USER MOD reduce.3.24.130724 H: found=0, std=0, add=539, rem=0, adj=23 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 -166:sc= 2.31 USER MOD Set 1.2: B 14 CYS SG : rot -110:sc= -0.943 USER MOD Set 1.3: B 27 HIS :FLIP no HE2:sc= -6.85! C(o=-8.1!,f=-7.6!) USER MOD Set 1.4: B 28 GLN : amide:sc= 0.949 K(o=-7.6,f=-11!) USER MOD Set 1.5: B 32 CYS SG : rot -68:sc= -3.02! USER MOD Set 2.1: A 235 ASN : amide:sc= 1.13 K(o=2,f=-1.9!) USER MOD Set 2.2: A 237 GLN : amide:sc= 0.847 K(o=2,f=-2.6) USER MOD Set 3.1: A 222 HIS : no HD1:sc= 0.736 K(o=-1.5,f=-7.9!) USER MOD Set 3.2: A 232 HIS : no HD1:sc= -3.19! C(o=-1.5!,f=-4.9!) USER MOD Set 3.3: A 238 ASN : amide:sc= 1 K(o=-1.5,f=-5.7) USER MOD Set 4.1: A 204 CYS SG : rot 144:sc= 2.22! USER MOD Set 4.2: A 207 CYS SG : rot 180:sc= -0.813 USER MOD Set 4.3: A 225 CYS SG : rot 180:sc= 2.34 USER MOD Set 4.4: A 228 CYS SG : rot 138:sc= 0.744 USER MOD Single : A 206 ASN : amide:sc= -7.64! C(o=-7.6!,f=-13!) USER MOD Single : A 210 THR OG1 : rot -53:sc= 0.866 USER MOD Single : A 212 THR OG1 : rot 166:sc= 0.556 USER MOD Single : A 220 THR OG1 : rot 86:sc= 1.12 USER MOD Single : A 223 TYR OH : rot 180:sc= 0.546 USER MOD Single : A 226 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 231 TYR OH : rot 180:sc= 0 USER MOD Single : A 233 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 234 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 1 GLY N :NH3+ -126:sc= 0.0863 (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 -150:sc= 0.263 USER MOD Single : B 20 SER OG : rot 89:sc= 0.892 USER MOD Single : B 22 SER OG : rot 180:sc= 0.0203 USER MOD Single : B 23 THR OG1 : rot -174:sc= -1.73! USER MOD Single : B 30 TYR OH : rot 61:sc= -0.421! USER MOD Single : B 31 TYR OH : rot 180:sc= 0 USER MOD Single : B 33 SER OG : rot 180:sc= 0 USER MOD Single : B 34 HIS : no HE2:sc= 0.645 K(o=0.65,f=-2.1!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 200 -2.576 -16.274 4.287 1.00 1.00 N ATOM 2 CA GLU A 200 -1.695 -15.395 3.492 1.00 1.00 C ATOM 3 C GLU A 200 -2.444 -14.863 2.280 1.00 1.00 C ATOM 4 O GLU A 200 -3.025 -15.632 1.516 1.00 1.00 O ATOM 5 CB GLU A 200 -0.439 -16.145 3.035 1.00 1.00 C ATOM 6 CG GLU A 200 0.537 -16.454 4.159 1.00 1.00 C ATOM 7 CD GLU A 200 0.130 -17.664 4.973 1.00 1.00 C ATOM 8 OE1 GLU A 200 -0.795 -17.544 5.802 1.00 1.00 O ATOM 9 OE2 GLU A 200 0.722 -18.746 4.777 1.00 1.00 O ATOM 0 HA GLU A 200 -1.389 -14.561 4.124 1.00 1.00 H new ATOM 0 HB2 GLU A 200 -0.738 -17.079 2.560 1.00 1.00 H new ATOM 0 HB3 GLU A 200 0.071 -15.551 2.277 1.00 1.00 H new ATOM 0 HG2 GLU A 200 1.528 -16.622 3.738 1.00 1.00 H new ATOM 0 HG3 GLU A 200 0.613 -15.588 4.817 1.00 1.00 H new ATOM 16 N ALA A 201 -2.443 -13.550 2.121 1.00 1.00 N ATOM 17 CA ALA A 201 -3.114 -12.908 1.002 1.00 1.00 C ATOM 18 C ALA A 201 -2.328 -11.685 0.551 1.00 1.00 C ATOM 19 O ALA A 201 -1.220 -11.444 1.034 1.00 1.00 O ATOM 20 CB ALA A 201 -4.532 -12.516 1.389 1.00 1.00 C ATOM 0 H ALA A 201 -1.980 -12.902 2.759 1.00 1.00 H new ATOM 0 HA ALA A 201 -3.166 -13.614 0.173 1.00 1.00 H new ATOM 0 HB1 ALA A 201 -5.021 -12.037 0.541 1.00 1.00 H new ATOM 0 HB2 ALA A 201 -5.091 -13.407 1.674 1.00 1.00 H new ATOM 0 HB3 ALA A 201 -4.501 -11.823 2.230 1.00 1.00 H new ATOM 26 N ARG A 202 -2.897 -10.920 -0.373 1.00 1.00 N ATOM 27 CA ARG A 202 -2.246 -9.718 -0.875 1.00 1.00 C ATOM 28 C ARG A 202 -2.138 -8.685 0.242 1.00 1.00 C ATOM 29 O ARG A 202 -2.929 -8.700 1.185 1.00 1.00 O ATOM 30 CB ARG A 202 -3.034 -9.146 -2.058 1.00 1.00 C ATOM 31 CG ARG A 202 -2.209 -8.264 -2.987 1.00 1.00 C ATOM 32 CD ARG A 202 -1.268 -9.084 -3.860 1.00 1.00 C ATOM 33 NE ARG A 202 -0.048 -9.463 -3.148 1.00 1.00 N ATOM 34 CZ ARG A 202 0.546 -10.650 -3.251 1.00 1.00 C ATOM 35 NH1 ARG A 202 0.058 -11.570 -4.072 1.00 1.00 N ATOM 36 NH2 ARG A 202 1.641 -10.912 -2.550 1.00 1.00 N ATOM 0 H ARG A 202 -3.808 -11.112 -0.789 1.00 1.00 H new ATOM 0 HA ARG A 202 -1.243 -9.972 -1.218 1.00 1.00 H new ATOM 0 HB2 ARG A 202 -3.453 -9.971 -2.635 1.00 1.00 H new ATOM 0 HB3 ARG A 202 -3.874 -8.566 -1.675 1.00 1.00 H new ATOM 0 HG2 ARG A 202 -2.876 -7.680 -3.621 1.00 1.00 H new ATOM 0 HG3 ARG A 202 -1.630 -7.555 -2.395 1.00 1.00 H new ATOM 0 HD2 ARG A 202 -1.782 -9.982 -4.202 1.00 1.00 H new ATOM 0 HD3 ARG A 202 -1.005 -8.510 -4.748 1.00 1.00 H new ATOM 0 HE ARG A 202 0.377 -8.771 -2.531 1.00 1.00 H new ATOM 0 HH11 ARG A 202 -0.774 -11.369 -4.626 1.00 1.00 H new ATOM 0 HH12 ARG A 202 0.515 -12.479 -4.149 1.00 1.00 H new ATOM 0 HH21 ARG A 202 2.031 -10.203 -1.929 1.00 1.00 H new ATOM 0 HH22 ARG A 202 2.093 -11.823 -2.632 1.00 1.00 H new ATOM 50 N GLU A 203 -1.153 -7.810 0.146 1.00 1.00 N ATOM 51 CA GLU A 203 -0.950 -6.783 1.155 1.00 1.00 C ATOM 52 C GLU A 203 -1.667 -5.500 0.763 1.00 1.00 C ATOM 53 O GLU A 203 -1.880 -5.237 -0.422 1.00 1.00 O ATOM 54 CB GLU A 203 0.545 -6.499 1.359 1.00 1.00 C ATOM 55 CG GLU A 203 1.480 -7.424 0.588 1.00 1.00 C ATOM 56 CD GLU A 203 1.644 -7.021 -0.866 1.00 1.00 C ATOM 57 OE1 GLU A 203 2.538 -6.208 -1.170 1.00 1.00 O ATOM 58 OE2 GLU A 203 0.891 -7.536 -1.716 1.00 1.00 O ATOM 0 H GLU A 203 -0.480 -7.789 -0.620 1.00 1.00 H new ATOM 0 HA GLU A 203 -1.365 -7.152 2.093 1.00 1.00 H new ATOM 0 HB2 GLU A 203 0.749 -5.470 1.063 1.00 1.00 H new ATOM 0 HB3 GLU A 203 0.774 -6.577 2.422 1.00 1.00 H new ATOM 0 HG2 GLU A 203 2.457 -7.429 1.071 1.00 1.00 H new ATOM 0 HG3 GLU A 203 1.096 -8.443 0.636 1.00 1.00 H new ATOM 65 N CYS A 204 -2.044 -4.713 1.765 1.00 1.00 N ATOM 66 CA CYS A 204 -2.723 -3.453 1.533 1.00 1.00 C ATOM 67 C CYS A 204 -1.719 -2.400 1.101 1.00 1.00 C ATOM 68 O CYS A 204 -0.523 -2.672 0.973 1.00 1.00 O ATOM 69 CB CYS A 204 -3.448 -2.991 2.803 1.00 1.00 C ATOM 70 SG CYS A 204 -4.535 -1.537 2.584 1.00 1.00 S ATOM 0 H CYS A 204 -1.888 -4.931 2.749 1.00 1.00 H new ATOM 0 HA CYS A 204 -3.461 -3.595 0.743 1.00 1.00 H new ATOM 0 HB2 CYS A 204 -4.046 -3.819 3.184 1.00 1.00 H new ATOM 0 HB3 CYS A 204 -2.704 -2.758 3.564 1.00 1.00 H new ATOM 0 HG CYS A 204 -5.593 -1.670 3.328 1.00 1.00 H new ATOM 75 N VAL A 205 -2.203 -1.194 0.910 1.00 1.00 N ATOM 76 CA VAL A 205 -1.356 -0.098 0.499 1.00 1.00 C ATOM 77 C VAL A 205 -0.664 0.520 1.694 1.00 1.00 C ATOM 78 O VAL A 205 0.127 1.431 1.539 1.00 1.00 O ATOM 79 CB VAL A 205 -2.147 1.007 -0.221 1.00 1.00 C ATOM 80 CG1 VAL A 205 -2.752 0.481 -1.506 1.00 1.00 C ATOM 81 CG2 VAL A 205 -3.220 1.578 0.694 1.00 1.00 C ATOM 0 H VAL A 205 -3.185 -0.947 1.034 1.00 1.00 H new ATOM 0 HA VAL A 205 -0.624 -0.517 -0.191 1.00 1.00 H new ATOM 0 HB VAL A 205 -1.459 1.812 -0.479 1.00 1.00 H new ATOM 0 HG11 VAL A 205 -3.307 1.278 -2.000 1.00 1.00 H new ATOM 0 HG12 VAL A 205 -1.958 0.130 -2.165 1.00 1.00 H new ATOM 0 HG13 VAL A 205 -3.427 -0.344 -1.279 1.00 1.00 H new ATOM 0 HG21 VAL A 205 -3.769 2.358 0.168 1.00 1.00 H new ATOM 0 HG22 VAL A 205 -3.908 0.785 0.987 1.00 1.00 H new ATOM 0 HG23 VAL A 205 -2.753 2.000 1.584 1.00 1.00 H new ATOM 91 N ASN A 206 -0.967 0.033 2.887 1.00 1.00 N ATOM 92 CA ASN A 206 -0.361 0.584 4.086 1.00 1.00 C ATOM 93 C ASN A 206 -0.209 -0.456 5.183 1.00 1.00 C ATOM 94 O ASN A 206 0.906 -0.714 5.643 1.00 1.00 O ATOM 95 CB ASN A 206 -1.174 1.769 4.605 1.00 1.00 C ATOM 96 CG ASN A 206 -0.589 3.089 4.159 1.00 1.00 C ATOM 97 OD1 ASN A 206 0.432 3.527 4.678 1.00 1.00 O ATOM 98 ND2 ASN A 206 -1.229 3.739 3.199 1.00 1.00 N ATOM 0 H ASN A 206 -1.621 -0.733 3.049 1.00 1.00 H new ATOM 0 HA ASN A 206 0.637 0.923 3.809 1.00 1.00 H new ATOM 0 HB2 ASN A 206 -2.201 1.688 4.250 1.00 1.00 H new ATOM 0 HB3 ASN A 206 -1.209 1.736 5.694 1.00 1.00 H new ATOM 0 HD21 ASN A 206 -0.875 4.636 2.867 1.00 1.00 H new ATOM 0 HD22 ASN A 206 -2.076 3.342 2.791 1.00 1.00 H new ATOM 105 N CYS A 207 -1.320 -1.052 5.593 1.00 1.00 N ATOM 106 CA CYS A 207 -1.303 -2.038 6.659 1.00 1.00 C ATOM 107 C CYS A 207 -0.746 -3.374 6.181 1.00 1.00 C ATOM 108 O CYS A 207 0.331 -3.801 6.600 1.00 1.00 O ATOM 109 CB CYS A 207 -2.720 -2.219 7.205 1.00 1.00 C ATOM 110 SG CYS A 207 -4.013 -2.285 5.920 1.00 1.00 S ATOM 0 H CYS A 207 -2.244 -0.868 5.202 1.00 1.00 H new ATOM 0 HA CYS A 207 -0.647 -1.676 7.450 1.00 1.00 H new ATOM 0 HB2 CYS A 207 -2.757 -3.138 7.790 1.00 1.00 H new ATOM 0 HB3 CYS A 207 -2.942 -1.398 7.887 1.00 1.00 H new ATOM 0 HG CYS A 207 -5.175 -2.442 6.481 1.00 1.00 H new ATOM 115 N GLY A 208 -1.495 -4.027 5.313 1.00 1.00 N ATOM 116 CA GLY A 208 -1.082 -5.312 4.795 1.00 1.00 C ATOM 117 C GLY A 208 -1.864 -6.438 5.433 1.00 1.00 C ATOM 118 O GLY A 208 -1.657 -7.610 5.124 1.00 1.00 O ATOM 0 H GLY A 208 -2.388 -3.689 4.955 1.00 1.00 H new ATOM 0 HA2 GLY A 208 -1.224 -5.334 3.715 1.00 1.00 H new ATOM 0 HA3 GLY A 208 -0.017 -5.456 4.979 1.00 1.00 H new ATOM 122 N ALA A 209 -2.767 -6.075 6.333 1.00 1.00 N ATOM 123 CA ALA A 209 -3.591 -7.050 7.022 1.00 1.00 C ATOM 124 C ALA A 209 -4.848 -7.331 6.216 1.00 1.00 C ATOM 125 O ALA A 209 -5.671 -6.441 5.999 1.00 1.00 O ATOM 126 CB ALA A 209 -3.943 -6.556 8.416 1.00 1.00 C ATOM 0 H ALA A 209 -2.946 -5.107 6.602 1.00 1.00 H new ATOM 0 HA ALA A 209 -3.030 -7.979 7.123 1.00 1.00 H new ATOM 0 HB1 ALA A 209 -4.561 -7.299 8.920 1.00 1.00 H new ATOM 0 HB2 ALA A 209 -3.028 -6.397 8.987 1.00 1.00 H new ATOM 0 HB3 ALA A 209 -4.492 -5.617 8.342 1.00 1.00 H new ATOM 132 N THR A 210 -4.991 -8.569 5.767 1.00 1.00 N ATOM 133 CA THR A 210 -6.143 -8.969 4.972 1.00 1.00 C ATOM 134 C THR A 210 -7.396 -9.140 5.847 1.00 1.00 C ATOM 135 O THR A 210 -8.001 -10.212 5.914 1.00 1.00 O ATOM 136 CB THR A 210 -5.835 -10.259 4.166 1.00 1.00 C ATOM 137 OG1 THR A 210 -6.969 -10.654 3.381 1.00 1.00 O ATOM 138 CG2 THR A 210 -5.413 -11.404 5.079 1.00 1.00 C ATOM 0 H THR A 210 -4.320 -9.317 5.941 1.00 1.00 H new ATOM 0 HA THR A 210 -6.352 -8.171 4.260 1.00 1.00 H new ATOM 0 HB THR A 210 -5.004 -10.031 3.499 1.00 1.00 H new ATOM 0 HG1 THR A 210 -7.759 -10.721 3.958 1.00 1.00 H new ATOM 0 HG21 THR A 210 -5.206 -12.290 4.479 1.00 1.00 H new ATOM 0 HG22 THR A 210 -4.516 -11.120 5.628 1.00 1.00 H new ATOM 0 HG23 THR A 210 -6.216 -11.622 5.783 1.00 1.00 H new ATOM 146 N ALA A 211 -7.786 -8.058 6.509 1.00 1.00 N ATOM 147 CA ALA A 211 -8.958 -8.061 7.375 1.00 1.00 C ATOM 148 C ALA A 211 -10.209 -7.699 6.582 1.00 1.00 C ATOM 149 O ALA A 211 -11.321 -7.702 7.110 1.00 1.00 O ATOM 150 CB ALA A 211 -8.761 -7.093 8.535 1.00 1.00 C ATOM 0 H ALA A 211 -7.303 -7.161 6.462 1.00 1.00 H new ATOM 0 HA ALA A 211 -9.088 -9.065 7.780 1.00 1.00 H new ATOM 0 HB1 ALA A 211 -9.644 -7.106 9.174 1.00 1.00 H new ATOM 0 HB2 ALA A 211 -7.889 -7.394 9.116 1.00 1.00 H new ATOM 0 HB3 ALA A 211 -8.609 -6.086 8.147 1.00 1.00 H new ATOM 156 N THR A 212 -10.017 -7.392 5.309 1.00 1.00 N ATOM 157 CA THR A 212 -11.119 -7.033 4.436 1.00 1.00 C ATOM 158 C THR A 212 -11.702 -8.289 3.786 1.00 1.00 C ATOM 159 O THR A 212 -10.962 -9.209 3.425 1.00 1.00 O ATOM 160 CB THR A 212 -10.669 -6.025 3.351 1.00 1.00 C ATOM 161 OG1 THR A 212 -11.779 -5.628 2.535 1.00 1.00 O ATOM 162 CG2 THR A 212 -9.578 -6.613 2.473 1.00 1.00 C ATOM 0 H THR A 212 -9.103 -7.385 4.857 1.00 1.00 H new ATOM 0 HA THR A 212 -11.889 -6.553 5.039 1.00 1.00 H new ATOM 0 HB THR A 212 -10.271 -5.150 3.864 1.00 1.00 H new ATOM 0 HG1 THR A 212 -11.533 -4.838 2.010 1.00 1.00 H new ATOM 0 HG21 THR A 212 -9.283 -5.882 1.721 1.00 1.00 H new ATOM 0 HG22 THR A 212 -8.715 -6.870 3.088 1.00 1.00 H new ATOM 0 HG23 THR A 212 -9.952 -7.510 1.980 1.00 1.00 H new ATOM 170 N PRO A 213 -13.038 -8.360 3.666 1.00 1.00 N ATOM 171 CA PRO A 213 -13.723 -9.509 3.058 1.00 1.00 C ATOM 172 C PRO A 213 -13.464 -9.613 1.560 1.00 1.00 C ATOM 173 O PRO A 213 -13.624 -10.680 0.964 1.00 1.00 O ATOM 174 CB PRO A 213 -15.203 -9.223 3.323 1.00 1.00 C ATOM 175 CG PRO A 213 -15.284 -7.747 3.496 1.00 1.00 C ATOM 176 CD PRO A 213 -13.989 -7.336 4.135 1.00 1.00 C ATOM 0 HA PRO A 213 -13.376 -10.455 3.474 1.00 1.00 H new ATOM 0 HB2 PRO A 213 -15.825 -9.558 2.493 1.00 1.00 H new ATOM 0 HB3 PRO A 213 -15.553 -9.745 4.214 1.00 1.00 H new ATOM 0 HG2 PRO A 213 -15.422 -7.248 2.537 1.00 1.00 H new ATOM 0 HG3 PRO A 213 -16.133 -7.473 4.122 1.00 1.00 H new ATOM 0 HD2 PRO A 213 -13.688 -6.335 3.825 1.00 1.00 H new ATOM 0 HD3 PRO A 213 -14.063 -7.324 5.222 1.00 1.00 H new ATOM 184 N LEU A 214 -13.058 -8.501 0.965 1.00 1.00 N ATOM 185 CA LEU A 214 -12.776 -8.451 -0.459 1.00 1.00 C ATOM 186 C LEU A 214 -11.819 -7.306 -0.762 1.00 1.00 C ATOM 187 O LEU A 214 -12.114 -6.145 -0.470 1.00 1.00 O ATOM 188 CB LEU A 214 -14.072 -8.278 -1.258 1.00 1.00 C ATOM 189 CG LEU A 214 -13.921 -8.398 -2.775 1.00 1.00 C ATOM 190 CD1 LEU A 214 -13.590 -9.831 -3.171 1.00 1.00 C ATOM 191 CD2 LEU A 214 -15.190 -7.927 -3.471 1.00 1.00 C ATOM 0 H LEU A 214 -12.916 -7.616 1.452 1.00 1.00 H new ATOM 0 HA LEU A 214 -12.310 -9.391 -0.753 1.00 1.00 H new ATOM 0 HB2 LEU A 214 -14.791 -9.024 -0.920 1.00 1.00 H new ATOM 0 HB3 LEU A 214 -14.495 -7.300 -1.027 1.00 1.00 H new ATOM 0 HG LEU A 214 -13.096 -7.760 -3.092 1.00 1.00 H new ATOM 0 HD11 LEU A 214 -13.487 -9.895 -4.254 1.00 1.00 H new ATOM 0 HD12 LEU A 214 -12.655 -10.132 -2.699 1.00 1.00 H new ATOM 0 HD13 LEU A 214 -14.391 -10.493 -2.843 1.00 1.00 H new ATOM 0 HD21 LEU A 214 -15.068 -8.018 -4.550 1.00 1.00 H new ATOM 0 HD22 LEU A 214 -16.031 -8.540 -3.148 1.00 1.00 H new ATOM 0 HD23 LEU A 214 -15.381 -6.885 -3.214 1.00 1.00 H new ATOM 203 N TRP A 215 -10.675 -7.640 -1.338 1.00 1.00 N ATOM 204 CA TRP A 215 -9.669 -6.645 -1.680 1.00 1.00 C ATOM 205 C TRP A 215 -10.113 -5.812 -2.876 1.00 1.00 C ATOM 206 O TRP A 215 -10.832 -6.298 -3.756 1.00 1.00 O ATOM 207 CB TRP A 215 -8.332 -7.329 -1.974 1.00 1.00 C ATOM 208 CG TRP A 215 -7.638 -7.796 -0.734 1.00 1.00 C ATOM 209 CD1 TRP A 215 -7.690 -9.041 -0.176 1.00 1.00 C ATOM 210 CD2 TRP A 215 -6.793 -7.012 0.109 1.00 1.00 C ATOM 211 NE1 TRP A 215 -6.938 -9.071 0.974 1.00 1.00 N ATOM 212 CE2 TRP A 215 -6.375 -7.837 1.167 1.00 1.00 C ATOM 213 CE3 TRP A 215 -6.356 -5.687 0.075 1.00 1.00 C ATOM 214 CZ2 TRP A 215 -5.533 -7.381 2.177 1.00 1.00 C ATOM 215 CZ3 TRP A 215 -5.521 -5.238 1.077 1.00 1.00 C ATOM 216 CH2 TRP A 215 -5.120 -6.082 2.117 1.00 1.00 C ATOM 0 H TRP A 215 -10.419 -8.597 -1.580 1.00 1.00 H new ATOM 0 HA TRP A 215 -9.544 -5.976 -0.829 1.00 1.00 H new ATOM 0 HB2 TRP A 215 -8.501 -8.180 -2.633 1.00 1.00 H new ATOM 0 HB3 TRP A 215 -7.684 -6.635 -2.509 1.00 1.00 H new ATOM 0 HD1 TRP A 215 -8.241 -9.878 -0.579 1.00 1.00 H new ATOM 0 HE1 TRP A 215 -6.819 -9.880 1.584 1.00 1.00 H new ATOM 0 HE3 TRP A 215 -6.666 -5.026 -0.721 1.00 1.00 H new ATOM 0 HZ2 TRP A 215 -5.218 -8.032 2.979 1.00 1.00 H new ATOM 0 HZ3 TRP A 215 -5.171 -4.217 1.058 1.00 1.00 H new ATOM 0 HH2 TRP A 215 -4.470 -5.698 2.889 1.00 1.00 H new ATOM 227 N ARG A 216 -9.704 -4.553 -2.900 1.00 1.00 N ATOM 228 CA ARG A 216 -10.063 -3.667 -3.991 1.00 1.00 C ATOM 229 C ARG A 216 -8.821 -3.114 -4.671 1.00 1.00 C ATOM 230 O ARG A 216 -8.081 -2.318 -4.094 1.00 1.00 O ATOM 231 CB ARG A 216 -10.943 -2.521 -3.496 1.00 1.00 C ATOM 232 CG ARG A 216 -12.237 -2.387 -4.277 1.00 1.00 C ATOM 233 CD ARG A 216 -13.091 -3.637 -4.144 1.00 1.00 C ATOM 234 NE ARG A 216 -13.898 -3.884 -5.336 1.00 1.00 N ATOM 235 CZ ARG A 216 -13.954 -5.055 -5.968 1.00 1.00 C ATOM 236 NH1 ARG A 216 -13.188 -6.066 -5.574 1.00 1.00 N ATOM 237 NH2 ARG A 216 -14.768 -5.209 -7.002 1.00 1.00 N ATOM 0 H ARG A 216 -9.125 -4.125 -2.178 1.00 1.00 H new ATOM 0 HA ARG A 216 -10.628 -4.249 -4.719 1.00 1.00 H new ATOM 0 HB2 ARG A 216 -11.175 -2.678 -2.443 1.00 1.00 H new ATOM 0 HB3 ARG A 216 -10.386 -1.587 -3.564 1.00 1.00 H new ATOM 0 HG2 ARG A 216 -12.794 -1.522 -3.917 1.00 1.00 H new ATOM 0 HG3 ARG A 216 -12.013 -2.206 -5.328 1.00 1.00 H new ATOM 0 HD2 ARG A 216 -12.447 -4.497 -3.959 1.00 1.00 H new ATOM 0 HD3 ARG A 216 -13.746 -3.537 -3.278 1.00 1.00 H new ATOM 0 HE ARG A 216 -14.453 -3.113 -5.707 1.00 1.00 H new ATOM 0 HH11 ARG A 216 -12.553 -5.947 -4.784 1.00 1.00 H new ATOM 0 HH12 ARG A 216 -13.234 -6.961 -6.061 1.00 1.00 H new ATOM 0 HH21 ARG A 216 -15.350 -4.431 -7.313 1.00 1.00 H new ATOM 0 HH22 ARG A 216 -14.812 -6.105 -7.487 1.00 1.00 H new ATOM 251 N ARG A 217 -8.593 -3.555 -5.897 1.00 1.00 N ATOM 252 CA ARG A 217 -7.453 -3.099 -6.672 1.00 1.00 C ATOM 253 C ARG A 217 -7.843 -1.880 -7.492 1.00 1.00 C ATOM 254 O ARG A 217 -8.690 -1.969 -8.380 1.00 1.00 O ATOM 255 CB ARG A 217 -6.949 -4.209 -7.600 1.00 1.00 C ATOM 256 CG ARG A 217 -5.615 -3.891 -8.263 1.00 1.00 C ATOM 257 CD ARG A 217 -5.266 -4.903 -9.346 1.00 1.00 C ATOM 258 NE ARG A 217 -3.830 -4.913 -9.640 1.00 1.00 N ATOM 259 CZ ARG A 217 -3.256 -4.170 -10.588 1.00 1.00 C ATOM 260 NH1 ARG A 217 -4.001 -3.422 -11.399 1.00 1.00 N ATOM 261 NH2 ARG A 217 -1.936 -4.189 -10.740 1.00 1.00 N ATOM 0 H ARG A 217 -9.186 -4.231 -6.378 1.00 1.00 H new ATOM 0 HA ARG A 217 -6.651 -2.833 -5.984 1.00 1.00 H new ATOM 0 HB2 ARG A 217 -6.850 -5.132 -7.028 1.00 1.00 H new ATOM 0 HB3 ARG A 217 -7.695 -4.391 -8.373 1.00 1.00 H new ATOM 0 HG2 ARG A 217 -5.654 -2.892 -8.698 1.00 1.00 H new ATOM 0 HG3 ARG A 217 -4.828 -3.880 -7.509 1.00 1.00 H new ATOM 0 HD2 ARG A 217 -5.579 -5.898 -9.028 1.00 1.00 H new ATOM 0 HD3 ARG A 217 -5.821 -4.669 -10.254 1.00 1.00 H new ATOM 0 HE ARG A 217 -3.232 -5.526 -9.085 1.00 1.00 H new ATOM 0 HH11 ARG A 217 -5.016 -3.415 -11.297 1.00 1.00 H new ATOM 0 HH12 ARG A 217 -3.557 -2.856 -12.122 1.00 1.00 H new ATOM 0 HH21 ARG A 217 -1.361 -4.772 -10.132 1.00 1.00 H new ATOM 0 HH22 ARG A 217 -1.498 -3.621 -11.465 1.00 1.00 H new ATOM 275 N ASP A 218 -7.246 -0.744 -7.171 1.00 1.00 N ATOM 276 CA ASP A 218 -7.527 0.493 -7.885 1.00 1.00 C ATOM 277 C ASP A 218 -6.900 0.448 -9.280 1.00 1.00 C ATOM 278 O ASP A 218 -6.077 -0.424 -9.565 1.00 1.00 O ATOM 279 CB ASP A 218 -7.017 1.699 -7.078 1.00 1.00 C ATOM 280 CG ASP A 218 -5.880 2.445 -7.751 1.00 1.00 C ATOM 281 OD1 ASP A 218 -4.719 2.025 -7.606 1.00 1.00 O ATOM 282 OD2 ASP A 218 -6.144 3.463 -8.428 1.00 1.00 O ATOM 0 H ASP A 218 -6.562 -0.652 -6.420 1.00 1.00 H new ATOM 0 HA ASP A 218 -8.605 0.603 -8.004 1.00 1.00 H new ATOM 0 HB2 ASP A 218 -7.844 2.389 -6.911 1.00 1.00 H new ATOM 0 HB3 ASP A 218 -6.685 1.355 -6.098 1.00 1.00 H new ATOM 287 N ARG A 219 -7.297 1.384 -10.139 1.00 1.00 N ATOM 288 CA ARG A 219 -6.795 1.457 -11.510 1.00 1.00 C ATOM 289 C ARG A 219 -5.265 1.541 -11.553 1.00 1.00 C ATOM 290 O ARG A 219 -4.634 1.015 -12.472 1.00 1.00 O ATOM 291 CB ARG A 219 -7.411 2.668 -12.219 1.00 1.00 C ATOM 292 CG ARG A 219 -6.943 2.847 -13.652 1.00 1.00 C ATOM 293 CD ARG A 219 -7.261 1.629 -14.500 1.00 1.00 C ATOM 294 NE ARG A 219 -6.699 1.745 -15.842 1.00 1.00 N ATOM 295 CZ ARG A 219 -5.587 1.133 -16.239 1.00 1.00 C ATOM 296 NH1 ARG A 219 -4.894 0.384 -15.387 1.00 1.00 N ATOM 297 NH2 ARG A 219 -5.150 1.292 -17.481 1.00 1.00 N ATOM 0 H ARG A 219 -7.973 2.111 -9.906 1.00 1.00 H new ATOM 0 HA ARG A 219 -7.086 0.541 -12.025 1.00 1.00 H new ATOM 0 HB2 ARG A 219 -8.496 2.567 -12.212 1.00 1.00 H new ATOM 0 HB3 ARG A 219 -7.171 3.568 -11.654 1.00 1.00 H new ATOM 0 HG2 ARG A 219 -7.420 3.727 -14.084 1.00 1.00 H new ATOM 0 HG3 ARG A 219 -5.868 3.029 -13.664 1.00 1.00 H new ATOM 0 HD2 ARG A 219 -6.867 0.735 -14.016 1.00 1.00 H new ATOM 0 HD3 ARG A 219 -8.342 1.504 -14.567 1.00 1.00 H new ATOM 0 HE ARG A 219 -7.189 2.332 -16.517 1.00 1.00 H new ATOM 0 HH11 ARG A 219 -5.215 0.277 -14.425 1.00 1.00 H new ATOM 0 HH12 ARG A 219 -4.042 -0.084 -15.696 1.00 1.00 H new ATOM 0 HH21 ARG A 219 -5.667 1.884 -18.132 1.00 1.00 H new ATOM 0 HH22 ARG A 219 -4.297 0.823 -17.786 1.00 1.00 H new ATOM 311 N THR A 220 -4.680 2.184 -10.551 1.00 1.00 N ATOM 312 CA THR A 220 -3.233 2.349 -10.472 1.00 1.00 C ATOM 313 C THR A 220 -2.549 1.082 -9.951 1.00 1.00 C ATOM 314 O THR A 220 -1.320 0.993 -9.929 1.00 1.00 O ATOM 315 CB THR A 220 -2.872 3.533 -9.551 1.00 1.00 C ATOM 316 OG1 THR A 220 -3.928 4.503 -9.571 1.00 1.00 O ATOM 317 CG2 THR A 220 -1.573 4.192 -9.989 1.00 1.00 C ATOM 0 H THR A 220 -5.191 2.604 -9.774 1.00 1.00 H new ATOM 0 HA THR A 220 -2.877 2.547 -11.483 1.00 1.00 H new ATOM 0 HB THR A 220 -2.741 3.148 -8.540 1.00 1.00 H new ATOM 0 HG1 THR A 220 -4.606 4.262 -8.906 1.00 1.00 H new ATOM 0 HG21 THR A 220 -1.344 5.023 -9.322 1.00 1.00 H new ATOM 0 HG22 THR A 220 -0.764 3.462 -9.951 1.00 1.00 H new ATOM 0 HG23 THR A 220 -1.679 4.564 -11.008 1.00 1.00 H new ATOM 325 N GLY A 221 -3.344 0.105 -9.531 1.00 1.00 N ATOM 326 CA GLY A 221 -2.793 -1.136 -9.027 1.00 1.00 C ATOM 327 C GLY A 221 -2.687 -1.154 -7.517 1.00 1.00 C ATOM 328 O GLY A 221 -2.074 -2.051 -6.940 1.00 1.00 O ATOM 0 H GLY A 221 -4.363 0.152 -9.531 1.00 1.00 H new ATOM 0 HA2 GLY A 221 -3.419 -1.966 -9.354 1.00 1.00 H new ATOM 0 HA3 GLY A 221 -1.805 -1.293 -9.459 1.00 1.00 H new ATOM 332 N HIS A 222 -3.284 -0.164 -6.869 1.00 1.00 N ATOM 333 CA HIS A 222 -3.241 -0.076 -5.416 1.00 1.00 C ATOM 334 C HIS A 222 -4.252 -1.028 -4.792 1.00 1.00 C ATOM 335 O HIS A 222 -5.459 -0.843 -4.943 1.00 1.00 O ATOM 336 CB HIS A 222 -3.531 1.357 -4.951 1.00 1.00 C ATOM 337 CG HIS A 222 -2.351 2.272 -5.014 1.00 1.00 C ATOM 338 ND1 HIS A 222 -1.959 3.061 -3.955 1.00 1.00 N ATOM 339 CD2 HIS A 222 -1.472 2.522 -6.012 1.00 1.00 C ATOM 340 CE1 HIS A 222 -0.888 3.749 -4.296 1.00 1.00 C ATOM 341 NE2 HIS A 222 -0.572 3.445 -5.539 1.00 1.00 N ATOM 0 H HIS A 222 -3.802 0.587 -7.324 1.00 1.00 H new ATOM 0 HA HIS A 222 -2.239 -0.358 -5.093 1.00 1.00 H new ATOM 0 HB2 HIS A 222 -4.331 1.771 -5.565 1.00 1.00 H new ATOM 0 HB3 HIS A 222 -3.899 1.327 -3.925 1.00 1.00 H new ATOM 0 HD2 HIS A 222 -1.477 2.078 -6.997 1.00 1.00 H new ATOM 0 HE1 HIS A 222 -0.358 4.445 -3.663 1.00 1.00 H new ATOM 0 HE2 HIS A 222 0.213 3.832 -6.064 1.00 1.00 H new ATOM 350 N TYR A 223 -3.755 -2.061 -4.123 1.00 1.00 N ATOM 351 CA TYR A 223 -4.619 -3.021 -3.449 1.00 1.00 C ATOM 352 C TYR A 223 -5.010 -2.461 -2.094 1.00 1.00 C ATOM 353 O TYR A 223 -4.238 -2.529 -1.145 1.00 1.00 O ATOM 354 CB TYR A 223 -3.915 -4.370 -3.262 1.00 1.00 C ATOM 355 CG TYR A 223 -3.510 -5.045 -4.548 1.00 1.00 C ATOM 356 CD1 TYR A 223 -2.288 -4.765 -5.144 1.00 1.00 C ATOM 357 CD2 TYR A 223 -4.344 -5.971 -5.161 1.00 1.00 C ATOM 358 CE1 TYR A 223 -1.908 -5.385 -6.315 1.00 1.00 C ATOM 359 CE2 TYR A 223 -3.969 -6.598 -6.333 1.00 1.00 C ATOM 360 CZ TYR A 223 -2.751 -6.302 -6.905 1.00 1.00 C ATOM 361 OH TYR A 223 -2.372 -6.923 -8.073 1.00 1.00 O ATOM 0 H TYR A 223 -2.758 -2.255 -4.033 1.00 1.00 H new ATOM 0 HA TYR A 223 -5.504 -3.186 -4.064 1.00 1.00 H new ATOM 0 HB2 TYR A 223 -3.026 -4.220 -2.649 1.00 1.00 H new ATOM 0 HB3 TYR A 223 -4.576 -5.037 -2.708 1.00 1.00 H new ATOM 0 HD1 TYR A 223 -1.624 -4.049 -4.682 1.00 1.00 H new ATOM 0 HD2 TYR A 223 -5.299 -6.204 -4.715 1.00 1.00 H new ATOM 0 HE1 TYR A 223 -0.955 -5.154 -6.768 1.00 1.00 H new ATOM 0 HE2 TYR A 223 -4.627 -7.317 -6.799 1.00 1.00 H new ATOM 0 HH TYR A 223 -3.077 -7.541 -8.358 1.00 1.00 H new ATOM 371 N LEU A 224 -6.184 -1.871 -2.022 1.00 1.00 N ATOM 372 CA LEU A 224 -6.658 -1.289 -0.781 1.00 1.00 C ATOM 373 C LEU A 224 -7.625 -2.242 -0.093 1.00 1.00 C ATOM 374 O LEU A 224 -8.447 -2.888 -0.754 1.00 1.00 O ATOM 375 CB LEU A 224 -7.345 0.053 -1.053 1.00 1.00 C ATOM 376 CG LEU A 224 -6.641 0.964 -2.069 1.00 1.00 C ATOM 377 CD1 LEU A 224 -7.666 1.638 -2.969 1.00 1.00 C ATOM 378 CD2 LEU A 224 -5.785 2.012 -1.363 1.00 1.00 C ATOM 0 H LEU A 224 -6.829 -1.781 -2.807 1.00 1.00 H new ATOM 0 HA LEU A 224 -5.804 -1.118 -0.125 1.00 1.00 H new ATOM 0 HB2 LEU A 224 -8.357 -0.142 -1.407 1.00 1.00 H new ATOM 0 HB3 LEU A 224 -7.436 0.592 -0.110 1.00 1.00 H new ATOM 0 HG LEU A 224 -5.984 0.347 -2.682 1.00 1.00 H new ATOM 0 HD11 LEU A 224 -7.154 2.281 -3.685 1.00 1.00 H new ATOM 0 HD12 LEU A 224 -8.235 0.878 -3.505 1.00 1.00 H new ATOM 0 HD13 LEU A 224 -8.344 2.238 -2.362 1.00 1.00 H new ATOM 0 HD21 LEU A 224 -5.298 2.644 -2.105 1.00 1.00 H new ATOM 0 HD22 LEU A 224 -6.417 2.627 -0.722 1.00 1.00 H new ATOM 0 HD23 LEU A 224 -5.028 1.515 -0.756 1.00 1.00 H new ATOM 390 N CYS A 225 -7.507 -2.341 1.225 1.00 1.00 N ATOM 391 CA CYS A 225 -8.369 -3.202 2.018 1.00 1.00 C ATOM 392 C CYS A 225 -9.821 -2.736 1.937 1.00 1.00 C ATOM 393 O CYS A 225 -10.655 -3.323 1.243 1.00 1.00 O ATOM 394 CB CYS A 225 -7.904 -3.178 3.477 1.00 1.00 C ATOM 395 SG CYS A 225 -7.612 -1.496 4.139 1.00 1.00 S ATOM 0 H CYS A 225 -6.814 -1.829 1.770 1.00 1.00 H new ATOM 0 HA CYS A 225 -8.309 -4.217 1.624 1.00 1.00 H new ATOM 0 HB2 CYS A 225 -8.652 -3.675 4.094 1.00 1.00 H new ATOM 0 HB3 CYS A 225 -6.984 -3.756 3.564 1.00 1.00 H new ATOM 0 HG CYS A 225 -7.225 -1.578 5.377 1.00 1.00 H new ATOM 400 N ASN A 226 -10.093 -1.684 2.681 1.00 1.00 N ATOM 401 CA ASN A 226 -11.405 -1.068 2.749 1.00 1.00 C ATOM 402 C ASN A 226 -11.286 0.230 3.528 1.00 1.00 C ATOM 403 O ASN A 226 -11.938 1.225 3.216 1.00 1.00 O ATOM 404 CB ASN A 226 -12.420 -1.999 3.422 1.00 1.00 C ATOM 405 CG ASN A 226 -13.855 -1.547 3.214 1.00 1.00 C ATOM 406 OD1 ASN A 226 -14.400 -0.772 4.002 1.00 1.00 O ATOM 407 ND2 ASN A 226 -14.483 -2.041 2.158 1.00 1.00 N ATOM 0 H ASN A 226 -9.397 -1.223 3.267 1.00 1.00 H new ATOM 0 HA ASN A 226 -11.763 -0.870 1.739 1.00 1.00 H new ATOM 0 HB2 ASN A 226 -12.300 -3.008 3.027 1.00 1.00 H new ATOM 0 HB3 ASN A 226 -12.210 -2.048 4.490 1.00 1.00 H new ATOM 0 HD21 ASN A 226 -15.452 -1.782 1.974 1.00 1.00 H new ATOM 0 HD22 ASN A 226 -13.997 -2.680 1.529 1.00 1.00 H new ATOM 414 N ALA A 227 -10.414 0.212 4.529 1.00 1.00 N ATOM 415 CA ALA A 227 -10.173 1.382 5.357 1.00 1.00 C ATOM 416 C ALA A 227 -9.317 2.380 4.593 1.00 1.00 C ATOM 417 O ALA A 227 -9.654 3.563 4.497 1.00 1.00 O ATOM 418 CB ALA A 227 -9.504 0.986 6.666 1.00 1.00 C ATOM 0 H ALA A 227 -9.861 -0.606 4.786 1.00 1.00 H new ATOM 0 HA ALA A 227 -11.128 1.849 5.599 1.00 1.00 H new ATOM 0 HB1 ALA A 227 -9.332 1.876 7.271 1.00 1.00 H new ATOM 0 HB2 ALA A 227 -10.149 0.296 7.210 1.00 1.00 H new ATOM 0 HB3 ALA A 227 -8.551 0.501 6.455 1.00 1.00 H new ATOM 424 N CYS A 228 -8.217 1.886 4.027 1.00 1.00 N ATOM 425 CA CYS A 228 -7.316 2.716 3.244 1.00 1.00 C ATOM 426 C CYS A 228 -7.954 3.035 1.895 1.00 1.00 C ATOM 427 O CYS A 228 -7.647 4.049 1.264 1.00 1.00 O ATOM 428 CB CYS A 228 -5.981 1.995 3.053 1.00 1.00 C ATOM 429 SG CYS A 228 -5.341 1.218 4.574 1.00 1.00 S ATOM 0 H CYS A 228 -7.931 0.910 4.099 1.00 1.00 H new ATOM 0 HA CYS A 228 -7.131 3.651 3.772 1.00 1.00 H new ATOM 0 HB2 CYS A 228 -6.099 1.229 2.286 1.00 1.00 H new ATOM 0 HB3 CYS A 228 -5.244 2.707 2.682 1.00 1.00 H new ATOM 0 HG CYS A 228 -4.863 0.042 4.293 1.00 1.00 H new ATOM 434 N GLY A 229 -8.868 2.166 1.475 1.00 1.00 N ATOM 435 CA GLY A 229 -9.559 2.354 0.216 1.00 1.00 C ATOM 436 C GLY A 229 -10.400 3.614 0.207 1.00 1.00 C ATOM 437 O GLY A 229 -10.573 4.246 -0.836 1.00 1.00 O ATOM 0 H GLY A 229 -9.143 1.329 1.990 1.00 1.00 H new ATOM 0 HA2 GLY A 229 -8.830 2.400 -0.593 1.00 1.00 H new ATOM 0 HA3 GLY A 229 -10.197 1.492 0.022 1.00 1.00 H new ATOM 441 N LEU A 230 -10.911 3.987 1.376 1.00 1.00 N ATOM 442 CA LEU A 230 -11.734 5.182 1.515 1.00 1.00 C ATOM 443 C LEU A 230 -10.942 6.432 1.144 1.00 1.00 C ATOM 444 O LEU A 230 -11.491 7.394 0.606 1.00 1.00 O ATOM 445 CB LEU A 230 -12.250 5.304 2.949 1.00 1.00 C ATOM 446 CG LEU A 230 -13.227 4.210 3.386 1.00 1.00 C ATOM 447 CD1 LEU A 230 -13.490 4.298 4.881 1.00 1.00 C ATOM 448 CD2 LEU A 230 -14.533 4.316 2.606 1.00 1.00 C ATOM 0 H LEU A 230 -10.768 3.474 2.246 1.00 1.00 H new ATOM 0 HA LEU A 230 -12.581 5.092 0.835 1.00 1.00 H new ATOM 0 HB2 LEU A 230 -11.396 5.298 3.627 1.00 1.00 H new ATOM 0 HB3 LEU A 230 -12.739 6.272 3.061 1.00 1.00 H new ATOM 0 HG LEU A 230 -12.777 3.241 3.172 1.00 1.00 H new ATOM 0 HD11 LEU A 230 -14.187 3.513 5.175 1.00 1.00 H new ATOM 0 HD12 LEU A 230 -12.553 4.173 5.423 1.00 1.00 H new ATOM 0 HD13 LEU A 230 -13.919 5.271 5.118 1.00 1.00 H new ATOM 0 HD21 LEU A 230 -15.215 3.530 2.930 1.00 1.00 H new ATOM 0 HD22 LEU A 230 -14.988 5.290 2.789 1.00 1.00 H new ATOM 0 HD23 LEU A 230 -14.331 4.204 1.541 1.00 1.00 H new ATOM 460 N TYR A 231 -9.647 6.405 1.416 1.00 1.00 N ATOM 461 CA TYR A 231 -8.786 7.536 1.112 1.00 1.00 C ATOM 462 C TYR A 231 -8.610 7.685 -0.393 1.00 1.00 C ATOM 463 O TYR A 231 -8.794 8.766 -0.945 1.00 1.00 O ATOM 464 CB TYR A 231 -7.421 7.367 1.786 1.00 1.00 C ATOM 465 CG TYR A 231 -7.497 7.281 3.292 1.00 1.00 C ATOM 466 CD1 TYR A 231 -7.845 8.387 4.053 1.00 1.00 C ATOM 467 CD2 TYR A 231 -7.228 6.089 3.952 1.00 1.00 C ATOM 468 CE1 TYR A 231 -7.920 8.310 5.428 1.00 1.00 C ATOM 469 CE2 TYR A 231 -7.303 6.003 5.327 1.00 1.00 C ATOM 470 CZ TYR A 231 -7.650 7.115 6.061 1.00 1.00 C ATOM 471 OH TYR A 231 -7.735 7.032 7.435 1.00 1.00 O ATOM 0 H TYR A 231 -9.170 5.613 1.846 1.00 1.00 H new ATOM 0 HA TYR A 231 -9.259 8.438 1.499 1.00 1.00 H new ATOM 0 HB2 TYR A 231 -6.945 6.465 1.402 1.00 1.00 H new ATOM 0 HB3 TYR A 231 -6.782 8.206 1.510 1.00 1.00 H new ATOM 0 HD1 TYR A 231 -8.061 9.324 3.561 1.00 1.00 H new ATOM 0 HD2 TYR A 231 -6.956 5.215 3.379 1.00 1.00 H new ATOM 0 HE1 TYR A 231 -8.189 9.182 6.006 1.00 1.00 H new ATOM 0 HE2 TYR A 231 -7.091 5.068 5.825 1.00 1.00 H new ATOM 0 HH TYR A 231 -7.515 6.121 7.722 1.00 1.00 H new ATOM 481 N HIS A 232 -8.282 6.587 -1.057 1.00 1.00 N ATOM 482 CA HIS A 232 -8.062 6.600 -2.501 1.00 1.00 C ATOM 483 C HIS A 232 -9.360 6.814 -3.281 1.00 1.00 C ATOM 484 O HIS A 232 -9.382 7.547 -4.267 1.00 1.00 O ATOM 485 CB HIS A 232 -7.405 5.286 -2.946 1.00 1.00 C ATOM 486 CG HIS A 232 -6.860 5.310 -4.347 1.00 1.00 C ATOM 487 ND1 HIS A 232 -5.516 5.274 -4.625 1.00 1.00 N ATOM 488 CD2 HIS A 232 -7.484 5.362 -5.550 1.00 1.00 C ATOM 489 CE1 HIS A 232 -5.332 5.306 -5.928 1.00 1.00 C ATOM 490 NE2 HIS A 232 -6.510 5.358 -6.519 1.00 1.00 N ATOM 0 H HIS A 232 -8.161 5.673 -0.621 1.00 1.00 H new ATOM 0 HA HIS A 232 -7.401 7.439 -2.719 1.00 1.00 H new ATOM 0 HB2 HIS A 232 -6.594 5.047 -2.257 1.00 1.00 H new ATOM 0 HB3 HIS A 232 -8.137 4.482 -2.867 1.00 1.00 H new ATOM 0 HD2 HIS A 232 -8.551 5.400 -5.716 1.00 1.00 H new ATOM 0 HE1 HIS A 232 -4.376 5.292 -6.430 1.00 1.00 H new ATOM 0 HE2 HIS A 232 -6.671 5.390 -7.526 1.00 1.00 H new ATOM 499 N LYS A 233 -10.436 6.183 -2.838 1.00 1.00 N ATOM 500 CA LYS A 233 -11.710 6.276 -3.539 1.00 1.00 C ATOM 501 C LYS A 233 -12.539 7.488 -3.111 1.00 1.00 C ATOM 502 O LYS A 233 -12.655 8.453 -3.860 1.00 1.00 O ATOM 503 CB LYS A 233 -12.511 4.992 -3.324 1.00 1.00 C ATOM 504 CG LYS A 233 -13.749 4.892 -4.199 1.00 1.00 C ATOM 505 CD LYS A 233 -14.361 3.506 -4.122 1.00 1.00 C ATOM 506 CE LYS A 233 -15.618 3.400 -4.966 1.00 1.00 C ATOM 507 NZ LYS A 233 -16.009 1.985 -5.192 1.00 1.00 N ATOM 0 H LYS A 233 -10.454 5.603 -1.999 1.00 1.00 H new ATOM 0 HA LYS A 233 -11.485 6.407 -4.597 1.00 1.00 H new ATOM 0 HB2 LYS A 233 -11.867 4.135 -3.521 1.00 1.00 H new ATOM 0 HB3 LYS A 233 -12.810 4.932 -2.278 1.00 1.00 H new ATOM 0 HG2 LYS A 233 -14.482 5.635 -3.884 1.00 1.00 H new ATOM 0 HG3 LYS A 233 -13.487 5.121 -5.232 1.00 1.00 H new ATOM 0 HD2 LYS A 233 -13.633 2.768 -4.459 1.00 1.00 H new ATOM 0 HD3 LYS A 233 -14.598 3.270 -3.085 1.00 1.00 H new ATOM 0 HE2 LYS A 233 -16.434 3.929 -4.473 1.00 1.00 H new ATOM 0 HE3 LYS A 233 -15.455 3.890 -5.926 1.00 1.00 H new ATOM 0 HZ1 LYS A 233 -16.871 1.952 -5.772 1.00 1.00 H new ATOM 0 HZ2 LYS A 233 -15.241 1.487 -5.685 1.00 1.00 H new ATOM 0 HZ3 LYS A 233 -16.189 1.524 -4.277 1.00 1.00 H new ATOM 521 N MET A 234 -13.104 7.428 -1.909 1.00 1.00 N ATOM 522 CA MET A 234 -13.960 8.499 -1.395 1.00 1.00 C ATOM 523 C MET A 234 -13.267 9.859 -1.410 1.00 1.00 C ATOM 524 O MET A 234 -13.758 10.803 -2.026 1.00 1.00 O ATOM 525 CB MET A 234 -14.421 8.170 0.028 1.00 1.00 C ATOM 526 CG MET A 234 -15.226 9.281 0.688 1.00 1.00 C ATOM 527 SD MET A 234 -15.488 8.992 2.448 1.00 1.00 S ATOM 528 CE MET A 234 -16.350 10.492 2.916 1.00 1.00 C ATOM 0 H MET A 234 -12.985 6.645 -1.267 1.00 1.00 H new ATOM 0 HA MET A 234 -14.822 8.564 -2.059 1.00 1.00 H new ATOM 0 HB2 MET A 234 -15.025 7.263 0.003 1.00 1.00 H new ATOM 0 HB3 MET A 234 -13.547 7.954 0.642 1.00 1.00 H new ATOM 0 HG2 MET A 234 -14.708 10.230 0.552 1.00 1.00 H new ATOM 0 HG3 MET A 234 -16.192 9.371 0.190 1.00 1.00 H new ATOM 0 HE1 MET A 234 -16.581 10.462 3.981 1.00 1.00 H new ATOM 0 HE2 MET A 234 -15.718 11.355 2.706 1.00 1.00 H new ATOM 0 HE3 MET A 234 -17.276 10.573 2.346 1.00 1.00 H new ATOM 538 N ASN A 235 -12.125 9.952 -0.745 1.00 1.00 N ATOM 539 CA ASN A 235 -11.397 11.216 -0.673 1.00 1.00 C ATOM 540 C ASN A 235 -10.754 11.570 -2.012 1.00 1.00 C ATOM 541 O ASN A 235 -10.935 12.674 -2.522 1.00 1.00 O ATOM 542 CB ASN A 235 -10.331 11.167 0.422 1.00 1.00 C ATOM 543 CG ASN A 235 -9.969 12.550 0.927 1.00 1.00 C ATOM 544 OD1 ASN A 235 -10.784 13.473 0.885 1.00 1.00 O ATOM 545 ND2 ASN A 235 -8.749 12.705 1.413 1.00 1.00 N ATOM 0 H ASN A 235 -11.683 9.177 -0.251 1.00 1.00 H new ATOM 0 HA ASN A 235 -12.121 11.993 -0.428 1.00 1.00 H new ATOM 0 HB2 ASN A 235 -10.693 10.561 1.253 1.00 1.00 H new ATOM 0 HB3 ASN A 235 -9.437 10.677 0.036 1.00 1.00 H new ATOM 0 HD21 ASN A 235 -8.454 13.614 1.770 1.00 1.00 H new ATOM 0 HD22 ASN A 235 -8.103 11.916 1.431 1.00 1.00 H new ATOM 552 N GLY A 236 -10.006 10.634 -2.581 1.00 1.00 N ATOM 553 CA GLY A 236 -9.356 10.879 -3.857 1.00 1.00 C ATOM 554 C GLY A 236 -7.846 10.882 -3.750 1.00 1.00 C ATOM 555 O GLY A 236 -7.162 11.555 -4.521 1.00 1.00 O ATOM 0 H GLY A 236 -9.837 9.710 -2.184 1.00 1.00 H new ATOM 0 HA2 GLY A 236 -9.664 10.115 -4.570 1.00 1.00 H new ATOM 0 HA3 GLY A 236 -9.690 11.838 -4.253 1.00 1.00 H new ATOM 559 N GLN A 237 -7.328 10.145 -2.780 1.00 1.00 N ATOM 560 CA GLN A 237 -5.889 10.045 -2.570 1.00 1.00 C ATOM 561 C GLN A 237 -5.309 8.911 -3.413 1.00 1.00 C ATOM 562 O GLN A 237 -5.975 8.392 -4.312 1.00 1.00 O ATOM 563 CB GLN A 237 -5.589 9.806 -1.088 1.00 1.00 C ATOM 564 CG GLN A 237 -5.643 11.065 -0.240 1.00 1.00 C ATOM 565 CD GLN A 237 -5.788 10.762 1.239 1.00 1.00 C ATOM 566 OE1 GLN A 237 -6.899 10.707 1.765 1.00 1.00 O ATOM 567 NE2 GLN A 237 -4.669 10.560 1.919 1.00 1.00 N ATOM 0 H GLN A 237 -7.886 9.603 -2.120 1.00 1.00 H new ATOM 0 HA GLN A 237 -5.424 10.982 -2.877 1.00 1.00 H new ATOM 0 HB2 GLN A 237 -6.304 9.083 -0.694 1.00 1.00 H new ATOM 0 HB3 GLN A 237 -4.599 9.359 -0.995 1.00 1.00 H new ATOM 0 HG2 GLN A 237 -4.736 11.647 -0.401 1.00 1.00 H new ATOM 0 HG3 GLN A 237 -6.480 11.683 -0.565 1.00 1.00 H new ATOM 0 HE21 GLN A 237 -3.767 10.615 1.445 1.00 1.00 H new ATOM 0 HE22 GLN A 237 -4.709 10.350 2.916 1.00 1.00 H new ATOM 576 N ASN A 238 -4.077 8.521 -3.119 1.00 1.00 N ATOM 577 CA ASN A 238 -3.422 7.450 -3.856 1.00 1.00 C ATOM 578 C ASN A 238 -2.966 6.353 -2.905 1.00 1.00 C ATOM 579 O ASN A 238 -2.066 6.619 -2.090 1.00 1.00 O ATOM 580 CB ASN A 238 -2.228 7.986 -4.646 1.00 1.00 C ATOM 581 CG ASN A 238 -1.586 6.914 -5.508 1.00 1.00 C ATOM 582 OD1 ASN A 238 -2.268 6.044 -6.056 1.00 1.00 O ATOM 583 ND2 ASN A 238 -0.270 6.967 -5.633 1.00 1.00 N ATOM 0 H ASN A 238 -3.511 8.930 -2.376 1.00 1.00 H new ATOM 0 HA ASN A 238 -4.143 7.032 -4.558 1.00 1.00 H new ATOM 0 HB2 ASN A 238 -2.554 8.812 -5.278 1.00 1.00 H new ATOM 0 HB3 ASN A 238 -1.487 8.387 -3.955 1.00 1.00 H new ATOM 0 HD21 ASN A 238 0.217 6.272 -6.199 1.00 1.00 H new ATOM 0 HD22 ASN A 238 0.258 7.703 -5.163 1.00 1.00 H new ATOM 591 N GLY B 1 25.248 -2.078 -5.215 1.00 1.00 N ATOM 592 CA GLY B 1 24.309 -2.441 -6.303 1.00 1.00 C ATOM 593 C GLY B 1 22.958 -1.783 -6.131 1.00 1.00 C ATOM 594 O GLY B 1 22.818 -0.843 -5.349 1.00 1.00 O ATOM 0 H1 GLY B 1 26.125 -1.698 -5.625 1.00 1.00 H new ATOM 0 H2 GLY B 1 24.811 -1.358 -4.605 1.00 1.00 H new ATOM 0 H3 GLY B 1 25.468 -2.923 -4.650 1.00 1.00 H new ATOM 0 HA2 GLY B 1 24.735 -2.147 -7.262 1.00 1.00 H new ATOM 0 HA3 GLY B 1 24.184 -3.524 -6.328 1.00 1.00 H new ATOM 600 N SER B 2 21.967 -2.280 -6.868 1.00 1.00 N ATOM 601 CA SER B 2 20.603 -1.760 -6.816 1.00 1.00 C ATOM 602 C SER B 2 20.555 -0.280 -7.204 1.00 1.00 C ATOM 603 O SER B 2 19.785 0.501 -6.641 1.00 1.00 O ATOM 604 CB SER B 2 20.005 -1.982 -5.422 1.00 1.00 C ATOM 605 OG SER B 2 20.095 -3.350 -5.048 1.00 1.00 O ATOM 0 H SER B 2 22.088 -3.056 -7.519 1.00 1.00 H new ATOM 0 HA SER B 2 20.002 -2.306 -7.543 1.00 1.00 H new ATOM 0 HB2 SER B 2 20.531 -1.365 -4.693 1.00 1.00 H new ATOM 0 HB3 SER B 2 18.962 -1.666 -5.414 1.00 1.00 H new ATOM 0 HG SER B 2 19.710 -3.471 -4.155 1.00 1.00 H new ATOM 611 N LEU B 3 21.368 0.095 -8.185 1.00 1.00 N ATOM 612 CA LEU B 3 21.418 1.473 -8.651 1.00 1.00 C ATOM 613 C LEU B 3 20.136 1.826 -9.386 1.00 1.00 C ATOM 614 O LEU B 3 19.838 1.249 -10.434 1.00 1.00 O ATOM 615 CB LEU B 3 22.621 1.687 -9.568 1.00 1.00 C ATOM 616 CG LEU B 3 23.980 1.399 -8.929 1.00 1.00 C ATOM 617 CD1 LEU B 3 25.086 1.483 -9.968 1.00 1.00 C ATOM 618 CD2 LEU B 3 24.246 2.370 -7.788 1.00 1.00 C ATOM 0 H LEU B 3 22.002 -0.538 -8.673 1.00 1.00 H new ATOM 0 HA LEU B 3 21.521 2.125 -7.784 1.00 1.00 H new ATOM 0 HB2 LEU B 3 22.507 1.051 -10.446 1.00 1.00 H new ATOM 0 HB3 LEU B 3 22.613 2.719 -9.919 1.00 1.00 H new ATOM 0 HG LEU B 3 23.964 0.387 -8.525 1.00 1.00 H new ATOM 0 HD11 LEU B 3 26.046 1.275 -9.495 1.00 1.00 H new ATOM 0 HD12 LEU B 3 24.903 0.751 -10.754 1.00 1.00 H new ATOM 0 HD13 LEU B 3 25.104 2.483 -10.401 1.00 1.00 H new ATOM 0 HD21 LEU B 3 25.217 2.152 -7.344 1.00 1.00 H new ATOM 0 HD22 LEU B 3 24.243 3.391 -8.171 1.00 1.00 H new ATOM 0 HD23 LEU B 3 23.469 2.264 -7.031 1.00 1.00 H new ATOM 630 N LEU B 4 19.373 2.753 -8.810 1.00 1.00 N ATOM 631 CA LEU B 4 18.107 3.207 -9.392 1.00 1.00 C ATOM 632 C LEU B 4 17.095 2.067 -9.467 1.00 1.00 C ATOM 633 O LEU B 4 16.142 2.116 -10.245 1.00 1.00 O ATOM 634 CB LEU B 4 18.329 3.799 -10.792 1.00 1.00 C ATOM 635 CG LEU B 4 18.035 5.295 -10.923 1.00 1.00 C ATOM 636 CD1 LEU B 4 16.570 5.583 -10.638 1.00 1.00 C ATOM 637 CD2 LEU B 4 18.923 6.097 -9.987 1.00 1.00 C ATOM 0 H LEU B 4 19.612 3.210 -7.930 1.00 1.00 H new ATOM 0 HA LEU B 4 17.707 3.984 -8.740 1.00 1.00 H new ATOM 0 HB2 LEU B 4 19.364 3.622 -11.083 1.00 1.00 H new ATOM 0 HB3 LEU B 4 17.701 3.259 -11.501 1.00 1.00 H new ATOM 0 HG LEU B 4 18.251 5.595 -11.948 1.00 1.00 H new ATOM 0 HD11 LEU B 4 16.383 6.652 -10.737 1.00 1.00 H new ATOM 0 HD12 LEU B 4 15.947 5.039 -11.348 1.00 1.00 H new ATOM 0 HD13 LEU B 4 16.327 5.265 -9.624 1.00 1.00 H new ATOM 0 HD21 LEU B 4 18.700 7.158 -10.094 1.00 1.00 H new ATOM 0 HD22 LEU B 4 18.738 5.789 -8.958 1.00 1.00 H new ATOM 0 HD23 LEU B 4 19.969 5.919 -10.237 1.00 1.00 H new ATOM 649 N LYS B 5 17.296 1.046 -8.648 1.00 1.00 N ATOM 650 CA LYS B 5 16.402 -0.099 -8.638 1.00 1.00 C ATOM 651 C LYS B 5 15.836 -0.346 -7.246 1.00 1.00 C ATOM 652 O LYS B 5 16.583 -0.591 -6.295 1.00 1.00 O ATOM 653 CB LYS B 5 17.127 -1.352 -9.143 1.00 1.00 C ATOM 654 CG LYS B 5 17.387 -1.359 -10.644 1.00 1.00 C ATOM 655 CD LYS B 5 16.160 -1.800 -11.434 1.00 1.00 C ATOM 656 CE LYS B 5 15.102 -0.708 -11.500 1.00 1.00 C ATOM 657 NZ LYS B 5 13.912 -1.122 -12.290 1.00 1.00 N ATOM 0 H LYS B 5 18.068 0.988 -7.984 1.00 1.00 H new ATOM 0 HA LYS B 5 15.571 0.123 -9.308 1.00 1.00 H new ATOM 0 HB2 LYS B 5 18.079 -1.443 -8.620 1.00 1.00 H new ATOM 0 HB3 LYS B 5 16.535 -2.230 -8.884 1.00 1.00 H new ATOM 0 HG2 LYS B 5 17.685 -0.361 -10.965 1.00 1.00 H new ATOM 0 HG3 LYS B 5 18.220 -2.027 -10.865 1.00 1.00 H new ATOM 0 HD2 LYS B 5 16.460 -2.076 -12.445 1.00 1.00 H new ATOM 0 HD3 LYS B 5 15.733 -2.691 -10.973 1.00 1.00 H new ATOM 0 HE2 LYS B 5 14.791 -0.445 -10.489 1.00 1.00 H new ATOM 0 HE3 LYS B 5 15.536 0.189 -11.943 1.00 1.00 H new ATOM 0 HZ1 LYS B 5 13.219 -0.346 -12.307 1.00 1.00 H new ATOM 0 HZ2 LYS B 5 14.202 -1.348 -13.263 1.00 1.00 H new ATOM 0 HZ3 LYS B 5 13.481 -1.962 -11.854 1.00 1.00 H new ATOM 671 N PRO B 6 14.502 -0.275 -7.110 1.00 1.00 N ATOM 672 CA PRO B 6 13.825 -0.505 -5.836 1.00 1.00 C ATOM 673 C PRO B 6 13.778 -1.991 -5.483 1.00 1.00 C ATOM 674 O PRO B 6 12.721 -2.626 -5.526 1.00 1.00 O ATOM 675 CB PRO B 6 12.418 0.045 -6.080 1.00 1.00 C ATOM 676 CG PRO B 6 12.200 -0.108 -7.545 1.00 1.00 C ATOM 677 CD PRO B 6 13.551 0.046 -8.194 1.00 1.00 C ATOM 0 HA PRO B 6 14.334 -0.028 -4.998 1.00 1.00 H new ATOM 0 HB2 PRO B 6 11.672 -0.508 -5.509 1.00 1.00 H new ATOM 0 HB3 PRO B 6 12.343 1.089 -5.776 1.00 1.00 H new ATOM 0 HG2 PRO B 6 11.768 -1.082 -7.774 1.00 1.00 H new ATOM 0 HG3 PRO B 6 11.503 0.644 -7.915 1.00 1.00 H new ATOM 0 HD2 PRO B 6 13.667 -0.630 -9.041 1.00 1.00 H new ATOM 0 HD3 PRO B 6 13.701 1.058 -8.571 1.00 1.00 H new ATOM 685 N ALA B 7 14.937 -2.539 -5.143 1.00 1.00 N ATOM 686 CA ALA B 7 15.050 -3.947 -4.788 1.00 1.00 C ATOM 687 C ALA B 7 14.761 -4.167 -3.306 1.00 1.00 C ATOM 688 O ALA B 7 15.193 -5.156 -2.712 1.00 1.00 O ATOM 689 CB ALA B 7 16.436 -4.460 -5.143 1.00 1.00 C ATOM 0 H ALA B 7 15.818 -2.026 -5.106 1.00 1.00 H new ATOM 0 HA ALA B 7 14.307 -4.506 -5.357 1.00 1.00 H new ATOM 0 HB1 ALA B 7 16.514 -5.514 -4.875 1.00 1.00 H new ATOM 0 HB2 ALA B 7 16.603 -4.345 -6.214 1.00 1.00 H new ATOM 0 HB3 ALA B 7 17.186 -3.890 -4.595 1.00 1.00 H new ATOM 695 N ARG B 8 14.041 -3.232 -2.704 1.00 1.00 N ATOM 696 CA ARG B 8 13.686 -3.328 -1.296 1.00 1.00 C ATOM 697 C ARG B 8 12.179 -3.191 -1.133 1.00 1.00 C ATOM 698 O ARG B 8 11.640 -2.088 -1.189 1.00 1.00 O ATOM 699 CB ARG B 8 14.404 -2.252 -0.474 1.00 1.00 C ATOM 700 CG ARG B 8 15.920 -2.351 -0.523 1.00 1.00 C ATOM 701 CD ARG B 8 16.414 -3.707 -0.037 1.00 1.00 C ATOM 702 NE ARG B 8 17.870 -3.809 -0.095 1.00 1.00 N ATOM 703 CZ ARG B 8 18.533 -4.570 -0.963 1.00 1.00 C ATOM 704 NH1 ARG B 8 17.876 -5.303 -1.853 1.00 1.00 N ATOM 705 NH2 ARG B 8 19.856 -4.594 -0.932 1.00 1.00 N ATOM 0 H ARG B 8 13.690 -2.396 -3.171 1.00 1.00 H new ATOM 0 HA ARG B 8 14.002 -4.304 -0.927 1.00 1.00 H new ATOM 0 HB2 ARG B 8 14.102 -1.269 -0.836 1.00 1.00 H new ATOM 0 HB3 ARG B 8 14.078 -2.323 0.564 1.00 1.00 H new ATOM 0 HG2 ARG B 8 16.262 -2.184 -1.544 1.00 1.00 H new ATOM 0 HG3 ARG B 8 16.356 -1.564 0.092 1.00 1.00 H new ATOM 0 HD2 ARG B 8 16.079 -3.869 0.988 1.00 1.00 H new ATOM 0 HD3 ARG B 8 15.970 -4.495 -0.646 1.00 1.00 H new ATOM 0 HE ARG B 8 18.414 -3.262 0.573 1.00 1.00 H new ATOM 0 HH11 ARG B 8 16.856 -5.286 -1.875 1.00 1.00 H new ATOM 0 HH12 ARG B 8 18.391 -5.884 -2.515 1.00 1.00 H new ATOM 0 HH21 ARG B 8 20.360 -4.032 -0.246 1.00 1.00 H new ATOM 0 HH22 ARG B 8 20.371 -5.175 -1.594 1.00 1.00 H new ATOM 719 N PHE B 9 11.503 -4.315 -0.953 1.00 1.00 N ATOM 720 CA PHE B 9 10.054 -4.317 -0.785 1.00 1.00 C ATOM 721 C PHE B 9 9.687 -4.350 0.694 1.00 1.00 C ATOM 722 O PHE B 9 8.543 -4.605 1.059 1.00 1.00 O ATOM 723 CB PHE B 9 9.440 -5.522 -1.510 1.00 1.00 C ATOM 724 CG PHE B 9 10.218 -6.804 -1.334 1.00 1.00 C ATOM 725 CD1 PHE B 9 10.192 -7.491 -0.130 1.00 1.00 C ATOM 726 CD2 PHE B 9 10.975 -7.319 -2.376 1.00 1.00 C ATOM 727 CE1 PHE B 9 10.904 -8.665 0.032 1.00 1.00 C ATOM 728 CE2 PHE B 9 11.689 -8.492 -2.220 1.00 1.00 C ATOM 729 CZ PHE B 9 11.654 -9.165 -1.015 1.00 1.00 C ATOM 0 H PHE B 9 11.933 -5.239 -0.919 1.00 1.00 H new ATOM 0 HA PHE B 9 9.653 -3.401 -1.220 1.00 1.00 H new ATOM 0 HB2 PHE B 9 8.423 -5.673 -1.147 1.00 1.00 H new ATOM 0 HB3 PHE B 9 9.368 -5.295 -2.574 1.00 1.00 H new ATOM 0 HD1 PHE B 9 9.608 -7.104 0.692 1.00 1.00 H new ATOM 0 HD2 PHE B 9 11.007 -6.797 -3.321 1.00 1.00 H new ATOM 0 HE1 PHE B 9 10.874 -9.190 0.975 1.00 1.00 H new ATOM 0 HE2 PHE B 9 12.274 -8.882 -3.040 1.00 1.00 H new ATOM 0 HZ PHE B 9 12.212 -10.081 -0.891 1.00 1.00 H new ATOM 739 N MET B 10 10.666 -4.081 1.540 1.00 1.00 N ATOM 740 CA MET B 10 10.457 -4.102 2.976 1.00 1.00 C ATOM 741 C MET B 10 11.101 -2.893 3.632 1.00 1.00 C ATOM 742 O MET B 10 12.278 -2.615 3.410 1.00 1.00 O ATOM 743 CB MET B 10 11.041 -5.392 3.564 1.00 1.00 C ATOM 744 CG MET B 10 11.178 -5.382 5.079 1.00 1.00 C ATOM 745 SD MET B 10 12.136 -6.784 5.687 1.00 1.00 S ATOM 746 CE MET B 10 12.178 -6.425 7.442 1.00 1.00 C ATOM 0 H MET B 10 11.617 -3.845 1.255 1.00 1.00 H new ATOM 0 HA MET B 10 9.385 -4.067 3.173 1.00 1.00 H new ATOM 0 HB2 MET B 10 10.407 -6.230 3.274 1.00 1.00 H new ATOM 0 HB3 MET B 10 12.022 -5.567 3.123 1.00 1.00 H new ATOM 0 HG2 MET B 10 11.656 -4.454 5.393 1.00 1.00 H new ATOM 0 HG3 MET B 10 10.187 -5.398 5.532 1.00 1.00 H new ATOM 0 HE1 MET B 10 12.737 -7.204 7.959 1.00 1.00 H new ATOM 0 HE2 MET B 10 12.662 -5.462 7.605 1.00 1.00 H new ATOM 0 HE3 MET B 10 11.160 -6.390 7.831 1.00 1.00 H new ATOM 756 N CYS B 11 10.318 -2.161 4.408 1.00 1.00 N ATOM 757 CA CYS B 11 10.828 -1.003 5.114 1.00 1.00 C ATOM 758 C CYS B 11 11.415 -1.451 6.444 1.00 1.00 C ATOM 759 O CYS B 11 10.767 -2.181 7.193 1.00 1.00 O ATOM 760 CB CYS B 11 9.719 0.023 5.346 1.00 1.00 C ATOM 761 SG CYS B 11 8.889 0.597 3.829 1.00 1.00 S ATOM 0 H CYS B 11 9.328 -2.350 4.563 1.00 1.00 H new ATOM 0 HA CYS B 11 11.603 -0.530 4.511 1.00 1.00 H new ATOM 0 HB2 CYS B 11 8.973 -0.412 6.011 1.00 1.00 H new ATOM 0 HB3 CYS B 11 10.142 0.885 5.862 1.00 1.00 H new ATOM 0 HG CYS B 11 8.190 1.661 4.093 1.00 1.00 H new ATOM 766 N LEU B 12 12.638 -1.031 6.722 1.00 1.00 N ATOM 767 CA LEU B 12 13.310 -1.405 7.961 1.00 1.00 C ATOM 768 C LEU B 12 12.633 -0.794 9.199 1.00 1.00 C ATOM 769 O LEU B 12 12.324 -1.522 10.144 1.00 1.00 O ATOM 770 CB LEU B 12 14.792 -1.020 7.914 1.00 1.00 C ATOM 771 CG LEU B 12 15.594 -1.656 6.774 1.00 1.00 C ATOM 772 CD1 LEU B 12 17.072 -1.344 6.924 1.00 1.00 C ATOM 773 CD2 LEU B 12 15.372 -3.161 6.731 1.00 1.00 C ATOM 0 H LEU B 12 13.188 -0.431 6.108 1.00 1.00 H new ATOM 0 HA LEU B 12 13.231 -2.488 8.051 1.00 1.00 H new ATOM 0 HB2 LEU B 12 14.867 0.064 7.829 1.00 1.00 H new ATOM 0 HB3 LEU B 12 15.254 -1.298 8.861 1.00 1.00 H new ATOM 0 HG LEU B 12 15.243 -1.231 5.834 1.00 1.00 H new ATOM 0 HD11 LEU B 12 17.626 -1.804 6.106 1.00 1.00 H new ATOM 0 HD12 LEU B 12 17.220 -0.264 6.901 1.00 1.00 H new ATOM 0 HD13 LEU B 12 17.433 -1.739 7.873 1.00 1.00 H new ATOM 0 HD21 LEU B 12 15.951 -3.591 5.914 1.00 1.00 H new ATOM 0 HD22 LEU B 12 15.692 -3.603 7.675 1.00 1.00 H new ATOM 0 HD23 LEU B 12 14.314 -3.368 6.574 1.00 1.00 H new ATOM 785 N PRO B 13 12.395 0.542 9.233 1.00 1.00 N ATOM 786 CA PRO B 13 11.746 1.190 10.382 1.00 1.00 C ATOM 787 C PRO B 13 10.366 0.607 10.670 1.00 1.00 C ATOM 788 O PRO B 13 10.052 0.256 11.810 1.00 1.00 O ATOM 789 CB PRO B 13 11.626 2.656 9.957 1.00 1.00 C ATOM 790 CG PRO B 13 12.664 2.837 8.907 1.00 1.00 C ATOM 791 CD PRO B 13 12.752 1.524 8.189 1.00 1.00 C ATOM 0 HA PRO B 13 12.317 1.048 11.300 1.00 1.00 H new ATOM 0 HB2 PRO B 13 10.631 2.875 9.570 1.00 1.00 H new ATOM 0 HB3 PRO B 13 11.795 3.327 10.799 1.00 1.00 H new ATOM 0 HG2 PRO B 13 12.391 3.640 8.222 1.00 1.00 H new ATOM 0 HG3 PRO B 13 13.624 3.107 9.348 1.00 1.00 H new ATOM 0 HD2 PRO B 13 12.065 1.481 7.344 1.00 1.00 H new ATOM 0 HD3 PRO B 13 13.753 1.347 7.795 1.00 1.00 H new ATOM 799 N CYS B 14 9.547 0.507 9.634 1.00 1.00 N ATOM 800 CA CYS B 14 8.211 -0.040 9.762 1.00 1.00 C ATOM 801 C CYS B 14 8.267 -1.532 10.090 1.00 1.00 C ATOM 802 O CYS B 14 7.519 -2.022 10.936 1.00 1.00 O ATOM 803 CB CYS B 14 7.463 0.197 8.459 1.00 1.00 C ATOM 804 SG CYS B 14 8.084 1.641 7.533 1.00 1.00 S ATOM 0 H CYS B 14 9.790 0.801 8.688 1.00 1.00 H new ATOM 0 HA CYS B 14 7.688 0.456 10.580 1.00 1.00 H new ATOM 0 HB2 CYS B 14 7.544 -0.692 7.833 1.00 1.00 H new ATOM 0 HB3 CYS B 14 6.404 0.339 8.675 1.00 1.00 H new ATOM 0 HG CYS B 14 7.197 2.591 7.564 1.00 1.00 H new ATOM 809 N GLY B 15 9.168 -2.241 9.419 1.00 1.00 N ATOM 810 CA GLY B 15 9.325 -3.664 9.651 1.00 1.00 C ATOM 811 C GLY B 15 8.332 -4.496 8.870 1.00 1.00 C ATOM 812 O GLY B 15 8.147 -5.681 9.149 1.00 1.00 O ATOM 0 H GLY B 15 9.795 -1.853 8.715 1.00 1.00 H new ATOM 0 HA2 GLY B 15 10.337 -3.963 9.378 1.00 1.00 H new ATOM 0 HA3 GLY B 15 9.208 -3.870 10.715 1.00 1.00 H new ATOM 816 N ILE B 16 7.701 -3.887 7.877 1.00 1.00 N ATOM 817 CA ILE B 16 6.716 -4.589 7.069 1.00 1.00 C ATOM 818 C ILE B 16 7.283 -4.936 5.700 1.00 1.00 C ATOM 819 O ILE B 16 7.840 -4.079 5.011 1.00 1.00 O ATOM 820 CB ILE B 16 5.423 -3.764 6.885 1.00 1.00 C ATOM 821 CG1 ILE B 16 5.075 -3.012 8.172 1.00 1.00 C ATOM 822 CG2 ILE B 16 4.277 -4.675 6.473 1.00 1.00 C ATOM 823 CD1 ILE B 16 3.793 -2.209 8.088 1.00 1.00 C ATOM 0 H ILE B 16 7.852 -2.914 7.613 1.00 1.00 H new ATOM 0 HA ILE B 16 6.469 -5.504 7.607 1.00 1.00 H new ATOM 0 HB ILE B 16 5.588 -3.030 6.097 1.00 1.00 H new ATOM 0 HG12 ILE B 16 4.990 -3.729 8.988 1.00 1.00 H new ATOM 0 HG13 ILE B 16 5.897 -2.341 8.422 1.00 1.00 H new ATOM 0 HG21 ILE B 16 3.370 -4.084 6.346 1.00 1.00 H new ATOM 0 HG22 ILE B 16 4.524 -5.168 5.533 1.00 1.00 H new ATOM 0 HG23 ILE B 16 4.115 -5.427 7.245 1.00 1.00 H new ATOM 0 HD11 ILE B 16 3.616 -1.706 9.039 1.00 1.00 H new ATOM 0 HD12 ILE B 16 3.880 -1.466 7.295 1.00 1.00 H new ATOM 0 HD13 ILE B 16 2.959 -2.876 7.870 1.00 1.00 H new ATOM 835 N ALA B 17 7.152 -6.199 5.322 1.00 1.00 N ATOM 836 CA ALA B 17 7.636 -6.669 4.035 1.00 1.00 C ATOM 837 C ALA B 17 6.468 -6.867 3.077 1.00 1.00 C ATOM 838 O ALA B 17 5.565 -7.657 3.342 1.00 1.00 O ATOM 839 CB ALA B 17 8.418 -7.964 4.199 1.00 1.00 C ATOM 0 H ALA B 17 6.711 -6.920 5.893 1.00 1.00 H new ATOM 0 HA ALA B 17 8.306 -5.917 3.618 1.00 1.00 H new ATOM 0 HB1 ALA B 17 8.773 -8.301 3.225 1.00 1.00 H new ATOM 0 HB2 ALA B 17 9.271 -7.793 4.856 1.00 1.00 H new ATOM 0 HB3 ALA B 17 7.772 -8.727 4.633 1.00 1.00 H new ATOM 845 N PHE B 18 6.488 -6.140 1.974 1.00 1.00 N ATOM 846 CA PHE B 18 5.431 -6.224 0.978 1.00 1.00 C ATOM 847 C PHE B 18 5.890 -7.048 -0.216 1.00 1.00 C ATOM 848 O PHE B 18 7.015 -7.549 -0.243 1.00 1.00 O ATOM 849 CB PHE B 18 5.025 -4.820 0.518 1.00 1.00 C ATOM 850 CG PHE B 18 4.321 -4.023 1.578 1.00 1.00 C ATOM 851 CD1 PHE B 18 5.041 -3.317 2.528 1.00 1.00 C ATOM 852 CD2 PHE B 18 2.937 -3.985 1.628 1.00 1.00 C ATOM 853 CE1 PHE B 18 4.394 -2.588 3.506 1.00 1.00 C ATOM 854 CE2 PHE B 18 2.286 -3.258 2.604 1.00 1.00 C ATOM 855 CZ PHE B 18 3.014 -2.560 3.543 1.00 1.00 C ATOM 0 H PHE B 18 7.230 -5.480 1.743 1.00 1.00 H new ATOM 0 HA PHE B 18 4.568 -6.713 1.430 1.00 1.00 H new ATOM 0 HB2 PHE B 18 5.916 -4.279 0.199 1.00 1.00 H new ATOM 0 HB3 PHE B 18 4.375 -4.905 -0.353 1.00 1.00 H new ATOM 0 HD1 PHE B 18 6.121 -3.337 2.503 1.00 1.00 H new ATOM 0 HD2 PHE B 18 2.361 -4.530 0.895 1.00 1.00 H new ATOM 0 HE1 PHE B 18 4.966 -2.041 4.241 1.00 1.00 H new ATOM 0 HE2 PHE B 18 1.207 -3.236 2.632 1.00 1.00 H new ATOM 0 HZ PHE B 18 2.505 -1.991 4.307 1.00 1.00 H new ATOM 865 N SER B 19 5.013 -7.190 -1.194 1.00 1.00 N ATOM 866 CA SER B 19 5.322 -7.940 -2.398 1.00 1.00 C ATOM 867 C SER B 19 4.973 -7.111 -3.631 1.00 1.00 C ATOM 868 O SER B 19 5.641 -7.197 -4.665 1.00 1.00 O ATOM 869 CB SER B 19 4.550 -9.260 -2.414 1.00 1.00 C ATOM 870 OG SER B 19 3.868 -9.466 -1.184 1.00 1.00 O ATOM 0 H SER B 19 4.074 -6.792 -1.177 1.00 1.00 H new ATOM 0 HA SER B 19 6.389 -8.162 -2.410 1.00 1.00 H new ATOM 0 HB2 SER B 19 3.833 -9.256 -3.235 1.00 1.00 H new ATOM 0 HB3 SER B 19 5.238 -10.086 -2.595 1.00 1.00 H new ATOM 0 HG SER B 19 3.794 -10.427 -1.008 1.00 1.00 H new ATOM 876 N SER B 20 3.930 -6.301 -3.506 1.00 1.00 N ATOM 877 CA SER B 20 3.484 -5.455 -4.595 1.00 1.00 C ATOM 878 C SER B 20 4.103 -4.063 -4.478 1.00 1.00 C ATOM 879 O SER B 20 4.061 -3.441 -3.419 1.00 1.00 O ATOM 880 CB SER B 20 1.956 -5.355 -4.580 1.00 1.00 C ATOM 881 OG SER B 20 1.363 -6.625 -4.350 1.00 1.00 O ATOM 0 H SER B 20 3.377 -6.215 -2.654 1.00 1.00 H new ATOM 0 HA SER B 20 3.805 -5.897 -5.538 1.00 1.00 H new ATOM 0 HB2 SER B 20 1.642 -4.657 -3.804 1.00 1.00 H new ATOM 0 HB3 SER B 20 1.605 -4.953 -5.531 1.00 1.00 H new ATOM 0 HG SER B 20 1.262 -6.769 -3.386 1.00 1.00 H new ATOM 887 N PRO B 21 4.713 -3.564 -5.557 1.00 1.00 N ATOM 888 CA PRO B 21 5.322 -2.234 -5.557 1.00 1.00 C ATOM 889 C PRO B 21 4.269 -1.128 -5.612 1.00 1.00 C ATOM 890 O PRO B 21 4.499 -0.007 -5.158 1.00 1.00 O ATOM 891 CB PRO B 21 6.166 -2.233 -6.831 1.00 1.00 C ATOM 892 CG PRO B 21 5.499 -3.213 -7.736 1.00 1.00 C ATOM 893 CD PRO B 21 4.881 -4.259 -6.846 1.00 1.00 C ATOM 0 HA PRO B 21 5.898 -2.042 -4.652 1.00 1.00 H new ATOM 0 HB2 PRO B 21 6.201 -1.241 -7.281 1.00 1.00 H new ATOM 0 HB3 PRO B 21 7.195 -2.525 -6.623 1.00 1.00 H new ATOM 0 HG2 PRO B 21 4.740 -2.724 -8.346 1.00 1.00 H new ATOM 0 HG3 PRO B 21 6.218 -3.661 -8.421 1.00 1.00 H new ATOM 0 HD2 PRO B 21 3.927 -4.608 -7.241 1.00 1.00 H new ATOM 0 HD3 PRO B 21 5.524 -5.133 -6.749 1.00 1.00 H new ATOM 901 N SER B 22 3.108 -1.467 -6.157 1.00 1.00 N ATOM 902 CA SER B 22 2.007 -0.528 -6.297 1.00 1.00 C ATOM 903 C SER B 22 1.390 -0.172 -4.943 1.00 1.00 C ATOM 904 O SER B 22 0.882 0.932 -4.754 1.00 1.00 O ATOM 905 CB SER B 22 0.953 -1.135 -7.220 1.00 1.00 C ATOM 906 OG SER B 22 1.570 -1.886 -8.255 1.00 1.00 O ATOM 0 H SER B 22 2.905 -2.401 -6.514 1.00 1.00 H new ATOM 0 HA SER B 22 2.391 0.397 -6.727 1.00 1.00 H new ATOM 0 HB2 SER B 22 0.285 -1.777 -6.646 1.00 1.00 H new ATOM 0 HB3 SER B 22 0.341 -0.344 -7.652 1.00 1.00 H new ATOM 0 HG SER B 22 0.881 -2.270 -8.836 1.00 1.00 H new ATOM 912 N THR B 23 1.440 -1.098 -3.997 1.00 1.00 N ATOM 913 CA THR B 23 0.881 -0.855 -2.676 1.00 1.00 C ATOM 914 C THR B 23 1.844 -0.026 -1.831 1.00 1.00 C ATOM 915 O THR B 23 1.433 0.878 -1.102 1.00 1.00 O ATOM 916 CB THR B 23 0.566 -2.182 -1.965 1.00 1.00 C ATOM 917 OG1 THR B 23 1.549 -3.161 -2.314 1.00 1.00 O ATOM 918 CG2 THR B 23 -0.810 -2.689 -2.356 1.00 1.00 C ATOM 0 H THR B 23 1.860 -2.020 -4.118 1.00 1.00 H new ATOM 0 HA THR B 23 -0.048 -0.298 -2.800 1.00 1.00 H new ATOM 0 HB THR B 23 0.582 -2.008 -0.889 1.00 1.00 H new ATOM 0 HG1 THR B 23 1.295 -4.029 -1.936 1.00 1.00 H new ATOM 0 HG21 THR B 23 -1.011 -3.628 -1.841 1.00 1.00 H new ATOM 0 HG22 THR B 23 -1.563 -1.952 -2.075 1.00 1.00 H new ATOM 0 HG23 THR B 23 -0.846 -2.851 -3.433 1.00 1.00 H new ATOM 926 N LEU B 24 3.132 -0.319 -1.974 1.00 1.00 N ATOM 927 CA LEU B 24 4.181 0.381 -1.239 1.00 1.00 C ATOM 928 C LEU B 24 4.206 1.873 -1.582 1.00 1.00 C ATOM 929 O LEU B 24 4.707 2.686 -0.802 1.00 1.00 O ATOM 930 CB LEU B 24 5.543 -0.252 -1.548 1.00 1.00 C ATOM 931 CG LEU B 24 6.689 0.170 -0.623 1.00 1.00 C ATOM 932 CD1 LEU B 24 6.434 -0.317 0.794 1.00 1.00 C ATOM 933 CD2 LEU B 24 8.018 -0.364 -1.139 1.00 1.00 C ATOM 0 H LEU B 24 3.478 -1.046 -2.600 1.00 1.00 H new ATOM 0 HA LEU B 24 3.968 0.287 -0.174 1.00 1.00 H new ATOM 0 HB2 LEU B 24 5.440 -1.336 -1.500 1.00 1.00 H new ATOM 0 HB3 LEU B 24 5.816 -0.003 -2.573 1.00 1.00 H new ATOM 0 HG LEU B 24 6.738 1.259 -0.611 1.00 1.00 H new ATOM 0 HD11 LEU B 24 7.257 -0.009 1.438 1.00 1.00 H new ATOM 0 HD12 LEU B 24 5.503 0.112 1.164 1.00 1.00 H new ATOM 0 HD13 LEU B 24 6.358 -1.404 0.797 1.00 1.00 H new ATOM 0 HD21 LEU B 24 8.820 -0.054 -0.469 1.00 1.00 H new ATOM 0 HD22 LEU B 24 7.981 -1.453 -1.181 1.00 1.00 H new ATOM 0 HD23 LEU B 24 8.206 0.032 -2.137 1.00 1.00 H new ATOM 945 N GLU B 25 3.660 2.225 -2.746 1.00 1.00 N ATOM 946 CA GLU B 25 3.613 3.615 -3.197 1.00 1.00 C ATOM 947 C GLU B 25 2.843 4.494 -2.205 1.00 1.00 C ATOM 948 O GLU B 25 3.194 5.656 -1.993 1.00 1.00 O ATOM 949 CB GLU B 25 2.972 3.698 -4.587 1.00 1.00 C ATOM 950 CG GLU B 25 3.091 5.068 -5.235 1.00 1.00 C ATOM 951 CD GLU B 25 2.465 5.122 -6.615 1.00 1.00 C ATOM 952 OE1 GLU B 25 1.235 4.927 -6.721 1.00 1.00 O ATOM 953 OE2 GLU B 25 3.198 5.366 -7.597 1.00 1.00 O ATOM 0 H GLU B 25 3.241 1.561 -3.397 1.00 1.00 H new ATOM 0 HA GLU B 25 4.636 3.987 -3.253 1.00 1.00 H new ATOM 0 HB2 GLU B 25 3.438 2.957 -5.237 1.00 1.00 H new ATOM 0 HB3 GLU B 25 1.917 3.434 -4.507 1.00 1.00 H new ATOM 0 HG2 GLU B 25 2.613 5.810 -4.595 1.00 1.00 H new ATOM 0 HG3 GLU B 25 4.144 5.340 -5.308 1.00 1.00 H new ATOM 960 N ALA B 26 1.806 3.930 -1.592 1.00 1.00 N ATOM 961 CA ALA B 26 0.998 4.665 -0.624 1.00 1.00 C ATOM 962 C ALA B 26 1.572 4.498 0.776 1.00 1.00 C ATOM 963 O ALA B 26 1.625 5.448 1.559 1.00 1.00 O ATOM 964 CB ALA B 26 -0.445 4.188 -0.665 1.00 1.00 C ATOM 0 H ALA B 26 1.506 2.968 -1.748 1.00 1.00 H new ATOM 0 HA ALA B 26 1.019 5.723 -0.886 1.00 1.00 H new ATOM 0 HB1 ALA B 26 -1.034 4.746 0.063 1.00 1.00 H new ATOM 0 HB2 ALA B 26 -0.853 4.350 -1.663 1.00 1.00 H new ATOM 0 HB3 ALA B 26 -0.484 3.126 -0.425 1.00 1.00 H new ATOM 970 N HIS B 27 1.962 3.268 1.091 1.00 1.00 N ATOM 971 CA HIS B 27 2.559 2.938 2.388 1.00 1.00 C ATOM 972 C HIS B 27 3.707 3.885 2.731 1.00 1.00 C ATOM 973 O HIS B 27 3.790 4.383 3.854 1.00 1.00 O ATOM 974 CB HIS B 27 3.064 1.483 2.389 1.00 1.00 C ATOM 975 CG HIS B 27 3.886 1.113 3.595 1.00 1.00 C ATOM 976 ND1 HIS B 27 5.197 1.357 3.862 1.00 1.00 N flip ATOM 977 CD2 HIS B 27 3.401 0.426 4.689 1.00 1.00 C flip ATOM 978 CE1 HIS B 27 5.520 0.833 5.105 1.00 1.00 C flip ATOM 979 NE2 HIS B 27 4.412 0.284 5.563 1.00 1.00 N flip ATOM 0 H HIS B 27 1.875 2.471 0.460 1.00 1.00 H new ATOM 0 HA HIS B 27 1.785 3.052 3.147 1.00 1.00 H new ATOM 0 HB2 HIS B 27 2.206 0.813 2.329 1.00 1.00 H new ATOM 0 HB3 HIS B 27 3.661 1.317 1.492 1.00 1.00 H new ATOM 0 HD1 HIS B 27 5.842 1.849 3.244 1.00 1.00 H new ATOM 0 HD2 HIS B 27 2.391 0.067 4.819 1.00 1.00 H new ATOM 0 HE1 HIS B 27 6.481 0.868 5.597 1.00 1.00 H new ATOM 987 N GLN B 28 4.571 4.145 1.755 1.00 1.00 N ATOM 988 CA GLN B 28 5.730 5.015 1.947 1.00 1.00 C ATOM 989 C GLN B 28 5.336 6.490 2.036 1.00 1.00 C ATOM 990 O GLN B 28 6.094 7.369 1.627 1.00 1.00 O ATOM 991 CB GLN B 28 6.719 4.807 0.802 1.00 1.00 C ATOM 992 CG GLN B 28 7.665 3.643 1.023 1.00 1.00 C ATOM 993 CD GLN B 28 9.035 4.100 1.476 1.00 1.00 C ATOM 994 OE1 GLN B 28 9.499 5.176 1.095 1.00 1.00 O ATOM 995 NE2 GLN B 28 9.689 3.294 2.296 1.00 1.00 N ATOM 0 H GLN B 28 4.490 3.762 0.813 1.00 1.00 H new ATOM 0 HA GLN B 28 6.194 4.746 2.896 1.00 1.00 H new ATOM 0 HB2 GLN B 28 6.164 4.643 -0.122 1.00 1.00 H new ATOM 0 HB3 GLN B 28 7.302 5.718 0.666 1.00 1.00 H new ATOM 0 HG2 GLN B 28 7.243 2.970 1.769 1.00 1.00 H new ATOM 0 HG3 GLN B 28 7.761 3.074 0.098 1.00 1.00 H new ATOM 0 HE21 GLN B 28 9.268 2.412 2.587 1.00 1.00 H new ATOM 0 HE22 GLN B 28 10.614 3.555 2.637 1.00 1.00 H new ATOM 1004 N ALA B 29 4.162 6.750 2.586 1.00 1.00 N ATOM 1005 CA ALA B 29 3.657 8.102 2.738 1.00 1.00 C ATOM 1006 C ALA B 29 2.696 8.182 3.918 1.00 1.00 C ATOM 1007 O ALA B 29 2.798 9.079 4.758 1.00 1.00 O ATOM 1008 CB ALA B 29 2.966 8.556 1.459 1.00 1.00 C ATOM 0 H ALA B 29 3.533 6.029 2.939 1.00 1.00 H new ATOM 0 HA ALA B 29 4.499 8.766 2.933 1.00 1.00 H new ATOM 0 HB1 ALA B 29 2.592 9.572 1.588 1.00 1.00 H new ATOM 0 HB2 ALA B 29 3.677 8.533 0.633 1.00 1.00 H new ATOM 0 HB3 ALA B 29 2.133 7.888 1.239 1.00 1.00 H new ATOM 1014 N TYR B 30 1.766 7.232 3.979 1.00 1.00 N ATOM 1015 CA TYR B 30 0.777 7.201 5.052 1.00 1.00 C ATOM 1016 C TYR B 30 1.332 6.455 6.266 1.00 1.00 C ATOM 1017 O TYR B 30 0.989 6.768 7.408 1.00 1.00 O ATOM 1018 CB TYR B 30 -0.534 6.515 4.616 1.00 1.00 C ATOM 1019 CG TYR B 30 -1.181 7.005 3.324 1.00 1.00 C ATOM 1020 CD1 TYR B 30 -0.491 7.765 2.390 1.00 1.00 C ATOM 1021 CD2 TYR B 30 -2.498 6.659 3.034 1.00 1.00 C ATOM 1022 CE1 TYR B 30 -1.088 8.164 1.212 1.00 1.00 C ATOM 1023 CE2 TYR B 30 -3.102 7.060 1.859 1.00 1.00 C ATOM 1024 CZ TYR B 30 -2.391 7.811 0.952 1.00 1.00 C ATOM 1025 OH TYR B 30 -2.978 8.201 -0.225 1.00 1.00 O ATOM 0 H TYR B 30 1.677 6.476 3.300 1.00 1.00 H new ATOM 0 HA TYR B 30 0.560 8.238 5.307 1.00 1.00 H new ATOM 0 HB2 TYR B 30 -0.339 5.448 4.512 1.00 1.00 H new ATOM 0 HB3 TYR B 30 -1.259 6.629 5.422 1.00 1.00 H new ATOM 0 HD1 TYR B 30 0.532 8.049 2.589 1.00 1.00 H new ATOM 0 HD2 TYR B 30 -3.058 6.066 3.742 1.00 1.00 H new ATOM 0 HE1 TYR B 30 -0.533 8.752 0.496 1.00 1.00 H new ATOM 0 HE2 TYR B 30 -4.126 6.786 1.653 1.00 1.00 H new ATOM 0 HH TYR B 30 -2.485 7.817 -0.980 1.00 1.00 H new ATOM 1035 N TYR B 31 2.181 5.462 6.008 1.00 1.00 N ATOM 1036 CA TYR B 31 2.765 4.652 7.071 1.00 1.00 C ATOM 1037 C TYR B 31 4.170 5.119 7.412 1.00 1.00 C ATOM 1038 O TYR B 31 4.426 5.538 8.541 1.00 1.00 O ATOM 1039 CB TYR B 31 2.791 3.181 6.667 1.00 1.00 C ATOM 1040 CG TYR B 31 2.309 2.258 7.760 1.00 1.00 C ATOM 1041 CD1 TYR B 31 3.192 1.750 8.702 1.00 1.00 C ATOM 1042 CD2 TYR B 31 0.970 1.900 7.853 1.00 1.00 C ATOM 1043 CE1 TYR B 31 2.755 0.908 9.705 1.00 1.00 C ATOM 1044 CE2 TYR B 31 0.524 1.060 8.855 1.00 1.00 C ATOM 1045 CZ TYR B 31 1.422 0.567 9.778 1.00 1.00 C ATOM 1046 OH TYR B 31 0.986 -0.268 10.783 1.00 1.00 O ATOM 0 H TYR B 31 2.479 5.200 5.069 1.00 1.00 H new ATOM 0 HA TYR B 31 2.141 4.769 7.957 1.00 1.00 H new ATOM 0 HB2 TYR B 31 2.170 3.042 5.782 1.00 1.00 H new ATOM 0 HB3 TYR B 31 3.808 2.905 6.389 1.00 1.00 H new ATOM 0 HD1 TYR B 31 4.237 2.017 8.650 1.00 1.00 H new ATOM 0 HD2 TYR B 31 0.266 2.285 7.130 1.00 1.00 H new ATOM 0 HE1 TYR B 31 3.455 0.518 10.429 1.00 1.00 H new ATOM 0 HE2 TYR B 31 -0.520 0.791 8.915 1.00 1.00 H new ATOM 0 HH TYR B 31 0.020 -0.410 10.695 1.00 1.00 H new ATOM 1056 N CYS B 32 5.086 5.016 6.453 1.00 1.00 N ATOM 1057 CA CYS B 32 6.454 5.455 6.669 1.00 1.00 C ATOM 1058 C CYS B 32 6.458 6.956 6.929 1.00 1.00 C ATOM 1059 O CYS B 32 6.278 7.751 6.002 1.00 1.00 O ATOM 1060 CB CYS B 32 7.326 5.125 5.455 1.00 1.00 C ATOM 1061 SG CYS B 32 7.098 3.442 4.798 1.00 1.00 S ATOM 0 H CYS B 32 4.904 4.634 5.525 1.00 1.00 H new ATOM 0 HA CYS B 32 6.867 4.932 7.532 1.00 1.00 H new ATOM 0 HB2 CYS B 32 7.111 5.843 4.663 1.00 1.00 H new ATOM 0 HB3 CYS B 32 8.373 5.256 5.729 1.00 1.00 H new ATOM 0 HG CYS B 32 7.547 2.576 5.658 1.00 1.00 H new ATOM 1066 N SER B 33 6.641 7.328 8.191 1.00 1.00 N ATOM 1067 CA SER B 33 6.632 8.725 8.593 1.00 1.00 C ATOM 1068 C SER B 33 5.233 9.300 8.365 1.00 1.00 C ATOM 1069 O SER B 33 4.239 8.693 8.772 1.00 1.00 O ATOM 1070 CB SER B 33 7.695 9.518 7.823 1.00 1.00 C ATOM 1071 OG SER B 33 8.982 8.948 7.993 1.00 1.00 O ATOM 0 H SER B 33 6.798 6.673 8.957 1.00 1.00 H new ATOM 0 HA SER B 33 6.878 8.803 9.652 1.00 1.00 H new ATOM 0 HB2 SER B 33 7.441 9.539 6.763 1.00 1.00 H new ATOM 0 HB3 SER B 33 7.703 10.552 8.169 1.00 1.00 H new ATOM 0 HG SER B 33 9.641 9.472 7.491 1.00 1.00 H new ATOM 1077 N HIS B 34 5.147 10.457 7.724 1.00 1.00 N ATOM 1078 CA HIS B 34 3.862 11.075 7.441 1.00 1.00 C ATOM 1079 C HIS B 34 4.031 12.196 6.430 1.00 1.00 C ATOM 1080 O HIS B 34 4.362 13.328 6.789 1.00 1.00 O ATOM 1081 CB HIS B 34 3.224 11.608 8.725 1.00 1.00 C ATOM 1082 CG HIS B 34 1.862 11.049 8.983 1.00 1.00 C ATOM 1083 ND1 HIS B 34 1.635 9.708 9.199 1.00 1.00 N ATOM 1084 CD2 HIS B 34 0.652 11.650 9.046 1.00 1.00 C ATOM 1085 CE1 HIS B 34 0.345 9.507 9.385 1.00 1.00 C ATOM 1086 NE2 HIS B 34 -0.274 10.671 9.299 1.00 1.00 N ATOM 0 H HIS B 34 5.953 10.986 7.390 1.00 1.00 H new ATOM 0 HA HIS B 34 3.200 10.318 7.019 1.00 1.00 H new ATOM 0 HB2 HIS B 34 3.872 11.373 9.569 1.00 1.00 H new ATOM 0 HB3 HIS B 34 3.158 12.694 8.666 1.00 1.00 H new ATOM 0 HD1 HIS B 34 2.353 8.983 9.213 1.00 1.00 H new ATOM 0 HD2 HIS B 34 0.452 12.704 8.920 1.00 1.00 H new ATOM 0 HE1 HIS B 34 -0.125 8.554 9.575 1.00 1.00 H new