USER MOD reduce.3.24.130724 H: found=0, std=0, add=594, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 592 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 NoAdj-H: A 143 HIS HD1 : A 143 HIS ND1 : A 201 ZNZN :(H bumps) USER MOD Set 1.1: A 177 GLN : amide:sc= -1.54 K(o=-0.73,f=-1.8) USER MOD Set 1.2: A 180 LYS NZ :NH3+ 155:sc= 0.81 (180deg=0.471) USER MOD Set 2.1: A 147 MET CE :methyl 180:sc= -0.141 (180deg=-0.139) USER MOD Set 2.2: A 164 GLN : amide:sc= -2.15! X(o=-2.3!,f=-2.3) USER MOD Single : A 109 SER OG : rot 35:sc= 0.067 USER MOD Single : A 113 SER OG : rot 180:sc= 0 USER MOD Single : A 114 TYR OH : rot 180:sc= 0 USER MOD Single : A 116 THR OG1 : rot 180:sc= 0 USER MOD Single : A 119 THR OG1 : rot 180:sc= 0 USER MOD Single : A 126 THR OG1 : rot 180:sc= 0 USER MOD Single : A 127 HIS : no HE2:sc= -0.847 K(o=-0.85,f=-3.3!) USER MOD Single : A 131 TYR OH : rot 180:sc= 0 USER MOD Single : A 132 MET CE :methyl 148:sc= -0.128 (180deg=-1.82) USER MOD Single : A 134 CYS SG : rot 32:sc= 0.132 USER MOD Single : A 137 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 139 SER OG : rot -160:sc= 0 USER MOD Single : A 142 GLN : amide:sc= -1.68 K(o=-1.7,f=-5!) USER MOD Single : A 152 GLN : amide:sc= 0 X(o=0,f=-0.25) USER MOD Single : A 153 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 157 THR OG1 : rot 180:sc= 0 USER MOD Single : A 158 TYR OH : rot 100:sc=-0.00504 USER MOD Single : A 167 ASN : amide:sc= -0.184 K(o=-0.18,f=-2.9!) USER MOD Single : A 170 LYS NZ :NH3+ 173:sc= 0.403 (180deg=0.375) USER MOD Single : A 183 ASN : amide:sc= 0.71 K(o=0.71,f=0) USER MOD Single : A 184 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 185 SER OG : rot 37:sc= 0.226 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 109 -8.370 -18.010 -12.193 1.00 0.00 N ATOM 2 CA SER A 109 -9.220 -16.831 -11.935 1.00 0.00 C ATOM 3 C SER A 109 -8.857 -16.196 -10.579 1.00 0.00 C ATOM 4 O SER A 109 -9.307 -16.664 -9.518 1.00 0.00 O ATOM 5 CB SER A 109 -10.708 -17.244 -11.975 1.00 0.00 C ATOM 6 OG SER A 109 -11.049 -17.815 -13.233 1.00 0.00 O ATOM 0 HA SER A 109 -9.047 -16.085 -12.710 1.00 0.00 H new ATOM 0 HB2 SER A 109 -10.911 -17.962 -11.180 1.00 0.00 H new ATOM 0 HB3 SER A 109 -11.335 -16.373 -11.786 1.00 0.00 H new ATOM 0 HG SER A 109 -10.285 -18.322 -13.580 1.00 0.00 H new ATOM 12 N GLU A 110 -8.001 -15.159 -10.612 1.00 0.00 N ATOM 13 CA GLU A 110 -7.632 -14.377 -9.419 1.00 0.00 C ATOM 14 C GLU A 110 -8.617 -13.205 -9.250 1.00 0.00 C ATOM 15 O GLU A 110 -8.353 -12.082 -9.692 1.00 0.00 O ATOM 16 CB GLU A 110 -6.167 -13.866 -9.520 1.00 0.00 C ATOM 17 CG GLU A 110 -5.097 -14.971 -9.606 1.00 0.00 C ATOM 18 CD GLU A 110 -3.670 -14.405 -9.741 1.00 0.00 C ATOM 19 OE1 GLU A 110 -3.038 -14.104 -8.698 1.00 0.00 O ATOM 20 OE2 GLU A 110 -3.180 -14.250 -10.883 1.00 0.00 O ATOM 0 H GLU A 110 -7.546 -14.840 -11.467 1.00 0.00 H new ATOM 0 HA GLU A 110 -7.692 -15.019 -8.540 1.00 0.00 H new ATOM 0 HB2 GLU A 110 -6.080 -13.228 -10.399 1.00 0.00 H new ATOM 0 HB3 GLU A 110 -5.955 -13.242 -8.652 1.00 0.00 H new ATOM 0 HG2 GLU A 110 -5.153 -15.596 -8.715 1.00 0.00 H new ATOM 0 HG3 GLU A 110 -5.311 -15.613 -10.460 1.00 0.00 H new ATOM 27 N ASP A 111 -9.791 -13.508 -8.677 1.00 0.00 N ATOM 28 CA ASP A 111 -10.845 -12.506 -8.403 1.00 0.00 C ATOM 29 C ASP A 111 -10.523 -11.704 -7.133 1.00 0.00 C ATOM 30 O ASP A 111 -10.945 -10.548 -6.993 1.00 0.00 O ATOM 31 CB ASP A 111 -12.225 -13.204 -8.266 1.00 0.00 C ATOM 32 CG ASP A 111 -12.694 -13.849 -9.581 1.00 0.00 C ATOM 33 OD1 ASP A 111 -12.171 -14.926 -9.949 1.00 0.00 O ATOM 34 OD2 ASP A 111 -13.575 -13.278 -10.266 1.00 0.00 O ATOM 0 H ASP A 111 -10.042 -14.454 -8.388 1.00 0.00 H new ATOM 0 HA ASP A 111 -10.883 -11.811 -9.242 1.00 0.00 H new ATOM 0 HB2 ASP A 111 -12.166 -13.968 -7.491 1.00 0.00 H new ATOM 0 HB3 ASP A 111 -12.966 -12.475 -7.939 1.00 0.00 H new ATOM 39 N GLY A 112 -9.777 -12.343 -6.214 1.00 0.00 N ATOM 40 CA GLY A 112 -9.390 -11.735 -4.949 1.00 0.00 C ATOM 41 C GLY A 112 -8.215 -12.446 -4.301 1.00 0.00 C ATOM 42 O GLY A 112 -7.749 -13.483 -4.803 1.00 0.00 O ATOM 0 H GLY A 112 -9.431 -13.295 -6.337 1.00 0.00 H new ATOM 0 HA2 GLY A 112 -9.132 -10.689 -5.116 1.00 0.00 H new ATOM 0 HA3 GLY A 112 -10.240 -11.748 -4.267 1.00 0.00 H new ATOM 46 N SER A 113 -7.741 -11.885 -3.175 1.00 0.00 N ATOM 47 CA SER A 113 -6.591 -12.416 -2.431 1.00 0.00 C ATOM 48 C SER A 113 -6.994 -13.656 -1.602 1.00 0.00 C ATOM 49 O SER A 113 -7.670 -13.539 -0.567 1.00 0.00 O ATOM 50 CB SER A 113 -5.988 -11.312 -1.533 1.00 0.00 C ATOM 51 OG SER A 113 -5.559 -10.201 -2.312 1.00 0.00 O ATOM 0 H SER A 113 -8.147 -11.048 -2.756 1.00 0.00 H new ATOM 0 HA SER A 113 -5.830 -12.734 -3.143 1.00 0.00 H new ATOM 0 HB2 SER A 113 -6.730 -10.985 -0.804 1.00 0.00 H new ATOM 0 HB3 SER A 113 -5.145 -11.715 -0.971 1.00 0.00 H new ATOM 0 HG SER A 113 -5.183 -9.514 -1.723 1.00 0.00 H new ATOM 57 N TYR A 114 -6.612 -14.840 -2.114 1.00 0.00 N ATOM 58 CA TYR A 114 -6.742 -16.130 -1.409 1.00 0.00 C ATOM 59 C TYR A 114 -5.664 -16.250 -0.304 1.00 0.00 C ATOM 60 O TYR A 114 -4.791 -15.374 -0.174 1.00 0.00 O ATOM 61 CB TYR A 114 -6.629 -17.307 -2.430 1.00 0.00 C ATOM 62 CG TYR A 114 -5.317 -17.324 -3.257 1.00 0.00 C ATOM 63 CD1 TYR A 114 -4.150 -17.910 -2.753 1.00 0.00 C ATOM 64 CD2 TYR A 114 -5.245 -16.735 -4.524 1.00 0.00 C ATOM 65 CE1 TYR A 114 -2.977 -17.919 -3.480 1.00 0.00 C ATOM 66 CE2 TYR A 114 -4.070 -16.745 -5.256 1.00 0.00 C ATOM 67 CZ TYR A 114 -2.936 -17.331 -4.723 1.00 0.00 C ATOM 68 OH TYR A 114 -1.762 -17.349 -5.447 1.00 0.00 O ATOM 0 H TYR A 114 -6.198 -14.930 -3.042 1.00 0.00 H new ATOM 0 HA TYR A 114 -7.721 -16.179 -0.932 1.00 0.00 H new ATOM 0 HB2 TYR A 114 -6.713 -18.249 -1.888 1.00 0.00 H new ATOM 0 HB3 TYR A 114 -7.474 -17.257 -3.116 1.00 0.00 H new ATOM 0 HD1 TYR A 114 -4.168 -18.365 -1.774 1.00 0.00 H new ATOM 0 HD2 TYR A 114 -6.123 -16.263 -4.939 1.00 0.00 H new ATOM 0 HE1 TYR A 114 -2.093 -18.387 -3.074 1.00 0.00 H new ATOM 0 HE2 TYR A 114 -4.039 -16.297 -6.238 1.00 0.00 H new ATOM 0 HH TYR A 114 -1.899 -16.893 -6.304 1.00 0.00 H new ATOM 78 N GLY A 115 -5.724 -17.341 0.480 1.00 0.00 N ATOM 79 CA GLY A 115 -4.754 -17.594 1.557 1.00 0.00 C ATOM 80 C GLY A 115 -5.160 -16.902 2.860 1.00 0.00 C ATOM 81 O GLY A 115 -5.196 -17.530 3.927 1.00 0.00 O ATOM 0 H GLY A 115 -6.438 -18.064 0.386 1.00 0.00 H new ATOM 0 HA2 GLY A 115 -4.670 -18.668 1.726 1.00 0.00 H new ATOM 0 HA3 GLY A 115 -3.769 -17.242 1.250 1.00 0.00 H new ATOM 85 N THR A 116 -5.467 -15.596 2.750 1.00 0.00 N ATOM 86 CA THR A 116 -5.967 -14.769 3.857 1.00 0.00 C ATOM 87 C THR A 116 -7.398 -15.185 4.266 1.00 0.00 C ATOM 88 O THR A 116 -8.250 -15.439 3.399 1.00 0.00 O ATOM 89 CB THR A 116 -5.949 -13.255 3.447 1.00 0.00 C ATOM 90 OG1 THR A 116 -6.720 -13.053 2.244 1.00 0.00 O ATOM 91 CG2 THR A 116 -4.515 -12.741 3.219 1.00 0.00 C ATOM 0 H THR A 116 -5.372 -15.081 1.875 1.00 0.00 H new ATOM 0 HA THR A 116 -5.311 -14.921 4.714 1.00 0.00 H new ATOM 0 HB THR A 116 -6.389 -12.693 4.271 1.00 0.00 H new ATOM 0 HG1 THR A 116 -6.702 -12.104 2.000 1.00 0.00 H new ATOM 0 HG21 THR A 116 -4.546 -11.689 2.937 1.00 0.00 H new ATOM 0 HG22 THR A 116 -3.938 -12.854 4.137 1.00 0.00 H new ATOM 0 HG23 THR A 116 -4.045 -13.317 2.422 1.00 0.00 H new ATOM 99 N ASP A 117 -7.639 -15.260 5.590 1.00 0.00 N ATOM 100 CA ASP A 117 -8.963 -15.569 6.151 1.00 0.00 C ATOM 101 C ASP A 117 -9.870 -14.330 6.055 1.00 0.00 C ATOM 102 O ASP A 117 -9.939 -13.516 6.987 1.00 0.00 O ATOM 103 CB ASP A 117 -8.848 -16.042 7.627 1.00 0.00 C ATOM 104 CG ASP A 117 -8.085 -17.366 7.784 1.00 0.00 C ATOM 105 OD1 ASP A 117 -8.714 -18.440 7.704 1.00 0.00 O ATOM 106 OD2 ASP A 117 -6.855 -17.337 7.994 1.00 0.00 O ATOM 0 H ASP A 117 -6.920 -15.108 6.297 1.00 0.00 H new ATOM 0 HA ASP A 117 -9.403 -16.382 5.573 1.00 0.00 H new ATOM 0 HB2 ASP A 117 -8.346 -15.270 8.210 1.00 0.00 H new ATOM 0 HB3 ASP A 117 -9.849 -16.156 8.044 1.00 0.00 H new ATOM 111 N VAL A 118 -10.507 -14.166 4.895 1.00 0.00 N ATOM 112 CA VAL A 118 -11.466 -13.081 4.635 1.00 0.00 C ATOM 113 C VAL A 118 -12.866 -13.686 4.491 1.00 0.00 C ATOM 114 O VAL A 118 -13.028 -14.724 3.851 1.00 0.00 O ATOM 115 CB VAL A 118 -11.075 -12.255 3.342 1.00 0.00 C ATOM 116 CG1 VAL A 118 -10.824 -13.167 2.109 1.00 0.00 C ATOM 117 CG2 VAL A 118 -12.135 -11.165 3.021 1.00 0.00 C ATOM 0 H VAL A 118 -10.373 -14.788 4.098 1.00 0.00 H new ATOM 0 HA VAL A 118 -11.449 -12.384 5.473 1.00 0.00 H new ATOM 0 HB VAL A 118 -10.133 -11.755 3.567 1.00 0.00 H new ATOM 0 HG11 VAL A 118 -10.559 -12.552 1.249 1.00 0.00 H new ATOM 0 HG12 VAL A 118 -10.008 -13.857 2.327 1.00 0.00 H new ATOM 0 HG13 VAL A 118 -11.728 -13.733 1.885 1.00 0.00 H new ATOM 0 HG21 VAL A 118 -11.835 -10.617 2.128 1.00 0.00 H new ATOM 0 HG22 VAL A 118 -13.102 -11.637 2.849 1.00 0.00 H new ATOM 0 HG23 VAL A 118 -12.213 -10.475 3.861 1.00 0.00 H new ATOM 127 N THR A 119 -13.878 -13.062 5.113 1.00 0.00 N ATOM 128 CA THR A 119 -15.265 -13.523 4.988 1.00 0.00 C ATOM 129 C THR A 119 -15.881 -12.984 3.682 1.00 0.00 C ATOM 130 O THR A 119 -16.513 -11.917 3.649 1.00 0.00 O ATOM 131 CB THR A 119 -16.129 -13.116 6.227 1.00 0.00 C ATOM 132 OG1 THR A 119 -15.470 -13.546 7.433 1.00 0.00 O ATOM 133 CG2 THR A 119 -17.541 -13.742 6.173 1.00 0.00 C ATOM 0 H THR A 119 -13.760 -12.240 5.705 1.00 0.00 H new ATOM 0 HA THR A 119 -15.257 -14.612 4.953 1.00 0.00 H new ATOM 0 HB THR A 119 -16.237 -12.031 6.215 1.00 0.00 H new ATOM 0 HG1 THR A 119 -16.010 -13.290 8.210 1.00 0.00 H new ATOM 0 HG21 THR A 119 -18.109 -13.435 7.051 1.00 0.00 H new ATOM 0 HG22 THR A 119 -18.054 -13.405 5.273 1.00 0.00 H new ATOM 0 HG23 THR A 119 -17.457 -14.829 6.157 1.00 0.00 H new ATOM 141 N ARG A 120 -15.640 -13.727 2.596 1.00 0.00 N ATOM 142 CA ARG A 120 -16.260 -13.473 1.287 1.00 0.00 C ATOM 143 C ARG A 120 -17.420 -14.462 1.138 1.00 0.00 C ATOM 144 O ARG A 120 -17.310 -15.515 0.483 1.00 0.00 O ATOM 145 CB ARG A 120 -15.205 -13.604 0.141 1.00 0.00 C ATOM 146 CG ARG A 120 -15.744 -13.461 -1.305 1.00 0.00 C ATOM 147 CD ARG A 120 -16.291 -12.056 -1.627 1.00 0.00 C ATOM 148 NE ARG A 120 -15.236 -11.020 -1.602 1.00 0.00 N ATOM 149 CZ ARG A 120 -15.290 -9.836 -2.241 1.00 0.00 C ATOM 150 NH1 ARG A 120 -16.354 -9.489 -2.956 1.00 0.00 N ATOM 151 NH2 ARG A 120 -14.267 -9.002 -2.156 1.00 0.00 N ATOM 0 H ARG A 120 -15.006 -14.526 2.599 1.00 0.00 H new ATOM 0 HA ARG A 120 -16.643 -12.455 1.220 1.00 0.00 H new ATOM 0 HB2 ARG A 120 -14.435 -12.848 0.296 1.00 0.00 H new ATOM 0 HB3 ARG A 120 -14.720 -14.576 0.231 1.00 0.00 H new ATOM 0 HG2 ARG A 120 -14.944 -13.699 -2.006 1.00 0.00 H new ATOM 0 HG3 ARG A 120 -16.535 -14.194 -1.462 1.00 0.00 H new ATOM 0 HD2 ARG A 120 -16.760 -12.069 -2.611 1.00 0.00 H new ATOM 0 HD3 ARG A 120 -17.067 -11.798 -0.907 1.00 0.00 H new ATOM 0 HE ARG A 120 -14.398 -11.219 -1.055 1.00 0.00 H new ATOM 0 HH11 ARG A 120 -17.149 -10.124 -3.028 1.00 0.00 H new ATOM 0 HH12 ARG A 120 -16.376 -8.588 -3.433 1.00 0.00 H new ATOM 0 HH21 ARG A 120 -13.445 -9.258 -1.609 1.00 0.00 H new ATOM 0 HH22 ARG A 120 -14.300 -8.103 -2.637 1.00 0.00 H new ATOM 165 N CYS A 121 -18.501 -14.162 1.868 1.00 0.00 N ATOM 166 CA CYS A 121 -19.758 -14.910 1.773 1.00 0.00 C ATOM 167 C CYS A 121 -20.627 -14.312 0.657 1.00 0.00 C ATOM 168 O CYS A 121 -20.647 -13.090 0.486 1.00 0.00 O ATOM 169 CB CYS A 121 -20.491 -14.954 3.133 1.00 0.00 C ATOM 170 SG CYS A 121 -21.632 -16.367 3.275 1.00 0.00 S ATOM 0 H CYS A 121 -18.528 -13.395 2.540 1.00 0.00 H new ATOM 0 HA CYS A 121 -19.541 -15.946 1.514 1.00 0.00 H new ATOM 0 HB2 CYS A 121 -19.755 -15.005 3.936 1.00 0.00 H new ATOM 0 HB3 CYS A 121 -21.049 -14.027 3.270 1.00 0.00 H new ATOM 175 N ILE A 122 -21.361 -15.172 -0.085 1.00 0.00 N ATOM 176 CA ILE A 122 -22.186 -14.731 -1.245 1.00 0.00 C ATOM 177 C ILE A 122 -23.377 -13.831 -0.825 1.00 0.00 C ATOM 178 O ILE A 122 -23.985 -13.170 -1.671 1.00 0.00 O ATOM 179 CB ILE A 122 -22.701 -15.939 -2.133 1.00 0.00 C ATOM 180 CG1 ILE A 122 -23.877 -16.747 -1.471 1.00 0.00 C ATOM 181 CG2 ILE A 122 -21.535 -16.878 -2.536 1.00 0.00 C ATOM 182 CD1 ILE A 122 -23.524 -17.561 -0.243 1.00 0.00 C ATOM 0 H ILE A 122 -21.402 -16.175 0.094 1.00 0.00 H new ATOM 0 HA ILE A 122 -21.511 -14.133 -1.857 1.00 0.00 H new ATOM 0 HB ILE A 122 -23.114 -15.491 -3.037 1.00 0.00 H new ATOM 0 HG12 ILE A 122 -24.665 -16.044 -1.201 1.00 0.00 H new ATOM 0 HG13 ILE A 122 -24.293 -17.421 -2.220 1.00 0.00 H new ATOM 0 HG21 ILE A 122 -21.920 -17.696 -3.144 1.00 0.00 H new ATOM 0 HG22 ILE A 122 -20.797 -16.316 -3.109 1.00 0.00 H new ATOM 0 HG23 ILE A 122 -21.067 -17.282 -1.639 1.00 0.00 H new ATOM 0 HD11 ILE A 122 -24.414 -18.072 0.123 1.00 0.00 H new ATOM 0 HD12 ILE A 122 -22.763 -18.297 -0.501 1.00 0.00 H new ATOM 0 HD13 ILE A 122 -23.140 -16.900 0.534 1.00 0.00 H new ATOM 194 N CYS A 123 -23.702 -13.809 0.492 1.00 0.00 N ATOM 195 CA CYS A 123 -24.774 -12.943 1.042 1.00 0.00 C ATOM 196 C CYS A 123 -24.270 -11.512 1.342 1.00 0.00 C ATOM 197 O CYS A 123 -25.067 -10.642 1.712 1.00 0.00 O ATOM 198 CB CYS A 123 -25.410 -13.576 2.310 1.00 0.00 C ATOM 199 SG CYS A 123 -24.306 -13.740 3.747 1.00 0.00 S ATOM 0 H CYS A 123 -23.235 -14.383 1.194 1.00 0.00 H new ATOM 0 HA CYS A 123 -25.542 -12.864 0.273 1.00 0.00 H new ATOM 0 HB2 CYS A 123 -26.270 -12.973 2.602 1.00 0.00 H new ATOM 0 HB3 CYS A 123 -25.787 -14.565 2.050 1.00 0.00 H new ATOM 204 N GLY A 124 -22.942 -11.286 1.180 1.00 0.00 N ATOM 205 CA GLY A 124 -22.314 -9.977 1.446 1.00 0.00 C ATOM 206 C GLY A 124 -22.366 -9.568 2.920 1.00 0.00 C ATOM 207 O GLY A 124 -22.308 -8.379 3.258 1.00 0.00 O ATOM 0 H GLY A 124 -22.286 -12.001 0.864 1.00 0.00 H new ATOM 0 HA2 GLY A 124 -21.274 -10.008 1.121 1.00 0.00 H new ATOM 0 HA3 GLY A 124 -22.812 -9.215 0.847 1.00 0.00 H new ATOM 211 N PHE A 125 -22.477 -10.579 3.795 1.00 0.00 N ATOM 212 CA PHE A 125 -22.657 -10.409 5.246 1.00 0.00 C ATOM 213 C PHE A 125 -21.669 -11.327 5.998 1.00 0.00 C ATOM 214 O PHE A 125 -21.470 -12.493 5.605 1.00 0.00 O ATOM 215 CB PHE A 125 -24.149 -10.735 5.590 1.00 0.00 C ATOM 216 CG PHE A 125 -24.528 -10.794 7.079 1.00 0.00 C ATOM 217 CD1 PHE A 125 -24.295 -9.716 7.931 1.00 0.00 C ATOM 218 CD2 PHE A 125 -25.133 -11.933 7.620 1.00 0.00 C ATOM 219 CE1 PHE A 125 -24.647 -9.779 9.272 1.00 0.00 C ATOM 220 CE2 PHE A 125 -25.486 -11.994 8.958 1.00 0.00 C ATOM 221 CZ PHE A 125 -25.242 -10.917 9.786 1.00 0.00 C ATOM 0 H PHE A 125 -22.444 -11.557 3.509 1.00 0.00 H new ATOM 0 HA PHE A 125 -22.444 -9.386 5.557 1.00 0.00 H new ATOM 0 HB2 PHE A 125 -24.778 -9.985 5.110 1.00 0.00 H new ATOM 0 HB3 PHE A 125 -24.398 -11.696 5.139 1.00 0.00 H new ATOM 0 HD1 PHE A 125 -23.834 -8.820 7.543 1.00 0.00 H new ATOM 0 HD2 PHE A 125 -25.329 -12.782 6.982 1.00 0.00 H new ATOM 0 HE1 PHE A 125 -24.455 -8.935 9.918 1.00 0.00 H new ATOM 0 HE2 PHE A 125 -25.952 -12.884 9.353 1.00 0.00 H new ATOM 0 HZ PHE A 125 -25.514 -10.963 10.830 1.00 0.00 H new ATOM 231 N THR A 126 -21.050 -10.781 7.061 1.00 0.00 N ATOM 232 CA THR A 126 -20.207 -11.529 8.015 1.00 0.00 C ATOM 233 C THR A 126 -21.114 -12.131 9.104 1.00 0.00 C ATOM 234 O THR A 126 -22.288 -11.794 9.159 1.00 0.00 O ATOM 235 CB THR A 126 -19.139 -10.574 8.649 1.00 0.00 C ATOM 236 OG1 THR A 126 -19.793 -9.452 9.275 1.00 0.00 O ATOM 237 CG2 THR A 126 -18.137 -10.051 7.597 1.00 0.00 C ATOM 0 H THR A 126 -21.123 -9.789 7.286 1.00 0.00 H new ATOM 0 HA THR A 126 -19.678 -12.331 7.500 1.00 0.00 H new ATOM 0 HB THR A 126 -18.586 -11.151 9.390 1.00 0.00 H new ATOM 0 HG1 THR A 126 -19.120 -8.860 9.671 1.00 0.00 H new ATOM 0 HG21 THR A 126 -17.414 -9.393 8.079 1.00 0.00 H new ATOM 0 HG22 THR A 126 -17.615 -10.893 7.142 1.00 0.00 H new ATOM 0 HG23 THR A 126 -18.674 -9.498 6.826 1.00 0.00 H new ATOM 245 N HIS A 127 -20.605 -13.014 9.976 1.00 0.00 N ATOM 246 CA HIS A 127 -21.484 -13.682 10.957 1.00 0.00 C ATOM 247 C HIS A 127 -21.728 -12.792 12.190 1.00 0.00 C ATOM 248 O HIS A 127 -20.807 -12.175 12.737 1.00 0.00 O ATOM 249 CB HIS A 127 -20.938 -15.076 11.391 1.00 0.00 C ATOM 250 CG HIS A 127 -19.817 -15.064 12.406 1.00 0.00 C ATOM 251 ND1 HIS A 127 -18.487 -14.876 12.100 1.00 0.00 N ATOM 252 CD2 HIS A 127 -19.863 -15.224 13.756 1.00 0.00 C ATOM 253 CE1 HIS A 127 -17.786 -14.926 13.241 1.00 0.00 C ATOM 254 NE2 HIS A 127 -18.579 -15.132 14.275 1.00 0.00 N ATOM 0 H HIS A 127 -19.621 -13.279 10.026 1.00 0.00 H new ATOM 0 HA HIS A 127 -22.437 -13.847 10.455 1.00 0.00 H new ATOM 0 HB2 HIS A 127 -21.765 -15.656 11.800 1.00 0.00 H new ATOM 0 HB3 HIS A 127 -20.590 -15.600 10.501 1.00 0.00 H new ATOM 0 HD1 HIS A 127 -18.103 -14.725 11.167 1.00 0.00 H new ATOM 0 HD2 HIS A 127 -20.759 -15.396 14.334 1.00 0.00 H new ATOM 0 HE1 HIS A 127 -16.714 -14.813 13.306 1.00 0.00 H new ATOM 262 N ASP A 128 -23.004 -12.676 12.555 1.00 0.00 N ATOM 263 CA ASP A 128 -23.432 -12.369 13.929 1.00 0.00 C ATOM 264 C ASP A 128 -23.818 -13.711 14.613 1.00 0.00 C ATOM 265 O ASP A 128 -24.007 -13.785 15.831 1.00 0.00 O ATOM 266 CB ASP A 128 -24.632 -11.377 13.898 1.00 0.00 C ATOM 267 CG ASP A 128 -25.124 -10.968 15.304 1.00 0.00 C ATOM 268 OD1 ASP A 128 -24.480 -10.105 15.937 1.00 0.00 O ATOM 269 OD2 ASP A 128 -26.148 -11.518 15.788 1.00 0.00 O ATOM 0 H ASP A 128 -23.780 -12.793 11.904 1.00 0.00 H new ATOM 0 HA ASP A 128 -22.632 -11.891 14.494 1.00 0.00 H new ATOM 0 HB2 ASP A 128 -24.340 -10.482 13.348 1.00 0.00 H new ATOM 0 HB3 ASP A 128 -25.457 -11.833 13.350 1.00 0.00 H new ATOM 274 N ASP A 129 -23.863 -14.783 13.789 1.00 0.00 N ATOM 275 CA ASP A 129 -24.426 -16.087 14.142 1.00 0.00 C ATOM 276 C ASP A 129 -23.422 -16.944 14.943 1.00 0.00 C ATOM 277 O ASP A 129 -23.631 -17.198 16.131 1.00 0.00 O ATOM 278 CB ASP A 129 -24.834 -16.797 12.823 1.00 0.00 C ATOM 279 CG ASP A 129 -25.641 -18.089 13.039 1.00 0.00 C ATOM 280 OD1 ASP A 129 -25.040 -19.167 13.191 1.00 0.00 O ATOM 281 OD2 ASP A 129 -26.887 -18.027 13.064 1.00 0.00 O ATOM 0 H ASP A 129 -23.497 -14.754 12.838 1.00 0.00 H new ATOM 0 HA ASP A 129 -25.295 -15.950 14.786 1.00 0.00 H new ATOM 0 HB2 ASP A 129 -25.423 -16.108 12.217 1.00 0.00 H new ATOM 0 HB3 ASP A 129 -23.934 -17.032 12.254 1.00 0.00 H new ATOM 286 N GLY A 130 -22.330 -17.367 14.278 1.00 0.00 N ATOM 287 CA GLY A 130 -21.305 -18.217 14.902 1.00 0.00 C ATOM 288 C GLY A 130 -20.987 -19.458 14.077 1.00 0.00 C ATOM 289 O GLY A 130 -19.846 -19.940 14.084 1.00 0.00 O ATOM 0 H GLY A 130 -22.137 -17.131 13.305 1.00 0.00 H new ATOM 0 HA2 GLY A 130 -20.394 -17.636 15.042 1.00 0.00 H new ATOM 0 HA3 GLY A 130 -21.645 -18.521 15.892 1.00 0.00 H new ATOM 293 N TYR A 131 -21.994 -19.960 13.342 1.00 0.00 N ATOM 294 CA TYR A 131 -21.881 -21.205 12.556 1.00 0.00 C ATOM 295 C TYR A 131 -21.375 -20.896 11.137 1.00 0.00 C ATOM 296 O TYR A 131 -22.165 -20.568 10.230 1.00 0.00 O ATOM 297 CB TYR A 131 -23.250 -21.948 12.530 1.00 0.00 C ATOM 298 CG TYR A 131 -23.664 -22.549 13.888 1.00 0.00 C ATOM 299 CD1 TYR A 131 -23.971 -21.728 14.982 1.00 0.00 C ATOM 300 CD2 TYR A 131 -23.737 -23.932 14.083 1.00 0.00 C ATOM 301 CE1 TYR A 131 -24.340 -22.261 16.199 1.00 0.00 C ATOM 302 CE2 TYR A 131 -24.105 -24.465 15.304 1.00 0.00 C ATOM 303 CZ TYR A 131 -24.400 -23.627 16.358 1.00 0.00 C ATOM 304 OH TYR A 131 -24.776 -24.158 17.573 1.00 0.00 O ATOM 0 H TYR A 131 -22.910 -19.516 13.275 1.00 0.00 H new ATOM 0 HA TYR A 131 -21.153 -21.864 13.029 1.00 0.00 H new ATOM 0 HB2 TYR A 131 -24.023 -21.253 12.201 1.00 0.00 H new ATOM 0 HB3 TYR A 131 -23.204 -22.747 11.790 1.00 0.00 H new ATOM 0 HD1 TYR A 131 -23.917 -20.655 14.869 1.00 0.00 H new ATOM 0 HD2 TYR A 131 -23.501 -24.596 13.264 1.00 0.00 H new ATOM 0 HE1 TYR A 131 -24.581 -21.609 17.025 1.00 0.00 H new ATOM 0 HE2 TYR A 131 -24.161 -25.536 15.432 1.00 0.00 H new ATOM 0 HH TYR A 131 -24.769 -25.136 17.519 1.00 0.00 H new ATOM 314 N MET A 132 -20.039 -20.959 10.961 1.00 0.00 N ATOM 315 CA MET A 132 -19.383 -20.686 9.668 1.00 0.00 C ATOM 316 C MET A 132 -18.462 -21.845 9.257 1.00 0.00 C ATOM 317 O MET A 132 -17.835 -22.494 10.097 1.00 0.00 O ATOM 318 CB MET A 132 -18.551 -19.375 9.711 1.00 0.00 C ATOM 319 CG MET A 132 -19.296 -18.134 10.220 1.00 0.00 C ATOM 320 SD MET A 132 -18.540 -16.601 9.634 1.00 0.00 S ATOM 321 CE MET A 132 -19.051 -16.611 7.923 1.00 0.00 C ATOM 0 H MET A 132 -19.388 -21.200 11.709 1.00 0.00 H new ATOM 0 HA MET A 132 -20.180 -20.576 8.933 1.00 0.00 H new ATOM 0 HB2 MET A 132 -17.680 -19.539 10.345 1.00 0.00 H new ATOM 0 HB3 MET A 132 -18.180 -19.168 8.707 1.00 0.00 H new ATOM 0 HG2 MET A 132 -20.334 -18.175 9.891 1.00 0.00 H new ATOM 0 HG3 MET A 132 -19.306 -18.139 11.310 1.00 0.00 H new ATOM 0 HE1 MET A 132 -19.188 -15.586 7.578 1.00 0.00 H new ATOM 0 HE2 MET A 132 -18.286 -17.098 7.318 1.00 0.00 H new ATOM 0 HE3 MET A 132 -19.991 -17.155 7.827 1.00 0.00 H new ATOM 331 N ILE A 133 -18.404 -22.075 7.947 1.00 0.00 N ATOM 332 CA ILE A 133 -17.515 -23.044 7.293 1.00 0.00 C ATOM 333 C ILE A 133 -16.608 -22.296 6.291 1.00 0.00 C ATOM 334 O ILE A 133 -17.067 -21.425 5.539 1.00 0.00 O ATOM 335 CB ILE A 133 -18.366 -24.158 6.569 1.00 0.00 C ATOM 336 CG1 ILE A 133 -19.505 -23.492 5.718 1.00 0.00 C ATOM 337 CG2 ILE A 133 -18.926 -25.181 7.591 1.00 0.00 C ATOM 338 CD1 ILE A 133 -20.558 -24.433 5.177 1.00 0.00 C ATOM 0 H ILE A 133 -18.995 -21.575 7.283 1.00 0.00 H new ATOM 0 HA ILE A 133 -16.889 -23.536 8.037 1.00 0.00 H new ATOM 0 HB ILE A 133 -17.720 -24.713 5.889 1.00 0.00 H new ATOM 0 HG12 ILE A 133 -19.999 -22.739 6.332 1.00 0.00 H new ATOM 0 HG13 ILE A 133 -19.047 -22.968 4.879 1.00 0.00 H new ATOM 0 HG21 ILE A 133 -19.509 -25.938 7.066 1.00 0.00 H new ATOM 0 HG22 ILE A 133 -18.100 -25.659 8.117 1.00 0.00 H new ATOM 0 HG23 ILE A 133 -19.564 -24.666 8.309 1.00 0.00 H new ATOM 0 HD11 ILE A 133 -21.293 -23.866 4.606 1.00 0.00 H new ATOM 0 HD12 ILE A 133 -20.087 -25.172 4.529 1.00 0.00 H new ATOM 0 HD13 ILE A 133 -21.054 -24.939 6.005 1.00 0.00 H new ATOM 350 N CYS A 134 -15.317 -22.632 6.302 1.00 0.00 N ATOM 351 CA CYS A 134 -14.294 -21.971 5.470 1.00 0.00 C ATOM 352 C CYS A 134 -13.994 -22.819 4.218 1.00 0.00 C ATOM 353 O CYS A 134 -13.747 -24.022 4.325 1.00 0.00 O ATOM 354 CB CYS A 134 -13.023 -21.757 6.316 1.00 0.00 C ATOM 355 SG CYS A 134 -12.366 -23.266 7.056 1.00 0.00 S ATOM 0 H CYS A 134 -14.943 -23.376 6.891 1.00 0.00 H new ATOM 0 HA CYS A 134 -14.661 -21.002 5.131 1.00 0.00 H new ATOM 0 HB2 CYS A 134 -12.253 -21.308 5.688 1.00 0.00 H new ATOM 0 HB3 CYS A 134 -13.244 -21.043 7.109 1.00 0.00 H new ATOM 0 HG CYS A 134 -12.609 -24.275 6.273 1.00 0.00 H new ATOM 361 N CYS A 135 -14.062 -22.188 3.029 1.00 0.00 N ATOM 362 CA CYS A 135 -13.756 -22.842 1.742 1.00 0.00 C ATOM 363 C CYS A 135 -12.256 -23.113 1.660 1.00 0.00 C ATOM 364 O CYS A 135 -11.511 -22.195 1.364 1.00 0.00 O ATOM 365 CB CYS A 135 -14.219 -21.974 0.546 1.00 0.00 C ATOM 366 SG CYS A 135 -14.123 -22.817 -1.078 1.00 0.00 S ATOM 0 H CYS A 135 -14.331 -21.209 2.934 1.00 0.00 H new ATOM 0 HA CYS A 135 -14.300 -23.785 1.689 1.00 0.00 H new ATOM 0 HB2 CYS A 135 -15.248 -21.658 0.718 1.00 0.00 H new ATOM 0 HB3 CYS A 135 -13.610 -21.071 0.510 1.00 0.00 H new ATOM 371 N ASP A 136 -11.864 -24.379 1.896 1.00 0.00 N ATOM 372 CA ASP A 136 -10.455 -24.810 2.111 1.00 0.00 C ATOM 373 C ASP A 136 -9.461 -24.185 1.101 1.00 0.00 C ATOM 374 O ASP A 136 -8.431 -23.628 1.486 1.00 0.00 O ATOM 375 CB ASP A 136 -10.380 -26.361 2.044 1.00 0.00 C ATOM 376 CG ASP A 136 -8.945 -26.928 2.101 1.00 0.00 C ATOM 377 OD1 ASP A 136 -8.339 -26.926 3.193 1.00 0.00 O ATOM 378 OD2 ASP A 136 -8.415 -27.375 1.055 1.00 0.00 O ATOM 0 H ASP A 136 -12.526 -25.153 1.945 1.00 0.00 H new ATOM 0 HA ASP A 136 -10.154 -24.452 3.096 1.00 0.00 H new ATOM 0 HB2 ASP A 136 -10.956 -26.777 2.870 1.00 0.00 H new ATOM 0 HB3 ASP A 136 -10.855 -26.697 1.122 1.00 0.00 H new ATOM 383 N LYS A 137 -9.816 -24.258 -0.184 1.00 0.00 N ATOM 384 CA LYS A 137 -8.963 -23.799 -1.300 1.00 0.00 C ATOM 385 C LYS A 137 -8.940 -22.239 -1.443 1.00 0.00 C ATOM 386 O LYS A 137 -7.927 -21.671 -1.858 1.00 0.00 O ATOM 387 CB LYS A 137 -9.467 -24.488 -2.592 1.00 0.00 C ATOM 388 CG LYS A 137 -8.725 -24.129 -3.891 1.00 0.00 C ATOM 389 CD LYS A 137 -9.459 -24.661 -5.143 1.00 0.00 C ATOM 390 CE LYS A 137 -9.539 -26.200 -5.210 1.00 0.00 C ATOM 391 NZ LYS A 137 -10.251 -26.663 -6.434 1.00 0.00 N ATOM 0 H LYS A 137 -10.711 -24.640 -0.489 1.00 0.00 H new ATOM 0 HA LYS A 137 -7.928 -24.079 -1.101 1.00 0.00 H new ATOM 0 HB2 LYS A 137 -9.406 -25.567 -2.450 1.00 0.00 H new ATOM 0 HB3 LYS A 137 -10.521 -24.243 -2.721 1.00 0.00 H new ATOM 0 HG2 LYS A 137 -8.623 -23.046 -3.963 1.00 0.00 H new ATOM 0 HG3 LYS A 137 -7.717 -24.542 -3.859 1.00 0.00 H new ATOM 0 HD2 LYS A 137 -10.469 -24.253 -5.161 1.00 0.00 H new ATOM 0 HD3 LYS A 137 -8.951 -24.294 -6.034 1.00 0.00 H new ATOM 0 HE2 LYS A 137 -8.532 -26.618 -5.195 1.00 0.00 H new ATOM 0 HE3 LYS A 137 -10.053 -26.576 -4.326 1.00 0.00 H new ATOM 0 HZ1 LYS A 137 -10.285 -27.702 -6.444 1.00 0.00 H new ATOM 0 HZ2 LYS A 137 -11.220 -26.285 -6.436 1.00 0.00 H new ATOM 0 HZ3 LYS A 137 -9.746 -26.325 -7.278 1.00 0.00 H new ATOM 405 N CYS A 138 -10.052 -21.563 -1.086 1.00 0.00 N ATOM 406 CA CYS A 138 -10.178 -20.079 -1.188 1.00 0.00 C ATOM 407 C CYS A 138 -9.622 -19.378 0.067 1.00 0.00 C ATOM 408 O CYS A 138 -9.098 -18.256 -0.022 1.00 0.00 O ATOM 409 CB CYS A 138 -11.656 -19.638 -1.357 1.00 0.00 C ATOM 410 SG CYS A 138 -12.409 -19.927 -2.974 1.00 0.00 S ATOM 0 H CYS A 138 -10.888 -22.020 -0.720 1.00 0.00 H new ATOM 0 HA CYS A 138 -9.602 -19.789 -2.067 1.00 0.00 H new ATOM 0 HB2 CYS A 138 -12.253 -20.155 -0.606 1.00 0.00 H new ATOM 0 HB3 CYS A 138 -11.720 -18.572 -1.137 1.00 0.00 H new ATOM 415 N SER A 139 -9.796 -20.054 1.221 1.00 0.00 N ATOM 416 CA SER A 139 -9.556 -19.509 2.576 1.00 0.00 C ATOM 417 C SER A 139 -10.630 -18.463 2.979 1.00 0.00 C ATOM 418 O SER A 139 -10.448 -17.713 3.947 1.00 0.00 O ATOM 419 CB SER A 139 -8.128 -18.947 2.704 1.00 0.00 C ATOM 420 OG SER A 139 -7.151 -19.930 2.389 1.00 0.00 O ATOM 0 H SER A 139 -10.117 -21.022 1.238 1.00 0.00 H new ATOM 0 HA SER A 139 -9.646 -20.335 3.282 1.00 0.00 H new ATOM 0 HB2 SER A 139 -8.012 -18.091 2.039 1.00 0.00 H new ATOM 0 HB3 SER A 139 -7.968 -18.586 3.720 1.00 0.00 H new ATOM 0 HG SER A 139 -6.288 -19.667 2.771 1.00 0.00 H new ATOM 426 N VAL A 140 -11.779 -18.453 2.259 1.00 0.00 N ATOM 427 CA VAL A 140 -12.879 -17.497 2.520 1.00 0.00 C ATOM 428 C VAL A 140 -13.985 -18.155 3.364 1.00 0.00 C ATOM 429 O VAL A 140 -14.357 -19.308 3.120 1.00 0.00 O ATOM 430 CB VAL A 140 -13.488 -16.878 1.198 1.00 0.00 C ATOM 431 CG1 VAL A 140 -12.376 -16.247 0.324 1.00 0.00 C ATOM 432 CG2 VAL A 140 -14.338 -17.893 0.381 1.00 0.00 C ATOM 0 H VAL A 140 -11.966 -19.099 1.492 1.00 0.00 H new ATOM 0 HA VAL A 140 -12.442 -16.671 3.082 1.00 0.00 H new ATOM 0 HB VAL A 140 -14.175 -16.092 1.511 1.00 0.00 H new ATOM 0 HG11 VAL A 140 -12.818 -15.828 -0.580 1.00 0.00 H new ATOM 0 HG12 VAL A 140 -11.877 -15.457 0.885 1.00 0.00 H new ATOM 0 HG13 VAL A 140 -11.649 -17.012 0.051 1.00 0.00 H new ATOM 0 HG21 VAL A 140 -14.727 -17.406 -0.513 1.00 0.00 H new ATOM 0 HG22 VAL A 140 -13.715 -18.739 0.091 1.00 0.00 H new ATOM 0 HG23 VAL A 140 -15.169 -18.246 0.992 1.00 0.00 H new ATOM 442 N TRP A 141 -14.494 -17.412 4.352 1.00 0.00 N ATOM 443 CA TRP A 141 -15.499 -17.900 5.312 1.00 0.00 C ATOM 444 C TRP A 141 -16.925 -17.599 4.814 1.00 0.00 C ATOM 445 O TRP A 141 -17.215 -16.478 4.365 1.00 0.00 O ATOM 446 CB TRP A 141 -15.240 -17.256 6.701 1.00 0.00 C ATOM 447 CG TRP A 141 -13.961 -17.741 7.345 1.00 0.00 C ATOM 448 CD1 TRP A 141 -12.677 -17.388 7.027 1.00 0.00 C ATOM 449 CD2 TRP A 141 -13.859 -18.701 8.401 1.00 0.00 C ATOM 450 NE1 TRP A 141 -11.793 -18.069 7.824 1.00 0.00 N ATOM 451 CE2 TRP A 141 -12.492 -18.879 8.676 1.00 0.00 C ATOM 452 CE3 TRP A 141 -14.800 -19.421 9.136 1.00 0.00 C ATOM 453 CZ2 TRP A 141 -12.041 -19.758 9.659 1.00 0.00 C ATOM 454 CZ3 TRP A 141 -14.355 -20.290 10.115 1.00 0.00 C ATOM 455 CH2 TRP A 141 -12.985 -20.452 10.370 1.00 0.00 C ATOM 0 H TRP A 141 -14.219 -16.443 4.513 1.00 0.00 H new ATOM 0 HA TRP A 141 -15.411 -18.982 5.405 1.00 0.00 H new ATOM 0 HB2 TRP A 141 -15.197 -16.172 6.591 1.00 0.00 H new ATOM 0 HB3 TRP A 141 -16.079 -17.477 7.360 1.00 0.00 H new ATOM 0 HD1 TRP A 141 -12.401 -16.678 6.261 1.00 0.00 H new ATOM 0 HE1 TRP A 141 -10.777 -17.985 7.787 1.00 0.00 H new ATOM 0 HE3 TRP A 141 -15.856 -19.302 8.944 1.00 0.00 H new ATOM 0 HZ2 TRP A 141 -10.987 -19.887 9.853 1.00 0.00 H new ATOM 0 HZ3 TRP A 141 -15.073 -20.853 10.692 1.00 0.00 H new ATOM 0 HH2 TRP A 141 -12.668 -21.137 11.142 1.00 0.00 H new ATOM 466 N GLN A 142 -17.806 -18.625 4.879 1.00 0.00 N ATOM 467 CA GLN A 142 -19.222 -18.520 4.484 1.00 0.00 C ATOM 468 C GLN A 142 -20.117 -19.228 5.512 1.00 0.00 C ATOM 469 O GLN A 142 -19.633 -19.986 6.346 1.00 0.00 O ATOM 470 CB GLN A 142 -19.456 -19.098 3.060 1.00 0.00 C ATOM 471 CG GLN A 142 -18.703 -18.343 1.933 1.00 0.00 C ATOM 472 CD GLN A 142 -19.367 -18.419 0.556 1.00 0.00 C ATOM 473 OE1 GLN A 142 -20.573 -18.625 0.441 1.00 0.00 O ATOM 474 NE2 GLN A 142 -18.604 -18.137 -0.490 1.00 0.00 N ATOM 0 H GLN A 142 -17.547 -19.554 5.210 1.00 0.00 H new ATOM 0 HA GLN A 142 -19.488 -17.463 4.459 1.00 0.00 H new ATOM 0 HB2 GLN A 142 -19.148 -20.143 3.050 1.00 0.00 H new ATOM 0 HB3 GLN A 142 -20.524 -19.078 2.844 1.00 0.00 H new ATOM 0 HG2 GLN A 142 -18.608 -17.295 2.218 1.00 0.00 H new ATOM 0 HG3 GLN A 142 -17.693 -18.746 1.857 1.00 0.00 H new ATOM 0 HE21 GLN A 142 -17.606 -17.971 -0.363 1.00 0.00 H new ATOM 0 HE22 GLN A 142 -19.015 -18.086 -1.422 1.00 0.00 H new ATOM 483 N HIS A 143 -21.431 -18.956 5.448 1.00 0.00 N ATOM 484 CA HIS A 143 -22.412 -19.525 6.393 1.00 0.00 C ATOM 485 C HIS A 143 -22.863 -20.927 5.936 1.00 0.00 C ATOM 486 O HIS A 143 -23.017 -21.193 4.718 1.00 0.00 O ATOM 487 CB HIS A 143 -23.641 -18.590 6.547 1.00 0.00 C ATOM 488 CG HIS A 143 -23.315 -17.226 7.120 1.00 0.00 C ATOM 489 ND1 HIS A 143 -23.408 -16.068 6.363 1.00 0.00 N ATOM 490 CD2 HIS A 143 -22.922 -16.886 8.381 1.00 0.00 C ATOM 491 CE1 HIS A 143 -23.078 -15.078 7.171 1.00 0.00 C ATOM 492 NE2 HIS A 143 -22.776 -15.523 8.396 1.00 0.00 N ATOM 0 H HIS A 143 -21.843 -18.341 4.746 1.00 0.00 H new ATOM 0 HA HIS A 143 -21.925 -19.616 7.364 1.00 0.00 H new ATOM 0 HB2 HIS A 143 -24.109 -18.459 5.571 1.00 0.00 H new ATOM 0 HB3 HIS A 143 -24.375 -19.076 7.190 1.00 0.00 H new ATOM 0 HD2 HIS A 143 -22.758 -17.561 9.208 1.00 0.00 H new ATOM 0 HE1 HIS A 143 -23.055 -14.038 6.880 1.00 0.00 H new ATOM 0 HE2 HIS A 143 -22.490 -14.954 9.193 1.00 0.00 H new ATOM 499 N ILE A 144 -23.099 -21.803 6.930 1.00 0.00 N ATOM 500 CA ILE A 144 -23.566 -23.185 6.713 1.00 0.00 C ATOM 501 C ILE A 144 -24.942 -23.183 6.013 1.00 0.00 C ATOM 502 O ILE A 144 -25.198 -23.968 5.093 1.00 0.00 O ATOM 503 CB ILE A 144 -23.622 -23.962 8.085 1.00 0.00 C ATOM 504 CG1 ILE A 144 -22.232 -23.882 8.799 1.00 0.00 C ATOM 505 CG2 ILE A 144 -24.064 -25.432 7.898 1.00 0.00 C ATOM 506 CD1 ILE A 144 -22.143 -24.598 10.135 1.00 0.00 C ATOM 0 H ILE A 144 -22.970 -21.570 7.915 1.00 0.00 H new ATOM 0 HA ILE A 144 -22.860 -23.701 6.062 1.00 0.00 H new ATOM 0 HB ILE A 144 -24.373 -23.483 8.714 1.00 0.00 H new ATOM 0 HG12 ILE A 144 -21.476 -24.297 8.133 1.00 0.00 H new ATOM 0 HG13 ILE A 144 -21.981 -22.832 8.951 1.00 0.00 H new ATOM 0 HG21 ILE A 144 -24.089 -25.930 8.867 1.00 0.00 H new ATOM 0 HG22 ILE A 144 -25.057 -25.459 7.450 1.00 0.00 H new ATOM 0 HG23 ILE A 144 -23.357 -25.944 7.245 1.00 0.00 H new ATOM 0 HD11 ILE A 144 -21.140 -24.481 10.544 1.00 0.00 H new ATOM 0 HD12 ILE A 144 -22.869 -24.170 10.826 1.00 0.00 H new ATOM 0 HD13 ILE A 144 -22.356 -25.658 9.995 1.00 0.00 H new ATOM 518 N ASP A 145 -25.783 -22.233 6.439 1.00 0.00 N ATOM 519 CA ASP A 145 -27.135 -22.008 5.878 1.00 0.00 C ATOM 520 C ASP A 145 -27.055 -21.548 4.409 1.00 0.00 C ATOM 521 O ASP A 145 -27.935 -21.849 3.605 1.00 0.00 O ATOM 522 CB ASP A 145 -27.889 -20.916 6.680 1.00 0.00 C ATOM 523 CG ASP A 145 -27.667 -20.979 8.192 1.00 0.00 C ATOM 524 OD1 ASP A 145 -26.694 -20.345 8.675 1.00 0.00 O ATOM 525 OD2 ASP A 145 -28.451 -21.636 8.903 1.00 0.00 O ATOM 0 H ASP A 145 -25.548 -21.587 7.192 1.00 0.00 H new ATOM 0 HA ASP A 145 -27.668 -22.956 5.942 1.00 0.00 H new ATOM 0 HB2 ASP A 145 -27.576 -19.936 6.319 1.00 0.00 H new ATOM 0 HB3 ASP A 145 -28.956 -21.005 6.477 1.00 0.00 H new ATOM 530 N CYS A 146 -25.978 -20.799 4.094 1.00 0.00 N ATOM 531 CA CYS A 146 -25.792 -20.142 2.786 1.00 0.00 C ATOM 532 C CYS A 146 -25.476 -21.143 1.660 1.00 0.00 C ATOM 533 O CYS A 146 -25.870 -20.912 0.513 1.00 0.00 O ATOM 534 CB CYS A 146 -24.705 -19.052 2.874 1.00 0.00 C ATOM 535 SG CYS A 146 -25.292 -17.503 3.639 1.00 0.00 S ATOM 0 H CYS A 146 -25.210 -20.633 4.744 1.00 0.00 H new ATOM 0 HA CYS A 146 -26.741 -19.672 2.529 1.00 0.00 H new ATOM 0 HB2 CYS A 146 -23.862 -19.436 3.449 1.00 0.00 H new ATOM 0 HB3 CYS A 146 -24.335 -18.836 1.872 1.00 0.00 H new ATOM 540 N MET A 147 -24.738 -22.235 1.969 1.00 0.00 N ATOM 541 CA MET A 147 -24.599 -23.360 0.992 1.00 0.00 C ATOM 542 C MET A 147 -25.808 -24.341 1.107 1.00 0.00 C ATOM 543 O MET A 147 -25.955 -25.271 0.305 1.00 0.00 O ATOM 544 CB MET A 147 -23.241 -24.110 1.182 1.00 0.00 C ATOM 545 CG MET A 147 -23.001 -25.264 0.175 1.00 0.00 C ATOM 546 SD MET A 147 -21.425 -26.124 0.364 1.00 0.00 S ATOM 547 CE MET A 147 -21.692 -27.605 -0.612 1.00 0.00 C ATOM 0 H MET A 147 -24.243 -22.368 2.851 1.00 0.00 H new ATOM 0 HA MET A 147 -24.601 -22.938 -0.013 1.00 0.00 H new ATOM 0 HB2 MET A 147 -22.427 -23.391 1.093 1.00 0.00 H new ATOM 0 HB3 MET A 147 -23.201 -24.513 2.194 1.00 0.00 H new ATOM 0 HG2 MET A 147 -23.808 -25.989 0.277 1.00 0.00 H new ATOM 0 HG3 MET A 147 -23.060 -24.862 -0.836 1.00 0.00 H new ATOM 0 HE1 MET A 147 -20.797 -28.227 -0.582 1.00 0.00 H new ATOM 0 HE2 MET A 147 -22.535 -28.163 -0.204 1.00 0.00 H new ATOM 0 HE3 MET A 147 -21.906 -27.327 -1.644 1.00 0.00 H new ATOM 557 N GLY A 148 -26.703 -24.079 2.075 1.00 0.00 N ATOM 558 CA GLY A 148 -27.897 -24.909 2.299 1.00 0.00 C ATOM 559 C GLY A 148 -27.588 -26.231 2.990 1.00 0.00 C ATOM 560 O GLY A 148 -28.333 -27.206 2.848 1.00 0.00 O ATOM 0 H GLY A 148 -26.620 -23.292 2.719 1.00 0.00 H new ATOM 0 HA2 GLY A 148 -28.612 -24.350 2.902 1.00 0.00 H new ATOM 0 HA3 GLY A 148 -28.376 -25.111 1.341 1.00 0.00 H new ATOM 564 N ILE A 149 -26.461 -26.255 3.714 1.00 0.00 N ATOM 565 CA ILE A 149 -26.003 -27.419 4.484 1.00 0.00 C ATOM 566 C ILE A 149 -26.664 -27.410 5.874 1.00 0.00 C ATOM 567 O ILE A 149 -26.896 -26.335 6.439 1.00 0.00 O ATOM 568 CB ILE A 149 -24.435 -27.387 4.637 1.00 0.00 C ATOM 569 CG1 ILE A 149 -23.729 -27.402 3.244 1.00 0.00 C ATOM 570 CG2 ILE A 149 -23.920 -28.551 5.516 1.00 0.00 C ATOM 571 CD1 ILE A 149 -22.215 -27.301 3.305 1.00 0.00 C ATOM 0 H ILE A 149 -25.833 -25.454 3.782 1.00 0.00 H new ATOM 0 HA ILE A 149 -26.285 -28.329 3.955 1.00 0.00 H new ATOM 0 HB ILE A 149 -24.184 -26.453 5.139 1.00 0.00 H new ATOM 0 HG12 ILE A 149 -23.999 -28.321 2.724 1.00 0.00 H new ATOM 0 HG13 ILE A 149 -24.112 -26.574 2.648 1.00 0.00 H new ATOM 0 HG21 ILE A 149 -22.835 -28.493 5.597 1.00 0.00 H new ATOM 0 HG22 ILE A 149 -24.362 -28.480 6.510 1.00 0.00 H new ATOM 0 HG23 ILE A 149 -24.200 -29.501 5.062 1.00 0.00 H new ATOM 0 HD11 ILE A 149 -21.808 -27.319 2.294 1.00 0.00 H new ATOM 0 HD12 ILE A 149 -21.932 -26.369 3.794 1.00 0.00 H new ATOM 0 HD13 ILE A 149 -21.817 -28.143 3.871 1.00 0.00 H new ATOM 583 N ASP A 150 -26.972 -28.605 6.407 1.00 0.00 N ATOM 584 CA ASP A 150 -27.472 -28.758 7.784 1.00 0.00 C ATOM 585 C ASP A 150 -26.355 -28.467 8.799 1.00 0.00 C ATOM 586 O ASP A 150 -25.207 -28.874 8.610 1.00 0.00 O ATOM 587 CB ASP A 150 -28.042 -30.182 8.027 1.00 0.00 C ATOM 588 CG ASP A 150 -29.382 -30.426 7.311 1.00 0.00 C ATOM 589 OD1 ASP A 150 -30.427 -30.005 7.844 1.00 0.00 O ATOM 590 OD2 ASP A 150 -29.396 -31.017 6.211 1.00 0.00 O ATOM 0 H ASP A 150 -26.882 -29.486 5.900 1.00 0.00 H new ATOM 0 HA ASP A 150 -28.279 -28.038 7.920 1.00 0.00 H new ATOM 0 HB2 ASP A 150 -27.316 -30.920 7.687 1.00 0.00 H new ATOM 0 HB3 ASP A 150 -28.176 -30.335 9.098 1.00 0.00 H new ATOM 595 N ARG A 151 -26.714 -27.770 9.881 1.00 0.00 N ATOM 596 CA ARG A 151 -25.809 -27.535 11.021 1.00 0.00 C ATOM 597 C ARG A 151 -25.591 -28.833 11.824 1.00 0.00 C ATOM 598 O ARG A 151 -24.686 -28.910 12.654 1.00 0.00 O ATOM 599 CB ARG A 151 -26.389 -26.435 11.928 1.00 0.00 C ATOM 600 CG ARG A 151 -26.589 -25.073 11.226 1.00 0.00 C ATOM 601 CD ARG A 151 -27.208 -24.037 12.165 1.00 0.00 C ATOM 602 NE ARG A 151 -27.355 -22.726 11.522 1.00 0.00 N ATOM 603 CZ ARG A 151 -27.187 -21.545 12.131 1.00 0.00 C ATOM 604 NH1 ARG A 151 -26.830 -21.481 13.406 1.00 0.00 N ATOM 605 NH2 ARG A 151 -27.361 -20.433 11.461 1.00 0.00 N ATOM 0 H ARG A 151 -27.637 -27.352 9.996 1.00 0.00 H new ATOM 0 HA ARG A 151 -24.842 -27.209 10.637 1.00 0.00 H new ATOM 0 HB2 ARG A 151 -27.348 -26.772 12.321 1.00 0.00 H new ATOM 0 HB3 ARG A 151 -25.726 -26.297 12.782 1.00 0.00 H new ATOM 0 HG2 ARG A 151 -25.629 -24.707 10.863 1.00 0.00 H new ATOM 0 HG3 ARG A 151 -27.231 -25.204 10.355 1.00 0.00 H new ATOM 0 HD2 ARG A 151 -28.185 -24.388 12.498 1.00 0.00 H new ATOM 0 HD3 ARG A 151 -26.585 -23.936 13.054 1.00 0.00 H new ATOM 0 HE ARG A 151 -27.605 -22.713 10.533 1.00 0.00 H new ATOM 0 HH11 ARG A 151 -26.679 -22.339 13.937 1.00 0.00 H new ATOM 0 HH12 ARG A 151 -26.706 -20.574 13.856 1.00 0.00 H new ATOM 0 HH21 ARG A 151 -27.624 -20.467 10.476 1.00 0.00 H new ATOM 0 HH22 ARG A 151 -27.233 -19.533 11.924 1.00 0.00 H new ATOM 619 N GLN A 152 -26.455 -29.830 11.584 1.00 0.00 N ATOM 620 CA GLN A 152 -26.338 -31.167 12.183 1.00 0.00 C ATOM 621 C GLN A 152 -25.326 -32.022 11.396 1.00 0.00 C ATOM 622 O GLN A 152 -24.586 -32.828 11.977 1.00 0.00 O ATOM 623 CB GLN A 152 -27.729 -31.855 12.202 1.00 0.00 C ATOM 624 CG GLN A 152 -28.830 -31.034 12.900 1.00 0.00 C ATOM 625 CD GLN A 152 -30.173 -31.767 13.024 1.00 0.00 C ATOM 626 OE1 GLN A 152 -30.520 -32.610 12.197 1.00 0.00 O ATOM 627 NE2 GLN A 152 -30.937 -31.438 14.054 1.00 0.00 N ATOM 0 H GLN A 152 -27.260 -29.730 10.965 1.00 0.00 H new ATOM 0 HA GLN A 152 -25.977 -31.067 13.207 1.00 0.00 H new ATOM 0 HB2 GLN A 152 -28.037 -32.056 11.176 1.00 0.00 H new ATOM 0 HB3 GLN A 152 -27.638 -32.819 12.702 1.00 0.00 H new ATOM 0 HG2 GLN A 152 -28.486 -30.757 13.896 1.00 0.00 H new ATOM 0 HG3 GLN A 152 -28.983 -30.107 12.347 1.00 0.00 H new ATOM 0 HE21 GLN A 152 -30.619 -30.735 14.721 1.00 0.00 H new ATOM 0 HE22 GLN A 152 -31.844 -31.888 14.181 1.00 0.00 H new ATOM 636 N HIS A 153 -25.310 -31.826 10.062 1.00 0.00 N ATOM 637 CA HIS A 153 -24.472 -32.606 9.131 1.00 0.00 C ATOM 638 C HIS A 153 -23.553 -31.640 8.366 1.00 0.00 C ATOM 639 O HIS A 153 -23.905 -31.152 7.291 1.00 0.00 O ATOM 640 CB HIS A 153 -25.365 -33.420 8.147 1.00 0.00 C ATOM 641 CG HIS A 153 -26.438 -34.233 8.824 1.00 0.00 C ATOM 642 ND1 HIS A 153 -27.788 -34.009 8.653 1.00 0.00 N ATOM 643 CD2 HIS A 153 -26.342 -35.267 9.704 1.00 0.00 C ATOM 644 CE1 HIS A 153 -28.452 -34.885 9.417 1.00 0.00 C ATOM 645 NE2 HIS A 153 -27.623 -35.672 10.073 1.00 0.00 N ATOM 0 H HIS A 153 -25.881 -31.119 9.599 1.00 0.00 H new ATOM 0 HA HIS A 153 -23.863 -33.317 9.689 1.00 0.00 H new ATOM 0 HB2 HIS A 153 -25.834 -32.732 7.444 1.00 0.00 H new ATOM 0 HB3 HIS A 153 -24.731 -34.088 7.564 1.00 0.00 H new ATOM 0 HD2 HIS A 153 -25.420 -35.704 10.059 1.00 0.00 H new ATOM 0 HE1 HIS A 153 -29.528 -34.940 9.487 1.00 0.00 H new ATOM 0 HE2 HIS A 153 -27.869 -36.423 10.718 1.00 0.00 H new ATOM 653 N ILE A 154 -22.383 -31.358 8.962 1.00 0.00 N ATOM 654 CA ILE A 154 -21.410 -30.371 8.447 1.00 0.00 C ATOM 655 C ILE A 154 -20.219 -31.114 7.801 1.00 0.00 C ATOM 656 O ILE A 154 -19.624 -31.972 8.463 1.00 0.00 O ATOM 657 CB ILE A 154 -20.879 -29.448 9.613 1.00 0.00 C ATOM 658 CG1 ILE A 154 -22.062 -28.781 10.391 1.00 0.00 C ATOM 659 CG2 ILE A 154 -19.897 -28.370 9.073 1.00 0.00 C ATOM 660 CD1 ILE A 154 -21.648 -27.980 11.619 1.00 0.00 C ATOM 0 H ILE A 154 -22.080 -31.811 9.824 1.00 0.00 H new ATOM 0 HA ILE A 154 -21.908 -29.746 7.706 1.00 0.00 H new ATOM 0 HB ILE A 154 -20.333 -30.082 10.311 1.00 0.00 H new ATOM 0 HG12 ILE A 154 -22.601 -28.122 9.710 1.00 0.00 H new ATOM 0 HG13 ILE A 154 -22.760 -29.559 10.700 1.00 0.00 H new ATOM 0 HG21 ILE A 154 -19.548 -27.750 9.898 1.00 0.00 H new ATOM 0 HG22 ILE A 154 -19.045 -28.858 8.600 1.00 0.00 H new ATOM 0 HG23 ILE A 154 -20.409 -27.745 8.341 1.00 0.00 H new ATOM 0 HD11 ILE A 154 -22.534 -27.556 12.092 1.00 0.00 H new ATOM 0 HD12 ILE A 154 -21.137 -28.635 12.325 1.00 0.00 H new ATOM 0 HD13 ILE A 154 -20.976 -27.176 11.319 1.00 0.00 H new ATOM 672 N PRO A 155 -19.854 -30.819 6.512 1.00 0.00 N ATOM 673 CA PRO A 155 -18.666 -31.413 5.863 1.00 0.00 C ATOM 674 C PRO A 155 -17.357 -30.723 6.312 1.00 0.00 C ATOM 675 O PRO A 155 -17.370 -29.558 6.735 1.00 0.00 O ATOM 676 CB PRO A 155 -18.947 -31.178 4.363 1.00 0.00 C ATOM 677 CG PRO A 155 -19.684 -29.878 4.339 1.00 0.00 C ATOM 678 CD PRO A 155 -20.560 -29.891 5.582 1.00 0.00 C ATOM 0 HA PRO A 155 -18.520 -32.463 6.117 1.00 0.00 H new ATOM 0 HB2 PRO A 155 -18.024 -31.125 3.786 1.00 0.00 H new ATOM 0 HB3 PRO A 155 -19.544 -31.984 3.936 1.00 0.00 H new ATOM 0 HG2 PRO A 155 -18.994 -29.034 4.353 1.00 0.00 H new ATOM 0 HG3 PRO A 155 -20.285 -29.783 3.435 1.00 0.00 H new ATOM 0 HD2 PRO A 155 -20.658 -28.894 6.011 1.00 0.00 H new ATOM 0 HD3 PRO A 155 -21.567 -30.242 5.357 1.00 0.00 H new ATOM 686 N ASP A 156 -16.237 -31.458 6.223 1.00 0.00 N ATOM 687 CA ASP A 156 -14.904 -30.944 6.595 1.00 0.00 C ATOM 688 C ASP A 156 -14.430 -29.888 5.580 1.00 0.00 C ATOM 689 O ASP A 156 -14.275 -28.708 5.916 1.00 0.00 O ATOM 690 CB ASP A 156 -13.888 -32.119 6.682 1.00 0.00 C ATOM 691 CG ASP A 156 -12.435 -31.669 6.959 1.00 0.00 C ATOM 692 OD1 ASP A 156 -12.126 -31.297 8.109 1.00 0.00 O ATOM 693 OD2 ASP A 156 -11.597 -31.692 6.024 1.00 0.00 O ATOM 0 H ASP A 156 -16.227 -32.423 5.892 1.00 0.00 H new ATOM 0 HA ASP A 156 -14.970 -30.467 7.573 1.00 0.00 H new ATOM 0 HB2 ASP A 156 -14.203 -32.802 7.471 1.00 0.00 H new ATOM 0 HB3 ASP A 156 -13.913 -32.679 5.747 1.00 0.00 H new ATOM 698 N THR A 157 -14.228 -30.333 4.334 1.00 0.00 N ATOM 699 CA THR A 157 -13.690 -29.520 3.252 1.00 0.00 C ATOM 700 C THR A 157 -14.832 -28.798 2.512 1.00 0.00 C ATOM 701 O THR A 157 -15.399 -29.326 1.541 1.00 0.00 O ATOM 702 CB THR A 157 -12.853 -30.413 2.280 1.00 0.00 C ATOM 703 OG1 THR A 157 -11.837 -31.121 3.024 1.00 0.00 O ATOM 704 CG2 THR A 157 -12.191 -29.592 1.162 1.00 0.00 C ATOM 0 H THR A 157 -14.441 -31.289 4.050 1.00 0.00 H new ATOM 0 HA THR A 157 -13.028 -28.759 3.666 1.00 0.00 H new ATOM 0 HB THR A 157 -13.539 -31.118 1.811 1.00 0.00 H new ATOM 0 HG1 THR A 157 -11.315 -31.681 2.413 1.00 0.00 H new ATOM 0 HG21 THR A 157 -11.621 -30.256 0.512 1.00 0.00 H new ATOM 0 HG22 THR A 157 -12.960 -29.086 0.578 1.00 0.00 H new ATOM 0 HG23 THR A 157 -11.522 -28.852 1.601 1.00 0.00 H new ATOM 712 N TYR A 158 -15.241 -27.642 3.059 1.00 0.00 N ATOM 713 CA TYR A 158 -16.227 -26.763 2.418 1.00 0.00 C ATOM 714 C TYR A 158 -15.669 -26.203 1.087 1.00 0.00 C ATOM 715 O TYR A 158 -14.492 -25.833 0.993 1.00 0.00 O ATOM 716 CB TYR A 158 -16.635 -25.604 3.374 1.00 0.00 C ATOM 717 CG TYR A 158 -17.555 -24.536 2.735 1.00 0.00 C ATOM 718 CD1 TYR A 158 -18.796 -24.882 2.194 1.00 0.00 C ATOM 719 CD2 TYR A 158 -17.174 -23.194 2.647 1.00 0.00 C ATOM 720 CE1 TYR A 158 -19.607 -23.930 1.614 1.00 0.00 C ATOM 721 CE2 TYR A 158 -17.990 -22.246 2.068 1.00 0.00 C ATOM 722 CZ TYR A 158 -19.200 -22.624 1.545 1.00 0.00 C ATOM 723 OH TYR A 158 -20.017 -21.685 0.952 1.00 0.00 O ATOM 0 H TYR A 158 -14.898 -27.293 3.954 1.00 0.00 H new ATOM 0 HA TYR A 158 -17.118 -27.350 2.197 1.00 0.00 H new ATOM 0 HB2 TYR A 158 -17.140 -26.027 4.242 1.00 0.00 H new ATOM 0 HB3 TYR A 158 -15.731 -25.115 3.738 1.00 0.00 H new ATOM 0 HD1 TYR A 158 -19.125 -25.910 2.231 1.00 0.00 H new ATOM 0 HD2 TYR A 158 -16.216 -22.892 3.043 1.00 0.00 H new ATOM 0 HE1 TYR A 158 -20.568 -24.215 1.212 1.00 0.00 H new ATOM 0 HE2 TYR A 158 -17.679 -21.213 2.027 1.00 0.00 H new ATOM 0 HH TYR A 158 -20.496 -21.184 1.645 1.00 0.00 H new ATOM 733 N LEU A 159 -16.528 -26.191 0.062 1.00 0.00 N ATOM 734 CA LEU A 159 -16.287 -25.492 -1.208 1.00 0.00 C ATOM 735 C LEU A 159 -17.441 -24.520 -1.434 1.00 0.00 C ATOM 736 O LEU A 159 -18.606 -24.896 -1.285 1.00 0.00 O ATOM 737 CB LEU A 159 -16.182 -26.486 -2.393 1.00 0.00 C ATOM 738 CG LEU A 159 -14.935 -27.423 -2.377 1.00 0.00 C ATOM 739 CD1 LEU A 159 -15.019 -28.475 -3.507 1.00 0.00 C ATOM 740 CD2 LEU A 159 -13.616 -26.611 -2.465 1.00 0.00 C ATOM 0 H LEU A 159 -17.426 -26.674 0.091 1.00 0.00 H new ATOM 0 HA LEU A 159 -15.338 -24.958 -1.154 1.00 0.00 H new ATOM 0 HB2 LEU A 159 -17.079 -27.105 -2.406 1.00 0.00 H new ATOM 0 HB3 LEU A 159 -16.175 -25.916 -3.322 1.00 0.00 H new ATOM 0 HG LEU A 159 -14.931 -27.953 -1.424 1.00 0.00 H new ATOM 0 HD11 LEU A 159 -14.138 -29.116 -3.474 1.00 0.00 H new ATOM 0 HD12 LEU A 159 -15.914 -29.082 -3.373 1.00 0.00 H new ATOM 0 HD13 LEU A 159 -15.064 -27.970 -4.472 1.00 0.00 H new ATOM 0 HD21 LEU A 159 -12.767 -27.294 -2.451 1.00 0.00 H new ATOM 0 HD22 LEU A 159 -13.604 -26.035 -3.391 1.00 0.00 H new ATOM 0 HD23 LEU A 159 -13.549 -25.932 -1.615 1.00 0.00 H new ATOM 752 N CYS A 160 -17.116 -23.273 -1.792 1.00 0.00 N ATOM 753 CA CYS A 160 -18.126 -22.216 -2.009 1.00 0.00 C ATOM 754 C CYS A 160 -18.777 -22.380 -3.393 1.00 0.00 C ATOM 755 O CYS A 160 -18.379 -23.273 -4.153 1.00 0.00 O ATOM 756 CB CYS A 160 -17.484 -20.814 -1.850 1.00 0.00 C ATOM 757 SG CYS A 160 -16.256 -20.361 -3.125 1.00 0.00 S ATOM 0 H CYS A 160 -16.155 -22.964 -1.940 1.00 0.00 H new ATOM 0 HA CYS A 160 -18.908 -22.312 -1.255 1.00 0.00 H new ATOM 0 HB2 CYS A 160 -18.278 -20.067 -1.854 1.00 0.00 H new ATOM 0 HB3 CYS A 160 -17.003 -20.763 -0.873 1.00 0.00 H new ATOM 762 N GLU A 161 -19.745 -21.486 -3.701 1.00 0.00 N ATOM 763 CA GLU A 161 -20.557 -21.477 -4.948 1.00 0.00 C ATOM 764 C GLU A 161 -19.762 -21.876 -6.211 1.00 0.00 C ATOM 765 O GLU A 161 -20.132 -22.816 -6.923 1.00 0.00 O ATOM 766 CB GLU A 161 -21.127 -20.041 -5.131 1.00 0.00 C ATOM 767 CG GLU A 161 -21.890 -19.773 -6.456 1.00 0.00 C ATOM 768 CD GLU A 161 -21.926 -18.289 -6.887 1.00 0.00 C ATOM 769 OE1 GLU A 161 -21.236 -17.441 -6.268 1.00 0.00 O ATOM 770 OE2 GLU A 161 -22.632 -17.970 -7.870 1.00 0.00 O ATOM 0 H GLU A 161 -19.993 -20.724 -3.070 1.00 0.00 H new ATOM 0 HA GLU A 161 -21.344 -22.224 -4.838 1.00 0.00 H new ATOM 0 HB2 GLU A 161 -21.799 -19.830 -4.299 1.00 0.00 H new ATOM 0 HB3 GLU A 161 -20.301 -19.333 -5.061 1.00 0.00 H new ATOM 0 HG2 GLU A 161 -21.428 -20.358 -7.251 1.00 0.00 H new ATOM 0 HG3 GLU A 161 -22.914 -20.132 -6.350 1.00 0.00 H new ATOM 777 N ARG A 162 -18.633 -21.199 -6.412 1.00 0.00 N ATOM 778 CA ARG A 162 -17.873 -21.255 -7.670 1.00 0.00 C ATOM 779 C ARG A 162 -17.016 -22.530 -7.739 1.00 0.00 C ATOM 780 O ARG A 162 -16.747 -23.043 -8.826 1.00 0.00 O ATOM 781 CB ARG A 162 -16.998 -19.978 -7.785 1.00 0.00 C ATOM 782 CG ARG A 162 -16.325 -19.768 -9.161 1.00 0.00 C ATOM 783 CD ARG A 162 -15.512 -18.465 -9.219 1.00 0.00 C ATOM 784 NE ARG A 162 -14.954 -18.213 -10.562 1.00 0.00 N ATOM 785 CZ ARG A 162 -14.650 -16.999 -11.046 1.00 0.00 C ATOM 786 NH1 ARG A 162 -14.956 -15.909 -10.357 1.00 0.00 N ATOM 787 NH2 ARG A 162 -14.072 -16.884 -12.226 1.00 0.00 N ATOM 0 H ARG A 162 -18.214 -20.592 -5.707 1.00 0.00 H new ATOM 0 HA ARG A 162 -18.564 -21.291 -8.512 1.00 0.00 H new ATOM 0 HB2 ARG A 162 -17.619 -19.110 -7.565 1.00 0.00 H new ATOM 0 HB3 ARG A 162 -16.222 -20.017 -7.020 1.00 0.00 H new ATOM 0 HG2 ARG A 162 -15.670 -20.612 -9.375 1.00 0.00 H new ATOM 0 HG3 ARG A 162 -17.089 -19.752 -9.938 1.00 0.00 H new ATOM 0 HD2 ARG A 162 -16.149 -17.629 -8.930 1.00 0.00 H new ATOM 0 HD3 ARG A 162 -14.700 -18.513 -8.494 1.00 0.00 H new ATOM 0 HE ARG A 162 -14.788 -19.019 -11.165 1.00 0.00 H new ATOM 0 HH11 ARG A 162 -15.425 -15.991 -9.455 1.00 0.00 H new ATOM 0 HH12 ARG A 162 -14.723 -14.988 -10.729 1.00 0.00 H new ATOM 0 HH21 ARG A 162 -13.856 -17.718 -12.771 1.00 0.00 H new ATOM 0 HH22 ARG A 162 -13.841 -15.961 -12.593 1.00 0.00 H new ATOM 801 N CYS A 163 -16.605 -23.044 -6.562 1.00 0.00 N ATOM 802 CA CYS A 163 -15.766 -24.261 -6.460 1.00 0.00 C ATOM 803 C CYS A 163 -16.620 -25.532 -6.497 1.00 0.00 C ATOM 804 O CYS A 163 -16.128 -26.614 -6.833 1.00 0.00 O ATOM 805 CB CYS A 163 -14.919 -24.222 -5.178 1.00 0.00 C ATOM 806 SG CYS A 163 -13.955 -22.720 -5.020 1.00 0.00 S ATOM 0 H CYS A 163 -16.842 -22.632 -5.659 1.00 0.00 H new ATOM 0 HA CYS A 163 -15.100 -24.281 -7.322 1.00 0.00 H new ATOM 0 HB2 CYS A 163 -15.575 -24.319 -4.313 1.00 0.00 H new ATOM 0 HB3 CYS A 163 -14.248 -25.081 -5.167 1.00 0.00 H new ATOM 811 N GLN A 164 -17.899 -25.384 -6.131 1.00 0.00 N ATOM 812 CA GLN A 164 -18.883 -26.465 -6.203 1.00 0.00 C ATOM 813 C GLN A 164 -19.382 -26.638 -7.656 1.00 0.00 C ATOM 814 O GLN A 164 -19.768 -25.649 -8.294 1.00 0.00 O ATOM 815 CB GLN A 164 -20.074 -26.178 -5.244 1.00 0.00 C ATOM 816 CG GLN A 164 -19.850 -26.597 -3.776 1.00 0.00 C ATOM 817 CD GLN A 164 -19.636 -28.109 -3.598 1.00 0.00 C ATOM 818 OE1 GLN A 164 -20.126 -28.921 -4.387 1.00 0.00 O ATOM 819 NE2 GLN A 164 -18.956 -28.500 -2.533 1.00 0.00 N ATOM 0 H GLN A 164 -18.279 -24.507 -5.776 1.00 0.00 H new ATOM 0 HA GLN A 164 -18.407 -27.394 -5.889 1.00 0.00 H new ATOM 0 HB2 GLN A 164 -20.293 -25.111 -5.271 1.00 0.00 H new ATOM 0 HB3 GLN A 164 -20.957 -26.694 -5.622 1.00 0.00 H new ATOM 0 HG2 GLN A 164 -18.983 -26.066 -3.383 1.00 0.00 H new ATOM 0 HG3 GLN A 164 -20.710 -26.287 -3.182 1.00 0.00 H new ATOM 0 HE21 GLN A 164 -18.562 -27.807 -1.897 1.00 0.00 H new ATOM 0 HE22 GLN A 164 -18.826 -29.495 -2.348 1.00 0.00 H new ATOM 828 N PRO A 165 -19.364 -27.900 -8.205 1.00 0.00 N ATOM 829 CA PRO A 165 -19.996 -28.221 -9.508 1.00 0.00 C ATOM 830 C PRO A 165 -21.530 -28.009 -9.503 1.00 0.00 C ATOM 831 O PRO A 165 -22.146 -27.863 -10.564 1.00 0.00 O ATOM 832 CB PRO A 165 -19.636 -29.719 -9.731 1.00 0.00 C ATOM 833 CG PRO A 165 -18.460 -29.972 -8.836 1.00 0.00 C ATOM 834 CD PRO A 165 -18.675 -29.090 -7.632 1.00 0.00 C ATOM 0 HA PRO A 165 -19.638 -27.566 -10.302 1.00 0.00 H new ATOM 0 HB2 PRO A 165 -20.473 -30.369 -9.476 1.00 0.00 H new ATOM 0 HB3 PRO A 165 -19.388 -29.914 -10.774 1.00 0.00 H new ATOM 0 HG2 PRO A 165 -18.404 -31.022 -8.549 1.00 0.00 H new ATOM 0 HG3 PRO A 165 -17.524 -29.729 -9.339 1.00 0.00 H new ATOM 0 HD2 PRO A 165 -19.284 -29.583 -6.875 1.00 0.00 H new ATOM 0 HD3 PRO A 165 -17.732 -28.820 -7.156 1.00 0.00 H new ATOM 842 N ARG A 166 -22.121 -27.992 -8.293 1.00 0.00 N ATOM 843 CA ARG A 166 -23.575 -27.836 -8.092 1.00 0.00 C ATOM 844 C ARG A 166 -24.011 -26.357 -8.175 1.00 0.00 C ATOM 845 O ARG A 166 -23.178 -25.439 -8.093 1.00 0.00 O ATOM 846 CB ARG A 166 -23.987 -28.440 -6.719 1.00 0.00 C ATOM 847 CG ARG A 166 -23.499 -27.640 -5.494 1.00 0.00 C ATOM 848 CD ARG A 166 -23.759 -28.348 -4.155 1.00 0.00 C ATOM 849 NE ARG A 166 -22.899 -29.533 -3.970 1.00 0.00 N ATOM 850 CZ ARG A 166 -22.955 -30.377 -2.928 1.00 0.00 C ATOM 851 NH1 ARG A 166 -23.890 -30.250 -1.989 1.00 0.00 N ATOM 852 NH2 ARG A 166 -22.070 -31.354 -2.837 1.00 0.00 N ATOM 0 H ARG A 166 -21.600 -28.087 -7.421 1.00 0.00 H new ATOM 0 HA ARG A 166 -24.082 -28.373 -8.894 1.00 0.00 H new ATOM 0 HB2 ARG A 166 -25.074 -28.512 -6.680 1.00 0.00 H new ATOM 0 HB3 ARG A 166 -23.597 -29.456 -6.652 1.00 0.00 H new ATOM 0 HG2 ARG A 166 -22.430 -27.453 -5.595 1.00 0.00 H new ATOM 0 HG3 ARG A 166 -23.993 -26.669 -5.484 1.00 0.00 H new ATOM 0 HD2 ARG A 166 -23.589 -27.647 -3.337 1.00 0.00 H new ATOM 0 HD3 ARG A 166 -24.805 -28.650 -4.104 1.00 0.00 H new ATOM 0 HE ARG A 166 -22.206 -29.726 -4.693 1.00 0.00 H new ATOM 0 HH11 ARG A 166 -24.580 -29.502 -2.054 1.00 0.00 H new ATOM 0 HH12 ARG A 166 -23.917 -30.901 -1.204 1.00 0.00 H new ATOM 0 HH21 ARG A 166 -21.353 -31.461 -3.555 1.00 0.00 H new ATOM 0 HH22 ARG A 166 -22.104 -32.001 -2.049 1.00 0.00 H new ATOM 866 N ASN A 167 -25.331 -26.156 -8.331 1.00 0.00 N ATOM 867 CA ASN A 167 -25.972 -24.830 -8.351 1.00 0.00 C ATOM 868 C ASN A 167 -26.499 -24.502 -6.934 1.00 0.00 C ATOM 869 O ASN A 167 -27.381 -25.202 -6.422 1.00 0.00 O ATOM 870 CB ASN A 167 -27.130 -24.840 -9.402 1.00 0.00 C ATOM 871 CG ASN A 167 -27.816 -23.476 -9.631 1.00 0.00 C ATOM 872 OD1 ASN A 167 -27.871 -22.621 -8.754 1.00 0.00 O ATOM 873 ND2 ASN A 167 -28.363 -23.272 -10.822 1.00 0.00 N ATOM 0 H ASN A 167 -25.993 -26.923 -8.449 1.00 0.00 H new ATOM 0 HA ASN A 167 -25.256 -24.060 -8.637 1.00 0.00 H new ATOM 0 HB2 ASN A 167 -26.734 -25.195 -10.353 1.00 0.00 H new ATOM 0 HB3 ASN A 167 -27.884 -25.560 -9.083 1.00 0.00 H new ATOM 0 HD21 ASN A 167 -28.839 -22.392 -11.020 1.00 0.00 H new ATOM 0 HD22 ASN A 167 -28.307 -23.995 -11.539 1.00 0.00 H new ATOM 880 N LEU A 168 -25.935 -23.456 -6.301 1.00 0.00 N ATOM 881 CA LEU A 168 -26.383 -22.987 -4.969 1.00 0.00 C ATOM 882 C LEU A 168 -27.404 -21.840 -5.117 1.00 0.00 C ATOM 883 O LEU A 168 -27.289 -21.002 -6.022 1.00 0.00 O ATOM 884 CB LEU A 168 -25.179 -22.517 -4.103 1.00 0.00 C ATOM 885 CG LEU A 168 -24.115 -23.606 -3.739 1.00 0.00 C ATOM 886 CD1 LEU A 168 -23.020 -23.027 -2.812 1.00 0.00 C ATOM 887 CD2 LEU A 168 -24.777 -24.849 -3.095 1.00 0.00 C ATOM 0 H LEU A 168 -25.163 -22.915 -6.691 1.00 0.00 H new ATOM 0 HA LEU A 168 -26.860 -23.827 -4.464 1.00 0.00 H new ATOM 0 HB2 LEU A 168 -24.673 -21.709 -4.631 1.00 0.00 H new ATOM 0 HB3 LEU A 168 -25.569 -22.097 -3.176 1.00 0.00 H new ATOM 0 HG LEU A 168 -23.641 -23.923 -4.668 1.00 0.00 H new ATOM 0 HD11 LEU A 168 -22.295 -23.805 -2.575 1.00 0.00 H new ATOM 0 HD12 LEU A 168 -22.516 -22.202 -3.315 1.00 0.00 H new ATOM 0 HD13 LEU A 168 -23.477 -22.665 -1.891 1.00 0.00 H new ATOM 0 HD21 LEU A 168 -24.011 -25.586 -2.854 1.00 0.00 H new ATOM 0 HD22 LEU A 168 -25.295 -24.554 -2.183 1.00 0.00 H new ATOM 0 HD23 LEU A 168 -25.492 -25.284 -3.794 1.00 0.00 H new ATOM 899 N ASP A 169 -28.398 -21.814 -4.210 1.00 0.00 N ATOM 900 CA ASP A 169 -29.412 -20.742 -4.138 1.00 0.00 C ATOM 901 C ASP A 169 -28.796 -19.488 -3.483 1.00 0.00 C ATOM 902 O ASP A 169 -28.952 -19.223 -2.287 1.00 0.00 O ATOM 903 CB ASP A 169 -30.699 -21.245 -3.406 1.00 0.00 C ATOM 904 CG ASP A 169 -30.448 -21.905 -2.029 1.00 0.00 C ATOM 905 OD1 ASP A 169 -29.936 -23.052 -2.000 1.00 0.00 O ATOM 906 OD2 ASP A 169 -30.767 -21.299 -0.982 1.00 0.00 O ATOM 0 H ASP A 169 -28.522 -22.538 -3.503 1.00 0.00 H new ATOM 0 HA ASP A 169 -29.725 -20.462 -5.144 1.00 0.00 H new ATOM 0 HB2 ASP A 169 -31.376 -20.401 -3.271 1.00 0.00 H new ATOM 0 HB3 ASP A 169 -31.209 -21.962 -4.049 1.00 0.00 H new ATOM 911 N LYS A 170 -28.068 -18.735 -4.314 1.00 0.00 N ATOM 912 CA LYS A 170 -27.250 -17.588 -3.898 1.00 0.00 C ATOM 913 C LYS A 170 -28.129 -16.416 -3.431 1.00 0.00 C ATOM 914 O LYS A 170 -27.866 -15.817 -2.385 1.00 0.00 O ATOM 915 CB LYS A 170 -26.357 -17.176 -5.088 1.00 0.00 C ATOM 916 CG LYS A 170 -25.402 -15.991 -4.835 1.00 0.00 C ATOM 917 CD LYS A 170 -24.462 -15.752 -6.032 1.00 0.00 C ATOM 918 CE LYS A 170 -23.380 -14.695 -5.767 1.00 0.00 C ATOM 919 NZ LYS A 170 -22.372 -14.674 -6.854 1.00 0.00 N ATOM 0 H LYS A 170 -28.029 -18.909 -5.318 1.00 0.00 H new ATOM 0 HA LYS A 170 -26.627 -17.869 -3.049 1.00 0.00 H new ATOM 0 HB2 LYS A 170 -25.762 -18.039 -5.387 1.00 0.00 H new ATOM 0 HB3 LYS A 170 -27.001 -16.925 -5.931 1.00 0.00 H new ATOM 0 HG2 LYS A 170 -25.984 -15.089 -4.643 1.00 0.00 H new ATOM 0 HG3 LYS A 170 -24.810 -16.185 -3.940 1.00 0.00 H new ATOM 0 HD2 LYS A 170 -23.980 -16.693 -6.298 1.00 0.00 H new ATOM 0 HD3 LYS A 170 -25.056 -15.443 -6.893 1.00 0.00 H new ATOM 0 HE2 LYS A 170 -23.843 -13.712 -5.678 1.00 0.00 H new ATOM 0 HE3 LYS A 170 -22.889 -14.904 -4.816 1.00 0.00 H new ATOM 0 HZ1 LYS A 170 -21.723 -13.875 -6.710 1.00 0.00 H new ATOM 0 HZ2 LYS A 170 -21.833 -15.564 -6.845 1.00 0.00 H new ATOM 0 HZ3 LYS A 170 -22.852 -14.569 -7.771 1.00 0.00 H new ATOM 933 N GLU A 171 -29.173 -16.116 -4.223 1.00 0.00 N ATOM 934 CA GLU A 171 -30.142 -15.038 -3.933 1.00 0.00 C ATOM 935 C GLU A 171 -30.896 -15.312 -2.619 1.00 0.00 C ATOM 936 O GLU A 171 -31.105 -14.402 -1.815 1.00 0.00 O ATOM 937 CB GLU A 171 -31.127 -14.873 -5.124 1.00 0.00 C ATOM 938 CG GLU A 171 -31.995 -16.116 -5.427 1.00 0.00 C ATOM 939 CD GLU A 171 -32.755 -16.018 -6.760 1.00 0.00 C ATOM 940 OE1 GLU A 171 -32.152 -16.306 -7.817 1.00 0.00 O ATOM 941 OE2 GLU A 171 -33.946 -15.644 -6.759 1.00 0.00 O ATOM 0 H GLU A 171 -29.372 -16.617 -5.089 1.00 0.00 H new ATOM 0 HA GLU A 171 -29.596 -14.103 -3.806 1.00 0.00 H new ATOM 0 HB2 GLU A 171 -31.786 -14.029 -4.918 1.00 0.00 H new ATOM 0 HB3 GLU A 171 -30.555 -14.620 -6.017 1.00 0.00 H new ATOM 0 HG2 GLU A 171 -31.357 -17.000 -5.445 1.00 0.00 H new ATOM 0 HG3 GLU A 171 -32.712 -16.256 -4.618 1.00 0.00 H new ATOM 948 N ARG A 172 -31.235 -16.592 -2.399 1.00 0.00 N ATOM 949 CA ARG A 172 -31.953 -17.050 -1.199 1.00 0.00 C ATOM 950 C ARG A 172 -31.031 -17.017 0.035 1.00 0.00 C ATOM 951 O ARG A 172 -31.501 -16.833 1.153 1.00 0.00 O ATOM 952 CB ARG A 172 -32.510 -18.478 -1.426 1.00 0.00 C ATOM 953 CG ARG A 172 -33.594 -18.598 -2.520 1.00 0.00 C ATOM 954 CD ARG A 172 -34.884 -17.845 -2.156 1.00 0.00 C ATOM 955 NE ARG A 172 -35.932 -18.018 -3.184 1.00 0.00 N ATOM 956 CZ ARG A 172 -37.212 -18.372 -2.950 1.00 0.00 C ATOM 957 NH1 ARG A 172 -37.622 -18.670 -1.716 1.00 0.00 N ATOM 958 NH2 ARG A 172 -38.062 -18.457 -3.962 1.00 0.00 N ATOM 0 H ARG A 172 -31.017 -17.343 -3.053 1.00 0.00 H new ATOM 0 HA ARG A 172 -32.788 -16.374 -1.014 1.00 0.00 H new ATOM 0 HB2 ARG A 172 -31.681 -19.136 -1.685 1.00 0.00 H new ATOM 0 HB3 ARG A 172 -32.924 -18.842 -0.486 1.00 0.00 H new ATOM 0 HG2 ARG A 172 -33.202 -18.208 -3.459 1.00 0.00 H new ATOM 0 HG3 ARG A 172 -33.825 -19.650 -2.684 1.00 0.00 H new ATOM 0 HD2 ARG A 172 -35.255 -18.203 -1.196 1.00 0.00 H new ATOM 0 HD3 ARG A 172 -34.664 -16.784 -2.037 1.00 0.00 H new ATOM 0 HE ARG A 172 -35.664 -17.856 -4.155 1.00 0.00 H new ATOM 0 HH11 ARG A 172 -36.965 -18.631 -0.937 1.00 0.00 H new ATOM 0 HH12 ARG A 172 -38.593 -18.936 -1.552 1.00 0.00 H new ATOM 0 HH21 ARG A 172 -37.747 -18.255 -4.911 1.00 0.00 H new ATOM 0 HH22 ARG A 172 -39.032 -18.724 -3.792 1.00 0.00 H new ATOM 972 N ALA A 173 -29.720 -17.201 -0.200 1.00 0.00 N ATOM 973 CA ALA A 173 -28.681 -17.099 0.847 1.00 0.00 C ATOM 974 C ALA A 173 -28.522 -15.644 1.326 1.00 0.00 C ATOM 975 O ALA A 173 -28.317 -15.388 2.530 1.00 0.00 O ATOM 976 CB ALA A 173 -27.347 -17.654 0.322 1.00 0.00 C ATOM 0 H ALA A 173 -29.347 -17.425 -1.123 1.00 0.00 H new ATOM 0 HA ALA A 173 -28.992 -17.696 1.704 1.00 0.00 H new ATOM 0 HB1 ALA A 173 -26.588 -17.574 1.100 1.00 0.00 H new ATOM 0 HB2 ALA A 173 -27.473 -18.700 0.043 1.00 0.00 H new ATOM 0 HB3 ALA A 173 -27.033 -17.081 -0.551 1.00 0.00 H new ATOM 982 N VAL A 174 -28.610 -14.696 0.362 1.00 0.00 N ATOM 983 CA VAL A 174 -28.589 -13.249 0.649 1.00 0.00 C ATOM 984 C VAL A 174 -29.783 -12.898 1.543 1.00 0.00 C ATOM 985 O VAL A 174 -29.610 -12.343 2.636 1.00 0.00 O ATOM 986 CB VAL A 174 -28.625 -12.364 -0.661 1.00 0.00 C ATOM 987 CG1 VAL A 174 -28.565 -10.855 -0.321 1.00 0.00 C ATOM 988 CG2 VAL A 174 -27.490 -12.738 -1.642 1.00 0.00 C ATOM 0 H VAL A 174 -28.697 -14.916 -0.630 1.00 0.00 H new ATOM 0 HA VAL A 174 -27.649 -13.028 1.155 1.00 0.00 H new ATOM 0 HB VAL A 174 -29.575 -12.571 -1.155 1.00 0.00 H new ATOM 0 HG11 VAL A 174 -28.591 -10.273 -1.242 1.00 0.00 H new ATOM 0 HG12 VAL A 174 -29.419 -10.588 0.301 1.00 0.00 H new ATOM 0 HG13 VAL A 174 -27.642 -10.640 0.218 1.00 0.00 H new ATOM 0 HG21 VAL A 174 -27.552 -12.106 -2.528 1.00 0.00 H new ATOM 0 HG22 VAL A 174 -26.526 -12.589 -1.156 1.00 0.00 H new ATOM 0 HG23 VAL A 174 -27.591 -13.783 -1.934 1.00 0.00 H new ATOM 998 N LEU A 175 -30.970 -13.324 1.080 1.00 0.00 N ATOM 999 CA LEU A 175 -32.250 -13.086 1.756 1.00 0.00 C ATOM 1000 C LEU A 175 -32.261 -13.662 3.179 1.00 0.00 C ATOM 1001 O LEU A 175 -32.607 -12.961 4.114 1.00 0.00 O ATOM 1002 CB LEU A 175 -33.411 -13.691 0.927 1.00 0.00 C ATOM 1003 CG LEU A 175 -33.642 -13.051 -0.477 1.00 0.00 C ATOM 1004 CD1 LEU A 175 -34.779 -13.765 -1.239 1.00 0.00 C ATOM 1005 CD2 LEU A 175 -33.899 -11.529 -0.358 1.00 0.00 C ATOM 0 H LEU A 175 -31.065 -13.851 0.212 1.00 0.00 H new ATOM 0 HA LEU A 175 -32.385 -12.007 1.836 1.00 0.00 H new ATOM 0 HB2 LEU A 175 -33.222 -14.756 0.794 1.00 0.00 H new ATOM 0 HB3 LEU A 175 -34.331 -13.600 1.504 1.00 0.00 H new ATOM 0 HG LEU A 175 -32.731 -13.184 -1.060 1.00 0.00 H new ATOM 0 HD11 LEU A 175 -34.915 -13.295 -2.213 1.00 0.00 H new ATOM 0 HD12 LEU A 175 -34.522 -14.815 -1.375 1.00 0.00 H new ATOM 0 HD13 LEU A 175 -35.704 -13.689 -0.667 1.00 0.00 H new ATOM 0 HD21 LEU A 175 -34.057 -11.108 -1.351 1.00 0.00 H new ATOM 0 HD22 LEU A 175 -34.784 -11.356 0.254 1.00 0.00 H new ATOM 0 HD23 LEU A 175 -33.037 -11.050 0.107 1.00 0.00 H new ATOM 1017 N LEU A 176 -31.824 -14.917 3.311 1.00 0.00 N ATOM 1018 CA LEU A 176 -31.863 -15.676 4.578 1.00 0.00 C ATOM 1019 C LEU A 176 -31.084 -14.970 5.704 1.00 0.00 C ATOM 1020 O LEU A 176 -31.627 -14.724 6.789 1.00 0.00 O ATOM 1021 CB LEU A 176 -31.306 -17.105 4.335 1.00 0.00 C ATOM 1022 CG LEU A 176 -31.255 -18.075 5.558 1.00 0.00 C ATOM 1023 CD1 LEU A 176 -32.622 -18.171 6.276 1.00 0.00 C ATOM 1024 CD2 LEU A 176 -30.769 -19.475 5.111 1.00 0.00 C ATOM 0 H LEU A 176 -31.427 -15.447 2.535 1.00 0.00 H new ATOM 0 HA LEU A 176 -32.900 -15.736 4.908 1.00 0.00 H new ATOM 0 HB2 LEU A 176 -31.910 -17.574 3.558 1.00 0.00 H new ATOM 0 HB3 LEU A 176 -30.295 -17.009 3.939 1.00 0.00 H new ATOM 0 HG LEU A 176 -30.544 -17.667 6.276 1.00 0.00 H new ATOM 0 HD11 LEU A 176 -32.542 -18.856 7.120 1.00 0.00 H new ATOM 0 HD12 LEU A 176 -32.914 -17.184 6.635 1.00 0.00 H new ATOM 0 HD13 LEU A 176 -33.374 -18.541 5.579 1.00 0.00 H new ATOM 0 HD21 LEU A 176 -30.738 -20.142 5.973 1.00 0.00 H new ATOM 0 HD22 LEU A 176 -31.455 -19.877 4.366 1.00 0.00 H new ATOM 0 HD23 LEU A 176 -29.771 -19.393 4.679 1.00 0.00 H new ATOM 1036 N GLN A 177 -29.830 -14.613 5.413 1.00 0.00 N ATOM 1037 CA GLN A 177 -28.923 -14.020 6.414 1.00 0.00 C ATOM 1038 C GLN A 177 -29.296 -12.560 6.745 1.00 0.00 C ATOM 1039 O GLN A 177 -29.159 -12.127 7.905 1.00 0.00 O ATOM 1040 CB GLN A 177 -27.461 -14.136 5.927 1.00 0.00 C ATOM 1041 CG GLN A 177 -26.987 -15.593 5.732 1.00 0.00 C ATOM 1042 CD GLN A 177 -26.941 -16.422 7.029 1.00 0.00 C ATOM 1043 OE1 GLN A 177 -26.650 -15.907 8.111 1.00 0.00 O ATOM 1044 NE2 GLN A 177 -27.233 -17.714 6.932 1.00 0.00 N ATOM 0 H GLN A 177 -29.413 -14.723 4.489 1.00 0.00 H new ATOM 0 HA GLN A 177 -29.030 -14.580 7.343 1.00 0.00 H new ATOM 0 HB2 GLN A 177 -27.358 -13.600 4.984 1.00 0.00 H new ATOM 0 HB3 GLN A 177 -26.807 -13.643 6.647 1.00 0.00 H new ATOM 0 HG2 GLN A 177 -27.650 -16.087 5.022 1.00 0.00 H new ATOM 0 HG3 GLN A 177 -25.993 -15.583 5.285 1.00 0.00 H new ATOM 0 HE21 GLN A 177 -27.471 -18.116 6.025 1.00 0.00 H new ATOM 0 HE22 GLN A 177 -27.220 -18.304 7.764 1.00 0.00 H new ATOM 1053 N ARG A 178 -29.788 -11.807 5.732 1.00 0.00 N ATOM 1054 CA ARG A 178 -30.170 -10.395 5.933 1.00 0.00 C ATOM 1055 C ARG A 178 -31.466 -10.300 6.757 1.00 0.00 C ATOM 1056 O ARG A 178 -31.505 -9.576 7.731 1.00 0.00 O ATOM 1057 CB ARG A 178 -30.297 -9.600 4.596 1.00 0.00 C ATOM 1058 CG ARG A 178 -31.473 -9.986 3.674 1.00 0.00 C ATOM 1059 CD ARG A 178 -31.680 -8.999 2.514 1.00 0.00 C ATOM 1060 NE ARG A 178 -32.101 -7.678 3.005 1.00 0.00 N ATOM 1061 CZ ARG A 178 -32.259 -6.583 2.255 1.00 0.00 C ATOM 1062 NH1 ARG A 178 -32.026 -6.603 0.952 1.00 0.00 N ATOM 1063 NH2 ARG A 178 -32.647 -5.463 2.831 1.00 0.00 N ATOM 0 H ARG A 178 -29.927 -12.151 4.782 1.00 0.00 H new ATOM 0 HA ARG A 178 -29.359 -9.925 6.490 1.00 0.00 H new ATOM 0 HB2 ARG A 178 -30.385 -8.540 4.836 1.00 0.00 H new ATOM 0 HB3 ARG A 178 -29.370 -9.724 4.036 1.00 0.00 H new ATOM 0 HG2 ARG A 178 -31.297 -10.982 3.268 1.00 0.00 H new ATOM 0 HG3 ARG A 178 -32.387 -10.040 4.265 1.00 0.00 H new ATOM 0 HD2 ARG A 178 -30.754 -8.901 1.948 1.00 0.00 H new ATOM 0 HD3 ARG A 178 -32.432 -9.392 1.829 1.00 0.00 H new ATOM 0 HE ARG A 178 -32.289 -7.590 4.004 1.00 0.00 H new ATOM 0 HH11 ARG A 178 -31.720 -7.466 0.502 1.00 0.00 H new ATOM 0 HH12 ARG A 178 -32.153 -5.756 0.398 1.00 0.00 H new ATOM 0 HH21 ARG A 178 -32.822 -5.440 3.836 1.00 0.00 H new ATOM 0 HH22 ARG A 178 -32.772 -4.619 2.272 1.00 0.00 H new ATOM 1077 N ARG A 179 -32.498 -11.085 6.402 1.00 0.00 N ATOM 1078 CA ARG A 179 -33.808 -11.028 7.084 1.00 0.00 C ATOM 1079 C ARG A 179 -33.685 -11.535 8.524 1.00 0.00 C ATOM 1080 O ARG A 179 -34.409 -11.085 9.408 1.00 0.00 O ATOM 1081 CB ARG A 179 -34.888 -11.822 6.304 1.00 0.00 C ATOM 1082 CG ARG A 179 -34.713 -13.361 6.299 1.00 0.00 C ATOM 1083 CD ARG A 179 -35.689 -14.067 5.341 1.00 0.00 C ATOM 1084 NE ARG A 179 -35.507 -15.534 5.344 1.00 0.00 N ATOM 1085 CZ ARG A 179 -36.263 -16.410 6.022 1.00 0.00 C ATOM 1086 NH1 ARG A 179 -37.242 -15.992 6.823 1.00 0.00 N ATOM 1087 NH2 ARG A 179 -36.031 -17.708 5.888 1.00 0.00 N ATOM 0 H ARG A 179 -32.453 -11.768 5.646 1.00 0.00 H new ATOM 0 HA ARG A 179 -34.127 -9.986 7.113 1.00 0.00 H new ATOM 0 HB2 ARG A 179 -35.864 -11.587 6.728 1.00 0.00 H new ATOM 0 HB3 ARG A 179 -34.896 -11.472 5.272 1.00 0.00 H new ATOM 0 HG2 ARG A 179 -33.690 -13.605 6.014 1.00 0.00 H new ATOM 0 HG3 ARG A 179 -34.862 -13.743 7.309 1.00 0.00 H new ATOM 0 HD2 ARG A 179 -36.713 -13.829 5.627 1.00 0.00 H new ATOM 0 HD3 ARG A 179 -35.543 -13.686 4.330 1.00 0.00 H new ATOM 0 HE ARG A 179 -34.743 -15.911 4.784 1.00 0.00 H new ATOM 0 HH11 ARG A 179 -37.425 -14.994 6.927 1.00 0.00 H new ATOM 0 HH12 ARG A 179 -37.809 -16.670 7.332 1.00 0.00 H new ATOM 0 HH21 ARG A 179 -35.284 -18.032 5.274 1.00 0.00 H new ATOM 0 HH22 ARG A 179 -36.600 -18.383 6.399 1.00 0.00 H new ATOM 1101 N LYS A 180 -32.736 -12.458 8.746 1.00 0.00 N ATOM 1102 CA LYS A 180 -32.437 -12.978 10.085 1.00 0.00 C ATOM 1103 C LYS A 180 -31.889 -11.858 11.002 1.00 0.00 C ATOM 1104 O LYS A 180 -32.324 -11.735 12.150 1.00 0.00 O ATOM 1105 CB LYS A 180 -31.451 -14.175 9.998 1.00 0.00 C ATOM 1106 CG LYS A 180 -31.160 -14.859 11.349 1.00 0.00 C ATOM 1107 CD LYS A 180 -30.340 -16.166 11.208 1.00 0.00 C ATOM 1108 CE LYS A 180 -28.941 -15.955 10.601 1.00 0.00 C ATOM 1109 NZ LYS A 180 -28.177 -17.229 10.519 1.00 0.00 N ATOM 0 H LYS A 180 -32.160 -12.861 8.007 1.00 0.00 H new ATOM 0 HA LYS A 180 -33.364 -13.341 10.529 1.00 0.00 H new ATOM 0 HB2 LYS A 180 -31.858 -14.916 9.310 1.00 0.00 H new ATOM 0 HB3 LYS A 180 -30.511 -13.825 9.571 1.00 0.00 H new ATOM 0 HG2 LYS A 180 -30.617 -14.165 11.991 1.00 0.00 H new ATOM 0 HG3 LYS A 180 -32.104 -15.082 11.847 1.00 0.00 H new ATOM 0 HD2 LYS A 180 -30.235 -16.626 12.190 1.00 0.00 H new ATOM 0 HD3 LYS A 180 -30.895 -16.867 10.585 1.00 0.00 H new ATOM 0 HE2 LYS A 180 -29.038 -15.525 9.604 1.00 0.00 H new ATOM 0 HE3 LYS A 180 -28.387 -15.237 11.206 1.00 0.00 H new ATOM 0 HZ1 LYS A 180 -27.466 -17.159 9.764 1.00 0.00 H new ATOM 0 HZ2 LYS A 180 -27.702 -17.408 11.427 1.00 0.00 H new ATOM 0 HZ3 LYS A 180 -28.829 -18.012 10.309 1.00 0.00 H new ATOM 1123 N ARG A 181 -30.952 -11.019 10.480 1.00 0.00 N ATOM 1124 CA ARG A 181 -30.383 -9.890 11.267 1.00 0.00 C ATOM 1125 C ARG A 181 -31.386 -8.708 11.365 1.00 0.00 C ATOM 1126 O ARG A 181 -31.398 -7.980 12.364 1.00 0.00 O ATOM 1127 CB ARG A 181 -29.015 -9.412 10.687 1.00 0.00 C ATOM 1128 CG ARG A 181 -29.077 -8.647 9.347 1.00 0.00 C ATOM 1129 CD ARG A 181 -27.710 -8.119 8.884 1.00 0.00 C ATOM 1130 NE ARG A 181 -27.779 -7.368 7.611 1.00 0.00 N ATOM 1131 CZ ARG A 181 -26.732 -6.761 7.014 1.00 0.00 C ATOM 1132 NH1 ARG A 181 -25.532 -6.752 7.585 1.00 0.00 N ATOM 1133 NH2 ARG A 181 -26.906 -6.140 5.858 1.00 0.00 N ATOM 0 H ARG A 181 -30.580 -11.101 9.534 1.00 0.00 H new ATOM 0 HA ARG A 181 -30.201 -10.262 12.275 1.00 0.00 H new ATOM 0 HB2 ARG A 181 -28.534 -8.772 11.426 1.00 0.00 H new ATOM 0 HB3 ARG A 181 -28.374 -10.284 10.555 1.00 0.00 H new ATOM 0 HG2 ARG A 181 -29.483 -9.306 8.579 1.00 0.00 H new ATOM 0 HG3 ARG A 181 -29.767 -7.809 9.446 1.00 0.00 H new ATOM 0 HD2 ARG A 181 -27.295 -7.473 9.658 1.00 0.00 H new ATOM 0 HD3 ARG A 181 -27.024 -8.958 8.767 1.00 0.00 H new ATOM 0 HE ARG A 181 -28.687 -7.304 7.150 1.00 0.00 H new ATOM 0 HH11 ARG A 181 -25.393 -7.208 8.487 1.00 0.00 H new ATOM 0 HH12 ARG A 181 -24.750 -6.289 7.122 1.00 0.00 H new ATOM 0 HH21 ARG A 181 -27.828 -6.122 5.423 1.00 0.00 H new ATOM 0 HH22 ARG A 181 -26.118 -5.680 5.403 1.00 0.00 H new ATOM 1147 N GLU A 182 -32.244 -8.554 10.333 1.00 0.00 N ATOM 1148 CA GLU A 182 -33.225 -7.447 10.241 1.00 0.00 C ATOM 1149 C GLU A 182 -34.494 -7.735 11.069 1.00 0.00 C ATOM 1150 O GLU A 182 -35.265 -6.817 11.367 1.00 0.00 O ATOM 1151 CB GLU A 182 -33.594 -7.189 8.752 1.00 0.00 C ATOM 1152 CG GLU A 182 -32.421 -6.661 7.895 1.00 0.00 C ATOM 1153 CD GLU A 182 -32.739 -6.555 6.389 1.00 0.00 C ATOM 1154 OE1 GLU A 182 -33.326 -7.504 5.817 1.00 0.00 O ATOM 1155 OE2 GLU A 182 -32.374 -5.537 5.757 1.00 0.00 O ATOM 0 H GLU A 182 -32.277 -9.193 9.539 1.00 0.00 H new ATOM 0 HA GLU A 182 -32.762 -6.553 10.658 1.00 0.00 H new ATOM 0 HB2 GLU A 182 -33.962 -8.117 8.314 1.00 0.00 H new ATOM 0 HB3 GLU A 182 -34.413 -6.471 8.711 1.00 0.00 H new ATOM 0 HG2 GLU A 182 -32.129 -5.678 8.264 1.00 0.00 H new ATOM 0 HG3 GLU A 182 -31.562 -7.319 8.029 1.00 0.00 H new ATOM 1162 N ASN A 183 -34.720 -9.019 11.416 1.00 0.00 N ATOM 1163 CA ASN A 183 -35.842 -9.443 12.294 1.00 0.00 C ATOM 1164 C ASN A 183 -35.323 -9.969 13.647 1.00 0.00 C ATOM 1165 O ASN A 183 -36.100 -10.497 14.449 1.00 0.00 O ATOM 1166 CB ASN A 183 -36.737 -10.504 11.584 1.00 0.00 C ATOM 1167 CG ASN A 183 -37.584 -9.911 10.444 1.00 0.00 C ATOM 1168 OD1 ASN A 183 -38.671 -9.387 10.671 1.00 0.00 O ATOM 1169 ND2 ASN A 183 -37.107 -10.002 9.209 1.00 0.00 N ATOM 0 H ASN A 183 -34.135 -9.792 11.099 1.00 0.00 H new ATOM 0 HA ASN A 183 -36.458 -8.566 12.494 1.00 0.00 H new ATOM 0 HB2 ASN A 183 -36.104 -11.296 11.184 1.00 0.00 H new ATOM 0 HB3 ASN A 183 -37.398 -10.964 12.319 1.00 0.00 H new ATOM 0 HD21 ASN A 183 -37.646 -9.633 8.426 1.00 0.00 H new ATOM 0 HD22 ASN A 183 -36.202 -10.441 9.043 1.00 0.00 H new ATOM 1176 N MET A 184 -34.008 -9.809 13.901 1.00 0.00 N ATOM 1177 CA MET A 184 -33.397 -10.139 15.204 1.00 0.00 C ATOM 1178 C MET A 184 -33.755 -9.040 16.231 1.00 0.00 C ATOM 1179 O MET A 184 -33.199 -7.934 16.179 1.00 0.00 O ATOM 1180 CB MET A 184 -31.849 -10.308 15.063 1.00 0.00 C ATOM 1181 CG MET A 184 -31.099 -10.553 16.385 1.00 0.00 C ATOM 1182 SD MET A 184 -31.629 -12.063 17.227 1.00 0.00 S ATOM 1183 CE MET A 184 -30.683 -11.994 18.754 1.00 0.00 C ATOM 0 H MET A 184 -33.345 -9.450 13.214 1.00 0.00 H new ATOM 0 HA MET A 184 -33.794 -11.090 15.559 1.00 0.00 H new ATOM 0 HB2 MET A 184 -31.649 -11.141 14.389 1.00 0.00 H new ATOM 0 HB3 MET A 184 -31.442 -9.413 14.592 1.00 0.00 H new ATOM 0 HG2 MET A 184 -30.029 -10.612 16.184 1.00 0.00 H new ATOM 0 HG3 MET A 184 -31.253 -9.701 17.047 1.00 0.00 H new ATOM 0 HE1 MET A 184 -30.915 -12.866 19.366 1.00 0.00 H new ATOM 0 HE2 MET A 184 -29.618 -11.987 18.522 1.00 0.00 H new ATOM 0 HE3 MET A 184 -30.941 -11.088 19.301 1.00 0.00 H new ATOM 1193 N SER A 185 -34.725 -9.334 17.122 1.00 0.00 N ATOM 1194 CA SER A 185 -35.146 -8.405 18.183 1.00 0.00 C ATOM 1195 C SER A 185 -34.131 -8.433 19.337 1.00 0.00 C ATOM 1196 O SER A 185 -34.020 -9.435 20.058 1.00 0.00 O ATOM 1197 CB SER A 185 -36.572 -8.747 18.679 1.00 0.00 C ATOM 1198 OG SER A 185 -36.683 -10.100 19.086 1.00 0.00 O ATOM 0 H SER A 185 -35.234 -10.218 17.124 1.00 0.00 H new ATOM 0 HA SER A 185 -35.175 -7.394 17.776 1.00 0.00 H new ATOM 0 HB2 SER A 185 -36.832 -8.095 19.513 1.00 0.00 H new ATOM 0 HB3 SER A 185 -37.290 -8.548 17.883 1.00 0.00 H new ATOM 0 HG SER A 185 -35.855 -10.377 19.531 1.00 0.00 H new ATOM 1204 N ASP A 186 -33.363 -7.343 19.453 1.00 0.00 N ATOM 1205 CA ASP A 186 -32.361 -7.156 20.516 1.00 0.00 C ATOM 1206 C ASP A 186 -33.063 -6.891 21.863 1.00 0.00 C ATOM 1207 O ASP A 186 -33.945 -6.025 21.939 1.00 0.00 O ATOM 1208 CB ASP A 186 -31.425 -5.975 20.135 1.00 0.00 C ATOM 1209 CG ASP A 186 -30.257 -5.762 21.119 1.00 0.00 C ATOM 1210 OD1 ASP A 186 -29.277 -6.540 21.069 1.00 0.00 O ATOM 1211 OD2 ASP A 186 -30.307 -4.813 21.939 1.00 0.00 O ATOM 0 H ASP A 186 -33.418 -6.556 18.806 1.00 0.00 H new ATOM 0 HA ASP A 186 -31.762 -8.060 20.621 1.00 0.00 H new ATOM 0 HB2 ASP A 186 -31.020 -6.152 19.138 1.00 0.00 H new ATOM 0 HB3 ASP A 186 -32.014 -5.060 20.082 1.00 0.00 H new ATOM 1216 N GLY A 187 -32.671 -7.643 22.905 1.00 0.00 N ATOM 1217 CA GLY A 187 -33.254 -7.493 24.237 1.00 0.00 C ATOM 1218 C GLY A 187 -32.603 -8.424 25.249 1.00 0.00 C ATOM 1219 O GLY A 187 -31.568 -8.079 25.833 1.00 0.00 O ATOM 0 H GLY A 187 -31.950 -8.362 22.844 1.00 0.00 H new ATOM 0 HA2 GLY A 187 -33.141 -6.461 24.568 1.00 0.00 H new ATOM 0 HA3 GLY A 187 -34.324 -7.698 24.190 1.00 0.00 H new ATOM 1223 N ASP A 188 -33.205 -9.612 25.440 1.00 0.00 N ATOM 1224 CA ASP A 188 -32.721 -10.619 26.405 1.00 0.00 C ATOM 1225 C ASP A 188 -31.502 -11.368 25.811 1.00 0.00 C ATOM 1226 O ASP A 188 -30.368 -11.179 26.303 1.00 0.00 O ATOM 1227 CB ASP A 188 -33.864 -11.609 26.784 1.00 0.00 C ATOM 1228 CG ASP A 188 -33.459 -12.612 27.891 1.00 0.00 C ATOM 1229 OD1 ASP A 188 -33.455 -12.227 29.081 1.00 0.00 O ATOM 1230 OD2 ASP A 188 -33.137 -13.781 27.578 1.00 0.00 O ATOM 1231 OXT ASP A 188 -31.678 -12.114 24.822 1.00 0.00 O ATOM 0 H ASP A 188 -34.040 -9.902 24.931 1.00 0.00 H new ATOM 0 HA ASP A 188 -32.405 -10.116 27.319 1.00 0.00 H new ATOM 0 HB2 ASP A 188 -34.732 -11.041 27.117 1.00 0.00 H new ATOM 0 HB3 ASP A 188 -34.167 -12.162 25.895 1.00 0.00 H new TER 1236 ASP A 188 HETATM 1237 ZN ZN A 201 -23.665 -15.928 4.288 1.00 0.00 ZN HETATM 1238 ZN ZN A 202 -14.180 -21.463 -3.032 1.00 0.00 ZN