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 29 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 34 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 21 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 22 ASN : amide:sc= -4.22! C(o=-4.2!,f=-7.9!) USER MOD Set 3.1: A 5 ASN : amide:sc= -3.3! C(o=-3.2!,f=-4.2!) USER MOD Set 3.2: A 13 THR OG1 : rot 141:sc= 0.133 USER MOD Set 4.1: A 7 GLN : amide:sc= -5.25 K(o=-5.2,f=-13!) USER MOD Set 4.2: A 8 SER OG : rot 180:sc= 0 USER MOD Set 5.1: A 4 HIS : no HE2:sc= -6.23! C(o=-14!,f=-18!) USER MOD Set 5.2: A 6 GLN : amide:sc= -2.93! C(o=-14!,f=-15!) USER MOD Set 5.3: A 61 ASN : amide:sc= -5.2! C(o=-14!,f=-14!) USER MOD Single : A 1 LEU N :NH3+ 138:sc= 0.0176 (180deg=0) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 10 GLN :FLIP amide:sc= -0.414 F(o=-1.5,f=-0.41) 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= 0.00244 USER MOD Single : A 18 SER OG : rot 8:sc= 0.79! USER MOD Single : A 24 TYR OH : rot 150:sc= -0.161 USER MOD Single : A 25 LYS NZ :NH3+ 141:sc= -2.29 (180deg=-4.98!) USER MOD Single : A 26 LYS NZ :NH3+ -126:sc= -2.8! (180deg=-5.32!) USER MOD Single : A 31 HIS : no HD1:sc= -0.534 X(o=-0.53,f=-0.042) USER MOD Single : A 44 LYS NZ :NH3+ 161:sc= -0.0209 (180deg=-0.368) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 52 ASN : amide:sc= -0.892 X(o=-0.89,f=-1.4!) USER MOD Single : A 56 THR OG1 : rot 180:sc= -4.6! USER MOD Single : A 60 ASN : amide:sc= -2.71! C(o=-2.7!,f=-19!) USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 -6.230 -15.243 2.126 1.00 0.00 N ATOM 2 CA LEU A 1 -5.847 -14.253 1.134 1.00 0.00 C ATOM 3 C LEU A 1 -4.665 -13.438 1.663 1.00 0.00 C ATOM 4 O LEU A 1 -4.667 -13.011 2.816 1.00 0.00 O ATOM 5 CB LEU A 1 -7.053 -13.399 0.735 1.00 0.00 C ATOM 6 CG LEU A 1 -6.754 -12.189 -0.152 1.00 0.00 C ATOM 7 CD1 LEU A 1 -6.584 -12.609 -1.614 1.00 0.00 C ATOM 8 CD2 LEU A 1 -7.825 -11.110 0.013 1.00 0.00 C ATOM 0 H1 LEU A 1 -7.267 -15.287 2.190 1.00 0.00 H new ATOM 0 H2 LEU A 1 -5.861 -16.174 1.848 1.00 0.00 H new ATOM 0 H3 LEU A 1 -5.837 -14.977 3.051 1.00 0.00 H new ATOM 0 HA LEU A 1 -5.514 -14.741 0.218 1.00 0.00 H new ATOM 0 HB2 LEU A 1 -7.769 -14.037 0.216 1.00 0.00 H new ATOM 0 HB3 LEU A 1 -7.540 -13.047 1.644 1.00 0.00 H new ATOM 0 HG LEU A 1 -5.808 -11.755 0.171 1.00 0.00 H new ATOM 0 HD11 LEU A 1 -6.372 -11.730 -2.223 1.00 0.00 H new ATOM 0 HD12 LEU A 1 -5.757 -13.315 -1.696 1.00 0.00 H new ATOM 0 HD13 LEU A 1 -7.501 -13.082 -1.966 1.00 0.00 H new ATOM 0 HD21 LEU A 1 -7.588 -10.261 -0.629 1.00 0.00 H new ATOM 0 HD22 LEU A 1 -8.797 -11.516 -0.267 1.00 0.00 H new ATOM 0 HD23 LEU A 1 -7.854 -10.782 1.052 1.00 0.00 H new ATOM 22 N GLU A 2 -3.683 -13.246 0.793 1.00 0.00 N ATOM 23 CA GLU A 2 -2.498 -12.490 1.159 1.00 0.00 C ATOM 24 C GLU A 2 -2.491 -11.136 0.445 1.00 0.00 C ATOM 25 O GLU A 2 -2.942 -11.029 -0.694 1.00 0.00 O ATOM 26 CB GLU A 2 -1.225 -13.280 0.847 1.00 0.00 C ATOM 27 CG GLU A 2 -1.362 -14.738 1.293 1.00 0.00 C ATOM 28 CD GLU A 2 0.002 -15.334 1.643 1.00 0.00 C ATOM 29 OE1 GLU A 2 0.963 -14.540 1.731 1.00 0.00 O ATOM 30 OE2 GLU A 2 0.054 -16.571 1.816 1.00 0.00 O ATOM 0 H GLU A 2 -3.685 -13.601 -0.163 1.00 0.00 H new ATOM 0 HA GLU A 2 -2.522 -12.313 2.234 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -1.021 -13.241 -0.223 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -0.375 -12.820 1.350 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -2.022 -14.797 2.159 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -1.826 -15.323 0.499 1.00 0.00 H new ATOM 37 N CYS A 3 -1.973 -10.137 1.145 1.00 0.00 N ATOM 38 CA CYS A 3 -1.902 -8.795 0.593 1.00 0.00 C ATOM 39 C CYS A 3 -0.537 -8.202 0.948 1.00 0.00 C ATOM 40 O CYS A 3 -0.064 -8.352 2.073 1.00 0.00 O ATOM 41 CB CYS A 3 -3.052 -7.917 1.089 1.00 0.00 C ATOM 42 SG CYS A 3 -4.700 -8.712 1.044 1.00 0.00 S ATOM 0 H CYS A 3 -1.599 -10.230 2.089 1.00 0.00 H new ATOM 0 HA CYS A 3 -2.008 -8.839 -0.491 1.00 0.00 H new ATOM 0 HB2 CYS A 3 -2.840 -7.610 2.113 1.00 0.00 H new ATOM 0 HB3 CYS A 3 -3.085 -7.010 0.485 1.00 0.00 H new ATOM 47 N HIS A 4 0.058 -7.540 -0.034 1.00 0.00 N ATOM 48 CA HIS A 4 1.359 -6.923 0.161 1.00 0.00 C ATOM 49 C HIS A 4 1.259 -5.842 1.238 1.00 0.00 C ATOM 50 O HIS A 4 0.322 -5.046 1.239 1.00 0.00 O ATOM 51 CB HIS A 4 1.912 -6.391 -1.163 1.00 0.00 C ATOM 52 CG HIS A 4 2.604 -7.437 -2.004 1.00 0.00 C ATOM 53 ND1 HIS A 4 3.958 -7.706 -1.903 1.00 0.00 N ATOM 54 CD2 HIS A 4 2.115 -8.278 -2.961 1.00 0.00 C ATOM 55 CE1 HIS A 4 4.259 -8.665 -2.765 1.00 0.00 C ATOM 56 NE2 HIS A 4 3.116 -9.019 -3.420 1.00 0.00 N ATOM 0 H HIS A 4 -0.337 -7.418 -0.966 1.00 0.00 H new ATOM 0 HA HIS A 4 2.071 -7.671 0.511 1.00 0.00 H new ATOM 0 HB2 HIS A 4 1.094 -5.959 -1.739 1.00 0.00 H new ATOM 0 HB3 HIS A 4 2.615 -5.585 -0.954 1.00 0.00 H new ATOM 0 HD1 HIS A 4 4.613 -7.244 -1.272 1.00 0.00 H new ATOM 0 HD2 HIS A 4 1.088 -8.332 -3.289 1.00 0.00 H new ATOM 0 HE1 HIS A 4 5.238 -9.092 -2.922 1.00 0.00 H new ATOM 65 N ASN A 5 2.238 -5.849 2.131 1.00 0.00 N ATOM 66 CA ASN A 5 2.272 -4.878 3.212 1.00 0.00 C ATOM 67 C ASN A 5 3.511 -3.994 3.059 1.00 0.00 C ATOM 68 O ASN A 5 3.882 -3.274 3.985 1.00 0.00 O ATOM 69 CB ASN A 5 2.352 -5.573 4.573 1.00 0.00 C ATOM 70 CG ASN A 5 3.775 -6.055 4.860 1.00 0.00 C ATOM 71 OD1 ASN A 5 4.719 -5.285 4.920 1.00 0.00 O ATOM 72 ND2 ASN A 5 3.876 -7.370 5.032 1.00 0.00 N ATOM 0 H ASN A 5 3.014 -6.512 2.128 1.00 0.00 H new ATOM 0 HA ASN A 5 1.359 -4.285 3.162 1.00 0.00 H new ATOM 0 HB2 ASN A 5 2.032 -4.885 5.356 1.00 0.00 H new ATOM 0 HB3 ASN A 5 1.666 -6.420 4.594 1.00 0.00 H new ATOM 0 HD21 ASN A 5 4.785 -7.790 5.227 1.00 0.00 H new ATOM 0 HD22 ASN A 5 3.045 -7.958 4.969 1.00 0.00 H new ATOM 79 N GLN A 6 4.117 -4.077 1.884 1.00 0.00 N ATOM 80 CA GLN A 6 5.306 -3.293 1.597 1.00 0.00 C ATOM 81 C GLN A 6 4.931 -1.830 1.352 1.00 0.00 C ATOM 82 O GLN A 6 4.010 -1.541 0.590 1.00 0.00 O ATOM 83 CB GLN A 6 6.070 -3.871 0.404 1.00 0.00 C ATOM 84 CG GLN A 6 5.112 -4.256 -0.725 1.00 0.00 C ATOM 85 CD GLN A 6 5.774 -4.072 -2.092 1.00 0.00 C ATOM 86 OE1 GLN A 6 6.329 -3.032 -2.407 1.00 0.00 O ATOM 87 NE2 GLN A 6 5.685 -5.137 -2.884 1.00 0.00 N ATOM 0 H GLN A 6 3.806 -4.676 1.119 1.00 0.00 H new ATOM 0 HA GLN A 6 5.965 -3.338 2.464 1.00 0.00 H new ATOM 0 HB2 GLN A 6 6.791 -3.139 0.040 1.00 0.00 H new ATOM 0 HB3 GLN A 6 6.636 -4.747 0.720 1.00 0.00 H new ATOM 0 HG2 GLN A 6 4.800 -5.294 -0.604 1.00 0.00 H new ATOM 0 HG3 GLN A 6 4.212 -3.644 -0.668 1.00 0.00 H new ATOM 0 HE21 GLN A 6 5.206 -5.976 -2.558 1.00 0.00 H new ATOM 0 HE22 GLN A 6 6.096 -5.114 -3.817 1.00 0.00 H new ATOM 96 N GLN A 7 5.665 -0.946 2.012 1.00 0.00 N ATOM 97 CA GLN A 7 5.421 0.480 1.875 1.00 0.00 C ATOM 98 C GLN A 7 6.547 1.137 1.075 1.00 0.00 C ATOM 99 O GLN A 7 7.669 0.634 1.048 1.00 0.00 O ATOM 100 CB GLN A 7 5.262 1.143 3.245 1.00 0.00 C ATOM 101 CG GLN A 7 6.072 0.402 4.310 1.00 0.00 C ATOM 102 CD GLN A 7 7.573 0.505 4.029 1.00 0.00 C ATOM 103 OE1 GLN A 7 8.253 -0.476 3.779 1.00 0.00 O ATOM 104 NE2 GLN A 7 8.049 1.746 4.083 1.00 0.00 N ATOM 0 H GLN A 7 6.429 -1.190 2.643 1.00 0.00 H new ATOM 0 HA GLN A 7 4.487 0.618 1.330 1.00 0.00 H new ATOM 0 HB2 GLN A 7 5.590 2.181 3.191 1.00 0.00 H new ATOM 0 HB3 GLN A 7 4.209 1.155 3.527 1.00 0.00 H new ATOM 0 HG2 GLN A 7 5.853 0.818 5.293 1.00 0.00 H new ATOM 0 HG3 GLN A 7 5.774 -0.646 4.334 1.00 0.00 H new ATOM 0 HE21 GLN A 7 7.424 2.523 4.298 1.00 0.00 H new ATOM 0 HE22 GLN A 7 9.039 1.921 3.909 1.00 0.00 H new ATOM 113 N SER A 8 6.209 2.251 0.443 1.00 0.00 N ATOM 114 CA SER A 8 7.178 2.982 -0.356 1.00 0.00 C ATOM 115 C SER A 8 7.806 2.053 -1.397 1.00 0.00 C ATOM 116 O SER A 8 7.100 1.312 -2.078 1.00 0.00 O ATOM 117 CB SER A 8 8.264 3.601 0.527 1.00 0.00 C ATOM 118 OG SER A 8 7.716 4.256 1.668 1.00 0.00 O ATOM 0 H SER A 8 5.277 2.666 0.468 1.00 0.00 H new ATOM 0 HA SER A 8 6.658 3.792 -0.868 1.00 0.00 H new ATOM 0 HB2 SER A 8 8.954 2.822 0.853 1.00 0.00 H new ATOM 0 HB3 SER A 8 8.843 4.316 -0.058 1.00 0.00 H new ATOM 0 HG SER A 8 8.441 4.636 2.207 1.00 0.00 H new ATOM 124 N SER A 9 9.126 2.123 -1.487 1.00 0.00 N ATOM 125 CA SER A 9 9.857 1.298 -2.433 1.00 0.00 C ATOM 126 C SER A 9 10.513 0.123 -1.705 1.00 0.00 C ATOM 127 O SER A 9 11.150 -0.722 -2.331 1.00 0.00 O ATOM 128 CB SER A 9 10.912 2.117 -3.178 1.00 0.00 C ATOM 129 OG SER A 9 10.413 3.388 -3.584 1.00 0.00 O ATOM 0 H SER A 9 9.708 2.739 -0.920 1.00 0.00 H new ATOM 0 HA SER A 9 9.150 0.913 -3.168 1.00 0.00 H new ATOM 0 HB2 SER A 9 11.782 2.257 -2.536 1.00 0.00 H new ATOM 0 HB3 SER A 9 11.249 1.563 -4.054 1.00 0.00 H new ATOM 0 HG SER A 9 11.117 3.881 -4.055 1.00 0.00 H new ATOM 135 N GLN A 10 10.333 0.107 -0.392 1.00 0.00 N ATOM 136 CA GLN A 10 10.900 -0.950 0.428 1.00 0.00 C ATOM 137 C GLN A 10 10.669 -2.313 -0.229 1.00 0.00 C ATOM 138 O GLN A 10 9.917 -2.420 -1.197 1.00 0.00 O ATOM 139 CB GLN A 10 10.319 -0.918 1.842 1.00 0.00 C ATOM 140 CG GLN A 10 10.365 0.497 2.422 1.00 0.00 C ATOM 141 CD GLN A 10 11.713 1.162 2.137 1.00 0.00 C ATOM 142 OE1 GLN A 10 11.670 2.082 1.178 1.00 0.00 O flip ATOM 143 NE2 GLN A 10 12.725 0.860 2.747 1.00 0.00 N flip ATOM 0 H GLN A 10 9.803 0.809 0.124 1.00 0.00 H new ATOM 0 HA GLN A 10 11.974 -0.784 0.508 1.00 0.00 H new ATOM 0 HB2 GLN A 10 9.289 -1.274 1.824 1.00 0.00 H new ATOM 0 HB3 GLN A 10 10.880 -1.597 2.485 1.00 0.00 H new ATOM 0 HG2 GLN A 10 9.562 1.096 1.993 1.00 0.00 H new ATOM 0 HG3 GLN A 10 10.194 0.459 3.498 1.00 0.00 H new ATOM 0 HE21 GLN A 10 12.689 0.144 3.473 1.00 0.00 H new ATOM 0 HE22 GLN A 10 13.608 1.323 2.532 1.00 0.00 H new ATOM 152 N PRO A 11 11.330 -3.320 0.323 1.00 0.00 N ATOM 153 CA PRO A 11 11.260 -4.707 -0.140 1.00 0.00 C ATOM 154 C PRO A 11 9.814 -5.202 -0.081 1.00 0.00 C ATOM 155 O PRO A 11 9.115 -4.968 0.904 1.00 0.00 O ATOM 156 CB PRO A 11 12.114 -5.471 0.873 1.00 0.00 C ATOM 157 CG PRO A 11 13.055 -4.430 1.405 1.00 0.00 C ATOM 158 CD PRO A 11 12.224 -3.180 1.475 1.00 0.00 C ATOM 0 HA PRO A 11 11.603 -4.833 -1.167 1.00 0.00 H new ATOM 0 HB2 PRO A 11 11.504 -5.902 1.667 1.00 0.00 H new ATOM 0 HB3 PRO A 11 12.652 -6.294 0.403 1.00 0.00 H new ATOM 0 HG2 PRO A 11 13.441 -4.707 2.386 1.00 0.00 H new ATOM 0 HG3 PRO A 11 13.916 -4.299 0.749 1.00 0.00 H new ATOM 0 HD2 PRO A 11 11.670 -3.115 2.411 1.00 0.00 H new ATOM 0 HD3 PRO A 11 12.838 -2.282 1.404 1.00 0.00 H new ATOM 166 N PRO A 12 9.408 -5.877 -1.146 1.00 0.00 N ATOM 167 CA PRO A 12 8.066 -6.442 -1.304 1.00 0.00 C ATOM 168 C PRO A 12 7.781 -7.430 -0.171 1.00 0.00 C ATOM 169 O PRO A 12 8.565 -8.347 0.068 1.00 0.00 O ATOM 170 CB PRO A 12 8.142 -7.188 -2.638 1.00 0.00 C ATOM 171 CG PRO A 12 9.243 -6.487 -3.378 1.00 0.00 C ATOM 172 CD PRO A 12 10.249 -6.151 -2.314 1.00 0.00 C ATOM 0 HA PRO A 12 7.279 -5.688 -1.280 1.00 0.00 H new ATOM 0 HB2 PRO A 12 8.367 -8.245 -2.493 1.00 0.00 H new ATOM 0 HB3 PRO A 12 7.198 -7.135 -3.181 1.00 0.00 H new ATOM 0 HG2 PRO A 12 9.676 -7.127 -4.147 1.00 0.00 H new ATOM 0 HG3 PRO A 12 8.878 -5.590 -3.878 1.00 0.00 H new ATOM 0 HD2 PRO A 12 10.937 -6.977 -2.132 1.00 0.00 H new ATOM 0 HD3 PRO A 12 10.854 -5.287 -2.588 1.00 0.00 H new ATOM 180 N THR A 13 6.658 -7.210 0.496 1.00 0.00 N ATOM 181 CA THR A 13 6.262 -8.070 1.598 1.00 0.00 C ATOM 182 C THR A 13 4.793 -8.476 1.457 1.00 0.00 C ATOM 183 O THR A 13 4.092 -7.982 0.575 1.00 0.00 O ATOM 184 CB THR A 13 6.566 -7.335 2.905 1.00 0.00 C ATOM 185 OG1 THR A 13 6.239 -5.977 2.623 1.00 0.00 O ATOM 186 CG2 THR A 13 8.062 -7.301 3.223 1.00 0.00 C ATOM 0 H THR A 13 6.010 -6.449 0.295 1.00 0.00 H new ATOM 0 HA THR A 13 6.826 -9.002 1.594 1.00 0.00 H new ATOM 0 HB THR A 13 6.032 -7.816 3.725 1.00 0.00 H new ATOM 0 HG1 THR A 13 5.812 -5.574 3.408 1.00 0.00 H new ATOM 0 HG21 THR A 13 8.223 -6.768 4.160 1.00 0.00 H new ATOM 0 HG22 THR A 13 8.437 -8.320 3.316 1.00 0.00 H new ATOM 0 HG23 THR A 13 8.593 -6.791 2.420 1.00 0.00 H new ATOM 194 N THR A 14 4.372 -9.370 2.338 1.00 0.00 N ATOM 195 CA THR A 14 3.000 -9.848 2.323 1.00 0.00 C ATOM 196 C THR A 14 2.513 -10.120 3.747 1.00 0.00 C ATOM 197 O THR A 14 3.319 -10.321 4.655 1.00 0.00 O ATOM 198 CB THR A 14 2.937 -11.077 1.414 1.00 0.00 C ATOM 199 OG1 THR A 14 4.153 -11.770 1.683 1.00 0.00 O ATOM 200 CG2 THR A 14 3.035 -10.715 -0.069 1.00 0.00 C ATOM 0 H THR A 14 4.957 -9.777 3.068 1.00 0.00 H new ATOM 0 HA THR A 14 2.324 -9.094 1.921 1.00 0.00 H new ATOM 0 HB THR A 14 2.006 -11.615 1.595 1.00 0.00 H new ATOM 0 HG1 THR A 14 4.194 -12.582 1.136 1.00 0.00 H new ATOM 0 HG21 THR A 14 2.985 -11.623 -0.669 1.00 0.00 H new ATOM 0 HG22 THR A 14 2.209 -10.056 -0.338 1.00 0.00 H new ATOM 0 HG23 THR A 14 3.981 -10.207 -0.258 1.00 0.00 H new ATOM 208 N LYS A 15 1.197 -10.118 3.900 1.00 0.00 N ATOM 209 CA LYS A 15 0.594 -10.362 5.199 1.00 0.00 C ATOM 210 C LYS A 15 -0.766 -11.037 5.006 1.00 0.00 C ATOM 211 O LYS A 15 -1.448 -10.793 4.012 1.00 0.00 O ATOM 212 CB LYS A 15 0.528 -9.067 6.011 1.00 0.00 C ATOM 213 CG LYS A 15 0.217 -9.356 7.481 1.00 0.00 C ATOM 214 CD LYS A 15 1.309 -10.223 8.111 1.00 0.00 C ATOM 215 CE LYS A 15 1.257 -10.147 9.638 1.00 0.00 C ATOM 216 NZ LYS A 15 1.799 -11.386 10.238 1.00 0.00 N ATOM 0 H LYS A 15 0.531 -9.951 3.145 1.00 0.00 H new ATOM 0 HA LYS A 15 1.210 -11.046 5.783 1.00 0.00 H new ATOM 0 HB2 LYS A 15 1.477 -8.537 5.934 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -0.238 -8.412 5.596 1.00 0.00 H new ATOM 0 HG2 LYS A 15 0.130 -8.418 8.030 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -0.745 -9.862 7.560 1.00 0.00 H new ATOM 0 HD2 LYS A 15 1.187 -11.258 7.791 1.00 0.00 H new ATOM 0 HD3 LYS A 15 2.287 -9.894 7.760 1.00 0.00 H new ATOM 0 HE2 LYS A 15 1.830 -9.287 9.985 1.00 0.00 H new ATOM 0 HE3 LYS A 15 0.228 -9.997 9.966 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 1.756 -11.317 11.275 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 1.235 -12.201 9.921 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 2.787 -11.512 9.940 1.00 0.00 H new ATOM 230 N THR A 16 -1.119 -11.871 5.973 1.00 0.00 N ATOM 231 CA THR A 16 -2.384 -12.583 5.922 1.00 0.00 C ATOM 232 C THR A 16 -3.533 -11.658 6.326 1.00 0.00 C ATOM 233 O THR A 16 -3.476 -11.010 7.370 1.00 0.00 O ATOM 234 CB THR A 16 -2.264 -13.825 6.808 1.00 0.00 C ATOM 235 OG1 THR A 16 -0.956 -14.320 6.536 1.00 0.00 O ATOM 236 CG2 THR A 16 -3.192 -14.956 6.359 1.00 0.00 C ATOM 0 H THR A 16 -0.551 -12.069 6.796 1.00 0.00 H new ATOM 0 HA THR A 16 -2.613 -12.910 4.908 1.00 0.00 H new ATOM 0 HB THR A 16 -2.490 -13.558 7.840 1.00 0.00 H new ATOM 0 HG1 THR A 16 -0.793 -15.125 7.071 1.00 0.00 H new ATOM 0 HG21 THR A 16 -3.068 -15.813 7.021 1.00 0.00 H new ATOM 0 HG22 THR A 16 -4.227 -14.615 6.398 1.00 0.00 H new ATOM 0 HG23 THR A 16 -2.944 -15.247 5.338 1.00 0.00 H new ATOM 244 N CYS A 17 -4.551 -11.625 5.478 1.00 0.00 N ATOM 245 CA CYS A 17 -5.711 -10.789 5.734 1.00 0.00 C ATOM 246 C CYS A 17 -6.635 -11.533 6.700 1.00 0.00 C ATOM 247 O CYS A 17 -7.076 -12.644 6.412 1.00 0.00 O ATOM 248 CB CYS A 17 -6.430 -10.407 4.438 1.00 0.00 C ATOM 249 SG CYS A 17 -5.324 -10.012 3.035 1.00 0.00 S ATOM 0 H CYS A 17 -4.596 -12.164 4.613 1.00 0.00 H new ATOM 0 HA CYS A 17 -5.393 -9.850 6.187 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -7.084 -11.228 4.146 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -7.068 -9.545 4.633 1.00 0.00 H new ATOM 254 N SER A 18 -6.901 -10.889 7.828 1.00 0.00 N ATOM 255 CA SER A 18 -7.764 -11.476 8.839 1.00 0.00 C ATOM 256 C SER A 18 -9.150 -10.831 8.780 1.00 0.00 C ATOM 257 O SER A 18 -9.293 -9.634 9.023 1.00 0.00 O ATOM 258 CB SER A 18 -7.163 -11.316 10.236 1.00 0.00 C ATOM 259 OG SER A 18 -7.329 -9.993 10.741 1.00 0.00 O ATOM 0 H SER A 18 -6.534 -9.967 8.064 1.00 0.00 H new ATOM 0 HA SER A 18 -7.857 -12.542 8.634 1.00 0.00 H new ATOM 0 HB2 SER A 18 -7.634 -12.025 10.917 1.00 0.00 H new ATOM 0 HB3 SER A 18 -6.101 -11.561 10.204 1.00 0.00 H new ATOM 0 HG SER A 18 -7.903 -9.481 10.134 1.00 0.00 H new ATOM 265 N GLY A 19 -10.137 -11.655 8.458 1.00 0.00 N ATOM 266 CA GLY A 19 -11.507 -11.180 8.364 1.00 0.00 C ATOM 267 C GLY A 19 -11.736 -10.418 7.058 1.00 0.00 C ATOM 268 O GLY A 19 -12.873 -10.103 6.709 1.00 0.00 O ATOM 0 H GLY A 19 -10.015 -12.648 8.259 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -12.193 -12.025 8.421 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -11.729 -10.531 9.211 1.00 0.00 H new ATOM 272 N GLU A 20 -10.637 -10.143 6.370 1.00 0.00 N ATOM 273 CA GLU A 20 -10.704 -9.423 5.110 1.00 0.00 C ATOM 274 C GLU A 20 -10.516 -10.388 3.937 1.00 0.00 C ATOM 275 O GLU A 20 -9.974 -11.479 4.107 1.00 0.00 O ATOM 276 CB GLU A 20 -9.667 -8.298 5.065 1.00 0.00 C ATOM 277 CG GLU A 20 -9.558 -7.599 6.422 1.00 0.00 C ATOM 278 CD GLU A 20 -8.493 -6.501 6.389 1.00 0.00 C ATOM 279 OE1 GLU A 20 -7.323 -6.854 6.126 1.00 0.00 O ATOM 280 OE2 GLU A 20 -8.873 -5.335 6.627 1.00 0.00 O ATOM 0 H GLU A 20 -9.696 -10.406 6.662 1.00 0.00 H new ATOM 0 HA GLU A 20 -11.691 -8.967 5.027 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -8.696 -8.705 4.782 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -9.944 -7.573 4.300 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -10.522 -7.168 6.691 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -9.309 -8.329 7.192 1.00 0.00 H new ATOM 287 N THR A 21 -10.975 -9.951 2.774 1.00 0.00 N ATOM 288 CA THR A 21 -10.865 -10.763 1.573 1.00 0.00 C ATOM 289 C THR A 21 -10.458 -9.897 0.380 1.00 0.00 C ATOM 290 O THR A 21 -10.587 -10.316 -0.769 1.00 0.00 O ATOM 291 CB THR A 21 -12.196 -11.490 1.371 1.00 0.00 C ATOM 292 OG1 THR A 21 -13.180 -10.497 1.646 1.00 0.00 O ATOM 293 CG2 THR A 21 -12.444 -12.564 2.432 1.00 0.00 C ATOM 0 H THR A 21 -11.424 -9.045 2.637 1.00 0.00 H new ATOM 0 HA THR A 21 -10.080 -11.513 1.672 1.00 0.00 H new ATOM 0 HB THR A 21 -12.213 -11.947 0.381 1.00 0.00 H new ATOM 0 HG1 THR A 21 -14.074 -10.883 1.537 1.00 0.00 H new ATOM 0 HG21 THR A 21 -13.402 -13.049 2.242 1.00 0.00 H new ATOM 0 HG22 THR A 21 -11.647 -13.306 2.391 1.00 0.00 H new ATOM 0 HG23 THR A 21 -12.460 -12.103 3.420 1.00 0.00 H new ATOM 301 N ASN A 22 -9.975 -8.703 0.693 1.00 0.00 N ATOM 302 CA ASN A 22 -9.548 -7.774 -0.340 1.00 0.00 C ATOM 303 C ASN A 22 -8.201 -7.165 0.054 1.00 0.00 C ATOM 304 O ASN A 22 -7.862 -7.111 1.235 1.00 0.00 O ATOM 305 CB ASN A 22 -10.554 -6.633 -0.504 1.00 0.00 C ATOM 306 CG ASN A 22 -11.928 -7.167 -0.912 1.00 0.00 C ATOM 307 OD1 ASN A 22 -12.277 -7.228 -2.080 1.00 0.00 O ATOM 308 ND2 ASN A 22 -12.685 -7.551 0.111 1.00 0.00 N ATOM 0 H ASN A 22 -9.870 -8.358 1.647 1.00 0.00 H new ATOM 0 HA ASN A 22 -9.471 -8.324 -1.278 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -10.638 -6.080 0.432 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -10.194 -5.932 -1.257 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -13.619 -7.924 -0.058 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -12.331 -7.473 1.065 1.00 0.00 H new ATOM 315 N CYS A 23 -7.470 -6.721 -0.958 1.00 0.00 N ATOM 316 CA CYS A 23 -6.168 -6.118 -0.733 1.00 0.00 C ATOM 317 C CYS A 23 -6.223 -4.665 -1.209 1.00 0.00 C ATOM 318 O CYS A 23 -6.769 -4.376 -2.273 1.00 0.00 O ATOM 319 CB CYS A 23 -5.053 -6.903 -1.426 1.00 0.00 C ATOM 320 SG CYS A 23 -5.018 -8.691 -1.038 1.00 0.00 S ATOM 0 H CYS A 23 -7.755 -6.767 -1.936 1.00 0.00 H new ATOM 0 HA CYS A 23 -5.932 -6.143 0.331 1.00 0.00 H new ATOM 0 HB2 CYS A 23 -5.158 -6.781 -2.504 1.00 0.00 H new ATOM 0 HB3 CYS A 23 -4.094 -6.466 -1.148 1.00 0.00 H new ATOM 325 N TYR A 24 -5.650 -3.787 -0.398 1.00 0.00 N ATOM 326 CA TYR A 24 -5.627 -2.371 -0.723 1.00 0.00 C ATOM 327 C TYR A 24 -4.193 -1.879 -0.928 1.00 0.00 C ATOM 328 O TYR A 24 -3.253 -2.446 -0.374 1.00 0.00 O ATOM 329 CB TYR A 24 -6.232 -1.652 0.484 1.00 0.00 C ATOM 330 CG TYR A 24 -5.260 -1.468 1.651 1.00 0.00 C ATOM 331 CD1 TYR A 24 -4.446 -0.355 1.702 1.00 0.00 C ATOM 332 CD2 TYR A 24 -5.197 -2.415 2.653 1.00 0.00 C ATOM 333 CE1 TYR A 24 -3.530 -0.182 2.800 1.00 0.00 C ATOM 334 CE2 TYR A 24 -4.282 -2.242 3.751 1.00 0.00 C ATOM 335 CZ TYR A 24 -3.494 -1.134 3.770 1.00 0.00 C ATOM 336 OH TYR A 24 -2.629 -0.970 4.808 1.00 0.00 O ATOM 0 H TYR A 24 -5.198 -4.029 0.484 1.00 0.00 H new ATOM 0 HA TYR A 24 -6.178 -2.179 -1.644 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -6.593 -0.673 0.167 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -7.099 -2.214 0.832 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -4.496 0.387 0.918 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -5.834 -3.286 2.613 1.00 0.00 H new ATOM 0 HE1 TYR A 24 -2.887 0.684 2.852 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -4.223 -2.975 4.542 1.00 0.00 H new ATOM 0 HH TYR A 24 -2.999 -1.392 5.612 1.00 0.00 H new ATOM 346 N LYS A 25 -4.071 -0.829 -1.727 1.00 0.00 N ATOM 347 CA LYS A 25 -2.767 -0.255 -2.013 1.00 0.00 C ATOM 348 C LYS A 25 -2.884 1.271 -2.051 1.00 0.00 C ATOM 349 O LYS A 25 -3.596 1.821 -2.890 1.00 0.00 O ATOM 350 CB LYS A 25 -2.184 -0.859 -3.292 1.00 0.00 C ATOM 351 CG LYS A 25 -0.958 -0.072 -3.760 1.00 0.00 C ATOM 352 CD LYS A 25 -0.582 -0.446 -5.196 1.00 0.00 C ATOM 353 CE LYS A 25 -0.749 -1.948 -5.432 1.00 0.00 C ATOM 354 NZ LYS A 25 -2.118 -2.250 -5.906 1.00 0.00 N ATOM 0 H LYS A 25 -4.853 -0.361 -2.185 1.00 0.00 H new ATOM 0 HA LYS A 25 -2.060 -0.502 -1.221 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -1.908 -1.898 -3.115 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -2.941 -0.860 -4.076 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -1.163 0.997 -3.701 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -0.117 -0.273 -3.096 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -1.208 0.108 -5.896 1.00 0.00 H new ATOM 0 HD3 LYS A 25 0.450 -0.156 -5.393 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -0.020 -2.290 -6.167 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -0.550 -2.491 -4.508 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -2.077 -2.991 -6.635 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -2.697 -2.581 -5.108 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -2.543 -1.391 -6.309 1.00 0.00 H new ATOM 368 N LYS A 26 -2.175 1.910 -1.133 1.00 0.00 N ATOM 369 CA LYS A 26 -2.191 3.361 -1.051 1.00 0.00 C ATOM 370 C LYS A 26 -0.837 3.907 -1.510 1.00 0.00 C ATOM 371 O LYS A 26 0.202 3.305 -1.244 1.00 0.00 O ATOM 372 CB LYS A 26 -2.593 3.814 0.353 1.00 0.00 C ATOM 373 CG LYS A 26 -3.529 2.797 1.010 1.00 0.00 C ATOM 374 CD LYS A 26 -3.772 3.145 2.480 1.00 0.00 C ATOM 375 CE LYS A 26 -3.732 4.659 2.699 1.00 0.00 C ATOM 376 NZ LYS A 26 -2.333 5.127 2.826 1.00 0.00 N ATOM 0 H LYS A 26 -1.586 1.450 -0.439 1.00 0.00 H new ATOM 0 HA LYS A 26 -2.946 3.773 -1.721 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -1.701 3.943 0.967 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -3.085 4.785 0.299 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -4.479 2.774 0.476 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -3.097 1.799 0.935 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -4.739 2.754 2.795 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -3.016 2.664 3.101 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -4.217 5.166 1.865 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -4.291 4.917 3.598 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -2.226 5.665 3.710 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -1.693 4.308 2.839 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -2.097 5.738 2.018 1.00 0.00 H new ATOM 390 N TRP A 27 -0.893 5.043 -2.190 1.00 0.00 N ATOM 391 CA TRP A 27 0.315 5.678 -2.688 1.00 0.00 C ATOM 392 C TRP A 27 -0.004 7.147 -2.969 1.00 0.00 C ATOM 393 O TRP A 27 -1.109 7.475 -3.399 1.00 0.00 O ATOM 394 CB TRP A 27 0.858 4.939 -3.912 1.00 0.00 C ATOM 395 CG TRP A 27 0.014 5.123 -5.175 1.00 0.00 C ATOM 396 CD1 TRP A 27 0.193 6.009 -6.165 1.00 0.00 C ATOM 397 CD2 TRP A 27 -1.155 4.363 -5.547 1.00 0.00 C ATOM 398 NE1 TRP A 27 -0.772 5.877 -7.142 1.00 0.00 N ATOM 399 CE2 TRP A 27 -1.618 4.844 -6.755 1.00 0.00 C ATOM 400 CE3 TRP A 27 -1.800 3.304 -4.884 1.00 0.00 C ATOM 401 CZ2 TRP A 27 -2.744 4.326 -7.405 1.00 0.00 C ATOM 402 CZ3 TRP A 27 -2.925 2.798 -5.546 1.00 0.00 C ATOM 403 CH2 TRP A 27 -3.404 3.271 -6.763 1.00 0.00 C ATOM 0 H TRP A 27 -1.757 5.540 -2.408 1.00 0.00 H new ATOM 0 HA TRP A 27 1.110 5.631 -1.944 1.00 0.00 H new ATOM 0 HB2 TRP A 27 1.872 5.284 -4.112 1.00 0.00 H new ATOM 0 HB3 TRP A 27 0.923 3.875 -3.682 1.00 0.00 H new ATOM 0 HD1 TRP A 27 0.992 6.735 -6.194 1.00 0.00 H new ATOM 0 HE1 TRP A 27 -0.850 6.435 -7.992 1.00 0.00 H new ATOM 0 HE3 TRP A 27 -1.455 2.912 -3.939 1.00 0.00 H new ATOM 0 HZ2 TRP A 27 -3.086 4.719 -8.351 1.00 0.00 H new ATOM 0 HZ3 TRP A 27 -3.458 1.983 -5.079 1.00 0.00 H new ATOM 0 HH2 TRP A 27 -4.281 2.827 -7.211 1.00 0.00 H new ATOM 414 N TRP A 28 0.983 7.993 -2.715 1.00 0.00 N ATOM 415 CA TRP A 28 0.821 9.420 -2.936 1.00 0.00 C ATOM 416 C TRP A 28 2.214 10.042 -3.053 1.00 0.00 C ATOM 417 O TRP A 28 3.217 9.381 -2.788 1.00 0.00 O ATOM 418 CB TRP A 28 -0.025 10.054 -1.830 1.00 0.00 C ATOM 419 CG TRP A 28 0.618 9.993 -0.443 1.00 0.00 C ATOM 420 CD1 TRP A 28 1.275 10.965 0.205 1.00 0.00 C ATOM 421 CD2 TRP A 28 0.638 8.857 0.447 1.00 0.00 C ATOM 422 NE1 TRP A 28 1.716 10.540 1.442 1.00 0.00 N ATOM 423 CE2 TRP A 28 1.316 9.217 1.594 1.00 0.00 C ATOM 424 CE3 TRP A 28 0.100 7.568 0.288 1.00 0.00 C ATOM 425 CZ2 TRP A 28 1.519 8.345 2.670 1.00 0.00 C ATOM 426 CZ3 TRP A 28 0.313 6.708 1.373 1.00 0.00 C ATOM 427 CH2 TRP A 28 0.993 7.055 2.534 1.00 0.00 C ATOM 0 H TRP A 28 1.898 7.718 -2.358 1.00 0.00 H new ATOM 0 HA TRP A 28 0.277 9.607 -3.862 1.00 0.00 H new ATOM 0 HB2 TRP A 28 -0.216 11.096 -2.085 1.00 0.00 H new ATOM 0 HB3 TRP A 28 -0.992 9.552 -1.793 1.00 0.00 H new ATOM 0 HD1 TRP A 28 1.439 11.956 -0.191 1.00 0.00 H new ATOM 0 HE1 TRP A 28 2.239 11.094 2.120 1.00 0.00 H new ATOM 0 HE3 TRP A 28 -0.435 7.265 -0.600 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 2.053 8.651 3.558 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 -0.079 5.704 1.302 1.00 0.00 H new ATOM 0 HH2 TRP A 28 1.115 6.333 3.328 1.00 0.00 H new ATOM 438 N SER A 29 2.232 11.306 -3.450 1.00 0.00 N ATOM 439 CA SER A 29 3.486 12.024 -3.606 1.00 0.00 C ATOM 440 C SER A 29 3.674 13.005 -2.447 1.00 0.00 C ATOM 441 O SER A 29 2.698 13.489 -1.874 1.00 0.00 O ATOM 442 CB SER A 29 3.534 12.766 -4.943 1.00 0.00 C ATOM 443 OG SER A 29 3.599 11.869 -6.049 1.00 0.00 O ATOM 0 H SER A 29 1.398 11.851 -3.668 1.00 0.00 H new ATOM 0 HA SER A 29 4.299 11.298 -3.596 1.00 0.00 H new ATOM 0 HB2 SER A 29 2.651 13.397 -5.039 1.00 0.00 H new ATOM 0 HB3 SER A 29 4.401 13.426 -4.960 1.00 0.00 H new ATOM 0 HG SER A 29 3.626 12.381 -6.884 1.00 0.00 H new ATOM 449 N ASP A 30 4.934 13.270 -2.137 1.00 0.00 N ATOM 450 CA ASP A 30 5.262 14.186 -1.057 1.00 0.00 C ATOM 451 C ASP A 30 6.536 14.954 -1.415 1.00 0.00 C ATOM 452 O ASP A 30 7.246 14.585 -2.349 1.00 0.00 O ATOM 453 CB ASP A 30 5.518 13.429 0.248 1.00 0.00 C ATOM 454 CG ASP A 30 5.537 14.298 1.507 1.00 0.00 C ATOM 455 OD1 ASP A 30 5.078 15.456 1.404 1.00 0.00 O ATOM 456 OD2 ASP A 30 6.009 13.785 2.544 1.00 0.00 O ATOM 0 H ASP A 30 5.740 12.867 -2.614 1.00 0.00 H new ATOM 0 HA ASP A 30 4.419 14.864 -0.922 1.00 0.00 H new ATOM 0 HB2 ASP A 30 4.749 12.665 0.364 1.00 0.00 H new ATOM 0 HB3 ASP A 30 6.473 12.911 0.168 1.00 0.00 H new ATOM 461 N HIS A 31 6.786 16.009 -0.653 1.00 0.00 N ATOM 462 CA HIS A 31 7.961 16.833 -0.878 1.00 0.00 C ATOM 463 C HIS A 31 9.221 16.032 -0.543 1.00 0.00 C ATOM 464 O HIS A 31 10.334 16.469 -0.833 1.00 0.00 O ATOM 465 CB HIS A 31 7.866 18.142 -0.093 1.00 0.00 C ATOM 466 CG HIS A 31 8.907 19.166 -0.476 1.00 0.00 C ATOM 467 ND1 HIS A 31 9.160 20.298 0.279 1.00 0.00 N ATOM 468 CD2 HIS A 31 9.758 19.216 -1.541 1.00 0.00 C ATOM 469 CE1 HIS A 31 10.120 20.992 -0.315 1.00 0.00 C ATOM 470 NE2 HIS A 31 10.489 20.320 -1.443 1.00 0.00 N ATOM 0 H HIS A 31 6.195 16.312 0.121 1.00 0.00 H new ATOM 0 HA HIS A 31 8.017 17.111 -1.930 1.00 0.00 H new ATOM 0 HB2 HIS A 31 6.876 18.572 -0.243 1.00 0.00 H new ATOM 0 HB3 HIS A 31 7.961 17.923 0.971 1.00 0.00 H new ATOM 0 HD2 HIS A 31 9.826 18.482 -2.330 1.00 0.00 H new ATOM 0 HE1 HIS A 31 10.537 21.926 0.033 1.00 0.00 H new ATOM 0 HE2 HIS A 31 11.208 20.617 -2.103 1.00 0.00 H new ATOM 479 N ARG A 32 9.004 14.873 0.061 1.00 0.00 N ATOM 480 CA ARG A 32 10.108 14.007 0.439 1.00 0.00 C ATOM 481 C ARG A 32 10.236 12.848 -0.552 1.00 0.00 C ATOM 482 O ARG A 32 11.327 12.319 -0.757 1.00 0.00 O ATOM 483 CB ARG A 32 9.911 13.445 1.848 1.00 0.00 C ATOM 484 CG ARG A 32 11.168 12.718 2.329 1.00 0.00 C ATOM 485 CD ARG A 32 10.843 11.766 3.482 1.00 0.00 C ATOM 486 NE ARG A 32 10.661 12.531 4.735 1.00 0.00 N ATOM 487 CZ ARG A 32 10.772 12.002 5.961 1.00 0.00 C ATOM 488 NH1 ARG A 32 11.064 10.703 6.107 1.00 0.00 N ATOM 489 NH2 ARG A 32 10.590 12.773 7.043 1.00 0.00 N ATOM 0 H ARG A 32 8.079 14.513 0.298 1.00 0.00 H new ATOM 0 HA ARG A 32 11.019 14.605 0.424 1.00 0.00 H new ATOM 0 HB2 ARG A 32 9.669 14.255 2.536 1.00 0.00 H new ATOM 0 HB3 ARG A 32 9.065 12.758 1.854 1.00 0.00 H new ATOM 0 HG2 ARG A 32 11.607 12.158 1.503 1.00 0.00 H new ATOM 0 HG3 ARG A 32 11.912 13.446 2.652 1.00 0.00 H new ATOM 0 HD2 ARG A 32 9.938 11.203 3.255 1.00 0.00 H new ATOM 0 HD3 ARG A 32 11.647 11.040 3.603 1.00 0.00 H new ATOM 0 HE ARG A 32 10.437 13.523 4.661 1.00 0.00 H new ATOM 0 HH11 ARG A 32 11.202 10.116 5.285 1.00 0.00 H new ATOM 0 HH12 ARG A 32 11.148 10.301 7.041 1.00 0.00 H new ATOM 0 HH21 ARG A 32 10.367 13.762 6.933 1.00 0.00 H new ATOM 0 HH22 ARG A 32 10.674 12.370 7.976 1.00 0.00 H new ATOM 503 N GLY A 33 9.105 12.488 -1.141 1.00 0.00 N ATOM 504 CA GLY A 33 9.076 11.401 -2.105 1.00 0.00 C ATOM 505 C GLY A 33 7.685 10.767 -2.176 1.00 0.00 C ATOM 506 O GLY A 33 6.747 11.247 -1.542 1.00 0.00 O ATOM 0 H GLY A 33 8.202 12.930 -0.969 1.00 0.00 H new ATOM 0 HA2 GLY A 33 9.360 11.775 -3.089 1.00 0.00 H new ATOM 0 HA3 GLY A 33 9.810 10.645 -1.828 1.00 0.00 H new ATOM 510 N THR A 34 7.596 9.698 -2.954 1.00 0.00 N ATOM 511 CA THR A 34 6.336 8.994 -3.117 1.00 0.00 C ATOM 512 C THR A 34 6.155 7.961 -2.003 1.00 0.00 C ATOM 513 O THR A 34 6.927 7.008 -1.904 1.00 0.00 O ATOM 514 CB THR A 34 6.312 8.385 -4.520 1.00 0.00 C ATOM 515 OG1 THR A 34 5.995 9.484 -5.370 1.00 0.00 O ATOM 516 CG2 THR A 34 5.146 7.414 -4.717 1.00 0.00 C ATOM 0 H THR A 34 8.376 9.303 -3.478 1.00 0.00 H new ATOM 0 HA THR A 34 5.489 9.674 -3.028 1.00 0.00 H new ATOM 0 HB THR A 34 7.252 7.866 -4.706 1.00 0.00 H new ATOM 0 HG1 THR A 34 5.961 9.179 -6.301 1.00 0.00 H new ATOM 0 HG21 THR A 34 5.176 7.010 -5.729 1.00 0.00 H new ATOM 0 HG22 THR A 34 5.226 6.598 -3.999 1.00 0.00 H new ATOM 0 HG23 THR A 34 4.204 7.941 -4.564 1.00 0.00 H new ATOM 524 N ILE A 35 5.131 8.184 -1.192 1.00 0.00 N ATOM 525 CA ILE A 35 4.839 7.285 -0.089 1.00 0.00 C ATOM 526 C ILE A 35 3.824 6.236 -0.548 1.00 0.00 C ATOM 527 O ILE A 35 2.833 6.568 -1.196 1.00 0.00 O ATOM 528 CB ILE A 35 4.394 8.074 1.143 1.00 0.00 C ATOM 529 CG1 ILE A 35 5.448 9.110 1.541 1.00 0.00 C ATOM 530 CG2 ILE A 35 4.047 7.136 2.300 1.00 0.00 C ATOM 531 CD1 ILE A 35 5.119 9.734 2.898 1.00 0.00 C ATOM 0 H ILE A 35 4.493 8.975 -1.277 1.00 0.00 H new ATOM 0 HA ILE A 35 5.738 6.749 0.214 1.00 0.00 H new ATOM 0 HB ILE A 35 3.486 8.620 0.888 1.00 0.00 H new ATOM 0 HG12 ILE A 35 6.430 8.638 1.582 1.00 0.00 H new ATOM 0 HG13 ILE A 35 5.501 9.890 0.781 1.00 0.00 H new ATOM 0 HG21 ILE A 35 3.734 7.723 3.163 1.00 0.00 H new ATOM 0 HG22 ILE A 35 3.237 6.472 2.000 1.00 0.00 H new ATOM 0 HG23 ILE A 35 4.923 6.543 2.563 1.00 0.00 H new ATOM 0 HD11 ILE A 35 5.884 10.466 3.157 1.00 0.00 H new ATOM 0 HD12 ILE A 35 4.148 10.226 2.846 1.00 0.00 H new ATOM 0 HD13 ILE A 35 5.091 8.955 3.660 1.00 0.00 H new ATOM 543 N ILE A 36 4.105 4.991 -0.192 1.00 0.00 N ATOM 544 CA ILE A 36 3.229 3.892 -0.559 1.00 0.00 C ATOM 545 C ILE A 36 2.920 3.055 0.685 1.00 0.00 C ATOM 546 O ILE A 36 3.831 2.631 1.394 1.00 0.00 O ATOM 547 CB ILE A 36 3.834 3.084 -1.708 1.00 0.00 C ATOM 548 CG1 ILE A 36 4.502 4.004 -2.733 1.00 0.00 C ATOM 549 CG2 ILE A 36 2.785 2.175 -2.352 1.00 0.00 C ATOM 550 CD1 ILE A 36 5.113 3.196 -3.879 1.00 0.00 C ATOM 0 H ILE A 36 4.927 4.719 0.347 1.00 0.00 H new ATOM 0 HA ILE A 36 2.278 4.272 -0.934 1.00 0.00 H new ATOM 0 HB ILE A 36 4.611 2.439 -1.299 1.00 0.00 H new ATOM 0 HG12 ILE A 36 3.768 4.706 -3.129 1.00 0.00 H new ATOM 0 HG13 ILE A 36 5.278 4.595 -2.246 1.00 0.00 H new ATOM 0 HG21 ILE A 36 3.242 1.612 -3.166 1.00 0.00 H new ATOM 0 HG22 ILE A 36 2.396 1.483 -1.605 1.00 0.00 H new ATOM 0 HG23 ILE A 36 1.969 2.782 -2.744 1.00 0.00 H new ATOM 0 HD11 ILE A 36 5.581 3.874 -4.593 1.00 0.00 H new ATOM 0 HD12 ILE A 36 5.863 2.512 -3.482 1.00 0.00 H new ATOM 0 HD13 ILE A 36 4.331 2.626 -4.380 1.00 0.00 H new ATOM 562 N GLU A 37 1.632 2.843 0.911 1.00 0.00 N ATOM 563 CA GLU A 37 1.191 2.065 2.056 1.00 0.00 C ATOM 564 C GLU A 37 0.172 1.010 1.621 1.00 0.00 C ATOM 565 O GLU A 37 -0.933 1.346 1.199 1.00 0.00 O ATOM 566 CB GLU A 37 0.611 2.971 3.144 1.00 0.00 C ATOM 567 CG GLU A 37 -0.395 2.212 4.012 1.00 0.00 C ATOM 568 CD GLU A 37 -0.946 3.107 5.123 1.00 0.00 C ATOM 569 OE1 GLU A 37 -0.624 4.314 5.092 1.00 0.00 O ATOM 570 OE2 GLU A 37 -1.677 2.563 5.979 1.00 0.00 O ATOM 0 H GLU A 37 0.879 3.197 0.320 1.00 0.00 H new ATOM 0 HA GLU A 37 2.056 1.554 2.478 1.00 0.00 H new ATOM 0 HB2 GLU A 37 1.417 3.357 3.768 1.00 0.00 H new ATOM 0 HB3 GLU A 37 0.124 3.831 2.684 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -1.215 1.850 3.392 1.00 0.00 H new ATOM 0 HG3 GLU A 37 0.085 1.337 4.450 1.00 0.00 H new ATOM 577 N ARG A 38 0.581 -0.245 1.738 1.00 0.00 N ATOM 578 CA ARG A 38 -0.282 -1.352 1.361 1.00 0.00 C ATOM 579 C ARG A 38 -0.576 -2.233 2.577 1.00 0.00 C ATOM 580 O ARG A 38 0.152 -2.193 3.568 1.00 0.00 O ATOM 581 CB ARG A 38 0.362 -2.204 0.266 1.00 0.00 C ATOM 582 CG ARG A 38 0.846 -1.332 -0.894 1.00 0.00 C ATOM 583 CD ARG A 38 0.998 -2.157 -2.174 1.00 0.00 C ATOM 584 NE ARG A 38 1.835 -1.425 -3.151 1.00 0.00 N ATOM 585 CZ ARG A 38 3.137 -1.164 -2.978 1.00 0.00 C ATOM 586 NH1 ARG A 38 3.760 -1.573 -1.864 1.00 0.00 N ATOM 587 NH2 ARG A 38 3.818 -0.494 -3.918 1.00 0.00 N ATOM 0 H ARG A 38 1.499 -0.520 2.089 1.00 0.00 H new ATOM 0 HA ARG A 38 -1.212 -0.932 0.978 1.00 0.00 H new ATOM 0 HB2 ARG A 38 1.201 -2.762 0.681 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -0.358 -2.936 -0.100 1.00 0.00 H new ATOM 0 HG2 ARG A 38 0.139 -0.520 -1.063 1.00 0.00 H new ATOM 0 HG3 ARG A 38 1.801 -0.875 -0.636 1.00 0.00 H new ATOM 0 HD2 ARG A 38 1.452 -3.121 -1.944 1.00 0.00 H new ATOM 0 HD3 ARG A 38 0.017 -2.361 -2.604 1.00 0.00 H new ATOM 0 HE ARG A 38 1.392 -1.099 -4.010 1.00 0.00 H new ATOM 0 HH11 ARG A 38 3.242 -2.083 -1.148 1.00 0.00 H new ATOM 0 HH12 ARG A 38 4.752 -1.374 -1.732 1.00 0.00 H new ATOM 0 HH21 ARG A 38 3.345 -0.182 -4.766 1.00 0.00 H new ATOM 0 HH22 ARG A 38 4.810 -0.296 -3.785 1.00 0.00 H new ATOM 601 N GLY A 39 -1.644 -3.008 2.462 1.00 0.00 N ATOM 602 CA GLY A 39 -2.043 -3.897 3.539 1.00 0.00 C ATOM 603 C GLY A 39 -3.274 -4.716 3.147 1.00 0.00 C ATOM 604 O GLY A 39 -3.747 -4.629 2.015 1.00 0.00 O ATOM 0 H GLY A 39 -2.246 -3.039 1.639 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -1.220 -4.567 3.786 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -2.259 -3.315 4.435 1.00 0.00 H new ATOM 608 N CYS A 40 -3.758 -5.494 4.104 1.00 0.00 N ATOM 609 CA CYS A 40 -4.925 -6.328 3.872 1.00 0.00 C ATOM 610 C CYS A 40 -6.176 -5.484 4.125 1.00 0.00 C ATOM 611 O CYS A 40 -6.145 -4.543 4.916 1.00 0.00 O ATOM 612 CB CYS A 40 -4.902 -7.588 4.740 1.00 0.00 C ATOM 613 SG CYS A 40 -3.850 -8.942 4.100 1.00 0.00 S ATOM 0 H CYS A 40 -3.363 -5.564 5.042 1.00 0.00 H new ATOM 0 HA CYS A 40 -4.926 -6.678 2.840 1.00 0.00 H new ATOM 0 HB2 CYS A 40 -4.556 -7.319 5.738 1.00 0.00 H new ATOM 0 HB3 CYS A 40 -5.922 -7.958 4.846 1.00 0.00 H new ATOM 618 N GLY A 41 -7.248 -5.852 3.438 1.00 0.00 N ATOM 619 CA GLY A 41 -8.507 -5.141 3.578 1.00 0.00 C ATOM 620 C GLY A 41 -8.665 -4.085 2.482 1.00 0.00 C ATOM 621 O GLY A 41 -7.922 -4.087 1.501 1.00 0.00 O ATOM 0 H GLY A 41 -7.270 -6.633 2.783 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -9.335 -5.848 3.529 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -8.552 -4.664 4.557 1.00 0.00 H new ATOM 625 N CYS A 42 -9.638 -3.208 2.685 1.00 0.00 N ATOM 626 CA CYS A 42 -9.903 -2.149 1.726 1.00 0.00 C ATOM 627 C CYS A 42 -10.373 -0.913 2.495 1.00 0.00 C ATOM 628 O CYS A 42 -11.558 -0.583 2.481 1.00 0.00 O ATOM 629 CB CYS A 42 -10.918 -2.584 0.668 1.00 0.00 C ATOM 630 SG CYS A 42 -11.426 -1.267 -0.497 1.00 0.00 S ATOM 0 H CYS A 42 -10.252 -3.209 3.499 1.00 0.00 H new ATOM 0 HA CYS A 42 -8.990 -1.911 1.181 1.00 0.00 H new ATOM 0 HB2 CYS A 42 -10.495 -3.411 0.097 1.00 0.00 H new ATOM 0 HB3 CYS A 42 -11.806 -2.966 1.172 1.00 0.00 H new ATOM 635 N PRO A 43 -9.420 -0.262 3.147 1.00 0.00 N ATOM 636 CA PRO A 43 -9.646 0.944 3.945 1.00 0.00 C ATOM 637 C PRO A 43 -9.986 2.135 3.046 1.00 0.00 C ATOM 638 O PRO A 43 -10.050 1.997 1.826 1.00 0.00 O ATOM 639 CB PRO A 43 -8.304 1.160 4.648 1.00 0.00 C ATOM 640 CG PRO A 43 -7.308 0.537 3.713 1.00 0.00 C ATOM 641 CD PRO A 43 -8.013 -0.667 3.154 1.00 0.00 C ATOM 0 HA PRO A 43 -10.481 0.846 4.639 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -8.099 2.219 4.803 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -8.285 0.684 5.629 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -7.019 1.230 2.922 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -6.395 0.254 4.237 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -7.660 -0.910 2.152 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -7.852 -1.550 3.772 1.00 0.00 H new ATOM 649 N LYS A 44 -10.197 3.277 3.684 1.00 0.00 N ATOM 650 CA LYS A 44 -10.529 4.490 2.957 1.00 0.00 C ATOM 651 C LYS A 44 -9.388 5.498 3.107 1.00 0.00 C ATOM 652 O LYS A 44 -8.806 5.627 4.182 1.00 0.00 O ATOM 653 CB LYS A 44 -11.889 5.029 3.408 1.00 0.00 C ATOM 654 CG LYS A 44 -13.029 4.324 2.670 1.00 0.00 C ATOM 655 CD LYS A 44 -14.365 4.551 3.382 1.00 0.00 C ATOM 656 CE LYS A 44 -14.809 6.010 3.261 1.00 0.00 C ATOM 657 NZ LYS A 44 -15.116 6.344 1.853 1.00 0.00 N ATOM 0 H LYS A 44 -10.144 3.388 4.697 1.00 0.00 H new ATOM 0 HA LYS A 44 -10.632 4.280 1.892 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -12.003 4.886 4.483 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -11.939 6.102 3.222 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -13.090 4.696 1.647 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -12.822 3.256 2.609 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -15.126 3.899 2.953 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -14.271 4.282 4.434 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -15.689 6.181 3.881 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -14.023 6.667 3.634 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -15.707 7.199 1.820 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -14.230 6.515 1.336 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -15.627 5.553 1.412 1.00 0.00 H new ATOM 671 N VAL A 45 -9.103 6.187 2.011 1.00 0.00 N ATOM 672 CA VAL A 45 -8.042 7.180 2.007 1.00 0.00 C ATOM 673 C VAL A 45 -8.649 8.569 1.800 1.00 0.00 C ATOM 674 O VAL A 45 -9.787 8.692 1.349 1.00 0.00 O ATOM 675 CB VAL A 45 -6.995 6.822 0.950 1.00 0.00 C ATOM 676 CG1 VAL A 45 -6.492 5.389 1.140 1.00 0.00 C ATOM 677 CG2 VAL A 45 -7.548 7.026 -0.461 1.00 0.00 C ATOM 0 H VAL A 45 -9.588 6.077 1.121 1.00 0.00 H new ATOM 0 HA VAL A 45 -7.526 7.191 2.967 1.00 0.00 H new ATOM 0 HB VAL A 45 -6.147 7.495 1.078 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -5.749 5.160 0.376 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -6.040 5.290 2.127 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -7.328 4.695 1.052 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -6.784 6.764 -1.193 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -8.421 6.390 -0.605 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -7.834 8.070 -0.592 1.00 0.00 H new ATOM 687 N LYS A 46 -7.863 9.580 2.139 1.00 0.00 N ATOM 688 CA LYS A 46 -8.310 10.955 1.996 1.00 0.00 C ATOM 689 C LYS A 46 -8.022 11.435 0.572 1.00 0.00 C ATOM 690 O LYS A 46 -7.331 10.757 -0.187 1.00 0.00 O ATOM 691 CB LYS A 46 -7.685 11.837 3.079 1.00 0.00 C ATOM 692 CG LYS A 46 -7.617 11.097 4.416 1.00 0.00 C ATOM 693 CD LYS A 46 -7.613 12.080 5.588 1.00 0.00 C ATOM 694 CE LYS A 46 -9.030 12.560 5.906 1.00 0.00 C ATOM 695 NZ LYS A 46 -8.997 13.639 6.919 1.00 0.00 N ATOM 0 H LYS A 46 -6.920 9.475 2.512 1.00 0.00 H new ATOM 0 HA LYS A 46 -9.388 11.022 2.144 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -6.683 12.138 2.774 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -8.271 12.749 3.193 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -8.468 10.422 4.506 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -6.718 10.482 4.450 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -7.182 11.601 6.467 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -6.981 12.935 5.348 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -9.510 12.921 4.997 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -9.629 11.727 6.273 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -9.967 13.953 7.123 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -8.558 13.283 7.792 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -8.443 14.440 6.555 1.00 0.00 H new ATOM 709 N PRO A 47 -8.567 12.600 0.252 1.00 0.00 N ATOM 710 CA PRO A 47 -8.424 13.248 -1.053 1.00 0.00 C ATOM 711 C PRO A 47 -6.943 13.494 -1.352 1.00 0.00 C ATOM 712 O PRO A 47 -6.206 13.975 -0.493 1.00 0.00 O ATOM 713 CB PRO A 47 -9.147 14.584 -0.874 1.00 0.00 C ATOM 714 CG PRO A 47 -10.126 14.317 0.231 1.00 0.00 C ATOM 715 CD PRO A 47 -9.388 13.398 1.164 1.00 0.00 C ATOM 0 HA PRO A 47 -8.824 12.652 -1.873 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -8.453 15.382 -0.609 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -9.652 14.891 -1.790 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -10.422 15.239 0.732 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -11.037 13.853 -0.147 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -8.778 13.951 1.878 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -10.071 12.776 1.743 1.00 0.00 H new ATOM 723 N GLY A 48 -6.553 13.153 -2.571 1.00 0.00 N ATOM 724 CA GLY A 48 -5.174 13.331 -2.993 1.00 0.00 C ATOM 725 C GLY A 48 -4.417 12.002 -2.966 1.00 0.00 C ATOM 726 O GLY A 48 -3.558 11.756 -3.812 1.00 0.00 O ATOM 0 H GLY A 48 -7.168 12.754 -3.280 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -5.149 13.748 -4.000 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -4.679 14.049 -2.339 1.00 0.00 H new ATOM 730 N VAL A 49 -4.762 11.180 -1.987 1.00 0.00 N ATOM 731 CA VAL A 49 -4.126 9.882 -1.839 1.00 0.00 C ATOM 732 C VAL A 49 -4.780 8.886 -2.799 1.00 0.00 C ATOM 733 O VAL A 49 -5.975 8.978 -3.075 1.00 0.00 O ATOM 734 CB VAL A 49 -4.187 9.432 -0.378 1.00 0.00 C ATOM 735 CG1 VAL A 49 -3.133 8.361 -0.090 1.00 0.00 C ATOM 736 CG2 VAL A 49 -4.031 10.624 0.569 1.00 0.00 C ATOM 0 H VAL A 49 -5.475 11.388 -1.287 1.00 0.00 H new ATOM 0 HA VAL A 49 -3.070 9.942 -2.102 1.00 0.00 H new ATOM 0 HB VAL A 49 -5.168 8.991 -0.203 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -3.198 8.059 0.955 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -3.309 7.496 -0.730 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -2.140 8.764 -0.290 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -4.078 10.277 1.601 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -3.070 11.106 0.392 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -4.834 11.339 0.390 1.00 0.00 H new ATOM 746 N ASN A 50 -3.967 7.958 -3.281 1.00 0.00 N ATOM 747 CA ASN A 50 -4.452 6.946 -4.205 1.00 0.00 C ATOM 748 C ASN A 50 -4.692 5.640 -3.444 1.00 0.00 C ATOM 749 O ASN A 50 -3.945 5.307 -2.525 1.00 0.00 O ATOM 750 CB ASN A 50 -3.427 6.669 -5.306 1.00 0.00 C ATOM 751 CG ASN A 50 -3.440 7.779 -6.359 1.00 0.00 C ATOM 752 OD1 ASN A 50 -4.279 7.820 -7.245 1.00 0.00 O ATOM 753 ND2 ASN A 50 -2.467 8.674 -6.215 1.00 0.00 N ATOM 0 H ASN A 50 -2.976 7.885 -3.050 1.00 0.00 H new ATOM 0 HA ASN A 50 -5.374 7.314 -4.655 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -2.432 6.589 -4.869 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -3.646 5.712 -5.779 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -2.390 9.454 -6.868 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -1.797 8.581 -5.451 1.00 0.00 H new ATOM 760 N LEU A 51 -5.737 4.937 -3.854 1.00 0.00 N ATOM 761 CA LEU A 51 -6.085 3.676 -3.222 1.00 0.00 C ATOM 762 C LEU A 51 -6.625 2.712 -4.281 1.00 0.00 C ATOM 763 O LEU A 51 -7.368 3.118 -5.174 1.00 0.00 O ATOM 764 CB LEU A 51 -7.046 3.908 -2.055 1.00 0.00 C ATOM 765 CG LEU A 51 -7.656 2.653 -1.428 1.00 0.00 C ATOM 766 CD1 LEU A 51 -6.566 1.659 -1.020 1.00 0.00 C ATOM 767 CD2 LEU A 51 -8.570 3.014 -0.255 1.00 0.00 C ATOM 0 H LEU A 51 -6.354 5.217 -4.616 1.00 0.00 H new ATOM 0 HA LEU A 51 -5.200 3.211 -2.788 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -6.515 4.457 -1.277 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -7.858 4.548 -2.400 1.00 0.00 H new ATOM 0 HG LEU A 51 -8.275 2.163 -2.179 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -7.026 0.776 -0.577 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -5.992 1.367 -1.900 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -5.902 2.126 -0.292 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -8.990 2.104 0.172 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -7.994 3.540 0.506 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -9.377 3.656 -0.607 1.00 0.00 H new ATOM 779 N ASN A 52 -6.231 1.454 -4.146 1.00 0.00 N ATOM 780 CA ASN A 52 -6.667 0.430 -5.080 1.00 0.00 C ATOM 781 C ASN A 52 -6.999 -0.849 -4.309 1.00 0.00 C ATOM 782 O ASN A 52 -6.144 -1.401 -3.617 1.00 0.00 O ATOM 783 CB ASN A 52 -5.565 0.100 -6.089 1.00 0.00 C ATOM 784 CG ASN A 52 -5.676 -1.348 -6.569 1.00 0.00 C ATOM 785 OD1 ASN A 52 -5.315 -2.288 -5.879 1.00 0.00 O ATOM 786 ND2 ASN A 52 -6.194 -1.476 -7.787 1.00 0.00 N ATOM 0 H ASN A 52 -5.615 1.121 -3.404 1.00 0.00 H new ATOM 0 HA ASN A 52 -7.541 0.808 -5.610 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -5.634 0.776 -6.942 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -4.589 0.261 -5.632 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -6.310 -2.403 -8.197 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -6.476 -0.648 -8.311 1.00 0.00 H new ATOM 793 N CYS A 53 -8.243 -1.283 -4.453 1.00 0.00 N ATOM 794 CA CYS A 53 -8.698 -2.486 -3.778 1.00 0.00 C ATOM 795 C CYS A 53 -8.954 -3.562 -4.836 1.00 0.00 C ATOM 796 O CYS A 53 -9.393 -3.258 -5.943 1.00 0.00 O ATOM 797 CB CYS A 53 -9.939 -2.220 -2.924 1.00 0.00 C ATOM 798 SG CYS A 53 -9.735 -0.912 -1.661 1.00 0.00 S ATOM 0 H CYS A 53 -8.949 -0.823 -5.027 1.00 0.00 H new ATOM 0 HA CYS A 53 -7.929 -2.832 -3.087 1.00 0.00 H new ATOM 0 HB2 CYS A 53 -10.763 -1.945 -3.582 1.00 0.00 H new ATOM 0 HB3 CYS A 53 -10.225 -3.146 -2.425 1.00 0.00 H new ATOM 803 N CYS A 54 -8.667 -4.799 -4.457 1.00 0.00 N ATOM 804 CA CYS A 54 -8.859 -5.922 -5.359 1.00 0.00 C ATOM 805 C CYS A 54 -9.134 -7.171 -4.519 1.00 0.00 C ATOM 806 O CYS A 54 -8.861 -7.189 -3.319 1.00 0.00 O ATOM 807 CB CYS A 54 -7.660 -6.112 -6.290 1.00 0.00 C ATOM 808 SG CYS A 54 -6.031 -5.807 -5.515 1.00 0.00 S ATOM 0 H CYS A 54 -8.303 -5.048 -3.537 1.00 0.00 H new ATOM 0 HA CYS A 54 -9.712 -5.728 -6.009 1.00 0.00 H new ATOM 0 HB2 CYS A 54 -7.677 -7.130 -6.678 1.00 0.00 H new ATOM 0 HB3 CYS A 54 -7.771 -5.444 -7.144 1.00 0.00 H new ATOM 813 N ARG A 55 -9.671 -8.185 -5.182 1.00 0.00 N ATOM 814 CA ARG A 55 -9.985 -9.435 -4.511 1.00 0.00 C ATOM 815 C ARG A 55 -9.074 -10.554 -5.021 1.00 0.00 C ATOM 816 O ARG A 55 -9.542 -11.650 -5.323 1.00 0.00 O ATOM 817 CB ARG A 55 -11.445 -9.831 -4.740 1.00 0.00 C ATOM 818 CG ARG A 55 -12.395 -8.786 -4.152 1.00 0.00 C ATOM 819 CD ARG A 55 -13.694 -8.711 -4.958 1.00 0.00 C ATOM 820 NE ARG A 55 -13.413 -8.228 -6.328 1.00 0.00 N ATOM 821 CZ ARG A 55 -14.354 -8.015 -7.258 1.00 0.00 C ATOM 822 NH1 ARG A 55 -15.643 -8.241 -6.970 1.00 0.00 N ATOM 823 NH2 ARG A 55 -14.006 -7.577 -8.475 1.00 0.00 N ATOM 0 H ARG A 55 -9.896 -8.166 -6.177 1.00 0.00 H new ATOM 0 HA ARG A 55 -9.823 -9.288 -3.443 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -11.633 -9.939 -5.808 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -11.638 -10.802 -4.283 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -12.620 -9.036 -3.115 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -11.909 -7.810 -4.146 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -14.163 -9.694 -4.999 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -14.399 -8.042 -4.465 1.00 0.00 H new ATOM 0 HE ARG A 55 -12.442 -8.046 -6.581 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -15.908 -8.575 -6.043 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -16.360 -8.079 -7.678 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -13.025 -7.406 -8.694 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -14.722 -7.415 -9.183 1.00 0.00 H new ATOM 837 N THR A 56 -7.790 -10.239 -5.099 1.00 0.00 N ATOM 838 CA THR A 56 -6.810 -11.204 -5.567 1.00 0.00 C ATOM 839 C THR A 56 -5.595 -11.223 -4.637 1.00 0.00 C ATOM 840 O THR A 56 -5.197 -10.186 -4.109 1.00 0.00 O ATOM 841 CB THR A 56 -6.461 -10.859 -7.016 1.00 0.00 C ATOM 842 OG1 THR A 56 -6.530 -9.437 -7.061 1.00 0.00 O ATOM 843 CG2 THR A 56 -7.538 -11.316 -8.002 1.00 0.00 C ATOM 0 H THR A 56 -7.405 -9.329 -4.846 1.00 0.00 H new ATOM 0 HA THR A 56 -7.211 -12.217 -5.547 1.00 0.00 H new ATOM 0 HB THR A 56 -5.509 -11.319 -7.279 1.00 0.00 H new ATOM 0 HG1 THR A 56 -6.316 -9.128 -7.966 1.00 0.00 H new ATOM 0 HG21 THR A 56 -7.241 -11.047 -9.016 1.00 0.00 H new ATOM 0 HG22 THR A 56 -7.658 -12.397 -7.934 1.00 0.00 H new ATOM 0 HG23 THR A 56 -8.483 -10.830 -7.760 1.00 0.00 H new ATOM 851 N ASP A 57 -5.039 -12.414 -4.466 1.00 0.00 N ATOM 852 CA ASP A 57 -3.877 -12.581 -3.610 1.00 0.00 C ATOM 853 C ASP A 57 -2.719 -11.747 -4.160 1.00 0.00 C ATOM 854 O ASP A 57 -2.517 -11.682 -5.371 1.00 0.00 O ATOM 855 CB ASP A 57 -3.429 -14.044 -3.569 1.00 0.00 C ATOM 856 CG ASP A 57 -4.484 -15.029 -3.062 1.00 0.00 C ATOM 857 OD1 ASP A 57 -4.631 -15.117 -1.824 1.00 0.00 O ATOM 858 OD2 ASP A 57 -5.120 -15.673 -3.925 1.00 0.00 O ATOM 0 H ASP A 57 -5.372 -13.272 -4.906 1.00 0.00 H new ATOM 0 HA ASP A 57 -4.150 -12.259 -2.605 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -3.126 -14.344 -4.572 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -2.547 -14.121 -2.933 1.00 0.00 H new ATOM 863 N ARG A 58 -1.989 -11.130 -3.243 1.00 0.00 N ATOM 864 CA ARG A 58 -0.856 -10.302 -3.621 1.00 0.00 C ATOM 865 C ARG A 58 -1.197 -9.467 -4.856 1.00 0.00 C ATOM 866 O ARG A 58 -0.355 -9.275 -5.732 1.00 0.00 O ATOM 867 CB ARG A 58 0.377 -11.158 -3.917 1.00 0.00 C ATOM 868 CG ARG A 58 0.486 -12.323 -2.931 1.00 0.00 C ATOM 869 CD ARG A 58 1.913 -12.874 -2.888 1.00 0.00 C ATOM 870 NE ARG A 58 2.073 -13.776 -1.726 1.00 0.00 N ATOM 871 CZ ARG A 58 1.532 -14.999 -1.644 1.00 0.00 C ATOM 872 NH1 ARG A 58 0.792 -15.473 -2.656 1.00 0.00 N ATOM 873 NH2 ARG A 58 1.730 -15.747 -0.550 1.00 0.00 N ATOM 0 H ARG A 58 -2.160 -11.187 -2.239 1.00 0.00 H new ATOM 0 HA ARG A 58 -0.633 -9.642 -2.783 1.00 0.00 H new ATOM 0 HB2 ARG A 58 0.321 -11.543 -4.935 1.00 0.00 H new ATOM 0 HB3 ARG A 58 1.274 -10.542 -3.858 1.00 0.00 H new ATOM 0 HG2 ARG A 58 0.191 -11.991 -1.936 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -0.205 -13.115 -3.221 1.00 0.00 H new ATOM 0 HD2 ARG A 58 2.131 -13.413 -3.810 1.00 0.00 H new ATOM 0 HD3 ARG A 58 2.627 -12.053 -2.822 1.00 0.00 H new ATOM 0 HE ARG A 58 2.630 -13.446 -0.938 1.00 0.00 H new ATOM 0 HH11 ARG A 58 0.641 -14.903 -3.488 1.00 0.00 H new ATOM 0 HH12 ARG A 58 0.380 -16.404 -2.594 1.00 0.00 H new ATOM 0 HH21 ARG A 58 2.292 -15.385 0.220 1.00 0.00 H new ATOM 0 HH22 ARG A 58 1.318 -16.678 -0.487 1.00 0.00 H new ATOM 887 N CYS A 59 -2.434 -8.993 -4.887 1.00 0.00 N ATOM 888 CA CYS A 59 -2.897 -8.183 -6.001 1.00 0.00 C ATOM 889 C CYS A 59 -2.520 -6.726 -5.725 1.00 0.00 C ATOM 890 O CYS A 59 -2.402 -5.925 -6.651 1.00 0.00 O ATOM 891 CB CYS A 59 -4.400 -8.348 -6.235 1.00 0.00 C ATOM 892 SG CYS A 59 -5.464 -7.618 -4.937 1.00 0.00 S ATOM 0 H CYS A 59 -3.130 -9.154 -4.159 1.00 0.00 H new ATOM 0 HA CYS A 59 -2.414 -8.515 -6.920 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -4.656 -7.895 -7.193 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -4.626 -9.411 -6.315 1.00 0.00 H new ATOM 897 N ASN A 60 -2.340 -6.426 -4.447 1.00 0.00 N ATOM 898 CA ASN A 60 -1.979 -5.080 -4.037 1.00 0.00 C ATOM 899 C ASN A 60 -0.460 -4.990 -3.880 1.00 0.00 C ATOM 900 O ASN A 60 0.035 -4.493 -2.869 1.00 0.00 O ATOM 901 CB ASN A 60 -2.615 -4.724 -2.692 1.00 0.00 C ATOM 902 CG ASN A 60 -2.021 -5.568 -1.564 1.00 0.00 C ATOM 903 OD1 ASN A 60 -1.718 -6.739 -1.723 1.00 0.00 O ATOM 904 ND2 ASN A 60 -1.871 -4.911 -0.417 1.00 0.00 N ATOM 0 H ASN A 60 -2.438 -7.093 -3.681 1.00 0.00 H new ATOM 0 HA ASN A 60 -2.337 -4.388 -4.799 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -2.459 -3.666 -2.480 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -3.692 -4.883 -2.742 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -1.482 -5.388 0.397 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -2.145 -3.931 -0.351 1.00 0.00 H new ATOM 911 N ASN A 61 0.238 -5.478 -4.895 1.00 0.00 N ATOM 912 CA ASN A 61 1.691 -5.459 -4.882 1.00 0.00 C ATOM 913 C ASN A 61 2.178 -4.009 -4.909 1.00 0.00 C ATOM 914 O ASN A 61 2.805 -3.603 -3.907 1.00 0.00 O ATOM 915 CB ASN A 61 2.262 -6.172 -6.110 1.00 0.00 C ATOM 916 CG ASN A 61 1.581 -7.525 -6.324 1.00 0.00 C ATOM 917 OD1 ASN A 61 1.924 -8.525 -5.715 1.00 0.00 O ATOM 918 ND2 ASN A 61 0.600 -7.500 -7.221 1.00 0.00 N ATOM 919 OXT ASN A 61 1.912 -3.340 -5.930 1.00 0.00 O ATOM 0 H ASN A 61 -0.176 -5.889 -5.732 1.00 0.00 H new ATOM 0 HA ASN A 61 2.027 -5.970 -3.979 1.00 0.00 H new ATOM 0 HB2 ASN A 61 2.125 -5.548 -6.993 1.00 0.00 H new ATOM 0 HB3 ASN A 61 3.335 -6.317 -5.985 1.00 0.00 H new ATOM 0 HD21 ASN A 61 0.083 -8.353 -7.435 1.00 0.00 H new ATOM 0 HD22 ASN A 61 0.364 -6.628 -7.695 1.00 0.00 H new TER 926 ASN A 61