USER MOD reduce.3.24.130724 H: found=0, std=0, add=452, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 442 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 70 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 71 THR OG1 : rot 27:sc= 0.157 USER MOD Set 2.1: A 52 CYS SG : rot 128:sc= 0.325 USER MOD Set 2.2: A 54 ASN : amide:sc= -1.62 K(o=2.1,f=-1.3!) USER MOD Set 2.3: A 57 CYS SG : rot 94:sc= 0.411 USER MOD Set 2.4: A 79 CYS SG : rot -57:sc= 1.04 USER MOD Set 2.5: A 82 CYS SG : rot 64:sc= 1.93 USER MOD Set 3.1: A 39 CYS SG : rot 170:sc=-0.000857 USER MOD Set 3.2: A 41 CYS SG : rot -70:sc= -2.35 USER MOD Set 3.3: A 43 GLN : amide:sc= 0.143 X(o=-9.6,f=-9.9) USER MOD Set 3.4: A 46 TYR OH : rot 180:sc= -1.79 USER MOD Set 3.5: A 63 HIS : no HD1:sc= -5.69! C(o=-9.6!,f=-11!) USER MOD Set 3.6: A 66 CYS SG : rot -153:sc= 0.0362 USER MOD Single : A 1 GLY N :NH3+ -120:sc= 0.117 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 15 SER OG : rot 11:sc= 0.0339 USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 THR OG1 : rot 178:sc= 0 USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 42 HIS : no HD1:sc= -0.0705 X(o=-0.07,f=0.0023) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 49 MET CE :methyl -164:sc= -1.84 (180deg=-2.27!) USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 72 LYS NZ :NH3+ -103:sc= 0.959 (180deg=-0.95) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 62.183 65.011 68.132 1.00 0.00 N ATOM 2 CA GLY A 1 61.194 64.720 67.110 1.00 0.00 C ATOM 3 C GLY A 1 61.786 64.713 65.715 1.00 0.00 C ATOM 4 O GLY A 1 62.986 64.922 65.541 1.00 0.00 O ATOM 0 H1 GLY A 1 62.240 64.213 68.797 1.00 0.00 H new ATOM 0 H2 GLY A 1 63.111 65.157 67.686 1.00 0.00 H new ATOM 0 H3 GLY A 1 61.907 65.871 68.647 1.00 0.00 H new ATOM 0 HA2 GLY A 1 60.740 63.750 67.314 1.00 0.00 H new ATOM 0 HA3 GLY A 1 60.396 65.461 67.159 1.00 0.00 H new ATOM 8 N SER A 2 60.942 64.469 64.717 1.00 0.00 N ATOM 9 CA SER A 2 61.390 64.430 63.330 1.00 0.00 C ATOM 10 C SER A 2 60.207 64.260 62.382 1.00 0.00 C ATOM 11 O SER A 2 59.064 64.118 62.817 1.00 0.00 O ATOM 12 CB SER A 2 62.389 63.289 63.126 1.00 0.00 C ATOM 13 OG SER A 2 61.813 62.040 63.468 1.00 0.00 O ATOM 0 H SER A 2 59.945 64.295 64.843 1.00 0.00 H new ATOM 0 HA SER A 2 61.880 65.377 63.106 1.00 0.00 H new ATOM 0 HB2 SER A 2 62.717 63.270 62.087 1.00 0.00 H new ATOM 0 HB3 SER A 2 63.275 63.464 63.736 1.00 0.00 H new ATOM 0 HG SER A 2 62.471 61.327 63.327 1.00 0.00 H new ATOM 19 N SER A 3 60.490 64.276 61.083 1.00 0.00 N ATOM 20 CA SER A 3 59.450 64.128 60.072 1.00 0.00 C ATOM 21 C SER A 3 60.061 63.920 58.690 1.00 0.00 C ATOM 22 O SER A 3 61.281 63.929 58.531 1.00 0.00 O ATOM 23 CB SER A 3 58.542 65.360 60.060 1.00 0.00 C ATOM 24 OG SER A 3 59.231 66.497 59.571 1.00 0.00 O ATOM 0 H SER A 3 61.431 64.390 60.706 1.00 0.00 H new ATOM 0 HA SER A 3 58.856 63.249 60.324 1.00 0.00 H new ATOM 0 HB2 SER A 3 57.668 65.165 59.438 1.00 0.00 H new ATOM 0 HB3 SER A 3 58.178 65.557 61.068 1.00 0.00 H new ATOM 0 HG SER A 3 58.629 67.270 59.572 1.00 0.00 H new ATOM 30 N GLY A 4 59.203 63.732 57.692 1.00 0.00 N ATOM 31 CA GLY A 4 59.676 63.524 56.336 1.00 0.00 C ATOM 32 C GLY A 4 58.542 63.426 55.335 1.00 0.00 C ATOM 33 O GLY A 4 57.372 63.550 55.698 1.00 0.00 O ATOM 0 H GLY A 4 58.189 63.720 57.798 1.00 0.00 H new ATOM 0 HA2 GLY A 4 60.335 64.345 56.054 1.00 0.00 H new ATOM 0 HA3 GLY A 4 60.270 62.611 56.298 1.00 0.00 H new ATOM 37 N SER A 5 58.888 63.205 54.071 1.00 0.00 N ATOM 38 CA SER A 5 57.891 63.096 53.013 1.00 0.00 C ATOM 39 C SER A 5 58.502 62.500 51.749 1.00 0.00 C ATOM 40 O SER A 5 59.704 62.240 51.690 1.00 0.00 O ATOM 41 CB SER A 5 57.291 64.470 52.705 1.00 0.00 C ATOM 42 OG SER A 5 56.000 64.346 52.133 1.00 0.00 O ATOM 0 H SER A 5 59.852 63.098 53.755 1.00 0.00 H new ATOM 0 HA SER A 5 57.100 62.432 53.361 1.00 0.00 H new ATOM 0 HB2 SER A 5 57.231 65.058 53.621 1.00 0.00 H new ATOM 0 HB3 SER A 5 57.945 65.011 52.021 1.00 0.00 H new ATOM 0 HG SER A 5 55.638 65.237 51.947 1.00 0.00 H new ATOM 48 N SER A 6 57.665 62.286 50.738 1.00 0.00 N ATOM 49 CA SER A 6 58.121 61.717 49.476 1.00 0.00 C ATOM 50 C SER A 6 56.999 61.717 48.442 1.00 0.00 C ATOM 51 O SER A 6 55.865 62.089 48.742 1.00 0.00 O ATOM 52 CB SER A 6 58.632 60.290 49.690 1.00 0.00 C ATOM 53 OG SER A 6 57.615 59.459 50.222 1.00 0.00 O ATOM 0 H SER A 6 56.668 62.498 50.769 1.00 0.00 H new ATOM 0 HA SER A 6 58.937 62.336 49.102 1.00 0.00 H new ATOM 0 HB2 SER A 6 58.983 59.880 48.743 1.00 0.00 H new ATOM 0 HB3 SER A 6 59.486 60.304 50.367 1.00 0.00 H new ATOM 0 HG SER A 6 57.966 58.553 50.348 1.00 0.00 H new ATOM 59 N GLY A 7 57.324 61.297 47.224 1.00 0.00 N ATOM 60 CA GLY A 7 56.334 61.257 46.164 1.00 0.00 C ATOM 61 C GLY A 7 56.201 59.879 45.546 1.00 0.00 C ATOM 62 O GLY A 7 55.391 59.067 45.993 1.00 0.00 O ATOM 0 H GLY A 7 58.256 60.983 46.952 1.00 0.00 H new ATOM 0 HA2 GLY A 7 55.368 61.568 46.561 1.00 0.00 H new ATOM 0 HA3 GLY A 7 56.606 61.974 45.390 1.00 0.00 H new ATOM 66 N SER A 8 56.997 59.615 44.515 1.00 0.00 N ATOM 67 CA SER A 8 56.961 58.327 43.832 1.00 0.00 C ATOM 68 C SER A 8 55.667 58.169 43.039 1.00 0.00 C ATOM 69 O SER A 8 54.927 57.198 43.195 1.00 0.00 O ATOM 70 CB SER A 8 57.095 57.186 44.842 1.00 0.00 C ATOM 71 OG SER A 8 57.538 55.997 44.211 1.00 0.00 O ATOM 0 H SER A 8 57.675 60.276 44.134 1.00 0.00 H new ATOM 0 HA SER A 8 57.800 58.289 43.137 1.00 0.00 H new ATOM 0 HB2 SER A 8 57.798 57.470 45.625 1.00 0.00 H new ATOM 0 HB3 SER A 8 56.134 57.009 45.325 1.00 0.00 H new ATOM 0 HG SER A 8 57.617 55.283 44.878 1.00 0.00 H new ATOM 77 N PRO A 9 55.386 59.148 42.166 1.00 0.00 N ATOM 78 CA PRO A 9 54.182 59.142 41.329 1.00 0.00 C ATOM 79 C PRO A 9 54.229 58.062 40.254 1.00 0.00 C ATOM 80 O PRO A 9 55.177 57.279 40.189 1.00 0.00 O ATOM 81 CB PRO A 9 54.187 60.533 40.691 1.00 0.00 C ATOM 82 CG PRO A 9 55.618 60.947 40.693 1.00 0.00 C ATOM 83 CD PRO A 9 56.223 60.336 41.927 1.00 0.00 C ATOM 0 HA PRO A 9 53.284 58.927 41.908 1.00 0.00 H new ATOM 0 HB2 PRO A 9 53.785 60.505 39.678 1.00 0.00 H new ATOM 0 HB3 PRO A 9 53.572 61.231 41.259 1.00 0.00 H new ATOM 0 HG2 PRO A 9 56.127 60.598 39.795 1.00 0.00 H new ATOM 0 HG3 PRO A 9 55.710 62.033 40.710 1.00 0.00 H new ATOM 0 HD2 PRO A 9 57.268 60.067 41.771 1.00 0.00 H new ATOM 0 HD3 PRO A 9 56.194 61.024 42.772 1.00 0.00 H new ATOM 91 N GLU A 10 53.201 58.027 39.412 1.00 0.00 N ATOM 92 CA GLU A 10 53.127 57.042 38.339 1.00 0.00 C ATOM 93 C GLU A 10 52.483 57.642 37.093 1.00 0.00 C ATOM 94 O GLU A 10 52.010 58.779 37.111 1.00 0.00 O ATOM 95 CB GLU A 10 52.333 55.816 38.796 1.00 0.00 C ATOM 96 CG GLU A 10 53.133 54.865 39.671 1.00 0.00 C ATOM 97 CD GLU A 10 52.459 53.516 39.832 1.00 0.00 C ATOM 98 OE1 GLU A 10 51.242 53.491 40.112 1.00 0.00 O ATOM 99 OE2 GLU A 10 53.148 52.486 39.680 1.00 0.00 O ATOM 0 H GLU A 10 52.409 58.668 39.452 1.00 0.00 H new ATOM 0 HA GLU A 10 54.143 56.736 38.091 1.00 0.00 H new ATOM 0 HB2 GLU A 10 51.452 56.148 39.345 1.00 0.00 H new ATOM 0 HB3 GLU A 10 51.977 55.276 37.919 1.00 0.00 H new ATOM 0 HG2 GLU A 10 54.123 54.723 39.237 1.00 0.00 H new ATOM 0 HG3 GLU A 10 53.277 55.315 40.653 1.00 0.00 H new ATOM 106 N TYR A 11 52.469 56.871 36.011 1.00 0.00 N ATOM 107 CA TYR A 11 51.887 57.327 34.755 1.00 0.00 C ATOM 108 C TYR A 11 51.191 56.180 34.029 1.00 0.00 C ATOM 109 O TYR A 11 51.350 55.014 34.390 1.00 0.00 O ATOM 110 CB TYR A 11 52.967 57.933 33.857 1.00 0.00 C ATOM 111 CG TYR A 11 53.285 59.375 34.182 1.00 0.00 C ATOM 112 CD1 TYR A 11 52.302 60.354 34.121 1.00 0.00 C ATOM 113 CD2 TYR A 11 54.570 59.758 34.549 1.00 0.00 C ATOM 114 CE1 TYR A 11 52.588 61.673 34.416 1.00 0.00 C ATOM 115 CE2 TYR A 11 54.865 61.074 34.847 1.00 0.00 C ATOM 116 CZ TYR A 11 53.871 62.028 34.779 1.00 0.00 C ATOM 117 OH TYR A 11 54.160 63.341 35.074 1.00 0.00 O ATOM 0 H TYR A 11 52.854 55.927 35.979 1.00 0.00 H new ATOM 0 HA TYR A 11 51.145 58.091 34.985 1.00 0.00 H new ATOM 0 HB2 TYR A 11 53.877 57.340 33.946 1.00 0.00 H new ATOM 0 HB3 TYR A 11 52.644 57.866 32.818 1.00 0.00 H new ATOM 0 HD1 TYR A 11 51.297 60.080 33.838 1.00 0.00 H new ATOM 0 HD2 TYR A 11 55.351 59.014 34.602 1.00 0.00 H new ATOM 0 HE1 TYR A 11 51.812 62.422 34.363 1.00 0.00 H new ATOM 0 HE2 TYR A 11 55.868 61.355 35.132 1.00 0.00 H new ATOM 0 HH TYR A 11 55.107 63.422 35.312 1.00 0.00 H new ATOM 127 N GLY A 12 50.419 56.519 33.001 1.00 0.00 N ATOM 128 CA GLY A 12 49.711 55.508 32.239 1.00 0.00 C ATOM 129 C GLY A 12 50.042 55.558 30.760 1.00 0.00 C ATOM 130 O GLY A 12 50.986 56.233 30.352 1.00 0.00 O ATOM 0 H GLY A 12 50.271 57.477 32.682 1.00 0.00 H new ATOM 0 HA2 GLY A 12 49.960 54.522 32.631 1.00 0.00 H new ATOM 0 HA3 GLY A 12 48.638 55.642 32.373 1.00 0.00 H new ATOM 134 N MET A 13 49.263 54.842 29.956 1.00 0.00 N ATOM 135 CA MET A 13 49.479 54.807 28.515 1.00 0.00 C ATOM 136 C MET A 13 48.188 54.462 27.779 1.00 0.00 C ATOM 137 O MET A 13 47.286 53.826 28.325 1.00 0.00 O ATOM 138 CB MET A 13 50.567 53.790 28.164 1.00 0.00 C ATOM 139 CG MET A 13 51.957 54.206 28.619 1.00 0.00 C ATOM 140 SD MET A 13 53.266 53.344 27.727 1.00 0.00 S ATOM 141 CE MET A 13 54.053 52.449 29.064 1.00 0.00 C ATOM 0 H MET A 13 48.476 54.278 30.278 1.00 0.00 H new ATOM 0 HA MET A 13 49.803 55.798 28.198 1.00 0.00 H new ATOM 0 HB2 MET A 13 50.317 52.831 28.618 1.00 0.00 H new ATOM 0 HB3 MET A 13 50.577 53.639 27.085 1.00 0.00 H new ATOM 0 HG2 MET A 13 52.074 55.281 28.480 1.00 0.00 H new ATOM 0 HG3 MET A 13 52.060 54.010 29.686 1.00 0.00 H new ATOM 0 HE1 MET A 13 54.886 51.866 28.671 1.00 0.00 H new ATOM 0 HE2 MET A 13 54.424 53.156 29.806 1.00 0.00 H new ATOM 0 HE3 MET A 13 53.329 51.780 29.530 1.00 0.00 H new ATOM 151 N PRO A 14 48.095 54.890 26.512 1.00 0.00 N ATOM 152 CA PRO A 14 46.918 54.637 25.675 1.00 0.00 C ATOM 153 C PRO A 14 46.785 53.167 25.292 1.00 0.00 C ATOM 154 O PRO A 14 47.561 52.325 25.743 1.00 0.00 O ATOM 155 CB PRO A 14 47.176 55.493 24.432 1.00 0.00 C ATOM 156 CG PRO A 14 48.657 55.634 24.370 1.00 0.00 C ATOM 157 CD PRO A 14 49.132 55.654 25.797 1.00 0.00 C ATOM 0 HA PRO A 14 45.990 54.881 26.192 1.00 0.00 H new ATOM 0 HB2 PRO A 14 46.786 55.014 23.534 1.00 0.00 H new ATOM 0 HB3 PRO A 14 46.689 56.465 24.512 1.00 0.00 H new ATOM 0 HG2 PRO A 14 49.105 54.806 23.821 1.00 0.00 H new ATOM 0 HG3 PRO A 14 48.940 56.550 23.852 1.00 0.00 H new ATOM 0 HD2 PRO A 14 50.114 55.193 25.900 1.00 0.00 H new ATOM 0 HD3 PRO A 14 49.216 56.672 26.178 1.00 0.00 H new ATOM 165 N SER A 15 45.796 52.866 24.456 1.00 0.00 N ATOM 166 CA SER A 15 45.559 51.497 24.014 1.00 0.00 C ATOM 167 C SER A 15 45.143 51.464 22.547 1.00 0.00 C ATOM 168 O SER A 15 44.840 52.498 21.952 1.00 0.00 O ATOM 169 CB SER A 15 44.480 50.840 24.877 1.00 0.00 C ATOM 170 OG SER A 15 45.003 50.439 26.131 1.00 0.00 O ATOM 0 H SER A 15 45.146 53.552 24.071 1.00 0.00 H new ATOM 0 HA SER A 15 46.490 50.940 24.122 1.00 0.00 H new ATOM 0 HB2 SER A 15 43.657 51.538 25.029 1.00 0.00 H new ATOM 0 HB3 SER A 15 44.071 49.974 24.356 1.00 0.00 H new ATOM 0 HG SER A 15 45.899 50.819 26.249 1.00 0.00 H new ATOM 176 N VAL A 16 45.130 50.267 21.969 1.00 0.00 N ATOM 177 CA VAL A 16 44.751 50.097 20.571 1.00 0.00 C ATOM 178 C VAL A 16 43.360 49.484 20.450 1.00 0.00 C ATOM 179 O VAL A 16 42.952 48.671 21.281 1.00 0.00 O ATOM 180 CB VAL A 16 45.759 49.207 19.820 1.00 0.00 C ATOM 181 CG1 VAL A 16 45.794 47.812 20.425 1.00 0.00 C ATOM 182 CG2 VAL A 16 45.416 49.146 18.339 1.00 0.00 C ATOM 0 H VAL A 16 45.378 49.401 22.447 1.00 0.00 H new ATOM 0 HA VAL A 16 44.749 51.090 20.121 1.00 0.00 H new ATOM 0 HB VAL A 16 46.751 49.646 19.922 1.00 0.00 H new ATOM 0 HG11 VAL A 16 46.512 47.198 19.881 1.00 0.00 H new ATOM 0 HG12 VAL A 16 46.091 47.877 21.472 1.00 0.00 H new ATOM 0 HG13 VAL A 16 44.804 47.361 20.356 1.00 0.00 H new ATOM 0 HG21 VAL A 16 46.139 48.513 17.824 1.00 0.00 H new ATOM 0 HG22 VAL A 16 44.416 48.731 18.214 1.00 0.00 H new ATOM 0 HG23 VAL A 16 45.448 50.150 17.917 1.00 0.00 H new ATOM 192 N THR A 17 42.634 49.878 19.409 1.00 0.00 N ATOM 193 CA THR A 17 41.288 49.369 19.178 1.00 0.00 C ATOM 194 C THR A 17 41.240 48.485 17.937 1.00 0.00 C ATOM 195 O THR A 17 42.011 48.676 16.997 1.00 0.00 O ATOM 196 CB THR A 17 40.273 50.516 19.018 1.00 0.00 C ATOM 197 OG1 THR A 17 38.941 49.991 18.991 1.00 0.00 O ATOM 198 CG2 THR A 17 40.540 51.300 17.742 1.00 0.00 C ATOM 0 H THR A 17 42.956 50.549 18.712 1.00 0.00 H new ATOM 0 HA THR A 17 41.020 48.777 20.053 1.00 0.00 H new ATOM 0 HB THR A 17 40.381 51.189 19.869 1.00 0.00 H new ATOM 0 HG1 THR A 17 38.301 50.727 18.891 1.00 0.00 H new ATOM 0 HG21 THR A 17 39.811 52.105 17.650 1.00 0.00 H new ATOM 0 HG22 THR A 17 41.544 51.722 17.778 1.00 0.00 H new ATOM 0 HG23 THR A 17 40.457 50.635 16.882 1.00 0.00 H new ATOM 464 N PRO A 36 2.943 17.873 -6.425 1.00 0.00 N ATOM 465 CA PRO A 36 2.143 16.646 -6.489 1.00 0.00 C ATOM 466 C PRO A 36 3.008 15.398 -6.625 1.00 0.00 C ATOM 467 O PRO A 36 4.144 15.464 -7.094 1.00 0.00 O ATOM 468 CB PRO A 36 1.289 16.844 -7.744 1.00 0.00 C ATOM 469 CG PRO A 36 2.073 17.785 -8.592 1.00 0.00 C ATOM 470 CD PRO A 36 2.798 18.695 -7.639 1.00 0.00 C ATOM 0 HA PRO A 36 1.560 16.491 -5.581 1.00 0.00 H new ATOM 0 HB2 PRO A 36 1.116 15.899 -8.258 1.00 0.00 H new ATOM 0 HB3 PRO A 36 0.311 17.256 -7.496 1.00 0.00 H new ATOM 0 HG2 PRO A 36 2.776 17.245 -9.227 1.00 0.00 H new ATOM 0 HG3 PRO A 36 1.418 18.353 -9.252 1.00 0.00 H new ATOM 0 HD2 PRO A 36 3.766 19.002 -8.035 1.00 0.00 H new ATOM 0 HD3 PRO A 36 2.231 19.605 -7.443 1.00 0.00 H new ATOM 478 N THR A 37 2.463 14.258 -6.211 1.00 0.00 N ATOM 479 CA THR A 37 3.184 12.994 -6.286 1.00 0.00 C ATOM 480 C THR A 37 2.385 11.949 -7.057 1.00 0.00 C ATOM 481 O THR A 37 1.156 11.999 -7.097 1.00 0.00 O ATOM 482 CB THR A 37 3.504 12.446 -4.882 1.00 0.00 C ATOM 483 OG1 THR A 37 2.297 12.039 -4.228 1.00 0.00 O ATOM 484 CG2 THR A 37 4.214 13.495 -4.040 1.00 0.00 C ATOM 0 H THR A 37 1.524 14.185 -5.820 1.00 0.00 H new ATOM 0 HA THR A 37 4.118 13.194 -6.812 1.00 0.00 H new ATOM 0 HB THR A 37 4.164 11.586 -4.994 1.00 0.00 H new ATOM 0 HG1 THR A 37 2.513 11.658 -3.351 1.00 0.00 H new ATOM 0 HG21 THR A 37 4.429 13.085 -3.053 1.00 0.00 H new ATOM 0 HG22 THR A 37 5.147 13.781 -4.526 1.00 0.00 H new ATOM 0 HG23 THR A 37 3.575 14.372 -3.937 1.00 0.00 H new ATOM 492 N TYR A 38 3.091 11.004 -7.667 1.00 0.00 N ATOM 493 CA TYR A 38 2.447 9.948 -8.439 1.00 0.00 C ATOM 494 C TYR A 38 2.970 8.575 -8.026 1.00 0.00 C ATOM 495 O TYR A 38 2.197 7.680 -7.686 1.00 0.00 O ATOM 496 CB TYR A 38 2.680 10.166 -9.935 1.00 0.00 C ATOM 497 CG TYR A 38 2.036 11.424 -10.471 1.00 0.00 C ATOM 498 CD1 TYR A 38 2.391 12.674 -9.980 1.00 0.00 C ATOM 499 CD2 TYR A 38 1.072 11.363 -11.470 1.00 0.00 C ATOM 500 CE1 TYR A 38 1.804 13.826 -10.466 1.00 0.00 C ATOM 501 CE2 TYR A 38 0.480 12.510 -11.964 1.00 0.00 C ATOM 502 CZ TYR A 38 0.850 13.739 -11.458 1.00 0.00 C ATOM 503 OH TYR A 38 0.264 14.884 -11.946 1.00 0.00 O ATOM 0 H TYR A 38 4.109 10.947 -7.642 1.00 0.00 H new ATOM 0 HA TYR A 38 1.377 9.986 -8.236 1.00 0.00 H new ATOM 0 HB2 TYR A 38 3.753 10.208 -10.125 1.00 0.00 H new ATOM 0 HB3 TYR A 38 2.292 9.307 -10.483 1.00 0.00 H new ATOM 0 HD1 TYR A 38 3.139 12.746 -9.205 1.00 0.00 H new ATOM 0 HD2 TYR A 38 0.780 10.402 -11.867 1.00 0.00 H new ATOM 0 HE1 TYR A 38 2.091 14.790 -10.071 1.00 0.00 H new ATOM 0 HE2 TYR A 38 -0.267 12.445 -12.741 1.00 0.00 H new ATOM 0 HH TYR A 38 -0.386 14.648 -12.641 1.00 0.00 H new ATOM 513 N CYS A 39 4.289 8.418 -8.058 1.00 0.00 N ATOM 514 CA CYS A 39 4.918 7.156 -7.688 1.00 0.00 C ATOM 515 C CYS A 39 4.238 6.547 -6.465 1.00 0.00 C ATOM 516 O CYS A 39 3.514 7.230 -5.739 1.00 0.00 O ATOM 517 CB CYS A 39 6.407 7.368 -7.404 1.00 0.00 C ATOM 518 SG CYS A 39 7.339 5.827 -7.135 1.00 0.00 S ATOM 0 H CYS A 39 4.943 9.149 -8.336 1.00 0.00 H new ATOM 0 HA CYS A 39 4.809 6.466 -8.524 1.00 0.00 H new ATOM 0 HB2 CYS A 39 6.852 7.908 -8.240 1.00 0.00 H new ATOM 0 HB3 CYS A 39 6.511 8.002 -6.523 1.00 0.00 H new ATOM 0 HG CYS A 39 8.612 6.089 -7.107 1.00 0.00 H new ATOM 523 N LEU A 40 4.476 5.260 -6.242 1.00 0.00 N ATOM 524 CA LEU A 40 3.887 4.558 -5.107 1.00 0.00 C ATOM 525 C LEU A 40 4.285 5.219 -3.792 1.00 0.00 C ATOM 526 O LEU A 40 3.458 5.393 -2.896 1.00 0.00 O ATOM 527 CB LEU A 40 4.324 3.092 -5.106 1.00 0.00 C ATOM 528 CG LEU A 40 4.208 2.356 -6.441 1.00 0.00 C ATOM 529 CD1 LEU A 40 5.279 1.282 -6.555 1.00 0.00 C ATOM 530 CD2 LEU A 40 2.821 1.747 -6.596 1.00 0.00 C ATOM 0 H LEU A 40 5.073 4.681 -6.832 1.00 0.00 H new ATOM 0 HA LEU A 40 2.802 4.608 -5.204 1.00 0.00 H new ATOM 0 HB2 LEU A 40 5.362 3.043 -4.776 1.00 0.00 H new ATOM 0 HB3 LEU A 40 3.729 2.557 -4.366 1.00 0.00 H new ATOM 0 HG LEU A 40 4.359 3.077 -7.245 1.00 0.00 H new ATOM 0 HD11 LEU A 40 5.180 0.769 -7.512 1.00 0.00 H new ATOM 0 HD12 LEU A 40 6.265 1.743 -6.491 1.00 0.00 H new ATOM 0 HD13 LEU A 40 5.161 0.563 -5.744 1.00 0.00 H new ATOM 0 HD21 LEU A 40 2.757 1.227 -7.552 1.00 0.00 H new ATOM 0 HD22 LEU A 40 2.641 1.040 -5.786 1.00 0.00 H new ATOM 0 HD23 LEU A 40 2.071 2.537 -6.561 1.00 0.00 H new ATOM 542 N CYS A 41 5.556 5.590 -3.682 1.00 0.00 N ATOM 543 CA CYS A 41 6.065 6.235 -2.478 1.00 0.00 C ATOM 544 C CYS A 41 5.392 7.587 -2.259 1.00 0.00 C ATOM 545 O CYS A 41 5.519 8.191 -1.194 1.00 0.00 O ATOM 546 CB CYS A 41 7.581 6.417 -2.573 1.00 0.00 C ATOM 547 SG CYS A 41 8.112 7.563 -3.886 1.00 0.00 S ATOM 0 H CYS A 41 6.254 5.455 -4.414 1.00 0.00 H new ATOM 0 HA CYS A 41 5.836 5.593 -1.628 1.00 0.00 H new ATOM 0 HB2 CYS A 41 7.953 6.781 -1.615 1.00 0.00 H new ATOM 0 HB3 CYS A 41 8.043 5.445 -2.746 1.00 0.00 H new ATOM 0 HG CYS A 41 7.897 7.021 -5.048 1.00 0.00 H new ATOM 552 N HIS A 42 4.675 8.056 -3.275 1.00 0.00 N ATOM 553 CA HIS A 42 3.981 9.336 -3.195 1.00 0.00 C ATOM 554 C HIS A 42 4.975 10.486 -3.071 1.00 0.00 C ATOM 555 O HIS A 42 4.836 11.348 -2.203 1.00 0.00 O ATOM 556 CB HIS A 42 3.021 9.346 -2.004 1.00 0.00 C ATOM 557 CG HIS A 42 1.627 8.924 -2.355 1.00 0.00 C ATOM 558 ND1 HIS A 42 0.593 9.819 -2.532 1.00 0.00 N ATOM 559 CD2 HIS A 42 1.100 7.696 -2.564 1.00 0.00 C ATOM 560 CE1 HIS A 42 -0.511 9.158 -2.833 1.00 0.00 C ATOM 561 NE2 HIS A 42 -0.230 7.868 -2.859 1.00 0.00 N ATOM 0 H HIS A 42 4.559 7.569 -4.164 1.00 0.00 H new ATOM 0 HA HIS A 42 3.410 9.470 -4.114 1.00 0.00 H new ATOM 0 HB2 HIS A 42 3.408 8.684 -1.230 1.00 0.00 H new ATOM 0 HB3 HIS A 42 2.992 10.350 -1.579 1.00 0.00 H new ATOM 0 HD2 HIS A 42 1.627 6.755 -2.509 1.00 0.00 H new ATOM 0 HE1 HIS A 42 -1.478 9.598 -3.025 1.00 0.00 H new ATOM 0 HE2 HIS A 42 -0.893 7.121 -3.065 1.00 0.00 H new ATOM 570 N GLN A 43 5.977 10.493 -3.944 1.00 0.00 N ATOM 571 CA GLN A 43 6.995 11.537 -3.930 1.00 0.00 C ATOM 572 C GLN A 43 6.852 12.452 -5.141 1.00 0.00 C ATOM 573 O GLN A 43 6.213 12.095 -6.131 1.00 0.00 O ATOM 574 CB GLN A 43 8.393 10.915 -3.908 1.00 0.00 C ATOM 575 CG GLN A 43 8.852 10.499 -2.519 1.00 0.00 C ATOM 576 CD GLN A 43 10.356 10.334 -2.427 1.00 0.00 C ATOM 577 OE1 GLN A 43 11.097 11.315 -2.367 1.00 0.00 O ATOM 578 NE2 GLN A 43 10.815 9.088 -2.415 1.00 0.00 N ATOM 0 H GLN A 43 6.106 9.788 -4.670 1.00 0.00 H new ATOM 0 HA GLN A 43 6.856 12.133 -3.028 1.00 0.00 H new ATOM 0 HB2 GLN A 43 8.404 10.043 -4.562 1.00 0.00 H new ATOM 0 HB3 GLN A 43 9.106 11.630 -4.318 1.00 0.00 H new ATOM 0 HG2 GLN A 43 8.527 11.246 -1.794 1.00 0.00 H new ATOM 0 HG3 GLN A 43 8.370 9.560 -2.247 1.00 0.00 H new ATOM 0 HE21 GLN A 43 10.164 8.304 -2.467 1.00 0.00 H new ATOM 0 HE22 GLN A 43 11.818 8.915 -2.354 1.00 0.00 H new ATOM 587 N VAL A 44 7.452 13.636 -5.056 1.00 0.00 N ATOM 588 CA VAL A 44 7.392 14.603 -6.145 1.00 0.00 C ATOM 589 C VAL A 44 8.179 14.116 -7.357 1.00 0.00 C ATOM 590 O VAL A 44 9.311 13.651 -7.228 1.00 0.00 O ATOM 591 CB VAL A 44 7.939 15.975 -5.709 1.00 0.00 C ATOM 592 CG1 VAL A 44 9.386 15.852 -5.254 1.00 0.00 C ATOM 593 CG2 VAL A 44 7.811 16.984 -6.840 1.00 0.00 C ATOM 0 H VAL A 44 7.985 13.948 -4.244 1.00 0.00 H new ATOM 0 HA VAL A 44 6.342 14.709 -6.416 1.00 0.00 H new ATOM 0 HB VAL A 44 7.347 16.332 -4.866 1.00 0.00 H new ATOM 0 HG11 VAL A 44 9.756 16.831 -4.950 1.00 0.00 H new ATOM 0 HG12 VAL A 44 9.445 15.164 -4.411 1.00 0.00 H new ATOM 0 HG13 VAL A 44 9.995 15.473 -6.075 1.00 0.00 H new ATOM 0 HG21 VAL A 44 8.202 17.948 -6.514 1.00 0.00 H new ATOM 0 HG22 VAL A 44 8.377 16.636 -7.704 1.00 0.00 H new ATOM 0 HG23 VAL A 44 6.762 17.093 -7.114 1.00 0.00 H new ATOM 603 N SER A 45 7.572 14.227 -8.534 1.00 0.00 N ATOM 604 CA SER A 45 8.214 13.794 -9.769 1.00 0.00 C ATOM 605 C SER A 45 9.367 14.724 -10.136 1.00 0.00 C ATOM 606 O SER A 45 9.204 15.943 -10.188 1.00 0.00 O ATOM 607 CB SER A 45 7.196 13.751 -10.911 1.00 0.00 C ATOM 608 OG SER A 45 6.746 15.053 -11.241 1.00 0.00 O ATOM 0 H SER A 45 6.636 14.613 -8.658 1.00 0.00 H new ATOM 0 HA SER A 45 8.613 12.792 -9.610 1.00 0.00 H new ATOM 0 HB2 SER A 45 7.647 13.286 -11.787 1.00 0.00 H new ATOM 0 HB3 SER A 45 6.347 13.131 -10.623 1.00 0.00 H new ATOM 0 HG SER A 45 6.098 14.999 -11.974 1.00 0.00 H new ATOM 614 N TYR A 46 10.533 14.139 -10.389 1.00 0.00 N ATOM 615 CA TYR A 46 11.715 14.914 -10.748 1.00 0.00 C ATOM 616 C TYR A 46 12.114 14.657 -12.198 1.00 0.00 C ATOM 617 O TYR A 46 12.070 15.559 -13.034 1.00 0.00 O ATOM 618 CB TYR A 46 12.879 14.568 -9.818 1.00 0.00 C ATOM 619 CG TYR A 46 12.751 13.209 -9.167 1.00 0.00 C ATOM 620 CD1 TYR A 46 11.974 13.033 -8.029 1.00 0.00 C ATOM 621 CD2 TYR A 46 13.407 12.101 -9.691 1.00 0.00 C ATOM 622 CE1 TYR A 46 11.854 11.793 -7.430 1.00 0.00 C ATOM 623 CE2 TYR A 46 13.292 10.858 -9.099 1.00 0.00 C ATOM 624 CZ TYR A 46 12.515 10.709 -7.969 1.00 0.00 C ATOM 625 OH TYR A 46 12.398 9.473 -7.377 1.00 0.00 O ATOM 0 H TYR A 46 10.685 13.131 -10.352 1.00 0.00 H new ATOM 0 HA TYR A 46 11.473 15.971 -10.638 1.00 0.00 H new ATOM 0 HB2 TYR A 46 13.809 14.604 -10.385 1.00 0.00 H new ATOM 0 HB3 TYR A 46 12.950 15.329 -9.041 1.00 0.00 H new ATOM 0 HD1 TYR A 46 11.455 13.880 -7.605 1.00 0.00 H new ATOM 0 HD2 TYR A 46 14.017 12.214 -10.575 1.00 0.00 H new ATOM 0 HE1 TYR A 46 11.246 11.674 -6.545 1.00 0.00 H new ATOM 0 HE2 TYR A 46 13.808 10.007 -9.519 1.00 0.00 H new ATOM 0 HH TYR A 46 12.925 8.818 -7.881 1.00 0.00 H new ATOM 635 N GLY A 47 12.502 13.419 -12.489 1.00 0.00 N ATOM 636 CA GLY A 47 12.902 13.065 -13.838 1.00 0.00 C ATOM 637 C GLY A 47 12.896 11.567 -14.070 1.00 0.00 C ATOM 638 O GLY A 47 12.434 11.096 -15.108 1.00 0.00 O ATOM 0 H GLY A 47 12.546 12.655 -11.814 1.00 0.00 H new ATOM 0 HA2 GLY A 47 12.229 13.543 -14.550 1.00 0.00 H new ATOM 0 HA3 GLY A 47 13.901 13.456 -14.032 1.00 0.00 H new ATOM 642 N GLU A 48 13.412 10.817 -13.101 1.00 0.00 N ATOM 643 CA GLU A 48 13.465 9.364 -13.206 1.00 0.00 C ATOM 644 C GLU A 48 12.061 8.768 -13.233 1.00 0.00 C ATOM 645 O GLU A 48 11.433 8.586 -12.191 1.00 0.00 O ATOM 646 CB GLU A 48 14.259 8.774 -12.039 1.00 0.00 C ATOM 647 CG GLU A 48 15.598 9.454 -11.808 1.00 0.00 C ATOM 648 CD GLU A 48 16.388 8.820 -10.680 1.00 0.00 C ATOM 649 OE1 GLU A 48 16.753 7.632 -10.805 1.00 0.00 O ATOM 650 OE2 GLU A 48 16.640 9.512 -9.671 1.00 0.00 O ATOM 0 H GLU A 48 13.799 11.192 -12.235 1.00 0.00 H new ATOM 0 HA GLU A 48 13.966 9.112 -14.141 1.00 0.00 H new ATOM 0 HB2 GLU A 48 13.662 8.848 -11.130 1.00 0.00 H new ATOM 0 HB3 GLU A 48 14.427 7.713 -12.224 1.00 0.00 H new ATOM 0 HG2 GLU A 48 16.185 9.413 -12.725 1.00 0.00 H new ATOM 0 HG3 GLU A 48 15.432 10.507 -11.583 1.00 0.00 H new ATOM 657 N MET A 49 11.574 8.467 -14.433 1.00 0.00 N ATOM 658 CA MET A 49 10.245 7.892 -14.596 1.00 0.00 C ATOM 659 C MET A 49 10.130 7.156 -15.927 1.00 0.00 C ATOM 660 O MET A 49 10.944 7.356 -16.829 1.00 0.00 O ATOM 661 CB MET A 49 9.178 8.985 -14.511 1.00 0.00 C ATOM 662 CG MET A 49 9.268 9.824 -13.246 1.00 0.00 C ATOM 663 SD MET A 49 7.881 10.963 -13.068 1.00 0.00 S ATOM 664 CE MET A 49 6.772 9.991 -12.052 1.00 0.00 C ATOM 0 H MET A 49 12.081 8.612 -15.306 1.00 0.00 H new ATOM 0 HA MET A 49 10.086 7.176 -13.790 1.00 0.00 H new ATOM 0 HB2 MET A 49 9.269 9.639 -15.378 1.00 0.00 H new ATOM 0 HB3 MET A 49 8.192 8.524 -14.562 1.00 0.00 H new ATOM 0 HG2 MET A 49 9.305 9.164 -12.379 1.00 0.00 H new ATOM 0 HG3 MET A 49 10.199 10.390 -13.256 1.00 0.00 H new ATOM 0 HE1 MET A 49 5.772 10.424 -12.088 1.00 0.00 H new ATOM 0 HE2 MET A 49 6.738 8.968 -12.427 1.00 0.00 H new ATOM 0 HE3 MET A 49 7.130 9.989 -11.022 1.00 0.00 H new ATOM 674 N ILE A 50 9.115 6.306 -16.043 1.00 0.00 N ATOM 675 CA ILE A 50 8.895 5.542 -17.265 1.00 0.00 C ATOM 676 C ILE A 50 7.440 5.630 -17.713 1.00 0.00 C ATOM 677 O ILE A 50 7.140 5.539 -18.903 1.00 0.00 O ATOM 678 CB ILE A 50 9.275 4.062 -17.079 1.00 0.00 C ATOM 679 CG1 ILE A 50 8.196 3.332 -16.278 1.00 0.00 C ATOM 680 CG2 ILE A 50 10.626 3.944 -16.389 1.00 0.00 C ATOM 681 CD1 ILE A 50 8.351 3.480 -14.780 1.00 0.00 C ATOM 0 H ILE A 50 8.432 6.129 -15.306 1.00 0.00 H new ATOM 0 HA ILE A 50 9.536 5.979 -18.031 1.00 0.00 H new ATOM 0 HB ILE A 50 9.349 3.596 -18.061 1.00 0.00 H new ATOM 0 HG12 ILE A 50 7.217 3.711 -16.573 1.00 0.00 H new ATOM 0 HG13 ILE A 50 8.219 2.273 -16.535 1.00 0.00 H new ATOM 0 HG21 ILE A 50 10.880 2.891 -16.265 1.00 0.00 H new ATOM 0 HG22 ILE A 50 11.388 4.432 -16.996 1.00 0.00 H new ATOM 0 HG23 ILE A 50 10.578 4.424 -15.411 1.00 0.00 H new ATOM 0 HD11 ILE A 50 7.552 2.937 -14.276 1.00 0.00 H new ATOM 0 HD12 ILE A 50 9.315 3.075 -14.472 1.00 0.00 H new ATOM 0 HD13 ILE A 50 8.298 4.535 -14.511 1.00 0.00 H new ATOM 693 N GLY A 51 6.540 5.810 -16.751 1.00 0.00 N ATOM 694 CA GLY A 51 5.127 5.908 -17.067 1.00 0.00 C ATOM 695 C GLY A 51 4.541 4.587 -17.522 1.00 0.00 C ATOM 696 O GLY A 51 4.958 4.031 -18.539 1.00 0.00 O ATOM 0 H GLY A 51 6.764 5.890 -15.759 1.00 0.00 H new ATOM 0 HA2 GLY A 51 4.585 6.259 -16.189 1.00 0.00 H new ATOM 0 HA3 GLY A 51 4.984 6.654 -17.849 1.00 0.00 H new ATOM 700 N CYS A 52 3.571 4.080 -16.768 1.00 0.00 N ATOM 701 CA CYS A 52 2.927 2.815 -17.098 1.00 0.00 C ATOM 702 C CYS A 52 2.330 2.857 -18.502 1.00 0.00 C ATOM 703 O CYS A 52 1.590 3.780 -18.845 1.00 0.00 O ATOM 704 CB CYS A 52 1.835 2.493 -16.076 1.00 0.00 C ATOM 705 SG CYS A 52 1.267 0.762 -16.115 1.00 0.00 S ATOM 0 H CYS A 52 3.214 4.527 -15.924 1.00 0.00 H new ATOM 0 HA CYS A 52 3.685 2.032 -17.069 1.00 0.00 H new ATOM 0 HB2 CYS A 52 2.209 2.719 -15.077 1.00 0.00 H new ATOM 0 HB3 CYS A 52 0.982 3.148 -16.253 1.00 0.00 H new ATOM 0 HG CYS A 52 1.331 0.257 -14.919 1.00 0.00 H new ATOM 710 N ASP A 53 2.656 1.853 -19.308 1.00 0.00 N ATOM 711 CA ASP A 53 2.151 1.775 -20.674 1.00 0.00 C ATOM 712 C ASP A 53 0.626 1.737 -20.688 1.00 0.00 C ATOM 713 O ASP A 53 -0.006 2.176 -21.648 1.00 0.00 O ATOM 714 CB ASP A 53 2.711 0.537 -21.377 1.00 0.00 C ATOM 715 CG ASP A 53 2.106 0.328 -22.751 1.00 0.00 C ATOM 716 OD1 ASP A 53 2.578 0.973 -23.711 1.00 0.00 O ATOM 717 OD2 ASP A 53 1.160 -0.479 -22.867 1.00 0.00 O ATOM 0 H ASP A 53 3.267 1.082 -19.040 1.00 0.00 H new ATOM 0 HA ASP A 53 2.479 2.667 -21.208 1.00 0.00 H new ATOM 0 HB2 ASP A 53 3.793 0.634 -21.470 1.00 0.00 H new ATOM 0 HB3 ASP A 53 2.522 -0.343 -20.762 1.00 0.00 H new ATOM 722 N ASN A 54 0.043 1.208 -19.618 1.00 0.00 N ATOM 723 CA ASN A 54 -1.409 1.111 -19.508 1.00 0.00 C ATOM 724 C ASN A 54 -2.026 2.480 -19.240 1.00 0.00 C ATOM 725 O ASN A 54 -1.728 3.140 -18.245 1.00 0.00 O ATOM 726 CB ASN A 54 -1.793 0.139 -18.391 1.00 0.00 C ATOM 727 CG ASN A 54 -3.279 -0.161 -18.371 1.00 0.00 C ATOM 728 OD1 ASN A 54 -3.934 -0.180 -19.414 1.00 0.00 O ATOM 729 ND2 ASN A 54 -3.819 -0.396 -17.181 1.00 0.00 N ATOM 0 H ASN A 54 0.553 0.840 -18.815 1.00 0.00 H new ATOM 0 HA ASN A 54 -1.796 0.736 -20.455 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -1.239 -0.791 -18.516 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -1.497 0.559 -17.430 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -4.815 -0.603 -17.105 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -3.238 -0.370 -16.343 1.00 0.00 H new ATOM 736 N PRO A 55 -2.910 2.919 -20.149 1.00 0.00 N ATOM 737 CA PRO A 55 -3.590 4.212 -20.033 1.00 0.00 C ATOM 738 C PRO A 55 -4.603 4.234 -18.894 1.00 0.00 C ATOM 739 O PRO A 55 -4.829 5.272 -18.272 1.00 0.00 O ATOM 740 CB PRO A 55 -4.298 4.363 -21.382 1.00 0.00 C ATOM 741 CG PRO A 55 -4.494 2.968 -21.865 1.00 0.00 C ATOM 742 CD PRO A 55 -3.314 2.185 -21.361 1.00 0.00 C ATOM 0 HA PRO A 55 -2.894 5.020 -19.809 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -5.250 4.882 -21.273 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -3.697 4.943 -22.082 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -5.428 2.552 -21.487 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -4.548 2.936 -22.953 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -3.583 1.153 -21.135 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -2.510 2.151 -22.097 1.00 0.00 H new ATOM 750 N ASP A 56 -5.209 3.083 -18.625 1.00 0.00 N ATOM 751 CA ASP A 56 -6.198 2.970 -17.559 1.00 0.00 C ATOM 752 C ASP A 56 -5.560 3.225 -16.197 1.00 0.00 C ATOM 753 O ASP A 56 -6.156 3.865 -15.330 1.00 0.00 O ATOM 754 CB ASP A 56 -6.847 1.585 -17.581 1.00 0.00 C ATOM 755 CG ASP A 56 -7.487 1.267 -18.918 1.00 0.00 C ATOM 756 OD1 ASP A 56 -7.968 2.207 -19.585 1.00 0.00 O ATOM 757 OD2 ASP A 56 -7.506 0.078 -19.298 1.00 0.00 O ATOM 0 H ASP A 56 -5.033 2.215 -19.130 1.00 0.00 H new ATOM 0 HA ASP A 56 -6.966 3.725 -17.728 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -6.094 0.830 -17.353 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -7.602 1.528 -16.797 1.00 0.00 H new ATOM 762 N CYS A 57 -4.344 2.719 -16.015 1.00 0.00 N ATOM 763 CA CYS A 57 -3.625 2.890 -14.759 1.00 0.00 C ATOM 764 C CYS A 57 -3.761 4.320 -14.244 1.00 0.00 C ATOM 765 O CYS A 57 -3.342 5.271 -14.903 1.00 0.00 O ATOM 766 CB CYS A 57 -2.146 2.541 -14.942 1.00 0.00 C ATOM 767 SG CYS A 57 -1.266 2.195 -13.385 1.00 0.00 S ATOM 0 H CYS A 57 -3.837 2.187 -16.722 1.00 0.00 H new ATOM 0 HA CYS A 57 -4.063 2.215 -14.024 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -2.067 1.670 -15.593 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -1.649 3.366 -15.452 1.00 0.00 H new ATOM 0 HG CYS A 57 -1.276 0.915 -13.156 1.00 0.00 H new ATOM 772 N SER A 58 -4.351 4.463 -13.061 1.00 0.00 N ATOM 773 CA SER A 58 -4.546 5.777 -12.459 1.00 0.00 C ATOM 774 C SER A 58 -3.210 6.480 -12.244 1.00 0.00 C ATOM 775 O SER A 58 -3.023 7.624 -12.662 1.00 0.00 O ATOM 776 CB SER A 58 -5.286 5.645 -11.126 1.00 0.00 C ATOM 777 OG SER A 58 -6.563 5.057 -11.307 1.00 0.00 O ATOM 0 H SER A 58 -4.702 3.686 -12.501 1.00 0.00 H new ATOM 0 HA SER A 58 -5.146 6.377 -13.143 1.00 0.00 H new ATOM 0 HB2 SER A 58 -4.697 5.038 -10.438 1.00 0.00 H new ATOM 0 HB3 SER A 58 -5.397 6.628 -10.669 1.00 0.00 H new ATOM 0 HG SER A 58 -7.015 4.982 -10.440 1.00 0.00 H new ATOM 783 N ILE A 59 -2.283 5.789 -11.589 1.00 0.00 N ATOM 784 CA ILE A 59 -0.963 6.346 -11.320 1.00 0.00 C ATOM 785 C ILE A 59 -0.155 6.492 -12.604 1.00 0.00 C ATOM 786 O ILE A 59 0.235 7.596 -12.981 1.00 0.00 O ATOM 787 CB ILE A 59 -0.175 5.470 -10.328 1.00 0.00 C ATOM 788 CG1 ILE A 59 -0.934 5.351 -9.004 1.00 0.00 C ATOM 789 CG2 ILE A 59 1.213 6.049 -10.098 1.00 0.00 C ATOM 790 CD1 ILE A 59 -0.356 4.313 -8.068 1.00 0.00 C ATOM 0 H ILE A 59 -2.422 4.843 -11.235 1.00 0.00 H new ATOM 0 HA ILE A 59 -1.120 7.330 -10.879 1.00 0.00 H new ATOM 0 HB ILE A 59 -0.066 4.473 -10.754 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -0.932 6.320 -8.505 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -1.975 5.102 -9.212 1.00 0.00 H new ATOM 0 HG21 ILE A 59 1.758 5.419 -9.395 1.00 0.00 H new ATOM 0 HG22 ILE A 59 1.753 6.087 -11.044 1.00 0.00 H new ATOM 0 HG23 ILE A 59 1.124 7.056 -9.690 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -0.943 4.283 -7.150 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -0.383 3.335 -8.548 1.00 0.00 H new ATOM 0 HD13 ILE A 59 0.676 4.572 -7.830 1.00 0.00 H new ATOM 802 N GLU A 60 0.090 5.370 -13.274 1.00 0.00 N ATOM 803 CA GLU A 60 0.851 5.374 -14.518 1.00 0.00 C ATOM 804 C GLU A 60 2.076 6.277 -14.403 1.00 0.00 C ATOM 805 O GLU A 60 2.398 7.024 -15.327 1.00 0.00 O ATOM 806 CB GLU A 60 -0.031 5.838 -15.679 1.00 0.00 C ATOM 807 CG GLU A 60 -0.483 7.283 -15.561 1.00 0.00 C ATOM 808 CD GLU A 60 -1.249 7.757 -16.781 1.00 0.00 C ATOM 809 OE1 GLU A 60 -1.064 7.166 -17.865 1.00 0.00 O ATOM 810 OE2 GLU A 60 -2.035 8.719 -16.650 1.00 0.00 O ATOM 0 H GLU A 60 -0.227 4.447 -12.976 1.00 0.00 H new ATOM 0 HA GLU A 60 1.188 4.356 -14.712 1.00 0.00 H new ATOM 0 HB2 GLU A 60 0.517 5.713 -16.613 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -0.909 5.195 -15.736 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -1.112 7.392 -14.677 1.00 0.00 H new ATOM 0 HG3 GLU A 60 0.388 7.921 -15.413 1.00 0.00 H new ATOM 817 N TRP A 61 2.754 6.202 -13.263 1.00 0.00 N ATOM 818 CA TRP A 61 3.943 7.012 -13.027 1.00 0.00 C ATOM 819 C TRP A 61 4.708 6.513 -11.806 1.00 0.00 C ATOM 820 O TRP A 61 4.124 6.282 -10.747 1.00 0.00 O ATOM 821 CB TRP A 61 3.556 8.480 -12.837 1.00 0.00 C ATOM 822 CG TRP A 61 3.343 9.210 -14.128 1.00 0.00 C ATOM 823 CD1 TRP A 61 2.150 9.620 -14.651 1.00 0.00 C ATOM 824 CD2 TRP A 61 4.352 9.615 -15.060 1.00 0.00 C ATOM 825 NE1 TRP A 61 2.356 10.255 -15.852 1.00 0.00 N ATOM 826 CE2 TRP A 61 3.699 10.266 -16.125 1.00 0.00 C ATOM 827 CE3 TRP A 61 5.743 9.492 -15.098 1.00 0.00 C ATOM 828 CZ2 TRP A 61 4.390 10.790 -17.213 1.00 0.00 C ATOM 829 CZ3 TRP A 61 6.429 10.013 -16.179 1.00 0.00 C ATOM 830 CH2 TRP A 61 5.752 10.656 -17.224 1.00 0.00 C ATOM 0 H TRP A 61 2.501 5.589 -12.488 1.00 0.00 H new ATOM 0 HA TRP A 61 4.591 6.924 -13.899 1.00 0.00 H new ATOM 0 HB2 TRP A 61 2.644 8.534 -12.243 1.00 0.00 H new ATOM 0 HB3 TRP A 61 4.337 8.984 -12.268 1.00 0.00 H new ATOM 0 HD1 TRP A 61 1.186 9.468 -14.189 1.00 0.00 H new ATOM 0 HE1 TRP A 61 1.628 10.654 -16.444 1.00 0.00 H new ATOM 0 HE3 TRP A 61 6.273 8.999 -14.297 1.00 0.00 H new ATOM 0 HZ2 TRP A 61 3.870 11.285 -18.020 1.00 0.00 H new ATOM 0 HZ3 TRP A 61 7.505 9.923 -16.219 1.00 0.00 H new ATOM 0 HH2 TRP A 61 6.316 11.054 -18.055 1.00 0.00 H new ATOM 841 N PHE A 62 6.018 6.349 -11.960 1.00 0.00 N ATOM 842 CA PHE A 62 6.862 5.877 -10.869 1.00 0.00 C ATOM 843 C PHE A 62 8.329 6.204 -11.136 1.00 0.00 C ATOM 844 O PHE A 62 8.672 6.768 -12.175 1.00 0.00 O ATOM 845 CB PHE A 62 6.691 4.368 -10.680 1.00 0.00 C ATOM 846 CG PHE A 62 5.262 3.912 -10.760 1.00 0.00 C ATOM 847 CD1 PHE A 62 4.443 3.959 -9.643 1.00 0.00 C ATOM 848 CD2 PHE A 62 4.738 3.437 -11.951 1.00 0.00 C ATOM 849 CE1 PHE A 62 3.128 3.539 -9.714 1.00 0.00 C ATOM 850 CE2 PHE A 62 3.424 3.017 -12.028 1.00 0.00 C ATOM 851 CZ PHE A 62 2.618 3.069 -10.908 1.00 0.00 C ATOM 0 H PHE A 62 6.518 6.536 -12.829 1.00 0.00 H new ATOM 0 HA PHE A 62 6.554 6.388 -9.957 1.00 0.00 H new ATOM 0 HB2 PHE A 62 7.273 3.846 -11.439 1.00 0.00 H new ATOM 0 HB3 PHE A 62 7.102 4.082 -9.712 1.00 0.00 H new ATOM 0 HD1 PHE A 62 4.836 4.328 -8.707 1.00 0.00 H new ATOM 0 HD2 PHE A 62 5.364 3.394 -12.830 1.00 0.00 H new ATOM 0 HE1 PHE A 62 2.500 3.578 -8.836 1.00 0.00 H new ATOM 0 HE2 PHE A 62 3.028 2.649 -12.963 1.00 0.00 H new ATOM 0 HZ PHE A 62 1.590 2.743 -10.966 1.00 0.00 H new ATOM 861 N HIS A 63 9.190 5.847 -10.189 1.00 0.00 N ATOM 862 CA HIS A 63 10.620 6.102 -10.320 1.00 0.00 C ATOM 863 C HIS A 63 11.372 4.821 -10.666 1.00 0.00 C ATOM 864 O HIS A 63 10.776 3.748 -10.769 1.00 0.00 O ATOM 865 CB HIS A 63 11.175 6.698 -9.026 1.00 0.00 C ATOM 866 CG HIS A 63 10.484 7.958 -8.603 1.00 0.00 C ATOM 867 ND1 HIS A 63 9.853 8.098 -7.385 1.00 0.00 N ATOM 868 CD2 HIS A 63 10.330 9.141 -9.243 1.00 0.00 C ATOM 869 CE1 HIS A 63 9.339 9.312 -7.295 1.00 0.00 C ATOM 870 NE2 HIS A 63 9.615 9.965 -8.409 1.00 0.00 N ATOM 0 H HIS A 63 8.923 5.380 -9.322 1.00 0.00 H new ATOM 0 HA HIS A 63 10.762 6.816 -11.131 1.00 0.00 H new ATOM 0 HB2 HIS A 63 11.087 5.960 -8.229 1.00 0.00 H new ATOM 0 HB3 HIS A 63 12.238 6.902 -9.156 1.00 0.00 H new ATOM 0 HD2 HIS A 63 10.700 9.390 -10.226 1.00 0.00 H new ATOM 0 HE1 HIS A 63 8.787 9.704 -6.453 1.00 0.00 H new ATOM 0 HE2 HIS A 63 9.342 10.926 -8.616 1.00 0.00 H new ATOM 878 N PHE A 64 12.683 4.939 -10.847 1.00 0.00 N ATOM 879 CA PHE A 64 13.515 3.790 -11.184 1.00 0.00 C ATOM 880 C PHE A 64 13.971 3.061 -9.923 1.00 0.00 C ATOM 881 O PHE A 64 13.904 1.835 -9.845 1.00 0.00 O ATOM 882 CB PHE A 64 14.732 4.237 -11.996 1.00 0.00 C ATOM 883 CG PHE A 64 14.376 4.998 -13.241 1.00 0.00 C ATOM 884 CD1 PHE A 64 13.073 5.008 -13.713 1.00 0.00 C ATOM 885 CD2 PHE A 64 15.343 5.703 -13.939 1.00 0.00 C ATOM 886 CE1 PHE A 64 12.741 5.708 -14.858 1.00 0.00 C ATOM 887 CE2 PHE A 64 15.017 6.405 -15.084 1.00 0.00 C ATOM 888 CZ PHE A 64 13.715 6.407 -15.545 1.00 0.00 C ATOM 0 H PHE A 64 13.192 5.819 -10.766 1.00 0.00 H new ATOM 0 HA PHE A 64 12.918 3.103 -11.784 1.00 0.00 H new ATOM 0 HB2 PHE A 64 15.368 4.861 -11.368 1.00 0.00 H new ATOM 0 HB3 PHE A 64 15.317 3.360 -12.271 1.00 0.00 H new ATOM 0 HD1 PHE A 64 12.308 4.463 -13.180 1.00 0.00 H new ATOM 0 HD2 PHE A 64 16.363 5.704 -13.584 1.00 0.00 H new ATOM 0 HE1 PHE A 64 11.722 5.708 -15.215 1.00 0.00 H new ATOM 0 HE2 PHE A 64 15.780 6.952 -15.618 1.00 0.00 H new ATOM 0 HZ PHE A 64 13.459 6.954 -16.440 1.00 0.00 H new ATOM 898 N ALA A 65 14.435 3.825 -8.940 1.00 0.00 N ATOM 899 CA ALA A 65 14.901 3.252 -7.683 1.00 0.00 C ATOM 900 C ALA A 65 13.738 3.006 -6.728 1.00 0.00 C ATOM 901 O ALA A 65 13.910 3.012 -5.508 1.00 0.00 O ATOM 902 CB ALA A 65 15.932 4.166 -7.037 1.00 0.00 C ATOM 0 H ALA A 65 14.498 4.842 -8.990 1.00 0.00 H new ATOM 0 HA ALA A 65 15.368 2.292 -7.901 1.00 0.00 H new ATOM 0 HB1 ALA A 65 16.271 3.726 -6.099 1.00 0.00 H new ATOM 0 HB2 ALA A 65 16.782 4.288 -7.709 1.00 0.00 H new ATOM 0 HB3 ALA A 65 15.483 5.139 -6.839 1.00 0.00 H new ATOM 908 N CYS A 66 12.553 2.789 -7.289 1.00 0.00 N ATOM 909 CA CYS A 66 11.361 2.542 -6.488 1.00 0.00 C ATOM 910 C CYS A 66 10.641 1.281 -6.958 1.00 0.00 C ATOM 911 O CYS A 66 9.964 0.611 -6.178 1.00 0.00 O ATOM 912 CB CYS A 66 10.413 3.741 -6.562 1.00 0.00 C ATOM 913 SG CYS A 66 10.745 5.029 -5.317 1.00 0.00 S ATOM 0 H CYS A 66 12.393 2.779 -8.296 1.00 0.00 H new ATOM 0 HA CYS A 66 11.673 2.397 -5.454 1.00 0.00 H new ATOM 0 HB2 CYS A 66 10.482 4.184 -7.555 1.00 0.00 H new ATOM 0 HB3 CYS A 66 9.389 3.389 -6.441 1.00 0.00 H new ATOM 0 HG CYS A 66 9.647 5.675 -5.058 1.00 0.00 H new ATOM 918 N VAL A 67 10.793 0.963 -8.240 1.00 0.00 N ATOM 919 CA VAL A 67 10.160 -0.218 -8.815 1.00 0.00 C ATOM 920 C VAL A 67 11.201 -1.250 -9.235 1.00 0.00 C ATOM 921 O VAL A 67 11.012 -2.450 -9.044 1.00 0.00 O ATOM 922 CB VAL A 67 9.294 0.148 -10.035 1.00 0.00 C ATOM 923 CG1 VAL A 67 8.149 1.061 -9.623 1.00 0.00 C ATOM 924 CG2 VAL A 67 10.144 0.799 -11.116 1.00 0.00 C ATOM 0 H VAL A 67 11.349 1.507 -8.900 1.00 0.00 H new ATOM 0 HA VAL A 67 9.522 -0.644 -8.041 1.00 0.00 H new ATOM 0 HB VAL A 67 8.867 -0.768 -10.443 1.00 0.00 H new ATOM 0 HG11 VAL A 67 7.548 1.309 -10.498 1.00 0.00 H new ATOM 0 HG12 VAL A 67 7.526 0.553 -8.887 1.00 0.00 H new ATOM 0 HG13 VAL A 67 8.552 1.976 -9.188 1.00 0.00 H new ATOM 0 HG21 VAL A 67 9.516 1.051 -11.970 1.00 0.00 H new ATOM 0 HG22 VAL A 67 10.601 1.706 -10.722 1.00 0.00 H new ATOM 0 HG23 VAL A 67 10.925 0.107 -11.431 1.00 0.00 H new ATOM 934 N GLY A 68 12.301 -0.773 -9.810 1.00 0.00 N ATOM 935 CA GLY A 68 13.356 -1.667 -10.248 1.00 0.00 C ATOM 936 C GLY A 68 13.772 -1.414 -11.684 1.00 0.00 C ATOM 937 O GLY A 68 13.811 -2.336 -12.499 1.00 0.00 O ATOM 0 H GLY A 68 12.480 0.217 -9.980 1.00 0.00 H new ATOM 0 HA2 GLY A 68 14.222 -1.549 -9.596 1.00 0.00 H new ATOM 0 HA3 GLY A 68 13.019 -2.699 -10.147 1.00 0.00 H new ATOM 941 N LEU A 69 14.084 -0.160 -11.994 1.00 0.00 N ATOM 942 CA LEU A 69 14.498 0.214 -13.342 1.00 0.00 C ATOM 943 C LEU A 69 15.850 0.919 -13.321 1.00 0.00 C ATOM 944 O LEU A 69 16.305 1.383 -12.274 1.00 0.00 O ATOM 945 CB LEU A 69 13.448 1.120 -13.987 1.00 0.00 C ATOM 946 CG LEU A 69 12.184 0.426 -14.496 1.00 0.00 C ATOM 947 CD1 LEU A 69 10.964 1.306 -14.271 1.00 0.00 C ATOM 948 CD2 LEU A 69 12.326 0.074 -15.970 1.00 0.00 C ATOM 0 H LEU A 69 14.058 0.614 -11.331 1.00 0.00 H new ATOM 0 HA LEU A 69 14.594 -0.698 -13.931 1.00 0.00 H new ATOM 0 HB2 LEU A 69 13.155 1.877 -13.260 1.00 0.00 H new ATOM 0 HB3 LEU A 69 13.913 1.643 -14.823 1.00 0.00 H new ATOM 0 HG LEU A 69 12.048 -0.498 -13.934 1.00 0.00 H new ATOM 0 HD11 LEU A 69 10.074 0.796 -14.639 1.00 0.00 H new ATOM 0 HD12 LEU A 69 10.852 1.507 -13.206 1.00 0.00 H new ATOM 0 HD13 LEU A 69 11.090 2.247 -14.806 1.00 0.00 H new ATOM 0 HD21 LEU A 69 11.417 -0.419 -16.315 1.00 0.00 H new ATOM 0 HD22 LEU A 69 12.487 0.984 -16.548 1.00 0.00 H new ATOM 0 HD23 LEU A 69 13.176 -0.596 -16.104 1.00 0.00 H new ATOM 960 N THR A 70 16.490 0.998 -14.484 1.00 0.00 N ATOM 961 CA THR A 70 17.789 1.648 -14.599 1.00 0.00 C ATOM 962 C THR A 70 17.732 2.824 -15.566 1.00 0.00 C ATOM 963 O THR A 70 18.319 3.877 -15.316 1.00 0.00 O ATOM 964 CB THR A 70 18.871 0.660 -15.074 1.00 0.00 C ATOM 965 OG1 THR A 70 18.436 -0.008 -16.264 1.00 0.00 O ATOM 966 CG2 THR A 70 19.178 -0.367 -13.994 1.00 0.00 C ATOM 0 H THR A 70 16.129 0.619 -15.360 1.00 0.00 H new ATOM 0 HA THR A 70 18.050 2.011 -13.605 1.00 0.00 H new ATOM 0 HB THR A 70 19.779 1.224 -15.286 1.00 0.00 H new ATOM 0 HG1 THR A 70 19.130 -0.633 -16.561 1.00 0.00 H new ATOM 0 HG21 THR A 70 19.945 -1.054 -14.352 1.00 0.00 H new ATOM 0 HG22 THR A 70 19.536 0.142 -13.099 1.00 0.00 H new ATOM 0 HG23 THR A 70 18.273 -0.926 -13.756 1.00 0.00 H new ATOM 974 N THR A 71 17.020 2.640 -16.674 1.00 0.00 N ATOM 975 CA THR A 71 16.886 3.687 -17.679 1.00 0.00 C ATOM 976 C THR A 71 15.526 3.619 -18.365 1.00 0.00 C ATOM 977 O THR A 71 15.113 2.564 -18.846 1.00 0.00 O ATOM 978 CB THR A 71 17.992 3.585 -18.746 1.00 0.00 C ATOM 979 OG1 THR A 71 17.964 2.292 -19.359 1.00 0.00 O ATOM 980 CG2 THR A 71 19.362 3.831 -18.131 1.00 0.00 C ATOM 0 H THR A 71 16.527 1.775 -16.898 1.00 0.00 H new ATOM 0 HA THR A 71 16.980 4.640 -17.158 1.00 0.00 H new ATOM 0 HB THR A 71 17.808 4.349 -19.502 1.00 0.00 H new ATOM 0 HG1 THR A 71 17.058 1.923 -19.303 1.00 0.00 H new ATOM 0 HG21 THR A 71 20.127 3.754 -18.904 1.00 0.00 H new ATOM 0 HG22 THR A 71 19.390 4.828 -17.691 1.00 0.00 H new ATOM 0 HG23 THR A 71 19.552 3.088 -17.357 1.00 0.00 H new ATOM 988 N LYS A 72 14.834 4.753 -18.408 1.00 0.00 N ATOM 989 CA LYS A 72 13.520 4.824 -19.037 1.00 0.00 C ATOM 990 C LYS A 72 13.457 3.924 -20.267 1.00 0.00 C ATOM 991 O LYS A 72 14.060 4.205 -21.303 1.00 0.00 O ATOM 992 CB LYS A 72 13.198 6.267 -19.431 1.00 0.00 C ATOM 993 CG LYS A 72 11.807 6.443 -20.014 1.00 0.00 C ATOM 994 CD LYS A 72 11.562 7.877 -20.450 1.00 0.00 C ATOM 995 CE LYS A 72 10.890 8.687 -19.351 1.00 0.00 C ATOM 996 NZ LYS A 72 11.884 9.296 -18.425 1.00 0.00 N ATOM 0 H LYS A 72 15.161 5.635 -18.015 1.00 0.00 H new ATOM 0 HA LYS A 72 12.780 4.477 -18.316 1.00 0.00 H new ATOM 0 HB2 LYS A 72 13.298 6.905 -18.553 1.00 0.00 H new ATOM 0 HB3 LYS A 72 13.934 6.609 -20.159 1.00 0.00 H new ATOM 0 HG2 LYS A 72 11.682 5.776 -20.867 1.00 0.00 H new ATOM 0 HG3 LYS A 72 11.062 6.155 -19.273 1.00 0.00 H new ATOM 0 HD2 LYS A 72 12.510 8.343 -20.719 1.00 0.00 H new ATOM 0 HD3 LYS A 72 10.937 7.885 -21.343 1.00 0.00 H new ATOM 0 HE2 LYS A 72 10.282 9.473 -19.799 1.00 0.00 H new ATOM 0 HE3 LYS A 72 10.215 8.044 -18.787 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 11.915 8.749 -17.541 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 12.824 9.288 -18.870 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 11.608 10.277 -18.216 1.00 0.00 H new ATOM 1010 N PRO A 73 12.708 2.817 -20.153 1.00 0.00 N ATOM 1011 CA PRO A 73 12.546 1.855 -21.248 1.00 0.00 C ATOM 1012 C PRO A 73 11.715 2.417 -22.396 1.00 0.00 C ATOM 1013 O PRO A 73 11.754 1.902 -23.513 1.00 0.00 O ATOM 1014 CB PRO A 73 11.819 0.683 -20.585 1.00 0.00 C ATOM 1015 CG PRO A 73 11.096 1.289 -19.432 1.00 0.00 C ATOM 1016 CD PRO A 73 11.961 2.419 -18.948 1.00 0.00 C ATOM 0 HA PRO A 73 13.502 1.583 -21.696 1.00 0.00 H new ATOM 0 HB2 PRO A 73 11.128 0.203 -21.278 1.00 0.00 H new ATOM 0 HB3 PRO A 73 12.521 -0.082 -20.254 1.00 0.00 H new ATOM 0 HG2 PRO A 73 10.114 1.652 -19.735 1.00 0.00 H new ATOM 0 HG3 PRO A 73 10.936 0.555 -18.643 1.00 0.00 H new ATOM 0 HD2 PRO A 73 11.364 3.242 -18.555 1.00 0.00 H new ATOM 0 HD3 PRO A 73 12.629 2.100 -18.148 1.00 0.00 H new ATOM 1024 N ARG A 74 10.965 3.477 -22.113 1.00 0.00 N ATOM 1025 CA ARG A 74 10.124 4.108 -23.123 1.00 0.00 C ATOM 1026 C ARG A 74 9.620 3.080 -24.131 1.00 0.00 C ATOM 1027 O ARG A 74 9.526 3.361 -25.325 1.00 0.00 O ATOM 1028 CB ARG A 74 10.900 5.210 -23.847 1.00 0.00 C ATOM 1029 CG ARG A 74 10.017 6.328 -24.379 1.00 0.00 C ATOM 1030 CD ARG A 74 10.670 7.043 -25.551 1.00 0.00 C ATOM 1031 NE ARG A 74 11.571 8.105 -25.111 1.00 0.00 N ATOM 1032 CZ ARG A 74 11.887 9.158 -25.857 1.00 0.00 C ATOM 1033 NH1 ARG A 74 11.377 9.289 -27.074 1.00 0.00 N ATOM 1034 NH2 ARG A 74 12.714 10.082 -25.386 1.00 0.00 N ATOM 0 H ARG A 74 10.923 3.917 -21.194 1.00 0.00 H new ATOM 0 HA ARG A 74 9.264 4.549 -22.619 1.00 0.00 H new ATOM 0 HB2 ARG A 74 11.636 5.634 -23.164 1.00 0.00 H new ATOM 0 HB3 ARG A 74 11.452 4.769 -24.677 1.00 0.00 H new ATOM 0 HG2 ARG A 74 9.057 5.918 -24.691 1.00 0.00 H new ATOM 0 HG3 ARG A 74 9.814 7.043 -23.582 1.00 0.00 H new ATOM 0 HD2 ARG A 74 11.225 6.322 -26.152 1.00 0.00 H new ATOM 0 HD3 ARG A 74 9.898 7.466 -26.194 1.00 0.00 H new ATOM 0 HE ARG A 74 11.980 8.034 -24.179 1.00 0.00 H new ATOM 0 HH11 ARG A 74 10.741 8.580 -27.439 1.00 0.00 H new ATOM 0 HH12 ARG A 74 11.621 10.098 -27.645 1.00 0.00 H new ATOM 0 HH21 ARG A 74 13.108 9.984 -24.450 1.00 0.00 H new ATOM 0 HH22 ARG A 74 12.956 10.890 -25.960 1.00 0.00 H new ATOM 1048 N GLY A 75 9.297 1.887 -23.641 1.00 0.00 N ATOM 1049 CA GLY A 75 8.807 0.835 -24.513 1.00 0.00 C ATOM 1050 C GLY A 75 7.509 0.229 -24.017 1.00 0.00 C ATOM 1051 O GLY A 75 6.429 0.764 -24.269 1.00 0.00 O ATOM 0 H GLY A 75 9.366 1.630 -22.656 1.00 0.00 H new ATOM 0 HA2 GLY A 75 8.657 1.238 -25.515 1.00 0.00 H new ATOM 0 HA3 GLY A 75 9.562 0.053 -24.594 1.00 0.00 H new ATOM 1055 N LYS A 76 7.612 -0.892 -23.311 1.00 0.00 N ATOM 1056 CA LYS A 76 6.438 -1.573 -22.779 1.00 0.00 C ATOM 1057 C LYS A 76 6.659 -1.984 -21.327 1.00 0.00 C ATOM 1058 O LYS A 76 6.681 -3.173 -21.006 1.00 0.00 O ATOM 1059 CB LYS A 76 6.110 -2.805 -23.626 1.00 0.00 C ATOM 1060 CG LYS A 76 5.227 -2.502 -24.824 1.00 0.00 C ATOM 1061 CD LYS A 76 3.753 -2.560 -24.459 1.00 0.00 C ATOM 1062 CE LYS A 76 3.295 -3.989 -24.214 1.00 0.00 C ATOM 1063 NZ LYS A 76 2.792 -4.632 -25.459 1.00 0.00 N ATOM 0 H LYS A 76 8.498 -1.348 -23.094 1.00 0.00 H new ATOM 0 HA LYS A 76 5.598 -0.880 -22.818 1.00 0.00 H new ATOM 0 HB2 LYS A 76 7.040 -3.254 -23.975 1.00 0.00 H new ATOM 0 HB3 LYS A 76 5.615 -3.546 -22.998 1.00 0.00 H new ATOM 0 HG2 LYS A 76 5.468 -1.513 -25.214 1.00 0.00 H new ATOM 0 HG3 LYS A 76 5.434 -3.217 -25.620 1.00 0.00 H new ATOM 0 HD2 LYS A 76 3.575 -1.962 -23.566 1.00 0.00 H new ATOM 0 HD3 LYS A 76 3.161 -2.120 -25.261 1.00 0.00 H new ATOM 0 HE2 LYS A 76 4.124 -4.572 -23.814 1.00 0.00 H new ATOM 0 HE3 LYS A 76 2.508 -3.994 -23.460 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 2.490 -5.605 -25.250 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 1.984 -4.090 -25.828 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 3.550 -4.651 -26.171 1.00 0.00 H new ATOM 1077 N TRP A 77 6.820 -0.996 -20.455 1.00 0.00 N ATOM 1078 CA TRP A 77 7.038 -1.257 -19.037 1.00 0.00 C ATOM 1079 C TRP A 77 5.741 -1.102 -18.250 1.00 0.00 C ATOM 1080 O TRP A 77 5.190 -0.006 -18.152 1.00 0.00 O ATOM 1081 CB TRP A 77 8.102 -0.310 -18.481 1.00 0.00 C ATOM 1082 CG TRP A 77 8.479 -0.608 -17.061 1.00 0.00 C ATOM 1083 CD1 TRP A 77 9.512 -1.393 -16.634 1.00 0.00 C ATOM 1084 CD2 TRP A 77 7.825 -0.127 -15.882 1.00 0.00 C ATOM 1085 NE1 TRP A 77 9.540 -1.428 -15.261 1.00 0.00 N ATOM 1086 CE2 TRP A 77 8.515 -0.659 -14.775 1.00 0.00 C ATOM 1087 CE3 TRP A 77 6.724 0.704 -15.653 1.00 0.00 C ATOM 1088 CZ2 TRP A 77 8.139 -0.388 -13.463 1.00 0.00 C ATOM 1089 CZ3 TRP A 77 6.352 0.971 -14.349 1.00 0.00 C ATOM 1090 CH2 TRP A 77 7.058 0.428 -13.268 1.00 0.00 C ATOM 0 H TRP A 77 6.804 -0.007 -20.704 1.00 0.00 H new ATOM 0 HA TRP A 77 7.385 -2.285 -18.931 1.00 0.00 H new ATOM 0 HB2 TRP A 77 8.993 -0.369 -19.106 1.00 0.00 H new ATOM 0 HB3 TRP A 77 7.735 0.715 -18.545 1.00 0.00 H new ATOM 0 HD1 TRP A 77 10.205 -1.910 -17.281 1.00 0.00 H new ATOM 0 HE1 TRP A 77 10.214 -1.943 -14.695 1.00 0.00 H new ATOM 0 HE3 TRP A 77 6.175 1.129 -16.480 1.00 0.00 H new ATOM 0 HZ2 TRP A 77 8.681 -0.807 -12.628 1.00 0.00 H new ATOM 0 HZ3 TRP A 77 5.502 1.610 -14.160 1.00 0.00 H new ATOM 0 HH2 TRP A 77 6.743 0.658 -12.261 1.00 0.00 H new ATOM 1101 N PHE A 78 5.259 -2.207 -17.689 1.00 0.00 N ATOM 1102 CA PHE A 78 4.026 -2.193 -16.911 1.00 0.00 C ATOM 1103 C PHE A 78 4.326 -2.235 -15.415 1.00 0.00 C ATOM 1104 O PHE A 78 5.094 -3.077 -14.948 1.00 0.00 O ATOM 1105 CB PHE A 78 3.140 -3.379 -17.298 1.00 0.00 C ATOM 1106 CG PHE A 78 2.223 -3.091 -18.452 1.00 0.00 C ATOM 1107 CD1 PHE A 78 2.731 -2.884 -19.724 1.00 0.00 C ATOM 1108 CD2 PHE A 78 0.851 -3.027 -18.264 1.00 0.00 C ATOM 1109 CE1 PHE A 78 1.890 -2.619 -20.788 1.00 0.00 C ATOM 1110 CE2 PHE A 78 0.005 -2.762 -19.324 1.00 0.00 C ATOM 1111 CZ PHE A 78 0.525 -2.557 -20.587 1.00 0.00 C ATOM 0 H PHE A 78 5.704 -3.122 -17.759 1.00 0.00 H new ATOM 0 HA PHE A 78 3.497 -1.266 -17.132 1.00 0.00 H new ATOM 0 HB2 PHE A 78 3.774 -4.228 -17.552 1.00 0.00 H new ATOM 0 HB3 PHE A 78 2.543 -3.673 -16.435 1.00 0.00 H new ATOM 0 HD1 PHE A 78 3.798 -2.930 -19.886 1.00 0.00 H new ATOM 0 HD2 PHE A 78 0.439 -3.186 -17.278 1.00 0.00 H new ATOM 0 HE1 PHE A 78 2.299 -2.461 -21.775 1.00 0.00 H new ATOM 0 HE2 PHE A 78 -1.062 -2.715 -19.165 1.00 0.00 H new ATOM 0 HZ PHE A 78 -0.135 -2.349 -21.416 1.00 0.00 H new ATOM 1121 N CYS A 79 3.716 -1.320 -14.670 1.00 0.00 N ATOM 1122 CA CYS A 79 3.917 -1.250 -13.227 1.00 0.00 C ATOM 1123 C CYS A 79 3.693 -2.614 -12.580 1.00 0.00 C ATOM 1124 O CYS A 79 2.971 -3.464 -13.100 1.00 0.00 O ATOM 1125 CB CYS A 79 2.973 -0.218 -12.609 1.00 0.00 C ATOM 1126 SG CYS A 79 1.247 -0.782 -12.463 1.00 0.00 S ATOM 0 H CYS A 79 3.078 -0.616 -15.041 1.00 0.00 H new ATOM 0 HA CYS A 79 4.947 -0.945 -13.043 1.00 0.00 H new ATOM 0 HB2 CYS A 79 3.342 0.049 -11.619 1.00 0.00 H new ATOM 0 HB3 CYS A 79 2.998 0.689 -13.213 1.00 0.00 H new ATOM 0 HG CYS A 79 0.799 -1.116 -13.637 1.00 0.00 H new ATOM 1131 N PRO A 80 4.325 -2.828 -11.416 1.00 0.00 N ATOM 1132 CA PRO A 80 4.209 -4.085 -10.672 1.00 0.00 C ATOM 1133 C PRO A 80 2.823 -4.274 -10.066 1.00 0.00 C ATOM 1134 O PRO A 80 2.588 -5.220 -9.313 1.00 0.00 O ATOM 1135 CB PRO A 80 5.260 -3.942 -9.568 1.00 0.00 C ATOM 1136 CG PRO A 80 5.416 -2.472 -9.382 1.00 0.00 C ATOM 1137 CD PRO A 80 5.201 -1.858 -10.738 1.00 0.00 C ATOM 0 HA PRO A 80 4.360 -4.953 -11.313 1.00 0.00 H new ATOM 0 HB2 PRO A 80 4.935 -4.425 -8.647 1.00 0.00 H new ATOM 0 HB3 PRO A 80 6.203 -4.407 -9.856 1.00 0.00 H new ATOM 0 HG2 PRO A 80 4.692 -2.091 -8.662 1.00 0.00 H new ATOM 0 HG3 PRO A 80 6.407 -2.230 -8.997 1.00 0.00 H new ATOM 0 HD2 PRO A 80 4.733 -0.876 -10.665 1.00 0.00 H new ATOM 0 HD3 PRO A 80 6.142 -1.724 -11.272 1.00 0.00 H new ATOM 1145 N ARG A 81 1.908 -3.370 -10.399 1.00 0.00 N ATOM 1146 CA ARG A 81 0.545 -3.437 -9.887 1.00 0.00 C ATOM 1147 C ARG A 81 -0.421 -3.910 -10.970 1.00 0.00 C ATOM 1148 O ARG A 81 -1.473 -4.477 -10.674 1.00 0.00 O ATOM 1149 CB ARG A 81 0.107 -2.069 -9.360 1.00 0.00 C ATOM 1150 CG ARG A 81 0.378 -1.871 -7.878 1.00 0.00 C ATOM 1151 CD ARG A 81 -0.636 -0.931 -7.246 1.00 0.00 C ATOM 1152 NE ARG A 81 -1.857 -1.628 -6.850 1.00 0.00 N ATOM 1153 CZ ARG A 81 -1.943 -2.406 -5.776 1.00 0.00 C ATOM 1154 NH1 ARG A 81 -0.885 -2.584 -4.996 1.00 0.00 N ATOM 1155 NH2 ARG A 81 -3.088 -3.006 -5.481 1.00 0.00 N ATOM 0 H ARG A 81 2.086 -2.582 -11.022 1.00 0.00 H new ATOM 0 HA ARG A 81 0.527 -4.157 -9.069 1.00 0.00 H new ATOM 0 HB2 ARG A 81 0.623 -1.291 -9.922 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -0.960 -1.942 -9.546 1.00 0.00 H new ATOM 0 HG2 ARG A 81 0.348 -2.835 -7.370 1.00 0.00 H new ATOM 0 HG3 ARG A 81 1.382 -1.470 -7.741 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -0.192 -0.453 -6.373 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -0.884 -0.138 -7.952 1.00 0.00 H new ATOM 0 HE ARG A 81 -2.689 -1.511 -7.429 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -0.003 -2.123 -5.220 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -0.953 -3.182 -4.172 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -3.903 -2.871 -6.079 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -3.153 -3.603 -4.657 1.00 0.00 H new ATOM 1169 N CYS A 82 -0.055 -3.673 -12.225 1.00 0.00 N ATOM 1170 CA CYS A 82 -0.888 -4.073 -13.353 1.00 0.00 C ATOM 1171 C CYS A 82 -0.519 -5.474 -13.831 1.00 0.00 C ATOM 1172 O CYS A 82 -1.385 -6.334 -13.995 1.00 0.00 O ATOM 1173 CB CYS A 82 -0.741 -3.074 -14.502 1.00 0.00 C ATOM 1174 SG CYS A 82 -1.449 -1.432 -14.156 1.00 0.00 S ATOM 0 H CYS A 82 0.813 -3.206 -12.487 1.00 0.00 H new ATOM 0 HA CYS A 82 -1.926 -4.083 -13.021 1.00 0.00 H new ATOM 0 HB2 CYS A 82 0.317 -2.959 -14.736 1.00 0.00 H new ATOM 0 HB3 CYS A 82 -1.221 -3.485 -15.390 1.00 0.00 H new ATOM 0 HG CYS A 82 -0.807 -0.882 -13.169 1.00 0.00 H new ATOM 1179 N SER A 83 0.773 -5.696 -14.054 1.00 0.00 N ATOM 1180 CA SER A 83 1.257 -6.992 -14.517 1.00 0.00 C ATOM 1181 C SER A 83 0.555 -8.129 -13.780 1.00 0.00 C ATOM 1182 O SER A 83 -0.097 -8.971 -14.396 1.00 0.00 O ATOM 1183 CB SER A 83 2.770 -7.096 -14.316 1.00 0.00 C ATOM 1184 OG SER A 83 3.324 -8.110 -15.135 1.00 0.00 O ATOM 0 H SER A 83 1.503 -4.996 -13.922 1.00 0.00 H new ATOM 0 HA SER A 83 1.032 -7.078 -15.580 1.00 0.00 H new ATOM 0 HB2 SER A 83 3.238 -6.140 -14.549 1.00 0.00 H new ATOM 0 HB3 SER A 83 2.987 -7.310 -13.270 1.00 0.00 H new ATOM 0 HG SER A 83 4.292 -8.155 -14.990 1.00 0.00 H new