USER MOD reduce.3.24.130724 H: found=0, std=0, add=449, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 449 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 25 LYS NZ :NH3+ -112:sc= -1.17 (180deg=-2.77!) USER MOD Set 1.2: A 52 ASN : amide:sc= 0.238 K(o=-0.94,f=-3.4) USER MOD Set 2.1: A 21 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 22 ASN : amide:sc= -4.19! C(o=-4.2!,f=-8!) USER MOD Set 3.1: A 5 ASN : amide:sc= -2.78! C(o=-2!,f=-3.1!) USER MOD Set 3.2: A 13 THR OG1 : rot 142:sc= 0.733 USER MOD Set 4.1: A 4 HIS : no HE2:sc= -5.06! C(o=-13!,f=-18!) USER MOD Set 4.2: A 6 GLN : amide:sc= -3.45! C(o=-13!,f=-12!) USER MOD Set 4.3: A 61 ASN : amide:sc= -4.59! C(o=-13!,f=-11!) USER MOD Single : A 1 LEU N :NH3+ 138:sc= 0.0238 (180deg=0) USER MOD Single : A 7 GLN : amide:sc= 0 K(o=0,f=-0.93) USER MOD Single : A 8 SER OG : rot 180:sc= -0.33 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 10 GLN : amide:sc= -2.71! C(o=-2.7!,f=-9.3!) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 THR OG1 : rot 180:sc= 0.00311 USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 24 TYR OH : rot -20:sc= 1.05 USER MOD Single : A 26 LYS NZ :NH3+ 132:sc= -5.24! (180deg=-9.83!) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 31 HIS : no HD1:sc= -0.975! C(o=-0.97!,f=-2.3!) USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ -124:sc= -0.0635 (180deg=-1.5!) USER MOD Single : A 46 LYS NZ :NH3+ -156:sc= 0 (180deg=-0.00143) USER MOD Single : A 50 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 56 THR OG1 : rot 180:sc= -4.65! USER MOD Single : A 60 ASN : amide:sc= -2.7! C(o=-2.7!,f=-19!) USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 -6.213 -15.242 2.114 1.00 0.00 N ATOM 2 CA LEU A 1 -5.834 -14.241 1.131 1.00 0.00 C ATOM 3 C LEU A 1 -4.654 -13.427 1.668 1.00 0.00 C ATOM 4 O LEU A 1 -4.647 -13.033 2.833 1.00 0.00 O ATOM 5 CB LEU A 1 -7.042 -13.389 0.740 1.00 0.00 C ATOM 6 CG LEU A 1 -6.749 -12.172 -0.140 1.00 0.00 C ATOM 7 CD1 LEU A 1 -6.590 -12.581 -1.606 1.00 0.00 C ATOM 8 CD2 LEU A 1 -7.818 -11.093 0.041 1.00 0.00 C ATOM 0 H1 LEU A 1 -7.250 -15.290 2.178 1.00 0.00 H new ATOM 0 H2 LEU A 1 -5.840 -16.169 1.826 1.00 0.00 H new ATOM 0 H3 LEU A 1 -5.820 -14.984 3.042 1.00 0.00 H new ATOM 0 HA LEU A 1 -5.500 -14.719 0.210 1.00 0.00 H new ATOM 0 HB2 LEU A 1 -7.757 -14.026 0.219 1.00 0.00 H new ATOM 0 HB3 LEU A 1 -7.529 -13.044 1.652 1.00 0.00 H new ATOM 0 HG LEU A 1 -5.800 -11.741 0.179 1.00 0.00 H new ATOM 0 HD11 LEU A 1 -6.382 -11.698 -2.210 1.00 0.00 H new ATOM 0 HD12 LEU A 1 -5.764 -13.287 -1.699 1.00 0.00 H new ATOM 0 HD13 LEU A 1 -7.510 -13.051 -1.955 1.00 0.00 H new ATOM 0 HD21 LEU A 1 -7.585 -10.240 -0.596 1.00 0.00 H new ATOM 0 HD22 LEU A 1 -8.792 -11.496 -0.235 1.00 0.00 H new ATOM 0 HD23 LEU A 1 -7.839 -10.773 1.083 1.00 0.00 H new ATOM 22 N GLU A 2 -3.686 -13.200 0.792 1.00 0.00 N ATOM 23 CA GLU A 2 -2.505 -12.440 1.164 1.00 0.00 C ATOM 24 C GLU A 2 -2.502 -11.084 0.456 1.00 0.00 C ATOM 25 O GLU A 2 -2.957 -10.973 -0.682 1.00 0.00 O ATOM 26 CB GLU A 2 -1.228 -13.224 0.852 1.00 0.00 C ATOM 27 CG GLU A 2 -1.403 -14.709 1.179 1.00 0.00 C ATOM 28 CD GLU A 2 -0.064 -15.446 1.111 1.00 0.00 C ATOM 29 OE1 GLU A 2 0.622 -15.283 0.080 1.00 0.00 O ATOM 30 OE2 GLU A 2 0.242 -16.157 2.093 1.00 0.00 O ATOM 0 H GLU A 2 -3.696 -13.529 -0.173 1.00 0.00 H new ATOM 0 HA GLU A 2 -2.532 -12.266 2.240 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -0.974 -13.107 -0.201 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -0.397 -12.817 1.428 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -1.832 -14.818 2.175 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -2.106 -15.159 0.478 1.00 0.00 H new ATOM 37 N CYS A 3 -1.983 -10.087 1.158 1.00 0.00 N ATOM 38 CA CYS A 3 -1.915 -8.743 0.610 1.00 0.00 C ATOM 39 C CYS A 3 -0.547 -8.152 0.956 1.00 0.00 C ATOM 40 O CYS A 3 -0.065 -8.308 2.077 1.00 0.00 O ATOM 41 CB CYS A 3 -3.060 -7.866 1.120 1.00 0.00 C ATOM 42 SG CYS A 3 -4.707 -8.663 1.096 1.00 0.00 S ATOM 0 H CYS A 3 -1.606 -10.183 2.101 1.00 0.00 H new ATOM 0 HA CYS A 3 -2.029 -8.783 -0.473 1.00 0.00 H new ATOM 0 HB2 CYS A 3 -2.836 -7.558 2.141 1.00 0.00 H new ATOM 0 HB3 CYS A 3 -3.102 -6.960 0.516 1.00 0.00 H new ATOM 47 N HIS A 4 0.041 -7.486 -0.027 1.00 0.00 N ATOM 48 CA HIS A 4 1.344 -6.872 0.159 1.00 0.00 C ATOM 49 C HIS A 4 1.253 -5.792 1.239 1.00 0.00 C ATOM 50 O HIS A 4 0.281 -5.038 1.288 1.00 0.00 O ATOM 51 CB HIS A 4 1.888 -6.339 -1.168 1.00 0.00 C ATOM 52 CG HIS A 4 2.582 -7.382 -2.011 1.00 0.00 C ATOM 53 ND1 HIS A 4 3.935 -7.652 -1.906 1.00 0.00 N ATOM 54 CD2 HIS A 4 2.095 -8.219 -2.972 1.00 0.00 C ATOM 55 CE1 HIS A 4 4.239 -8.609 -2.771 1.00 0.00 C ATOM 56 NE2 HIS A 4 3.097 -8.959 -3.431 1.00 0.00 N ATOM 0 H HIS A 4 -0.362 -7.358 -0.955 1.00 0.00 H new ATOM 0 HA HIS A 4 2.057 -7.621 0.503 1.00 0.00 H new ATOM 0 HB2 HIS A 4 1.065 -5.912 -1.741 1.00 0.00 H new ATOM 0 HB3 HIS A 4 2.587 -5.528 -0.963 1.00 0.00 H new ATOM 0 HD1 HIS A 4 4.588 -7.193 -1.271 1.00 0.00 H new ATOM 0 HD2 HIS A 4 1.068 -8.271 -3.303 1.00 0.00 H new ATOM 0 HE1 HIS A 4 5.218 -9.037 -2.926 1.00 0.00 H new ATOM 65 N ASN A 5 2.277 -5.751 2.078 1.00 0.00 N ATOM 66 CA ASN A 5 2.325 -4.775 3.154 1.00 0.00 C ATOM 67 C ASN A 5 3.579 -3.912 2.999 1.00 0.00 C ATOM 68 O ASN A 5 3.924 -3.147 3.897 1.00 0.00 O ATOM 69 CB ASN A 5 2.390 -5.464 4.518 1.00 0.00 C ATOM 70 CG ASN A 5 3.815 -5.925 4.832 1.00 0.00 C ATOM 71 OD1 ASN A 5 4.746 -5.140 4.909 1.00 0.00 O ATOM 72 ND2 ASN A 5 3.932 -7.238 5.009 1.00 0.00 N ATOM 0 H ASN A 5 3.080 -6.378 2.035 1.00 0.00 H new ATOM 0 HA ASN A 5 1.422 -4.167 3.099 1.00 0.00 H new ATOM 0 HB2 ASN A 5 2.047 -4.778 5.293 1.00 0.00 H new ATOM 0 HB3 ASN A 5 1.716 -6.321 4.529 1.00 0.00 H new ATOM 0 HD21 ASN A 5 4.843 -7.645 5.224 1.00 0.00 H new ATOM 0 HD22 ASN A 5 3.111 -7.838 4.930 1.00 0.00 H new ATOM 79 N GLN A 6 4.225 -4.065 1.852 1.00 0.00 N ATOM 80 CA GLN A 6 5.433 -3.309 1.568 1.00 0.00 C ATOM 81 C GLN A 6 5.106 -1.822 1.419 1.00 0.00 C ATOM 82 O GLN A 6 4.076 -1.464 0.848 1.00 0.00 O ATOM 83 CB GLN A 6 6.134 -3.845 0.319 1.00 0.00 C ATOM 84 CG GLN A 6 5.117 -4.242 -0.753 1.00 0.00 C ATOM 85 CD GLN A 6 5.689 -4.035 -2.156 1.00 0.00 C ATOM 86 OE1 GLN A 6 6.130 -2.957 -2.522 1.00 0.00 O ATOM 87 NE2 GLN A 6 5.658 -5.123 -2.920 1.00 0.00 N ATOM 0 H GLN A 6 3.935 -4.701 1.109 1.00 0.00 H new ATOM 0 HA GLN A 6 6.118 -3.427 2.407 1.00 0.00 H new ATOM 0 HB2 GLN A 6 6.808 -3.086 -0.078 1.00 0.00 H new ATOM 0 HB3 GLN A 6 6.745 -4.708 0.583 1.00 0.00 H new ATOM 0 HG2 GLN A 6 4.835 -5.287 -0.622 1.00 0.00 H new ATOM 0 HG3 GLN A 6 4.210 -3.650 -0.635 1.00 0.00 H new ATOM 0 HE21 GLN A 6 5.275 -5.994 -2.552 1.00 0.00 H new ATOM 0 HE22 GLN A 6 6.017 -5.087 -3.874 1.00 0.00 H new ATOM 96 N GLN A 7 6.001 -0.996 1.940 1.00 0.00 N ATOM 97 CA GLN A 7 5.820 0.444 1.871 1.00 0.00 C ATOM 98 C GLN A 7 6.780 1.051 0.846 1.00 0.00 C ATOM 99 O GLN A 7 7.794 0.445 0.505 1.00 0.00 O ATOM 100 CB GLN A 7 6.009 1.087 3.247 1.00 0.00 C ATOM 101 CG GLN A 7 6.393 2.562 3.115 1.00 0.00 C ATOM 102 CD GLN A 7 6.594 3.201 4.490 1.00 0.00 C ATOM 103 OE1 GLN A 7 6.632 2.537 5.513 1.00 0.00 O ATOM 104 NE2 GLN A 7 6.721 4.525 4.458 1.00 0.00 N ATOM 0 H GLN A 7 6.854 -1.296 2.412 1.00 0.00 H new ATOM 0 HA GLN A 7 4.799 0.647 1.548 1.00 0.00 H new ATOM 0 HB2 GLN A 7 5.088 0.997 3.824 1.00 0.00 H new ATOM 0 HB3 GLN A 7 6.784 0.554 3.798 1.00 0.00 H new ATOM 0 HG2 GLN A 7 7.309 2.652 2.531 1.00 0.00 H new ATOM 0 HG3 GLN A 7 5.614 3.097 2.572 1.00 0.00 H new ATOM 0 HE21 GLN A 7 6.680 5.020 3.567 1.00 0.00 H new ATOM 0 HE22 GLN A 7 6.860 5.045 5.324 1.00 0.00 H new ATOM 113 N SER A 8 6.426 2.242 0.384 1.00 0.00 N ATOM 114 CA SER A 8 7.243 2.937 -0.595 1.00 0.00 C ATOM 115 C SER A 8 7.887 1.930 -1.550 1.00 0.00 C ATOM 116 O SER A 8 7.215 1.033 -2.057 1.00 0.00 O ATOM 117 CB SER A 8 8.320 3.784 0.088 1.00 0.00 C ATOM 118 OG SER A 8 7.794 4.543 1.173 1.00 0.00 O ATOM 0 H SER A 8 5.584 2.742 0.670 1.00 0.00 H new ATOM 0 HA SER A 8 6.598 3.607 -1.164 1.00 0.00 H new ATOM 0 HB2 SER A 8 9.115 3.134 0.452 1.00 0.00 H new ATOM 0 HB3 SER A 8 8.768 4.458 -0.642 1.00 0.00 H new ATOM 0 HG SER A 8 8.512 5.068 1.583 1.00 0.00 H new ATOM 124 N SER A 9 9.181 2.112 -1.768 1.00 0.00 N ATOM 125 CA SER A 9 9.922 1.231 -2.653 1.00 0.00 C ATOM 126 C SER A 9 10.552 0.091 -1.850 1.00 0.00 C ATOM 127 O SER A 9 11.204 -0.785 -2.416 1.00 0.00 O ATOM 128 CB SER A 9 11.001 1.999 -3.419 1.00 0.00 C ATOM 129 OG SER A 9 10.480 3.168 -4.046 1.00 0.00 O ATOM 0 H SER A 9 9.735 2.857 -1.346 1.00 0.00 H new ATOM 0 HA SER A 9 9.226 0.814 -3.380 1.00 0.00 H new ATOM 0 HB2 SER A 9 11.801 2.281 -2.734 1.00 0.00 H new ATOM 0 HB3 SER A 9 11.442 1.348 -4.174 1.00 0.00 H new ATOM 0 HG SER A 9 11.200 3.632 -4.523 1.00 0.00 H new ATOM 135 N GLN A 10 10.334 0.140 -0.544 1.00 0.00 N ATOM 136 CA GLN A 10 10.872 -0.878 0.343 1.00 0.00 C ATOM 137 C GLN A 10 10.657 -2.270 -0.255 1.00 0.00 C ATOM 138 O GLN A 10 9.928 -2.424 -1.233 1.00 0.00 O ATOM 139 CB GLN A 10 10.248 -0.777 1.736 1.00 0.00 C ATOM 140 CG GLN A 10 10.186 0.678 2.205 1.00 0.00 C ATOM 141 CD GLN A 10 11.327 1.498 1.599 1.00 0.00 C ATOM 142 OE1 GLN A 10 11.163 2.213 0.624 1.00 0.00 O ATOM 143 NE2 GLN A 10 12.490 1.355 2.230 1.00 0.00 N ATOM 0 H GLN A 10 9.792 0.868 -0.079 1.00 0.00 H new ATOM 0 HA GLN A 10 11.944 -0.711 0.449 1.00 0.00 H new ATOM 0 HB2 GLN A 10 9.244 -1.201 1.720 1.00 0.00 H new ATOM 0 HB3 GLN A 10 10.832 -1.366 2.443 1.00 0.00 H new ATOM 0 HG2 GLN A 10 9.229 1.115 1.921 1.00 0.00 H new ATOM 0 HG3 GLN A 10 10.244 0.716 3.293 1.00 0.00 H new ATOM 0 HE21 GLN A 10 12.558 0.740 3.041 1.00 0.00 H new ATOM 0 HE22 GLN A 10 13.313 1.861 1.903 1.00 0.00 H new ATOM 152 N PRO A 11 11.305 -3.249 0.359 1.00 0.00 N ATOM 153 CA PRO A 11 11.246 -4.656 -0.041 1.00 0.00 C ATOM 154 C PRO A 11 9.799 -5.151 0.009 1.00 0.00 C ATOM 155 O PRO A 11 9.112 -4.967 1.012 1.00 0.00 O ATOM 156 CB PRO A 11 12.077 -5.371 1.027 1.00 0.00 C ATOM 157 CG PRO A 11 13.005 -4.305 1.532 1.00 0.00 C ATOM 158 CD PRO A 11 12.172 -3.055 1.524 1.00 0.00 C ATOM 0 HA PRO A 11 11.612 -4.828 -1.053 1.00 0.00 H new ATOM 0 HB2 PRO A 11 11.448 -5.765 1.825 1.00 0.00 H new ATOM 0 HB3 PRO A 11 12.626 -6.214 0.608 1.00 0.00 H new ATOM 0 HG2 PRO A 11 13.368 -4.535 2.534 1.00 0.00 H new ATOM 0 HG3 PRO A 11 13.881 -4.204 0.891 1.00 0.00 H new ATOM 0 HD2 PRO A 11 11.596 -2.947 2.443 1.00 0.00 H new ATOM 0 HD3 PRO A 11 12.787 -2.160 1.426 1.00 0.00 H new ATOM 166 N PRO A 12 9.379 -5.767 -1.086 1.00 0.00 N ATOM 167 CA PRO A 12 8.034 -6.319 -1.259 1.00 0.00 C ATOM 168 C PRO A 12 7.758 -7.365 -0.176 1.00 0.00 C ATOM 169 O PRO A 12 8.535 -8.303 -0.004 1.00 0.00 O ATOM 170 CB PRO A 12 8.093 -6.994 -2.631 1.00 0.00 C ATOM 171 CG PRO A 12 9.188 -6.257 -3.345 1.00 0.00 C ATOM 172 CD PRO A 12 10.207 -5.981 -2.276 1.00 0.00 C ATOM 0 HA PRO A 12 7.250 -5.565 -1.187 1.00 0.00 H new ATOM 0 HB2 PRO A 12 8.317 -8.057 -2.545 1.00 0.00 H new ATOM 0 HB3 PRO A 12 7.143 -6.910 -3.159 1.00 0.00 H new ATOM 0 HG2 PRO A 12 9.610 -6.856 -4.152 1.00 0.00 H new ATOM 0 HG3 PRO A 12 8.820 -5.333 -3.792 1.00 0.00 H new ATOM 0 HD2 PRO A 12 10.894 -6.818 -2.146 1.00 0.00 H new ATOM 0 HD3 PRO A 12 10.812 -5.105 -2.510 1.00 0.00 H new ATOM 180 N THR A 13 6.651 -7.169 0.524 1.00 0.00 N ATOM 181 CA THR A 13 6.265 -8.084 1.585 1.00 0.00 C ATOM 182 C THR A 13 4.790 -8.467 1.448 1.00 0.00 C ATOM 183 O THR A 13 4.085 -7.941 0.587 1.00 0.00 O ATOM 184 CB THR A 13 6.600 -7.425 2.924 1.00 0.00 C ATOM 185 OG1 THR A 13 6.282 -6.050 2.723 1.00 0.00 O ATOM 186 CG2 THR A 13 8.102 -7.421 3.215 1.00 0.00 C ATOM 0 H THR A 13 6.009 -6.390 0.378 1.00 0.00 H new ATOM 0 HA THR A 13 6.819 -9.020 1.520 1.00 0.00 H new ATOM 0 HB THR A 13 6.076 -7.945 3.726 1.00 0.00 H new ATOM 0 HG1 THR A 13 5.888 -5.682 3.541 1.00 0.00 H new ATOM 0 HG21 THR A 13 8.285 -6.942 4.177 1.00 0.00 H new ATOM 0 HG22 THR A 13 8.470 -8.447 3.245 1.00 0.00 H new ATOM 0 HG23 THR A 13 8.623 -6.871 2.431 1.00 0.00 H new ATOM 194 N THR A 14 4.365 -9.379 2.311 1.00 0.00 N ATOM 195 CA THR A 14 2.987 -9.837 2.297 1.00 0.00 C ATOM 196 C THR A 14 2.510 -10.134 3.720 1.00 0.00 C ATOM 197 O THR A 14 3.320 -10.384 4.611 1.00 0.00 O ATOM 198 CB THR A 14 2.899 -11.045 1.362 1.00 0.00 C ATOM 199 OG1 THR A 14 4.108 -11.760 1.605 1.00 0.00 O ATOM 200 CG2 THR A 14 2.989 -10.651 -0.113 1.00 0.00 C ATOM 0 H THR A 14 4.951 -9.813 3.024 1.00 0.00 H new ATOM 0 HA THR A 14 2.318 -9.065 1.917 1.00 0.00 H new ATOM 0 HB THR A 14 1.963 -11.574 1.540 1.00 0.00 H new ATOM 0 HG1 THR A 14 4.134 -12.561 1.041 1.00 0.00 H new ATOM 0 HG21 THR A 14 2.921 -11.545 -0.733 1.00 0.00 H new ATOM 0 HG22 THR A 14 2.170 -9.975 -0.360 1.00 0.00 H new ATOM 0 HG23 THR A 14 3.940 -10.152 -0.299 1.00 0.00 H new ATOM 208 N LYS A 15 1.196 -10.098 3.889 1.00 0.00 N ATOM 209 CA LYS A 15 0.601 -10.360 5.189 1.00 0.00 C ATOM 210 C LYS A 15 -0.761 -11.029 4.996 1.00 0.00 C ATOM 211 O LYS A 15 -1.448 -10.774 4.007 1.00 0.00 O ATOM 212 CB LYS A 15 0.544 -9.078 6.021 1.00 0.00 C ATOM 213 CG LYS A 15 -0.227 -9.302 7.323 1.00 0.00 C ATOM 214 CD LYS A 15 0.629 -10.054 8.344 1.00 0.00 C ATOM 215 CE LYS A 15 0.232 -9.681 9.773 1.00 0.00 C ATOM 216 NZ LYS A 15 1.152 -10.308 10.748 1.00 0.00 N ATOM 0 H LYS A 15 0.527 -9.891 3.147 1.00 0.00 H new ATOM 0 HA LYS A 15 1.220 -11.054 5.758 1.00 0.00 H new ATOM 0 HB2 LYS A 15 1.556 -8.742 6.247 1.00 0.00 H new ATOM 0 HB3 LYS A 15 0.067 -8.286 5.443 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -0.535 -8.342 7.738 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -1.136 -9.867 7.119 1.00 0.00 H new ATOM 0 HD2 LYS A 15 0.514 -11.128 8.199 1.00 0.00 H new ATOM 0 HD3 LYS A 15 1.682 -9.822 8.183 1.00 0.00 H new ATOM 0 HE2 LYS A 15 0.251 -8.598 9.891 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -0.790 -10.005 9.969 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 0.868 -10.044 11.713 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 1.113 -11.342 10.646 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 2.122 -9.979 10.571 1.00 0.00 H new ATOM 230 N THR A 16 -1.112 -11.872 5.955 1.00 0.00 N ATOM 231 CA THR A 16 -2.380 -12.580 5.903 1.00 0.00 C ATOM 232 C THR A 16 -3.525 -11.653 6.318 1.00 0.00 C ATOM 233 O THR A 16 -3.462 -11.014 7.367 1.00 0.00 O ATOM 234 CB THR A 16 -2.261 -13.828 6.779 1.00 0.00 C ATOM 235 OG1 THR A 16 -0.957 -14.328 6.497 1.00 0.00 O ATOM 236 CG2 THR A 16 -3.197 -14.952 6.328 1.00 0.00 C ATOM 0 H THR A 16 -0.540 -12.081 6.773 1.00 0.00 H new ATOM 0 HA THR A 16 -2.614 -12.900 4.887 1.00 0.00 H new ATOM 0 HB THR A 16 -2.481 -13.566 7.814 1.00 0.00 H new ATOM 0 HG1 THR A 16 -0.796 -15.138 7.025 1.00 0.00 H new ATOM 0 HG21 THR A 16 -3.073 -15.814 6.983 1.00 0.00 H new ATOM 0 HG22 THR A 16 -4.230 -14.606 6.375 1.00 0.00 H new ATOM 0 HG23 THR A 16 -2.956 -15.237 5.304 1.00 0.00 H new ATOM 244 N CYS A 17 -4.545 -11.611 5.473 1.00 0.00 N ATOM 245 CA CYS A 17 -5.702 -10.773 5.738 1.00 0.00 C ATOM 246 C CYS A 17 -6.628 -11.523 6.698 1.00 0.00 C ATOM 247 O CYS A 17 -7.072 -12.631 6.399 1.00 0.00 O ATOM 248 CB CYS A 17 -6.420 -10.375 4.447 1.00 0.00 C ATOM 249 SG CYS A 17 -5.314 -9.972 3.047 1.00 0.00 S ATOM 0 H CYS A 17 -4.594 -12.144 4.605 1.00 0.00 H new ATOM 0 HA CYS A 17 -5.380 -9.839 6.200 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -7.079 -11.190 4.148 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -7.053 -9.512 4.651 1.00 0.00 H new ATOM 254 N SER A 18 -6.891 -10.890 7.832 1.00 0.00 N ATOM 255 CA SER A 18 -7.756 -11.483 8.837 1.00 0.00 C ATOM 256 C SER A 18 -9.142 -10.837 8.783 1.00 0.00 C ATOM 257 O SER A 18 -9.283 -9.641 9.033 1.00 0.00 O ATOM 258 CB SER A 18 -7.155 -11.335 10.237 1.00 0.00 C ATOM 259 OG SER A 18 -5.735 -11.449 10.223 1.00 0.00 O ATOM 0 H SER A 18 -6.520 -9.972 8.077 1.00 0.00 H new ATOM 0 HA SER A 18 -7.850 -12.547 8.622 1.00 0.00 H new ATOM 0 HB2 SER A 18 -7.437 -10.367 10.652 1.00 0.00 H new ATOM 0 HB3 SER A 18 -7.573 -12.098 10.894 1.00 0.00 H new ATOM 0 HG SER A 18 -5.390 -11.347 11.134 1.00 0.00 H new ATOM 265 N GLY A 19 -10.129 -11.657 8.455 1.00 0.00 N ATOM 266 CA GLY A 19 -11.499 -11.180 8.365 1.00 0.00 C ATOM 267 C GLY A 19 -11.729 -10.416 7.059 1.00 0.00 C ATOM 268 O GLY A 19 -12.867 -10.108 6.708 1.00 0.00 O ATOM 0 H GLY A 19 -10.008 -12.648 8.248 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -12.186 -12.024 8.423 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -11.719 -10.532 9.213 1.00 0.00 H new ATOM 272 N GLU A 20 -10.630 -10.132 6.376 1.00 0.00 N ATOM 273 CA GLU A 20 -10.697 -9.410 5.117 1.00 0.00 C ATOM 274 C GLU A 20 -10.498 -10.370 3.943 1.00 0.00 C ATOM 275 O GLU A 20 -9.915 -11.442 4.104 1.00 0.00 O ATOM 276 CB GLU A 20 -9.669 -8.277 5.079 1.00 0.00 C ATOM 277 CG GLU A 20 -9.578 -7.574 6.435 1.00 0.00 C ATOM 278 CD GLU A 20 -8.341 -6.675 6.504 1.00 0.00 C ATOM 279 OE1 GLU A 20 -7.227 -7.240 6.466 1.00 0.00 O ATOM 280 OE2 GLU A 20 -8.539 -5.444 6.593 1.00 0.00 O ATOM 0 H GLU A 20 -9.688 -10.389 6.671 1.00 0.00 H new ATOM 0 HA GLU A 20 -11.687 -8.962 5.030 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -8.692 -8.676 4.806 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -9.945 -7.556 4.309 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -10.475 -6.978 6.601 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -9.537 -8.317 7.232 1.00 0.00 H new ATOM 287 N THR A 21 -10.994 -9.953 2.787 1.00 0.00 N ATOM 288 CA THR A 21 -10.878 -10.762 1.586 1.00 0.00 C ATOM 289 C THR A 21 -10.473 -9.893 0.394 1.00 0.00 C ATOM 290 O THR A 21 -10.601 -10.312 -0.756 1.00 0.00 O ATOM 291 CB THR A 21 -12.204 -11.496 1.381 1.00 0.00 C ATOM 292 OG1 THR A 21 -13.194 -10.516 1.682 1.00 0.00 O ATOM 293 CG2 THR A 21 -12.436 -12.591 2.424 1.00 0.00 C ATOM 0 H THR A 21 -11.478 -9.064 2.657 1.00 0.00 H new ATOM 0 HA THR A 21 -10.089 -11.508 1.686 1.00 0.00 H new ATOM 0 HB THR A 21 -12.224 -11.935 0.383 1.00 0.00 H new ATOM 0 HG1 THR A 21 -14.086 -10.908 1.573 1.00 0.00 H new ATOM 0 HG21 THR A 21 -13.391 -13.080 2.232 1.00 0.00 H new ATOM 0 HG22 THR A 21 -11.634 -13.326 2.364 1.00 0.00 H new ATOM 0 HG23 THR A 21 -12.449 -12.148 3.420 1.00 0.00 H new ATOM 301 N ASN A 22 -9.992 -8.699 0.709 1.00 0.00 N ATOM 302 CA ASN A 22 -9.568 -7.768 -0.322 1.00 0.00 C ATOM 303 C ASN A 22 -8.224 -7.154 0.073 1.00 0.00 C ATOM 304 O ASN A 22 -7.889 -7.092 1.255 1.00 0.00 O ATOM 305 CB ASN A 22 -10.578 -6.630 -0.486 1.00 0.00 C ATOM 306 CG ASN A 22 -11.953 -7.170 -0.884 1.00 0.00 C ATOM 307 OD1 ASN A 22 -12.308 -7.237 -2.049 1.00 0.00 O ATOM 308 ND2 ASN A 22 -12.704 -7.550 0.146 1.00 0.00 N ATOM 0 H ASN A 22 -9.887 -8.355 1.664 1.00 0.00 H new ATOM 0 HA ASN A 22 -9.488 -8.317 -1.260 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -10.658 -6.073 0.448 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -10.224 -5.932 -1.244 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -13.639 -7.925 -0.015 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -12.345 -7.467 1.097 1.00 0.00 H new ATOM 315 N CYS A 23 -7.489 -6.715 -0.939 1.00 0.00 N ATOM 316 CA CYS A 23 -6.189 -6.108 -0.711 1.00 0.00 C ATOM 317 C CYS A 23 -6.243 -4.659 -1.200 1.00 0.00 C ATOM 318 O CYS A 23 -6.787 -4.380 -2.267 1.00 0.00 O ATOM 319 CB CYS A 23 -5.069 -6.898 -1.392 1.00 0.00 C ATOM 320 SG CYS A 23 -5.032 -8.682 -0.985 1.00 0.00 S ATOM 0 H CYS A 23 -7.769 -6.768 -1.918 1.00 0.00 H new ATOM 0 HA CYS A 23 -5.960 -6.123 0.354 1.00 0.00 H new ATOM 0 HB2 CYS A 23 -5.170 -6.788 -2.472 1.00 0.00 H new ATOM 0 HB3 CYS A 23 -4.112 -6.456 -1.115 1.00 0.00 H new ATOM 325 N TYR A 24 -5.671 -3.776 -0.395 1.00 0.00 N ATOM 326 CA TYR A 24 -5.647 -2.362 -0.732 1.00 0.00 C ATOM 327 C TYR A 24 -4.212 -1.872 -0.938 1.00 0.00 C ATOM 328 O TYR A 24 -3.278 -2.407 -0.344 1.00 0.00 O ATOM 329 CB TYR A 24 -6.256 -1.633 0.467 1.00 0.00 C ATOM 330 CG TYR A 24 -5.285 -1.433 1.632 1.00 0.00 C ATOM 331 CD1 TYR A 24 -4.472 -0.319 1.670 1.00 0.00 C ATOM 332 CD2 TYR A 24 -5.222 -2.368 2.646 1.00 0.00 C ATOM 333 CE1 TYR A 24 -3.558 -0.131 2.768 1.00 0.00 C ATOM 334 CE2 TYR A 24 -4.308 -2.181 3.743 1.00 0.00 C ATOM 335 CZ TYR A 24 -3.521 -1.072 3.749 1.00 0.00 C ATOM 336 OH TYR A 24 -2.658 -0.894 4.785 1.00 0.00 O ATOM 0 H TYR A 24 -5.221 -4.012 0.489 1.00 0.00 H new ATOM 0 HA TYR A 24 -6.195 -2.178 -1.656 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -6.621 -0.659 0.140 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -7.120 -2.195 0.820 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -4.521 0.412 0.877 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -5.858 -3.240 2.616 1.00 0.00 H new ATOM 0 HE1 TYR A 24 -2.917 0.737 2.811 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -4.249 -2.905 4.542 1.00 0.00 H new ATOM 0 HH TYR A 24 -1.955 -0.264 4.521 1.00 0.00 H new ATOM 346 N LYS A 25 -4.083 -0.859 -1.782 1.00 0.00 N ATOM 347 CA LYS A 25 -2.778 -0.290 -2.074 1.00 0.00 C ATOM 348 C LYS A 25 -2.879 1.237 -2.068 1.00 0.00 C ATOM 349 O LYS A 25 -3.593 1.818 -2.883 1.00 0.00 O ATOM 350 CB LYS A 25 -2.222 -0.864 -3.379 1.00 0.00 C ATOM 351 CG LYS A 25 -0.945 -0.135 -3.799 1.00 0.00 C ATOM 352 CD LYS A 25 -0.400 -0.696 -5.114 1.00 0.00 C ATOM 353 CE LYS A 25 -1.477 -0.687 -6.201 1.00 0.00 C ATOM 354 NZ LYS A 25 -2.268 -1.937 -6.159 1.00 0.00 N ATOM 0 H LYS A 25 -4.860 -0.418 -2.273 1.00 0.00 H new ATOM 0 HA LYS A 25 -2.061 -0.566 -1.301 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -2.014 -1.927 -3.253 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -2.970 -0.777 -4.167 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -1.150 0.930 -3.911 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -0.192 -0.234 -3.017 1.00 0.00 H new ATOM 0 HD2 LYS A 25 0.455 -0.104 -5.439 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -0.043 -1.714 -4.959 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -2.135 0.171 -6.062 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -1.012 -0.577 -7.181 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -2.074 -2.500 -7.012 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -2.006 -2.485 -5.315 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -3.281 -1.706 -6.120 1.00 0.00 H new ATOM 368 N LYS A 26 -2.153 1.842 -1.139 1.00 0.00 N ATOM 369 CA LYS A 26 -2.152 3.290 -1.016 1.00 0.00 C ATOM 370 C LYS A 26 -0.801 3.836 -1.482 1.00 0.00 C ATOM 371 O LYS A 26 0.239 3.233 -1.224 1.00 0.00 O ATOM 372 CB LYS A 26 -2.526 3.707 0.407 1.00 0.00 C ATOM 373 CG LYS A 26 -2.925 5.183 0.459 1.00 0.00 C ATOM 374 CD LYS A 26 -2.824 5.729 1.885 1.00 0.00 C ATOM 375 CE LYS A 26 -3.082 4.626 2.914 1.00 0.00 C ATOM 376 NZ LYS A 26 -4.346 3.920 2.610 1.00 0.00 N ATOM 0 H LYS A 26 -1.562 1.356 -0.465 1.00 0.00 H new ATOM 0 HA LYS A 26 -2.913 3.728 -1.662 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -3.351 3.091 0.765 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -1.683 3.531 1.075 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -2.280 5.761 -0.202 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -3.945 5.301 0.092 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -1.834 6.157 2.045 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -3.545 6.535 2.022 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -2.253 3.918 2.912 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -3.131 5.057 3.914 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -4.187 2.893 2.643 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -5.067 4.182 3.312 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -4.674 4.189 1.660 1.00 0.00 H new ATOM 390 N TRP A 27 -0.860 4.972 -2.162 1.00 0.00 N ATOM 391 CA TRP A 27 0.346 5.606 -2.666 1.00 0.00 C ATOM 392 C TRP A 27 0.024 7.074 -2.954 1.00 0.00 C ATOM 393 O TRP A 27 -1.077 7.396 -3.398 1.00 0.00 O ATOM 394 CB TRP A 27 0.886 4.862 -3.889 1.00 0.00 C ATOM 395 CG TRP A 27 0.051 5.057 -5.156 1.00 0.00 C ATOM 396 CD1 TRP A 27 0.244 5.942 -6.144 1.00 0.00 C ATOM 397 CD2 TRP A 27 -1.126 4.312 -5.533 1.00 0.00 C ATOM 398 NE1 TRP A 27 -0.718 5.822 -7.126 1.00 0.00 N ATOM 399 CE2 TRP A 27 -1.577 4.799 -6.743 1.00 0.00 C ATOM 400 CE3 TRP A 27 -1.787 3.260 -4.874 1.00 0.00 C ATOM 401 CZ2 TRP A 27 -2.707 4.295 -7.398 1.00 0.00 C ATOM 402 CZ3 TRP A 27 -2.915 2.768 -5.542 1.00 0.00 C ATOM 403 CH2 TRP A 27 -3.382 3.247 -6.760 1.00 0.00 C ATOM 0 H TRP A 27 -1.724 5.469 -2.376 1.00 0.00 H new ATOM 0 HA TRP A 27 1.143 5.564 -1.924 1.00 0.00 H new ATOM 0 HB2 TRP A 27 1.905 5.196 -4.083 1.00 0.00 H new ATOM 0 HB3 TRP A 27 0.937 3.797 -3.660 1.00 0.00 H new ATOM 0 HD1 TRP A 27 1.051 6.659 -6.168 1.00 0.00 H new ATOM 0 HE1 TRP A 27 -0.786 6.381 -7.976 1.00 0.00 H new ATOM 0 HE3 TRP A 27 -1.451 2.863 -3.927 1.00 0.00 H new ATOM 0 HZ2 TRP A 27 -3.040 4.693 -8.345 1.00 0.00 H new ATOM 0 HZ3 TRP A 27 -3.460 1.959 -5.078 1.00 0.00 H new ATOM 0 HH2 TRP A 27 -4.261 2.813 -7.212 1.00 0.00 H new ATOM 414 N TRP A 28 1.004 7.925 -2.688 1.00 0.00 N ATOM 415 CA TRP A 28 0.839 9.351 -2.913 1.00 0.00 C ATOM 416 C TRP A 28 2.230 9.979 -3.010 1.00 0.00 C ATOM 417 O TRP A 28 3.233 9.320 -2.739 1.00 0.00 O ATOM 418 CB TRP A 28 -0.027 9.981 -1.820 1.00 0.00 C ATOM 419 CG TRP A 28 0.608 9.951 -0.428 1.00 0.00 C ATOM 420 CD1 TRP A 28 1.243 10.943 0.211 1.00 0.00 C ATOM 421 CD2 TRP A 28 0.644 8.826 0.476 1.00 0.00 C ATOM 422 NE1 TRP A 28 1.683 10.542 1.456 1.00 0.00 N ATOM 423 CE2 TRP A 28 1.308 9.214 1.622 1.00 0.00 C ATOM 424 CE3 TRP A 28 0.133 7.525 0.330 1.00 0.00 C ATOM 425 CZ2 TRP A 28 1.522 8.359 2.710 1.00 0.00 C ATOM 426 CZ3 TRP A 28 0.355 6.683 1.426 1.00 0.00 C ATOM 427 CH2 TRP A 28 1.021 7.058 2.587 1.00 0.00 C ATOM 0 H TRP A 28 1.915 7.654 -2.319 1.00 0.00 H new ATOM 0 HA TRP A 28 0.309 9.535 -3.847 1.00 0.00 H new ATOM 0 HB2 TRP A 28 -0.238 11.016 -2.090 1.00 0.00 H new ATOM 0 HB3 TRP A 28 -0.984 9.460 -1.783 1.00 0.00 H new ATOM 0 HD1 TRP A 28 1.392 11.932 -0.197 1.00 0.00 H new ATOM 0 HE1 TRP A 28 2.190 11.115 2.130 1.00 0.00 H new ATOM 0 HE3 TRP A 28 -0.390 7.200 -0.558 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 2.045 8.686 3.596 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 -0.017 5.671 1.365 1.00 0.00 H new ATOM 0 HH2 TRP A 28 1.151 6.348 3.391 1.00 0.00 H new ATOM 438 N SER A 29 2.247 11.246 -3.397 1.00 0.00 N ATOM 439 CA SER A 29 3.499 11.970 -3.534 1.00 0.00 C ATOM 440 C SER A 29 3.679 12.930 -2.356 1.00 0.00 C ATOM 441 O SER A 29 2.700 13.385 -1.766 1.00 0.00 O ATOM 442 CB SER A 29 3.551 12.737 -4.857 1.00 0.00 C ATOM 443 OG SER A 29 2.621 13.816 -4.885 1.00 0.00 O ATOM 0 H SER A 29 1.413 11.790 -3.620 1.00 0.00 H new ATOM 0 HA SER A 29 4.314 11.247 -3.533 1.00 0.00 H new ATOM 0 HB2 SER A 29 4.558 13.123 -5.013 1.00 0.00 H new ATOM 0 HB3 SER A 29 3.340 12.055 -5.680 1.00 0.00 H new ATOM 0 HG SER A 29 2.686 14.282 -5.745 1.00 0.00 H new ATOM 449 N ASP A 30 4.937 13.211 -2.050 1.00 0.00 N ATOM 450 CA ASP A 30 5.258 14.109 -0.954 1.00 0.00 C ATOM 451 C ASP A 30 6.527 14.892 -1.296 1.00 0.00 C ATOM 452 O ASP A 30 7.236 14.550 -2.241 1.00 0.00 O ATOM 453 CB ASP A 30 5.517 13.331 0.338 1.00 0.00 C ATOM 454 CG ASP A 30 5.395 14.153 1.623 1.00 0.00 C ATOM 455 OD1 ASP A 30 4.759 15.226 1.552 1.00 0.00 O ATOM 456 OD2 ASP A 30 5.942 13.689 2.647 1.00 0.00 O ATOM 0 H ASP A 30 5.746 12.832 -2.542 1.00 0.00 H new ATOM 0 HA ASP A 30 4.410 14.779 -0.808 1.00 0.00 H new ATOM 0 HB2 ASP A 30 4.816 12.498 0.389 1.00 0.00 H new ATOM 0 HB3 ASP A 30 6.518 12.903 0.292 1.00 0.00 H new ATOM 461 N HIS A 31 6.775 15.929 -0.509 1.00 0.00 N ATOM 462 CA HIS A 31 7.946 16.763 -0.717 1.00 0.00 C ATOM 463 C HIS A 31 9.211 15.959 -0.407 1.00 0.00 C ATOM 464 O HIS A 31 10.320 16.404 -0.698 1.00 0.00 O ATOM 465 CB HIS A 31 7.848 18.051 0.102 1.00 0.00 C ATOM 466 CG HIS A 31 6.505 18.737 0.011 1.00 0.00 C ATOM 467 ND1 HIS A 31 5.467 18.249 -0.763 1.00 0.00 N ATOM 468 CD2 HIS A 31 6.043 19.874 0.604 1.00 0.00 C ATOM 469 CE1 HIS A 31 4.431 19.066 -0.635 1.00 0.00 C ATOM 470 NE2 HIS A 31 4.790 20.073 0.212 1.00 0.00 N ATOM 0 H HIS A 31 6.185 16.210 0.274 1.00 0.00 H new ATOM 0 HA HIS A 31 7.998 17.068 -1.762 1.00 0.00 H new ATOM 0 HB2 HIS A 31 8.057 17.822 1.147 1.00 0.00 H new ATOM 0 HB3 HIS A 31 8.621 18.742 -0.234 1.00 0.00 H new ATOM 0 HD2 HIS A 31 6.601 20.506 1.279 1.00 0.00 H new ATOM 0 HE1 HIS A 31 3.471 18.954 -1.117 1.00 0.00 H new ATOM 0 HE2 HIS A 31 4.194 20.850 0.497 1.00 0.00 H new ATOM 479 N ARG A 32 9.001 14.789 0.178 1.00 0.00 N ATOM 480 CA ARG A 32 10.110 13.919 0.530 1.00 0.00 C ATOM 481 C ARG A 32 10.233 12.779 -0.483 1.00 0.00 C ATOM 482 O ARG A 32 11.324 12.256 -0.705 1.00 0.00 O ATOM 483 CB ARG A 32 9.925 13.329 1.930 1.00 0.00 C ATOM 484 CG ARG A 32 11.227 12.709 2.440 1.00 0.00 C ATOM 485 CD ARG A 32 11.040 12.113 3.837 1.00 0.00 C ATOM 486 NE ARG A 32 10.374 10.795 3.740 1.00 0.00 N ATOM 487 CZ ARG A 32 9.884 10.123 4.791 1.00 0.00 C ATOM 488 NH1 ARG A 32 9.983 10.640 6.023 1.00 0.00 N ATOM 489 NH2 ARG A 32 9.295 8.933 4.609 1.00 0.00 N ATOM 0 H ARG A 32 8.079 14.423 0.417 1.00 0.00 H new ATOM 0 HA ARG A 32 11.019 14.520 0.518 1.00 0.00 H new ATOM 0 HB2 ARG A 32 9.596 14.109 2.617 1.00 0.00 H new ATOM 0 HB3 ARG A 32 9.141 12.572 1.909 1.00 0.00 H new ATOM 0 HG2 ARG A 32 11.559 11.932 1.751 1.00 0.00 H new ATOM 0 HG3 ARG A 32 12.009 13.467 2.466 1.00 0.00 H new ATOM 0 HD2 ARG A 32 12.007 12.006 4.328 1.00 0.00 H new ATOM 0 HD3 ARG A 32 10.443 12.787 4.452 1.00 0.00 H new ATOM 0 HE ARG A 32 10.282 10.372 2.816 1.00 0.00 H new ATOM 0 HH11 ARG A 32 10.431 11.546 6.162 1.00 0.00 H new ATOM 0 HH12 ARG A 32 9.610 10.128 6.822 1.00 0.00 H new ATOM 0 HH21 ARG A 32 9.220 8.539 3.671 1.00 0.00 H new ATOM 0 HH22 ARG A 32 8.922 8.421 5.408 1.00 0.00 H new ATOM 503 N GLY A 33 9.099 12.428 -1.072 1.00 0.00 N ATOM 504 CA GLY A 33 9.066 11.361 -2.056 1.00 0.00 C ATOM 505 C GLY A 33 7.674 10.730 -2.135 1.00 0.00 C ATOM 506 O GLY A 33 6.739 11.198 -1.487 1.00 0.00 O ATOM 0 H GLY A 33 8.196 12.864 -0.886 1.00 0.00 H new ATOM 0 HA2 GLY A 33 9.347 11.754 -3.033 1.00 0.00 H new ATOM 0 HA3 GLY A 33 9.800 10.599 -1.796 1.00 0.00 H new ATOM 510 N THR A 34 7.581 9.676 -2.933 1.00 0.00 N ATOM 511 CA THR A 34 6.319 8.976 -3.104 1.00 0.00 C ATOM 512 C THR A 34 6.131 7.938 -1.997 1.00 0.00 C ATOM 513 O THR A 34 6.870 6.956 -1.929 1.00 0.00 O ATOM 514 CB THR A 34 6.299 8.375 -4.511 1.00 0.00 C ATOM 515 OG1 THR A 34 6.007 9.483 -5.358 1.00 0.00 O ATOM 516 CG2 THR A 34 5.121 7.422 -4.724 1.00 0.00 C ATOM 0 H THR A 34 8.359 9.290 -3.468 1.00 0.00 H new ATOM 0 HA THR A 34 5.473 9.657 -3.014 1.00 0.00 H new ATOM 0 HB THR A 34 7.233 7.843 -4.692 1.00 0.00 H new ATOM 0 HG1 THR A 34 5.977 9.183 -6.290 1.00 0.00 H new ATOM 0 HG21 THR A 34 5.154 7.024 -5.738 1.00 0.00 H new ATOM 0 HG22 THR A 34 5.183 6.601 -4.010 1.00 0.00 H new ATOM 0 HG23 THR A 34 4.185 7.961 -4.576 1.00 0.00 H new ATOM 524 N ILE A 35 5.139 8.189 -1.156 1.00 0.00 N ATOM 525 CA ILE A 35 4.844 7.288 -0.055 1.00 0.00 C ATOM 526 C ILE A 35 3.838 6.233 -0.520 1.00 0.00 C ATOM 527 O ILE A 35 2.832 6.563 -1.145 1.00 0.00 O ATOM 528 CB ILE A 35 4.385 8.076 1.174 1.00 0.00 C ATOM 529 CG1 ILE A 35 5.409 9.148 1.552 1.00 0.00 C ATOM 530 CG2 ILE A 35 4.079 7.138 2.344 1.00 0.00 C ATOM 531 CD1 ILE A 35 5.084 9.761 2.916 1.00 0.00 C ATOM 0 H ILE A 35 4.529 9.004 -1.215 1.00 0.00 H new ATOM 0 HA ILE A 35 5.744 6.756 0.254 1.00 0.00 H new ATOM 0 HB ILE A 35 3.458 8.591 0.923 1.00 0.00 H new ATOM 0 HG12 ILE A 35 6.407 8.711 1.575 1.00 0.00 H new ATOM 0 HG13 ILE A 35 5.420 9.929 0.792 1.00 0.00 H new ATOM 0 HG21 ILE A 35 3.755 7.723 3.205 1.00 0.00 H new ATOM 0 HG22 ILE A 35 3.288 6.445 2.058 1.00 0.00 H new ATOM 0 HG23 ILE A 35 4.976 6.576 2.604 1.00 0.00 H new ATOM 0 HD11 ILE A 35 5.827 10.520 3.160 1.00 0.00 H new ATOM 0 HD12 ILE A 35 4.095 10.219 2.883 1.00 0.00 H new ATOM 0 HD13 ILE A 35 5.097 8.981 3.678 1.00 0.00 H new ATOM 543 N ILE A 36 4.145 4.986 -0.196 1.00 0.00 N ATOM 544 CA ILE A 36 3.280 3.881 -0.573 1.00 0.00 C ATOM 545 C ILE A 36 2.965 3.040 0.666 1.00 0.00 C ATOM 546 O ILE A 36 3.874 2.565 1.346 1.00 0.00 O ATOM 547 CB ILE A 36 3.903 3.079 -1.718 1.00 0.00 C ATOM 548 CG1 ILE A 36 4.515 4.009 -2.768 1.00 0.00 C ATOM 549 CG2 ILE A 36 2.884 2.115 -2.330 1.00 0.00 C ATOM 550 CD1 ILE A 36 5.160 3.207 -3.900 1.00 0.00 C ATOM 0 H ILE A 36 4.980 4.716 0.323 1.00 0.00 H new ATOM 0 HA ILE A 36 2.330 4.254 -0.956 1.00 0.00 H new ATOM 0 HB ILE A 36 4.714 2.475 -1.311 1.00 0.00 H new ATOM 0 HG12 ILE A 36 3.743 4.663 -3.174 1.00 0.00 H new ATOM 0 HG13 ILE A 36 5.262 4.650 -2.300 1.00 0.00 H new ATOM 0 HG21 ILE A 36 3.352 1.557 -3.141 1.00 0.00 H new ATOM 0 HG22 ILE A 36 2.536 1.420 -1.566 1.00 0.00 H new ATOM 0 HG23 ILE A 36 2.037 2.680 -2.720 1.00 0.00 H new ATOM 0 HD11 ILE A 36 5.587 3.891 -4.633 1.00 0.00 H new ATOM 0 HD12 ILE A 36 5.947 2.572 -3.493 1.00 0.00 H new ATOM 0 HD13 ILE A 36 4.405 2.585 -4.381 1.00 0.00 H new ATOM 562 N GLU A 37 1.675 2.882 0.922 1.00 0.00 N ATOM 563 CA GLU A 37 1.229 2.106 2.067 1.00 0.00 C ATOM 564 C GLU A 37 0.197 1.063 1.633 1.00 0.00 C ATOM 565 O GLU A 37 -0.900 1.413 1.199 1.00 0.00 O ATOM 566 CB GLU A 37 0.662 3.017 3.159 1.00 0.00 C ATOM 567 CG GLU A 37 0.877 2.409 4.546 1.00 0.00 C ATOM 568 CD GLU A 37 -0.300 1.514 4.941 1.00 0.00 C ATOM 569 OE1 GLU A 37 -1.077 1.162 4.027 1.00 0.00 O ATOM 570 OE2 GLU A 37 -0.397 1.203 6.148 1.00 0.00 O ATOM 0 H GLU A 37 0.924 3.278 0.356 1.00 0.00 H new ATOM 0 HA GLU A 37 2.090 1.584 2.485 1.00 0.00 H new ATOM 0 HB2 GLU A 37 1.142 3.994 3.108 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -0.403 3.176 2.989 1.00 0.00 H new ATOM 0 HG2 GLU A 37 1.799 1.828 4.553 1.00 0.00 H new ATOM 0 HG3 GLU A 37 0.996 3.205 5.281 1.00 0.00 H new ATOM 577 N ARG A 38 0.585 -0.197 1.764 1.00 0.00 N ATOM 578 CA ARG A 38 -0.293 -1.293 1.391 1.00 0.00 C ATOM 579 C ARG A 38 -0.590 -2.173 2.607 1.00 0.00 C ATOM 580 O ARG A 38 0.139 -2.137 3.597 1.00 0.00 O ATOM 581 CB ARG A 38 0.335 -2.151 0.291 1.00 0.00 C ATOM 582 CG ARG A 38 0.809 -1.284 -0.878 1.00 0.00 C ATOM 583 CD ARG A 38 0.991 -2.123 -2.144 1.00 0.00 C ATOM 584 NE ARG A 38 1.934 -1.449 -3.066 1.00 0.00 N ATOM 585 CZ ARG A 38 3.226 -1.230 -2.790 1.00 0.00 C ATOM 586 NH1 ARG A 38 3.739 -1.629 -1.618 1.00 0.00 N ATOM 587 NH2 ARG A 38 4.007 -0.611 -3.687 1.00 0.00 N ATOM 0 H ARG A 38 1.496 -0.483 2.123 1.00 0.00 H new ATOM 0 HA ARG A 38 -1.221 -0.862 1.015 1.00 0.00 H new ATOM 0 HB2 ARG A 38 1.177 -2.711 0.698 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -0.392 -2.882 -0.065 1.00 0.00 H new ATOM 0 HG2 ARG A 38 0.085 -0.491 -1.064 1.00 0.00 H new ATOM 0 HG3 ARG A 38 1.751 -0.801 -0.619 1.00 0.00 H new ATOM 0 HD2 ARG A 38 1.368 -3.112 -1.884 1.00 0.00 H new ATOM 0 HD3 ARG A 38 0.029 -2.268 -2.636 1.00 0.00 H new ATOM 0 HE ARG A 38 1.577 -1.132 -3.967 1.00 0.00 H new ATOM 0 HH11 ARG A 38 3.145 -2.100 -0.935 1.00 0.00 H new ATOM 0 HH12 ARG A 38 4.723 -1.462 -1.409 1.00 0.00 H new ATOM 0 HH21 ARG A 38 3.617 -0.307 -4.579 1.00 0.00 H new ATOM 0 HH22 ARG A 38 4.991 -0.444 -3.477 1.00 0.00 H new ATOM 601 N GLY A 39 -1.663 -2.942 2.492 1.00 0.00 N ATOM 602 CA GLY A 39 -2.066 -3.829 3.570 1.00 0.00 C ATOM 603 C GLY A 39 -3.292 -4.653 3.173 1.00 0.00 C ATOM 604 O GLY A 39 -3.772 -4.554 2.044 1.00 0.00 O ATOM 0 H GLY A 39 -2.265 -2.969 1.669 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -1.242 -4.496 3.824 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -2.290 -3.244 4.462 1.00 0.00 H new ATOM 608 N CYS A 40 -3.765 -5.447 4.122 1.00 0.00 N ATOM 609 CA CYS A 40 -4.927 -6.287 3.885 1.00 0.00 C ATOM 610 C CYS A 40 -6.184 -5.450 4.133 1.00 0.00 C ATOM 611 O CYS A 40 -6.160 -4.508 4.924 1.00 0.00 O ATOM 612 CB CYS A 40 -4.900 -7.547 4.752 1.00 0.00 C ATOM 613 SG CYS A 40 -3.844 -8.897 4.112 1.00 0.00 S ATOM 0 H CYS A 40 -3.365 -5.527 5.057 1.00 0.00 H new ATOM 0 HA CYS A 40 -4.922 -6.636 2.852 1.00 0.00 H new ATOM 0 HB2 CYS A 40 -4.555 -7.277 5.750 1.00 0.00 H new ATOM 0 HB3 CYS A 40 -5.919 -7.920 4.857 1.00 0.00 H new ATOM 618 N GLY A 41 -7.251 -5.824 3.443 1.00 0.00 N ATOM 619 CA GLY A 41 -8.515 -5.120 3.579 1.00 0.00 C ATOM 620 C GLY A 41 -8.674 -4.065 2.482 1.00 0.00 C ATOM 621 O GLY A 41 -7.925 -4.059 1.507 1.00 0.00 O ATOM 0 H GLY A 41 -7.267 -6.606 2.788 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -9.339 -5.831 3.527 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -8.567 -4.643 4.558 1.00 0.00 H new ATOM 625 N CYS A 42 -9.657 -3.197 2.679 1.00 0.00 N ATOM 626 CA CYS A 42 -9.925 -2.140 1.719 1.00 0.00 C ATOM 627 C CYS A 42 -10.407 -0.907 2.485 1.00 0.00 C ATOM 628 O CYS A 42 -11.593 -0.583 2.463 1.00 0.00 O ATOM 629 CB CYS A 42 -10.933 -2.582 0.657 1.00 0.00 C ATOM 630 SG CYS A 42 -11.449 -1.267 -0.507 1.00 0.00 S ATOM 0 H CYS A 42 -10.277 -3.205 3.489 1.00 0.00 H new ATOM 0 HA CYS A 42 -9.011 -1.896 1.178 1.00 0.00 H new ATOM 0 HB2 CYS A 42 -10.501 -3.404 0.086 1.00 0.00 H new ATOM 0 HB3 CYS A 42 -11.819 -2.973 1.158 1.00 0.00 H new ATOM 635 N PRO A 43 -9.462 -0.252 3.144 1.00 0.00 N ATOM 636 CA PRO A 43 -9.700 0.953 3.942 1.00 0.00 C ATOM 637 C PRO A 43 -10.040 2.142 3.042 1.00 0.00 C ATOM 638 O PRO A 43 -10.054 2.015 1.819 1.00 0.00 O ATOM 639 CB PRO A 43 -8.364 1.174 4.655 1.00 0.00 C ATOM 640 CG PRO A 43 -7.359 0.558 3.727 1.00 0.00 C ATOM 641 CD PRO A 43 -8.053 -0.649 3.161 1.00 0.00 C ATOM 0 HA PRO A 43 -10.539 0.851 4.630 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -8.165 2.234 4.814 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -8.349 0.697 5.635 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -7.069 1.253 2.940 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -6.449 0.279 4.258 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -7.691 -0.889 2.161 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -7.892 -1.532 3.779 1.00 0.00 H new ATOM 649 N LYS A 44 -10.307 3.272 3.682 1.00 0.00 N ATOM 650 CA LYS A 44 -10.646 4.482 2.954 1.00 0.00 C ATOM 651 C LYS A 44 -9.509 5.495 3.100 1.00 0.00 C ATOM 652 O LYS A 44 -8.933 5.637 4.177 1.00 0.00 O ATOM 653 CB LYS A 44 -12.007 5.016 3.407 1.00 0.00 C ATOM 654 CG LYS A 44 -11.904 5.687 4.778 1.00 0.00 C ATOM 655 CD LYS A 44 -13.164 6.499 5.086 1.00 0.00 C ATOM 656 CE LYS A 44 -14.274 5.601 5.636 1.00 0.00 C ATOM 657 NZ LYS A 44 -15.020 4.962 4.529 1.00 0.00 N ATOM 0 H LYS A 44 -10.295 3.374 4.697 1.00 0.00 H new ATOM 0 HA LYS A 44 -10.750 4.270 1.890 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -12.383 5.731 2.675 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -12.726 4.198 3.452 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -11.758 4.929 5.548 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -11.031 6.339 4.803 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -12.930 7.279 5.810 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -13.510 6.998 4.181 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -13.844 4.836 6.282 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -14.956 6.190 6.250 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -16.032 5.185 4.618 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -14.665 5.320 3.619 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -14.888 3.931 4.571 1.00 0.00 H new ATOM 671 N VAL A 45 -9.220 6.175 1.999 1.00 0.00 N ATOM 672 CA VAL A 45 -8.162 7.170 1.991 1.00 0.00 C ATOM 673 C VAL A 45 -8.771 8.553 1.747 1.00 0.00 C ATOM 674 O VAL A 45 -9.901 8.663 1.274 1.00 0.00 O ATOM 675 CB VAL A 45 -7.098 6.795 0.957 1.00 0.00 C ATOM 676 CG1 VAL A 45 -6.610 5.361 1.169 1.00 0.00 C ATOM 677 CG2 VAL A 45 -7.624 6.991 -0.466 1.00 0.00 C ATOM 0 H VAL A 45 -9.700 6.056 1.107 1.00 0.00 H new ATOM 0 HA VAL A 45 -7.660 7.201 2.958 1.00 0.00 H new ATOM 0 HB VAL A 45 -6.247 7.462 1.094 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -5.855 5.119 0.421 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -6.178 5.267 2.165 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -7.450 4.673 1.072 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -6.848 6.717 -1.181 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -8.499 6.360 -0.621 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -7.900 8.036 -0.611 1.00 0.00 H new ATOM 687 N LYS A 46 -7.995 9.573 2.081 1.00 0.00 N ATOM 688 CA LYS A 46 -8.443 10.944 1.904 1.00 0.00 C ATOM 689 C LYS A 46 -8.113 11.405 0.483 1.00 0.00 C ATOM 690 O LYS A 46 -7.398 10.719 -0.245 1.00 0.00 O ATOM 691 CB LYS A 46 -7.859 11.844 2.995 1.00 0.00 C ATOM 692 CG LYS A 46 -7.831 11.123 4.344 1.00 0.00 C ATOM 693 CD LYS A 46 -7.274 12.034 5.440 1.00 0.00 C ATOM 694 CE LYS A 46 -8.372 12.927 6.021 1.00 0.00 C ATOM 695 NZ LYS A 46 -9.184 12.178 7.005 1.00 0.00 N ATOM 0 H LYS A 46 -7.058 9.478 2.473 1.00 0.00 H new ATOM 0 HA LYS A 46 -9.525 11.008 2.016 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -6.849 12.147 2.719 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -8.453 12.754 3.077 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -8.838 10.802 4.610 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -7.219 10.224 4.267 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -6.835 11.428 6.233 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -6.475 12.653 5.032 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -7.925 13.799 6.498 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -9.011 13.296 5.219 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -10.124 12.616 7.085 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -9.287 11.192 6.691 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -8.713 12.199 7.932 1.00 0.00 H new ATOM 709 N PRO A 47 -8.649 12.565 0.132 1.00 0.00 N ATOM 710 CA PRO A 47 -8.467 13.196 -1.176 1.00 0.00 C ATOM 711 C PRO A 47 -6.978 13.441 -1.433 1.00 0.00 C ATOM 712 O PRO A 47 -6.265 13.923 -0.555 1.00 0.00 O ATOM 713 CB PRO A 47 -9.197 14.534 -1.038 1.00 0.00 C ATOM 714 CG PRO A 47 -10.209 14.279 0.041 1.00 0.00 C ATOM 715 CD PRO A 47 -9.499 13.374 1.009 1.00 0.00 C ATOM 0 HA PRO A 47 -8.842 12.588 -1.999 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -8.513 15.337 -0.763 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -9.674 14.828 -1.973 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -10.522 15.207 0.520 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -11.107 13.808 -0.359 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -8.912 13.938 1.734 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -10.198 12.759 1.575 1.00 0.00 H new ATOM 723 N GLY A 48 -6.553 13.097 -2.640 1.00 0.00 N ATOM 724 CA GLY A 48 -5.162 13.273 -3.022 1.00 0.00 C ATOM 725 C GLY A 48 -4.408 11.943 -2.973 1.00 0.00 C ATOM 726 O GLY A 48 -3.526 11.695 -3.794 1.00 0.00 O ATOM 0 H GLY A 48 -7.147 12.697 -3.366 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -5.107 13.689 -4.028 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -4.685 13.990 -2.354 1.00 0.00 H new ATOM 730 N VAL A 49 -4.782 11.122 -2.002 1.00 0.00 N ATOM 731 CA VAL A 49 -4.151 9.823 -1.836 1.00 0.00 C ATOM 732 C VAL A 49 -4.787 8.825 -2.805 1.00 0.00 C ATOM 733 O VAL A 49 -5.982 8.900 -3.084 1.00 0.00 O ATOM 734 CB VAL A 49 -4.245 9.380 -0.374 1.00 0.00 C ATOM 735 CG1 VAL A 49 -3.192 8.317 -0.056 1.00 0.00 C ATOM 736 CG2 VAL A 49 -4.119 10.577 0.571 1.00 0.00 C ATOM 0 H VAL A 49 -5.514 11.331 -1.323 1.00 0.00 H new ATOM 0 HA VAL A 49 -3.090 9.879 -2.078 1.00 0.00 H new ATOM 0 HB VAL A 49 -5.228 8.935 -0.221 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -3.280 8.019 0.989 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -3.347 7.448 -0.695 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -2.197 8.725 -0.234 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -4.189 10.234 1.603 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -3.156 11.064 0.415 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -4.922 11.286 0.369 1.00 0.00 H new ATOM 746 N ASN A 50 -3.958 7.912 -3.291 1.00 0.00 N ATOM 747 CA ASN A 50 -4.424 6.899 -4.223 1.00 0.00 C ATOM 748 C ASN A 50 -4.669 5.591 -3.468 1.00 0.00 C ATOM 749 O ASN A 50 -3.909 5.239 -2.568 1.00 0.00 O ATOM 750 CB ASN A 50 -3.382 6.630 -5.310 1.00 0.00 C ATOM 751 CG ASN A 50 -3.391 7.738 -6.365 1.00 0.00 C ATOM 752 OD1 ASN A 50 -4.218 7.770 -7.262 1.00 0.00 O ATOM 753 ND2 ASN A 50 -2.428 8.642 -6.209 1.00 0.00 N ATOM 0 H ASN A 50 -2.967 7.853 -3.057 1.00 0.00 H new ATOM 0 HA ASN A 50 -5.342 7.263 -4.685 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -2.392 6.560 -4.860 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -3.586 5.670 -5.784 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -2.349 9.421 -6.862 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -1.768 8.556 -5.436 1.00 0.00 H new ATOM 760 N LEU A 51 -5.732 4.907 -3.864 1.00 0.00 N ATOM 761 CA LEU A 51 -6.086 3.645 -3.236 1.00 0.00 C ATOM 762 C LEU A 51 -6.601 2.677 -4.302 1.00 0.00 C ATOM 763 O LEU A 51 -7.326 3.077 -5.212 1.00 0.00 O ATOM 764 CB LEU A 51 -7.071 3.876 -2.088 1.00 0.00 C ATOM 765 CG LEU A 51 -7.670 2.619 -1.455 1.00 0.00 C ATOM 766 CD1 LEU A 51 -6.572 1.678 -0.957 1.00 0.00 C ATOM 767 CD2 LEU A 51 -8.661 2.981 -0.347 1.00 0.00 C ATOM 0 H LEU A 51 -6.360 5.202 -4.612 1.00 0.00 H new ATOM 0 HA LEU A 51 -5.207 3.184 -2.784 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -6.563 4.444 -1.309 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -7.887 4.498 -2.456 1.00 0.00 H new ATOM 0 HG LEU A 51 -8.228 2.084 -2.223 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -7.026 0.793 -0.512 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -5.941 1.380 -1.794 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -5.966 2.190 -0.210 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -9.072 2.069 0.086 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -8.148 3.551 0.428 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -9.470 3.581 -0.764 1.00 0.00 H new ATOM 779 N ASN A 52 -6.206 1.420 -4.155 1.00 0.00 N ATOM 780 CA ASN A 52 -6.619 0.391 -5.094 1.00 0.00 C ATOM 781 C ASN A 52 -6.970 -0.884 -4.325 1.00 0.00 C ATOM 782 O ASN A 52 -6.117 -1.463 -3.654 1.00 0.00 O ATOM 783 CB ASN A 52 -5.493 0.057 -6.075 1.00 0.00 C ATOM 784 CG ASN A 52 -5.779 -1.252 -6.812 1.00 0.00 C ATOM 785 OD1 ASN A 52 -5.293 -2.314 -6.456 1.00 0.00 O ATOM 786 ND2 ASN A 52 -6.592 -1.119 -7.856 1.00 0.00 N ATOM 0 H ASN A 52 -5.604 1.091 -3.400 1.00 0.00 H new ATOM 0 HA ASN A 52 -7.480 0.765 -5.647 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -5.381 0.867 -6.795 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -4.549 -0.023 -5.537 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -6.844 -1.935 -8.413 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -6.964 -0.201 -8.099 1.00 0.00 H new ATOM 793 N CYS A 53 -8.227 -1.284 -4.447 1.00 0.00 N ATOM 794 CA CYS A 53 -8.701 -2.480 -3.772 1.00 0.00 C ATOM 795 C CYS A 53 -8.963 -3.556 -4.828 1.00 0.00 C ATOM 796 O CYS A 53 -9.387 -3.248 -5.941 1.00 0.00 O ATOM 797 CB CYS A 53 -9.944 -2.196 -2.926 1.00 0.00 C ATOM 798 SG CYS A 53 -9.727 -0.899 -1.654 1.00 0.00 S ATOM 0 H CYS A 53 -8.932 -0.801 -5.004 1.00 0.00 H new ATOM 0 HA CYS A 53 -7.941 -2.834 -3.076 1.00 0.00 H new ATOM 0 HB2 CYS A 53 -10.758 -1.902 -3.589 1.00 0.00 H new ATOM 0 HB3 CYS A 53 -10.250 -3.119 -2.435 1.00 0.00 H new ATOM 803 N CYS A 54 -8.699 -4.795 -4.441 1.00 0.00 N ATOM 804 CA CYS A 54 -8.900 -5.919 -5.340 1.00 0.00 C ATOM 805 C CYS A 54 -9.165 -7.168 -4.497 1.00 0.00 C ATOM 806 O CYS A 54 -8.886 -7.183 -3.299 1.00 0.00 O ATOM 807 CB CYS A 54 -7.711 -6.108 -6.284 1.00 0.00 C ATOM 808 SG CYS A 54 -6.074 -5.791 -5.529 1.00 0.00 S ATOM 0 H CYS A 54 -8.348 -5.046 -3.517 1.00 0.00 H new ATOM 0 HA CYS A 54 -9.761 -5.726 -5.981 1.00 0.00 H new ATOM 0 HB2 CYS A 54 -7.728 -7.128 -6.667 1.00 0.00 H new ATOM 0 HB3 CYS A 54 -7.835 -5.445 -7.140 1.00 0.00 H new ATOM 813 N ARG A 55 -9.700 -8.185 -5.156 1.00 0.00 N ATOM 814 CA ARG A 55 -10.006 -9.435 -4.482 1.00 0.00 C ATOM 815 C ARG A 55 -9.089 -10.550 -4.990 1.00 0.00 C ATOM 816 O ARG A 55 -9.550 -11.650 -5.289 1.00 0.00 O ATOM 817 CB ARG A 55 -11.463 -9.841 -4.708 1.00 0.00 C ATOM 818 CG ARG A 55 -12.420 -8.802 -4.119 1.00 0.00 C ATOM 819 CD ARG A 55 -13.720 -8.736 -4.923 1.00 0.00 C ATOM 820 NE ARG A 55 -14.186 -10.103 -5.245 1.00 0.00 N ATOM 821 CZ ARG A 55 -15.300 -10.374 -5.939 1.00 0.00 C ATOM 822 NH1 ARG A 55 -16.069 -9.372 -6.388 1.00 0.00 N ATOM 823 NH2 ARG A 55 -15.644 -11.645 -6.185 1.00 0.00 N ATOM 0 H ARG A 55 -9.929 -8.169 -6.150 1.00 0.00 H new ATOM 0 HA ARG A 55 -9.844 -9.284 -3.415 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -11.652 -9.951 -5.776 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -11.649 -10.813 -4.250 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -12.642 -9.054 -3.082 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -11.941 -7.823 -4.114 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -14.484 -8.208 -4.352 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -13.561 -8.171 -5.842 1.00 0.00 H new ATOM 0 HE ARG A 55 -13.624 -10.889 -4.918 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -15.806 -8.404 -6.201 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -16.917 -9.577 -6.916 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -15.058 -12.407 -5.844 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -16.492 -11.851 -6.713 1.00 0.00 H new ATOM 837 N THR A 56 -7.806 -10.226 -5.072 1.00 0.00 N ATOM 838 CA THR A 56 -6.820 -11.186 -5.538 1.00 0.00 C ATOM 839 C THR A 56 -5.603 -11.193 -4.611 1.00 0.00 C ATOM 840 O THR A 56 -5.211 -10.152 -4.087 1.00 0.00 O ATOM 841 CB THR A 56 -6.477 -10.843 -6.989 1.00 0.00 C ATOM 842 OG1 THR A 56 -6.553 -9.421 -7.038 1.00 0.00 O ATOM 843 CG2 THR A 56 -7.554 -11.308 -7.971 1.00 0.00 C ATOM 0 H THR A 56 -7.427 -9.312 -4.823 1.00 0.00 H new ATOM 0 HA THR A 56 -7.214 -12.202 -5.513 1.00 0.00 H new ATOM 0 HB THR A 56 -5.523 -11.300 -7.253 1.00 0.00 H new ATOM 0 HG1 THR A 56 -6.343 -9.113 -7.944 1.00 0.00 H new ATOM 0 HG21 THR A 56 -7.261 -11.040 -8.986 1.00 0.00 H new ATOM 0 HG22 THR A 56 -7.668 -12.390 -7.900 1.00 0.00 H new ATOM 0 HG23 THR A 56 -8.501 -10.826 -7.727 1.00 0.00 H new ATOM 851 N ASP A 57 -5.041 -12.380 -4.436 1.00 0.00 N ATOM 852 CA ASP A 57 -3.876 -12.537 -3.581 1.00 0.00 C ATOM 853 C ASP A 57 -2.723 -11.699 -4.138 1.00 0.00 C ATOM 854 O ASP A 57 -2.528 -11.634 -5.350 1.00 0.00 O ATOM 855 CB ASP A 57 -3.420 -13.997 -3.534 1.00 0.00 C ATOM 856 CG ASP A 57 -4.456 -14.980 -2.986 1.00 0.00 C ATOM 857 OD1 ASP A 57 -4.568 -15.053 -1.743 1.00 0.00 O ATOM 858 OD2 ASP A 57 -5.113 -15.638 -3.822 1.00 0.00 O ATOM 0 H ASP A 57 -5.370 -13.242 -4.871 1.00 0.00 H new ATOM 0 HA ASP A 57 -4.148 -12.212 -2.577 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -3.143 -14.308 -4.541 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -2.520 -14.062 -2.922 1.00 0.00 H new ATOM 863 N ARG A 58 -1.989 -11.080 -3.225 1.00 0.00 N ATOM 864 CA ARG A 58 -0.861 -10.249 -3.609 1.00 0.00 C ATOM 865 C ARG A 58 -1.212 -9.415 -4.843 1.00 0.00 C ATOM 866 O ARG A 58 -0.373 -9.212 -5.719 1.00 0.00 O ATOM 867 CB ARG A 58 0.373 -11.102 -3.913 1.00 0.00 C ATOM 868 CG ARG A 58 0.491 -12.266 -2.928 1.00 0.00 C ATOM 869 CD ARG A 58 1.920 -12.811 -2.892 1.00 0.00 C ATOM 870 NE ARG A 58 2.132 -13.593 -1.653 1.00 0.00 N ATOM 871 CZ ARG A 58 3.312 -14.110 -1.284 1.00 0.00 C ATOM 872 NH1 ARG A 58 4.393 -13.930 -2.056 1.00 0.00 N ATOM 873 NH2 ARG A 58 3.412 -14.805 -0.143 1.00 0.00 N ATOM 0 H ARG A 58 -2.154 -11.137 -2.220 1.00 0.00 H new ATOM 0 HA ARG A 58 -0.635 -9.589 -2.772 1.00 0.00 H new ATOM 0 HB2 ARG A 58 0.311 -11.487 -4.931 1.00 0.00 H new ATOM 0 HB3 ARG A 58 1.269 -10.484 -3.860 1.00 0.00 H new ATOM 0 HG2 ARG A 58 0.199 -11.935 -1.931 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -0.198 -13.061 -3.214 1.00 0.00 H new ATOM 0 HD2 ARG A 58 2.100 -13.440 -3.764 1.00 0.00 H new ATOM 0 HD3 ARG A 58 2.633 -11.988 -2.939 1.00 0.00 H new ATOM 0 HE ARG A 58 1.330 -13.748 -1.042 1.00 0.00 H new ATOM 0 HH11 ARG A 58 4.317 -13.400 -2.924 1.00 0.00 H new ATOM 0 HH12 ARG A 58 5.291 -14.323 -1.775 1.00 0.00 H new ATOM 0 HH21 ARG A 58 2.590 -14.941 0.445 1.00 0.00 H new ATOM 0 HH22 ARG A 58 4.310 -15.198 0.137 1.00 0.00 H new ATOM 887 N CYS A 59 -2.454 -8.954 -4.872 1.00 0.00 N ATOM 888 CA CYS A 59 -2.926 -8.146 -5.983 1.00 0.00 C ATOM 889 C CYS A 59 -2.566 -6.686 -5.703 1.00 0.00 C ATOM 890 O CYS A 59 -2.459 -5.881 -6.627 1.00 0.00 O ATOM 891 CB CYS A 59 -4.427 -8.328 -6.218 1.00 0.00 C ATOM 892 SG CYS A 59 -5.500 -7.593 -4.930 1.00 0.00 S ATOM 0 H CYS A 59 -3.148 -9.125 -4.144 1.00 0.00 H new ATOM 0 HA CYS A 59 -2.439 -8.469 -6.903 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -4.686 -7.888 -7.181 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -4.643 -9.394 -6.286 1.00 0.00 H new ATOM 897 N ASN A 60 -2.389 -6.388 -4.424 1.00 0.00 N ATOM 898 CA ASN A 60 -2.043 -5.038 -4.011 1.00 0.00 C ATOM 899 C ASN A 60 -0.525 -4.931 -3.855 1.00 0.00 C ATOM 900 O ASN A 60 -0.035 -4.433 -2.842 1.00 0.00 O ATOM 901 CB ASN A 60 -2.682 -4.694 -2.665 1.00 0.00 C ATOM 902 CG ASN A 60 -2.064 -5.522 -1.536 1.00 0.00 C ATOM 903 OD1 ASN A 60 -1.765 -6.695 -1.684 1.00 0.00 O ATOM 904 ND2 ASN A 60 -1.890 -4.847 -0.403 1.00 0.00 N ATOM 0 H ASN A 60 -2.479 -7.058 -3.660 1.00 0.00 H new ATOM 0 HA ASN A 60 -2.409 -4.348 -4.771 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -2.550 -3.632 -2.456 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -3.755 -4.878 -2.710 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -1.484 -5.311 0.410 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -2.163 -3.866 -0.347 1.00 0.00 H new ATOM 911 N ASN A 61 0.178 -5.406 -4.873 1.00 0.00 N ATOM 912 CA ASN A 61 1.630 -5.370 -4.861 1.00 0.00 C ATOM 913 C ASN A 61 2.100 -3.914 -4.875 1.00 0.00 C ATOM 914 O ASN A 61 1.603 -3.166 -5.745 1.00 0.00 O ATOM 915 CB ASN A 61 2.208 -6.065 -6.096 1.00 0.00 C ATOM 916 CG ASN A 61 1.505 -7.399 -6.354 1.00 0.00 C ATOM 917 OD1 ASN A 61 1.897 -8.443 -5.858 1.00 0.00 O ATOM 918 ND2 ASN A 61 0.448 -7.307 -7.155 1.00 0.00 N ATOM 919 OXT ASN A 61 2.945 -3.582 -4.016 1.00 0.00 O ATOM 0 H ASN A 61 -0.232 -5.818 -5.712 1.00 0.00 H new ATOM 0 HA ASN A 61 1.973 -5.885 -3.963 1.00 0.00 H new ATOM 0 HB2 ASN A 61 2.099 -5.418 -6.966 1.00 0.00 H new ATOM 0 HB3 ASN A 61 3.276 -6.234 -5.956 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -0.089 -8.142 -7.388 1.00 0.00 H new ATOM 0 HD22 ASN A 61 0.174 -6.401 -7.536 1.00 0.00 H new