USER MOD reduce.3.24.130724 H: found=0, std=0, add=539, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 532 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: B 11 CYS SG : rot 119:sc= -0.107 USER MOD Set 1.2: B 14 CYS SG : rot -50:sc= -5.26! USER MOD Set 1.3: B 27 HIS : no HE2:sc= -1.44 K(o=-9.4,f=-11!) USER MOD Set 1.4: B 32 CYS SG : rot -51:sc= -2.6 USER MOD Set 2.1: A 231 TYR OH : rot -118:sc= 0.967 USER MOD Set 2.2: A 235 ASN : amide:sc= 1.24 K(o=4.1,f=1.8) USER MOD Set 2.3: A 237 GLN : amide:sc= 1.86 K(o=4.1,f=-1.4) USER MOD Set 3.1: A 204 CYS SG : rot 161:sc= 3.1 USER MOD Set 3.2: A 207 CYS SG : rot -41:sc= 1.11! USER MOD Set 3.3: A 225 CYS SG : rot -131:sc= 2.72! USER MOD Set 3.4: A 228 CYS SG : rot 64:sc= -0.348 USER MOD Single : A 206 ASN :FLIP amide:sc= -0.603 F(o=-1.3!,f=-0.6) USER MOD Single : A 210 THR OG1 : rot -35:sc= 0.445 USER MOD Single : A 212 THR OG1 : rot 180:sc= 0.0778 USER MOD Single : A 220 THR OG1 : rot -72:sc= 0.461 USER MOD Single : A 222 HIS : no HD1:sc= 0.282 K(o=0.28,f=-7.6!) USER MOD Single : A 223 TYR OH : rot 0:sc= 0.998 USER MOD Single : A 226 ASN : amide:sc= 0.974 K(o=0.97,f=-4.3!) USER MOD Single : A 232 HIS :FLIP no HD1:sc= -0.662 F(o=-3.3!,f=-0.66) USER MOD Single : A 233 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 234 MET CE :methyl 160:sc= -0.106 (180deg=-0.545) USER MOD Single : A 238 ASN : amide:sc= 1.15 K(o=1.2,f=-0.062) USER MOD Single : B 1 GLY N :NH3+ -128:sc= 0.0696 (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 180:sc= 0 USER MOD Single : B 20 SER OG : rot 89:sc= 1.88 USER MOD Single : B 22 SER OG : rot 180:sc= 0 USER MOD Single : B 23 THR OG1 : rot 155:sc= -2.44! USER MOD Single : B 28 GLN : amide:sc= 0.214 K(o=0.21,f=-0.3) USER MOD Single : B 30 TYR OH : rot -149:sc= 1.22 USER MOD Single : B 31 TYR OH : rot 173:sc= 1.29 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 0.660 -14.304 2.761 1.00 1.00 N ATOM 2 CA GLU A 200 -0.786 -13.994 2.769 1.00 1.00 C ATOM 3 C GLU A 200 -1.263 -13.698 1.355 1.00 1.00 C ATOM 4 O GLU A 200 -0.449 -13.630 0.432 1.00 1.00 O ATOM 5 CB GLU A 200 -1.074 -12.804 3.689 1.00 1.00 C ATOM 6 CG GLU A 200 -0.633 -13.018 5.133 1.00 1.00 C ATOM 7 CD GLU A 200 -0.587 -14.480 5.526 1.00 1.00 C ATOM 8 OE1 GLU A 200 -1.630 -15.026 5.943 1.00 1.00 O ATOM 9 OE2 GLU A 200 0.494 -15.095 5.394 1.00 1.00 O ATOM 0 HA GLU A 200 -1.327 -14.860 3.149 1.00 1.00 H new ATOM 0 HB2 GLU A 200 -0.572 -11.921 3.293 1.00 1.00 H new ATOM 0 HB3 GLU A 200 -2.144 -12.596 3.673 1.00 1.00 H new ATOM 0 HG2 GLU A 200 0.354 -12.578 5.275 1.00 1.00 H new ATOM 0 HG3 GLU A 200 -1.316 -12.490 5.798 1.00 1.00 H new ATOM 16 N ALA A 201 -2.575 -13.532 1.186 1.00 1.00 N ATOM 17 CA ALA A 201 -3.155 -13.248 -0.126 1.00 1.00 C ATOM 18 C ALA A 201 -2.518 -12.010 -0.743 1.00 1.00 C ATOM 19 O ALA A 201 -2.113 -12.018 -1.906 1.00 1.00 O ATOM 20 CB ALA A 201 -4.662 -13.067 -0.016 1.00 1.00 C ATOM 0 H ALA A 201 -3.257 -13.589 1.943 1.00 1.00 H new ATOM 0 HA ALA A 201 -2.953 -14.099 -0.777 1.00 1.00 H new ATOM 0 HB1 ALA A 201 -5.076 -12.856 -1.002 1.00 1.00 H new ATOM 0 HB2 ALA A 201 -5.110 -13.979 0.379 1.00 1.00 H new ATOM 0 HB3 ALA A 201 -4.881 -12.236 0.654 1.00 1.00 H new ATOM 26 N ARG A 202 -2.426 -10.953 0.049 1.00 1.00 N ATOM 27 CA ARG A 202 -1.828 -9.704 -0.393 1.00 1.00 C ATOM 28 C ARG A 202 -1.688 -8.763 0.796 1.00 1.00 C ATOM 29 O ARG A 202 -2.060 -9.120 1.915 1.00 1.00 O ATOM 30 CB ARG A 202 -2.674 -9.050 -1.493 1.00 1.00 C ATOM 31 CG ARG A 202 -1.875 -8.148 -2.420 1.00 1.00 C ATOM 32 CD ARG A 202 -1.349 -8.894 -3.640 1.00 1.00 C ATOM 33 NE ARG A 202 -0.619 -10.119 -3.296 1.00 1.00 N ATOM 34 CZ ARG A 202 0.653 -10.353 -3.629 1.00 1.00 C ATOM 35 NH1 ARG A 202 1.389 -9.402 -4.192 1.00 1.00 N ATOM 36 NH2 ARG A 202 1.206 -11.530 -3.358 1.00 1.00 N ATOM 0 H ARG A 202 -2.762 -10.937 1.012 1.00 1.00 H new ATOM 0 HA ARG A 202 -0.843 -9.913 -0.809 1.00 1.00 H new ATOM 0 HB2 ARG A 202 -3.153 -9.831 -2.084 1.00 1.00 H new ATOM 0 HB3 ARG A 202 -3.470 -8.467 -1.029 1.00 1.00 H new ATOM 0 HG2 ARG A 202 -2.503 -7.319 -2.747 1.00 1.00 H new ATOM 0 HG3 ARG A 202 -1.038 -7.717 -1.871 1.00 1.00 H new ATOM 0 HD2 ARG A 202 -2.185 -9.148 -4.292 1.00 1.00 H new ATOM 0 HD3 ARG A 202 -0.692 -8.234 -4.207 1.00 1.00 H new ATOM 0 HE ARG A 202 -1.115 -10.838 -2.769 1.00 1.00 H new ATOM 0 HH11 ARG A 202 0.984 -8.484 -4.373 1.00 1.00 H new ATOM 0 HH12 ARG A 202 2.360 -9.590 -4.443 1.00 1.00 H new ATOM 0 HH21 ARG A 202 0.659 -12.256 -2.895 1.00 1.00 H new ATOM 0 HH22 ARG A 202 2.178 -11.708 -3.613 1.00 1.00 H new ATOM 50 N GLU A 203 -1.141 -7.583 0.555 1.00 1.00 N ATOM 51 CA GLU A 203 -0.956 -6.593 1.599 1.00 1.00 C ATOM 52 C GLU A 203 -1.718 -5.316 1.261 1.00 1.00 C ATOM 53 O GLU A 203 -2.057 -5.077 0.101 1.00 1.00 O ATOM 54 CB GLU A 203 0.533 -6.271 1.780 1.00 1.00 C ATOM 55 CG GLU A 203 1.472 -7.122 0.929 1.00 1.00 C ATOM 56 CD GLU A 203 1.621 -6.607 -0.492 1.00 1.00 C ATOM 57 OE1 GLU A 203 0.769 -6.934 -1.340 1.00 1.00 O ATOM 58 OE2 GLU A 203 2.604 -5.890 -0.772 1.00 1.00 O ATOM 0 H GLU A 203 -0.815 -7.287 -0.365 1.00 1.00 H new ATOM 0 HA GLU A 203 -1.344 -7.006 2.530 1.00 1.00 H new ATOM 0 HB2 GLU A 203 0.697 -5.221 1.539 1.00 1.00 H new ATOM 0 HB3 GLU A 203 0.795 -6.402 2.830 1.00 1.00 H new ATOM 0 HG2 GLU A 203 2.453 -7.153 1.402 1.00 1.00 H new ATOM 0 HG3 GLU A 203 1.099 -8.146 0.901 1.00 1.00 H new ATOM 65 N CYS A 204 -1.996 -4.516 2.280 1.00 1.00 N ATOM 66 CA CYS A 204 -2.687 -3.250 2.105 1.00 1.00 C ATOM 67 C CYS A 204 -1.686 -2.124 2.283 1.00 1.00 C ATOM 68 O CYS A 204 -0.718 -2.259 3.030 1.00 1.00 O ATOM 69 CB CYS A 204 -3.839 -3.110 3.115 1.00 1.00 C ATOM 70 SG CYS A 204 -4.622 -1.459 3.162 1.00 1.00 S ATOM 0 H CYS A 204 -1.749 -4.726 3.247 1.00 1.00 H new ATOM 0 HA CYS A 204 -3.119 -3.207 1.105 1.00 1.00 H new ATOM 0 HB2 CYS A 204 -4.602 -3.852 2.879 1.00 1.00 H new ATOM 0 HB3 CYS A 204 -3.462 -3.346 4.110 1.00 1.00 H new ATOM 0 HG CYS A 204 -5.799 -1.552 3.706 1.00 1.00 H new ATOM 75 N VAL A 205 -1.932 -1.011 1.616 1.00 1.00 N ATOM 76 CA VAL A 205 -1.040 0.136 1.688 1.00 1.00 C ATOM 77 C VAL A 205 -1.015 0.746 3.088 1.00 1.00 C ATOM 78 O VAL A 205 -0.129 1.541 3.411 1.00 1.00 O ATOM 79 CB VAL A 205 -1.451 1.237 0.686 1.00 1.00 C ATOM 80 CG1 VAL A 205 -1.686 0.655 -0.699 1.00 1.00 C ATOM 81 CG2 VAL A 205 -2.684 1.984 1.177 1.00 1.00 C ATOM 0 H VAL A 205 -2.745 -0.875 1.015 1.00 1.00 H new ATOM 0 HA VAL A 205 -0.047 -0.237 1.437 1.00 1.00 H new ATOM 0 HB VAL A 205 -0.629 1.949 0.615 1.00 1.00 H new ATOM 0 HG11 VAL A 205 -1.974 1.452 -1.384 1.00 1.00 H new ATOM 0 HG12 VAL A 205 -0.770 0.183 -1.056 1.00 1.00 H new ATOM 0 HG13 VAL A 205 -2.482 -0.088 -0.651 1.00 1.00 H new ATOM 0 HG21 VAL A 205 -2.954 2.754 0.455 1.00 1.00 H new ATOM 0 HG22 VAL A 205 -3.513 1.285 1.289 1.00 1.00 H new ATOM 0 HG23 VAL A 205 -2.469 2.448 2.139 1.00 1.00 H new ATOM 91 N ASN A 206 -1.985 0.379 3.916 1.00 1.00 N ATOM 92 CA ASN A 206 -2.064 0.936 5.259 1.00 1.00 C ATOM 93 C ASN A 206 -2.077 -0.131 6.355 1.00 1.00 C ATOM 94 O ASN A 206 -1.859 0.190 7.523 1.00 1.00 O ATOM 95 CB ASN A 206 -3.304 1.823 5.376 1.00 1.00 C ATOM 96 CG ASN A 206 -2.967 3.302 5.461 1.00 1.00 C ATOM 97 OD1 ASN A 206 -2.863 3.959 4.313 1.00 1.00 O flip ATOM 98 ND2 ASN A 206 -2.812 3.852 6.551 1.00 1.00 N flip ATOM 0 H ASN A 206 -2.718 -0.292 3.686 1.00 1.00 H new ATOM 0 HA ASN A 206 -1.161 1.526 5.412 1.00 1.00 H new ATOM 0 HB2 ASN A 206 -3.950 1.652 4.515 1.00 1.00 H new ATOM 0 HB3 ASN A 206 -3.870 1.533 6.261 1.00 1.00 H new ATOM 0 HD21 ASN A 206 -2.900 3.312 7.412 1.00 1.00 H new ATOM 0 HD22 ASN A 206 -2.595 4.848 6.594 1.00 1.00 H new ATOM 105 N CYS A 207 -2.332 -1.391 6.007 1.00 1.00 N ATOM 106 CA CYS A 207 -2.353 -2.444 7.020 1.00 1.00 C ATOM 107 C CYS A 207 -1.819 -3.768 6.478 1.00 1.00 C ATOM 108 O CYS A 207 -0.686 -4.161 6.752 1.00 1.00 O ATOM 109 CB CYS A 207 -3.775 -2.633 7.572 1.00 1.00 C ATOM 110 SG CYS A 207 -5.042 -2.997 6.311 1.00 1.00 S ATOM 0 H CYS A 207 -2.523 -1.703 5.055 1.00 1.00 H new ATOM 0 HA CYS A 207 -1.694 -2.128 7.829 1.00 1.00 H new ATOM 0 HB2 CYS A 207 -3.763 -3.445 8.299 1.00 1.00 H new ATOM 0 HB3 CYS A 207 -4.065 -1.729 8.108 1.00 1.00 H new ATOM 0 HG CYS A 207 -4.840 -2.251 5.265 1.00 1.00 H new ATOM 115 N GLY A 208 -2.644 -4.445 5.712 1.00 1.00 N ATOM 116 CA GLY A 208 -2.270 -5.721 5.157 1.00 1.00 C ATOM 117 C GLY A 208 -3.180 -6.809 5.663 1.00 1.00 C ATOM 118 O GLY A 208 -2.776 -7.968 5.783 1.00 1.00 O ATOM 0 H GLY A 208 -3.581 -4.130 5.460 1.00 1.00 H new ATOM 0 HA2 GLY A 208 -2.317 -5.678 4.069 1.00 1.00 H new ATOM 0 HA3 GLY A 208 -1.238 -5.950 5.423 1.00 1.00 H new ATOM 122 N ALA A 209 -4.415 -6.420 5.973 1.00 1.00 N ATOM 123 CA ALA A 209 -5.419 -7.344 6.479 1.00 1.00 C ATOM 124 C ALA A 209 -5.849 -8.325 5.397 1.00 1.00 C ATOM 125 O ALA A 209 -6.803 -8.082 4.657 1.00 1.00 O ATOM 126 CB ALA A 209 -6.623 -6.579 7.012 1.00 1.00 C ATOM 0 H ALA A 209 -4.744 -5.459 5.880 1.00 1.00 H new ATOM 0 HA ALA A 209 -4.977 -7.913 7.297 1.00 1.00 H new ATOM 0 HB1 ALA A 209 -7.365 -7.284 7.387 1.00 1.00 H new ATOM 0 HB2 ALA A 209 -6.307 -5.921 7.821 1.00 1.00 H new ATOM 0 HB3 ALA A 209 -7.060 -5.984 6.210 1.00 1.00 H new ATOM 132 N THR A 210 -5.140 -9.442 5.316 1.00 1.00 N ATOM 133 CA THR A 210 -5.427 -10.472 4.328 1.00 1.00 C ATOM 134 C THR A 210 -6.757 -11.167 4.620 1.00 1.00 C ATOM 135 O THR A 210 -7.245 -11.954 3.811 1.00 1.00 O ATOM 136 CB THR A 210 -4.294 -11.522 4.272 1.00 1.00 C ATOM 137 OG1 THR A 210 -4.462 -12.384 3.139 1.00 1.00 O ATOM 138 CG2 THR A 210 -4.262 -12.353 5.543 1.00 1.00 C ATOM 0 H THR A 210 -4.354 -9.659 5.929 1.00 1.00 H new ATOM 0 HA THR A 210 -5.497 -9.977 3.360 1.00 1.00 H new ATOM 0 HB THR A 210 -3.349 -10.987 4.178 1.00 1.00 H new ATOM 0 HG1 THR A 210 -5.417 -12.533 2.980 1.00 1.00 H new ATOM 0 HG21 THR A 210 -3.456 -13.085 5.479 1.00 1.00 H new ATOM 0 HG22 THR A 210 -4.093 -11.701 6.400 1.00 1.00 H new ATOM 0 HG23 THR A 210 -5.214 -12.871 5.663 1.00 1.00 H new ATOM 146 N ALA A 211 -7.340 -10.860 5.774 1.00 1.00 N ATOM 147 CA ALA A 211 -8.608 -11.449 6.181 1.00 1.00 C ATOM 148 C ALA A 211 -9.788 -10.706 5.560 1.00 1.00 C ATOM 149 O ALA A 211 -10.946 -11.025 5.830 1.00 1.00 O ATOM 150 CB ALA A 211 -8.713 -11.454 7.698 1.00 1.00 C ATOM 0 H ALA A 211 -6.950 -10.201 6.448 1.00 1.00 H new ATOM 0 HA ALA A 211 -8.641 -12.477 5.821 1.00 1.00 H new ATOM 0 HB1 ALA A 211 -9.664 -11.896 7.995 1.00 1.00 H new ATOM 0 HB2 ALA A 211 -7.894 -12.039 8.117 1.00 1.00 H new ATOM 0 HB3 ALA A 211 -8.656 -10.431 8.070 1.00 1.00 H new ATOM 156 N THR A 212 -9.485 -9.709 4.737 1.00 1.00 N ATOM 157 CA THR A 212 -10.512 -8.929 4.065 1.00 1.00 C ATOM 158 C THR A 212 -11.285 -9.809 3.075 1.00 1.00 C ATOM 159 O THR A 212 -10.710 -10.708 2.456 1.00 1.00 O ATOM 160 CB THR A 212 -9.895 -7.709 3.332 1.00 1.00 C ATOM 161 OG1 THR A 212 -10.926 -6.797 2.929 1.00 1.00 O ATOM 162 CG2 THR A 212 -9.094 -8.142 2.113 1.00 1.00 C ATOM 0 H THR A 212 -8.531 -9.422 4.520 1.00 1.00 H new ATOM 0 HA THR A 212 -11.203 -8.556 4.821 1.00 1.00 H new ATOM 0 HB THR A 212 -9.220 -7.212 4.029 1.00 1.00 H new ATOM 0 HG1 THR A 212 -10.523 -6.030 2.470 1.00 1.00 H new ATOM 0 HG21 THR A 212 -8.675 -7.264 1.622 1.00 1.00 H new ATOM 0 HG22 THR A 212 -8.286 -8.803 2.425 1.00 1.00 H new ATOM 0 HG23 THR A 212 -9.747 -8.670 1.417 1.00 1.00 H new ATOM 170 N PRO A 213 -12.610 -9.598 2.949 1.00 1.00 N ATOM 171 CA PRO A 213 -13.450 -10.370 2.029 1.00 1.00 C ATOM 172 C PRO A 213 -12.953 -10.279 0.588 1.00 1.00 C ATOM 173 O PRO A 213 -12.869 -11.286 -0.115 1.00 1.00 O ATOM 174 CB PRO A 213 -14.841 -9.734 2.164 1.00 1.00 C ATOM 175 CG PRO A 213 -14.619 -8.431 2.853 1.00 1.00 C ATOM 176 CD PRO A 213 -13.396 -8.612 3.706 1.00 1.00 C ATOM 0 HA PRO A 213 -13.442 -11.433 2.271 1.00 1.00 H new ATOM 0 HB2 PRO A 213 -15.302 -9.588 1.187 1.00 1.00 H new ATOM 0 HB3 PRO A 213 -15.510 -10.373 2.740 1.00 1.00 H new ATOM 0 HG2 PRO A 213 -14.474 -7.628 2.130 1.00 1.00 H new ATOM 0 HG3 PRO A 213 -15.482 -8.160 3.462 1.00 1.00 H new ATOM 0 HD2 PRO A 213 -12.852 -7.676 3.836 1.00 1.00 H new ATOM 0 HD3 PRO A 213 -13.648 -8.975 4.702 1.00 1.00 H new ATOM 184 N LEU A 214 -12.618 -9.068 0.162 1.00 1.00 N ATOM 185 CA LEU A 214 -12.120 -8.835 -1.184 1.00 1.00 C ATOM 186 C LEU A 214 -11.281 -7.567 -1.216 1.00 1.00 C ATOM 187 O LEU A 214 -11.687 -6.535 -0.684 1.00 1.00 O ATOM 188 CB LEU A 214 -13.280 -8.730 -2.179 1.00 1.00 C ATOM 189 CG LEU A 214 -12.873 -8.776 -3.656 1.00 1.00 C ATOM 190 CD1 LEU A 214 -12.193 -10.098 -3.984 1.00 1.00 C ATOM 191 CD2 LEU A 214 -14.083 -8.563 -4.554 1.00 1.00 C ATOM 0 H LEU A 214 -12.684 -8.227 0.736 1.00 1.00 H new ATOM 0 HA LEU A 214 -11.496 -9.680 -1.475 1.00 1.00 H new ATOM 0 HB2 LEU A 214 -13.980 -9.543 -1.985 1.00 1.00 H new ATOM 0 HB3 LEU A 214 -13.814 -7.798 -1.994 1.00 1.00 H new ATOM 0 HG LEU A 214 -12.163 -7.969 -3.839 1.00 1.00 H new ATOM 0 HD11 LEU A 214 -11.912 -10.111 -5.037 1.00 1.00 H new ATOM 0 HD12 LEU A 214 -11.300 -10.211 -3.369 1.00 1.00 H new ATOM 0 HD13 LEU A 214 -12.879 -10.920 -3.782 1.00 1.00 H new ATOM 0 HD21 LEU A 214 -13.772 -8.599 -5.598 1.00 1.00 H new ATOM 0 HD22 LEU A 214 -14.818 -9.346 -4.367 1.00 1.00 H new ATOM 0 HD23 LEU A 214 -14.527 -7.591 -4.341 1.00 1.00 H new ATOM 203 N TRP A 215 -10.112 -7.655 -1.832 1.00 1.00 N ATOM 204 CA TRP A 215 -9.203 -6.522 -1.928 1.00 1.00 C ATOM 205 C TRP A 215 -9.746 -5.468 -2.884 1.00 1.00 C ATOM 206 O TRP A 215 -10.180 -5.781 -3.996 1.00 1.00 O ATOM 207 CB TRP A 215 -7.822 -6.986 -2.394 1.00 1.00 C ATOM 208 CG TRP A 215 -7.115 -7.834 -1.386 1.00 1.00 C ATOM 209 CD1 TRP A 215 -7.054 -9.196 -1.360 1.00 1.00 C ATOM 210 CD2 TRP A 215 -6.375 -7.374 -0.250 1.00 1.00 C ATOM 211 NE1 TRP A 215 -6.317 -9.614 -0.281 1.00 1.00 N ATOM 212 CE2 TRP A 215 -5.892 -8.513 0.418 1.00 1.00 C ATOM 213 CE3 TRP A 215 -6.073 -6.112 0.266 1.00 1.00 C ATOM 214 CZ2 TRP A 215 -5.126 -8.426 1.575 1.00 1.00 C ATOM 215 CZ3 TRP A 215 -5.314 -6.027 1.416 1.00 1.00 C ATOM 216 CH2 TRP A 215 -4.845 -7.178 2.059 1.00 1.00 C ATOM 0 H TRP A 215 -9.768 -8.506 -2.276 1.00 1.00 H new ATOM 0 HA TRP A 215 -9.114 -6.076 -0.937 1.00 1.00 H new ATOM 0 HB2 TRP A 215 -7.929 -7.548 -3.322 1.00 1.00 H new ATOM 0 HB3 TRP A 215 -7.209 -6.113 -2.619 1.00 1.00 H new ATOM 0 HD1 TRP A 215 -7.518 -9.850 -2.083 1.00 1.00 H new ATOM 0 HE1 TRP A 215 -6.118 -10.584 -0.038 1.00 1.00 H new ATOM 0 HE3 TRP A 215 -6.427 -5.218 -0.226 1.00 1.00 H new ATOM 0 HZ2 TRP A 215 -4.765 -9.313 2.074 1.00 1.00 H new ATOM 0 HZ3 TRP A 215 -5.078 -5.056 1.826 1.00 1.00 H new ATOM 0 HH2 TRP A 215 -4.250 -7.079 2.955 1.00 1.00 H new ATOM 227 N ARG A 216 -9.724 -4.221 -2.444 1.00 1.00 N ATOM 228 CA ARG A 216 -10.208 -3.115 -3.255 1.00 1.00 C ATOM 229 C ARG A 216 -9.070 -2.555 -4.097 1.00 1.00 C ATOM 230 O ARG A 216 -8.281 -1.742 -3.624 1.00 1.00 O ATOM 231 CB ARG A 216 -10.799 -2.006 -2.372 1.00 1.00 C ATOM 232 CG ARG A 216 -12.240 -2.246 -1.945 1.00 1.00 C ATOM 233 CD ARG A 216 -12.336 -3.296 -0.850 1.00 1.00 C ATOM 234 NE ARG A 216 -13.700 -3.432 -0.337 1.00 1.00 N ATOM 235 CZ ARG A 216 -14.568 -4.349 -0.759 1.00 1.00 C ATOM 236 NH1 ARG A 216 -14.217 -5.218 -1.697 1.00 1.00 N ATOM 237 NH2 ARG A 216 -15.783 -4.401 -0.232 1.00 1.00 N ATOM 0 H ARG A 216 -9.375 -3.948 -1.525 1.00 1.00 H new ATOM 0 HA ARG A 216 -10.995 -3.488 -3.911 1.00 1.00 H new ATOM 0 HB2 ARG A 216 -10.181 -1.900 -1.480 1.00 1.00 H new ATOM 0 HB3 ARG A 216 -10.745 -1.061 -2.912 1.00 1.00 H new ATOM 0 HG2 ARG A 216 -12.675 -1.311 -1.592 1.00 1.00 H new ATOM 0 HG3 ARG A 216 -12.826 -2.565 -2.807 1.00 1.00 H new ATOM 0 HD2 ARG A 216 -11.998 -4.257 -1.239 1.00 1.00 H new ATOM 0 HD3 ARG A 216 -11.666 -3.029 -0.032 1.00 1.00 H new ATOM 0 HE ARG A 216 -14.005 -2.784 0.389 1.00 1.00 H new ATOM 0 HH11 ARG A 216 -13.279 -5.185 -2.097 1.00 1.00 H new ATOM 0 HH12 ARG A 216 -14.884 -5.919 -2.018 1.00 1.00 H new ATOM 0 HH21 ARG A 216 -16.052 -3.739 0.496 1.00 1.00 H new ATOM 0 HH22 ARG A 216 -16.449 -5.103 -0.554 1.00 1.00 H new ATOM 251 N ARG A 217 -8.980 -3.012 -5.338 1.00 1.00 N ATOM 252 CA ARG A 217 -7.929 -2.561 -6.240 1.00 1.00 C ATOM 253 C ARG A 217 -8.492 -1.636 -7.313 1.00 1.00 C ATOM 254 O ARG A 217 -9.574 -1.877 -7.851 1.00 1.00 O ATOM 255 CB ARG A 217 -7.233 -3.757 -6.897 1.00 1.00 C ATOM 256 CG ARG A 217 -6.070 -3.361 -7.791 1.00 1.00 C ATOM 257 CD ARG A 217 -6.073 -4.145 -9.091 1.00 1.00 C ATOM 258 NE ARG A 217 -5.418 -5.444 -8.954 1.00 1.00 N ATOM 259 CZ ARG A 217 -4.891 -6.125 -9.974 1.00 1.00 C ATOM 260 NH1 ARG A 217 -4.945 -5.642 -11.211 1.00 1.00 N ATOM 261 NH2 ARG A 217 -4.308 -7.292 -9.755 1.00 1.00 N ATOM 0 H ARG A 217 -9.621 -3.694 -5.743 1.00 1.00 H new ATOM 0 HA ARG A 217 -7.199 -2.006 -5.651 1.00 1.00 H new ATOM 0 HB2 ARG A 217 -6.871 -4.430 -6.119 1.00 1.00 H new ATOM 0 HB3 ARG A 217 -7.962 -4.313 -7.486 1.00 1.00 H new ATOM 0 HG2 ARG A 217 -6.124 -2.294 -8.009 1.00 1.00 H new ATOM 0 HG3 ARG A 217 -5.131 -3.532 -7.265 1.00 1.00 H new ATOM 0 HD2 ARG A 217 -7.101 -4.292 -9.422 1.00 1.00 H new ATOM 0 HD3 ARG A 217 -5.568 -3.565 -9.864 1.00 1.00 H new ATOM 0 HE ARG A 217 -5.360 -5.855 -8.022 1.00 1.00 H new ATOM 0 HH11 ARG A 217 -5.392 -4.743 -11.388 1.00 1.00 H new ATOM 0 HH12 ARG A 217 -4.539 -6.171 -11.983 1.00 1.00 H new ATOM 0 HH21 ARG A 217 -4.262 -7.669 -8.809 1.00 1.00 H new ATOM 0 HH22 ARG A 217 -3.905 -7.814 -10.533 1.00 1.00 H new ATOM 275 N ASP A 218 -7.746 -0.584 -7.618 1.00 1.00 N ATOM 276 CA ASP A 218 -8.144 0.387 -8.632 1.00 1.00 C ATOM 277 C ASP A 218 -7.541 0.010 -9.989 1.00 1.00 C ATOM 278 O ASP A 218 -7.231 -1.158 -10.234 1.00 1.00 O ATOM 279 CB ASP A 218 -7.679 1.792 -8.223 1.00 1.00 C ATOM 280 CG ASP A 218 -6.203 2.011 -8.496 1.00 1.00 C ATOM 281 OD1 ASP A 218 -5.386 1.184 -8.055 1.00 1.00 O ATOM 282 OD2 ASP A 218 -5.858 2.993 -9.187 1.00 1.00 O ATOM 0 H ASP A 218 -6.852 -0.378 -7.173 1.00 1.00 H new ATOM 0 HA ASP A 218 -9.231 0.383 -8.717 1.00 1.00 H new ATOM 0 HB2 ASP A 218 -8.261 2.537 -8.765 1.00 1.00 H new ATOM 0 HB3 ASP A 218 -7.877 1.943 -7.162 1.00 1.00 H new ATOM 287 N ARG A 219 -7.384 0.997 -10.867 1.00 1.00 N ATOM 288 CA ARG A 219 -6.804 0.771 -12.184 1.00 1.00 C ATOM 289 C ARG A 219 -5.287 0.576 -12.091 1.00 1.00 C ATOM 290 O ARG A 219 -4.730 -0.325 -12.726 1.00 1.00 O ATOM 291 CB ARG A 219 -7.117 1.950 -13.114 1.00 1.00 C ATOM 292 CG ARG A 219 -6.337 1.920 -14.421 1.00 1.00 C ATOM 293 CD ARG A 219 -6.373 3.266 -15.127 1.00 1.00 C ATOM 294 NE ARG A 219 -5.265 3.416 -16.069 1.00 1.00 N ATOM 295 CZ ARG A 219 -5.354 4.050 -17.238 1.00 1.00 C ATOM 296 NH1 ARG A 219 -6.517 4.544 -17.649 1.00 1.00 N ATOM 297 NH2 ARG A 219 -4.280 4.165 -18.010 1.00 1.00 N ATOM 0 H ARG A 219 -7.652 1.965 -10.687 1.00 1.00 H new ATOM 0 HA ARG A 219 -7.246 -0.137 -12.593 1.00 1.00 H new ATOM 0 HB2 ARG A 219 -8.184 1.952 -13.337 1.00 1.00 H new ATOM 0 HB3 ARG A 219 -6.899 2.882 -12.592 1.00 1.00 H new ATOM 0 HG2 ARG A 219 -5.302 1.641 -14.221 1.00 1.00 H new ATOM 0 HG3 ARG A 219 -6.753 1.154 -15.076 1.00 1.00 H new ATOM 0 HD2 ARG A 219 -7.319 3.372 -15.659 1.00 1.00 H new ATOM 0 HD3 ARG A 219 -6.332 4.065 -14.387 1.00 1.00 H new ATOM 0 HE ARG A 219 -4.365 3.009 -15.815 1.00 1.00 H new ATOM 0 HH11 ARG A 219 -7.349 4.439 -17.069 1.00 1.00 H new ATOM 0 HH12 ARG A 219 -6.578 5.028 -18.545 1.00 1.00 H new ATOM 0 HH21 ARG A 219 -3.390 3.769 -17.708 1.00 1.00 H new ATOM 0 HH22 ARG A 219 -4.345 4.650 -18.905 1.00 1.00 H new ATOM 311 N THR A 220 -4.627 1.405 -11.283 1.00 1.00 N ATOM 312 CA THR A 220 -3.177 1.333 -11.136 1.00 1.00 C ATOM 313 C THR A 220 -2.748 0.031 -10.465 1.00 1.00 C ATOM 314 O THR A 220 -1.794 -0.621 -10.900 1.00 1.00 O ATOM 315 CB THR A 220 -2.623 2.536 -10.339 1.00 1.00 C ATOM 316 OG1 THR A 220 -3.193 2.581 -9.024 1.00 1.00 O ATOM 317 CG2 THR A 220 -2.912 3.844 -11.061 1.00 1.00 C ATOM 0 H THR A 220 -5.073 2.131 -10.723 1.00 1.00 H new ATOM 0 HA THR A 220 -2.760 1.363 -12.143 1.00 1.00 H new ATOM 0 HB THR A 220 -1.544 2.407 -10.256 1.00 1.00 H new ATOM 0 HG1 THR A 220 -4.131 2.858 -9.083 1.00 1.00 H new ATOM 0 HG21 THR A 220 -2.513 4.676 -10.481 1.00 1.00 H new ATOM 0 HG22 THR A 220 -2.442 3.828 -12.044 1.00 1.00 H new ATOM 0 HG23 THR A 220 -3.989 3.966 -11.176 1.00 1.00 H new ATOM 325 N GLY A 221 -3.465 -0.357 -9.424 1.00 1.00 N ATOM 326 CA GLY A 221 -3.138 -1.576 -8.717 1.00 1.00 C ATOM 327 C GLY A 221 -3.031 -1.356 -7.225 1.00 1.00 C ATOM 328 O GLY A 221 -2.397 -2.137 -6.517 1.00 1.00 O ATOM 0 H GLY A 221 -4.269 0.151 -9.055 1.00 1.00 H new ATOM 0 HA2 GLY A 221 -3.901 -2.328 -8.918 1.00 1.00 H new ATOM 0 HA3 GLY A 221 -2.194 -1.971 -9.093 1.00 1.00 H new ATOM 332 N HIS A 222 -3.655 -0.286 -6.752 1.00 1.00 N ATOM 333 CA HIS A 222 -3.645 0.063 -5.342 1.00 1.00 C ATOM 334 C HIS A 222 -4.411 -0.971 -4.536 1.00 1.00 C ATOM 335 O HIS A 222 -5.635 -0.936 -4.485 1.00 1.00 O ATOM 336 CB HIS A 222 -4.282 1.439 -5.141 1.00 1.00 C ATOM 337 CG HIS A 222 -3.430 2.393 -4.372 1.00 1.00 C ATOM 338 ND1 HIS A 222 -3.842 2.999 -3.207 1.00 1.00 N ATOM 339 CD2 HIS A 222 -2.187 2.862 -4.620 1.00 1.00 C ATOM 340 CE1 HIS A 222 -2.889 3.801 -2.772 1.00 1.00 C ATOM 341 NE2 HIS A 222 -1.873 3.735 -3.611 1.00 1.00 N ATOM 0 H HIS A 222 -4.182 0.363 -7.336 1.00 1.00 H new ATOM 0 HA HIS A 222 -2.611 0.087 -4.998 1.00 1.00 H new ATOM 0 HB2 HIS A 222 -4.505 1.871 -6.116 1.00 1.00 H new ATOM 0 HB3 HIS A 222 -5.233 1.316 -4.622 1.00 1.00 H new ATOM 0 HD2 HIS A 222 -1.558 2.598 -5.457 1.00 1.00 H new ATOM 0 HE1 HIS A 222 -2.933 4.409 -1.880 1.00 1.00 H new ATOM 0 HE2 HIS A 222 -0.997 4.250 -3.523 1.00 1.00 H new ATOM 350 N TYR A 223 -3.689 -1.908 -3.940 1.00 1.00 N ATOM 351 CA TYR A 223 -4.313 -2.934 -3.126 1.00 1.00 C ATOM 352 C TYR A 223 -4.677 -2.361 -1.771 1.00 1.00 C ATOM 353 O TYR A 223 -3.811 -1.909 -1.018 1.00 1.00 O ATOM 354 CB TYR A 223 -3.391 -4.143 -2.966 1.00 1.00 C ATOM 355 CG TYR A 223 -3.528 -5.157 -4.080 1.00 1.00 C ATOM 356 CD1 TYR A 223 -4.694 -5.894 -4.226 1.00 1.00 C ATOM 357 CD2 TYR A 223 -2.494 -5.378 -4.982 1.00 1.00 C ATOM 358 CE1 TYR A 223 -4.828 -6.823 -5.237 1.00 1.00 C ATOM 359 CE2 TYR A 223 -2.622 -6.308 -5.997 1.00 1.00 C ATOM 360 CZ TYR A 223 -3.791 -7.027 -6.118 1.00 1.00 C ATOM 361 OH TYR A 223 -3.926 -7.954 -7.124 1.00 1.00 O ATOM 0 H TYR A 223 -2.673 -1.977 -4.006 1.00 1.00 H new ATOM 0 HA TYR A 223 -5.221 -3.271 -3.627 1.00 1.00 H new ATOM 0 HB2 TYR A 223 -2.358 -3.799 -2.924 1.00 1.00 H new ATOM 0 HB3 TYR A 223 -3.604 -4.629 -2.014 1.00 1.00 H new ATOM 0 HD1 TYR A 223 -5.511 -5.738 -3.537 1.00 1.00 H new ATOM 0 HD2 TYR A 223 -1.577 -4.815 -4.889 1.00 1.00 H new ATOM 0 HE1 TYR A 223 -5.743 -7.388 -5.337 1.00 1.00 H new ATOM 0 HE2 TYR A 223 -1.810 -6.470 -6.691 1.00 1.00 H new ATOM 0 HH TYR A 223 -4.810 -8.372 -7.067 1.00 1.00 H new ATOM 371 N LEU A 224 -5.965 -2.341 -1.489 1.00 1.00 N ATOM 372 CA LEU A 224 -6.464 -1.813 -0.235 1.00 1.00 C ATOM 373 C LEU A 224 -7.402 -2.815 0.418 1.00 1.00 C ATOM 374 O LEU A 224 -8.185 -3.477 -0.271 1.00 1.00 O ATOM 375 CB LEU A 224 -7.195 -0.491 -0.484 1.00 1.00 C ATOM 376 CG LEU A 224 -6.439 0.514 -1.359 1.00 1.00 C ATOM 377 CD1 LEU A 224 -7.407 1.451 -2.064 1.00 1.00 C ATOM 378 CD2 LEU A 224 -5.447 1.307 -0.522 1.00 1.00 C ATOM 0 H LEU A 224 -6.690 -2.687 -2.117 1.00 1.00 H new ATOM 0 HA LEU A 224 -5.623 -1.634 0.435 1.00 1.00 H new ATOM 0 HB2 LEU A 224 -8.155 -0.707 -0.952 1.00 1.00 H new ATOM 0 HB3 LEU A 224 -7.407 -0.024 0.478 1.00 1.00 H new ATOM 0 HG LEU A 224 -5.888 -0.042 -2.118 1.00 1.00 H new ATOM 0 HD11 LEU A 224 -6.848 2.156 -2.680 1.00 1.00 H new ATOM 0 HD12 LEU A 224 -8.079 0.871 -2.696 1.00 1.00 H new ATOM 0 HD13 LEU A 224 -7.988 1.999 -1.322 1.00 1.00 H new ATOM 0 HD21 LEU A 224 -4.919 2.016 -1.159 1.00 1.00 H new ATOM 0 HD22 LEU A 224 -5.981 1.849 0.259 1.00 1.00 H new ATOM 0 HD23 LEU A 224 -4.730 0.625 -0.065 1.00 1.00 H new ATOM 390 N CYS A 225 -7.306 -2.932 1.735 1.00 1.00 N ATOM 391 CA CYS A 225 -8.140 -3.849 2.496 1.00 1.00 C ATOM 392 C CYS A 225 -9.621 -3.574 2.249 1.00 1.00 C ATOM 393 O CYS A 225 -10.311 -4.334 1.563 1.00 1.00 O ATOM 394 CB CYS A 225 -7.827 -3.690 3.985 1.00 1.00 C ATOM 395 SG CYS A 225 -7.796 -1.952 4.551 1.00 1.00 S ATOM 0 H CYS A 225 -6.650 -2.396 2.303 1.00 1.00 H new ATOM 0 HA CYS A 225 -7.926 -4.868 2.175 1.00 1.00 H new ATOM 0 HB2 CYS A 225 -8.571 -4.238 4.564 1.00 1.00 H new ATOM 0 HB3 CYS A 225 -6.860 -4.148 4.194 1.00 1.00 H new ATOM 0 HG CYS A 225 -6.717 -1.741 5.245 1.00 1.00 H new ATOM 400 N ASN A 226 -10.080 -2.482 2.837 1.00 1.00 N ATOM 401 CA ASN A 226 -11.459 -2.025 2.728 1.00 1.00 C ATOM 402 C ASN A 226 -11.618 -0.748 3.537 1.00 1.00 C ATOM 403 O ASN A 226 -12.174 0.243 3.061 1.00 1.00 O ATOM 404 CB ASN A 226 -12.439 -3.083 3.240 1.00 1.00 C ATOM 405 CG ASN A 226 -13.889 -2.683 3.044 1.00 1.00 C ATOM 406 OD1 ASN A 226 -14.247 -2.077 2.033 1.00 1.00 O ATOM 407 ND2 ASN A 226 -14.730 -3.014 4.011 1.00 1.00 N ATOM 0 H ASN A 226 -9.496 -1.876 3.414 1.00 1.00 H new ATOM 0 HA ASN A 226 -11.684 -1.841 1.677 1.00 1.00 H new ATOM 0 HB2 ASN A 226 -12.253 -4.024 2.723 1.00 1.00 H new ATOM 0 HB3 ASN A 226 -12.255 -3.260 4.300 1.00 1.00 H new ATOM 0 HD21 ASN A 226 -15.717 -2.767 3.935 1.00 1.00 H new ATOM 0 HD22 ASN A 226 -14.391 -3.516 4.832 1.00 1.00 H new ATOM 414 N ALA A 227 -11.097 -0.771 4.761 1.00 1.00 N ATOM 415 CA ALA A 227 -11.162 0.385 5.643 1.00 1.00 C ATOM 416 C ALA A 227 -10.268 1.495 5.115 1.00 1.00 C ATOM 417 O ALA A 227 -10.686 2.647 4.999 1.00 1.00 O ATOM 418 CB ALA A 227 -10.757 -0.003 7.055 1.00 1.00 C ATOM 0 H ALA A 227 -10.625 -1.581 5.163 1.00 1.00 H new ATOM 0 HA ALA A 227 -12.189 0.750 5.670 1.00 1.00 H new ATOM 0 HB1 ALA A 227 -10.811 0.872 7.702 1.00 1.00 H new ATOM 0 HB2 ALA A 227 -11.432 -0.773 7.429 1.00 1.00 H new ATOM 0 HB3 ALA A 227 -9.737 -0.387 7.048 1.00 1.00 H new ATOM 424 N CYS A 228 -9.041 1.135 4.772 1.00 1.00 N ATOM 425 CA CYS A 228 -8.092 2.094 4.239 1.00 1.00 C ATOM 426 C CYS A 228 -8.331 2.298 2.744 1.00 1.00 C ATOM 427 O CYS A 228 -7.758 3.189 2.122 1.00 1.00 O ATOM 428 CB CYS A 228 -6.673 1.595 4.488 1.00 1.00 C ATOM 429 SG CYS A 228 -6.460 0.744 6.087 1.00 1.00 S ATOM 0 H CYS A 228 -8.681 0.184 4.854 1.00 1.00 H new ATOM 0 HA CYS A 228 -8.227 3.052 4.741 1.00 1.00 H new ATOM 0 HB2 CYS A 228 -6.391 0.914 3.685 1.00 1.00 H new ATOM 0 HB3 CYS A 228 -5.988 2.441 4.444 1.00 1.00 H new ATOM 0 HG CYS A 228 -7.177 -0.340 6.100 1.00 1.00 H new ATOM 434 N GLY A 229 -9.198 1.466 2.183 1.00 1.00 N ATOM 435 CA GLY A 229 -9.512 1.549 0.773 1.00 1.00 C ATOM 436 C GLY A 229 -10.424 2.712 0.453 1.00 1.00 C ATOM 437 O GLY A 229 -10.270 3.371 -0.575 1.00 1.00 O ATOM 0 H GLY A 229 -9.693 0.729 2.686 1.00 1.00 H new ATOM 0 HA2 GLY A 229 -8.588 1.648 0.203 1.00 1.00 H new ATOM 0 HA3 GLY A 229 -9.986 0.621 0.454 1.00 1.00 H new ATOM 441 N LEU A 230 -11.364 2.983 1.348 1.00 1.00 N ATOM 442 CA LEU A 230 -12.308 4.076 1.150 1.00 1.00 C ATOM 443 C LEU A 230 -11.645 5.424 1.417 1.00 1.00 C ATOM 444 O LEU A 230 -12.234 6.474 1.171 1.00 1.00 O ATOM 445 CB LEU A 230 -13.535 3.900 2.047 1.00 1.00 C ATOM 446 CG LEU A 230 -14.481 2.768 1.638 1.00 1.00 C ATOM 447 CD1 LEU A 230 -15.677 2.708 2.578 1.00 1.00 C ATOM 448 CD2 LEU A 230 -14.940 2.952 0.198 1.00 1.00 C ATOM 0 H LEU A 230 -11.494 2.463 2.216 1.00 1.00 H new ATOM 0 HA LEU A 230 -12.633 4.054 0.110 1.00 1.00 H new ATOM 0 HB2 LEU A 230 -13.197 3.719 3.067 1.00 1.00 H new ATOM 0 HB3 LEU A 230 -14.095 4.835 2.058 1.00 1.00 H new ATOM 0 HG LEU A 230 -13.941 1.824 1.708 1.00 1.00 H new ATOM 0 HD11 LEU A 230 -16.339 1.898 2.273 1.00 1.00 H new ATOM 0 HD12 LEU A 230 -15.331 2.530 3.596 1.00 1.00 H new ATOM 0 HD13 LEU A 230 -16.218 3.653 2.539 1.00 1.00 H new ATOM 0 HD21 LEU A 230 -15.612 2.139 -0.076 1.00 1.00 H new ATOM 0 HD22 LEU A 230 -15.463 3.903 0.102 1.00 1.00 H new ATOM 0 HD23 LEU A 230 -14.074 2.946 -0.464 1.00 1.00 H new ATOM 460 N TYR A 231 -10.413 5.388 1.907 1.00 1.00 N ATOM 461 CA TYR A 231 -9.657 6.602 2.196 1.00 1.00 C ATOM 462 C TYR A 231 -9.358 7.354 0.900 1.00 1.00 C ATOM 463 O TYR A 231 -9.383 8.586 0.850 1.00 1.00 O ATOM 464 CB TYR A 231 -8.356 6.237 2.913 1.00 1.00 C ATOM 465 CG TYR A 231 -7.669 7.403 3.588 1.00 1.00 C ATOM 466 CD1 TYR A 231 -7.981 7.757 4.895 1.00 1.00 C ATOM 467 CD2 TYR A 231 -6.703 8.144 2.920 1.00 1.00 C ATOM 468 CE1 TYR A 231 -7.348 8.816 5.516 1.00 1.00 C ATOM 469 CE2 TYR A 231 -6.067 9.205 3.535 1.00 1.00 C ATOM 470 CZ TYR A 231 -6.394 9.536 4.832 1.00 1.00 C ATOM 471 OH TYR A 231 -5.762 10.593 5.447 1.00 1.00 O ATOM 0 H TYR A 231 -9.912 4.524 2.114 1.00 1.00 H new ATOM 0 HA TYR A 231 -10.248 7.250 2.843 1.00 1.00 H new ATOM 0 HB2 TYR A 231 -8.569 5.473 3.661 1.00 1.00 H new ATOM 0 HB3 TYR A 231 -7.669 5.794 2.192 1.00 1.00 H new ATOM 0 HD1 TYR A 231 -8.730 7.195 5.434 1.00 1.00 H new ATOM 0 HD2 TYR A 231 -6.445 7.887 1.903 1.00 1.00 H new ATOM 0 HE1 TYR A 231 -7.600 9.078 6.533 1.00 1.00 H new ATOM 0 HE2 TYR A 231 -5.318 9.772 3.002 1.00 1.00 H new ATOM 0 HH TYR A 231 -5.956 11.420 4.958 1.00 1.00 H new ATOM 481 N HIS A 232 -9.121 6.588 -0.157 1.00 1.00 N ATOM 482 CA HIS A 232 -8.817 7.138 -1.475 1.00 1.00 C ATOM 483 C HIS A 232 -10.091 7.656 -2.149 1.00 1.00 C ATOM 484 O HIS A 232 -10.042 8.246 -3.227 1.00 1.00 O ATOM 485 CB HIS A 232 -8.162 6.047 -2.341 1.00 1.00 C ATOM 486 CG HIS A 232 -7.552 6.541 -3.625 1.00 1.00 C ATOM 487 ND1 HIS A 232 -6.331 7.065 -3.885 1.00 1.00 N flip ATOM 488 CD2 HIS A 232 -8.212 6.514 -4.836 1.00 1.00 C flip ATOM 489 CE1 HIS A 232 -6.278 7.339 -5.226 1.00 1.00 C flip ATOM 490 NE2 HIS A 232 -7.424 7.000 -5.776 1.00 1.00 N flip ATOM 0 H HIS A 232 -9.134 5.569 -0.127 1.00 1.00 H new ATOM 0 HA HIS A 232 -8.128 7.975 -1.363 1.00 1.00 H new ATOM 0 HB2 HIS A 232 -7.388 5.553 -1.754 1.00 1.00 H new ATOM 0 HB3 HIS A 232 -8.912 5.292 -2.578 1.00 1.00 H new ATOM 0 HD2 HIS A 232 -9.217 6.151 -4.991 1.00 1.00 H new ATOM 0 HE1 HIS A 232 -5.433 7.764 -5.747 1.00 1.00 H new ATOM 0 HE2 HIS A 232 -7.663 7.097 -6.763 1.00 1.00 H new ATOM 499 N LYS A 233 -11.230 7.444 -1.500 1.00 1.00 N ATOM 500 CA LYS A 233 -12.513 7.865 -2.045 1.00 1.00 C ATOM 501 C LYS A 233 -13.163 8.944 -1.181 1.00 1.00 C ATOM 502 O LYS A 233 -13.375 10.069 -1.632 1.00 1.00 O ATOM 503 CB LYS A 233 -13.447 6.654 -2.153 1.00 1.00 C ATOM 504 CG LYS A 233 -14.077 6.476 -3.525 1.00 1.00 C ATOM 505 CD LYS A 233 -15.115 7.548 -3.811 1.00 1.00 C ATOM 506 CE LYS A 233 -15.843 7.283 -5.118 1.00 1.00 C ATOM 507 NZ LYS A 233 -16.814 8.362 -5.433 1.00 1.00 N ATOM 0 H LYS A 233 -11.290 6.981 -0.593 1.00 1.00 H new ATOM 0 HA LYS A 233 -12.338 8.289 -3.034 1.00 1.00 H new ATOM 0 HB2 LYS A 233 -12.887 5.753 -1.903 1.00 1.00 H new ATOM 0 HB3 LYS A 233 -14.240 6.753 -1.411 1.00 1.00 H new ATOM 0 HG2 LYS A 233 -13.300 6.509 -4.289 1.00 1.00 H new ATOM 0 HG3 LYS A 233 -14.543 5.493 -3.586 1.00 1.00 H new ATOM 0 HD2 LYS A 233 -15.835 7.586 -2.993 1.00 1.00 H new ATOM 0 HD3 LYS A 233 -14.630 8.523 -3.855 1.00 1.00 H new ATOM 0 HE2 LYS A 233 -15.118 7.198 -5.928 1.00 1.00 H new ATOM 0 HE3 LYS A 233 -16.366 6.329 -5.056 1.00 1.00 H new ATOM 0 HZ1 LYS A 233 -17.292 8.148 -6.331 1.00 1.00 H new ATOM 0 HZ2 LYS A 233 -17.520 8.427 -4.672 1.00 1.00 H new ATOM 0 HZ3 LYS A 233 -16.311 9.268 -5.516 1.00 1.00 H new ATOM 521 N MET A 234 -13.454 8.593 0.065 1.00 1.00 N ATOM 522 CA MET A 234 -14.108 9.504 0.998 1.00 1.00 C ATOM 523 C MET A 234 -13.248 10.725 1.298 1.00 1.00 C ATOM 524 O MET A 234 -13.711 11.857 1.186 1.00 1.00 O ATOM 525 CB MET A 234 -14.444 8.777 2.301 1.00 1.00 C ATOM 526 CG MET A 234 -15.525 9.463 3.121 1.00 1.00 C ATOM 527 SD MET A 234 -17.113 9.505 2.269 1.00 1.00 S ATOM 528 CE MET A 234 -17.501 7.759 2.177 1.00 1.00 C ATOM 0 H MET A 234 -13.245 7.675 0.457 1.00 1.00 H new ATOM 0 HA MET A 234 -15.027 9.849 0.524 1.00 1.00 H new ATOM 0 HB2 MET A 234 -14.766 7.762 2.068 1.00 1.00 H new ATOM 0 HB3 MET A 234 -13.540 8.694 2.904 1.00 1.00 H new ATOM 0 HG2 MET A 234 -15.640 8.943 4.072 1.00 1.00 H new ATOM 0 HG3 MET A 234 -15.212 10.482 3.350 1.00 1.00 H new ATOM 0 HE1 MET A 234 -18.571 7.632 2.012 1.00 1.00 H new ATOM 0 HE2 MET A 234 -16.951 7.307 1.352 1.00 1.00 H new ATOM 0 HE3 MET A 234 -17.218 7.274 3.111 1.00 1.00 H new ATOM 538 N ASN A 235 -11.999 10.492 1.675 1.00 1.00 N ATOM 539 CA ASN A 235 -11.086 11.587 1.994 1.00 1.00 C ATOM 540 C ASN A 235 -10.606 12.278 0.730 1.00 1.00 C ATOM 541 O ASN A 235 -10.141 13.418 0.768 1.00 1.00 O ATOM 542 CB ASN A 235 -9.875 11.080 2.779 1.00 1.00 C ATOM 543 CG ASN A 235 -10.026 11.248 4.276 1.00 1.00 C ATOM 544 OD1 ASN A 235 -11.086 10.989 4.843 1.00 1.00 O ATOM 545 ND2 ASN A 235 -8.966 11.693 4.926 1.00 1.00 N ATOM 0 H ASN A 235 -11.594 9.561 1.768 1.00 1.00 H new ATOM 0 HA ASN A 235 -11.637 12.301 2.607 1.00 1.00 H new ATOM 0 HB2 ASN A 235 -9.717 10.026 2.552 1.00 1.00 H new ATOM 0 HB3 ASN A 235 -8.985 11.614 2.447 1.00 1.00 H new ATOM 0 HD21 ASN A 235 -9.009 11.833 5.935 1.00 1.00 H new ATOM 0 HD22 ASN A 235 -8.105 11.896 4.419 1.00 1.00 H new ATOM 552 N GLY A 236 -10.713 11.576 -0.389 1.00 1.00 N ATOM 553 CA GLY A 236 -10.281 12.125 -1.654 1.00 1.00 C ATOM 554 C GLY A 236 -8.773 12.238 -1.742 1.00 1.00 C ATOM 555 O GLY A 236 -8.245 13.008 -2.545 1.00 1.00 O ATOM 0 H GLY A 236 -11.094 10.631 -0.441 1.00 1.00 H new ATOM 0 HA2 GLY A 236 -10.645 11.494 -2.465 1.00 1.00 H new ATOM 0 HA3 GLY A 236 -10.726 13.110 -1.792 1.00 1.00 H new ATOM 559 N GLN A 237 -8.078 11.468 -0.917 1.00 1.00 N ATOM 560 CA GLN A 237 -6.626 11.484 -0.899 1.00 1.00 C ATOM 561 C GLN A 237 -6.075 10.262 -1.620 1.00 1.00 C ATOM 562 O GLN A 237 -6.794 9.606 -2.375 1.00 1.00 O ATOM 563 CB GLN A 237 -6.112 11.547 0.543 1.00 1.00 C ATOM 564 CG GLN A 237 -6.475 12.843 1.251 1.00 1.00 C ATOM 565 CD GLN A 237 -5.972 12.905 2.680 1.00 1.00 C ATOM 566 OE1 GLN A 237 -6.657 12.482 3.611 1.00 1.00 O ATOM 567 NE2 GLN A 237 -4.779 13.448 2.874 1.00 1.00 N ATOM 0 H GLN A 237 -8.500 10.823 -0.250 1.00 1.00 H new ATOM 0 HA GLN A 237 -6.278 12.374 -1.423 1.00 1.00 H new ATOM 0 HB2 GLN A 237 -6.520 10.707 1.105 1.00 1.00 H new ATOM 0 HB3 GLN A 237 -5.028 11.433 0.541 1.00 1.00 H new ATOM 0 HG2 GLN A 237 -6.063 13.683 0.691 1.00 1.00 H new ATOM 0 HG3 GLN A 237 -7.559 12.959 1.249 1.00 1.00 H new ATOM 0 HE21 GLN A 237 -4.238 13.788 2.079 1.00 1.00 H new ATOM 0 HE22 GLN A 237 -4.401 13.526 3.818 1.00 1.00 H new ATOM 576 N ASN A 238 -4.807 9.964 -1.388 1.00 1.00 N ATOM 577 CA ASN A 238 -4.155 8.827 -2.022 1.00 1.00 C ATOM 578 C ASN A 238 -4.308 7.578 -1.163 1.00 1.00 C ATOM 579 O ASN A 238 -4.423 7.728 0.069 1.00 1.00 O ATOM 580 CB ASN A 238 -2.675 9.135 -2.247 1.00 1.00 C ATOM 581 CG ASN A 238 -2.006 8.140 -3.173 1.00 1.00 C ATOM 582 OD1 ASN A 238 -2.082 8.268 -4.395 1.00 1.00 O ATOM 583 ND2 ASN A 238 -1.337 7.152 -2.602 1.00 1.00 N ATOM 0 H ASN A 238 -4.204 10.497 -0.761 1.00 1.00 H new ATOM 0 HA ASN A 238 -4.630 8.643 -2.986 1.00 1.00 H new ATOM 0 HB2 ASN A 238 -2.576 10.137 -2.664 1.00 1.00 H new ATOM 0 HB3 ASN A 238 -2.158 9.137 -1.287 1.00 1.00 H new ATOM 0 HD21 ASN A 238 -0.859 6.460 -3.179 1.00 1.00 H new ATOM 0 HD22 ASN A 238 -1.299 7.083 -1.585 1.00 1.00 H new ATOM 591 N GLY B 1 26.560 4.342 -11.217 1.00 1.00 N ATOM 592 CA GLY B 1 26.864 4.395 -9.768 1.00 1.00 C ATOM 593 C GLY B 1 25.658 4.798 -8.950 1.00 1.00 C ATOM 594 O GLY B 1 24.525 4.681 -9.420 1.00 1.00 O ATOM 0 H1 GLY B 1 26.857 3.422 -11.601 1.00 1.00 H new ATOM 0 H2 GLY B 1 25.537 4.464 -11.362 1.00 1.00 H new ATOM 0 H3 GLY B 1 27.072 5.103 -11.707 1.00 1.00 H new ATOM 0 HA2 GLY B 1 27.217 3.419 -9.436 1.00 1.00 H new ATOM 0 HA3 GLY B 1 27.674 5.104 -9.593 1.00 1.00 H new ATOM 600 N SER B 2 25.901 5.281 -7.732 1.00 1.00 N ATOM 601 CA SER B 2 24.833 5.700 -6.825 1.00 1.00 C ATOM 602 C SER B 2 23.820 4.569 -6.628 1.00 1.00 C ATOM 603 O SER B 2 24.156 3.393 -6.785 1.00 1.00 O ATOM 604 CB SER B 2 24.143 6.955 -7.370 1.00 1.00 C ATOM 605 OG SER B 2 25.094 7.931 -7.764 1.00 1.00 O ATOM 0 H SER B 2 26.839 5.393 -7.348 1.00 1.00 H new ATOM 0 HA SER B 2 25.270 5.936 -5.855 1.00 1.00 H new ATOM 0 HB2 SER B 2 23.517 6.689 -8.221 1.00 1.00 H new ATOM 0 HB3 SER B 2 23.484 7.372 -6.608 1.00 1.00 H new ATOM 0 HG SER B 2 24.628 8.721 -8.110 1.00 1.00 H new ATOM 611 N LEU B 3 22.592 4.913 -6.268 1.00 1.00 N ATOM 612 CA LEU B 3 21.560 3.907 -6.086 1.00 1.00 C ATOM 613 C LEU B 3 20.651 3.880 -7.309 1.00 1.00 C ATOM 614 O LEU B 3 20.826 3.043 -8.195 1.00 1.00 O ATOM 615 CB LEU B 3 20.739 4.172 -4.821 1.00 1.00 C ATOM 616 CG LEU B 3 19.720 3.081 -4.472 1.00 1.00 C ATOM 617 CD1 LEU B 3 20.428 1.791 -4.080 1.00 1.00 C ATOM 618 CD2 LEU B 3 18.797 3.552 -3.359 1.00 1.00 C ATOM 0 H LEU B 3 22.289 5.872 -6.098 1.00 1.00 H new ATOM 0 HA LEU B 3 22.043 2.937 -5.970 1.00 1.00 H new ATOM 0 HB2 LEU B 3 21.423 4.293 -3.981 1.00 1.00 H new ATOM 0 HB3 LEU B 3 20.210 5.118 -4.940 1.00 1.00 H new ATOM 0 HG LEU B 3 19.114 2.879 -5.355 1.00 1.00 H new ATOM 0 HD11 LEU B 3 19.688 1.029 -3.836 1.00 1.00 H new ATOM 0 HD12 LEU B 3 21.043 1.446 -4.911 1.00 1.00 H new ATOM 0 HD13 LEU B 3 21.061 1.973 -3.212 1.00 1.00 H new ATOM 0 HD21 LEU B 3 18.080 2.766 -3.124 1.00 1.00 H new ATOM 0 HD22 LEU B 3 19.386 3.784 -2.471 1.00 1.00 H new ATOM 0 HD23 LEU B 3 18.263 4.445 -3.683 1.00 1.00 H new ATOM 630 N LEU B 4 19.698 4.820 -7.352 1.00 1.00 N ATOM 631 CA LEU B 4 18.733 4.950 -8.454 1.00 1.00 C ATOM 632 C LEU B 4 17.733 3.789 -8.493 1.00 1.00 C ATOM 633 O LEU B 4 16.536 4.002 -8.684 1.00 1.00 O ATOM 634 CB LEU B 4 19.443 5.074 -9.811 1.00 1.00 C ATOM 635 CG LEU B 4 19.900 6.486 -10.197 1.00 1.00 C ATOM 636 CD1 LEU B 4 18.794 7.501 -9.949 1.00 1.00 C ATOM 637 CD2 LEU B 4 21.163 6.872 -9.442 1.00 1.00 C ATOM 0 H LEU B 4 19.573 5.517 -6.618 1.00 1.00 H new ATOM 0 HA LEU B 4 18.175 5.867 -8.263 1.00 1.00 H new ATOM 0 HB2 LEU B 4 20.314 4.419 -9.805 1.00 1.00 H new ATOM 0 HB3 LEU B 4 18.772 4.705 -10.586 1.00 1.00 H new ATOM 0 HG LEU B 4 20.128 6.486 -11.263 1.00 1.00 H new ATOM 0 HD11 LEU B 4 19.142 8.495 -10.230 1.00 1.00 H new ATOM 0 HD12 LEU B 4 17.920 7.240 -10.546 1.00 1.00 H new ATOM 0 HD13 LEU B 4 18.526 7.496 -8.892 1.00 1.00 H new ATOM 0 HD21 LEU B 4 21.468 7.877 -9.733 1.00 1.00 H new ATOM 0 HD22 LEU B 4 20.968 6.848 -8.370 1.00 1.00 H new ATOM 0 HD23 LEU B 4 21.960 6.168 -9.682 1.00 1.00 H new ATOM 649 N LYS B 5 18.221 2.572 -8.317 1.00 1.00 N ATOM 650 CA LYS B 5 17.372 1.391 -8.346 1.00 1.00 C ATOM 651 C LYS B 5 16.859 1.058 -6.950 1.00 1.00 C ATOM 652 O LYS B 5 17.631 0.691 -6.064 1.00 1.00 O ATOM 653 CB LYS B 5 18.143 0.201 -8.926 1.00 1.00 C ATOM 654 CG LYS B 5 18.802 0.487 -10.272 1.00 1.00 C ATOM 655 CD LYS B 5 17.815 0.379 -11.429 1.00 1.00 C ATOM 656 CE LYS B 5 16.919 1.607 -11.537 1.00 1.00 C ATOM 657 NZ LYS B 5 15.867 1.442 -12.575 1.00 1.00 N ATOM 0 H LYS B 5 19.208 2.375 -8.151 1.00 1.00 H new ATOM 0 HA LYS B 5 16.513 1.601 -8.984 1.00 1.00 H new ATOM 0 HB2 LYS B 5 18.910 -0.104 -8.214 1.00 1.00 H new ATOM 0 HB3 LYS B 5 17.460 -0.641 -9.039 1.00 1.00 H new ATOM 0 HG2 LYS B 5 19.235 1.487 -10.258 1.00 1.00 H new ATOM 0 HG3 LYS B 5 19.622 -0.213 -10.429 1.00 1.00 H new ATOM 0 HD2 LYS B 5 18.364 0.248 -12.362 1.00 1.00 H new ATOM 0 HD3 LYS B 5 17.197 -0.509 -11.296 1.00 1.00 H new ATOM 0 HE2 LYS B 5 16.449 1.798 -10.572 1.00 1.00 H new ATOM 0 HE3 LYS B 5 17.528 2.480 -11.774 1.00 1.00 H new ATOM 0 HZ1 LYS B 5 15.281 2.300 -12.615 1.00 1.00 H new ATOM 0 HZ2 LYS B 5 16.314 1.285 -13.501 1.00 1.00 H new ATOM 0 HZ3 LYS B 5 15.269 0.625 -12.337 1.00 1.00 H new ATOM 671 N PRO B 6 15.543 1.184 -6.735 1.00 1.00 N ATOM 672 CA PRO B 6 14.920 0.903 -5.446 1.00 1.00 C ATOM 673 C PRO B 6 14.560 -0.574 -5.289 1.00 1.00 C ATOM 674 O PRO B 6 13.389 -0.931 -5.153 1.00 1.00 O ATOM 675 CB PRO B 6 13.665 1.769 -5.495 1.00 1.00 C ATOM 676 CG PRO B 6 13.281 1.802 -6.940 1.00 1.00 C ATOM 677 CD PRO B 6 14.549 1.607 -7.739 1.00 1.00 C ATOM 0 HA PRO B 6 15.575 1.117 -4.602 1.00 1.00 H new ATOM 0 HB2 PRO B 6 12.868 1.346 -4.883 1.00 1.00 H new ATOM 0 HB3 PRO B 6 13.861 2.772 -5.115 1.00 1.00 H new ATOM 0 HG2 PRO B 6 12.559 1.017 -7.165 1.00 1.00 H new ATOM 0 HG3 PRO B 6 12.809 2.752 -7.192 1.00 1.00 H new ATOM 0 HD2 PRO B 6 14.420 0.852 -8.515 1.00 1.00 H new ATOM 0 HD3 PRO B 6 14.852 2.528 -8.237 1.00 1.00 H new ATOM 685 N ALA B 7 15.575 -1.426 -5.291 1.00 1.00 N ATOM 686 CA ALA B 7 15.375 -2.867 -5.166 1.00 1.00 C ATOM 687 C ALA B 7 15.129 -3.284 -3.713 1.00 1.00 C ATOM 688 O ALA B 7 15.775 -4.198 -3.196 1.00 1.00 O ATOM 689 CB ALA B 7 16.577 -3.602 -5.741 1.00 1.00 C ATOM 0 H ALA B 7 16.552 -1.145 -5.378 1.00 1.00 H new ATOM 0 HA ALA B 7 14.483 -3.137 -5.731 1.00 1.00 H new ATOM 0 HB1 ALA B 7 16.425 -4.677 -5.647 1.00 1.00 H new ATOM 0 HB2 ALA B 7 16.693 -3.343 -6.793 1.00 1.00 H new ATOM 0 HB3 ALA B 7 17.475 -3.313 -5.195 1.00 1.00 H new ATOM 695 N ARG B 8 14.181 -2.617 -3.068 1.00 1.00 N ATOM 696 CA ARG B 8 13.831 -2.907 -1.684 1.00 1.00 C ATOM 697 C ARG B 8 12.314 -2.904 -1.522 1.00 1.00 C ATOM 698 O ARG B 8 11.628 -2.055 -2.088 1.00 1.00 O ATOM 699 CB ARG B 8 14.461 -1.881 -0.731 1.00 1.00 C ATOM 700 CG ARG B 8 15.964 -2.037 -0.550 1.00 1.00 C ATOM 701 CD ARG B 8 16.318 -3.404 0.009 1.00 1.00 C ATOM 702 NE ARG B 8 17.698 -3.457 0.486 1.00 1.00 N ATOM 703 CZ ARG B 8 18.516 -4.494 0.300 1.00 1.00 C ATOM 704 NH1 ARG B 8 18.109 -5.556 -0.385 1.00 1.00 N ATOM 705 NH2 ARG B 8 19.750 -4.467 0.786 1.00 1.00 N ATOM 0 H ARG B 8 13.636 -1.864 -3.487 1.00 1.00 H new ATOM 0 HA ARG B 8 14.221 -3.893 -1.431 1.00 1.00 H new ATOM 0 HB2 ARG B 8 14.254 -0.879 -1.106 1.00 1.00 H new ATOM 0 HB3 ARG B 8 13.979 -1.963 0.243 1.00 1.00 H new ATOM 0 HG2 ARG B 8 16.464 -1.894 -1.508 1.00 1.00 H new ATOM 0 HG3 ARG B 8 16.333 -1.261 0.121 1.00 1.00 H new ATOM 0 HD2 ARG B 8 15.641 -3.648 0.828 1.00 1.00 H new ATOM 0 HD3 ARG B 8 16.171 -4.161 -0.762 1.00 1.00 H new ATOM 0 HE ARG B 8 18.059 -2.649 0.994 1.00 1.00 H new ATOM 0 HH11 ARG B 8 17.166 -5.582 -0.773 1.00 1.00 H new ATOM 0 HH12 ARG B 8 18.739 -6.346 -0.524 1.00 1.00 H new ATOM 0 HH21 ARG B 8 20.076 -3.651 1.304 1.00 1.00 H new ATOM 0 HH22 ARG B 8 20.372 -5.262 0.642 1.00 1.00 H new ATOM 719 N PHE B 9 11.793 -3.853 -0.754 1.00 1.00 N ATOM 720 CA PHE B 9 10.353 -3.954 -0.531 1.00 1.00 C ATOM 721 C PHE B 9 10.042 -4.152 0.951 1.00 1.00 C ATOM 722 O PHE B 9 9.017 -4.735 1.313 1.00 1.00 O ATOM 723 CB PHE B 9 9.767 -5.111 -1.353 1.00 1.00 C ATOM 724 CG PHE B 9 10.679 -6.307 -1.463 1.00 1.00 C ATOM 725 CD1 PHE B 9 10.856 -7.168 -0.390 1.00 1.00 C ATOM 726 CD2 PHE B 9 11.359 -6.564 -2.642 1.00 1.00 C ATOM 727 CE1 PHE B 9 11.692 -8.262 -0.494 1.00 1.00 C ATOM 728 CE2 PHE B 9 12.196 -7.657 -2.751 1.00 1.00 C ATOM 729 CZ PHE B 9 12.363 -8.507 -1.676 1.00 1.00 C ATOM 0 H PHE B 9 12.345 -4.564 -0.274 1.00 1.00 H new ATOM 0 HA PHE B 9 9.893 -3.020 -0.855 1.00 1.00 H new ATOM 0 HB2 PHE B 9 8.826 -5.425 -0.901 1.00 1.00 H new ATOM 0 HB3 PHE B 9 9.535 -4.750 -2.355 1.00 1.00 H new ATOM 0 HD1 PHE B 9 10.334 -6.981 0.537 1.00 1.00 H new ATOM 0 HD2 PHE B 9 11.233 -5.902 -3.486 1.00 1.00 H new ATOM 0 HE1 PHE B 9 11.821 -8.926 0.348 1.00 1.00 H new ATOM 0 HE2 PHE B 9 12.719 -7.847 -3.676 1.00 1.00 H new ATOM 0 HZ PHE B 9 13.017 -9.362 -1.759 1.00 1.00 H new ATOM 739 N MET B 10 10.931 -3.664 1.803 1.00 1.00 N ATOM 740 CA MET B 10 10.760 -3.789 3.244 1.00 1.00 C ATOM 741 C MET B 10 11.522 -2.693 3.968 1.00 1.00 C ATOM 742 O MET B 10 12.752 -2.640 3.912 1.00 1.00 O ATOM 743 CB MET B 10 11.240 -5.161 3.732 1.00 1.00 C ATOM 744 CG MET B 10 11.258 -5.294 5.248 1.00 1.00 C ATOM 745 SD MET B 10 11.972 -6.854 5.807 1.00 1.00 S ATOM 746 CE MET B 10 12.086 -6.557 7.572 1.00 1.00 C ATOM 0 H MET B 10 11.781 -3.176 1.521 1.00 1.00 H new ATOM 0 HA MET B 10 9.697 -3.690 3.466 1.00 1.00 H new ATOM 0 HB2 MET B 10 10.593 -5.933 3.315 1.00 1.00 H new ATOM 0 HB3 MET B 10 12.243 -5.344 3.347 1.00 1.00 H new ATOM 0 HG2 MET B 10 11.826 -4.467 5.674 1.00 1.00 H new ATOM 0 HG3 MET B 10 10.240 -5.210 5.627 1.00 1.00 H new ATOM 0 HE1 MET B 10 12.511 -7.433 8.062 1.00 1.00 H new ATOM 0 HE2 MET B 10 12.725 -5.694 7.755 1.00 1.00 H new ATOM 0 HE3 MET B 10 11.091 -6.363 7.973 1.00 1.00 H new ATOM 756 N CYS B 11 10.790 -1.811 4.627 1.00 1.00 N ATOM 757 CA CYS B 11 11.394 -0.726 5.368 1.00 1.00 C ATOM 758 C CYS B 11 11.911 -1.222 6.711 1.00 1.00 C ATOM 759 O CYS B 11 11.246 -2.006 7.395 1.00 1.00 O ATOM 760 CB CYS B 11 10.374 0.386 5.566 1.00 1.00 C ATOM 761 SG CYS B 11 9.238 0.583 4.158 1.00 1.00 S ATOM 0 H CYS B 11 9.771 -1.829 4.662 1.00 1.00 H new ATOM 0 HA CYS B 11 12.240 -0.335 4.803 1.00 1.00 H new ATOM 0 HB2 CYS B 11 9.794 0.181 6.466 1.00 1.00 H new ATOM 0 HB3 CYS B 11 10.900 1.326 5.733 1.00 1.00 H new ATOM 0 HG CYS B 11 8.018 0.368 4.551 1.00 1.00 H new ATOM 766 N LEU B 12 13.098 -0.763 7.069 1.00 1.00 N ATOM 767 CA LEU B 12 13.736 -1.143 8.324 1.00 1.00 C ATOM 768 C LEU B 12 12.887 -0.750 9.546 1.00 1.00 C ATOM 769 O LEU B 12 12.624 -1.595 10.402 1.00 1.00 O ATOM 770 CB LEU B 12 15.136 -0.520 8.418 1.00 1.00 C ATOM 771 CG LEU B 12 16.269 -1.325 7.761 1.00 1.00 C ATOM 772 CD1 LEU B 12 16.013 -1.518 6.273 1.00 1.00 C ATOM 773 CD2 LEU B 12 17.606 -0.632 7.978 1.00 1.00 C ATOM 0 H LEU B 12 13.648 -0.118 6.502 1.00 1.00 H new ATOM 0 HA LEU B 12 13.827 -2.229 8.330 1.00 1.00 H new ATOM 0 HB2 LEU B 12 15.105 0.469 7.960 1.00 1.00 H new ATOM 0 HB3 LEU B 12 15.380 -0.377 9.471 1.00 1.00 H new ATOM 0 HG LEU B 12 16.299 -2.308 8.231 1.00 1.00 H new ATOM 0 HD11 LEU B 12 16.830 -2.091 5.834 1.00 1.00 H new ATOM 0 HD12 LEU B 12 15.076 -2.057 6.132 1.00 1.00 H new ATOM 0 HD13 LEU B 12 15.949 -0.545 5.786 1.00 1.00 H new ATOM 0 HD21 LEU B 12 18.398 -1.214 7.507 1.00 1.00 H new ATOM 0 HD22 LEU B 12 17.576 0.364 7.536 1.00 1.00 H new ATOM 0 HD23 LEU B 12 17.803 -0.549 9.047 1.00 1.00 H new ATOM 785 N PRO B 13 12.443 0.528 9.656 1.00 1.00 N ATOM 786 CA PRO B 13 11.626 0.980 10.794 1.00 1.00 C ATOM 787 C PRO B 13 10.298 0.232 10.898 1.00 1.00 C ATOM 788 O PRO B 13 9.886 -0.166 11.991 1.00 1.00 O ATOM 789 CB PRO B 13 11.376 2.465 10.500 1.00 1.00 C ATOM 790 CG PRO B 13 12.443 2.855 9.539 1.00 1.00 C ATOM 791 CD PRO B 13 12.704 1.635 8.712 1.00 1.00 C ATOM 0 HA PRO B 13 12.131 0.799 11.743 1.00 1.00 H new ATOM 0 HB2 PRO B 13 10.385 2.621 10.073 1.00 1.00 H new ATOM 0 HB3 PRO B 13 11.429 3.061 11.411 1.00 1.00 H new ATOM 0 HG2 PRO B 13 12.123 3.690 8.916 1.00 1.00 H new ATOM 0 HG3 PRO B 13 13.344 3.174 10.062 1.00 1.00 H new ATOM 0 HD2 PRO B 13 12.046 1.588 7.844 1.00 1.00 H new ATOM 0 HD3 PRO B 13 13.728 1.613 8.338 1.00 1.00 H new ATOM 799 N CYS B 14 9.634 0.045 9.764 1.00 1.00 N ATOM 800 CA CYS B 14 8.360 -0.652 9.731 1.00 1.00 C ATOM 801 C CYS B 14 8.536 -2.123 10.093 1.00 1.00 C ATOM 802 O CYS B 14 7.911 -2.622 11.024 1.00 1.00 O ATOM 803 CB CYS B 14 7.752 -0.527 8.338 1.00 1.00 C ATOM 804 SG CYS B 14 8.177 1.033 7.505 1.00 1.00 S ATOM 0 H CYS B 14 9.960 0.369 8.853 1.00 1.00 H new ATOM 0 HA CYS B 14 7.693 -0.200 10.465 1.00 1.00 H new ATOM 0 HB2 CYS B 14 8.091 -1.362 7.725 1.00 1.00 H new ATOM 0 HB3 CYS B 14 6.668 -0.607 8.414 1.00 1.00 H new ATOM 0 HG CYS B 14 7.935 2.031 8.303 1.00 1.00 H new ATOM 809 N GLY B 15 9.397 -2.808 9.355 1.00 1.00 N ATOM 810 CA GLY B 15 9.632 -4.214 9.607 1.00 1.00 C ATOM 811 C GLY B 15 8.643 -5.095 8.872 1.00 1.00 C ATOM 812 O GLY B 15 8.691 -6.324 8.970 1.00 1.00 O ATOM 0 H GLY B 15 9.938 -2.414 8.585 1.00 1.00 H new ATOM 0 HA2 GLY B 15 10.646 -4.473 9.301 1.00 1.00 H new ATOM 0 HA3 GLY B 15 9.564 -4.407 10.678 1.00 1.00 H new ATOM 816 N ILE B 16 7.740 -4.465 8.137 1.00 1.00 N ATOM 817 CA ILE B 16 6.728 -5.184 7.378 1.00 1.00 C ATOM 818 C ILE B 16 7.206 -5.419 5.951 1.00 1.00 C ATOM 819 O ILE B 16 7.404 -4.468 5.191 1.00 1.00 O ATOM 820 CB ILE B 16 5.388 -4.414 7.340 1.00 1.00 C ATOM 821 CG1 ILE B 16 4.932 -4.054 8.754 1.00 1.00 C ATOM 822 CG2 ILE B 16 4.319 -5.240 6.639 1.00 1.00 C ATOM 823 CD1 ILE B 16 4.787 -2.567 8.986 1.00 1.00 C ATOM 0 H ILE B 16 7.687 -3.450 8.050 1.00 1.00 H new ATOM 0 HA ILE B 16 6.566 -6.138 7.879 1.00 1.00 H new ATOM 0 HB ILE B 16 5.541 -3.492 6.780 1.00 1.00 H new ATOM 0 HG12 ILE B 16 3.976 -4.539 8.952 1.00 1.00 H new ATOM 0 HG13 ILE B 16 5.648 -4.456 9.471 1.00 1.00 H new ATOM 0 HG21 ILE B 16 3.382 -4.683 6.621 1.00 1.00 H new ATOM 0 HG22 ILE B 16 4.635 -5.452 5.617 1.00 1.00 H new ATOM 0 HG23 ILE B 16 4.173 -6.178 7.176 1.00 1.00 H new ATOM 0 HD11 ILE B 16 4.461 -2.389 10.011 1.00 1.00 H new ATOM 0 HD12 ILE B 16 5.747 -2.078 8.821 1.00 1.00 H new ATOM 0 HD13 ILE B 16 4.049 -2.161 8.294 1.00 1.00 H new ATOM 835 N ALA B 17 7.413 -6.682 5.604 1.00 1.00 N ATOM 836 CA ALA B 17 7.861 -7.048 4.266 1.00 1.00 C ATOM 837 C ALA B 17 6.687 -7.055 3.294 1.00 1.00 C ATOM 838 O ALA B 17 5.716 -7.790 3.483 1.00 1.00 O ATOM 839 CB ALA B 17 8.549 -8.408 4.286 1.00 1.00 C ATOM 0 H ALA B 17 7.277 -7.474 6.233 1.00 1.00 H new ATOM 0 HA ALA B 17 8.582 -6.304 3.928 1.00 1.00 H new ATOM 0 HB1 ALA B 17 8.877 -8.665 3.279 1.00 1.00 H new ATOM 0 HB2 ALA B 17 9.413 -8.369 4.950 1.00 1.00 H new ATOM 0 HB3 ALA B 17 7.850 -9.164 4.644 1.00 1.00 H new ATOM 845 N PHE B 18 6.775 -6.234 2.260 1.00 1.00 N ATOM 846 CA PHE B 18 5.712 -6.147 1.274 1.00 1.00 C ATOM 847 C PHE B 18 6.003 -7.028 0.070 1.00 1.00 C ATOM 848 O PHE B 18 7.075 -7.631 -0.032 1.00 1.00 O ATOM 849 CB PHE B 18 5.497 -4.696 0.844 1.00 1.00 C ATOM 850 CG PHE B 18 4.315 -4.061 1.513 1.00 1.00 C ATOM 851 CD1 PHE B 18 3.948 -4.434 2.796 1.00 1.00 C ATOM 852 CD2 PHE B 18 3.563 -3.102 0.857 1.00 1.00 C ATOM 853 CE1 PHE B 18 2.854 -3.862 3.412 1.00 1.00 C ATOM 854 CE2 PHE B 18 2.467 -2.529 1.467 1.00 1.00 C ATOM 855 CZ PHE B 18 2.113 -2.909 2.747 1.00 1.00 C ATOM 0 H PHE B 18 7.570 -5.620 2.083 1.00 1.00 H new ATOM 0 HA PHE B 18 4.794 -6.510 1.737 1.00 1.00 H new ATOM 0 HB2 PHE B 18 6.392 -4.118 1.073 1.00 1.00 H new ATOM 0 HB3 PHE B 18 5.361 -4.658 -0.237 1.00 1.00 H new ATOM 0 HD1 PHE B 18 4.525 -5.181 3.320 1.00 1.00 H new ATOM 0 HD2 PHE B 18 3.837 -2.799 -0.143 1.00 1.00 H new ATOM 0 HE1 PHE B 18 2.579 -4.160 4.413 1.00 1.00 H new ATOM 0 HE2 PHE B 18 1.886 -1.784 0.944 1.00 1.00 H new ATOM 0 HZ PHE B 18 1.256 -2.460 3.226 1.00 1.00 H new ATOM 865 N SER B 19 5.042 -7.106 -0.837 1.00 1.00 N ATOM 866 CA SER B 19 5.186 -7.928 -2.023 1.00 1.00 C ATOM 867 C SER B 19 4.810 -7.156 -3.286 1.00 1.00 C ATOM 868 O SER B 19 5.447 -7.309 -4.328 1.00 1.00 O ATOM 869 CB SER B 19 4.315 -9.178 -1.892 1.00 1.00 C ATOM 870 OG SER B 19 4.331 -9.675 -0.560 1.00 1.00 O ATOM 0 H SER B 19 4.154 -6.609 -0.772 1.00 1.00 H new ATOM 0 HA SER B 19 6.233 -8.219 -2.111 1.00 1.00 H new ATOM 0 HB2 SER B 19 3.291 -8.944 -2.184 1.00 1.00 H new ATOM 0 HB3 SER B 19 4.673 -9.948 -2.575 1.00 1.00 H new ATOM 0 HG SER B 19 3.765 -10.473 -0.502 1.00 1.00 H new ATOM 876 N SER B 20 3.786 -6.320 -3.195 1.00 1.00 N ATOM 877 CA SER B 20 3.338 -5.549 -4.343 1.00 1.00 C ATOM 878 C SER B 20 3.982 -4.162 -4.356 1.00 1.00 C ATOM 879 O SER B 20 4.059 -3.489 -3.328 1.00 1.00 O ATOM 880 CB SER B 20 1.811 -5.431 -4.333 1.00 1.00 C ATOM 881 OG SER B 20 1.207 -6.651 -3.930 1.00 1.00 O ATOM 0 H SER B 20 3.252 -6.159 -2.341 1.00 1.00 H new ATOM 0 HA SER B 20 3.646 -6.071 -5.249 1.00 1.00 H new ATOM 0 HB2 SER B 20 1.509 -4.631 -3.657 1.00 1.00 H new ATOM 0 HB3 SER B 20 1.458 -5.158 -5.327 1.00 1.00 H new ATOM 0 HG SER B 20 1.106 -6.660 -2.955 1.00 1.00 H new ATOM 887 N PRO B 21 4.470 -3.721 -5.525 1.00 1.00 N ATOM 888 CA PRO B 21 5.102 -2.408 -5.670 1.00 1.00 C ATOM 889 C PRO B 21 4.075 -1.280 -5.679 1.00 1.00 C ATOM 890 O PRO B 21 4.417 -0.109 -5.506 1.00 1.00 O ATOM 891 CB PRO B 21 5.801 -2.506 -7.025 1.00 1.00 C ATOM 892 CG PRO B 21 4.985 -3.483 -7.799 1.00 1.00 C ATOM 893 CD PRO B 21 4.458 -4.472 -6.797 1.00 1.00 C ATOM 0 HA PRO B 21 5.775 -2.178 -4.844 1.00 1.00 H new ATOM 0 HB2 PRO B 21 5.837 -1.537 -7.523 1.00 1.00 H new ATOM 0 HB3 PRO B 21 6.830 -2.847 -6.916 1.00 1.00 H new ATOM 0 HG2 PRO B 21 4.168 -2.983 -8.320 1.00 1.00 H new ATOM 0 HG3 PRO B 21 5.589 -3.981 -8.558 1.00 1.00 H new ATOM 0 HD2 PRO B 21 3.453 -4.807 -7.055 1.00 1.00 H new ATOM 0 HD3 PRO B 21 5.086 -5.361 -6.743 1.00 1.00 H new ATOM 901 N SER B 22 2.817 -1.644 -5.882 1.00 1.00 N ATOM 902 CA SER B 22 1.732 -0.678 -5.921 1.00 1.00 C ATOM 903 C SER B 22 1.265 -0.322 -4.512 1.00 1.00 C ATOM 904 O SER B 22 0.767 0.779 -4.269 1.00 1.00 O ATOM 905 CB SER B 22 0.578 -1.251 -6.738 1.00 1.00 C ATOM 906 OG SER B 22 1.065 -1.911 -7.893 1.00 1.00 O ATOM 0 H SER B 22 2.522 -2.610 -6.023 1.00 1.00 H new ATOM 0 HA SER B 22 2.090 0.238 -6.391 1.00 1.00 H new ATOM 0 HB2 SER B 22 0.005 -1.949 -6.128 1.00 1.00 H new ATOM 0 HB3 SER B 22 -0.101 -0.450 -7.029 1.00 1.00 H new ATOM 0 HG SER B 22 0.312 -2.274 -8.404 1.00 1.00 H new ATOM 912 N THR B 23 1.421 -1.255 -3.583 1.00 1.00 N ATOM 913 CA THR B 23 1.028 -1.020 -2.207 1.00 1.00 C ATOM 914 C THR B 23 2.073 -0.167 -1.504 1.00 1.00 C ATOM 915 O THR B 23 1.749 0.660 -0.650 1.00 1.00 O ATOM 916 CB THR B 23 0.840 -2.342 -1.451 1.00 1.00 C ATOM 917 OG1 THR B 23 1.551 -3.384 -2.123 1.00 1.00 O ATOM 918 CG2 THR B 23 -0.629 -2.700 -1.362 1.00 1.00 C ATOM 0 H THR B 23 1.816 -2.179 -3.760 1.00 1.00 H new ATOM 0 HA THR B 23 0.075 -0.492 -2.214 1.00 1.00 H new ATOM 0 HB THR B 23 1.231 -2.226 -0.440 1.00 1.00 H new ATOM 0 HG1 THR B 23 1.775 -4.092 -1.484 1.00 1.00 H new ATOM 0 HG21 THR B 23 -0.742 -3.640 -0.823 1.00 1.00 H new ATOM 0 HG22 THR B 23 -1.164 -1.911 -0.833 1.00 1.00 H new ATOM 0 HG23 THR B 23 -1.039 -2.806 -2.366 1.00 1.00 H new ATOM 926 N LEU B 24 3.328 -0.352 -1.902 1.00 1.00 N ATOM 927 CA LEU B 24 4.441 0.396 -1.334 1.00 1.00 C ATOM 928 C LEU B 24 4.308 1.886 -1.650 1.00 1.00 C ATOM 929 O LEU B 24 4.928 2.727 -0.998 1.00 1.00 O ATOM 930 CB LEU B 24 5.768 -0.147 -1.875 1.00 1.00 C ATOM 931 CG LEU B 24 7.025 0.478 -1.268 1.00 1.00 C ATOM 932 CD1 LEU B 24 7.107 0.180 0.222 1.00 1.00 C ATOM 933 CD2 LEU B 24 8.269 -0.029 -1.980 1.00 1.00 C ATOM 0 H LEU B 24 3.600 -1.021 -2.623 1.00 1.00 H new ATOM 0 HA LEU B 24 4.424 0.274 -0.251 1.00 1.00 H new ATOM 0 HB2 LEU B 24 5.798 -1.223 -1.704 1.00 1.00 H new ATOM 0 HB3 LEU B 24 5.791 0.005 -2.954 1.00 1.00 H new ATOM 0 HG LEU B 24 6.967 1.559 -1.399 1.00 1.00 H new ATOM 0 HD11 LEU B 24 8.008 0.633 0.635 1.00 1.00 H new ATOM 0 HD12 LEU B 24 6.231 0.591 0.724 1.00 1.00 H new ATOM 0 HD13 LEU B 24 7.140 -0.899 0.376 1.00 1.00 H new ATOM 0 HD21 LEU B 24 9.154 0.426 -1.535 1.00 1.00 H new ATOM 0 HD22 LEU B 24 8.329 -1.113 -1.880 1.00 1.00 H new ATOM 0 HD23 LEU B 24 8.217 0.236 -3.036 1.00 1.00 H new ATOM 945 N GLU B 25 3.492 2.198 -2.653 1.00 1.00 N ATOM 946 CA GLU B 25 3.257 3.578 -3.063 1.00 1.00 C ATOM 947 C GLU B 25 2.677 4.389 -1.903 1.00 1.00 C ATOM 948 O GLU B 25 3.212 5.437 -1.537 1.00 1.00 O ATOM 949 CB GLU B 25 2.313 3.614 -4.269 1.00 1.00 C ATOM 950 CG GLU B 25 2.262 4.959 -4.978 1.00 1.00 C ATOM 951 CD GLU B 25 1.125 5.839 -4.497 1.00 1.00 C ATOM 952 OE1 GLU B 25 0.153 5.302 -3.927 1.00 1.00 O ATOM 953 OE2 GLU B 25 1.197 7.070 -4.694 1.00 1.00 O ATOM 0 H GLU B 25 2.979 1.507 -3.200 1.00 1.00 H new ATOM 0 HA GLU B 25 4.208 4.025 -3.351 1.00 1.00 H new ATOM 0 HB2 GLU B 25 2.623 2.851 -4.983 1.00 1.00 H new ATOM 0 HB3 GLU B 25 1.308 3.351 -3.938 1.00 1.00 H new ATOM 0 HG2 GLU B 25 3.207 5.480 -4.825 1.00 1.00 H new ATOM 0 HG3 GLU B 25 2.158 4.795 -6.051 1.00 1.00 H new ATOM 960 N ALA B 26 1.590 3.896 -1.321 1.00 1.00 N ATOM 961 CA ALA B 26 0.958 4.578 -0.200 1.00 1.00 C ATOM 962 C ALA B 26 1.608 4.149 1.107 1.00 1.00 C ATOM 963 O ALA B 26 1.575 4.881 2.100 1.00 1.00 O ATOM 964 CB ALA B 26 -0.535 4.316 -0.181 1.00 1.00 C ATOM 0 H ALA B 26 1.130 3.031 -1.605 1.00 1.00 H new ATOM 0 HA ALA B 26 1.102 5.652 -0.319 1.00 1.00 H new ATOM 0 HB1 ALA B 26 -0.985 4.836 0.665 1.00 1.00 H new ATOM 0 HB2 ALA B 26 -0.980 4.678 -1.108 1.00 1.00 H new ATOM 0 HB3 ALA B 26 -0.715 3.245 -0.087 1.00 1.00 H new ATOM 970 N HIS B 27 2.181 2.944 1.108 1.00 1.00 N ATOM 971 CA HIS B 27 2.882 2.431 2.282 1.00 1.00 C ATOM 972 C HIS B 27 3.952 3.432 2.694 1.00 1.00 C ATOM 973 O HIS B 27 4.022 3.839 3.854 1.00 1.00 O ATOM 974 CB HIS B 27 3.522 1.058 1.992 1.00 1.00 C ATOM 975 CG HIS B 27 4.333 0.491 3.132 1.00 1.00 C ATOM 976 ND1 HIS B 27 4.044 -0.698 3.765 1.00 1.00 N ATOM 977 CD2 HIS B 27 5.442 0.977 3.748 1.00 1.00 C ATOM 978 CE1 HIS B 27 4.965 -0.889 4.724 1.00 1.00 C ATOM 979 NE2 HIS B 27 5.832 0.101 4.751 1.00 1.00 N ATOM 0 H HIS B 27 2.173 2.308 0.310 1.00 1.00 H new ATOM 0 HA HIS B 27 2.165 2.298 3.092 1.00 1.00 H new ATOM 0 HB2 HIS B 27 2.733 0.350 1.737 1.00 1.00 H new ATOM 0 HB3 HIS B 27 4.164 1.149 1.116 1.00 1.00 H new ATOM 0 HD1 HIS B 27 3.268 -1.323 3.545 1.00 1.00 H new ATOM 0 HD2 HIS B 27 5.942 1.901 3.496 1.00 1.00 H new ATOM 0 HE1 HIS B 27 4.991 -1.742 5.386 1.00 1.00 H new ATOM 987 N GLN B 28 4.761 3.842 1.722 1.00 1.00 N ATOM 988 CA GLN B 28 5.830 4.803 1.957 1.00 1.00 C ATOM 989 C GLN B 28 5.251 6.217 2.043 1.00 1.00 C ATOM 990 O GLN B 28 5.656 7.121 1.315 1.00 1.00 O ATOM 991 CB GLN B 28 6.868 4.716 0.835 1.00 1.00 C ATOM 992 CG GLN B 28 8.238 5.254 1.215 1.00 1.00 C ATOM 993 CD GLN B 28 8.750 6.293 0.234 1.00 1.00 C ATOM 994 OE1 GLN B 28 9.947 6.366 -0.044 1.00 1.00 O ATOM 995 NE2 GLN B 28 7.856 7.125 -0.276 1.00 1.00 N ATOM 0 H GLN B 28 4.694 3.520 0.757 1.00 1.00 H new ATOM 0 HA GLN B 28 6.320 4.569 2.902 1.00 1.00 H new ATOM 0 HB2 GLN B 28 6.970 3.675 0.529 1.00 1.00 H new ATOM 0 HB3 GLN B 28 6.500 5.268 -0.030 1.00 1.00 H new ATOM 0 HG2 GLN B 28 8.188 5.694 2.211 1.00 1.00 H new ATOM 0 HG3 GLN B 28 8.947 4.428 1.267 1.00 1.00 H new ATOM 0 HE21 GLN B 28 6.872 7.034 -0.023 1.00 1.00 H new ATOM 0 HE22 GLN B 28 8.151 7.857 -0.922 1.00 1.00 H new ATOM 1004 N ALA B 29 4.289 6.379 2.937 1.00 1.00 N ATOM 1005 CA ALA B 29 3.618 7.650 3.160 1.00 1.00 C ATOM 1006 C ALA B 29 2.753 7.555 4.405 1.00 1.00 C ATOM 1007 O ALA B 29 2.877 8.360 5.330 1.00 1.00 O ATOM 1008 CB ALA B 29 2.762 8.037 1.957 1.00 1.00 C ATOM 0 H ALA B 29 3.949 5.625 3.534 1.00 1.00 H new ATOM 0 HA ALA B 29 4.375 8.422 3.298 1.00 1.00 H new ATOM 0 HB1 ALA B 29 2.272 8.991 2.151 1.00 1.00 H new ATOM 0 HB2 ALA B 29 3.395 8.127 1.074 1.00 1.00 H new ATOM 0 HB3 ALA B 29 2.007 7.270 1.786 1.00 1.00 H new ATOM 1014 N TYR B 30 1.890 6.549 4.424 1.00 1.00 N ATOM 1015 CA TYR B 30 0.989 6.327 5.545 1.00 1.00 C ATOM 1016 C TYR B 30 1.550 5.289 6.514 1.00 1.00 C ATOM 1017 O TYR B 30 1.640 5.540 7.713 1.00 1.00 O ATOM 1018 CB TYR B 30 -0.380 5.855 5.050 1.00 1.00 C ATOM 1019 CG TYR B 30 -1.096 6.820 4.135 1.00 1.00 C ATOM 1020 CD1 TYR B 30 -1.931 7.803 4.649 1.00 1.00 C ATOM 1021 CD2 TYR B 30 -0.958 6.730 2.758 1.00 1.00 C ATOM 1022 CE1 TYR B 30 -2.609 8.671 3.812 1.00 1.00 C ATOM 1023 CE2 TYR B 30 -1.625 7.595 1.914 1.00 1.00 C ATOM 1024 CZ TYR B 30 -2.451 8.563 2.444 1.00 1.00 C ATOM 1025 OH TYR B 30 -3.131 9.414 1.603 1.00 1.00 O ATOM 0 H TYR B 30 1.795 5.869 3.669 1.00 1.00 H new ATOM 0 HA TYR B 30 0.884 7.278 6.067 1.00 1.00 H new ATOM 0 HB2 TYR B 30 -0.253 4.907 4.526 1.00 1.00 H new ATOM 0 HB3 TYR B 30 -1.014 5.659 5.914 1.00 1.00 H new ATOM 0 HD1 TYR B 30 -2.053 7.891 5.718 1.00 1.00 H new ATOM 0 HD2 TYR B 30 -0.317 5.969 2.338 1.00 1.00 H new ATOM 0 HE1 TYR B 30 -3.258 9.429 4.226 1.00 1.00 H new ATOM 0 HE2 TYR B 30 -1.500 7.514 0.844 1.00 1.00 H new ATOM 0 HH TYR B 30 -3.321 8.956 0.758 1.00 1.00 H new ATOM 1035 N TYR B 31 1.922 4.124 5.986 1.00 1.00 N ATOM 1036 CA TYR B 31 2.447 3.039 6.813 1.00 1.00 C ATOM 1037 C TYR B 31 3.790 3.414 7.435 1.00 1.00 C ATOM 1038 O TYR B 31 4.024 3.145 8.615 1.00 1.00 O ATOM 1039 CB TYR B 31 2.579 1.753 5.993 1.00 1.00 C ATOM 1040 CG TYR B 31 2.081 0.518 6.708 1.00 1.00 C ATOM 1041 CD1 TYR B 31 2.047 0.455 8.094 1.00 1.00 C ATOM 1042 CD2 TYR B 31 1.644 -0.587 5.993 1.00 1.00 C ATOM 1043 CE1 TYR B 31 1.592 -0.674 8.747 1.00 1.00 C ATOM 1044 CE2 TYR B 31 1.188 -1.719 6.636 1.00 1.00 C ATOM 1045 CZ TYR B 31 1.163 -1.759 8.014 1.00 1.00 C ATOM 1046 OH TYR B 31 0.710 -2.888 8.661 1.00 1.00 O ATOM 0 H TYR B 31 1.870 3.907 4.991 1.00 1.00 H new ATOM 0 HA TYR B 31 1.739 2.866 7.623 1.00 1.00 H new ATOM 0 HB2 TYR B 31 2.026 1.869 5.061 1.00 1.00 H new ATOM 0 HB3 TYR B 31 3.626 1.609 5.726 1.00 1.00 H new ATOM 0 HD1 TYR B 31 2.382 1.303 8.672 1.00 1.00 H new ATOM 0 HD2 TYR B 31 1.661 -0.561 4.913 1.00 1.00 H new ATOM 0 HE1 TYR B 31 1.573 -0.706 9.826 1.00 1.00 H new ATOM 0 HE2 TYR B 31 0.852 -2.570 6.063 1.00 1.00 H new ATOM 0 HH TYR B 31 0.342 -3.516 8.005 1.00 1.00 H new ATOM 1056 N CYS B 32 4.670 4.020 6.644 1.00 1.00 N ATOM 1057 CA CYS B 32 5.974 4.448 7.137 1.00 1.00 C ATOM 1058 C CYS B 32 5.833 5.705 8.002 1.00 1.00 C ATOM 1059 O CYS B 32 6.283 6.787 7.620 1.00 1.00 O ATOM 1060 CB CYS B 32 6.923 4.725 5.969 1.00 1.00 C ATOM 1061 SG CYS B 32 7.305 3.270 4.940 1.00 1.00 S ATOM 0 H CYS B 32 4.503 4.226 5.659 1.00 1.00 H new ATOM 0 HA CYS B 32 6.389 3.645 7.746 1.00 1.00 H new ATOM 0 HB2 CYS B 32 6.484 5.496 5.336 1.00 1.00 H new ATOM 0 HB3 CYS B 32 7.855 5.129 6.363 1.00 1.00 H new ATOM 0 HG CYS B 32 7.687 2.288 5.702 1.00 1.00 H new ATOM 1066 N SER B 33 5.199 5.542 9.157 1.00 1.00 N ATOM 1067 CA SER B 33 4.971 6.633 10.099 1.00 1.00 C ATOM 1068 C SER B 33 4.144 7.750 9.456 1.00 1.00 C ATOM 1069 O SER B 33 2.916 7.657 9.385 1.00 1.00 O ATOM 1070 CB SER B 33 6.303 7.169 10.631 1.00 1.00 C ATOM 1071 OG SER B 33 7.156 6.104 11.023 1.00 1.00 O ATOM 0 H SER B 33 4.826 4.645 9.469 1.00 1.00 H new ATOM 0 HA SER B 33 4.400 6.243 10.942 1.00 1.00 H new ATOM 0 HB2 SER B 33 6.792 7.768 9.863 1.00 1.00 H new ATOM 0 HB3 SER B 33 6.122 7.827 11.481 1.00 1.00 H new ATOM 0 HG SER B 33 8.002 6.469 11.358 1.00 1.00 H new ATOM 1077 N HIS B 34 4.812 8.794 8.977 1.00 1.00 N ATOM 1078 CA HIS B 34 4.132 9.916 8.344 1.00 1.00 C ATOM 1079 C HIS B 34 5.059 10.605 7.354 1.00 1.00 C ATOM 1080 O HIS B 34 5.717 11.594 7.685 1.00 1.00 O ATOM 1081 CB HIS B 34 3.648 10.924 9.391 1.00 1.00 C ATOM 1082 CG HIS B 34 2.273 10.640 9.916 1.00 1.00 C ATOM 1083 ND1 HIS B 34 2.038 10.080 11.154 1.00 1.00 N ATOM 1084 CD2 HIS B 34 1.056 10.847 9.366 1.00 1.00 C ATOM 1085 CE1 HIS B 34 0.740 9.957 11.340 1.00 1.00 C ATOM 1086 NE2 HIS B 34 0.121 10.414 10.271 1.00 1.00 N ATOM 0 H HIS B 34 5.827 8.886 9.016 1.00 1.00 H new ATOM 0 HA HIS B 34 3.264 9.527 7.811 1.00 1.00 H new ATOM 0 HB2 HIS B 34 4.350 10.933 10.225 1.00 1.00 H new ATOM 0 HB3 HIS B 34 3.660 11.922 8.953 1.00 1.00 H new ATOM 0 HD2 HIS B 34 0.857 11.274 8.394 1.00 1.00 H new ATOM 0 HE1 HIS B 34 0.264 9.550 12.220 1.00 1.00 H new ATOM 0 HE2 HIS B 34 -0.890 10.441 10.138 1.00 1.00 H new