USER MOD reduce.3.24.130724 H: found=0, std=0, add=661, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 653 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 43 HIS : no HD1:sc= 0 X(o=0.82,f=0.66) USER MOD Set 1.2: A 57 SER OG : rot 63:sc= 0.823 USER MOD Set 2.1: A 27 THR OG1 : rot 89:sc= 0.16 USER MOD Set 2.2: A 28 HIS : no HD1:sc= -0.906 K(o=-0.75,f=-3.5) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 ASN : amide:sc= 0 X(o=0,f=-0.14) USER MOD Single : A 13 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 HIS : no HD1:sc= 0 X(o=0,f=-0.072) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 HIS : no HD1:sc= -0.361 X(o=-0.36,f=-0.066) USER MOD Single : A 47 ASN : amide:sc= -0.951 K(o=-0.95,f=-2.8!) USER MOD Single : A 50 HIS : no HD1:sc=-0.00174 X(o=-0.0017,f=-0.022) USER MOD Single : A 54 ASN : amide:sc= -0.0581 K(o=-0.058,f=-1.4) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0.0349 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 59 ASN : amide:sc= -5.6! C(o=-5.6!,f=-16!) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 77 HIS : no HD1:sc= -3.05! K(o=-3!,f=-2.5) USER MOD Single : A 78 THR OG1 : rot 86:sc= 0.0669 USER MOD Single : A 82 GLN : amide:sc= -0.267 X(o=-0.27,f=-0.22) USER MOD Single : A 84 CYS SG : rot 180:sc= 0 USER MOD Single : A 85 SER OG : rot 180:sc= 0.142 USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 87 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 33.213 43.818 56.822 1.00 0.00 N ATOM 2 CA GLY A 1 32.354 42.876 56.129 1.00 0.00 C ATOM 3 C GLY A 1 31.426 43.556 55.142 1.00 0.00 C ATOM 4 O GLY A 1 30.510 44.278 55.537 1.00 0.00 O ATOM 0 H1 GLY A 1 33.828 43.304 57.485 1.00 0.00 H new ATOM 0 H2 GLY A 1 33.799 44.327 56.130 1.00 0.00 H new ATOM 0 H3 GLY A 1 32.629 44.498 57.348 1.00 0.00 H new ATOM 0 HA2 GLY A 1 32.970 42.147 55.602 1.00 0.00 H new ATOM 0 HA3 GLY A 1 31.762 42.324 56.859 1.00 0.00 H new ATOM 8 N SER A 2 31.662 43.326 53.854 1.00 0.00 N ATOM 9 CA SER A 2 30.843 43.926 52.807 1.00 0.00 C ATOM 10 C SER A 2 30.989 43.159 51.497 1.00 0.00 C ATOM 11 O SER A 2 31.752 42.197 51.409 1.00 0.00 O ATOM 12 CB SER A 2 31.235 45.390 52.600 1.00 0.00 C ATOM 13 OG SER A 2 32.634 45.523 52.417 1.00 0.00 O ATOM 0 H SER A 2 32.414 42.728 53.511 1.00 0.00 H new ATOM 0 HA SER A 2 29.801 43.877 53.122 1.00 0.00 H new ATOM 0 HB2 SER A 2 30.712 45.790 51.732 1.00 0.00 H new ATOM 0 HB3 SER A 2 30.920 45.979 53.461 1.00 0.00 H new ATOM 0 HG SER A 2 32.858 46.468 52.285 1.00 0.00 H new ATOM 19 N SER A 3 30.250 43.592 50.480 1.00 0.00 N ATOM 20 CA SER A 3 30.293 42.944 49.174 1.00 0.00 C ATOM 21 C SER A 3 30.240 43.978 48.053 1.00 0.00 C ATOM 22 O SER A 3 30.104 45.174 48.303 1.00 0.00 O ATOM 23 CB SER A 3 29.130 41.960 49.031 1.00 0.00 C ATOM 24 OG SER A 3 29.593 40.675 48.653 1.00 0.00 O ATOM 0 H SER A 3 29.615 44.388 50.535 1.00 0.00 H new ATOM 0 HA SER A 3 31.233 42.398 49.097 1.00 0.00 H new ATOM 0 HB2 SER A 3 28.589 41.892 49.975 1.00 0.00 H new ATOM 0 HB3 SER A 3 28.426 42.330 48.286 1.00 0.00 H new ATOM 0 HG SER A 3 28.831 40.064 48.570 1.00 0.00 H new ATOM 30 N GLY A 4 30.349 43.505 46.815 1.00 0.00 N ATOM 31 CA GLY A 4 30.312 44.400 45.673 1.00 0.00 C ATOM 32 C GLY A 4 30.267 43.655 44.354 1.00 0.00 C ATOM 33 O GLY A 4 30.224 42.425 44.329 1.00 0.00 O ATOM 0 H GLY A 4 30.462 42.518 46.583 1.00 0.00 H new ATOM 0 HA2 GLY A 4 29.439 45.048 45.751 1.00 0.00 H new ATOM 0 HA3 GLY A 4 31.190 45.045 45.692 1.00 0.00 H new ATOM 37 N SER A 5 30.275 44.401 43.254 1.00 0.00 N ATOM 38 CA SER A 5 30.229 43.804 41.925 1.00 0.00 C ATOM 39 C SER A 5 30.331 44.876 40.844 1.00 0.00 C ATOM 40 O SER A 5 29.959 46.029 41.061 1.00 0.00 O ATOM 41 CB SER A 5 28.937 43.004 41.746 1.00 0.00 C ATOM 42 OG SER A 5 27.809 43.763 42.146 1.00 0.00 O ATOM 0 H SER A 5 30.313 45.420 43.257 1.00 0.00 H new ATOM 0 HA SER A 5 31.081 43.131 41.826 1.00 0.00 H new ATOM 0 HB2 SER A 5 28.830 42.709 40.702 1.00 0.00 H new ATOM 0 HB3 SER A 5 28.989 42.087 42.333 1.00 0.00 H new ATOM 0 HG SER A 5 26.996 43.231 42.021 1.00 0.00 H new ATOM 48 N SER A 6 30.838 44.486 39.679 1.00 0.00 N ATOM 49 CA SER A 6 30.993 45.413 38.564 1.00 0.00 C ATOM 50 C SER A 6 31.001 44.667 37.233 1.00 0.00 C ATOM 51 O SER A 6 31.776 43.732 37.038 1.00 0.00 O ATOM 52 CB SER A 6 32.286 46.218 38.718 1.00 0.00 C ATOM 53 OG SER A 6 32.691 46.773 37.479 1.00 0.00 O ATOM 0 H SER A 6 31.148 43.534 39.483 1.00 0.00 H new ATOM 0 HA SER A 6 30.144 46.097 38.572 1.00 0.00 H new ATOM 0 HB2 SER A 6 32.137 47.015 39.446 1.00 0.00 H new ATOM 0 HB3 SER A 6 33.075 45.574 39.107 1.00 0.00 H new ATOM 0 HG SER A 6 33.518 47.284 37.604 1.00 0.00 H new ATOM 59 N GLY A 7 30.131 45.089 36.320 1.00 0.00 N ATOM 60 CA GLY A 7 30.053 44.450 35.019 1.00 0.00 C ATOM 61 C GLY A 7 28.872 44.937 34.204 1.00 0.00 C ATOM 62 O GLY A 7 27.755 44.442 34.361 1.00 0.00 O ATOM 0 H GLY A 7 29.479 45.861 36.458 1.00 0.00 H new ATOM 0 HA2 GLY A 7 30.974 44.641 34.468 1.00 0.00 H new ATOM 0 HA3 GLY A 7 29.979 43.371 35.152 1.00 0.00 H new ATOM 66 N ILE A 8 29.117 45.910 33.333 1.00 0.00 N ATOM 67 CA ILE A 8 28.063 46.464 32.491 1.00 0.00 C ATOM 68 C ILE A 8 28.036 45.785 31.126 1.00 0.00 C ATOM 69 O ILE A 8 29.076 45.589 30.497 1.00 0.00 O ATOM 70 CB ILE A 8 28.240 47.981 32.294 1.00 0.00 C ATOM 71 CG1 ILE A 8 28.274 48.693 33.648 1.00 0.00 C ATOM 72 CG2 ILE A 8 27.121 48.536 31.425 1.00 0.00 C ATOM 73 CD1 ILE A 8 29.673 48.985 34.142 1.00 0.00 C ATOM 0 H ILE A 8 30.035 46.331 33.192 1.00 0.00 H new ATOM 0 HA ILE A 8 27.119 46.280 33.004 1.00 0.00 H new ATOM 0 HB ILE A 8 29.189 48.159 31.788 1.00 0.00 H new ATOM 0 HG12 ILE A 8 27.722 49.630 33.571 1.00 0.00 H new ATOM 0 HG13 ILE A 8 27.758 48.078 34.386 1.00 0.00 H new ATOM 0 HG21 ILE A 8 27.260 49.609 31.295 1.00 0.00 H new ATOM 0 HG22 ILE A 8 27.140 48.047 30.451 1.00 0.00 H new ATOM 0 HG23 ILE A 8 26.161 48.350 31.906 1.00 0.00 H new ATOM 0 HD11 ILE A 8 29.620 49.490 35.106 1.00 0.00 H new ATOM 0 HD12 ILE A 8 30.223 48.050 34.252 1.00 0.00 H new ATOM 0 HD13 ILE A 8 30.186 49.625 33.424 1.00 0.00 H new ATOM 85 N LYS A 9 26.840 45.428 30.673 1.00 0.00 N ATOM 86 CA LYS A 9 26.674 44.773 29.381 1.00 0.00 C ATOM 87 C LYS A 9 25.220 44.827 28.925 1.00 0.00 C ATOM 88 O LYS A 9 24.345 44.219 29.540 1.00 0.00 O ATOM 89 CB LYS A 9 27.141 43.318 29.460 1.00 0.00 C ATOM 90 CG LYS A 9 28.053 42.908 28.315 1.00 0.00 C ATOM 91 CD LYS A 9 27.894 41.436 27.975 1.00 0.00 C ATOM 92 CE LYS A 9 29.135 40.885 27.290 1.00 0.00 C ATOM 93 NZ LYS A 9 29.672 39.689 27.995 1.00 0.00 N ATOM 0 H LYS A 9 25.970 45.581 31.182 1.00 0.00 H new ATOM 0 HA LYS A 9 27.284 45.305 28.652 1.00 0.00 H new ATOM 0 HB2 LYS A 9 27.665 43.164 30.403 1.00 0.00 H new ATOM 0 HB3 LYS A 9 26.268 42.665 29.470 1.00 0.00 H new ATOM 0 HG2 LYS A 9 27.828 43.512 27.436 1.00 0.00 H new ATOM 0 HG3 LYS A 9 29.090 43.110 28.584 1.00 0.00 H new ATOM 0 HD2 LYS A 9 27.698 40.870 28.886 1.00 0.00 H new ATOM 0 HD3 LYS A 9 27.029 41.303 27.325 1.00 0.00 H new ATOM 0 HE2 LYS A 9 28.895 40.622 26.260 1.00 0.00 H new ATOM 0 HE3 LYS A 9 29.902 41.658 27.251 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 30.517 39.343 27.498 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 29.925 39.946 28.971 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 28.949 38.941 28.010 1.00 0.00 H new ATOM 107 N GLU A 10 24.969 45.558 27.843 1.00 0.00 N ATOM 108 CA GLU A 10 23.620 45.690 27.306 1.00 0.00 C ATOM 109 C GLU A 10 23.596 45.376 25.813 1.00 0.00 C ATOM 110 O GLU A 10 23.081 46.155 25.012 1.00 0.00 O ATOM 111 CB GLU A 10 23.086 47.103 27.550 1.00 0.00 C ATOM 112 CG GLU A 10 24.062 48.199 27.157 1.00 0.00 C ATOM 113 CD GLU A 10 23.366 49.491 26.777 1.00 0.00 C ATOM 114 OE1 GLU A 10 22.308 49.423 26.119 1.00 0.00 O ATOM 115 OE2 GLU A 10 23.880 50.571 27.138 1.00 0.00 O ATOM 0 H GLU A 10 25.682 46.068 27.322 1.00 0.00 H new ATOM 0 HA GLU A 10 22.980 44.974 27.821 1.00 0.00 H new ATOM 0 HB2 GLU A 10 22.160 47.234 26.989 1.00 0.00 H new ATOM 0 HB3 GLU A 10 22.837 47.211 28.606 1.00 0.00 H new ATOM 0 HG2 GLU A 10 24.743 48.388 27.986 1.00 0.00 H new ATOM 0 HG3 GLU A 10 24.668 47.857 26.318 1.00 0.00 H new ATOM 122 N VAL A 11 24.157 44.228 25.447 1.00 0.00 N ATOM 123 CA VAL A 11 24.200 43.809 24.051 1.00 0.00 C ATOM 124 C VAL A 11 23.771 42.354 23.900 1.00 0.00 C ATOM 125 O VAL A 11 24.253 41.477 24.615 1.00 0.00 O ATOM 126 CB VAL A 11 25.610 43.981 23.457 1.00 0.00 C ATOM 127 CG1 VAL A 11 26.614 43.114 24.202 1.00 0.00 C ATOM 128 CG2 VAL A 11 25.606 43.650 21.972 1.00 0.00 C ATOM 0 H VAL A 11 24.588 43.571 26.098 1.00 0.00 H new ATOM 0 HA VAL A 11 23.504 44.448 23.507 1.00 0.00 H new ATOM 0 HB VAL A 11 25.909 45.023 23.574 1.00 0.00 H new ATOM 0 HG11 VAL A 11 27.605 43.249 23.768 1.00 0.00 H new ATOM 0 HG12 VAL A 11 26.636 43.404 25.253 1.00 0.00 H new ATOM 0 HG13 VAL A 11 26.322 42.067 24.120 1.00 0.00 H new ATOM 0 HG21 VAL A 11 26.610 43.777 21.568 1.00 0.00 H new ATOM 0 HG22 VAL A 11 25.286 42.618 21.830 1.00 0.00 H new ATOM 0 HG23 VAL A 11 24.919 44.318 21.452 1.00 0.00 H new ATOM 138 N ASN A 12 22.860 42.105 22.964 1.00 0.00 N ATOM 139 CA ASN A 12 22.365 40.756 22.719 1.00 0.00 C ATOM 140 C ASN A 12 21.699 40.661 21.350 1.00 0.00 C ATOM 141 O ASN A 12 21.512 41.669 20.669 1.00 0.00 O ATOM 142 CB ASN A 12 21.374 40.348 23.811 1.00 0.00 C ATOM 143 CG ASN A 12 20.052 41.083 23.695 1.00 0.00 C ATOM 144 OD1 ASN A 12 19.985 42.296 23.894 1.00 0.00 O ATOM 145 ND2 ASN A 12 18.993 40.349 23.373 1.00 0.00 N ATOM 0 H ASN A 12 22.450 42.820 22.363 1.00 0.00 H new ATOM 0 HA ASN A 12 23.216 40.075 22.737 1.00 0.00 H new ATOM 0 HB2 ASN A 12 21.196 39.274 23.754 1.00 0.00 H new ATOM 0 HB3 ASN A 12 21.813 40.547 24.789 1.00 0.00 H new ATOM 0 HD21 ASN A 12 18.077 40.788 23.282 1.00 0.00 H new ATOM 0 HD22 ASN A 12 19.096 39.346 23.217 1.00 0.00 H new ATOM 152 N GLN A 13 21.343 39.443 20.954 1.00 0.00 N ATOM 153 CA GLN A 13 20.698 39.217 19.666 1.00 0.00 C ATOM 154 C GLN A 13 19.916 37.907 19.671 1.00 0.00 C ATOM 155 O GLN A 13 20.501 36.824 19.659 1.00 0.00 O ATOM 156 CB GLN A 13 21.740 39.198 18.546 1.00 0.00 C ATOM 157 CG GLN A 13 21.171 38.808 17.192 1.00 0.00 C ATOM 158 CD GLN A 13 22.079 39.199 16.043 1.00 0.00 C ATOM 159 OE1 GLN A 13 23.253 38.829 16.011 1.00 0.00 O ATOM 160 NE2 GLN A 13 21.539 39.950 15.090 1.00 0.00 N ATOM 0 H GLN A 13 21.490 38.598 21.506 1.00 0.00 H new ATOM 0 HA GLN A 13 20.000 40.035 19.489 1.00 0.00 H new ATOM 0 HB2 GLN A 13 22.196 40.185 18.468 1.00 0.00 H new ATOM 0 HB3 GLN A 13 22.534 38.500 18.812 1.00 0.00 H new ATOM 0 HG2 GLN A 13 21.005 37.731 17.169 1.00 0.00 H new ATOM 0 HG3 GLN A 13 20.199 39.283 17.060 1.00 0.00 H new ATOM 0 HE21 GLN A 13 20.562 40.234 15.157 1.00 0.00 H new ATOM 0 HE22 GLN A 13 22.102 40.243 14.291 1.00 0.00 H new ATOM 169 N ALA A 14 18.592 38.015 19.691 1.00 0.00 N ATOM 170 CA ALA A 14 17.730 36.839 19.696 1.00 0.00 C ATOM 171 C ALA A 14 17.929 36.007 18.434 1.00 0.00 C ATOM 172 O ALA A 14 18.549 36.460 17.470 1.00 0.00 O ATOM 173 CB ALA A 14 16.273 37.254 19.833 1.00 0.00 C ATOM 0 H ALA A 14 18.093 38.904 19.704 1.00 0.00 H new ATOM 0 HA ALA A 14 18.003 36.222 20.552 1.00 0.00 H new ATOM 0 HB1 ALA A 14 15.641 36.366 19.835 1.00 0.00 H new ATOM 0 HB2 ALA A 14 16.136 37.799 20.767 1.00 0.00 H new ATOM 0 HB3 ALA A 14 15.997 37.894 18.995 1.00 0.00 H new ATOM 179 N LEU A 15 17.400 34.789 18.444 1.00 0.00 N ATOM 180 CA LEU A 15 17.520 33.892 17.300 1.00 0.00 C ATOM 181 C LEU A 15 16.144 33.473 16.790 1.00 0.00 C ATOM 182 O LEU A 15 15.211 33.285 17.571 1.00 0.00 O ATOM 183 CB LEU A 15 18.334 32.654 17.679 1.00 0.00 C ATOM 184 CG LEU A 15 18.059 32.068 19.064 1.00 0.00 C ATOM 185 CD1 LEU A 15 18.266 30.562 19.057 1.00 0.00 C ATOM 186 CD2 LEU A 15 18.949 32.726 20.109 1.00 0.00 C ATOM 0 H LEU A 15 16.883 34.399 19.232 1.00 0.00 H new ATOM 0 HA LEU A 15 18.036 34.428 16.503 1.00 0.00 H new ATOM 0 HB2 LEU A 15 18.147 31.879 16.935 1.00 0.00 H new ATOM 0 HB3 LEU A 15 19.392 32.907 17.617 1.00 0.00 H new ATOM 0 HG LEU A 15 17.020 32.270 19.323 1.00 0.00 H new ATOM 0 HD11 LEU A 15 18.066 30.163 20.051 1.00 0.00 H new ATOM 0 HD12 LEU A 15 17.586 30.105 18.338 1.00 0.00 H new ATOM 0 HD13 LEU A 15 19.295 30.337 18.776 1.00 0.00 H new ATOM 0 HD21 LEU A 15 18.739 32.296 21.088 1.00 0.00 H new ATOM 0 HD22 LEU A 15 19.995 32.556 19.855 1.00 0.00 H new ATOM 0 HD23 LEU A 15 18.751 33.798 20.133 1.00 0.00 H new ATOM 198 N LYS A 16 16.026 33.326 15.475 1.00 0.00 N ATOM 199 CA LYS A 16 14.766 32.926 14.859 1.00 0.00 C ATOM 200 C LYS A 16 14.742 31.424 14.598 1.00 0.00 C ATOM 201 O LYS A 16 15.563 30.901 13.845 1.00 0.00 O ATOM 202 CB LYS A 16 14.551 33.686 13.548 1.00 0.00 C ATOM 203 CG LYS A 16 13.145 33.552 12.992 1.00 0.00 C ATOM 204 CD LYS A 16 12.210 34.596 13.580 1.00 0.00 C ATOM 205 CE LYS A 16 10.753 34.263 13.296 1.00 0.00 C ATOM 206 NZ LYS A 16 10.205 33.288 14.279 1.00 0.00 N ATOM 0 H LYS A 16 16.788 33.478 14.814 1.00 0.00 H new ATOM 0 HA LYS A 16 13.959 33.170 15.549 1.00 0.00 H new ATOM 0 HB2 LYS A 16 14.770 34.742 13.709 1.00 0.00 H new ATOM 0 HB3 LYS A 16 15.262 33.323 12.806 1.00 0.00 H new ATOM 0 HG2 LYS A 16 13.171 33.655 11.907 1.00 0.00 H new ATOM 0 HG3 LYS A 16 12.761 32.555 13.208 1.00 0.00 H new ATOM 0 HD2 LYS A 16 12.366 34.661 14.657 1.00 0.00 H new ATOM 0 HD3 LYS A 16 12.448 35.575 13.164 1.00 0.00 H new ATOM 0 HE2 LYS A 16 10.160 35.177 13.322 1.00 0.00 H new ATOM 0 HE3 LYS A 16 10.664 33.853 12.290 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 9.210 33.087 14.051 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 10.755 32.406 14.237 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 10.267 33.689 15.237 1.00 0.00 H new ATOM 220 N GLY A 17 13.794 30.734 15.224 1.00 0.00 N ATOM 221 CA GLY A 17 13.680 29.298 15.045 1.00 0.00 C ATOM 222 C GLY A 17 13.237 28.922 13.645 1.00 0.00 C ATOM 223 O GLY A 17 12.409 29.607 13.043 1.00 0.00 O ATOM 0 H GLY A 17 13.103 31.144 15.852 1.00 0.00 H new ATOM 0 HA2 GLY A 17 14.642 28.831 15.256 1.00 0.00 H new ATOM 0 HA3 GLY A 17 12.967 28.900 15.767 1.00 0.00 H new ATOM 227 N HIS A 18 13.790 27.831 13.124 1.00 0.00 N ATOM 228 CA HIS A 18 13.449 27.366 11.784 1.00 0.00 C ATOM 229 C HIS A 18 12.995 25.910 11.815 1.00 0.00 C ATOM 230 O HIS A 18 13.426 25.133 12.666 1.00 0.00 O ATOM 231 CB HIS A 18 14.647 27.520 10.847 1.00 0.00 C ATOM 232 CG HIS A 18 14.691 28.842 10.144 1.00 0.00 C ATOM 233 ND1 HIS A 18 13.718 29.257 9.259 1.00 0.00 N ATOM 234 CD2 HIS A 18 15.598 29.845 10.201 1.00 0.00 C ATOM 235 CE1 HIS A 18 14.025 30.457 8.801 1.00 0.00 C ATOM 236 NE2 HIS A 18 15.161 30.837 9.357 1.00 0.00 N ATOM 0 H HIS A 18 14.476 27.253 13.609 1.00 0.00 H new ATOM 0 HA HIS A 18 12.627 27.977 11.412 1.00 0.00 H new ATOM 0 HB2 HIS A 18 15.565 27.392 11.420 1.00 0.00 H new ATOM 0 HB3 HIS A 18 14.621 26.723 10.104 1.00 0.00 H new ATOM 0 HD2 HIS A 18 16.497 29.862 10.799 1.00 0.00 H new ATOM 0 HE1 HIS A 18 13.446 31.030 8.092 1.00 0.00 H new ATOM 0 HE2 HIS A 18 15.637 31.723 9.187 1.00 0.00 H new ATOM 244 N ALA A 19 12.124 25.547 10.879 1.00 0.00 N ATOM 245 CA ALA A 19 11.613 24.184 10.798 1.00 0.00 C ATOM 246 C ALA A 19 11.420 23.755 9.348 1.00 0.00 C ATOM 247 O ALA A 19 10.626 24.347 8.616 1.00 0.00 O ATOM 248 CB ALA A 19 10.304 24.064 11.565 1.00 0.00 C ATOM 0 H ALA A 19 11.758 26.178 10.166 1.00 0.00 H new ATOM 0 HA ALA A 19 12.349 23.519 11.251 1.00 0.00 H new ATOM 0 HB1 ALA A 19 9.934 23.041 11.496 1.00 0.00 H new ATOM 0 HB2 ALA A 19 10.471 24.320 12.611 1.00 0.00 H new ATOM 0 HB3 ALA A 19 9.568 24.745 11.138 1.00 0.00 H new ATOM 254 N TRP A 20 12.152 22.725 8.938 1.00 0.00 N ATOM 255 CA TRP A 20 12.061 22.218 7.574 1.00 0.00 C ATOM 256 C TRP A 20 10.729 21.514 7.342 1.00 0.00 C ATOM 257 O TRP A 20 10.609 20.306 7.549 1.00 0.00 O ATOM 258 CB TRP A 20 13.216 21.257 7.287 1.00 0.00 C ATOM 259 CG TRP A 20 14.553 21.797 7.695 1.00 0.00 C ATOM 260 CD1 TRP A 20 15.161 21.649 8.909 1.00 0.00 C ATOM 261 CD2 TRP A 20 15.446 22.574 6.889 1.00 0.00 C ATOM 262 NE1 TRP A 20 16.379 22.286 8.906 1.00 0.00 N ATOM 263 CE2 TRP A 20 16.577 22.861 7.679 1.00 0.00 C ATOM 264 CE3 TRP A 20 15.402 23.053 5.577 1.00 0.00 C ATOM 265 CZ2 TRP A 20 17.651 23.606 7.198 1.00 0.00 C ATOM 266 CZ3 TRP A 20 16.468 23.793 5.102 1.00 0.00 C ATOM 267 CH2 TRP A 20 17.580 24.063 5.910 1.00 0.00 C ATOM 0 H TRP A 20 12.815 22.225 9.531 1.00 0.00 H new ATOM 0 HA TRP A 20 12.125 23.067 6.893 1.00 0.00 H new ATOM 0 HB2 TRP A 20 13.036 20.318 7.810 1.00 0.00 H new ATOM 0 HB3 TRP A 20 13.234 21.030 6.221 1.00 0.00 H new ATOM 0 HD1 TRP A 20 14.746 21.111 9.748 1.00 0.00 H new ATOM 0 HE1 TRP A 20 17.030 22.324 9.690 1.00 0.00 H new ATOM 0 HE3 TRP A 20 14.550 22.849 4.946 1.00 0.00 H new ATOM 0 HZ2 TRP A 20 18.509 23.816 7.819 1.00 0.00 H new ATOM 0 HZ3 TRP A 20 16.443 24.170 4.090 1.00 0.00 H new ATOM 0 HH2 TRP A 20 18.398 24.643 5.509 1.00 0.00 H new ATOM 278 N LEU A 21 9.729 22.276 6.911 1.00 0.00 N ATOM 279 CA LEU A 21 8.404 21.725 6.651 1.00 0.00 C ATOM 280 C LEU A 21 7.772 21.196 7.934 1.00 0.00 C ATOM 281 O LEU A 21 8.470 20.875 8.897 1.00 0.00 O ATOM 282 CB LEU A 21 8.491 20.604 5.613 1.00 0.00 C ATOM 283 CG LEU A 21 7.775 20.861 4.286 1.00 0.00 C ATOM 284 CD1 LEU A 21 8.480 20.136 3.150 1.00 0.00 C ATOM 285 CD2 LEU A 21 6.318 20.429 4.375 1.00 0.00 C ATOM 0 H LEU A 21 9.811 23.277 6.734 1.00 0.00 H new ATOM 0 HA LEU A 21 7.775 22.526 6.262 1.00 0.00 H new ATOM 0 HB2 LEU A 21 9.543 20.411 5.404 1.00 0.00 H new ATOM 0 HB3 LEU A 21 8.081 19.695 6.054 1.00 0.00 H new ATOM 0 HG LEU A 21 7.804 21.931 4.080 1.00 0.00 H new ATOM 0 HD11 LEU A 21 7.957 20.330 2.214 1.00 0.00 H new ATOM 0 HD12 LEU A 21 9.507 20.493 3.072 1.00 0.00 H new ATOM 0 HD13 LEU A 21 8.482 19.064 3.348 1.00 0.00 H new ATOM 0 HD21 LEU A 21 5.823 20.619 3.422 1.00 0.00 H new ATOM 0 HD22 LEU A 21 6.267 19.365 4.604 1.00 0.00 H new ATOM 0 HD23 LEU A 21 5.818 20.994 5.162 1.00 0.00 H new ATOM 297 N LYS A 22 6.447 21.105 7.941 1.00 0.00 N ATOM 298 CA LYS A 22 5.719 20.612 9.105 1.00 0.00 C ATOM 299 C LYS A 22 4.894 19.379 8.748 1.00 0.00 C ATOM 300 O LYS A 22 4.047 19.425 7.856 1.00 0.00 O ATOM 301 CB LYS A 22 4.806 21.706 9.663 1.00 0.00 C ATOM 302 CG LYS A 22 5.554 22.943 10.128 1.00 0.00 C ATOM 303 CD LYS A 22 4.873 23.589 11.323 1.00 0.00 C ATOM 304 CE LYS A 22 5.887 24.071 12.350 1.00 0.00 C ATOM 305 NZ LYS A 22 6.405 22.951 13.184 1.00 0.00 N ATOM 0 H LYS A 22 5.854 21.366 7.153 1.00 0.00 H new ATOM 0 HA LYS A 22 6.447 20.333 9.866 1.00 0.00 H new ATOM 0 HB2 LYS A 22 4.087 21.993 8.896 1.00 0.00 H new ATOM 0 HB3 LYS A 22 4.236 21.301 10.499 1.00 0.00 H new ATOM 0 HG2 LYS A 22 6.576 22.673 10.392 1.00 0.00 H new ATOM 0 HG3 LYS A 22 5.615 23.661 9.310 1.00 0.00 H new ATOM 0 HD2 LYS A 22 4.267 24.430 10.987 1.00 0.00 H new ATOM 0 HD3 LYS A 22 4.195 22.873 11.788 1.00 0.00 H new ATOM 0 HE2 LYS A 22 6.718 24.558 11.840 1.00 0.00 H new ATOM 0 HE3 LYS A 22 5.425 24.820 12.993 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 7.093 23.319 13.871 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 5.616 22.502 13.691 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 6.868 22.249 12.573 1.00 0.00 H new ATOM 319 N ASP A 23 5.146 18.281 9.451 1.00 0.00 N ATOM 320 CA ASP A 23 4.425 17.036 9.210 1.00 0.00 C ATOM 321 C ASP A 23 3.361 16.810 10.280 1.00 0.00 C ATOM 322 O ASP A 23 3.551 16.014 11.200 1.00 0.00 O ATOM 323 CB ASP A 23 5.397 15.856 9.182 1.00 0.00 C ATOM 324 CG ASP A 23 6.446 15.996 8.096 1.00 0.00 C ATOM 325 OD1 ASP A 23 7.454 16.693 8.333 1.00 0.00 O ATOM 326 OD2 ASP A 23 6.258 15.408 7.010 1.00 0.00 O ATOM 0 H ASP A 23 5.844 18.227 10.193 1.00 0.00 H new ATOM 0 HA ASP A 23 3.931 17.112 8.241 1.00 0.00 H new ATOM 0 HB2 ASP A 23 5.890 15.772 10.151 1.00 0.00 H new ATOM 0 HB3 ASP A 23 4.839 14.933 9.027 1.00 0.00 H new ATOM 331 N ASP A 24 2.242 17.514 10.153 1.00 0.00 N ATOM 332 CA ASP A 24 1.147 17.390 11.108 1.00 0.00 C ATOM 333 C ASP A 24 0.077 16.436 10.587 1.00 0.00 C ATOM 334 O ASP A 24 -1.118 16.700 10.715 1.00 0.00 O ATOM 335 CB ASP A 24 0.531 18.761 11.392 1.00 0.00 C ATOM 336 CG ASP A 24 0.270 19.552 10.124 1.00 0.00 C ATOM 337 OD1 ASP A 24 -0.287 18.972 9.169 1.00 0.00 O ATOM 338 OD2 ASP A 24 0.623 20.749 10.088 1.00 0.00 O ATOM 0 H ASP A 24 2.069 18.177 9.397 1.00 0.00 H new ATOM 0 HA ASP A 24 1.551 16.983 12.035 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -0.405 18.630 11.935 1.00 0.00 H new ATOM 0 HB3 ASP A 24 1.198 19.329 12.040 1.00 0.00 H new ATOM 343 N GLU A 25 0.515 15.327 9.999 1.00 0.00 N ATOM 344 CA GLU A 25 -0.406 14.335 9.457 1.00 0.00 C ATOM 345 C GLU A 25 0.167 12.927 9.597 1.00 0.00 C ATOM 346 O GLU A 25 -0.520 12.008 10.040 1.00 0.00 O ATOM 347 CB GLU A 25 -0.704 14.633 7.987 1.00 0.00 C ATOM 348 CG GLU A 25 -1.832 15.631 7.784 1.00 0.00 C ATOM 349 CD GLU A 25 -2.608 15.382 6.505 1.00 0.00 C ATOM 350 OE1 GLU A 25 -1.970 15.258 5.439 1.00 0.00 O ATOM 351 OE2 GLU A 25 -3.853 15.312 6.570 1.00 0.00 O ATOM 0 H GLU A 25 1.501 15.093 9.886 1.00 0.00 H new ATOM 0 HA GLU A 25 -1.334 14.389 10.026 1.00 0.00 H new ATOM 0 HB2 GLU A 25 0.199 15.017 7.513 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -0.959 13.702 7.481 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -2.513 15.581 8.633 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -1.420 16.640 7.764 1.00 0.00 H new ATOM 358 N ALA A 26 1.430 12.768 9.213 1.00 0.00 N ATOM 359 CA ALA A 26 2.096 11.474 9.296 1.00 0.00 C ATOM 360 C ALA A 26 3.561 11.584 8.888 1.00 0.00 C ATOM 361 O ALA A 26 3.888 12.187 7.865 1.00 0.00 O ATOM 362 CB ALA A 26 1.377 10.454 8.425 1.00 0.00 C ATOM 0 H ALA A 26 2.012 13.519 8.842 1.00 0.00 H new ATOM 0 HA ALA A 26 2.060 11.139 10.333 1.00 0.00 H new ATOM 0 HB1 ALA A 26 1.885 9.492 8.496 1.00 0.00 H new ATOM 0 HB2 ALA A 26 0.347 10.347 8.765 1.00 0.00 H new ATOM 0 HB3 ALA A 26 1.383 10.792 7.389 1.00 0.00 H new ATOM 368 N THR A 27 4.441 10.998 9.694 1.00 0.00 N ATOM 369 CA THR A 27 5.871 11.032 9.417 1.00 0.00 C ATOM 370 C THR A 27 6.397 9.643 9.073 1.00 0.00 C ATOM 371 O THR A 27 7.296 9.496 8.244 1.00 0.00 O ATOM 372 CB THR A 27 6.663 11.585 10.616 1.00 0.00 C ATOM 373 OG1 THR A 27 6.231 10.949 11.824 1.00 0.00 O ATOM 374 CG2 THR A 27 6.480 13.091 10.737 1.00 0.00 C ATOM 0 H THR A 27 4.188 10.494 10.544 1.00 0.00 H new ATOM 0 HA THR A 27 6.011 11.694 8.562 1.00 0.00 H new ATOM 0 HB THR A 27 7.720 11.375 10.453 1.00 0.00 H new ATOM 0 HG1 THR A 27 6.758 10.136 11.972 1.00 0.00 H new ATOM 0 HG21 THR A 27 7.049 13.459 11.591 1.00 0.00 H new ATOM 0 HG22 THR A 27 6.836 13.575 9.828 1.00 0.00 H new ATOM 0 HG23 THR A 27 5.424 13.319 10.879 1.00 0.00 H new ATOM 382 N HIS A 28 5.831 8.625 9.714 1.00 0.00 N ATOM 383 CA HIS A 28 6.243 7.246 9.474 1.00 0.00 C ATOM 384 C HIS A 28 5.037 6.365 9.165 1.00 0.00 C ATOM 385 O HIS A 28 3.909 6.683 9.544 1.00 0.00 O ATOM 386 CB HIS A 28 6.993 6.697 10.688 1.00 0.00 C ATOM 387 CG HIS A 28 8.309 7.368 10.933 1.00 0.00 C ATOM 388 ND1 HIS A 28 8.433 8.724 11.153 1.00 0.00 N ATOM 389 CD2 HIS A 28 9.563 6.862 10.993 1.00 0.00 C ATOM 390 CE1 HIS A 28 9.707 9.023 11.337 1.00 0.00 C ATOM 391 NE2 HIS A 28 10.414 7.911 11.245 1.00 0.00 N ATOM 0 H HIS A 28 5.086 8.729 10.403 1.00 0.00 H new ATOM 0 HA HIS A 28 6.908 7.236 8.611 1.00 0.00 H new ATOM 0 HB2 HIS A 28 6.367 6.810 11.573 1.00 0.00 H new ATOM 0 HB3 HIS A 28 7.159 5.629 10.549 1.00 0.00 H new ATOM 0 HD2 HIS A 28 9.843 5.827 10.866 1.00 0.00 H new ATOM 0 HE1 HIS A 28 10.103 10.009 11.530 1.00 0.00 H new ATOM 0 HE2 HIS A 28 11.427 7.842 11.345 1.00 0.00 H new ATOM 399 N CYS A 29 5.281 5.257 8.473 1.00 0.00 N ATOM 400 CA CYS A 29 4.216 4.330 8.112 1.00 0.00 C ATOM 401 C CYS A 29 3.412 3.919 9.342 1.00 0.00 C ATOM 402 O CYS A 29 3.937 3.879 10.455 1.00 0.00 O ATOM 403 CB CYS A 29 4.800 3.089 7.433 1.00 0.00 C ATOM 404 SG CYS A 29 3.549 1.985 6.701 1.00 0.00 S ATOM 0 H CYS A 29 6.208 4.979 8.151 1.00 0.00 H new ATOM 0 HA CYS A 29 3.548 4.837 7.416 1.00 0.00 H new ATOM 0 HB2 CYS A 29 5.491 3.406 6.652 1.00 0.00 H new ATOM 0 HB3 CYS A 29 5.382 2.528 8.164 1.00 0.00 H new ATOM 409 N ARG A 30 2.135 3.613 9.133 1.00 0.00 N ATOM 410 CA ARG A 30 1.258 3.206 10.224 1.00 0.00 C ATOM 411 C ARG A 30 1.188 1.685 10.326 1.00 0.00 C ATOM 412 O ARG A 30 0.125 1.120 10.581 1.00 0.00 O ATOM 413 CB ARG A 30 -0.145 3.780 10.020 1.00 0.00 C ATOM 414 CG ARG A 30 -0.778 4.311 11.296 1.00 0.00 C ATOM 415 CD ARG A 30 -1.211 3.180 12.215 1.00 0.00 C ATOM 416 NE ARG A 30 -0.092 2.640 12.984 1.00 0.00 N ATOM 417 CZ ARG A 30 -0.208 1.632 13.841 1.00 0.00 C ATOM 418 NH1 ARG A 30 -1.386 1.057 14.038 1.00 0.00 N ATOM 419 NH2 ARG A 30 0.857 1.197 14.503 1.00 0.00 N ATOM 0 H ARG A 30 1.685 3.639 8.218 1.00 0.00 H new ATOM 0 HA ARG A 30 1.671 3.597 11.154 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -0.096 4.585 9.287 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -0.788 3.006 9.601 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -0.067 4.952 11.817 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -1.641 4.929 11.046 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -1.979 3.542 12.898 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -1.661 2.384 11.622 1.00 0.00 H new ATOM 0 HE ARG A 30 0.829 3.060 12.856 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -2.207 1.388 13.531 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -1.472 0.283 14.697 1.00 0.00 H new ATOM 0 HH21 ARG A 30 1.765 1.637 14.354 1.00 0.00 H new ATOM 0 HH22 ARG A 30 0.767 0.423 15.161 1.00 0.00 H new ATOM 433 N GLN A 31 2.327 1.031 10.126 1.00 0.00 N ATOM 434 CA GLN A 31 2.393 -0.424 10.194 1.00 0.00 C ATOM 435 C GLN A 31 3.841 -0.902 10.222 1.00 0.00 C ATOM 436 O GLN A 31 4.186 -1.830 10.955 1.00 0.00 O ATOM 437 CB GLN A 31 1.662 -1.046 9.003 1.00 0.00 C ATOM 438 CG GLN A 31 1.793 -2.559 8.931 1.00 0.00 C ATOM 439 CD GLN A 31 0.651 -3.208 8.174 1.00 0.00 C ATOM 440 OE1 GLN A 31 -0.487 -3.227 8.642 1.00 0.00 O ATOM 441 NE2 GLN A 31 0.951 -3.746 6.998 1.00 0.00 N ATOM 0 H GLN A 31 3.216 1.485 9.916 1.00 0.00 H new ATOM 0 HA GLN A 31 1.906 -0.741 11.116 1.00 0.00 H new ATOM 0 HB2 GLN A 31 0.606 -0.783 9.058 1.00 0.00 H new ATOM 0 HB3 GLN A 31 2.051 -0.612 8.082 1.00 0.00 H new ATOM 0 HG2 GLN A 31 2.736 -2.816 8.448 1.00 0.00 H new ATOM 0 HG3 GLN A 31 1.831 -2.965 9.942 1.00 0.00 H new ATOM 0 HE21 GLN A 31 1.909 -3.707 6.649 1.00 0.00 H new ATOM 0 HE22 GLN A 31 0.224 -4.198 6.444 1.00 0.00 H new ATOM 450 N CYS A 32 4.686 -0.263 9.420 1.00 0.00 N ATOM 451 CA CYS A 32 6.097 -0.623 9.351 1.00 0.00 C ATOM 452 C CYS A 32 6.918 0.207 10.334 1.00 0.00 C ATOM 453 O CYS A 32 7.979 -0.220 10.787 1.00 0.00 O ATOM 454 CB CYS A 32 6.627 -0.424 7.930 1.00 0.00 C ATOM 455 SG CYS A 32 5.652 -1.272 6.647 1.00 0.00 S ATOM 0 H CYS A 32 4.418 0.508 8.808 1.00 0.00 H new ATOM 0 HA CYS A 32 6.192 -1.674 9.622 1.00 0.00 H new ATOM 0 HB2 CYS A 32 6.649 0.643 7.708 1.00 0.00 H new ATOM 0 HB3 CYS A 32 7.656 -0.781 7.884 1.00 0.00 H new ATOM 460 N GLU A 33 6.418 1.396 10.658 1.00 0.00 N ATOM 461 CA GLU A 33 7.106 2.286 11.586 1.00 0.00 C ATOM 462 C GLU A 33 8.461 2.712 11.027 1.00 0.00 C ATOM 463 O GLU A 33 9.424 2.892 11.773 1.00 0.00 O ATOM 464 CB GLU A 33 7.294 1.600 12.940 1.00 0.00 C ATOM 465 CG GLU A 33 6.945 2.485 14.125 1.00 0.00 C ATOM 466 CD GLU A 33 8.168 3.114 14.764 1.00 0.00 C ATOM 467 OE1 GLU A 33 8.810 3.963 14.111 1.00 0.00 O ATOM 468 OE2 GLU A 33 8.484 2.755 15.918 1.00 0.00 O ATOM 0 H GLU A 33 5.540 1.764 10.292 1.00 0.00 H new ATOM 0 HA GLU A 33 6.491 3.176 11.720 1.00 0.00 H new ATOM 0 HB2 GLU A 33 6.675 0.703 12.972 1.00 0.00 H new ATOM 0 HB3 GLU A 33 8.330 1.276 13.033 1.00 0.00 H new ATOM 0 HG2 GLU A 33 6.265 3.272 13.798 1.00 0.00 H new ATOM 0 HG3 GLU A 33 6.413 1.894 14.871 1.00 0.00 H new ATOM 475 N LYS A 34 8.527 2.872 9.710 1.00 0.00 N ATOM 476 CA LYS A 34 9.762 3.279 9.049 1.00 0.00 C ATOM 477 C LYS A 34 9.631 4.682 8.466 1.00 0.00 C ATOM 478 O LYS A 34 8.543 5.100 8.071 1.00 0.00 O ATOM 479 CB LYS A 34 10.122 2.286 7.941 1.00 0.00 C ATOM 480 CG LYS A 34 10.971 1.121 8.420 1.00 0.00 C ATOM 481 CD LYS A 34 12.448 1.367 8.165 1.00 0.00 C ATOM 482 CE LYS A 34 13.000 0.411 7.119 1.00 0.00 C ATOM 483 NZ LYS A 34 13.606 -0.800 7.739 1.00 0.00 N ATOM 0 H LYS A 34 7.739 2.726 9.078 1.00 0.00 H new ATOM 0 HA LYS A 34 10.558 3.288 9.794 1.00 0.00 H new ATOM 0 HB2 LYS A 34 9.204 1.898 7.500 1.00 0.00 H new ATOM 0 HB3 LYS A 34 10.657 2.814 7.151 1.00 0.00 H new ATOM 0 HG2 LYS A 34 10.806 0.963 9.486 1.00 0.00 H new ATOM 0 HG3 LYS A 34 10.660 0.209 7.911 1.00 0.00 H new ATOM 0 HD2 LYS A 34 12.595 2.395 7.833 1.00 0.00 H new ATOM 0 HD3 LYS A 34 13.003 1.250 9.096 1.00 0.00 H new ATOM 0 HE2 LYS A 34 12.199 0.111 6.443 1.00 0.00 H new ATOM 0 HE3 LYS A 34 13.750 0.925 6.517 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 13.971 -1.426 6.993 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 14.387 -0.516 8.365 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 12.885 -1.305 8.293 1.00 0.00 H new ATOM 497 N GLU A 35 10.746 5.403 8.415 1.00 0.00 N ATOM 498 CA GLU A 35 10.754 6.760 7.880 1.00 0.00 C ATOM 499 C GLU A 35 10.482 6.754 6.378 1.00 0.00 C ATOM 500 O GLU A 35 11.024 5.930 5.641 1.00 0.00 O ATOM 501 CB GLU A 35 12.098 7.436 8.163 1.00 0.00 C ATOM 502 CG GLU A 35 12.067 8.945 7.996 1.00 0.00 C ATOM 503 CD GLU A 35 13.418 9.518 7.616 1.00 0.00 C ATOM 504 OE1 GLU A 35 13.998 9.054 6.611 1.00 0.00 O ATOM 505 OE2 GLU A 35 13.897 10.429 8.323 1.00 0.00 O ATOM 0 H GLU A 35 11.655 5.071 8.737 1.00 0.00 H new ATOM 0 HA GLU A 35 9.961 7.322 8.374 1.00 0.00 H new ATOM 0 HB2 GLU A 35 12.408 7.198 9.181 1.00 0.00 H new ATOM 0 HB3 GLU A 35 12.852 7.020 7.495 1.00 0.00 H new ATOM 0 HG2 GLU A 35 11.337 9.207 7.230 1.00 0.00 H new ATOM 0 HG3 GLU A 35 11.731 9.403 8.926 1.00 0.00 H new ATOM 512 N PHE A 36 9.638 7.678 5.932 1.00 0.00 N ATOM 513 CA PHE A 36 9.292 7.779 4.520 1.00 0.00 C ATOM 514 C PHE A 36 10.447 8.370 3.717 1.00 0.00 C ATOM 515 O PHE A 36 11.157 9.257 4.192 1.00 0.00 O ATOM 516 CB PHE A 36 8.039 8.639 4.340 1.00 0.00 C ATOM 517 CG PHE A 36 6.766 7.925 4.694 1.00 0.00 C ATOM 518 CD1 PHE A 36 6.483 6.679 4.160 1.00 0.00 C ATOM 519 CD2 PHE A 36 5.852 8.501 5.562 1.00 0.00 C ATOM 520 CE1 PHE A 36 5.313 6.019 4.485 1.00 0.00 C ATOM 521 CE2 PHE A 36 4.680 7.846 5.890 1.00 0.00 C ATOM 522 CZ PHE A 36 4.410 6.604 5.350 1.00 0.00 C ATOM 0 H PHE A 36 9.181 8.368 6.529 1.00 0.00 H new ATOM 0 HA PHE A 36 9.091 6.774 4.149 1.00 0.00 H new ATOM 0 HB2 PHE A 36 8.129 9.532 4.958 1.00 0.00 H new ATOM 0 HB3 PHE A 36 7.983 8.973 3.304 1.00 0.00 H new ATOM 0 HD1 PHE A 36 7.185 6.217 3.481 1.00 0.00 H new ATOM 0 HD2 PHE A 36 6.058 9.472 5.987 1.00 0.00 H new ATOM 0 HE1 PHE A 36 5.105 5.047 4.063 1.00 0.00 H new ATOM 0 HE2 PHE A 36 3.976 8.305 6.568 1.00 0.00 H new ATOM 0 HZ PHE A 36 3.494 6.091 5.604 1.00 0.00 H new ATOM 532 N SER A 37 10.630 7.871 2.499 1.00 0.00 N ATOM 533 CA SER A 37 11.702 8.346 1.631 1.00 0.00 C ATOM 534 C SER A 37 11.196 8.557 0.208 1.00 0.00 C ATOM 535 O SER A 37 10.001 8.431 -0.062 1.00 0.00 O ATOM 536 CB SER A 37 12.864 7.350 1.629 1.00 0.00 C ATOM 537 OG SER A 37 13.253 7.018 2.950 1.00 0.00 O ATOM 0 H SER A 37 10.050 7.138 2.091 1.00 0.00 H new ATOM 0 HA SER A 37 12.053 9.303 2.018 1.00 0.00 H new ATOM 0 HB2 SER A 37 12.571 6.446 1.095 1.00 0.00 H new ATOM 0 HB3 SER A 37 13.712 7.777 1.093 1.00 0.00 H new ATOM 0 HG SER A 37 13.996 6.379 2.922 1.00 0.00 H new ATOM 543 N ILE A 38 12.113 8.879 -0.698 1.00 0.00 N ATOM 544 CA ILE A 38 11.760 9.107 -2.094 1.00 0.00 C ATOM 545 C ILE A 38 11.332 7.810 -2.771 1.00 0.00 C ATOM 546 O ILE A 38 10.431 7.804 -3.611 1.00 0.00 O ATOM 547 CB ILE A 38 12.935 9.719 -2.878 1.00 0.00 C ATOM 548 CG1 ILE A 38 13.394 11.022 -2.219 1.00 0.00 C ATOM 549 CG2 ILE A 38 12.535 9.965 -4.326 1.00 0.00 C ATOM 550 CD1 ILE A 38 14.792 10.949 -1.645 1.00 0.00 C ATOM 0 H ILE A 38 13.106 8.988 -0.491 1.00 0.00 H new ATOM 0 HA ILE A 38 10.926 9.809 -2.099 1.00 0.00 H new ATOM 0 HB ILE A 38 13.767 9.014 -2.865 1.00 0.00 H new ATOM 0 HG12 ILE A 38 13.353 11.826 -2.954 1.00 0.00 H new ATOM 0 HG13 ILE A 38 12.696 11.283 -1.423 1.00 0.00 H new ATOM 0 HG21 ILE A 38 13.376 10.398 -4.867 1.00 0.00 H new ATOM 0 HG22 ILE A 38 12.252 9.021 -4.791 1.00 0.00 H new ATOM 0 HG23 ILE A 38 11.690 10.653 -4.358 1.00 0.00 H new ATOM 0 HD11 ILE A 38 15.051 11.907 -1.194 1.00 0.00 H new ATOM 0 HD12 ILE A 38 14.833 10.168 -0.886 1.00 0.00 H new ATOM 0 HD13 ILE A 38 15.501 10.719 -2.441 1.00 0.00 H new ATOM 562 N SER A 39 11.982 6.712 -2.400 1.00 0.00 N ATOM 563 CA SER A 39 11.670 5.408 -2.974 1.00 0.00 C ATOM 564 C SER A 39 10.499 4.759 -2.242 1.00 0.00 C ATOM 565 O SER A 39 9.756 3.964 -2.818 1.00 0.00 O ATOM 566 CB SER A 39 12.895 4.494 -2.912 1.00 0.00 C ATOM 567 OG SER A 39 12.556 3.163 -3.260 1.00 0.00 O ATOM 0 H SER A 39 12.728 6.699 -1.705 1.00 0.00 H new ATOM 0 HA SER A 39 11.388 5.555 -4.017 1.00 0.00 H new ATOM 0 HB2 SER A 39 13.664 4.865 -3.589 1.00 0.00 H new ATOM 0 HB3 SER A 39 13.317 4.514 -1.907 1.00 0.00 H new ATOM 0 HG SER A 39 13.356 2.599 -3.214 1.00 0.00 H new ATOM 573 N ARG A 40 10.342 5.104 -0.968 1.00 0.00 N ATOM 574 CA ARG A 40 9.263 4.554 -0.155 1.00 0.00 C ATOM 575 C ARG A 40 8.179 5.600 0.089 1.00 0.00 C ATOM 576 O ARG A 40 7.898 5.963 1.231 1.00 0.00 O ATOM 577 CB ARG A 40 9.809 4.049 1.181 1.00 0.00 C ATOM 578 CG ARG A 40 8.905 3.034 1.864 1.00 0.00 C ATOM 579 CD ARG A 40 9.165 2.975 3.361 1.00 0.00 C ATOM 580 NE ARG A 40 10.332 2.158 3.682 1.00 0.00 N ATOM 581 CZ ARG A 40 10.307 0.831 3.738 1.00 0.00 C ATOM 582 NH1 ARG A 40 9.180 0.175 3.497 1.00 0.00 N ATOM 583 NH2 ARG A 40 11.410 0.157 4.037 1.00 0.00 N ATOM 0 H ARG A 40 10.948 5.761 -0.477 1.00 0.00 H new ATOM 0 HA ARG A 40 8.822 3.718 -0.699 1.00 0.00 H new ATOM 0 HB2 ARG A 40 10.788 3.599 1.017 1.00 0.00 H new ATOM 0 HB3 ARG A 40 9.957 4.898 1.848 1.00 0.00 H new ATOM 0 HG2 ARG A 40 7.862 3.295 1.685 1.00 0.00 H new ATOM 0 HG3 ARG A 40 9.066 2.049 1.426 1.00 0.00 H new ATOM 0 HD2 ARG A 40 9.313 3.985 3.743 1.00 0.00 H new ATOM 0 HD3 ARG A 40 8.288 2.569 3.865 1.00 0.00 H new ATOM 0 HE ARG A 40 11.215 2.632 3.874 1.00 0.00 H new ATOM 0 HH11 ARG A 40 8.329 0.689 3.268 1.00 0.00 H new ATOM 0 HH12 ARG A 40 9.164 -0.844 3.541 1.00 0.00 H new ATOM 0 HH21 ARG A 40 12.279 0.658 4.224 1.00 0.00 H new ATOM 0 HH22 ARG A 40 11.389 -0.862 4.080 1.00 0.00 H new ATOM 597 N ARG A 41 7.575 6.082 -0.993 1.00 0.00 N ATOM 598 CA ARG A 41 6.524 7.088 -0.896 1.00 0.00 C ATOM 599 C ARG A 41 5.351 6.571 -0.067 1.00 0.00 C ATOM 600 O ARG A 41 5.350 5.424 0.380 1.00 0.00 O ATOM 601 CB ARG A 41 6.039 7.485 -2.292 1.00 0.00 C ATOM 602 CG ARG A 41 6.956 8.470 -2.997 1.00 0.00 C ATOM 603 CD ARG A 41 7.307 7.999 -4.400 1.00 0.00 C ATOM 604 NE ARG A 41 6.172 8.101 -5.312 1.00 0.00 N ATOM 605 CZ ARG A 41 6.268 7.935 -6.627 1.00 0.00 C ATOM 606 NH1 ARG A 41 7.441 7.660 -7.179 1.00 0.00 N ATOM 607 NH2 ARG A 41 5.189 8.044 -7.391 1.00 0.00 N ATOM 0 H ARG A 41 7.795 5.792 -1.946 1.00 0.00 H new ATOM 0 HA ARG A 41 6.940 7.965 -0.399 1.00 0.00 H new ATOM 0 HB2 ARG A 41 5.945 6.588 -2.904 1.00 0.00 H new ATOM 0 HB3 ARG A 41 5.044 7.922 -2.211 1.00 0.00 H new ATOM 0 HG2 ARG A 41 6.472 9.445 -3.050 1.00 0.00 H new ATOM 0 HG3 ARG A 41 7.869 8.598 -2.416 1.00 0.00 H new ATOM 0 HD2 ARG A 41 8.136 8.593 -4.785 1.00 0.00 H new ATOM 0 HD3 ARG A 41 7.648 6.964 -4.360 1.00 0.00 H new ATOM 0 HE ARG A 41 5.255 8.311 -4.918 1.00 0.00 H new ATOM 0 HH11 ARG A 41 8.272 7.575 -6.594 1.00 0.00 H new ATOM 0 HH12 ARG A 41 7.512 7.533 -8.189 1.00 0.00 H new ATOM 0 HH21 ARG A 41 4.285 8.255 -6.969 1.00 0.00 H new ATOM 0 HH22 ARG A 41 5.264 7.916 -8.400 1.00 0.00 H new ATOM 621 N LYS A 42 4.355 7.426 0.136 1.00 0.00 N ATOM 622 CA LYS A 42 3.176 7.058 0.910 1.00 0.00 C ATOM 623 C LYS A 42 1.931 7.038 0.030 1.00 0.00 C ATOM 624 O LYS A 42 1.919 7.612 -1.060 1.00 0.00 O ATOM 625 CB LYS A 42 2.977 8.035 2.071 1.00 0.00 C ATOM 626 CG LYS A 42 2.783 9.475 1.627 1.00 0.00 C ATOM 627 CD LYS A 42 1.947 10.258 2.626 1.00 0.00 C ATOM 628 CE LYS A 42 2.786 10.736 3.801 1.00 0.00 C ATOM 629 NZ LYS A 42 2.885 12.221 3.844 1.00 0.00 N ATOM 0 H LYS A 42 4.341 8.380 -0.225 1.00 0.00 H new ATOM 0 HA LYS A 42 3.333 6.056 1.309 1.00 0.00 H new ATOM 0 HB2 LYS A 42 2.110 7.723 2.653 1.00 0.00 H new ATOM 0 HB3 LYS A 42 3.841 7.981 2.733 1.00 0.00 H new ATOM 0 HG2 LYS A 42 3.755 9.955 1.509 1.00 0.00 H new ATOM 0 HG3 LYS A 42 2.298 9.494 0.651 1.00 0.00 H new ATOM 0 HD2 LYS A 42 1.493 11.115 2.129 1.00 0.00 H new ATOM 0 HD3 LYS A 42 1.132 9.632 2.990 1.00 0.00 H new ATOM 0 HE2 LYS A 42 2.348 10.374 4.731 1.00 0.00 H new ATOM 0 HE3 LYS A 42 3.786 10.307 3.732 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 3.465 12.507 4.659 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 3.326 12.565 2.967 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 1.933 12.630 3.936 1.00 0.00 H new ATOM 643 N HIS A 43 0.883 6.375 0.509 1.00 0.00 N ATOM 644 CA HIS A 43 -0.369 6.282 -0.235 1.00 0.00 C ATOM 645 C HIS A 43 -1.567 6.439 0.697 1.00 0.00 C ATOM 646 O HIS A 43 -1.662 5.765 1.723 1.00 0.00 O ATOM 647 CB HIS A 43 -0.452 4.944 -0.970 1.00 0.00 C ATOM 648 CG HIS A 43 0.298 4.926 -2.267 1.00 0.00 C ATOM 649 ND1 HIS A 43 -0.313 5.095 -3.491 1.00 0.00 N ATOM 650 CD2 HIS A 43 1.616 4.759 -2.525 1.00 0.00 C ATOM 651 CE1 HIS A 43 0.597 5.031 -4.447 1.00 0.00 C ATOM 652 NE2 HIS A 43 1.776 4.828 -3.887 1.00 0.00 N ATOM 0 H HIS A 43 0.876 5.894 1.409 1.00 0.00 H new ATOM 0 HA HIS A 43 -0.390 7.091 -0.965 1.00 0.00 H new ATOM 0 HB2 HIS A 43 -0.062 4.158 -0.323 1.00 0.00 H new ATOM 0 HB3 HIS A 43 -1.499 4.708 -1.162 1.00 0.00 H new ATOM 0 HD2 HIS A 43 2.397 4.601 -1.796 1.00 0.00 H new ATOM 0 HE1 HIS A 43 0.409 5.128 -5.506 1.00 0.00 H new ATOM 0 HE2 HIS A 43 2.661 4.737 -4.385 1.00 0.00 H new ATOM 660 N HIS A 44 -2.480 7.335 0.333 1.00 0.00 N ATOM 661 CA HIS A 44 -3.672 7.581 1.137 1.00 0.00 C ATOM 662 C HIS A 44 -4.773 6.582 0.794 1.00 0.00 C ATOM 663 O HIS A 44 -5.331 6.609 -0.303 1.00 0.00 O ATOM 664 CB HIS A 44 -4.175 9.008 0.917 1.00 0.00 C ATOM 665 CG HIS A 44 -4.517 9.725 2.187 1.00 0.00 C ATOM 666 ND1 HIS A 44 -4.553 11.099 2.289 1.00 0.00 N ATOM 667 CD2 HIS A 44 -4.841 9.249 3.412 1.00 0.00 C ATOM 668 CE1 HIS A 44 -4.883 11.439 3.522 1.00 0.00 C ATOM 669 NE2 HIS A 44 -5.063 10.335 4.224 1.00 0.00 N ATOM 0 H HIS A 44 -2.417 7.902 -0.513 1.00 0.00 H new ATOM 0 HA HIS A 44 -3.406 7.456 2.186 1.00 0.00 H new ATOM 0 HB2 HIS A 44 -3.412 9.575 0.383 1.00 0.00 H new ATOM 0 HB3 HIS A 44 -5.057 8.979 0.277 1.00 0.00 H new ATOM 0 HD2 HIS A 44 -4.912 8.210 3.698 1.00 0.00 H new ATOM 0 HE1 HIS A 44 -4.988 12.448 3.893 1.00 0.00 H new ATOM 0 HE2 HIS A 44 -5.324 10.295 5.209 1.00 0.00 H new ATOM 677 N CYS A 45 -5.081 5.701 1.740 1.00 0.00 N ATOM 678 CA CYS A 45 -6.114 4.692 1.540 1.00 0.00 C ATOM 679 C CYS A 45 -7.454 5.344 1.210 1.00 0.00 C ATOM 680 O CYS A 45 -7.789 6.402 1.742 1.00 0.00 O ATOM 681 CB CYS A 45 -6.253 3.819 2.788 1.00 0.00 C ATOM 682 SG CYS A 45 -7.145 2.256 2.506 1.00 0.00 S ATOM 0 H CYS A 45 -4.629 5.666 2.654 1.00 0.00 H new ATOM 0 HA CYS A 45 -5.817 4.066 0.699 1.00 0.00 H new ATOM 0 HB2 CYS A 45 -5.259 3.593 3.173 1.00 0.00 H new ATOM 0 HB3 CYS A 45 -6.772 4.387 3.560 1.00 0.00 H new ATOM 687 N ARG A 46 -8.216 4.704 0.329 1.00 0.00 N ATOM 688 CA ARG A 46 -9.519 5.222 -0.073 1.00 0.00 C ATOM 689 C ARG A 46 -10.641 4.506 0.673 1.00 0.00 C ATOM 690 O ARG A 46 -11.796 4.531 0.249 1.00 0.00 O ATOM 691 CB ARG A 46 -9.712 5.061 -1.582 1.00 0.00 C ATOM 692 CG ARG A 46 -8.987 6.115 -2.404 1.00 0.00 C ATOM 693 CD ARG A 46 -7.618 5.626 -2.853 1.00 0.00 C ATOM 694 NE ARG A 46 -7.142 6.342 -4.033 1.00 0.00 N ATOM 695 CZ ARG A 46 -6.687 7.590 -4.002 1.00 0.00 C ATOM 696 NH1 ARG A 46 -6.646 8.256 -2.857 1.00 0.00 N ATOM 697 NH2 ARG A 46 -6.271 8.173 -5.119 1.00 0.00 N ATOM 0 H ARG A 46 -7.954 3.826 -0.120 1.00 0.00 H new ATOM 0 HA ARG A 46 -9.555 6.282 0.180 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -9.361 4.074 -1.882 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -10.777 5.103 -1.810 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -9.587 6.374 -3.277 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -8.874 7.024 -1.814 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -6.903 5.752 -2.040 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -7.668 4.559 -3.072 1.00 0.00 H new ATOM 0 HE ARG A 46 -7.160 5.858 -4.930 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -6.964 7.811 -1.996 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -6.296 9.214 -2.836 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -6.300 7.663 -6.002 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -5.922 9.131 -5.095 1.00 0.00 H new ATOM 711 N ASN A 47 -10.293 3.869 1.787 1.00 0.00 N ATOM 712 CA ASN A 47 -11.271 3.146 2.591 1.00 0.00 C ATOM 713 C ASN A 47 -11.228 3.609 4.045 1.00 0.00 C ATOM 714 O ASN A 47 -12.133 4.298 4.515 1.00 0.00 O ATOM 715 CB ASN A 47 -11.011 1.640 2.516 1.00 0.00 C ATOM 716 CG ASN A 47 -12.028 0.838 3.304 1.00 0.00 C ATOM 717 OD1 ASN A 47 -12.946 1.397 3.905 1.00 0.00 O ATOM 718 ND2 ASN A 47 -11.868 -0.481 3.306 1.00 0.00 N ATOM 0 H ASN A 47 -9.341 3.839 2.153 1.00 0.00 H new ATOM 0 HA ASN A 47 -12.262 3.357 2.189 1.00 0.00 H new ATOM 0 HB2 ASN A 47 -11.031 1.322 1.474 1.00 0.00 H new ATOM 0 HB3 ASN A 47 -10.012 1.427 2.895 1.00 0.00 H new ATOM 0 HD21 ASN A 47 -12.521 -1.073 3.820 1.00 0.00 H new ATOM 0 HD22 ASN A 47 -11.093 -0.901 2.794 1.00 0.00 H new ATOM 725 N CYS A 48 -10.171 3.224 4.751 1.00 0.00 N ATOM 726 CA CYS A 48 -10.008 3.599 6.151 1.00 0.00 C ATOM 727 C CYS A 48 -9.596 5.062 6.278 1.00 0.00 C ATOM 728 O CYS A 48 -9.934 5.731 7.254 1.00 0.00 O ATOM 729 CB CYS A 48 -8.965 2.703 6.822 1.00 0.00 C ATOM 730 SG CYS A 48 -7.311 2.792 6.065 1.00 0.00 S ATOM 0 H CYS A 48 -9.414 2.652 4.377 1.00 0.00 H new ATOM 0 HA CYS A 48 -10.967 3.466 6.651 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -8.887 2.979 7.874 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -9.313 1.671 6.789 1.00 0.00 H new ATOM 735 N GLY A 49 -8.862 5.553 5.284 1.00 0.00 N ATOM 736 CA GLY A 49 -8.415 6.934 5.303 1.00 0.00 C ATOM 737 C GLY A 49 -7.199 7.137 6.185 1.00 0.00 C ATOM 738 O GLY A 49 -7.140 8.089 6.964 1.00 0.00 O ATOM 0 H GLY A 49 -8.569 5.019 4.466 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -8.180 7.251 4.287 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -9.226 7.571 5.656 1.00 0.00 H new ATOM 742 N HIS A 50 -6.226 6.240 6.063 1.00 0.00 N ATOM 743 CA HIS A 50 -5.005 6.326 6.857 1.00 0.00 C ATOM 744 C HIS A 50 -3.779 6.452 5.956 1.00 0.00 C ATOM 745 O HIS A 50 -3.886 6.369 4.733 1.00 0.00 O ATOM 746 CB HIS A 50 -4.868 5.095 7.754 1.00 0.00 C ATOM 747 CG HIS A 50 -5.743 5.139 8.969 1.00 0.00 C ATOM 748 ND1 HIS A 50 -5.248 5.107 10.255 1.00 0.00 N ATOM 749 CD2 HIS A 50 -7.090 5.215 9.087 1.00 0.00 C ATOM 750 CE1 HIS A 50 -6.252 5.159 11.112 1.00 0.00 C ATOM 751 NE2 HIS A 50 -7.380 5.226 10.429 1.00 0.00 N ATOM 0 H HIS A 50 -6.259 5.446 5.423 1.00 0.00 H new ATOM 0 HA HIS A 50 -5.069 7.217 7.482 1.00 0.00 H new ATOM 0 HB2 HIS A 50 -5.110 4.204 7.174 1.00 0.00 H new ATOM 0 HB3 HIS A 50 -3.829 4.998 8.068 1.00 0.00 H new ATOM 0 HD2 HIS A 50 -7.803 5.259 8.277 1.00 0.00 H new ATOM 0 HE1 HIS A 50 -6.165 5.148 12.188 1.00 0.00 H new ATOM 0 HE2 HIS A 50 -8.315 5.278 10.833 1.00 0.00 H new ATOM 759 N ILE A 51 -2.618 6.654 6.570 1.00 0.00 N ATOM 760 CA ILE A 51 -1.374 6.791 5.824 1.00 0.00 C ATOM 761 C ILE A 51 -0.555 5.506 5.879 1.00 0.00 C ATOM 762 O ILE A 51 -0.387 4.909 6.943 1.00 0.00 O ATOM 763 CB ILE A 51 -0.520 7.955 6.363 1.00 0.00 C ATOM 764 CG1 ILE A 51 -1.303 9.267 6.290 1.00 0.00 C ATOM 765 CG2 ILE A 51 0.780 8.063 5.581 1.00 0.00 C ATOM 766 CD1 ILE A 51 -1.714 9.649 4.885 1.00 0.00 C ATOM 0 H ILE A 51 -2.513 6.726 7.582 1.00 0.00 H new ATOM 0 HA ILE A 51 -1.648 7.000 4.790 1.00 0.00 H new ATOM 0 HB ILE A 51 -0.278 7.756 7.407 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -2.195 9.183 6.911 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -0.695 10.067 6.712 1.00 0.00 H new ATOM 0 HG21 ILE A 51 1.373 8.889 5.973 1.00 0.00 H new ATOM 0 HG22 ILE A 51 1.342 7.134 5.680 1.00 0.00 H new ATOM 0 HG23 ILE A 51 0.558 8.243 4.529 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -2.265 10.589 4.910 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -0.825 9.766 4.265 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -2.348 8.868 4.466 1.00 0.00 H new ATOM 778 N PHE A 52 -0.045 5.086 4.726 1.00 0.00 N ATOM 779 CA PHE A 52 0.758 3.872 4.642 1.00 0.00 C ATOM 780 C PHE A 52 1.841 4.008 3.576 1.00 0.00 C ATOM 781 O PHE A 52 1.889 5.000 2.847 1.00 0.00 O ATOM 782 CB PHE A 52 -0.132 2.667 4.330 1.00 0.00 C ATOM 783 CG PHE A 52 -0.987 2.237 5.488 1.00 0.00 C ATOM 784 CD1 PHE A 52 -0.451 1.485 6.520 1.00 0.00 C ATOM 785 CD2 PHE A 52 -2.327 2.587 5.544 1.00 0.00 C ATOM 786 CE1 PHE A 52 -1.236 1.087 7.586 1.00 0.00 C ATOM 787 CE2 PHE A 52 -3.117 2.193 6.607 1.00 0.00 C ATOM 788 CZ PHE A 52 -2.570 1.443 7.630 1.00 0.00 C ATOM 0 H PHE A 52 -0.174 5.569 3.837 1.00 0.00 H new ATOM 0 HA PHE A 52 1.241 3.719 5.607 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -0.775 2.910 3.484 1.00 0.00 H new ATOM 0 HB3 PHE A 52 0.496 1.831 4.023 1.00 0.00 H new ATOM 0 HD1 PHE A 52 0.592 1.206 6.492 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -2.759 3.175 4.747 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -0.807 0.498 8.383 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -4.160 2.471 6.638 1.00 0.00 H new ATOM 0 HZ PHE A 52 -3.185 1.135 8.463 1.00 0.00 H new ATOM 798 N CYS A 53 2.709 3.006 3.491 1.00 0.00 N ATOM 799 CA CYS A 53 3.793 3.013 2.516 1.00 0.00 C ATOM 800 C CYS A 53 3.430 2.173 1.295 1.00 0.00 C ATOM 801 O CYS A 53 2.368 1.555 1.247 1.00 0.00 O ATOM 802 CB CYS A 53 5.080 2.482 3.150 1.00 0.00 C ATOM 803 SG CYS A 53 5.036 0.705 3.547 1.00 0.00 S ATOM 0 H CYS A 53 2.683 2.178 4.086 1.00 0.00 H new ATOM 0 HA CYS A 53 3.953 4.042 2.193 1.00 0.00 H new ATOM 0 HB2 CYS A 53 5.911 2.671 2.471 1.00 0.00 H new ATOM 0 HB3 CYS A 53 5.280 3.042 4.063 1.00 0.00 H new ATOM 808 N ASN A 54 4.322 2.156 0.309 1.00 0.00 N ATOM 809 CA ASN A 54 4.097 1.393 -0.913 1.00 0.00 C ATOM 810 C ASN A 54 3.956 -0.095 -0.607 1.00 0.00 C ATOM 811 O ASN A 54 3.075 -0.770 -1.140 1.00 0.00 O ATOM 812 CB ASN A 54 5.246 1.616 -1.898 1.00 0.00 C ATOM 813 CG ASN A 54 5.185 2.980 -2.558 1.00 0.00 C ATOM 814 OD1 ASN A 54 4.927 3.989 -1.902 1.00 0.00 O ATOM 815 ND2 ASN A 54 5.422 3.016 -3.864 1.00 0.00 N ATOM 0 H ASN A 54 5.207 2.662 0.333 1.00 0.00 H new ATOM 0 HA ASN A 54 3.168 1.743 -1.364 1.00 0.00 H new ATOM 0 HB2 ASN A 54 6.196 1.511 -1.374 1.00 0.00 H new ATOM 0 HB3 ASN A 54 5.218 0.842 -2.665 1.00 0.00 H new ATOM 0 HD21 ASN A 54 5.394 3.905 -4.363 1.00 0.00 H new ATOM 0 HD22 ASN A 54 5.632 2.155 -4.368 1.00 0.00 H new ATOM 822 N THR A 55 4.831 -0.601 0.257 1.00 0.00 N ATOM 823 CA THR A 55 4.805 -2.009 0.635 1.00 0.00 C ATOM 824 C THR A 55 3.476 -2.381 1.282 1.00 0.00 C ATOM 825 O THR A 55 3.064 -3.540 1.254 1.00 0.00 O ATOM 826 CB THR A 55 5.950 -2.350 1.607 1.00 0.00 C ATOM 827 OG1 THR A 55 7.127 -1.613 1.257 1.00 0.00 O ATOM 828 CG2 THR A 55 6.253 -3.841 1.584 1.00 0.00 C ATOM 0 H THR A 55 5.566 -0.057 0.708 1.00 0.00 H new ATOM 0 HA THR A 55 4.932 -2.585 -0.282 1.00 0.00 H new ATOM 0 HB THR A 55 5.636 -2.074 2.614 1.00 0.00 H new ATOM 0 HG1 THR A 55 7.849 -1.835 1.881 1.00 0.00 H new ATOM 0 HG21 THR A 55 7.065 -4.058 2.278 1.00 0.00 H new ATOM 0 HG22 THR A 55 5.364 -4.398 1.880 1.00 0.00 H new ATOM 0 HG23 THR A 55 6.548 -4.137 0.577 1.00 0.00 H new ATOM 836 N CYS A 56 2.809 -1.390 1.863 1.00 0.00 N ATOM 837 CA CYS A 56 1.525 -1.612 2.518 1.00 0.00 C ATOM 838 C CYS A 56 0.372 -1.387 1.544 1.00 0.00 C ATOM 839 O CYS A 56 -0.642 -2.083 1.595 1.00 0.00 O ATOM 840 CB CYS A 56 1.377 -0.684 3.725 1.00 0.00 C ATOM 841 SG CYS A 56 2.317 -1.215 5.192 1.00 0.00 S ATOM 0 H CYS A 56 3.136 -0.424 1.894 1.00 0.00 H new ATOM 0 HA CYS A 56 1.493 -2.647 2.859 1.00 0.00 H new ATOM 0 HB2 CYS A 56 1.702 0.317 3.442 1.00 0.00 H new ATOM 0 HB3 CYS A 56 0.322 -0.614 3.989 1.00 0.00 H new ATOM 846 N SER A 57 0.536 -0.410 0.658 1.00 0.00 N ATOM 847 CA SER A 57 -0.493 -0.090 -0.326 1.00 0.00 C ATOM 848 C SER A 57 -0.270 -0.870 -1.618 1.00 0.00 C ATOM 849 O SER A 57 -0.313 -0.307 -2.711 1.00 0.00 O ATOM 850 CB SER A 57 -0.499 1.412 -0.618 1.00 0.00 C ATOM 851 OG SER A 57 0.598 1.776 -1.438 1.00 0.00 O ATOM 0 H SER A 57 1.371 0.174 0.601 1.00 0.00 H new ATOM 0 HA SER A 57 -1.460 -0.376 0.089 1.00 0.00 H new ATOM 0 HB2 SER A 57 -1.432 1.686 -1.110 1.00 0.00 H new ATOM 0 HB3 SER A 57 -0.457 1.968 0.319 1.00 0.00 H new ATOM 0 HG SER A 57 0.518 1.331 -2.307 1.00 0.00 H new ATOM 857 N SER A 58 -0.033 -2.171 -1.482 1.00 0.00 N ATOM 858 CA SER A 58 0.201 -3.030 -2.638 1.00 0.00 C ATOM 859 C SER A 58 -0.993 -3.949 -2.881 1.00 0.00 C ATOM 860 O SER A 58 -0.829 -5.133 -3.169 1.00 0.00 O ATOM 861 CB SER A 58 1.467 -3.863 -2.433 1.00 0.00 C ATOM 862 OG SER A 58 2.122 -4.107 -3.666 1.00 0.00 O ATOM 0 H SER A 58 0.002 -2.653 -0.584 1.00 0.00 H new ATOM 0 HA SER A 58 0.332 -2.393 -3.513 1.00 0.00 H new ATOM 0 HB2 SER A 58 2.143 -3.342 -1.755 1.00 0.00 H new ATOM 0 HB3 SER A 58 1.210 -4.811 -1.960 1.00 0.00 H new ATOM 0 HG SER A 58 2.929 -4.640 -3.508 1.00 0.00 H new ATOM 868 N ASN A 59 -2.194 -3.392 -2.763 1.00 0.00 N ATOM 869 CA ASN A 59 -3.416 -4.161 -2.969 1.00 0.00 C ATOM 870 C ASN A 59 -4.537 -3.270 -3.495 1.00 0.00 C ATOM 871 O ASN A 59 -4.514 -2.054 -3.310 1.00 0.00 O ATOM 872 CB ASN A 59 -3.850 -4.828 -1.662 1.00 0.00 C ATOM 873 CG ASN A 59 -3.574 -3.960 -0.450 1.00 0.00 C ATOM 874 OD1 ASN A 59 -4.444 -3.219 0.008 1.00 0.00 O ATOM 875 ND2 ASN A 59 -2.358 -4.047 0.075 1.00 0.00 N ATOM 0 H ASN A 59 -2.347 -2.412 -2.526 1.00 0.00 H new ATOM 0 HA ASN A 59 -3.210 -4.932 -3.712 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -4.915 -5.054 -1.709 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -3.328 -5.778 -1.551 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -2.113 -3.486 0.891 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -1.668 -4.675 -0.338 1.00 0.00 H new ATOM 882 N GLU A 60 -5.516 -3.885 -4.151 1.00 0.00 N ATOM 883 CA GLU A 60 -6.646 -3.147 -4.704 1.00 0.00 C ATOM 884 C GLU A 60 -7.942 -3.936 -4.545 1.00 0.00 C ATOM 885 O GLU A 60 -7.947 -5.165 -4.625 1.00 0.00 O ATOM 886 CB GLU A 60 -6.404 -2.833 -6.182 1.00 0.00 C ATOM 887 CG GLU A 60 -5.381 -1.733 -6.412 1.00 0.00 C ATOM 888 CD GLU A 60 -5.021 -1.568 -7.875 1.00 0.00 C ATOM 889 OE1 GLU A 60 -5.798 -0.919 -8.607 1.00 0.00 O ATOM 890 OE2 GLU A 60 -3.964 -2.087 -8.289 1.00 0.00 O ATOM 0 H GLU A 60 -5.550 -4.892 -4.312 1.00 0.00 H new ATOM 0 HA GLU A 60 -6.741 -2.212 -4.152 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -6.070 -3.739 -6.687 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -7.348 -2.541 -6.642 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -5.774 -0.791 -6.030 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -4.479 -1.956 -5.843 1.00 0.00 H new ATOM 897 N LEU A 61 -9.039 -3.222 -4.319 1.00 0.00 N ATOM 898 CA LEU A 61 -10.342 -3.854 -4.149 1.00 0.00 C ATOM 899 C LEU A 61 -11.463 -2.921 -4.596 1.00 0.00 C ATOM 900 O LEU A 61 -11.366 -1.704 -4.448 1.00 0.00 O ATOM 901 CB LEU A 61 -10.549 -4.255 -2.687 1.00 0.00 C ATOM 902 CG LEU A 61 -11.434 -5.478 -2.445 1.00 0.00 C ATOM 903 CD1 LEU A 61 -10.815 -6.717 -3.074 1.00 0.00 C ATOM 904 CD2 LEU A 61 -11.657 -5.689 -0.955 1.00 0.00 C ATOM 0 H LEU A 61 -9.052 -2.204 -4.249 1.00 0.00 H new ATOM 0 HA LEU A 61 -10.369 -4.748 -4.772 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -9.572 -4.444 -2.241 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -10.982 -3.407 -2.157 1.00 0.00 H new ATOM 0 HG LEU A 61 -12.401 -5.301 -2.915 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -11.458 -7.578 -2.892 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -10.708 -6.565 -4.148 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -9.834 -6.897 -2.634 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -12.289 -6.564 -0.802 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -10.697 -5.844 -0.462 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -12.145 -4.811 -0.532 1.00 0.00 H new ATOM 916 N ALA A 62 -12.527 -3.502 -5.142 1.00 0.00 N ATOM 917 CA ALA A 62 -13.668 -2.723 -5.606 1.00 0.00 C ATOM 918 C ALA A 62 -14.617 -2.400 -4.457 1.00 0.00 C ATOM 919 O ALA A 62 -15.376 -3.258 -4.005 1.00 0.00 O ATOM 920 CB ALA A 62 -14.405 -3.471 -6.707 1.00 0.00 C ATOM 0 H ALA A 62 -12.622 -4.509 -5.274 1.00 0.00 H new ATOM 0 HA ALA A 62 -13.294 -1.782 -6.009 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -15.255 -2.878 -7.044 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -13.729 -3.645 -7.544 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -14.760 -4.427 -6.323 1.00 0.00 H new ATOM 926 N LEU A 63 -14.568 -1.158 -3.987 1.00 0.00 N ATOM 927 CA LEU A 63 -15.424 -0.722 -2.889 1.00 0.00 C ATOM 928 C LEU A 63 -16.744 -0.167 -3.414 1.00 0.00 C ATOM 929 O LEU A 63 -16.860 0.234 -4.572 1.00 0.00 O ATOM 930 CB LEU A 63 -14.709 0.339 -2.050 1.00 0.00 C ATOM 931 CG LEU A 63 -13.742 -0.184 -0.988 1.00 0.00 C ATOM 932 CD1 LEU A 63 -12.981 0.966 -0.346 1.00 0.00 C ATOM 933 CD2 LEU A 63 -14.491 -0.985 0.068 1.00 0.00 C ATOM 0 H LEU A 63 -13.945 -0.436 -4.349 1.00 0.00 H new ATOM 0 HA LEU A 63 -15.639 -1.588 -2.263 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -14.157 0.995 -2.724 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -15.463 0.951 -1.556 1.00 0.00 H new ATOM 0 HG LEU A 63 -13.022 -0.843 -1.473 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -12.298 0.574 0.407 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -12.413 1.498 -1.110 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -13.686 1.651 0.125 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -13.787 -1.349 0.816 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -15.234 -0.348 0.549 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -14.990 -1.832 -0.404 1.00 0.00 H new ATOM 945 N PRO A 64 -17.763 -0.141 -2.543 1.00 0.00 N ATOM 946 CA PRO A 64 -19.093 0.366 -2.896 1.00 0.00 C ATOM 947 C PRO A 64 -19.102 1.876 -3.103 1.00 0.00 C ATOM 948 O PRO A 64 -20.037 2.427 -3.684 1.00 0.00 O ATOM 949 CB PRO A 64 -19.950 -0.013 -1.685 1.00 0.00 C ATOM 950 CG PRO A 64 -18.986 -0.105 -0.553 1.00 0.00 C ATOM 951 CD PRO A 64 -17.696 -0.602 -1.146 1.00 0.00 C ATOM 0 HA PRO A 64 -19.452 -0.051 -3.837 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -20.717 0.737 -1.492 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -20.464 -0.961 -1.845 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -18.848 0.866 -0.078 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -19.350 -0.787 0.215 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -16.830 -0.190 -0.628 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -17.617 -1.687 -1.084 1.00 0.00 H new ATOM 959 N SER A 65 -18.055 2.541 -2.625 1.00 0.00 N ATOM 960 CA SER A 65 -17.944 3.989 -2.755 1.00 0.00 C ATOM 961 C SER A 65 -17.527 4.377 -4.170 1.00 0.00 C ATOM 962 O SER A 65 -18.163 5.217 -4.808 1.00 0.00 O ATOM 963 CB SER A 65 -16.934 4.537 -1.745 1.00 0.00 C ATOM 964 OG SER A 65 -17.113 5.929 -1.548 1.00 0.00 O ATOM 0 H SER A 65 -17.271 2.100 -2.144 1.00 0.00 H new ATOM 0 HA SER A 65 -18.923 4.423 -2.551 1.00 0.00 H new ATOM 0 HB2 SER A 65 -17.046 4.015 -0.795 1.00 0.00 H new ATOM 0 HB3 SER A 65 -15.921 4.344 -2.098 1.00 0.00 H new ATOM 0 HG SER A 65 -16.457 6.254 -0.897 1.00 0.00 H new ATOM 970 N TYR A 66 -16.455 3.760 -4.655 1.00 0.00 N ATOM 971 CA TYR A 66 -15.951 4.042 -5.993 1.00 0.00 C ATOM 972 C TYR A 66 -16.423 2.985 -6.987 1.00 0.00 C ATOM 973 O TYR A 66 -16.710 1.842 -6.628 1.00 0.00 O ATOM 974 CB TYR A 66 -14.423 4.101 -5.983 1.00 0.00 C ATOM 975 CG TYR A 66 -13.864 5.169 -5.069 1.00 0.00 C ATOM 976 CD1 TYR A 66 -13.685 6.471 -5.519 1.00 0.00 C ATOM 977 CD2 TYR A 66 -13.515 4.875 -3.757 1.00 0.00 C ATOM 978 CE1 TYR A 66 -13.175 7.450 -4.688 1.00 0.00 C ATOM 979 CE2 TYR A 66 -13.006 5.848 -2.919 1.00 0.00 C ATOM 980 CZ TYR A 66 -12.837 7.133 -3.389 1.00 0.00 C ATOM 981 OH TYR A 66 -12.328 8.104 -2.557 1.00 0.00 O ATOM 0 H TYR A 66 -15.919 3.061 -4.141 1.00 0.00 H new ATOM 0 HA TYR A 66 -16.344 5.010 -6.305 1.00 0.00 H new ATOM 0 HB2 TYR A 66 -14.032 3.131 -5.676 1.00 0.00 H new ATOM 0 HB3 TYR A 66 -14.068 4.281 -6.998 1.00 0.00 H new ATOM 0 HD1 TYR A 66 -13.949 6.722 -6.536 1.00 0.00 H new ATOM 0 HD2 TYR A 66 -13.644 3.869 -3.386 1.00 0.00 H new ATOM 0 HE1 TYR A 66 -13.042 8.458 -5.054 1.00 0.00 H new ATOM 0 HE2 TYR A 66 -12.742 5.603 -1.901 1.00 0.00 H new ATOM 0 HH TYR A 66 -12.143 7.716 -1.676 1.00 0.00 H new ATOM 991 N PRO A 67 -16.506 3.373 -8.268 1.00 0.00 N ATOM 992 CA PRO A 67 -16.942 2.475 -9.341 1.00 0.00 C ATOM 993 C PRO A 67 -15.917 1.385 -9.636 1.00 0.00 C ATOM 994 O PRO A 67 -16.273 0.227 -9.857 1.00 0.00 O ATOM 995 CB PRO A 67 -17.092 3.408 -10.546 1.00 0.00 C ATOM 996 CG PRO A 67 -16.172 4.545 -10.261 1.00 0.00 C ATOM 997 CD PRO A 67 -16.180 4.720 -8.767 1.00 0.00 C ATOM 0 HA PRO A 67 -17.857 1.943 -9.081 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -16.822 2.903 -11.474 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -18.121 3.750 -10.657 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -15.166 4.333 -10.624 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -16.507 5.453 -10.762 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -15.214 5.063 -8.397 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -16.921 5.455 -8.452 1.00 0.00 H new ATOM 1005 N LYS A 68 -14.643 1.762 -9.639 1.00 0.00 N ATOM 1006 CA LYS A 68 -13.566 0.816 -9.905 1.00 0.00 C ATOM 1007 C LYS A 68 -12.701 0.613 -8.665 1.00 0.00 C ATOM 1008 O LYS A 68 -12.659 1.452 -7.764 1.00 0.00 O ATOM 1009 CB LYS A 68 -12.701 1.311 -11.067 1.00 0.00 C ATOM 1010 CG LYS A 68 -12.416 2.802 -11.022 1.00 0.00 C ATOM 1011 CD LYS A 68 -10.984 3.109 -11.425 1.00 0.00 C ATOM 1012 CE LYS A 68 -10.921 4.234 -12.447 1.00 0.00 C ATOM 1013 NZ LYS A 68 -9.601 4.922 -12.433 1.00 0.00 N ATOM 0 H LYS A 68 -14.331 2.717 -9.460 1.00 0.00 H new ATOM 0 HA LYS A 68 -14.014 -0.140 -10.174 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -11.755 0.769 -11.062 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -13.199 1.073 -12.007 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -13.102 3.325 -11.688 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -12.600 3.178 -10.016 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -10.408 3.386 -10.542 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -10.522 2.213 -11.840 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -11.110 3.832 -13.442 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -11.710 4.957 -12.240 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -9.598 5.682 -13.143 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -9.431 5.328 -11.491 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -8.850 4.237 -12.655 1.00 0.00 H new ATOM 1027 N PRO A 69 -11.994 -0.526 -8.615 1.00 0.00 N ATOM 1028 CA PRO A 69 -11.116 -0.864 -7.491 1.00 0.00 C ATOM 1029 C PRO A 69 -9.877 0.023 -7.436 1.00 0.00 C ATOM 1030 O PRO A 69 -9.110 0.096 -8.396 1.00 0.00 O ATOM 1031 CB PRO A 69 -10.722 -2.316 -7.773 1.00 0.00 C ATOM 1032 CG PRO A 69 -10.858 -2.465 -9.249 1.00 0.00 C ATOM 1033 CD PRO A 69 -11.997 -1.570 -9.653 1.00 0.00 C ATOM 0 HA PRO A 69 -11.611 -0.721 -6.530 1.00 0.00 H new ATOM 0 HB2 PRO A 69 -9.702 -2.520 -7.447 1.00 0.00 H new ATOM 0 HB3 PRO A 69 -11.372 -3.013 -7.243 1.00 0.00 H new ATOM 0 HG2 PRO A 69 -9.937 -2.178 -9.757 1.00 0.00 H new ATOM 0 HG3 PRO A 69 -11.061 -3.501 -9.519 1.00 0.00 H new ATOM 0 HD2 PRO A 69 -11.845 -1.149 -10.647 1.00 0.00 H new ATOM 0 HD3 PRO A 69 -12.944 -2.110 -9.677 1.00 0.00 H new ATOM 1041 N VAL A 70 -9.687 0.696 -6.306 1.00 0.00 N ATOM 1042 CA VAL A 70 -8.540 1.578 -6.125 1.00 0.00 C ATOM 1043 C VAL A 70 -7.485 0.931 -5.233 1.00 0.00 C ATOM 1044 O VAL A 70 -7.648 -0.204 -4.785 1.00 0.00 O ATOM 1045 CB VAL A 70 -8.959 2.926 -5.510 1.00 0.00 C ATOM 1046 CG1 VAL A 70 -9.732 3.757 -6.522 1.00 0.00 C ATOM 1047 CG2 VAL A 70 -9.783 2.704 -4.250 1.00 0.00 C ATOM 0 H VAL A 70 -10.313 0.647 -5.502 1.00 0.00 H new ATOM 0 HA VAL A 70 -8.118 1.755 -7.114 1.00 0.00 H new ATOM 0 HB VAL A 70 -8.059 3.476 -5.236 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -10.020 4.706 -6.070 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -9.104 3.946 -7.393 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -10.627 3.216 -6.830 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -10.070 3.667 -3.829 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -10.679 2.134 -4.497 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -9.191 2.151 -3.521 1.00 0.00 H new ATOM 1057 N ARG A 71 -6.404 1.661 -4.979 1.00 0.00 N ATOM 1058 CA ARG A 71 -5.322 1.159 -4.142 1.00 0.00 C ATOM 1059 C ARG A 71 -5.676 1.286 -2.663 1.00 0.00 C ATOM 1060 O ARG A 71 -6.007 2.371 -2.184 1.00 0.00 O ATOM 1061 CB ARG A 71 -4.027 1.918 -4.435 1.00 0.00 C ATOM 1062 CG ARG A 71 -2.770 1.110 -4.155 1.00 0.00 C ATOM 1063 CD ARG A 71 -1.535 1.783 -4.733 1.00 0.00 C ATOM 1064 NE ARG A 71 -0.667 0.833 -5.423 1.00 0.00 N ATOM 1065 CZ ARG A 71 -0.940 0.321 -6.618 1.00 0.00 C ATOM 1066 NH1 ARG A 71 -2.052 0.666 -7.252 1.00 0.00 N ATOM 1067 NH2 ARG A 71 -0.100 -0.538 -7.181 1.00 0.00 N ATOM 0 H ARG A 71 -6.255 2.603 -5.341 1.00 0.00 H new ATOM 0 HA ARG A 71 -5.176 0.104 -4.374 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -4.025 2.226 -5.481 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -4.005 2.828 -3.835 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -2.648 0.986 -3.079 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -2.875 0.112 -4.581 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -1.840 2.566 -5.427 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -0.977 2.268 -3.931 1.00 0.00 H new ATOM 0 HE ARG A 71 0.197 0.547 -4.962 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -2.700 1.326 -6.822 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -2.259 0.271 -8.169 1.00 0.00 H new ATOM 0 HH21 ARG A 71 0.756 -0.806 -6.696 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -0.311 -0.930 -8.099 1.00 0.00 H new ATOM 1081 N VAL A 72 -5.603 0.171 -1.944 1.00 0.00 N ATOM 1082 CA VAL A 72 -5.914 0.157 -0.520 1.00 0.00 C ATOM 1083 C VAL A 72 -4.743 -0.381 0.294 1.00 0.00 C ATOM 1084 O VAL A 72 -3.703 -0.742 -0.258 1.00 0.00 O ATOM 1085 CB VAL A 72 -7.163 -0.695 -0.226 1.00 0.00 C ATOM 1086 CG1 VAL A 72 -8.413 -0.014 -0.763 1.00 0.00 C ATOM 1087 CG2 VAL A 72 -7.009 -2.088 -0.820 1.00 0.00 C ATOM 0 H VAL A 72 -5.331 -0.735 -2.325 1.00 0.00 H new ATOM 0 HA VAL A 72 -6.111 1.189 -0.230 1.00 0.00 H new ATOM 0 HB VAL A 72 -7.268 -0.794 0.854 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -9.285 -0.631 -0.546 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -8.530 0.960 -0.287 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -8.321 0.118 -1.841 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -7.900 -2.677 -0.603 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -6.879 -2.011 -1.899 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -6.137 -2.575 -0.383 1.00 0.00 H new ATOM 1097 N CYS A 73 -4.918 -0.433 1.610 1.00 0.00 N ATOM 1098 CA CYS A 73 -3.876 -0.926 2.502 1.00 0.00 C ATOM 1099 C CYS A 73 -4.154 -2.368 2.918 1.00 0.00 C ATOM 1100 O CYS A 73 -5.296 -2.827 2.879 1.00 0.00 O ATOM 1101 CB CYS A 73 -3.773 -0.037 3.743 1.00 0.00 C ATOM 1102 SG CYS A 73 -5.178 -0.196 4.891 1.00 0.00 S ATOM 0 H CYS A 73 -5.773 -0.139 2.083 1.00 0.00 H new ATOM 0 HA CYS A 73 -2.929 -0.897 1.964 1.00 0.00 H new ATOM 0 HB2 CYS A 73 -2.853 -0.280 4.275 1.00 0.00 H new ATOM 0 HB3 CYS A 73 -3.693 1.003 3.426 1.00 0.00 H new ATOM 1107 N ASP A 74 -3.103 -3.076 3.317 1.00 0.00 N ATOM 1108 CA ASP A 74 -3.234 -4.465 3.742 1.00 0.00 C ATOM 1109 C ASP A 74 -4.246 -4.593 4.876 1.00 0.00 C ATOM 1110 O ASP A 74 -4.862 -5.644 5.056 1.00 0.00 O ATOM 1111 CB ASP A 74 -1.878 -5.014 4.187 1.00 0.00 C ATOM 1112 CG ASP A 74 -1.415 -6.177 3.331 1.00 0.00 C ATOM 1113 OD1 ASP A 74 -2.198 -7.134 3.157 1.00 0.00 O ATOM 1114 OD2 ASP A 74 -0.269 -6.129 2.836 1.00 0.00 O ATOM 0 H ASP A 74 -2.151 -2.711 3.355 1.00 0.00 H new ATOM 0 HA ASP A 74 -3.592 -5.047 2.893 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -1.135 -4.217 4.145 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -1.943 -5.335 5.227 1.00 0.00 H new ATOM 1119 N SER A 75 -4.411 -3.518 5.640 1.00 0.00 N ATOM 1120 CA SER A 75 -5.344 -3.512 6.760 1.00 0.00 C ATOM 1121 C SER A 75 -6.786 -3.574 6.266 1.00 0.00 C ATOM 1122 O SER A 75 -7.675 -4.059 6.967 1.00 0.00 O ATOM 1123 CB SER A 75 -5.140 -2.259 7.614 1.00 0.00 C ATOM 1124 OG SER A 75 -5.286 -2.553 8.993 1.00 0.00 O ATOM 0 H SER A 75 -3.910 -2.640 5.504 1.00 0.00 H new ATOM 0 HA SER A 75 -5.148 -4.395 7.369 1.00 0.00 H new ATOM 0 HB2 SER A 75 -4.148 -1.847 7.430 1.00 0.00 H new ATOM 0 HB3 SER A 75 -5.861 -1.495 7.323 1.00 0.00 H new ATOM 0 HG SER A 75 -5.149 -1.737 9.518 1.00 0.00 H new ATOM 1130 N CYS A 76 -7.011 -3.081 5.053 1.00 0.00 N ATOM 1131 CA CYS A 76 -8.345 -3.079 4.463 1.00 0.00 C ATOM 1132 C CYS A 76 -8.533 -4.280 3.541 1.00 0.00 C ATOM 1133 O CYS A 76 -9.568 -4.947 3.575 1.00 0.00 O ATOM 1134 CB CYS A 76 -8.579 -1.783 3.684 1.00 0.00 C ATOM 1135 SG CYS A 76 -8.783 -0.310 4.736 1.00 0.00 S ATOM 0 H CYS A 76 -6.287 -2.677 4.459 1.00 0.00 H new ATOM 0 HA CYS A 76 -9.073 -3.146 5.271 1.00 0.00 H new ATOM 0 HB2 CYS A 76 -7.739 -1.621 3.009 1.00 0.00 H new ATOM 0 HB3 CYS A 76 -9.468 -1.900 3.064 1.00 0.00 H new ATOM 1140 N HIS A 77 -7.525 -4.551 2.717 1.00 0.00 N ATOM 1141 CA HIS A 77 -7.578 -5.673 1.786 1.00 0.00 C ATOM 1142 C HIS A 77 -7.939 -6.965 2.513 1.00 0.00 C ATOM 1143 O HIS A 77 -8.994 -7.553 2.270 1.00 0.00 O ATOM 1144 CB HIS A 77 -6.237 -5.833 1.071 1.00 0.00 C ATOM 1145 CG HIS A 77 -6.308 -6.703 -0.146 1.00 0.00 C ATOM 1146 ND1 HIS A 77 -5.467 -7.776 -0.355 1.00 0.00 N ATOM 1147 CD2 HIS A 77 -7.127 -6.655 -1.223 1.00 0.00 C ATOM 1148 CE1 HIS A 77 -5.765 -8.349 -1.507 1.00 0.00 C ATOM 1149 NE2 HIS A 77 -6.769 -7.688 -2.054 1.00 0.00 N ATOM 0 H HIS A 77 -6.662 -4.009 2.675 1.00 0.00 H new ATOM 0 HA HIS A 77 -8.352 -5.465 1.047 1.00 0.00 H new ATOM 0 HB2 HIS A 77 -5.868 -4.849 0.783 1.00 0.00 H new ATOM 0 HB3 HIS A 77 -5.511 -6.254 1.767 1.00 0.00 H new ATOM 0 HD2 HIS A 77 -7.915 -5.938 -1.396 1.00 0.00 H new ATOM 0 HE1 HIS A 77 -5.271 -9.212 -1.930 1.00 0.00 H new ATOM 0 HE2 HIS A 77 -7.207 -7.909 -2.948 1.00 0.00 H new ATOM 1157 N THR A 78 -7.056 -7.403 3.404 1.00 0.00 N ATOM 1158 CA THR A 78 -7.280 -8.627 4.164 1.00 0.00 C ATOM 1159 C THR A 78 -8.583 -8.554 4.951 1.00 0.00 C ATOM 1160 O THR A 78 -9.296 -9.550 5.085 1.00 0.00 O ATOM 1161 CB THR A 78 -6.120 -8.903 5.139 1.00 0.00 C ATOM 1162 OG1 THR A 78 -4.866 -8.755 4.463 1.00 0.00 O ATOM 1163 CG2 THR A 78 -6.225 -10.304 5.722 1.00 0.00 C ATOM 0 H THR A 78 -6.179 -6.929 3.618 1.00 0.00 H new ATOM 0 HA THR A 78 -7.339 -9.441 3.442 1.00 0.00 H new ATOM 0 HB THR A 78 -6.180 -8.182 5.954 1.00 0.00 H new ATOM 0 HG1 THR A 78 -4.591 -7.815 4.486 1.00 0.00 H new ATOM 0 HG21 THR A 78 -5.395 -10.476 6.407 1.00 0.00 H new ATOM 0 HG22 THR A 78 -7.167 -10.404 6.261 1.00 0.00 H new ATOM 0 HG23 THR A 78 -6.188 -11.037 4.916 1.00 0.00 H new ATOM 1171 N LEU A 79 -8.890 -7.370 5.471 1.00 0.00 N ATOM 1172 CA LEU A 79 -10.110 -7.167 6.245 1.00 0.00 C ATOM 1173 C LEU A 79 -11.345 -7.495 5.412 1.00 0.00 C ATOM 1174 O LEU A 79 -12.200 -8.276 5.830 1.00 0.00 O ATOM 1175 CB LEU A 79 -10.186 -5.724 6.745 1.00 0.00 C ATOM 1176 CG LEU A 79 -11.496 -5.315 7.418 1.00 0.00 C ATOM 1177 CD1 LEU A 79 -11.608 -5.947 8.796 1.00 0.00 C ATOM 1178 CD2 LEU A 79 -11.596 -3.799 7.515 1.00 0.00 C ATOM 0 H LEU A 79 -8.311 -6.536 5.371 1.00 0.00 H new ATOM 0 HA LEU A 79 -10.084 -7.841 7.102 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -9.372 -5.562 7.452 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -10.012 -5.058 5.900 1.00 0.00 H new ATOM 0 HG LEU A 79 -12.324 -5.675 6.807 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -12.547 -5.644 9.260 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -11.583 -7.033 8.701 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -10.774 -5.618 9.416 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -12.535 -3.526 7.997 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -10.762 -3.416 8.103 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -11.563 -3.367 6.515 1.00 0.00 H new ATOM 1190 N LEU A 80 -11.430 -6.895 4.229 1.00 0.00 N ATOM 1191 CA LEU A 80 -12.559 -7.124 3.335 1.00 0.00 C ATOM 1192 C LEU A 80 -12.566 -8.561 2.824 1.00 0.00 C ATOM 1193 O LEU A 80 -13.626 -9.149 2.605 1.00 0.00 O ATOM 1194 CB LEU A 80 -12.507 -6.152 2.155 1.00 0.00 C ATOM 1195 CG LEU A 80 -12.712 -4.675 2.494 1.00 0.00 C ATOM 1196 CD1 LEU A 80 -11.813 -3.800 1.633 1.00 0.00 C ATOM 1197 CD2 LEU A 80 -14.171 -4.283 2.313 1.00 0.00 C ATOM 0 H LEU A 80 -10.731 -6.247 3.867 1.00 0.00 H new ATOM 0 HA LEU A 80 -13.476 -6.953 3.898 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -11.541 -6.261 1.663 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -13.268 -6.448 1.433 1.00 0.00 H new ATOM 0 HG LEU A 80 -12.442 -4.522 3.539 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -11.973 -2.752 1.888 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -10.770 -4.062 1.812 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -12.051 -3.958 0.581 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -14.298 -3.229 2.559 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -14.468 -4.452 1.278 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -14.794 -4.887 2.972 1.00 0.00 H new ATOM 1209 N LEU A 81 -11.377 -9.123 2.637 1.00 0.00 N ATOM 1210 CA LEU A 81 -11.245 -10.493 2.153 1.00 0.00 C ATOM 1211 C LEU A 81 -11.701 -11.490 3.213 1.00 0.00 C ATOM 1212 O LEU A 81 -12.173 -12.580 2.890 1.00 0.00 O ATOM 1213 CB LEU A 81 -9.794 -10.778 1.759 1.00 0.00 C ATOM 1214 CG LEU A 81 -9.333 -10.188 0.426 1.00 0.00 C ATOM 1215 CD1 LEU A 81 -7.832 -9.944 0.441 1.00 0.00 C ATOM 1216 CD2 LEU A 81 -9.714 -11.107 -0.725 1.00 0.00 C ATOM 0 H LEU A 81 -10.490 -8.651 2.813 1.00 0.00 H new ATOM 0 HA LEU A 81 -11.882 -10.606 1.276 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -9.143 -10.398 2.546 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -9.654 -11.858 1.723 1.00 0.00 H new ATOM 0 HG LEU A 81 -9.835 -9.231 0.282 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -7.522 -9.524 -0.516 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -7.585 -9.246 1.241 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -7.312 -10.887 0.609 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -9.378 -10.671 -1.666 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -9.241 -12.079 -0.586 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -10.797 -11.231 -0.749 1.00 0.00 H new ATOM 1228 N GLN A 82 -11.559 -11.108 4.478 1.00 0.00 N ATOM 1229 CA GLN A 82 -11.958 -11.970 5.585 1.00 0.00 C ATOM 1230 C GLN A 82 -13.231 -11.452 6.246 1.00 0.00 C ATOM 1231 O GLN A 82 -13.454 -11.663 7.438 1.00 0.00 O ATOM 1232 CB GLN A 82 -10.834 -12.062 6.618 1.00 0.00 C ATOM 1233 CG GLN A 82 -10.644 -10.787 7.425 1.00 0.00 C ATOM 1234 CD GLN A 82 -10.965 -10.974 8.895 1.00 0.00 C ATOM 1235 OE1 GLN A 82 -10.347 -11.790 9.579 1.00 0.00 O ATOM 1236 NE2 GLN A 82 -11.936 -10.215 9.390 1.00 0.00 N ATOM 0 H GLN A 82 -11.171 -10.208 4.762 1.00 0.00 H new ATOM 0 HA GLN A 82 -12.157 -12.964 5.185 1.00 0.00 H new ATOM 0 HB2 GLN A 82 -11.045 -12.886 7.300 1.00 0.00 H new ATOM 0 HB3 GLN A 82 -9.901 -12.302 6.108 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -9.614 -10.447 7.322 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -11.281 -10.003 7.015 1.00 0.00 H new ATOM 0 HE21 GLN A 82 -12.422 -9.551 8.787 1.00 0.00 H new ATOM 0 HE22 GLN A 82 -12.195 -10.296 10.373 1.00 0.00 H new ATOM 1245 N ARG A 83 -14.064 -10.773 5.463 1.00 0.00 N ATOM 1246 CA ARG A 83 -15.314 -10.223 5.973 1.00 0.00 C ATOM 1247 C ARG A 83 -16.511 -10.827 5.244 1.00 0.00 C ATOM 1248 O ARG A 83 -17.265 -11.616 5.815 1.00 0.00 O ATOM 1249 CB ARG A 83 -15.326 -8.701 5.822 1.00 0.00 C ATOM 1250 CG ARG A 83 -15.249 -7.957 7.145 1.00 0.00 C ATOM 1251 CD ARG A 83 -16.236 -6.801 7.194 1.00 0.00 C ATOM 1252 NE ARG A 83 -16.385 -6.264 8.544 1.00 0.00 N ATOM 1253 CZ ARG A 83 -17.305 -5.368 8.881 1.00 0.00 C ATOM 1254 NH1 ARG A 83 -18.155 -4.911 7.971 1.00 0.00 N ATOM 1255 NH2 ARG A 83 -17.377 -4.927 10.130 1.00 0.00 N ATOM 0 H ARG A 83 -13.895 -10.591 4.474 1.00 0.00 H new ATOM 0 HA ARG A 83 -15.389 -10.476 7.030 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -14.486 -8.400 5.196 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -16.235 -8.403 5.300 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -15.454 -8.647 7.964 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -14.237 -7.579 7.293 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -15.900 -6.009 6.524 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -17.206 -7.137 6.829 1.00 0.00 H new ATOM 0 HE ARG A 83 -15.747 -6.596 9.268 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -18.103 -5.248 7.010 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -18.861 -4.223 8.233 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -16.725 -5.276 10.833 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -18.084 -4.239 10.388 1.00 0.00 H new ATOM 1269 N CYS A 84 -16.679 -10.450 3.981 1.00 0.00 N ATOM 1270 CA CYS A 84 -17.785 -10.953 3.174 1.00 0.00 C ATOM 1271 C CYS A 84 -19.126 -10.591 3.803 1.00 0.00 C ATOM 1272 O CYS A 84 -19.183 -9.845 4.781 1.00 0.00 O ATOM 1273 CB CYS A 84 -17.677 -12.470 3.013 1.00 0.00 C ATOM 1274 SG CYS A 84 -16.058 -13.039 2.442 1.00 0.00 S ATOM 0 H CYS A 84 -16.064 -9.798 3.494 1.00 0.00 H new ATOM 0 HA CYS A 84 -17.727 -10.485 2.191 1.00 0.00 H new ATOM 0 HB2 CYS A 84 -17.900 -12.943 3.970 1.00 0.00 H new ATOM 0 HB3 CYS A 84 -18.437 -12.805 2.307 1.00 0.00 H new ATOM 0 HG CYS A 84 -16.065 -14.335 2.339 1.00 0.00 H new ATOM 1280 N SER A 85 -20.204 -11.123 3.235 1.00 0.00 N ATOM 1281 CA SER A 85 -21.545 -10.852 3.737 1.00 0.00 C ATOM 1282 C SER A 85 -21.832 -11.670 4.992 1.00 0.00 C ATOM 1283 O SER A 85 -22.432 -11.175 5.946 1.00 0.00 O ATOM 1284 CB SER A 85 -22.588 -11.164 2.662 1.00 0.00 C ATOM 1285 OG SER A 85 -22.021 -11.923 1.607 1.00 0.00 O ATOM 0 H SER A 85 -20.174 -11.744 2.427 1.00 0.00 H new ATOM 0 HA SER A 85 -21.602 -9.794 3.993 1.00 0.00 H new ATOM 0 HB2 SER A 85 -23.418 -11.714 3.105 1.00 0.00 H new ATOM 0 HB3 SER A 85 -22.997 -10.234 2.267 1.00 0.00 H new ATOM 0 HG SER A 85 -22.708 -12.111 0.934 1.00 0.00 H new ATOM 1291 N SER A 86 -21.398 -12.926 4.984 1.00 0.00 N ATOM 1292 CA SER A 86 -21.610 -13.816 6.120 1.00 0.00 C ATOM 1293 C SER A 86 -23.099 -13.977 6.413 1.00 0.00 C ATOM 1294 O SER A 86 -23.522 -13.959 7.569 1.00 0.00 O ATOM 1295 CB SER A 86 -20.890 -13.278 7.358 1.00 0.00 C ATOM 1296 OG SER A 86 -19.603 -12.786 7.026 1.00 0.00 O ATOM 0 H SER A 86 -20.897 -13.351 4.203 1.00 0.00 H new ATOM 0 HA SER A 86 -21.199 -14.793 5.866 1.00 0.00 H new ATOM 0 HB2 SER A 86 -21.482 -12.482 7.809 1.00 0.00 H new ATOM 0 HB3 SER A 86 -20.799 -14.069 8.102 1.00 0.00 H new ATOM 0 HG SER A 86 -19.164 -12.446 7.834 1.00 0.00 H new ATOM 1302 N THR A 87 -23.890 -14.135 5.356 1.00 0.00 N ATOM 1303 CA THR A 87 -25.331 -14.298 5.497 1.00 0.00 C ATOM 1304 C THR A 87 -25.816 -15.550 4.776 1.00 0.00 C ATOM 1305 O THR A 87 -26.212 -15.493 3.612 1.00 0.00 O ATOM 1306 CB THR A 87 -26.091 -13.076 4.949 1.00 0.00 C ATOM 1307 OG1 THR A 87 -25.543 -11.872 5.497 1.00 0.00 O ATOM 1308 CG2 THR A 87 -27.572 -13.164 5.286 1.00 0.00 C ATOM 0 H THR A 87 -23.556 -14.153 4.392 1.00 0.00 H new ATOM 0 HA THR A 87 -25.535 -14.395 6.563 1.00 0.00 H new ATOM 0 HB THR A 87 -25.981 -13.064 3.865 1.00 0.00 H new ATOM 0 HG1 THR A 87 -26.031 -11.100 5.142 1.00 0.00 H new ATOM 0 HG21 THR A 87 -28.088 -12.290 4.889 1.00 0.00 H new ATOM 0 HG22 THR A 87 -27.993 -14.067 4.843 1.00 0.00 H new ATOM 0 HG23 THR A 87 -27.697 -13.199 6.368 1.00 0.00 H new ATOM 1316 N ALA A 88 -25.784 -16.680 5.474 1.00 0.00 N ATOM 1317 CA ALA A 88 -26.223 -17.946 4.900 1.00 0.00 C ATOM 1318 C ALA A 88 -26.485 -18.981 5.989 1.00 0.00 C ATOM 1319 O ALA A 88 -25.734 -19.945 6.135 1.00 0.00 O ATOM 1320 CB ALA A 88 -25.188 -18.465 3.913 1.00 0.00 C ATOM 0 H ALA A 88 -25.458 -16.745 6.438 1.00 0.00 H new ATOM 0 HA ALA A 88 -27.159 -17.771 4.369 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -25.529 -19.411 3.492 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -25.053 -17.739 3.111 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -24.239 -18.618 4.427 1.00 0.00 H new ATOM 1326 N SER A 89 -27.555 -18.775 6.751 1.00 0.00 N ATOM 1327 CA SER A 89 -27.913 -19.688 7.829 1.00 0.00 C ATOM 1328 C SER A 89 -26.777 -19.805 8.841 1.00 0.00 C ATOM 1329 O SER A 89 -26.643 -18.935 9.701 1.00 0.00 O ATOM 1330 CB SER A 89 -28.252 -21.069 7.265 1.00 0.00 C ATOM 1331 OG SER A 89 -27.899 -22.094 8.178 1.00 0.00 O ATOM 0 H SER A 89 -28.189 -17.983 6.641 1.00 0.00 H new ATOM 0 HA SER A 89 -28.790 -19.285 8.337 1.00 0.00 H new ATOM 0 HB2 SER A 89 -29.318 -21.124 7.046 1.00 0.00 H new ATOM 0 HB3 SER A 89 -27.725 -21.220 6.323 1.00 0.00 H new ATOM 0 HG SER A 89 -28.127 -22.966 7.795 1.00 0.00 H new TER 1337 SER A 89 HETATM 1338 ZN ZN A 201 4.179 0.183 5.587 1.00 0.00 ZN HETATM 1339 ZN ZN A 401 -6.979 1.099 4.458 1.00 0.00 ZN