USER MOD reduce.3.24.130724 H: found=0, std=0, add=806, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 659 hydrogens (20 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: A 110 RCYH1SA : A 110 RCY C1S : A 10 CYS SG :(H bumps) USER MOD NoAdj-H: A 121 RCYH1SA : A 121 RCY C1S : A 21 CYS SG :(H bumps) USER MOD NoAdj-H: A 130 RCYH1SA : A 130 RCY C1S : A 30 CYS SG :(H bumps) USER MOD NoAdj-H: A 138 RCYH1SA : A 138 RCY C1S : A 38 CYS SG :(H bumps) USER MOD NoAdj-H: A 150 RCYH1SA : A 150 RCY C1S : A 50 CYS SG :(H bumps) USER MOD NoAdj-H: A 150 RCY H1U : A 150 RCY C1U : A 48 GLN OE1 :(H bumps) USER MOD NoAdj-H: A 160 RCYH1SA : A 160 RCY C1S : A 60 CYS SG :(H bumps) USER MOD NoAdj-H: A 160 RCY H1L : A 160 RCY C1L : A 58 GLU O :(H bumps) USER MOD NoAdj-H: A 168 RCYH1ZB : A 168 RCY C1Z : A 187 RCY C1Y :(H bumps) USER MOD NoAdj-H: A 168 RCYH1ZA : A 168 RCY C1Z : A 173 RCY C1U :(H bumps) USER MOD NoAdj-H: A 168 RCYH1SA : A 168 RCY C1S : A 68 CYS SG :(H bumps) USER MOD NoAdj-H: A 173 RCYH1ZB : A 173 RCY C1Z : A 176 RCY C1V :(H bumps) USER MOD NoAdj-H: A 173 RCYH1SA : A 173 RCY C1S : A 73 CYS SG :(H bumps) USER MOD NoAdj-H: A 173 RCY H1Z : A 173 RCY C1Z : A 176 RCY C1V :(H bumps) USER MOD NoAdj-H: A 173 RCY H1U : A 173 RCY C1U : A 168 RCY C1Z :(H bumps) USER MOD NoAdj-H: A 176 RCYH1VA : A 176 RCY C1V : A 173 RCY C1Z :(H bumps) USER MOD NoAdj-H: A 176 RCYH1SA : A 176 RCY C1S : A 76 CYS SG :(H bumps) USER MOD NoAdj-H: A 176 RCYH1LA : A 176 RCY C1L : A 73 CYS SG :(H bumps) USER MOD NoAdj-H: A 176 RCY H1V : A 176 RCY C1V : A 173 RCY C1Z :(H bumps) USER MOD NoAdj-H: A 176 RCY H1L : A 176 RCY C1L : A 75 HIS O :(H bumps) USER MOD NoAdj-H: A 187 RCYH1ZA : A 187 RCY C1Z : A 173 RCY O1G :(H bumps) USER MOD NoAdj-H: A 187 RCYH1YB : A 187 RCY C1Y : A 168 RCY C1Z :(H bumps) USER MOD NoAdj-H: A 187 RCYH1YA : A 187 RCY C1Y : A 168 RCY C1Z :(H bumps) USER MOD NoAdj-H: A 187 RCYH1SA : A 187 RCY C1S : A 87 CYS SG :(H bumps) USER MOD NoAdj-H: A 187 RCY H1Z : A 187 RCY C1Z : A 173 RCY O1G :(H bumps) USER MOD NoAdj-H: A 187 RCY H1M : A 187 RCY C1M : A 168 RCY O1J :(H bumps) USER MOD Set 1.1: A 79 HIS : no HD1:sc= -2.12! C(o=-2.9!,f=-4.6!) USER MOD Set 1.2: A 83 GLN : amide:sc= -0.769 X(o=-2.9,f=-2.9) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -159:sc= -0.041 (180deg=-0.351) USER MOD Single : A 2 ASN :FLIP amide:sc= -1.59 F(o=-5!,f=-1.6) USER MOD Single : A 7 LYS NZ :NH3+ 168:sc= -1.01 (180deg=-1.68) USER MOD Single : A 12 SER OG : rot 180:sc= 0.473 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 22 THR OG1 : rot 180:sc= -0.492 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ -157:sc= -0.0534 (180deg=-0.312) USER MOD Single : A 32 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 34 GLN : amide:sc= -5.87! C(o=-5.9!,f=-8.6!) USER MOD Single : A 35 THR OG1 : rot -43:sc= 0.127! USER MOD Single : A 37 GLN : amide:sc= -0.439 X(o=-0.44,f=-0.6) USER MOD Single : A 39 LYS NZ :NH3+ 162:sc= -0.0102 (180deg=-0.161) USER MOD Single : A 40 SER OG : rot -104:sc= -3.41! USER MOD Single : A 41 LYS NZ :NH3+ 147:sc= -0.184 (180deg=-1.05) USER MOD Single : A 44 LYS NZ :NH3+ -156:sc= -0.176 (180deg=-0.863) USER MOD Single : A 45 LYS NZ :NH3+ 147:sc= -0.163 (180deg=-0.854) USER MOD Single : A 48 GLN : amide:sc= -29.7! C(o=-30!,f=-41!) USER MOD Single : A 57 MET CE :methyl -166:sc= -0.684 (180deg=-0.874) USER MOD Single : A 62 THR OG1 : rot -97:sc= -0.279 USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 ASN : amide:sc= -0.18 K(o=-0.18,f=-2.7!) USER MOD Single : A 75 HIS : no HD1:sc= -0.202 X(o=-0.2,f=-0.51) USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 70.676 -24.133 12.565 1.00 1.00 N ATOM 2 CA MET A 1 70.640 -22.717 13.027 1.00 1.00 C ATOM 3 C MET A 1 71.496 -21.854 12.098 1.00 1.00 C ATOM 4 O MET A 1 71.004 -20.965 11.433 1.00 1.00 O ATOM 5 CB MET A 1 71.193 -22.630 14.451 1.00 1.00 C ATOM 6 CG MET A 1 70.184 -23.234 15.430 1.00 1.00 C ATOM 7 SD MET A 1 70.958 -23.421 17.055 1.00 1.00 S ATOM 8 CE MET A 1 70.311 -21.900 17.791 1.00 1.00 C ATOM 0 H1 MET A 1 69.853 -24.643 12.944 1.00 1.00 H new ATOM 0 H2 MET A 1 70.651 -24.160 11.526 1.00 1.00 H new ATOM 0 H3 MET A 1 71.549 -24.586 12.902 1.00 1.00 H new ATOM 0 HA MET A 1 69.611 -22.358 13.012 1.00 1.00 H new ATOM 0 HB2 MET A 1 72.142 -23.162 14.517 1.00 1.00 H new ATOM 0 HB3 MET A 1 71.391 -21.591 14.712 1.00 1.00 H new ATOM 0 HG2 MET A 1 69.306 -22.593 15.505 1.00 1.00 H new ATOM 0 HG3 MET A 1 69.842 -24.202 15.065 1.00 1.00 H new ATOM 0 HE1 MET A 1 70.670 -21.810 18.816 1.00 1.00 H new ATOM 0 HE2 MET A 1 70.651 -21.042 17.211 1.00 1.00 H new ATOM 0 HE3 MET A 1 69.221 -21.930 17.790 1.00 1.00 H new ATOM 17 N ASN A 2 72.774 -22.110 12.049 1.00 1.00 N ATOM 18 CA ASN A 2 73.664 -21.305 11.165 1.00 1.00 C ATOM 19 C ASN A 2 73.478 -19.817 11.472 1.00 1.00 C ATOM 20 O ASN A 2 73.628 -19.384 12.597 1.00 1.00 O ATOM 21 CB ASN A 2 73.312 -21.577 9.701 1.00 1.00 C ATOM 22 CG ASN A 2 74.441 -21.067 8.803 1.00 1.00 C ATOM 23 OD1 ASN A 2 75.287 -20.192 9.272 1.00 1.00 O flip ATOM 24 ND2 ASN A 2 74.554 -21.470 7.662 1.00 1.00 N flip ATOM 0 H ASN A 2 73.241 -22.843 12.583 1.00 1.00 H new ATOM 0 HA ASN A 2 74.703 -21.583 11.344 1.00 1.00 H new ATOM 0 HB2 ASN A 2 73.162 -22.645 9.544 1.00 1.00 H new ATOM 0 HB3 ASN A 2 72.376 -21.082 9.443 1.00 1.00 H new ATOM 0 HD21 ASN A 2 73.893 -22.154 7.295 1.00 1.00 H new ATOM 0 HD22 ASN A 2 75.310 -21.124 7.071 1.00 1.00 H new ATOM 31 N LEU A 3 73.157 -19.028 10.482 1.00 1.00 N ATOM 32 CA LEU A 3 72.969 -17.570 10.728 1.00 1.00 C ATOM 33 C LEU A 3 71.997 -17.373 11.897 1.00 1.00 C ATOM 34 O LEU A 3 70.952 -17.988 11.962 1.00 1.00 O ATOM 35 CB LEU A 3 72.420 -16.881 9.464 1.00 1.00 C ATOM 36 CG LEU A 3 71.643 -17.893 8.621 1.00 1.00 C ATOM 37 CD1 LEU A 3 70.405 -18.357 9.391 1.00 1.00 C ATOM 38 CD2 LEU A 3 71.208 -17.236 7.309 1.00 1.00 C ATOM 0 H LEU A 3 73.017 -19.329 9.517 1.00 1.00 H new ATOM 0 HA LEU A 3 73.931 -17.122 10.976 1.00 1.00 H new ATOM 0 HB2 LEU A 3 71.771 -16.051 9.743 1.00 1.00 H new ATOM 0 HB3 LEU A 3 73.240 -16.462 8.881 1.00 1.00 H new ATOM 0 HG LEU A 3 72.280 -18.751 8.406 1.00 1.00 H new ATOM 0 HD11 LEU A 3 69.852 -19.078 8.790 1.00 1.00 H new ATOM 0 HD12 LEU A 3 70.712 -18.824 10.326 1.00 1.00 H new ATOM 0 HD13 LEU A 3 69.768 -17.499 9.606 1.00 1.00 H new ATOM 0 HD21 LEU A 3 70.654 -17.957 6.707 1.00 1.00 H new ATOM 0 HD22 LEU A 3 70.571 -16.378 7.525 1.00 1.00 H new ATOM 0 HD23 LEU A 3 72.089 -16.905 6.759 1.00 1.00 H new ATOM 50 N GLU A 4 72.336 -16.521 12.825 1.00 1.00 N ATOM 51 CA GLU A 4 71.435 -16.290 13.989 1.00 1.00 C ATOM 52 C GLU A 4 70.134 -15.632 13.502 1.00 1.00 C ATOM 53 O GLU A 4 70.155 -14.538 12.976 1.00 1.00 O ATOM 54 CB GLU A 4 72.132 -15.365 14.992 1.00 1.00 C ATOM 55 CG GLU A 4 72.467 -14.033 14.318 1.00 1.00 C ATOM 56 CD GLU A 4 71.384 -13.005 14.652 1.00 1.00 C ATOM 57 OE1 GLU A 4 71.111 -12.821 15.827 1.00 1.00 O ATOM 58 OE2 GLU A 4 70.845 -12.420 13.727 1.00 1.00 O ATOM 0 H GLU A 4 73.198 -15.975 12.828 1.00 1.00 H new ATOM 0 HA GLU A 4 71.204 -17.241 14.470 1.00 1.00 H new ATOM 0 HB2 GLU A 4 71.487 -15.195 15.854 1.00 1.00 H new ATOM 0 HB3 GLU A 4 73.043 -15.835 15.363 1.00 1.00 H new ATOM 0 HG2 GLU A 4 73.439 -13.676 14.658 1.00 1.00 H new ATOM 0 HG3 GLU A 4 72.536 -14.167 13.238 1.00 1.00 H new ATOM 65 N PRO A 5 69.007 -16.287 13.666 1.00 1.00 N ATOM 66 CA PRO A 5 67.695 -15.733 13.225 1.00 1.00 C ATOM 67 C PRO A 5 67.540 -14.251 13.594 1.00 1.00 C ATOM 68 O PRO A 5 68.096 -13.791 14.572 1.00 1.00 O ATOM 69 CB PRO A 5 66.675 -16.587 13.979 1.00 1.00 C ATOM 70 CG PRO A 5 67.354 -17.901 14.189 1.00 1.00 C ATOM 71 CD PRO A 5 68.857 -17.615 14.284 1.00 1.00 C ATOM 0 HA PRO A 5 67.577 -15.770 12.142 1.00 1.00 H new ATOM 0 HB2 PRO A 5 66.400 -16.128 14.929 1.00 1.00 H new ATOM 0 HB3 PRO A 5 65.756 -16.704 13.404 1.00 1.00 H new ATOM 0 HG2 PRO A 5 66.994 -18.381 15.099 1.00 1.00 H new ATOM 0 HG3 PRO A 5 67.142 -18.582 13.364 1.00 1.00 H new ATOM 0 HD2 PRO A 5 69.198 -17.614 15.319 1.00 1.00 H new ATOM 0 HD3 PRO A 5 69.441 -18.369 13.756 1.00 1.00 H new ATOM 79 N PRO A 6 66.790 -13.509 12.819 1.00 1.00 N ATOM 80 CA PRO A 6 66.563 -12.056 13.074 1.00 1.00 C ATOM 81 C PRO A 6 65.634 -11.818 14.270 1.00 1.00 C ATOM 82 O PRO A 6 64.872 -12.681 14.657 1.00 1.00 O ATOM 83 CB PRO A 6 65.911 -11.559 11.781 1.00 1.00 C ATOM 84 CG PRO A 6 65.238 -12.759 11.201 1.00 1.00 C ATOM 85 CD PRO A 6 66.074 -13.972 11.619 1.00 1.00 C ATOM 0 HA PRO A 6 67.489 -11.537 13.322 1.00 1.00 H new ATOM 0 HB2 PRO A 6 65.194 -10.763 11.981 1.00 1.00 H new ATOM 0 HB3 PRO A 6 66.654 -11.153 11.095 1.00 1.00 H new ATOM 0 HG2 PRO A 6 64.216 -12.847 11.570 1.00 1.00 H new ATOM 0 HG3 PRO A 6 65.180 -12.684 10.115 1.00 1.00 H new ATOM 0 HD2 PRO A 6 65.445 -14.835 11.837 1.00 1.00 H new ATOM 0 HD3 PRO A 6 66.765 -14.272 10.831 1.00 1.00 H new ATOM 93 N LYS A 7 65.692 -10.649 14.853 1.00 1.00 N ATOM 94 CA LYS A 7 64.814 -10.341 16.021 1.00 1.00 C ATOM 95 C LYS A 7 64.041 -9.049 15.744 1.00 1.00 C ATOM 96 O LYS A 7 63.083 -8.729 16.418 1.00 1.00 O ATOM 97 CB LYS A 7 65.678 -10.159 17.275 1.00 1.00 C ATOM 98 CG LYS A 7 64.800 -10.252 18.524 1.00 1.00 C ATOM 99 CD LYS A 7 64.775 -11.698 19.025 1.00 1.00 C ATOM 100 CE LYS A 7 66.137 -12.055 19.623 1.00 1.00 C ATOM 101 NZ LYS A 7 66.789 -10.821 20.145 1.00 1.00 N ATOM 0 H LYS A 7 66.313 -9.891 14.569 1.00 1.00 H new ATOM 0 HA LYS A 7 64.113 -11.161 16.179 1.00 1.00 H new ATOM 0 HB2 LYS A 7 66.455 -10.923 17.307 1.00 1.00 H new ATOM 0 HB3 LYS A 7 66.182 -9.193 17.244 1.00 1.00 H new ATOM 0 HG2 LYS A 7 65.185 -9.593 19.302 1.00 1.00 H new ATOM 0 HG3 LYS A 7 63.788 -9.918 18.296 1.00 1.00 H new ATOM 0 HD2 LYS A 7 63.993 -11.821 19.775 1.00 1.00 H new ATOM 0 HD3 LYS A 7 64.538 -12.374 18.204 1.00 1.00 H new ATOM 0 HE2 LYS A 7 66.014 -12.782 20.426 1.00 1.00 H new ATOM 0 HE3 LYS A 7 66.768 -12.520 18.866 1.00 1.00 H new ATOM 0 HZ1 LYS A 7 67.610 -11.082 20.727 1.00 1.00 H new ATOM 0 HZ2 LYS A 7 67.103 -10.231 19.348 1.00 1.00 H new ATOM 0 HZ3 LYS A 7 66.110 -10.288 20.725 1.00 1.00 H new ATOM 115 N ALA A 8 64.452 -8.305 14.753 1.00 1.00 N ATOM 116 CA ALA A 8 63.742 -7.034 14.430 1.00 1.00 C ATOM 117 C ALA A 8 62.264 -7.326 14.164 1.00 1.00 C ATOM 118 O ALA A 8 61.911 -8.359 13.630 1.00 1.00 O ATOM 119 CB ALA A 8 64.369 -6.403 13.185 1.00 1.00 C ATOM 0 H ALA A 8 65.248 -8.522 14.153 1.00 1.00 H new ATOM 0 HA ALA A 8 63.830 -6.346 15.271 1.00 1.00 H new ATOM 0 HB1 ALA A 8 63.851 -5.474 12.948 1.00 1.00 H new ATOM 0 HB2 ALA A 8 65.422 -6.193 13.374 1.00 1.00 H new ATOM 0 HB3 ALA A 8 64.282 -7.092 12.345 1.00 1.00 H new ATOM 125 N GLU A 9 61.397 -6.422 14.532 1.00 1.00 N ATOM 126 CA GLU A 9 59.941 -6.643 14.301 1.00 1.00 C ATOM 127 C GLU A 9 59.183 -5.339 14.563 1.00 1.00 C ATOM 128 O GLU A 9 58.167 -5.323 15.229 1.00 1.00 O ATOM 129 CB GLU A 9 59.431 -7.733 15.250 1.00 1.00 C ATOM 130 CG GLU A 9 58.083 -8.257 14.751 1.00 1.00 C ATOM 131 CD GLU A 9 58.298 -9.106 13.496 1.00 1.00 C ATOM 132 OE1 GLU A 9 59.120 -10.006 13.547 1.00 1.00 O ATOM 133 OE2 GLU A 9 57.637 -8.840 12.505 1.00 1.00 O ATOM 0 H GLU A 9 61.635 -5.539 14.983 1.00 1.00 H new ATOM 0 HA GLU A 9 59.779 -6.958 13.270 1.00 1.00 H new ATOM 0 HB2 GLU A 9 60.152 -8.549 15.305 1.00 1.00 H new ATOM 0 HB3 GLU A 9 59.326 -7.332 16.258 1.00 1.00 H new ATOM 0 HG2 GLU A 9 57.602 -8.852 15.527 1.00 1.00 H new ATOM 0 HG3 GLU A 9 57.416 -7.424 14.529 1.00 1.00 H new ATOM 140 N CYS A 10 59.671 -4.244 14.043 1.00 1.00 N ATOM 141 CA CYS A 10 58.980 -2.941 14.260 1.00 1.00 C ATOM 142 C CYS A 10 58.000 -2.689 13.113 1.00 1.00 C ATOM 143 O CYS A 10 58.024 -3.366 12.105 1.00 1.00 O ATOM 144 CB CYS A 10 60.017 -1.815 14.302 1.00 1.00 C ATOM 145 SG CYS A 10 60.849 -1.821 15.909 1.00 1.00 S ATOM 0 H CYS A 10 60.518 -4.196 13.477 1.00 1.00 H new ATOM 0 HA CYS A 10 58.436 -2.969 15.204 1.00 1.00 H new ATOM 0 HB2 CYS A 10 60.746 -1.947 13.503 1.00 1.00 H new ATOM 0 HB3 CYS A 10 59.532 -0.853 14.135 1.00 1.00 H new ATOM 150 N ARG A 11 57.138 -1.719 13.256 1.00 1.00 N ATOM 151 CA ARG A 11 56.158 -1.426 12.171 1.00 1.00 C ATOM 152 C ARG A 11 55.417 -2.714 11.796 1.00 1.00 C ATOM 153 O ARG A 11 54.358 -3.006 12.317 1.00 1.00 O ATOM 154 CB ARG A 11 56.905 -0.879 10.944 1.00 1.00 C ATOM 155 CG ARG A 11 56.747 0.642 10.884 1.00 1.00 C ATOM 156 CD ARG A 11 55.376 0.990 10.301 1.00 1.00 C ATOM 157 NE ARG A 11 55.384 2.402 9.824 1.00 1.00 N ATOM 158 CZ ARG A 11 55.849 2.688 8.639 1.00 1.00 C ATOM 159 NH1 ARG A 11 56.308 1.737 7.871 1.00 1.00 N ATOM 160 NH2 ARG A 11 55.856 3.924 8.221 1.00 1.00 N ATOM 0 H ARG A 11 57.070 -1.117 14.077 1.00 1.00 H new ATOM 0 HA ARG A 11 55.438 -0.683 12.515 1.00 1.00 H new ATOM 0 HB2 ARG A 11 57.961 -1.143 11.001 1.00 1.00 H new ATOM 0 HB3 ARG A 11 56.511 -1.332 10.034 1.00 1.00 H new ATOM 0 HG2 ARG A 11 56.848 1.068 11.882 1.00 1.00 H new ATOM 0 HG3 ARG A 11 57.536 1.076 10.270 1.00 1.00 H new ATOM 0 HD2 ARG A 11 55.138 0.318 9.477 1.00 1.00 H new ATOM 0 HD3 ARG A 11 54.602 0.854 11.057 1.00 1.00 H new ATOM 0 HE ARG A 11 55.026 3.145 10.424 1.00 1.00 H new ATOM 0 HH11 ARG A 11 56.303 0.771 8.198 1.00 1.00 H new ATOM 0 HH12 ARG A 11 56.672 1.960 6.945 1.00 1.00 H new ATOM 0 HH21 ARG A 11 55.498 4.667 8.821 1.00 1.00 H new ATOM 0 HH22 ARG A 11 56.220 4.147 7.294 1.00 1.00 H new ATOM 174 N SER A 12 55.964 -3.484 10.897 1.00 1.00 N ATOM 175 CA SER A 12 55.292 -4.749 10.489 1.00 1.00 C ATOM 176 C SER A 12 56.265 -5.597 9.668 1.00 1.00 C ATOM 177 O SER A 12 56.949 -6.455 10.190 1.00 1.00 O ATOM 178 CB SER A 12 54.060 -4.423 9.644 1.00 1.00 C ATOM 179 OG SER A 12 54.411 -3.469 8.652 1.00 1.00 O ATOM 0 H SER A 12 56.848 -3.292 10.427 1.00 1.00 H new ATOM 0 HA SER A 12 54.985 -5.302 11.377 1.00 1.00 H new ATOM 0 HB2 SER A 12 53.677 -5.329 9.174 1.00 1.00 H new ATOM 0 HB3 SER A 12 53.264 -4.031 10.277 1.00 1.00 H new ATOM 0 HG SER A 12 53.624 -3.259 8.107 1.00 1.00 H new ATOM 185 N ALA A 13 56.334 -5.361 8.387 1.00 1.00 N ATOM 186 CA ALA A 13 57.266 -6.151 7.532 1.00 1.00 C ATOM 187 C ALA A 13 57.121 -7.640 7.856 1.00 1.00 C ATOM 188 O ALA A 13 57.950 -8.222 8.527 1.00 1.00 O ATOM 189 CB ALA A 13 58.705 -5.709 7.804 1.00 1.00 C ATOM 0 H ALA A 13 55.786 -4.656 7.895 1.00 1.00 H new ATOM 0 HA ALA A 13 57.025 -5.983 6.482 1.00 1.00 H new ATOM 0 HB1 ALA A 13 59.387 -6.286 7.179 1.00 1.00 H new ATOM 0 HB2 ALA A 13 58.810 -4.649 7.573 1.00 1.00 H new ATOM 0 HB3 ALA A 13 58.945 -5.877 8.854 1.00 1.00 H new ATOM 195 N THR A 14 56.075 -8.261 7.385 1.00 1.00 N ATOM 196 CA THR A 14 55.884 -9.711 7.667 1.00 1.00 C ATOM 197 C THR A 14 56.968 -10.514 6.945 1.00 1.00 C ATOM 198 O THR A 14 57.255 -11.642 7.293 1.00 1.00 O ATOM 199 CB THR A 14 54.502 -10.150 7.176 1.00 1.00 C ATOM 200 OG1 THR A 14 54.397 -11.564 7.265 1.00 1.00 O ATOM 201 CG2 THR A 14 54.312 -9.712 5.723 1.00 1.00 C ATOM 0 H THR A 14 55.346 -7.828 6.818 1.00 1.00 H new ATOM 0 HA THR A 14 55.956 -9.888 8.740 1.00 1.00 H new ATOM 0 HB THR A 14 53.732 -9.689 7.795 1.00 1.00 H new ATOM 0 HG1 THR A 14 53.512 -11.847 6.952 1.00 1.00 H new ATOM 0 HG21 THR A 14 53.328 -10.025 5.374 1.00 1.00 H new ATOM 0 HG22 THR A 14 54.392 -8.627 5.657 1.00 1.00 H new ATOM 0 HG23 THR A 14 55.080 -10.171 5.101 1.00 1.00 H new ATOM 209 N ARG A 15 57.578 -9.938 5.943 1.00 1.00 N ATOM 210 CA ARG A 15 58.649 -10.664 5.202 1.00 1.00 C ATOM 211 C ARG A 15 59.671 -9.658 4.670 1.00 1.00 C ATOM 212 O ARG A 15 59.619 -9.248 3.528 1.00 1.00 O ATOM 213 CB ARG A 15 58.035 -11.441 4.031 1.00 1.00 C ATOM 214 CG ARG A 15 57.209 -10.494 3.158 1.00 1.00 C ATOM 215 CD ARG A 15 57.701 -10.571 1.712 1.00 1.00 C ATOM 216 NE ARG A 15 57.572 -11.971 1.218 1.00 1.00 N ATOM 217 CZ ARG A 15 56.392 -12.467 0.964 1.00 1.00 C ATOM 218 NH1 ARG A 15 55.325 -11.737 1.143 1.00 1.00 N ATOM 219 NH2 ARG A 15 56.279 -13.693 0.530 1.00 1.00 N ATOM 0 H ARG A 15 57.380 -8.996 5.606 1.00 1.00 H new ATOM 0 HA ARG A 15 59.143 -11.364 5.876 1.00 1.00 H new ATOM 0 HB2 ARG A 15 58.823 -11.904 3.437 1.00 1.00 H new ATOM 0 HB3 ARG A 15 57.404 -12.246 4.408 1.00 1.00 H new ATOM 0 HG2 ARG A 15 56.154 -10.763 3.209 1.00 1.00 H new ATOM 0 HG3 ARG A 15 57.296 -9.473 3.529 1.00 1.00 H new ATOM 0 HD2 ARG A 15 57.120 -9.897 1.082 1.00 1.00 H new ATOM 0 HD3 ARG A 15 58.740 -10.247 1.652 1.00 1.00 H new ATOM 0 HE ARG A 15 58.406 -12.542 1.078 1.00 1.00 H new ATOM 0 HH11 ARG A 15 55.413 -10.779 1.481 1.00 1.00 H new ATOM 0 HH12 ARG A 15 54.403 -12.125 0.944 1.00 1.00 H new ATOM 0 HH21 ARG A 15 57.113 -14.263 0.389 1.00 1.00 H new ATOM 0 HH22 ARG A 15 55.357 -14.081 0.331 1.00 1.00 H new ATOM 233 N VAL A 16 60.604 -9.257 5.490 1.00 1.00 N ATOM 234 CA VAL A 16 61.629 -8.280 5.029 1.00 1.00 C ATOM 235 C VAL A 16 62.210 -8.747 3.694 1.00 1.00 C ATOM 236 O VAL A 16 62.788 -7.977 2.953 1.00 1.00 O ATOM 237 CB VAL A 16 62.747 -8.186 6.068 1.00 1.00 C ATOM 238 CG1 VAL A 16 62.173 -7.680 7.393 1.00 1.00 C ATOM 239 CG2 VAL A 16 63.365 -9.570 6.277 1.00 1.00 C ATOM 0 H VAL A 16 60.700 -9.564 6.458 1.00 1.00 H new ATOM 0 HA VAL A 16 61.169 -7.300 4.903 1.00 1.00 H new ATOM 0 HB VAL A 16 63.512 -7.494 5.716 1.00 1.00 H new ATOM 0 HG11 VAL A 16 62.970 -7.613 8.133 1.00 1.00 H new ATOM 0 HG12 VAL A 16 61.731 -6.694 7.245 1.00 1.00 H new ATOM 0 HG13 VAL A 16 61.408 -8.371 7.746 1.00 1.00 H new ATOM 0 HG21 VAL A 16 64.162 -9.504 7.017 1.00 1.00 H new ATOM 0 HG22 VAL A 16 62.599 -10.261 6.629 1.00 1.00 H new ATOM 0 HG23 VAL A 16 63.775 -9.932 5.334 1.00 1.00 H new ATOM 249 N MET A 17 62.058 -10.005 3.380 1.00 1.00 N ATOM 250 CA MET A 17 62.597 -10.522 2.091 1.00 1.00 C ATOM 251 C MET A 17 61.743 -9.990 0.937 1.00 1.00 C ATOM 252 O MET A 17 61.583 -10.634 -0.081 1.00 1.00 O ATOM 253 CB MET A 17 62.554 -12.054 2.101 1.00 1.00 C ATOM 254 CG MET A 17 63.535 -12.600 1.062 1.00 1.00 C ATOM 255 SD MET A 17 65.230 -12.370 1.652 1.00 1.00 S ATOM 256 CE MET A 17 65.381 -13.946 2.529 1.00 1.00 C ATOM 0 H MET A 17 61.584 -10.697 3.961 1.00 1.00 H new ATOM 0 HA MET A 17 63.627 -10.190 1.963 1.00 1.00 H new ATOM 0 HB2 MET A 17 62.811 -12.429 3.092 1.00 1.00 H new ATOM 0 HB3 MET A 17 61.544 -12.401 1.881 1.00 1.00 H new ATOM 0 HG2 MET A 17 63.341 -13.658 0.884 1.00 1.00 H new ATOM 0 HG3 MET A 17 63.397 -12.086 0.111 1.00 1.00 H new ATOM 0 HE1 MET A 17 66.371 -14.018 2.980 1.00 1.00 H new ATOM 0 HE2 MET A 17 64.622 -14.003 3.309 1.00 1.00 H new ATOM 0 HE3 MET A 17 65.242 -14.768 1.827 1.00 1.00 H new ATOM 266 N GLY A 18 61.192 -8.816 1.090 1.00 1.00 N ATOM 267 CA GLY A 18 60.348 -8.239 0.007 1.00 1.00 C ATOM 268 C GLY A 18 59.523 -7.082 0.570 1.00 1.00 C ATOM 269 O GLY A 18 59.653 -5.950 0.148 1.00 1.00 O ATOM 0 H GLY A 18 61.291 -8.232 1.920 1.00 1.00 H new ATOM 0 HA2 GLY A 18 60.977 -7.888 -0.811 1.00 1.00 H new ATOM 0 HA3 GLY A 18 59.689 -9.005 -0.403 1.00 1.00 H new ATOM 273 N GLY A 19 58.674 -7.355 1.524 1.00 1.00 N ATOM 274 CA GLY A 19 57.844 -6.269 2.116 1.00 1.00 C ATOM 275 C GLY A 19 56.736 -5.879 1.136 1.00 1.00 C ATOM 276 O GLY A 19 56.461 -6.582 0.184 1.00 1.00 O ATOM 0 H GLY A 19 58.520 -8.283 1.918 1.00 1.00 H new ATOM 0 HA2 GLY A 19 57.409 -6.602 3.058 1.00 1.00 H new ATOM 0 HA3 GLY A 19 58.466 -5.403 2.341 1.00 1.00 H new ATOM 280 N PRO A 20 56.104 -4.761 1.373 1.00 1.00 N ATOM 281 CA PRO A 20 55.001 -4.255 0.504 1.00 1.00 C ATOM 282 C PRO A 20 55.391 -4.241 -0.978 1.00 1.00 C ATOM 283 O PRO A 20 54.575 -4.484 -1.845 1.00 1.00 O ATOM 284 CB PRO A 20 54.760 -2.830 1.013 1.00 1.00 C ATOM 285 CG PRO A 20 55.238 -2.831 2.427 1.00 1.00 C ATOM 286 CD PRO A 20 56.372 -3.855 2.502 1.00 1.00 C ATOM 0 HA PRO A 20 54.117 -4.890 0.560 1.00 1.00 H new ATOM 0 HB2 PRO A 20 55.305 -2.101 0.414 1.00 1.00 H new ATOM 0 HB3 PRO A 20 53.704 -2.565 0.955 1.00 1.00 H new ATOM 0 HG2 PRO A 20 55.589 -1.841 2.718 1.00 1.00 H new ATOM 0 HG3 PRO A 20 54.430 -3.096 3.109 1.00 1.00 H new ATOM 0 HD2 PRO A 20 57.348 -3.378 2.409 1.00 1.00 H new ATOM 0 HD3 PRO A 20 56.367 -4.388 3.453 1.00 1.00 H new ATOM 294 N CYS A 21 56.633 -3.959 -1.273 1.00 1.00 N ATOM 295 CA CYS A 21 57.079 -3.929 -2.697 1.00 1.00 C ATOM 296 C CYS A 21 57.952 -5.152 -2.984 1.00 1.00 C ATOM 297 O CYS A 21 58.657 -5.640 -2.123 1.00 1.00 O ATOM 298 CB CYS A 21 57.883 -2.650 -2.952 1.00 1.00 C ATOM 299 SG CYS A 21 59.594 -2.892 -2.412 1.00 1.00 S ATOM 0 H CYS A 21 57.359 -3.748 -0.588 1.00 1.00 H new ATOM 0 HA CYS A 21 56.208 -3.946 -3.353 1.00 1.00 H new ATOM 0 HB2 CYS A 21 57.858 -2.398 -4.012 1.00 1.00 H new ATOM 0 HB3 CYS A 21 57.436 -1.814 -2.414 1.00 1.00 H new ATOM 304 N THR A 22 57.910 -5.654 -4.189 1.00 1.00 N ATOM 305 CA THR A 22 58.736 -6.847 -4.528 1.00 1.00 C ATOM 306 C THR A 22 60.148 -6.393 -4.924 1.00 1.00 C ATOM 307 O THR A 22 60.322 -5.330 -5.486 1.00 1.00 O ATOM 308 CB THR A 22 58.094 -7.588 -5.703 1.00 1.00 C ATOM 309 OG1 THR A 22 59.022 -8.522 -6.235 1.00 1.00 O ATOM 310 CG2 THR A 22 57.698 -6.584 -6.787 1.00 1.00 C ATOM 0 H THR A 22 57.340 -5.289 -4.952 1.00 1.00 H new ATOM 0 HA THR A 22 58.794 -7.509 -3.664 1.00 1.00 H new ATOM 0 HB THR A 22 57.205 -8.115 -5.358 1.00 1.00 H new ATOM 0 HG1 THR A 22 58.612 -8.999 -6.987 1.00 1.00 H new ATOM 0 HG21 THR A 22 57.241 -7.113 -7.623 1.00 1.00 H new ATOM 0 HG22 THR A 22 56.985 -5.868 -6.377 1.00 1.00 H new ATOM 0 HG23 THR A 22 58.585 -6.054 -7.134 1.00 1.00 H new ATOM 318 N PRO A 23 61.151 -7.190 -4.641 1.00 1.00 N ATOM 319 CA PRO A 23 62.562 -6.850 -4.988 1.00 1.00 C ATOM 320 C PRO A 23 62.706 -6.412 -6.451 1.00 1.00 C ATOM 321 O PRO A 23 61.731 -6.236 -7.154 1.00 1.00 O ATOM 322 CB PRO A 23 63.327 -8.155 -4.745 1.00 1.00 C ATOM 323 CG PRO A 23 62.508 -8.913 -3.752 1.00 1.00 C ATOM 324 CD PRO A 23 61.051 -8.493 -3.964 1.00 1.00 C ATOM 0 HA PRO A 23 62.933 -6.014 -4.395 1.00 1.00 H new ATOM 0 HB2 PRO A 23 63.445 -8.720 -5.670 1.00 1.00 H new ATOM 0 HB3 PRO A 23 64.328 -7.958 -4.361 1.00 1.00 H new ATOM 0 HG2 PRO A 23 62.625 -9.987 -3.895 1.00 1.00 H new ATOM 0 HG3 PRO A 23 62.830 -8.690 -2.735 1.00 1.00 H new ATOM 0 HD2 PRO A 23 60.511 -9.218 -4.572 1.00 1.00 H new ATOM 0 HD3 PRO A 23 60.517 -8.411 -3.017 1.00 1.00 H new ATOM 332 N ARG A 24 63.916 -6.239 -6.914 1.00 1.00 N ATOM 333 CA ARG A 24 64.123 -5.818 -8.331 1.00 1.00 C ATOM 334 C ARG A 24 64.409 -7.055 -9.188 1.00 1.00 C ATOM 335 O ARG A 24 64.734 -8.110 -8.681 1.00 1.00 O ATOM 336 CB ARG A 24 65.310 -4.851 -8.408 1.00 1.00 C ATOM 337 CG ARG A 24 65.203 -4.011 -9.682 1.00 1.00 C ATOM 338 CD ARG A 24 66.473 -3.176 -9.852 1.00 1.00 C ATOM 339 NE ARG A 24 66.127 -1.864 -10.467 1.00 1.00 N ATOM 340 CZ ARG A 24 65.846 -1.793 -11.739 1.00 1.00 C ATOM 341 NH1 ARG A 24 65.869 -2.872 -12.473 1.00 1.00 N ATOM 342 NH2 ARG A 24 65.543 -0.644 -12.278 1.00 1.00 N ATOM 0 H ARG A 24 64.770 -6.371 -6.372 1.00 1.00 H new ATOM 0 HA ARG A 24 63.228 -5.318 -8.701 1.00 1.00 H new ATOM 0 HB2 ARG A 24 65.322 -4.202 -7.532 1.00 1.00 H new ATOM 0 HB3 ARG A 24 66.247 -5.408 -8.405 1.00 1.00 H new ATOM 0 HG2 ARG A 24 65.063 -4.659 -10.547 1.00 1.00 H new ATOM 0 HG3 ARG A 24 64.331 -3.359 -9.628 1.00 1.00 H new ATOM 0 HD2 ARG A 24 66.951 -3.021 -8.885 1.00 1.00 H new ATOM 0 HD3 ARG A 24 67.188 -3.707 -10.480 1.00 1.00 H new ATOM 0 HE ARG A 24 66.110 -1.021 -9.893 1.00 1.00 H new ATOM 0 HH11 ARG A 24 66.107 -3.770 -12.052 1.00 1.00 H new ATOM 0 HH12 ARG A 24 65.649 -2.817 -13.468 1.00 1.00 H new ATOM 0 HH21 ARG A 24 65.526 0.200 -11.705 1.00 1.00 H new ATOM 0 HH22 ARG A 24 65.323 -0.589 -13.273 1.00 1.00 H new ATOM 356 N LYS A 25 64.287 -6.935 -10.481 1.00 1.00 N ATOM 357 CA LYS A 25 64.548 -8.106 -11.366 1.00 1.00 C ATOM 358 C LYS A 25 66.035 -8.464 -11.322 1.00 1.00 C ATOM 359 O LYS A 25 66.401 -9.596 -11.073 1.00 1.00 O ATOM 360 CB LYS A 25 64.146 -7.760 -12.803 1.00 1.00 C ATOM 361 CG LYS A 25 62.660 -7.397 -12.847 1.00 1.00 C ATOM 362 CD LYS A 25 61.826 -8.674 -12.970 1.00 1.00 C ATOM 363 CE LYS A 25 60.339 -8.320 -12.918 1.00 1.00 C ATOM 364 NZ LYS A 25 59.572 -9.474 -12.369 1.00 1.00 N ATOM 0 H LYS A 25 64.018 -6.077 -10.963 1.00 1.00 H new ATOM 0 HA LYS A 25 63.963 -8.958 -11.020 1.00 1.00 H new ATOM 0 HB2 LYS A 25 64.745 -6.926 -13.168 1.00 1.00 H new ATOM 0 HB3 LYS A 25 64.344 -8.607 -13.461 1.00 1.00 H new ATOM 0 HG2 LYS A 25 62.381 -6.853 -11.945 1.00 1.00 H new ATOM 0 HG3 LYS A 25 62.461 -6.737 -13.691 1.00 1.00 H new ATOM 0 HD2 LYS A 25 62.057 -9.183 -13.906 1.00 1.00 H new ATOM 0 HD3 LYS A 25 62.075 -9.363 -12.163 1.00 1.00 H new ATOM 0 HE2 LYS A 25 60.186 -7.439 -12.295 1.00 1.00 H new ATOM 0 HE3 LYS A 25 59.978 -8.072 -13.916 1.00 1.00 H new ATOM 0 HZ1 LYS A 25 58.561 -9.233 -12.334 1.00 1.00 H new ATOM 0 HZ2 LYS A 25 59.709 -10.304 -12.980 1.00 1.00 H new ATOM 0 HZ3 LYS A 25 59.910 -9.691 -11.410 1.00 1.00 H new ATOM 378 N GLY A 26 66.898 -7.514 -11.562 1.00 1.00 N ATOM 379 CA GLY A 26 68.358 -7.813 -11.532 1.00 1.00 C ATOM 380 C GLY A 26 69.145 -6.524 -11.271 1.00 1.00 C ATOM 381 O GLY A 26 68.632 -5.434 -11.430 1.00 1.00 O ATOM 0 H GLY A 26 66.656 -6.547 -11.777 1.00 1.00 H new ATOM 0 HA2 GLY A 26 68.573 -8.545 -10.754 1.00 1.00 H new ATOM 0 HA3 GLY A 26 68.668 -8.254 -12.479 1.00 1.00 H new ATOM 385 N PRO A 27 70.386 -6.651 -10.875 1.00 1.00 N ATOM 386 CA PRO A 27 71.266 -5.481 -10.587 1.00 1.00 C ATOM 387 C PRO A 27 71.167 -4.396 -11.672 1.00 1.00 C ATOM 388 O PRO A 27 70.745 -4.660 -12.780 1.00 1.00 O ATOM 389 CB PRO A 27 72.672 -6.087 -10.562 1.00 1.00 C ATOM 390 CG PRO A 27 72.478 -7.515 -10.170 1.00 1.00 C ATOM 391 CD PRO A 27 71.087 -7.928 -10.659 1.00 1.00 C ATOM 0 HA PRO A 27 70.988 -4.982 -9.659 1.00 1.00 H new ATOM 0 HB2 PRO A 27 73.152 -6.009 -11.538 1.00 1.00 H new ATOM 0 HB3 PRO A 27 73.312 -5.567 -9.849 1.00 1.00 H new ATOM 0 HG2 PRO A 27 73.247 -8.145 -10.617 1.00 1.00 H new ATOM 0 HG3 PRO A 27 72.558 -7.633 -9.089 1.00 1.00 H new ATOM 0 HD2 PRO A 27 71.145 -8.511 -11.578 1.00 1.00 H new ATOM 0 HD3 PRO A 27 70.573 -8.545 -9.922 1.00 1.00 H new ATOM 399 N PRO A 28 71.557 -3.185 -11.355 1.00 1.00 N ATOM 400 CA PRO A 28 71.516 -2.048 -12.319 1.00 1.00 C ATOM 401 C PRO A 28 72.033 -2.440 -13.707 1.00 1.00 C ATOM 402 O PRO A 28 72.663 -3.464 -13.880 1.00 1.00 O ATOM 403 CB PRO A 28 72.435 -1.004 -11.682 1.00 1.00 C ATOM 404 CG PRO A 28 72.367 -1.271 -10.214 1.00 1.00 C ATOM 405 CD PRO A 28 72.081 -2.767 -10.044 1.00 1.00 C ATOM 0 HA PRO A 28 70.498 -1.694 -12.484 1.00 1.00 H new ATOM 0 HB2 PRO A 28 73.456 -1.098 -12.053 1.00 1.00 H new ATOM 0 HB3 PRO A 28 72.103 0.008 -11.915 1.00 1.00 H new ATOM 0 HG2 PRO A 28 73.305 -1.000 -9.729 1.00 1.00 H new ATOM 0 HG3 PRO A 28 71.583 -0.673 -9.749 1.00 1.00 H new ATOM 0 HD2 PRO A 28 72.984 -3.318 -9.782 1.00 1.00 H new ATOM 0 HD3 PRO A 28 71.356 -2.946 -9.250 1.00 1.00 H new ATOM 413 N LYS A 29 71.772 -1.629 -14.697 1.00 1.00 N ATOM 414 CA LYS A 29 72.249 -1.951 -16.073 1.00 1.00 C ATOM 415 C LYS A 29 73.645 -1.360 -16.283 1.00 1.00 C ATOM 416 O LYS A 29 73.793 -0.230 -16.705 1.00 1.00 O ATOM 417 CB LYS A 29 71.287 -1.352 -17.099 1.00 1.00 C ATOM 418 CG LYS A 29 71.703 -1.790 -18.505 1.00 1.00 C ATOM 419 CD LYS A 29 70.578 -1.471 -19.492 1.00 1.00 C ATOM 420 CE LYS A 29 70.197 0.006 -19.374 1.00 1.00 C ATOM 421 NZ LYS A 29 69.468 0.430 -20.602 1.00 1.00 N ATOM 0 H LYS A 29 71.249 -0.757 -14.612 1.00 1.00 H new ATOM 0 HA LYS A 29 72.289 -3.033 -16.197 1.00 1.00 H new ATOM 0 HB2 LYS A 29 70.268 -1.678 -16.892 1.00 1.00 H new ATOM 0 HB3 LYS A 29 71.294 -0.264 -17.028 1.00 1.00 H new ATOM 0 HG2 LYS A 29 72.618 -1.277 -18.802 1.00 1.00 H new ATOM 0 HG3 LYS A 29 71.919 -2.858 -18.516 1.00 1.00 H new ATOM 0 HD2 LYS A 29 70.899 -1.694 -20.510 1.00 1.00 H new ATOM 0 HD3 LYS A 29 69.711 -2.098 -19.286 1.00 1.00 H new ATOM 0 HE2 LYS A 29 69.572 0.162 -18.495 1.00 1.00 H new ATOM 0 HE3 LYS A 29 71.092 0.614 -19.241 1.00 1.00 H new ATOM 0 HZ1 LYS A 29 69.209 1.434 -20.523 1.00 1.00 H new ATOM 0 HZ2 LYS A 29 70.079 0.295 -21.433 1.00 1.00 H new ATOM 0 HZ3 LYS A 29 68.606 -0.143 -20.709 1.00 1.00 H new ATOM 435 N CYS A 30 74.668 -2.115 -15.996 1.00 1.00 N ATOM 436 CA CYS A 30 76.053 -1.599 -16.182 1.00 1.00 C ATOM 437 C CYS A 30 77.056 -2.674 -15.760 1.00 1.00 C ATOM 438 O CYS A 30 78.030 -2.929 -16.439 1.00 1.00 O ATOM 439 CB CYS A 30 76.253 -0.343 -15.325 1.00 1.00 C ATOM 440 SG CYS A 30 76.187 1.125 -16.381 1.00 1.00 S ATOM 0 H CYS A 30 74.605 -3.069 -15.640 1.00 1.00 H new ATOM 0 HA CYS A 30 76.210 -1.347 -17.231 1.00 1.00 H new ATOM 0 HB2 CYS A 30 75.481 -0.287 -14.557 1.00 1.00 H new ATOM 0 HB3 CYS A 30 77.212 -0.390 -14.810 1.00 1.00 H new ATOM 445 N LYS A 31 76.822 -3.302 -14.643 1.00 1.00 N ATOM 446 CA LYS A 31 77.758 -4.361 -14.167 1.00 1.00 C ATOM 447 C LYS A 31 79.150 -3.755 -13.974 1.00 1.00 C ATOM 448 O LYS A 31 80.062 -4.410 -13.510 1.00 1.00 O ATOM 449 CB LYS A 31 77.848 -5.490 -15.204 1.00 1.00 C ATOM 450 CG LYS A 31 76.446 -5.855 -15.696 1.00 1.00 C ATOM 451 CD LYS A 31 76.510 -6.253 -17.172 1.00 1.00 C ATOM 452 CE LYS A 31 75.333 -7.171 -17.505 1.00 1.00 C ATOM 453 NZ LYS A 31 75.573 -8.520 -16.919 1.00 1.00 N ATOM 0 H LYS A 31 76.021 -3.128 -14.036 1.00 1.00 H new ATOM 0 HA LYS A 31 77.388 -4.764 -13.224 1.00 1.00 H new ATOM 0 HB2 LYS A 31 78.468 -5.176 -16.044 1.00 1.00 H new ATOM 0 HB3 LYS A 31 78.328 -6.364 -14.763 1.00 1.00 H new ATOM 0 HG2 LYS A 31 76.044 -6.677 -15.104 1.00 1.00 H new ATOM 0 HG3 LYS A 31 75.772 -5.009 -15.566 1.00 1.00 H new ATOM 0 HD2 LYS A 31 76.480 -5.363 -17.801 1.00 1.00 H new ATOM 0 HD3 LYS A 31 77.451 -6.761 -17.382 1.00 1.00 H new ATOM 0 HE2 LYS A 31 74.408 -6.751 -17.111 1.00 1.00 H new ATOM 0 HE3 LYS A 31 75.213 -7.248 -18.586 1.00 1.00 H new ATOM 0 HZ1 LYS A 31 75.017 -9.228 -17.439 1.00 1.00 H new ATOM 0 HZ2 LYS A 31 76.584 -8.754 -16.989 1.00 1.00 H new ATOM 0 HZ3 LYS A 31 75.286 -8.520 -15.919 1.00 1.00 H new ATOM 467 N GLN A 32 79.322 -2.511 -14.337 1.00 1.00 N ATOM 468 CA GLN A 32 80.657 -1.863 -14.190 1.00 1.00 C ATOM 469 C GLN A 32 80.660 -0.947 -12.966 1.00 1.00 C ATOM 470 O GLN A 32 80.053 0.106 -12.964 1.00 1.00 O ATOM 471 CB GLN A 32 80.956 -1.033 -15.441 1.00 1.00 C ATOM 472 CG GLN A 32 81.427 -1.956 -16.567 1.00 1.00 C ATOM 473 CD GLN A 32 81.840 -1.116 -17.777 1.00 1.00 C ATOM 474 OE1 GLN A 32 81.034 -0.840 -18.643 1.00 1.00 O ATOM 475 NE2 GLN A 32 83.072 -0.695 -17.874 1.00 1.00 N ATOM 0 H GLN A 32 78.593 -1.915 -14.730 1.00 1.00 H new ATOM 0 HA GLN A 32 81.418 -2.633 -14.064 1.00 1.00 H new ATOM 0 HB2 GLN A 32 80.064 -0.490 -15.751 1.00 1.00 H new ATOM 0 HB3 GLN A 32 81.722 -0.289 -15.222 1.00 1.00 H new ATOM 0 HG2 GLN A 32 82.267 -2.562 -16.228 1.00 1.00 H new ATOM 0 HG3 GLN A 32 80.629 -2.645 -16.845 1.00 1.00 H new ATOM 0 HE21 GLN A 32 83.749 -0.927 -17.147 1.00 1.00 H new ATOM 0 HE22 GLN A 32 83.358 -0.134 -18.677 1.00 1.00 H new ATOM 484 N ARG A 33 81.355 -1.331 -11.931 1.00 1.00 N ATOM 485 CA ARG A 33 81.419 -0.477 -10.713 1.00 1.00 C ATOM 486 C ARG A 33 82.691 0.369 -10.779 1.00 1.00 C ATOM 487 O ARG A 33 82.943 1.205 -9.934 1.00 1.00 O ATOM 488 CB ARG A 33 81.452 -1.366 -9.467 1.00 1.00 C ATOM 489 CG ARG A 33 80.440 -2.503 -9.625 1.00 1.00 C ATOM 490 CD ARG A 33 80.169 -3.139 -8.260 1.00 1.00 C ATOM 491 NE ARG A 33 79.437 -4.423 -8.447 1.00 1.00 N ATOM 492 CZ ARG A 33 80.094 -5.511 -8.742 1.00 1.00 C ATOM 493 NH1 ARG A 33 81.392 -5.475 -8.873 1.00 1.00 N ATOM 494 NH2 ARG A 33 79.452 -6.636 -8.906 1.00 1.00 N ATOM 0 H ARG A 33 81.883 -2.202 -11.877 1.00 1.00 H new ATOM 0 HA ARG A 33 80.544 0.172 -10.662 1.00 1.00 H new ATOM 0 HB2 ARG A 33 82.453 -1.773 -9.324 1.00 1.00 H new ATOM 0 HB3 ARG A 33 81.218 -0.777 -8.580 1.00 1.00 H new ATOM 0 HG2 ARG A 33 79.512 -2.121 -10.051 1.00 1.00 H new ATOM 0 HG3 ARG A 33 80.824 -3.252 -10.317 1.00 1.00 H new ATOM 0 HD2 ARG A 33 81.108 -3.317 -7.737 1.00 1.00 H new ATOM 0 HD3 ARG A 33 79.582 -2.460 -7.641 1.00 1.00 H new ATOM 0 HE ARG A 33 78.423 -4.452 -8.344 1.00 1.00 H new ATOM 0 HH11 ARG A 33 81.893 -4.596 -8.745 1.00 1.00 H new ATOM 0 HH12 ARG A 33 81.905 -6.326 -9.104 1.00 1.00 H new ATOM 0 HH21 ARG A 33 78.438 -6.664 -8.804 1.00 1.00 H new ATOM 0 HH22 ARG A 33 79.965 -7.487 -9.137 1.00 1.00 H new ATOM 508 N GLN A 34 83.490 0.154 -11.790 1.00 1.00 N ATOM 509 CA GLN A 34 84.751 0.934 -11.939 1.00 1.00 C ATOM 510 C GLN A 34 85.581 0.832 -10.659 1.00 1.00 C ATOM 511 O GLN A 34 85.114 0.369 -9.637 1.00 1.00 O ATOM 512 CB GLN A 34 84.421 2.403 -12.220 1.00 1.00 C ATOM 513 CG GLN A 34 83.349 2.494 -13.308 1.00 1.00 C ATOM 514 CD GLN A 34 81.969 2.603 -12.657 1.00 1.00 C ATOM 515 OE1 GLN A 34 81.859 2.694 -11.451 1.00 1.00 O ATOM 516 NE2 GLN A 34 80.903 2.599 -13.411 1.00 1.00 N ATOM 0 H GLN A 34 83.321 -0.534 -12.524 1.00 1.00 H new ATOM 0 HA GLN A 34 85.324 0.526 -12.772 1.00 1.00 H new ATOM 0 HB2 GLN A 34 84.070 2.887 -11.309 1.00 1.00 H new ATOM 0 HB3 GLN A 34 85.319 2.933 -12.536 1.00 1.00 H new ATOM 0 HG2 GLN A 34 83.533 3.361 -13.943 1.00 1.00 H new ATOM 0 HG3 GLN A 34 83.392 1.614 -13.950 1.00 1.00 H new ATOM 0 HE21 GLN A 34 80.995 2.523 -14.424 1.00 1.00 H new ATOM 0 HE22 GLN A 34 79.978 2.672 -12.987 1.00 1.00 H new ATOM 525 N THR A 35 86.812 1.262 -10.710 1.00 1.00 N ATOM 526 CA THR A 35 87.680 1.194 -9.501 1.00 1.00 C ATOM 527 C THR A 35 88.936 2.036 -9.736 1.00 1.00 C ATOM 528 O THR A 35 90.039 1.624 -9.433 1.00 1.00 O ATOM 529 CB THR A 35 88.079 -0.263 -9.241 1.00 1.00 C ATOM 530 OG1 THR A 35 86.953 -1.104 -9.446 1.00 1.00 O ATOM 531 CG2 THR A 35 88.573 -0.410 -7.801 1.00 1.00 C ATOM 0 H THR A 35 87.255 1.658 -11.539 1.00 1.00 H new ATOM 0 HA THR A 35 87.139 1.579 -8.637 1.00 1.00 H new ATOM 0 HB THR A 35 88.877 -0.549 -9.927 1.00 1.00 H new ATOM 0 HG1 THR A 35 86.160 -0.693 -9.044 1.00 1.00 H new ATOM 0 HG21 THR A 35 88.856 -1.446 -7.618 1.00 1.00 H new ATOM 0 HG22 THR A 35 89.437 0.236 -7.645 1.00 1.00 H new ATOM 0 HG23 THR A 35 87.778 -0.124 -7.113 1.00 1.00 H new ATOM 539 N ARG A 36 88.778 3.214 -10.276 1.00 1.00 N ATOM 540 CA ARG A 36 89.961 4.083 -10.534 1.00 1.00 C ATOM 541 C ARG A 36 89.492 5.514 -10.806 1.00 1.00 C ATOM 542 O ARG A 36 90.274 6.444 -10.812 1.00 1.00 O ATOM 543 CB ARG A 36 90.724 3.552 -11.753 1.00 1.00 C ATOM 544 CG ARG A 36 91.884 4.492 -12.086 1.00 1.00 C ATOM 545 CD ARG A 36 91.488 5.400 -13.252 1.00 1.00 C ATOM 546 NE ARG A 36 91.674 4.668 -14.536 1.00 1.00 N ATOM 547 CZ ARG A 36 91.827 5.331 -15.649 1.00 1.00 C ATOM 548 NH1 ARG A 36 91.818 6.636 -15.637 1.00 1.00 N ATOM 549 NH2 ARG A 36 91.989 4.690 -16.774 1.00 1.00 N ATOM 0 H ARG A 36 87.880 3.612 -10.550 1.00 1.00 H new ATOM 0 HA ARG A 36 90.617 4.077 -9.663 1.00 1.00 H new ATOM 0 HB2 ARG A 36 91.102 2.550 -11.549 1.00 1.00 H new ATOM 0 HB3 ARG A 36 90.052 3.471 -12.608 1.00 1.00 H new ATOM 0 HG2 ARG A 36 92.140 5.093 -11.214 1.00 1.00 H new ATOM 0 HG3 ARG A 36 92.771 3.914 -12.346 1.00 1.00 H new ATOM 0 HD2 ARG A 36 90.449 5.713 -13.147 1.00 1.00 H new ATOM 0 HD3 ARG A 36 92.096 6.305 -13.245 1.00 1.00 H new ATOM 0 HE ARG A 36 91.682 3.648 -14.545 1.00 1.00 H new ATOM 0 HH11 ARG A 36 91.691 7.137 -14.758 1.00 1.00 H new ATOM 0 HH12 ARG A 36 91.938 7.155 -16.507 1.00 1.00 H new ATOM 0 HH21 ARG A 36 91.996 3.670 -16.783 1.00 1.00 H new ATOM 0 HH22 ARG A 36 92.109 5.209 -17.644 1.00 1.00 H new ATOM 563 N GLN A 37 88.220 5.696 -11.034 1.00 1.00 N ATOM 564 CA GLN A 37 87.697 7.066 -11.309 1.00 1.00 C ATOM 565 C GLN A 37 87.283 7.730 -9.995 1.00 1.00 C ATOM 566 O GLN A 37 87.716 7.341 -8.929 1.00 1.00 O ATOM 567 CB GLN A 37 86.484 6.968 -12.237 1.00 1.00 C ATOM 568 CG GLN A 37 85.503 5.930 -11.687 1.00 1.00 C ATOM 569 CD GLN A 37 84.237 5.919 -12.546 1.00 1.00 C ATOM 570 OE1 GLN A 37 84.301 6.098 -13.746 1.00 1.00 O ATOM 571 NE2 GLN A 37 83.080 5.715 -11.977 1.00 1.00 N ATOM 0 H GLN A 37 87.519 4.955 -11.042 1.00 1.00 H new ATOM 0 HA GLN A 37 88.474 7.664 -11.786 1.00 1.00 H new ATOM 0 HB2 GLN A 37 85.995 7.939 -12.318 1.00 1.00 H new ATOM 0 HB3 GLN A 37 86.802 6.687 -13.241 1.00 1.00 H new ATOM 0 HG2 GLN A 37 85.964 4.942 -11.687 1.00 1.00 H new ATOM 0 HG3 GLN A 37 85.251 6.164 -10.653 1.00 1.00 H new ATOM 0 HE21 GLN A 37 83.027 5.565 -10.970 1.00 1.00 H new ATOM 0 HE22 GLN A 37 82.229 5.706 -12.540 1.00 1.00 H new ATOM 580 N CYS A 38 86.448 8.732 -10.063 1.00 1.00 N ATOM 581 CA CYS A 38 86.006 9.426 -8.820 1.00 1.00 C ATOM 582 C CYS A 38 87.230 9.918 -8.047 1.00 1.00 C ATOM 583 O CYS A 38 87.944 9.144 -7.439 1.00 1.00 O ATOM 584 CB CYS A 38 85.207 8.455 -7.947 1.00 1.00 C ATOM 585 SG CYS A 38 83.895 7.694 -8.935 1.00 1.00 S ATOM 0 H CYS A 38 86.052 9.100 -10.928 1.00 1.00 H new ATOM 0 HA CYS A 38 85.377 10.276 -9.084 1.00 1.00 H new ATOM 0 HB2 CYS A 38 85.866 7.686 -7.544 1.00 1.00 H new ATOM 0 HB3 CYS A 38 84.776 8.984 -7.097 1.00 1.00 H new ATOM 590 N LYS A 39 87.477 11.203 -8.063 1.00 1.00 N ATOM 591 CA LYS A 39 88.653 11.755 -7.328 1.00 1.00 C ATOM 592 C LYS A 39 88.190 12.895 -6.418 1.00 1.00 C ATOM 593 O LYS A 39 87.805 13.952 -6.874 1.00 1.00 O ATOM 594 CB LYS A 39 89.684 12.282 -8.334 1.00 1.00 C ATOM 595 CG LYS A 39 89.037 13.336 -9.235 1.00 1.00 C ATOM 596 CD LYS A 39 89.596 14.717 -8.889 1.00 1.00 C ATOM 597 CE LYS A 39 90.958 14.900 -9.562 1.00 1.00 C ATOM 598 NZ LYS A 39 90.761 15.184 -11.012 1.00 1.00 N ATOM 0 H LYS A 39 86.912 11.895 -8.555 1.00 1.00 H new ATOM 0 HA LYS A 39 89.109 10.971 -6.724 1.00 1.00 H new ATOM 0 HB2 LYS A 39 90.534 12.714 -7.805 1.00 1.00 H new ATOM 0 HB3 LYS A 39 90.069 11.461 -8.938 1.00 1.00 H new ATOM 0 HG2 LYS A 39 89.233 13.105 -10.282 1.00 1.00 H new ATOM 0 HG3 LYS A 39 87.955 13.327 -9.104 1.00 1.00 H new ATOM 0 HD2 LYS A 39 88.907 15.494 -9.221 1.00 1.00 H new ATOM 0 HD3 LYS A 39 89.696 14.820 -7.808 1.00 1.00 H new ATOM 0 HE2 LYS A 39 91.502 15.719 -9.091 1.00 1.00 H new ATOM 0 HE3 LYS A 39 91.562 14.002 -9.435 1.00 1.00 H new ATOM 0 HZ1 LYS A 39 91.628 15.603 -11.405 1.00 1.00 H new ATOM 0 HZ2 LYS A 39 90.546 14.298 -11.513 1.00 1.00 H new ATOM 0 HZ3 LYS A 39 89.971 15.850 -11.131 1.00 1.00 H new ATOM 612 N SER A 40 88.223 12.682 -5.131 1.00 1.00 N ATOM 613 CA SER A 40 87.784 13.744 -4.181 1.00 1.00 C ATOM 614 C SER A 40 87.651 13.138 -2.781 1.00 1.00 C ATOM 615 O SER A 40 86.859 12.245 -2.554 1.00 1.00 O ATOM 616 CB SER A 40 86.432 14.308 -4.630 1.00 1.00 C ATOM 617 OG SER A 40 85.699 13.292 -5.301 1.00 1.00 O ATOM 0 H SER A 40 88.536 11.815 -4.695 1.00 1.00 H new ATOM 0 HA SER A 40 88.518 14.549 -4.164 1.00 1.00 H new ATOM 0 HB2 SER A 40 85.871 14.668 -3.768 1.00 1.00 H new ATOM 0 HB3 SER A 40 86.582 15.161 -5.292 1.00 1.00 H new ATOM 0 HG SER A 40 85.724 13.454 -6.267 1.00 1.00 H new ATOM 623 N LYS A 41 88.424 13.612 -1.842 1.00 1.00 N ATOM 624 CA LYS A 41 88.345 13.056 -0.461 1.00 1.00 C ATOM 625 C LYS A 41 86.978 13.390 0.153 1.00 1.00 C ATOM 626 O LYS A 41 86.562 14.532 0.154 1.00 1.00 O ATOM 627 CB LYS A 41 89.449 13.678 0.398 1.00 1.00 C ATOM 628 CG LYS A 41 90.817 13.322 -0.188 1.00 1.00 C ATOM 629 CD LYS A 41 91.916 13.730 0.795 1.00 1.00 C ATOM 630 CE LYS A 41 92.185 12.580 1.767 1.00 1.00 C ATOM 631 NZ LYS A 41 92.752 11.421 1.021 1.00 1.00 N ATOM 0 H LYS A 41 89.106 14.359 -1.971 1.00 1.00 H new ATOM 0 HA LYS A 41 88.471 11.974 -0.499 1.00 1.00 H new ATOM 0 HB2 LYS A 41 89.329 14.761 0.435 1.00 1.00 H new ATOM 0 HB3 LYS A 41 89.375 13.314 1.423 1.00 1.00 H new ATOM 0 HG2 LYS A 41 90.872 12.252 -0.387 1.00 1.00 H new ATOM 0 HG3 LYS A 41 90.960 13.831 -1.141 1.00 1.00 H new ATOM 0 HD2 LYS A 41 92.827 13.983 0.253 1.00 1.00 H new ATOM 0 HD3 LYS A 41 91.614 14.622 1.345 1.00 1.00 H new ATOM 0 HE2 LYS A 41 92.879 12.901 2.544 1.00 1.00 H new ATOM 0 HE3 LYS A 41 91.261 12.288 2.266 1.00 1.00 H new ATOM 0 HZ1 LYS A 41 93.420 10.908 1.632 1.00 1.00 H new ATOM 0 HZ2 LYS A 41 91.983 10.782 0.736 1.00 1.00 H new ATOM 0 HZ3 LYS A 41 93.250 11.763 0.174 1.00 1.00 H new ATOM 645 N PRO A 42 86.281 12.410 0.681 1.00 1.00 N ATOM 646 CA PRO A 42 84.946 12.628 1.311 1.00 1.00 C ATOM 647 C PRO A 42 85.070 13.254 2.706 1.00 1.00 C ATOM 648 O PRO A 42 86.121 13.223 3.313 1.00 1.00 O ATOM 649 CB PRO A 42 84.358 11.218 1.400 1.00 1.00 C ATOM 650 CG PRO A 42 85.543 10.313 1.496 1.00 1.00 C ATOM 651 CD PRO A 42 86.685 10.995 0.736 1.00 1.00 C ATOM 0 HA PRO A 42 84.326 13.319 0.740 1.00 1.00 H new ATOM 0 HB2 PRO A 42 83.710 11.114 2.270 1.00 1.00 H new ATOM 0 HB3 PRO A 42 83.754 10.986 0.523 1.00 1.00 H new ATOM 0 HG2 PRO A 42 85.818 10.145 2.537 1.00 1.00 H new ATOM 0 HG3 PRO A 42 85.320 9.337 1.064 1.00 1.00 H new ATOM 0 HD2 PRO A 42 87.637 10.872 1.252 1.00 1.00 H new ATOM 0 HD3 PRO A 42 86.806 10.575 -0.263 1.00 1.00 H new ATOM 659 N PRO A 43 84.003 13.818 3.209 1.00 1.00 N ATOM 660 CA PRO A 43 83.993 14.461 4.556 1.00 1.00 C ATOM 661 C PRO A 43 84.513 13.515 5.645 1.00 1.00 C ATOM 662 O PRO A 43 84.528 12.311 5.480 1.00 1.00 O ATOM 663 CB PRO A 43 82.514 14.816 4.800 1.00 1.00 C ATOM 664 CG PRO A 43 81.736 14.110 3.736 1.00 1.00 C ATOM 665 CD PRO A 43 82.689 13.901 2.560 1.00 1.00 C ATOM 0 HA PRO A 43 84.648 15.332 4.592 1.00 1.00 H new ATOM 0 HB2 PRO A 43 82.195 14.497 5.792 1.00 1.00 H new ATOM 0 HB3 PRO A 43 82.358 15.893 4.747 1.00 1.00 H new ATOM 0 HG2 PRO A 43 81.358 13.155 4.102 1.00 1.00 H new ATOM 0 HG3 PRO A 43 80.871 14.700 3.433 1.00 1.00 H new ATOM 0 HD2 PRO A 43 82.454 12.991 2.007 1.00 1.00 H new ATOM 0 HD3 PRO A 43 82.641 14.727 1.850 1.00 1.00 H new ATOM 673 N LYS A 44 84.941 14.051 6.755 1.00 1.00 N ATOM 674 CA LYS A 44 85.462 13.183 7.849 1.00 1.00 C ATOM 675 C LYS A 44 86.693 12.425 7.344 1.00 1.00 C ATOM 676 O LYS A 44 86.940 11.301 7.731 1.00 1.00 O ATOM 677 CB LYS A 44 84.371 12.185 8.270 1.00 1.00 C ATOM 678 CG LYS A 44 84.438 11.957 9.781 1.00 1.00 C ATOM 679 CD LYS A 44 85.765 11.284 10.138 1.00 1.00 C ATOM 680 CE LYS A 44 85.778 10.937 11.628 1.00 1.00 C ATOM 681 NZ LYS A 44 85.240 12.085 12.410 1.00 1.00 N ATOM 0 H LYS A 44 84.953 15.052 6.952 1.00 1.00 H new ATOM 0 HA LYS A 44 85.740 13.794 8.708 1.00 1.00 H new ATOM 0 HB2 LYS A 44 83.388 12.567 7.993 1.00 1.00 H new ATOM 0 HB3 LYS A 44 84.506 11.240 7.743 1.00 1.00 H new ATOM 0 HG2 LYS A 44 84.347 12.907 10.307 1.00 1.00 H new ATOM 0 HG3 LYS A 44 83.604 11.333 10.103 1.00 1.00 H new ATOM 0 HD2 LYS A 44 85.898 10.381 9.542 1.00 1.00 H new ATOM 0 HD3 LYS A 44 86.597 11.948 9.901 1.00 1.00 H new ATOM 0 HE2 LYS A 44 85.177 10.046 11.810 1.00 1.00 H new ATOM 0 HE3 LYS A 44 86.794 10.708 11.950 1.00 1.00 H new ATOM 0 HZ1 LYS A 44 85.605 12.044 13.383 1.00 1.00 H new ATOM 0 HZ2 LYS A 44 85.538 12.977 11.966 1.00 1.00 H new ATOM 0 HZ3 LYS A 44 84.201 12.037 12.428 1.00 1.00 H new ATOM 695 N LYS A 45 87.463 13.039 6.479 1.00 1.00 N ATOM 696 CA LYS A 45 88.686 12.371 5.931 1.00 1.00 C ATOM 697 C LYS A 45 88.462 10.857 5.846 1.00 1.00 C ATOM 698 O LYS A 45 88.841 10.115 6.730 1.00 1.00 O ATOM 699 CB LYS A 45 89.891 12.670 6.835 1.00 1.00 C ATOM 700 CG LYS A 45 89.426 12.788 8.288 1.00 1.00 C ATOM 701 CD LYS A 45 90.631 13.071 9.188 1.00 1.00 C ATOM 702 CE LYS A 45 90.180 13.099 10.650 1.00 1.00 C ATOM 703 NZ LYS A 45 89.561 11.791 11.004 1.00 1.00 N ATOM 0 H LYS A 45 87.296 13.981 6.126 1.00 1.00 H new ATOM 0 HA LYS A 45 88.884 12.757 4.931 1.00 1.00 H new ATOM 0 HB2 LYS A 45 90.633 11.877 6.743 1.00 1.00 H new ATOM 0 HB3 LYS A 45 90.373 13.595 6.521 1.00 1.00 H new ATOM 0 HG2 LYS A 45 88.692 13.588 8.382 1.00 1.00 H new ATOM 0 HG3 LYS A 45 88.934 11.866 8.600 1.00 1.00 H new ATOM 0 HD2 LYS A 45 91.393 12.304 9.046 1.00 1.00 H new ATOM 0 HD3 LYS A 45 91.084 14.025 8.918 1.00 1.00 H new ATOM 0 HE2 LYS A 45 91.032 13.298 11.301 1.00 1.00 H new ATOM 0 HE3 LYS A 45 89.464 13.906 10.805 1.00 1.00 H new ATOM 0 HZ1 LYS A 45 89.758 11.572 12.001 1.00 1.00 H new ATOM 0 HZ2 LYS A 45 88.533 11.843 10.857 1.00 1.00 H new ATOM 0 HZ3 LYS A 45 89.960 11.044 10.400 1.00 1.00 H new ATOM 717 N GLY A 46 87.846 10.396 4.789 1.00 1.00 N ATOM 718 CA GLY A 46 87.593 8.931 4.647 1.00 1.00 C ATOM 719 C GLY A 46 88.660 8.306 3.747 1.00 1.00 C ATOM 720 O GLY A 46 88.560 7.161 3.354 1.00 1.00 O ATOM 0 H GLY A 46 87.507 10.971 4.018 1.00 1.00 H new ATOM 0 HA2 GLY A 46 87.606 8.454 5.627 1.00 1.00 H new ATOM 0 HA3 GLY A 46 86.603 8.763 4.223 1.00 1.00 H new ATOM 724 N VAL A 47 89.684 9.045 3.418 1.00 1.00 N ATOM 725 CA VAL A 47 90.757 8.486 2.546 1.00 1.00 C ATOM 726 C VAL A 47 90.147 8.058 1.205 1.00 1.00 C ATOM 727 O VAL A 47 88.966 7.791 1.106 1.00 1.00 O ATOM 728 CB VAL A 47 91.414 7.283 3.261 1.00 1.00 C ATOM 729 CG1 VAL A 47 91.439 6.079 2.318 1.00 1.00 C ATOM 730 CG2 VAL A 47 92.846 7.648 3.657 1.00 1.00 C ATOM 0 H VAL A 47 89.824 10.011 3.715 1.00 1.00 H new ATOM 0 HA VAL A 47 91.521 9.239 2.355 1.00 1.00 H new ATOM 0 HB VAL A 47 90.840 7.033 4.153 1.00 1.00 H new ATOM 0 HG11 VAL A 47 91.902 5.231 2.823 1.00 1.00 H new ATOM 0 HG12 VAL A 47 90.420 5.819 2.033 1.00 1.00 H new ATOM 0 HG13 VAL A 47 92.013 6.328 1.425 1.00 1.00 H new ATOM 0 HG21 VAL A 47 93.311 6.801 4.161 1.00 1.00 H new ATOM 0 HG22 VAL A 47 93.418 7.897 2.763 1.00 1.00 H new ATOM 0 HG23 VAL A 47 92.830 8.506 4.329 1.00 1.00 H new ATOM 740 N GLN A 48 90.948 7.994 0.175 1.00 1.00 N ATOM 741 CA GLN A 48 90.429 7.586 -1.163 1.00 1.00 C ATOM 742 C GLN A 48 89.507 8.677 -1.711 1.00 1.00 C ATOM 743 O GLN A 48 88.955 9.467 -0.971 1.00 1.00 O ATOM 744 CB GLN A 48 89.652 6.269 -1.039 1.00 1.00 C ATOM 745 CG GLN A 48 89.656 5.545 -2.387 1.00 1.00 C ATOM 746 CD GLN A 48 88.655 4.389 -2.349 1.00 1.00 C ATOM 747 OE1 GLN A 48 87.561 4.534 -1.842 1.00 1.00 O ATOM 748 NE2 GLN A 48 88.986 3.239 -2.869 1.00 1.00 N ATOM 0 H GLN A 48 91.945 8.208 0.203 1.00 1.00 H new ATOM 0 HA GLN A 48 91.267 7.445 -1.845 1.00 1.00 H new ATOM 0 HB2 GLN A 48 90.105 5.638 -0.274 1.00 1.00 H new ATOM 0 HB3 GLN A 48 88.628 6.467 -0.724 1.00 1.00 H new ATOM 0 HG2 GLN A 48 89.395 6.240 -3.186 1.00 1.00 H new ATOM 0 HG3 GLN A 48 90.655 5.168 -2.606 1.00 1.00 H new ATOM 0 HE21 GLN A 48 89.905 3.117 -3.295 1.00 1.00 H new ATOM 0 HE22 GLN A 48 88.326 2.462 -2.850 1.00 1.00 H new ATOM 757 N GLY A 49 89.339 8.727 -3.005 1.00 1.00 N ATOM 758 CA GLY A 49 88.455 9.766 -3.605 1.00 1.00 C ATOM 759 C GLY A 49 87.011 9.262 -3.623 1.00 1.00 C ATOM 760 O GLY A 49 86.759 8.073 -3.608 1.00 1.00 O ATOM 0 H GLY A 49 89.777 8.092 -3.673 1.00 1.00 H new ATOM 0 HA2 GLY A 49 88.521 10.690 -3.031 1.00 1.00 H new ATOM 0 HA3 GLY A 49 88.783 9.996 -4.619 1.00 1.00 H new ATOM 764 N CYS A 50 86.060 10.159 -3.657 1.00 1.00 N ATOM 765 CA CYS A 50 84.628 9.741 -3.678 1.00 1.00 C ATOM 766 C CYS A 50 83.960 10.289 -4.942 1.00 1.00 C ATOM 767 O CYS A 50 82.833 9.958 -5.253 1.00 1.00 O ATOM 768 CB CYS A 50 83.917 10.297 -2.438 1.00 1.00 C ATOM 769 SG CYS A 50 83.631 8.957 -1.255 1.00 1.00 S ATOM 0 H CYS A 50 86.215 11.167 -3.671 1.00 1.00 H new ATOM 0 HA CYS A 50 84.563 8.653 -3.675 1.00 1.00 H new ATOM 0 HB2 CYS A 50 84.522 11.079 -1.979 1.00 1.00 H new ATOM 0 HB3 CYS A 50 82.969 10.753 -2.723 1.00 1.00 H new ATOM 774 N GLY A 51 84.647 11.123 -5.673 1.00 1.00 N ATOM 775 CA GLY A 51 84.051 11.691 -6.916 1.00 1.00 C ATOM 776 C GLY A 51 83.127 12.855 -6.556 1.00 1.00 C ATOM 777 O GLY A 51 82.126 12.682 -5.889 1.00 1.00 O ATOM 0 H GLY A 51 85.595 11.436 -5.464 1.00 1.00 H new ATOM 0 HA2 GLY A 51 84.840 12.033 -7.586 1.00 1.00 H new ATOM 0 HA3 GLY A 51 83.492 10.921 -7.448 1.00 1.00 H new ATOM 781 N ASP A 52 83.456 14.042 -6.993 1.00 1.00 N ATOM 782 CA ASP A 52 82.601 15.225 -6.681 1.00 1.00 C ATOM 783 C ASP A 52 81.777 15.596 -7.917 1.00 1.00 C ATOM 784 O ASP A 52 80.735 16.214 -7.817 1.00 1.00 O ATOM 785 CB ASP A 52 83.492 16.406 -6.287 1.00 1.00 C ATOM 786 CG ASP A 52 82.644 17.675 -6.185 1.00 1.00 C ATOM 787 OD1 ASP A 52 82.077 17.902 -5.128 1.00 1.00 O ATOM 788 OD2 ASP A 52 82.574 18.398 -7.165 1.00 1.00 O ATOM 0 H ASP A 52 84.283 14.244 -7.555 1.00 1.00 H new ATOM 0 HA ASP A 52 81.931 14.985 -5.856 1.00 1.00 H new ATOM 0 HB2 ASP A 52 83.980 16.205 -5.333 1.00 1.00 H new ATOM 0 HB3 ASP A 52 84.281 16.542 -7.026 1.00 1.00 H new ATOM 793 N ASP A 53 82.235 15.225 -9.082 1.00 1.00 N ATOM 794 CA ASP A 53 81.478 15.557 -10.322 1.00 1.00 C ATOM 795 C ASP A 53 80.295 14.599 -10.471 1.00 1.00 C ATOM 796 O ASP A 53 80.386 13.582 -11.128 1.00 1.00 O ATOM 797 CB ASP A 53 82.401 15.421 -11.535 1.00 1.00 C ATOM 798 CG ASP A 53 83.076 14.049 -11.512 1.00 1.00 C ATOM 799 OD1 ASP A 53 83.845 13.804 -10.596 1.00 1.00 O ATOM 800 OD2 ASP A 53 82.814 13.266 -12.410 1.00 1.00 O ATOM 0 H ASP A 53 83.101 14.706 -9.228 1.00 1.00 H new ATOM 0 HA ASP A 53 81.109 16.581 -10.259 1.00 1.00 H new ATOM 0 HB2 ASP A 53 81.829 15.541 -12.455 1.00 1.00 H new ATOM 0 HB3 ASP A 53 83.154 16.209 -11.522 1.00 1.00 H new ATOM 805 N ILE A 54 79.184 14.916 -9.862 1.00 1.00 N ATOM 806 CA ILE A 54 77.992 14.025 -9.963 1.00 1.00 C ATOM 807 C ILE A 54 76.718 14.873 -9.880 1.00 1.00 C ATOM 808 O ILE A 54 76.704 15.920 -9.263 1.00 1.00 O ATOM 809 CB ILE A 54 78.010 13.005 -8.812 1.00 1.00 C ATOM 810 CG1 ILE A 54 78.467 13.697 -7.526 1.00 1.00 C ATOM 811 CG2 ILE A 54 78.978 11.870 -9.150 1.00 1.00 C ATOM 812 CD1 ILE A 54 77.244 14.168 -6.737 1.00 1.00 C ATOM 0 H ILE A 54 79.050 15.755 -9.298 1.00 1.00 H new ATOM 0 HA ILE A 54 78.014 13.492 -10.914 1.00 1.00 H new ATOM 0 HB ILE A 54 77.008 12.598 -8.672 1.00 1.00 H new ATOM 0 HG12 ILE A 54 79.060 13.010 -6.922 1.00 1.00 H new ATOM 0 HG13 ILE A 54 79.108 14.546 -7.765 1.00 1.00 H new ATOM 0 HG21 ILE A 54 78.991 11.147 -8.334 1.00 1.00 H new ATOM 0 HG22 ILE A 54 78.655 11.377 -10.067 1.00 1.00 H new ATOM 0 HG23 ILE A 54 79.980 12.276 -9.291 1.00 1.00 H new ATOM 0 HD11 ILE A 54 77.570 14.661 -5.821 1.00 1.00 H new ATOM 0 HD12 ILE A 54 76.669 14.869 -7.342 1.00 1.00 H new ATOM 0 HD13 ILE A 54 76.621 13.310 -6.485 1.00 1.00 H new ATOM 824 N PRO A 55 75.652 14.425 -10.494 1.00 1.00 N ATOM 825 CA PRO A 55 74.350 15.158 -10.484 1.00 1.00 C ATOM 826 C PRO A 55 73.695 15.144 -9.098 1.00 1.00 C ATOM 827 O PRO A 55 73.004 16.068 -8.718 1.00 1.00 O ATOM 828 CB PRO A 55 73.489 14.391 -11.495 1.00 1.00 C ATOM 829 CG PRO A 55 74.071 13.017 -11.541 1.00 1.00 C ATOM 830 CD PRO A 55 75.568 13.171 -11.260 1.00 1.00 C ATOM 0 HA PRO A 55 74.474 16.212 -10.735 1.00 1.00 H new ATOM 0 HB2 PRO A 55 72.445 14.366 -11.184 1.00 1.00 H new ATOM 0 HB3 PRO A 55 73.518 14.864 -12.476 1.00 1.00 H new ATOM 0 HG2 PRO A 55 73.601 12.371 -10.799 1.00 1.00 H new ATOM 0 HG3 PRO A 55 73.904 12.557 -12.515 1.00 1.00 H new ATOM 0 HD2 PRO A 55 75.957 12.327 -10.691 1.00 1.00 H new ATOM 0 HD3 PRO A 55 76.145 13.226 -12.183 1.00 1.00 H new ATOM 838 N GLY A 56 73.907 14.100 -8.344 1.00 1.00 N ATOM 839 CA GLY A 56 73.297 14.024 -6.986 1.00 1.00 C ATOM 840 C GLY A 56 73.749 15.223 -6.150 1.00 1.00 C ATOM 841 O GLY A 56 73.045 16.205 -6.025 1.00 1.00 O ATOM 0 H GLY A 56 74.476 13.296 -8.610 1.00 1.00 H new ATOM 0 HA2 GLY A 56 72.210 14.013 -7.065 1.00 1.00 H new ATOM 0 HA3 GLY A 56 73.591 13.096 -6.496 1.00 1.00 H new ATOM 845 N MET A 57 74.918 15.150 -5.574 1.00 1.00 N ATOM 846 CA MET A 57 75.412 16.287 -4.744 1.00 1.00 C ATOM 847 C MET A 57 74.555 16.405 -3.480 1.00 1.00 C ATOM 848 O MET A 57 74.916 17.077 -2.535 1.00 1.00 O ATOM 849 CB MET A 57 75.321 17.586 -5.560 1.00 1.00 C ATOM 850 CG MET A 57 76.431 18.545 -5.126 1.00 1.00 C ATOM 851 SD MET A 57 76.005 19.275 -3.525 1.00 1.00 S ATOM 852 CE MET A 57 77.329 18.502 -2.564 1.00 1.00 C ATOM 0 H MET A 57 75.552 14.354 -5.642 1.00 1.00 H new ATOM 0 HA MET A 57 76.449 16.112 -4.458 1.00 1.00 H new ATOM 0 HB2 MET A 57 75.412 17.366 -6.624 1.00 1.00 H new ATOM 0 HB3 MET A 57 74.347 18.052 -5.413 1.00 1.00 H new ATOM 0 HG2 MET A 57 77.379 18.012 -5.054 1.00 1.00 H new ATOM 0 HG3 MET A 57 76.562 19.329 -5.872 1.00 1.00 H new ATOM 0 HE1 MET A 57 77.118 18.612 -1.500 1.00 1.00 H new ATOM 0 HE2 MET A 57 77.390 17.443 -2.814 1.00 1.00 H new ATOM 0 HE3 MET A 57 78.278 18.985 -2.798 1.00 1.00 H new ATOM 862 N GLU A 58 73.421 15.754 -3.457 1.00 1.00 N ATOM 863 CA GLU A 58 72.536 15.825 -2.257 1.00 1.00 C ATOM 864 C GLU A 58 72.034 14.422 -1.909 1.00 1.00 C ATOM 865 O GLU A 58 71.880 13.576 -2.767 1.00 1.00 O ATOM 866 CB GLU A 58 71.341 16.731 -2.561 1.00 1.00 C ATOM 867 CG GLU A 58 70.630 17.095 -1.256 1.00 1.00 C ATOM 868 CD GLU A 58 71.498 18.066 -0.454 1.00 1.00 C ATOM 869 OE1 GLU A 58 72.503 18.508 -0.986 1.00 1.00 O ATOM 870 OE2 GLU A 58 71.143 18.351 0.677 1.00 1.00 O ATOM 0 H GLU A 58 73.069 15.175 -4.220 1.00 1.00 H new ATOM 0 HA GLU A 58 73.097 16.230 -1.415 1.00 1.00 H new ATOM 0 HB2 GLU A 58 71.677 17.635 -3.069 1.00 1.00 H new ATOM 0 HB3 GLU A 58 70.650 16.225 -3.235 1.00 1.00 H new ATOM 0 HG2 GLU A 58 69.662 17.549 -1.471 1.00 1.00 H new ATOM 0 HG3 GLU A 58 70.437 16.195 -0.672 1.00 1.00 H new ATOM 877 N GLY A 59 71.776 14.168 -0.655 1.00 1.00 N ATOM 878 CA GLY A 59 71.282 12.821 -0.253 1.00 1.00 C ATOM 879 C GLY A 59 69.792 12.706 -0.581 1.00 1.00 C ATOM 880 O GLY A 59 69.104 11.833 -0.092 1.00 1.00 O ATOM 0 H GLY A 59 71.886 14.835 0.108 1.00 1.00 H new ATOM 0 HA2 GLY A 59 71.841 12.046 -0.776 1.00 1.00 H new ATOM 0 HA3 GLY A 59 71.444 12.666 0.814 1.00 1.00 H new ATOM 884 N CYS A 60 69.290 13.583 -1.406 1.00 1.00 N ATOM 885 CA CYS A 60 67.845 13.527 -1.767 1.00 1.00 C ATOM 886 C CYS A 60 66.998 13.509 -0.493 1.00 1.00 C ATOM 887 O CYS A 60 66.046 12.763 -0.379 1.00 1.00 O ATOM 888 CB CYS A 60 67.571 12.260 -2.580 1.00 1.00 C ATOM 889 SG CYS A 60 68.610 12.258 -4.062 1.00 1.00 S ATOM 0 H CYS A 60 69.818 14.337 -1.846 1.00 1.00 H new ATOM 0 HA CYS A 60 67.586 14.404 -2.361 1.00 1.00 H new ATOM 0 HB2 CYS A 60 67.778 11.376 -1.977 1.00 1.00 H new ATOM 0 HB3 CYS A 60 66.519 12.215 -2.861 1.00 1.00 H new ATOM 894 N GLY A 61 67.333 14.330 0.466 1.00 1.00 N ATOM 895 CA GLY A 61 66.542 14.367 1.731 1.00 1.00 C ATOM 896 C GLY A 61 67.105 13.356 2.733 1.00 1.00 C ATOM 897 O GLY A 61 66.373 12.597 3.336 1.00 1.00 O ATOM 0 H GLY A 61 68.121 14.977 0.428 1.00 1.00 H new ATOM 0 HA2 GLY A 61 66.572 15.369 2.158 1.00 1.00 H new ATOM 0 HA3 GLY A 61 65.497 14.140 1.522 1.00 1.00 H new ATOM 901 N THR A 62 68.397 13.339 2.923 1.00 1.00 N ATOM 902 CA THR A 62 68.995 12.375 3.894 1.00 1.00 C ATOM 903 C THR A 62 70.326 12.925 4.413 1.00 1.00 C ATOM 904 O THR A 62 71.386 12.491 4.008 1.00 1.00 O ATOM 905 CB THR A 62 69.239 11.031 3.203 1.00 1.00 C ATOM 906 OG1 THR A 62 69.960 11.245 1.998 1.00 1.00 O ATOM 907 CG2 THR A 62 67.898 10.366 2.887 1.00 1.00 C ATOM 0 H THR A 62 69.064 13.949 2.450 1.00 1.00 H new ATOM 0 HA THR A 62 68.308 12.236 4.728 1.00 1.00 H new ATOM 0 HB THR A 62 69.816 10.382 3.862 1.00 1.00 H new ATOM 0 HG1 THR A 62 69.335 11.274 1.244 1.00 1.00 H new ATOM 0 HG21 THR A 62 68.073 9.409 2.395 1.00 1.00 H new ATOM 0 HG22 THR A 62 67.346 10.202 3.813 1.00 1.00 H new ATOM 0 HG23 THR A 62 67.318 11.012 2.228 1.00 1.00 H new ATOM 915 N ASP A 63 70.281 13.874 5.308 1.00 1.00 N ATOM 916 CA ASP A 63 71.546 14.446 5.852 1.00 1.00 C ATOM 917 C ASP A 63 72.263 13.389 6.696 1.00 1.00 C ATOM 918 O ASP A 63 73.415 13.539 7.050 1.00 1.00 O ATOM 919 CB ASP A 63 71.222 15.661 6.726 1.00 1.00 C ATOM 920 CG ASP A 63 72.518 16.241 7.297 1.00 1.00 C ATOM 921 OD1 ASP A 63 73.422 16.497 6.519 1.00 1.00 O ATOM 922 OD2 ASP A 63 72.583 16.419 8.502 1.00 1.00 O ATOM 0 H ASP A 63 69.424 14.278 5.686 1.00 1.00 H new ATOM 0 HA ASP A 63 72.190 14.752 5.028 1.00 1.00 H new ATOM 0 HB2 ASP A 63 70.701 16.417 6.138 1.00 1.00 H new ATOM 0 HB3 ASP A 63 70.553 15.371 7.536 1.00 1.00 H new ATOM 927 N ILE A 64 71.587 12.321 7.023 1.00 1.00 N ATOM 928 CA ILE A 64 72.224 11.254 7.846 1.00 1.00 C ATOM 929 C ILE A 64 73.216 10.463 6.997 1.00 1.00 C ATOM 930 O ILE A 64 73.911 9.603 7.495 1.00 1.00 O ATOM 931 CB ILE A 64 71.150 10.311 8.382 1.00 1.00 C ATOM 932 CG1 ILE A 64 70.248 11.069 9.358 1.00 1.00 C ATOM 933 CG2 ILE A 64 71.814 9.140 9.108 1.00 1.00 C ATOM 934 CD1 ILE A 64 70.864 11.030 10.758 1.00 1.00 C ATOM 0 H ILE A 64 70.619 12.141 6.755 1.00 1.00 H new ATOM 0 HA ILE A 64 72.753 11.716 8.679 1.00 1.00 H new ATOM 0 HB ILE A 64 70.553 9.932 7.552 1.00 1.00 H new ATOM 0 HG12 ILE A 64 70.127 12.102 9.031 1.00 1.00 H new ATOM 0 HG13 ILE A 64 69.254 10.621 9.374 1.00 1.00 H new ATOM 0 HG21 ILE A 64 71.047 8.467 9.491 1.00 1.00 H new ATOM 0 HG22 ILE A 64 72.458 8.599 8.414 1.00 1.00 H new ATOM 0 HG23 ILE A 64 72.412 9.518 9.938 1.00 1.00 H new ATOM 0 HD11 ILE A 64 70.221 11.570 11.453 1.00 1.00 H new ATOM 0 HD12 ILE A 64 70.962 9.994 11.084 1.00 1.00 H new ATOM 0 HD13 ILE A 64 71.848 11.498 10.736 1.00 1.00 H new ATOM 946 N THR A 65 73.284 10.755 5.726 1.00 1.00 N ATOM 947 CA THR A 65 74.229 10.037 4.813 1.00 1.00 C ATOM 948 C THR A 65 75.066 9.006 5.575 1.00 1.00 C ATOM 949 O THR A 65 74.928 7.816 5.375 1.00 1.00 O ATOM 950 CB THR A 65 75.172 11.052 4.173 1.00 1.00 C ATOM 951 OG1 THR A 65 74.428 12.186 3.752 1.00 1.00 O ATOM 952 CG2 THR A 65 75.866 10.417 2.967 1.00 1.00 C ATOM 0 H THR A 65 72.717 11.471 5.272 1.00 1.00 H new ATOM 0 HA THR A 65 73.642 9.518 4.055 1.00 1.00 H new ATOM 0 HB THR A 65 75.924 11.360 4.900 1.00 1.00 H new ATOM 0 HG1 THR A 65 75.032 12.840 3.342 1.00 1.00 H new ATOM 0 HG21 THR A 65 76.539 11.143 2.511 1.00 1.00 H new ATOM 0 HG22 THR A 65 76.437 9.547 3.292 1.00 1.00 H new ATOM 0 HG23 THR A 65 75.117 10.108 2.238 1.00 1.00 H new ATOM 960 N VAL A 66 75.939 9.461 6.442 1.00 1.00 N ATOM 961 CA VAL A 66 76.799 8.521 7.221 1.00 1.00 C ATOM 962 C VAL A 66 76.058 7.197 7.431 1.00 1.00 C ATOM 963 O VAL A 66 76.352 6.208 6.789 1.00 1.00 O ATOM 964 CB VAL A 66 77.139 9.147 8.579 1.00 1.00 C ATOM 965 CG1 VAL A 66 78.424 8.521 9.123 1.00 1.00 C ATOM 966 CG2 VAL A 66 77.341 10.654 8.408 1.00 1.00 C ATOM 0 H VAL A 66 76.092 10.449 6.643 1.00 1.00 H new ATOM 0 HA VAL A 66 77.720 8.331 6.670 1.00 1.00 H new ATOM 0 HB VAL A 66 76.322 8.965 9.277 1.00 1.00 H new ATOM 0 HG11 VAL A 66 78.665 8.966 10.088 1.00 1.00 H new ATOM 0 HG12 VAL A 66 78.283 7.447 9.244 1.00 1.00 H new ATOM 0 HG13 VAL A 66 79.241 8.703 8.425 1.00 1.00 H new ATOM 0 HG21 VAL A 66 77.583 11.100 9.373 1.00 1.00 H new ATOM 0 HG22 VAL A 66 78.158 10.835 7.710 1.00 1.00 H new ATOM 0 HG23 VAL A 66 76.426 11.102 8.020 1.00 1.00 H new ATOM 976 N ILE A 67 75.088 7.170 8.308 1.00 1.00 N ATOM 977 CA ILE A 67 74.325 5.902 8.527 1.00 1.00 C ATOM 978 C ILE A 67 72.823 6.191 8.605 1.00 1.00 C ATOM 979 O ILE A 67 72.271 6.382 9.671 1.00 1.00 O ATOM 980 CB ILE A 67 74.776 5.244 9.833 1.00 1.00 C ATOM 981 CG1 ILE A 67 76.281 4.973 9.773 1.00 1.00 C ATOM 982 CG2 ILE A 67 74.029 3.923 10.024 1.00 1.00 C ATOM 983 CD1 ILE A 67 76.761 4.451 11.129 1.00 1.00 C ATOM 0 H ILE A 67 74.792 7.962 8.878 1.00 1.00 H new ATOM 0 HA ILE A 67 74.519 5.232 7.690 1.00 1.00 H new ATOM 0 HB ILE A 67 74.558 5.909 10.669 1.00 1.00 H new ATOM 0 HG12 ILE A 67 76.499 4.244 8.993 1.00 1.00 H new ATOM 0 HG13 ILE A 67 76.816 5.887 9.513 1.00 1.00 H new ATOM 0 HG21 ILE A 67 74.350 3.454 10.954 1.00 1.00 H new ATOM 0 HG22 ILE A 67 72.957 4.114 10.065 1.00 1.00 H new ATOM 0 HG23 ILE A 67 74.247 3.258 9.189 1.00 1.00 H new ATOM 0 HD11 ILE A 67 77.833 4.258 11.086 1.00 1.00 H new ATOM 0 HD12 ILE A 67 76.557 5.196 11.898 1.00 1.00 H new ATOM 0 HD13 ILE A 67 76.235 3.527 11.370 1.00 1.00 H new ATOM 995 N CYS A 68 72.156 6.203 7.483 1.00 1.00 N ATOM 996 CA CYS A 68 70.685 6.452 7.477 1.00 1.00 C ATOM 997 C CYS A 68 69.950 5.117 7.629 1.00 1.00 C ATOM 998 O CYS A 68 70.509 4.065 7.392 1.00 1.00 O ATOM 999 CB CYS A 68 70.286 7.117 6.151 1.00 1.00 C ATOM 1000 SG CYS A 68 71.770 7.425 5.161 1.00 1.00 S ATOM 0 H CYS A 68 72.570 6.050 6.563 1.00 1.00 H new ATOM 0 HA CYS A 68 70.417 7.111 8.303 1.00 1.00 H new ATOM 0 HB2 CYS A 68 69.597 6.475 5.603 1.00 1.00 H new ATOM 0 HB3 CYS A 68 69.764 8.054 6.344 1.00 1.00 H new ATOM 1005 N PRO A 69 68.704 5.154 8.028 1.00 1.00 N ATOM 1006 CA PRO A 69 67.886 3.924 8.218 1.00 1.00 C ATOM 1007 C PRO A 69 68.041 2.947 7.047 1.00 1.00 C ATOM 1008 O PRO A 69 67.935 1.748 7.209 1.00 1.00 O ATOM 1009 CB PRO A 69 66.436 4.436 8.318 1.00 1.00 C ATOM 1010 CG PRO A 69 66.487 5.918 8.107 1.00 1.00 C ATOM 1011 CD PRO A 69 67.932 6.362 8.336 1.00 1.00 C ATOM 0 HA PRO A 69 68.197 3.367 9.102 1.00 1.00 H new ATOM 0 HB2 PRO A 69 65.805 3.960 7.568 1.00 1.00 H new ATOM 0 HB3 PRO A 69 66.008 4.198 9.292 1.00 1.00 H new ATOM 0 HG2 PRO A 69 66.162 6.174 7.098 1.00 1.00 H new ATOM 0 HG3 PRO A 69 65.815 6.428 8.797 1.00 1.00 H new ATOM 0 HD2 PRO A 69 68.206 7.192 7.686 1.00 1.00 H new ATOM 0 HD3 PRO A 69 68.094 6.693 9.362 1.00 1.00 H new ATOM 1019 N TRP A 70 68.297 3.450 5.870 1.00 1.00 N ATOM 1020 CA TRP A 70 68.465 2.548 4.697 1.00 1.00 C ATOM 1021 C TRP A 70 69.679 1.646 4.929 1.00 1.00 C ATOM 1022 O TRP A 70 69.768 0.558 4.397 1.00 1.00 O ATOM 1023 CB TRP A 70 68.687 3.388 3.433 1.00 1.00 C ATOM 1024 CG TRP A 70 67.366 3.723 2.819 1.00 1.00 C ATOM 1025 CD1 TRP A 70 66.599 2.864 2.110 1.00 1.00 C ATOM 1026 CD2 TRP A 70 66.644 4.989 2.847 1.00 1.00 C ATOM 1027 NE1 TRP A 70 65.453 3.520 1.700 1.00 1.00 N ATOM 1028 CE2 TRP A 70 65.433 4.832 2.129 1.00 1.00 C ATOM 1029 CE3 TRP A 70 66.917 6.244 3.418 1.00 1.00 C ATOM 1030 CZ2 TRP A 70 64.527 5.886 1.985 1.00 1.00 C ATOM 1031 CZ3 TRP A 70 66.010 7.304 3.275 1.00 1.00 C ATOM 1032 CH2 TRP A 70 64.818 7.127 2.561 1.00 1.00 C ATOM 0 H TRP A 70 68.397 4.445 5.671 1.00 1.00 H new ATOM 0 HA TRP A 70 67.571 1.937 4.572 1.00 1.00 H new ATOM 0 HB2 TRP A 70 69.227 4.302 3.681 1.00 1.00 H new ATOM 0 HB3 TRP A 70 69.302 2.838 2.721 1.00 1.00 H new ATOM 0 HD1 TRP A 70 66.842 1.833 1.898 1.00 1.00 H new ATOM 0 HE1 TRP A 70 64.713 3.087 1.148 1.00 1.00 H new ATOM 0 HE3 TRP A 70 67.832 6.393 3.971 1.00 1.00 H new ATOM 0 HZ2 TRP A 70 63.609 5.744 1.433 1.00 1.00 H new ATOM 0 HZ3 TRP A 70 66.232 8.263 3.718 1.00 1.00 H new ATOM 0 HH2 TRP A 70 64.124 7.948 2.455 1.00 1.00 H new ATOM 1043 N GLU A 71 70.615 2.094 5.721 1.00 1.00 N ATOM 1044 CA GLU A 71 71.824 1.268 5.989 1.00 1.00 C ATOM 1045 C GLU A 71 71.505 0.230 7.066 1.00 1.00 C ATOM 1046 O GLU A 71 72.354 -0.534 7.476 1.00 1.00 O ATOM 1047 CB GLU A 71 72.962 2.170 6.469 1.00 1.00 C ATOM 1048 CG GLU A 71 73.326 3.165 5.366 1.00 1.00 C ATOM 1049 CD GLU A 71 74.721 3.736 5.632 1.00 1.00 C ATOM 1050 OE1 GLU A 71 75.561 2.994 6.115 1.00 1.00 O ATOM 1051 OE2 GLU A 71 74.924 4.905 5.350 1.00 1.00 O ATOM 0 H GLU A 71 70.593 2.997 6.194 1.00 1.00 H new ATOM 0 HA GLU A 71 72.126 0.759 5.074 1.00 1.00 H new ATOM 0 HB2 GLU A 71 72.661 2.704 7.370 1.00 1.00 H new ATOM 0 HB3 GLU A 71 73.832 1.567 6.731 1.00 1.00 H new ATOM 0 HG2 GLU A 71 73.303 2.671 4.394 1.00 1.00 H new ATOM 0 HG3 GLU A 71 72.592 3.970 5.332 1.00 1.00 H new ATOM 1058 N ALA A 72 70.287 0.196 7.526 1.00 1.00 N ATOM 1059 CA ALA A 72 69.917 -0.797 8.572 1.00 1.00 C ATOM 1060 C ALA A 72 69.746 -2.173 7.923 1.00 1.00 C ATOM 1061 O ALA A 72 68.914 -2.961 8.325 1.00 1.00 O ATOM 1062 CB ALA A 72 68.603 -0.375 9.233 1.00 1.00 C ATOM 0 H ALA A 72 69.532 0.812 7.224 1.00 1.00 H new ATOM 0 HA ALA A 72 70.702 -0.845 9.327 1.00 1.00 H new ATOM 0 HB1 ALA A 72 68.331 -1.101 9.999 1.00 1.00 H new ATOM 0 HB2 ALA A 72 68.725 0.607 9.691 1.00 1.00 H new ATOM 0 HB3 ALA A 72 67.816 -0.329 8.481 1.00 1.00 H new ATOM 1068 N CYS A 73 70.528 -2.466 6.918 1.00 1.00 N ATOM 1069 CA CYS A 73 70.409 -3.788 6.241 1.00 1.00 C ATOM 1070 C CYS A 73 71.041 -4.872 7.117 1.00 1.00 C ATOM 1071 O CYS A 73 70.585 -5.998 7.154 1.00 1.00 O ATOM 1072 CB CYS A 73 71.124 -3.735 4.886 1.00 1.00 C ATOM 1073 SG CYS A 73 72.890 -4.056 5.118 1.00 1.00 S ATOM 0 H CYS A 73 71.243 -1.846 6.538 1.00 1.00 H new ATOM 0 HA CYS A 73 69.356 -4.022 6.084 1.00 1.00 H new ATOM 0 HB2 CYS A 73 70.696 -4.474 4.208 1.00 1.00 H new ATOM 0 HB3 CYS A 73 70.979 -2.758 4.425 1.00 1.00 H new ATOM 1078 N ASN A 74 72.085 -4.540 7.825 1.00 1.00 N ATOM 1079 CA ASN A 74 72.746 -5.549 8.702 1.00 1.00 C ATOM 1080 C ASN A 74 73.310 -6.684 7.841 1.00 1.00 C ATOM 1081 O ASN A 74 74.506 -6.813 7.674 1.00 1.00 O ATOM 1082 CB ASN A 74 71.720 -6.111 9.694 1.00 1.00 C ATOM 1083 CG ASN A 74 72.445 -6.655 10.926 1.00 1.00 C ATOM 1084 OD1 ASN A 74 73.643 -6.499 11.059 1.00 1.00 O ATOM 1085 ND2 ASN A 74 71.765 -7.291 11.841 1.00 1.00 N ATOM 0 H ASN A 74 72.510 -3.613 7.835 1.00 1.00 H new ATOM 0 HA ASN A 74 73.560 -5.078 9.253 1.00 1.00 H new ATOM 0 HB2 ASN A 74 71.017 -5.331 9.987 1.00 1.00 H new ATOM 0 HB3 ASN A 74 71.138 -6.903 9.222 1.00 1.00 H new ATOM 0 HD21 ASN A 74 72.239 -7.657 12.667 1.00 1.00 H new ATOM 0 HD22 ASN A 74 70.760 -7.422 11.730 1.00 1.00 H new ATOM 1092 N HIS A 75 72.458 -7.506 7.291 1.00 1.00 N ATOM 1093 CA HIS A 75 72.948 -8.627 6.440 1.00 1.00 C ATOM 1094 C HIS A 75 73.410 -8.072 5.091 1.00 1.00 C ATOM 1095 O HIS A 75 73.150 -6.934 4.756 1.00 1.00 O ATOM 1096 CB HIS A 75 71.816 -9.636 6.217 1.00 1.00 C ATOM 1097 CG HIS A 75 71.715 -10.548 7.409 1.00 1.00 C ATOM 1098 ND1 HIS A 75 72.831 -11.130 7.991 1.00 1.00 N ATOM 1099 CD2 HIS A 75 70.637 -10.988 8.139 1.00 1.00 C ATOM 1100 CE1 HIS A 75 72.406 -11.881 9.023 1.00 1.00 C ATOM 1101 NE2 HIS A 75 71.080 -11.828 9.156 1.00 1.00 N ATOM 0 H HIS A 75 71.445 -7.450 7.394 1.00 1.00 H new ATOM 0 HA HIS A 75 73.781 -9.124 6.937 1.00 1.00 H new ATOM 0 HB2 HIS A 75 70.872 -9.112 6.065 1.00 1.00 H new ATOM 0 HB3 HIS A 75 72.006 -10.218 5.315 1.00 1.00 H new ATOM 0 HD2 HIS A 75 69.607 -10.723 7.952 1.00 1.00 H new ATOM 0 HE1 HIS A 75 73.058 -12.456 9.664 1.00 1.00 H new ATOM 0 HE2 HIS A 75 70.510 -12.303 9.856 1.00 1.00 H new ATOM 1110 N CYS A 76 74.091 -8.868 4.315 1.00 1.00 N ATOM 1111 CA CYS A 76 74.568 -8.388 2.987 1.00 1.00 C ATOM 1112 C CYS A 76 75.376 -9.497 2.309 1.00 1.00 C ATOM 1113 O CYS A 76 76.541 -9.691 2.595 1.00 1.00 O ATOM 1114 CB CYS A 76 75.450 -7.148 3.178 1.00 1.00 C ATOM 1115 SG CYS A 76 74.650 -5.715 2.415 1.00 1.00 S ATOM 0 H CYS A 76 74.338 -9.831 4.543 1.00 1.00 H new ATOM 0 HA CYS A 76 73.713 -8.128 2.362 1.00 1.00 H new ATOM 0 HB2 CYS A 76 75.613 -6.964 4.240 1.00 1.00 H new ATOM 0 HB3 CYS A 76 76.430 -7.313 2.729 1.00 1.00 H new ATOM 1120 N GLU A 77 74.766 -10.225 1.414 1.00 1.00 N ATOM 1121 CA GLU A 77 75.498 -11.320 0.718 1.00 1.00 C ATOM 1122 C GLU A 77 76.780 -10.759 0.097 1.00 1.00 C ATOM 1123 O GLU A 77 76.820 -10.421 -1.069 1.00 1.00 O ATOM 1124 CB GLU A 77 74.611 -11.905 -0.383 1.00 1.00 C ATOM 1125 CG GLU A 77 73.238 -12.252 0.196 1.00 1.00 C ATOM 1126 CD GLU A 77 73.406 -13.234 1.356 1.00 1.00 C ATOM 1127 OE1 GLU A 77 74.018 -14.268 1.147 1.00 1.00 O ATOM 1128 OE2 GLU A 77 72.919 -12.936 2.434 1.00 1.00 O ATOM 0 H GLU A 77 73.792 -10.108 1.135 1.00 1.00 H new ATOM 0 HA GLU A 77 75.752 -12.102 1.434 1.00 1.00 H new ATOM 0 HB2 GLU A 77 74.503 -11.188 -1.197 1.00 1.00 H new ATOM 0 HB3 GLU A 77 75.076 -12.797 -0.803 1.00 1.00 H new ATOM 0 HG2 GLU A 77 72.738 -11.347 0.541 1.00 1.00 H new ATOM 0 HG3 GLU A 77 72.606 -12.690 -0.577 1.00 1.00 H new ATOM 1135 N LEU A 78 77.826 -10.657 0.868 1.00 1.00 N ATOM 1136 CA LEU A 78 79.105 -10.117 0.326 1.00 1.00 C ATOM 1137 C LEU A 78 80.199 -10.260 1.388 1.00 1.00 C ATOM 1138 O LEU A 78 80.039 -9.843 2.518 1.00 1.00 O ATOM 1139 CB LEU A 78 78.920 -8.632 -0.038 1.00 1.00 C ATOM 1140 CG LEU A 78 79.139 -8.439 -1.540 1.00 1.00 C ATOM 1141 CD1 LEU A 78 78.590 -7.076 -1.965 1.00 1.00 C ATOM 1142 CD2 LEU A 78 80.637 -8.502 -1.847 1.00 1.00 C ATOM 0 H LEU A 78 77.851 -10.925 1.852 1.00 1.00 H new ATOM 0 HA LEU A 78 79.392 -10.671 -0.568 1.00 1.00 H new ATOM 0 HB2 LEU A 78 77.919 -8.302 0.239 1.00 1.00 H new ATOM 0 HB3 LEU A 78 79.625 -8.019 0.524 1.00 1.00 H new ATOM 0 HG LEU A 78 78.620 -9.226 -2.087 1.00 1.00 H new ATOM 0 HD11 LEU A 78 78.746 -6.938 -3.035 1.00 1.00 H new ATOM 0 HD12 LEU A 78 77.524 -7.029 -1.745 1.00 1.00 H new ATOM 0 HD13 LEU A 78 79.109 -6.288 -1.419 1.00 1.00 H new ATOM 0 HD21 LEU A 78 80.795 -8.365 -2.917 1.00 1.00 H new ATOM 0 HD22 LEU A 78 81.154 -7.714 -1.300 1.00 1.00 H new ATOM 0 HD23 LEU A 78 81.030 -9.472 -1.544 1.00 1.00 H new ATOM 1154 N HIS A 79 81.309 -10.847 1.035 1.00 1.00 N ATOM 1155 CA HIS A 79 82.414 -11.018 2.022 1.00 1.00 C ATOM 1156 C HIS A 79 83.758 -10.898 1.302 1.00 1.00 C ATOM 1157 O HIS A 79 84.316 -11.873 0.841 1.00 1.00 O ATOM 1158 CB HIS A 79 82.309 -12.399 2.671 1.00 1.00 C ATOM 1159 CG HIS A 79 83.355 -12.530 3.744 1.00 1.00 C ATOM 1160 ND1 HIS A 79 84.489 -11.732 3.772 1.00 1.00 N ATOM 1161 CD2 HIS A 79 83.454 -13.362 4.833 1.00 1.00 C ATOM 1162 CE1 HIS A 79 85.215 -12.094 4.844 1.00 1.00 C ATOM 1163 NE2 HIS A 79 84.629 -13.082 5.523 1.00 1.00 N ATOM 0 H HIS A 79 81.500 -11.217 0.104 1.00 1.00 H new ATOM 0 HA HIS A 79 82.339 -10.248 2.790 1.00 1.00 H new ATOM 0 HB2 HIS A 79 81.316 -12.537 3.098 1.00 1.00 H new ATOM 0 HB3 HIS A 79 82.444 -13.177 1.920 1.00 1.00 H new ATOM 0 HD2 HIS A 79 82.732 -14.116 5.110 1.00 1.00 H new ATOM 0 HE1 HIS A 79 86.156 -11.641 5.121 1.00 1.00 H new ATOM 0 HE2 HIS A 79 84.971 -13.536 6.370 1.00 1.00 H new ATOM 1172 N GLU A 80 84.283 -9.707 1.202 1.00 1.00 N ATOM 1173 CA GLU A 80 85.590 -9.524 0.510 1.00 1.00 C ATOM 1174 C GLU A 80 86.383 -8.415 1.204 1.00 1.00 C ATOM 1175 O GLU A 80 86.756 -8.534 2.354 1.00 1.00 O ATOM 1176 CB GLU A 80 85.339 -9.147 -0.952 1.00 1.00 C ATOM 1177 CG GLU A 80 84.223 -8.103 -1.027 1.00 1.00 C ATOM 1178 CD GLU A 80 84.045 -7.649 -2.478 1.00 1.00 C ATOM 1179 OE1 GLU A 80 84.550 -8.329 -3.356 1.00 1.00 O ATOM 1180 OE2 GLU A 80 83.406 -6.631 -2.685 1.00 1.00 O ATOM 0 H GLU A 80 83.863 -8.853 1.570 1.00 1.00 H new ATOM 0 HA GLU A 80 86.161 -10.451 0.551 1.00 1.00 H new ATOM 0 HB2 GLU A 80 86.252 -8.752 -1.398 1.00 1.00 H new ATOM 0 HB3 GLU A 80 85.062 -10.032 -1.524 1.00 1.00 H new ATOM 0 HG2 GLU A 80 83.291 -8.524 -0.650 1.00 1.00 H new ATOM 0 HG3 GLU A 80 84.466 -7.249 -0.395 1.00 1.00 H new ATOM 1187 N LEU A 81 86.647 -7.337 0.517 1.00 1.00 N ATOM 1188 CA LEU A 81 87.418 -6.227 1.144 1.00 1.00 C ATOM 1189 C LEU A 81 86.596 -5.610 2.278 1.00 1.00 C ATOM 1190 O LEU A 81 87.134 -5.076 3.228 1.00 1.00 O ATOM 1191 CB LEU A 81 87.732 -5.156 0.093 1.00 1.00 C ATOM 1192 CG LEU A 81 86.477 -4.852 -0.727 1.00 1.00 C ATOM 1193 CD1 LEU A 81 86.385 -3.347 -0.982 1.00 1.00 C ATOM 1194 CD2 LEU A 81 86.553 -5.591 -2.065 1.00 1.00 C ATOM 0 H LEU A 81 86.363 -7.177 -0.449 1.00 1.00 H new ATOM 0 HA LEU A 81 88.352 -6.619 1.546 1.00 1.00 H new ATOM 0 HB2 LEU A 81 88.088 -4.248 0.580 1.00 1.00 H new ATOM 0 HB3 LEU A 81 88.532 -5.500 -0.563 1.00 1.00 H new ATOM 0 HG LEU A 81 85.595 -5.181 -0.177 1.00 1.00 H new ATOM 0 HD11 LEU A 81 85.491 -3.131 -1.566 1.00 1.00 H new ATOM 0 HD12 LEU A 81 86.333 -2.819 -0.030 1.00 1.00 H new ATOM 0 HD13 LEU A 81 87.266 -3.017 -1.532 1.00 1.00 H new ATOM 0 HD21 LEU A 81 85.659 -5.376 -2.651 1.00 1.00 H new ATOM 0 HD22 LEU A 81 87.435 -5.261 -2.614 1.00 1.00 H new ATOM 0 HD23 LEU A 81 86.619 -6.664 -1.885 1.00 1.00 H new ATOM 1206 N ALA A 82 85.296 -5.682 2.190 1.00 1.00 N ATOM 1207 CA ALA A 82 84.443 -5.104 3.266 1.00 1.00 C ATOM 1208 C ALA A 82 84.774 -5.791 4.591 1.00 1.00 C ATOM 1209 O ALA A 82 84.961 -5.147 5.604 1.00 1.00 O ATOM 1210 CB ALA A 82 82.969 -5.329 2.922 1.00 1.00 C ATOM 0 H ALA A 82 84.788 -6.116 1.419 1.00 1.00 H new ATOM 0 HA ALA A 82 84.632 -4.034 3.353 1.00 1.00 H new ATOM 0 HB1 ALA A 82 82.343 -4.907 3.708 1.00 1.00 H new ATOM 0 HB2 ALA A 82 82.738 -4.843 1.974 1.00 1.00 H new ATOM 0 HB3 ALA A 82 82.774 -6.398 2.838 1.00 1.00 H new ATOM 1216 N GLN A 83 84.856 -7.095 4.583 1.00 1.00 N ATOM 1217 CA GLN A 83 85.188 -7.849 5.829 1.00 1.00 C ATOM 1218 C GLN A 83 84.134 -7.597 6.915 1.00 1.00 C ATOM 1219 O GLN A 83 83.958 -8.402 7.808 1.00 1.00 O ATOM 1220 CB GLN A 83 86.570 -7.417 6.336 1.00 1.00 C ATOM 1221 CG GLN A 83 86.876 -8.126 7.657 1.00 1.00 C ATOM 1222 CD GLN A 83 86.713 -9.637 7.475 1.00 1.00 C ATOM 1223 OE1 GLN A 83 87.424 -10.247 6.701 1.00 1.00 O ATOM 1224 NE2 GLN A 83 85.801 -10.270 8.161 1.00 1.00 N ATOM 0 H GLN A 83 84.706 -7.676 3.758 1.00 1.00 H new ATOM 0 HA GLN A 83 85.197 -8.915 5.600 1.00 1.00 H new ATOM 0 HB2 GLN A 83 87.332 -7.660 5.596 1.00 1.00 H new ATOM 0 HB3 GLN A 83 86.596 -6.336 6.477 1.00 1.00 H new ATOM 0 HG2 GLN A 83 87.891 -7.895 7.979 1.00 1.00 H new ATOM 0 HG3 GLN A 83 86.205 -7.769 8.438 1.00 1.00 H new ATOM 0 HE21 GLN A 83 85.204 -9.758 8.811 1.00 1.00 H new ATOM 0 HE22 GLN A 83 85.685 -11.277 8.048 1.00 1.00 H new ATOM 1233 N TYR A 84 83.431 -6.496 6.852 1.00 1.00 N ATOM 1234 CA TYR A 84 82.391 -6.214 7.888 1.00 1.00 C ATOM 1235 C TYR A 84 81.114 -5.725 7.201 1.00 1.00 C ATOM 1236 O TYR A 84 80.148 -6.453 7.082 1.00 1.00 O ATOM 1237 CB TYR A 84 82.901 -5.137 8.853 1.00 1.00 C ATOM 1238 CG TYR A 84 82.060 -5.144 10.107 1.00 1.00 C ATOM 1239 CD1 TYR A 84 82.199 -6.180 11.038 1.00 1.00 C ATOM 1240 CD2 TYR A 84 81.140 -4.113 10.338 1.00 1.00 C ATOM 1241 CE1 TYR A 84 81.419 -6.186 12.200 1.00 1.00 C ATOM 1242 CE2 TYR A 84 80.360 -4.119 11.500 1.00 1.00 C ATOM 1243 CZ TYR A 84 80.499 -5.156 12.432 1.00 1.00 C ATOM 1244 OH TYR A 84 79.730 -5.162 13.577 1.00 1.00 O ATOM 0 H TYR A 84 83.531 -5.782 6.131 1.00 1.00 H new ATOM 0 HA TYR A 84 82.179 -7.125 8.448 1.00 1.00 H new ATOM 0 HB2 TYR A 84 83.946 -5.322 9.102 1.00 1.00 H new ATOM 0 HB3 TYR A 84 82.856 -4.157 8.378 1.00 1.00 H new ATOM 0 HD1 TYR A 84 82.908 -6.975 10.860 1.00 1.00 H new ATOM 0 HD2 TYR A 84 81.033 -3.314 9.620 1.00 1.00 H new ATOM 0 HE1 TYR A 84 81.527 -6.985 12.918 1.00 1.00 H new ATOM 0 HE2 TYR A 84 79.651 -3.324 11.678 1.00 1.00 H new ATOM 0 HH TYR A 84 79.145 -4.376 13.582 1.00 1.00 H new ATOM 1254 N GLY A 85 81.098 -4.502 6.750 1.00 1.00 N ATOM 1255 CA GLY A 85 79.879 -3.978 6.073 1.00 1.00 C ATOM 1256 C GLY A 85 80.162 -2.591 5.490 1.00 1.00 C ATOM 1257 O GLY A 85 79.553 -2.180 4.522 1.00 1.00 O ATOM 0 H GLY A 85 81.874 -3.844 6.820 1.00 1.00 H new ATOM 0 HA2 GLY A 85 79.572 -4.660 5.280 1.00 1.00 H new ATOM 0 HA3 GLY A 85 79.054 -3.922 6.783 1.00 1.00 H new ATOM 1261 N ILE A 86 81.079 -1.865 6.072 1.00 1.00 N ATOM 1262 CA ILE A 86 81.398 -0.503 5.554 1.00 1.00 C ATOM 1263 C ILE A 86 82.603 -0.586 4.609 1.00 1.00 C ATOM 1264 O ILE A 86 83.327 -1.561 4.597 1.00 1.00 O ATOM 1265 CB ILE A 86 81.701 0.420 6.743 1.00 1.00 C ATOM 1266 CG1 ILE A 86 81.959 1.839 6.232 1.00 1.00 C ATOM 1267 CG2 ILE A 86 82.941 -0.088 7.482 1.00 1.00 C ATOM 1268 CD1 ILE A 86 83.467 2.079 6.129 1.00 1.00 C ATOM 0 H ILE A 86 81.622 -2.157 6.885 1.00 1.00 H new ATOM 0 HA ILE A 86 80.552 -0.100 4.998 1.00 1.00 H new ATOM 0 HB ILE A 86 80.850 0.426 7.424 1.00 1.00 H new ATOM 0 HG12 ILE A 86 81.491 1.976 5.257 1.00 1.00 H new ATOM 0 HG13 ILE A 86 81.510 2.567 6.907 1.00 1.00 H new ATOM 0 HG21 ILE A 86 83.156 0.568 8.326 1.00 1.00 H new ATOM 0 HG22 ILE A 86 82.759 -1.099 7.845 1.00 1.00 H new ATOM 0 HG23 ILE A 86 83.793 -0.094 6.802 1.00 1.00 H new ATOM 0 HD11 ILE A 86 83.651 3.090 5.765 1.00 1.00 H new ATOM 0 HD12 ILE A 86 83.922 1.959 7.112 1.00 1.00 H new ATOM 0 HD13 ILE A 86 83.904 1.359 5.437 1.00 1.00 H new ATOM 1280 N CYS A 87 82.823 0.427 3.813 1.00 1.00 N ATOM 1281 CA CYS A 87 83.976 0.400 2.868 1.00 1.00 C ATOM 1282 C CYS A 87 85.266 0.729 3.625 1.00 1.00 C ATOM 1283 CB CYS A 87 83.752 1.437 1.764 1.00 1.00 C ATOM 1284 SG CYS A 87 83.045 2.941 2.482 1.00 1.00 S ATOM 0 H CYS A 87 82.253 1.272 3.777 1.00 1.00 H new ATOM 0 HA CYS A 87 84.060 -0.592 2.424 1.00 1.00 H new ATOM 0 HB2 CYS A 87 84.696 1.666 1.269 1.00 1.00 H new ATOM 0 HB3 CYS A 87 83.083 1.035 1.003 1.00 1.00 H new TER 1289 CYS A 87 HETATM 1290 C1C RCY A 110 63.045 -1.441 10.625 1.00 1.00 C HETATM 1291 O1G RCY A 110 65.120 -4.425 14.734 1.00 1.00 O HETATM 1292 O1H RCY A 110 61.895 -1.370 13.132 1.00 1.00 O HETATM 1293 O1J RCY A 110 64.877 -2.420 8.445 1.00 1.00 O HETATM 1294 C1L RCY A 110 63.048 -3.529 15.677 1.00 1.00 C HETATM 1295 C1M RCY A 110 65.629 -3.721 11.973 1.00 1.00 C HETATM 1296 C1P RCY A 110 64.155 -3.670 14.626 1.00 1.00 C HETATM 1297 C1Q RCY A 110 62.674 -1.981 13.862 1.00 1.00 C HETATM 1298 N1R RCY A 110 63.912 -2.754 13.427 1.00 1.00 N HETATM 1299 C1S RCY A 110 62.576 -2.103 15.372 1.00 1.00 C HETATM 1300 C1U RCY A 110 64.701 -2.637 12.121 1.00 1.00 C HETATM 1301 C1V RCY A 110 62.883 -3.951 10.947 1.00 1.00 C HETATM 1302 N1V RCY A 110 64.874 -2.944 9.808 1.00 1.00 N HETATM 1303 C1W RCY A 110 65.932 -3.822 10.473 1.00 1.00 C HETATM 1304 C1X RCY A 110 63.814 -2.739 10.881 1.00 1.00 C HETATM 1305 C1Y RCY A 110 65.804 -5.271 9.994 1.00 1.00 C HETATM 1306 C1Z RCY A 110 67.319 -3.268 10.147 1.00 1.00 C HETATM 0 H1ZB RCY A 110 67.370 -2.220 10.441 1.00 1.00 H new HETATM 0 H1ZA RCY A 110 68.074 -3.835 10.692 1.00 1.00 H new HETATM 0 H1YB RCY A 110 66.509 -5.898 10.540 1.00 1.00 H new HETATM 0 H1YA RCY A 110 64.789 -5.625 10.174 1.00 1.00 H new HETATM 0 H1VB RCY A 110 62.165 -3.815 11.756 1.00 1.00 H new HETATM 0 H1VA RCY A 110 62.349 -4.052 10.002 1.00 1.00 H new HETATM 0 H1MA RCY A 110 66.540 -3.535 12.542 1.00 1.00 H new HETATM 0 H1LA RCY A 110 62.256 -4.267 15.550 1.00 1.00 H new HETATM 0 H1CB RCY A 110 62.410 -1.219 11.483 1.00 1.00 H new HETATM 0 H1CA RCY A 110 63.750 -0.624 10.475 1.00 1.00 H new HETATM 0 H1Z RCY A 110 67.503 -3.354 9.076 1.00 1.00 H new HETATM 0 H1Y RCY A 110 66.023 -5.322 8.927 1.00 1.00 H new HETATM 0 H1V RCY A 110 63.470 -4.851 11.130 1.00 1.00 H new HETATM 0 H1U RCY A 110 65.187 -1.664 12.187 1.00 1.00 H new HETATM 0 H1S RCY A 110 63.202 -1.363 15.871 1.00 1.00 H new HETATM 0 H1M RCY A 110 65.203 -4.652 12.348 1.00 1.00 H new HETATM 0 H1L RCY A 110 63.423 -3.636 16.695 1.00 1.00 H new HETATM 0 H1C RCY A 110 62.426 -1.554 9.735 1.00 1.00 H new HETATM 1309 C1C RCY A 121 61.598 0.423 1.575 1.00 1.00 C HETATM 1310 O1G RCY A 121 58.562 -2.837 2.621 1.00 1.00 O HETATM 1311 O1H RCY A 121 61.936 -2.282 -0.636 1.00 1.00 O HETATM 1312 O1J RCY A 121 59.388 0.850 3.576 1.00 1.00 O HETATM 1313 C1L RCY A 121 58.607 -3.122 0.191 1.00 1.00 C HETATM 1314 C1M RCY A 121 61.240 -2.499 3.818 1.00 1.00 C HETATM 1315 C1P RCY A 121 59.186 -2.757 1.564 1.00 1.00 C HETATM 1316 C1Q RCY A 121 60.853 -2.270 -0.052 1.00 1.00 C HETATM 1317 N1R RCY A 121 60.633 -2.280 1.455 1.00 1.00 N HETATM 1318 C1S RCY A 121 59.484 -2.241 -0.706 1.00 1.00 C HETATM 1319 C1U RCY A 121 61.617 -1.907 2.566 1.00 1.00 C HETATM 1320 C1V RCY A 121 62.821 -0.021 3.751 1.00 1.00 C HETATM 1321 N1V RCY A 121 60.332 -0.263 3.625 1.00 1.00 N HETATM 1322 C1W RCY A 121 60.227 -1.540 4.456 1.00 1.00 C HETATM 1323 C1X RCY A 121 61.640 -0.408 2.860 1.00 1.00 C HETATM 1324 C1Y RCY A 121 60.595 -1.262 5.916 1.00 1.00 C HETATM 1325 C1Z RCY A 121 58.803 -2.088 4.354 1.00 1.00 C HETATM 0 H1ZB RCY A 121 58.539 -2.223 3.305 1.00 1.00 H new HETATM 0 H1ZA RCY A 121 58.744 -3.047 4.869 1.00 1.00 H new HETATM 0 H1YB RCY A 121 60.596 -2.198 6.475 1.00 1.00 H new HETATM 0 H1YA RCY A 121 61.586 -0.810 5.962 1.00 1.00 H new HETATM 0 H1VB RCY A 121 63.753 -0.182 3.210 1.00 1.00 H new HETATM 0 H1VA RCY A 121 62.739 1.030 4.027 1.00 1.00 H new HETATM 0 H1MA RCY A 121 60.801 -3.485 3.666 1.00 1.00 H new HETATM 0 H1LA RCY A 121 58.710 -4.183 -0.037 1.00 1.00 H new HETATM 0 H1CB RCY A 121 62.463 0.182 0.957 1.00 1.00 H new HETATM 0 H1CA RCY A 121 60.685 0.196 1.025 1.00 1.00 H new HETATM 0 H1Z RCY A 121 58.109 -1.385 4.815 1.00 1.00 H new HETATM 0 H1Y RCY A 121 59.865 -0.580 6.352 1.00 1.00 H new HETATM 0 H1V RCY A 121 62.813 -0.635 4.652 1.00 1.00 H new HETATM 0 H1U RCY A 121 62.581 -2.259 2.199 1.00 1.00 H new HETATM 0 H1S RCY A 121 59.095 -1.225 -0.766 1.00 1.00 H new HETATM 0 H1M RCY A 121 62.109 -2.633 4.463 1.00 1.00 H new HETATM 0 H1L RCY A 121 57.548 -2.879 0.107 1.00 1.00 H new HETATM 0 H1C RCY A 121 61.616 1.483 1.827 1.00 1.00 H new HETATM 1328 C1C RCY A 130 76.692 2.648 -10.464 1.00 1.00 C HETATM 1329 O1G RCY A 130 74.438 5.299 -13.947 1.00 1.00 O HETATM 1330 O1H RCY A 130 75.385 0.692 -13.521 1.00 1.00 O HETATM 1331 O1J RCY A 130 74.931 2.155 -8.071 1.00 1.00 O HETATM 1332 C1L RCY A 130 75.173 3.587 -15.533 1.00 1.00 C HETATM 1333 C1M RCY A 130 73.112 2.759 -11.393 1.00 1.00 C HETATM 1334 C1P RCY A 130 74.780 4.136 -14.155 1.00 1.00 C HETATM 1335 C1Q RCY A 130 75.437 1.877 -13.848 1.00 1.00 C HETATM 1336 N1R RCY A 130 74.866 3.059 -13.075 1.00 1.00 N HETATM 1337 C1S RCY A 130 76.085 2.432 -15.104 1.00 1.00 C HETATM 1338 C1U RCY A 130 74.481 3.137 -11.596 1.00 1.00 C HETATM 1339 C1V RCY A 130 75.250 0.742 -11.308 1.00 1.00 C HETATM 1340 N1V RCY A 130 74.446 2.212 -9.447 1.00 1.00 N HETATM 1341 C1W RCY A 130 72.999 2.338 -9.922 1.00 1.00 C HETATM 1342 C1X RCY A 130 75.268 2.157 -10.727 1.00 1.00 C HETATM 1343 C1Y RCY A 130 72.276 0.994 -9.800 1.00 1.00 C HETATM 1344 C1Z RCY A 130 72.291 3.408 -9.091 1.00 1.00 C HETATM 0 H1ZB RCY A 130 72.854 4.340 -9.142 1.00 1.00 H new HETATM 0 H1ZA RCY A 130 71.287 3.568 -9.484 1.00 1.00 H new HETATM 0 H1YB RCY A 130 71.274 1.080 -10.220 1.00 1.00 H new HETATM 0 H1YA RCY A 130 72.833 0.231 -10.344 1.00 1.00 H new HETATM 0 H1VB RCY A 130 75.795 0.729 -12.252 1.00 1.00 H new HETATM 0 H1VA RCY A 130 75.723 0.055 -10.607 1.00 1.00 H new HETATM 0 H1MA RCY A 130 72.442 3.590 -11.613 1.00 1.00 H new HETATM 0 H1LA RCY A 130 74.312 3.247 -16.108 1.00 1.00 H new HETATM 0 H1CB RCY A 130 77.218 2.763 -11.412 1.00 1.00 H new HETATM 0 H1CA RCY A 130 76.657 3.608 -9.950 1.00 1.00 H new HETATM 0 H1Z RCY A 130 72.227 3.080 -8.054 1.00 1.00 H new HETATM 0 H1Y RCY A 130 72.206 0.713 -8.749 1.00 1.00 H new HETATM 0 H1V RCY A 130 74.219 0.432 -11.480 1.00 1.00 H new HETATM 0 H1U RCY A 130 74.684 4.171 -11.319 1.00 1.00 H new HETATM 0 H1S RCY A 130 77.099 2.780 -14.906 1.00 1.00 H new HETATM 0 H1M RCY A 130 72.832 1.940 -12.055 1.00 1.00 H new HETATM 0 H1L RCY A 130 75.693 4.325 -16.144 1.00 1.00 H new HETATM 0 H1C RCY A 130 77.218 1.923 -9.843 1.00 1.00 H new HETATM 1347 C1C RCY A 138 85.217 5.120 -4.569 1.00 1.00 C HETATM 1348 O1G RCY A 138 80.948 3.966 -6.983 1.00 1.00 O HETATM 1349 O1H RCY A 138 85.341 5.676 -7.248 1.00 1.00 O HETATM 1350 O1J RCY A 138 82.806 5.468 -2.798 1.00 1.00 O HETATM 1351 C1L RCY A 138 81.954 5.812 -8.235 1.00 1.00 C HETATM 1352 C1M RCY A 138 82.682 2.506 -5.231 1.00 1.00 C HETATM 1353 C1P RCY A 138 81.941 4.644 -7.240 1.00 1.00 C HETATM 1354 C1Q RCY A 138 84.116 5.590 -7.184 1.00 1.00 C HETATM 1355 N1R RCY A 138 83.315 4.429 -6.608 1.00 1.00 N HETATM 1356 C1S RCY A 138 83.119 6.628 -7.666 1.00 1.00 C HETATM 1357 C1U RCY A 138 83.778 3.335 -5.644 1.00 1.00 C HETATM 1358 C1V RCY A 138 85.052 2.819 -3.517 1.00 1.00 C HETATM 1359 N1V RCY A 138 83.037 4.301 -3.645 1.00 1.00 N HETATM 1360 C1W RCY A 138 82.034 3.218 -4.037 1.00 1.00 C HETATM 1361 C1X RCY A 138 84.332 3.894 -4.334 1.00 1.00 C HETATM 1362 C1Y RCY A 138 81.821 2.241 -2.878 1.00 1.00 C HETATM 1363 C1Z RCY A 138 80.714 3.879 -4.434 1.00 1.00 C HETATM 0 H1ZB RCY A 138 80.896 4.614 -5.218 1.00 1.00 H new HETATM 0 H1ZA RCY A 138 80.023 3.120 -4.801 1.00 1.00 H new HETATM 0 H1YB RCY A 138 81.169 1.430 -3.201 1.00 1.00 H new HETATM 0 H1YA RCY A 138 82.782 1.832 -2.566 1.00 1.00 H new HETATM 0 H1VB RCY A 138 85.947 2.497 -4.049 1.00 1.00 H new HETATM 0 H1VA RCY A 138 85.334 3.227 -2.546 1.00 1.00 H new HETATM 0 H1MA RCY A 138 81.966 2.375 -6.042 1.00 1.00 H new HETATM 0 H1LA RCY A 138 82.134 5.486 -9.259 1.00 1.00 H new HETATM 0 H1CB RCY A 138 86.058 4.845 -5.206 1.00 1.00 H new HETATM 0 H1CA RCY A 138 84.634 5.902 -5.055 1.00 1.00 H new HETATM 0 H1Z RCY A 138 80.280 4.375 -3.566 1.00 1.00 H new HETATM 0 H1Y RCY A 138 81.360 2.765 -2.040 1.00 1.00 H new HETATM 0 H1V RCY A 138 84.389 1.966 -3.373 1.00 1.00 H new HETATM 0 H1U RCY A 138 84.540 2.790 -6.201 1.00 1.00 H new HETATM 0 H1S RCY A 138 82.791 7.271 -6.849 1.00 1.00 H new HETATM 0 H1M RCY A 138 83.030 1.512 -4.950 1.00 1.00 H new HETATM 0 H1L RCY A 138 81.017 6.368 -8.238 1.00 1.00 H new HETATM 0 H1C RCY A 138 85.591 5.487 -3.613 1.00 1.00 H new HETATM 1366 C1C RCY A 150 84.675 3.363 -0.715 1.00 1.00 C HETATM 1367 O1G RCY A 150 88.368 7.396 -0.022 1.00 1.00 O HETATM 1368 O1H RCY A 150 83.968 5.986 -0.997 1.00 1.00 O HETATM 1369 O1J RCY A 150 86.296 1.087 0.408 1.00 1.00 O HETATM 1370 C1L RCY A 150 86.277 8.598 -0.436 1.00 1.00 C HETATM 1371 C1M RCY A 150 88.037 4.503 0.327 1.00 1.00 C HETATM 1372 C1P RCY A 150 87.173 7.359 -0.311 1.00 1.00 C HETATM 1373 C1Q RCY A 150 85.030 6.608 -0.996 1.00 1.00 C HETATM 1374 N1R RCY A 150 86.397 6.073 -0.588 1.00 1.00 N HETATM 1375 C1S RCY A 150 85.218 8.058 -1.403 1.00 1.00 C HETATM 1376 C1U RCY A 150 86.861 4.619 -0.486 1.00 1.00 C HETATM 1377 C1V RCY A 150 85.361 4.319 1.531 1.00 1.00 C HETATM 1378 N1V RCY A 150 86.701 2.488 0.469 1.00 1.00 N HETATM 1379 C1W RCY A 150 88.081 3.047 0.810 1.00 1.00 C HETATM 1380 C1X RCY A 150 85.842 3.718 0.208 1.00 1.00 C HETATM 1381 C1Y RCY A 150 88.325 2.988 2.320 1.00 1.00 C HETATM 1382 C1Z RCY A 150 89.145 2.245 0.060 1.00 1.00 C HETATM 0 H1ZB RCY A 150 88.920 2.250 -1.006 1.00 1.00 H new HETATM 0 H1ZA RCY A 150 90.124 2.695 0.226 1.00 1.00 H new HETATM 0 H1YB RCY A 150 89.276 3.466 2.554 1.00 1.00 H new HETATM 0 H1YA RCY A 150 87.520 3.508 2.839 1.00 1.00 H new HETATM 0 H1VB RCY A 150 84.794 5.229 1.333 1.00 1.00 H new HETATM 0 H1VA RCY A 150 84.725 3.600 2.047 1.00 1.00 H new HETATM 0 H1MA RCY A 150 88.931 4.751 -0.245 1.00 1.00 H new HETATM 0 H1LA RCY A 150 85.852 8.904 0.520 1.00 1.00 H new HETATM 0 H1CB RCY A 150 84.167 4.276 -1.027 1.00 1.00 H new HETATM 0 H1CA RCY A 150 85.052 2.839 -1.593 1.00 1.00 H new HETATM 0 H1Z RCY A 150 89.151 1.218 0.425 1.00 1.00 H new HETATM 0 H1Y RCY A 150 88.353 1.948 2.644 1.00 1.00 H new HETATM 0 H1V RCY A 150 86.221 4.557 2.157 1.00 1.00 H new HETATM 0 H1S RCY A 150 85.549 8.139 -2.438 1.00 1.00 H new HETATM 0 H1M RCY A 150 87.997 5.192 1.171 1.00 1.00 H new HETATM 0 H1L RCY A 150 86.810 9.460 -0.839 1.00 1.00 H new HETATM 0 H1C RCY A 150 83.973 2.721 -0.183 1.00 1.00 H new HETATM 1385 C1C RCY A 160 73.940 10.206 0.151 1.00 1.00 C HETATM 1386 O1G RCY A 160 72.893 12.302 -1.224 1.00 1.00 O HETATM 1387 O1H RCY A 160 68.869 9.995 -2.108 1.00 1.00 O HETATM 1388 O1J RCY A 160 74.098 7.401 1.234 1.00 1.00 O HETATM 1389 C1L RCY A 160 70.971 12.777 -2.662 1.00 1.00 C HETATM 1390 C1M RCY A 160 70.838 8.320 -0.564 1.00 1.00 C HETATM 1391 C1P RCY A 160 71.806 11.948 -1.678 1.00 1.00 C HETATM 1392 C1Q RCY A 160 69.898 10.656 -2.241 1.00 1.00 C HETATM 1393 N1R RCY A 160 71.121 10.627 -1.333 1.00 1.00 N HETATM 1394 C1S RCY A 160 70.183 11.655 -3.347 1.00 1.00 C HETATM 1395 C1U RCY A 160 71.544 9.547 -0.334 1.00 1.00 C HETATM 1396 C1V RCY A 160 73.390 8.854 -1.922 1.00 1.00 C HETATM 1397 N1V RCY A 160 73.034 7.880 0.357 1.00 1.00 N HETATM 1398 C1W RCY A 160 71.692 7.212 0.066 1.00 1.00 C HETATM 1399 C1X RCY A 160 73.015 9.158 -0.471 1.00 1.00 C HETATM 1400 C1Y RCY A 160 71.874 6.050 -0.914 1.00 1.00 C HETATM 1401 C1Z RCY A 160 71.083 6.719 1.379 1.00 1.00 C HETATM 0 H1ZB RCY A 160 71.017 7.548 2.083 1.00 1.00 H new HETATM 0 H1ZA RCY A 160 70.085 6.322 1.191 1.00 1.00 H new HETATM 0 H1YB RCY A 160 70.899 5.639 -1.176 1.00 1.00 H new HETATM 0 H1YA RCY A 160 72.370 6.409 -1.816 1.00 1.00 H new HETATM 0 H1VB RCY A 160 73.319 9.766 -2.515 1.00 1.00 H new HETATM 0 H1VA RCY A 160 74.411 8.474 -1.962 1.00 1.00 H new HETATM 0 H1MA RCY A 160 69.846 8.351 -0.113 1.00 1.00 H new HETATM 0 H1LA RCY A 160 70.323 13.495 -2.158 1.00 1.00 H new HETATM 0 H1CB RCY A 160 73.792 11.164 -0.348 1.00 1.00 H new HETATM 0 H1CA RCY A 160 73.711 10.310 1.212 1.00 1.00 H new HETATM 0 H1Z RCY A 160 71.712 5.934 1.800 1.00 1.00 H new HETATM 0 H1Y RCY A 160 72.482 5.274 -0.449 1.00 1.00 H new HETATM 0 H1V RCY A 160 72.708 8.105 -2.325 1.00 1.00 H new HETATM 0 H1U RCY A 160 71.334 9.985 0.642 1.00 1.00 H new HETATM 0 H1S RCY A 160 70.760 11.201 -4.153 1.00 1.00 H new HETATM 0 H1M RCY A 160 70.698 8.145 -1.631 1.00 1.00 H new HETATM 0 H1C RCY A 160 74.977 9.892 0.033 1.00 1.00 H new HETATM 1404 C1C RCY A 168 76.011 4.410 2.393 1.00 1.00 C HETATM 1405 O1G RCY A 168 71.718 2.313 4.645 1.00 1.00 O HETATM 1406 O1H RCY A 168 73.384 6.358 2.866 1.00 1.00 O HETATM 1407 O1J RCY A 168 76.432 2.910 -0.183 1.00 1.00 O HETATM 1408 C1L RCY A 168 71.324 4.668 5.183 1.00 1.00 C HETATM 1409 C1M RCY A 168 72.946 2.600 1.384 1.00 1.00 C HETATM 1410 C1P RCY A 168 71.977 3.497 4.437 1.00 1.00 C HETATM 1411 C1Q RCY A 168 72.995 5.490 3.645 1.00 1.00 C HETATM 1412 N1R RCY A 168 72.990 3.986 3.402 1.00 1.00 N HETATM 1413 C1S RCY A 168 72.426 5.722 5.034 1.00 1.00 C HETATM 1414 C1U RCY A 168 73.798 3.181 2.381 1.00 1.00 C HETATM 1415 C1V RCY A 168 74.081 5.286 1.002 1.00 1.00 C HETATM 1416 N1V RCY A 168 75.134 3.078 0.462 1.00 1.00 N HETATM 1417 C1W RCY A 168 73.839 2.322 0.168 1.00 1.00 C HETATM 1418 C1X RCY A 168 74.768 4.046 1.579 1.00 1.00 C HETATM 1419 C1Y RCY A 168 73.188 2.854 -1.112 1.00 1.00 C HETATM 1420 C1Z RCY A 168 74.149 0.831 0.036 1.00 1.00 C HETATM 0 H1YB RCY A 168 72.226 2.364 -1.262 1.00 1.00 H new HETATM 0 H1YA RCY A 168 73.037 3.930 -1.024 1.00 1.00 H new HETATM 0 H1VB RCY A 168 73.776 5.944 1.815 1.00 1.00 H new HETATM 0 H1VA RCY A 168 74.774 5.815 0.348 1.00 1.00 H new HETATM 0 H1MA RCY A 168 72.489 1.680 1.750 1.00 1.00 H new HETATM 0 H1LA RCY A 168 70.384 4.980 4.728 1.00 1.00 H new HETATM 0 H1CB RCY A 168 75.714 4.965 3.283 1.00 1.00 H new HETATM 0 H1CA RCY A 168 76.531 3.499 2.690 1.00 1.00 H new HETATM 0 H1Z RCY A 168 74.783 0.667 -0.835 1.00 1.00 H new HETATM 0 H1Y RCY A 168 73.837 2.647 -1.963 1.00 1.00 H new HETATM 0 H1V RCY A 168 73.203 4.983 0.431 1.00 1.00 H new HETATM 0 H1U RCY A 168 74.324 2.438 2.980 1.00 1.00 H new HETATM 0 H1S RCY A 168 73.192 5.605 5.801 1.00 1.00 H new HETATM 0 H1M RCY A 168 72.133 3.278 1.123 1.00 1.00 H new HETATM 0 H1L RCY A 168 71.111 4.432 6.226 1.00 1.00 H new HETATM 0 H1C RCY A 168 76.676 5.026 1.787 1.00 1.00 H new HETATM 1423 C1C RCY A 173 74.613 -2.582 -0.318 1.00 1.00 C HETATM 1424 O1G RCY A 173 76.330 -0.992 2.843 1.00 1.00 O HETATM 1425 O1H RCY A 173 71.967 -2.776 2.564 1.00 1.00 O HETATM 1426 O1J RCY A 173 71.691 -3.302 -0.402 1.00 1.00 O HETATM 1427 C1L RCY A 173 75.104 -2.634 4.180 1.00 1.00 C HETATM 1428 C1M RCY A 173 72.526 0.136 1.077 1.00 1.00 C HETATM 1429 C1P RCY A 173 75.285 -1.603 3.058 1.00 1.00 C HETATM 1430 C1Q RCY A 173 73.023 -2.317 2.997 1.00 1.00 C HETATM 1431 N1R RCY A 173 74.005 -1.430 2.242 1.00 1.00 N HETATM 1432 C1S RCY A 173 73.589 -2.530 4.389 1.00 1.00 C HETATM 1433 C1U RCY A 173 73.762 -0.587 0.988 1.00 1.00 C HETATM 1434 C1V RCY A 173 73.656 -0.579 -1.542 1.00 1.00 C HETATM 1435 N1V RCY A 173 72.197 -1.976 -0.061 1.00 1.00 N HETATM 1436 C1W RCY A 173 71.433 -0.823 0.588 1.00 1.00 C HETATM 1437 C1X RCY A 173 73.603 -1.434 -0.274 1.00 1.00 C HETATM 1438 C1Y RCY A 173 70.531 -0.133 -0.438 1.00 1.00 C HETATM 1439 C1Z RCY A 173 70.607 -1.365 1.755 1.00 1.00 C HETATM 0 H1ZA RCY A 173 70.132 -0.536 2.280 1.00 1.00 H new HETATM 0 H1YB RCY A 173 70.059 0.737 0.019 1.00 1.00 H new HETATM 0 H1YA RCY A 173 71.129 0.186 -1.292 1.00 1.00 H new HETATM 0 H1VB RCY A 173 74.653 -0.152 -1.652 1.00 1.00 H new HETATM 0 H1VA RCY A 173 73.430 -1.200 -2.409 1.00 1.00 H new HETATM 0 H1MA RCY A 173 72.334 0.455 2.102 1.00 1.00 H new HETATM 0 H1LA RCY A 173 75.417 -3.635 3.882 1.00 1.00 H new HETATM 0 H1CB RCY A 173 75.625 -2.177 -0.303 1.00 1.00 H new HETATM 0 H1CA RCY A 173 74.468 -3.228 0.548 1.00 1.00 H new HETATM 0 H1Y RCY A 173 69.762 -0.829 -0.773 1.00 1.00 H new HETATM 0 H1V RCY A 173 72.923 0.225 -1.470 1.00 1.00 H new HETATM 0 H1S RCY A 173 73.336 -1.701 5.051 1.00 1.00 H new HETATM 0 H1M RCY A 173 72.557 1.036 0.464 1.00 1.00 H new HETATM 0 H1L RCY A 173 75.668 -2.378 5.077 1.00 1.00 H new HETATM 0 H1C RCY A 173 74.467 -3.160 -1.230 1.00 1.00 H new HETATM 1442 C1C RCY A 176 69.330 -4.791 0.243 1.00 1.00 C HETATM 1443 O1G RCY A 176 70.490 -5.651 5.431 1.00 1.00 O HETATM 1444 O1H RCY A 176 72.242 -4.362 1.239 1.00 1.00 O HETATM 1445 O1J RCY A 176 67.046 -2.828 0.312 1.00 1.00 O HETATM 1446 C1L RCY A 176 72.721 -5.786 4.435 1.00 1.00 C HETATM 1447 C1M RCY A 176 68.964 -3.282 3.602 1.00 1.00 C HETATM 1448 C1P RCY A 176 71.221 -5.466 4.459 1.00 1.00 C HETATM 1449 C1Q RCY A 176 72.005 -4.988 2.271 1.00 1.00 C HETATM 1450 N1R RCY A 176 70.747 -4.891 3.125 1.00 1.00 N HETATM 1451 C1S RCY A 176 72.918 -6.005 2.931 1.00 1.00 C HETATM 1452 C1U RCY A 176 69.369 -4.352 2.737 1.00 1.00 C HETATM 1453 C1V RCY A 176 70.491 -2.728 1.151 1.00 1.00 C HETATM 1454 N1V RCY A 176 68.013 -2.997 1.394 1.00 1.00 N HETATM 1455 C1W RCY A 176 67.909 -2.482 2.828 1.00 1.00 C HETATM 1456 C1X RCY A 176 69.348 -3.727 1.343 1.00 1.00 C HETATM 1457 C1Y RCY A 176 68.223 -0.984 2.882 1.00 1.00 C HETATM 1458 C1Z RCY A 176 66.502 -2.757 3.358 1.00 1.00 C HETATM 0 H1ZB RCY A 176 66.275 -3.818 3.255 1.00 1.00 H new HETATM 0 H1ZA RCY A 176 66.448 -2.475 4.409 1.00 1.00 H new HETATM 0 H1YB RCY A 176 68.228 -0.650 3.920 1.00 1.00 H new HETATM 0 H1YA RCY A 176 69.201 -0.801 2.437 1.00 1.00 H new HETATM 0 H1VB RCY A 176 71.444 -3.257 1.172 1.00 1.00 H new HETATM 0 H1MA RCY A 176 68.552 -3.669 4.534 1.00 1.00 H new HETATM 0 H1CB RCY A 176 70.221 -5.414 0.325 1.00 1.00 H new HETATM 0 H1CA RCY A 176 68.441 -5.412 0.352 1.00 1.00 H new HETATM 0 H1Z RCY A 176 65.778 -2.175 2.788 1.00 1.00 H new HETATM 0 H1Y RCY A 176 67.464 -0.433 2.327 1.00 1.00 H new HETATM 0 H1U RCY A 176 68.714 -5.221 2.797 1.00 1.00 H new HETATM 0 H1S RCY A 176 72.653 -7.022 2.641 1.00 1.00 H new HETATM 0 H1M RCY A 176 69.814 -2.652 3.866 1.00 1.00 H new HETATM 0 H1C RCY A 176 69.315 -4.305 -0.733 1.00 1.00 H new HETATM 1461 C1C RCY A 187 79.546 1.951 -1.058 1.00 1.00 C HETATM 1462 O1G RCY A 187 78.092 3.175 3.828 1.00 1.00 O HETATM 1463 O1H RCY A 187 81.099 2.927 0.196 1.00 1.00 O HETATM 1464 O1J RCY A 187 78.703 -0.734 0.014 1.00 1.00 O HETATM 1465 C1L RCY A 187 80.533 3.234 3.668 1.00 1.00 C HETATM 1466 C1M RCY A 187 76.733 2.284 1.323 1.00 1.00 C HETATM 1467 C1P RCY A 187 79.102 3.108 3.129 1.00 1.00 C HETATM 1468 C1Q RCY A 187 80.572 2.777 1.297 1.00 1.00 C HETATM 1469 N1R RCY A 187 79.087 2.890 1.617 1.00 1.00 N HETATM 1470 C1S RCY A 187 81.287 2.443 2.594 1.00 1.00 C HETATM 1471 C1U RCY A 187 77.895 2.804 0.662 1.00 1.00 C HETATM 1472 C1V RCY A 187 77.066 1.976 -1.583 1.00 1.00 C HETATM 1473 N1V RCY A 187 77.962 0.504 0.234 1.00 1.00 N HETATM 1474 C1W RCY A 187 76.845 0.756 1.246 1.00 1.00 C HETATM 1475 C1X RCY A 187 78.129 1.831 -0.492 1.00 1.00 C HETATM 1476 C1Y RCY A 187 75.530 0.144 0.755 1.00 1.00 C HETATM 1477 C1Z RCY A 187 77.247 0.160 2.595 1.00 1.00 C HETATM 0 H1ZB RCY A 187 78.213 0.563 2.898 1.00 1.00 H new HETATM 0 H1VB RCY A 187 77.163 2.952 -2.058 1.00 1.00 H new HETATM 0 H1VA RCY A 187 77.203 1.194 -2.330 1.00 1.00 H new HETATM 0 H1MA RCY A 187 76.692 2.620 2.359 1.00 1.00 H new HETATM 0 H1LA RCY A 187 80.865 4.270 3.733 1.00 1.00 H new HETATM 0 H1CB RCY A 187 79.706 2.964 -1.427 1.00 1.00 H new HETATM 0 H1CA RCY A 187 80.271 1.732 -0.274 1.00 1.00 H new HETATM 0 H1Y RCY A 187 75.629 -0.940 0.707 1.00 1.00 H new HETATM 0 H1V RCY A 187 76.075 1.885 -1.139 1.00 1.00 H new HETATM 0 H1U RCY A 187 77.763 3.825 0.305 1.00 1.00 H new HETATM 0 H1S RCY A 187 81.259 1.373 2.798 1.00 1.00 H new HETATM 0 H1L RCY A 187 80.645 2.800 4.662 1.00 1.00 H new HETATM 0 H1C RCY A 187 79.672 1.242 -1.877 1.00 1.00 H new