USER MOD reduce.3.24.130724 H: found=0, std=0, add=549, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 547 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 120 THR OG1 : rot 180:sc= 0.598 USER MOD Set 1.2: A 175 ASN : amide:sc= 1.44 K(o=2,f=0.61) USER MOD Set 2.1: A 172 HIS : no HD1:sc= 0.774 K(o=1.2,f=-3.2!) USER MOD Set 2.2: A 181 CYS SG : rot -139:sc= 0.389 USER MOD Set 3.1: A 139 MET CE :methyl 180:sc=-0.000164 (180deg=0) USER MOD Set 3.2: A 141 MET CE :methyl -160:sc= -0.0739 (180deg=-0.106) USER MOD Set 4.1: A 117 SER OG : rot 120:sc= 0.488 USER MOD Set 4.2: A 119 ASN : amide:sc= 0.486 K(o=0.97,f=0.038) USER MOD Single : A 109 LYS NZ :NH3+ 165:sc= 1.13 (180deg=0.958) USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 121 THR OG1 : rot 180:sc= 0 USER MOD Single : A 126 LYS NZ :NH3+ 156:sc= 0.922 (180deg=0.598) USER MOD Single : A 127 HIS : no HD1:sc= 0 X(o=0,f=-0.074) USER MOD Single : A 128 TYR OH : rot 180:sc= 0.0138 USER MOD Single : A 131 GLN : amide:sc= 0.821 K(o=0.82,f=0) USER MOD Single : A 134 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 149 HIS : no HD1:sc= 0.0905 K(o=0.09,f=-3.1!) USER MOD Single : A 156 THR OG1 : rot 180:sc= 0 USER MOD Single : A 159 SER OG : rot 62:sc= 1.26 USER MOD Single : A 165 LYS NZ :NH3+ -172:sc= 1.05 (180deg=1) USER MOD Single : A 167 CYS SG : rot -24:sc= -0.0281 USER MOD Single : A 170 HIS : no HD1:sc= 0.978 K(o=0.98,f=-3.2!) USER MOD Single : A 176 ASN : amide:sc= 1.09 K(o=1.1,f=0) USER MOD Single : A 177 LYS NZ :NH3+ 180:sc= 1.24 (180deg=1.24) USER MOD Single : A 178 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 182 LYS NZ :NH3+ -153:sc= 1.25 (180deg=1.02) USER MOD Single : A 183 LYS NZ :NH3+ -171:sc= 1.18 (180deg=1.03) USER MOD ----------------------------------------------------------------- ATOM 55 N LYS A 109 -1.464 8.952 0.704 1.00 0.00 N ATOM 56 CA LYS A 109 -2.209 7.855 0.053 1.00 0.00 C ATOM 57 C LYS A 109 -1.547 6.475 0.260 1.00 0.00 C ATOM 58 O LYS A 109 -1.460 5.684 -0.679 1.00 0.00 O ATOM 59 CB LYS A 109 -2.441 8.154 -1.442 1.00 0.00 C ATOM 60 CG LYS A 109 -3.301 9.394 -1.729 1.00 0.00 C ATOM 61 CD LYS A 109 -3.481 9.530 -3.248 1.00 0.00 C ATOM 62 CE LYS A 109 -4.265 10.792 -3.622 1.00 0.00 C ATOM 63 NZ LYS A 109 -4.294 10.988 -5.096 1.00 0.00 N ATOM 0 HA LYS A 109 -3.181 7.802 0.543 1.00 0.00 H new ATOM 0 HB2 LYS A 109 -1.473 8.282 -1.926 1.00 0.00 H new ATOM 0 HB3 LYS A 109 -2.915 7.287 -1.901 1.00 0.00 H new ATOM 0 HG2 LYS A 109 -4.271 9.302 -1.241 1.00 0.00 H new ATOM 0 HG3 LYS A 109 -2.824 10.286 -1.324 1.00 0.00 H new ATOM 0 HD2 LYS A 109 -2.503 9.555 -3.728 1.00 0.00 H new ATOM 0 HD3 LYS A 109 -4.002 8.653 -3.631 1.00 0.00 H new ATOM 0 HE2 LYS A 109 -5.284 10.717 -3.242 1.00 0.00 H new ATOM 0 HE3 LYS A 109 -3.811 11.661 -3.146 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 -5.026 11.685 -5.339 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 -3.367 11.333 -5.419 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 -4.509 10.084 -5.562 1.00 0.00 H new ATOM 77 N LYS A 110 -1.021 6.197 1.459 1.00 0.00 N ATOM 78 CA LYS A 110 -0.162 5.036 1.753 1.00 0.00 C ATOM 79 C LYS A 110 -0.591 4.294 3.021 1.00 0.00 C ATOM 80 O LYS A 110 -0.877 4.918 4.046 1.00 0.00 O ATOM 81 CB LYS A 110 1.307 5.504 1.821 1.00 0.00 C ATOM 82 CG LYS A 110 2.312 4.339 1.774 1.00 0.00 C ATOM 83 CD LYS A 110 3.778 4.810 1.759 1.00 0.00 C ATOM 84 CE LYS A 110 4.197 5.410 3.108 1.00 0.00 C ATOM 85 NZ LYS A 110 5.638 5.769 3.141 1.00 0.00 N ATOM 0 H LYS A 110 -1.183 6.787 2.275 1.00 0.00 H new ATOM 0 HA LYS A 110 -0.268 4.310 0.947 1.00 0.00 H new ATOM 0 HB2 LYS A 110 1.506 6.182 0.991 1.00 0.00 H new ATOM 0 HB3 LYS A 110 1.460 6.072 2.739 1.00 0.00 H new ATOM 0 HG2 LYS A 110 2.152 3.693 2.638 1.00 0.00 H new ATOM 0 HG3 LYS A 110 2.120 3.737 0.886 1.00 0.00 H new ATOM 0 HD2 LYS A 110 4.428 3.969 1.518 1.00 0.00 H new ATOM 0 HD3 LYS A 110 3.913 5.553 0.973 1.00 0.00 H new ATOM 0 HE2 LYS A 110 3.599 6.298 3.310 1.00 0.00 H new ATOM 0 HE3 LYS A 110 3.984 4.695 3.903 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 5.875 6.170 4.071 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 6.212 4.918 2.975 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 5.838 6.471 2.400 1.00 0.00 H new ATOM 99 N ILE A 111 -0.573 2.963 2.966 1.00 0.00 N ATOM 100 CA ILE A 111 -0.795 2.073 4.115 1.00 0.00 C ATOM 101 C ILE A 111 0.441 1.219 4.414 1.00 0.00 C ATOM 102 O ILE A 111 1.213 0.855 3.525 1.00 0.00 O ATOM 103 CB ILE A 111 -2.029 1.147 3.922 1.00 0.00 C ATOM 104 CG1 ILE A 111 -1.787 0.078 2.832 1.00 0.00 C ATOM 105 CG2 ILE A 111 -3.294 1.972 3.646 1.00 0.00 C ATOM 106 CD1 ILE A 111 -2.986 -0.815 2.494 1.00 0.00 C ATOM 0 H ILE A 111 -0.399 2.455 2.099 1.00 0.00 H new ATOM 0 HA ILE A 111 -0.991 2.728 4.964 1.00 0.00 H new ATOM 0 HB ILE A 111 -2.184 0.606 4.855 1.00 0.00 H new ATOM 0 HG12 ILE A 111 -1.465 0.582 1.921 1.00 0.00 H new ATOM 0 HG13 ILE A 111 -0.962 -0.559 3.152 1.00 0.00 H new ATOM 0 HG21 ILE A 111 -4.144 1.302 3.514 1.00 0.00 H new ATOM 0 HG22 ILE A 111 -3.484 2.639 4.487 1.00 0.00 H new ATOM 0 HG23 ILE A 111 -3.153 2.562 2.740 1.00 0.00 H new ATOM 0 HD11 ILE A 111 -2.703 -1.527 1.718 1.00 0.00 H new ATOM 0 HD12 ILE A 111 -3.299 -1.357 3.386 1.00 0.00 H new ATOM 0 HD13 ILE A 111 -3.810 -0.198 2.136 1.00 0.00 H new ATOM 118 N PHE A 112 0.586 0.896 5.692 1.00 0.00 N ATOM 119 CA PHE A 112 1.439 -0.145 6.237 1.00 0.00 C ATOM 120 C PHE A 112 0.664 -1.468 6.203 1.00 0.00 C ATOM 121 O PHE A 112 -0.526 -1.493 6.537 1.00 0.00 O ATOM 122 CB PHE A 112 1.824 0.222 7.676 1.00 0.00 C ATOM 123 CG PHE A 112 2.599 -0.845 8.431 1.00 0.00 C ATOM 124 CD1 PHE A 112 4.001 -0.781 8.482 1.00 0.00 C ATOM 125 CD2 PHE A 112 1.932 -1.880 9.116 1.00 0.00 C ATOM 126 CE1 PHE A 112 4.730 -1.713 9.233 1.00 0.00 C ATOM 127 CE2 PHE A 112 2.665 -2.826 9.853 1.00 0.00 C ATOM 128 CZ PHE A 112 4.065 -2.742 9.918 1.00 0.00 C ATOM 0 H PHE A 112 0.074 1.390 6.423 1.00 0.00 H new ATOM 0 HA PHE A 112 2.352 -0.246 5.651 1.00 0.00 H new ATOM 0 HB2 PHE A 112 2.420 1.134 7.654 1.00 0.00 H new ATOM 0 HB3 PHE A 112 0.914 0.449 8.232 1.00 0.00 H new ATOM 0 HD1 PHE A 112 4.522 -0.007 7.938 1.00 0.00 H new ATOM 0 HD2 PHE A 112 0.855 -1.947 9.075 1.00 0.00 H new ATOM 0 HE1 PHE A 112 5.806 -1.639 9.285 1.00 0.00 H new ATOM 0 HE2 PHE A 112 2.149 -3.621 10.371 1.00 0.00 H new ATOM 0 HZ PHE A 112 4.627 -3.465 10.491 1.00 0.00 H new ATOM 138 N VAL A 113 1.328 -2.563 5.838 1.00 0.00 N ATOM 139 CA VAL A 113 0.768 -3.917 5.819 1.00 0.00 C ATOM 140 C VAL A 113 1.679 -4.858 6.597 1.00 0.00 C ATOM 141 O VAL A 113 2.780 -5.156 6.140 1.00 0.00 O ATOM 142 CB VAL A 113 0.510 -4.417 4.384 1.00 0.00 C ATOM 143 CG1 VAL A 113 -0.246 -5.748 4.398 1.00 0.00 C ATOM 144 CG2 VAL A 113 -0.294 -3.404 3.564 1.00 0.00 C ATOM 0 H VAL A 113 2.302 -2.534 5.537 1.00 0.00 H new ATOM 0 HA VAL A 113 -0.206 -3.895 6.307 1.00 0.00 H new ATOM 0 HB VAL A 113 1.487 -4.551 3.920 1.00 0.00 H new ATOM 0 HG11 VAL A 113 -0.416 -6.080 3.374 1.00 0.00 H new ATOM 0 HG12 VAL A 113 0.343 -6.496 4.929 1.00 0.00 H new ATOM 0 HG13 VAL A 113 -1.204 -5.617 4.901 1.00 0.00 H new ATOM 0 HG21 VAL A 113 -0.454 -3.795 2.559 1.00 0.00 H new ATOM 0 HG22 VAL A 113 -1.257 -3.230 4.044 1.00 0.00 H new ATOM 0 HG23 VAL A 113 0.256 -2.465 3.505 1.00 0.00 H new ATOM 154 N GLY A 114 1.238 -5.293 7.778 1.00 0.00 N ATOM 155 CA GLY A 114 2.004 -6.151 8.689 1.00 0.00 C ATOM 156 C GLY A 114 1.425 -7.560 8.805 1.00 0.00 C ATOM 157 O GLY A 114 0.212 -7.743 8.734 1.00 0.00 O ATOM 0 H GLY A 114 0.315 -5.053 8.139 1.00 0.00 H new ATOM 0 HA2 GLY A 114 3.035 -6.215 8.340 1.00 0.00 H new ATOM 0 HA3 GLY A 114 2.030 -5.692 9.677 1.00 0.00 H new ATOM 161 N GLY A 115 2.285 -8.555 9.005 1.00 0.00 N ATOM 162 CA GLY A 115 1.923 -9.975 9.040 1.00 0.00 C ATOM 163 C GLY A 115 2.087 -10.699 7.698 1.00 0.00 C ATOM 164 O GLY A 115 1.620 -11.828 7.564 1.00 0.00 O ATOM 0 H GLY A 115 3.282 -8.395 9.152 1.00 0.00 H new ATOM 0 HA2 GLY A 115 2.537 -10.477 9.788 1.00 0.00 H new ATOM 0 HA3 GLY A 115 0.887 -10.066 9.365 1.00 0.00 H new ATOM 168 N LEU A 116 2.714 -10.076 6.695 1.00 0.00 N ATOM 169 CA LEU A 116 2.933 -10.663 5.365 1.00 0.00 C ATOM 170 C LEU A 116 3.811 -11.921 5.455 1.00 0.00 C ATOM 171 O LEU A 116 4.846 -11.910 6.126 1.00 0.00 O ATOM 172 CB LEU A 116 3.594 -9.613 4.448 1.00 0.00 C ATOM 173 CG LEU A 116 2.631 -8.503 3.992 1.00 0.00 C ATOM 174 CD1 LEU A 116 3.415 -7.292 3.496 1.00 0.00 C ATOM 175 CD2 LEU A 116 1.757 -8.974 2.831 1.00 0.00 C ATOM 0 H LEU A 116 3.091 -9.132 6.784 1.00 0.00 H new ATOM 0 HA LEU A 116 1.970 -10.959 4.948 1.00 0.00 H new ATOM 0 HB2 LEU A 116 4.434 -9.160 4.974 1.00 0.00 H new ATOM 0 HB3 LEU A 116 4.000 -10.114 3.569 1.00 0.00 H new ATOM 0 HG LEU A 116 2.012 -8.246 4.852 1.00 0.00 H new ATOM 0 HD11 LEU A 116 2.721 -6.515 3.177 1.00 0.00 H new ATOM 0 HD12 LEU A 116 4.042 -6.910 4.301 1.00 0.00 H new ATOM 0 HD13 LEU A 116 4.043 -7.585 2.655 1.00 0.00 H new ATOM 0 HD21 LEU A 116 1.087 -8.169 2.530 1.00 0.00 H new ATOM 0 HD22 LEU A 116 2.390 -9.253 1.989 1.00 0.00 H new ATOM 0 HD23 LEU A 116 1.170 -9.837 3.145 1.00 0.00 H new ATOM 187 N SER A 117 3.426 -12.995 4.755 1.00 0.00 N ATOM 188 CA SER A 117 4.208 -14.241 4.726 1.00 0.00 C ATOM 189 C SER A 117 5.601 -14.012 4.131 1.00 0.00 C ATOM 190 O SER A 117 5.751 -13.283 3.149 1.00 0.00 O ATOM 191 CB SER A 117 3.495 -15.354 3.949 1.00 0.00 C ATOM 192 OG SER A 117 4.238 -16.562 4.043 1.00 0.00 O ATOM 0 H SER A 117 2.573 -13.028 4.197 1.00 0.00 H new ATOM 0 HA SER A 117 4.311 -14.561 5.763 1.00 0.00 H new ATOM 0 HB2 SER A 117 2.491 -15.502 4.348 1.00 0.00 H new ATOM 0 HB3 SER A 117 3.384 -15.066 2.904 1.00 0.00 H new ATOM 0 HG SER A 117 3.686 -17.253 4.465 1.00 0.00 H new ATOM 198 N VAL A 118 6.620 -14.693 4.659 1.00 0.00 N ATOM 199 CA VAL A 118 7.966 -14.729 4.056 1.00 0.00 C ATOM 200 C VAL A 118 7.999 -15.325 2.634 1.00 0.00 C ATOM 201 O VAL A 118 8.926 -15.071 1.865 1.00 0.00 O ATOM 202 CB VAL A 118 8.976 -15.367 5.031 1.00 0.00 C ATOM 203 CG1 VAL A 118 8.928 -16.900 5.016 1.00 0.00 C ATOM 204 CG2 VAL A 118 10.410 -14.906 4.754 1.00 0.00 C ATOM 0 H VAL A 118 6.541 -15.238 5.518 1.00 0.00 H new ATOM 0 HA VAL A 118 8.280 -13.697 3.898 1.00 0.00 H new ATOM 0 HB VAL A 118 8.675 -15.024 6.021 1.00 0.00 H new ATOM 0 HG11 VAL A 118 9.660 -17.294 5.721 1.00 0.00 H new ATOM 0 HG12 VAL A 118 7.931 -17.236 5.302 1.00 0.00 H new ATOM 0 HG13 VAL A 118 9.159 -17.261 4.014 1.00 0.00 H new ATOM 0 HG21 VAL A 118 11.088 -15.380 5.464 1.00 0.00 H new ATOM 0 HG22 VAL A 118 10.693 -15.187 3.739 1.00 0.00 H new ATOM 0 HG23 VAL A 118 10.471 -13.823 4.861 1.00 0.00 H new ATOM 214 N ASN A 119 6.951 -16.069 2.255 1.00 0.00 N ATOM 215 CA ASN A 119 6.727 -16.570 0.893 1.00 0.00 C ATOM 216 C ASN A 119 6.236 -15.480 -0.086 1.00 0.00 C ATOM 217 O ASN A 119 6.431 -15.600 -1.297 1.00 0.00 O ATOM 218 CB ASN A 119 5.699 -17.713 0.959 1.00 0.00 C ATOM 219 CG ASN A 119 6.160 -18.874 1.825 1.00 0.00 C ATOM 220 OD1 ASN A 119 6.980 -19.692 1.429 1.00 0.00 O ATOM 221 ND2 ASN A 119 5.622 -19.003 3.017 1.00 0.00 N ATOM 0 H ASN A 119 6.216 -16.346 2.905 1.00 0.00 H new ATOM 0 HA ASN A 119 7.684 -16.919 0.506 1.00 0.00 H new ATOM 0 HB2 ASN A 119 4.758 -17.326 1.350 1.00 0.00 H new ATOM 0 HB3 ASN A 119 5.501 -18.075 -0.050 1.00 0.00 H new ATOM 0 HD21 ASN A 119 5.888 -19.786 3.614 1.00 0.00 H new ATOM 0 HD22 ASN A 119 4.939 -18.320 3.345 1.00 0.00 H new ATOM 228 N THR A 120 5.581 -14.431 0.425 1.00 0.00 N ATOM 229 CA THR A 120 4.978 -13.343 -0.360 1.00 0.00 C ATOM 230 C THR A 120 6.009 -12.420 -1.002 1.00 0.00 C ATOM 231 O THR A 120 6.938 -11.960 -0.333 1.00 0.00 O ATOM 232 CB THR A 120 4.013 -12.522 0.512 1.00 0.00 C ATOM 233 OG1 THR A 120 3.063 -13.388 1.095 1.00 0.00 O ATOM 234 CG2 THR A 120 3.230 -11.450 -0.236 1.00 0.00 C ATOM 0 H THR A 120 5.451 -14.310 1.429 1.00 0.00 H new ATOM 0 HA THR A 120 4.430 -13.820 -1.173 1.00 0.00 H new ATOM 0 HB THR A 120 4.647 -12.019 1.242 1.00 0.00 H new ATOM 0 HG1 THR A 120 2.447 -12.869 1.653 1.00 0.00 H new ATOM 0 HG21 THR A 120 2.577 -10.924 0.460 1.00 0.00 H new ATOM 0 HG22 THR A 120 3.924 -10.742 -0.688 1.00 0.00 H new ATOM 0 HG23 THR A 120 2.628 -11.917 -1.016 1.00 0.00 H new ATOM 242 N THR A 121 5.800 -12.109 -2.285 1.00 0.00 N ATOM 243 CA THR A 121 6.525 -11.071 -3.035 1.00 0.00 C ATOM 244 C THR A 121 5.693 -9.813 -3.302 1.00 0.00 C ATOM 245 O THR A 121 4.463 -9.850 -3.270 1.00 0.00 O ATOM 246 CB THR A 121 7.226 -11.634 -4.280 1.00 0.00 C ATOM 247 OG1 THR A 121 8.232 -10.726 -4.677 1.00 0.00 O ATOM 248 CG2 THR A 121 6.300 -11.838 -5.478 1.00 0.00 C ATOM 0 H THR A 121 5.099 -12.587 -2.851 1.00 0.00 H new ATOM 0 HA THR A 121 7.324 -10.725 -2.379 1.00 0.00 H new ATOM 0 HB THR A 121 7.617 -12.611 -3.996 1.00 0.00 H new ATOM 0 HG1 THR A 121 8.691 -11.072 -5.471 1.00 0.00 H new ATOM 0 HG21 THR A 121 6.871 -12.238 -6.316 1.00 0.00 H new ATOM 0 HG22 THR A 121 5.509 -12.539 -5.211 1.00 0.00 H new ATOM 0 HG23 THR A 121 5.858 -10.883 -5.763 1.00 0.00 H new ATOM 256 N VAL A 122 6.352 -8.683 -3.563 1.00 0.00 N ATOM 257 CA VAL A 122 5.729 -7.356 -3.707 1.00 0.00 C ATOM 258 C VAL A 122 4.634 -7.277 -4.780 1.00 0.00 C ATOM 259 O VAL A 122 3.636 -6.578 -4.606 1.00 0.00 O ATOM 260 CB VAL A 122 6.837 -6.306 -3.915 1.00 0.00 C ATOM 261 CG1 VAL A 122 7.513 -6.381 -5.290 1.00 0.00 C ATOM 262 CG2 VAL A 122 6.301 -4.890 -3.727 1.00 0.00 C ATOM 0 H VAL A 122 7.364 -8.660 -3.685 1.00 0.00 H new ATOM 0 HA VAL A 122 5.191 -7.145 -2.783 1.00 0.00 H new ATOM 0 HB VAL A 122 7.585 -6.541 -3.157 1.00 0.00 H new ATOM 0 HG11 VAL A 122 8.281 -5.611 -5.360 1.00 0.00 H new ATOM 0 HG12 VAL A 122 7.970 -7.362 -5.418 1.00 0.00 H new ATOM 0 HG13 VAL A 122 6.769 -6.223 -6.070 1.00 0.00 H new ATOM 0 HG21 VAL A 122 7.107 -4.172 -3.880 1.00 0.00 H new ATOM 0 HG22 VAL A 122 5.506 -4.703 -4.449 1.00 0.00 H new ATOM 0 HG23 VAL A 122 5.906 -4.782 -2.717 1.00 0.00 H new ATOM 272 N GLU A 123 4.773 -8.045 -5.863 1.00 0.00 N ATOM 273 CA GLU A 123 3.765 -8.127 -6.925 1.00 0.00 C ATOM 274 C GLU A 123 2.483 -8.851 -6.475 1.00 0.00 C ATOM 275 O GLU A 123 1.397 -8.493 -6.931 1.00 0.00 O ATOM 276 CB GLU A 123 4.355 -8.816 -8.166 1.00 0.00 C ATOM 277 CG GLU A 123 5.524 -8.025 -8.779 1.00 0.00 C ATOM 278 CD GLU A 123 6.029 -8.596 -10.123 1.00 0.00 C ATOM 279 OE1 GLU A 123 5.600 -9.695 -10.555 1.00 0.00 O ATOM 280 OE2 GLU A 123 6.883 -7.937 -10.766 1.00 0.00 O ATOM 0 H GLU A 123 5.591 -8.631 -6.030 1.00 0.00 H new ATOM 0 HA GLU A 123 3.482 -7.104 -7.173 1.00 0.00 H new ATOM 0 HB2 GLU A 123 4.699 -9.814 -7.895 1.00 0.00 H new ATOM 0 HB3 GLU A 123 3.573 -8.941 -8.915 1.00 0.00 H new ATOM 0 HG2 GLU A 123 5.212 -6.992 -8.929 1.00 0.00 H new ATOM 0 HG3 GLU A 123 6.351 -8.008 -8.069 1.00 0.00 H new ATOM 287 N ASP A 124 2.576 -9.807 -5.538 1.00 0.00 N ATOM 288 CA ASP A 124 1.397 -10.421 -4.906 1.00 0.00 C ATOM 289 C ASP A 124 0.667 -9.344 -4.095 1.00 0.00 C ATOM 290 O ASP A 124 -0.546 -9.194 -4.223 1.00 0.00 O ATOM 291 CB ASP A 124 1.769 -11.547 -3.922 1.00 0.00 C ATOM 292 CG ASP A 124 2.688 -12.662 -4.435 1.00 0.00 C ATOM 293 OD1 ASP A 124 3.340 -13.300 -3.573 1.00 0.00 O ATOM 294 OD2 ASP A 124 2.722 -12.939 -5.658 1.00 0.00 O ATOM 0 H ASP A 124 3.465 -10.175 -5.198 1.00 0.00 H new ATOM 0 HA ASP A 124 0.785 -10.841 -5.704 1.00 0.00 H new ATOM 0 HB2 ASP A 124 2.246 -11.091 -3.054 1.00 0.00 H new ATOM 0 HB3 ASP A 124 0.845 -12.007 -3.573 1.00 0.00 H new ATOM 299 N VAL A 125 1.401 -8.563 -3.291 1.00 0.00 N ATOM 300 CA VAL A 125 0.833 -7.502 -2.445 1.00 0.00 C ATOM 301 C VAL A 125 0.066 -6.472 -3.278 1.00 0.00 C ATOM 302 O VAL A 125 -1.095 -6.187 -2.981 1.00 0.00 O ATOM 303 CB VAL A 125 1.907 -6.843 -1.552 1.00 0.00 C ATOM 304 CG1 VAL A 125 1.282 -5.871 -0.549 1.00 0.00 C ATOM 305 CG2 VAL A 125 2.683 -7.888 -0.746 1.00 0.00 C ATOM 0 H VAL A 125 2.414 -8.650 -3.208 1.00 0.00 H new ATOM 0 HA VAL A 125 0.113 -7.971 -1.774 1.00 0.00 H new ATOM 0 HB VAL A 125 2.576 -6.312 -2.229 1.00 0.00 H new ATOM 0 HG11 VAL A 125 2.066 -5.425 0.063 1.00 0.00 H new ATOM 0 HG12 VAL A 125 0.751 -5.085 -1.086 1.00 0.00 H new ATOM 0 HG13 VAL A 125 0.583 -6.409 0.092 1.00 0.00 H new ATOM 0 HG21 VAL A 125 3.431 -7.390 -0.129 1.00 0.00 H new ATOM 0 HG22 VAL A 125 1.994 -8.440 -0.107 1.00 0.00 H new ATOM 0 HG23 VAL A 125 3.178 -8.579 -1.428 1.00 0.00 H new ATOM 315 N LYS A 126 0.657 -5.978 -4.376 1.00 0.00 N ATOM 316 CA LYS A 126 -0.035 -5.073 -5.308 1.00 0.00 C ATOM 317 C LYS A 126 -1.278 -5.723 -5.937 1.00 0.00 C ATOM 318 O LYS A 126 -2.345 -5.112 -5.918 1.00 0.00 O ATOM 319 CB LYS A 126 0.967 -4.514 -6.335 1.00 0.00 C ATOM 320 CG LYS A 126 0.291 -3.585 -7.361 1.00 0.00 C ATOM 321 CD LYS A 126 1.276 -2.590 -7.995 1.00 0.00 C ATOM 322 CE LYS A 126 0.533 -1.741 -9.037 1.00 0.00 C ATOM 323 NZ LYS A 126 1.409 -0.734 -9.692 1.00 0.00 N ATOM 0 H LYS A 126 1.618 -6.191 -4.642 1.00 0.00 H new ATOM 0 HA LYS A 126 -0.428 -4.223 -4.750 1.00 0.00 H new ATOM 0 HB2 LYS A 126 1.752 -3.966 -5.813 1.00 0.00 H new ATOM 0 HB3 LYS A 126 1.448 -5.341 -6.858 1.00 0.00 H new ATOM 0 HG2 LYS A 126 -0.167 -4.188 -8.146 1.00 0.00 H new ATOM 0 HG3 LYS A 126 -0.513 -3.034 -6.873 1.00 0.00 H new ATOM 0 HD2 LYS A 126 1.709 -1.949 -7.227 1.00 0.00 H new ATOM 0 HD3 LYS A 126 2.101 -3.125 -8.465 1.00 0.00 H new ATOM 0 HE2 LYS A 126 0.109 -2.397 -9.798 1.00 0.00 H new ATOM 0 HE3 LYS A 126 -0.301 -1.231 -8.555 1.00 0.00 H new ATOM 0 HZ1 LYS A 126 1.014 -0.482 -10.621 1.00 0.00 H new ATOM 0 HZ2 LYS A 126 1.464 0.117 -9.097 1.00 0.00 H new ATOM 0 HZ3 LYS A 126 2.362 -1.132 -9.817 1.00 0.00 H new ATOM 337 N HIS A 127 -1.190 -6.970 -6.413 1.00 0.00 N ATOM 338 CA HIS A 127 -2.330 -7.711 -6.979 1.00 0.00 C ATOM 339 C HIS A 127 -3.488 -7.902 -5.982 1.00 0.00 C ATOM 340 O HIS A 127 -4.643 -7.635 -6.322 1.00 0.00 O ATOM 341 CB HIS A 127 -1.824 -9.056 -7.513 1.00 0.00 C ATOM 342 CG HIS A 127 -2.849 -9.797 -8.329 1.00 0.00 C ATOM 343 ND1 HIS A 127 -3.862 -10.625 -7.834 1.00 0.00 N ATOM 344 CD2 HIS A 127 -2.896 -9.805 -9.690 1.00 0.00 C ATOM 345 CE1 HIS A 127 -4.508 -11.098 -8.915 1.00 0.00 C ATOM 346 NE2 HIS A 127 -3.949 -10.621 -10.042 1.00 0.00 N ATOM 0 H HIS A 127 -0.319 -7.501 -6.418 1.00 0.00 H new ATOM 0 HA HIS A 127 -2.749 -7.118 -7.792 1.00 0.00 H new ATOM 0 HB2 HIS A 127 -0.937 -8.886 -8.124 1.00 0.00 H new ATOM 0 HB3 HIS A 127 -1.518 -9.680 -6.674 1.00 0.00 H new ATOM 0 HD2 HIS A 127 -2.237 -9.275 -10.362 1.00 0.00 H new ATOM 0 HE1 HIS A 127 -5.356 -11.766 -8.883 1.00 0.00 H new ATOM 0 HE2 HIS A 127 -4.253 -10.828 -10.994 1.00 0.00 H new ATOM 354 N TYR A 128 -3.191 -8.271 -4.731 1.00 0.00 N ATOM 355 CA TYR A 128 -4.163 -8.317 -3.640 1.00 0.00 C ATOM 356 C TYR A 128 -4.883 -7.008 -3.289 1.00 0.00 C ATOM 357 O TYR A 128 -6.069 -7.040 -2.948 1.00 0.00 O ATOM 358 CB TYR A 128 -3.588 -9.030 -2.408 1.00 0.00 C ATOM 359 CG TYR A 128 -3.702 -10.548 -2.417 1.00 0.00 C ATOM 360 CD1 TYR A 128 -4.928 -11.152 -2.071 1.00 0.00 C ATOM 361 CD2 TYR A 128 -2.587 -11.360 -2.702 1.00 0.00 C ATOM 362 CE1 TYR A 128 -5.038 -12.555 -2.000 1.00 0.00 C ATOM 363 CE2 TYR A 128 -2.688 -12.762 -2.629 1.00 0.00 C ATOM 364 CZ TYR A 128 -3.913 -13.363 -2.272 1.00 0.00 C ATOM 365 OH TYR A 128 -3.983 -14.716 -2.139 1.00 0.00 O ATOM 0 H TYR A 128 -2.252 -8.550 -4.447 1.00 0.00 H new ATOM 0 HA TYR A 128 -4.977 -8.917 -4.047 1.00 0.00 H new ATOM 0 HB2 TYR A 128 -2.536 -8.763 -2.313 1.00 0.00 H new ATOM 0 HB3 TYR A 128 -4.094 -8.650 -1.521 1.00 0.00 H new ATOM 0 HD1 TYR A 128 -5.789 -10.535 -1.859 1.00 0.00 H new ATOM 0 HD2 TYR A 128 -1.648 -10.904 -2.978 1.00 0.00 H new ATOM 0 HE1 TYR A 128 -5.981 -13.011 -1.738 1.00 0.00 H new ATOM 0 HE2 TYR A 128 -1.828 -13.377 -2.846 1.00 0.00 H new ATOM 0 HH TYR A 128 -3.117 -15.112 -2.368 1.00 0.00 H new ATOM 375 N PHE A 129 -4.209 -5.859 -3.419 1.00 0.00 N ATOM 376 CA PHE A 129 -4.822 -4.541 -3.220 1.00 0.00 C ATOM 377 C PHE A 129 -5.537 -3.913 -4.426 1.00 0.00 C ATOM 378 O PHE A 129 -6.497 -3.163 -4.253 1.00 0.00 O ATOM 379 CB PHE A 129 -3.889 -3.594 -2.457 1.00 0.00 C ATOM 380 CG PHE A 129 -3.689 -4.023 -1.014 1.00 0.00 C ATOM 381 CD1 PHE A 129 -4.771 -4.069 -0.114 1.00 0.00 C ATOM 382 CD2 PHE A 129 -2.428 -4.491 -0.606 1.00 0.00 C ATOM 383 CE1 PHE A 129 -4.603 -4.638 1.162 1.00 0.00 C ATOM 384 CE2 PHE A 129 -2.256 -5.043 0.673 1.00 0.00 C ATOM 385 CZ PHE A 129 -3.347 -5.136 1.548 1.00 0.00 C ATOM 0 H PHE A 129 -3.220 -5.817 -3.666 1.00 0.00 H new ATOM 0 HA PHE A 129 -5.678 -4.737 -2.575 1.00 0.00 H new ATOM 0 HB2 PHE A 129 -2.923 -3.556 -2.960 1.00 0.00 H new ATOM 0 HB3 PHE A 129 -4.300 -2.585 -2.480 1.00 0.00 H new ATOM 0 HD1 PHE A 129 -5.731 -3.667 -0.403 1.00 0.00 H new ATOM 0 HD2 PHE A 129 -1.587 -4.426 -1.280 1.00 0.00 H new ATOM 0 HE1 PHE A 129 -5.439 -4.692 1.844 1.00 0.00 H new ATOM 0 HE2 PHE A 129 -1.283 -5.396 0.983 1.00 0.00 H new ATOM 0 HZ PHE A 129 -3.222 -5.591 2.520 1.00 0.00 H new ATOM 395 N GLU A 130 -5.151 -4.298 -5.648 1.00 0.00 N ATOM 396 CA GLU A 130 -5.832 -3.919 -6.901 1.00 0.00 C ATOM 397 C GLU A 130 -7.298 -4.389 -6.993 1.00 0.00 C ATOM 398 O GLU A 130 -8.075 -3.858 -7.790 1.00 0.00 O ATOM 399 CB GLU A 130 -5.029 -4.409 -8.118 1.00 0.00 C ATOM 400 CG GLU A 130 -3.866 -3.465 -8.459 1.00 0.00 C ATOM 401 CD GLU A 130 -3.041 -3.923 -9.681 1.00 0.00 C ATOM 402 OE1 GLU A 130 -3.189 -5.073 -10.159 1.00 0.00 O ATOM 403 OE2 GLU A 130 -2.228 -3.109 -10.179 1.00 0.00 O ATOM 0 H GLU A 130 -4.339 -4.895 -5.801 1.00 0.00 H new ATOM 0 HA GLU A 130 -5.873 -2.830 -6.899 1.00 0.00 H new ATOM 0 HB2 GLU A 130 -4.639 -5.407 -7.917 1.00 0.00 H new ATOM 0 HB3 GLU A 130 -5.692 -4.493 -8.979 1.00 0.00 H new ATOM 0 HG2 GLU A 130 -4.262 -2.468 -8.651 1.00 0.00 H new ATOM 0 HG3 GLU A 130 -3.207 -3.386 -7.594 1.00 0.00 H new ATOM 410 N GLN A 131 -7.701 -5.338 -6.142 1.00 0.00 N ATOM 411 CA GLN A 131 -9.095 -5.757 -5.944 1.00 0.00 C ATOM 412 C GLN A 131 -9.997 -4.596 -5.500 1.00 0.00 C ATOM 413 O GLN A 131 -11.129 -4.448 -5.967 1.00 0.00 O ATOM 414 CB GLN A 131 -9.132 -6.843 -4.856 1.00 0.00 C ATOM 415 CG GLN A 131 -8.289 -8.061 -5.243 1.00 0.00 C ATOM 416 CD GLN A 131 -8.517 -9.237 -4.298 1.00 0.00 C ATOM 417 OE1 GLN A 131 -9.268 -10.165 -4.575 1.00 0.00 O ATOM 418 NE2 GLN A 131 -8.037 -9.148 -3.075 1.00 0.00 N ATOM 0 H GLN A 131 -7.047 -5.853 -5.553 1.00 0.00 H new ATOM 0 HA GLN A 131 -9.469 -6.128 -6.898 1.00 0.00 H new ATOM 0 HB2 GLN A 131 -8.765 -6.430 -3.917 1.00 0.00 H new ATOM 0 HB3 GLN A 131 -10.163 -7.153 -4.686 1.00 0.00 H new ATOM 0 HG2 GLN A 131 -8.533 -8.362 -6.262 1.00 0.00 H new ATOM 0 HG3 GLN A 131 -7.234 -7.789 -5.235 1.00 0.00 H new ATOM 0 HE21 GLN A 131 -7.411 -8.382 -2.827 1.00 0.00 H new ATOM 0 HE22 GLN A 131 -8.292 -9.845 -2.375 1.00 0.00 H new ATOM 427 N PHE A 132 -9.477 -3.777 -4.586 1.00 0.00 N ATOM 428 CA PHE A 132 -10.184 -2.644 -3.972 1.00 0.00 C ATOM 429 C PHE A 132 -10.269 -1.369 -4.820 1.00 0.00 C ATOM 430 O PHE A 132 -11.223 -0.598 -4.688 1.00 0.00 O ATOM 431 CB PHE A 132 -9.572 -2.352 -2.596 1.00 0.00 C ATOM 432 CG PHE A 132 -9.744 -3.509 -1.634 1.00 0.00 C ATOM 433 CD1 PHE A 132 -11.019 -3.864 -1.158 1.00 0.00 C ATOM 434 CD2 PHE A 132 -8.625 -4.287 -1.286 1.00 0.00 C ATOM 435 CE1 PHE A 132 -11.172 -5.001 -0.346 1.00 0.00 C ATOM 436 CE2 PHE A 132 -8.775 -5.406 -0.451 1.00 0.00 C ATOM 437 CZ PHE A 132 -10.050 -5.768 0.015 1.00 0.00 C ATOM 0 H PHE A 132 -8.524 -3.884 -4.239 1.00 0.00 H new ATOM 0 HA PHE A 132 -11.223 -2.960 -3.879 1.00 0.00 H new ATOM 0 HB2 PHE A 132 -8.510 -2.133 -2.712 1.00 0.00 H new ATOM 0 HB3 PHE A 132 -10.037 -1.460 -2.176 1.00 0.00 H new ATOM 0 HD1 PHE A 132 -11.879 -3.264 -1.416 1.00 0.00 H new ATOM 0 HD2 PHE A 132 -7.648 -4.023 -1.662 1.00 0.00 H new ATOM 0 HE1 PHE A 132 -12.154 -5.286 0.002 1.00 0.00 H new ATOM 0 HE2 PHE A 132 -7.911 -5.988 -0.167 1.00 0.00 H new ATOM 0 HZ PHE A 132 -10.168 -6.634 0.649 1.00 0.00 H new ATOM 447 N GLY A 133 -9.270 -1.150 -5.676 1.00 0.00 N ATOM 448 CA GLY A 133 -9.124 0.019 -6.548 1.00 0.00 C ATOM 449 C GLY A 133 -7.688 0.176 -7.060 1.00 0.00 C ATOM 450 O GLY A 133 -6.844 -0.691 -6.833 1.00 0.00 O ATOM 0 H GLY A 133 -8.504 -1.814 -5.786 1.00 0.00 H new ATOM 0 HA2 GLY A 133 -9.803 -0.073 -7.395 1.00 0.00 H new ATOM 0 HA3 GLY A 133 -9.415 0.917 -6.003 1.00 0.00 H new ATOM 454 N LYS A 134 -7.394 1.274 -7.766 1.00 0.00 N ATOM 455 CA LYS A 134 -6.101 1.481 -8.440 1.00 0.00 C ATOM 456 C LYS A 134 -4.948 1.714 -7.450 1.00 0.00 C ATOM 457 O LYS A 134 -4.823 2.783 -6.845 1.00 0.00 O ATOM 458 CB LYS A 134 -6.244 2.597 -9.490 1.00 0.00 C ATOM 459 CG LYS A 134 -4.959 2.784 -10.313 1.00 0.00 C ATOM 460 CD LYS A 134 -5.194 3.743 -11.489 1.00 0.00 C ATOM 461 CE LYS A 134 -3.885 3.973 -12.254 1.00 0.00 C ATOM 462 NZ LYS A 134 -4.085 4.864 -13.427 1.00 0.00 N ATOM 0 H LYS A 134 -8.047 2.048 -7.888 1.00 0.00 H new ATOM 0 HA LYS A 134 -5.826 0.565 -8.962 1.00 0.00 H new ATOM 0 HB2 LYS A 134 -7.071 2.361 -10.159 1.00 0.00 H new ATOM 0 HB3 LYS A 134 -6.494 3.533 -8.991 1.00 0.00 H new ATOM 0 HG2 LYS A 134 -4.167 3.174 -9.674 1.00 0.00 H new ATOM 0 HG3 LYS A 134 -4.620 1.819 -10.688 1.00 0.00 H new ATOM 0 HD2 LYS A 134 -5.948 3.330 -12.159 1.00 0.00 H new ATOM 0 HD3 LYS A 134 -5.581 4.693 -11.121 1.00 0.00 H new ATOM 0 HE2 LYS A 134 -3.145 4.412 -11.585 1.00 0.00 H new ATOM 0 HE3 LYS A 134 -3.485 3.016 -12.588 1.00 0.00 H new ATOM 0 HZ1 LYS A 134 -3.179 4.997 -13.920 1.00 0.00 H new ATOM 0 HZ2 LYS A 134 -4.773 4.433 -14.077 1.00 0.00 H new ATOM 0 HZ3 LYS A 134 -4.443 5.786 -13.106 1.00 0.00 H new ATOM 476 N VAL A 135 -4.086 0.707 -7.315 1.00 0.00 N ATOM 477 CA VAL A 135 -2.815 0.768 -6.573 1.00 0.00 C ATOM 478 C VAL A 135 -1.747 1.442 -7.438 1.00 0.00 C ATOM 479 O VAL A 135 -1.549 1.070 -8.596 1.00 0.00 O ATOM 480 CB VAL A 135 -2.364 -0.640 -6.140 1.00 0.00 C ATOM 481 CG1 VAL A 135 -1.043 -0.628 -5.361 1.00 0.00 C ATOM 482 CG2 VAL A 135 -3.416 -1.308 -5.250 1.00 0.00 C ATOM 0 H VAL A 135 -4.254 -0.209 -7.732 1.00 0.00 H new ATOM 0 HA VAL A 135 -2.961 1.359 -5.669 1.00 0.00 H new ATOM 0 HB VAL A 135 -2.228 -1.197 -7.067 1.00 0.00 H new ATOM 0 HG11 VAL A 135 -0.776 -1.647 -5.082 1.00 0.00 H new ATOM 0 HG12 VAL A 135 -0.256 -0.204 -5.985 1.00 0.00 H new ATOM 0 HG13 VAL A 135 -1.157 -0.024 -4.461 1.00 0.00 H new ATOM 0 HG21 VAL A 135 -3.070 -2.300 -4.960 1.00 0.00 H new ATOM 0 HG22 VAL A 135 -3.574 -0.703 -4.357 1.00 0.00 H new ATOM 0 HG23 VAL A 135 -4.354 -1.397 -5.799 1.00 0.00 H new ATOM 492 N ASP A 136 -1.040 2.417 -6.873 1.00 0.00 N ATOM 493 CA ASP A 136 0.111 3.066 -7.501 1.00 0.00 C ATOM 494 C ASP A 136 1.381 2.197 -7.457 1.00 0.00 C ATOM 495 O ASP A 136 1.935 1.825 -8.494 1.00 0.00 O ATOM 496 CB ASP A 136 0.321 4.460 -6.880 1.00 0.00 C ATOM 497 CG ASP A 136 1.620 5.157 -7.325 1.00 0.00 C ATOM 498 OD1 ASP A 136 1.976 5.084 -8.526 1.00 0.00 O ATOM 499 OD2 ASP A 136 2.262 5.822 -6.480 1.00 0.00 O ATOM 0 H ASP A 136 -1.254 2.787 -5.947 1.00 0.00 H new ATOM 0 HA ASP A 136 -0.104 3.193 -8.562 1.00 0.00 H new ATOM 0 HB2 ASP A 136 -0.527 5.094 -7.141 1.00 0.00 H new ATOM 0 HB3 ASP A 136 0.326 4.365 -5.794 1.00 0.00 H new ATOM 504 N ASP A 137 1.808 1.802 -6.254 1.00 0.00 N ATOM 505 CA ASP A 137 3.098 1.138 -6.018 1.00 0.00 C ATOM 506 C ASP A 137 3.057 0.330 -4.701 1.00 0.00 C ATOM 507 O ASP A 137 2.178 0.525 -3.859 1.00 0.00 O ATOM 508 CB ASP A 137 4.185 2.230 -5.942 1.00 0.00 C ATOM 509 CG ASP A 137 5.625 1.692 -6.023 1.00 0.00 C ATOM 510 OD1 ASP A 137 6.561 2.438 -5.650 1.00 0.00 O ATOM 511 OD2 ASP A 137 5.829 0.545 -6.486 1.00 0.00 O ATOM 0 H ASP A 137 1.261 1.935 -5.403 1.00 0.00 H new ATOM 0 HA ASP A 137 3.316 0.442 -6.828 1.00 0.00 H new ATOM 0 HB2 ASP A 137 4.028 2.940 -6.754 1.00 0.00 H new ATOM 0 HB3 ASP A 137 4.067 2.781 -5.009 1.00 0.00 H new ATOM 516 N ALA A 138 4.026 -0.567 -4.510 1.00 0.00 N ATOM 517 CA ALA A 138 4.206 -1.380 -3.306 1.00 0.00 C ATOM 518 C ALA A 138 5.701 -1.654 -3.029 1.00 0.00 C ATOM 519 O ALA A 138 6.518 -1.642 -3.953 1.00 0.00 O ATOM 520 CB ALA A 138 3.396 -2.679 -3.455 1.00 0.00 C ATOM 0 H ALA A 138 4.735 -0.754 -5.219 1.00 0.00 H new ATOM 0 HA ALA A 138 3.834 -0.834 -2.439 1.00 0.00 H new ATOM 0 HB1 ALA A 138 3.524 -3.292 -2.563 1.00 0.00 H new ATOM 0 HB2 ALA A 138 2.341 -2.437 -3.581 1.00 0.00 H new ATOM 0 HB3 ALA A 138 3.749 -3.230 -4.327 1.00 0.00 H new ATOM 526 N MET A 139 6.065 -1.915 -1.768 1.00 0.00 N ATOM 527 CA MET A 139 7.437 -2.271 -1.358 1.00 0.00 C ATOM 528 C MET A 139 7.485 -3.099 -0.063 1.00 0.00 C ATOM 529 O MET A 139 6.902 -2.716 0.949 1.00 0.00 O ATOM 530 CB MET A 139 8.322 -1.013 -1.253 1.00 0.00 C ATOM 531 CG MET A 139 7.762 0.099 -0.355 1.00 0.00 C ATOM 532 SD MET A 139 8.873 1.524 -0.204 1.00 0.00 S ATOM 533 CE MET A 139 7.998 2.460 1.078 1.00 0.00 C ATOM 0 H MET A 139 5.408 -1.886 -0.989 1.00 0.00 H new ATOM 0 HA MET A 139 7.839 -2.914 -2.141 1.00 0.00 H new ATOM 0 HB2 MET A 139 9.301 -1.306 -0.875 1.00 0.00 H new ATOM 0 HB3 MET A 139 8.474 -0.609 -2.254 1.00 0.00 H new ATOM 0 HG2 MET A 139 6.805 0.434 -0.756 1.00 0.00 H new ATOM 0 HG3 MET A 139 7.567 -0.308 0.637 1.00 0.00 H new ATOM 0 HE1 MET A 139 8.546 3.376 1.298 1.00 0.00 H new ATOM 0 HE2 MET A 139 6.997 2.711 0.726 1.00 0.00 H new ATOM 0 HE3 MET A 139 7.924 1.856 1.982 1.00 0.00 H new ATOM 543 N LEU A 140 8.209 -4.224 -0.081 1.00 0.00 N ATOM 544 CA LEU A 140 8.486 -5.056 1.102 1.00 0.00 C ATOM 545 C LEU A 140 9.747 -4.576 1.836 1.00 0.00 C ATOM 546 O LEU A 140 10.718 -4.148 1.206 1.00 0.00 O ATOM 547 CB LEU A 140 8.648 -6.530 0.688 1.00 0.00 C ATOM 548 CG LEU A 140 7.400 -7.175 0.065 1.00 0.00 C ATOM 549 CD1 LEU A 140 7.745 -8.578 -0.423 1.00 0.00 C ATOM 550 CD2 LEU A 140 6.259 -7.295 1.071 1.00 0.00 C ATOM 0 H LEU A 140 8.629 -4.592 -0.935 1.00 0.00 H new ATOM 0 HA LEU A 140 7.640 -4.964 1.783 1.00 0.00 H new ATOM 0 HB2 LEU A 140 9.469 -6.602 -0.025 1.00 0.00 H new ATOM 0 HB3 LEU A 140 8.936 -7.108 1.566 1.00 0.00 H new ATOM 0 HG LEU A 140 7.079 -6.536 -0.757 1.00 0.00 H new ATOM 0 HD11 LEU A 140 6.861 -9.037 -0.865 1.00 0.00 H new ATOM 0 HD12 LEU A 140 8.536 -8.519 -1.171 1.00 0.00 H new ATOM 0 HD13 LEU A 140 8.085 -9.182 0.418 1.00 0.00 H new ATOM 0 HD21 LEU A 140 5.396 -7.756 0.590 1.00 0.00 H new ATOM 0 HD22 LEU A 140 6.578 -7.912 1.911 1.00 0.00 H new ATOM 0 HD23 LEU A 140 5.986 -6.303 1.432 1.00 0.00 H new ATOM 562 N MET A 141 9.749 -4.670 3.167 1.00 0.00 N ATOM 563 CA MET A 141 10.875 -4.248 4.009 1.00 0.00 C ATOM 564 C MET A 141 11.817 -5.420 4.320 1.00 0.00 C ATOM 565 O MET A 141 11.729 -6.073 5.366 1.00 0.00 O ATOM 566 CB MET A 141 10.348 -3.508 5.249 1.00 0.00 C ATOM 567 CG MET A 141 9.633 -2.204 4.860 1.00 0.00 C ATOM 568 SD MET A 141 10.655 -0.973 4.002 1.00 0.00 S ATOM 569 CE MET A 141 9.769 -0.833 2.431 1.00 0.00 C ATOM 0 H MET A 141 8.963 -5.044 3.698 1.00 0.00 H new ATOM 0 HA MET A 141 11.496 -3.536 3.464 1.00 0.00 H new ATOM 0 HB2 MET A 141 9.660 -4.153 5.795 1.00 0.00 H new ATOM 0 HB3 MET A 141 11.177 -3.284 5.921 1.00 0.00 H new ATOM 0 HG2 MET A 141 8.784 -2.453 4.223 1.00 0.00 H new ATOM 0 HG3 MET A 141 9.230 -1.748 5.764 1.00 0.00 H new ATOM 0 HE1 MET A 141 10.432 -0.410 1.676 1.00 0.00 H new ATOM 0 HE2 MET A 141 9.437 -1.821 2.111 1.00 0.00 H new ATOM 0 HE3 MET A 141 8.903 -0.183 2.558 1.00 0.00 H new ATOM 699 N HIS A 149 12.322 -11.063 4.384 1.00 0.00 N ATOM 700 CA HIS A 149 11.785 -9.770 4.833 1.00 0.00 C ATOM 701 C HIS A 149 11.161 -9.838 6.231 1.00 0.00 C ATOM 702 O HIS A 149 10.851 -10.915 6.742 1.00 0.00 O ATOM 703 CB HIS A 149 10.827 -9.196 3.775 1.00 0.00 C ATOM 704 CG HIS A 149 9.570 -9.998 3.559 1.00 0.00 C ATOM 705 ND1 HIS A 149 8.459 -10.003 4.407 1.00 0.00 N ATOM 706 CD2 HIS A 149 9.261 -10.685 2.420 1.00 0.00 C ATOM 707 CE1 HIS A 149 7.515 -10.714 3.764 1.00 0.00 C ATOM 708 NE2 HIS A 149 7.970 -11.138 2.573 1.00 0.00 N ATOM 0 HA HIS A 149 12.621 -9.078 4.935 1.00 0.00 H new ATOM 0 HB2 HIS A 149 10.549 -8.184 4.068 1.00 0.00 H new ATOM 0 HB3 HIS A 149 11.359 -9.119 2.827 1.00 0.00 H new ATOM 0 HD2 HIS A 149 9.904 -10.842 1.566 1.00 0.00 H new ATOM 0 HE1 HIS A 149 6.527 -10.916 4.152 1.00 0.00 H new ATOM 0 HE2 HIS A 149 7.449 -11.699 1.899 1.00 0.00 H new ATOM 716 N ARG A 150 11.001 -8.666 6.860 1.00 0.00 N ATOM 717 CA ARG A 150 10.570 -8.495 8.263 1.00 0.00 C ATOM 718 C ARG A 150 9.079 -8.766 8.535 1.00 0.00 C ATOM 719 O ARG A 150 8.572 -8.422 9.603 1.00 0.00 O ATOM 720 CB ARG A 150 11.000 -7.098 8.747 1.00 0.00 C ATOM 721 CG ARG A 150 12.526 -6.964 8.867 1.00 0.00 C ATOM 722 CD ARG A 150 12.921 -5.583 9.401 1.00 0.00 C ATOM 723 NE ARG A 150 12.871 -4.544 8.356 1.00 0.00 N ATOM 724 CZ ARG A 150 13.234 -3.283 8.515 1.00 0.00 C ATOM 725 NH1 ARG A 150 13.574 -2.769 9.658 1.00 0.00 N ATOM 726 NH2 ARG A 150 13.300 -2.463 7.518 1.00 0.00 N ATOM 0 H ARG A 150 11.173 -7.776 6.393 1.00 0.00 H new ATOM 0 HA ARG A 150 11.071 -9.271 8.841 1.00 0.00 H new ATOM 0 HB2 ARG A 150 10.625 -6.345 8.054 1.00 0.00 H new ATOM 0 HB3 ARG A 150 10.543 -6.895 9.716 1.00 0.00 H new ATOM 0 HG2 ARG A 150 12.910 -7.737 9.532 1.00 0.00 H new ATOM 0 HG3 ARG A 150 12.986 -7.125 7.892 1.00 0.00 H new ATOM 0 HD2 ARG A 150 12.253 -5.307 10.217 1.00 0.00 H new ATOM 0 HD3 ARG A 150 13.928 -5.630 9.815 1.00 0.00 H new ATOM 0 HE ARG A 150 12.529 -4.821 7.436 1.00 0.00 H new ATOM 0 HH11 ARG A 150 13.570 -3.347 10.498 1.00 0.00 H new ATOM 0 HH12 ARG A 150 13.845 -1.787 9.715 1.00 0.00 H new ATOM 0 HH21 ARG A 150 13.069 -2.784 6.578 1.00 0.00 H new ATOM 0 HH22 ARG A 150 13.583 -1.495 7.672 1.00 0.00 H new ATOM 740 N GLY A 151 8.358 -9.339 7.570 1.00 0.00 N ATOM 741 CA GLY A 151 6.924 -9.605 7.676 1.00 0.00 C ATOM 742 C GLY A 151 6.037 -8.376 7.468 1.00 0.00 C ATOM 743 O GLY A 151 4.851 -8.434 7.785 1.00 0.00 O ATOM 0 H GLY A 151 8.760 -9.635 6.681 1.00 0.00 H new ATOM 0 HA2 GLY A 151 6.652 -10.363 6.941 1.00 0.00 H new ATOM 0 HA3 GLY A 151 6.716 -10.026 8.660 1.00 0.00 H new ATOM 747 N PHE A 152 6.571 -7.266 6.944 1.00 0.00 N ATOM 748 CA PHE A 152 5.772 -6.073 6.659 1.00 0.00 C ATOM 749 C PHE A 152 6.261 -5.338 5.401 1.00 0.00 C ATOM 750 O PHE A 152 7.389 -5.518 4.931 1.00 0.00 O ATOM 751 CB PHE A 152 5.751 -5.131 7.876 1.00 0.00 C ATOM 752 CG PHE A 152 7.046 -4.410 8.210 1.00 0.00 C ATOM 753 CD1 PHE A 152 7.272 -3.116 7.700 1.00 0.00 C ATOM 754 CD2 PHE A 152 7.983 -4.976 9.095 1.00 0.00 C ATOM 755 CE1 PHE A 152 8.402 -2.383 8.102 1.00 0.00 C ATOM 756 CE2 PHE A 152 9.136 -4.255 9.463 1.00 0.00 C ATOM 757 CZ PHE A 152 9.341 -2.954 8.976 1.00 0.00 C ATOM 0 H PHE A 152 7.559 -7.172 6.708 1.00 0.00 H new ATOM 0 HA PHE A 152 4.753 -6.403 6.459 1.00 0.00 H new ATOM 0 HB2 PHE A 152 4.978 -4.381 7.711 1.00 0.00 H new ATOM 0 HB3 PHE A 152 5.451 -5.711 8.749 1.00 0.00 H new ATOM 0 HD1 PHE A 152 6.574 -2.686 6.997 1.00 0.00 H new ATOM 0 HD2 PHE A 152 7.817 -5.966 9.493 1.00 0.00 H new ATOM 0 HE1 PHE A 152 8.549 -1.377 7.737 1.00 0.00 H new ATOM 0 HE2 PHE A 152 9.864 -4.704 10.122 1.00 0.00 H new ATOM 0 HZ PHE A 152 10.217 -2.395 9.272 1.00 0.00 H new ATOM 767 N GLY A 153 5.388 -4.487 4.861 1.00 0.00 N ATOM 768 CA GLY A 153 5.665 -3.619 3.721 1.00 0.00 C ATOM 769 C GLY A 153 4.695 -2.442 3.634 1.00 0.00 C ATOM 770 O GLY A 153 3.799 -2.291 4.467 1.00 0.00 O ATOM 0 H GLY A 153 4.438 -4.381 5.218 1.00 0.00 H new ATOM 0 HA2 GLY A 153 6.685 -3.241 3.795 1.00 0.00 H new ATOM 0 HA3 GLY A 153 5.608 -4.202 2.802 1.00 0.00 H new ATOM 774 N PHE A 154 4.875 -1.614 2.608 1.00 0.00 N ATOM 775 CA PHE A 154 4.028 -0.466 2.282 1.00 0.00 C ATOM 776 C PHE A 154 3.308 -0.558 0.936 1.00 0.00 C ATOM 777 O PHE A 154 3.843 -1.141 -0.010 1.00 0.00 O ATOM 778 CB PHE A 154 4.807 0.843 2.437 1.00 0.00 C ATOM 779 CG PHE A 154 5.156 1.169 3.873 1.00 0.00 C ATOM 780 CD1 PHE A 154 4.304 1.967 4.659 1.00 0.00 C ATOM 781 CD2 PHE A 154 6.327 0.630 4.436 1.00 0.00 C ATOM 782 CE1 PHE A 154 4.633 2.235 6.000 1.00 0.00 C ATOM 783 CE2 PHE A 154 6.645 0.879 5.778 1.00 0.00 C ATOM 784 CZ PHE A 154 5.803 1.690 6.558 1.00 0.00 C ATOM 0 H PHE A 154 5.648 -1.728 1.952 1.00 0.00 H new ATOM 0 HA PHE A 154 3.219 -0.480 3.012 1.00 0.00 H new ATOM 0 HB2 PHE A 154 5.725 0.782 1.853 1.00 0.00 H new ATOM 0 HB3 PHE A 154 4.217 1.659 2.020 1.00 0.00 H new ATOM 0 HD1 PHE A 154 3.399 2.373 4.233 1.00 0.00 H new ATOM 0 HD2 PHE A 154 6.984 0.022 3.832 1.00 0.00 H new ATOM 0 HE1 PHE A 154 3.988 2.859 6.601 1.00 0.00 H new ATOM 0 HE2 PHE A 154 7.535 0.448 6.212 1.00 0.00 H new ATOM 0 HZ PHE A 154 6.055 1.895 7.588 1.00 0.00 H new ATOM 794 N VAL A 155 2.120 0.044 0.837 1.00 0.00 N ATOM 795 CA VAL A 155 1.306 0.105 -0.390 1.00 0.00 C ATOM 796 C VAL A 155 0.730 1.501 -0.611 1.00 0.00 C ATOM 797 O VAL A 155 0.048 2.036 0.264 1.00 0.00 O ATOM 798 CB VAL A 155 0.201 -0.974 -0.422 1.00 0.00 C ATOM 799 CG1 VAL A 155 -0.447 -1.076 -1.807 1.00 0.00 C ATOM 800 CG2 VAL A 155 0.714 -2.366 -0.030 1.00 0.00 C ATOM 0 H VAL A 155 1.682 0.517 1.627 1.00 0.00 H new ATOM 0 HA VAL A 155 1.978 -0.112 -1.220 1.00 0.00 H new ATOM 0 HB VAL A 155 -0.535 -0.651 0.315 1.00 0.00 H new ATOM 0 HG11 VAL A 155 -1.219 -1.845 -1.792 1.00 0.00 H new ATOM 0 HG12 VAL A 155 -0.894 -0.118 -2.071 1.00 0.00 H new ATOM 0 HG13 VAL A 155 0.311 -1.338 -2.545 1.00 0.00 H new ATOM 0 HG21 VAL A 155 -0.107 -3.081 -0.071 1.00 0.00 H new ATOM 0 HG22 VAL A 155 1.498 -2.673 -0.722 1.00 0.00 H new ATOM 0 HG23 VAL A 155 1.117 -2.334 0.982 1.00 0.00 H new ATOM 810 N THR A 156 1.007 2.084 -1.776 1.00 0.00 N ATOM 811 CA THR A 156 0.549 3.409 -2.228 1.00 0.00 C ATOM 812 C THR A 156 -0.586 3.361 -3.245 1.00 0.00 C ATOM 813 O THR A 156 -0.590 2.491 -4.113 1.00 0.00 O ATOM 814 CB THR A 156 1.699 4.322 -2.700 1.00 0.00 C ATOM 815 OG1 THR A 156 2.895 4.066 -1.988 1.00 0.00 O ATOM 816 CG2 THR A 156 1.383 5.809 -2.544 1.00 0.00 C ATOM 0 H THR A 156 1.590 1.623 -2.474 1.00 0.00 H new ATOM 0 HA THR A 156 0.129 3.865 -1.332 1.00 0.00 H new ATOM 0 HB THR A 156 1.824 4.090 -3.758 1.00 0.00 H new ATOM 0 HG1 THR A 156 3.603 4.660 -2.313 1.00 0.00 H new ATOM 0 HG21 THR A 156 2.230 6.400 -2.893 1.00 0.00 H new ATOM 0 HG22 THR A 156 0.500 6.057 -3.133 1.00 0.00 H new ATOM 0 HG23 THR A 156 1.193 6.032 -1.494 1.00 0.00 H new ATOM 824 N PHE A 157 -1.541 4.288 -3.176 1.00 0.00 N ATOM 825 CA PHE A 157 -2.770 4.296 -3.971 1.00 0.00 C ATOM 826 C PHE A 157 -2.909 5.513 -4.891 1.00 0.00 C ATOM 827 O PHE A 157 -2.426 6.600 -4.572 1.00 0.00 O ATOM 828 CB PHE A 157 -3.983 4.107 -3.053 1.00 0.00 C ATOM 829 CG PHE A 157 -4.063 2.738 -2.392 1.00 0.00 C ATOM 830 CD1 PHE A 157 -3.232 2.431 -1.299 1.00 0.00 C ATOM 831 CD2 PHE A 157 -4.968 1.768 -2.863 1.00 0.00 C ATOM 832 CE1 PHE A 157 -3.286 1.162 -0.700 1.00 0.00 C ATOM 833 CE2 PHE A 157 -5.035 0.503 -2.250 1.00 0.00 C ATOM 834 CZ PHE A 157 -4.187 0.196 -1.172 1.00 0.00 C ATOM 0 H PHE A 157 -1.478 5.084 -2.541 1.00 0.00 H new ATOM 0 HA PHE A 157 -2.716 3.451 -4.658 1.00 0.00 H new ATOM 0 HB2 PHE A 157 -3.958 4.871 -2.276 1.00 0.00 H new ATOM 0 HB3 PHE A 157 -4.891 4.271 -3.633 1.00 0.00 H new ATOM 0 HD1 PHE A 157 -2.549 3.176 -0.918 1.00 0.00 H new ATOM 0 HD2 PHE A 157 -5.614 1.996 -3.698 1.00 0.00 H new ATOM 0 HE1 PHE A 157 -2.632 0.929 0.127 1.00 0.00 H new ATOM 0 HE2 PHE A 157 -5.739 -0.233 -2.609 1.00 0.00 H new ATOM 0 HZ PHE A 157 -4.229 -0.779 -0.709 1.00 0.00 H new ATOM 844 N GLU A 158 -3.584 5.346 -6.027 1.00 0.00 N ATOM 845 CA GLU A 158 -3.866 6.454 -6.955 1.00 0.00 C ATOM 846 C GLU A 158 -5.006 7.350 -6.442 1.00 0.00 C ATOM 847 O GLU A 158 -4.900 8.579 -6.494 1.00 0.00 O ATOM 848 CB GLU A 158 -4.134 5.883 -8.357 1.00 0.00 C ATOM 849 CG GLU A 158 -4.377 6.950 -9.440 1.00 0.00 C ATOM 850 CD GLU A 158 -5.833 7.451 -9.578 1.00 0.00 C ATOM 851 OE1 GLU A 158 -6.766 6.879 -8.962 1.00 0.00 O ATOM 852 OE2 GLU A 158 -6.051 8.420 -10.345 1.00 0.00 O ATOM 0 H GLU A 158 -3.952 4.446 -6.334 1.00 0.00 H new ATOM 0 HA GLU A 158 -2.994 7.106 -7.017 1.00 0.00 H new ATOM 0 HB2 GLU A 158 -3.285 5.267 -8.654 1.00 0.00 H new ATOM 0 HB3 GLU A 158 -5.003 5.226 -8.309 1.00 0.00 H new ATOM 0 HG2 GLU A 158 -3.737 7.807 -9.229 1.00 0.00 H new ATOM 0 HG3 GLU A 158 -4.060 6.544 -10.401 1.00 0.00 H new ATOM 859 N SER A 159 -6.061 6.747 -5.882 1.00 0.00 N ATOM 860 CA SER A 159 -7.211 7.439 -5.288 1.00 0.00 C ATOM 861 C SER A 159 -7.255 7.283 -3.764 1.00 0.00 C ATOM 862 O SER A 159 -7.146 6.177 -3.233 1.00 0.00 O ATOM 863 CB SER A 159 -8.520 6.965 -5.932 1.00 0.00 C ATOM 864 OG SER A 159 -8.702 7.568 -7.203 1.00 0.00 O ATOM 0 H SER A 159 -6.141 5.732 -5.828 1.00 0.00 H new ATOM 0 HA SER A 159 -7.092 8.503 -5.493 1.00 0.00 H new ATOM 0 HB2 SER A 159 -8.507 5.880 -6.037 1.00 0.00 H new ATOM 0 HB3 SER A 159 -9.360 7.212 -5.283 1.00 0.00 H new ATOM 0 HG SER A 159 -7.970 7.304 -7.798 1.00 0.00 H new ATOM 870 N GLU A 160 -7.451 8.396 -3.055 1.00 0.00 N ATOM 871 CA GLU A 160 -7.491 8.451 -1.586 1.00 0.00 C ATOM 872 C GLU A 160 -8.659 7.635 -0.999 1.00 0.00 C ATOM 873 O GLU A 160 -8.505 6.987 0.034 1.00 0.00 O ATOM 874 CB GLU A 160 -7.555 9.934 -1.183 1.00 0.00 C ATOM 875 CG GLU A 160 -7.603 10.193 0.329 1.00 0.00 C ATOM 876 CD GLU A 160 -7.727 11.695 0.679 1.00 0.00 C ATOM 877 OE1 GLU A 160 -8.097 12.013 1.835 1.00 0.00 O ATOM 878 OE2 GLU A 160 -7.467 12.572 -0.183 1.00 0.00 O ATOM 0 H GLU A 160 -7.590 9.307 -3.493 1.00 0.00 H new ATOM 0 HA GLU A 160 -6.594 7.990 -1.173 1.00 0.00 H new ATOM 0 HB2 GLU A 160 -6.686 10.445 -1.597 1.00 0.00 H new ATOM 0 HB3 GLU A 160 -8.437 10.382 -1.641 1.00 0.00 H new ATOM 0 HG2 GLU A 160 -8.448 9.654 0.758 1.00 0.00 H new ATOM 0 HG3 GLU A 160 -6.701 9.791 0.790 1.00 0.00 H new ATOM 885 N ASP A 161 -9.801 7.583 -1.692 1.00 0.00 N ATOM 886 CA ASP A 161 -10.963 6.781 -1.284 1.00 0.00 C ATOM 887 C ASP A 161 -10.715 5.270 -1.138 1.00 0.00 C ATOM 888 O ASP A 161 -11.356 4.611 -0.314 1.00 0.00 O ATOM 889 CB ASP A 161 -12.170 7.063 -2.196 1.00 0.00 C ATOM 890 CG ASP A 161 -12.864 8.422 -1.975 1.00 0.00 C ATOM 891 OD1 ASP A 161 -13.778 8.749 -2.769 1.00 0.00 O ATOM 892 OD2 ASP A 161 -12.529 9.166 -1.020 1.00 0.00 O ATOM 0 H ASP A 161 -9.948 8.100 -2.559 1.00 0.00 H new ATOM 0 HA ASP A 161 -11.182 7.113 -0.269 1.00 0.00 H new ATOM 0 HB2 ASP A 161 -11.841 7.007 -3.234 1.00 0.00 H new ATOM 0 HB3 ASP A 161 -12.905 6.271 -2.052 1.00 0.00 H new ATOM 897 N ILE A 162 -9.756 4.716 -1.891 1.00 0.00 N ATOM 898 CA ILE A 162 -9.362 3.305 -1.752 1.00 0.00 C ATOM 899 C ILE A 162 -8.611 3.087 -0.440 1.00 0.00 C ATOM 900 O ILE A 162 -8.866 2.104 0.245 1.00 0.00 O ATOM 901 CB ILE A 162 -8.503 2.800 -2.928 1.00 0.00 C ATOM 902 CG1 ILE A 162 -8.959 3.268 -4.316 1.00 0.00 C ATOM 903 CG2 ILE A 162 -8.437 1.262 -2.904 1.00 0.00 C ATOM 904 CD1 ILE A 162 -10.440 3.040 -4.647 1.00 0.00 C ATOM 0 H ILE A 162 -9.236 5.225 -2.606 1.00 0.00 H new ATOM 0 HA ILE A 162 -10.286 2.727 -1.754 1.00 0.00 H new ATOM 0 HB ILE A 162 -7.519 3.244 -2.775 1.00 0.00 H new ATOM 0 HG12 ILE A 162 -8.746 4.333 -4.407 1.00 0.00 H new ATOM 0 HG13 ILE A 162 -8.356 2.757 -5.067 1.00 0.00 H new ATOM 0 HG21 ILE A 162 -7.829 0.911 -3.737 1.00 0.00 H new ATOM 0 HG22 ILE A 162 -7.992 0.932 -1.965 1.00 0.00 H new ATOM 0 HG23 ILE A 162 -9.444 0.853 -2.992 1.00 0.00 H new ATOM 0 HD11 ILE A 162 -10.649 3.408 -5.651 1.00 0.00 H new ATOM 0 HD12 ILE A 162 -10.664 1.974 -4.597 1.00 0.00 H new ATOM 0 HD13 ILE A 162 -11.060 3.575 -3.928 1.00 0.00 H new ATOM 916 N VAL A 163 -7.740 4.018 -0.040 1.00 0.00 N ATOM 917 CA VAL A 163 -7.006 3.922 1.233 1.00 0.00 C ATOM 918 C VAL A 163 -7.986 3.824 2.403 1.00 0.00 C ATOM 919 O VAL A 163 -7.813 2.986 3.287 1.00 0.00 O ATOM 920 CB VAL A 163 -6.072 5.132 1.439 1.00 0.00 C ATOM 921 CG1 VAL A 163 -5.279 5.069 2.749 1.00 0.00 C ATOM 922 CG2 VAL A 163 -5.073 5.257 0.288 1.00 0.00 C ATOM 0 H VAL A 163 -7.522 4.854 -0.582 1.00 0.00 H new ATOM 0 HA VAL A 163 -6.394 3.021 1.194 1.00 0.00 H new ATOM 0 HB VAL A 163 -6.731 5.999 1.476 1.00 0.00 H new ATOM 0 HG11 VAL A 163 -4.642 5.950 2.831 1.00 0.00 H new ATOM 0 HG12 VAL A 163 -5.970 5.041 3.592 1.00 0.00 H new ATOM 0 HG13 VAL A 163 -4.660 4.172 2.757 1.00 0.00 H new ATOM 0 HG21 VAL A 163 -4.427 6.118 0.459 1.00 0.00 H new ATOM 0 HG22 VAL A 163 -4.466 4.353 0.233 1.00 0.00 H new ATOM 0 HG23 VAL A 163 -5.613 5.389 -0.650 1.00 0.00 H new ATOM 932 N GLU A 164 -9.061 4.620 2.374 1.00 0.00 N ATOM 933 CA GLU A 164 -10.147 4.556 3.360 1.00 0.00 C ATOM 934 C GLU A 164 -10.879 3.204 3.318 1.00 0.00 C ATOM 935 O GLU A 164 -11.042 2.571 4.361 1.00 0.00 O ATOM 936 CB GLU A 164 -11.143 5.713 3.143 1.00 0.00 C ATOM 937 CG GLU A 164 -10.498 7.109 3.113 1.00 0.00 C ATOM 938 CD GLU A 164 -9.608 7.404 4.332 1.00 0.00 C ATOM 939 OE1 GLU A 164 -8.552 8.058 4.175 1.00 0.00 O ATOM 940 OE2 GLU A 164 -9.949 7.002 5.470 1.00 0.00 O ATOM 0 H GLU A 164 -9.203 5.333 1.659 1.00 0.00 H new ATOM 0 HA GLU A 164 -9.697 4.656 4.348 1.00 0.00 H new ATOM 0 HB2 GLU A 164 -11.672 5.550 2.204 1.00 0.00 H new ATOM 0 HB3 GLU A 164 -11.889 5.688 3.937 1.00 0.00 H new ATOM 0 HG2 GLU A 164 -9.901 7.204 2.206 1.00 0.00 H new ATOM 0 HG3 GLU A 164 -11.284 7.862 3.057 1.00 0.00 H new ATOM 947 N LYS A 165 -11.258 2.720 2.124 1.00 0.00 N ATOM 948 CA LYS A 165 -11.937 1.425 1.920 1.00 0.00 C ATOM 949 C LYS A 165 -11.123 0.248 2.477 1.00 0.00 C ATOM 950 O LYS A 165 -11.634 -0.557 3.254 1.00 0.00 O ATOM 951 CB LYS A 165 -12.224 1.255 0.415 1.00 0.00 C ATOM 952 CG LYS A 165 -13.089 0.025 0.094 1.00 0.00 C ATOM 953 CD LYS A 165 -13.126 -0.300 -1.407 1.00 0.00 C ATOM 954 CE LYS A 165 -13.651 0.854 -2.274 1.00 0.00 C ATOM 955 NZ LYS A 165 -13.701 0.471 -3.711 1.00 0.00 N ATOM 0 H LYS A 165 -11.099 3.227 1.253 1.00 0.00 H new ATOM 0 HA LYS A 165 -12.875 1.425 2.475 1.00 0.00 H new ATOM 0 HB2 LYS A 165 -12.725 2.149 0.045 1.00 0.00 H new ATOM 0 HB3 LYS A 165 -11.278 1.175 -0.121 1.00 0.00 H new ATOM 0 HG2 LYS A 165 -12.704 -0.837 0.639 1.00 0.00 H new ATOM 0 HG3 LYS A 165 -14.105 0.198 0.449 1.00 0.00 H new ATOM 0 HD2 LYS A 165 -12.121 -0.564 -1.738 1.00 0.00 H new ATOM 0 HD3 LYS A 165 -13.754 -1.177 -1.565 1.00 0.00 H new ATOM 0 HE2 LYS A 165 -14.647 1.141 -1.937 1.00 0.00 H new ATOM 0 HE3 LYS A 165 -13.009 1.726 -2.150 1.00 0.00 H new ATOM 0 HZ1 LYS A 165 -13.928 1.308 -4.286 1.00 0.00 H new ATOM 0 HZ2 LYS A 165 -12.777 0.092 -4.002 1.00 0.00 H new ATOM 0 HZ3 LYS A 165 -14.432 -0.255 -3.852 1.00 0.00 H new ATOM 969 N VAL A 166 -9.844 0.172 2.109 1.00 0.00 N ATOM 970 CA VAL A 166 -8.894 -0.874 2.527 1.00 0.00 C ATOM 971 C VAL A 166 -8.622 -0.801 4.035 1.00 0.00 C ATOM 972 O VAL A 166 -8.647 -1.823 4.722 1.00 0.00 O ATOM 973 CB VAL A 166 -7.577 -0.741 1.731 1.00 0.00 C ATOM 974 CG1 VAL A 166 -6.561 -1.824 2.103 1.00 0.00 C ATOM 975 CG2 VAL A 166 -7.776 -0.825 0.210 1.00 0.00 C ATOM 0 H VAL A 166 -9.419 0.861 1.488 1.00 0.00 H new ATOM 0 HA VAL A 166 -9.338 -1.847 2.315 1.00 0.00 H new ATOM 0 HB VAL A 166 -7.206 0.248 2.001 1.00 0.00 H new ATOM 0 HG11 VAL A 166 -5.652 -1.687 1.517 1.00 0.00 H new ATOM 0 HG12 VAL A 166 -6.323 -1.750 3.164 1.00 0.00 H new ATOM 0 HG13 VAL A 166 -6.984 -2.807 1.894 1.00 0.00 H new ATOM 0 HG21 VAL A 166 -6.812 -0.724 -0.289 1.00 0.00 H new ATOM 0 HG22 VAL A 166 -8.219 -1.787 -0.046 1.00 0.00 H new ATOM 0 HG23 VAL A 166 -8.438 -0.023 -0.115 1.00 0.00 H new ATOM 985 N CYS A 167 -8.394 0.397 4.578 1.00 0.00 N ATOM 986 CA CYS A 167 -8.087 0.578 6.002 1.00 0.00 C ATOM 987 C CYS A 167 -9.311 0.327 6.911 1.00 0.00 C ATOM 988 O CYS A 167 -9.153 -0.198 8.012 1.00 0.00 O ATOM 989 CB CYS A 167 -7.503 1.986 6.194 1.00 0.00 C ATOM 990 SG CYS A 167 -6.858 2.196 7.879 1.00 0.00 S ATOM 0 H CYS A 167 -8.416 1.267 4.047 1.00 0.00 H new ATOM 0 HA CYS A 167 -7.352 -0.168 6.306 1.00 0.00 H new ATOM 0 HB2 CYS A 167 -6.705 2.155 5.471 1.00 0.00 H new ATOM 0 HB3 CYS A 167 -8.273 2.733 5.999 1.00 0.00 H new ATOM 0 HG CYS A 167 -7.459 1.367 8.680 1.00 0.00 H new ATOM 996 N GLU A 168 -10.536 0.625 6.461 1.00 0.00 N ATOM 997 CA GLU A 168 -11.777 0.331 7.175 1.00 0.00 C ATOM 998 C GLU A 168 -12.022 -1.183 7.346 1.00 0.00 C ATOM 999 O GLU A 168 -12.553 -1.613 8.373 1.00 0.00 O ATOM 1000 CB GLU A 168 -12.914 1.032 6.411 1.00 0.00 C ATOM 1001 CG GLU A 168 -14.277 0.767 7.046 1.00 0.00 C ATOM 1002 CD GLU A 168 -15.439 1.602 6.460 1.00 0.00 C ATOM 1003 OE1 GLU A 168 -16.596 1.390 6.898 1.00 0.00 O ATOM 1004 OE2 GLU A 168 -15.229 2.468 5.576 1.00 0.00 O ATOM 0 H GLU A 168 -10.692 1.089 5.566 1.00 0.00 H new ATOM 0 HA GLU A 168 -11.720 0.710 8.196 1.00 0.00 H new ATOM 0 HB2 GLU A 168 -12.727 2.106 6.388 1.00 0.00 H new ATOM 0 HB3 GLU A 168 -12.922 0.687 5.377 1.00 0.00 H new ATOM 0 HG2 GLU A 168 -14.515 -0.291 6.933 1.00 0.00 H new ATOM 0 HG3 GLU A 168 -14.209 0.966 8.116 1.00 0.00 H new ATOM 1011 N ILE A 169 -11.588 -2.002 6.379 1.00 0.00 N ATOM 1012 CA ILE A 169 -11.607 -3.474 6.475 1.00 0.00 C ATOM 1013 C ILE A 169 -10.638 -3.973 7.562 1.00 0.00 C ATOM 1014 O ILE A 169 -10.960 -4.922 8.279 1.00 0.00 O ATOM 1015 CB ILE A 169 -11.295 -4.098 5.097 1.00 0.00 C ATOM 1016 CG1 ILE A 169 -12.435 -3.774 4.101 1.00 0.00 C ATOM 1017 CG2 ILE A 169 -11.103 -5.624 5.172 1.00 0.00 C ATOM 1018 CD1 ILE A 169 -12.028 -3.937 2.636 1.00 0.00 C ATOM 0 H ILE A 169 -11.209 -1.660 5.496 1.00 0.00 H new ATOM 0 HA ILE A 169 -12.606 -3.793 6.772 1.00 0.00 H new ATOM 0 HB ILE A 169 -10.357 -3.662 4.754 1.00 0.00 H new ATOM 0 HG12 ILE A 169 -13.284 -4.425 4.309 1.00 0.00 H new ATOM 0 HG13 ILE A 169 -12.770 -2.750 4.265 1.00 0.00 H new ATOM 0 HG21 ILE A 169 -10.886 -6.013 4.177 1.00 0.00 H new ATOM 0 HG22 ILE A 169 -10.273 -5.854 5.840 1.00 0.00 H new ATOM 0 HG23 ILE A 169 -12.014 -6.087 5.552 1.00 0.00 H new ATOM 0 HD11 ILE A 169 -12.875 -3.694 1.994 1.00 0.00 H new ATOM 0 HD12 ILE A 169 -11.198 -3.266 2.412 1.00 0.00 H new ATOM 0 HD13 ILE A 169 -11.720 -4.967 2.456 1.00 0.00 H new ATOM 1030 N HIS A 170 -9.493 -3.290 7.719 1.00 0.00 N ATOM 1031 CA HIS A 170 -8.452 -3.464 8.753 1.00 0.00 C ATOM 1032 C HIS A 170 -7.680 -4.792 8.683 1.00 0.00 C ATOM 1033 O HIS A 170 -6.452 -4.775 8.614 1.00 0.00 O ATOM 1034 CB HIS A 170 -9.066 -3.190 10.141 1.00 0.00 C ATOM 1035 CG HIS A 170 -8.113 -3.062 11.310 1.00 0.00 C ATOM 1036 ND1 HIS A 170 -8.514 -3.045 12.651 1.00 0.00 N ATOM 1037 CD2 HIS A 170 -6.753 -2.935 11.264 1.00 0.00 C ATOM 1038 CE1 HIS A 170 -7.390 -2.925 13.377 1.00 0.00 C ATOM 1039 NE2 HIS A 170 -6.320 -2.861 12.570 1.00 0.00 N ATOM 0 H HIS A 170 -9.248 -2.539 7.074 1.00 0.00 H new ATOM 0 HA HIS A 170 -7.674 -2.728 8.553 1.00 0.00 H new ATOM 0 HB2 HIS A 170 -9.646 -2.270 10.077 1.00 0.00 H new ATOM 0 HB3 HIS A 170 -9.767 -3.994 10.364 1.00 0.00 H new ATOM 0 HD2 HIS A 170 -6.138 -2.900 10.377 1.00 0.00 H new ATOM 0 HE1 HIS A 170 -7.353 -2.886 14.456 1.00 0.00 H new ATOM 0 HE2 HIS A 170 -5.350 -2.773 12.872 1.00 0.00 H new ATOM 1047 N PHE A 171 -8.374 -5.929 8.638 1.00 0.00 N ATOM 1048 CA PHE A 171 -7.804 -7.272 8.494 1.00 0.00 C ATOM 1049 C PHE A 171 -8.037 -7.955 7.138 1.00 0.00 C ATOM 1050 O PHE A 171 -9.180 -8.071 6.690 1.00 0.00 O ATOM 1051 CB PHE A 171 -8.119 -8.142 9.716 1.00 0.00 C ATOM 1052 CG PHE A 171 -7.324 -7.760 10.954 1.00 0.00 C ATOM 1053 CD1 PHE A 171 -7.887 -6.901 11.917 1.00 0.00 C ATOM 1054 CD2 PHE A 171 -6.012 -8.241 11.135 1.00 0.00 C ATOM 1055 CE1 PHE A 171 -7.150 -6.536 13.057 1.00 0.00 C ATOM 1056 CE2 PHE A 171 -5.277 -7.880 12.279 1.00 0.00 C ATOM 1057 CZ PHE A 171 -5.845 -7.024 13.240 1.00 0.00 C ATOM 0 H PHE A 171 -9.392 -5.942 8.704 1.00 0.00 H new ATOM 0 HA PHE A 171 -6.723 -7.133 8.476 1.00 0.00 H new ATOM 0 HB2 PHE A 171 -9.183 -8.068 9.940 1.00 0.00 H new ATOM 0 HB3 PHE A 171 -7.917 -9.185 9.471 1.00 0.00 H new ATOM 0 HD1 PHE A 171 -8.889 -6.521 11.779 1.00 0.00 H new ATOM 0 HD2 PHE A 171 -5.569 -8.889 10.393 1.00 0.00 H new ATOM 0 HE1 PHE A 171 -7.588 -5.879 13.794 1.00 0.00 H new ATOM 0 HE2 PHE A 171 -4.276 -8.260 12.420 1.00 0.00 H new ATOM 0 HZ PHE A 171 -5.280 -6.743 14.116 1.00 0.00 H new ATOM 1067 N HIS A 172 -6.964 -8.404 6.481 1.00 0.00 N ATOM 1068 CA HIS A 172 -6.954 -8.879 5.087 1.00 0.00 C ATOM 1069 C HIS A 172 -6.219 -10.220 4.931 1.00 0.00 C ATOM 1070 O HIS A 172 -5.344 -10.555 5.725 1.00 0.00 O ATOM 1071 CB HIS A 172 -6.307 -7.803 4.195 1.00 0.00 C ATOM 1072 CG HIS A 172 -7.111 -6.539 3.995 1.00 0.00 C ATOM 1073 ND1 HIS A 172 -7.830 -6.216 2.839 1.00 0.00 N ATOM 1074 CD2 HIS A 172 -7.197 -5.490 4.867 1.00 0.00 C ATOM 1075 CE1 HIS A 172 -8.302 -4.973 3.034 1.00 0.00 C ATOM 1076 NE2 HIS A 172 -7.927 -4.514 4.237 1.00 0.00 N ATOM 0 H HIS A 172 -6.043 -8.450 6.917 1.00 0.00 H new ATOM 0 HA HIS A 172 -7.985 -9.051 4.779 1.00 0.00 H new ATOM 0 HB2 HIS A 172 -5.343 -7.533 4.626 1.00 0.00 H new ATOM 0 HB3 HIS A 172 -6.107 -8.242 3.217 1.00 0.00 H new ATOM 0 HD2 HIS A 172 -6.773 -5.439 5.859 1.00 0.00 H new ATOM 0 HE1 HIS A 172 -8.899 -4.422 2.323 1.00 0.00 H new ATOM 0 HE2 HIS A 172 -8.147 -3.594 4.619 1.00 0.00 H new ATOM 1084 N GLU A 173 -6.540 -10.986 3.888 1.00 0.00 N ATOM 1085 CA GLU A 173 -5.873 -12.257 3.557 1.00 0.00 C ATOM 1086 C GLU A 173 -4.982 -12.116 2.307 1.00 0.00 C ATOM 1087 O GLU A 173 -5.454 -11.666 1.261 1.00 0.00 O ATOM 1088 CB GLU A 173 -6.943 -13.352 3.407 1.00 0.00 C ATOM 1089 CG GLU A 173 -6.366 -14.743 3.103 1.00 0.00 C ATOM 1090 CD GLU A 173 -7.443 -15.850 3.014 1.00 0.00 C ATOM 1091 OE1 GLU A 173 -7.080 -16.996 2.654 1.00 0.00 O ATOM 1092 OE2 GLU A 173 -8.641 -15.606 3.298 1.00 0.00 O ATOM 0 H GLU A 173 -7.284 -10.741 3.234 1.00 0.00 H new ATOM 0 HA GLU A 173 -5.199 -12.543 4.365 1.00 0.00 H new ATOM 0 HB2 GLU A 173 -7.528 -13.404 4.325 1.00 0.00 H new ATOM 0 HB3 GLU A 173 -7.629 -13.070 2.608 1.00 0.00 H new ATOM 0 HG2 GLU A 173 -5.818 -14.703 2.161 1.00 0.00 H new ATOM 0 HG3 GLU A 173 -5.647 -15.007 3.879 1.00 0.00 H new ATOM 1099 N ILE A 174 -3.707 -12.517 2.405 1.00 0.00 N ATOM 1100 CA ILE A 174 -2.705 -12.480 1.320 1.00 0.00 C ATOM 1101 C ILE A 174 -1.906 -13.787 1.333 1.00 0.00 C ATOM 1102 O ILE A 174 -1.333 -14.146 2.359 1.00 0.00 O ATOM 1103 CB ILE A 174 -1.770 -11.249 1.458 1.00 0.00 C ATOM 1104 CG1 ILE A 174 -2.586 -9.950 1.262 1.00 0.00 C ATOM 1105 CG2 ILE A 174 -0.590 -11.336 0.465 1.00 0.00 C ATOM 1106 CD1 ILE A 174 -1.777 -8.650 1.282 1.00 0.00 C ATOM 0 H ILE A 174 -3.326 -12.891 3.274 1.00 0.00 H new ATOM 0 HA ILE A 174 -3.218 -12.382 0.363 1.00 0.00 H new ATOM 0 HB ILE A 174 -1.342 -11.238 2.461 1.00 0.00 H new ATOM 0 HG12 ILE A 174 -3.113 -10.014 0.310 1.00 0.00 H new ATOM 0 HG13 ILE A 174 -3.344 -9.897 2.044 1.00 0.00 H new ATOM 0 HG21 ILE A 174 0.050 -10.461 0.583 1.00 0.00 H new ATOM 0 HG22 ILE A 174 -0.012 -12.238 0.665 1.00 0.00 H new ATOM 0 HG23 ILE A 174 -0.974 -11.370 -0.554 1.00 0.00 H new ATOM 0 HD11 ILE A 174 -2.447 -7.802 1.136 1.00 0.00 H new ATOM 0 HD12 ILE A 174 -1.271 -8.551 2.242 1.00 0.00 H new ATOM 0 HD13 ILE A 174 -1.037 -8.670 0.482 1.00 0.00 H new ATOM 1118 N ASN A 175 -1.863 -14.514 0.210 1.00 0.00 N ATOM 1119 CA ASN A 175 -1.233 -15.841 0.106 1.00 0.00 C ATOM 1120 C ASN A 175 -1.697 -16.827 1.211 1.00 0.00 C ATOM 1121 O ASN A 175 -0.912 -17.609 1.753 1.00 0.00 O ATOM 1122 CB ASN A 175 0.300 -15.703 -0.029 1.00 0.00 C ATOM 1123 CG ASN A 175 0.758 -15.108 -1.354 1.00 0.00 C ATOM 1124 OD1 ASN A 175 0.168 -15.304 -2.408 1.00 0.00 O ATOM 1125 ND2 ASN A 175 1.872 -14.422 -1.345 1.00 0.00 N ATOM 0 H ASN A 175 -2.271 -14.194 -0.668 1.00 0.00 H new ATOM 0 HA ASN A 175 -1.584 -16.310 -0.813 1.00 0.00 H new ATOM 0 HB2 ASN A 175 0.671 -15.079 0.784 1.00 0.00 H new ATOM 0 HB3 ASN A 175 0.754 -16.686 0.091 1.00 0.00 H new ATOM 0 HD21 ASN A 175 2.249 -14.050 -2.217 1.00 0.00 H new ATOM 0 HD22 ASN A 175 2.363 -14.259 -0.466 1.00 0.00 H new ATOM 1132 N ASN A 176 -2.979 -16.737 1.589 1.00 0.00 N ATOM 1133 CA ASN A 176 -3.633 -17.419 2.719 1.00 0.00 C ATOM 1134 C ASN A 176 -3.096 -17.093 4.137 1.00 0.00 C ATOM 1135 O ASN A 176 -3.554 -17.684 5.119 1.00 0.00 O ATOM 1136 CB ASN A 176 -3.787 -18.927 2.434 1.00 0.00 C ATOM 1137 CG ASN A 176 -4.501 -19.236 1.127 1.00 0.00 C ATOM 1138 OD1 ASN A 176 -3.970 -19.902 0.248 1.00 0.00 O ATOM 1139 ND2 ASN A 176 -5.720 -18.781 0.941 1.00 0.00 N ATOM 0 H ASN A 176 -3.634 -16.145 1.079 1.00 0.00 H new ATOM 0 HA ASN A 176 -4.629 -16.980 2.773 1.00 0.00 H new ATOM 0 HB2 ASN A 176 -2.799 -19.386 2.414 1.00 0.00 H new ATOM 0 HB3 ASN A 176 -4.336 -19.388 3.255 1.00 0.00 H new ATOM 0 HD21 ASN A 176 -6.213 -18.984 0.071 1.00 0.00 H new ATOM 0 HD22 ASN A 176 -6.173 -18.225 1.666 1.00 0.00 H new ATOM 1146 N LYS A 177 -2.171 -16.133 4.272 1.00 0.00 N ATOM 1147 CA LYS A 177 -1.712 -15.544 5.544 1.00 0.00 C ATOM 1148 C LYS A 177 -2.580 -14.326 5.903 1.00 0.00 C ATOM 1149 O LYS A 177 -3.004 -13.579 5.020 1.00 0.00 O ATOM 1150 CB LYS A 177 -0.217 -15.196 5.394 1.00 0.00 C ATOM 1151 CG LYS A 177 0.491 -14.637 6.637 1.00 0.00 C ATOM 1152 CD LYS A 177 0.655 -15.644 7.787 1.00 0.00 C ATOM 1153 CE LYS A 177 1.783 -15.239 8.754 1.00 0.00 C ATOM 1154 NZ LYS A 177 1.546 -13.922 9.397 1.00 0.00 N ATOM 0 H LYS A 177 -1.700 -15.726 3.464 1.00 0.00 H new ATOM 0 HA LYS A 177 -1.819 -16.247 6.370 1.00 0.00 H new ATOM 0 HB2 LYS A 177 0.311 -16.095 5.078 1.00 0.00 H new ATOM 0 HB3 LYS A 177 -0.117 -14.468 4.589 1.00 0.00 H new ATOM 0 HG2 LYS A 177 1.477 -14.275 6.345 1.00 0.00 H new ATOM 0 HG3 LYS A 177 -0.070 -13.777 7.002 1.00 0.00 H new ATOM 0 HD2 LYS A 177 -0.283 -15.722 8.337 1.00 0.00 H new ATOM 0 HD3 LYS A 177 0.867 -16.631 7.377 1.00 0.00 H new ATOM 0 HE2 LYS A 177 1.885 -16.002 9.526 1.00 0.00 H new ATOM 0 HE3 LYS A 177 2.727 -15.208 8.210 1.00 0.00 H new ATOM 0 HZ1 LYS A 177 2.336 -13.701 10.036 1.00 0.00 H new ATOM 0 HZ2 LYS A 177 1.476 -13.186 8.665 1.00 0.00 H new ATOM 0 HZ3 LYS A 177 0.660 -13.955 9.940 1.00 0.00 H new ATOM 1168 N MET A 178 -2.852 -14.120 7.191 1.00 0.00 N ATOM 1169 CA MET A 178 -3.606 -12.971 7.705 1.00 0.00 C ATOM 1170 C MET A 178 -2.682 -11.763 7.923 1.00 0.00 C ATOM 1171 O MET A 178 -1.608 -11.903 8.516 1.00 0.00 O ATOM 1172 CB MET A 178 -4.366 -13.392 8.977 1.00 0.00 C ATOM 1173 CG MET A 178 -4.983 -12.228 9.759 1.00 0.00 C ATOM 1174 SD MET A 178 -6.118 -11.163 8.828 1.00 0.00 S ATOM 1175 CE MET A 178 -7.589 -12.205 8.660 1.00 0.00 C ATOM 0 H MET A 178 -2.549 -14.760 7.925 1.00 0.00 H new ATOM 0 HA MET A 178 -4.345 -12.650 6.971 1.00 0.00 H new ATOM 0 HB2 MET A 178 -5.158 -14.088 8.699 1.00 0.00 H new ATOM 0 HB3 MET A 178 -3.683 -13.932 9.632 1.00 0.00 H new ATOM 0 HG2 MET A 178 -5.518 -12.635 10.617 1.00 0.00 H new ATOM 0 HG3 MET A 178 -4.175 -11.610 10.151 1.00 0.00 H new ATOM 0 HE1 MET A 178 -8.357 -11.664 8.107 1.00 0.00 H new ATOM 0 HE2 MET A 178 -7.329 -13.117 8.122 1.00 0.00 H new ATOM 0 HE3 MET A 178 -7.968 -12.462 9.649 1.00 0.00 H new ATOM 1185 N VAL A 179 -3.115 -10.584 7.469 1.00 0.00 N ATOM 1186 CA VAL A 179 -2.400 -9.304 7.577 1.00 0.00 C ATOM 1187 C VAL A 179 -3.253 -8.170 8.142 1.00 0.00 C ATOM 1188 O VAL A 179 -4.472 -8.131 7.972 1.00 0.00 O ATOM 1189 CB VAL A 179 -1.712 -8.871 6.263 1.00 0.00 C ATOM 1190 CG1 VAL A 179 -0.912 -10.008 5.639 1.00 0.00 C ATOM 1191 CG2 VAL A 179 -2.665 -8.314 5.200 1.00 0.00 C ATOM 0 H VAL A 179 -4.013 -10.488 6.995 1.00 0.00 H new ATOM 0 HA VAL A 179 -1.613 -9.504 8.304 1.00 0.00 H new ATOM 0 HB VAL A 179 -1.050 -8.062 6.572 1.00 0.00 H new ATOM 0 HG11 VAL A 179 -0.445 -9.661 4.717 1.00 0.00 H new ATOM 0 HG12 VAL A 179 -0.141 -10.335 6.336 1.00 0.00 H new ATOM 0 HG13 VAL A 179 -1.578 -10.842 5.417 1.00 0.00 H new ATOM 0 HG21 VAL A 179 -2.097 -8.036 4.312 1.00 0.00 H new ATOM 0 HG22 VAL A 179 -3.401 -9.074 4.937 1.00 0.00 H new ATOM 0 HG23 VAL A 179 -3.176 -7.436 5.594 1.00 0.00 H new ATOM 1201 N GLU A 180 -2.585 -7.218 8.787 1.00 0.00 N ATOM 1202 CA GLU A 180 -3.176 -5.971 9.287 1.00 0.00 C ATOM 1203 C GLU A 180 -2.792 -4.791 8.383 1.00 0.00 C ATOM 1204 O GLU A 180 -1.603 -4.510 8.202 1.00 0.00 O ATOM 1205 CB GLU A 180 -2.721 -5.711 10.732 1.00 0.00 C ATOM 1206 CG GLU A 180 -3.523 -4.566 11.372 1.00 0.00 C ATOM 1207 CD GLU A 180 -2.987 -4.100 12.738 1.00 0.00 C ATOM 1208 OE1 GLU A 180 -1.878 -4.509 13.158 1.00 0.00 O ATOM 1209 OE2 GLU A 180 -3.652 -3.252 13.375 1.00 0.00 O ATOM 0 H GLU A 180 -1.587 -7.291 8.984 1.00 0.00 H new ATOM 0 HA GLU A 180 -4.261 -6.072 9.275 1.00 0.00 H new ATOM 0 HB2 GLU A 180 -2.844 -6.619 11.323 1.00 0.00 H new ATOM 0 HB3 GLU A 180 -1.659 -5.465 10.743 1.00 0.00 H new ATOM 0 HG2 GLU A 180 -3.529 -3.717 10.689 1.00 0.00 H new ATOM 0 HG3 GLU A 180 -4.558 -4.886 11.492 1.00 0.00 H new ATOM 1216 N CYS A 181 -3.789 -4.074 7.860 1.00 0.00 N ATOM 1217 CA CYS A 181 -3.622 -2.857 7.064 1.00 0.00 C ATOM 1218 C CYS A 181 -3.981 -1.609 7.882 1.00 0.00 C ATOM 1219 O CYS A 181 -5.048 -1.553 8.502 1.00 0.00 O ATOM 1220 CB CYS A 181 -4.475 -2.938 5.797 1.00 0.00 C ATOM 1221 SG CYS A 181 -3.961 -4.369 4.816 1.00 0.00 S ATOM 0 H CYS A 181 -4.768 -4.334 7.983 1.00 0.00 H new ATOM 0 HA CYS A 181 -2.574 -2.775 6.776 1.00 0.00 H new ATOM 0 HB2 CYS A 181 -5.529 -3.024 6.060 1.00 0.00 H new ATOM 0 HB3 CYS A 181 -4.365 -2.024 5.213 1.00 0.00 H new ATOM 0 HG CYS A 181 -3.940 -4.047 3.557 1.00 0.00 H new ATOM 1227 N LYS A 182 -3.104 -0.602 7.867 1.00 0.00 N ATOM 1228 CA LYS A 182 -3.204 0.620 8.687 1.00 0.00 C ATOM 1229 C LYS A 182 -2.498 1.802 8.023 1.00 0.00 C ATOM 1230 O LYS A 182 -1.490 1.602 7.355 1.00 0.00 O ATOM 1231 CB LYS A 182 -2.694 0.338 10.120 1.00 0.00 C ATOM 1232 CG LYS A 182 -1.407 -0.498 10.249 1.00 0.00 C ATOM 1233 CD LYS A 182 -1.170 -0.920 11.707 1.00 0.00 C ATOM 1234 CE LYS A 182 -0.020 -1.932 11.776 1.00 0.00 C ATOM 1235 NZ LYS A 182 0.100 -2.558 13.114 1.00 0.00 N ATOM 0 H LYS A 182 -2.278 -0.609 7.268 1.00 0.00 H new ATOM 0 HA LYS A 182 -4.252 0.910 8.765 1.00 0.00 H new ATOM 0 HB2 LYS A 182 -2.528 1.295 10.616 1.00 0.00 H new ATOM 0 HB3 LYS A 182 -3.486 -0.172 10.668 1.00 0.00 H new ATOM 0 HG2 LYS A 182 -1.479 -1.383 9.617 1.00 0.00 H new ATOM 0 HG3 LYS A 182 -0.556 0.081 9.891 1.00 0.00 H new ATOM 0 HD2 LYS A 182 -0.934 -0.046 12.314 1.00 0.00 H new ATOM 0 HD3 LYS A 182 -2.078 -1.359 12.120 1.00 0.00 H new ATOM 0 HE2 LYS A 182 -0.177 -2.708 11.027 1.00 0.00 H new ATOM 0 HE3 LYS A 182 0.916 -1.432 11.526 1.00 0.00 H new ATOM 0 HZ1 LYS A 182 1.085 -2.852 13.273 1.00 0.00 H new ATOM 0 HZ2 LYS A 182 -0.178 -1.872 13.844 1.00 0.00 H new ATOM 0 HZ3 LYS A 182 -0.522 -3.390 13.165 1.00 0.00 H new ATOM 1249 N LYS A 183 -3.007 3.031 8.169 1.00 0.00 N ATOM 1250 CA LYS A 183 -2.426 4.230 7.522 1.00 0.00 C ATOM 1251 C LYS A 183 -0.964 4.456 7.924 1.00 0.00 C ATOM 1252 O LYS A 183 -0.613 4.309 9.097 1.00 0.00 O ATOM 1253 CB LYS A 183 -3.275 5.479 7.811 1.00 0.00 C ATOM 1254 CG LYS A 183 -4.624 5.424 7.079 1.00 0.00 C ATOM 1255 CD LYS A 183 -5.499 6.628 7.442 1.00 0.00 C ATOM 1256 CE LYS A 183 -6.846 6.502 6.726 1.00 0.00 C ATOM 1257 NZ LYS A 183 -7.770 7.602 7.092 1.00 0.00 N ATOM 0 H LYS A 183 -3.831 3.230 8.736 1.00 0.00 H new ATOM 0 HA LYS A 183 -2.437 4.048 6.447 1.00 0.00 H new ATOM 0 HB2 LYS A 183 -3.445 5.564 8.884 1.00 0.00 H new ATOM 0 HB3 LYS A 183 -2.729 6.371 7.503 1.00 0.00 H new ATOM 0 HG2 LYS A 183 -4.456 5.404 6.002 1.00 0.00 H new ATOM 0 HG3 LYS A 183 -5.144 4.502 7.338 1.00 0.00 H new ATOM 0 HD2 LYS A 183 -5.649 6.672 8.521 1.00 0.00 H new ATOM 0 HD3 LYS A 183 -5.004 7.554 7.151 1.00 0.00 H new ATOM 0 HE2 LYS A 183 -6.686 6.505 5.648 1.00 0.00 H new ATOM 0 HE3 LYS A 183 -7.303 5.545 6.977 1.00 0.00 H new ATOM 0 HZ1 LYS A 183 -8.717 7.402 6.710 1.00 0.00 H new ATOM 0 HZ2 LYS A 183 -7.824 7.680 8.128 1.00 0.00 H new ATOM 0 HZ3 LYS A 183 -7.419 8.497 6.695 1.00 0.00 H new ATOM 1271 N ALA A 184 -0.115 4.804 6.958 1.00 0.00 N ATOM 1272 CA ALA A 184 1.320 4.970 7.182 1.00 0.00 C ATOM 1273 C ALA A 184 1.634 6.174 8.099 1.00 0.00 C ATOM 1274 O ALA A 184 1.146 7.283 7.870 1.00 0.00 O ATOM 1275 CB ALA A 184 2.018 5.084 5.823 1.00 0.00 C ATOM 0 H ALA A 184 -0.404 4.979 5.996 1.00 0.00 H new ATOM 0 HA ALA A 184 1.701 4.096 7.710 1.00 0.00 H new ATOM 0 HB1 ALA A 184 3.090 5.208 5.974 1.00 0.00 H new ATOM 0 HB2 ALA A 184 1.836 4.179 5.243 1.00 0.00 H new ATOM 0 HB3 ALA A 184 1.625 5.946 5.283 1.00 0.00 H new