USER MOD reduce.3.24.130724 H: found=0, std=0, add=648, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 646 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 9 CYS SG : rot 153:sc= 1.38 USER MOD Set 1.2: A 81 CYS SG : rot 139:sc= 2.13 USER MOD Set 2.1: A 7 LYS NZ :NH3+ 154:sc= 0.717 (180deg=0.411) USER MOD Set 2.2: A 72 TYR OH : rot 180:sc= 0 USER MOD Set 3.1: A 17 HIS : no HE2:sc= -0.315 K(o=-0.34,f=-2.4) USER MOD Set 3.2: A 36 SER OG : rot 180:sc= -0.0299 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 140:sc= 0.019 (180deg=0) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 SER OG : rot 110:sc= -0.978 USER MOD Single : A 10 CYS SG : rot 180:sc= 0.0257 USER MOD Single : A 11 ASN : amide:sc= -1.17 K(o=-1.2,f=-8.4!) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 15 ASN : amide:sc= 1.92 K(o=1.9,f=-0.0044) USER MOD Single : A 20 MET CE :methyl 167:sc= -0.516 (180deg=-0.885) USER MOD Single : A 22 CYS SG : rot -30:sc= -0.594 USER MOD Single : A 29 LYS NZ :NH3+ 152:sc= 1.21 (180deg=0.663) USER MOD Single : A 30 MET CE :methyl 167:sc= -0.0321 (180deg=-0.248) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 LYS NZ :NH3+ 161:sc= 1.22 (180deg=1.13) USER MOD Single : A 47 SER OG : rot -156:sc= 1.24 USER MOD Single : A 50 GLN : amide:sc= 0 X(o=0,f=-0.18) USER MOD Single : A 51 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 CYS SG : rot 180:sc= -0.01 USER MOD Single : A 57 ASN : amide:sc= 2.06 K(o=2.1,f=-4.7!) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 HIS : no HD1:sc= -0.0825 X(o=-0.083,f=0) USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot 180:sc= 0.00357 USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 80 GLN : amide:sc= 0.579 K(o=0.58,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 2.732 -1.614 -0.644 1.00 0.00 N ATOM 2 CA MET A 1 3.362 -1.091 -1.879 1.00 0.00 C ATOM 3 C MET A 1 4.582 -0.238 -1.519 1.00 0.00 C ATOM 4 O MET A 1 4.548 0.523 -0.550 1.00 0.00 O ATOM 5 CB MET A 1 2.348 -0.304 -2.738 1.00 0.00 C ATOM 6 CG MET A 1 2.917 0.145 -4.092 1.00 0.00 C ATOM 7 SD MET A 1 3.548 -1.185 -5.155 1.00 0.00 S ATOM 8 CE MET A 1 4.109 -0.189 -6.563 1.00 0.00 C ATOM 0 H1 MET A 1 1.697 -1.574 -0.738 1.00 0.00 H new ATOM 0 H2 MET A 1 3.028 -2.600 -0.494 1.00 0.00 H new ATOM 0 H3 MET A 1 3.028 -1.036 0.168 1.00 0.00 H new ATOM 0 HA MET A 1 3.698 -1.933 -2.484 1.00 0.00 H new ATOM 0 HB2 MET A 1 1.469 -0.925 -2.909 1.00 0.00 H new ATOM 0 HB3 MET A 1 2.016 0.573 -2.183 1.00 0.00 H new ATOM 0 HG2 MET A 1 2.138 0.681 -4.634 1.00 0.00 H new ATOM 0 HG3 MET A 1 3.724 0.855 -3.910 1.00 0.00 H new ATOM 0 HE1 MET A 1 4.532 -0.843 -7.326 1.00 0.00 H new ATOM 0 HE2 MET A 1 3.264 0.358 -6.982 1.00 0.00 H new ATOM 0 HE3 MET A 1 4.869 0.518 -6.229 1.00 0.00 H new ATOM 20 N GLU A 2 5.660 -0.350 -2.298 1.00 0.00 N ATOM 21 CA GLU A 2 6.891 0.424 -2.157 1.00 0.00 C ATOM 22 C GLU A 2 7.306 0.834 -3.574 1.00 0.00 C ATOM 23 O GLU A 2 6.895 0.192 -4.548 1.00 0.00 O ATOM 24 CB GLU A 2 7.988 -0.404 -1.461 1.00 0.00 C ATOM 25 CG GLU A 2 7.554 -0.929 -0.083 1.00 0.00 C ATOM 26 CD GLU A 2 8.711 -1.571 0.700 1.00 0.00 C ATOM 27 OE1 GLU A 2 9.168 -2.678 0.331 1.00 0.00 O ATOM 28 OE2 GLU A 2 9.141 -0.987 1.721 1.00 0.00 O ATOM 0 H GLU A 2 5.699 -1.010 -3.075 1.00 0.00 H new ATOM 0 HA GLU A 2 6.737 1.303 -1.531 1.00 0.00 H new ATOM 0 HB2 GLU A 2 8.259 -1.247 -2.097 1.00 0.00 H new ATOM 0 HB3 GLU A 2 8.882 0.209 -1.346 1.00 0.00 H new ATOM 0 HG2 GLU A 2 7.139 -0.107 0.500 1.00 0.00 H new ATOM 0 HG3 GLU A 2 6.758 -1.662 -0.213 1.00 0.00 H new ATOM 35 N TRP A 3 8.115 1.885 -3.702 1.00 0.00 N ATOM 36 CA TRP A 3 8.397 2.536 -4.967 1.00 0.00 C ATOM 37 C TRP A 3 9.898 2.811 -5.067 1.00 0.00 C ATOM 38 O TRP A 3 10.635 2.639 -4.095 1.00 0.00 O ATOM 39 CB TRP A 3 7.568 3.831 -5.042 1.00 0.00 C ATOM 40 CG TRP A 3 6.093 3.701 -4.777 1.00 0.00 C ATOM 41 CD1 TRP A 3 5.517 3.748 -3.556 1.00 0.00 C ATOM 42 CD2 TRP A 3 4.992 3.527 -5.724 1.00 0.00 C ATOM 43 NE1 TRP A 3 4.149 3.613 -3.675 1.00 0.00 N ATOM 44 CE2 TRP A 3 3.767 3.481 -4.992 1.00 0.00 C ATOM 45 CE3 TRP A 3 4.898 3.436 -7.130 1.00 0.00 C ATOM 46 CZ2 TRP A 3 2.520 3.336 -5.623 1.00 0.00 C ATOM 47 CZ3 TRP A 3 3.655 3.289 -7.774 1.00 0.00 C ATOM 48 CH2 TRP A 3 2.467 3.236 -7.023 1.00 0.00 C ATOM 0 H TRP A 3 8.598 2.311 -2.911 1.00 0.00 H new ATOM 0 HA TRP A 3 8.121 1.901 -5.809 1.00 0.00 H new ATOM 0 HB2 TRP A 3 7.981 4.542 -4.327 1.00 0.00 H new ATOM 0 HB3 TRP A 3 7.699 4.263 -6.034 1.00 0.00 H new ATOM 0 HD1 TRP A 3 6.049 3.873 -2.624 1.00 0.00 H new ATOM 0 HE1 TRP A 3 3.502 3.611 -2.887 1.00 0.00 H new ATOM 0 HE3 TRP A 3 5.799 3.480 -7.724 1.00 0.00 H new ATOM 0 HZ2 TRP A 3 1.613 3.302 -5.038 1.00 0.00 H new ATOM 0 HZ3 TRP A 3 3.613 3.217 -8.851 1.00 0.00 H new ATOM 0 HH2 TRP A 3 1.516 3.119 -7.522 1.00 0.00 H new ATOM 59 N LEU A 4 10.350 3.246 -6.238 1.00 0.00 N ATOM 60 CA LEU A 4 11.750 3.387 -6.605 1.00 0.00 C ATOM 61 C LEU A 4 11.931 4.716 -7.313 1.00 0.00 C ATOM 62 O LEU A 4 11.235 5.019 -8.280 1.00 0.00 O ATOM 63 CB LEU A 4 12.132 2.226 -7.529 1.00 0.00 C ATOM 64 CG LEU A 4 13.521 2.274 -8.190 1.00 0.00 C ATOM 65 CD1 LEU A 4 14.660 2.253 -7.168 1.00 0.00 C ATOM 66 CD2 LEU A 4 13.659 1.060 -9.117 1.00 0.00 C ATOM 0 H LEU A 4 9.719 3.522 -6.990 1.00 0.00 H new ATOM 0 HA LEU A 4 12.391 3.364 -5.723 1.00 0.00 H new ATOM 0 HB2 LEU A 4 12.064 1.302 -6.955 1.00 0.00 H new ATOM 0 HB3 LEU A 4 11.385 2.165 -8.320 1.00 0.00 H new ATOM 0 HG LEU A 4 13.598 3.211 -8.742 1.00 0.00 H new ATOM 0 HD11 LEU A 4 15.617 2.289 -7.689 1.00 0.00 H new ATOM 0 HD12 LEU A 4 14.573 3.117 -6.509 1.00 0.00 H new ATOM 0 HD13 LEU A 4 14.602 1.339 -6.577 1.00 0.00 H new ATOM 0 HD21 LEU A 4 14.638 1.077 -9.595 1.00 0.00 H new ATOM 0 HD22 LEU A 4 13.555 0.144 -8.535 1.00 0.00 H new ATOM 0 HD23 LEU A 4 12.882 1.095 -9.881 1.00 0.00 H new ATOM 78 N VAL A 5 12.880 5.491 -6.823 1.00 0.00 N ATOM 79 CA VAL A 5 13.386 6.698 -7.459 1.00 0.00 C ATOM 80 C VAL A 5 14.300 6.211 -8.574 1.00 0.00 C ATOM 81 O VAL A 5 15.360 5.647 -8.273 1.00 0.00 O ATOM 82 CB VAL A 5 14.163 7.563 -6.447 1.00 0.00 C ATOM 83 CG1 VAL A 5 14.575 8.902 -7.068 1.00 0.00 C ATOM 84 CG2 VAL A 5 13.335 7.828 -5.180 1.00 0.00 C ATOM 0 H VAL A 5 13.340 5.291 -5.935 1.00 0.00 H new ATOM 0 HA VAL A 5 12.581 7.324 -7.843 1.00 0.00 H new ATOM 0 HB VAL A 5 15.057 7.003 -6.173 1.00 0.00 H new ATOM 0 HG11 VAL A 5 15.121 9.492 -6.332 1.00 0.00 H new ATOM 0 HG12 VAL A 5 15.212 8.721 -7.933 1.00 0.00 H new ATOM 0 HG13 VAL A 5 13.685 9.447 -7.381 1.00 0.00 H new ATOM 0 HG21 VAL A 5 13.914 8.441 -4.489 1.00 0.00 H new ATOM 0 HG22 VAL A 5 12.417 8.352 -5.448 1.00 0.00 H new ATOM 0 HG23 VAL A 5 13.086 6.880 -4.703 1.00 0.00 H new ATOM 94 N LYS A 6 13.864 6.432 -9.824 1.00 0.00 N ATOM 95 CA LYS A 6 14.578 6.140 -11.074 1.00 0.00 C ATOM 96 C LYS A 6 15.238 7.389 -11.676 1.00 0.00 C ATOM 97 O LYS A 6 16.177 7.255 -12.455 1.00 0.00 O ATOM 98 CB LYS A 6 13.589 5.607 -12.121 1.00 0.00 C ATOM 99 CG LYS A 6 13.168 4.143 -11.924 1.00 0.00 C ATOM 100 CD LYS A 6 14.270 3.083 -12.100 1.00 0.00 C ATOM 101 CE LYS A 6 15.187 3.306 -13.317 1.00 0.00 C ATOM 102 NZ LYS A 6 16.203 2.230 -13.462 1.00 0.00 N ATOM 0 H LYS A 6 12.948 6.845 -9.998 1.00 0.00 H new ATOM 0 HA LYS A 6 15.348 5.409 -10.829 1.00 0.00 H new ATOM 0 HB2 LYS A 6 12.696 6.232 -12.108 1.00 0.00 H new ATOM 0 HB3 LYS A 6 14.037 5.712 -13.109 1.00 0.00 H new ATOM 0 HG2 LYS A 6 12.752 4.039 -10.922 1.00 0.00 H new ATOM 0 HG3 LYS A 6 12.365 3.921 -12.627 1.00 0.00 H new ATOM 0 HD2 LYS A 6 14.883 3.062 -11.199 1.00 0.00 H new ATOM 0 HD3 LYS A 6 13.802 2.103 -12.189 1.00 0.00 H new ATOM 0 HE2 LYS A 6 14.581 3.355 -14.222 1.00 0.00 H new ATOM 0 HE3 LYS A 6 15.691 4.268 -13.218 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 16.797 2.423 -14.294 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 16.800 2.199 -12.611 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 15.724 1.315 -13.583 1.00 0.00 H new ATOM 116 N LYS A 7 14.757 8.591 -11.342 1.00 0.00 N ATOM 117 CA LYS A 7 15.345 9.887 -11.697 1.00 0.00 C ATOM 118 C LYS A 7 15.092 10.798 -10.504 1.00 0.00 C ATOM 119 O LYS A 7 14.115 10.577 -9.787 1.00 0.00 O ATOM 120 CB LYS A 7 14.727 10.521 -12.957 1.00 0.00 C ATOM 121 CG LYS A 7 14.823 9.658 -14.223 1.00 0.00 C ATOM 122 CD LYS A 7 14.436 10.486 -15.456 1.00 0.00 C ATOM 123 CE LYS A 7 14.252 9.587 -16.687 1.00 0.00 C ATOM 124 NZ LYS A 7 13.669 10.321 -17.839 1.00 0.00 N ATOM 0 H LYS A 7 13.905 8.691 -10.790 1.00 0.00 H new ATOM 0 HA LYS A 7 16.402 9.749 -11.924 1.00 0.00 H new ATOM 0 HB2 LYS A 7 13.677 10.738 -12.760 1.00 0.00 H new ATOM 0 HB3 LYS A 7 15.219 11.475 -13.146 1.00 0.00 H new ATOM 0 HG2 LYS A 7 15.837 9.276 -14.336 1.00 0.00 H new ATOM 0 HG3 LYS A 7 14.165 8.794 -14.134 1.00 0.00 H new ATOM 0 HD2 LYS A 7 13.513 11.030 -15.258 1.00 0.00 H new ATOM 0 HD3 LYS A 7 15.208 11.229 -15.656 1.00 0.00 H new ATOM 0 HE2 LYS A 7 15.216 9.169 -16.976 1.00 0.00 H new ATOM 0 HE3 LYS A 7 13.605 8.749 -16.428 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 13.956 9.859 -18.726 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 12.632 10.315 -17.765 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 14.011 11.303 -17.834 1.00 0.00 H new ATOM 138 N SER A 8 15.913 11.819 -10.310 1.00 0.00 N ATOM 139 CA SER A 8 15.818 12.762 -9.204 1.00 0.00 C ATOM 140 C SER A 8 16.409 14.090 -9.673 1.00 0.00 C ATOM 141 O SER A 8 17.394 14.100 -10.420 1.00 0.00 O ATOM 142 CB SER A 8 16.594 12.195 -8.007 1.00 0.00 C ATOM 143 OG SER A 8 17.819 11.600 -8.417 1.00 0.00 O ATOM 0 H SER A 8 16.690 12.021 -10.939 1.00 0.00 H new ATOM 0 HA SER A 8 14.785 12.921 -8.895 1.00 0.00 H new ATOM 0 HB2 SER A 8 16.797 12.993 -7.292 1.00 0.00 H new ATOM 0 HB3 SER A 8 15.982 11.454 -7.493 1.00 0.00 H new ATOM 0 HG SER A 8 18.569 12.153 -8.113 1.00 0.00 H new ATOM 149 N CYS A 9 15.827 15.202 -9.224 1.00 0.00 N ATOM 150 CA CYS A 9 16.177 16.547 -9.657 1.00 0.00 C ATOM 151 C CYS A 9 16.374 17.407 -8.411 1.00 0.00 C ATOM 152 O CYS A 9 15.408 17.913 -7.832 1.00 0.00 O ATOM 153 CB CYS A 9 15.086 17.085 -10.596 1.00 0.00 C ATOM 154 SG CYS A 9 15.075 16.094 -12.121 1.00 0.00 S ATOM 0 H CYS A 9 15.079 15.187 -8.530 1.00 0.00 H new ATOM 0 HA CYS A 9 17.107 16.559 -10.226 1.00 0.00 H new ATOM 0 HB2 CYS A 9 14.112 17.036 -10.109 1.00 0.00 H new ATOM 0 HB3 CYS A 9 15.274 18.133 -10.829 1.00 0.00 H new ATOM 0 HG CYS A 9 13.884 16.112 -12.641 1.00 0.00 H new ATOM 160 N CYS A 10 17.633 17.510 -7.977 1.00 0.00 N ATOM 161 CA CYS A 10 18.054 18.297 -6.824 1.00 0.00 C ATOM 162 C CYS A 10 17.672 19.768 -7.010 1.00 0.00 C ATOM 163 O CYS A 10 17.737 20.289 -8.128 1.00 0.00 O ATOM 164 CB CYS A 10 19.570 18.160 -6.634 1.00 0.00 C ATOM 165 SG CYS A 10 20.039 16.410 -6.462 1.00 0.00 S ATOM 0 H CYS A 10 18.408 17.032 -8.435 1.00 0.00 H new ATOM 0 HA CYS A 10 17.546 17.923 -5.935 1.00 0.00 H new ATOM 0 HB2 CYS A 10 20.090 18.599 -7.485 1.00 0.00 H new ATOM 0 HB3 CYS A 10 19.883 18.714 -5.749 1.00 0.00 H new ATOM 0 HG CYS A 10 21.326 16.319 -6.305 1.00 0.00 H new ATOM 171 N ASN A 11 17.330 20.448 -5.915 1.00 0.00 N ATOM 172 CA ASN A 11 17.102 21.891 -5.862 1.00 0.00 C ATOM 173 C ASN A 11 17.394 22.380 -4.445 1.00 0.00 C ATOM 174 O ASN A 11 17.312 21.609 -3.486 1.00 0.00 O ATOM 175 CB ASN A 11 15.661 22.251 -6.269 1.00 0.00 C ATOM 176 CG ASN A 11 14.718 22.330 -5.079 1.00 0.00 C ATOM 177 OD1 ASN A 11 14.470 23.412 -4.552 1.00 0.00 O ATOM 178 ND2 ASN A 11 14.267 21.190 -4.583 1.00 0.00 N ATOM 0 H ASN A 11 17.200 19.994 -5.011 1.00 0.00 H new ATOM 0 HA ASN A 11 17.768 22.381 -6.572 1.00 0.00 H new ATOM 0 HB2 ASN A 11 15.663 23.209 -6.790 1.00 0.00 H new ATOM 0 HB3 ASN A 11 15.290 21.506 -6.973 1.00 0.00 H new ATOM 0 HD21 ASN A 11 13.695 21.192 -3.738 1.00 0.00 H new ATOM 0 HD22 ASN A 11 14.491 20.309 -5.045 1.00 0.00 H new ATOM 185 N LYS A 12 17.673 23.678 -4.316 1.00 0.00 N ATOM 186 CA LYS A 12 17.751 24.359 -3.024 1.00 0.00 C ATOM 187 C LYS A 12 17.160 25.768 -3.069 1.00 0.00 C ATOM 188 O LYS A 12 17.203 26.467 -2.058 1.00 0.00 O ATOM 189 CB LYS A 12 19.180 24.268 -2.445 1.00 0.00 C ATOM 190 CG LYS A 12 20.332 24.740 -3.346 1.00 0.00 C ATOM 191 CD LYS A 12 20.265 26.235 -3.673 1.00 0.00 C ATOM 192 CE LYS A 12 21.572 26.684 -4.343 1.00 0.00 C ATOM 193 NZ LYS A 12 21.603 28.144 -4.616 1.00 0.00 N ATOM 0 H LYS A 12 17.852 24.290 -5.112 1.00 0.00 H new ATOM 0 HA LYS A 12 17.111 23.835 -2.314 1.00 0.00 H new ATOM 0 HB2 LYS A 12 19.210 24.851 -1.525 1.00 0.00 H new ATOM 0 HB3 LYS A 12 19.368 23.230 -2.171 1.00 0.00 H new ATOM 0 HG2 LYS A 12 21.281 24.524 -2.856 1.00 0.00 H new ATOM 0 HG3 LYS A 12 20.316 24.170 -4.275 1.00 0.00 H new ATOM 0 HD2 LYS A 12 19.421 26.434 -4.333 1.00 0.00 H new ATOM 0 HD3 LYS A 12 20.098 26.808 -2.761 1.00 0.00 H new ATOM 0 HE2 LYS A 12 22.413 26.420 -3.702 1.00 0.00 H new ATOM 0 HE3 LYS A 12 21.701 26.140 -5.279 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 22.506 28.394 -5.068 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 20.817 28.395 -5.249 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 21.508 28.666 -3.722 1.00 0.00 H new ATOM 207 N GLN A 13 16.612 26.201 -4.216 1.00 0.00 N ATOM 208 CA GLN A 13 15.994 27.518 -4.313 1.00 0.00 C ATOM 209 C GLN A 13 14.571 27.484 -3.747 1.00 0.00 C ATOM 210 O GLN A 13 14.091 28.528 -3.301 1.00 0.00 O ATOM 211 CB GLN A 13 15.979 28.023 -5.765 1.00 0.00 C ATOM 212 CG GLN A 13 17.386 28.107 -6.380 1.00 0.00 C ATOM 213 CD GLN A 13 17.429 28.994 -7.628 1.00 0.00 C ATOM 214 OE1 GLN A 13 18.090 30.029 -7.648 1.00 0.00 O ATOM 215 NE2 GLN A 13 16.735 28.627 -8.692 1.00 0.00 N ATOM 0 H GLN A 13 16.588 25.657 -5.079 1.00 0.00 H new ATOM 0 HA GLN A 13 16.592 28.212 -3.722 1.00 0.00 H new ATOM 0 HB2 GLN A 13 15.362 27.359 -6.370 1.00 0.00 H new ATOM 0 HB3 GLN A 13 15.513 29.008 -5.798 1.00 0.00 H new ATOM 0 HG2 GLN A 13 18.081 28.497 -5.637 1.00 0.00 H new ATOM 0 HG3 GLN A 13 17.726 27.104 -6.639 1.00 0.00 H new ATOM 0 HE21 GLN A 13 16.187 27.767 -8.672 1.00 0.00 H new ATOM 0 HE22 GLN A 13 16.747 29.204 -9.533 1.00 0.00 H new ATOM 224 N ASP A 14 13.894 26.323 -3.751 1.00 0.00 N ATOM 225 CA ASP A 14 12.460 26.278 -3.403 1.00 0.00 C ATOM 226 C ASP A 14 12.052 25.057 -2.568 1.00 0.00 C ATOM 227 O ASP A 14 10.911 24.953 -2.123 1.00 0.00 O ATOM 228 CB ASP A 14 11.643 26.363 -4.697 1.00 0.00 C ATOM 229 CG ASP A 14 10.151 26.620 -4.445 1.00 0.00 C ATOM 230 OD1 ASP A 14 9.798 27.602 -3.751 1.00 0.00 O ATOM 231 OD2 ASP A 14 9.330 25.878 -5.022 1.00 0.00 O ATOM 0 H ASP A 14 14.305 25.419 -3.986 1.00 0.00 H new ATOM 0 HA ASP A 14 12.253 27.132 -2.758 1.00 0.00 H new ATOM 0 HB2 ASP A 14 12.044 27.161 -5.322 1.00 0.00 H new ATOM 0 HB3 ASP A 14 11.757 25.434 -5.255 1.00 0.00 H new ATOM 236 N ASN A 15 12.981 24.123 -2.346 1.00 0.00 N ATOM 237 CA ASN A 15 12.870 22.865 -1.600 1.00 0.00 C ATOM 238 C ASN A 15 11.992 21.829 -2.320 1.00 0.00 C ATOM 239 O ASN A 15 12.122 20.631 -2.056 1.00 0.00 O ATOM 240 CB ASN A 15 12.453 23.112 -0.133 1.00 0.00 C ATOM 241 CG ASN A 15 13.040 22.109 0.865 1.00 0.00 C ATOM 242 OD1 ASN A 15 13.508 22.494 1.931 1.00 0.00 O ATOM 243 ND2 ASN A 15 13.046 20.823 0.559 1.00 0.00 N ATOM 0 H ASN A 15 13.922 24.240 -2.721 1.00 0.00 H new ATOM 0 HA ASN A 15 13.864 22.419 -1.564 1.00 0.00 H new ATOM 0 HB2 ASN A 15 12.761 24.117 0.156 1.00 0.00 H new ATOM 0 HB3 ASN A 15 11.366 23.080 -0.066 1.00 0.00 H new ATOM 0 HD21 ASN A 15 13.441 20.145 1.211 1.00 0.00 H new ATOM 0 HD22 ASN A 15 12.655 20.508 -0.329 1.00 0.00 H new ATOM 250 N ARG A 16 11.171 22.254 -3.281 1.00 0.00 N ATOM 251 CA ARG A 16 10.325 21.399 -4.115 1.00 0.00 C ATOM 252 C ARG A 16 11.182 20.599 -5.095 1.00 0.00 C ATOM 253 O ARG A 16 11.534 21.094 -6.164 1.00 0.00 O ATOM 254 CB ARG A 16 9.293 22.234 -4.888 1.00 0.00 C ATOM 255 CG ARG A 16 8.153 22.775 -4.008 1.00 0.00 C ATOM 256 CD ARG A 16 7.058 23.573 -4.748 1.00 0.00 C ATOM 257 NE ARG A 16 6.805 23.110 -6.126 1.00 0.00 N ATOM 258 CZ ARG A 16 7.407 23.567 -7.234 1.00 0.00 C ATOM 259 NH1 ARG A 16 8.284 24.564 -7.198 1.00 0.00 N ATOM 260 NH2 ARG A 16 7.161 23.007 -8.410 1.00 0.00 N ATOM 0 H ARG A 16 11.073 23.243 -3.509 1.00 0.00 H new ATOM 0 HA ARG A 16 9.792 20.710 -3.460 1.00 0.00 H new ATOM 0 HB2 ARG A 16 9.801 23.072 -5.366 1.00 0.00 H new ATOM 0 HB3 ARG A 16 8.867 21.623 -5.684 1.00 0.00 H new ATOM 0 HG2 ARG A 16 7.682 21.935 -3.498 1.00 0.00 H new ATOM 0 HG3 ARG A 16 8.585 23.414 -3.238 1.00 0.00 H new ATOM 0 HD2 ARG A 16 6.130 23.511 -4.179 1.00 0.00 H new ATOM 0 HD3 ARG A 16 7.345 24.624 -4.776 1.00 0.00 H new ATOM 0 HE ARG A 16 6.108 22.375 -6.247 1.00 0.00 H new ATOM 0 HH11 ARG A 16 8.518 25.006 -6.309 1.00 0.00 H new ATOM 0 HH12 ARG A 16 8.724 24.888 -8.059 1.00 0.00 H new ATOM 0 HH21 ARG A 16 6.511 22.224 -8.476 1.00 0.00 H new ATOM 0 HH22 ARG A 16 7.622 23.359 -9.249 1.00 0.00 H new ATOM 274 N HIS A 17 11.539 19.379 -4.716 1.00 0.00 N ATOM 275 CA HIS A 17 12.201 18.409 -5.565 1.00 0.00 C ATOM 276 C HIS A 17 11.191 17.761 -6.510 1.00 0.00 C ATOM 277 O HIS A 17 9.978 17.833 -6.303 1.00 0.00 O ATOM 278 CB HIS A 17 12.832 17.342 -4.660 1.00 0.00 C ATOM 279 CG HIS A 17 14.092 17.822 -4.003 1.00 0.00 C ATOM 280 ND1 HIS A 17 14.210 18.586 -2.865 1.00 0.00 N ATOM 281 CD2 HIS A 17 15.345 17.637 -4.503 1.00 0.00 C ATOM 282 CE1 HIS A 17 15.517 18.858 -2.689 1.00 0.00 C ATOM 283 NE2 HIS A 17 16.253 18.311 -3.677 1.00 0.00 N ATOM 0 H HIS A 17 11.367 19.029 -3.773 1.00 0.00 H new ATOM 0 HA HIS A 17 12.967 18.897 -6.168 1.00 0.00 H new ATOM 0 HB2 HIS A 17 12.115 17.049 -3.893 1.00 0.00 H new ATOM 0 HB3 HIS A 17 13.049 16.452 -5.250 1.00 0.00 H new ATOM 0 HD1 HIS A 17 13.445 18.891 -2.263 1.00 0.00 H new ATOM 0 HD2 HIS A 17 15.596 17.068 -5.386 1.00 0.00 H new ATOM 0 HE1 HIS A 17 15.920 19.435 -1.870 1.00 0.00 H new ATOM 291 N VAL A 18 11.698 17.054 -7.518 1.00 0.00 N ATOM 292 CA VAL A 18 10.902 16.180 -8.365 1.00 0.00 C ATOM 293 C VAL A 18 11.756 14.953 -8.621 1.00 0.00 C ATOM 294 O VAL A 18 12.986 15.038 -8.701 1.00 0.00 O ATOM 295 CB VAL A 18 10.487 16.851 -9.694 1.00 0.00 C ATOM 296 CG1 VAL A 18 9.336 16.103 -10.385 1.00 0.00 C ATOM 297 CG2 VAL A 18 10.058 18.316 -9.539 1.00 0.00 C ATOM 0 H VAL A 18 12.686 17.075 -7.769 1.00 0.00 H new ATOM 0 HA VAL A 18 9.965 15.928 -7.868 1.00 0.00 H new ATOM 0 HB VAL A 18 11.391 16.811 -10.302 1.00 0.00 H new ATOM 0 HG11 VAL A 18 9.078 16.611 -11.315 1.00 0.00 H new ATOM 0 HG12 VAL A 18 9.646 15.081 -10.603 1.00 0.00 H new ATOM 0 HG13 VAL A 18 8.467 16.086 -9.728 1.00 0.00 H new ATOM 0 HG21 VAL A 18 9.781 18.719 -10.513 1.00 0.00 H new ATOM 0 HG22 VAL A 18 9.203 18.375 -8.866 1.00 0.00 H new ATOM 0 HG23 VAL A 18 10.885 18.896 -9.128 1.00 0.00 H new ATOM 307 N LEU A 19 11.092 13.810 -8.693 1.00 0.00 N ATOM 308 CA LEU A 19 11.712 12.528 -8.960 1.00 0.00 C ATOM 309 C LEU A 19 10.788 11.728 -9.873 1.00 0.00 C ATOM 310 O LEU A 19 9.618 12.080 -10.045 1.00 0.00 O ATOM 311 CB LEU A 19 12.069 11.743 -7.671 1.00 0.00 C ATOM 312 CG LEU A 19 11.658 12.247 -6.266 1.00 0.00 C ATOM 313 CD1 LEU A 19 11.967 11.138 -5.261 1.00 0.00 C ATOM 314 CD2 LEU A 19 12.432 13.504 -5.830 1.00 0.00 C ATOM 0 H LEU A 19 10.082 13.750 -8.564 1.00 0.00 H new ATOM 0 HA LEU A 19 12.667 12.701 -9.456 1.00 0.00 H new ATOM 0 HB2 LEU A 19 11.647 10.744 -7.783 1.00 0.00 H new ATOM 0 HB3 LEU A 19 13.153 11.631 -7.661 1.00 0.00 H new ATOM 0 HG LEU A 19 10.599 12.503 -6.302 1.00 0.00 H new ATOM 0 HD11 LEU A 19 11.687 11.466 -4.260 1.00 0.00 H new ATOM 0 HD12 LEU A 19 11.402 10.243 -5.521 1.00 0.00 H new ATOM 0 HD13 LEU A 19 13.033 10.913 -5.284 1.00 0.00 H new ATOM 0 HD21 LEU A 19 12.100 13.810 -4.838 1.00 0.00 H new ATOM 0 HD22 LEU A 19 13.499 13.283 -5.804 1.00 0.00 H new ATOM 0 HD23 LEU A 19 12.245 14.310 -6.539 1.00 0.00 H new ATOM 326 N MET A 20 11.305 10.637 -10.440 1.00 0.00 N ATOM 327 CA MET A 20 10.482 9.668 -11.139 1.00 0.00 C ATOM 328 C MET A 20 10.300 8.526 -10.172 1.00 0.00 C ATOM 329 O MET A 20 11.242 7.789 -9.874 1.00 0.00 O ATOM 330 CB MET A 20 11.064 9.213 -12.476 1.00 0.00 C ATOM 331 CG MET A 20 10.581 10.171 -13.567 1.00 0.00 C ATOM 332 SD MET A 20 11.058 9.735 -15.260 1.00 0.00 S ATOM 333 CE MET A 20 10.299 8.098 -15.429 1.00 0.00 C ATOM 0 H MET A 20 12.299 10.408 -10.424 1.00 0.00 H new ATOM 0 HA MET A 20 9.529 10.114 -11.425 1.00 0.00 H new ATOM 0 HB2 MET A 20 12.153 9.207 -12.432 1.00 0.00 H new ATOM 0 HB3 MET A 20 10.748 8.194 -12.700 1.00 0.00 H new ATOM 0 HG2 MET A 20 9.494 10.229 -13.519 1.00 0.00 H new ATOM 0 HG3 MET A 20 10.964 11.167 -13.346 1.00 0.00 H new ATOM 0 HE1 MET A 20 10.305 7.801 -16.478 1.00 0.00 H new ATOM 0 HE2 MET A 20 10.864 7.373 -14.843 1.00 0.00 H new ATOM 0 HE3 MET A 20 9.271 8.134 -15.068 1.00 0.00 H new ATOM 343 N LEU A 21 9.091 8.472 -9.636 1.00 0.00 N ATOM 344 CA LEU A 21 8.653 7.558 -8.611 1.00 0.00 C ATOM 345 C LEU A 21 8.036 6.396 -9.375 1.00 0.00 C ATOM 346 O LEU A 21 7.101 6.588 -10.146 1.00 0.00 O ATOM 347 CB LEU A 21 7.673 8.341 -7.726 1.00 0.00 C ATOM 348 CG LEU A 21 7.169 7.579 -6.493 1.00 0.00 C ATOM 349 CD1 LEU A 21 6.715 8.591 -5.433 1.00 0.00 C ATOM 350 CD2 LEU A 21 5.979 6.685 -6.846 1.00 0.00 C ATOM 0 H LEU A 21 8.349 9.108 -9.928 1.00 0.00 H new ATOM 0 HA LEU A 21 9.423 7.162 -7.949 1.00 0.00 H new ATOM 0 HB2 LEU A 21 8.158 9.259 -7.395 1.00 0.00 H new ATOM 0 HB3 LEU A 21 6.815 8.634 -8.330 1.00 0.00 H new ATOM 0 HG LEU A 21 7.981 6.956 -6.119 1.00 0.00 H new ATOM 0 HD11 LEU A 21 6.355 8.059 -4.553 1.00 0.00 H new ATOM 0 HD12 LEU A 21 7.555 9.227 -5.154 1.00 0.00 H new ATOM 0 HD13 LEU A 21 5.912 9.207 -5.838 1.00 0.00 H new ATOM 0 HD21 LEU A 21 5.643 6.157 -5.953 1.00 0.00 H new ATOM 0 HD22 LEU A 21 5.165 7.298 -7.233 1.00 0.00 H new ATOM 0 HD23 LEU A 21 6.280 5.961 -7.604 1.00 0.00 H new ATOM 362 N CYS A 22 8.588 5.204 -9.211 1.00 0.00 N ATOM 363 CA CYS A 22 8.300 4.061 -10.062 1.00 0.00 C ATOM 364 C CYS A 22 8.015 2.830 -9.214 1.00 0.00 C ATOM 365 O CYS A 22 8.249 2.844 -8.010 1.00 0.00 O ATOM 366 CB CYS A 22 9.525 3.823 -10.955 1.00 0.00 C ATOM 367 SG CYS A 22 9.976 5.350 -11.837 1.00 0.00 S ATOM 0 H CYS A 22 9.260 5.001 -8.471 1.00 0.00 H new ATOM 0 HA CYS A 22 7.418 4.255 -10.673 1.00 0.00 H new ATOM 0 HB2 CYS A 22 10.365 3.485 -10.348 1.00 0.00 H new ATOM 0 HB3 CYS A 22 9.311 3.031 -11.673 1.00 0.00 H new ATOM 0 HG CYS A 22 8.909 6.062 -12.045 1.00 0.00 H new ATOM 373 N ASP A 23 7.512 1.767 -9.832 1.00 0.00 N ATOM 374 CA ASP A 23 7.418 0.445 -9.213 1.00 0.00 C ATOM 375 C ASP A 23 8.786 0.063 -8.631 1.00 0.00 C ATOM 376 O ASP A 23 9.813 0.431 -9.205 1.00 0.00 O ATOM 377 CB ASP A 23 6.972 -0.560 -10.285 1.00 0.00 C ATOM 378 CG ASP A 23 7.421 -1.994 -9.978 1.00 0.00 C ATOM 379 OD1 ASP A 23 6.802 -2.648 -9.110 1.00 0.00 O ATOM 380 OD2 ASP A 23 8.398 -2.442 -10.617 1.00 0.00 O ATOM 0 H ASP A 23 7.154 1.797 -10.787 1.00 0.00 H new ATOM 0 HA ASP A 23 6.691 0.445 -8.401 1.00 0.00 H new ATOM 0 HB2 ASP A 23 5.886 -0.535 -10.371 1.00 0.00 H new ATOM 0 HB3 ASP A 23 7.375 -0.257 -11.251 1.00 0.00 H new ATOM 385 N ALA A 24 8.813 -0.672 -7.514 1.00 0.00 N ATOM 386 CA ALA A 24 10.027 -1.231 -6.919 1.00 0.00 C ATOM 387 C ALA A 24 10.628 -2.316 -7.835 1.00 0.00 C ATOM 388 O ALA A 24 10.505 -3.515 -7.572 1.00 0.00 O ATOM 389 CB ALA A 24 9.731 -1.739 -5.501 1.00 0.00 C ATOM 0 H ALA A 24 7.969 -0.899 -6.987 1.00 0.00 H new ATOM 0 HA ALA A 24 10.783 -0.451 -6.827 1.00 0.00 H new ATOM 0 HB1 ALA A 24 10.640 -2.153 -5.066 1.00 0.00 H new ATOM 0 HB2 ALA A 24 9.378 -0.912 -4.885 1.00 0.00 H new ATOM 0 HB3 ALA A 24 8.964 -2.513 -5.544 1.00 0.00 H new ATOM 395 N GLY A 25 11.241 -1.879 -8.935 1.00 0.00 N ATOM 396 CA GLY A 25 11.691 -2.714 -10.045 1.00 0.00 C ATOM 397 C GLY A 25 11.657 -1.974 -11.388 1.00 0.00 C ATOM 398 O GLY A 25 12.281 -2.416 -12.354 1.00 0.00 O ATOM 0 H GLY A 25 11.446 -0.891 -9.082 1.00 0.00 H new ATOM 0 HA2 GLY A 25 12.707 -3.057 -9.849 1.00 0.00 H new ATOM 0 HA3 GLY A 25 11.061 -3.601 -10.107 1.00 0.00 H new ATOM 402 N GLY A 26 10.958 -0.839 -11.448 1.00 0.00 N ATOM 403 CA GLY A 26 10.847 0.030 -12.610 1.00 0.00 C ATOM 404 C GLY A 26 9.826 -0.445 -13.645 1.00 0.00 C ATOM 405 O GLY A 26 9.813 0.107 -14.746 1.00 0.00 O ATOM 0 H GLY A 26 10.431 -0.489 -10.648 1.00 0.00 H new ATOM 0 HA2 GLY A 26 10.573 1.031 -12.278 1.00 0.00 H new ATOM 0 HA3 GLY A 26 11.824 0.108 -13.087 1.00 0.00 H new ATOM 409 N ALA A 27 8.983 -1.443 -13.340 1.00 0.00 N ATOM 410 CA ALA A 27 8.051 -2.019 -14.315 1.00 0.00 C ATOM 411 C ALA A 27 6.949 -1.036 -14.742 1.00 0.00 C ATOM 412 O ALA A 27 6.352 -1.201 -15.807 1.00 0.00 O ATOM 413 CB ALA A 27 7.421 -3.290 -13.735 1.00 0.00 C ATOM 0 H ALA A 27 8.930 -1.870 -12.415 1.00 0.00 H new ATOM 0 HA ALA A 27 8.627 -2.256 -15.210 1.00 0.00 H new ATOM 0 HB1 ALA A 27 6.729 -3.717 -14.461 1.00 0.00 H new ATOM 0 HB2 ALA A 27 8.204 -4.014 -13.511 1.00 0.00 H new ATOM 0 HB3 ALA A 27 6.882 -3.044 -12.820 1.00 0.00 H new ATOM 419 N ILE A 28 6.678 -0.022 -13.917 1.00 0.00 N ATOM 420 CA ILE A 28 5.722 1.061 -14.130 1.00 0.00 C ATOM 421 C ILE A 28 6.451 2.300 -13.609 1.00 0.00 C ATOM 422 O ILE A 28 7.208 2.191 -12.639 1.00 0.00 O ATOM 423 CB ILE A 28 4.404 0.783 -13.355 1.00 0.00 C ATOM 424 CG1 ILE A 28 3.753 -0.548 -13.806 1.00 0.00 C ATOM 425 CG2 ILE A 28 3.408 1.952 -13.514 1.00 0.00 C ATOM 426 CD1 ILE A 28 2.448 -0.904 -13.083 1.00 0.00 C ATOM 0 H ILE A 28 7.156 0.068 -13.020 1.00 0.00 H new ATOM 0 HA ILE A 28 5.422 1.178 -15.172 1.00 0.00 H new ATOM 0 HB ILE A 28 4.661 0.692 -12.300 1.00 0.00 H new ATOM 0 HG12 ILE A 28 3.556 -0.495 -14.877 1.00 0.00 H new ATOM 0 HG13 ILE A 28 4.468 -1.356 -13.653 1.00 0.00 H new ATOM 0 HG21 ILE A 28 2.495 1.730 -12.961 1.00 0.00 H new ATOM 0 HG22 ILE A 28 3.855 2.866 -13.124 1.00 0.00 H new ATOM 0 HG23 ILE A 28 3.170 2.086 -14.569 1.00 0.00 H new ATOM 0 HD11 ILE A 28 2.067 -1.851 -13.465 1.00 0.00 H new ATOM 0 HD12 ILE A 28 2.638 -0.994 -12.013 1.00 0.00 H new ATOM 0 HD13 ILE A 28 1.711 -0.120 -13.256 1.00 0.00 H new ATOM 438 N LYS A 29 6.244 3.469 -14.221 1.00 0.00 N ATOM 439 CA LYS A 29 6.953 4.694 -13.857 1.00 0.00 C ATOM 440 C LYS A 29 5.977 5.865 -13.818 1.00 0.00 C ATOM 441 O LYS A 29 5.055 5.943 -14.633 1.00 0.00 O ATOM 442 CB LYS A 29 8.123 4.959 -14.828 1.00 0.00 C ATOM 443 CG LYS A 29 9.151 3.806 -14.876 1.00 0.00 C ATOM 444 CD LYS A 29 10.504 4.260 -15.447 1.00 0.00 C ATOM 445 CE LYS A 29 11.607 3.184 -15.375 1.00 0.00 C ATOM 446 NZ LYS A 29 11.315 1.993 -16.215 1.00 0.00 N ATOM 0 H LYS A 29 5.578 3.591 -14.984 1.00 0.00 H new ATOM 0 HA LYS A 29 7.381 4.576 -12.862 1.00 0.00 H new ATOM 0 HB2 LYS A 29 7.725 5.123 -15.829 1.00 0.00 H new ATOM 0 HB3 LYS A 29 8.631 5.877 -14.532 1.00 0.00 H new ATOM 0 HG2 LYS A 29 9.297 3.409 -13.871 1.00 0.00 H new ATOM 0 HG3 LYS A 29 8.755 2.993 -15.485 1.00 0.00 H new ATOM 0 HD2 LYS A 29 10.367 4.557 -16.487 1.00 0.00 H new ATOM 0 HD3 LYS A 29 10.837 5.145 -14.905 1.00 0.00 H new ATOM 0 HE2 LYS A 29 12.554 3.621 -15.692 1.00 0.00 H new ATOM 0 HE3 LYS A 29 11.732 2.869 -14.339 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 12.208 1.552 -16.514 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 10.758 1.309 -15.665 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 10.775 2.284 -17.055 1.00 0.00 H new ATOM 460 N MET A 30 6.189 6.783 -12.880 1.00 0.00 N ATOM 461 CA MET A 30 5.403 7.991 -12.657 1.00 0.00 C ATOM 462 C MET A 30 6.388 9.127 -12.367 1.00 0.00 C ATOM 463 O MET A 30 7.588 8.901 -12.203 1.00 0.00 O ATOM 464 CB MET A 30 4.415 7.802 -11.485 1.00 0.00 C ATOM 465 CG MET A 30 3.386 6.686 -11.707 1.00 0.00 C ATOM 466 SD MET A 30 2.245 6.403 -10.321 1.00 0.00 S ATOM 467 CE MET A 30 1.428 8.019 -10.195 1.00 0.00 C ATOM 0 H MET A 30 6.959 6.698 -12.217 1.00 0.00 H new ATOM 0 HA MET A 30 4.803 8.222 -13.537 1.00 0.00 H new ATOM 0 HB2 MET A 30 4.980 7.585 -10.579 1.00 0.00 H new ATOM 0 HB3 MET A 30 3.887 8.740 -11.314 1.00 0.00 H new ATOM 0 HG2 MET A 30 2.802 6.923 -12.596 1.00 0.00 H new ATOM 0 HG3 MET A 30 3.919 5.758 -11.914 1.00 0.00 H new ATOM 0 HE1 MET A 30 0.551 7.934 -9.553 1.00 0.00 H new ATOM 0 HE2 MET A 30 2.121 8.745 -9.769 1.00 0.00 H new ATOM 0 HE3 MET A 30 1.121 8.350 -11.187 1.00 0.00 H new ATOM 477 N ILE A 31 5.886 10.354 -12.291 1.00 0.00 N ATOM 478 CA ILE A 31 6.624 11.554 -11.920 1.00 0.00 C ATOM 479 C ILE A 31 5.981 12.002 -10.613 1.00 0.00 C ATOM 480 O ILE A 31 4.753 11.962 -10.509 1.00 0.00 O ATOM 481 CB ILE A 31 6.494 12.626 -13.015 1.00 0.00 C ATOM 482 CG1 ILE A 31 7.018 12.113 -14.372 1.00 0.00 C ATOM 483 CG2 ILE A 31 7.270 13.909 -12.660 1.00 0.00 C ATOM 484 CD1 ILE A 31 6.231 12.774 -15.495 1.00 0.00 C ATOM 0 H ILE A 31 4.906 10.548 -12.496 1.00 0.00 H new ATOM 0 HA ILE A 31 7.693 11.377 -11.805 1.00 0.00 H new ATOM 0 HB ILE A 31 5.430 12.852 -13.087 1.00 0.00 H new ATOM 0 HG12 ILE A 31 8.080 12.338 -14.474 1.00 0.00 H new ATOM 0 HG13 ILE A 31 6.915 11.029 -14.429 1.00 0.00 H new ATOM 0 HG21 ILE A 31 7.151 14.639 -13.460 1.00 0.00 H new ATOM 0 HG22 ILE A 31 6.882 14.324 -11.730 1.00 0.00 H new ATOM 0 HG23 ILE A 31 8.327 13.673 -12.538 1.00 0.00 H new ATOM 0 HD11 ILE A 31 6.598 12.415 -16.457 1.00 0.00 H new ATOM 0 HD12 ILE A 31 5.174 12.526 -15.394 1.00 0.00 H new ATOM 0 HD13 ILE A 31 6.357 13.855 -15.440 1.00 0.00 H new ATOM 496 N ALA A 32 6.770 12.432 -9.630 1.00 0.00 N ATOM 497 CA ALA A 32 6.260 12.915 -8.359 1.00 0.00 C ATOM 498 C ALA A 32 7.049 14.154 -7.963 1.00 0.00 C ATOM 499 O ALA A 32 8.281 14.127 -7.923 1.00 0.00 O ATOM 500 CB ALA A 32 6.384 11.827 -7.289 1.00 0.00 C ATOM 0 H ALA A 32 7.787 12.453 -9.699 1.00 0.00 H new ATOM 0 HA ALA A 32 5.204 13.169 -8.452 1.00 0.00 H new ATOM 0 HB1 ALA A 32 5.998 12.203 -6.341 1.00 0.00 H new ATOM 0 HB2 ALA A 32 5.811 10.951 -7.593 1.00 0.00 H new ATOM 0 HB3 ALA A 32 7.432 11.551 -7.170 1.00 0.00 H new ATOM 506 N GLU A 33 6.336 15.235 -7.674 1.00 0.00 N ATOM 507 CA GLU A 33 6.889 16.433 -7.074 1.00 0.00 C ATOM 508 C GLU A 33 6.768 16.252 -5.561 1.00 0.00 C ATOM 509 O GLU A 33 5.732 15.797 -5.058 1.00 0.00 O ATOM 510 CB GLU A 33 6.087 17.653 -7.552 1.00 0.00 C ATOM 511 CG GLU A 33 6.687 18.972 -7.058 1.00 0.00 C ATOM 512 CD GLU A 33 5.833 20.183 -7.455 1.00 0.00 C ATOM 513 OE1 GLU A 33 5.849 20.583 -8.640 1.00 0.00 O ATOM 514 OE2 GLU A 33 5.232 20.824 -6.567 1.00 0.00 O ATOM 0 H GLU A 33 5.335 15.300 -7.856 1.00 0.00 H new ATOM 0 HA GLU A 33 7.930 16.593 -7.354 1.00 0.00 H new ATOM 0 HB2 GLU A 33 6.052 17.658 -8.641 1.00 0.00 H new ATOM 0 HB3 GLU A 33 5.059 17.570 -7.200 1.00 0.00 H new ATOM 0 HG2 GLU A 33 6.786 18.940 -5.973 1.00 0.00 H new ATOM 0 HG3 GLU A 33 7.691 19.088 -7.467 1.00 0.00 H new ATOM 521 N VAL A 34 7.821 16.599 -4.830 1.00 0.00 N ATOM 522 CA VAL A 34 7.943 16.320 -3.410 1.00 0.00 C ATOM 523 C VAL A 34 8.699 17.466 -2.729 1.00 0.00 C ATOM 524 O VAL A 34 9.313 18.298 -3.397 1.00 0.00 O ATOM 525 CB VAL A 34 8.646 14.956 -3.196 1.00 0.00 C ATOM 526 CG1 VAL A 34 7.969 13.766 -3.899 1.00 0.00 C ATOM 527 CG2 VAL A 34 10.116 14.963 -3.631 1.00 0.00 C ATOM 0 H VAL A 34 8.626 17.091 -5.217 1.00 0.00 H new ATOM 0 HA VAL A 34 6.954 16.252 -2.957 1.00 0.00 H new ATOM 0 HB VAL A 34 8.566 14.819 -2.118 1.00 0.00 H new ATOM 0 HG11 VAL A 34 8.530 12.855 -3.693 1.00 0.00 H new ATOM 0 HG12 VAL A 34 6.950 13.656 -3.528 1.00 0.00 H new ATOM 0 HG13 VAL A 34 7.947 13.943 -4.974 1.00 0.00 H new ATOM 0 HG21 VAL A 34 10.552 13.979 -3.456 1.00 0.00 H new ATOM 0 HG22 VAL A 34 10.180 15.205 -4.692 1.00 0.00 H new ATOM 0 HG23 VAL A 34 10.662 15.710 -3.055 1.00 0.00 H new ATOM 537 N LYS A 35 8.703 17.507 -1.401 1.00 0.00 N ATOM 538 CA LYS A 35 9.571 18.370 -0.609 1.00 0.00 C ATOM 539 C LYS A 35 10.349 17.417 0.284 1.00 0.00 C ATOM 540 O LYS A 35 9.770 16.458 0.795 1.00 0.00 O ATOM 541 CB LYS A 35 8.751 19.393 0.194 1.00 0.00 C ATOM 542 CG LYS A 35 9.650 20.518 0.731 1.00 0.00 C ATOM 543 CD LYS A 35 8.888 21.570 1.552 1.00 0.00 C ATOM 544 CE LYS A 35 7.901 22.382 0.698 1.00 0.00 C ATOM 545 NZ LYS A 35 7.216 23.438 1.488 1.00 0.00 N ATOM 0 H LYS A 35 8.087 16.926 -0.832 1.00 0.00 H new ATOM 0 HA LYS A 35 10.241 18.971 -1.224 1.00 0.00 H new ATOM 0 HB2 LYS A 35 7.971 19.816 -0.439 1.00 0.00 H new ATOM 0 HB3 LYS A 35 8.252 18.893 1.024 1.00 0.00 H new ATOM 0 HG2 LYS A 35 10.433 20.082 1.351 1.00 0.00 H new ATOM 0 HG3 LYS A 35 10.143 21.010 -0.107 1.00 0.00 H new ATOM 0 HD2 LYS A 35 8.345 21.074 2.357 1.00 0.00 H new ATOM 0 HD3 LYS A 35 9.602 22.248 2.020 1.00 0.00 H new ATOM 0 HE2 LYS A 35 8.435 22.841 -0.134 1.00 0.00 H new ATOM 0 HE3 LYS A 35 7.157 21.711 0.268 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 6.560 23.961 0.873 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 6.685 22.999 2.267 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 7.923 24.094 1.877 1.00 0.00 H new ATOM 559 N SER A 36 11.632 17.672 0.483 1.00 0.00 N ATOM 560 CA SER A 36 12.533 16.708 1.106 1.00 0.00 C ATOM 561 C SER A 36 13.322 17.391 2.217 1.00 0.00 C ATOM 562 O SER A 36 13.791 18.517 2.035 1.00 0.00 O ATOM 563 CB SER A 36 13.461 16.117 0.033 1.00 0.00 C ATOM 564 OG SER A 36 12.767 15.887 -1.185 1.00 0.00 O ATOM 0 H SER A 36 12.080 18.550 0.219 1.00 0.00 H new ATOM 0 HA SER A 36 11.965 15.892 1.553 1.00 0.00 H new ATOM 0 HB2 SER A 36 14.294 16.797 -0.144 1.00 0.00 H new ATOM 0 HB3 SER A 36 13.886 15.180 0.394 1.00 0.00 H new ATOM 0 HG SER A 36 13.384 15.513 -1.848 1.00 0.00 H new ATOM 570 N ASP A 37 13.482 16.713 3.356 1.00 0.00 N ATOM 571 CA ASP A 37 14.274 17.214 4.487 1.00 0.00 C ATOM 572 C ASP A 37 15.681 16.595 4.502 1.00 0.00 C ATOM 573 O ASP A 37 16.525 16.954 5.324 1.00 0.00 O ATOM 574 CB ASP A 37 13.524 16.947 5.800 1.00 0.00 C ATOM 575 CG ASP A 37 14.187 17.646 7.003 1.00 0.00 C ATOM 576 OD1 ASP A 37 14.370 18.884 6.965 1.00 0.00 O ATOM 577 OD2 ASP A 37 14.459 16.980 8.027 1.00 0.00 O ATOM 0 H ASP A 37 13.065 15.797 3.523 1.00 0.00 H new ATOM 0 HA ASP A 37 14.406 18.290 4.376 1.00 0.00 H new ATOM 0 HB2 ASP A 37 12.494 17.291 5.704 1.00 0.00 H new ATOM 0 HB3 ASP A 37 13.485 15.873 5.982 1.00 0.00 H new ATOM 582 N PHE A 38 15.945 15.682 3.560 1.00 0.00 N ATOM 583 CA PHE A 38 17.198 14.968 3.350 1.00 0.00 C ATOM 584 C PHE A 38 17.402 14.843 1.838 1.00 0.00 C ATOM 585 O PHE A 38 16.443 14.973 1.069 1.00 0.00 O ATOM 586 CB PHE A 38 17.123 13.561 3.973 1.00 0.00 C ATOM 587 CG PHE A 38 16.805 13.510 5.457 1.00 0.00 C ATOM 588 CD1 PHE A 38 15.474 13.642 5.894 1.00 0.00 C ATOM 589 CD2 PHE A 38 17.833 13.320 6.399 1.00 0.00 C ATOM 590 CE1 PHE A 38 15.172 13.606 7.265 1.00 0.00 C ATOM 591 CE2 PHE A 38 17.531 13.276 7.772 1.00 0.00 C ATOM 592 CZ PHE A 38 16.202 13.425 8.205 1.00 0.00 C ATOM 0 H PHE A 38 15.236 15.408 2.880 1.00 0.00 H new ATOM 0 HA PHE A 38 18.023 15.505 3.817 1.00 0.00 H new ATOM 0 HB2 PHE A 38 16.365 12.988 3.439 1.00 0.00 H new ATOM 0 HB3 PHE A 38 18.077 13.060 3.808 1.00 0.00 H new ATOM 0 HD1 PHE A 38 14.681 13.772 5.172 1.00 0.00 H new ATOM 0 HD2 PHE A 38 18.855 13.208 6.067 1.00 0.00 H new ATOM 0 HE1 PHE A 38 14.150 13.717 7.597 1.00 0.00 H new ATOM 0 HE2 PHE A 38 18.320 13.128 8.494 1.00 0.00 H new ATOM 0 HZ PHE A 38 15.972 13.400 9.260 1.00 0.00 H new ATOM 602 N ALA A 39 18.637 14.569 1.408 1.00 0.00 N ATOM 603 CA ALA A 39 18.929 14.252 0.019 1.00 0.00 C ATOM 604 C ALA A 39 18.195 12.968 -0.394 1.00 0.00 C ATOM 605 O ALA A 39 18.015 12.058 0.418 1.00 0.00 O ATOM 606 CB ALA A 39 20.442 14.099 -0.175 1.00 0.00 C ATOM 0 H ALA A 39 19.456 14.562 2.016 1.00 0.00 H new ATOM 0 HA ALA A 39 18.580 15.066 -0.616 1.00 0.00 H new ATOM 0 HB1 ALA A 39 20.653 13.862 -1.218 1.00 0.00 H new ATOM 0 HB2 ALA A 39 20.939 15.031 0.093 1.00 0.00 H new ATOM 0 HB3 ALA A 39 20.811 13.295 0.462 1.00 0.00 H new ATOM 612 N VAL A 40 17.835 12.876 -1.672 1.00 0.00 N ATOM 613 CA VAL A 40 17.214 11.714 -2.296 1.00 0.00 C ATOM 614 C VAL A 40 17.734 11.681 -3.735 1.00 0.00 C ATOM 615 O VAL A 40 17.884 12.737 -4.360 1.00 0.00 O ATOM 616 CB VAL A 40 15.671 11.800 -2.170 1.00 0.00 C ATOM 617 CG1 VAL A 40 15.057 13.135 -2.630 1.00 0.00 C ATOM 618 CG2 VAL A 40 14.973 10.654 -2.915 1.00 0.00 C ATOM 0 H VAL A 40 17.975 13.644 -2.328 1.00 0.00 H new ATOM 0 HA VAL A 40 17.473 10.774 -1.809 1.00 0.00 H new ATOM 0 HB VAL A 40 15.495 11.720 -1.097 1.00 0.00 H new ATOM 0 HG11 VAL A 40 13.975 13.100 -2.504 1.00 0.00 H new ATOM 0 HG12 VAL A 40 15.466 13.949 -2.031 1.00 0.00 H new ATOM 0 HG13 VAL A 40 15.295 13.302 -3.680 1.00 0.00 H new ATOM 0 HG21 VAL A 40 13.893 10.751 -2.802 1.00 0.00 H new ATOM 0 HG22 VAL A 40 15.232 10.696 -3.973 1.00 0.00 H new ATOM 0 HG23 VAL A 40 15.297 9.700 -2.500 1.00 0.00 H new ATOM 628 N LYS A 41 18.068 10.495 -4.246 1.00 0.00 N ATOM 629 CA LYS A 41 18.714 10.330 -5.546 1.00 0.00 C ATOM 630 C LYS A 41 18.270 9.027 -6.211 1.00 0.00 C ATOM 631 O LYS A 41 17.528 8.242 -5.625 1.00 0.00 O ATOM 632 CB LYS A 41 20.247 10.514 -5.422 1.00 0.00 C ATOM 633 CG LYS A 41 20.973 9.741 -4.305 1.00 0.00 C ATOM 634 CD LYS A 41 20.853 8.227 -4.474 1.00 0.00 C ATOM 635 CE LYS A 41 21.622 7.462 -3.396 1.00 0.00 C ATOM 636 NZ LYS A 41 21.236 6.032 -3.397 1.00 0.00 N ATOM 0 H LYS A 41 17.895 9.614 -3.763 1.00 0.00 H new ATOM 0 HA LYS A 41 18.388 11.118 -6.225 1.00 0.00 H new ATOM 0 HB2 LYS A 41 20.697 10.230 -6.373 1.00 0.00 H new ATOM 0 HB3 LYS A 41 20.447 11.576 -5.279 1.00 0.00 H new ATOM 0 HG2 LYS A 41 22.026 10.021 -4.298 1.00 0.00 H new ATOM 0 HG3 LYS A 41 20.560 10.030 -3.339 1.00 0.00 H new ATOM 0 HD2 LYS A 41 19.802 7.942 -4.439 1.00 0.00 H new ATOM 0 HD3 LYS A 41 21.228 7.942 -5.457 1.00 0.00 H new ATOM 0 HE2 LYS A 41 22.694 7.555 -3.571 1.00 0.00 H new ATOM 0 HE3 LYS A 41 21.419 7.898 -2.418 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 21.966 5.475 -2.909 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 20.327 5.917 -2.905 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 21.144 5.698 -4.378 1.00 0.00 H new ATOM 650 N VAL A 42 18.696 8.803 -7.450 1.00 0.00 N ATOM 651 CA VAL A 42 18.360 7.609 -8.216 1.00 0.00 C ATOM 652 C VAL A 42 18.783 6.327 -7.490 1.00 0.00 C ATOM 653 O VAL A 42 19.785 6.290 -6.772 1.00 0.00 O ATOM 654 CB VAL A 42 18.975 7.714 -9.625 1.00 0.00 C ATOM 655 CG1 VAL A 42 18.611 6.498 -10.489 1.00 0.00 C ATOM 656 CG2 VAL A 42 18.451 8.984 -10.303 1.00 0.00 C ATOM 0 H VAL A 42 19.293 9.456 -7.957 1.00 0.00 H new ATOM 0 HA VAL A 42 17.276 7.548 -8.317 1.00 0.00 H new ATOM 0 HB VAL A 42 20.060 7.749 -9.524 1.00 0.00 H new ATOM 0 HG11 VAL A 42 19.061 6.605 -11.476 1.00 0.00 H new ATOM 0 HG12 VAL A 42 18.986 5.590 -10.016 1.00 0.00 H new ATOM 0 HG13 VAL A 42 17.528 6.434 -10.589 1.00 0.00 H new ATOM 0 HG21 VAL A 42 18.881 9.067 -11.301 1.00 0.00 H new ATOM 0 HG22 VAL A 42 17.365 8.934 -10.379 1.00 0.00 H new ATOM 0 HG23 VAL A 42 18.734 9.855 -9.712 1.00 0.00 H new ATOM 666 N GLY A 43 18.023 5.259 -7.730 1.00 0.00 N ATOM 667 CA GLY A 43 18.213 3.971 -7.101 1.00 0.00 C ATOM 668 C GLY A 43 17.803 4.040 -5.636 1.00 0.00 C ATOM 669 O GLY A 43 18.436 3.365 -4.821 1.00 0.00 O ATOM 0 H GLY A 43 17.241 5.275 -8.385 1.00 0.00 H new ATOM 0 HA2 GLY A 43 17.622 3.215 -7.617 1.00 0.00 H new ATOM 0 HA3 GLY A 43 19.257 3.669 -7.181 1.00 0.00 H new ATOM 673 N ASP A 44 16.799 4.860 -5.284 1.00 0.00 N ATOM 674 CA ASP A 44 16.384 4.964 -3.863 1.00 0.00 C ATOM 675 C ASP A 44 15.012 4.340 -3.701 1.00 0.00 C ATOM 676 O ASP A 44 14.161 4.513 -4.568 1.00 0.00 O ATOM 677 CB ASP A 44 16.325 6.401 -3.302 1.00 0.00 C ATOM 678 CG ASP A 44 17.653 6.975 -2.789 1.00 0.00 C ATOM 679 OD1 ASP A 44 18.599 6.193 -2.533 1.00 0.00 O ATOM 680 OD2 ASP A 44 17.724 8.202 -2.551 1.00 0.00 O ATOM 0 H ASP A 44 16.272 5.444 -5.933 1.00 0.00 H new ATOM 0 HA ASP A 44 17.155 4.442 -3.297 1.00 0.00 H new ATOM 0 HB2 ASP A 44 15.944 7.060 -4.082 1.00 0.00 H new ATOM 0 HB3 ASP A 44 15.603 6.422 -2.486 1.00 0.00 H new ATOM 685 N LEU A 45 14.760 3.651 -2.587 1.00 0.00 N ATOM 686 CA LEU A 45 13.414 3.179 -2.280 1.00 0.00 C ATOM 687 C LEU A 45 12.603 4.336 -1.692 1.00 0.00 C ATOM 688 O LEU A 45 13.172 5.200 -1.019 1.00 0.00 O ATOM 689 CB LEU A 45 13.503 2.051 -1.241 1.00 0.00 C ATOM 690 CG LEU A 45 12.226 1.198 -1.107 1.00 0.00 C ATOM 691 CD1 LEU A 45 12.126 0.162 -2.234 1.00 0.00 C ATOM 692 CD2 LEU A 45 12.238 0.495 0.250 1.00 0.00 C ATOM 0 H LEU A 45 15.465 3.410 -1.890 1.00 0.00 H new ATOM 0 HA LEU A 45 12.934 2.811 -3.187 1.00 0.00 H new ATOM 0 HB2 LEU A 45 14.334 1.397 -1.504 1.00 0.00 H new ATOM 0 HB3 LEU A 45 13.736 2.487 -0.270 1.00 0.00 H new ATOM 0 HG LEU A 45 11.358 1.853 -1.182 1.00 0.00 H new ATOM 0 HD11 LEU A 45 11.215 -0.423 -2.111 1.00 0.00 H new ATOM 0 HD12 LEU A 45 12.102 0.673 -3.197 1.00 0.00 H new ATOM 0 HD13 LEU A 45 12.991 -0.501 -2.197 1.00 0.00 H new ATOM 0 HD21 LEU A 45 11.338 -0.111 0.354 1.00 0.00 H new ATOM 0 HD22 LEU A 45 13.117 -0.146 0.320 1.00 0.00 H new ATOM 0 HD23 LEU A 45 12.268 1.240 1.045 1.00 0.00 H new ATOM 704 N LEU A 46 11.282 4.301 -1.869 1.00 0.00 N ATOM 705 CA LEU A 46 10.311 5.148 -1.190 1.00 0.00 C ATOM 706 C LEU A 46 9.218 4.219 -0.694 1.00 0.00 C ATOM 707 O LEU A 46 8.609 3.507 -1.493 1.00 0.00 O ATOM 708 CB LEU A 46 9.668 6.197 -2.118 1.00 0.00 C ATOM 709 CG LEU A 46 10.629 7.215 -2.732 1.00 0.00 C ATOM 710 CD1 LEU A 46 9.870 8.176 -3.659 1.00 0.00 C ATOM 711 CD2 LEU A 46 11.345 8.040 -1.663 1.00 0.00 C ATOM 0 H LEU A 46 10.843 3.650 -2.520 1.00 0.00 H new ATOM 0 HA LEU A 46 10.815 5.698 -0.395 1.00 0.00 H new ATOM 0 HB2 LEU A 46 9.155 5.675 -2.926 1.00 0.00 H new ATOM 0 HB3 LEU A 46 8.907 6.737 -1.554 1.00 0.00 H new ATOM 0 HG LEU A 46 11.371 6.649 -3.296 1.00 0.00 H new ATOM 0 HD11 LEU A 46 10.568 8.895 -4.088 1.00 0.00 H new ATOM 0 HD12 LEU A 46 9.394 7.610 -4.460 1.00 0.00 H new ATOM 0 HD13 LEU A 46 9.108 8.707 -3.088 1.00 0.00 H new ATOM 0 HD21 LEU A 46 12.018 8.751 -2.142 1.00 0.00 H new ATOM 0 HD22 LEU A 46 10.609 8.581 -1.068 1.00 0.00 H new ATOM 0 HD23 LEU A 46 11.919 7.377 -1.015 1.00 0.00 H new ATOM 723 N SER A 47 8.919 4.277 0.595 1.00 0.00 N ATOM 724 CA SER A 47 7.828 3.509 1.196 1.00 0.00 C ATOM 725 C SER A 47 7.014 4.431 2.108 1.00 0.00 C ATOM 726 O SER A 47 7.610 5.276 2.781 1.00 0.00 O ATOM 727 CB SER A 47 8.367 2.297 1.966 1.00 0.00 C ATOM 728 OG SER A 47 9.299 1.580 1.185 1.00 0.00 O ATOM 0 H SER A 47 9.426 4.860 1.261 1.00 0.00 H new ATOM 0 HA SER A 47 7.180 3.123 0.409 1.00 0.00 H new ATOM 0 HB2 SER A 47 8.840 2.629 2.890 1.00 0.00 H new ATOM 0 HB3 SER A 47 7.542 1.643 2.247 1.00 0.00 H new ATOM 0 HG SER A 47 9.348 0.654 1.502 1.00 0.00 H new ATOM 734 N PRO A 48 5.674 4.332 2.108 1.00 0.00 N ATOM 735 CA PRO A 48 4.823 5.294 2.793 1.00 0.00 C ATOM 736 C PRO A 48 4.976 5.184 4.311 1.00 0.00 C ATOM 737 O PRO A 48 5.237 4.107 4.856 1.00 0.00 O ATOM 738 CB PRO A 48 3.394 4.987 2.334 1.00 0.00 C ATOM 739 CG PRO A 48 3.447 3.509 1.947 1.00 0.00 C ATOM 740 CD PRO A 48 4.867 3.339 1.413 1.00 0.00 C ATOM 0 HA PRO A 48 5.096 6.321 2.549 1.00 0.00 H new ATOM 0 HB2 PRO A 48 2.671 5.167 3.129 1.00 0.00 H new ATOM 0 HB3 PRO A 48 3.102 5.612 1.490 1.00 0.00 H new ATOM 0 HG2 PRO A 48 3.259 2.862 2.803 1.00 0.00 H new ATOM 0 HG3 PRO A 48 2.701 3.264 1.192 1.00 0.00 H new ATOM 0 HD2 PRO A 48 5.238 2.332 1.602 1.00 0.00 H new ATOM 0 HD3 PRO A 48 4.900 3.493 0.335 1.00 0.00 H new ATOM 748 N LEU A 49 4.749 6.309 4.986 1.00 0.00 N ATOM 749 CA LEU A 49 4.782 6.446 6.443 1.00 0.00 C ATOM 750 C LEU A 49 3.444 7.004 6.930 1.00 0.00 C ATOM 751 O LEU A 49 2.936 6.580 7.967 1.00 0.00 O ATOM 752 CB LEU A 49 5.927 7.389 6.859 1.00 0.00 C ATOM 753 CG LEU A 49 7.337 6.924 6.451 1.00 0.00 C ATOM 754 CD1 LEU A 49 8.347 8.020 6.799 1.00 0.00 C ATOM 755 CD2 LEU A 49 7.735 5.612 7.136 1.00 0.00 C ATOM 0 H LEU A 49 4.528 7.186 4.515 1.00 0.00 H new ATOM 0 HA LEU A 49 4.953 5.468 6.893 1.00 0.00 H new ATOM 0 HB2 LEU A 49 5.745 8.371 6.423 1.00 0.00 H new ATOM 0 HB3 LEU A 49 5.901 7.511 7.942 1.00 0.00 H new ATOM 0 HG LEU A 49 7.333 6.739 5.377 1.00 0.00 H new ATOM 0 HD11 LEU A 49 9.348 7.697 6.513 1.00 0.00 H new ATOM 0 HD12 LEU A 49 8.093 8.933 6.261 1.00 0.00 H new ATOM 0 HD13 LEU A 49 8.321 8.212 7.872 1.00 0.00 H new ATOM 0 HD21 LEU A 49 8.737 5.324 6.817 1.00 0.00 H new ATOM 0 HD22 LEU A 49 7.723 5.748 8.217 1.00 0.00 H new ATOM 0 HD23 LEU A 49 7.028 4.829 6.861 1.00 0.00 H new ATOM 767 N GLN A 50 2.866 7.922 6.154 1.00 0.00 N ATOM 768 CA GLN A 50 1.502 8.427 6.274 1.00 0.00 C ATOM 769 C GLN A 50 1.087 8.907 4.872 1.00 0.00 C ATOM 770 O GLN A 50 1.752 8.558 3.893 1.00 0.00 O ATOM 771 CB GLN A 50 1.378 9.482 7.398 1.00 0.00 C ATOM 772 CG GLN A 50 2.387 10.640 7.344 1.00 0.00 C ATOM 773 CD GLN A 50 2.130 11.703 8.418 1.00 0.00 C ATOM 774 OE1 GLN A 50 1.727 11.411 9.541 1.00 0.00 O ATOM 775 NE2 GLN A 50 2.357 12.970 8.104 1.00 0.00 N ATOM 0 H GLN A 50 3.369 8.357 5.380 1.00 0.00 H new ATOM 0 HA GLN A 50 0.804 7.653 6.592 1.00 0.00 H new ATOM 0 HB2 GLN A 50 0.372 9.900 7.368 1.00 0.00 H new ATOM 0 HB3 GLN A 50 1.485 8.977 8.358 1.00 0.00 H new ATOM 0 HG2 GLN A 50 3.395 10.243 7.466 1.00 0.00 H new ATOM 0 HG3 GLN A 50 2.345 11.107 6.360 1.00 0.00 H new ATOM 0 HE21 GLN A 50 2.692 13.212 7.171 1.00 0.00 H new ATOM 0 HE22 GLN A 50 2.197 13.703 8.795 1.00 0.00 H new ATOM 784 N ASN A 51 0.001 9.681 4.756 1.00 0.00 N ATOM 785 CA ASN A 51 -0.630 10.020 3.474 1.00 0.00 C ATOM 786 C ASN A 51 0.341 10.543 2.409 1.00 0.00 C ATOM 787 O ASN A 51 0.223 10.156 1.245 1.00 0.00 O ATOM 788 CB ASN A 51 -1.757 11.041 3.690 1.00 0.00 C ATOM 789 CG ASN A 51 -2.393 11.443 2.360 1.00 0.00 C ATOM 790 OD1 ASN A 51 -3.198 10.707 1.798 1.00 0.00 O ATOM 791 ND2 ASN A 51 -2.042 12.601 1.822 1.00 0.00 N ATOM 0 H ASN A 51 -0.470 10.095 5.560 1.00 0.00 H new ATOM 0 HA ASN A 51 -1.029 9.082 3.088 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -2.516 10.617 4.347 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -1.361 11.925 4.190 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -2.442 12.891 0.930 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -1.372 13.203 2.300 1.00 0.00 H new ATOM 798 N ALA A 52 1.291 11.406 2.794 1.00 0.00 N ATOM 799 CA ALA A 52 2.231 12.038 1.898 1.00 0.00 C ATOM 800 C ALA A 52 3.685 11.823 2.320 1.00 0.00 C ATOM 801 O ALA A 52 4.546 11.987 1.464 1.00 0.00 O ATOM 802 CB ALA A 52 1.906 13.535 1.802 1.00 0.00 C ATOM 0 H ALA A 52 1.419 11.682 3.768 1.00 0.00 H new ATOM 0 HA ALA A 52 2.127 11.571 0.918 1.00 0.00 H new ATOM 0 HB1 ALA A 52 2.612 14.018 1.127 1.00 0.00 H new ATOM 0 HB2 ALA A 52 0.893 13.664 1.420 1.00 0.00 H new ATOM 0 HB3 ALA A 52 1.981 13.988 2.791 1.00 0.00 H new ATOM 808 N LEU A 53 4.006 11.486 3.579 1.00 0.00 N ATOM 809 CA LEU A 53 5.393 11.193 3.934 1.00 0.00 C ATOM 810 C LEU A 53 5.750 9.800 3.446 1.00 0.00 C ATOM 811 O LEU A 53 5.003 8.847 3.684 1.00 0.00 O ATOM 812 CB LEU A 53 5.698 11.258 5.441 1.00 0.00 C ATOM 813 CG LEU A 53 5.827 12.674 6.033 1.00 0.00 C ATOM 814 CD1 LEU A 53 6.005 12.575 7.551 1.00 0.00 C ATOM 815 CD2 LEU A 53 7.030 13.435 5.462 1.00 0.00 C ATOM 0 H LEU A 53 3.339 11.412 4.347 1.00 0.00 H new ATOM 0 HA LEU A 53 5.988 11.971 3.455 1.00 0.00 H new ATOM 0 HB2 LEU A 53 4.909 10.730 5.976 1.00 0.00 H new ATOM 0 HB3 LEU A 53 6.626 10.719 5.629 1.00 0.00 H new ATOM 0 HG LEU A 53 4.918 13.217 5.772 1.00 0.00 H new ATOM 0 HD11 LEU A 53 6.097 13.576 7.973 1.00 0.00 H new ATOM 0 HD12 LEU A 53 5.140 12.075 7.987 1.00 0.00 H new ATOM 0 HD13 LEU A 53 6.905 12.003 7.775 1.00 0.00 H new ATOM 0 HD21 LEU A 53 7.079 14.428 5.910 1.00 0.00 H new ATOM 0 HD22 LEU A 53 7.946 12.890 5.688 1.00 0.00 H new ATOM 0 HD23 LEU A 53 6.921 13.529 4.382 1.00 0.00 H new ATOM 827 N TYR A 54 6.940 9.687 2.873 1.00 0.00 N ATOM 828 CA TYR A 54 7.586 8.439 2.522 1.00 0.00 C ATOM 829 C TYR A 54 8.991 8.485 3.119 1.00 0.00 C ATOM 830 O TYR A 54 9.576 9.562 3.286 1.00 0.00 O ATOM 831 CB TYR A 54 7.645 8.259 0.991 1.00 0.00 C ATOM 832 CG TYR A 54 6.320 7.933 0.315 1.00 0.00 C ATOM 833 CD1 TYR A 54 5.292 8.893 0.264 1.00 0.00 C ATOM 834 CD2 TYR A 54 6.106 6.671 -0.276 1.00 0.00 C ATOM 835 CE1 TYR A 54 4.044 8.587 -0.302 1.00 0.00 C ATOM 836 CE2 TYR A 54 4.867 6.358 -0.861 1.00 0.00 C ATOM 837 CZ TYR A 54 3.824 7.310 -0.866 1.00 0.00 C ATOM 838 OH TYR A 54 2.619 6.991 -1.419 1.00 0.00 O ATOM 0 H TYR A 54 7.503 10.502 2.631 1.00 0.00 H new ATOM 0 HA TYR A 54 7.025 7.591 2.915 1.00 0.00 H new ATOM 0 HB2 TYR A 54 8.042 9.174 0.551 1.00 0.00 H new ATOM 0 HB3 TYR A 54 8.354 7.463 0.764 1.00 0.00 H new ATOM 0 HD1 TYR A 54 5.466 9.880 0.666 1.00 0.00 H new ATOM 0 HD2 TYR A 54 6.900 5.939 -0.279 1.00 0.00 H new ATOM 0 HE1 TYR A 54 3.255 9.325 -0.306 1.00 0.00 H new ATOM 0 HE2 TYR A 54 4.712 5.387 -1.308 1.00 0.00 H new ATOM 0 HH TYR A 54 2.648 6.072 -1.759 1.00 0.00 H new ATOM 848 N CYS A 55 9.524 7.317 3.466 1.00 0.00 N ATOM 849 CA CYS A 55 10.931 7.179 3.805 1.00 0.00 C ATOM 850 C CYS A 55 11.778 7.401 2.543 1.00 0.00 C ATOM 851 O CYS A 55 11.253 7.328 1.430 1.00 0.00 O ATOM 852 CB CYS A 55 11.198 5.790 4.403 1.00 0.00 C ATOM 853 SG CYS A 55 10.929 4.454 3.209 1.00 0.00 S ATOM 0 H CYS A 55 8.994 6.447 3.519 1.00 0.00 H new ATOM 0 HA CYS A 55 11.203 7.925 4.552 1.00 0.00 H new ATOM 0 HB2 CYS A 55 12.225 5.746 4.766 1.00 0.00 H new ATOM 0 HB3 CYS A 55 10.548 5.638 5.265 1.00 0.00 H new ATOM 0 HG CYS A 55 11.173 3.310 3.776 1.00 0.00 H new ATOM 859 N ILE A 56 13.088 7.586 2.704 1.00 0.00 N ATOM 860 CA ILE A 56 14.050 7.588 1.606 1.00 0.00 C ATOM 861 C ILE A 56 14.986 6.399 1.804 1.00 0.00 C ATOM 862 O ILE A 56 15.302 6.007 2.931 1.00 0.00 O ATOM 863 CB ILE A 56 14.849 8.916 1.562 1.00 0.00 C ATOM 864 CG1 ILE A 56 13.924 10.146 1.413 1.00 0.00 C ATOM 865 CG2 ILE A 56 15.897 8.920 0.420 1.00 0.00 C ATOM 866 CD1 ILE A 56 14.594 11.429 1.908 1.00 0.00 C ATOM 0 H ILE A 56 13.516 7.741 3.617 1.00 0.00 H new ATOM 0 HA ILE A 56 13.526 7.503 0.654 1.00 0.00 H new ATOM 0 HB ILE A 56 15.368 8.985 2.518 1.00 0.00 H new ATOM 0 HG12 ILE A 56 13.643 10.264 0.366 1.00 0.00 H new ATOM 0 HG13 ILE A 56 13.004 9.978 1.973 1.00 0.00 H new ATOM 0 HG21 ILE A 56 16.435 9.868 0.423 1.00 0.00 H new ATOM 0 HG22 ILE A 56 16.602 8.102 0.570 1.00 0.00 H new ATOM 0 HG23 ILE A 56 15.392 8.793 -0.538 1.00 0.00 H new ATOM 0 HD11 ILE A 56 13.909 12.268 1.785 1.00 0.00 H new ATOM 0 HD12 ILE A 56 14.851 11.322 2.962 1.00 0.00 H new ATOM 0 HD13 ILE A 56 15.500 11.613 1.330 1.00 0.00 H new ATOM 878 N ASN A 57 15.483 5.885 0.679 1.00 0.00 N ATOM 879 CA ASN A 57 16.569 4.926 0.527 1.00 0.00 C ATOM 880 C ASN A 57 16.207 3.525 0.986 1.00 0.00 C ATOM 881 O ASN A 57 16.200 2.617 0.158 1.00 0.00 O ATOM 882 CB ASN A 57 17.853 5.398 1.231 1.00 0.00 C ATOM 883 CG ASN A 57 19.000 4.501 0.805 1.00 0.00 C ATOM 884 OD1 ASN A 57 19.431 3.611 1.530 1.00 0.00 O ATOM 885 ND2 ASN A 57 19.471 4.688 -0.409 1.00 0.00 N ATOM 0 H ASN A 57 15.100 6.155 -0.227 1.00 0.00 H new ATOM 0 HA ASN A 57 16.754 4.874 -0.546 1.00 0.00 H new ATOM 0 HB2 ASN A 57 18.067 6.435 0.971 1.00 0.00 H new ATOM 0 HB3 ASN A 57 17.726 5.361 2.313 1.00 0.00 H new ATOM 0 HD21 ASN A 57 20.212 4.085 -0.767 1.00 0.00 H new ATOM 0 HD22 ASN A 57 19.095 5.436 -0.992 1.00 0.00 H new ATOM 892 N ARG A 58 15.922 3.377 2.281 1.00 0.00 N ATOM 893 CA ARG A 58 15.555 2.144 2.967 1.00 0.00 C ATOM 894 C ARG A 58 15.075 2.401 4.401 1.00 0.00 C ATOM 895 O ARG A 58 14.683 1.436 5.059 1.00 0.00 O ATOM 896 CB ARG A 58 16.759 1.169 2.994 1.00 0.00 C ATOM 897 CG ARG A 58 17.886 1.585 3.963 1.00 0.00 C ATOM 898 CD ARG A 58 19.127 0.696 3.819 1.00 0.00 C ATOM 899 NE ARG A 58 19.872 1.010 2.588 1.00 0.00 N ATOM 900 CZ ARG A 58 20.773 0.230 1.983 1.00 0.00 C ATOM 901 NH1 ARG A 58 21.071 -0.973 2.467 1.00 0.00 N ATOM 902 NH2 ARG A 58 21.378 0.670 0.885 1.00 0.00 N ATOM 0 H ARG A 58 15.944 4.172 2.919 1.00 0.00 H new ATOM 0 HA ARG A 58 14.729 1.701 2.411 1.00 0.00 H new ATOM 0 HB2 ARG A 58 16.403 0.177 3.272 1.00 0.00 H new ATOM 0 HB3 ARG A 58 17.171 1.089 1.988 1.00 0.00 H new ATOM 0 HG2 ARG A 58 18.160 2.623 3.775 1.00 0.00 H new ATOM 0 HG3 ARG A 58 17.520 1.533 4.988 1.00 0.00 H new ATOM 0 HD2 ARG A 58 19.776 0.832 4.684 1.00 0.00 H new ATOM 0 HD3 ARG A 58 18.827 -0.352 3.807 1.00 0.00 H new ATOM 0 HE ARG A 58 19.681 1.913 2.154 1.00 0.00 H new ATOM 0 HH11 ARG A 58 20.610 -1.312 3.311 1.00 0.00 H new ATOM 0 HH12 ARG A 58 21.761 -1.557 1.994 1.00 0.00 H new ATOM 0 HH21 ARG A 58 21.153 1.593 0.514 1.00 0.00 H new ATOM 0 HH22 ARG A 58 22.068 0.085 0.413 1.00 0.00 H new ATOM 916 N GLU A 59 15.133 3.637 4.926 1.00 0.00 N ATOM 917 CA GLU A 59 14.942 3.881 6.355 1.00 0.00 C ATOM 918 C GLU A 59 14.102 5.125 6.623 1.00 0.00 C ATOM 919 O GLU A 59 14.268 6.177 6.006 1.00 0.00 O ATOM 920 CB GLU A 59 16.301 3.954 7.073 1.00 0.00 C ATOM 921 CG GLU A 59 17.200 5.133 6.652 1.00 0.00 C ATOM 922 CD GLU A 59 18.631 4.974 7.196 1.00 0.00 C ATOM 923 OE1 GLU A 59 18.859 5.184 8.409 1.00 0.00 O ATOM 924 OE2 GLU A 59 19.548 4.638 6.411 1.00 0.00 O ATOM 0 H GLU A 59 15.311 4.478 4.377 1.00 0.00 H new ATOM 0 HA GLU A 59 14.382 3.038 6.760 1.00 0.00 H new ATOM 0 HB2 GLU A 59 16.124 4.017 8.147 1.00 0.00 H new ATOM 0 HB3 GLU A 59 16.840 3.024 6.893 1.00 0.00 H new ATOM 0 HG2 GLU A 59 17.228 5.200 5.564 1.00 0.00 H new ATOM 0 HG3 GLU A 59 16.772 6.067 7.018 1.00 0.00 H new ATOM 931 N LYS A 60 13.190 4.985 7.584 1.00 0.00 N ATOM 932 CA LYS A 60 12.167 5.980 7.906 1.00 0.00 C ATOM 933 C LYS A 60 12.714 7.235 8.576 1.00 0.00 C ATOM 934 O LYS A 60 11.995 8.226 8.665 1.00 0.00 O ATOM 935 CB LYS A 60 11.028 5.344 8.723 1.00 0.00 C ATOM 936 CG LYS A 60 11.428 4.888 10.137 1.00 0.00 C ATOM 937 CD LYS A 60 10.224 4.246 10.844 1.00 0.00 C ATOM 938 CE LYS A 60 10.565 3.720 12.248 1.00 0.00 C ATOM 939 NZ LYS A 60 10.822 4.803 13.233 1.00 0.00 N ATOM 0 H LYS A 60 13.141 4.155 8.175 1.00 0.00 H new ATOM 0 HA LYS A 60 11.763 6.323 6.953 1.00 0.00 H new ATOM 0 HB2 LYS A 60 10.213 6.063 8.805 1.00 0.00 H new ATOM 0 HB3 LYS A 60 10.642 4.485 8.175 1.00 0.00 H new ATOM 0 HG2 LYS A 60 12.249 4.173 10.079 1.00 0.00 H new ATOM 0 HG3 LYS A 60 11.787 5.740 10.714 1.00 0.00 H new ATOM 0 HD2 LYS A 60 9.421 4.979 10.921 1.00 0.00 H new ATOM 0 HD3 LYS A 60 9.847 3.424 10.235 1.00 0.00 H new ATOM 0 HE2 LYS A 60 9.743 3.100 12.606 1.00 0.00 H new ATOM 0 HE3 LYS A 60 11.444 3.079 12.185 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 11.046 4.385 14.158 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 11.624 5.382 12.911 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 9.976 5.402 13.319 1.00 0.00 H new ATOM 953 N LEU A 61 13.961 7.214 9.055 1.00 0.00 N ATOM 954 CA LEU A 61 14.600 8.378 9.638 1.00 0.00 C ATOM 955 C LEU A 61 14.846 9.458 8.585 1.00 0.00 C ATOM 956 O LEU A 61 14.939 10.628 8.945 1.00 0.00 O ATOM 957 CB LEU A 61 15.924 7.997 10.326 1.00 0.00 C ATOM 958 CG LEU A 61 15.750 6.966 11.463 1.00 0.00 C ATOM 959 CD1 LEU A 61 15.996 5.523 10.998 1.00 0.00 C ATOM 960 CD2 LEU A 61 16.705 7.272 12.622 1.00 0.00 C ATOM 0 H LEU A 61 14.551 6.382 9.045 1.00 0.00 H new ATOM 0 HA LEU A 61 13.922 8.779 10.391 1.00 0.00 H new ATOM 0 HB2 LEU A 61 16.609 7.593 9.581 1.00 0.00 H new ATOM 0 HB3 LEU A 61 16.387 8.897 10.730 1.00 0.00 H new ATOM 0 HG LEU A 61 14.714 7.050 11.790 1.00 0.00 H new ATOM 0 HD11 LEU A 61 15.860 4.842 11.838 1.00 0.00 H new ATOM 0 HD12 LEU A 61 15.289 5.270 10.208 1.00 0.00 H new ATOM 0 HD13 LEU A 61 17.014 5.432 10.618 1.00 0.00 H new ATOM 0 HD21 LEU A 61 16.566 6.534 13.412 1.00 0.00 H new ATOM 0 HD22 LEU A 61 17.734 7.233 12.265 1.00 0.00 H new ATOM 0 HD23 LEU A 61 16.495 8.267 13.014 1.00 0.00 H new ATOM 972 N HIS A 62 14.948 9.089 7.303 1.00 0.00 N ATOM 973 CA HIS A 62 15.125 10.025 6.205 1.00 0.00 C ATOM 974 C HIS A 62 13.769 10.136 5.519 1.00 0.00 C ATOM 975 O HIS A 62 13.216 9.112 5.119 1.00 0.00 O ATOM 976 CB HIS A 62 16.195 9.491 5.237 1.00 0.00 C ATOM 977 CG HIS A 62 17.551 9.209 5.848 1.00 0.00 C ATOM 978 ND1 HIS A 62 18.545 8.446 5.273 1.00 0.00 N ATOM 979 CD2 HIS A 62 18.031 9.635 7.060 1.00 0.00 C ATOM 980 CE1 HIS A 62 19.590 8.413 6.116 1.00 0.00 C ATOM 981 NE2 HIS A 62 19.326 9.127 7.226 1.00 0.00 N ATOM 0 H HIS A 62 14.908 8.115 7.003 1.00 0.00 H new ATOM 0 HA HIS A 62 15.462 11.003 6.550 1.00 0.00 H new ATOM 0 HB2 HIS A 62 15.823 8.572 4.784 1.00 0.00 H new ATOM 0 HB3 HIS A 62 16.323 10.214 4.431 1.00 0.00 H new ATOM 0 HD2 HIS A 62 17.501 10.256 7.766 1.00 0.00 H new ATOM 0 HE1 HIS A 62 20.514 7.886 5.929 1.00 0.00 H new ATOM 0 HE2 HIS A 62 19.943 9.269 8.025 1.00 0.00 H new ATOM 989 N THR A 63 13.221 11.342 5.378 1.00 0.00 N ATOM 990 CA THR A 63 11.843 11.530 4.955 1.00 0.00 C ATOM 991 C THR A 63 11.718 12.534 3.807 1.00 0.00 C ATOM 992 O THR A 63 12.513 13.470 3.658 1.00 0.00 O ATOM 993 CB THR A 63 11.019 11.963 6.181 1.00 0.00 C ATOM 994 OG1 THR A 63 11.640 13.059 6.832 1.00 0.00 O ATOM 995 CG2 THR A 63 10.908 10.825 7.196 1.00 0.00 C ATOM 0 H THR A 63 13.723 12.212 5.555 1.00 0.00 H new ATOM 0 HA THR A 63 11.458 10.589 4.562 1.00 0.00 H new ATOM 0 HB THR A 63 10.028 12.241 5.822 1.00 0.00 H new ATOM 0 HG1 THR A 63 11.104 13.324 7.609 1.00 0.00 H new ATOM 0 HG21 THR A 63 10.321 11.157 8.052 1.00 0.00 H new ATOM 0 HG22 THR A 63 10.419 9.969 6.731 1.00 0.00 H new ATOM 0 HG23 THR A 63 11.905 10.536 7.529 1.00 0.00 H new ATOM 1003 N VAL A 64 10.675 12.330 3.007 1.00 0.00 N ATOM 1004 CA VAL A 64 10.285 13.151 1.872 1.00 0.00 C ATOM 1005 C VAL A 64 8.753 13.192 1.873 1.00 0.00 C ATOM 1006 O VAL A 64 8.122 12.225 2.304 1.00 0.00 O ATOM 1007 CB VAL A 64 10.915 12.550 0.595 1.00 0.00 C ATOM 1008 CG1 VAL A 64 10.588 11.069 0.352 1.00 0.00 C ATOM 1009 CG2 VAL A 64 10.538 13.320 -0.666 1.00 0.00 C ATOM 0 H VAL A 64 10.045 11.540 3.145 1.00 0.00 H new ATOM 0 HA VAL A 64 10.644 14.179 1.922 1.00 0.00 H new ATOM 0 HB VAL A 64 11.984 12.637 0.791 1.00 0.00 H new ATOM 0 HG11 VAL A 64 11.073 10.735 -0.565 1.00 0.00 H new ATOM 0 HG12 VAL A 64 10.950 10.474 1.191 1.00 0.00 H new ATOM 0 HG13 VAL A 64 9.509 10.945 0.258 1.00 0.00 H new ATOM 0 HG21 VAL A 64 11.008 12.853 -1.532 1.00 0.00 H new ATOM 0 HG22 VAL A 64 9.455 13.307 -0.790 1.00 0.00 H new ATOM 0 HG23 VAL A 64 10.881 14.351 -0.579 1.00 0.00 H new ATOM 1019 N LYS A 65 8.143 14.291 1.423 1.00 0.00 N ATOM 1020 CA LYS A 65 6.702 14.516 1.488 1.00 0.00 C ATOM 1021 C LYS A 65 6.185 14.765 0.082 1.00 0.00 C ATOM 1022 O LYS A 65 6.717 15.620 -0.623 1.00 0.00 O ATOM 1023 CB LYS A 65 6.404 15.714 2.405 1.00 0.00 C ATOM 1024 CG LYS A 65 4.910 15.803 2.749 1.00 0.00 C ATOM 1025 CD LYS A 65 4.628 16.996 3.670 1.00 0.00 C ATOM 1026 CE LYS A 65 3.126 17.085 3.978 1.00 0.00 C ATOM 1027 NZ LYS A 65 2.800 18.239 4.854 1.00 0.00 N ATOM 0 H LYS A 65 8.651 15.065 0.994 1.00 0.00 H new ATOM 0 HA LYS A 65 6.200 13.642 1.903 1.00 0.00 H new ATOM 0 HB2 LYS A 65 6.985 15.624 3.323 1.00 0.00 H new ATOM 0 HB3 LYS A 65 6.721 16.635 1.916 1.00 0.00 H new ATOM 0 HG2 LYS A 65 4.327 15.901 1.833 1.00 0.00 H new ATOM 0 HG3 LYS A 65 4.589 14.881 3.234 1.00 0.00 H new ATOM 0 HD2 LYS A 65 5.191 16.890 4.597 1.00 0.00 H new ATOM 0 HD3 LYS A 65 4.965 17.918 3.196 1.00 0.00 H new ATOM 0 HE2 LYS A 65 2.570 17.171 3.044 1.00 0.00 H new ATOM 0 HE3 LYS A 65 2.800 16.163 4.459 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 1.776 18.259 5.035 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 3.309 18.145 5.756 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 3.086 19.122 4.385 1.00 0.00 H new ATOM 1041 N VAL A 66 5.165 14.023 -0.329 1.00 0.00 N ATOM 1042 CA VAL A 66 4.531 14.155 -1.633 1.00 0.00 C ATOM 1043 C VAL A 66 3.801 15.498 -1.700 1.00 0.00 C ATOM 1044 O VAL A 66 3.189 15.928 -0.720 1.00 0.00 O ATOM 1045 CB VAL A 66 3.609 12.937 -1.873 1.00 0.00 C ATOM 1046 CG1 VAL A 66 2.744 13.084 -3.135 1.00 0.00 C ATOM 1047 CG2 VAL A 66 4.465 11.671 -2.042 1.00 0.00 C ATOM 0 H VAL A 66 4.746 13.295 0.250 1.00 0.00 H new ATOM 0 HA VAL A 66 5.267 14.156 -2.437 1.00 0.00 H new ATOM 0 HB VAL A 66 2.950 12.870 -1.007 1.00 0.00 H new ATOM 0 HG11 VAL A 66 2.118 12.200 -3.252 1.00 0.00 H new ATOM 0 HG12 VAL A 66 2.111 13.967 -3.042 1.00 0.00 H new ATOM 0 HG13 VAL A 66 3.389 13.190 -4.008 1.00 0.00 H new ATOM 0 HG21 VAL A 66 3.815 10.812 -2.211 1.00 0.00 H new ATOM 0 HG22 VAL A 66 5.133 11.794 -2.895 1.00 0.00 H new ATOM 0 HG23 VAL A 66 5.055 11.508 -1.140 1.00 0.00 H new ATOM 1057 N LEU A 67 3.837 16.132 -2.876 1.00 0.00 N ATOM 1058 CA LEU A 67 3.112 17.365 -3.169 1.00 0.00 C ATOM 1059 C LEU A 67 2.120 17.120 -4.307 1.00 0.00 C ATOM 1060 O LEU A 67 0.980 17.582 -4.222 1.00 0.00 O ATOM 1061 CB LEU A 67 4.099 18.485 -3.542 1.00 0.00 C ATOM 1062 CG LEU A 67 5.153 18.793 -2.461 1.00 0.00 C ATOM 1063 CD1 LEU A 67 6.176 19.775 -3.030 1.00 0.00 C ATOM 1064 CD2 LEU A 67 4.553 19.373 -1.176 1.00 0.00 C ATOM 0 H LEU A 67 4.384 15.792 -3.666 1.00 0.00 H new ATOM 0 HA LEU A 67 2.560 17.677 -2.283 1.00 0.00 H new ATOM 0 HB2 LEU A 67 4.612 18.208 -4.463 1.00 0.00 H new ATOM 0 HB3 LEU A 67 3.535 19.394 -3.752 1.00 0.00 H new ATOM 0 HG LEU A 67 5.621 17.847 -2.190 1.00 0.00 H new ATOM 0 HD11 LEU A 67 6.926 19.999 -2.272 1.00 0.00 H new ATOM 0 HD12 LEU A 67 6.661 19.332 -3.900 1.00 0.00 H new ATOM 0 HD13 LEU A 67 5.672 20.695 -3.325 1.00 0.00 H new ATOM 0 HD21 LEU A 67 5.350 19.567 -0.458 1.00 0.00 H new ATOM 0 HD22 LEU A 67 4.036 20.305 -1.404 1.00 0.00 H new ATOM 0 HD23 LEU A 67 3.846 18.661 -0.751 1.00 0.00 H new ATOM 1076 N SER A 68 2.512 16.350 -5.326 1.00 0.00 N ATOM 1077 CA SER A 68 1.655 15.903 -6.424 1.00 0.00 C ATOM 1078 C SER A 68 2.388 14.798 -7.195 1.00 0.00 C ATOM 1079 O SER A 68 3.608 14.661 -7.064 1.00 0.00 O ATOM 1080 CB SER A 68 1.289 17.088 -7.342 1.00 0.00 C ATOM 1081 OG SER A 68 2.394 17.938 -7.617 1.00 0.00 O ATOM 0 H SER A 68 3.470 16.009 -5.411 1.00 0.00 H new ATOM 0 HA SER A 68 0.720 15.503 -6.031 1.00 0.00 H new ATOM 0 HB2 SER A 68 0.891 16.704 -8.281 1.00 0.00 H new ATOM 0 HB3 SER A 68 0.496 17.672 -6.874 1.00 0.00 H new ATOM 0 HG SER A 68 2.106 18.669 -8.203 1.00 0.00 H new ATOM 1087 N ALA A 69 1.675 14.009 -8.006 1.00 0.00 N ATOM 1088 CA ALA A 69 2.279 13.018 -8.892 1.00 0.00 C ATOM 1089 C ALA A 69 1.360 12.734 -10.083 1.00 0.00 C ATOM 1090 O ALA A 69 0.147 12.958 -10.001 1.00 0.00 O ATOM 1091 CB ALA A 69 2.569 11.727 -8.113 1.00 0.00 C ATOM 0 H ALA A 69 0.657 14.043 -8.064 1.00 0.00 H new ATOM 0 HA ALA A 69 3.219 13.414 -9.275 1.00 0.00 H new ATOM 0 HB1 ALA A 69 3.019 10.993 -8.781 1.00 0.00 H new ATOM 0 HB2 ALA A 69 3.256 11.942 -7.294 1.00 0.00 H new ATOM 0 HB3 ALA A 69 1.638 11.328 -7.710 1.00 0.00 H new ATOM 1097 N SER A 70 1.941 12.215 -11.165 1.00 0.00 N ATOM 1098 CA SER A 70 1.266 11.927 -12.433 1.00 0.00 C ATOM 1099 C SER A 70 1.963 10.757 -13.136 1.00 0.00 C ATOM 1100 O SER A 70 3.147 10.518 -12.901 1.00 0.00 O ATOM 1101 CB SER A 70 1.333 13.165 -13.348 1.00 0.00 C ATOM 1102 OG SER A 70 0.879 14.350 -12.707 1.00 0.00 O ATOM 0 H SER A 70 2.932 11.974 -11.184 1.00 0.00 H new ATOM 0 HA SER A 70 0.226 11.670 -12.230 1.00 0.00 H new ATOM 0 HB2 SER A 70 2.361 13.309 -13.682 1.00 0.00 H new ATOM 0 HB3 SER A 70 0.731 12.986 -14.239 1.00 0.00 H new ATOM 0 HG SER A 70 0.944 15.104 -13.330 1.00 0.00 H new ATOM 1108 N SER A 71 1.262 10.043 -14.021 1.00 0.00 N ATOM 1109 CA SER A 71 1.852 9.020 -14.885 1.00 0.00 C ATOM 1110 C SER A 71 3.000 9.618 -15.713 1.00 0.00 C ATOM 1111 O SER A 71 2.939 10.790 -16.100 1.00 0.00 O ATOM 1112 CB SER A 71 0.761 8.439 -15.794 1.00 0.00 C ATOM 1113 OG SER A 71 -0.377 8.061 -15.031 1.00 0.00 O ATOM 0 H SER A 71 0.258 10.161 -14.158 1.00 0.00 H new ATOM 0 HA SER A 71 2.267 8.218 -14.274 1.00 0.00 H new ATOM 0 HB2 SER A 71 0.474 9.176 -16.544 1.00 0.00 H new ATOM 0 HB3 SER A 71 1.150 7.573 -16.330 1.00 0.00 H new ATOM 0 HG SER A 71 -1.063 7.694 -15.627 1.00 0.00 H new ATOM 1119 N TYR A 72 4.056 8.837 -15.973 1.00 0.00 N ATOM 1120 CA TYR A 72 5.228 9.354 -16.668 1.00 0.00 C ATOM 1121 C TYR A 72 4.904 9.700 -18.121 1.00 0.00 C ATOM 1122 O TYR A 72 4.307 8.894 -18.841 1.00 0.00 O ATOM 1123 CB TYR A 72 6.401 8.363 -16.616 1.00 0.00 C ATOM 1124 CG TYR A 72 7.554 8.741 -17.535 1.00 0.00 C ATOM 1125 CD1 TYR A 72 8.292 9.917 -17.298 1.00 0.00 C ATOM 1126 CD2 TYR A 72 7.849 7.957 -18.669 1.00 0.00 C ATOM 1127 CE1 TYR A 72 9.317 10.306 -18.177 1.00 0.00 C ATOM 1128 CE2 TYR A 72 8.882 8.335 -19.548 1.00 0.00 C ATOM 1129 CZ TYR A 72 9.625 9.513 -19.302 1.00 0.00 C ATOM 1130 OH TYR A 72 10.645 9.891 -20.124 1.00 0.00 O ATOM 0 H TYR A 72 4.118 7.853 -15.712 1.00 0.00 H new ATOM 0 HA TYR A 72 5.526 10.265 -16.150 1.00 0.00 H new ATOM 0 HB2 TYR A 72 6.768 8.300 -15.592 1.00 0.00 H new ATOM 0 HB3 TYR A 72 6.041 7.371 -16.887 1.00 0.00 H new ATOM 0 HD1 TYR A 72 8.068 10.525 -16.434 1.00 0.00 H new ATOM 0 HD2 TYR A 72 7.279 7.061 -18.865 1.00 0.00 H new ATOM 0 HE1 TYR A 72 9.870 11.215 -17.991 1.00 0.00 H new ATOM 0 HE2 TYR A 72 9.107 7.725 -20.410 1.00 0.00 H new ATOM 0 HH TYR A 72 10.735 9.243 -20.853 1.00 0.00 H new ATOM 1140 N SER A 73 5.385 10.870 -18.537 1.00 0.00 N ATOM 1141 CA SER A 73 5.460 11.334 -19.910 1.00 0.00 C ATOM 1142 C SER A 73 6.701 12.236 -19.972 1.00 0.00 C ATOM 1143 O SER A 73 6.933 12.979 -19.015 1.00 0.00 O ATOM 1144 CB SER A 73 4.199 12.119 -20.295 1.00 0.00 C ATOM 1145 OG SER A 73 3.028 11.321 -20.230 1.00 0.00 O ATOM 0 H SER A 73 5.754 11.557 -17.880 1.00 0.00 H new ATOM 0 HA SER A 73 5.530 10.501 -20.610 1.00 0.00 H new ATOM 0 HB2 SER A 73 4.090 12.976 -19.630 1.00 0.00 H new ATOM 0 HB3 SER A 73 4.313 12.512 -21.305 1.00 0.00 H new ATOM 0 HG SER A 73 2.250 11.861 -20.481 1.00 0.00 H new ATOM 1151 N PRO A 74 7.503 12.209 -21.051 1.00 0.00 N ATOM 1152 CA PRO A 74 8.778 12.920 -21.092 1.00 0.00 C ATOM 1153 C PRO A 74 8.602 14.434 -20.946 1.00 0.00 C ATOM 1154 O PRO A 74 9.322 15.076 -20.182 1.00 0.00 O ATOM 1155 CB PRO A 74 9.421 12.558 -22.436 1.00 0.00 C ATOM 1156 CG PRO A 74 8.291 11.958 -23.274 1.00 0.00 C ATOM 1157 CD PRO A 74 7.324 11.392 -22.240 1.00 0.00 C ATOM 0 HA PRO A 74 9.410 12.624 -20.255 1.00 0.00 H new ATOM 0 HB2 PRO A 74 9.845 13.438 -22.919 1.00 0.00 H new ATOM 0 HB3 PRO A 74 10.234 11.845 -22.304 1.00 0.00 H new ATOM 0 HG2 PRO A 74 7.812 12.713 -23.897 1.00 0.00 H new ATOM 0 HG3 PRO A 74 8.660 11.180 -23.943 1.00 0.00 H new ATOM 0 HD2 PRO A 74 6.295 11.440 -22.597 1.00 0.00 H new ATOM 0 HD3 PRO A 74 7.541 10.344 -22.032 1.00 0.00 H new ATOM 1165 N ASP A 75 7.632 15.003 -21.663 1.00 0.00 N ATOM 1166 CA ASP A 75 7.355 16.434 -21.602 1.00 0.00 C ATOM 1167 C ASP A 75 6.893 16.842 -20.204 1.00 0.00 C ATOM 1168 O ASP A 75 7.369 17.839 -19.671 1.00 0.00 O ATOM 1169 CB ASP A 75 6.302 16.824 -22.641 1.00 0.00 C ATOM 1170 CG ASP A 75 5.997 18.330 -22.573 1.00 0.00 C ATOM 1171 OD1 ASP A 75 6.855 19.142 -22.985 1.00 0.00 O ATOM 1172 OD2 ASP A 75 4.879 18.708 -22.157 1.00 0.00 O ATOM 0 H ASP A 75 7.022 14.487 -22.297 1.00 0.00 H new ATOM 0 HA ASP A 75 8.280 16.964 -21.826 1.00 0.00 H new ATOM 0 HB2 ASP A 75 6.656 16.565 -23.639 1.00 0.00 H new ATOM 0 HB3 ASP A 75 5.388 16.255 -22.470 1.00 0.00 H new ATOM 1177 N GLU A 76 6.016 16.047 -19.580 1.00 0.00 N ATOM 1178 CA GLU A 76 5.499 16.322 -18.241 1.00 0.00 C ATOM 1179 C GLU A 76 6.605 16.209 -17.189 1.00 0.00 C ATOM 1180 O GLU A 76 6.587 16.946 -16.201 1.00 0.00 O ATOM 1181 CB GLU A 76 4.356 15.354 -17.886 1.00 0.00 C ATOM 1182 CG GLU A 76 3.091 15.528 -18.741 1.00 0.00 C ATOM 1183 CD GLU A 76 2.270 16.766 -18.337 1.00 0.00 C ATOM 1184 OE1 GLU A 76 2.696 17.909 -18.616 1.00 0.00 O ATOM 1185 OE2 GLU A 76 1.176 16.603 -17.749 1.00 0.00 O ATOM 0 H GLU A 76 5.645 15.192 -19.994 1.00 0.00 H new ATOM 0 HA GLU A 76 5.117 17.343 -18.243 1.00 0.00 H new ATOM 0 HB2 GLU A 76 4.716 14.331 -17.994 1.00 0.00 H new ATOM 0 HB3 GLU A 76 4.093 15.490 -16.837 1.00 0.00 H new ATOM 0 HG2 GLU A 76 3.375 15.611 -19.790 1.00 0.00 H new ATOM 0 HG3 GLU A 76 2.469 14.638 -18.648 1.00 0.00 H new ATOM 1192 N TRP A 77 7.554 15.290 -17.382 1.00 0.00 N ATOM 1193 CA TRP A 77 8.712 15.127 -16.521 1.00 0.00 C ATOM 1194 C TRP A 77 9.533 16.410 -16.561 1.00 0.00 C ATOM 1195 O TRP A 77 9.740 17.032 -15.518 1.00 0.00 O ATOM 1196 CB TRP A 77 9.502 13.883 -16.969 1.00 0.00 C ATOM 1197 CG TRP A 77 10.937 13.800 -16.551 1.00 0.00 C ATOM 1198 CD1 TRP A 77 11.394 13.910 -15.288 1.00 0.00 C ATOM 1199 CD2 TRP A 77 12.126 13.634 -17.386 1.00 0.00 C ATOM 1200 NE1 TRP A 77 12.771 13.845 -15.278 1.00 0.00 N ATOM 1201 CE2 TRP A 77 13.281 13.705 -16.550 1.00 0.00 C ATOM 1202 CE3 TRP A 77 12.350 13.449 -18.767 1.00 0.00 C ATOM 1203 CZ2 TRP A 77 14.586 13.627 -17.063 1.00 0.00 C ATOM 1204 CZ3 TRP A 77 13.654 13.365 -19.293 1.00 0.00 C ATOM 1205 CH2 TRP A 77 14.772 13.462 -18.446 1.00 0.00 C ATOM 0 H TRP A 77 7.532 14.629 -18.158 1.00 0.00 H new ATOM 0 HA TRP A 77 8.422 14.960 -15.484 1.00 0.00 H new ATOM 0 HB2 TRP A 77 8.987 13.000 -16.589 1.00 0.00 H new ATOM 0 HB3 TRP A 77 9.463 13.831 -18.057 1.00 0.00 H new ATOM 0 HD1 TRP A 77 10.773 14.031 -14.413 1.00 0.00 H new ATOM 0 HE1 TRP A 77 13.341 13.894 -14.434 1.00 0.00 H new ATOM 0 HE3 TRP A 77 11.504 13.370 -19.434 1.00 0.00 H new ATOM 0 HZ2 TRP A 77 15.437 13.693 -16.402 1.00 0.00 H new ATOM 0 HZ3 TRP A 77 13.796 13.225 -20.354 1.00 0.00 H new ATOM 0 HH2 TRP A 77 15.770 13.410 -18.857 1.00 0.00 H new ATOM 1216 N GLU A 78 9.948 16.852 -17.749 1.00 0.00 N ATOM 1217 CA GLU A 78 10.810 18.021 -17.864 1.00 0.00 C ATOM 1218 C GLU A 78 10.081 19.294 -17.433 1.00 0.00 C ATOM 1219 O GLU A 78 10.677 20.146 -16.776 1.00 0.00 O ATOM 1220 CB GLU A 78 11.383 18.138 -19.283 1.00 0.00 C ATOM 1221 CG GLU A 78 12.345 16.979 -19.584 1.00 0.00 C ATOM 1222 CD GLU A 78 13.081 17.184 -20.920 1.00 0.00 C ATOM 1223 OE1 GLU A 78 12.535 16.836 -21.992 1.00 0.00 O ATOM 1224 OE2 GLU A 78 14.225 17.694 -20.914 1.00 0.00 O ATOM 0 H GLU A 78 9.701 16.418 -18.639 1.00 0.00 H new ATOM 0 HA GLU A 78 11.651 17.892 -17.182 1.00 0.00 H new ATOM 0 HB2 GLU A 78 10.570 18.138 -20.009 1.00 0.00 H new ATOM 0 HB3 GLU A 78 11.907 19.088 -19.391 1.00 0.00 H new ATOM 0 HG2 GLU A 78 13.073 16.891 -18.777 1.00 0.00 H new ATOM 0 HG3 GLU A 78 11.788 16.042 -19.615 1.00 0.00 H new ATOM 1231 N ARG A 79 8.782 19.401 -17.724 1.00 0.00 N ATOM 1232 CA ARG A 79 7.928 20.494 -17.273 1.00 0.00 C ATOM 1233 C ARG A 79 7.990 20.628 -15.756 1.00 0.00 C ATOM 1234 O ARG A 79 8.209 21.729 -15.257 1.00 0.00 O ATOM 1235 CB ARG A 79 6.505 20.196 -17.759 1.00 0.00 C ATOM 1236 CG ARG A 79 5.437 21.212 -17.335 1.00 0.00 C ATOM 1237 CD ARG A 79 4.061 20.654 -17.712 1.00 0.00 C ATOM 1238 NE ARG A 79 2.979 21.606 -17.410 1.00 0.00 N ATOM 1239 CZ ARG A 79 1.672 21.365 -17.577 1.00 0.00 C ATOM 1240 NH1 ARG A 79 1.249 20.187 -18.023 1.00 0.00 N ATOM 1241 NH2 ARG A 79 0.787 22.316 -17.291 1.00 0.00 N ATOM 0 H ARG A 79 8.287 18.713 -18.292 1.00 0.00 H new ATOM 0 HA ARG A 79 8.264 21.446 -17.684 1.00 0.00 H new ATOM 0 HB2 ARG A 79 6.516 20.139 -18.847 1.00 0.00 H new ATOM 0 HB3 ARG A 79 6.212 19.212 -17.391 1.00 0.00 H new ATOM 0 HG2 ARG A 79 5.491 21.394 -16.262 1.00 0.00 H new ATOM 0 HG3 ARG A 79 5.606 22.169 -17.829 1.00 0.00 H new ATOM 0 HD2 ARG A 79 4.046 20.413 -18.775 1.00 0.00 H new ATOM 0 HD3 ARG A 79 3.887 19.723 -17.172 1.00 0.00 H new ATOM 0 HE ARG A 79 3.246 22.520 -17.045 1.00 0.00 H new ATOM 0 HH11 ARG A 79 1.922 19.453 -18.243 1.00 0.00 H new ATOM 0 HH12 ARG A 79 0.251 20.017 -18.146 1.00 0.00 H new ATOM 0 HH21 ARG A 79 1.105 23.222 -16.947 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -0.210 22.139 -17.416 1.00 0.00 H new ATOM 1255 N GLN A 80 7.803 19.533 -15.017 1.00 0.00 N ATOM 1256 CA GLN A 80 7.831 19.578 -13.564 1.00 0.00 C ATOM 1257 C GLN A 80 9.252 19.888 -13.085 1.00 0.00 C ATOM 1258 O GLN A 80 9.442 20.763 -12.240 1.00 0.00 O ATOM 1259 CB GLN A 80 7.282 18.259 -12.989 1.00 0.00 C ATOM 1260 CG GLN A 80 5.758 18.186 -13.186 1.00 0.00 C ATOM 1261 CD GLN A 80 5.182 16.795 -12.932 1.00 0.00 C ATOM 1262 OE1 GLN A 80 4.865 16.421 -11.806 1.00 0.00 O ATOM 1263 NE2 GLN A 80 5.013 16.016 -13.988 1.00 0.00 N ATOM 0 H GLN A 80 7.631 18.606 -15.406 1.00 0.00 H new ATOM 0 HA GLN A 80 7.186 20.377 -13.199 1.00 0.00 H new ATOM 0 HB2 GLN A 80 7.760 17.412 -13.481 1.00 0.00 H new ATOM 0 HB3 GLN A 80 7.523 18.188 -11.928 1.00 0.00 H new ATOM 0 HG2 GLN A 80 5.277 18.899 -12.516 1.00 0.00 H new ATOM 0 HG3 GLN A 80 5.515 18.492 -14.204 1.00 0.00 H new ATOM 0 HE21 GLN A 80 5.283 16.347 -14.914 1.00 0.00 H new ATOM 0 HE22 GLN A 80 4.612 15.085 -13.876 1.00 0.00 H new ATOM 1272 N CYS A 81 10.264 19.224 -13.647 1.00 0.00 N ATOM 1273 CA CYS A 81 11.636 19.338 -13.165 1.00 0.00 C ATOM 1274 C CYS A 81 12.217 20.734 -13.394 1.00 0.00 C ATOM 1275 O CYS A 81 12.909 21.249 -12.519 1.00 0.00 O ATOM 1276 CB CYS A 81 12.510 18.269 -13.821 1.00 0.00 C ATOM 1277 SG CYS A 81 11.901 16.634 -13.315 1.00 0.00 S ATOM 0 H CYS A 81 10.154 18.597 -14.444 1.00 0.00 H new ATOM 0 HA CYS A 81 11.623 19.177 -12.087 1.00 0.00 H new ATOM 0 HB2 CYS A 81 12.477 18.366 -14.906 1.00 0.00 H new ATOM 0 HB3 CYS A 81 13.551 18.395 -13.522 1.00 0.00 H new ATOM 0 HG CYS A 81 11.919 15.829 -14.336 1.00 0.00 H new