 0.00 C ATOM 29 OE1 GLU A 2 -4.831 14.456 1.012 1.00 0.00 O ATOM 30 OE2 GLU A 2 -6.353 13.724 -0.395 1.00 0.00 O ATOM 0 H GLU A 2 -0.829 12.329 -1.035 1.00 0.00 H new ATOM 0 HA GLU A 2 -2.468 11.173 1.128 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -3.022 13.191 -0.641 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -3.630 11.813 -1.537 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -5.366 11.456 -0.098 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -4.435 11.899 1.318 1.00 0.00 H new ATOM 37 N CYS A 3 -2.945 8.961 0.066 1.00 0.00 N ATOM 38 CA CYS A 3 -3.035 7.601 -0.452 1.00 0.00 C ATOM 39 C CYS A 3 -4.391 6.984 -0.127 1.00 0.00 C ATOM 40 O CYS A 3 -5.191 7.568 0.603 1.00 0.00 O ATOM 41 CB CYS A 3 -1.914 6.737 0.129 1.00 0.00 C ATOM 42 SG CYS A 3 -0.457 6.583 -0.955 1.00 0.00 S ATOM 0 H CYS A 3 -3.409 9.102 0.963 1.00 0.00 H new ATOM 0 HA CYS A 3 -2.927 7.643 -1.536 1.00 0.00 H new ATOM 0 HB2 CYS A 3 -1.601 7.160 1.083 1.00 0.00 H new ATOM 0 HB3 CYS A 3 -2.307 5.741 0.336 1.00 0.00 H new ATOM 47 N HIS A 4 -4.643 5.798 -0.675 1.00 0.00 N ATOM 48 CA HIS A 4 -5.900 5.102 -0.445 1.00 0.00 C ATOM 49 C HIS A 4 -5.859 4.321 0.864 1.00 0.00 C ATOM 50 O HIS A 4 -4.786 4.038 1.396 1.00 0.00 O ATOM 51 CB HIS A 4 -6.190 4.155 -1.609 1.00 0.00 C ATOM 52 CG HIS A 4 -6.759 4.841 -2.811 1.00 0.00 C ATOM 53 ND1 HIS A 4 -8.111 5.041 -2.996 1.00 0.00 N ATOM 54 CD2 HIS A 4 -6.150 5.377 -3.895 1.00 0.00 C ATOM 55 CE1 HIS A 4 -8.309 5.670 -4.141 1.00 0.00 C ATOM 56 NE2 HIS A 4 -7.136 5.885 -4.705 1.00 0.00 N ATOM 0 H HIS A 4 -3.991 5.301 -1.282 1.00 0.00 H new ATOM 0 HA HIS A 4 -6.696 5.844 -0.376 1.00 0.00 H new ATOM 0 HB2 HIS A 4 -5.268 3.648 -1.893 1.00 0.00 H new ATOM 0 HB3 HIS A 4 -6.887 3.386 -1.276 1.00 0.00 H new ATOM 0 HD1 HIS A 4 -8.844 4.749 -2.350 1.00 0.00 H new ATOM 0 HD2 HIS A 4 -5.087 5.401 -4.087 1.00 0.00 H new ATOM 0 HE1 HIS A 4 -9.268 5.959 -4.546 1.00 0.00 H new ATOM 65 N ASN A 5 -7.034 3.976 1.379 1.00 0.00 N ATOM 66 CA ASN A 5 -7.133 3.228 2.627 1.00 0.00 C ATOM 67 C ASN A 5 -8.015 1.997 2.460 1.00 0.00 C ATOM 68 O ASN A 5 -7.682 0.911 2.934 1.00 0.00 O ATOM 69 CB ASN A 5 -7.686 4.121 3.739 1.00 0.00 C ATOM 70 CG ASN A 5 -8.927 4.864 3.321 1.00 0.00 C ATOM 71 OD1 ASN A 5 -9.404 4.729 2.194 1.00 0.00 O ATOM 72 ND2 ASN A 5 -9.458 5.657 4.236 1.00 0.00 N ATOM 0 H ASN A 5 -7.932 4.203 0.951 1.00 0.00 H new ATOM 0 HA ASN A 5 -6.131 2.897 2.901 1.00 0.00 H new ATOM 0 HB2 ASN A 5 -7.910 3.510 4.613 1.00 0.00 H new ATOM 0 HB3 ASN A 5 -6.921 4.838 4.039 1.00 0.00 H new ATOM 0 HD21 ASN A 5 -10.300 6.191 4.022 1.00 0.00 H new ATOM 0 HD22 ASN A 5 -9.025 5.735 5.156 1.00 0.00 H new ATOM 79 N GLN A 6 -9.143 2.175 1.782 1.00 0.00 N ATOM 80 CA GLN A 6 -10.078 1.080 1.551 1.00 0.00 C ATOM 81 C GLN A 6 -9.437 -0.014 0.703 1.00 0.00 C ATOM 82 O GLN A 6 -8.522 0.248 -0.077 1.00 0.00 O ATOM 83 CB GLN A 6 -11.343 1.599 0.864 1.00 0.00 C ATOM 84 CG GLN A 6 -12.571 0.742 1.127 1.00 0.00 C ATOM 85 CD GLN A 6 -13.554 1.406 2.071 1.00 0.00 C ATOM 86 OE1 GLN A 6 -13.206 2.342 2.792 1.00 0.00 O ATOM 87 NE2 GLN A 6 -14.792 0.925 2.072 1.00 0.00 N ATOM 0 H GLN A 6 -9.432 3.068 1.382 1.00 0.00 H new ATOM 0 HA GLN A 6 -10.346 0.654 2.518 1.00 0.00 H new ATOM 0 HB2 GLN A 6 -11.540 2.616 1.203 1.00 0.00 H new ATOM 0 HB3 GLN A 6 -11.168 1.650 -0.211 1.00 0.00 H new ATOM 0 HG2 GLN A 6 -13.069 0.528 0.181 1.00 0.00 H new ATOM 0 HG3 GLN A 6 -12.259 -0.214 1.547 1.00 0.00 H new ATOM 0 HE21 GLN A 6 -15.038 0.148 1.458 1.00 0.00 H new ATOM 0 HE22 GLN A 6 -15.497 1.333 2.686 1.00 0.00 H new ATOM 96 N GLN A 7 -9.924 -1.241 0.863 1.00 0.00 N ATOM 97 CA GLN A 7 -9.399 -2.376 0.113 1.00 0.00 C ATOM 98 C GLN A 7 -10.453 -3.470 -0.022 1.00 0.00 C ATOM 99 O GLN A 7 -11.526 -3.389 0.575 1.00 0.00 O ATOM 100 CB GLN A 7 -8.154 -2.934 0.803 1.00 0.00 C ATOM 101 CG GLN A 7 -8.353 -3.216 2.283 1.00 0.00 C ATOM 102 CD GLN A 7 -7.856 -2.086 3.163 1.00 0.00 C ATOM 103 OE1 GLN A 7 -8.647 -1.315 3.707 1.00 0.00 O ATOM 104 NE2 GLN A 7 -6.541 -1.983 3.307 1.00 0.00 N ATOM 0 H GLN A 7 -10.681 -1.474 1.505 1.00 0.00 H new ATOM 0 HA GLN A 7 -9.130 -2.030 -0.885 1.00 0.00 H new ATOM 0 HB2 GLN A 7 -7.854 -3.855 0.303 1.00 0.00 H new ATOM 0 HB3 GLN A 7 -7.334 -2.225 0.684 1.00 0.00 H new ATOM 0 HG2 GLN A 7 -9.412 -3.385 2.478 1.00 0.00 H new ATOM 0 HG3 GLN A 7 -7.830 -4.135 2.548 1.00 0.00 H new ATOM 0 HE21 GLN A 7 -5.923 -2.645 2.837 1.00 0.00 H new ATOM 0 HE22 GLN A 7 -6.148 -1.242 3.888 1.00 0.00 H new ATOM 113 N SER A 8 -10.140 -4.494 -0.811 1.00 0.00 N ATOM 114 CA SER A 8 -11.059 -5.608 -1.024 1.00 0.00 C ATOM 115 C SER A 8 -12.434 -5.111 -1.466 1.00 0.00 C ATOM 116 O SER A 8 -13.452 -5.744 -1.185 1.00 0.00 O ATOM 117 CB SER A 8 -11.194 -6.437 0.254 1.00 0.00 C ATOM 118 OG SER A 8 -11.955 -5.749 1.232 1.00 0.00 O ATOM 0 H SER A 8 -9.256 -4.575 -1.314 1.00 0.00 H new ATOM 0 HA SER A 8 -10.648 -6.234 -1.816 1.00 0.00 H new ATOM 0 HB2 SER A 8 -11.669 -7.391 0.024 1.00 0.00 H new ATOM 0 HB3 SER A 8 -10.204 -6.662 0.651 1.00 0.00 H new ATOM 0 HG SER A 8 -12.168 -4.849 0.907 1.00 0.00 H new ATOM 124 N SER A 9 -12.456 -3.977 -2.157 1.00 0.00 N ATOM 125 CA SER A 9 -13.708 -3.399 -2.635 1.00 0.00 C ATOM 126 C SER A 9 -13.447 -2.180 -3.514 1.00 0.00 C ATOM 127 O SER A 9 -12.431 -1.502 -3.369 1.00 0.00 O ATOM 128 CB SER A 9 -14.597 -3.007 -1.452 1.00 0.00 C ATOM 129 OG SER A 9 -15.657 -2.165 -1.869 1.00 0.00 O ATOM 0 H SER A 9 -11.623 -3.440 -2.399 1.00 0.00 H new ATOM 0 HA SER A 9 -14.220 -4.152 -3.234 1.00 0.00 H new ATOM 0 HB2 SER A 9 -15.003 -3.904 -0.985 1.00 0.00 H new ATOM 0 HB3 SER A 9 -13.999 -2.497 -0.697 1.00 0.00 H new ATOM 0 HG SER A 9 -16.211 -1.930 -1.096 1.00 0.00 H new ATOM 135 N GLN A 10 -14.375 -1.908 -4.427 1.00 0.00 N ATOM 136 CA GLN A 10 -14.249 -0.771 -5.331 1.00 0.00 C ATOM 137 C GLN A 10 -14.669 0.523 -4.640 1.00 0.00 C ATOM 138 O GLN A 10 -14.972 0.529 -3.448 1.00 0.00 O ATOM 139 CB GLN A 10 -15.098 -0.995 -6.584 1.00 0.00 C ATOM 140 CG GLN A 10 -14.334 -1.644 -7.727 1.00 0.00 C ATOM 141 CD GLN A 10 -14.285 -0.774 -8.967 1.00 0.00 C ATOM 142 OE1 GLN A 10 -14.738 -1.175 -10.039 1.00 0.00 O ATOM 143 NE2 GLN A 10 -13.731 0.425 -8.827 1.00 0.00 N ATOM 0 H GLN A 10 -15.222 -2.460 -4.560 1.00 0.00 H new ATOM 0 HA GLN A 10 -13.202 -0.682 -5.621 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -15.952 -1.621 -6.327 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -15.495 -0.037 -6.920 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -13.317 -1.862 -7.401 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -14.801 -2.597 -7.975 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -13.368 0.716 -7.919 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -13.668 1.054 -9.627 1.00 0.00 H new ATOM 152 N THR A 11 -14.684 1.616 -5.402 1.00 0.00 N ATOM 153 CA THR A 11 -15.067 2.926 -4.874 1.00 0.00 C ATOM 154 C THR A 11 -14.423 3.189 -3.511 1.00 0.00 C ATOM 155 O THR A 11 -15.109 3.515 -2.541 1.00 0.00 O ATOM 156 CB THR A 11 -16.591 3.032 -4.766 1.00 0.00 C ATOM 157 OG1 THR A 11 -16.971 4.306 -4.277 1.00 0.00 O ATOM 158 CG2 THR A 11 -17.205 1.990 -3.856 1.00 0.00 C ATOM 0 H THR A 11 -14.434 1.620 -6.391 1.00 0.00 H new ATOM 0 HA THR A 11 -14.705 3.683 -5.569 1.00 0.00 H new ATOM 0 HB THR A 11 -16.962 2.868 -5.778 1.00 0.00 H new ATOM 0 HG1 THR A 11 -16.539 4.466 -3.412 1.00 0.00 H new ATOM 0 HG21 THR A 11 -18.286 2.124 -3.827 1.00 0.00 H new ATOM 0 HG22 THR A 11 -16.973 0.994 -4.234 1.00 0.00 H new ATOM 0 HG23 THR A 11 -16.798 2.100 -2.851 1.00 0.00 H new ATOM 166 N PRO A 12 -13.089 3.051 -3.420 1.00 0.00 N ATOM 167 CA PRO A 12 -12.355 3.276 -2.172 1.00 0.00 C ATOM 168 C PRO A 12 -12.278 4.754 -1.803 1.00 0.00 C ATOM 169 O PRO A 12 -12.867 5.602 -2.471 1.00 0.00 O ATOM 170 CB PRO A 12 -10.960 2.729 -2.481 1.00 0.00 C ATOM 171 CG PRO A 12 -10.817 2.875 -3.956 1.00 0.00 C ATOM 172 CD PRO A 12 -12.192 2.667 -4.529 1.00 0.00 C ATOM 0 HA PRO A 12 -12.839 2.796 -1.321 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -10.189 3.288 -1.951 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -10.866 1.687 -2.175 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -10.432 3.861 -4.215 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -10.114 2.143 -4.354 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -12.357 3.285 -5.411 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -12.348 1.632 -4.832 1.00 0.00 H new ATOM 180 N THR A 13 -11.546 5.053 -0.734 1.00 0.00 N ATOM 181 CA THR A 13 -11.392 6.429 -0.275 1.00 0.00 C ATOM 182 C THR A 13 -9.916 6.808 -0.184 1.00 0.00 C ATOM 183 O THR A 13 -9.039 6.007 -0.504 1.00 0.00 O ATOM 184 CB THR A 13 -12.063 6.613 1.086 1.00 0.00 C ATOM 185 OG1 THR A 13 -11.877 5.465 1.897 1.00 0.00 O ATOM 186 CG2 THR A 13 -13.552 6.869 0.989 1.00 0.00 C ATOM 0 H THR A 13 -11.051 4.362 -0.170 1.00 0.00 H new ATOM 0 HA THR A 13 -11.874 7.085 -1.000 1.00 0.00 H new ATOM 0 HB THR A 13 -11.587 7.489 1.526 1.00 0.00 H new ATOM 0 HG1 THR A 13 -11.001 5.069 1.707 1.00 0.00 H new ATOM 0 HG21 THR A 13 -13.966 6.990 1.990 1.00 0.00 H new ATOM 0 HG22 THR A 13 -13.728 7.776 0.411 1.00 0.00 H new ATOM 0 HG23 THR A 13 -14.035 6.025 0.496 1.00 0.00 H new ATOM 194 N THR A 14 -9.652 8.034 0.256 1.00 0.00 N ATOM 195 CA THR A 14 -8.283 8.518 0.388 1.00 0.00 C ATOM 196 C THR A 14 -8.060 9.151 1.758 1.00 0.00 C ATOM 197 O THR A 14 -8.988 9.683 2.366 1.00 0.00 O ATOM 198 CB THR A 14 -7.969 9.533 -0.712 1.00 0.00 C ATOM 199 OG1 THR A 14 -8.733 10.713 -0.539 1.00 0.00 O ATOM 200 CG2 THR A 14 -8.243 9.008 -2.105 1.00 0.00 C ATOM 0 H THR A 14 -10.367 8.709 0.527 1.00 0.00 H new ATOM 0 HA THR A 14 -7.612 7.665 0.287 1.00 0.00 H new ATOM 0 HB THR A 14 -6.902 9.737 -0.621 1.00 0.00 H new ATOM 0 HG1 THR A 14 -8.517 11.350 -1.251 1.00 0.00 H new ATOM 0 HG21 THR A 14 -7.999 9.777 -2.838 1.00 0.00 H new ATOM 0 HG22 THR A 14 -7.631 8.125 -2.288 1.00 0.00 H new ATOM 0 HG23 THR A 14 -9.297 8.743 -2.193 1.00 0.00 H new ATOM 208 N THR A 15 -6.821 9.090 2.238 1.00 0.00 N ATOM 209 CA THR A 15 -6.476 9.657 3.536 1.00 0.00 C ATOM 210 C THR A 15 -4.999 10.033 3.590 1.00 0.00 C ATOM 211 O THR A 15 -4.124 9.180 3.439 1.00 0.00 O ATOM 212 CB THR A 15 -6.803 8.663 4.652 1.00 0.00 C ATOM 213 OG1 THR A 15 -6.479 9.206 5.920 1.00 0.00 O ATOM 214 CG2 THR A 15 -6.068 7.347 4.516 1.00 0.00 C ATOM 0 H THR A 15 -6.040 8.654 1.747 1.00 0.00 H new ATOM 0 HA THR A 15 -7.067 10.561 3.679 1.00 0.00 H new ATOM 0 HB THR A 15 -7.873 8.475 4.565 1.00 0.00 H new ATOM 0 HG1 THR A 15 -6.697 8.556 6.620 1.00 0.00 H new ATOM 0 HG21 THR A 15 -6.345 6.689 5.339 1.00 0.00 H new ATOM 0 HG22 THR A 15 -6.335 6.877 3.570 1.00 0.00 H new ATOM 0 HG23 THR A 15 -4.993 7.526 4.541 1.00 0.00 H new ATOM 222 N GLY A 16 -4.728 11.317 3.799 1.00 0.00 N ATOM 223 CA GLY A 16 -3.366 11.787 3.862 1.00 0.00 C ATOM 224 C GLY A 16 -2.717 11.519 5.205 1.00 0.00 C ATOM 225 O GLY A 16 -3.258 11.887 6.248 1.00 0.00 O ATOM 0 H GLY A 16 -5.436 12.041 3.926 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -2.783 11.304 3.078 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -3.346 12.858 3.660 1.00 0.00 H new ATOM 229 N CYS A 17 -1.554 10.875 5.182 1.00 0.00 N ATOM 230 CA CYS A 17 -0.830 10.559 6.408 1.00 0.00 C ATOM 231 C CYS A 17 -0.061 11.773 6.916 1.00 0.00 C ATOM 232 O CYS A 17 0.011 12.801 6.243 1.00 0.00 O ATOM 233 CB CYS A 17 0.132 9.394 6.170 1.00 0.00 C ATOM 234 SG CYS A 17 -0.669 7.885 5.537 1.00 0.00 S ATOM 0 H CYS A 17 -1.093 10.562 4.328 1.00 0.00 H new ATOM 0 HA CYS A 17 -1.559 10.271 7.166 1.00 0.00 H new ATOM 0 HB2 CYS A 17 0.899 9.709 5.463 1.00 0.00 H new ATOM 0 HB3 CYS A 17 0.639 9.158 7.106 1.00 0.00 H new ATOM 239 N SER A 18 0.512 11.648 8.109 1.00 0.00 N ATOM 240 CA SER A 18 1.276 12.735 8.708 1.00 0.00 C ATOM 241 C SER A 18 2.433 12.193 9.543 1.00 0.00 C ATOM 242 O SER A 18 2.268 11.239 10.303 1.00 0.00 O ATOM 243 CB SER A 18 0.368 13.606 9.578 1.00 0.00 C ATOM 244 OG SER A 18 0.967 14.863 9.841 1.00 0.00 O ATOM 0 H SER A 18 0.461 10.804 8.680 1.00 0.00 H new ATOM 0 HA SER A 18 1.687 13.343 7.902 1.00 0.00 H new ATOM 0 HB2 SER A 18 -0.589 13.753 9.077 1.00 0.00 H new ATOM 0 HB3 SER A 18 0.160 13.095 10.518 1.00 0.00 H new ATOM 0 HG SER A 18 0.366 15.402 10.397 1.00 0.00 H new ATOM 250 N GLY A 19 3.601 12.809 9.397 1.00 0.00 N ATOM 251 CA GLY A 19 4.766 12.376 10.145 1.00 0.00 C ATOM 252 C GLY A 19 5.861 11.830 9.249 1.00 0.00 C ATOM 253 O GLY A 19 6.263 10.673 9.382 1.00 0.00 O ATOM 0 H GLY A 19 3.762 13.600 8.774 1.00 0.00 H new ATOM 0 HA2 GLY A 19 5.157 13.215 10.721 1.00 0.00 H new ATOM 0 HA3 GLY A 19 4.470 11.609 10.860 1.00 0.00 H new ATOM 257 N GLY A 20 6.348 12.666 8.335 1.00 0.00 N ATOM 258 CA GLY A 20 7.400 12.249 7.428 1.00 0.00 C ATOM 259 C GLY A 20 7.097 10.928 6.746 1.00 0.00 C ATOM 260 O GLY A 20 7.884 9.984 6.830 1.00 0.00 O ATOM 0 H GLY A 20 6.031 13.627 8.208 1.00 0.00 H new ATOM 0 HA2 GLY A 20 7.547 13.019 6.670 1.00 0.00 H new ATOM 0 HA3 GLY A 20 8.336 12.162 7.980 1.00 0.00 H new ATOM 264 N GLU A 21 5.955 10.861 6.069 1.00 0.00 N ATOM 265 CA GLU A 21 5.551 9.647 5.372 1.00 0.00 C ATOM 266 C GLU A 21 5.136 9.956 3.938 1.00 0.00 C ATOM 267 O GLU A 21 4.124 10.617 3.702 1.00 0.00 O ATOM 268 CB GLU A 21 4.398 8.967 6.113 1.00 0.00 C ATOM 269 CG GLU A 21 4.356 7.459 5.919 1.00 0.00 C ATOM 270 CD GLU A 21 4.279 6.703 7.230 1.00 0.00 C ATOM 271 OE1 GLU A 21 3.325 6.945 8.000 1.00 0.00 O ATOM 272 OE2 GLU A 21 5.172 5.868 7.488 1.00 0.00 O ATOM 0 H GLU A 21 5.294 11.633 5.989 1.00 0.00 H new ATOM 0 HA GLU A 21 6.406 8.971 5.347 1.00 0.00 H new ATOM 0 HB2 GLU A 21 4.482 9.186 7.177 1.00 0.00 H new ATOM 0 HB3 GLU A 21 3.455 9.395 5.773 1.00 0.00 H new ATOM 0 HG2 GLU A 21 3.494 7.200 5.304 1.00 0.00 H new ATOM 0 HG3 GLU A 21 5.245 7.142 5.373 1.00 0.00 H new ATOM 279 N ASN A 22 5.923 9.474 2.981 1.00 0.00 N ATOM 280 CA ASN A 22 5.636 9.699 1.569 1.00 0.00 C ATOM 281 C ASN A 22 5.664 8.388 0.790 1.00 0.00 C ATOM 282 O ASN A 22 5.961 8.371 -0.405 1.00 0.00 O ATOM 283 CB ASN A 22 6.648 10.680 0.973 1.00 0.00 C ATOM 284 CG ASN A 22 6.778 11.947 1.794 1.00 0.00 C ATOM 285 OD1 ASN A 22 5.823 12.386 2.435 1.00 0.00 O ATOM 286 ND2 ASN A 22 7.966 12.542 1.780 1.00 0.00 N ATOM 0 H ASN A 22 6.764 8.925 3.158 1.00 0.00 H new ATOM 0 HA ASN A 22 4.635 10.125 1.491 1.00 0.00 H new ATOM 0 HB2 ASN A 22 7.622 10.195 0.902 1.00 0.00 H new ATOM 0 HB3 ASN A 22 6.346 10.938 -0.042 1.00 0.00 H new ATOM 0 HD21 ASN A 22 8.114 13.398 2.315 1.00 0.00 H new ATOM 0 HD22 ASN A 22 8.730 12.143 1.234 1.00 0.00 H new ATOM 293 N ASN A 23 5.352 7.291 1.473 1.00 0.00 N ATOM 294 CA ASN A 23 5.343 5.977 0.843 1.00 0.00 C ATOM 295 C ASN A 23 4.096 5.191 1.236 1.00 0.00 C ATOM 296 O ASN A 23 3.584 5.335 2.347 1.00 0.00 O ATOM 297 CB ASN A 23 6.596 5.196 1.235 1.00 0.00 C ATOM 298 CG ASN A 23 7.867 5.863 0.748 1.00 0.00 C ATOM 299 OD1 ASN A 23 8.532 6.579 1.498 1.00 0.00 O ATOM 300 ND2 ASN A 23 8.209 5.633 -0.513 1.00 0.00 N ATOM 0 H ASN A 23 5.102 7.287 2.462 1.00 0.00 H new ATOM 0 HA ASN A 23 5.333 6.119 -0.238 1.00 0.00 H new ATOM 0 HB2 ASN A 23 6.634 5.096 2.320 1.00 0.00 H new ATOM 0 HB3 ASN A 23 6.537 4.188 0.823 1.00 0.00 H new ATOM 0 HD21 ASN A 23 9.053 6.056 -0.898 1.00 0.00 H new ATOM 0 HD22 ASN A 23 7.628 5.033 -1.098 1.00 0.00 H new ATOM 307 N CYS A 24 3.612 4.360 0.319 1.00 0.00 N ATOM 308 CA CYS A 24 2.427 3.550 0.570 1.00 0.00 C ATOM 309 C CYS A 24 2.610 2.137 0.030 1.00 0.00 C ATOM 310 O CYS A 24 2.804 1.940 -1.170 1.00 0.00 O ATOM 311 CB CYS A 24 1.197 4.197 -0.067 1.00 0.00 C ATOM 312 SG CYS A 24 1.017 5.973 0.301 1.00 0.00 S ATOM 0 H CYS A 24 4.023 4.230 -0.605 1.00 0.00 H new ATOM 0 HA CYS A 24 2.280 3.491 1.648 1.00 0.00 H new ATOM 0 HB2 CYS A 24 1.248 4.064 -1.148 1.00 0.00 H new ATOM 0 HB3 CYS A 24 0.305 3.673 0.277 1.00 0.00 H new ATOM 317 N TYR A 25 2.561 1.156 0.925 1.00 0.00 N ATOM 318 CA TYR A 25 2.733 -0.230 0.550 1.00 0.00 C ATOM 319 C TYR A 25 1.454 -0.818 -0.040 1.00 0.00 C ATOM 320 O TYR A 25 0.363 -0.279 0.142 1.00 0.00 O ATOM 321 CB TYR A 25 3.180 -1.047 1.765 1.00 0.00 C ATOM 322 CG TYR A 25 2.065 -1.364 2.738 1.00 0.00 C ATOM 323 CD1 TYR A 25 1.633 -0.419 3.661 1.00 0.00 C ATOM 324 CD2 TYR A 25 1.443 -2.609 2.733 1.00 0.00 C ATOM 325 CE1 TYR A 25 0.615 -0.703 4.551 1.00 0.00 C ATOM 326 CE2 TYR A 25 0.423 -2.900 3.620 1.00 0.00 C ATOM 327 CZ TYR A 25 0.014 -1.944 4.526 1.00 0.00 C ATOM 328 OH TYR A 25 -1.001 -2.229 5.411 1.00 0.00 O ATOM 0 H TYR A 25 2.402 1.304 1.922 1.00 0.00 H new ATOM 0 HA TYR A 25 3.502 -0.276 -0.221 1.00 0.00 H new ATOM 0 HB2 TYR A 25 3.623 -1.981 1.419 1.00 0.00 H new ATOM 0 HB3 TYR A 25 3.962 -0.499 2.291 1.00 0.00 H new ATOM 0 HD1 TYR A 25 2.101 0.554 3.683 1.00 0.00 H new ATOM 0 HD2 TYR A 25 1.762 -3.360 2.025 1.00 0.00 H new ATOM 0 HE1 TYR A 25 0.292 0.043 5.262 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -0.051 -3.870 3.603 1.00 0.00 H new ATOM 0 HH TYR A 25 -1.815 -1.756 5.139 1.00 0.00 H new ATOM 338 N LYS A 26 1.605 -1.937 -0.738 1.00 0.00 N ATOM 339 CA LYS A 26 0.479 -2.627 -1.354 1.00 0.00 C ATOM 340 C LYS A 26 0.763 -4.121 -1.423 1.00 0.00 C ATOM 341 O LYS A 26 1.437 -4.593 -2.339 1.00 0.00 O ATOM 342 CB LYS A 26 0.213 -2.077 -2.756 1.00 0.00 C ATOM 343 CG LYS A 26 -1.080 -2.587 -3.374 1.00 0.00 C ATOM 344 CD LYS A 26 -0.884 -3.011 -4.822 1.00 0.00 C ATOM 345 CE LYS A 26 -1.759 -2.201 -5.766 1.00 0.00 C ATOM 346 NZ LYS A 26 -3.155 -2.716 -5.808 1.00 0.00 N ATOM 0 H LYS A 26 2.506 -2.389 -0.892 1.00 0.00 H new ATOM 0 HA LYS A 26 -0.409 -2.459 -0.744 1.00 0.00 H new ATOM 0 HB2 LYS A 26 0.180 -0.988 -2.710 1.00 0.00 H new ATOM 0 HB3 LYS A 26 1.047 -2.343 -3.406 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -1.451 -3.432 -2.795 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -1.840 -1.807 -3.323 1.00 0.00 H new ATOM 0 HD2 LYS A 26 0.163 -2.887 -5.099 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -1.119 -4.070 -4.926 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -1.766 -1.158 -5.449 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -1.332 -2.227 -6.769 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -3.719 -2.137 -6.462 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -3.151 -3.703 -6.135 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -3.572 -2.668 -4.856 1.00 0.00 H new ATOM 360 N LYS A 27 0.267 -4.862 -0.438 1.00 0.00 N ATOM 361 CA LYS A 27 0.491 -6.297 -0.378 1.00 0.00 C ATOM 362 C LYS A 27 -0.775 -7.078 -0.717 1.00 0.00 C ATOM 363 O LYS A 27 -1.833 -6.857 -0.127 1.00 0.00 O ATOM 364 CB LYS A 27 0.995 -6.691 1.011 1.00 0.00 C ATOM 365 CG LYS A 27 0.370 -5.899 2.148 1.00 0.00 C ATOM 366 CD LYS A 27 0.942 -6.313 3.494 1.00 0.00 C ATOM 367 CE LYS A 27 0.044 -7.322 4.193 1.00 0.00 C ATOM 368 NZ LYS A 27 0.476 -8.723 3.934 1.00 0.00 N ATOM 0 H LYS A 27 -0.293 -4.490 0.329 1.00 0.00 H new ATOM 0 HA LYS A 27 1.246 -6.548 -1.122 1.00 0.00 H new ATOM 0 HB2 LYS A 27 0.797 -7.751 1.170 1.00 0.00 H new ATOM 0 HB3 LYS A 27 2.077 -6.560 1.043 1.00 0.00 H new ATOM 0 HG2 LYS A 27 0.543 -4.835 1.990 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -0.709 -6.050 2.148 1.00 0.00 H new ATOM 0 HD2 LYS A 27 1.934 -6.743 3.353 1.00 0.00 H new ATOM 0 HD3 LYS A 27 1.063 -5.433 4.126 1.00 0.00 H new ATOM 0 HE2 LYS A 27 0.052 -7.132 5.266 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -0.983 -7.190 3.853 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -0.143 -9.150 3.216 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 1.458 -8.726 3.591 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 0.415 -9.273 4.814 1.00 0.00 H new ATOM 382 N GLU A 28 -0.653 -7.997 -1.672 1.00 0.00 N ATOM 383 CA GLU A 28 -1.775 -8.822 -2.096 1.00 0.00 C ATOM 384 C GLU A 28 -1.565 -10.273 -1.675 1.00 0.00 C ATOM 385 O GLU A 28 -0.437 -10.768 -1.664 1.00 0.00 O ATOM 386 CB GLU A 28 -1.949 -8.742 -3.614 1.00 0.00 C ATOM 387 CG GLU A 28 -0.644 -8.579 -4.379 1.00 0.00 C ATOM 388 CD GLU A 28 -0.247 -7.125 -4.552 1.00 0.00 C ATOM 389 OE1 GLU A 28 -0.709 -6.284 -3.754 1.00 0.00 O ATOM 390 OE2 GLU A 28 0.526 -6.829 -5.487 1.00 0.00 O ATOM 0 H GLU A 28 0.218 -8.188 -2.168 1.00 0.00 H new ATOM 0 HA GLU A 28 -2.677 -8.445 -1.614 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -2.451 -9.646 -3.960 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -2.604 -7.904 -3.851 1.00 0.00 H new ATOM 0 HG2 GLU A 28 0.150 -9.108 -3.852 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -0.741 -9.044 -5.360 1.00 0.00 H new ATOM 397 N TRP A 29 -2.655 -10.950 -1.329 1.00 0.00 N ATOM 398 CA TRP A 29 -2.584 -12.345 -0.908 1.00 0.00 C ATOM 399 C TRP A 29 -3.828 -13.111 -1.351 1.00 0.00 C ATOM 400 O TRP A 29 -4.916 -12.543 -1.451 1.00 0.00 O ATOM 401 CB TRP A 29 -2.419 -12.441 0.613 1.00 0.00 C ATOM 402 CG TRP A 29 -3.648 -12.072 1.384 1.00 0.00 C ATOM 403 CD1 TRP A 29 -4.377 -12.903 2.172 1.00 0.00 C ATOM 404 CD2 TRP A 29 -4.283 -10.788 1.452 1.00 0.00 C ATOM 405 NE1 TRP A 29 -5.438 -12.226 2.723 1.00 0.00 N ATOM 406 CE2 TRP A 29 -5.402 -10.925 2.297 1.00 0.00 C ATOM 407 CE3 TRP A 29 -4.020 -9.539 0.881 1.00 0.00 C ATOM 408 CZ2 TRP A 29 -6.254 -9.861 2.584 1.00 0.00 C ATOM 409 CZ3 TRP A 29 -4.867 -8.484 1.168 1.00 0.00 C ATOM 410 CH2 TRP A 29 -5.971 -8.650 2.011 1.00 0.00 C ATOM 0 H TRP A 29 -3.596 -10.557 -1.332 1.00 0.00 H new ATOM 0 HA TRP A 29 -1.713 -12.796 -1.384 1.00 0.00 H new ATOM 0 HB2 TRP A 29 -2.132 -13.460 0.873 1.00 0.00 H new ATOM 0 HB3 TRP A 29 -1.600 -11.790 0.921 1.00 0.00 H new ATOM 0 HD1 TRP A 29 -4.155 -13.946 2.341 1.00 0.00 H new ATOM 0 HE1 TRP A 29 -6.138 -12.627 3.347 1.00 0.00 H new ATOM 0 HE3 TRP A 29 -3.171 -9.401 0.228 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 -7.107 -9.987 3.235 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 -4.673 -7.515 0.733 1.00 0.00 H new ATOM 0 HH2 TRP A 29 -6.613 -7.806 2.214 1.00 0.00 H new ATOM 421 N ARG A 30 -3.659 -14.402 -1.611 1.00 0.00 N ATOM 422 CA ARG A 30 -4.766 -15.245 -2.040 1.00 0.00 C ATOM 423 C ARG A 30 -5.617 -15.671 -0.850 1.00 0.00 C ATOM 424 O ARG A 30 -5.216 -15.510 0.303 1.00 0.00 O ATOM 425 CB ARG A 30 -4.244 -16.479 -2.778 1.00 0.00 C ATOM 426 CG ARG A 30 -3.020 -17.109 -2.132 1.00 0.00 C ATOM 427 CD ARG A 30 -2.794 -18.527 -2.632 1.00 0.00 C ATOM 428 NE ARG A 30 -2.161 -19.369 -1.619 1.00 0.00 N ATOM 429 CZ ARG A 30 -2.761 -19.754 -0.495 1.00 0.00 C ATOM 430 NH1 ARG A 30 -4.007 -19.376 -0.237 1.00 0.00 N ATOM 431 NH2 ARG A 30 -2.114 -20.520 0.373 1.00 0.00 N ATOM 0 H ARG A 30 -2.765 -14.887 -1.532 1.00 0.00 H new ATOM 0 HA ARG A 30 -5.389 -14.663 -2.720 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -5.039 -17.223 -2.830 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -4.000 -16.201 -3.803 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -2.141 -16.502 -2.347 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -3.143 -17.119 -1.049 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -3.748 -18.965 -2.923 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -2.169 -18.502 -3.525 1.00 0.00 H new ATOM 0 HE ARG A 30 -1.203 -19.680 -1.783 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -4.509 -18.788 -0.902 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -4.462 -19.674 0.626 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -1.157 -20.814 0.179 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -2.574 -20.815 1.234 1.00 0.00 H new ATOM 445 N ASP A 31 -6.794 -16.214 -1.137 1.00 0.00 N ATOM 446 CA ASP A 31 -7.704 -16.660 -0.089 1.00 0.00 C ATOM 447 C ASP A 31 -8.701 -17.681 -0.627 1.00 0.00 C ATOM 448 O ASP A 31 -9.863 -17.356 -0.877 1.00 0.00 O ATOM 449 CB ASP A 31 -8.449 -15.467 0.510 1.00 0.00 C ATOM 450 CG ASP A 31 -9.062 -14.576 -0.554 1.00 0.00 C ATOM 451 OD1 ASP A 31 -8.373 -13.646 -1.019 1.00 0.00 O ATOM 452 OD2 ASP A 31 -10.233 -14.811 -0.922 1.00 0.00 O ATOM 0 H ASP A 31 -7.140 -16.356 -2.086 1.00 0.00 H new ATOM 0 HA ASP A 31 -7.111 -17.138 0.691 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -9.234 -15.828 1.174 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -7.761 -14.881 1.119 1.00 0.00 H new ATOM 457 N ASN A 32 -8.242 -18.916 -0.799 1.00 0.00 N ATOM 458 CA ASN A 32 -9.091 -19.992 -1.302 1.00 0.00 C ATOM 459 C ASN A 32 -9.438 -19.787 -2.774 1.00 0.00 C ATOM 460 O ASN A 32 -9.083 -20.605 -3.623 1.00 0.00 O ATOM 461 CB ASN A 32 -10.376 -20.092 -0.475 1.00 0.00 C ATOM 462 CG ASN A 32 -10.107 -20.064 1.017 1.00 0.00 C ATOM 463 OD1 ASN A 32 -9.432 -20.942 1.555 1.00 0.00 O ATOM 464 ND2 ASN A 32 -10.636 -19.052 1.695 1.00 0.00 N ATOM 0 H ASN A 32 -7.283 -19.198 -0.597 1.00 0.00 H new ATOM 0 HA ASN A 32 -8.531 -20.923 -1.210 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -11.039 -19.267 -0.737 1.00 0.00 H new ATOM 0 HB3 ASN A 32 -10.898 -21.014 -0.730 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -10.489 -18.981 2.702 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -11.189 -18.346 1.209 1.00 0.00 H new ATOM 471 N ARG A 33 -10.140 -18.698 -3.073 1.00 0.00 N ATOM 472 CA ARG A 33 -10.538 -18.401 -4.448 1.00 0.00 C ATOM 473 C ARG A 33 -9.729 -17.237 -5.023 1.00 0.00 C ATOM 474 O ARG A 33 -8.723 -17.449 -5.699 1.00 0.00 O ATOM 475 CB ARG A 33 -12.042 -18.091 -4.525 1.00 0.00 C ATOM 476 CG ARG A 33 -12.654 -17.640 -3.206 1.00 0.00 C ATOM 477 CD ARG A 33 -14.171 -17.587 -3.285 1.00 0.00 C ATOM 478 NE ARG A 33 -14.712 -16.384 -2.654 1.00 0.00 N ATOM 479 CZ ARG A 33 -14.620 -16.123 -1.351 1.00 0.00 C ATOM 480 NH1 ARG A 33 -14.004 -16.973 -0.539 1.00 0.00 N ATOM 481 NH2 ARG A 33 -15.145 -15.009 -0.861 1.00 0.00 N ATOM 0 H ARG A 33 -10.445 -18.008 -2.386 1.00 0.00 H new ATOM 0 HA ARG A 33 -10.331 -19.287 -5.048 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -12.204 -17.314 -5.272 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -12.568 -18.981 -4.871 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -12.354 -18.323 -2.412 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -12.268 -16.655 -2.942 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -14.481 -17.619 -4.330 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -14.590 -18.469 -2.801 1.00 0.00 H new ATOM 0 HE ARG A 33 -15.188 -15.704 -3.247 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -13.598 -17.831 -0.912 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -13.937 -16.768 0.458 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -15.619 -14.353 -1.481 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -15.075 -14.808 0.137 1.00 0.00 H new ATOM 495 N GLY A 34 -10.175 -16.012 -4.760 1.00 0.00 N ATOM 496 CA GLY A 34 -9.481 -14.844 -5.272 1.00 0.00 C ATOM 497 C GLY A 34 -8.430 -14.318 -4.312 1.00 0.00 C ATOM 498 O GLY A 34 -8.274 -14.835 -3.206 1.00 0.00 O ATOM 0 H GLY A 34 -11.004 -15.808 -4.202 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -9.007 -15.095 -6.221 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -10.206 -14.057 -5.477 1.00 0.00 H new ATOM 502 N TYR A 35 -7.709 -13.285 -4.740 1.00 0.00 N ATOM 503 CA TYR A 35 -6.668 -12.684 -3.913 1.00 0.00 C ATOM 504 C TYR A 35 -6.997 -11.229 -3.596 1.00 0.00 C ATOM 505 O TYR A 35 -7.389 -10.463 -4.475 1.00 0.00 O ATOM 506 CB TYR A 35 -5.302 -12.771 -4.608 1.00 0.00 C ATOM 507 CG TYR A 35 -5.382 -12.895 -6.115 1.00 0.00 C ATOM 508 CD1 TYR A 35 -5.567 -14.131 -6.718 1.00 0.00 C ATOM 509 CD2 TYR A 35 -5.268 -11.775 -6.930 1.00 0.00 C ATOM 510 CE1 TYR A 35 -5.638 -14.251 -8.093 1.00 0.00 C ATOM 511 CE2 TYR A 35 -5.339 -11.887 -8.306 1.00 0.00 C ATOM 512 CZ TYR A 35 -5.524 -13.125 -8.882 1.00 0.00 C ATOM 513 OH TYR A 35 -5.594 -13.240 -10.252 1.00 0.00 O ATOM 0 H TYR A 35 -7.827 -12.847 -5.654 1.00 0.00 H new ATOM 0 HA TYR A 35 -6.623 -13.243 -2.978 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -4.722 -11.883 -4.358 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -4.759 -13.629 -4.212 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -5.657 -15.014 -6.103 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -5.122 -10.803 -6.482 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -5.782 -15.220 -8.547 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -5.250 -11.008 -8.927 1.00 0.00 H new ATOM 0 HH TYR A 35 -5.497 -12.354 -10.660 1.00 0.00 H new ATOM 523 N ARG A 36 -6.833 -10.858 -2.330 1.00 0.00 N ATOM 524 CA ARG A 36 -7.111 -9.497 -1.889 1.00 0.00 C ATOM 525 C ARG A 36 -5.846 -8.646 -1.923 1.00 0.00 C ATOM 526 O ARG A 36 -4.776 -9.125 -2.298 1.00 0.00 O ATOM 527 CB ARG A 36 -7.692 -9.511 -0.474 1.00 0.00 C ATOM 528 CG ARG A 36 -8.998 -10.281 -0.361 1.00 0.00 C ATOM 529 CD ARG A 36 -10.194 -9.346 -0.284 1.00 0.00 C ATOM 530 NE ARG A 36 -11.297 -9.798 -1.129 1.00 0.00 N ATOM 531 CZ ARG A 36 -12.133 -10.779 -0.795 1.00 0.00 C ATOM 532 NH1 ARG A 36 -11.999 -11.407 0.367 1.00 0.00 N ATOM 533 NH2 ARG A 36 -13.106 -11.132 -1.623 1.00 0.00 N ATOM 0 H ARG A 36 -6.509 -11.482 -1.591 1.00 0.00 H new ATOM 0 HA ARG A 36 -7.839 -9.059 -2.572 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -6.961 -9.949 0.206 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -7.856 -8.484 -0.147 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -9.107 -10.942 -1.221 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -8.972 -10.914 0.526 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -10.534 -9.276 0.749 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -9.891 -8.344 -0.588 1.00 0.00 H new ATOM 0 HE ARG A 36 -11.435 -9.335 -2.027 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -11.253 -11.139 1.009 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -12.642 -12.158 0.618 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -13.215 -10.652 -2.516 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -13.746 -11.884 -1.367 1.00 0.00 H new ATOM 547 N THR A 37 -5.974 -7.382 -1.532 1.00 0.00 N ATOM 548 CA THR A 37 -4.836 -6.469 -1.522 1.00 0.00 C ATOM 549 C THR A 37 -5.087 -5.289 -0.588 1.00 0.00 C ATOM 550 O THR A 37 -6.039 -4.531 -0.775 1.00 0.00 O ATOM 551 CB THR A 37 -4.555 -5.960 -2.937 1.00 0.00 C ATOM 552 OG1 THR A 37 -4.643 -7.017 -3.876 1.00 0.00 O ATOM 553 CG2 THR A 37 -3.188 -5.328 -3.084 1.00 0.00 C ATOM 0 H THR A 37 -6.852 -6.967 -1.219 1.00 0.00 H new ATOM 0 HA THR A 37 -3.968 -7.017 -1.157 1.00 0.00 H new ATOM 0 HB THR A 37 -5.312 -5.199 -3.127 1.00 0.00 H new ATOM 0 HG1 THR A 37 -4.381 -7.858 -3.447 1.00 0.00 H new ATOM 0 HG21 THR A 37 -3.053 -4.988 -4.111 1.00 0.00 H new ATOM 0 HG22 THR A 37 -3.105 -4.478 -2.407 1.00 0.00 H new ATOM 0 HG23 THR A 37 -2.420 -6.062 -2.840 1.00 0.00 H new ATOM 561 N GLU A 38 -4.224 -5.135 0.412 1.00 0.00 N ATOM 562 CA GLU A 38 -4.353 -4.044 1.367 1.00 0.00 C ATOM 563 C GLU A 38 -3.241 -3.021 1.172 1.00 0.00 C ATOM 564 O GLU A 38 -2.174 -3.339 0.643 1.00 0.00 O ATOM 565 CB GLU A 38 -4.324 -4.575 2.803 1.00 0.00 C ATOM 566 CG GLU A 38 -3.492 -5.833 2.988 1.00 0.00 C ATOM 567 CD GLU A 38 -3.632 -6.425 4.376 1.00 0.00 C ATOM 568 OE1 GLU A 38 -3.854 -5.654 5.332 1.00 0.00 O ATOM 569 OE2 GLU A 38 -3.520 -7.663 4.508 1.00 0.00 O ATOM 0 H GLU A 38 -3.429 -5.752 0.580 1.00 0.00 H new ATOM 0 HA GLU A 38 -5.312 -3.557 1.191 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -3.934 -3.796 3.458 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -5.346 -4.779 3.123 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -3.793 -6.575 2.248 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -2.444 -5.602 2.800 1.00 0.00 H new ATOM 576 N ARG A 39 -3.500 -1.790 1.600 1.00 0.00 N ATOM 577 CA ARG A 39 -2.525 -0.715 1.472 1.00 0.00 C ATOM 578 C ARG A 39 -2.342 0.017 2.798 1.00 0.00 C ATOM 579 O ARG A 39 -2.918 -0.369 3.815 1.00 0.00 O ATOM 580 CB ARG A 39 -2.966 0.271 0.388 1.00 0.00 C ATOM 581 CG ARG A 39 -4.325 0.899 0.656 1.00 0.00 C ATOM 582 CD ARG A 39 -5.156 1.002 -0.614 1.00 0.00 C ATOM 583 NE ARG A 39 -5.767 -0.276 -0.974 1.00 0.00 N ATOM 584 CZ ARG A 39 -5.278 -1.107 -1.894 1.00 0.00 C ATOM 585 NH1 ARG A 39 -4.167 -0.806 -2.558 1.00 0.00 N ATOM 586 NH2 ARG A 39 -5.903 -2.247 -2.152 1.00 0.00 N ATOM 0 H ARG A 39 -4.378 -1.513 2.039 1.00 0.00 H new ATOM 0 HA ARG A 39 -1.569 -1.156 1.188 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -2.220 1.061 0.301 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -2.996 -0.245 -0.571 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -4.862 0.304 1.395 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -4.189 1.892 1.084 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -5.936 1.751 -0.477 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -4.525 1.346 -1.433 1.00 0.00 H new ATOM 0 HE ARG A 39 -6.622 -0.549 -0.490 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -3.679 0.069 -2.366 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -3.802 -1.450 -3.260 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -6.756 -2.487 -1.647 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -5.531 -2.885 -2.856 1.00 0.00 H new ATOM 600 N GLY A 40 -1.535 1.073 2.778 1.00 0.00 N ATOM 601 CA GLY A 40 -1.289 1.841 3.984 1.00 0.00 C ATOM 602 C GLY A 40 0.042 2.564 3.948 1.00 0.00 C ATOM 603 O GLY A 40 0.863 2.324 3.063 1.00 0.00 O ATOM 0 H GLY A 40 -1.047 1.410 1.948 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -2.090 2.568 4.118 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -1.314 1.175 4.847 1.00 0.00 H new ATOM 607 N CYS A 41 0.258 3.453 4.912 1.00 0.00 N ATOM 608 CA CYS A 41 1.500 4.213 4.987 1.00 0.00 C ATOM 609 C CYS A 41 2.579 3.422 5.719 1.00 0.00 C ATOM 610 O CYS A 41 2.369 2.958 6.840 1.00 0.00 O ATOM 611 CB CYS A 41 1.262 5.549 5.692 1.00 0.00 C ATOM 612 SG CYS A 41 0.827 6.916 4.567 1.00 0.00 S ATOM 0 H CYS A 41 -0.411 3.665 5.652 1.00 0.00 H new ATOM 0 HA CYS A 41 1.843 4.403 3.970 1.00 0.00 H new ATOM 0 HB2 CYS A 41 0.462 5.425 6.422 1.00 0.00 H new ATOM 0 HB3 CYS A 41 2.160 5.820 6.246 1.00 0.00 H new ATOM 617 N GLY A 42 3.733 3.272 5.078 1.00 0.00 N ATOM 618 CA GLY A 42 4.828 2.535 5.683 1.00 0.00 C ATOM 619 C GLY A 42 5.259 1.346 4.847 1.00 0.00 C ATOM 620 O GLY A 42 4.421 0.609 4.326 1.00 0.00 O ATOM 0 H GLY A 42 3.930 3.647 4.150 1.00 0.00 H new ATOM 0 HA2 GLY A 42 5.678 3.203 5.824 1.00 0.00 H new ATOM 0 HA3 GLY A 42 4.527 2.190 6.672 1.00 0.00 H new ATOM 624 N CYS A 43 6.569 1.160 4.718 1.00 0.00 N ATOM 625 CA CYS A 43 7.110 0.052 3.939 1.00 0.00 C ATOM 626 C CYS A 43 8.097 -0.767 4.770 1.00 0.00 C ATOM 627 O CYS A 43 9.293 -0.475 4.790 1.00 0.00 O ATOM 628 CB CYS A 43 7.800 0.576 2.679 1.00 0.00 C ATOM 629 SG CYS A 43 8.073 -0.691 1.399 1.00 0.00 S ATOM 0 H CYS A 43 7.275 1.762 5.142 1.00 0.00 H new ATOM 0 HA CYS A 43 6.281 -0.594 3.649 1.00 0.00 H new ATOM 0 HB2 CYS A 43 7.198 1.381 2.256 1.00 0.00 H new ATOM 0 HB3 CYS A 43 8.761 1.009 2.957 1.00 0.00 H new ATOM 634 N PRO A 44 7.607 -1.808 5.466 1.00 0.00 N ATOM 635 CA PRO A 44 8.456 -2.668 6.298 1.00 0.00 C ATOM 636 C PRO A 44 9.415 -3.513 5.466 1.00 0.00 C ATOM 637 O PRO A 44 9.582 -3.282 4.269 1.00 0.00 O ATOM 638 CB PRO A 44 7.453 -3.562 7.031 1.00 0.00 C ATOM 639 CG PRO A 44 6.250 -3.582 6.153 1.00 0.00 C ATOM 640 CD PRO A 44 6.194 -2.229 5.498 1.00 0.00 C ATOM 0 HA PRO A 44 9.093 -2.087 6.965 1.00 0.00 H new ATOM 0 HB2 PRO A 44 7.852 -4.566 7.179 1.00 0.00 H new ATOM 0 HB3 PRO A 44 7.216 -3.165 8.018 1.00 0.00 H new ATOM 0 HG2 PRO A 44 6.324 -4.374 5.408 1.00 0.00 H new ATOM 0 HG3 PRO A 44 5.347 -3.773 6.733 1.00 0.00 H new ATOM 0 HD2 PRO A 44 5.768 -2.285 4.496 1.00 0.00 H new ATOM 0 HD3 PRO A 44 5.579 -1.532 6.067 1.00 0.00 H new ATOM 648 N SER A 45 10.040 -4.494 6.108 1.00 0.00 N ATOM 649 CA SER A 45 10.983 -5.374 5.426 1.00 0.00 C ATOM 650 C SER A 45 10.614 -6.839 5.644 1.00 0.00 C ATOM 651 O SER A 45 11.426 -7.631 6.122 1.00 0.00 O ATOM 652 CB SER A 45 12.407 -5.112 5.923 1.00 0.00 C ATOM 653 OG SER A 45 12.408 -4.711 7.282 1.00 0.00 O ATOM 0 H SER A 45 9.911 -4.700 7.099 1.00 0.00 H new ATOM 0 HA SER A 45 10.935 -5.162 4.358 1.00 0.00 H new ATOM 0 HB2 SER A 45 13.008 -6.014 5.806 1.00 0.00 H new ATOM 0 HB3 SER A 45 12.872 -4.338 5.312 1.00 0.00 H new ATOM 0 HG SER A 45 13.329 -4.552 7.575 1.00 0.00 H new ATOM 659 N VAL A 46 9.383 -7.191 5.291 1.00 0.00 N ATOM 660 CA VAL A 46 8.903 -8.555 5.446 1.00 0.00 C ATOM 661 C VAL A 46 9.399 -9.445 4.311 1.00 0.00 C ATOM 662 O VAL A 46 10.106 -8.987 3.414 1.00 0.00 O ATOM 663 CB VAL A 46 7.366 -8.600 5.484 1.00 0.00 C ATOM 664 CG1 VAL A 46 6.848 -8.108 6.827 1.00 0.00 C ATOM 665 CG2 VAL A 46 6.774 -7.783 4.345 1.00 0.00 C ATOM 0 H VAL A 46 8.699 -6.547 4.894 1.00 0.00 H new ATOM 0 HA VAL A 46 9.297 -8.927 6.392 1.00 0.00 H new ATOM 0 HB VAL A 46 7.052 -9.636 5.356 1.00 0.00 H new ATOM 0 HG11 VAL A 46 5.759 -8.148 6.834 1.00 0.00 H new ATOM 0 HG12 VAL A 46 7.239 -8.743 7.622 1.00 0.00 H new ATOM 0 HG13 VAL A 46 7.175 -7.081 6.989 1.00 0.00 H new ATOM 0 HG21 VAL A 46 5.686 -7.829 4.391 1.00 0.00 H new ATOM 0 HG22 VAL A 46 7.098 -6.746 4.435 1.00 0.00 H new ATOM 0 HG23 VAL A 46 7.114 -8.188 3.392 1.00 0.00 H new ATOM 675 N LYS A 47 9.023 -10.719 4.358 1.00 0.00 N ATOM 676 CA LYS A 47 9.430 -11.673 3.333 1.00 0.00 C ATOM 677 C LYS A 47 8.429 -12.818 3.226 1.00 0.00 C ATOM 678 O LYS A 47 8.255 -13.595 4.165 1.00 0.00 O ATOM 679 CB LYS A 47 10.822 -12.226 3.645 1.00 0.00 C ATOM 680 CG LYS A 47 10.970 -12.728 5.072 1.00 0.00 C ATOM 681 CD LYS A 47 11.843 -13.971 5.138 1.00 0.00 C ATOM 682 CE LYS A 47 11.143 -15.177 4.533 1.00 0.00 C ATOM 683 NZ LYS A 47 11.626 -15.465 3.153 1.00 0.00 N ATOM 0 H LYS A 47 8.438 -11.114 5.094 1.00 0.00 H new ATOM 0 HA LYS A 47 9.460 -11.150 2.377 1.00 0.00 H new ATOM 0 HB2 LYS A 47 11.043 -13.042 2.957 1.00 0.00 H new ATOM 0 HB3 LYS A 47 11.563 -11.447 3.464 1.00 0.00 H new ATOM 0 HG2 LYS A 47 11.405 -11.944 5.691 1.00 0.00 H new ATOM 0 HG3 LYS A 47 9.986 -12.951 5.484 1.00 0.00 H new ATOM 0 HD2 LYS A 47 12.778 -13.788 4.609 1.00 0.00 H new ATOM 0 HD3 LYS A 47 12.100 -14.181 6.176 1.00 0.00 H new ATOM 0 HE2 LYS A 47 11.310 -16.049 5.165 1.00 0.00 H new ATOM 0 HE3 LYS A 47 10.068 -15.000 4.512 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 10.888 -15.209 2.466 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 12.484 -14.909 2.962 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 11.844 -16.478 3.066 1.00 0.00 H new ATOM 697 N LYS A 48 7.773 -12.916 2.075 1.00 0.00 N ATOM 698 CA LYS A 48 6.788 -13.967 1.844 1.00 0.00 C ATOM 699 C LYS A 48 6.238 -13.894 0.422 1.00 0.00 C ATOM 700 O LYS A 48 6.503 -12.939 -0.309 1.00 0.00 O ATOM 701 CB LYS A 48 5.644 -13.855 2.856 1.00 0.00 C ATOM 702 CG LYS A 48 5.474 -15.093 3.721 1.00 0.00 C ATOM 703 CD LYS A 48 4.652 -16.158 3.014 1.00 0.00 C ATOM 704 CE LYS A 48 3.859 -16.996 4.003 1.00 0.00 C ATOM 705 NZ LYS A 48 2.513 -16.417 4.270 1.00 0.00 N ATOM 0 H LYS A 48 7.905 -12.281 1.288 1.00 0.00 H new ATOM 0 HA LYS A 48 7.282 -14.930 1.973 1.00 0.00 H new ATOM 0 HB2 LYS A 48 5.823 -12.994 3.500 1.00 0.00 H new ATOM 0 HB3 LYS A 48 4.714 -13.665 2.321 1.00 0.00 H new ATOM 0 HG2 LYS A 48 6.454 -15.497 3.976 1.00 0.00 H new ATOM 0 HG3 LYS A 48 4.989 -14.820 4.658 1.00 0.00 H new ATOM 0 HD2 LYS A 48 3.970 -15.684 2.308 1.00 0.00 H new ATOM 0 HD3 LYS A 48 5.312 -16.804 2.435 1.00 0.00 H new ATOM 0 HE2 LYS A 48 3.748 -18.008 3.614 1.00 0.00 H new ATOM 0 HE3 LYS A 48 4.413 -17.073 4.939 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 2.005 -17.019 4.949 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 2.619 -15.461 4.666 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 1.974 -16.367 3.382 1.00 0.00 H new ATOM 719 N GLY A 49 5.472 -14.909 0.036 1.00 0.00 N ATOM 720 CA GLY A 49 4.897 -14.941 -1.296 1.00 0.00 C ATOM 721 C GLY A 49 4.019 -13.737 -1.580 1.00 0.00 C ATOM 722 O GLY A 49 3.821 -13.364 -2.736 1.00 0.00 O ATOM 0 H GLY A 49 5.239 -15.710 0.622 1.00 0.00 H new ATOM 0 HA2 GLY A 49 5.699 -14.984 -2.033 1.00 0.00 H new ATOM 0 HA3 GLY A 49 4.308 -15.851 -1.412 1.00 0.00 H new ATOM 726 N ILE A 50 3.489 -13.129 -0.522 1.00 0.00 N ATOM 727 CA ILE A 50 2.625 -11.962 -0.657 1.00 0.00 C ATOM 728 C ILE A 50 3.250 -10.900 -1.558 1.00 0.00 C ATOM 729 O ILE A 50 4.404 -10.514 -1.371 1.00 0.00 O ATOM 730 CB ILE A 50 2.321 -11.348 0.716 1.00 0.00 C ATOM 731 CG1 ILE A 50 1.815 -12.427 1.675 1.00 0.00 C ATOM 732 CG2 ILE A 50 1.301 -10.226 0.586 1.00 0.00 C ATOM 733 CD1 ILE A 50 0.889 -13.440 1.032 1.00 0.00 C ATOM 0 H ILE A 50 3.644 -13.427 0.441 1.00 0.00 H new ATOM 0 HA ILE A 50 1.697 -12.303 -1.116 1.00 0.00 H new ATOM 0 HB ILE A 50 3.241 -10.926 1.121 1.00 0.00 H new ATOM 0 HG12 ILE A 50 2.671 -12.951 2.100 1.00 0.00 H new ATOM 0 HG13 ILE A 50 1.293 -11.947 2.502 1.00 0.00 H new ATOM 0 HG21 ILE A 50 1.098 -9.803 1.570 1.00 0.00 H new ATOM 0 HG22 ILE A 50 1.696 -9.449 -0.069 1.00 0.00 H new ATOM 0 HG23 ILE A 50 0.377 -10.621 0.164 1.00 0.00 H new ATOM 0 HD11 ILE A 50 0.575 -14.170 1.778 1.00 0.00 H new ATOM 0 HD12 ILE A 50 0.013 -12.930 0.632 1.00 0.00 H new ATOM 0 HD13 ILE A 50 1.413 -13.950 0.223 1.00 0.00 H new ATOM 745 N GLY A 51 2.480 -10.432 -2.535 1.00 0.00 N ATOM 746 CA GLY A 51 2.976 -9.420 -3.450 1.00 0.00 C ATOM 747 C GLY A 51 2.971 -8.034 -2.837 1.00 0.00 C ATOM 748 O GLY A 51 2.036 -7.261 -3.045 1.00 0.00 O ATOM 0 H GLY A 51 1.522 -10.735 -2.710 1.00 0.00 H new ATOM 0 HA2 GLY A 51 3.991 -9.676 -3.755 1.00 0.00 H new ATOM 0 HA3 GLY A 51 2.363 -9.418 -4.352 1.00 0.00 H new ATOM 752 N ILE A 52 4.015 -7.719 -2.078 1.00 0.00 N ATOM 753 CA ILE A 52 4.125 -6.419 -1.429 1.00 0.00 C ATOM 754 C ILE A 52 4.919 -5.436 -2.285 1.00 0.00 C ATOM 755 O ILE A 52 6.090 -5.664 -2.590 1.00 0.00 O ATOM 756 CB ILE A 52 4.792 -6.537 -0.043 1.00 0.00 C ATOM 757 CG1 ILE A 52 4.777 -5.186 0.674 1.00 0.00 C ATOM 758 CG2 ILE A 52 6.216 -7.058 -0.177 1.00 0.00 C ATOM 759 CD1 ILE A 52 4.397 -5.283 2.137 1.00 0.00 C ATOM 0 H ILE A 52 4.798 -8.348 -1.897 1.00 0.00 H new ATOM 0 HA ILE A 52 3.109 -6.043 -1.304 1.00 0.00 H new ATOM 0 HB ILE A 52 4.223 -7.249 0.554 1.00 0.00 H new ATOM 0 HG12 ILE A 52 5.763 -4.729 0.592 1.00 0.00 H new ATOM 0 HG13 ILE A 52 4.076 -4.523 0.168 1.00 0.00 H new ATOM 0 HG21 ILE A 52 6.670 -7.134 0.811 1.00 0.00 H new ATOM 0 HG22 ILE A 52 6.201 -8.042 -0.646 1.00 0.00 H new ATOM 0 HG23 ILE A 52 6.798 -6.372 -0.792 1.00 0.00 H new ATOM 0 HD11 ILE A 52 4.407 -4.288 2.582 1.00 0.00 H new ATOM 0 HD12 ILE A 52 3.398 -5.711 2.226 1.00 0.00 H new ATOM 0 HD13 ILE A 52 5.112 -5.920 2.657 1.00 0.00 H new ATOM 771 N ASN A 53 4.272 -4.338 -2.666 1.00 0.00 N ATOM 772 CA ASN A 53 4.912 -3.314 -3.482 1.00 0.00 C ATOM 773 C ASN A 53 4.637 -1.925 -2.915 1.00 0.00 C ATOM 774 O ASN A 53 3.486 -1.558 -2.677 1.00 0.00 O ATOM 775 CB ASN A 53 4.415 -3.396 -4.926 1.00 0.00 C ATOM 776 CG ASN A 53 2.903 -3.352 -5.021 1.00 0.00 C ATOM 777 OD1 ASN A 53 2.315 -2.295 -5.245 1.00 0.00 O ATOM 778 ND2 ASN A 53 2.265 -4.504 -4.847 1.00 0.00 N ATOM 0 H ASN A 53 3.303 -4.136 -2.421 1.00 0.00 H new ATOM 0 HA ASN A 53 5.988 -3.490 -3.468 1.00 0.00 H new ATOM 0 HB2 ASN A 53 4.836 -2.570 -5.500 1.00 0.00 H new ATOM 0 HB3 ASN A 53 4.778 -4.318 -5.380 1.00 0.00 H new ATOM 0 HD21 ASN A 53 1.247 -4.536 -4.897 1.00 0.00 H new ATOM 0 HD22 ASN A 53 2.793 -5.357 -4.663 1.00 0.00 H new ATOM 785 N CYS A 54 5.700 -1.158 -2.693 1.00 0.00 N ATOM 786 CA CYS A 54 5.569 0.188 -2.148 1.00 0.00 C ATOM 787 C CYS A 54 5.807 1.244 -3.222 1.00 0.00 C ATOM 788 O CYS A 54 6.588 1.037 -4.151 1.00 0.00 O ATOM 789 CB CYS A 54 6.551 0.390 -0.992 1.00 0.00 C ATOM 790 SG CYS A 54 6.307 -0.761 0.400 1.00 0.00 S ATOM 0 H CYS A 54 6.660 -1.445 -2.882 1.00 0.00 H new ATOM 0 HA CYS A 54 4.550 0.301 -1.778 1.00 0.00 H new ATOM 0 HB2 CYS A 54 7.568 0.277 -1.369 1.00 0.00 H new ATOM 0 HB3 CYS A 54 6.458 1.412 -0.625 1.00 0.00 H new ATOM 795 N CYS A 55 5.128 2.379 -3.084 1.00 0.00 N ATOM 796 CA CYS A 55 5.264 3.475 -4.037 1.00 0.00 C ATOM 797 C CYS A 55 5.499 4.795 -3.309 1.00 0.00 C ATOM 798 O CYS A 55 5.544 4.836 -2.080 1.00 0.00 O ATOM 799 CB CYS A 55 4.018 3.580 -4.923 1.00 0.00 C ATOM 800 SG CYS A 55 2.452 3.178 -4.077 1.00 0.00 S ATOM 0 H CYS A 55 4.477 2.564 -2.320 1.00 0.00 H new ATOM 0 HA CYS A 55 6.126 3.266 -4.670 1.00 0.00 H new ATOM 0 HB2 CYS A 55 3.953 4.594 -5.318 1.00 0.00 H new ATOM 0 HB3 CYS A 55 4.137 2.912 -5.776 1.00 0.00 H new ATOM 805 N THR A 56 5.651 5.872 -4.073 1.00 0.00 N ATOM 806 CA THR A 56 5.884 7.189 -3.492 1.00 0.00 C ATOM 807 C THR A 56 5.193 8.280 -4.306 1.00 0.00 C ATOM 808 O THR A 56 5.796 9.304 -4.630 1.00 0.00 O ATOM 809 CB THR A 56 7.385 7.471 -3.404 1.00 0.00 C ATOM 810 OG1 THR A 56 7.622 8.778 -2.913 1.00 0.00 O ATOM 811 CG2 THR A 56 8.097 7.343 -4.734 1.00 0.00 C ATOM 0 H THR A 56 5.617 5.859 -5.092 1.00 0.00 H new ATOM 0 HA THR A 56 5.460 7.194 -2.488 1.00 0.00 H new ATOM 0 HB THR A 56 7.781 6.717 -2.724 1.00 0.00 H new ATOM 0 HG1 THR A 56 7.184 9.431 -3.497 1.00 0.00 H new ATOM 0 HG21 THR A 56 9.158 7.556 -4.601 1.00 0.00 H new ATOM 0 HG22 THR A 56 7.975 6.329 -5.116 1.00 0.00 H new ATOM 0 HG23 THR A 56 7.671 8.052 -5.444 1.00 0.00 H new ATOM 819 N THR A 57 3.923 8.058 -4.629 1.00 0.00 N ATOM 820 CA THR A 57 3.149 9.026 -5.399 1.00 0.00 C ATOM 821 C THR A 57 1.700 9.066 -4.918 1.00 0.00 C ATOM 822 O THR A 57 1.222 8.130 -4.277 1.00 0.00 O ATOM 823 CB THR A 57 3.206 8.704 -6.900 1.00 0.00 C ATOM 824 OG1 THR A 57 2.077 9.235 -7.572 1.00 0.00 O ATOM 825 CG2 THR A 57 3.265 7.222 -7.212 1.00 0.00 C ATOM 0 H THR A 57 3.408 7.217 -4.370 1.00 0.00 H new ATOM 0 HA THR A 57 3.592 10.010 -5.243 1.00 0.00 H new ATOM 0 HB THR A 57 4.132 9.163 -7.246 1.00 0.00 H new ATOM 0 HG1 THR A 57 2.134 9.020 -8.527 1.00 0.00 H new ATOM 0 HG21 THR A 57 3.303 7.079 -8.292 1.00 0.00 H new ATOM 0 HG22 THR A 57 4.156 6.790 -6.757 1.00 0.00 H new ATOM 0 HG23 THR A 57 2.378 6.730 -6.812 1.00 0.00 H new ATOM 833 N ASP A 58 1.011 10.160 -5.226 1.00 0.00 N ATOM 834 CA ASP A 58 -0.378 10.334 -4.821 1.00 0.00 C ATOM 835 C ASP A 58 -1.271 9.248 -5.414 1.00 0.00 C ATOM 836 O ASP A 58 -1.173 8.926 -6.598 1.00 0.00 O ATOM 837 CB ASP A 58 -0.877 11.712 -5.254 1.00 0.00 C ATOM 838 CG ASP A 58 -0.528 12.029 -6.695 1.00 0.00 C ATOM 839 OD1 ASP A 58 -1.316 11.658 -7.591 1.00 0.00 O ATOM 840 OD2 ASP A 58 0.530 12.649 -6.928 1.00 0.00 O ATOM 0 H ASP A 58 1.395 10.942 -5.757 1.00 0.00 H new ATOM 0 HA ASP A 58 -0.425 10.253 -3.735 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -1.958 11.760 -5.126 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -0.445 12.472 -4.603 1.00 0.00 H new ATOM 845 N ARG A 59 -2.146 8.690 -4.580 1.00 0.00 N ATOM 846 CA ARG A 59 -3.066 7.642 -5.013 1.00 0.00 C ATOM 847 C ARG A 59 -2.334 6.548 -5.786 1.00 0.00 C ATOM 848 O ARG A 59 -2.895 5.933 -6.692 1.00 0.00 O ATOM 849 CB ARG A 59 -4.177 8.239 -5.881 1.00 0.00 C ATOM 850 CG ARG A 59 -5.346 8.788 -5.079 1.00 0.00 C ATOM 851 CD ARG A 59 -6.631 8.789 -5.894 1.00 0.00 C ATOM 852 NE ARG A 59 -7.046 10.143 -6.257 1.00 0.00 N ATOM 853 CZ ARG A 59 -8.226 10.437 -6.796 1.00 0.00 C ATOM 854 NH1 ARG A 59 -9.112 9.477 -7.037 1.00 0.00 N ATOM 855 NH2 ARG A 59 -8.525 11.694 -7.096 1.00 0.00 N ATOM 0 H ARG A 59 -2.237 8.948 -3.597 1.00 0.00 H new ATOM 0 HA ARG A 59 -3.506 7.194 -4.122 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -3.759 9.039 -6.492 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -4.544 7.473 -6.565 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -5.485 8.188 -4.180 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -5.120 9.803 -4.753 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -6.487 8.199 -6.799 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -7.424 8.307 -5.322 1.00 0.00 H new ATOM 0 HE ARG A 59 -6.392 10.907 -6.087 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -8.889 8.508 -6.809 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -10.015 9.709 -7.450 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -7.850 12.436 -6.913 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -9.430 11.918 -7.509 1.00 0.00 H new ATOM 869 N CYS A 60 -1.078 6.315 -5.421 1.00 0.00 N ATOM 870 CA CYS A 60 -0.266 5.304 -6.076 1.00 0.00 C ATOM 871 C CYS A 60 -0.771 3.896 -5.768 1.00 0.00 C ATOM 872 O CYS A 60 -0.495 2.953 -6.509 1.00 0.00 O ATOM 873 CB CYS A 60 1.190 5.453 -5.639 1.00 0.00 C ATOM 874 SG CYS A 60 1.514 4.971 -3.911 1.00 0.00 S ATOM 0 H CYS A 60 -0.601 6.817 -4.672 1.00 0.00 H new ATOM 0 HA CYS A 60 -0.339 5.451 -7.154 1.00 0.00 H new ATOM 0 HB2 CYS A 60 1.817 4.849 -6.295 1.00 0.00 H new ATOM 0 HB3 CYS A 60 1.493 6.491 -5.776 1.00 0.00 H new ATOM 879 N ASN A 61 -1.510 3.759 -4.671 1.00 0.00 N ATOM 880 CA ASN A 61 -2.047 2.464 -4.271 1.00 0.00 C ATOM 881 C ASN A 61 -3.565 2.428 -4.436 1.00 0.00 C ATOM 882 O ASN A 61 -4.301 2.230 -3.468 1.00 0.00 O ATOM 883 CB ASN A 61 -1.670 2.161 -2.820 1.00 0.00 C ATOM 884 CG ASN A 61 -2.232 3.183 -1.853 1.00 0.00 C ATOM 885 OD1 ASN A 61 -3.080 3.998 -2.215 1.00 0.00 O ATOM 886 ND2 ASN A 61 -1.760 3.146 -0.613 1.00 0.00 N ATOM 0 H ASN A 61 -1.750 4.528 -4.045 1.00 0.00 H new ATOM 0 HA ASN A 61 -1.614 1.702 -4.919 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -2.037 1.170 -2.551 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -0.584 2.135 -2.727 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -2.100 3.810 0.082 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -1.057 2.453 -0.355 1.00 0.00 H new ATOM 893 N ASN A 62 -4.027 2.620 -5.666 1.00 0.00 N ATOM 894 CA ASN A 62 -5.452 2.610 -5.959 1.00 0.00 C ATOM 895 C ASN A 62 -6.056 1.239 -5.673 1.00 0.00 C ATOM 896 O ASN A 62 -5.404 0.440 -4.969 1.00 0.00 O ATOM 897 CB ASN A 62 -5.688 2.992 -7.419 1.00 0.00 C ATOM 898 CG ASN A 62 -4.792 2.225 -8.372 1.00 0.00 C ATOM 899 OD1 ASN A 62 -4.121 1.270 -7.980 1.00 0.00 O ATOM 900 ND2 ASN A 62 -4.775 2.641 -9.633 1.00 0.00 N ATOM 901 OXT ASN A 62 -7.179 0.976 -6.156 1.00 0.00 O ATOM 0 H ASN A 62 -3.432 2.785 -6.478 1.00 0.00 H new ATOM 0 HA ASN A 62 -5.940 3.341 -5.314 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -6.731 2.805 -7.676 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -5.515 4.061 -7.544 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -4.190 2.164 -10.319 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -5.347 3.437 -9.915 1.00 0.00 H new TER 908 ASN A 62