USER MOD reduce.3.24.130724 H: found=0, std=0, add=406, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 403 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 NoAdj-H: A 32 HIS HD1 : A 32 HIS ND1 : A 201 ZNZN :(H bumps) USER MOD Set 1.1: A 8 HIS : no HD1:sc= -1.29 K(o=-1.3,f=-2.4) USER MOD Set 1.2: A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc=-0.00913 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot -57:sc= 0.838 USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 SER OG : rot 180:sc= -0.0106 USER MOD Single : A 20 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 23 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 26 THR OG1 : rot 75:sc= 1.2 USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 54 GLN : amide:sc= 0 X(o=0,f=-0.083) USER MOD Single : A 56 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -12.241 5.966 26.236 1.00 0.00 N ATOM 2 CA GLY A 1 -11.392 4.815 25.988 1.00 0.00 C ATOM 3 C GLY A 1 -11.874 3.979 24.819 1.00 0.00 C ATOM 4 O GLY A 1 -12.588 2.994 25.005 1.00 0.00 O ATOM 0 H1 GLY A 1 -11.869 6.504 27.044 1.00 0.00 H new ATOM 0 H2 GLY A 1 -12.256 6.574 25.393 1.00 0.00 H new ATOM 0 H3 GLY A 1 -13.207 5.645 26.449 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -10.374 5.154 25.793 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -11.356 4.195 26.884 1.00 0.00 H new ATOM 8 N SER A 2 -11.486 4.374 23.611 1.00 0.00 N ATOM 9 CA SER A 2 -11.888 3.657 22.407 1.00 0.00 C ATOM 10 C SER A 2 -10.817 2.653 21.989 1.00 0.00 C ATOM 11 O SER A 2 -9.635 2.832 22.282 1.00 0.00 O ATOM 12 CB SER A 2 -12.152 4.641 21.266 1.00 0.00 C ATOM 13 OG SER A 2 -12.384 3.958 20.046 1.00 0.00 O ATOM 0 H SER A 2 -10.894 5.187 23.440 1.00 0.00 H new ATOM 0 HA SER A 2 -12.806 3.113 22.628 1.00 0.00 H new ATOM 0 HB2 SER A 2 -13.015 5.261 21.509 1.00 0.00 H new ATOM 0 HB3 SER A 2 -11.299 5.311 21.155 1.00 0.00 H new ATOM 0 HG SER A 2 -12.552 4.609 19.333 1.00 0.00 H new ATOM 19 N SER A 3 -11.242 1.596 21.304 1.00 0.00 N ATOM 20 CA SER A 3 -10.321 0.561 20.848 1.00 0.00 C ATOM 21 C SER A 3 -10.911 -0.211 19.672 1.00 0.00 C ATOM 22 O SER A 3 -12.045 -0.683 19.730 1.00 0.00 O ATOM 23 CB SER A 3 -9.997 -0.402 21.993 1.00 0.00 C ATOM 24 OG SER A 3 -10.979 -0.332 23.012 1.00 0.00 O ATOM 0 H SER A 3 -12.217 1.434 21.053 1.00 0.00 H new ATOM 0 HA SER A 3 -9.402 1.046 20.518 1.00 0.00 H new ATOM 0 HB2 SER A 3 -9.938 -1.421 21.610 1.00 0.00 H new ATOM 0 HB3 SER A 3 -9.019 -0.161 22.409 1.00 0.00 H new ATOM 0 HG SER A 3 -10.750 -0.958 23.731 1.00 0.00 H new ATOM 30 N GLY A 4 -10.130 -0.334 18.602 1.00 0.00 N ATOM 31 CA GLY A 4 -10.591 -1.049 17.426 1.00 0.00 C ATOM 32 C GLY A 4 -9.595 -2.089 16.952 1.00 0.00 C ATOM 33 O GLY A 4 -8.399 -1.983 17.225 1.00 0.00 O ATOM 0 H GLY A 4 -9.187 0.049 18.529 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -11.541 -1.535 17.649 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -10.779 -0.337 16.622 1.00 0.00 H new ATOM 37 N SER A 5 -10.088 -3.098 16.242 1.00 0.00 N ATOM 38 CA SER A 5 -9.234 -4.165 15.734 1.00 0.00 C ATOM 39 C SER A 5 -9.415 -4.336 14.229 1.00 0.00 C ATOM 40 O SER A 5 -10.538 -4.450 13.737 1.00 0.00 O ATOM 41 CB SER A 5 -9.545 -5.481 16.450 1.00 0.00 C ATOM 42 OG SER A 5 -9.909 -5.253 17.800 1.00 0.00 O ATOM 0 H SER A 5 -11.075 -3.199 16.005 1.00 0.00 H new ATOM 0 HA SER A 5 -8.197 -3.890 15.928 1.00 0.00 H new ATOM 0 HB2 SER A 5 -10.355 -5.997 15.934 1.00 0.00 H new ATOM 0 HB3 SER A 5 -8.674 -6.135 16.410 1.00 0.00 H new ATOM 0 HG SER A 5 -10.104 -6.109 18.235 1.00 0.00 H new ATOM 48 N SER A 6 -8.302 -4.354 13.503 1.00 0.00 N ATOM 49 CA SER A 6 -8.337 -4.508 12.054 1.00 0.00 C ATOM 50 C SER A 6 -9.059 -3.333 11.400 1.00 0.00 C ATOM 51 O SER A 6 -9.591 -2.459 12.083 1.00 0.00 O ATOM 52 CB SER A 6 -9.026 -5.820 11.675 1.00 0.00 C ATOM 53 OG SER A 6 -10.370 -5.595 11.284 1.00 0.00 O ATOM 0 H SER A 6 -7.365 -4.264 13.895 1.00 0.00 H new ATOM 0 HA SER A 6 -7.309 -4.528 11.691 1.00 0.00 H new ATOM 0 HB2 SER A 6 -8.482 -6.298 10.860 1.00 0.00 H new ATOM 0 HB3 SER A 6 -9.000 -6.506 12.522 1.00 0.00 H new ATOM 0 HG SER A 6 -10.852 -5.147 12.011 1.00 0.00 H new ATOM 59 N GLY A 7 -9.073 -3.321 10.071 1.00 0.00 N ATOM 60 CA GLY A 7 -9.732 -2.250 9.346 1.00 0.00 C ATOM 61 C GLY A 7 -8.922 -1.769 8.159 1.00 0.00 C ATOM 62 O GLY A 7 -9.480 -1.412 7.120 1.00 0.00 O ATOM 0 H GLY A 7 -8.640 -4.033 9.483 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -10.707 -2.595 9.001 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -9.911 -1.414 10.022 1.00 0.00 H new ATOM 66 N HIS A 8 -7.602 -1.758 8.311 1.00 0.00 N ATOM 67 CA HIS A 8 -6.713 -1.316 7.242 1.00 0.00 C ATOM 68 C HIS A 8 -7.033 0.117 6.827 1.00 0.00 C ATOM 69 O HIS A 8 -7.958 0.733 7.355 1.00 0.00 O ATOM 70 CB HIS A 8 -6.829 -2.247 6.035 1.00 0.00 C ATOM 71 CG HIS A 8 -6.219 -3.596 6.259 1.00 0.00 C ATOM 72 ND1 HIS A 8 -6.167 -4.203 7.496 1.00 0.00 N ATOM 73 CD2 HIS A 8 -5.633 -4.458 5.395 1.00 0.00 C ATOM 74 CE1 HIS A 8 -5.575 -5.379 7.383 1.00 0.00 C ATOM 75 NE2 HIS A 8 -5.242 -5.558 6.118 1.00 0.00 N ATOM 0 H HIS A 8 -7.124 -2.050 9.163 1.00 0.00 H new ATOM 0 HA HIS A 8 -5.690 -1.347 7.618 1.00 0.00 H new ATOM 0 HB2 HIS A 8 -7.882 -2.371 5.782 1.00 0.00 H new ATOM 0 HB3 HIS A 8 -6.348 -1.778 5.177 1.00 0.00 H new ATOM 0 HD2 HIS A 8 -5.498 -4.308 4.334 1.00 0.00 H new ATOM 0 HE1 HIS A 8 -5.394 -6.075 8.189 1.00 0.00 H new ATOM 0 HE2 HIS A 8 -4.771 -6.380 5.739 1.00 0.00 H new ATOM 83 N GLU A 9 -6.262 0.640 5.878 1.00 0.00 N ATOM 84 CA GLU A 9 -6.464 2.000 5.394 1.00 0.00 C ATOM 85 C GLU A 9 -7.467 2.025 4.244 1.00 0.00 C ATOM 86 O GLU A 9 -8.027 0.994 3.873 1.00 0.00 O ATOM 87 CB GLU A 9 -5.135 2.606 4.939 1.00 0.00 C ATOM 88 CG GLU A 9 -4.009 2.427 5.944 1.00 0.00 C ATOM 89 CD GLU A 9 -4.211 3.251 7.200 1.00 0.00 C ATOM 90 OE1 GLU A 9 -4.667 4.408 7.084 1.00 0.00 O ATOM 91 OE2 GLU A 9 -3.912 2.739 8.299 1.00 0.00 O ATOM 0 H GLU A 9 -5.493 0.142 5.430 1.00 0.00 H new ATOM 0 HA GLU A 9 -6.864 2.595 6.215 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -4.842 2.150 3.993 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -5.276 3.670 4.750 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -3.932 1.374 6.214 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -3.064 2.707 5.479 1.00 0.00 H new ATOM 98 N ASP A 10 -7.688 3.210 3.686 1.00 0.00 N ATOM 99 CA ASP A 10 -8.622 3.371 2.578 1.00 0.00 C ATOM 100 C ASP A 10 -8.128 4.432 1.600 1.00 0.00 C ATOM 101 O ASP A 10 -8.920 5.055 0.891 1.00 0.00 O ATOM 102 CB ASP A 10 -10.008 3.749 3.103 1.00 0.00 C ATOM 103 CG ASP A 10 -10.629 2.650 3.942 1.00 0.00 C ATOM 104 OD1 ASP A 10 -10.597 1.480 3.506 1.00 0.00 O ATOM 105 OD2 ASP A 10 -11.146 2.959 5.036 1.00 0.00 O ATOM 0 H ASP A 10 -7.233 4.073 3.983 1.00 0.00 H new ATOM 0 HA ASP A 10 -8.689 2.420 2.050 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -9.932 4.658 3.699 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -10.663 3.974 2.261 1.00 0.00 H new ATOM 110 N PHE A 11 -6.815 4.634 1.567 1.00 0.00 N ATOM 111 CA PHE A 11 -6.216 5.622 0.678 1.00 0.00 C ATOM 112 C PHE A 11 -4.845 5.156 0.194 1.00 0.00 C ATOM 113 O PHE A 11 -4.059 4.600 0.960 1.00 0.00 O ATOM 114 CB PHE A 11 -6.086 6.969 1.390 1.00 0.00 C ATOM 115 CG PHE A 11 -7.330 7.380 2.126 1.00 0.00 C ATOM 116 CD1 PHE A 11 -8.405 7.928 1.445 1.00 0.00 C ATOM 117 CD2 PHE A 11 -7.424 7.218 3.499 1.00 0.00 C ATOM 118 CE1 PHE A 11 -9.550 8.307 2.119 1.00 0.00 C ATOM 119 CE2 PHE A 11 -8.567 7.594 4.178 1.00 0.00 C ATOM 120 CZ PHE A 11 -9.631 8.141 3.487 1.00 0.00 C ATOM 0 H PHE A 11 -6.146 4.127 2.146 1.00 0.00 H new ATOM 0 HA PHE A 11 -6.869 5.738 -0.187 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -5.256 6.920 2.095 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -5.837 7.736 0.657 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -8.347 8.060 0.375 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -6.594 6.793 4.044 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -10.381 8.733 1.576 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -8.629 7.460 5.248 1.00 0.00 H new ATOM 0 HZ PHE A 11 -10.524 8.438 4.016 1.00 0.00 H new ATOM 130 N CYS A 12 -4.566 5.388 -1.085 1.00 0.00 N ATOM 131 CA CYS A 12 -3.293 4.992 -1.674 1.00 0.00 C ATOM 132 C CYS A 12 -2.124 5.514 -0.843 1.00 0.00 C ATOM 133 O CYS A 12 -2.140 6.653 -0.377 1.00 0.00 O ATOM 134 CB CYS A 12 -3.186 5.514 -3.108 1.00 0.00 C ATOM 135 SG CYS A 12 -1.740 4.889 -4.022 1.00 0.00 S ATOM 0 H CYS A 12 -5.205 5.848 -1.733 1.00 0.00 H new ATOM 0 HA CYS A 12 -3.250 3.903 -1.687 1.00 0.00 H new ATOM 0 HB2 CYS A 12 -4.091 5.241 -3.651 1.00 0.00 H new ATOM 0 HB3 CYS A 12 -3.144 6.603 -3.085 1.00 0.00 H new ATOM 140 N SER A 13 -1.111 4.672 -0.663 1.00 0.00 N ATOM 141 CA SER A 13 0.065 5.046 0.115 1.00 0.00 C ATOM 142 C SER A 13 1.173 5.570 -0.794 1.00 0.00 C ATOM 143 O SER A 13 2.353 5.299 -0.573 1.00 0.00 O ATOM 144 CB SER A 13 0.573 3.848 0.919 1.00 0.00 C ATOM 145 OG SER A 13 0.914 4.229 2.240 1.00 0.00 O ATOM 0 H SER A 13 -1.081 3.727 -1.045 1.00 0.00 H new ATOM 0 HA SER A 13 -0.223 5.840 0.804 1.00 0.00 H new ATOM 0 HB2 SER A 13 -0.193 3.073 0.947 1.00 0.00 H new ATOM 0 HB3 SER A 13 1.444 3.417 0.425 1.00 0.00 H new ATOM 0 HG SER A 13 1.234 3.446 2.734 1.00 0.00 H new ATOM 151 N VAL A 14 0.783 6.323 -1.818 1.00 0.00 N ATOM 152 CA VAL A 14 1.742 6.887 -2.761 1.00 0.00 C ATOM 153 C VAL A 14 1.238 8.208 -3.332 1.00 0.00 C ATOM 154 O VAL A 14 1.983 9.185 -3.417 1.00 0.00 O ATOM 155 CB VAL A 14 2.028 5.914 -3.920 1.00 0.00 C ATOM 156 CG1 VAL A 14 3.005 6.533 -4.908 1.00 0.00 C ATOM 157 CG2 VAL A 14 2.561 4.593 -3.387 1.00 0.00 C ATOM 0 H VAL A 14 -0.190 6.556 -2.016 1.00 0.00 H new ATOM 0 HA VAL A 14 2.665 7.062 -2.208 1.00 0.00 H new ATOM 0 HB VAL A 14 1.093 5.717 -4.445 1.00 0.00 H new ATOM 0 HG11 VAL A 14 3.195 5.831 -5.720 1.00 0.00 H new ATOM 0 HG12 VAL A 14 2.580 7.451 -5.314 1.00 0.00 H new ATOM 0 HG13 VAL A 14 3.941 6.761 -4.399 1.00 0.00 H new ATOM 0 HG21 VAL A 14 2.758 3.917 -4.220 1.00 0.00 H new ATOM 0 HG22 VAL A 14 3.485 4.769 -2.837 1.00 0.00 H new ATOM 0 HG23 VAL A 14 1.823 4.144 -2.722 1.00 0.00 H new ATOM 167 N CYS A 15 -0.031 8.231 -3.724 1.00 0.00 N ATOM 168 CA CYS A 15 -0.636 9.431 -4.289 1.00 0.00 C ATOM 169 C CYS A 15 -1.758 9.948 -3.393 1.00 0.00 C ATOM 170 O CYS A 15 -2.098 11.130 -3.426 1.00 0.00 O ATOM 171 CB CYS A 15 -1.178 9.144 -5.690 1.00 0.00 C ATOM 172 SG CYS A 15 -2.557 7.953 -5.724 1.00 0.00 S ATOM 0 H CYS A 15 -0.661 7.431 -3.661 1.00 0.00 H new ATOM 0 HA CYS A 15 0.135 10.199 -4.356 1.00 0.00 H new ATOM 0 HB2 CYS A 15 -1.510 10.080 -6.139 1.00 0.00 H new ATOM 0 HB3 CYS A 15 -0.367 8.763 -6.311 1.00 0.00 H new ATOM 177 N ARG A 16 -2.330 9.052 -2.594 1.00 0.00 N ATOM 178 CA ARG A 16 -3.414 9.416 -1.690 1.00 0.00 C ATOM 179 C ARG A 16 -4.638 9.887 -2.471 1.00 0.00 C ATOM 180 O ARG A 16 -4.835 11.085 -2.675 1.00 0.00 O ATOM 181 CB ARG A 16 -2.957 10.514 -0.727 1.00 0.00 C ATOM 182 CG ARG A 16 -1.592 10.254 -0.111 1.00 0.00 C ATOM 183 CD ARG A 16 -1.571 10.613 1.366 1.00 0.00 C ATOM 184 NE ARG A 16 -0.347 10.160 2.022 1.00 0.00 N ATOM 185 CZ ARG A 16 -0.139 10.247 3.331 1.00 0.00 C ATOM 186 NH1 ARG A 16 -1.069 10.766 4.120 1.00 0.00 N ATOM 187 NH2 ARG A 16 1.001 9.812 3.854 1.00 0.00 N ATOM 0 H ARG A 16 -2.060 8.069 -2.555 1.00 0.00 H new ATOM 0 HA ARG A 16 -3.688 8.530 -1.117 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -2.931 11.465 -1.259 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -3.693 10.615 0.071 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -1.330 9.203 -0.235 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -0.836 10.836 -0.639 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -1.664 11.693 1.478 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -2.434 10.166 1.860 1.00 0.00 H new ATOM 0 HE ARG A 16 0.388 9.755 1.443 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -1.947 11.100 3.722 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -0.907 10.832 5.125 1.00 0.00 H new ATOM 0 HH21 ARG A 16 1.719 9.410 3.250 1.00 0.00 H new ATOM 0 HH22 ARG A 16 1.159 9.879 4.859 1.00 0.00 H new ATOM 201 N LYS A 17 -5.457 8.936 -2.906 1.00 0.00 N ATOM 202 CA LYS A 17 -6.662 9.251 -3.664 1.00 0.00 C ATOM 203 C LYS A 17 -7.809 8.324 -3.274 1.00 0.00 C ATOM 204 O LYS A 17 -7.646 7.441 -2.432 1.00 0.00 O ATOM 205 CB LYS A 17 -6.389 9.137 -5.166 1.00 0.00 C ATOM 206 CG LYS A 17 -6.213 10.479 -5.856 1.00 0.00 C ATOM 207 CD LYS A 17 -7.552 11.141 -6.138 1.00 0.00 C ATOM 208 CE LYS A 17 -7.454 12.125 -7.293 1.00 0.00 C ATOM 209 NZ LYS A 17 -8.600 11.991 -8.235 1.00 0.00 N ATOM 0 H LYS A 17 -5.308 7.940 -2.746 1.00 0.00 H new ATOM 0 HA LYS A 17 -6.950 10.276 -3.429 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -5.491 8.539 -5.319 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -7.213 8.601 -5.637 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -5.607 11.134 -5.230 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -5.671 10.340 -6.791 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -8.295 10.378 -6.371 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -7.898 11.660 -5.244 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -7.422 13.142 -6.902 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -6.520 11.961 -7.831 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -8.496 12.679 -9.008 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -8.616 11.028 -8.628 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -9.490 12.172 -7.728 1.00 0.00 H new ATOM 223 N SER A 18 -8.967 8.531 -3.892 1.00 0.00 N ATOM 224 CA SER A 18 -10.141 7.715 -3.607 1.00 0.00 C ATOM 225 C SER A 18 -10.366 6.683 -4.708 1.00 0.00 C ATOM 226 O SER A 18 -9.644 6.653 -5.703 1.00 0.00 O ATOM 227 CB SER A 18 -11.381 8.600 -3.461 1.00 0.00 C ATOM 228 OG SER A 18 -12.150 8.601 -4.651 1.00 0.00 O ATOM 0 H SER A 18 -9.117 9.257 -4.593 1.00 0.00 H new ATOM 0 HA SER A 18 -9.967 7.188 -2.669 1.00 0.00 H new ATOM 0 HB2 SER A 18 -11.991 8.243 -2.631 1.00 0.00 H new ATOM 0 HB3 SER A 18 -11.078 9.619 -3.219 1.00 0.00 H new ATOM 0 HG SER A 18 -12.937 9.172 -4.531 1.00 0.00 H new ATOM 234 N GLY A 19 -11.374 5.836 -4.520 1.00 0.00 N ATOM 235 CA GLY A 19 -11.677 4.814 -5.504 1.00 0.00 C ATOM 236 C GLY A 19 -11.402 3.415 -4.990 1.00 0.00 C ATOM 237 O GLY A 19 -11.573 3.138 -3.804 1.00 0.00 O ATOM 0 H GLY A 19 -11.986 5.840 -3.704 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -12.725 4.892 -5.793 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -11.084 4.991 -6.402 1.00 0.00 H new ATOM 241 N GLN A 20 -10.975 2.530 -5.886 1.00 0.00 N ATOM 242 CA GLN A 20 -10.678 1.152 -5.516 1.00 0.00 C ATOM 243 C GLN A 20 -9.197 0.982 -5.193 1.00 0.00 C ATOM 244 O GLN A 20 -8.332 1.436 -5.943 1.00 0.00 O ATOM 245 CB GLN A 20 -11.078 0.201 -6.646 1.00 0.00 C ATOM 246 CG GLN A 20 -12.535 -0.230 -6.591 1.00 0.00 C ATOM 247 CD GLN A 20 -12.714 -1.716 -6.832 1.00 0.00 C ATOM 248 OE1 GLN A 20 -12.963 -2.149 -7.958 1.00 0.00 O ATOM 249 NE2 GLN A 20 -12.588 -2.507 -5.773 1.00 0.00 N ATOM 0 H GLN A 20 -10.827 2.743 -6.872 1.00 0.00 H new ATOM 0 HA GLN A 20 -11.256 0.909 -4.624 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -10.887 0.687 -7.603 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -10.444 -0.685 -6.606 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -12.950 0.029 -5.617 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -13.103 0.326 -7.337 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -12.381 -2.106 -4.858 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -12.698 -3.516 -5.874 1.00 0.00 H new ATOM 258 N LEU A 21 -8.913 0.325 -4.074 1.00 0.00 N ATOM 259 CA LEU A 21 -7.536 0.095 -3.651 1.00 0.00 C ATOM 260 C LEU A 21 -7.307 -1.375 -3.315 1.00 0.00 C ATOM 261 O LEU A 21 -8.211 -2.060 -2.834 1.00 0.00 O ATOM 262 CB LEU A 21 -7.202 0.965 -2.438 1.00 0.00 C ATOM 263 CG LEU A 21 -6.459 2.269 -2.730 1.00 0.00 C ATOM 264 CD1 LEU A 21 -6.812 3.328 -1.698 1.00 0.00 C ATOM 265 CD2 LEU A 21 -4.956 2.031 -2.760 1.00 0.00 C ATOM 0 H LEU A 21 -9.617 -0.058 -3.443 1.00 0.00 H new ATOM 0 HA LEU A 21 -6.879 0.366 -4.477 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -8.132 1.208 -1.923 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -6.600 0.374 -1.747 1.00 0.00 H new ATOM 0 HG LEU A 21 -6.770 2.630 -3.711 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -6.273 4.249 -1.923 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -7.885 3.519 -1.725 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -6.531 2.976 -0.705 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -4.443 2.970 -2.969 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -4.629 1.646 -1.794 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -4.718 1.306 -3.539 1.00 0.00 H new ATOM 277 N LEU A 22 -6.094 -1.853 -3.570 1.00 0.00 N ATOM 278 CA LEU A 22 -5.746 -3.242 -3.292 1.00 0.00 C ATOM 279 C LEU A 22 -5.458 -3.446 -1.808 1.00 0.00 C ATOM 280 O LEU A 22 -5.056 -2.515 -1.111 1.00 0.00 O ATOM 281 CB LEU A 22 -4.529 -3.658 -4.121 1.00 0.00 C ATOM 282 CG LEU A 22 -4.408 -5.151 -4.432 1.00 0.00 C ATOM 283 CD1 LEU A 22 -5.598 -5.623 -5.253 1.00 0.00 C ATOM 284 CD2 LEU A 22 -3.105 -5.438 -5.164 1.00 0.00 C ATOM 0 H LEU A 22 -5.335 -1.300 -3.969 1.00 0.00 H new ATOM 0 HA LEU A 22 -6.597 -3.866 -3.566 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -4.552 -3.111 -5.064 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -3.629 -3.343 -3.592 1.00 0.00 H new ATOM 0 HG LEU A 22 -4.402 -5.700 -3.491 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -5.495 -6.687 -5.465 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -6.517 -5.452 -4.693 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -5.636 -5.069 -6.191 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -3.035 -6.505 -5.378 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -3.082 -4.878 -6.099 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -2.263 -5.137 -4.540 1.00 0.00 H new ATOM 296 N MET A 23 -5.666 -4.669 -1.333 1.00 0.00 N ATOM 297 CA MET A 23 -5.426 -4.995 0.068 1.00 0.00 C ATOM 298 C MET A 23 -4.367 -6.086 0.198 1.00 0.00 C ATOM 299 O MET A 23 -4.392 -7.079 -0.528 1.00 0.00 O ATOM 300 CB MET A 23 -6.725 -5.447 0.738 1.00 0.00 C ATOM 301 CG MET A 23 -7.855 -4.438 0.616 1.00 0.00 C ATOM 302 SD MET A 23 -9.277 -4.860 1.640 1.00 0.00 S ATOM 303 CE MET A 23 -9.015 -3.780 3.045 1.00 0.00 C ATOM 0 H MET A 23 -6.000 -5.451 -1.897 1.00 0.00 H new ATOM 0 HA MET A 23 -5.061 -4.097 0.567 1.00 0.00 H new ATOM 0 HB2 MET A 23 -7.043 -6.391 0.296 1.00 0.00 H new ATOM 0 HB3 MET A 23 -6.532 -5.638 1.794 1.00 0.00 H new ATOM 0 HG2 MET A 23 -7.488 -3.452 0.900 1.00 0.00 H new ATOM 0 HG3 MET A 23 -8.169 -4.374 -0.426 1.00 0.00 H new ATOM 0 HE1 MET A 23 -9.816 -3.925 3.770 1.00 0.00 H new ATOM 0 HE2 MET A 23 -8.058 -4.014 3.511 1.00 0.00 H new ATOM 0 HE3 MET A 23 -9.011 -2.743 2.711 1.00 0.00 H new ATOM 313 N CYS A 24 -3.437 -5.893 1.128 1.00 0.00 N ATOM 314 CA CYS A 24 -2.369 -6.859 1.354 1.00 0.00 C ATOM 315 C CYS A 24 -2.855 -8.015 2.222 1.00 0.00 C ATOM 316 O CYS A 24 -3.675 -7.828 3.122 1.00 0.00 O ATOM 317 CB CYS A 24 -1.169 -6.179 2.016 1.00 0.00 C ATOM 318 SG CYS A 24 0.248 -7.286 2.305 1.00 0.00 S ATOM 0 H CYS A 24 -3.402 -5.076 1.737 1.00 0.00 H new ATOM 0 HA CYS A 24 -2.064 -7.258 0.387 1.00 0.00 H new ATOM 0 HB2 CYS A 24 -0.845 -5.348 1.390 1.00 0.00 H new ATOM 0 HB3 CYS A 24 -1.485 -5.755 2.969 1.00 0.00 H new ATOM 323 N ASP A 25 -2.344 -9.210 1.947 1.00 0.00 N ATOM 324 CA ASP A 25 -2.725 -10.397 2.704 1.00 0.00 C ATOM 325 C ASP A 25 -1.724 -10.673 3.822 1.00 0.00 C ATOM 326 O ASP A 25 -1.343 -11.820 4.060 1.00 0.00 O ATOM 327 CB ASP A 25 -2.820 -11.610 1.777 1.00 0.00 C ATOM 328 CG ASP A 25 -3.949 -12.546 2.163 1.00 0.00 C ATOM 329 OD1 ASP A 25 -4.201 -12.704 3.376 1.00 0.00 O ATOM 330 OD2 ASP A 25 -4.581 -13.120 1.252 1.00 0.00 O ATOM 0 H ASP A 25 -1.665 -9.383 1.206 1.00 0.00 H new ATOM 0 HA ASP A 25 -3.702 -10.214 3.152 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -2.968 -11.270 0.752 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -1.876 -12.155 1.799 1.00 0.00 H new ATOM 335 N THR A 26 -1.300 -9.614 4.505 1.00 0.00 N ATOM 336 CA THR A 26 -0.342 -9.741 5.596 1.00 0.00 C ATOM 337 C THR A 26 -0.393 -8.528 6.517 1.00 0.00 C ATOM 338 O THR A 26 -0.779 -8.635 7.681 1.00 0.00 O ATOM 339 CB THR A 26 1.094 -9.909 5.065 1.00 0.00 C ATOM 340 OG1 THR A 26 1.085 -9.958 3.634 1.00 0.00 O ATOM 341 CG2 THR A 26 1.731 -11.175 5.618 1.00 0.00 C ATOM 0 H THR A 26 -1.605 -8.658 4.321 1.00 0.00 H new ATOM 0 HA THR A 26 -0.620 -10.632 6.159 1.00 0.00 H new ATOM 0 HB THR A 26 1.682 -9.052 5.394 1.00 0.00 H new ATOM 0 HG1 THR A 26 0.937 -9.057 3.277 1.00 0.00 H new ATOM 0 HG21 THR A 26 2.745 -11.272 5.229 1.00 0.00 H new ATOM 0 HG22 THR A 26 1.764 -11.120 6.706 1.00 0.00 H new ATOM 0 HG23 THR A 26 1.142 -12.041 5.316 1.00 0.00 H new ATOM 349 N CYS A 27 -0.003 -7.373 5.988 1.00 0.00 N ATOM 350 CA CYS A 27 -0.004 -6.137 6.762 1.00 0.00 C ATOM 351 C CYS A 27 -1.335 -5.406 6.617 1.00 0.00 C ATOM 352 O CYS A 27 -2.294 -5.944 6.064 1.00 0.00 O ATOM 353 CB CYS A 27 1.141 -5.228 6.313 1.00 0.00 C ATOM 354 SG CYS A 27 0.945 -4.561 4.630 1.00 0.00 S ATOM 0 H CYS A 27 0.318 -7.267 5.026 1.00 0.00 H new ATOM 0 HA CYS A 27 0.137 -6.395 7.812 1.00 0.00 H new ATOM 0 HB2 CYS A 27 1.227 -4.397 7.014 1.00 0.00 H new ATOM 0 HB3 CYS A 27 2.076 -5.787 6.364 1.00 0.00 H new ATOM 359 N SER A 28 -1.386 -4.175 7.118 1.00 0.00 N ATOM 360 CA SER A 28 -2.600 -3.371 7.047 1.00 0.00 C ATOM 361 C SER A 28 -2.366 -2.104 6.229 1.00 0.00 C ATOM 362 O SER A 28 -2.512 -0.991 6.734 1.00 0.00 O ATOM 363 CB SER A 28 -3.075 -3.002 8.454 1.00 0.00 C ATOM 364 OG SER A 28 -3.073 -4.134 9.306 1.00 0.00 O ATOM 0 H SER A 28 -0.601 -3.714 7.577 1.00 0.00 H new ATOM 0 HA SER A 28 -3.371 -3.964 6.554 1.00 0.00 H new ATOM 0 HB2 SER A 28 -2.428 -2.230 8.869 1.00 0.00 H new ATOM 0 HB3 SER A 28 -4.080 -2.583 8.404 1.00 0.00 H new ATOM 0 HG SER A 28 -3.379 -3.872 10.199 1.00 0.00 H new ATOM 370 N ARG A 29 -2.002 -2.284 4.964 1.00 0.00 N ATOM 371 CA ARG A 29 -1.746 -1.157 4.075 1.00 0.00 C ATOM 372 C ARG A 29 -2.432 -1.360 2.728 1.00 0.00 C ATOM 373 O ARG A 29 -2.677 -2.491 2.308 1.00 0.00 O ATOM 374 CB ARG A 29 -0.241 -0.973 3.870 1.00 0.00 C ATOM 375 CG ARG A 29 0.533 -0.795 5.166 1.00 0.00 C ATOM 376 CD ARG A 29 0.674 0.674 5.533 1.00 0.00 C ATOM 377 NE ARG A 29 1.734 0.895 6.513 1.00 0.00 N ATOM 378 CZ ARG A 29 2.026 2.085 7.024 1.00 0.00 C ATOM 379 NH1 ARG A 29 1.340 3.157 6.652 1.00 0.00 N ATOM 380 NH2 ARG A 29 3.006 2.205 7.911 1.00 0.00 N ATOM 0 H ARG A 29 -1.878 -3.199 4.531 1.00 0.00 H new ATOM 0 HA ARG A 29 -2.155 -0.260 4.540 1.00 0.00 H new ATOM 0 HB2 ARG A 29 0.153 -1.839 3.337 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -0.073 -0.104 3.234 1.00 0.00 H new ATOM 0 HG2 ARG A 29 0.024 -1.325 5.971 1.00 0.00 H new ATOM 0 HG3 ARG A 29 1.522 -1.243 5.065 1.00 0.00 H new ATOM 0 HD2 ARG A 29 0.885 1.253 4.634 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -0.272 1.040 5.933 1.00 0.00 H new ATOM 0 HE ARG A 29 2.280 0.091 6.822 1.00 0.00 H new ATOM 0 HH11 ARG A 29 0.585 3.069 5.971 1.00 0.00 H new ATOM 0 HH12 ARG A 29 1.567 4.070 7.047 1.00 0.00 H new ATOM 0 HH21 ARG A 29 3.535 1.383 8.200 1.00 0.00 H new ATOM 0 HH22 ARG A 29 3.230 3.120 8.303 1.00 0.00 H new ATOM 394 N VAL A 30 -2.741 -0.256 2.054 1.00 0.00 N ATOM 395 CA VAL A 30 -3.399 -0.313 0.755 1.00 0.00 C ATOM 396 C VAL A 30 -2.571 0.396 -0.312 1.00 0.00 C ATOM 397 O VAL A 30 -1.999 1.458 -0.064 1.00 0.00 O ATOM 398 CB VAL A 30 -4.801 0.323 0.807 1.00 0.00 C ATOM 399 CG1 VAL A 30 -5.706 -0.458 1.748 1.00 0.00 C ATOM 400 CG2 VAL A 30 -4.709 1.781 1.230 1.00 0.00 C ATOM 0 H VAL A 30 -2.546 0.688 2.387 1.00 0.00 H new ATOM 0 HA VAL A 30 -3.496 -1.367 0.496 1.00 0.00 H new ATOM 0 HB VAL A 30 -5.236 0.286 -0.192 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -6.692 0.005 1.772 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -5.797 -1.486 1.396 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -5.278 -0.454 2.751 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -5.709 2.215 1.261 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -4.254 1.845 2.219 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -4.098 2.330 0.514 1.00 0.00 H new ATOM 410 N TYR A 31 -2.513 -0.197 -1.499 1.00 0.00 N ATOM 411 CA TYR A 31 -1.753 0.376 -2.603 1.00 0.00 C ATOM 412 C TYR A 31 -2.502 0.212 -3.922 1.00 0.00 C ATOM 413 O TYR A 31 -3.032 -0.859 -4.220 1.00 0.00 O ATOM 414 CB TYR A 31 -0.377 -0.283 -2.700 1.00 0.00 C ATOM 415 CG TYR A 31 0.398 -0.262 -1.401 1.00 0.00 C ATOM 416 CD1 TYR A 31 1.170 0.837 -1.048 1.00 0.00 C ATOM 417 CD2 TYR A 31 0.356 -1.341 -0.527 1.00 0.00 C ATOM 418 CE1 TYR A 31 1.880 0.861 0.137 1.00 0.00 C ATOM 419 CE2 TYR A 31 1.061 -1.326 0.661 1.00 0.00 C ATOM 420 CZ TYR A 31 1.822 -0.223 0.988 1.00 0.00 C ATOM 421 OH TYR A 31 2.526 -0.203 2.170 1.00 0.00 O ATOM 0 H TYR A 31 -2.983 -1.074 -1.721 1.00 0.00 H new ATOM 0 HA TYR A 31 -1.625 1.441 -2.408 1.00 0.00 H new ATOM 0 HB2 TYR A 31 -0.501 -1.317 -3.023 1.00 0.00 H new ATOM 0 HB3 TYR A 31 0.206 0.224 -3.469 1.00 0.00 H new ATOM 0 HD1 TYR A 31 1.216 1.688 -1.711 1.00 0.00 H new ATOM 0 HD2 TYR A 31 -0.238 -2.207 -0.781 1.00 0.00 H new ATOM 0 HE1 TYR A 31 2.477 1.723 0.395 1.00 0.00 H new ATOM 0 HE2 TYR A 31 1.017 -2.173 1.330 1.00 0.00 H new ATOM 0 HH TYR A 31 2.377 -1.042 2.654 1.00 0.00 H new ATOM 431 N HIS A 32 -2.541 1.282 -4.710 1.00 0.00 N ATOM 432 CA HIS A 32 -3.223 1.258 -5.999 1.00 0.00 C ATOM 433 C HIS A 32 -2.652 0.164 -6.896 1.00 0.00 C ATOM 434 O HIS A 32 -1.739 -0.562 -6.502 1.00 0.00 O ATOM 435 CB HIS A 32 -3.100 2.617 -6.690 1.00 0.00 C ATOM 436 CG HIS A 32 -4.175 3.585 -6.303 1.00 0.00 C ATOM 437 ND1 HIS A 32 -4.033 4.952 -6.416 1.00 0.00 N ATOM 438 CD2 HIS A 32 -5.416 3.377 -5.803 1.00 0.00 C ATOM 439 CE1 HIS A 32 -5.139 5.543 -6.001 1.00 0.00 C ATOM 440 NE2 HIS A 32 -5.994 4.610 -5.624 1.00 0.00 N ATOM 0 H HIS A 32 -2.108 2.176 -4.478 1.00 0.00 H new ATOM 0 HA HIS A 32 -4.277 1.043 -5.821 1.00 0.00 H new ATOM 0 HB2 HIS A 32 -2.129 3.050 -6.451 1.00 0.00 H new ATOM 0 HB3 HIS A 32 -3.126 2.470 -7.770 1.00 0.00 H new ATOM 0 HD2 HIS A 32 -5.867 2.420 -5.586 1.00 0.00 H new ATOM 0 HE1 HIS A 32 -5.314 6.608 -5.975 1.00 0.00 H new ATOM 0 HE2 HIS A 32 -6.932 4.778 -5.259 1.00 0.00 H new ATOM 448 N LEU A 33 -3.195 0.052 -8.103 1.00 0.00 N ATOM 449 CA LEU A 33 -2.740 -0.955 -9.056 1.00 0.00 C ATOM 450 C LEU A 33 -1.630 -0.401 -9.943 1.00 0.00 C ATOM 451 O LEU A 33 -0.806 -1.153 -10.465 1.00 0.00 O ATOM 452 CB LEU A 33 -3.909 -1.432 -9.920 1.00 0.00 C ATOM 453 CG LEU A 33 -4.750 -2.571 -9.341 1.00 0.00 C ATOM 454 CD1 LEU A 33 -5.924 -2.885 -10.255 1.00 0.00 C ATOM 455 CD2 LEU A 33 -3.893 -3.810 -9.124 1.00 0.00 C ATOM 0 H LEU A 33 -3.951 0.646 -8.445 1.00 0.00 H new ATOM 0 HA LEU A 33 -2.343 -1.800 -8.494 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -4.565 -0.582 -10.109 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -3.515 -1.752 -10.885 1.00 0.00 H new ATOM 0 HG LEU A 33 -5.143 -2.253 -8.375 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -6.511 -3.698 -9.827 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -6.551 -2.000 -10.359 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -5.552 -3.183 -11.235 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -4.508 -4.610 -8.712 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -3.470 -4.131 -10.076 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -3.086 -3.577 -8.429 1.00 0.00 H new ATOM 467 N ASP A 34 -1.613 0.917 -10.108 1.00 0.00 N ATOM 468 CA ASP A 34 -0.601 1.571 -10.930 1.00 0.00 C ATOM 469 C ASP A 34 0.487 2.193 -10.060 1.00 0.00 C ATOM 470 O ASP A 34 1.589 2.472 -10.531 1.00 0.00 O ATOM 471 CB ASP A 34 -1.244 2.645 -11.809 1.00 0.00 C ATOM 472 CG ASP A 34 -2.015 2.055 -12.974 1.00 0.00 C ATOM 473 OD1 ASP A 34 -1.752 0.887 -13.327 1.00 0.00 O ATOM 474 OD2 ASP A 34 -2.880 2.762 -13.532 1.00 0.00 O ATOM 0 H ASP A 34 -2.288 1.553 -9.684 1.00 0.00 H new ATOM 0 HA ASP A 34 -0.143 0.816 -11.569 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -1.916 3.252 -11.203 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -0.469 3.311 -12.190 1.00 0.00 H new ATOM 479 N CYS A 35 0.168 2.408 -8.788 1.00 0.00 N ATOM 480 CA CYS A 35 1.117 2.999 -7.851 1.00 0.00 C ATOM 481 C CYS A 35 1.793 1.920 -7.010 1.00 0.00 C ATOM 482 O CYS A 35 1.715 1.936 -5.780 1.00 0.00 O ATOM 483 CB CYS A 35 0.408 4.002 -6.939 1.00 0.00 C ATOM 484 SG CYS A 35 -0.674 5.173 -7.821 1.00 0.00 S ATOM 0 H CYS A 35 -0.740 2.182 -8.382 1.00 0.00 H new ATOM 0 HA CYS A 35 1.882 3.520 -8.427 1.00 0.00 H new ATOM 0 HB2 CYS A 35 -0.187 3.455 -6.208 1.00 0.00 H new ATOM 0 HB3 CYS A 35 1.158 4.565 -6.383 1.00 0.00 H new ATOM 489 N LEU A 36 2.457 0.985 -7.680 1.00 0.00 N ATOM 490 CA LEU A 36 3.148 -0.102 -6.995 1.00 0.00 C ATOM 491 C LEU A 36 4.634 -0.106 -7.341 1.00 0.00 C ATOM 492 O LEU A 36 5.110 0.749 -8.087 1.00 0.00 O ATOM 493 CB LEU A 36 2.522 -1.446 -7.368 1.00 0.00 C ATOM 494 CG LEU A 36 1.219 -1.802 -6.651 1.00 0.00 C ATOM 495 CD1 LEU A 36 0.688 -3.140 -7.141 1.00 0.00 C ATOM 496 CD2 LEU A 36 1.429 -1.829 -5.144 1.00 0.00 C ATOM 0 H LEU A 36 2.532 0.957 -8.697 1.00 0.00 H new ATOM 0 HA LEU A 36 3.044 0.054 -5.921 1.00 0.00 H new ATOM 0 HB2 LEU A 36 2.336 -1.452 -8.442 1.00 0.00 H new ATOM 0 HB3 LEU A 36 3.250 -2.232 -7.167 1.00 0.00 H new ATOM 0 HG LEU A 36 0.480 -1.035 -6.881 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -0.239 -3.376 -6.619 1.00 0.00 H new ATOM 0 HD12 LEU A 36 0.498 -3.085 -8.213 1.00 0.00 H new ATOM 0 HD13 LEU A 36 1.425 -3.919 -6.942 1.00 0.00 H new ATOM 0 HD21 LEU A 36 0.491 -2.084 -4.650 1.00 0.00 H new ATOM 0 HD22 LEU A 36 2.184 -2.574 -4.895 1.00 0.00 H new ATOM 0 HD23 LEU A 36 1.762 -0.848 -4.805 1.00 0.00 H new ATOM 508 N ASP A 37 5.360 -1.076 -6.796 1.00 0.00 N ATOM 509 CA ASP A 37 6.791 -1.195 -7.050 1.00 0.00 C ATOM 510 C ASP A 37 7.233 -2.654 -6.998 1.00 0.00 C ATOM 511 O ASP A 37 7.499 -3.210 -5.932 1.00 0.00 O ATOM 512 CB ASP A 37 7.581 -0.373 -6.030 1.00 0.00 C ATOM 513 CG ASP A 37 7.663 1.093 -6.406 1.00 0.00 C ATOM 514 OD1 ASP A 37 8.074 1.391 -7.547 1.00 0.00 O ATOM 515 OD2 ASP A 37 7.316 1.944 -5.560 1.00 0.00 O ATOM 0 H ASP A 37 4.981 -1.791 -6.175 1.00 0.00 H new ATOM 0 HA ASP A 37 6.991 -0.809 -8.050 1.00 0.00 H new ATOM 0 HB2 ASP A 37 7.113 -0.468 -5.050 1.00 0.00 H new ATOM 0 HB3 ASP A 37 8.589 -0.779 -5.942 1.00 0.00 H new ATOM 520 N PRO A 38 7.313 -3.290 -8.176 1.00 0.00 N ATOM 521 CA PRO A 38 6.999 -2.639 -9.451 1.00 0.00 C ATOM 522 C PRO A 38 5.510 -2.345 -9.600 1.00 0.00 C ATOM 523 O PRO A 38 4.678 -2.826 -8.831 1.00 0.00 O ATOM 524 CB PRO A 38 7.448 -3.665 -10.494 1.00 0.00 C ATOM 525 CG PRO A 38 7.376 -4.976 -9.791 1.00 0.00 C ATOM 526 CD PRO A 38 7.717 -4.695 -8.354 1.00 0.00 C ATOM 0 HA PRO A 38 7.491 -1.671 -9.546 1.00 0.00 H new ATOM 0 HB2 PRO A 38 6.799 -3.649 -11.370 1.00 0.00 H new ATOM 0 HB3 PRO A 38 8.460 -3.458 -10.843 1.00 0.00 H new ATOM 0 HG2 PRO A 38 6.380 -5.411 -9.878 1.00 0.00 H new ATOM 0 HG3 PRO A 38 8.075 -5.691 -10.225 1.00 0.00 H new ATOM 0 HD2 PRO A 38 7.178 -5.357 -7.676 1.00 0.00 H new ATOM 0 HD3 PRO A 38 8.780 -4.835 -8.158 1.00 0.00 H new ATOM 534 N PRO A 39 5.164 -1.536 -10.612 1.00 0.00 N ATOM 535 CA PRO A 39 3.774 -1.161 -10.886 1.00 0.00 C ATOM 536 C PRO A 39 2.950 -2.332 -11.411 1.00 0.00 C ATOM 537 O PRO A 39 3.490 -3.273 -11.994 1.00 0.00 O ATOM 538 CB PRO A 39 3.903 -0.076 -11.958 1.00 0.00 C ATOM 539 CG PRO A 39 5.202 -0.362 -12.631 1.00 0.00 C ATOM 540 CD PRO A 39 6.103 -0.926 -11.568 1.00 0.00 C ATOM 0 HA PRO A 39 3.257 -0.830 -9.985 1.00 0.00 H new ATOM 0 HB2 PRO A 39 3.074 -0.116 -12.664 1.00 0.00 H new ATOM 0 HB3 PRO A 39 3.897 0.920 -11.516 1.00 0.00 H new ATOM 0 HG2 PRO A 39 5.070 -1.072 -13.448 1.00 0.00 H new ATOM 0 HG3 PRO A 39 5.626 0.545 -13.062 1.00 0.00 H new ATOM 0 HD2 PRO A 39 6.795 -1.662 -11.977 1.00 0.00 H new ATOM 0 HD3 PRO A 39 6.706 -0.149 -11.098 1.00 0.00 H new ATOM 548 N LEU A 40 1.640 -2.268 -11.200 1.00 0.00 N ATOM 549 CA LEU A 40 0.740 -3.324 -11.653 1.00 0.00 C ATOM 550 C LEU A 40 -0.263 -2.787 -12.669 1.00 0.00 C ATOM 551 O LEU A 40 -0.258 -1.599 -12.994 1.00 0.00 O ATOM 552 CB LEU A 40 -0.001 -3.935 -10.462 1.00 0.00 C ATOM 553 CG LEU A 40 0.550 -5.261 -9.937 1.00 0.00 C ATOM 554 CD1 LEU A 40 -0.260 -5.740 -8.742 1.00 0.00 C ATOM 555 CD2 LEU A 40 0.551 -6.311 -11.039 1.00 0.00 C ATOM 0 H LEU A 40 1.177 -1.497 -10.719 1.00 0.00 H new ATOM 0 HA LEU A 40 1.340 -4.096 -12.136 1.00 0.00 H new ATOM 0 HB2 LEU A 40 0.007 -3.213 -9.646 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -1.043 -4.084 -10.746 1.00 0.00 H new ATOM 0 HG LEU A 40 1.578 -5.103 -9.612 1.00 0.00 H new ATOM 0 HD11 LEU A 40 0.147 -6.685 -8.382 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -0.209 -4.997 -7.947 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -1.299 -5.882 -9.040 1.00 0.00 H new ATOM 0 HD21 LEU A 40 0.946 -7.249 -10.648 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -0.468 -6.467 -11.394 1.00 0.00 H new ATOM 0 HD23 LEU A 40 1.175 -5.971 -11.865 1.00 0.00 H new ATOM 567 N LYS A 41 -1.123 -3.669 -13.167 1.00 0.00 N ATOM 568 CA LYS A 41 -2.134 -3.284 -14.144 1.00 0.00 C ATOM 569 C LYS A 41 -3.469 -3.957 -13.839 1.00 0.00 C ATOM 570 O LYS A 41 -4.413 -3.312 -13.383 1.00 0.00 O ATOM 571 CB LYS A 41 -1.675 -3.653 -15.556 1.00 0.00 C ATOM 572 CG LYS A 41 -2.716 -3.373 -16.627 1.00 0.00 C ATOM 573 CD LYS A 41 -3.084 -1.899 -16.674 1.00 0.00 C ATOM 574 CE LYS A 41 -3.607 -1.500 -18.045 1.00 0.00 C ATOM 575 NZ LYS A 41 -4.775 -0.580 -17.947 1.00 0.00 N ATOM 0 H LYS A 41 -1.140 -4.656 -12.910 1.00 0.00 H new ATOM 0 HA LYS A 41 -2.269 -2.204 -14.084 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -0.767 -3.098 -15.790 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -1.417 -4.712 -15.580 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -2.333 -3.685 -17.599 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -3.609 -3.966 -16.432 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -3.841 -1.687 -15.919 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -2.210 -1.296 -16.427 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -2.811 -1.017 -18.611 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -3.894 -2.394 -18.598 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -5.102 -0.331 -18.902 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -5.545 -1.050 -17.429 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -4.495 0.284 -17.441 1.00 0.00 H new ATOM 589 N THR A 42 -3.541 -5.260 -14.094 1.00 0.00 N ATOM 590 CA THR A 42 -4.759 -6.021 -13.846 1.00 0.00 C ATOM 591 C THR A 42 -4.734 -6.665 -12.465 1.00 0.00 C ATOM 592 O THR A 42 -3.844 -6.393 -11.659 1.00 0.00 O ATOM 593 CB THR A 42 -4.961 -7.119 -14.908 1.00 0.00 C ATOM 594 OG1 THR A 42 -4.000 -8.164 -14.722 1.00 0.00 O ATOM 595 CG2 THR A 42 -4.829 -6.545 -16.311 1.00 0.00 C ATOM 0 H THR A 42 -2.770 -5.810 -14.472 1.00 0.00 H new ATOM 0 HA THR A 42 -5.588 -5.316 -13.900 1.00 0.00 H new ATOM 0 HB THR A 42 -5.966 -7.526 -14.792 1.00 0.00 H new ATOM 0 HG1 THR A 42 -4.137 -8.858 -15.400 1.00 0.00 H new ATOM 0 HG21 THR A 42 -4.975 -7.338 -17.044 1.00 0.00 H new ATOM 0 HG22 THR A 42 -5.581 -5.770 -16.459 1.00 0.00 H new ATOM 0 HG23 THR A 42 -3.835 -6.114 -16.436 1.00 0.00 H new ATOM 603 N ILE A 43 -5.716 -7.520 -12.198 1.00 0.00 N ATOM 604 CA ILE A 43 -5.804 -8.204 -10.914 1.00 0.00 C ATOM 605 C ILE A 43 -4.720 -9.267 -10.781 1.00 0.00 C ATOM 606 O ILE A 43 -4.705 -10.268 -11.499 1.00 0.00 O ATOM 607 CB ILE A 43 -7.182 -8.865 -10.722 1.00 0.00 C ATOM 608 CG1 ILE A 43 -8.295 -7.822 -10.848 1.00 0.00 C ATOM 609 CG2 ILE A 43 -7.252 -9.561 -9.371 1.00 0.00 C ATOM 610 CD1 ILE A 43 -8.203 -6.713 -9.823 1.00 0.00 C ATOM 0 H ILE A 43 -6.461 -7.755 -12.854 1.00 0.00 H new ATOM 0 HA ILE A 43 -5.662 -7.447 -10.143 1.00 0.00 H new ATOM 0 HB ILE A 43 -7.321 -9.613 -11.502 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -8.262 -7.386 -11.847 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -9.260 -8.319 -10.748 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -8.232 -10.023 -9.250 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -6.480 -10.328 -9.316 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -7.095 -8.831 -8.577 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -9.023 -6.011 -9.972 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -8.266 -7.137 -8.821 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -7.253 -6.191 -9.936 1.00 0.00 H new ATOM 622 N PRO A 44 -3.789 -9.049 -9.840 1.00 0.00 N ATOM 623 CA PRO A 44 -2.684 -9.979 -9.589 1.00 0.00 C ATOM 624 C PRO A 44 -3.157 -11.284 -8.958 1.00 0.00 C ATOM 625 O PRO A 44 -3.218 -11.408 -7.735 1.00 0.00 O ATOM 626 CB PRO A 44 -1.787 -9.209 -8.617 1.00 0.00 C ATOM 627 CG PRO A 44 -2.702 -8.254 -7.932 1.00 0.00 C ATOM 628 CD PRO A 44 -3.744 -7.878 -8.949 1.00 0.00 C ATOM 0 HA PRO A 44 -2.182 -10.275 -10.510 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -1.309 -9.880 -7.903 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -0.990 -8.685 -9.145 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -3.160 -8.712 -7.055 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -2.160 -7.374 -7.585 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -4.711 -7.690 -8.483 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -3.470 -6.972 -9.489 1.00 0.00 H new ATOM 636 N LYS A 45 -3.490 -12.256 -9.800 1.00 0.00 N ATOM 637 CA LYS A 45 -3.956 -13.554 -9.326 1.00 0.00 C ATOM 638 C LYS A 45 -2.982 -14.144 -8.312 1.00 0.00 C ATOM 639 O LYS A 45 -1.823 -13.738 -8.240 1.00 0.00 O ATOM 640 CB LYS A 45 -4.131 -14.517 -10.502 1.00 0.00 C ATOM 641 CG LYS A 45 -5.583 -14.817 -10.832 1.00 0.00 C ATOM 642 CD LYS A 45 -5.815 -14.862 -12.333 1.00 0.00 C ATOM 643 CE LYS A 45 -6.389 -13.551 -12.848 1.00 0.00 C ATOM 644 NZ LYS A 45 -6.216 -13.410 -14.320 1.00 0.00 N ATOM 0 H LYS A 45 -3.446 -12.170 -10.815 1.00 0.00 H new ATOM 0 HA LYS A 45 -4.919 -13.410 -8.837 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -3.647 -14.094 -11.382 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -3.618 -15.452 -10.275 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -5.868 -15.772 -10.390 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -6.223 -14.056 -10.386 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -4.874 -15.073 -12.841 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -6.497 -15.678 -12.573 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -7.449 -13.496 -12.600 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -5.900 -12.718 -12.343 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -6.620 -12.504 -14.632 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -5.203 -13.436 -14.555 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -6.704 -14.191 -14.803 1.00 0.00 H new ATOM 658 N GLY A 46 -3.460 -15.107 -7.529 1.00 0.00 N ATOM 659 CA GLY A 46 -2.617 -15.739 -6.530 1.00 0.00 C ATOM 660 C GLY A 46 -2.365 -14.842 -5.334 1.00 0.00 C ATOM 661 O GLY A 46 -2.523 -13.625 -5.418 1.00 0.00 O ATOM 0 H GLY A 46 -4.416 -15.461 -7.569 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -3.087 -16.664 -6.195 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -1.664 -16.012 -6.983 1.00 0.00 H new ATOM 665 N MET A 47 -1.972 -15.446 -4.217 1.00 0.00 N ATOM 666 CA MET A 47 -1.698 -14.693 -2.998 1.00 0.00 C ATOM 667 C MET A 47 -0.726 -13.550 -3.273 1.00 0.00 C ATOM 668 O MET A 47 0.477 -13.768 -3.419 1.00 0.00 O ATOM 669 CB MET A 47 -1.126 -15.617 -1.921 1.00 0.00 C ATOM 670 CG MET A 47 -0.851 -14.914 -0.602 1.00 0.00 C ATOM 671 SD MET A 47 -0.402 -16.061 0.716 1.00 0.00 S ATOM 672 CE MET A 47 -0.214 -14.934 2.095 1.00 0.00 C ATOM 0 H MET A 47 -1.836 -16.453 -4.131 1.00 0.00 H new ATOM 0 HA MET A 47 -2.637 -14.270 -2.642 1.00 0.00 H new ATOM 0 HB2 MET A 47 -1.824 -16.436 -1.748 1.00 0.00 H new ATOM 0 HB3 MET A 47 -0.200 -16.059 -2.288 1.00 0.00 H new ATOM 0 HG2 MET A 47 -0.046 -14.192 -0.740 1.00 0.00 H new ATOM 0 HG3 MET A 47 -1.735 -14.351 -0.303 1.00 0.00 H new ATOM 0 HE1 MET A 47 0.064 -15.494 2.988 1.00 0.00 H new ATOM 0 HE2 MET A 47 0.565 -14.206 1.867 1.00 0.00 H new ATOM 0 HE3 MET A 47 -1.156 -14.415 2.271 1.00 0.00 H new ATOM 682 N TRP A 48 -1.255 -12.334 -3.341 1.00 0.00 N ATOM 683 CA TRP A 48 -0.433 -11.157 -3.598 1.00 0.00 C ATOM 684 C TRP A 48 0.046 -10.531 -2.293 1.00 0.00 C ATOM 685 O TRP A 48 -0.659 -10.564 -1.284 1.00 0.00 O ATOM 686 CB TRP A 48 -1.219 -10.128 -4.413 1.00 0.00 C ATOM 687 CG TRP A 48 -0.407 -8.928 -4.797 1.00 0.00 C ATOM 688 CD1 TRP A 48 0.420 -8.810 -5.876 1.00 0.00 C ATOM 689 CD2 TRP A 48 -0.345 -7.678 -4.101 1.00 0.00 C ATOM 690 NE1 TRP A 48 0.994 -7.561 -5.894 1.00 0.00 N ATOM 691 CE2 TRP A 48 0.540 -6.848 -4.817 1.00 0.00 C ATOM 692 CE3 TRP A 48 -0.951 -7.179 -2.946 1.00 0.00 C ATOM 693 CZ2 TRP A 48 0.832 -5.548 -4.412 1.00 0.00 C ATOM 694 CZ3 TRP A 48 -0.660 -5.889 -2.545 1.00 0.00 C ATOM 695 CH2 TRP A 48 0.224 -5.085 -3.277 1.00 0.00 C ATOM 0 H TRP A 48 -2.249 -12.137 -3.222 1.00 0.00 H new ATOM 0 HA TRP A 48 0.440 -11.473 -4.169 1.00 0.00 H new ATOM 0 HB2 TRP A 48 -1.599 -10.605 -5.317 1.00 0.00 H new ATOM 0 HB3 TRP A 48 -2.084 -9.803 -3.836 1.00 0.00 H new ATOM 0 HD1 TRP A 48 0.597 -9.584 -6.608 1.00 0.00 H new ATOM 0 HE1 TRP A 48 1.651 -7.221 -6.596 1.00 0.00 H new ATOM 0 HE3 TRP A 48 -1.635 -7.790 -2.376 1.00 0.00 H new ATOM 0 HZ2 TRP A 48 1.514 -4.927 -4.974 1.00 0.00 H new ATOM 0 HZ3 TRP A 48 -1.122 -5.494 -1.652 1.00 0.00 H new ATOM 0 HH2 TRP A 48 0.429 -4.080 -2.939 1.00 0.00 H new ATOM 706 N ILE A 49 1.247 -9.963 -2.319 1.00 0.00 N ATOM 707 CA ILE A 49 1.818 -9.329 -1.137 1.00 0.00 C ATOM 708 C ILE A 49 2.543 -8.038 -1.502 1.00 0.00 C ATOM 709 O ILE A 49 3.412 -8.027 -2.374 1.00 0.00 O ATOM 710 CB ILE A 49 2.799 -10.269 -0.413 1.00 0.00 C ATOM 711 CG1 ILE A 49 2.148 -11.633 -0.170 1.00 0.00 C ATOM 712 CG2 ILE A 49 3.251 -9.651 0.902 1.00 0.00 C ATOM 713 CD1 ILE A 49 3.088 -12.651 0.436 1.00 0.00 C ATOM 0 H ILE A 49 1.843 -9.929 -3.146 1.00 0.00 H new ATOM 0 HA ILE A 49 0.988 -9.100 -0.469 1.00 0.00 H new ATOM 0 HB ILE A 49 3.675 -10.413 -1.045 1.00 0.00 H new ATOM 0 HG12 ILE A 49 1.290 -11.505 0.490 1.00 0.00 H new ATOM 0 HG13 ILE A 49 1.768 -12.019 -1.116 1.00 0.00 H new ATOM 0 HG21 ILE A 49 3.944 -10.327 1.403 1.00 0.00 H new ATOM 0 HG22 ILE A 49 3.749 -8.701 0.706 1.00 0.00 H new ATOM 0 HG23 ILE A 49 2.384 -9.481 1.541 1.00 0.00 H new ATOM 0 HD11 ILE A 49 2.560 -13.593 0.581 1.00 0.00 H new ATOM 0 HD12 ILE A 49 3.934 -12.808 -0.233 1.00 0.00 H new ATOM 0 HD13 ILE A 49 3.449 -12.286 1.398 1.00 0.00 H new ATOM 725 N CYS A 50 2.182 -6.952 -0.827 1.00 0.00 N ATOM 726 CA CYS A 50 2.799 -5.655 -1.078 1.00 0.00 C ATOM 727 C CYS A 50 4.320 -5.754 -1.011 1.00 0.00 C ATOM 728 O CYS A 50 4.882 -6.620 -0.340 1.00 0.00 O ATOM 729 CB CYS A 50 2.299 -4.625 -0.064 1.00 0.00 C ATOM 730 SG CYS A 50 2.989 -4.832 1.609 1.00 0.00 S ATOM 0 H CYS A 50 1.465 -6.944 -0.102 1.00 0.00 H new ATOM 0 HA CYS A 50 2.517 -5.334 -2.081 1.00 0.00 H new ATOM 0 HB2 CYS A 50 2.544 -3.626 -0.426 1.00 0.00 H new ATOM 0 HB3 CYS A 50 1.212 -4.685 -0.007 1.00 0.00 H new ATOM 735 N PRO A 51 5.004 -4.847 -1.723 1.00 0.00 N ATOM 736 CA PRO A 51 6.469 -4.810 -1.761 1.00 0.00 C ATOM 737 C PRO A 51 7.072 -4.366 -0.433 1.00 0.00 C ATOM 738 O PRO A 51 8.281 -4.467 -0.224 1.00 0.00 O ATOM 739 CB PRO A 51 6.770 -3.783 -2.855 1.00 0.00 C ATOM 740 CG PRO A 51 5.568 -2.904 -2.891 1.00 0.00 C ATOM 741 CD PRO A 51 4.400 -3.786 -2.547 1.00 0.00 C ATOM 0 HA PRO A 51 6.897 -5.794 -1.952 1.00 0.00 H new ATOM 0 HB2 PRO A 51 7.670 -3.213 -2.626 1.00 0.00 H new ATOM 0 HB3 PRO A 51 6.935 -4.267 -3.818 1.00 0.00 H new ATOM 0 HG2 PRO A 51 5.662 -2.085 -2.178 1.00 0.00 H new ATOM 0 HG3 PRO A 51 5.442 -2.456 -3.876 1.00 0.00 H new ATOM 0 HD2 PRO A 51 3.632 -3.240 -1.999 1.00 0.00 H new ATOM 0 HD3 PRO A 51 3.926 -4.192 -3.441 1.00 0.00 H new ATOM 749 N ARG A 52 6.222 -3.874 0.463 1.00 0.00 N ATOM 750 CA ARG A 52 6.672 -3.413 1.771 1.00 0.00 C ATOM 751 C ARG A 52 6.860 -4.589 2.726 1.00 0.00 C ATOM 752 O ARG A 52 7.607 -4.498 3.700 1.00 0.00 O ATOM 753 CB ARG A 52 5.667 -2.420 2.359 1.00 0.00 C ATOM 754 CG ARG A 52 6.207 -1.004 2.474 1.00 0.00 C ATOM 755 CD ARG A 52 6.650 -0.690 3.894 1.00 0.00 C ATOM 756 NE ARG A 52 8.045 -1.055 4.126 1.00 0.00 N ATOM 757 CZ ARG A 52 9.072 -0.409 3.586 1.00 0.00 C ATOM 758 NH1 ARG A 52 8.862 0.629 2.788 1.00 0.00 N ATOM 759 NH2 ARG A 52 10.314 -0.801 3.845 1.00 0.00 N ATOM 0 H ARG A 52 5.218 -3.784 0.307 1.00 0.00 H new ATOM 0 HA ARG A 52 7.632 -2.914 1.642 1.00 0.00 H new ATOM 0 HB2 ARG A 52 4.773 -2.409 1.736 1.00 0.00 H new ATOM 0 HB3 ARG A 52 5.363 -2.765 3.347 1.00 0.00 H new ATOM 0 HG2 ARG A 52 7.049 -0.878 1.793 1.00 0.00 H new ATOM 0 HG3 ARG A 52 5.439 -0.294 2.166 1.00 0.00 H new ATOM 0 HD2 ARG A 52 6.517 0.374 4.088 1.00 0.00 H new ATOM 0 HD3 ARG A 52 6.013 -1.225 4.599 1.00 0.00 H new ATOM 0 HE ARG A 52 8.241 -1.849 4.736 1.00 0.00 H new ATOM 0 HH11 ARG A 52 7.909 0.933 2.587 1.00 0.00 H new ATOM 0 HH12 ARG A 52 9.653 1.123 2.375 1.00 0.00 H new ATOM 0 HH21 ARG A 52 10.480 -1.599 4.459 1.00 0.00 H new ATOM 0 HH22 ARG A 52 11.102 -0.305 3.430 1.00 0.00 H new ATOM 773 N CYS A 53 6.176 -5.692 2.440 1.00 0.00 N ATOM 774 CA CYS A 53 6.266 -6.885 3.273 1.00 0.00 C ATOM 775 C CYS A 53 7.451 -7.751 2.856 1.00 0.00 C ATOM 776 O CYS A 53 8.297 -8.099 3.679 1.00 0.00 O ATOM 777 CB CYS A 53 4.971 -7.695 3.181 1.00 0.00 C ATOM 778 SG CYS A 53 3.659 -7.131 4.311 1.00 0.00 S ATOM 0 H CYS A 53 5.553 -5.784 1.637 1.00 0.00 H new ATOM 0 HA CYS A 53 6.416 -6.567 4.305 1.00 0.00 H new ATOM 0 HB2 CYS A 53 4.599 -7.649 2.158 1.00 0.00 H new ATOM 0 HB3 CYS A 53 5.193 -8.741 3.393 1.00 0.00 H new ATOM 783 N GLN A 54 7.505 -8.093 1.573 1.00 0.00 N ATOM 784 CA GLN A 54 8.586 -8.918 1.048 1.00 0.00 C ATOM 785 C GLN A 54 9.946 -8.338 1.424 1.00 0.00 C ATOM 786 O GLN A 54 10.920 -9.072 1.592 1.00 0.00 O ATOM 787 CB GLN A 54 8.472 -9.038 -0.473 1.00 0.00 C ATOM 788 CG GLN A 54 7.290 -9.877 -0.930 1.00 0.00 C ATOM 789 CD GLN A 54 7.691 -11.286 -1.320 1.00 0.00 C ATOM 790 OE1 GLN A 54 8.431 -11.955 -0.599 1.00 0.00 O ATOM 791 NE2 GLN A 54 7.202 -11.745 -2.467 1.00 0.00 N ATOM 0 H GLN A 54 6.813 -7.812 0.878 1.00 0.00 H new ATOM 0 HA GLN A 54 8.500 -9.910 1.491 1.00 0.00 H new ATOM 0 HB2 GLN A 54 8.386 -8.040 -0.902 1.00 0.00 H new ATOM 0 HB3 GLN A 54 9.390 -9.475 -0.864 1.00 0.00 H new ATOM 0 HG2 GLN A 54 6.550 -9.922 -0.131 1.00 0.00 H new ATOM 0 HG3 GLN A 54 6.811 -9.391 -1.780 1.00 0.00 H new ATOM 0 HE21 GLN A 54 6.592 -11.156 -3.033 1.00 0.00 H new ATOM 0 HE22 GLN A 54 7.437 -12.687 -2.781 1.00 0.00 H new ATOM 800 N ASP A 55 10.004 -7.017 1.553 1.00 0.00 N ATOM 801 CA ASP A 55 11.244 -6.338 1.910 1.00 0.00 C ATOM 802 C ASP A 55 11.527 -6.471 3.403 1.00 0.00 C ATOM 803 O ASP A 55 10.667 -6.905 4.170 1.00 0.00 O ATOM 804 CB ASP A 55 11.171 -4.860 1.522 1.00 0.00 C ATOM 805 CG ASP A 55 11.877 -4.570 0.212 1.00 0.00 C ATOM 806 OD1 ASP A 55 13.051 -4.970 0.070 1.00 0.00 O ATOM 807 OD2 ASP A 55 11.255 -3.943 -0.671 1.00 0.00 O ATOM 0 H ASP A 55 9.207 -6.395 1.416 1.00 0.00 H new ATOM 0 HA ASP A 55 12.059 -6.810 1.361 1.00 0.00 H new ATOM 0 HB2 ASP A 55 10.126 -4.559 1.443 1.00 0.00 H new ATOM 0 HB3 ASP A 55 11.617 -4.257 2.313 1.00 0.00 H new ATOM 812 N GLN A 56 12.736 -6.096 3.807 1.00 0.00 N ATOM 813 CA GLN A 56 13.131 -6.175 5.208 1.00 0.00 C ATOM 814 C GLN A 56 12.760 -4.897 5.952 1.00 0.00 C ATOM 815 O GLN A 56 13.262 -3.830 5.603 1.00 0.00 O ATOM 816 CB GLN A 56 14.636 -6.427 5.322 1.00 0.00 C ATOM 817 CG GLN A 56 14.998 -7.514 6.321 1.00 0.00 C ATOM 818 CD GLN A 56 15.587 -6.957 7.602 1.00 0.00 C ATOM 819 OE1 GLN A 56 14.882 -6.355 8.412 1.00 0.00 O ATOM 820 NE2 GLN A 56 16.886 -7.157 7.791 1.00 0.00 N ATOM 0 H GLN A 56 13.459 -5.735 3.184 1.00 0.00 H new ATOM 0 HA GLN A 56 12.594 -7.007 5.664 1.00 0.00 H new ATOM 0 HB2 GLN A 56 15.025 -6.702 4.342 1.00 0.00 H new ATOM 0 HB3 GLN A 56 15.130 -5.500 5.612 1.00 0.00 H new ATOM 0 HG2 GLN A 56 14.107 -8.095 6.558 1.00 0.00 H new ATOM 0 HG3 GLN A 56 15.713 -8.198 5.864 1.00 0.00 H new ATOM 0 HE21 GLN A 56 17.431 -7.662 7.092 1.00 0.00 H new ATOM 0 HE22 GLN A 56 17.339 -6.806 8.635 1.00 0.00 H new TER 829 GLN A 56 HETATM 830 ZN ZN A 201 -2.154 5.842 -6.170 1.00 0.00 ZN HETATM 831 ZN ZN A 401 1.925 -5.981 3.143 1.00 0.00 ZN