USER MOD reduce.3.24.130724 H: found=0, std=0, add=555, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 556 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: B 27 HIS HE2 : B 27 HIS NE2 : B 37 ZNZN :(H bumps) USER MOD Set 1.1: A 231 TYR OH : rot 177:sc= 1.06 USER MOD Set 1.2: A 235 ASN :FLIP amide:sc= -0.398 F(o=0.11,f=1.2) USER MOD Set 1.3: A 237 GLN :FLIP amide:sc= -0.662 F(o=0.11!,f=1.2) USER MOD Set 1.4: B 30 TYR OH : rot 175:sc= 1.25 USER MOD Set 2.1: A 220 THR OG1 : rot 76:sc= 1.06! USER MOD Set 2.2: A 232 HIS : no HD1:sc= -1.24! C(o=0.86!,f=-10!) USER MOD Set 2.3: A 238 ASN : amide:sc= 1.04 K(o=0.86,f=-2.7!) USER MOD Single : A 206 ASN :FLIP amide:sc= -0.362 F(o=-2.9!,f=-0.36) USER MOD Single : A 210 THR OG1 : rot -7:sc= 1.87 USER MOD Single : A 212 THR OG1 : rot 173:sc= 0.434 USER MOD Single : A 222 HIS : no HD1:sc= -0.891 K(o=-0.89,f=-7.3!) USER MOD Single : A 223 TYR OH : rot 180:sc= 0 USER MOD Single : A 226 ASN : amide:sc= 0 X(o=0,f=-0.0054) USER MOD Single : A 233 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0132) USER MOD Single : A 234 MET CE :methyl -158:sc= -0.308 (180deg=-1.08) USER MOD Single : B 1 GLY N :NH3+ -133:sc= 0.016 (180deg=0) USER MOD Single : B 2 SER OG : rot 180:sc= 0 USER MOD Single : B 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 10 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 19 SER OG : rot 160:sc= 0.76 USER MOD Single : B 20 SER OG : rot 104:sc= 1.97 USER MOD Single : B 22 SER OG : rot 180:sc= 0.16 USER MOD Single : B 23 THR OG1 : rot -168:sc= -2.13! USER MOD Single : B 28 GLN : amide:sc= 0.958 K(o=0.96,f=-0.74) USER MOD Single : B 31 TYR OH : rot 168:sc= 1.23 USER MOD Single : B 33 SER OG : rot 180:sc= 0 USER MOD Single : B 34 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 200 -1.102 13.092 -2.104 1.00 1.00 N ATOM 2 CA GLU A 200 -0.978 14.243 -1.183 1.00 1.00 C ATOM 3 C GLU A 200 -1.258 13.809 0.247 1.00 1.00 C ATOM 4 O GLU A 200 -0.404 13.937 1.120 1.00 1.00 O ATOM 5 CB GLU A 200 -1.941 15.367 -1.584 1.00 1.00 C ATOM 6 CG GLU A 200 -1.460 16.197 -2.767 1.00 1.00 C ATOM 7 CD GLU A 200 -1.682 15.508 -4.095 1.00 1.00 C ATOM 8 OE1 GLU A 200 -1.113 14.416 -4.306 1.00 1.00 O ATOM 9 OE2 GLU A 200 -2.429 16.049 -4.929 1.00 1.00 O ATOM 0 HA GLU A 200 0.043 14.620 -1.247 1.00 1.00 H new ATOM 0 HB2 GLU A 200 -2.910 14.932 -1.828 1.00 1.00 H new ATOM 0 HB3 GLU A 200 -2.093 16.025 -0.728 1.00 1.00 H new ATOM 0 HG2 GLU A 200 -1.980 17.155 -2.768 1.00 1.00 H new ATOM 0 HG3 GLU A 200 -0.398 16.411 -2.647 1.00 1.00 H new ATOM 16 N ALA A 201 -2.455 13.281 0.480 1.00 1.00 N ATOM 17 CA ALA A 201 -2.849 12.831 1.808 1.00 1.00 C ATOM 18 C ALA A 201 -2.048 11.605 2.224 1.00 1.00 C ATOM 19 O ALA A 201 -1.365 11.615 3.247 1.00 1.00 O ATOM 20 CB ALA A 201 -4.339 12.533 1.841 1.00 1.00 C ATOM 0 H ALA A 201 -3.170 13.154 -0.236 1.00 1.00 H new ATOM 0 HA ALA A 201 -2.637 13.629 2.519 1.00 1.00 H new ATOM 0 HB1 ALA A 201 -4.621 12.198 2.839 1.00 1.00 H new ATOM 0 HB2 ALA A 201 -4.896 13.436 1.591 1.00 1.00 H new ATOM 0 HB3 ALA A 201 -4.570 11.752 1.117 1.00 1.00 H new ATOM 26 N ARG A 202 -2.129 10.557 1.419 1.00 1.00 N ATOM 27 CA ARG A 202 -1.416 9.320 1.690 1.00 1.00 C ATOM 28 C ARG A 202 -1.084 8.636 0.369 1.00 1.00 C ATOM 29 O ARG A 202 -1.479 9.123 -0.694 1.00 1.00 O ATOM 30 CB ARG A 202 -2.260 8.402 2.584 1.00 1.00 C ATOM 31 CG ARG A 202 -1.445 7.390 3.374 1.00 1.00 C ATOM 32 CD ARG A 202 -0.924 7.961 4.689 1.00 1.00 C ATOM 33 NE ARG A 202 -0.415 9.330 4.556 1.00 1.00 N ATOM 34 CZ ARG A 202 0.877 9.670 4.619 1.00 1.00 C ATOM 35 NH1 ARG A 202 1.818 8.742 4.754 1.00 1.00 N ATOM 36 NH2 ARG A 202 1.224 10.946 4.523 1.00 1.00 N ATOM 0 H ARG A 202 -2.687 10.540 0.565 1.00 1.00 H new ATOM 0 HA ARG A 202 -0.489 9.541 2.220 1.00 1.00 H new ATOM 0 HB2 ARG A 202 -2.832 9.015 3.280 1.00 1.00 H new ATOM 0 HB3 ARG A 202 -2.980 7.869 1.963 1.00 1.00 H new ATOM 0 HG2 ARG A 202 -2.060 6.514 3.580 1.00 1.00 H new ATOM 0 HG3 ARG A 202 -0.603 7.053 2.769 1.00 1.00 H new ATOM 0 HD2 ARG A 202 -1.725 7.947 5.428 1.00 1.00 H new ATOM 0 HD3 ARG A 202 -0.129 7.319 5.068 1.00 1.00 H new ATOM 0 HE ARG A 202 -1.094 10.076 4.405 1.00 1.00 H new ATOM 0 HH11 ARG A 202 1.559 7.757 4.811 1.00 1.00 H new ATOM 0 HH12 ARG A 202 2.800 9.014 4.801 1.00 1.00 H new ATOM 0 HH21 ARG A 202 0.507 11.662 4.402 1.00 1.00 H new ATOM 0 HH22 ARG A 202 2.208 11.212 4.570 1.00 1.00 H new ATOM 50 N GLU A 203 -0.345 7.539 0.434 1.00 1.00 N ATOM 51 CA GLU A 203 0.044 6.796 -0.759 1.00 1.00 C ATOM 52 C GLU A 203 -0.731 5.484 -0.856 1.00 1.00 C ATOM 53 O GLU A 203 -1.236 4.977 0.149 1.00 1.00 O ATOM 54 CB GLU A 203 1.553 6.509 -0.753 1.00 1.00 C ATOM 55 CG GLU A 203 2.331 7.229 0.344 1.00 1.00 C ATOM 56 CD GLU A 203 2.268 6.518 1.685 1.00 1.00 C ATOM 57 OE1 GLU A 203 3.136 5.667 1.955 1.00 1.00 O ATOM 58 OE2 GLU A 203 1.364 6.825 2.484 1.00 1.00 O ATOM 0 H GLU A 203 0.001 7.140 1.307 1.00 1.00 H new ATOM 0 HA GLU A 203 -0.194 7.410 -1.627 1.00 1.00 H new ATOM 0 HB2 GLU A 203 1.705 5.435 -0.643 1.00 1.00 H new ATOM 0 HB3 GLU A 203 1.968 6.793 -1.720 1.00 1.00 H new ATOM 0 HG2 GLU A 203 3.373 7.325 0.039 1.00 1.00 H new ATOM 0 HG3 GLU A 203 1.938 8.239 0.457 1.00 1.00 H new ATOM 65 N CYS A 204 -0.819 4.943 -2.067 1.00 1.00 N ATOM 66 CA CYS A 204 -1.524 3.692 -2.300 1.00 1.00 C ATOM 67 C CYS A 204 -0.548 2.600 -2.726 1.00 1.00 C ATOM 68 O CYS A 204 0.582 2.873 -3.140 1.00 1.00 O ATOM 69 CB CYS A 204 -2.618 3.875 -3.360 1.00 1.00 C ATOM 70 SG CYS A 204 -3.463 2.338 -3.859 1.00 1.00 S ATOM 0 H CYS A 204 -0.408 5.355 -2.904 1.00 1.00 H new ATOM 0 HA CYS A 204 -1.998 3.389 -1.367 1.00 1.00 H new ATOM 0 HB2 CYS A 204 -3.362 4.574 -2.978 1.00 1.00 H new ATOM 0 HB3 CYS A 204 -2.175 4.333 -4.244 1.00 1.00 H new ATOM 75 N VAL A 205 -1.009 1.368 -2.645 1.00 1.00 N ATOM 76 CA VAL A 205 -0.198 0.215 -2.983 1.00 1.00 C ATOM 77 C VAL A 205 -0.662 -0.444 -4.270 1.00 1.00 C ATOM 78 O VAL A 205 -0.009 -1.355 -4.778 1.00 1.00 O ATOM 79 CB VAL A 205 -0.261 -0.827 -1.856 1.00 1.00 C ATOM 80 CG1 VAL A 205 0.120 -0.190 -0.535 1.00 1.00 C ATOM 81 CG2 VAL A 205 -1.653 -1.440 -1.770 1.00 1.00 C ATOM 0 H VAL A 205 -1.956 1.138 -2.343 1.00 1.00 H new ATOM 0 HA VAL A 205 0.823 0.572 -3.117 1.00 1.00 H new ATOM 0 HB VAL A 205 0.449 -1.623 -2.079 1.00 1.00 H new ATOM 0 HG11 VAL A 205 0.072 -0.938 0.257 1.00 1.00 H new ATOM 0 HG12 VAL A 205 1.134 0.205 -0.600 1.00 1.00 H new ATOM 0 HG13 VAL A 205 -0.571 0.622 -0.310 1.00 1.00 H new ATOM 0 HG21 VAL A 205 -1.678 -2.176 -0.966 1.00 1.00 H new ATOM 0 HG22 VAL A 205 -2.384 -0.657 -1.568 1.00 1.00 H new ATOM 0 HG23 VAL A 205 -1.895 -1.927 -2.715 1.00 1.00 H new ATOM 91 N ASN A 206 -1.787 0.013 -4.792 1.00 1.00 N ATOM 92 CA ASN A 206 -2.343 -0.574 -6.000 1.00 1.00 C ATOM 93 C ASN A 206 -2.468 0.445 -7.125 1.00 1.00 C ATOM 94 O ASN A 206 -2.430 0.077 -8.300 1.00 1.00 O ATOM 95 CB ASN A 206 -3.707 -1.194 -5.699 1.00 1.00 C ATOM 96 CG ASN A 206 -3.641 -2.693 -5.463 1.00 1.00 C ATOM 97 OD1 ASN A 206 -3.263 -3.100 -4.259 1.00 1.00 O flip ATOM 98 ND2 ASN A 206 -3.913 -3.487 -6.362 1.00 1.00 N flip ATOM 0 H ASN A 206 -2.331 0.783 -4.402 1.00 1.00 H new ATOM 0 HA ASN A 206 -1.655 -1.349 -6.336 1.00 1.00 H new ATOM 0 HB2 ASN A 206 -4.132 -0.712 -4.819 1.00 1.00 H new ATOM 0 HB3 ASN A 206 -4.383 -0.992 -6.530 1.00 1.00 H new ATOM 0 HD21 ASN A 206 -4.201 -3.142 -7.278 1.00 1.00 H new ATOM 0 HD22 ASN A 206 -3.851 -4.491 -6.192 1.00 1.00 H new ATOM 105 N CYS A 207 -2.616 1.720 -6.782 1.00 1.00 N ATOM 106 CA CYS A 207 -2.746 2.746 -7.804 1.00 1.00 C ATOM 107 C CYS A 207 -1.975 4.009 -7.444 1.00 1.00 C ATOM 108 O CYS A 207 -1.066 4.420 -8.167 1.00 1.00 O ATOM 109 CB CYS A 207 -4.227 3.072 -8.049 1.00 1.00 C ATOM 110 SG CYS A 207 -5.178 3.511 -6.551 1.00 1.00 S ATOM 0 H CYS A 207 -2.648 2.061 -5.821 1.00 1.00 H new ATOM 0 HA CYS A 207 -2.312 2.350 -8.722 1.00 1.00 H new ATOM 0 HB2 CYS A 207 -4.289 3.899 -8.756 1.00 1.00 H new ATOM 0 HB3 CYS A 207 -4.700 2.211 -8.522 1.00 1.00 H new ATOM 115 N GLY A 208 -2.340 4.615 -6.337 1.00 1.00 N ATOM 116 CA GLY A 208 -1.680 5.827 -5.905 1.00 1.00 C ATOM 117 C GLY A 208 -2.656 6.963 -5.717 1.00 1.00 C ATOM 118 O GLY A 208 -2.261 8.130 -5.667 1.00 1.00 O ATOM 0 H GLY A 208 -3.086 4.291 -5.722 1.00 1.00 H new ATOM 0 HA2 GLY A 208 -1.155 5.640 -4.968 1.00 1.00 H new ATOM 0 HA3 GLY A 208 -0.928 6.113 -6.640 1.00 1.00 H new ATOM 122 N ALA A 209 -3.937 6.622 -5.631 1.00 1.00 N ATOM 123 CA ALA A 209 -4.984 7.615 -5.435 1.00 1.00 C ATOM 124 C ALA A 209 -4.839 8.274 -4.069 1.00 1.00 C ATOM 125 O ALA A 209 -4.464 7.626 -3.094 1.00 1.00 O ATOM 126 CB ALA A 209 -6.355 6.971 -5.578 1.00 1.00 C ATOM 0 H ALA A 209 -4.275 5.662 -5.694 1.00 1.00 H new ATOM 0 HA ALA A 209 -4.884 8.385 -6.200 1.00 1.00 H new ATOM 0 HB1 ALA A 209 -7.128 7.725 -5.429 1.00 1.00 H new ATOM 0 HB2 ALA A 209 -6.453 6.542 -6.575 1.00 1.00 H new ATOM 0 HB3 ALA A 209 -6.467 6.184 -4.832 1.00 1.00 H new ATOM 132 N THR A 210 -5.125 9.562 -4.001 1.00 1.00 N ATOM 133 CA THR A 210 -5.002 10.290 -2.752 1.00 1.00 C ATOM 134 C THR A 210 -6.269 11.088 -2.446 1.00 1.00 C ATOM 135 O THR A 210 -6.315 11.857 -1.486 1.00 1.00 O ATOM 136 CB THR A 210 -3.760 11.218 -2.782 1.00 1.00 C ATOM 137 OG1 THR A 210 -3.732 12.080 -1.636 1.00 1.00 O ATOM 138 CG2 THR A 210 -3.734 12.057 -4.050 1.00 1.00 C ATOM 0 H THR A 210 -5.442 10.123 -4.792 1.00 1.00 H new ATOM 0 HA THR A 210 -4.869 9.562 -1.952 1.00 1.00 H new ATOM 0 HB THR A 210 -2.878 10.578 -2.764 1.00 1.00 H new ATOM 0 HG1 THR A 210 -4.564 11.976 -1.128 1.00 1.00 H new ATOM 0 HG21 THR A 210 -2.852 12.698 -4.044 1.00 1.00 H new ATOM 0 HG22 THR A 210 -3.700 11.401 -4.920 1.00 1.00 H new ATOM 0 HG23 THR A 210 -4.631 12.674 -4.096 1.00 1.00 H new ATOM 146 N ALA A 211 -7.301 10.891 -3.251 1.00 1.00 N ATOM 147 CA ALA A 211 -8.559 11.589 -3.050 1.00 1.00 C ATOM 148 C ALA A 211 -9.693 10.597 -2.834 1.00 1.00 C ATOM 149 O ALA A 211 -10.246 10.052 -3.786 1.00 1.00 O ATOM 150 CB ALA A 211 -8.863 12.495 -4.231 1.00 1.00 C ATOM 0 H ALA A 211 -7.292 10.255 -4.048 1.00 1.00 H new ATOM 0 HA ALA A 211 -8.468 12.207 -2.157 1.00 1.00 H new ATOM 0 HB1 ALA A 211 -9.809 13.009 -4.061 1.00 1.00 H new ATOM 0 HB2 ALA A 211 -8.066 13.230 -4.341 1.00 1.00 H new ATOM 0 HB3 ALA A 211 -8.933 11.897 -5.140 1.00 1.00 H new ATOM 156 N THR A 212 -10.027 10.355 -1.578 1.00 1.00 N ATOM 157 CA THR A 212 -11.093 9.430 -1.235 1.00 1.00 C ATOM 158 C THR A 212 -11.829 9.922 0.010 1.00 1.00 C ATOM 159 O THR A 212 -11.216 10.508 0.905 1.00 1.00 O ATOM 160 CB THR A 212 -10.550 7.995 -1.003 1.00 1.00 C ATOM 161 OG1 THR A 212 -11.607 7.116 -0.598 1.00 1.00 O ATOM 162 CG2 THR A 212 -9.453 7.982 0.048 1.00 1.00 C ATOM 0 H THR A 212 -9.572 10.789 -0.775 1.00 1.00 H new ATOM 0 HA THR A 212 -11.787 9.391 -2.075 1.00 1.00 H new ATOM 0 HB THR A 212 -10.131 7.648 -1.948 1.00 1.00 H new ATOM 0 HG1 THR A 212 -11.275 6.194 -0.573 1.00 1.00 H new ATOM 0 HG21 THR A 212 -9.094 6.962 0.187 1.00 1.00 H new ATOM 0 HG22 THR A 212 -8.628 8.615 -0.279 1.00 1.00 H new ATOM 0 HG23 THR A 212 -9.848 8.359 0.991 1.00 1.00 H new ATOM 170 N PRO A 213 -13.160 9.731 0.061 1.00 1.00 N ATOM 171 CA PRO A 213 -13.981 10.152 1.202 1.00 1.00 C ATOM 172 C PRO A 213 -13.580 9.451 2.497 1.00 1.00 C ATOM 173 O PRO A 213 -13.768 9.989 3.591 1.00 1.00 O ATOM 174 CB PRO A 213 -15.407 9.761 0.794 1.00 1.00 C ATOM 175 CG PRO A 213 -15.243 8.752 -0.288 1.00 1.00 C ATOM 176 CD PRO A 213 -13.971 9.113 -0.999 1.00 1.00 C ATOM 0 HA PRO A 213 -13.867 11.216 1.409 1.00 1.00 H new ATOM 0 HB2 PRO A 213 -15.958 9.346 1.638 1.00 1.00 H new ATOM 0 HB3 PRO A 213 -15.967 10.627 0.442 1.00 1.00 H new ATOM 0 HG2 PRO A 213 -15.188 7.744 0.123 1.00 1.00 H new ATOM 0 HG3 PRO A 213 -16.092 8.771 -0.972 1.00 1.00 H new ATOM 0 HD2 PRO A 213 -13.482 8.235 -1.421 1.00 1.00 H new ATOM 0 HD3 PRO A 213 -14.152 9.804 -1.823 1.00 1.00 H new ATOM 184 N LEU A 214 -13.026 8.254 2.370 1.00 1.00 N ATOM 185 CA LEU A 214 -12.590 7.487 3.526 1.00 1.00 C ATOM 186 C LEU A 214 -11.508 6.498 3.126 1.00 1.00 C ATOM 187 O LEU A 214 -11.702 5.688 2.221 1.00 1.00 O ATOM 188 CB LEU A 214 -13.763 6.736 4.162 1.00 1.00 C ATOM 189 CG LEU A 214 -13.415 5.942 5.424 1.00 1.00 C ATOM 190 CD1 LEU A 214 -13.037 6.875 6.562 1.00 1.00 C ATOM 191 CD2 LEU A 214 -14.574 5.052 5.831 1.00 1.00 C ATOM 0 H LEU A 214 -12.868 7.792 1.474 1.00 1.00 H new ATOM 0 HA LEU A 214 -12.187 8.186 4.258 1.00 1.00 H new ATOM 0 HB2 LEU A 214 -14.545 7.455 4.407 1.00 1.00 H new ATOM 0 HB3 LEU A 214 -14.180 6.051 3.423 1.00 1.00 H new ATOM 0 HG LEU A 214 -12.555 5.310 5.201 1.00 1.00 H new ATOM 0 HD11 LEU A 214 -12.794 6.288 7.448 1.00 1.00 H new ATOM 0 HD12 LEU A 214 -12.171 7.470 6.272 1.00 1.00 H new ATOM 0 HD13 LEU A 214 -13.874 7.537 6.784 1.00 1.00 H new ATOM 0 HD21 LEU A 214 -14.308 4.496 6.730 1.00 1.00 H new ATOM 0 HD22 LEU A 214 -15.452 5.666 6.031 1.00 1.00 H new ATOM 0 HD23 LEU A 214 -14.797 4.353 5.025 1.00 1.00 H new ATOM 203 N TRP A 215 -10.370 6.574 3.798 1.00 1.00 N ATOM 204 CA TRP A 215 -9.260 5.680 3.518 1.00 1.00 C ATOM 205 C TRP A 215 -9.526 4.303 4.114 1.00 1.00 C ATOM 206 O TRP A 215 -9.559 4.140 5.336 1.00 1.00 O ATOM 207 CB TRP A 215 -7.955 6.253 4.079 1.00 1.00 C ATOM 208 CG TRP A 215 -7.488 7.482 3.364 1.00 1.00 C ATOM 209 CD1 TRP A 215 -7.846 8.772 3.631 1.00 1.00 C ATOM 210 CD2 TRP A 215 -6.577 7.536 2.260 1.00 1.00 C ATOM 211 NE1 TRP A 215 -7.216 9.627 2.760 1.00 1.00 N ATOM 212 CE2 TRP A 215 -6.436 8.892 1.904 1.00 1.00 C ATOM 213 CE3 TRP A 215 -5.874 6.572 1.531 1.00 1.00 C ATOM 214 CZ2 TRP A 215 -5.614 9.304 0.861 1.00 1.00 C ATOM 215 CZ3 TRP A 215 -5.060 6.985 0.494 1.00 1.00 C ATOM 216 CH2 TRP A 215 -4.940 8.341 0.166 1.00 1.00 C ATOM 0 H TRP A 215 -10.192 7.248 4.543 1.00 1.00 H new ATOM 0 HA TRP A 215 -9.161 5.582 2.437 1.00 1.00 H new ATOM 0 HB2 TRP A 215 -8.094 6.487 5.135 1.00 1.00 H new ATOM 0 HB3 TRP A 215 -7.178 5.491 4.021 1.00 1.00 H new ATOM 0 HD1 TRP A 215 -8.526 9.076 4.413 1.00 1.00 H new ATOM 0 HE1 TRP A 215 -7.312 10.642 2.751 1.00 1.00 H new ATOM 0 HE3 TRP A 215 -5.966 5.524 1.774 1.00 1.00 H new ATOM 0 HZ2 TRP A 215 -5.512 10.349 0.609 1.00 1.00 H new ATOM 0 HZ3 TRP A 215 -4.507 6.250 -0.073 1.00 1.00 H new ATOM 0 HH2 TRP A 215 -4.301 8.632 -0.654 1.00 1.00 H new ATOM 227 N ARG A 216 -9.738 3.323 3.248 1.00 1.00 N ATOM 228 CA ARG A 216 -9.998 1.961 3.686 1.00 1.00 C ATOM 229 C ARG A 216 -8.719 1.339 4.226 1.00 1.00 C ATOM 230 O ARG A 216 -7.833 0.953 3.467 1.00 1.00 O ATOM 231 CB ARG A 216 -10.560 1.121 2.533 1.00 1.00 C ATOM 232 CG ARG A 216 -10.785 -0.343 2.884 1.00 1.00 C ATOM 233 CD ARG A 216 -11.831 -0.511 3.975 1.00 1.00 C ATOM 234 NE ARG A 216 -11.230 -0.589 5.306 1.00 1.00 N ATOM 235 CZ ARG A 216 -11.794 -0.096 6.407 1.00 1.00 C ATOM 236 NH1 ARG A 216 -12.953 0.547 6.337 1.00 1.00 N ATOM 237 NH2 ARG A 216 -11.185 -0.233 7.579 1.00 1.00 N ATOM 0 H ARG A 216 -9.735 3.447 2.236 1.00 1.00 H new ATOM 0 HA ARG A 216 -10.742 1.984 4.482 1.00 1.00 H new ATOM 0 HB2 ARG A 216 -11.506 1.555 2.208 1.00 1.00 H new ATOM 0 HB3 ARG A 216 -9.875 1.180 1.687 1.00 1.00 H new ATOM 0 HG2 ARG A 216 -11.100 -0.886 1.993 1.00 1.00 H new ATOM 0 HG3 ARG A 216 -9.845 -0.786 3.211 1.00 1.00 H new ATOM 0 HD2 ARG A 216 -12.528 0.327 3.941 1.00 1.00 H new ATOM 0 HD3 ARG A 216 -12.410 -1.415 3.786 1.00 1.00 H new ATOM 0 HE ARG A 216 -10.324 -1.049 5.396 1.00 1.00 H new ATOM 0 HH11 ARG A 216 -13.417 0.666 5.436 1.00 1.00 H new ATOM 0 HH12 ARG A 216 -13.380 0.922 7.184 1.00 1.00 H new ATOM 0 HH21 ARG A 216 -10.288 -0.715 7.634 1.00 1.00 H new ATOM 0 HH22 ARG A 216 -11.615 0.144 8.424 1.00 1.00 H new ATOM 251 N ARG A 217 -8.628 1.264 5.542 1.00 1.00 N ATOM 252 CA ARG A 217 -7.459 0.698 6.199 1.00 1.00 C ATOM 253 C ARG A 217 -7.703 -0.754 6.585 1.00 1.00 C ATOM 254 O ARG A 217 -8.728 -1.340 6.230 1.00 1.00 O ATOM 255 CB ARG A 217 -7.113 1.519 7.440 1.00 1.00 C ATOM 256 CG ARG A 217 -6.957 3.001 7.155 1.00 1.00 C ATOM 257 CD ARG A 217 -6.908 3.810 8.437 1.00 1.00 C ATOM 258 NE ARG A 217 -6.784 5.243 8.183 1.00 1.00 N ATOM 259 CZ ARG A 217 -7.524 6.174 8.787 1.00 1.00 C ATOM 260 NH1 ARG A 217 -8.473 5.819 9.648 1.00 1.00 N ATOM 261 NH2 ARG A 217 -7.320 7.458 8.522 1.00 1.00 N ATOM 0 H ARG A 217 -9.353 1.589 6.181 1.00 1.00 H new ATOM 0 HA ARG A 217 -6.622 0.729 5.501 1.00 1.00 H new ATOM 0 HB2 ARG A 217 -7.893 1.380 8.188 1.00 1.00 H new ATOM 0 HB3 ARG A 217 -6.187 1.140 7.871 1.00 1.00 H new ATOM 0 HG2 ARG A 217 -6.045 3.169 6.582 1.00 1.00 H new ATOM 0 HG3 ARG A 217 -7.788 3.344 6.538 1.00 1.00 H new ATOM 0 HD2 ARG A 217 -7.812 3.623 9.017 1.00 1.00 H new ATOM 0 HD3 ARG A 217 -6.066 3.476 9.043 1.00 1.00 H new ATOM 0 HE ARG A 217 -6.089 5.550 7.502 1.00 1.00 H new ATOM 0 HH11 ARG A 217 -8.637 4.832 9.848 1.00 1.00 H new ATOM 0 HH12 ARG A 217 -9.037 6.533 10.108 1.00 1.00 H new ATOM 0 HH21 ARG A 217 -6.597 7.733 7.857 1.00 1.00 H new ATOM 0 HH22 ARG A 217 -7.886 8.170 8.984 1.00 1.00 H new ATOM 275 N ASP A 218 -6.766 -1.322 7.326 1.00 1.00 N ATOM 276 CA ASP A 218 -6.869 -2.701 7.771 1.00 1.00 C ATOM 277 C ASP A 218 -6.276 -2.822 9.174 1.00 1.00 C ATOM 278 O ASP A 218 -5.889 -1.817 9.774 1.00 1.00 O ATOM 279 CB ASP A 218 -6.159 -3.641 6.776 1.00 1.00 C ATOM 280 CG ASP A 218 -4.771 -4.060 7.227 1.00 1.00 C ATOM 281 OD1 ASP A 218 -3.822 -3.261 7.088 1.00 1.00 O ATOM 282 OD2 ASP A 218 -4.627 -5.187 7.747 1.00 1.00 O ATOM 0 H ASP A 218 -5.919 -0.844 7.634 1.00 1.00 H new ATOM 0 HA ASP A 218 -7.917 -2.998 7.809 1.00 1.00 H new ATOM 0 HB2 ASP A 218 -6.770 -4.532 6.630 1.00 1.00 H new ATOM 0 HB3 ASP A 218 -6.084 -3.144 5.809 1.00 1.00 H new ATOM 287 N ARG A 219 -6.220 -4.043 9.694 1.00 1.00 N ATOM 288 CA ARG A 219 -5.674 -4.302 11.023 1.00 1.00 C ATOM 289 C ARG A 219 -4.217 -3.842 11.120 1.00 1.00 C ATOM 290 O ARG A 219 -3.815 -3.256 12.123 1.00 1.00 O ATOM 291 CB ARG A 219 -5.770 -5.794 11.365 1.00 1.00 C ATOM 292 CG ARG A 219 -6.692 -6.579 10.443 1.00 1.00 C ATOM 293 CD ARG A 219 -5.988 -7.790 9.850 1.00 1.00 C ATOM 294 NE ARG A 219 -4.631 -7.475 9.405 1.00 1.00 N ATOM 295 CZ ARG A 219 -3.543 -8.123 9.827 1.00 1.00 C ATOM 296 NH1 ARG A 219 -3.651 -9.120 10.696 1.00 1.00 N ATOM 297 NH2 ARG A 219 -2.346 -7.765 9.386 1.00 1.00 N ATOM 0 H ARG A 219 -6.550 -4.878 9.210 1.00 1.00 H new ATOM 0 HA ARG A 219 -6.266 -3.733 11.740 1.00 1.00 H new ATOM 0 HB2 ARG A 219 -4.772 -6.231 11.324 1.00 1.00 H new ATOM 0 HB3 ARG A 219 -6.122 -5.900 12.391 1.00 1.00 H new ATOM 0 HG2 ARG A 219 -7.572 -6.904 10.998 1.00 1.00 H new ATOM 0 HG3 ARG A 219 -7.043 -5.931 9.640 1.00 1.00 H new ATOM 0 HD2 ARG A 219 -5.949 -8.586 10.593 1.00 1.00 H new ATOM 0 HD3 ARG A 219 -6.567 -8.168 9.007 1.00 1.00 H new ATOM 0 HE ARG A 219 -4.509 -6.717 8.734 1.00 1.00 H new ATOM 0 HH11 ARG A 219 -4.569 -9.395 11.045 1.00 1.00 H new ATOM 0 HH12 ARG A 219 -2.816 -9.611 11.015 1.00 1.00 H new ATOM 0 HH21 ARG A 219 -2.256 -6.994 8.724 1.00 1.00 H new ATOM 0 HH22 ARG A 219 -1.515 -8.260 9.708 1.00 1.00 H new ATOM 311 N THR A 220 -3.433 -4.100 10.075 1.00 1.00 N ATOM 312 CA THR A 220 -2.028 -3.706 10.059 1.00 1.00 C ATOM 313 C THR A 220 -1.892 -2.198 9.884 1.00 1.00 C ATOM 314 O THR A 220 -1.231 -1.522 10.673 1.00 1.00 O ATOM 315 CB THR A 220 -1.249 -4.405 8.924 1.00 1.00 C ATOM 316 OG1 THR A 220 -2.086 -5.361 8.256 1.00 1.00 O ATOM 317 CG2 THR A 220 -0.008 -5.095 9.470 1.00 1.00 C ATOM 0 H THR A 220 -3.747 -4.579 9.231 1.00 1.00 H new ATOM 0 HA THR A 220 -1.607 -4.010 11.017 1.00 1.00 H new ATOM 0 HB THR A 220 -0.939 -3.645 8.207 1.00 1.00 H new ATOM 0 HG1 THR A 220 -2.710 -4.892 7.663 1.00 1.00 H new ATOM 0 HG21 THR A 220 0.527 -5.581 8.654 1.00 1.00 H new ATOM 0 HG22 THR A 220 0.642 -4.357 9.940 1.00 1.00 H new ATOM 0 HG23 THR A 220 -0.302 -5.842 10.207 1.00 1.00 H new ATOM 325 N GLY A 221 -2.533 -1.681 8.848 1.00 1.00 N ATOM 326 CA GLY A 221 -2.475 -0.262 8.568 1.00 1.00 C ATOM 327 C GLY A 221 -2.358 0.014 7.083 1.00 1.00 C ATOM 328 O GLY A 221 -1.709 0.975 6.669 1.00 1.00 O ATOM 0 H GLY A 221 -3.096 -2.223 8.192 1.00 1.00 H new ATOM 0 HA2 GLY A 221 -3.370 0.222 8.958 1.00 1.00 H new ATOM 0 HA3 GLY A 221 -1.623 0.176 9.087 1.00 1.00 H new ATOM 332 N HIS A 222 -2.977 -0.837 6.278 1.00 1.00 N ATOM 333 CA HIS A 222 -2.948 -0.681 4.831 1.00 1.00 C ATOM 334 C HIS A 222 -3.965 0.364 4.393 1.00 1.00 C ATOM 335 O HIS A 222 -5.139 0.056 4.207 1.00 1.00 O ATOM 336 CB HIS A 222 -3.237 -2.018 4.134 1.00 1.00 C ATOM 337 CG HIS A 222 -2.121 -3.016 4.236 1.00 1.00 C ATOM 338 ND1 HIS A 222 -1.984 -4.083 3.377 1.00 1.00 N ATOM 339 CD2 HIS A 222 -1.079 -3.104 5.099 1.00 1.00 C ATOM 340 CE1 HIS A 222 -0.916 -4.778 3.704 1.00 1.00 C ATOM 341 NE2 HIS A 222 -0.345 -4.208 4.745 1.00 1.00 N ATOM 0 H HIS A 222 -3.507 -1.645 6.604 1.00 1.00 H new ATOM 0 HA HIS A 222 -1.950 -0.349 4.544 1.00 1.00 H new ATOM 0 HB2 HIS A 222 -4.139 -2.452 4.565 1.00 1.00 H new ATOM 0 HB3 HIS A 222 -3.446 -1.829 3.081 1.00 1.00 H new ATOM 0 HD2 HIS A 222 -0.866 -2.429 5.915 1.00 1.00 H new ATOM 0 HE1 HIS A 222 -0.566 -5.668 3.202 1.00 1.00 H new ATOM 0 HE2 HIS A 222 0.502 -4.533 5.211 1.00 1.00 H new ATOM 350 N TYR A 223 -3.511 1.601 4.260 1.00 1.00 N ATOM 351 CA TYR A 223 -4.376 2.695 3.839 1.00 1.00 C ATOM 352 C TYR A 223 -4.634 2.606 2.338 1.00 1.00 C ATOM 353 O TYR A 223 -3.699 2.637 1.541 1.00 1.00 O ATOM 354 CB TYR A 223 -3.737 4.047 4.177 1.00 1.00 C ATOM 355 CG TYR A 223 -2.975 4.063 5.488 1.00 1.00 C ATOM 356 CD1 TYR A 223 -3.632 3.900 6.704 1.00 1.00 C ATOM 357 CD2 TYR A 223 -1.598 4.247 5.508 1.00 1.00 C ATOM 358 CE1 TYR A 223 -2.939 3.920 7.899 1.00 1.00 C ATOM 359 CE2 TYR A 223 -0.897 4.267 6.700 1.00 1.00 C ATOM 360 CZ TYR A 223 -1.572 4.103 7.892 1.00 1.00 C ATOM 361 OH TYR A 223 -0.880 4.126 9.082 1.00 1.00 O ATOM 0 H TYR A 223 -2.544 1.874 4.438 1.00 1.00 H new ATOM 0 HA TYR A 223 -5.323 2.613 4.373 1.00 1.00 H new ATOM 0 HB2 TYR A 223 -3.058 4.327 3.371 1.00 1.00 H new ATOM 0 HB3 TYR A 223 -4.518 4.806 4.214 1.00 1.00 H new ATOM 0 HD1 TYR A 223 -4.702 3.755 6.714 1.00 1.00 H new ATOM 0 HD2 TYR A 223 -1.066 4.377 4.577 1.00 1.00 H new ATOM 0 HE1 TYR A 223 -3.465 3.793 8.834 1.00 1.00 H new ATOM 0 HE2 TYR A 223 0.173 4.410 6.698 1.00 1.00 H new ATOM 0 HH TYR A 223 0.074 4.263 8.903 1.00 1.00 H new ATOM 371 N LEU A 224 -5.894 2.457 1.961 1.00 1.00 N ATOM 372 CA LEU A 224 -6.263 2.362 0.557 1.00 1.00 C ATOM 373 C LEU A 224 -7.293 3.427 0.200 1.00 1.00 C ATOM 374 O LEU A 224 -7.970 3.966 1.076 1.00 1.00 O ATOM 375 CB LEU A 224 -6.813 0.967 0.250 1.00 1.00 C ATOM 376 CG LEU A 224 -5.888 -0.192 0.634 1.00 1.00 C ATOM 377 CD1 LEU A 224 -6.644 -1.510 0.605 1.00 1.00 C ATOM 378 CD2 LEU A 224 -4.689 -0.247 -0.300 1.00 1.00 C ATOM 0 H LEU A 224 -6.680 2.399 2.609 1.00 1.00 H new ATOM 0 HA LEU A 224 -5.372 2.530 -0.048 1.00 1.00 H new ATOM 0 HB2 LEU A 224 -7.762 0.844 0.773 1.00 1.00 H new ATOM 0 HB3 LEU A 224 -7.026 0.904 -0.817 1.00 1.00 H new ATOM 0 HG LEU A 224 -5.529 -0.023 1.649 1.00 1.00 H new ATOM 0 HD11 LEU A 224 -5.971 -2.322 0.880 1.00 1.00 H new ATOM 0 HD12 LEU A 224 -7.472 -1.470 1.312 1.00 1.00 H new ATOM 0 HD13 LEU A 224 -7.032 -1.685 -0.399 1.00 1.00 H new ATOM 0 HD21 LEU A 224 -4.042 -1.076 -0.013 1.00 1.00 H new ATOM 0 HD22 LEU A 224 -5.032 -0.392 -1.324 1.00 1.00 H new ATOM 0 HD23 LEU A 224 -4.132 0.688 -0.233 1.00 1.00 H new ATOM 390 N CYS A 225 -7.403 3.712 -1.091 1.00 1.00 N ATOM 391 CA CYS A 225 -8.328 4.713 -1.597 1.00 1.00 C ATOM 392 C CYS A 225 -9.776 4.236 -1.502 1.00 1.00 C ATOM 393 O CYS A 225 -10.475 4.509 -0.527 1.00 1.00 O ATOM 394 CB CYS A 225 -7.978 5.017 -3.050 1.00 1.00 C ATOM 395 SG CYS A 225 -7.510 3.536 -4.006 1.00 1.00 S ATOM 0 H CYS A 225 -6.852 3.254 -1.817 1.00 1.00 H new ATOM 0 HA CYS A 225 -8.236 5.612 -0.988 1.00 1.00 H new ATOM 0 HB2 CYS A 225 -8.832 5.495 -3.530 1.00 1.00 H new ATOM 0 HB3 CYS A 225 -7.156 5.732 -3.076 1.00 1.00 H new ATOM 400 N ASN A 226 -10.216 3.529 -2.532 1.00 1.00 N ATOM 401 CA ASN A 226 -11.573 3.006 -2.579 1.00 1.00 C ATOM 402 C ASN A 226 -11.628 1.729 -3.404 1.00 1.00 C ATOM 403 O ASN A 226 -12.073 0.696 -2.914 1.00 1.00 O ATOM 404 CB ASN A 226 -12.542 4.042 -3.151 1.00 1.00 C ATOM 405 CG ASN A 226 -13.985 3.577 -3.074 1.00 1.00 C ATOM 406 OD1 ASN A 226 -14.504 2.973 -4.011 1.00 1.00 O ATOM 407 ND2 ASN A 226 -14.642 3.850 -1.956 1.00 1.00 N ATOM 0 H ASN A 226 -9.650 3.304 -3.350 1.00 1.00 H new ATOM 0 HA ASN A 226 -11.877 2.778 -1.557 1.00 1.00 H new ATOM 0 HB2 ASN A 226 -12.434 4.979 -2.605 1.00 1.00 H new ATOM 0 HB3 ASN A 226 -12.282 4.246 -4.190 1.00 1.00 H new ATOM 0 HD21 ASN A 226 -15.613 3.557 -1.851 1.00 1.00 H new ATOM 0 HD22 ASN A 226 -14.176 4.353 -1.201 1.00 1.00 H new ATOM 414 N ALA A 227 -11.159 1.796 -4.649 1.00 1.00 N ATOM 415 CA ALA A 227 -11.158 0.627 -5.529 1.00 1.00 C ATOM 416 C ALA A 227 -10.369 -0.506 -4.893 1.00 1.00 C ATOM 417 O ALA A 227 -10.892 -1.601 -4.672 1.00 1.00 O ATOM 418 CB ALA A 227 -10.579 0.982 -6.890 1.00 1.00 C ATOM 0 H ALA A 227 -10.776 2.643 -5.070 1.00 1.00 H new ATOM 0 HA ALA A 227 -12.187 0.298 -5.672 1.00 1.00 H new ATOM 0 HB1 ALA A 227 -10.587 0.100 -7.530 1.00 1.00 H new ATOM 0 HB2 ALA A 227 -11.180 1.768 -7.348 1.00 1.00 H new ATOM 0 HB3 ALA A 227 -9.554 1.333 -6.769 1.00 1.00 H new ATOM 424 N CYS A 228 -9.114 -0.223 -4.574 1.00 1.00 N ATOM 425 CA CYS A 228 -8.245 -1.192 -3.942 1.00 1.00 C ATOM 426 C CYS A 228 -8.754 -1.517 -2.538 1.00 1.00 C ATOM 427 O CYS A 228 -8.523 -2.607 -2.010 1.00 1.00 O ATOM 428 CB CYS A 228 -6.833 -0.618 -3.900 1.00 1.00 C ATOM 429 SG CYS A 228 -6.490 0.538 -5.269 1.00 1.00 S ATOM 0 H CYS A 228 -8.676 0.682 -4.747 1.00 1.00 H new ATOM 0 HA CYS A 228 -8.237 -2.122 -4.510 1.00 1.00 H new ATOM 0 HB2 CYS A 228 -6.685 -0.102 -2.951 1.00 1.00 H new ATOM 0 HB3 CYS A 228 -6.113 -1.436 -3.934 1.00 1.00 H new ATOM 434 N GLY A 229 -9.461 -0.561 -1.949 1.00 1.00 N ATOM 435 CA GLY A 229 -10.017 -0.754 -0.628 1.00 1.00 C ATOM 436 C GLY A 229 -11.113 -1.797 -0.632 1.00 1.00 C ATOM 437 O GLY A 229 -11.162 -2.665 0.241 1.00 1.00 O ATOM 0 H GLY A 229 -9.659 0.348 -2.367 1.00 1.00 H new ATOM 0 HA2 GLY A 229 -9.227 -1.058 0.059 1.00 1.00 H new ATOM 0 HA3 GLY A 229 -10.415 0.191 -0.258 1.00 1.00 H new ATOM 441 N LEU A 230 -11.995 -1.710 -1.620 1.00 1.00 N ATOM 442 CA LEU A 230 -13.086 -2.663 -1.759 1.00 1.00 C ATOM 443 C LEU A 230 -12.524 -4.013 -2.173 1.00 1.00 C ATOM 444 O LEU A 230 -12.982 -5.057 -1.708 1.00 1.00 O ATOM 445 CB LEU A 230 -14.111 -2.176 -2.789 1.00 1.00 C ATOM 446 CG LEU A 230 -14.784 -0.839 -2.465 1.00 1.00 C ATOM 447 CD1 LEU A 230 -15.785 -0.478 -3.549 1.00 1.00 C ATOM 448 CD2 LEU A 230 -15.468 -0.897 -1.106 1.00 1.00 C ATOM 0 H LEU A 230 -11.975 -0.986 -2.338 1.00 1.00 H new ATOM 0 HA LEU A 230 -13.595 -2.758 -0.800 1.00 1.00 H new ATOM 0 HB2 LEU A 230 -13.616 -2.089 -3.756 1.00 1.00 H new ATOM 0 HB3 LEU A 230 -14.885 -2.937 -2.894 1.00 1.00 H new ATOM 0 HG LEU A 230 -14.016 -0.066 -2.428 1.00 1.00 H new ATOM 0 HD11 LEU A 230 -16.256 0.474 -3.306 1.00 1.00 H new ATOM 0 HD12 LEU A 230 -15.270 -0.395 -4.506 1.00 1.00 H new ATOM 0 HD13 LEU A 230 -16.548 -1.254 -3.613 1.00 1.00 H new ATOM 0 HD21 LEU A 230 -15.940 0.063 -0.895 1.00 1.00 H new ATOM 0 HD22 LEU A 230 -16.226 -1.680 -1.113 1.00 1.00 H new ATOM 0 HD23 LEU A 230 -14.728 -1.115 -0.335 1.00 1.00 H new ATOM 460 N TYR A 231 -11.516 -3.977 -3.043 1.00 1.00 N ATOM 461 CA TYR A 231 -10.856 -5.189 -3.509 1.00 1.00 C ATOM 462 C TYR A 231 -10.279 -5.952 -2.318 1.00 1.00 C ATOM 463 O TYR A 231 -10.347 -7.179 -2.257 1.00 1.00 O ATOM 464 CB TYR A 231 -9.750 -4.838 -4.518 1.00 1.00 C ATOM 465 CG TYR A 231 -8.599 -5.819 -4.530 1.00 1.00 C ATOM 466 CD1 TYR A 231 -8.706 -7.039 -5.185 1.00 1.00 C ATOM 467 CD2 TYR A 231 -7.412 -5.529 -3.870 1.00 1.00 C ATOM 468 CE1 TYR A 231 -7.664 -7.945 -5.176 1.00 1.00 C ATOM 469 CE2 TYR A 231 -6.364 -6.426 -3.861 1.00 1.00 C ATOM 470 CZ TYR A 231 -6.496 -7.634 -4.512 1.00 1.00 C ATOM 471 OH TYR A 231 -5.461 -8.540 -4.488 1.00 1.00 O ATOM 0 H TYR A 231 -11.139 -3.116 -3.439 1.00 1.00 H new ATOM 0 HA TYR A 231 -11.585 -5.824 -4.011 1.00 1.00 H new ATOM 0 HB2 TYR A 231 -10.184 -4.790 -5.517 1.00 1.00 H new ATOM 0 HB3 TYR A 231 -9.365 -3.844 -4.290 1.00 1.00 H new ATOM 0 HD1 TYR A 231 -9.618 -7.283 -5.709 1.00 1.00 H new ATOM 0 HD2 TYR A 231 -7.308 -4.585 -3.355 1.00 1.00 H new ATOM 0 HE1 TYR A 231 -7.763 -8.892 -5.686 1.00 1.00 H new ATOM 0 HE2 TYR A 231 -5.446 -6.183 -3.347 1.00 1.00 H new ATOM 0 HH TYR A 231 -4.694 -8.148 -4.021 1.00 1.00 H new ATOM 481 N HIS A 232 -9.725 -5.200 -1.370 1.00 1.00 N ATOM 482 CA HIS A 232 -9.137 -5.766 -0.161 1.00 1.00 C ATOM 483 C HIS A 232 -10.169 -6.597 0.599 1.00 1.00 C ATOM 484 O HIS A 232 -9.859 -7.661 1.131 1.00 1.00 O ATOM 485 CB HIS A 232 -8.615 -4.630 0.729 1.00 1.00 C ATOM 486 CG HIS A 232 -7.778 -5.071 1.897 1.00 1.00 C ATOM 487 ND1 HIS A 232 -8.278 -5.787 2.964 1.00 1.00 N ATOM 488 CD2 HIS A 232 -6.469 -4.865 2.169 1.00 1.00 C ATOM 489 CE1 HIS A 232 -7.313 -5.997 3.840 1.00 1.00 C ATOM 490 NE2 HIS A 232 -6.205 -5.450 3.382 1.00 1.00 N ATOM 0 H HIS A 232 -9.672 -4.183 -1.419 1.00 1.00 H new ATOM 0 HA HIS A 232 -8.310 -6.420 -0.439 1.00 1.00 H new ATOM 0 HB2 HIS A 232 -8.025 -3.950 0.115 1.00 1.00 H new ATOM 0 HB3 HIS A 232 -9.466 -4.063 1.105 1.00 1.00 H new ATOM 0 HD2 HIS A 232 -5.762 -4.337 1.546 1.00 1.00 H new ATOM 0 HE1 HIS A 232 -7.415 -6.528 4.775 1.00 1.00 H new ATOM 0 HE2 HIS A 232 -5.300 -5.460 3.852 1.00 1.00 H new ATOM 499 N LYS A 233 -11.397 -6.106 0.640 1.00 1.00 N ATOM 500 CA LYS A 233 -12.475 -6.795 1.336 1.00 1.00 C ATOM 501 C LYS A 233 -13.029 -7.937 0.485 1.00 1.00 C ATOM 502 O LYS A 233 -13.280 -9.036 0.984 1.00 1.00 O ATOM 503 CB LYS A 233 -13.587 -5.796 1.677 1.00 1.00 C ATOM 504 CG LYS A 233 -14.272 -6.064 3.008 1.00 1.00 C ATOM 505 CD LYS A 233 -15.400 -7.070 2.871 1.00 1.00 C ATOM 506 CE LYS A 233 -16.004 -7.406 4.221 1.00 1.00 C ATOM 507 NZ LYS A 233 -15.127 -8.307 5.011 1.00 1.00 N ATOM 0 H LYS A 233 -11.674 -5.229 0.198 1.00 1.00 H new ATOM 0 HA LYS A 233 -12.081 -7.223 2.258 1.00 1.00 H new ATOM 0 HB2 LYS A 233 -13.166 -4.791 1.693 1.00 1.00 H new ATOM 0 HB3 LYS A 233 -14.335 -5.816 0.884 1.00 1.00 H new ATOM 0 HG2 LYS A 233 -13.540 -6.435 3.725 1.00 1.00 H new ATOM 0 HG3 LYS A 233 -14.665 -5.130 3.409 1.00 1.00 H new ATOM 0 HD2 LYS A 233 -16.172 -6.668 2.215 1.00 1.00 H new ATOM 0 HD3 LYS A 233 -15.025 -7.979 2.401 1.00 1.00 H new ATOM 0 HE2 LYS A 233 -16.178 -6.487 4.780 1.00 1.00 H new ATOM 0 HE3 LYS A 233 -16.975 -7.879 4.077 1.00 1.00 H new ATOM 0 HZ1 LYS A 233 -15.618 -8.594 5.881 1.00 1.00 H new ATOM 0 HZ2 LYS A 233 -14.899 -9.151 4.448 1.00 1.00 H new ATOM 0 HZ3 LYS A 233 -14.249 -7.808 5.258 1.00 1.00 H new ATOM 521 N MET A 234 -13.198 -7.669 -0.803 1.00 1.00 N ATOM 522 CA MET A 234 -13.735 -8.650 -1.739 1.00 1.00 C ATOM 523 C MET A 234 -12.820 -9.866 -1.873 1.00 1.00 C ATOM 524 O MET A 234 -13.246 -10.998 -1.651 1.00 1.00 O ATOM 525 CB MET A 234 -13.941 -7.999 -3.108 1.00 1.00 C ATOM 526 CG MET A 234 -14.652 -8.892 -4.109 1.00 1.00 C ATOM 527 SD MET A 234 -14.968 -8.055 -5.677 1.00 1.00 S ATOM 528 CE MET A 234 -15.963 -6.669 -5.130 1.00 1.00 C ATOM 0 H MET A 234 -12.968 -6.770 -1.228 1.00 1.00 H new ATOM 0 HA MET A 234 -14.691 -8.997 -1.348 1.00 1.00 H new ATOM 0 HB2 MET A 234 -14.516 -7.081 -2.981 1.00 1.00 H new ATOM 0 HB3 MET A 234 -12.971 -7.714 -3.514 1.00 1.00 H new ATOM 0 HG2 MET A 234 -14.049 -9.782 -4.290 1.00 1.00 H new ATOM 0 HG3 MET A 234 -15.597 -9.229 -3.684 1.00 1.00 H new ATOM 0 HE1 MET A 234 -16.551 -6.291 -5.966 1.00 1.00 H new ATOM 0 HE2 MET A 234 -16.632 -6.994 -4.333 1.00 1.00 H new ATOM 0 HE3 MET A 234 -15.312 -5.878 -4.758 1.00 1.00 H new ATOM 538 N ASN A 235 -11.565 -9.624 -2.222 1.00 1.00 N ATOM 539 CA ASN A 235 -10.593 -10.701 -2.399 1.00 1.00 C ATOM 540 C ASN A 235 -10.212 -11.311 -1.056 1.00 1.00 C ATOM 541 O ASN A 235 -9.926 -12.505 -0.965 1.00 1.00 O ATOM 542 CB ASN A 235 -9.341 -10.180 -3.114 1.00 1.00 C ATOM 543 CG ASN A 235 -8.402 -11.294 -3.550 1.00 1.00 C ATOM 544 OD1 ASN A 235 -7.124 -10.973 -3.694 1.00 1.00 O flip ATOM 545 ND2 ASN A 235 -8.824 -12.428 -3.771 1.00 1.00 N flip ATOM 0 H ASN A 235 -11.192 -8.690 -2.389 1.00 1.00 H new ATOM 0 HA ASN A 235 -11.053 -11.475 -3.013 1.00 1.00 H new ATOM 0 HB2 ASN A 235 -9.642 -9.602 -3.988 1.00 1.00 H new ATOM 0 HB3 ASN A 235 -8.807 -9.500 -2.451 1.00 1.00 H new ATOM 0 HD21 ASN A 235 -9.815 -12.636 -3.649 1.00 1.00 H new ATOM 0 HD22 ASN A 235 -8.183 -13.160 -4.077 1.00 1.00 H new ATOM 552 N GLY A 236 -10.203 -10.487 -0.017 1.00 1.00 N ATOM 553 CA GLY A 236 -9.864 -10.972 1.308 1.00 1.00 C ATOM 554 C GLY A 236 -8.384 -10.858 1.602 1.00 1.00 C ATOM 555 O GLY A 236 -7.952 -11.068 2.737 1.00 1.00 O ATOM 0 H GLY A 236 -10.424 -9.492 -0.067 1.00 1.00 H new ATOM 0 HA2 GLY A 236 -10.424 -10.407 2.053 1.00 1.00 H new ATOM 0 HA3 GLY A 236 -10.171 -12.014 1.400 1.00 1.00 H new ATOM 559 N GLN A 237 -7.606 -10.523 0.580 1.00 1.00 N ATOM 560 CA GLN A 237 -6.164 -10.379 0.731 1.00 1.00 C ATOM 561 C GLN A 237 -5.818 -9.057 1.400 1.00 1.00 C ATOM 562 O GLN A 237 -6.652 -8.153 1.489 1.00 1.00 O ATOM 563 CB GLN A 237 -5.466 -10.477 -0.623 1.00 1.00 C ATOM 564 CG GLN A 237 -5.167 -11.904 -1.042 1.00 1.00 C ATOM 565 CD GLN A 237 -4.104 -11.975 -2.117 1.00 1.00 C ATOM 566 OE1 GLN A 237 -2.850 -12.038 -1.704 1.00 1.00 O flip ATOM 567 NE2 GLN A 237 -4.408 -11.972 -3.310 1.00 1.00 N flip ATOM 0 H GLN A 237 -7.950 -10.346 -0.364 1.00 1.00 H new ATOM 0 HA GLN A 237 -5.813 -11.192 1.366 1.00 1.00 H new ATOM 0 HB2 GLN A 237 -6.092 -10.007 -1.381 1.00 1.00 H new ATOM 0 HB3 GLN A 237 -4.534 -9.914 -0.585 1.00 1.00 H new ATOM 0 HG2 GLN A 237 -4.841 -12.475 -0.173 1.00 1.00 H new ATOM 0 HG3 GLN A 237 -6.081 -12.373 -1.406 1.00 1.00 H new ATOM 0 HE21 GLN A 237 -5.389 -11.922 -3.586 1.00 1.00 H new ATOM 0 HE22 GLN A 237 -3.679 -12.019 -4.022 1.00 1.00 H new ATOM 576 N ASN A 238 -4.588 -8.950 1.864 1.00 1.00 N ATOM 577 CA ASN A 238 -4.131 -7.749 2.539 1.00 1.00 C ATOM 578 C ASN A 238 -3.484 -6.790 1.545 1.00 1.00 C ATOM 579 O ASN A 238 -3.036 -7.260 0.480 1.00 1.00 O ATOM 580 CB ASN A 238 -3.152 -8.113 3.658 1.00 1.00 C ATOM 581 CG ASN A 238 -3.126 -7.079 4.766 1.00 1.00 C ATOM 582 OD1 ASN A 238 -3.996 -6.211 4.843 1.00 1.00 O ATOM 583 ND2 ASN A 238 -2.138 -7.175 5.646 1.00 1.00 N ATOM 0 H ASN A 238 -3.884 -9.684 1.786 1.00 1.00 H new ATOM 0 HA ASN A 238 -4.991 -7.248 2.982 1.00 1.00 H new ATOM 0 HB2 ASN A 238 -3.427 -9.082 4.076 1.00 1.00 H new ATOM 0 HB3 ASN A 238 -2.151 -8.218 3.240 1.00 1.00 H new ATOM 0 HD21 ASN A 238 -2.080 -6.515 6.422 1.00 1.00 H new ATOM 0 HD22 ASN A 238 -1.436 -7.909 5.547 1.00 1.00 H new TER 590 ASN A 238 ATOM 591 N GLY B 1 15.779 -8.167 2.795 1.00 1.00 N ATOM 592 CA GLY B 1 17.209 -8.495 2.609 1.00 1.00 C ATOM 593 C GLY B 1 18.046 -7.258 2.378 1.00 1.00 C ATOM 594 O GLY B 1 17.781 -6.210 2.973 1.00 1.00 O ATOM 0 H1 GLY B 1 15.410 -8.679 3.622 1.00 1.00 H new ATOM 0 H2 GLY B 1 15.674 -7.143 2.947 1.00 1.00 H new ATOM 0 H3 GLY B 1 15.245 -8.448 1.948 1.00 1.00 H new ATOM 0 HA2 GLY B 1 17.577 -9.024 3.488 1.00 1.00 H new ATOM 0 HA3 GLY B 1 17.319 -9.171 1.761 1.00 1.00 H new ATOM 600 N SER B 2 19.060 -7.392 1.525 1.00 1.00 N ATOM 601 CA SER B 2 19.967 -6.299 1.168 1.00 1.00 C ATOM 602 C SER B 2 20.781 -5.805 2.367 1.00 1.00 C ATOM 603 O SER B 2 21.958 -6.130 2.501 1.00 1.00 O ATOM 604 CB SER B 2 19.191 -5.143 0.528 1.00 1.00 C ATOM 605 OG SER B 2 18.403 -5.604 -0.557 1.00 1.00 O ATOM 0 H SER B 2 19.279 -8.271 1.056 1.00 1.00 H new ATOM 0 HA SER B 2 20.676 -6.694 0.441 1.00 1.00 H new ATOM 0 HB2 SER B 2 18.551 -4.672 1.274 1.00 1.00 H new ATOM 0 HB3 SER B 2 19.888 -4.381 0.179 1.00 1.00 H new ATOM 0 HG SER B 2 17.915 -4.851 -0.950 1.00 1.00 H new ATOM 611 N LEU B 3 20.155 -5.035 3.242 1.00 1.00 N ATOM 612 CA LEU B 3 20.837 -4.497 4.408 1.00 1.00 C ATOM 613 C LEU B 3 20.157 -4.967 5.691 1.00 1.00 C ATOM 614 O LEU B 3 20.406 -4.427 6.769 1.00 1.00 O ATOM 615 CB LEU B 3 20.852 -2.967 4.337 1.00 1.00 C ATOM 616 CG LEU B 3 21.902 -2.274 5.210 1.00 1.00 C ATOM 617 CD1 LEU B 3 23.280 -2.876 4.982 1.00 1.00 C ATOM 618 CD2 LEU B 3 21.921 -0.779 4.926 1.00 1.00 C ATOM 0 H LEU B 3 19.173 -4.768 3.167 1.00 1.00 H new ATOM 0 HA LEU B 3 21.864 -4.861 4.417 1.00 1.00 H new ATOM 0 HB2 LEU B 3 21.015 -2.671 3.301 1.00 1.00 H new ATOM 0 HB3 LEU B 3 19.867 -2.598 4.623 1.00 1.00 H new ATOM 0 HG LEU B 3 21.634 -2.428 6.255 1.00 1.00 H new ATOM 0 HD11 LEU B 3 24.008 -2.367 5.613 1.00 1.00 H new ATOM 0 HD12 LEU B 3 23.260 -3.936 5.234 1.00 1.00 H new ATOM 0 HD13 LEU B 3 23.561 -2.757 3.936 1.00 1.00 H new ATOM 0 HD21 LEU B 3 22.672 -0.299 5.554 1.00 1.00 H new ATOM 0 HD22 LEU B 3 22.164 -0.611 3.877 1.00 1.00 H new ATOM 0 HD23 LEU B 3 20.941 -0.355 5.144 1.00 1.00 H new ATOM 630 N LEU B 4 19.293 -5.975 5.550 1.00 1.00 N ATOM 631 CA LEU B 4 18.545 -6.560 6.671 1.00 1.00 C ATOM 632 C LEU B 4 17.455 -5.609 7.163 1.00 1.00 C ATOM 633 O LEU B 4 16.277 -5.958 7.180 1.00 1.00 O ATOM 634 CB LEU B 4 19.477 -6.958 7.825 1.00 1.00 C ATOM 635 CG LEU B 4 20.038 -8.383 7.751 1.00 1.00 C ATOM 636 CD1 LEU B 4 18.909 -9.401 7.740 1.00 1.00 C ATOM 637 CD2 LEU B 4 20.927 -8.552 6.527 1.00 1.00 C ATOM 0 H LEU B 4 19.090 -6.412 4.651 1.00 1.00 H new ATOM 0 HA LEU B 4 18.066 -7.467 6.302 1.00 1.00 H new ATOM 0 HB2 LEU B 4 20.312 -6.257 7.855 1.00 1.00 H new ATOM 0 HB3 LEU B 4 18.934 -6.847 8.764 1.00 1.00 H new ATOM 0 HG LEU B 4 20.648 -8.556 8.638 1.00 1.00 H new ATOM 0 HD11 LEU B 4 19.326 -10.407 7.687 1.00 1.00 H new ATOM 0 HD12 LEU B 4 18.319 -9.300 8.651 1.00 1.00 H new ATOM 0 HD13 LEU B 4 18.271 -9.227 6.874 1.00 1.00 H new ATOM 0 HD21 LEU B 4 21.313 -9.571 6.496 1.00 1.00 H new ATOM 0 HD22 LEU B 4 20.346 -8.356 5.626 1.00 1.00 H new ATOM 0 HD23 LEU B 4 21.759 -7.850 6.582 1.00 1.00 H new ATOM 649 N LYS B 5 17.847 -4.413 7.561 1.00 1.00 N ATOM 650 CA LYS B 5 16.899 -3.417 8.026 1.00 1.00 C ATOM 651 C LYS B 5 16.661 -2.385 6.933 1.00 1.00 C ATOM 652 O LYS B 5 17.531 -1.561 6.647 1.00 1.00 O ATOM 653 CB LYS B 5 17.403 -2.741 9.304 1.00 1.00 C ATOM 654 CG LYS B 5 17.105 -3.530 10.572 1.00 1.00 C ATOM 655 CD LYS B 5 15.708 -3.238 11.109 1.00 1.00 C ATOM 656 CE LYS B 5 14.637 -4.020 10.365 1.00 1.00 C ATOM 657 NZ LYS B 5 13.274 -3.710 10.870 1.00 1.00 N ATOM 0 H LYS B 5 18.820 -4.107 7.572 1.00 1.00 H new ATOM 0 HA LYS B 5 15.956 -3.912 8.259 1.00 1.00 H new ATOM 0 HB2 LYS B 5 18.480 -2.591 9.225 1.00 1.00 H new ATOM 0 HB3 LYS B 5 16.949 -1.754 9.386 1.00 1.00 H new ATOM 0 HG2 LYS B 5 17.199 -4.596 10.367 1.00 1.00 H new ATOM 0 HG3 LYS B 5 17.845 -3.286 11.334 1.00 1.00 H new ATOM 0 HD2 LYS B 5 15.668 -3.487 12.169 1.00 1.00 H new ATOM 0 HD3 LYS B 5 15.503 -2.171 11.024 1.00 1.00 H new ATOM 0 HE2 LYS B 5 14.691 -3.789 9.301 1.00 1.00 H new ATOM 0 HE3 LYS B 5 14.829 -5.088 10.469 1.00 1.00 H new ATOM 0 HZ1 LYS B 5 12.572 -4.263 10.337 1.00 1.00 H new ATOM 0 HZ2 LYS B 5 13.214 -3.954 11.879 1.00 1.00 H new ATOM 0 HZ3 LYS B 5 13.081 -2.696 10.747 1.00 1.00 H new ATOM 671 N PRO B 6 15.490 -2.439 6.282 1.00 1.00 N ATOM 672 CA PRO B 6 15.144 -1.510 5.209 1.00 1.00 C ATOM 673 C PRO B 6 14.792 -0.121 5.732 1.00 1.00 C ATOM 674 O PRO B 6 13.728 0.086 6.314 1.00 1.00 O ATOM 675 CB PRO B 6 13.927 -2.165 4.552 1.00 1.00 C ATOM 676 CG PRO B 6 13.296 -2.972 5.634 1.00 1.00 C ATOM 677 CD PRO B 6 14.413 -3.417 6.539 1.00 1.00 C ATOM 0 HA PRO B 6 15.977 -1.348 4.525 1.00 1.00 H new ATOM 0 HB2 PRO B 6 13.237 -1.416 4.164 1.00 1.00 H new ATOM 0 HB3 PRO B 6 14.222 -2.793 3.711 1.00 1.00 H new ATOM 0 HG2 PRO B 6 12.564 -2.380 6.183 1.00 1.00 H new ATOM 0 HG3 PRO B 6 12.766 -3.830 5.220 1.00 1.00 H new ATOM 0 HD2 PRO B 6 14.107 -3.408 7.585 1.00 1.00 H new ATOM 0 HD3 PRO B 6 14.733 -4.433 6.309 1.00 1.00 H new ATOM 685 N ALA B 7 15.700 0.823 5.537 1.00 1.00 N ATOM 686 CA ALA B 7 15.482 2.191 5.980 1.00 1.00 C ATOM 687 C ALA B 7 14.832 3.015 4.879 1.00 1.00 C ATOM 688 O ALA B 7 14.284 4.088 5.129 1.00 1.00 O ATOM 689 CB ALA B 7 16.797 2.823 6.411 1.00 1.00 C ATOM 0 H ALA B 7 16.596 0.666 5.074 1.00 1.00 H new ATOM 0 HA ALA B 7 14.808 2.172 6.836 1.00 1.00 H new ATOM 0 HB1 ALA B 7 16.618 3.847 6.740 1.00 1.00 H new ATOM 0 HB2 ALA B 7 17.225 2.248 7.232 1.00 1.00 H new ATOM 0 HB3 ALA B 7 17.491 2.828 5.570 1.00 1.00 H new ATOM 695 N ARG B 8 14.903 2.509 3.656 1.00 1.00 N ATOM 696 CA ARG B 8 14.327 3.194 2.509 1.00 1.00 C ATOM 697 C ARG B 8 12.816 3.011 2.468 1.00 1.00 C ATOM 698 O ARG B 8 12.310 1.907 2.655 1.00 1.00 O ATOM 699 CB ARG B 8 14.944 2.676 1.207 1.00 1.00 C ATOM 700 CG ARG B 8 16.245 3.362 0.827 1.00 1.00 C ATOM 701 CD ARG B 8 16.058 4.864 0.695 1.00 1.00 C ATOM 702 NE ARG B 8 17.220 5.512 0.102 1.00 1.00 N ATOM 703 CZ ARG B 8 18.027 6.341 0.756 1.00 1.00 C ATOM 704 NH1 ARG B 8 17.810 6.626 2.035 1.00 1.00 N ATOM 705 NH2 ARG B 8 19.051 6.891 0.125 1.00 1.00 N ATOM 0 H ARG B 8 15.356 1.623 3.433 1.00 1.00 H new ATOM 0 HA ARG B 8 14.548 4.256 2.611 1.00 1.00 H new ATOM 0 HB2 ARG B 8 15.124 1.605 1.302 1.00 1.00 H new ATOM 0 HB3 ARG B 8 14.225 2.808 0.398 1.00 1.00 H new ATOM 0 HG2 ARG B 8 17.003 3.153 1.582 1.00 1.00 H new ATOM 0 HG3 ARG B 8 16.612 2.955 -0.115 1.00 1.00 H new ATOM 0 HD2 ARG B 8 15.179 5.067 0.083 1.00 1.00 H new ATOM 0 HD3 ARG B 8 15.867 5.293 1.679 1.00 1.00 H new ATOM 0 HE ARG B 8 17.428 5.317 -0.877 1.00 1.00 H new ATOM 0 HH11 ARG B 8 17.019 6.207 2.524 1.00 1.00 H new ATOM 0 HH12 ARG B 8 18.435 7.263 2.529 1.00 1.00 H new ATOM 0 HH21 ARG B 8 19.218 6.678 -0.858 1.00 1.00 H new ATOM 0 HH22 ARG B 8 19.674 7.528 0.622 1.00 1.00 H new ATOM 719 N PHE B 9 12.106 4.100 2.217 1.00 1.00 N ATOM 720 CA PHE B 9 10.653 4.067 2.145 1.00 1.00 C ATOM 721 C PHE B 9 10.178 4.598 0.796 1.00 1.00 C ATOM 722 O PHE B 9 9.131 5.229 0.696 1.00 1.00 O ATOM 723 CB PHE B 9 10.038 4.883 3.293 1.00 1.00 C ATOM 724 CG PHE B 9 10.669 6.237 3.499 1.00 1.00 C ATOM 725 CD1 PHE B 9 10.229 7.343 2.785 1.00 1.00 C ATOM 726 CD2 PHE B 9 11.700 6.404 4.411 1.00 1.00 C ATOM 727 CE1 PHE B 9 10.807 8.584 2.973 1.00 1.00 C ATOM 728 CE2 PHE B 9 12.282 7.643 4.602 1.00 1.00 C ATOM 729 CZ PHE B 9 11.833 8.734 3.883 1.00 1.00 C ATOM 0 H PHE B 9 12.514 5.021 2.059 1.00 1.00 H new ATOM 0 HA PHE B 9 10.324 3.033 2.246 1.00 1.00 H new ATOM 0 HB2 PHE B 9 8.974 5.017 3.099 1.00 1.00 H new ATOM 0 HB3 PHE B 9 10.124 4.311 4.217 1.00 1.00 H new ATOM 0 HD1 PHE B 9 9.424 7.232 2.073 1.00 1.00 H new ATOM 0 HD2 PHE B 9 12.053 5.556 4.979 1.00 1.00 H new ATOM 0 HE1 PHE B 9 10.456 9.435 2.408 1.00 1.00 H new ATOM 0 HE2 PHE B 9 13.087 7.758 5.313 1.00 1.00 H new ATOM 0 HZ PHE B 9 12.285 9.703 4.033 1.00 1.00 H new ATOM 739 N MET B 10 10.960 4.338 -0.242 1.00 1.00 N ATOM 740 CA MET B 10 10.622 4.788 -1.584 1.00 1.00 C ATOM 741 C MET B 10 11.168 3.813 -2.614 1.00 1.00 C ATOM 742 O MET B 10 12.322 3.388 -2.525 1.00 1.00 O ATOM 743 CB MET B 10 11.184 6.194 -1.837 1.00 1.00 C ATOM 744 CG MET B 10 11.022 6.672 -3.274 1.00 1.00 C ATOM 745 SD MET B 10 11.734 8.308 -3.552 1.00 1.00 S ATOM 746 CE MET B 10 11.951 8.273 -5.332 1.00 1.00 C ATOM 0 H MET B 10 11.835 3.817 -0.180 1.00 1.00 H new ATOM 0 HA MET B 10 9.536 4.828 -1.674 1.00 1.00 H new ATOM 0 HB2 MET B 10 10.686 6.899 -1.171 1.00 1.00 H new ATOM 0 HB3 MET B 10 12.243 6.204 -1.578 1.00 1.00 H new ATOM 0 HG2 MET B 10 11.495 5.956 -3.946 1.00 1.00 H new ATOM 0 HG3 MET B 10 9.962 6.694 -3.527 1.00 1.00 H new ATOM 0 HE1 MET B 10 12.384 9.216 -5.664 1.00 1.00 H new ATOM 0 HE2 MET B 10 12.617 7.453 -5.601 1.00 1.00 H new ATOM 0 HE3 MET B 10 10.984 8.128 -5.814 1.00 1.00 H new ATOM 756 N CYS B 11 10.333 3.439 -3.569 1.00 1.00 N ATOM 757 CA CYS B 11 10.739 2.520 -4.612 1.00 1.00 C ATOM 758 C CYS B 11 11.218 3.276 -5.843 1.00 1.00 C ATOM 759 O CYS B 11 10.443 3.972 -6.503 1.00 1.00 O ATOM 760 CB CYS B 11 9.585 1.600 -4.981 1.00 1.00 C ATOM 761 SG CYS B 11 8.942 0.625 -3.584 1.00 1.00 S ATOM 0 H CYS B 11 9.368 3.760 -3.641 1.00 1.00 H new ATOM 0 HA CYS B 11 11.566 1.919 -4.234 1.00 1.00 H new ATOM 0 HB2 CYS B 11 8.775 2.199 -5.397 1.00 1.00 H new ATOM 0 HB3 CYS B 11 9.913 0.919 -5.766 1.00 1.00 H new ATOM 766 N LEU B 12 12.500 3.138 -6.133 1.00 1.00 N ATOM 767 CA LEU B 12 13.104 3.786 -7.288 1.00 1.00 C ATOM 768 C LEU B 12 12.541 3.228 -8.604 1.00 1.00 C ATOM 769 O LEU B 12 12.196 4.005 -9.496 1.00 1.00 O ATOM 770 CB LEU B 12 14.627 3.637 -7.249 1.00 1.00 C ATOM 771 CG LEU B 12 15.286 4.151 -5.969 1.00 1.00 C ATOM 772 CD1 LEU B 12 15.944 3.011 -5.205 1.00 1.00 C ATOM 773 CD2 LEU B 12 16.304 5.231 -6.291 1.00 1.00 C ATOM 0 H LEU B 12 13.149 2.578 -5.580 1.00 1.00 H new ATOM 0 HA LEU B 12 12.854 4.846 -7.244 1.00 1.00 H new ATOM 0 HB2 LEU B 12 14.879 2.584 -7.374 1.00 1.00 H new ATOM 0 HB3 LEU B 12 15.053 4.169 -8.100 1.00 1.00 H new ATOM 0 HG LEU B 12 14.510 4.583 -5.337 1.00 1.00 H new ATOM 0 HD11 LEU B 12 16.406 3.400 -4.298 1.00 1.00 H new ATOM 0 HD12 LEU B 12 15.191 2.269 -4.939 1.00 1.00 H new ATOM 0 HD13 LEU B 12 16.706 2.546 -5.830 1.00 1.00 H new ATOM 0 HD21 LEU B 12 16.763 5.585 -5.368 1.00 1.00 H new ATOM 0 HD22 LEU B 12 17.074 4.822 -6.945 1.00 1.00 H new ATOM 0 HD23 LEU B 12 15.807 6.062 -6.791 1.00 1.00 H new ATOM 785 N PRO B 13 12.460 1.883 -8.769 1.00 1.00 N ATOM 786 CA PRO B 13 11.913 1.275 -9.991 1.00 1.00 C ATOM 787 C PRO B 13 10.478 1.720 -10.273 1.00 1.00 C ATOM 788 O PRO B 13 10.166 2.179 -11.373 1.00 1.00 O ATOM 789 CB PRO B 13 11.962 -0.229 -9.702 1.00 1.00 C ATOM 790 CG PRO B 13 13.019 -0.381 -8.668 1.00 1.00 C ATOM 791 CD PRO B 13 12.926 0.849 -7.818 1.00 1.00 C ATOM 0 HA PRO B 13 12.479 1.568 -10.875 1.00 1.00 H new ATOM 0 HB2 PRO B 13 11.000 -0.594 -9.342 1.00 1.00 H new ATOM 0 HB3 PRO B 13 12.203 -0.797 -10.601 1.00 1.00 H new ATOM 0 HG2 PRO B 13 12.861 -1.281 -8.074 1.00 1.00 H new ATOM 0 HG3 PRO B 13 14.005 -0.469 -9.124 1.00 1.00 H new ATOM 0 HD2 PRO B 13 12.226 0.716 -6.993 1.00 1.00 H new ATOM 0 HD3 PRO B 13 13.890 1.110 -7.380 1.00 1.00 H new ATOM 799 N CYS B 14 9.611 1.590 -9.276 1.00 1.00 N ATOM 800 CA CYS B 14 8.216 1.975 -9.423 1.00 1.00 C ATOM 801 C CYS B 14 8.082 3.477 -9.662 1.00 1.00 C ATOM 802 O CYS B 14 7.333 3.914 -10.536 1.00 1.00 O ATOM 803 CB CYS B 14 7.442 1.572 -8.171 1.00 1.00 C ATOM 804 SG CYS B 14 8.151 0.136 -7.303 1.00 1.00 S ATOM 0 H CYS B 14 9.852 1.220 -8.356 1.00 1.00 H new ATOM 0 HA CYS B 14 7.803 1.459 -10.290 1.00 1.00 H new ATOM 0 HB2 CYS B 14 7.409 2.419 -7.486 1.00 1.00 H new ATOM 0 HB3 CYS B 14 6.412 1.346 -8.448 1.00 1.00 H new ATOM 809 N GLY B 15 8.804 4.258 -8.873 1.00 1.00 N ATOM 810 CA GLY B 15 8.751 5.698 -9.009 1.00 1.00 C ATOM 811 C GLY B 15 7.692 6.307 -8.116 1.00 1.00 C ATOM 812 O GLY B 15 7.494 7.524 -8.109 1.00 1.00 O ATOM 0 H GLY B 15 9.427 3.919 -8.140 1.00 1.00 H new ATOM 0 HA2 GLY B 15 9.724 6.123 -8.761 1.00 1.00 H new ATOM 0 HA3 GLY B 15 8.545 5.958 -10.047 1.00 1.00 H new ATOM 816 N ILE B 16 7.008 5.453 -7.369 1.00 1.00 N ATOM 817 CA ILE B 16 5.967 5.893 -6.457 1.00 1.00 C ATOM 818 C ILE B 16 6.576 6.178 -5.090 1.00 1.00 C ATOM 819 O ILE B 16 7.093 5.276 -4.425 1.00 1.00 O ATOM 820 CB ILE B 16 4.833 4.839 -6.331 1.00 1.00 C ATOM 821 CG1 ILE B 16 4.072 4.700 -7.652 1.00 1.00 C ATOM 822 CG2 ILE B 16 3.857 5.202 -5.217 1.00 1.00 C ATOM 823 CD1 ILE B 16 4.642 3.658 -8.588 1.00 1.00 C ATOM 0 H ILE B 16 7.158 4.444 -7.378 1.00 1.00 H new ATOM 0 HA ILE B 16 5.524 6.804 -6.859 1.00 1.00 H new ATOM 0 HB ILE B 16 5.302 3.887 -6.085 1.00 1.00 H new ATOM 0 HG12 ILE B 16 3.034 4.449 -7.436 1.00 1.00 H new ATOM 0 HG13 ILE B 16 4.068 5.665 -8.159 1.00 1.00 H new ATOM 0 HG21 ILE B 16 3.076 4.444 -5.156 1.00 1.00 H new ATOM 0 HG22 ILE B 16 4.390 5.251 -4.268 1.00 1.00 H new ATOM 0 HG23 ILE B 16 3.406 6.171 -5.430 1.00 1.00 H new ATOM 0 HD11 ILE B 16 4.046 3.623 -9.500 1.00 1.00 H new ATOM 0 HD12 ILE B 16 5.671 3.917 -8.837 1.00 1.00 H new ATOM 0 HD13 ILE B 16 4.621 2.682 -8.103 1.00 1.00 H new ATOM 835 N ALA B 17 6.539 7.442 -4.696 1.00 1.00 N ATOM 836 CA ALA B 17 7.087 7.867 -3.417 1.00 1.00 C ATOM 837 C ALA B 17 6.175 7.440 -2.278 1.00 1.00 C ATOM 838 O ALA B 17 4.996 7.796 -2.244 1.00 1.00 O ATOM 839 CB ALA B 17 7.286 9.375 -3.403 1.00 1.00 C ATOM 0 H ALA B 17 6.132 8.196 -5.249 1.00 1.00 H new ATOM 0 HA ALA B 17 8.056 7.388 -3.279 1.00 1.00 H new ATOM 0 HB1 ALA B 17 7.696 9.679 -2.440 1.00 1.00 H new ATOM 0 HB2 ALA B 17 7.976 9.658 -4.197 1.00 1.00 H new ATOM 0 HB3 ALA B 17 6.328 9.870 -3.561 1.00 1.00 H new ATOM 845 N PHE B 18 6.726 6.676 -1.350 1.00 1.00 N ATOM 846 CA PHE B 18 5.965 6.194 -0.216 1.00 1.00 C ATOM 847 C PHE B 18 6.338 6.957 1.046 1.00 1.00 C ATOM 848 O PHE B 18 7.332 7.685 1.077 1.00 1.00 O ATOM 849 CB PHE B 18 6.196 4.696 -0.023 1.00 1.00 C ATOM 850 CG PHE B 18 4.943 3.886 -0.144 1.00 1.00 C ATOM 851 CD1 PHE B 18 4.192 3.919 -1.305 1.00 1.00 C ATOM 852 CD2 PHE B 18 4.512 3.098 0.908 1.00 1.00 C ATOM 853 CE1 PHE B 18 3.033 3.180 -1.413 1.00 1.00 C ATOM 854 CE2 PHE B 18 3.354 2.358 0.805 1.00 1.00 C ATOM 855 CZ PHE B 18 2.613 2.398 -0.357 1.00 1.00 C ATOM 0 H PHE B 18 7.701 6.377 -1.362 1.00 1.00 H new ATOM 0 HA PHE B 18 4.906 6.362 -0.415 1.00 1.00 H new ATOM 0 HB2 PHE B 18 6.919 4.348 -0.761 1.00 1.00 H new ATOM 0 HB3 PHE B 18 6.637 4.526 0.959 1.00 1.00 H new ATOM 0 HD1 PHE B 18 4.516 4.529 -2.135 1.00 1.00 H new ATOM 0 HD2 PHE B 18 5.089 3.062 1.820 1.00 1.00 H new ATOM 0 HE1 PHE B 18 2.454 3.213 -2.324 1.00 1.00 H new ATOM 0 HE2 PHE B 18 3.027 1.747 1.634 1.00 1.00 H new ATOM 0 HZ PHE B 18 1.706 1.818 -0.440 1.00 1.00 H new ATOM 865 N SER B 19 5.526 6.796 2.074 1.00 1.00 N ATOM 866 CA SER B 19 5.746 7.460 3.344 1.00 1.00 C ATOM 867 C SER B 19 5.365 6.544 4.503 1.00 1.00 C ATOM 868 O SER B 19 5.893 6.670 5.611 1.00 1.00 O ATOM 869 CB SER B 19 4.925 8.757 3.398 1.00 1.00 C ATOM 870 OG SER B 19 4.679 9.168 4.736 1.00 1.00 O ATOM 0 H SER B 19 4.697 6.202 2.052 1.00 1.00 H new ATOM 0 HA SER B 19 6.805 7.702 3.436 1.00 1.00 H new ATOM 0 HB2 SER B 19 5.456 9.547 2.867 1.00 1.00 H new ATOM 0 HB3 SER B 19 3.976 8.609 2.883 1.00 1.00 H new ATOM 0 HG SER B 19 4.451 10.121 4.749 1.00 1.00 H new ATOM 876 N SER B 20 4.440 5.631 4.251 1.00 1.00 N ATOM 877 CA SER B 20 3.982 4.707 5.272 1.00 1.00 C ATOM 878 C SER B 20 4.527 3.300 5.023 1.00 1.00 C ATOM 879 O SER B 20 4.103 2.612 4.094 1.00 1.00 O ATOM 880 CB SER B 20 2.453 4.694 5.293 1.00 1.00 C ATOM 881 OG SER B 20 1.931 5.980 4.984 1.00 1.00 O ATOM 0 H SER B 20 3.991 5.511 3.343 1.00 1.00 H new ATOM 0 HA SER B 20 4.355 5.039 6.241 1.00 1.00 H new ATOM 0 HB2 SER B 20 2.082 3.964 4.574 1.00 1.00 H new ATOM 0 HB3 SER B 20 2.101 4.381 6.276 1.00 1.00 H new ATOM 0 HG SER B 20 1.600 5.986 4.062 1.00 1.00 H new ATOM 887 N PRO B 21 5.482 2.854 5.858 1.00 1.00 N ATOM 888 CA PRO B 21 6.089 1.523 5.738 1.00 1.00 C ATOM 889 C PRO B 21 5.070 0.401 5.939 1.00 1.00 C ATOM 890 O PRO B 21 5.274 -0.724 5.485 1.00 1.00 O ATOM 891 CB PRO B 21 7.138 1.497 6.858 1.00 1.00 C ATOM 892 CG PRO B 21 7.368 2.926 7.212 1.00 1.00 C ATOM 893 CD PRO B 21 6.056 3.618 6.977 1.00 1.00 C ATOM 0 HA PRO B 21 6.507 1.359 4.745 1.00 1.00 H new ATOM 0 HB2 PRO B 21 6.781 0.931 7.718 1.00 1.00 H new ATOM 0 HB3 PRO B 21 8.060 1.021 6.523 1.00 1.00 H new ATOM 0 HG2 PRO B 21 7.683 3.026 8.251 1.00 1.00 H new ATOM 0 HG3 PRO B 21 8.156 3.360 6.596 1.00 1.00 H new ATOM 0 HD2 PRO B 21 5.417 3.585 7.860 1.00 1.00 H new ATOM 0 HD3 PRO B 21 6.193 4.669 6.722 1.00 1.00 H new ATOM 901 N SER B 22 3.972 0.721 6.614 1.00 1.00 N ATOM 902 CA SER B 22 2.917 -0.244 6.879 1.00 1.00 C ATOM 903 C SER B 22 2.230 -0.672 5.583 1.00 1.00 C ATOM 904 O SER B 22 1.926 -1.848 5.385 1.00 1.00 O ATOM 905 CB SER B 22 1.901 0.374 7.838 1.00 1.00 C ATOM 906 OG SER B 22 2.183 1.753 8.036 1.00 1.00 O ATOM 0 H SER B 22 3.791 1.652 6.990 1.00 1.00 H new ATOM 0 HA SER B 22 3.356 -1.133 7.333 1.00 1.00 H new ATOM 0 HB2 SER B 22 0.894 0.256 7.437 1.00 1.00 H new ATOM 0 HB3 SER B 22 1.927 -0.150 8.793 1.00 1.00 H new ATOM 0 HG SER B 22 1.524 2.137 8.651 1.00 1.00 H new ATOM 912 N THR B 23 2.006 0.285 4.695 1.00 1.00 N ATOM 913 CA THR B 23 1.356 0.012 3.427 1.00 1.00 C ATOM 914 C THR B 23 2.312 -0.672 2.450 1.00 1.00 C ATOM 915 O THR B 23 1.881 -1.391 1.548 1.00 1.00 O ATOM 916 CB THR B 23 0.818 1.309 2.803 1.00 1.00 C ATOM 917 OG1 THR B 23 1.100 2.414 3.669 1.00 1.00 O ATOM 918 CG2 THR B 23 -0.680 1.217 2.573 1.00 1.00 C ATOM 0 H THR B 23 2.267 1.261 4.833 1.00 1.00 H new ATOM 0 HA THR B 23 0.522 -0.662 3.624 1.00 1.00 H new ATOM 0 HB THR B 23 1.310 1.458 1.842 1.00 1.00 H new ATOM 0 HG1 THR B 23 0.598 3.201 3.370 1.00 1.00 H new ATOM 0 HG21 THR B 23 -1.038 2.147 2.131 1.00 1.00 H new ATOM 0 HG22 THR B 23 -0.894 0.388 1.898 1.00 1.00 H new ATOM 0 HG23 THR B 23 -1.185 1.050 3.525 1.00 1.00 H new ATOM 926 N LEU B 24 3.614 -0.468 2.655 1.00 1.00 N ATOM 927 CA LEU B 24 4.643 -1.059 1.793 1.00 1.00 C ATOM 928 C LEU B 24 4.492 -2.578 1.687 1.00 1.00 C ATOM 929 O LEU B 24 4.908 -3.180 0.696 1.00 1.00 O ATOM 930 CB LEU B 24 6.040 -0.710 2.307 1.00 1.00 C ATOM 931 CG LEU B 24 6.701 0.495 1.636 1.00 1.00 C ATOM 932 CD1 LEU B 24 8.066 0.768 2.250 1.00 1.00 C ATOM 933 CD2 LEU B 24 6.832 0.260 0.138 1.00 1.00 C ATOM 0 H LEU B 24 3.984 0.105 3.414 1.00 1.00 H new ATOM 0 HA LEU B 24 4.511 -0.638 0.797 1.00 1.00 H new ATOM 0 HB2 LEU B 24 5.978 -0.520 3.378 1.00 1.00 H new ATOM 0 HB3 LEU B 24 6.685 -1.578 2.174 1.00 1.00 H new ATOM 0 HG LEU B 24 6.070 1.369 1.799 1.00 1.00 H new ATOM 0 HD11 LEU B 24 8.520 1.629 1.759 1.00 1.00 H new ATOM 0 HD12 LEU B 24 7.951 0.975 3.314 1.00 1.00 H new ATOM 0 HD13 LEU B 24 8.706 -0.105 2.117 1.00 1.00 H new ATOM 0 HD21 LEU B 24 7.304 1.126 -0.326 1.00 1.00 H new ATOM 0 HD22 LEU B 24 7.443 -0.625 -0.039 1.00 1.00 H new ATOM 0 HD23 LEU B 24 5.843 0.111 -0.295 1.00 1.00 H new ATOM 945 N GLU B 25 3.885 -3.185 2.705 1.00 1.00 N ATOM 946 CA GLU B 25 3.655 -4.626 2.729 1.00 1.00 C ATOM 947 C GLU B 25 2.806 -5.053 1.529 1.00 1.00 C ATOM 948 O GLU B 25 2.989 -6.136 0.975 1.00 1.00 O ATOM 949 CB GLU B 25 2.961 -5.012 4.039 1.00 1.00 C ATOM 950 CG GLU B 25 2.648 -6.494 4.167 1.00 1.00 C ATOM 951 CD GLU B 25 1.878 -6.810 5.432 1.00 1.00 C ATOM 952 OE1 GLU B 25 1.216 -5.898 5.969 1.00 1.00 O ATOM 953 OE2 GLU B 25 1.938 -7.966 5.901 1.00 1.00 O ATOM 0 H GLU B 25 3.541 -2.695 3.531 1.00 1.00 H new ATOM 0 HA GLU B 25 4.614 -5.141 2.667 1.00 1.00 H new ATOM 0 HB2 GLU B 25 3.594 -4.713 4.874 1.00 1.00 H new ATOM 0 HB3 GLU B 25 2.032 -4.448 4.125 1.00 1.00 H new ATOM 0 HG2 GLU B 25 2.070 -6.817 3.302 1.00 1.00 H new ATOM 0 HG3 GLU B 25 3.578 -7.062 4.159 1.00 1.00 H new ATOM 960 N ALA B 26 1.888 -4.183 1.126 1.00 1.00 N ATOM 961 CA ALA B 26 1.015 -4.455 -0.008 1.00 1.00 C ATOM 962 C ALA B 26 1.591 -3.855 -1.285 1.00 1.00 C ATOM 963 O ALA B 26 1.345 -4.348 -2.385 1.00 1.00 O ATOM 964 CB ALA B 26 -0.382 -3.916 0.261 1.00 1.00 C ATOM 0 H ALA B 26 1.729 -3.279 1.571 1.00 1.00 H new ATOM 0 HA ALA B 26 0.947 -5.534 -0.143 1.00 1.00 H new ATOM 0 HB1 ALA B 26 -1.024 -4.126 -0.594 1.00 1.00 H new ATOM 0 HB2 ALA B 26 -0.792 -4.396 1.149 1.00 1.00 H new ATOM 0 HB3 ALA B 26 -0.332 -2.839 0.421 1.00 1.00 H new ATOM 970 N HIS B 27 2.374 -2.792 -1.136 1.00 1.00 N ATOM 971 CA HIS B 27 2.982 -2.137 -2.285 1.00 1.00 C ATOM 972 C HIS B 27 3.957 -3.087 -2.972 1.00 1.00 C ATOM 973 O HIS B 27 3.948 -3.218 -4.196 1.00 1.00 O ATOM 974 CB HIS B 27 3.689 -0.841 -1.867 1.00 1.00 C ATOM 975 CG HIS B 27 4.301 -0.084 -3.009 1.00 1.00 C ATOM 976 ND1 HIS B 27 3.698 0.983 -3.645 1.00 1.00 N ATOM 977 CD2 HIS B 27 5.495 -0.261 -3.627 1.00 1.00 C ATOM 978 CE1 HIS B 27 4.533 1.409 -4.608 1.00 1.00 C ATOM 979 NE2 HIS B 27 5.636 0.683 -4.635 1.00 1.00 N ATOM 0 H HIS B 27 2.601 -2.369 -0.236 1.00 1.00 H new ATOM 0 HA HIS B 27 2.194 -1.873 -2.991 1.00 1.00 H new ATOM 0 HB2 HIS B 27 2.972 -0.196 -1.359 1.00 1.00 H new ATOM 0 HB3 HIS B 27 4.469 -1.081 -1.144 1.00 1.00 H new ATOM 0 HD1 HIS B 27 2.784 1.377 -3.424 1.00 1.00 H new ATOM 0 HD2 HIS B 27 6.223 -1.018 -3.374 1.00 1.00 H new ATOM 0 HE1 HIS B 27 4.329 2.236 -5.272 1.00 1.00 H new ATOM 987 N GLN B 28 4.764 -3.776 -2.172 1.00 1.00 N ATOM 988 CA GLN B 28 5.742 -4.727 -2.695 1.00 1.00 C ATOM 989 C GLN B 28 5.072 -6.064 -3.002 1.00 1.00 C ATOM 990 O GLN B 28 5.558 -7.131 -2.616 1.00 1.00 O ATOM 991 CB GLN B 28 6.876 -4.923 -1.689 1.00 1.00 C ATOM 992 CG GLN B 28 7.647 -3.650 -1.385 1.00 1.00 C ATOM 993 CD GLN B 28 9.112 -3.755 -1.763 1.00 1.00 C ATOM 994 OE1 GLN B 28 9.946 -4.178 -0.959 1.00 1.00 O ATOM 995 NE2 GLN B 28 9.438 -3.375 -2.988 1.00 1.00 N ATOM 0 H GLN B 28 4.761 -3.694 -1.155 1.00 1.00 H new ATOM 0 HA GLN B 28 6.158 -4.326 -3.620 1.00 1.00 H new ATOM 0 HB2 GLN B 28 6.463 -5.318 -0.761 1.00 1.00 H new ATOM 0 HB3 GLN B 28 7.567 -5.673 -2.075 1.00 1.00 H new ATOM 0 HG2 GLN B 28 7.195 -2.817 -1.924 1.00 1.00 H new ATOM 0 HG3 GLN B 28 7.565 -3.424 -0.322 1.00 1.00 H new ATOM 0 HE21 GLN B 28 8.718 -3.031 -3.624 1.00 1.00 H new ATOM 0 HE22 GLN B 28 10.409 -3.427 -3.297 1.00 1.00 H new ATOM 1004 N ALA B 29 3.949 -5.986 -3.697 1.00 1.00 N ATOM 1005 CA ALA B 29 3.177 -7.158 -4.070 1.00 1.00 C ATOM 1006 C ALA B 29 2.294 -6.840 -5.264 1.00 1.00 C ATOM 1007 O ALA B 29 2.218 -7.611 -6.224 1.00 1.00 O ATOM 1008 CB ALA B 29 2.321 -7.627 -2.902 1.00 1.00 C ATOM 0 H ALA B 29 3.547 -5.106 -4.019 1.00 1.00 H new ATOM 0 HA ALA B 29 3.868 -7.957 -4.339 1.00 1.00 H new ATOM 0 HB1 ALA B 29 1.749 -8.506 -3.200 1.00 1.00 H new ATOM 0 HB2 ALA B 29 2.963 -7.880 -2.059 1.00 1.00 H new ATOM 0 HB3 ALA B 29 1.636 -6.831 -2.610 1.00 1.00 H new ATOM 1014 N TYR B 30 1.624 -5.696 -5.189 1.00 1.00 N ATOM 1015 CA TYR B 30 0.734 -5.257 -6.253 1.00 1.00 C ATOM 1016 C TYR B 30 1.426 -4.261 -7.178 1.00 1.00 C ATOM 1017 O TYR B 30 1.127 -4.203 -8.372 1.00 1.00 O ATOM 1018 CB TYR B 30 -0.529 -4.635 -5.661 1.00 1.00 C ATOM 1019 CG TYR B 30 -1.279 -5.556 -4.725 1.00 1.00 C ATOM 1020 CD1 TYR B 30 -1.988 -6.642 -5.210 1.00 1.00 C ATOM 1021 CD2 TYR B 30 -1.285 -5.328 -3.355 1.00 1.00 C ATOM 1022 CE1 TYR B 30 -2.683 -7.475 -4.356 1.00 1.00 C ATOM 1023 CE2 TYR B 30 -1.974 -6.156 -2.495 1.00 1.00 C ATOM 1024 CZ TYR B 30 -2.675 -7.228 -2.999 1.00 1.00 C ATOM 1025 OH TYR B 30 -3.373 -8.053 -2.145 1.00 1.00 O ATOM 0 H TYR B 30 1.682 -5.054 -4.398 1.00 1.00 H new ATOM 0 HA TYR B 30 0.459 -6.131 -6.844 1.00 1.00 H new ATOM 0 HB2 TYR B 30 -0.258 -3.727 -5.123 1.00 1.00 H new ATOM 0 HB3 TYR B 30 -1.192 -4.338 -6.473 1.00 1.00 H new ATOM 0 HD1 TYR B 30 -1.997 -6.840 -6.272 1.00 1.00 H new ATOM 0 HD2 TYR B 30 -0.739 -4.486 -2.956 1.00 1.00 H new ATOM 0 HE1 TYR B 30 -3.232 -8.318 -4.750 1.00 1.00 H new ATOM 0 HE2 TYR B 30 -1.964 -5.965 -1.432 1.00 1.00 H new ATOM 0 HH TYR B 30 -3.198 -7.788 -1.218 1.00 1.00 H new ATOM 1035 N TYR B 31 2.344 -3.474 -6.627 1.00 1.00 N ATOM 1036 CA TYR B 31 3.072 -2.493 -7.420 1.00 1.00 C ATOM 1037 C TYR B 31 4.461 -3.019 -7.754 1.00 1.00 C ATOM 1038 O TYR B 31 4.824 -3.113 -8.926 1.00 1.00 O ATOM 1039 CB TYR B 31 3.158 -1.149 -6.696 1.00 1.00 C ATOM 1040 CG TYR B 31 2.507 -0.025 -7.468 1.00 1.00 C ATOM 1041 CD1 TYR B 31 2.856 0.222 -8.789 1.00 1.00 C ATOM 1042 CD2 TYR B 31 1.536 0.777 -6.884 1.00 1.00 C ATOM 1043 CE1 TYR B 31 2.260 1.240 -9.505 1.00 1.00 C ATOM 1044 CE2 TYR B 31 0.934 1.795 -7.595 1.00 1.00 C ATOM 1045 CZ TYR B 31 1.300 2.022 -8.904 1.00 1.00 C ATOM 1046 OH TYR B 31 0.701 3.034 -9.615 1.00 1.00 O ATOM 0 H TYR B 31 2.600 -3.497 -5.640 1.00 1.00 H new ATOM 0 HA TYR B 31 2.526 -2.330 -8.349 1.00 1.00 H new ATOM 0 HB2 TYR B 31 2.682 -1.236 -5.720 1.00 1.00 H new ATOM 0 HB3 TYR B 31 4.205 -0.903 -6.519 1.00 1.00 H new ATOM 0 HD1 TYR B 31 3.606 -0.393 -9.264 1.00 1.00 H new ATOM 0 HD2 TYR B 31 1.247 0.602 -5.858 1.00 1.00 H new ATOM 0 HE1 TYR B 31 2.545 1.422 -10.531 1.00 1.00 H new ATOM 0 HE2 TYR B 31 0.180 2.411 -7.128 1.00 1.00 H new ATOM 0 HH TYR B 31 -0.083 3.359 -9.124 1.00 1.00 H new ATOM 1056 N CYS B 32 5.241 -3.343 -6.725 1.00 1.00 N ATOM 1057 CA CYS B 32 6.561 -3.906 -6.937 1.00 1.00 C ATOM 1058 C CYS B 32 6.386 -5.345 -7.408 1.00 1.00 C ATOM 1059 O CYS B 32 6.064 -6.230 -6.609 1.00 1.00 O ATOM 1060 CB CYS B 32 7.389 -3.865 -5.649 1.00 1.00 C ATOM 1061 SG CYS B 32 7.430 -2.241 -4.819 1.00 1.00 S ATOM 0 H CYS B 32 4.980 -3.225 -5.746 1.00 1.00 H new ATOM 0 HA CYS B 32 7.096 -3.322 -7.686 1.00 1.00 H new ATOM 0 HB2 CYS B 32 6.990 -4.603 -4.953 1.00 1.00 H new ATOM 0 HB3 CYS B 32 8.411 -4.165 -5.881 1.00 1.00 H new ATOM 1066 N SER B 33 6.568 -5.561 -8.708 1.00 1.00 N ATOM 1067 CA SER B 33 6.396 -6.877 -9.311 1.00 1.00 C ATOM 1068 C SER B 33 4.921 -7.282 -9.216 1.00 1.00 C ATOM 1069 O SER B 33 4.050 -6.422 -9.090 1.00 1.00 O ATOM 1070 CB SER B 33 7.305 -7.905 -8.629 1.00 1.00 C ATOM 1071 OG SER B 33 8.633 -7.417 -8.541 1.00 1.00 O ATOM 0 H SER B 33 6.837 -4.832 -9.369 1.00 1.00 H new ATOM 0 HA SER B 33 6.683 -6.840 -10.362 1.00 1.00 H new ATOM 0 HB2 SER B 33 6.927 -8.127 -7.631 1.00 1.00 H new ATOM 0 HB3 SER B 33 7.292 -8.839 -9.190 1.00 1.00 H new ATOM 0 HG SER B 33 9.199 -8.086 -8.101 1.00 1.00 H new ATOM 1077 N HIS B 34 4.624 -8.570 -9.299 1.00 1.00 N ATOM 1078 CA HIS B 34 3.241 -9.017 -9.199 1.00 1.00 C ATOM 1079 C HIS B 34 3.148 -10.352 -8.484 1.00 1.00 C ATOM 1080 O HIS B 34 3.357 -11.413 -9.078 1.00 1.00 O ATOM 1081 CB HIS B 34 2.582 -9.093 -10.574 1.00 1.00 C ATOM 1082 CG HIS B 34 1.630 -7.966 -10.818 1.00 1.00 C ATOM 1083 ND1 HIS B 34 1.956 -6.859 -11.566 1.00 1.00 N ATOM 1084 CD2 HIS B 34 0.361 -7.769 -10.390 1.00 1.00 C ATOM 1085 CE1 HIS B 34 0.933 -6.028 -11.590 1.00 1.00 C ATOM 1086 NE2 HIS B 34 -0.047 -6.557 -10.883 1.00 1.00 N ATOM 0 H HIS B 34 5.309 -9.314 -9.433 1.00 1.00 H new ATOM 0 HA HIS B 34 2.700 -8.278 -8.608 1.00 1.00 H new ATOM 0 HB2 HIS B 34 3.354 -9.085 -11.344 1.00 1.00 H new ATOM 0 HB3 HIS B 34 2.050 -10.040 -10.666 1.00 1.00 H new ATOM 0 HD2 HIS B 34 -0.220 -8.440 -9.776 1.00 1.00 H new ATOM 0 HE1 HIS B 34 0.902 -5.077 -12.101 1.00 1.00 H new ATOM 0 HE2 HIS B 34 -0.961 -6.132 -10.728 1.00 1.00 H new ATOM 1095 N ARG B 35 2.835 -10.283 -7.201 1.00 1.00 N ATOM 1096 CA ARG B 35 2.709 -11.468 -6.370 1.00 1.00 C ATOM 1097 C ARG B 35 1.494 -11.344 -5.461 1.00 1.00 C ATOM 1098 O ARG B 35 0.691 -10.421 -5.608 1.00 1.00 O ATOM 1099 CB ARG B 35 3.974 -11.674 -5.528 1.00 1.00 C ATOM 1100 CG ARG B 35 4.502 -10.398 -4.891 1.00 1.00 C ATOM 1101 CD ARG B 35 5.146 -10.669 -3.542 1.00 1.00 C ATOM 1102 NE ARG B 35 4.159 -11.054 -2.533 1.00 1.00 N ATOM 1103 CZ ARG B 35 3.994 -10.428 -1.367 1.00 1.00 C ATOM 1104 NH1 ARG B 35 4.720 -9.357 -1.061 1.00 1.00 N ATOM 1105 NH2 ARG B 35 3.079 -10.862 -0.512 1.00 1.00 N ATOM 0 H ARG B 35 2.662 -9.407 -6.708 1.00 1.00 H new ATOM 0 HA ARG B 35 2.580 -12.333 -7.021 1.00 1.00 H new ATOM 0 HB2 ARG B 35 3.762 -12.400 -4.743 1.00 1.00 H new ATOM 0 HB3 ARG B 35 4.753 -12.104 -6.158 1.00 1.00 H new ATOM 0 HG2 ARG B 35 5.231 -9.934 -5.556 1.00 1.00 H new ATOM 0 HG3 ARG B 35 3.685 -9.687 -4.768 1.00 1.00 H new ATOM 0 HD2 ARG B 35 5.887 -11.462 -3.646 1.00 1.00 H new ATOM 0 HD3 ARG B 35 5.678 -9.778 -3.208 1.00 1.00 H new ATOM 0 HE ARG B 35 3.558 -11.853 -2.734 1.00 1.00 H new ATOM 0 HH11 ARG B 35 5.413 -9.005 -1.721 1.00 1.00 H new ATOM 0 HH12 ARG B 35 4.584 -8.887 -0.166 1.00 1.00 H new ATOM 0 HH21 ARG B 35 2.505 -11.672 -0.747 1.00 1.00 H new ATOM 0 HH22 ARG B 35 2.949 -10.386 0.381 1.00 1.00 H new ATOM 1119 N ILE B 36 1.361 -12.277 -4.536 1.00 1.00 N ATOM 1120 CA ILE B 36 0.259 -12.269 -3.593 1.00 1.00 C ATOM 1121 C ILE B 36 0.799 -12.476 -2.189 1.00 1.00 C ATOM 1122 O ILE B 36 2.004 -12.793 -2.068 1.00 1.00 O ATOM 1123 CB ILE B 36 -0.797 -13.357 -3.911 1.00 1.00 C ATOM 1124 CG1 ILE B 36 -0.139 -14.726 -4.109 1.00 1.00 C ATOM 1125 CG2 ILE B 36 -1.603 -12.973 -5.142 1.00 1.00 C ATOM 1126 CD1 ILE B 36 -0.264 -15.646 -2.914 1.00 1.00 C ATOM 1127 OXT ILE B 36 0.034 -12.317 -1.221 1.00 1.00 O ATOM 0 H ILE B 36 2.009 -13.056 -4.418 1.00 1.00 H new ATOM 0 HA ILE B 36 -0.238 -11.302 -3.672 1.00 1.00 H new ATOM 0 HB ILE B 36 -1.472 -13.428 -3.058 1.00 1.00 H new ATOM 0 HG12 ILE B 36 -0.586 -15.211 -4.977 1.00 1.00 H new ATOM 0 HG13 ILE B 36 0.918 -14.581 -4.334 1.00 1.00 H new ATOM 0 HG21 ILE B 36 -2.340 -13.748 -5.351 1.00 1.00 H new ATOM 0 HG22 ILE B 36 -2.113 -12.027 -4.962 1.00 1.00 H new ATOM 0 HG23 ILE B 36 -0.934 -12.868 -5.997 1.00 1.00 H new ATOM 0 HD11 ILE B 36 0.227 -16.595 -3.132 1.00 1.00 H new ATOM 0 HD12 ILE B 36 0.209 -15.184 -2.048 1.00 1.00 H new ATOM 0 HD13 ILE B 36 -1.318 -15.823 -2.700 1.00 1.00 H new TER 1139 ILE B 36 HETATM 1140 ZN ZN A 244 -5.578 2.493 -4.492 1.00 1.00 ZN HETATM 1141 ZN ZN B 37 7.379 0.040 -5.161 1.00 1.00 ZN