USER MOD reduce.3.24.130724 H: found=0, std=0, add=434, rem=0, adj=17 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= -4.32 K(o=-7.2,f=-12!) USER MOD Set 1.2: A 62 ASN : amide:sc= -2.84 K(o=-7.2,f=-9.1!) USER MOD Set 2.1: A 7 GLN : amide:sc= -1.75 K(o=-1.3,f=-2.7!) USER MOD Set 2.2: A 8 SER OG : rot -75:sc= 0.408 USER MOD Set 3.1: A 5 ASN : amide:sc= 0.185 K(o=0.47,f=-10!) USER MOD Set 3.2: A 13 THR OG1 : rot 59:sc= 0.287 USER MOD Single : A 1 LEU N :NH3+ -142:sc= 0.00613 (180deg=0) USER MOD Single : A 6 GLN : amide:sc= -0.152 X(o=-0.15,f=-0.15) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 10 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 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= -1.12 K(o=-1.1,f=-2!) USER MOD Single : A 23 ASN : amide:sc= -1.37 K(o=-1.4,f=-0.49) USER MOD Single : A 25 TYR OH : rot 148:sc= 1.23 USER MOD Single : A 26 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0319) USER MOD Single : A 27 LYS NZ :NH3+ -121:sc= -1.79! (180deg=-4.19!) USER MOD Single : A 32 ASN : amide:sc= -3.17 X(o=-3.2,f=-2.8!) USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 THR OG1 : rot 32:sc= 0.235 USER MOD Single : A 45 SER OG : rot 180:sc= 0.0377 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 ASN : amide:sc= -0.0247 X(o=-0.025,f=0) USER MOD Single : A 56 THR OG1 : rot -67:sc= 0.609 USER MOD Single : A 57 THR OG1 : rot 130:sc= -1.24 USER MOD Single : A 61 ASN : amide:sc= -4.78! C(o=-4.8!,f=-14!) USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 1.388 13.713 1.803 1.00 0.00 N ATOM 2 CA LEU A 1 0.901 12.885 0.670 1.00 0.00 C ATOM 3 C LEU A 1 -0.539 12.433 0.895 1.00 0.00 C ATOM 4 O LEU A 1 -1.118 12.680 1.954 1.00 0.00 O ATOM 5 CB LEU A 1 1.820 11.670 0.524 1.00 0.00 C ATOM 6 CG LEU A 1 2.188 11.307 -0.915 1.00 0.00 C ATOM 7 CD1 LEU A 1 3.453 12.035 -1.343 1.00 0.00 C ATOM 8 CD2 LEU A 1 2.365 9.802 -1.056 1.00 0.00 C ATOM 0 H1 LEU A 1 1.986 14.482 1.439 1.00 0.00 H new ATOM 0 H2 LEU A 1 0.576 14.117 2.312 1.00 0.00 H new ATOM 0 H3 LEU A 1 1.944 13.120 2.452 1.00 0.00 H new ATOM 0 HA LEU A 1 0.918 13.481 -0.242 1.00 0.00 H new ATOM 0 HB2 LEU A 1 2.738 11.858 1.081 1.00 0.00 H new ATOM 0 HB3 LEU A 1 1.337 10.810 0.987 1.00 0.00 H new ATOM 0 HG LEU A 1 1.374 11.621 -1.568 1.00 0.00 H new ATOM 0 HD11 LEU A 1 3.699 11.764 -2.370 1.00 0.00 H new ATOM 0 HD12 LEU A 1 3.292 13.111 -1.280 1.00 0.00 H new ATOM 0 HD13 LEU A 1 4.276 11.752 -0.686 1.00 0.00 H new ATOM 0 HD21 LEU A 1 2.627 9.561 -2.086 1.00 0.00 H new ATOM 0 HD22 LEU A 1 3.161 9.465 -0.391 1.00 0.00 H new ATOM 0 HD23 LEU A 1 1.435 9.300 -0.791 1.00 0.00 H new ATOM 22 N GLU A 2 -1.110 11.771 -0.106 1.00 0.00 N ATOM 23 CA GLU A 2 -2.482 11.285 -0.017 1.00 0.00 C ATOM 24 C GLU A 2 -2.649 9.985 -0.794 1.00 0.00 C ATOM 25 O GLU A 2 -2.769 9.992 -2.019 1.00 0.00 O ATOM 26 CB GLU A 2 -3.455 12.340 -0.548 1.00 0.00 C ATOM 27 CG GLU A 2 -3.574 13.563 0.346 1.00 0.00 C ATOM 28 CD GLU A 2 -4.925 14.242 0.226 1.00 0.00 C ATOM 29 OE1 GLU A 2 -5.941 13.608 0.578 1.00 0.00 O ATOM 30 OE2 GLU A 2 -4.965 15.409 -0.219 1.00 0.00 O ATOM 0 H GLU A 2 -0.644 11.559 -0.988 1.00 0.00 H new ATOM 0 HA GLU A 2 -2.705 11.091 1.032 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -3.130 12.655 -1.540 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -4.440 11.888 -0.664 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -3.410 13.268 1.383 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -2.789 14.275 0.089 1.00 0.00 H new ATOM 37 N CYS A 3 -2.653 8.867 -0.073 1.00 0.00 N ATOM 38 CA CYS A 3 -2.804 7.557 -0.695 1.00 0.00 C ATOM 39 C CYS A 3 -4.145 6.930 -0.328 1.00 0.00 C ATOM 40 O CYS A 3 -4.924 7.507 0.431 1.00 0.00 O ATOM 41 CB CYS A 3 -1.662 6.632 -0.267 1.00 0.00 C ATOM 42 SG CYS A 3 -0.256 6.602 -1.425 1.00 0.00 S ATOM 0 H CYS A 3 -2.553 8.843 0.942 1.00 0.00 H new ATOM 0 HA CYS A 3 -2.770 7.691 -1.776 1.00 0.00 H new ATOM 0 HB2 CYS A 3 -1.304 6.944 0.714 1.00 0.00 H new ATOM 0 HB3 CYS A 3 -2.050 5.619 -0.157 1.00 0.00 H new ATOM 47 N HIS A 4 -4.406 5.746 -0.872 1.00 0.00 N ATOM 48 CA HIS A 4 -5.647 5.038 -0.606 1.00 0.00 C ATOM 49 C HIS A 4 -5.588 4.320 0.738 1.00 0.00 C ATOM 50 O HIS A 4 -4.510 4.117 1.296 1.00 0.00 O ATOM 51 CB HIS A 4 -5.913 4.034 -1.725 1.00 0.00 C ATOM 52 CG HIS A 4 -6.237 4.674 -3.039 1.00 0.00 C ATOM 53 ND1 HIS A 4 -7.523 4.967 -3.438 1.00 0.00 N ATOM 54 CD2 HIS A 4 -5.430 5.082 -4.048 1.00 0.00 C ATOM 55 CE1 HIS A 4 -7.495 5.526 -4.635 1.00 0.00 C ATOM 56 NE2 HIS A 4 -6.237 5.607 -5.027 1.00 0.00 N ATOM 0 H HIS A 4 -3.770 5.257 -1.502 1.00 0.00 H new ATOM 0 HA HIS A 4 -6.460 5.763 -0.567 1.00 0.00 H new ATOM 0 HB2 HIS A 4 -5.037 3.397 -1.847 1.00 0.00 H new ATOM 0 HB3 HIS A 4 -6.739 3.386 -1.432 1.00 0.00 H new ATOM 0 HD1 HIS A 4 -8.366 4.781 -2.894 1.00 0.00 H new ATOM 0 HD2 HIS A 4 -4.353 5.008 -4.077 1.00 0.00 H new ATOM 0 HE1 HIS A 4 -8.355 5.860 -5.197 1.00 0.00 H new ATOM 65 N ASN A 5 -6.752 3.940 1.255 1.00 0.00 N ATOM 66 CA ASN A 5 -6.828 3.245 2.536 1.00 0.00 C ATOM 67 C ASN A 5 -7.711 2.006 2.436 1.00 0.00 C ATOM 68 O ASN A 5 -7.365 0.941 2.947 1.00 0.00 O ATOM 69 CB ASN A 5 -7.365 4.183 3.618 1.00 0.00 C ATOM 70 CG ASN A 5 -8.617 4.903 3.193 1.00 0.00 C ATOM 71 OD1 ASN A 5 -9.115 4.718 2.082 1.00 0.00 O ATOM 72 ND2 ASN A 5 -9.133 5.733 4.083 1.00 0.00 N ATOM 0 H ASN A 5 -7.654 4.101 0.808 1.00 0.00 H new ATOM 0 HA ASN A 5 -5.821 2.927 2.806 1.00 0.00 H new ATOM 0 HB2 ASN A 5 -7.570 3.609 4.522 1.00 0.00 H new ATOM 0 HB3 ASN A 5 -6.598 4.915 3.872 1.00 0.00 H new ATOM 0 HD21 ASN A 5 -9.981 6.255 3.862 1.00 0.00 H new ATOM 0 HD22 ASN A 5 -8.683 5.852 4.991 1.00 0.00 H new ATOM 79 N GLN A 6 -8.853 2.154 1.775 1.00 0.00 N ATOM 80 CA GLN A 6 -9.790 1.049 1.607 1.00 0.00 C ATOM 81 C GLN A 6 -9.120 -0.138 0.921 1.00 0.00 C ATOM 82 O GLN A 6 -8.168 0.030 0.158 1.00 0.00 O ATOM 83 CB GLN A 6 -11.005 1.502 0.796 1.00 0.00 C ATOM 84 CG GLN A 6 -12.306 0.849 1.233 1.00 0.00 C ATOM 85 CD GLN A 6 -12.757 1.310 2.605 1.00 0.00 C ATOM 86 OE1 GLN A 6 -12.975 2.500 2.832 1.00 0.00 O ATOM 87 NE2 GLN A 6 -12.901 0.368 3.529 1.00 0.00 N ATOM 0 H GLN A 6 -9.153 3.029 1.346 1.00 0.00 H new ATOM 0 HA GLN A 6 -10.119 0.733 2.597 1.00 0.00 H new ATOM 0 HB2 GLN A 6 -11.105 2.584 0.881 1.00 0.00 H new ATOM 0 HB3 GLN A 6 -10.832 1.279 -0.257 1.00 0.00 H new ATOM 0 HG2 GLN A 6 -13.084 1.074 0.504 1.00 0.00 H new ATOM 0 HG3 GLN A 6 -12.180 -0.234 1.241 1.00 0.00 H new ATOM 0 HE21 GLN A 6 -12.709 -0.607 3.298 1.00 0.00 H new ATOM 0 HE22 GLN A 6 -13.203 0.619 4.470 1.00 0.00 H new ATOM 96 N GLN A 7 -9.624 -1.336 1.196 1.00 0.00 N ATOM 97 CA GLN A 7 -9.073 -2.551 0.605 1.00 0.00 C ATOM 98 C GLN A 7 -10.118 -3.661 0.571 1.00 0.00 C ATOM 99 O GLN A 7 -11.153 -3.573 1.230 1.00 0.00 O ATOM 100 CB GLN A 7 -7.845 -3.013 1.392 1.00 0.00 C ATOM 101 CG GLN A 7 -8.093 -3.137 2.886 1.00 0.00 C ATOM 102 CD GLN A 7 -8.626 -4.501 3.278 1.00 0.00 C ATOM 103 OE1 GLN A 7 -9.836 -4.727 3.288 1.00 0.00 O ATOM 104 NE2 GLN A 7 -7.723 -5.417 3.604 1.00 0.00 N ATOM 0 H GLN A 7 -10.413 -1.492 1.824 1.00 0.00 H new ATOM 0 HA GLN A 7 -8.776 -2.326 -0.419 1.00 0.00 H new ATOM 0 HB2 GLN A 7 -7.517 -3.978 1.005 1.00 0.00 H new ATOM 0 HB3 GLN A 7 -7.030 -2.309 1.224 1.00 0.00 H new ATOM 0 HG2 GLN A 7 -7.163 -2.947 3.422 1.00 0.00 H new ATOM 0 HG3 GLN A 7 -8.803 -2.371 3.197 1.00 0.00 H new ATOM 0 HE21 GLN A 7 -6.730 -5.185 3.581 1.00 0.00 H new ATOM 0 HE22 GLN A 7 -8.022 -6.353 3.877 1.00 0.00 H new ATOM 113 N SER A 8 -9.838 -4.706 -0.204 1.00 0.00 N ATOM 114 CA SER A 8 -10.749 -5.842 -0.332 1.00 0.00 C ATOM 115 C SER A 8 -12.015 -5.449 -1.091 1.00 0.00 C ATOM 116 O SER A 8 -12.291 -5.978 -2.168 1.00 0.00 O ATOM 117 CB SER A 8 -11.106 -6.405 1.049 1.00 0.00 C ATOM 118 OG SER A 8 -12.238 -5.753 1.600 1.00 0.00 O ATOM 0 H SER A 8 -8.984 -4.790 -0.755 1.00 0.00 H new ATOM 0 HA SER A 8 -10.239 -6.618 -0.903 1.00 0.00 H new ATOM 0 HB2 SER A 8 -11.305 -7.474 0.967 1.00 0.00 H new ATOM 0 HB3 SER A 8 -10.256 -6.289 1.721 1.00 0.00 H new ATOM 0 HG SER A 8 -11.981 -4.861 1.915 1.00 0.00 H new ATOM 124 N SER A 9 -12.781 -4.520 -0.527 1.00 0.00 N ATOM 125 CA SER A 9 -14.014 -4.062 -1.157 1.00 0.00 C ATOM 126 C SER A 9 -13.723 -3.009 -2.220 1.00 0.00 C ATOM 127 O SER A 9 -12.656 -2.396 -2.226 1.00 0.00 O ATOM 128 CB SER A 9 -14.967 -3.490 -0.104 1.00 0.00 C ATOM 129 OG SER A 9 -14.372 -2.404 0.585 1.00 0.00 O ATOM 0 H SER A 9 -12.570 -4.070 0.364 1.00 0.00 H new ATOM 0 HA SER A 9 -14.486 -4.918 -1.639 1.00 0.00 H new ATOM 0 HB2 SER A 9 -15.888 -3.160 -0.584 1.00 0.00 H new ATOM 0 HB3 SER A 9 -15.240 -4.270 0.607 1.00 0.00 H new ATOM 0 HG SER A 9 -15.001 -2.055 1.251 1.00 0.00 H new ATOM 135 N GLN A 10 -14.680 -2.803 -3.120 1.00 0.00 N ATOM 136 CA GLN A 10 -14.526 -1.823 -4.189 1.00 0.00 C ATOM 137 C GLN A 10 -14.883 -0.423 -3.699 1.00 0.00 C ATOM 138 O GLN A 10 -15.231 -0.232 -2.534 1.00 0.00 O ATOM 139 CB GLN A 10 -15.406 -2.198 -5.383 1.00 0.00 C ATOM 140 CG GLN A 10 -14.728 -3.141 -6.364 1.00 0.00 C ATOM 141 CD GLN A 10 -14.723 -2.606 -7.783 1.00 0.00 C ATOM 142 OE1 GLN A 10 -13.672 -2.280 -8.333 1.00 0.00 O ATOM 143 NE2 GLN A 10 -15.905 -2.513 -8.383 1.00 0.00 N ATOM 0 H GLN A 10 -15.570 -3.302 -3.130 1.00 0.00 H new ATOM 0 HA GLN A 10 -13.482 -1.824 -4.501 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -16.321 -2.663 -5.018 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -15.698 -1.289 -5.908 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -13.701 -3.316 -6.043 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -15.237 -4.105 -6.345 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -16.751 -2.795 -7.889 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -15.966 -2.160 -9.338 1.00 0.00 H new ATOM 152 N THR A 11 -14.794 0.553 -4.597 1.00 0.00 N ATOM 153 CA THR A 11 -15.108 1.936 -4.259 1.00 0.00 C ATOM 154 C THR A 11 -14.259 2.414 -3.080 1.00 0.00 C ATOM 155 O THR A 11 -14.789 2.844 -2.054 1.00 0.00 O ATOM 156 CB THR A 11 -16.595 2.074 -3.929 1.00 0.00 C ATOM 157 OG1 THR A 11 -17.391 1.689 -5.036 1.00 0.00 O ATOM 158 CG2 THR A 11 -16.999 3.481 -3.541 1.00 0.00 C ATOM 0 H THR A 11 -14.507 0.411 -5.565 1.00 0.00 H new ATOM 0 HA THR A 11 -14.877 2.560 -5.122 1.00 0.00 H new ATOM 0 HB THR A 11 -16.761 1.419 -3.074 1.00 0.00 H new ATOM 0 HG1 THR A 11 -18.339 1.782 -4.806 1.00 0.00 H new ATOM 0 HG21 THR A 11 -18.066 3.505 -3.320 1.00 0.00 H new ATOM 0 HG22 THR A 11 -16.439 3.790 -2.658 1.00 0.00 H new ATOM 0 HG23 THR A 11 -16.783 4.162 -4.364 1.00 0.00 H new ATOM 166 N PRO A 12 -12.923 2.344 -3.211 1.00 0.00 N ATOM 167 CA PRO A 12 -12.002 2.768 -2.153 1.00 0.00 C ATOM 168 C PRO A 12 -11.965 4.285 -1.993 1.00 0.00 C ATOM 169 O PRO A 12 -12.638 5.014 -2.721 1.00 0.00 O ATOM 170 CB PRO A 12 -10.647 2.249 -2.634 1.00 0.00 C ATOM 171 CG PRO A 12 -10.771 2.189 -4.117 1.00 0.00 C ATOM 172 CD PRO A 12 -12.208 1.842 -4.401 1.00 0.00 C ATOM 0 HA PRO A 12 -12.298 2.385 -1.176 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -9.838 2.913 -2.331 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -10.427 1.267 -2.215 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -10.504 3.144 -4.570 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -10.099 1.439 -4.534 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -12.564 2.319 -5.314 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -12.344 0.768 -4.528 1.00 0.00 H new ATOM 180 N THR A 13 -11.174 4.753 -1.033 1.00 0.00 N ATOM 181 CA THR A 13 -11.048 6.182 -0.776 1.00 0.00 C ATOM 182 C THR A 13 -9.589 6.571 -0.564 1.00 0.00 C ATOM 183 O THR A 13 -8.689 5.740 -0.695 1.00 0.00 O ATOM 184 CB THR A 13 -11.877 6.577 0.448 1.00 0.00 C ATOM 185 OG1 THR A 13 -12.008 5.483 1.337 1.00 0.00 O ATOM 186 CG2 THR A 13 -13.271 7.053 0.098 1.00 0.00 C ATOM 0 H THR A 13 -10.611 4.163 -0.420 1.00 0.00 H new ATOM 0 HA THR A 13 -11.424 6.717 -1.648 1.00 0.00 H new ATOM 0 HB THR A 13 -11.335 7.401 0.912 1.00 0.00 H new ATOM 0 HG1 THR A 13 -11.119 5.182 1.618 1.00 0.00 H new ATOM 0 HG21 THR A 13 -13.805 7.317 1.011 1.00 0.00 H new ATOM 0 HG22 THR A 13 -13.205 7.927 -0.550 1.00 0.00 H new ATOM 0 HG23 THR A 13 -13.808 6.258 -0.419 1.00 0.00 H new ATOM 194 N THR A 14 -9.360 7.839 -0.235 1.00 0.00 N ATOM 195 CA THR A 14 -8.009 8.337 -0.006 1.00 0.00 C ATOM 196 C THR A 14 -7.889 8.966 1.379 1.00 0.00 C ATOM 197 O THR A 14 -8.882 9.396 1.965 1.00 0.00 O ATOM 198 CB THR A 14 -7.631 9.360 -1.077 1.00 0.00 C ATOM 199 OG1 THR A 14 -8.612 10.378 -1.167 1.00 0.00 O ATOM 200 CG2 THR A 14 -7.473 8.754 -2.455 1.00 0.00 C ATOM 0 H THR A 14 -10.093 8.539 -0.121 1.00 0.00 H new ATOM 0 HA THR A 14 -7.323 7.492 -0.063 1.00 0.00 H new ATOM 0 HB THR A 14 -6.669 9.764 -0.762 1.00 0.00 H new ATOM 0 HG1 THR A 14 -8.351 11.024 -1.856 1.00 0.00 H new ATOM 0 HG21 THR A 14 -7.205 9.534 -3.167 1.00 0.00 H new ATOM 0 HG22 THR A 14 -6.688 7.998 -2.432 1.00 0.00 H new ATOM 0 HG23 THR A 14 -8.412 8.293 -2.759 1.00 0.00 H new ATOM 208 N THR A 15 -6.665 9.018 1.895 1.00 0.00 N ATOM 209 CA THR A 15 -6.412 9.596 3.210 1.00 0.00 C ATOM 210 C THR A 15 -4.985 10.124 3.306 1.00 0.00 C ATOM 211 O THR A 15 -4.024 9.383 3.108 1.00 0.00 O ATOM 212 CB THR A 15 -6.659 8.556 4.303 1.00 0.00 C ATOM 213 OG1 THR A 15 -6.506 9.133 5.588 1.00 0.00 O ATOM 214 CG2 THR A 15 -5.725 7.367 4.221 1.00 0.00 C ATOM 0 H THR A 15 -5.832 8.667 1.422 1.00 0.00 H new ATOM 0 HA THR A 15 -7.099 10.431 3.351 1.00 0.00 H new ATOM 0 HB THR A 15 -7.680 8.208 4.144 1.00 0.00 H new ATOM 0 HG1 THR A 15 -6.670 8.452 6.274 1.00 0.00 H new ATOM 0 HG21 THR A 15 -5.954 6.668 5.025 1.00 0.00 H new ATOM 0 HG22 THR A 15 -5.853 6.869 3.260 1.00 0.00 H new ATOM 0 HG23 THR A 15 -4.694 7.707 4.319 1.00 0.00 H new ATOM 222 N GLY A 16 -4.856 11.413 3.607 1.00 0.00 N ATOM 223 CA GLY A 16 -3.552 12.019 3.717 1.00 0.00 C ATOM 224 C GLY A 16 -2.882 11.730 5.047 1.00 0.00 C ATOM 225 O GLY A 16 -3.425 12.048 6.105 1.00 0.00 O ATOM 0 H GLY A 16 -5.638 12.046 3.776 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -2.918 11.655 2.909 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -3.645 13.097 3.589 1.00 0.00 H new ATOM 229 N CYS A 17 -1.700 11.127 4.991 1.00 0.00 N ATOM 230 CA CYS A 17 -0.954 10.795 6.200 1.00 0.00 C ATOM 231 C CYS A 17 -0.112 11.981 6.661 1.00 0.00 C ATOM 232 O CYS A 17 -0.236 13.084 6.131 1.00 0.00 O ATOM 233 CB CYS A 17 -0.055 9.582 5.954 1.00 0.00 C ATOM 234 SG CYS A 17 -0.907 8.171 5.177 1.00 0.00 S ATOM 0 H CYS A 17 -1.238 10.858 4.122 1.00 0.00 H new ATOM 0 HA CYS A 17 -1.671 10.553 6.985 1.00 0.00 H new ATOM 0 HB2 CYS A 17 0.779 9.884 5.320 1.00 0.00 H new ATOM 0 HB3 CYS A 17 0.369 9.258 6.905 1.00 0.00 H new ATOM 239 N SER A 18 0.743 11.745 7.650 1.00 0.00 N ATOM 240 CA SER A 18 1.606 12.794 8.180 1.00 0.00 C ATOM 241 C SER A 18 2.565 12.233 9.226 1.00 0.00 C ATOM 242 O SER A 18 2.361 11.136 9.744 1.00 0.00 O ATOM 243 CB SER A 18 0.763 13.914 8.793 1.00 0.00 C ATOM 244 OG SER A 18 1.549 15.068 9.038 1.00 0.00 O ATOM 0 H SER A 18 0.857 10.837 8.101 1.00 0.00 H new ATOM 0 HA SER A 18 2.193 13.199 7.356 1.00 0.00 H new ATOM 0 HB2 SER A 18 -0.058 14.165 8.121 1.00 0.00 H new ATOM 0 HB3 SER A 18 0.317 13.569 9.726 1.00 0.00 H new ATOM 0 HG SER A 18 0.987 15.770 9.428 1.00 0.00 H new ATOM 250 N GLY A 19 3.610 12.994 9.530 1.00 0.00 N ATOM 251 CA GLY A 19 4.585 12.558 10.512 1.00 0.00 C ATOM 252 C GLY A 19 5.618 11.616 9.925 1.00 0.00 C ATOM 253 O GLY A 19 5.581 10.410 10.173 1.00 0.00 O ATOM 0 H GLY A 19 3.800 13.906 9.114 1.00 0.00 H new ATOM 0 HA2 GLY A 19 5.089 13.429 10.931 1.00 0.00 H new ATOM 0 HA3 GLY A 19 4.070 12.061 11.335 1.00 0.00 H new ATOM 257 N GLY A 20 6.546 12.167 9.147 1.00 0.00 N ATOM 258 CA GLY A 20 7.584 11.360 8.537 1.00 0.00 C ATOM 259 C GLY A 20 7.037 10.137 7.824 1.00 0.00 C ATOM 260 O GLY A 20 7.264 9.007 8.255 1.00 0.00 O ATOM 0 H GLY A 20 6.596 13.162 8.929 1.00 0.00 H new ATOM 0 HA2 GLY A 20 8.141 11.970 7.826 1.00 0.00 H new ATOM 0 HA3 GLY A 20 8.289 11.042 9.305 1.00 0.00 H new ATOM 264 N GLU A 21 6.315 10.364 6.732 1.00 0.00 N ATOM 265 CA GLU A 21 5.733 9.272 5.959 1.00 0.00 C ATOM 266 C GLU A 21 5.399 9.726 4.542 1.00 0.00 C ATOM 267 O GLU A 21 4.455 10.488 4.330 1.00 0.00 O ATOM 268 CB GLU A 21 4.473 8.747 6.649 1.00 0.00 C ATOM 269 CG GLU A 21 4.213 7.271 6.397 1.00 0.00 C ATOM 270 CD GLU A 21 3.703 6.549 7.630 1.00 0.00 C ATOM 271 OE1 GLU A 21 2.880 7.136 8.363 1.00 0.00 O ATOM 272 OE2 GLU A 21 4.128 5.398 7.862 1.00 0.00 O ATOM 0 H GLU A 21 6.119 11.294 6.362 1.00 0.00 H new ATOM 0 HA GLU A 21 6.468 8.469 5.900 1.00 0.00 H new ATOM 0 HB2 GLU A 21 4.560 8.914 7.723 1.00 0.00 H new ATOM 0 HB3 GLU A 21 3.614 9.323 6.305 1.00 0.00 H new ATOM 0 HG2 GLU A 21 3.485 7.166 5.592 1.00 0.00 H new ATOM 0 HG3 GLU A 21 5.134 6.797 6.058 1.00 0.00 H new ATOM 279 N ASN A 22 6.177 9.252 3.575 1.00 0.00 N ATOM 280 CA ASN A 22 5.962 9.608 2.177 1.00 0.00 C ATOM 281 C ASN A 22 5.985 8.369 1.287 1.00 0.00 C ATOM 282 O ASN A 22 6.319 8.448 0.105 1.00 0.00 O ATOM 283 CB ASN A 22 7.029 10.602 1.712 1.00 0.00 C ATOM 284 CG ASN A 22 6.464 11.671 0.798 1.00 0.00 C ATOM 285 OD1 ASN A 22 6.507 11.543 -0.426 1.00 0.00 O ATOM 286 ND2 ASN A 22 5.929 12.734 1.388 1.00 0.00 N ATOM 0 H ASN A 22 6.962 8.620 3.733 1.00 0.00 H new ATOM 0 HA ASN A 22 4.979 10.073 2.095 1.00 0.00 H new ATOM 0 HB2 ASN A 22 7.484 11.075 2.582 1.00 0.00 H new ATOM 0 HB3 ASN A 22 7.821 10.064 1.191 1.00 0.00 H new ATOM 0 HD21 ASN A 22 5.533 13.485 0.823 1.00 0.00 H new ATOM 0 HD22 ASN A 22 5.914 12.799 2.406 1.00 0.00 H new ATOM 293 N ASN A 23 5.625 7.224 1.862 1.00 0.00 N ATOM 294 CA ASN A 23 5.606 5.970 1.120 1.00 0.00 C ATOM 295 C ASN A 23 4.338 5.179 1.422 1.00 0.00 C ATOM 296 O ASN A 23 3.879 5.137 2.564 1.00 0.00 O ATOM 297 CB ASN A 23 6.838 5.133 1.465 1.00 0.00 C ATOM 298 CG ASN A 23 8.129 5.803 1.039 1.00 0.00 C ATOM 299 OD1 ASN A 23 8.789 6.468 1.838 1.00 0.00 O ATOM 300 ND2 ASN A 23 8.496 5.630 -0.224 1.00 0.00 N ATOM 0 H ASN A 23 5.343 7.141 2.839 1.00 0.00 H new ATOM 0 HA ASN A 23 5.621 6.205 0.056 1.00 0.00 H new ATOM 0 HB2 ASN A 23 6.863 4.953 2.540 1.00 0.00 H new ATOM 0 HB3 ASN A 23 6.760 4.160 0.981 1.00 0.00 H new ATOM 0 HD21 ASN A 23 9.356 6.056 -0.568 1.00 0.00 H new ATOM 0 HD22 ASN A 23 7.918 5.071 -0.851 1.00 0.00 H new ATOM 307 N CYS A 24 3.776 4.550 0.395 1.00 0.00 N ATOM 308 CA CYS A 24 2.561 3.758 0.555 1.00 0.00 C ATOM 309 C CYS A 24 2.802 2.306 0.158 1.00 0.00 C ATOM 310 O CYS A 24 3.145 2.013 -0.988 1.00 0.00 O ATOM 311 CB CYS A 24 1.424 4.347 -0.280 1.00 0.00 C ATOM 312 SG CYS A 24 1.333 6.167 -0.239 1.00 0.00 S ATOM 0 H CYS A 24 4.142 4.573 -0.557 1.00 0.00 H new ATOM 0 HA CYS A 24 2.277 3.786 1.607 1.00 0.00 H new ATOM 0 HB2 CYS A 24 1.542 4.023 -1.314 1.00 0.00 H new ATOM 0 HB3 CYS A 24 0.478 3.939 0.076 1.00 0.00 H new ATOM 317 N TYR A 25 2.636 1.403 1.118 1.00 0.00 N ATOM 318 CA TYR A 25 2.847 -0.008 0.889 1.00 0.00 C ATOM 319 C TYR A 25 1.620 -0.678 0.272 1.00 0.00 C ATOM 320 O TYR A 25 0.519 -0.603 0.819 1.00 0.00 O ATOM 321 CB TYR A 25 3.219 -0.695 2.206 1.00 0.00 C ATOM 322 CG TYR A 25 2.031 -1.109 3.049 1.00 0.00 C ATOM 323 CD1 TYR A 25 1.399 -0.197 3.885 1.00 0.00 C ATOM 324 CD2 TYR A 25 1.542 -2.410 3.007 1.00 0.00 C ATOM 325 CE1 TYR A 25 0.314 -0.570 4.655 1.00 0.00 C ATOM 326 CE2 TYR A 25 0.458 -2.789 3.773 1.00 0.00 C ATOM 327 CZ TYR A 25 -0.152 -1.866 4.596 1.00 0.00 C ATOM 328 OH TYR A 25 -1.233 -2.241 5.361 1.00 0.00 O ATOM 0 H TYR A 25 2.353 1.634 2.070 1.00 0.00 H new ATOM 0 HA TYR A 25 3.665 -0.112 0.176 1.00 0.00 H new ATOM 0 HB2 TYR A 25 3.819 -1.578 1.985 1.00 0.00 H new ATOM 0 HB3 TYR A 25 3.847 -0.021 2.789 1.00 0.00 H new ATOM 0 HD1 TYR A 25 1.761 0.819 3.934 1.00 0.00 H new ATOM 0 HD2 TYR A 25 2.018 -3.136 2.365 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -0.167 0.151 5.300 1.00 0.00 H new ATOM 0 HE2 TYR A 25 0.090 -3.803 3.728 1.00 0.00 H new ATOM 0 HH TYR A 25 -1.745 -2.930 4.888 1.00 0.00 H new ATOM 338 N LYS A 26 1.821 -1.353 -0.856 1.00 0.00 N ATOM 339 CA LYS A 26 0.738 -2.058 -1.530 1.00 0.00 C ATOM 340 C LYS A 26 1.065 -3.543 -1.605 1.00 0.00 C ATOM 341 O LYS A 26 2.036 -3.937 -2.250 1.00 0.00 O ATOM 342 CB LYS A 26 0.519 -1.494 -2.935 1.00 0.00 C ATOM 343 CG LYS A 26 -0.677 -2.104 -3.653 1.00 0.00 C ATOM 344 CD LYS A 26 -1.643 -1.037 -4.148 1.00 0.00 C ATOM 345 CE LYS A 26 -1.927 -1.184 -5.635 1.00 0.00 C ATOM 346 NZ LYS A 26 -2.807 -2.352 -5.919 1.00 0.00 N ATOM 0 H LYS A 26 2.725 -1.426 -1.322 1.00 0.00 H new ATOM 0 HA LYS A 26 -0.181 -1.919 -0.960 1.00 0.00 H new ATOM 0 HB2 LYS A 26 0.381 -0.415 -2.868 1.00 0.00 H new ATOM 0 HB3 LYS A 26 1.416 -1.664 -3.530 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -0.329 -2.699 -4.497 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -1.199 -2.782 -2.978 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -2.577 -1.104 -3.590 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -1.226 -0.049 -3.953 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -2.400 -0.275 -6.006 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -0.987 -1.298 -6.175 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -2.908 -2.469 -6.947 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -2.385 -3.211 -5.513 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -3.743 -2.193 -5.495 1.00 0.00 H new ATOM 360 N LYS A 27 0.274 -4.364 -0.919 1.00 0.00 N ATOM 361 CA LYS A 27 0.509 -5.800 -0.895 1.00 0.00 C ATOM 362 C LYS A 27 -0.762 -6.585 -1.216 1.00 0.00 C ATOM 363 O LYS A 27 -1.800 -6.388 -0.584 1.00 0.00 O ATOM 364 CB LYS A 27 1.039 -6.212 0.478 1.00 0.00 C ATOM 365 CG LYS A 27 0.569 -5.326 1.618 1.00 0.00 C ATOM 366 CD LYS A 27 0.442 -6.111 2.913 1.00 0.00 C ATOM 367 CE LYS A 27 1.703 -6.003 3.757 1.00 0.00 C ATOM 368 NZ LYS A 27 2.808 -6.840 3.212 1.00 0.00 N ATOM 0 H LYS A 27 -0.532 -4.058 -0.375 1.00 0.00 H new ATOM 0 HA LYS A 27 1.247 -6.032 -1.662 1.00 0.00 H new ATOM 0 HB2 LYS A 27 0.733 -7.238 0.680 1.00 0.00 H new ATOM 0 HB3 LYS A 27 2.129 -6.204 0.452 1.00 0.00 H new ATOM 0 HG2 LYS A 27 1.272 -4.504 1.756 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -0.394 -4.883 1.363 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -0.411 -5.740 3.482 1.00 0.00 H new ATOM 0 HD3 LYS A 27 0.243 -7.159 2.687 1.00 0.00 H new ATOM 0 HE2 LYS A 27 2.023 -4.962 3.800 1.00 0.00 H new ATOM 0 HE3 LYS A 27 1.484 -6.312 4.779 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 3.108 -7.530 3.930 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 2.476 -7.344 2.365 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 3.613 -6.231 2.960 1.00 0.00 H new ATOM 382 N GLU A 28 -0.671 -7.482 -2.197 1.00 0.00 N ATOM 383 CA GLU A 28 -1.801 -8.300 -2.594 1.00 0.00 C ATOM 384 C GLU A 28 -1.583 -9.754 -2.184 1.00 0.00 C ATOM 385 O GLU A 28 -0.646 -10.403 -2.645 1.00 0.00 O ATOM 386 CB GLU A 28 -1.996 -8.215 -4.104 1.00 0.00 C ATOM 387 CG GLU A 28 -0.735 -8.499 -4.906 1.00 0.00 C ATOM 388 CD GLU A 28 -0.898 -9.670 -5.856 1.00 0.00 C ATOM 389 OE1 GLU A 28 -1.356 -9.448 -6.997 1.00 0.00 O ATOM 390 OE2 GLU A 28 -0.569 -10.808 -5.459 1.00 0.00 O ATOM 0 H GLU A 28 0.181 -7.656 -2.730 1.00 0.00 H new ATOM 0 HA GLU A 28 -2.693 -7.926 -2.091 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -2.770 -8.922 -4.401 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -2.360 -7.219 -4.358 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -0.463 -7.610 -5.475 1.00 0.00 H new ATOM 0 HG3 GLU A 28 0.088 -8.704 -4.221 1.00 0.00 H new ATOM 397 N TRP A 29 -2.456 -10.261 -1.318 1.00 0.00 N ATOM 398 CA TRP A 29 -2.350 -11.641 -0.852 1.00 0.00 C ATOM 399 C TRP A 29 -3.584 -12.451 -1.241 1.00 0.00 C ATOM 400 O TRP A 29 -4.716 -12.027 -1.010 1.00 0.00 O ATOM 401 CB TRP A 29 -2.140 -11.687 0.669 1.00 0.00 C ATOM 402 CG TRP A 29 -3.379 -11.445 1.470 1.00 0.00 C ATOM 403 CD1 TRP A 29 -4.063 -12.377 2.176 1.00 0.00 C ATOM 404 CD2 TRP A 29 -4.069 -10.203 1.663 1.00 0.00 C ATOM 405 NE1 TRP A 29 -5.150 -11.806 2.792 1.00 0.00 N ATOM 406 CE2 TRP A 29 -5.176 -10.469 2.493 1.00 0.00 C ATOM 407 CE3 TRP A 29 -3.864 -8.895 1.215 1.00 0.00 C ATOM 408 CZ2 TRP A 29 -6.072 -9.477 2.882 1.00 0.00 C ATOM 409 CZ3 TRP A 29 -4.755 -7.912 1.603 1.00 0.00 C ATOM 410 CH2 TRP A 29 -5.846 -8.206 2.428 1.00 0.00 C ATOM 0 H TRP A 29 -3.241 -9.741 -0.926 1.00 0.00 H new ATOM 0 HA TRP A 29 -1.483 -12.089 -1.337 1.00 0.00 H new ATOM 0 HB2 TRP A 29 -1.732 -12.661 0.938 1.00 0.00 H new ATOM 0 HB3 TRP A 29 -1.393 -10.942 0.943 1.00 0.00 H new ATOM 0 HD1 TRP A 29 -3.792 -13.420 2.245 1.00 0.00 H new ATOM 0 HE1 TRP A 29 -5.827 -12.297 3.376 1.00 0.00 H new ATOM 0 HE3 TRP A 29 -3.025 -8.657 0.578 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 -6.915 -9.702 3.519 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 -4.606 -6.898 1.263 1.00 0.00 H new ATOM 0 HH2 TRP A 29 -6.523 -7.414 2.712 1.00 0.00 H new ATOM 421 N ARG A 30 -3.354 -13.620 -1.832 1.00 0.00 N ATOM 422 CA ARG A 30 -4.439 -14.495 -2.253 1.00 0.00 C ATOM 423 C ARG A 30 -4.617 -15.646 -1.268 1.00 0.00 C ATOM 424 O ARG A 30 -3.796 -15.841 -0.373 1.00 0.00 O ATOM 425 CB ARG A 30 -4.164 -15.044 -3.655 1.00 0.00 C ATOM 426 CG ARG A 30 -2.701 -15.373 -3.916 1.00 0.00 C ATOM 427 CD ARG A 30 -2.507 -15.997 -5.288 1.00 0.00 C ATOM 428 NE ARG A 30 -2.527 -17.457 -5.235 1.00 0.00 N ATOM 429 CZ ARG A 30 -1.490 -18.199 -4.850 1.00 0.00 C ATOM 430 NH1 ARG A 30 -0.354 -17.622 -4.480 1.00 0.00 N ATOM 431 NH2 ARG A 30 -1.590 -19.521 -4.837 1.00 0.00 N ATOM 0 H ARG A 30 -2.421 -13.983 -2.030 1.00 0.00 H new ATOM 0 HA ARG A 30 -5.359 -13.911 -2.275 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -4.760 -15.944 -3.805 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -4.498 -14.314 -4.392 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -2.104 -14.464 -3.841 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -2.338 -16.058 -3.149 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -3.292 -15.648 -5.959 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -1.558 -15.663 -5.707 1.00 0.00 H new ATOM 0 HE ARG A 30 -3.385 -17.936 -5.509 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -0.272 -16.605 -4.489 1.00 0.00 H new ATOM 0 HH12 ARG A 30 0.437 -18.195 -4.186 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -2.461 -19.969 -5.122 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -0.796 -20.090 -4.542 1.00 0.00 H new ATOM 445 N ASP A 31 -5.696 -16.406 -1.436 1.00 0.00 N ATOM 446 CA ASP A 31 -5.976 -17.537 -0.554 1.00 0.00 C ATOM 447 C ASP A 31 -6.251 -18.806 -1.360 1.00 0.00 C ATOM 448 O ASP A 31 -5.369 -19.650 -1.522 1.00 0.00 O ATOM 449 CB ASP A 31 -7.165 -17.227 0.365 1.00 0.00 C ATOM 450 CG ASP A 31 -8.144 -16.242 -0.248 1.00 0.00 C ATOM 451 OD1 ASP A 31 -7.812 -15.040 -0.318 1.00 0.00 O ATOM 452 OD2 ASP A 31 -9.242 -16.674 -0.659 1.00 0.00 O ATOM 0 H ASP A 31 -6.388 -16.261 -2.171 1.00 0.00 H new ATOM 0 HA ASP A 31 -5.093 -17.706 0.062 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -7.688 -18.154 0.599 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -6.794 -16.824 1.307 1.00 0.00 H new ATOM 457 N ASN A 32 -7.476 -18.938 -1.862 1.00 0.00 N ATOM 458 CA ASN A 32 -7.859 -20.105 -2.648 1.00 0.00 C ATOM 459 C ASN A 32 -9.117 -19.822 -3.462 1.00 0.00 C ATOM 460 O ASN A 32 -9.192 -20.152 -4.645 1.00 0.00 O ATOM 461 CB ASN A 32 -8.086 -21.314 -1.737 1.00 0.00 C ATOM 462 CG ASN A 32 -8.971 -20.986 -0.551 1.00 0.00 C ATOM 463 OD1 ASN A 32 -10.167 -21.279 -0.554 1.00 0.00 O ATOM 464 ND2 ASN A 32 -8.387 -20.374 0.473 1.00 0.00 N ATOM 0 H ASN A 32 -8.220 -18.251 -1.738 1.00 0.00 H new ATOM 0 HA ASN A 32 -7.044 -20.330 -3.336 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -8.540 -22.120 -2.314 1.00 0.00 H new ATOM 0 HB3 ASN A 32 -7.124 -21.681 -1.379 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -8.933 -20.128 1.299 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -7.393 -20.150 0.433 1.00 0.00 H new ATOM 471 N ARG A 33 -10.102 -19.201 -2.821 1.00 0.00 N ATOM 472 CA ARG A 33 -11.356 -18.864 -3.490 1.00 0.00 C ATOM 473 C ARG A 33 -11.288 -17.458 -4.074 1.00 0.00 C ATOM 474 O ARG A 33 -11.897 -17.170 -5.105 1.00 0.00 O ATOM 475 CB ARG A 33 -12.545 -18.970 -2.528 1.00 0.00 C ATOM 476 CG ARG A 33 -12.189 -18.727 -1.072 1.00 0.00 C ATOM 477 CD ARG A 33 -13.422 -18.754 -0.183 1.00 0.00 C ATOM 478 NE ARG A 33 -13.842 -20.118 0.129 1.00 0.00 N ATOM 479 CZ ARG A 33 -14.883 -20.413 0.905 1.00 0.00 C ATOM 480 NH1 ARG A 33 -15.610 -19.444 1.449 1.00 0.00 N ATOM 481 NH2 ARG A 33 -15.198 -21.680 1.137 1.00 0.00 N ATOM 0 H ARG A 33 -10.058 -18.921 -1.841 1.00 0.00 H new ATOM 0 HA ARG A 33 -11.503 -19.581 -4.298 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -13.307 -18.251 -2.829 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -12.987 -19.962 -2.622 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -11.482 -19.486 -0.738 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -11.690 -17.763 -0.975 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -13.213 -18.218 0.743 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -14.238 -18.228 -0.679 1.00 0.00 H new ATOM 0 HE ARG A 33 -13.307 -20.889 -0.271 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -15.372 -18.468 1.273 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -16.406 -19.676 2.043 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -14.643 -22.428 0.721 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -15.995 -21.907 1.731 1.00 0.00 H new ATOM 495 N GLY A 34 -10.537 -16.587 -3.409 1.00 0.00 N ATOM 496 CA GLY A 34 -10.393 -15.221 -3.870 1.00 0.00 C ATOM 497 C GLY A 34 -9.061 -14.618 -3.473 1.00 0.00 C ATOM 498 O GLY A 34 -8.112 -15.341 -3.166 1.00 0.00 O ATOM 0 H GLY A 34 -10.024 -16.805 -2.555 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -10.493 -15.194 -4.955 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -11.201 -14.614 -3.460 1.00 0.00 H new ATOM 502 N TYR A 35 -8.986 -13.292 -3.479 1.00 0.00 N ATOM 503 CA TYR A 35 -7.757 -12.597 -3.114 1.00 0.00 C ATOM 504 C TYR A 35 -8.043 -11.153 -2.720 1.00 0.00 C ATOM 505 O TYR A 35 -8.972 -10.530 -3.233 1.00 0.00 O ATOM 506 CB TYR A 35 -6.761 -12.635 -4.274 1.00 0.00 C ATOM 507 CG TYR A 35 -7.384 -12.360 -5.624 1.00 0.00 C ATOM 508 CD1 TYR A 35 -7.919 -11.113 -5.923 1.00 0.00 C ATOM 509 CD2 TYR A 35 -7.438 -13.348 -6.599 1.00 0.00 C ATOM 510 CE1 TYR A 35 -8.490 -10.859 -7.155 1.00 0.00 C ATOM 511 CE2 TYR A 35 -8.007 -13.101 -7.834 1.00 0.00 C ATOM 512 CZ TYR A 35 -8.532 -11.855 -8.107 1.00 0.00 C ATOM 513 OH TYR A 35 -9.099 -11.606 -9.335 1.00 0.00 O ATOM 0 H TYR A 35 -9.760 -12.678 -3.732 1.00 0.00 H new ATOM 0 HA TYR A 35 -7.323 -13.108 -2.255 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -5.976 -11.901 -4.091 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -6.283 -13.614 -4.298 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -7.888 -10.330 -5.180 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -7.029 -14.325 -6.389 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -8.902 -9.884 -7.371 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -8.040 -13.880 -8.582 1.00 0.00 H new ATOM 0 HH TYR A 35 -9.046 -12.413 -9.889 1.00 0.00 H new ATOM 523 N ARG A 36 -7.236 -10.629 -1.804 1.00 0.00 N ATOM 524 CA ARG A 36 -7.398 -9.258 -1.337 1.00 0.00 C ATOM 525 C ARG A 36 -6.058 -8.530 -1.321 1.00 0.00 C ATOM 526 O ARG A 36 -5.001 -9.157 -1.262 1.00 0.00 O ATOM 527 CB ARG A 36 -8.016 -9.243 0.062 1.00 0.00 C ATOM 528 CG ARG A 36 -9.390 -9.892 0.126 1.00 0.00 C ATOM 529 CD ARG A 36 -9.496 -10.869 1.288 1.00 0.00 C ATOM 530 NE ARG A 36 -10.706 -10.652 2.077 1.00 0.00 N ATOM 531 CZ ARG A 36 -11.917 -11.063 1.706 1.00 0.00 C ATOM 532 NH1 ARG A 36 -12.083 -11.711 0.560 1.00 0.00 N ATOM 533 NH2 ARG A 36 -12.965 -10.822 2.482 1.00 0.00 N ATOM 0 H ARG A 36 -6.463 -11.134 -1.370 1.00 0.00 H new ATOM 0 HA ARG A 36 -8.066 -8.741 -2.026 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -7.347 -9.758 0.751 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -8.094 -8.211 0.405 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -10.153 -9.120 0.228 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -9.589 -10.415 -0.809 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -9.491 -11.890 0.905 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -8.621 -10.765 1.930 1.00 0.00 H new ATOM 0 HE ARG A 36 -10.618 -10.157 2.964 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -11.281 -11.897 -0.042 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -13.013 -12.024 0.281 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -12.843 -10.322 3.363 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -13.893 -11.137 2.198 1.00 0.00 H new ATOM 547 N THR A 37 -6.110 -7.205 -1.376 1.00 0.00 N ATOM 548 CA THR A 37 -4.901 -6.391 -1.367 1.00 0.00 C ATOM 549 C THR A 37 -5.117 -5.113 -0.566 1.00 0.00 C ATOM 550 O THR A 37 -6.082 -4.383 -0.792 1.00 0.00 O ATOM 551 CB THR A 37 -4.481 -6.045 -2.796 1.00 0.00 C ATOM 552 OG1 THR A 37 -3.383 -5.152 -2.794 1.00 0.00 O ATOM 553 CG2 THR A 37 -5.589 -5.408 -3.607 1.00 0.00 C ATOM 0 H THR A 37 -6.977 -6.671 -1.427 1.00 0.00 H new ATOM 0 HA THR A 37 -4.107 -6.969 -0.894 1.00 0.00 H new ATOM 0 HB THR A 37 -4.215 -6.996 -3.257 1.00 0.00 H new ATOM 0 HG1 THR A 37 -2.817 -5.331 -2.014 1.00 0.00 H new ATOM 0 HG21 THR A 37 -5.225 -5.188 -4.610 1.00 0.00 H new ATOM 0 HG22 THR A 37 -6.434 -6.094 -3.670 1.00 0.00 H new ATOM 0 HG23 THR A 37 -5.907 -4.483 -3.125 1.00 0.00 H new ATOM 561 N GLU A 38 -4.214 -4.847 0.372 1.00 0.00 N ATOM 562 CA GLU A 38 -4.312 -3.657 1.203 1.00 0.00 C ATOM 563 C GLU A 38 -3.361 -2.574 0.712 1.00 0.00 C ATOM 564 O GLU A 38 -2.355 -2.861 0.061 1.00 0.00 O ATOM 565 CB GLU A 38 -4.015 -3.989 2.668 1.00 0.00 C ATOM 566 CG GLU A 38 -2.987 -5.092 2.864 1.00 0.00 C ATOM 567 CD GLU A 38 -2.711 -5.377 4.328 1.00 0.00 C ATOM 568 OE1 GLU A 38 -2.373 -4.427 5.064 1.00 0.00 O ATOM 569 OE2 GLU A 38 -2.831 -6.551 4.737 1.00 0.00 O ATOM 0 H GLU A 38 -3.408 -5.439 0.574 1.00 0.00 H new ATOM 0 HA GLU A 38 -5.334 -3.284 1.130 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -3.663 -3.087 3.168 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -4.944 -4.283 3.157 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -3.340 -6.003 2.380 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -2.057 -4.809 2.371 1.00 0.00 H new ATOM 576 N ARG A 39 -3.693 -1.329 1.027 1.00 0.00 N ATOM 577 CA ARG A 39 -2.878 -0.194 0.617 1.00 0.00 C ATOM 578 C ARG A 39 -2.999 0.953 1.616 1.00 0.00 C ATOM 579 O ARG A 39 -4.096 1.442 1.884 1.00 0.00 O ATOM 580 CB ARG A 39 -3.298 0.278 -0.776 1.00 0.00 C ATOM 581 CG ARG A 39 -4.797 0.491 -0.920 1.00 0.00 C ATOM 582 CD ARG A 39 -5.450 -0.640 -1.699 1.00 0.00 C ATOM 583 NE ARG A 39 -6.744 -0.249 -2.252 1.00 0.00 N ATOM 584 CZ ARG A 39 -7.646 -1.113 -2.712 1.00 0.00 C ATOM 585 NH1 ARG A 39 -7.400 -2.417 -2.685 1.00 0.00 N ATOM 586 NH2 ARG A 39 -8.798 -0.672 -3.198 1.00 0.00 N ATOM 0 H ARG A 39 -4.522 -1.080 1.566 1.00 0.00 H new ATOM 0 HA ARG A 39 -1.837 -0.514 0.588 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -2.783 1.211 -1.005 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -2.971 -0.456 -1.513 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -5.252 0.563 0.068 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -4.984 1.438 -1.427 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -4.789 -0.951 -2.508 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -5.581 -1.502 -1.045 1.00 0.00 H new ATOM 0 HE ARG A 39 -6.970 0.745 -2.288 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -6.516 -2.762 -2.310 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -8.095 -3.075 -3.039 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -8.993 0.329 -3.219 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -9.489 -1.334 -3.551 1.00 0.00 H new ATOM 600 N GLY A 40 -1.864 1.375 2.163 1.00 0.00 N ATOM 601 CA GLY A 40 -1.863 2.461 3.126 1.00 0.00 C ATOM 602 C GLY A 40 -0.525 3.167 3.200 1.00 0.00 C ATOM 603 O GLY A 40 0.198 3.247 2.206 1.00 0.00 O ATOM 0 H GLY A 40 -0.945 0.984 1.957 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -2.636 3.181 2.858 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -2.119 2.070 4.111 1.00 0.00 H new ATOM 607 N CYS A 41 -0.192 3.681 4.380 1.00 0.00 N ATOM 608 CA CYS A 41 1.070 4.384 4.579 1.00 0.00 C ATOM 609 C CYS A 41 2.066 3.510 5.334 1.00 0.00 C ATOM 610 O CYS A 41 1.678 2.600 6.067 1.00 0.00 O ATOM 611 CB CYS A 41 0.835 5.691 5.341 1.00 0.00 C ATOM 612 SG CYS A 41 0.588 7.142 4.268 1.00 0.00 S ATOM 0 H CYS A 41 -0.779 3.624 5.212 1.00 0.00 H new ATOM 0 HA CYS A 41 1.489 4.615 3.599 1.00 0.00 H new ATOM 0 HB2 CYS A 41 -0.039 5.573 5.982 1.00 0.00 H new ATOM 0 HB3 CYS A 41 1.687 5.877 5.995 1.00 0.00 H new ATOM 617 N GLY A 42 3.352 3.791 5.150 1.00 0.00 N ATOM 618 CA GLY A 42 4.383 3.020 5.821 1.00 0.00 C ATOM 619 C GLY A 42 4.698 1.725 5.099 1.00 0.00 C ATOM 620 O GLY A 42 3.805 0.918 4.839 1.00 0.00 O ATOM 0 H GLY A 42 3.699 4.538 4.549 1.00 0.00 H new ATOM 0 HA2 GLY A 42 5.290 3.620 5.897 1.00 0.00 H new ATOM 0 HA3 GLY A 42 4.062 2.797 6.838 1.00 0.00 H new ATOM 624 N CYS A 43 5.971 1.526 4.772 1.00 0.00 N ATOM 625 CA CYS A 43 6.400 0.319 4.073 1.00 0.00 C ATOM 626 C CYS A 43 7.245 -0.571 4.982 1.00 0.00 C ATOM 627 O CYS A 43 8.457 -0.387 5.090 1.00 0.00 O ATOM 628 CB CYS A 43 7.198 0.687 2.820 1.00 0.00 C ATOM 629 SG CYS A 43 7.742 -0.747 1.839 1.00 0.00 S ATOM 0 H CYS A 43 6.723 2.184 4.979 1.00 0.00 H new ATOM 0 HA CYS A 43 5.508 -0.235 3.781 1.00 0.00 H new ATOM 0 HB2 CYS A 43 6.587 1.334 2.190 1.00 0.00 H new ATOM 0 HB3 CYS A 43 8.074 1.265 3.116 1.00 0.00 H new ATOM 634 N PRO A 44 6.615 -1.554 5.650 1.00 0.00 N ATOM 635 CA PRO A 44 7.320 -2.473 6.549 1.00 0.00 C ATOM 636 C PRO A 44 8.236 -3.429 5.795 1.00 0.00 C ATOM 637 O PRO A 44 8.131 -3.574 4.576 1.00 0.00 O ATOM 638 CB PRO A 44 6.187 -3.243 7.232 1.00 0.00 C ATOM 639 CG PRO A 44 5.053 -3.178 6.271 1.00 0.00 C ATOM 640 CD PRO A 44 5.171 -1.848 5.579 1.00 0.00 C ATOM 0 HA PRO A 44 7.971 -1.944 7.244 1.00 0.00 H new ATOM 0 HB2 PRO A 44 6.475 -4.274 7.435 1.00 0.00 H new ATOM 0 HB3 PRO A 44 5.922 -2.792 8.188 1.00 0.00 H new ATOM 0 HG2 PRO A 44 5.103 -3.997 5.553 1.00 0.00 H new ATOM 0 HG3 PRO A 44 4.098 -3.265 6.789 1.00 0.00 H new ATOM 0 HD2 PRO A 44 4.821 -1.899 4.548 1.00 0.00 H new ATOM 0 HD3 PRO A 44 4.579 -1.081 6.079 1.00 0.00 H new ATOM 648 N SER A 45 9.136 -4.081 6.524 1.00 0.00 N ATOM 649 CA SER A 45 10.071 -5.023 5.920 1.00 0.00 C ATOM 650 C SER A 45 9.595 -6.462 6.108 1.00 0.00 C ATOM 651 O SER A 45 10.263 -7.270 6.754 1.00 0.00 O ATOM 652 CB SER A 45 11.465 -4.849 6.528 1.00 0.00 C ATOM 653 OG SER A 45 11.389 -4.299 7.832 1.00 0.00 O ATOM 0 H SER A 45 9.237 -3.974 7.533 1.00 0.00 H new ATOM 0 HA SER A 45 10.119 -4.814 4.851 1.00 0.00 H new ATOM 0 HB2 SER A 45 11.971 -5.814 6.566 1.00 0.00 H new ATOM 0 HB3 SER A 45 12.064 -4.199 5.890 1.00 0.00 H new ATOM 0 HG SER A 45 12.293 -4.200 8.198 1.00 0.00 H new ATOM 659 N VAL A 46 8.436 -6.775 5.538 1.00 0.00 N ATOM 660 CA VAL A 46 7.870 -8.110 5.639 1.00 0.00 C ATOM 661 C VAL A 46 8.520 -9.061 4.640 1.00 0.00 C ATOM 662 O VAL A 46 9.228 -8.632 3.729 1.00 0.00 O ATOM 663 CB VAL A 46 6.350 -8.088 5.396 1.00 0.00 C ATOM 664 CG1 VAL A 46 5.621 -7.538 6.612 1.00 0.00 C ATOM 665 CG2 VAL A 46 6.015 -7.279 4.151 1.00 0.00 C ATOM 0 H VAL A 46 7.871 -6.118 5.000 1.00 0.00 H new ATOM 0 HA VAL A 46 8.067 -8.464 6.651 1.00 0.00 H new ATOM 0 HB VAL A 46 6.014 -9.112 5.233 1.00 0.00 H new ATOM 0 HG11 VAL A 46 4.548 -7.531 6.420 1.00 0.00 H new ATOM 0 HG12 VAL A 46 5.831 -8.167 7.477 1.00 0.00 H new ATOM 0 HG13 VAL A 46 5.961 -6.522 6.811 1.00 0.00 H new ATOM 0 HG21 VAL A 46 4.936 -7.277 3.998 1.00 0.00 H new ATOM 0 HG22 VAL A 46 6.366 -6.255 4.277 1.00 0.00 H new ATOM 0 HG23 VAL A 46 6.503 -7.725 3.285 1.00 0.00 H new ATOM 675 N LYS A 47 8.275 -10.356 4.818 1.00 0.00 N ATOM 676 CA LYS A 47 8.837 -11.369 3.930 1.00 0.00 C ATOM 677 C LYS A 47 7.840 -12.498 3.692 1.00 0.00 C ATOM 678 O LYS A 47 7.567 -13.298 4.587 1.00 0.00 O ATOM 679 CB LYS A 47 10.132 -11.932 4.520 1.00 0.00 C ATOM 680 CG LYS A 47 9.970 -12.485 5.927 1.00 0.00 C ATOM 681 CD LYS A 47 10.090 -14.001 5.952 1.00 0.00 C ATOM 682 CE LYS A 47 11.437 -14.445 6.502 1.00 0.00 C ATOM 683 NZ LYS A 47 12.470 -14.538 5.435 1.00 0.00 N ATOM 0 H LYS A 47 7.692 -10.728 5.568 1.00 0.00 H new ATOM 0 HA LYS A 47 9.057 -10.896 2.973 1.00 0.00 H new ATOM 0 HB2 LYS A 47 10.505 -12.723 3.869 1.00 0.00 H new ATOM 0 HB3 LYS A 47 10.888 -11.146 4.532 1.00 0.00 H new ATOM 0 HG2 LYS A 47 10.727 -12.049 6.579 1.00 0.00 H new ATOM 0 HG3 LYS A 47 8.999 -12.190 6.325 1.00 0.00 H new ATOM 0 HD2 LYS A 47 9.290 -14.420 6.563 1.00 0.00 H new ATOM 0 HD3 LYS A 47 9.960 -14.394 4.944 1.00 0.00 H new ATOM 0 HE2 LYS A 47 11.767 -13.741 7.266 1.00 0.00 H new ATOM 0 HE3 LYS A 47 11.329 -15.415 6.988 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 13.373 -14.844 5.851 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 12.168 -15.229 4.719 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 12.592 -13.607 4.988 1.00 0.00 H new ATOM 697 N LYS A 48 7.300 -12.559 2.479 1.00 0.00 N ATOM 698 CA LYS A 48 6.334 -13.592 2.122 1.00 0.00 C ATOM 699 C LYS A 48 6.144 -13.658 0.609 1.00 0.00 C ATOM 700 O LYS A 48 6.815 -12.951 -0.143 1.00 0.00 O ATOM 701 CB LYS A 48 4.991 -13.321 2.805 1.00 0.00 C ATOM 702 CG LYS A 48 4.828 -14.043 4.133 1.00 0.00 C ATOM 703 CD LYS A 48 4.524 -13.074 5.265 1.00 0.00 C ATOM 704 CE LYS A 48 4.136 -13.809 6.538 1.00 0.00 C ATOM 705 NZ LYS A 48 5.298 -13.989 7.452 1.00 0.00 N ATOM 0 H LYS A 48 7.515 -11.905 1.726 1.00 0.00 H new ATOM 0 HA LYS A 48 6.721 -14.552 2.464 1.00 0.00 H new ATOM 0 HB2 LYS A 48 4.886 -12.248 2.969 1.00 0.00 H new ATOM 0 HB3 LYS A 48 4.185 -13.622 2.136 1.00 0.00 H new ATOM 0 HG2 LYS A 48 4.024 -14.774 4.054 1.00 0.00 H new ATOM 0 HG3 LYS A 48 5.739 -14.595 4.361 1.00 0.00 H new ATOM 0 HD2 LYS A 48 5.397 -12.450 5.456 1.00 0.00 H new ATOM 0 HD3 LYS A 48 3.715 -12.407 4.967 1.00 0.00 H new ATOM 0 HE2 LYS A 48 3.352 -13.254 7.053 1.00 0.00 H new ATOM 0 HE3 LYS A 48 3.721 -14.784 6.282 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 4.992 -14.494 8.308 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 6.036 -14.540 6.970 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 5.679 -13.058 7.717 1.00 0.00 H new ATOM 719 N GLY A 49 5.226 -14.514 0.170 1.00 0.00 N ATOM 720 CA GLY A 49 4.966 -14.657 -1.251 1.00 0.00 C ATOM 721 C GLY A 49 3.824 -13.779 -1.720 1.00 0.00 C ATOM 722 O GLY A 49 2.958 -14.223 -2.474 1.00 0.00 O ATOM 0 H GLY A 49 4.658 -15.110 0.772 1.00 0.00 H new ATOM 0 HA2 GLY A 49 5.867 -14.405 -1.810 1.00 0.00 H new ATOM 0 HA3 GLY A 49 4.734 -15.699 -1.472 1.00 0.00 H new ATOM 726 N ILE A 50 3.821 -12.528 -1.272 1.00 0.00 N ATOM 727 CA ILE A 50 2.778 -11.582 -1.647 1.00 0.00 C ATOM 728 C ILE A 50 3.190 -10.766 -2.870 1.00 0.00 C ATOM 729 O ILE A 50 4.357 -10.405 -3.022 1.00 0.00 O ATOM 730 CB ILE A 50 2.446 -10.627 -0.483 1.00 0.00 C ATOM 731 CG1 ILE A 50 2.158 -11.432 0.790 1.00 0.00 C ATOM 732 CG2 ILE A 50 1.262 -9.738 -0.841 1.00 0.00 C ATOM 733 CD1 ILE A 50 1.492 -10.629 1.887 1.00 0.00 C ATOM 0 H ILE A 50 4.531 -12.146 -0.647 1.00 0.00 H new ATOM 0 HA ILE A 50 1.889 -12.164 -1.891 1.00 0.00 H new ATOM 0 HB ILE A 50 3.306 -9.983 -0.300 1.00 0.00 H new ATOM 0 HG12 ILE A 50 1.521 -12.279 0.536 1.00 0.00 H new ATOM 0 HG13 ILE A 50 3.095 -11.840 1.170 1.00 0.00 H new ATOM 0 HG21 ILE A 50 1.043 -9.071 -0.007 1.00 0.00 H new ATOM 0 HG22 ILE A 50 1.505 -9.147 -1.724 1.00 0.00 H new ATOM 0 HG23 ILE A 50 0.390 -10.359 -1.048 1.00 0.00 H new ATOM 0 HD11 ILE A 50 1.321 -11.268 2.753 1.00 0.00 H new ATOM 0 HD12 ILE A 50 2.136 -9.797 2.171 1.00 0.00 H new ATOM 0 HD13 ILE A 50 0.538 -10.243 1.527 1.00 0.00 H new ATOM 745 N GLY A 51 2.224 -10.482 -3.738 1.00 0.00 N ATOM 746 CA GLY A 51 2.506 -9.714 -4.937 1.00 0.00 C ATOM 747 C GLY A 51 2.544 -8.221 -4.676 1.00 0.00 C ATOM 748 O GLY A 51 2.204 -7.772 -3.582 1.00 0.00 O ATOM 0 H GLY A 51 1.251 -10.770 -3.632 1.00 0.00 H new ATOM 0 HA2 GLY A 51 3.463 -10.031 -5.351 1.00 0.00 H new ATOM 0 HA3 GLY A 51 1.747 -9.929 -5.689 1.00 0.00 H new ATOM 752 N ILE A 52 2.960 -7.460 -5.688 1.00 0.00 N ATOM 753 CA ILE A 52 3.054 -6.004 -5.591 1.00 0.00 C ATOM 754 C ILE A 52 3.880 -5.568 -4.376 1.00 0.00 C ATOM 755 O ILE A 52 4.160 -6.368 -3.484 1.00 0.00 O ATOM 756 CB ILE A 52 1.652 -5.341 -5.561 1.00 0.00 C ATOM 757 CG1 ILE A 52 1.758 -3.860 -5.930 1.00 0.00 C ATOM 758 CG2 ILE A 52 0.979 -5.504 -4.203 1.00 0.00 C ATOM 759 CD1 ILE A 52 0.580 -3.352 -6.733 1.00 0.00 C ATOM 0 H ILE A 52 3.240 -7.834 -6.595 1.00 0.00 H new ATOM 0 HA ILE A 52 3.570 -5.663 -6.488 1.00 0.00 H new ATOM 0 HB ILE A 52 1.030 -5.848 -6.298 1.00 0.00 H new ATOM 0 HG12 ILE A 52 1.846 -3.272 -5.017 1.00 0.00 H new ATOM 0 HG13 ILE A 52 2.673 -3.701 -6.501 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -0.001 -5.026 -4.223 1.00 0.00 H new ATOM 0 HG22 ILE A 52 0.861 -6.564 -3.980 1.00 0.00 H new ATOM 0 HG23 ILE A 52 1.595 -5.038 -3.434 1.00 0.00 H new ATOM 0 HD11 ILE A 52 0.722 -2.295 -6.959 1.00 0.00 H new ATOM 0 HD12 ILE A 52 0.504 -3.915 -7.663 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -0.336 -3.479 -6.156 1.00 0.00 H new ATOM 771 N ASN A 53 4.282 -4.301 -4.360 1.00 0.00 N ATOM 772 CA ASN A 53 5.090 -3.764 -3.268 1.00 0.00 C ATOM 773 C ASN A 53 4.672 -2.338 -2.920 1.00 0.00 C ATOM 774 O ASN A 53 3.584 -1.889 -3.278 1.00 0.00 O ATOM 775 CB ASN A 53 6.573 -3.803 -3.650 1.00 0.00 C ATOM 776 CG ASN A 53 7.418 -4.516 -2.613 1.00 0.00 C ATOM 777 OD1 ASN A 53 7.339 -5.735 -2.462 1.00 0.00 O ATOM 778 ND2 ASN A 53 8.233 -3.756 -1.890 1.00 0.00 N ATOM 0 H ASN A 53 4.062 -3.625 -5.092 1.00 0.00 H new ATOM 0 HA ASN A 53 4.928 -4.384 -2.387 1.00 0.00 H new ATOM 0 HB2 ASN A 53 6.685 -4.303 -4.612 1.00 0.00 H new ATOM 0 HB3 ASN A 53 6.940 -2.784 -3.776 1.00 0.00 H new ATOM 0 HD21 ASN A 53 8.826 -4.179 -1.176 1.00 0.00 H new ATOM 0 HD22 ASN A 53 8.266 -2.749 -2.049 1.00 0.00 H new ATOM 785 N CYS A 54 5.546 -1.636 -2.211 1.00 0.00 N ATOM 786 CA CYS A 54 5.277 -0.261 -1.806 1.00 0.00 C ATOM 787 C CYS A 54 5.606 0.714 -2.932 1.00 0.00 C ATOM 788 O CYS A 54 6.145 0.323 -3.968 1.00 0.00 O ATOM 789 CB CYS A 54 6.084 0.098 -0.557 1.00 0.00 C ATOM 790 SG CYS A 54 6.118 -1.209 0.713 1.00 0.00 S ATOM 0 H CYS A 54 6.449 -1.996 -1.903 1.00 0.00 H new ATOM 0 HA CYS A 54 4.214 -0.182 -1.578 1.00 0.00 H new ATOM 0 HB2 CYS A 54 7.108 0.328 -0.853 1.00 0.00 H new ATOM 0 HB3 CYS A 54 5.668 1.005 -0.118 1.00 0.00 H new ATOM 795 N CYS A 55 5.277 1.984 -2.722 1.00 0.00 N ATOM 796 CA CYS A 55 5.536 3.018 -3.718 1.00 0.00 C ATOM 797 C CYS A 55 5.827 4.357 -3.047 1.00 0.00 C ATOM 798 O CYS A 55 5.856 4.454 -1.820 1.00 0.00 O ATOM 799 CB CYS A 55 4.342 3.157 -4.665 1.00 0.00 C ATOM 800 SG CYS A 55 2.720 3.091 -3.837 1.00 0.00 S ATOM 0 H CYS A 55 4.830 2.323 -1.870 1.00 0.00 H new ATOM 0 HA CYS A 55 6.413 2.721 -4.294 1.00 0.00 H new ATOM 0 HB2 CYS A 55 4.426 4.103 -5.201 1.00 0.00 H new ATOM 0 HB3 CYS A 55 4.389 2.363 -5.410 1.00 0.00 H new ATOM 805 N THR A 56 6.043 5.388 -3.859 1.00 0.00 N ATOM 806 CA THR A 56 6.334 6.719 -3.340 1.00 0.00 C ATOM 807 C THR A 56 5.750 7.800 -4.246 1.00 0.00 C ATOM 808 O THR A 56 6.473 8.659 -4.753 1.00 0.00 O ATOM 809 CB THR A 56 7.846 6.914 -3.200 1.00 0.00 C ATOM 810 OG1 THR A 56 8.143 8.221 -2.743 1.00 0.00 O ATOM 811 CG2 THR A 56 8.599 6.698 -4.495 1.00 0.00 C ATOM 0 H THR A 56 6.022 5.327 -4.877 1.00 0.00 H new ATOM 0 HA THR A 56 5.870 6.808 -2.358 1.00 0.00 H new ATOM 0 HB THR A 56 8.169 6.162 -2.481 1.00 0.00 H new ATOM 0 HG1 THR A 56 7.893 8.873 -3.431 1.00 0.00 H new ATOM 0 HG21 THR A 56 9.665 6.852 -4.326 1.00 0.00 H new ATOM 0 HG22 THR A 56 8.430 5.681 -4.849 1.00 0.00 H new ATOM 0 HG23 THR A 56 8.245 7.406 -5.244 1.00 0.00 H new ATOM 819 N THR A 57 4.437 7.752 -4.446 1.00 0.00 N ATOM 820 CA THR A 57 3.757 8.727 -5.290 1.00 0.00 C ATOM 821 C THR A 57 2.298 8.887 -4.870 1.00 0.00 C ATOM 822 O THR A 57 1.709 7.982 -4.280 1.00 0.00 O ATOM 823 CB THR A 57 3.839 8.307 -6.758 1.00 0.00 C ATOM 824 OG1 THR A 57 4.066 6.914 -6.871 1.00 0.00 O ATOM 825 CG2 THR A 57 4.938 9.014 -7.521 1.00 0.00 C ATOM 0 H THR A 57 3.823 7.049 -4.035 1.00 0.00 H new ATOM 0 HA THR A 57 4.256 9.688 -5.169 1.00 0.00 H new ATOM 0 HB THR A 57 2.879 8.586 -7.192 1.00 0.00 H new ATOM 0 HG1 THR A 57 3.417 6.526 -7.494 1.00 0.00 H new ATOM 0 HG21 THR A 57 4.942 8.671 -8.555 1.00 0.00 H new ATOM 0 HG22 THR A 57 4.764 10.090 -7.496 1.00 0.00 H new ATOM 0 HG23 THR A 57 5.901 8.792 -7.061 1.00 0.00 H new ATOM 833 N ASP A 58 1.723 10.046 -5.174 1.00 0.00 N ATOM 834 CA ASP A 58 0.338 10.330 -4.829 1.00 0.00 C ATOM 835 C ASP A 58 -0.602 9.285 -5.422 1.00 0.00 C ATOM 836 O ASP A 58 -0.580 9.027 -6.626 1.00 0.00 O ATOM 837 CB ASP A 58 -0.044 11.723 -5.324 1.00 0.00 C ATOM 838 CG ASP A 58 0.043 11.846 -6.833 1.00 0.00 C ATOM 839 OD1 ASP A 58 1.087 11.462 -7.401 1.00 0.00 O ATOM 840 OD2 ASP A 58 -0.933 12.326 -7.447 1.00 0.00 O ATOM 0 H ASP A 58 2.199 10.806 -5.661 1.00 0.00 H new ATOM 0 HA ASP A 58 0.241 10.293 -3.744 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -1.059 11.954 -5.002 1.00 0.00 H new ATOM 0 HB3 ASP A 58 0.612 12.462 -4.864 1.00 0.00 H new ATOM 845 N ARG A 59 -1.426 8.685 -4.568 1.00 0.00 N ATOM 846 CA ARG A 59 -2.375 7.665 -5.005 1.00 0.00 C ATOM 847 C ARG A 59 -1.665 6.541 -5.754 1.00 0.00 C ATOM 848 O ARG A 59 -2.257 5.878 -6.605 1.00 0.00 O ATOM 849 CB ARG A 59 -3.452 8.287 -5.896 1.00 0.00 C ATOM 850 CG ARG A 59 -4.244 9.391 -5.214 1.00 0.00 C ATOM 851 CD ARG A 59 -5.693 9.399 -5.672 1.00 0.00 C ATOM 852 NE ARG A 59 -6.397 10.604 -5.238 1.00 0.00 N ATOM 853 CZ ARG A 59 -6.200 11.809 -5.767 1.00 0.00 C ATOM 854 NH1 ARG A 59 -5.322 11.976 -6.748 1.00 0.00 N ATOM 855 NH2 ARG A 59 -6.883 12.852 -5.312 1.00 0.00 N ATOM 0 H ARG A 59 -1.456 8.887 -3.569 1.00 0.00 H new ATOM 0 HA ARG A 59 -2.847 7.243 -4.118 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -2.981 8.690 -6.793 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -4.139 7.506 -6.220 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -4.203 9.255 -4.133 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -3.787 10.356 -5.432 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -5.730 9.329 -6.759 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -6.203 8.520 -5.278 1.00 0.00 H new ATOM 0 HE ARG A 59 -7.080 10.516 -4.485 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -4.794 11.178 -7.101 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -5.176 12.902 -7.149 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -7.558 12.730 -4.557 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -6.733 13.776 -5.717 1.00 0.00 H new ATOM 869 N CYS A 60 -0.392 6.335 -5.432 1.00 0.00 N ATOM 870 CA CYS A 60 0.402 5.297 -6.071 1.00 0.00 C ATOM 871 C CYS A 60 -0.155 3.911 -5.762 1.00 0.00 C ATOM 872 O CYS A 60 -0.005 2.980 -6.554 1.00 0.00 O ATOM 873 CB CYS A 60 1.852 5.397 -5.604 1.00 0.00 C ATOM 874 SG CYS A 60 2.095 5.022 -3.837 1.00 0.00 S ATOM 0 H CYS A 60 0.111 6.877 -4.729 1.00 0.00 H new ATOM 0 HA CYS A 60 0.358 5.445 -7.150 1.00 0.00 H new ATOM 0 HB2 CYS A 60 2.461 4.714 -6.196 1.00 0.00 H new ATOM 0 HB3 CYS A 60 2.218 6.404 -5.804 1.00 0.00 H new ATOM 879 N ASN A 61 -0.799 3.779 -4.607 1.00 0.00 N ATOM 880 CA ASN A 61 -1.377 2.506 -4.196 1.00 0.00 C ATOM 881 C ASN A 61 -2.887 2.499 -4.412 1.00 0.00 C ATOM 882 O ASN A 61 -3.662 2.404 -3.460 1.00 0.00 O ATOM 883 CB ASN A 61 -1.055 2.225 -2.726 1.00 0.00 C ATOM 884 CG ASN A 61 -1.649 3.264 -1.796 1.00 0.00 C ATOM 885 OD1 ASN A 61 -2.212 4.264 -2.241 1.00 0.00 O ATOM 886 ND2 ASN A 61 -1.528 3.031 -0.494 1.00 0.00 N ATOM 0 H ASN A 61 -0.933 4.538 -3.939 1.00 0.00 H new ATOM 0 HA ASN A 61 -0.938 1.720 -4.811 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -1.435 1.240 -2.456 1.00 0.00 H new ATOM 0 HB3 ASN A 61 0.026 2.198 -2.592 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -1.910 3.694 0.180 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -1.053 2.189 -0.169 1.00 0.00 H new ATOM 893 N ASN A 62 -3.299 2.601 -5.671 1.00 0.00 N ATOM 894 CA ASN A 62 -4.716 2.609 -6.014 1.00 0.00 C ATOM 895 C ASN A 62 -5.154 1.249 -6.550 1.00 0.00 C ATOM 896 O ASN A 62 -6.008 0.607 -5.904 1.00 0.00 O ATOM 897 CB ASN A 62 -5.005 3.696 -7.051 1.00 0.00 C ATOM 898 CG ASN A 62 -6.491 3.886 -7.289 1.00 0.00 C ATOM 899 OD1 ASN A 62 -7.289 2.977 -7.067 1.00 0.00 O ATOM 900 ND2 ASN A 62 -6.868 5.075 -7.744 1.00 0.00 N ATOM 901 OXT ASN A 62 -4.637 0.838 -7.610 1.00 0.00 O ATOM 0 H ASN A 62 -2.671 2.679 -6.471 1.00 0.00 H new ATOM 0 HA ASN A 62 -5.282 2.822 -5.107 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -4.570 4.638 -6.717 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -4.519 3.436 -7.991 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -7.854 5.263 -7.923 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -6.171 5.800 -7.914 1.00 0.00 H new