USER MOD reduce.3.24.130724 H: found=0, std=0, add=491, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 492 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 149 SER OG : rot -71:sc= 1.35 USER MOD Set 1.2: A 152 CYS SG : rot -105:sc= 1.14 USER MOD Single : A 103 MET CE :methyl 128:sc= -0.166 (180deg=-0.961) USER MOD Single : A 106 THR OG1 : rot 180:sc= 0 USER MOD Single : A 109 GLN : amide:sc= 0 K(o=0,f=-1.3) USER MOD Single : A 112 ASN : amide:sc= -0.86 K(o=-0.86,f=-2.5!) USER MOD Single : A 113 LYS NZ :NH3+ -109:sc= -0.986 (180deg=-3.16!) USER MOD Single : A 116 THR OG1 : rot 180:sc= 0 USER MOD Single : A 117 SER OG : rot 180:sc= 0 USER MOD Single : A 121 GLN : amide:sc= 1.14 K(o=1.1,f=-6.8!) USER MOD Single : A 125 TYR OH : rot 180:sc= 0 USER MOD Single : A 126 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.0559) USER MOD Single : A 130 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 131 SER OG : rot 100:sc= -0.979 USER MOD Single : A 132 ASN : amide:sc= -0.431 K(o=-0.43,f=-3.3!) USER MOD Single : A 133 TYR OH : rot 180:sc= 0 USER MOD Single : A 135 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 136 TYR OH : rot 180:sc= 0 USER MOD Single : A 139 SER OG : rot 180:sc= 0 USER MOD Single : A 143 THR OG1 : rot 80:sc= 0.0885 USER MOD Single : A 148 SER OG : rot 180:sc= 0 USER MOD Single : A 153 MET CE :methyl -125:sc= -0.477 (180deg=-3.44!) USER MOD Single : A 156 TYR OH : rot 180:sc= 0 USER MOD Single : A 157 MET CE :methyl 152:sc= -0.18 (180deg=-1.33!) USER MOD Single : A 161 GLN : amide:sc= -0.43 X(o=-0.43,f=0) USER MOD ----------------------------------------------------------------- ATOM 100 N MET A 103 60.552 10.926 -11.156 1.00 0.00 N ATOM 101 CA MET A 103 60.121 10.486 -9.832 1.00 0.00 C ATOM 102 C MET A 103 61.329 10.155 -8.961 1.00 0.00 C ATOM 103 O MET A 103 61.431 10.610 -7.821 1.00 0.00 O ATOM 104 CB MET A 103 59.220 9.256 -9.954 1.00 0.00 C ATOM 105 CG MET A 103 57.887 9.661 -10.587 1.00 0.00 C ATOM 106 SD MET A 103 56.750 8.252 -10.551 1.00 0.00 S ATOM 107 CE MET A 103 56.408 8.283 -8.775 1.00 0.00 C ATOM 0 HA MET A 103 59.561 11.296 -9.365 1.00 0.00 H new ATOM 0 HB2 MET A 103 59.707 8.494 -10.562 1.00 0.00 H new ATOM 0 HB3 MET A 103 59.050 8.818 -8.971 1.00 0.00 H new ATOM 0 HG2 MET A 103 57.456 10.504 -10.046 1.00 0.00 H new ATOM 0 HG3 MET A 103 58.045 9.989 -11.615 1.00 0.00 H new ATOM 0 HE1 MET A 103 55.330 8.292 -8.612 1.00 0.00 H new ATOM 0 HE2 MET A 103 56.839 7.398 -8.306 1.00 0.00 H new ATOM 0 HE3 MET A 103 56.849 9.178 -8.335 1.00 0.00 H new ATOM 117 N LEU A 104 62.255 9.380 -9.515 1.00 0.00 N ATOM 118 CA LEU A 104 63.447 8.983 -8.772 1.00 0.00 C ATOM 119 C LEU A 104 64.206 10.208 -8.271 1.00 0.00 C ATOM 120 O LEU A 104 64.611 10.265 -7.111 1.00 0.00 O ATOM 121 CB LEU A 104 64.368 8.147 -9.667 1.00 0.00 C ATOM 122 CG LEU A 104 63.626 6.901 -10.155 1.00 0.00 C ATOM 123 CD1 LEU A 104 64.499 6.148 -11.162 1.00 0.00 C ATOM 124 CD2 LEU A 104 63.324 5.987 -8.964 1.00 0.00 C ATOM 0 H LEU A 104 62.205 9.017 -10.467 1.00 0.00 H new ATOM 0 HA LEU A 104 63.131 8.389 -7.914 1.00 0.00 H new ATOM 0 HB2 LEU A 104 64.699 8.741 -10.519 1.00 0.00 H new ATOM 0 HB3 LEU A 104 65.261 7.856 -9.114 1.00 0.00 H new ATOM 0 HG LEU A 104 62.693 7.200 -10.632 1.00 0.00 H new ATOM 0 HD11 LEU A 104 63.970 5.260 -11.510 1.00 0.00 H new ATOM 0 HD12 LEU A 104 64.717 6.796 -12.011 1.00 0.00 H new ATOM 0 HD13 LEU A 104 65.432 5.850 -10.684 1.00 0.00 H new ATOM 0 HD21 LEU A 104 62.795 5.099 -9.311 1.00 0.00 H new ATOM 0 HD22 LEU A 104 64.258 5.690 -8.487 1.00 0.00 H new ATOM 0 HD23 LEU A 104 62.703 6.520 -8.244 1.00 0.00 H new ATOM 136 N ALA A 105 64.371 11.200 -9.140 1.00 0.00 N ATOM 137 CA ALA A 105 65.149 12.382 -8.789 1.00 0.00 C ATOM 138 C ALA A 105 64.536 13.120 -7.604 1.00 0.00 C ATOM 139 O ALA A 105 65.229 13.435 -6.640 1.00 0.00 O ATOM 140 CB ALA A 105 65.237 13.326 -9.990 1.00 0.00 C ATOM 0 H ALA A 105 63.981 11.210 -10.082 1.00 0.00 H new ATOM 0 HA ALA A 105 66.149 12.052 -8.506 1.00 0.00 H new ATOM 0 HB1 ALA A 105 65.820 14.206 -9.719 1.00 0.00 H new ATOM 0 HB2 ALA A 105 65.720 12.813 -10.822 1.00 0.00 H new ATOM 0 HB3 ALA A 105 64.234 13.632 -10.286 1.00 0.00 H new ATOM 146 N THR A 106 63.232 13.376 -7.660 1.00 0.00 N ATOM 147 CA THR A 106 62.557 14.101 -6.585 1.00 0.00 C ATOM 148 C THR A 106 62.808 13.441 -5.229 1.00 0.00 C ATOM 149 O THR A 106 63.262 14.088 -4.284 1.00 0.00 O ATOM 150 CB THR A 106 61.052 14.153 -6.856 1.00 0.00 C ATOM 151 OG1 THR A 106 60.826 14.666 -8.161 1.00 0.00 O ATOM 152 CG2 THR A 106 60.375 15.060 -5.825 1.00 0.00 C ATOM 0 H THR A 106 62.625 13.096 -8.430 1.00 0.00 H new ATOM 0 HA THR A 106 62.962 15.113 -6.556 1.00 0.00 H new ATOM 0 HB THR A 106 60.635 13.149 -6.781 1.00 0.00 H new ATOM 0 HG1 THR A 106 59.863 14.699 -8.337 1.00 0.00 H new ATOM 0 HG21 THR A 106 59.303 15.096 -6.020 1.00 0.00 H new ATOM 0 HG22 THR A 106 60.549 14.666 -4.824 1.00 0.00 H new ATOM 0 HG23 THR A 106 60.790 16.065 -5.896 1.00 0.00 H new ATOM 160 N ARG A 107 62.532 12.144 -5.146 1.00 0.00 N ATOM 161 CA ARG A 107 62.708 11.420 -3.893 1.00 0.00 C ATOM 162 C ARG A 107 64.143 11.547 -3.384 1.00 0.00 C ATOM 163 O ARG A 107 64.365 11.800 -2.199 1.00 0.00 O ATOM 164 CB ARG A 107 62.351 9.945 -4.090 1.00 0.00 C ATOM 165 CG ARG A 107 60.892 9.829 -4.537 1.00 0.00 C ATOM 166 CD ARG A 107 59.964 10.137 -3.361 1.00 0.00 C ATOM 167 NE ARG A 107 58.573 9.849 -3.724 1.00 0.00 N ATOM 168 CZ ARG A 107 57.780 10.721 -4.365 1.00 0.00 C ATOM 169 NH1 ARG A 107 58.195 11.912 -4.721 1.00 0.00 N ATOM 170 NH2 ARG A 107 56.554 10.371 -4.643 1.00 0.00 N ATOM 0 H ARG A 107 62.189 11.578 -5.922 1.00 0.00 H new ATOM 0 HA ARG A 107 62.043 11.857 -3.148 1.00 0.00 H new ATOM 0 HB2 ARG A 107 63.008 9.497 -4.836 1.00 0.00 H new ATOM 0 HB3 ARG A 107 62.503 9.396 -3.161 1.00 0.00 H new ATOM 0 HG2 ARG A 107 60.697 10.521 -5.357 1.00 0.00 H new ATOM 0 HG3 ARG A 107 60.696 8.825 -4.914 1.00 0.00 H new ATOM 0 HD2 ARG A 107 60.252 9.541 -2.495 1.00 0.00 H new ATOM 0 HD3 ARG A 107 60.063 11.184 -3.075 1.00 0.00 H new ATOM 0 HE ARG A 107 58.188 8.938 -3.476 1.00 0.00 H new ATOM 0 HH11 ARG A 107 59.150 12.203 -4.512 1.00 0.00 H new ATOM 0 HH12 ARG A 107 57.563 12.548 -5.207 1.00 0.00 H new ATOM 0 HH21 ARG A 107 56.214 9.448 -4.373 1.00 0.00 H new ATOM 0 HH22 ARG A 107 55.936 11.020 -5.130 1.00 0.00 H new ATOM 184 N GLU A 108 65.116 11.393 -4.281 1.00 0.00 N ATOM 185 CA GLU A 108 66.517 11.474 -3.881 1.00 0.00 C ATOM 186 C GLU A 108 66.830 12.844 -3.289 1.00 0.00 C ATOM 187 O GLU A 108 67.551 12.942 -2.300 1.00 0.00 O ATOM 188 CB GLU A 108 67.431 11.199 -5.079 1.00 0.00 C ATOM 189 CG GLU A 108 68.895 11.171 -4.616 1.00 0.00 C ATOM 190 CD GLU A 108 69.846 10.785 -5.753 1.00 0.00 C ATOM 191 OE1 GLU A 108 69.420 10.741 -6.898 1.00 0.00 O ATOM 192 OE2 GLU A 108 71.003 10.533 -5.456 1.00 0.00 O ATOM 0 H GLU A 108 64.963 11.214 -5.273 1.00 0.00 H new ATOM 0 HA GLU A 108 66.698 10.717 -3.118 1.00 0.00 H new ATOM 0 HB2 GLU A 108 67.167 10.247 -5.540 1.00 0.00 H new ATOM 0 HB3 GLU A 108 67.294 11.969 -5.838 1.00 0.00 H new ATOM 0 HG2 GLU A 108 69.172 12.151 -4.228 1.00 0.00 H new ATOM 0 HG3 GLU A 108 69.003 10.461 -3.796 1.00 0.00 H new ATOM 199 N GLN A 109 66.280 13.896 -3.887 1.00 0.00 N ATOM 200 CA GLN A 109 66.542 15.250 -3.411 1.00 0.00 C ATOM 201 C GLN A 109 66.123 15.390 -1.953 1.00 0.00 C ATOM 202 O GLN A 109 66.855 15.945 -1.136 1.00 0.00 O ATOM 203 CB GLN A 109 65.782 16.266 -4.265 1.00 0.00 C ATOM 204 CG GLN A 109 66.402 16.326 -5.663 1.00 0.00 C ATOM 205 CD GLN A 109 65.591 17.254 -6.564 1.00 0.00 C ATOM 206 OE1 GLN A 109 64.410 17.497 -6.310 1.00 0.00 O ATOM 207 NE2 GLN A 109 66.158 17.791 -7.608 1.00 0.00 N ATOM 0 H GLN A 109 65.657 13.839 -4.693 1.00 0.00 H new ATOM 0 HA GLN A 109 67.612 15.443 -3.492 1.00 0.00 H new ATOM 0 HB2 GLN A 109 64.731 15.985 -4.334 1.00 0.00 H new ATOM 0 HB3 GLN A 109 65.819 17.250 -3.797 1.00 0.00 H new ATOM 0 HG2 GLN A 109 67.431 16.680 -5.597 1.00 0.00 H new ATOM 0 HG3 GLN A 109 66.436 15.326 -6.096 1.00 0.00 H new ATOM 0 HE21 GLN A 109 67.136 17.589 -7.818 1.00 0.00 H new ATOM 0 HE22 GLN A 109 65.624 18.413 -8.215 1.00 0.00 H new ATOM 216 N GLU A 110 64.952 14.854 -1.626 1.00 0.00 N ATOM 217 CA GLU A 110 64.448 14.937 -0.260 1.00 0.00 C ATOM 218 C GLU A 110 65.403 14.245 0.706 1.00 0.00 C ATOM 219 O GLU A 110 65.774 14.802 1.739 1.00 0.00 O ATOM 220 CB GLU A 110 63.066 14.289 -0.169 1.00 0.00 C ATOM 221 CG GLU A 110 62.074 15.070 -1.038 1.00 0.00 C ATOM 222 CD GLU A 110 60.657 14.509 -0.907 1.00 0.00 C ATOM 223 OE1 GLU A 110 60.509 13.366 -0.503 1.00 0.00 O ATOM 224 OE2 GLU A 110 59.730 15.241 -1.215 1.00 0.00 O ATOM 0 H GLU A 110 64.341 14.363 -2.279 1.00 0.00 H new ATOM 0 HA GLU A 110 64.371 15.989 0.014 1.00 0.00 H new ATOM 0 HB2 GLU A 110 63.117 13.252 -0.500 1.00 0.00 H new ATOM 0 HB3 GLU A 110 62.726 14.277 0.867 1.00 0.00 H new ATOM 0 HG2 GLU A 110 62.080 16.120 -0.746 1.00 0.00 H new ATOM 0 HG3 GLU A 110 62.389 15.028 -2.081 1.00 0.00 H new ATOM 231 N ALA A 111 65.820 13.035 0.351 1.00 0.00 N ATOM 232 CA ALA A 111 66.721 12.269 1.204 1.00 0.00 C ATOM 233 C ALA A 111 68.021 13.032 1.435 1.00 0.00 C ATOM 234 O ALA A 111 68.498 13.141 2.563 1.00 0.00 O ATOM 235 CB ALA A 111 67.029 10.917 0.556 1.00 0.00 C ATOM 0 H ALA A 111 65.551 12.566 -0.514 1.00 0.00 H new ATOM 0 HA ALA A 111 66.232 12.109 2.165 1.00 0.00 H new ATOM 0 HB1 ALA A 111 67.703 10.350 1.199 1.00 0.00 H new ATOM 0 HB2 ALA A 111 66.102 10.359 0.420 1.00 0.00 H new ATOM 0 HB3 ALA A 111 67.502 11.077 -0.413 1.00 0.00 H new ATOM 241 N ASN A 112 68.583 13.568 0.357 1.00 0.00 N ATOM 242 CA ASN A 112 69.848 14.290 0.442 1.00 0.00 C ATOM 243 C ASN A 112 69.735 15.473 1.398 1.00 0.00 C ATOM 244 O ASN A 112 70.641 15.731 2.190 1.00 0.00 O ATOM 245 CB ASN A 112 70.256 14.789 -0.946 1.00 0.00 C ATOM 246 CG ASN A 112 71.700 15.280 -0.925 1.00 0.00 C ATOM 247 OD1 ASN A 112 72.214 15.667 0.126 1.00 0.00 O ATOM 248 ND2 ASN A 112 72.392 15.288 -2.031 1.00 0.00 N ATOM 0 H ASN A 112 68.186 13.517 -0.581 1.00 0.00 H new ATOM 0 HA ASN A 112 70.607 13.607 0.823 1.00 0.00 H new ATOM 0 HB2 ASN A 112 70.148 13.986 -1.676 1.00 0.00 H new ATOM 0 HB3 ASN A 112 69.594 15.596 -1.259 1.00 0.00 H new ATOM 0 HD21 ASN A 112 73.358 15.615 -2.026 1.00 0.00 H new ATOM 0 HD22 ASN A 112 71.967 14.968 -2.901 1.00 0.00 H new ATOM 255 N LYS A 113 68.618 16.190 1.318 1.00 0.00 N ATOM 256 CA LYS A 113 68.406 17.347 2.178 1.00 0.00 C ATOM 257 C LYS A 113 68.448 16.925 3.642 1.00 0.00 C ATOM 258 O LYS A 113 69.105 17.559 4.467 1.00 0.00 O ATOM 259 CB LYS A 113 67.053 17.989 1.867 1.00 0.00 C ATOM 260 CG LYS A 113 66.978 19.370 2.521 1.00 0.00 C ATOM 261 CD LYS A 113 65.516 19.816 2.607 1.00 0.00 C ATOM 262 CE LYS A 113 64.993 20.130 1.204 1.00 0.00 C ATOM 263 NZ LYS A 113 64.534 18.871 0.552 1.00 0.00 N ATOM 0 H LYS A 113 67.853 15.992 0.673 1.00 0.00 H new ATOM 0 HA LYS A 113 69.198 18.072 1.992 1.00 0.00 H new ATOM 0 HB2 LYS A 113 66.921 18.078 0.789 1.00 0.00 H new ATOM 0 HB3 LYS A 113 66.246 17.356 2.236 1.00 0.00 H new ATOM 0 HG2 LYS A 113 67.418 19.336 3.518 1.00 0.00 H new ATOM 0 HG3 LYS A 113 67.555 20.090 1.942 1.00 0.00 H new ATOM 0 HD2 LYS A 113 64.912 19.032 3.064 1.00 0.00 H new ATOM 0 HD3 LYS A 113 65.431 20.697 3.244 1.00 0.00 H new ATOM 0 HE2 LYS A 113 64.171 20.843 1.262 1.00 0.00 H new ATOM 0 HE3 LYS A 113 65.777 20.596 0.608 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 65.196 18.612 -0.207 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 64.500 18.107 1.257 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 63.586 19.014 0.150 1.00 0.00 H new ATOM 277 N ASP A 114 67.737 15.847 3.952 1.00 0.00 N ATOM 278 CA ASP A 114 67.719 15.304 5.307 1.00 0.00 C ATOM 279 C ASP A 114 68.122 13.832 5.297 1.00 0.00 C ATOM 280 O ASP A 114 67.385 12.976 4.809 1.00 0.00 O ATOM 281 CB ASP A 114 66.318 15.445 5.907 1.00 0.00 C ATOM 282 CG ASP A 114 66.345 15.075 7.387 1.00 0.00 C ATOM 283 OD1 ASP A 114 66.653 15.943 8.187 1.00 0.00 O ATOM 284 OD2 ASP A 114 66.056 13.931 7.697 1.00 0.00 O ATOM 0 H ASP A 114 67.165 15.331 3.284 1.00 0.00 H new ATOM 0 HA ASP A 114 68.432 15.863 5.913 1.00 0.00 H new ATOM 0 HB2 ASP A 114 65.963 16.468 5.786 1.00 0.00 H new ATOM 0 HB3 ASP A 114 65.619 14.800 5.375 1.00 0.00 H new ATOM 289 N LEU A 115 69.305 13.541 5.829 1.00 0.00 N ATOM 290 CA LEU A 115 69.779 12.159 5.903 1.00 0.00 C ATOM 291 C LEU A 115 69.491 11.500 7.259 1.00 0.00 C ATOM 292 O LEU A 115 69.644 10.286 7.390 1.00 0.00 O ATOM 293 CB LEU A 115 71.285 12.104 5.629 1.00 0.00 C ATOM 294 CG LEU A 115 71.574 12.500 4.178 1.00 0.00 C ATOM 295 CD1 LEU A 115 73.084 12.650 3.983 1.00 0.00 C ATOM 296 CD2 LEU A 115 71.054 11.414 3.230 1.00 0.00 C ATOM 0 H LEU A 115 69.949 14.234 6.212 1.00 0.00 H new ATOM 0 HA LEU A 115 69.231 11.602 5.143 1.00 0.00 H new ATOM 0 HB2 LEU A 115 71.810 12.775 6.308 1.00 0.00 H new ATOM 0 HB3 LEU A 115 71.660 11.099 5.821 1.00 0.00 H new ATOM 0 HG LEU A 115 71.075 13.444 3.959 1.00 0.00 H new ATOM 0 HD11 LEU A 115 73.291 12.932 2.951 1.00 0.00 H new ATOM 0 HD12 LEU A 115 73.462 13.422 4.653 1.00 0.00 H new ATOM 0 HD13 LEU A 115 73.576 11.703 4.206 1.00 0.00 H new ATOM 0 HD21 LEU A 115 71.262 11.701 2.199 1.00 0.00 H new ATOM 0 HD22 LEU A 115 71.551 10.469 3.451 1.00 0.00 H new ATOM 0 HD23 LEU A 115 69.979 11.298 3.364 1.00 0.00 H new ATOM 308 N THR A 116 69.091 12.279 8.265 1.00 0.00 N ATOM 309 CA THR A 116 68.832 11.726 9.595 1.00 0.00 C ATOM 310 C THR A 116 67.369 11.303 9.789 1.00 0.00 C ATOM 311 O THR A 116 66.940 11.083 10.922 1.00 0.00 O ATOM 312 CB THR A 116 69.197 12.763 10.658 1.00 0.00 C ATOM 313 OG1 THR A 116 68.398 13.925 10.478 1.00 0.00 O ATOM 314 CG2 THR A 116 70.676 13.132 10.530 1.00 0.00 C ATOM 0 H THR A 116 68.940 13.285 8.186 1.00 0.00 H new ATOM 0 HA THR A 116 69.447 10.832 9.695 1.00 0.00 H new ATOM 0 HB THR A 116 69.015 12.347 11.649 1.00 0.00 H new ATOM 0 HG1 THR A 116 68.629 14.590 11.160 1.00 0.00 H new ATOM 0 HG21 THR A 116 70.934 13.871 11.289 1.00 0.00 H new ATOM 0 HG22 THR A 116 71.287 12.240 10.670 1.00 0.00 H new ATOM 0 HG23 THR A 116 70.863 13.548 9.540 1.00 0.00 H new ATOM 322 N SER A 117 66.601 11.186 8.704 1.00 0.00 N ATOM 323 CA SER A 117 65.209 10.754 8.802 1.00 0.00 C ATOM 324 C SER A 117 65.049 9.344 8.222 1.00 0.00 C ATOM 325 O SER A 117 64.852 9.208 7.015 1.00 0.00 O ATOM 326 CB SER A 117 64.322 11.720 8.016 1.00 0.00 C ATOM 327 OG SER A 117 63.002 11.193 7.951 1.00 0.00 O ATOM 0 H SER A 117 66.918 11.383 7.755 1.00 0.00 H new ATOM 0 HA SER A 117 64.915 10.745 9.852 1.00 0.00 H new ATOM 0 HB2 SER A 117 64.313 12.698 8.497 1.00 0.00 H new ATOM 0 HB3 SER A 117 64.720 11.863 7.011 1.00 0.00 H new ATOM 0 HG SER A 117 62.428 11.809 7.449 1.00 0.00 H new ATOM 333 N PRO A 118 65.098 8.300 9.028 1.00 0.00 N ATOM 334 CA PRO A 118 65.042 6.903 8.496 1.00 0.00 C ATOM 335 C PRO A 118 63.901 6.691 7.506 1.00 0.00 C ATOM 336 O PRO A 118 64.049 5.944 6.541 1.00 0.00 O ATOM 337 CB PRO A 118 64.846 6.032 9.738 1.00 0.00 C ATOM 338 CG PRO A 118 65.429 6.817 10.860 1.00 0.00 C ATOM 339 CD PRO A 118 65.241 8.290 10.500 1.00 0.00 C ATOM 0 HA PRO A 118 65.946 6.660 7.937 1.00 0.00 H new ATOM 0 HB2 PRO A 118 63.790 5.823 9.910 1.00 0.00 H new ATOM 0 HB3 PRO A 118 65.347 5.070 9.628 1.00 0.00 H new ATOM 0 HG2 PRO A 118 64.930 6.580 11.800 1.00 0.00 H new ATOM 0 HG3 PRO A 118 66.485 6.581 10.991 1.00 0.00 H new ATOM 0 HD2 PRO A 118 64.359 8.707 10.987 1.00 0.00 H new ATOM 0 HD3 PRO A 118 66.095 8.888 10.819 1.00 0.00 H new ATOM 347 N ASP A 119 62.774 7.360 7.730 1.00 0.00 N ATOM 348 CA ASP A 119 61.628 7.217 6.836 1.00 0.00 C ATOM 349 C ASP A 119 62.011 7.584 5.405 1.00 0.00 C ATOM 350 O ASP A 119 61.852 6.781 4.482 1.00 0.00 O ATOM 351 CB ASP A 119 60.480 8.111 7.306 1.00 0.00 C ATOM 352 CG ASP A 119 59.208 7.779 6.534 1.00 0.00 C ATOM 353 OD1 ASP A 119 59.008 6.614 6.231 1.00 0.00 O ATOM 354 OD2 ASP A 119 58.450 8.695 6.258 1.00 0.00 O ATOM 0 H ASP A 119 62.629 7.999 8.512 1.00 0.00 H new ATOM 0 HA ASP A 119 61.307 6.176 6.856 1.00 0.00 H new ATOM 0 HB2 ASP A 119 60.314 7.971 8.374 1.00 0.00 H new ATOM 0 HB3 ASP A 119 60.741 9.159 7.159 1.00 0.00 H new ATOM 359 N ALA A 120 62.540 8.789 5.226 1.00 0.00 N ATOM 360 CA ALA A 120 62.923 9.249 3.896 1.00 0.00 C ATOM 361 C ALA A 120 63.936 8.297 3.271 1.00 0.00 C ATOM 362 O ALA A 120 63.837 7.967 2.088 1.00 0.00 O ATOM 363 CB ALA A 120 63.518 10.656 3.967 1.00 0.00 C ATOM 0 H ALA A 120 62.712 9.459 5.976 1.00 0.00 H new ATOM 0 HA ALA A 120 62.027 9.272 3.275 1.00 0.00 H new ATOM 0 HB1 ALA A 120 63.798 10.983 2.966 1.00 0.00 H new ATOM 0 HB2 ALA A 120 62.779 11.343 4.380 1.00 0.00 H new ATOM 0 HB3 ALA A 120 64.401 10.646 4.606 1.00 0.00 H new ATOM 369 N GLN A 121 64.890 7.827 4.073 1.00 0.00 N ATOM 370 CA GLN A 121 65.914 6.921 3.553 1.00 0.00 C ATOM 371 C GLN A 121 65.254 5.665 2.998 1.00 0.00 C ATOM 372 O GLN A 121 65.530 5.259 1.873 1.00 0.00 O ATOM 373 CB GLN A 121 66.943 6.510 4.621 1.00 0.00 C ATOM 374 CG GLN A 121 67.358 7.672 5.540 1.00 0.00 C ATOM 375 CD GLN A 121 67.708 8.939 4.758 1.00 0.00 C ATOM 376 OE1 GLN A 121 68.643 8.943 3.956 1.00 0.00 O ATOM 377 NE2 GLN A 121 66.993 10.015 4.944 1.00 0.00 N ATOM 0 H GLN A 121 64.976 8.052 5.064 1.00 0.00 H new ATOM 0 HA GLN A 121 66.445 7.461 2.769 1.00 0.00 H new ATOM 0 HB2 GLN A 121 66.526 5.706 5.228 1.00 0.00 H new ATOM 0 HB3 GLN A 121 67.829 6.111 4.128 1.00 0.00 H new ATOM 0 HG2 GLN A 121 66.547 7.890 6.234 1.00 0.00 H new ATOM 0 HG3 GLN A 121 68.217 7.369 6.139 1.00 0.00 H new ATOM 0 HE21 GLN A 121 66.220 10.005 5.610 1.00 0.00 H new ATOM 0 HE22 GLN A 121 67.207 10.866 4.424 1.00 0.00 H new ATOM 386 N ALA A 122 64.319 5.098 3.759 1.00 0.00 N ATOM 387 CA ALA A 122 63.675 3.846 3.373 1.00 0.00 C ATOM 388 C ALA A 122 63.073 3.963 1.979 1.00 0.00 C ATOM 389 O ALA A 122 63.296 3.111 1.121 1.00 0.00 O ATOM 390 CB ALA A 122 62.577 3.486 4.375 1.00 0.00 C ATOM 0 H ALA A 122 63.992 5.485 4.644 1.00 0.00 H new ATOM 0 HA ALA A 122 64.430 3.060 3.368 1.00 0.00 H new ATOM 0 HB1 ALA A 122 62.104 2.550 4.076 1.00 0.00 H new ATOM 0 HB2 ALA A 122 63.013 3.371 5.367 1.00 0.00 H new ATOM 0 HB3 ALA A 122 61.830 4.279 4.397 1.00 0.00 H new ATOM 396 N ALA A 123 62.360 5.059 1.747 1.00 0.00 N ATOM 397 CA ALA A 123 61.733 5.275 0.448 1.00 0.00 C ATOM 398 C ALA A 123 62.790 5.291 -0.653 1.00 0.00 C ATOM 399 O ALA A 123 62.626 4.660 -1.697 1.00 0.00 O ATOM 400 CB ALA A 123 60.965 6.598 0.445 1.00 0.00 C ATOM 0 H ALA A 123 62.203 5.801 2.429 1.00 0.00 H new ATOM 0 HA ALA A 123 61.036 4.458 0.260 1.00 0.00 H new ATOM 0 HB1 ALA A 123 60.502 6.748 -0.530 1.00 0.00 H new ATOM 0 HB2 ALA A 123 60.193 6.572 1.214 1.00 0.00 H new ATOM 0 HB3 ALA A 123 61.653 7.418 0.649 1.00 0.00 H new ATOM 406 N PHE A 124 63.890 5.993 -0.403 1.00 0.00 N ATOM 407 CA PHE A 124 64.961 6.092 -1.389 1.00 0.00 C ATOM 408 C PHE A 124 65.506 4.710 -1.738 1.00 0.00 C ATOM 409 O PHE A 124 65.698 4.382 -2.908 1.00 0.00 O ATOM 410 CB PHE A 124 66.093 6.966 -0.845 1.00 0.00 C ATOM 411 CG PHE A 124 67.168 7.259 -1.864 1.00 0.00 C ATOM 412 CD1 PHE A 124 66.814 7.648 -3.162 1.00 0.00 C ATOM 413 CD2 PHE A 124 68.518 7.140 -1.513 1.00 0.00 C ATOM 414 CE1 PHE A 124 67.810 7.919 -4.108 1.00 0.00 C ATOM 415 CE2 PHE A 124 69.514 7.411 -2.458 1.00 0.00 C ATOM 416 CZ PHE A 124 69.160 7.800 -3.756 1.00 0.00 C ATOM 0 H PHE A 124 64.063 6.498 0.466 1.00 0.00 H new ATOM 0 HA PHE A 124 64.552 6.545 -2.292 1.00 0.00 H new ATOM 0 HB2 PHE A 124 65.675 7.907 -0.488 1.00 0.00 H new ATOM 0 HB3 PHE A 124 66.543 6.470 0.015 1.00 0.00 H new ATOM 0 HD1 PHE A 124 65.773 7.739 -3.433 1.00 0.00 H new ATOM 0 HD2 PHE A 124 68.791 6.839 -0.512 1.00 0.00 H new ATOM 0 HE1 PHE A 124 67.537 8.220 -5.109 1.00 0.00 H new ATOM 0 HE2 PHE A 124 70.555 7.320 -2.186 1.00 0.00 H new ATOM 0 HZ PHE A 124 69.929 8.008 -4.486 1.00 0.00 H new ATOM 426 N TYR A 125 65.729 3.890 -0.717 1.00 0.00 N ATOM 427 CA TYR A 125 66.279 2.554 -0.924 1.00 0.00 C ATOM 428 C TYR A 125 65.381 1.756 -1.866 1.00 0.00 C ATOM 429 O TYR A 125 65.848 1.136 -2.823 1.00 0.00 O ATOM 430 CB TYR A 125 66.387 1.811 0.413 1.00 0.00 C ATOM 431 CG TYR A 125 67.500 2.285 1.325 1.00 0.00 C ATOM 432 CD1 TYR A 125 68.829 1.938 1.063 1.00 0.00 C ATOM 433 CD2 TYR A 125 67.195 3.061 2.448 1.00 0.00 C ATOM 434 CE1 TYR A 125 69.850 2.370 1.925 1.00 0.00 C ATOM 435 CE2 TYR A 125 68.210 3.496 3.307 1.00 0.00 C ATOM 436 CZ TYR A 125 69.539 3.152 3.049 1.00 0.00 C ATOM 437 OH TYR A 125 70.539 3.581 3.903 1.00 0.00 O ATOM 0 H TYR A 125 65.539 4.124 0.257 1.00 0.00 H new ATOM 0 HA TYR A 125 67.271 2.656 -1.364 1.00 0.00 H new ATOM 0 HB2 TYR A 125 65.439 1.908 0.942 1.00 0.00 H new ATOM 0 HB3 TYR A 125 66.532 0.750 0.210 1.00 0.00 H new ATOM 0 HD1 TYR A 125 69.070 1.338 0.198 1.00 0.00 H new ATOM 0 HD2 TYR A 125 66.168 3.326 2.654 1.00 0.00 H new ATOM 0 HE1 TYR A 125 70.876 2.100 1.723 1.00 0.00 H new ATOM 0 HE2 TYR A 125 67.966 4.098 4.170 1.00 0.00 H new ATOM 0 HH TYR A 125 70.146 4.112 4.627 1.00 0.00 H new ATOM 447 N LYS A 126 64.080 1.803 -1.604 1.00 0.00 N ATOM 448 CA LYS A 126 63.120 1.056 -2.407 1.00 0.00 C ATOM 449 C LYS A 126 63.209 1.471 -3.869 1.00 0.00 C ATOM 450 O LYS A 126 63.265 0.630 -4.765 1.00 0.00 O ATOM 451 CB LYS A 126 61.702 1.317 -1.890 1.00 0.00 C ATOM 452 CG LYS A 126 61.561 0.797 -0.452 1.00 0.00 C ATOM 453 CD LYS A 126 60.119 0.364 -0.187 1.00 0.00 C ATOM 454 CE LYS A 126 59.990 -0.140 1.251 1.00 0.00 C ATOM 455 NZ LYS A 126 59.973 1.021 2.185 1.00 0.00 N ATOM 0 H LYS A 126 63.668 2.347 -0.846 1.00 0.00 H new ATOM 0 HA LYS A 126 63.352 -0.006 -2.327 1.00 0.00 H new ATOM 0 HB2 LYS A 126 61.486 2.385 -1.922 1.00 0.00 H new ATOM 0 HB3 LYS A 126 60.975 0.825 -2.536 1.00 0.00 H new ATOM 0 HG2 LYS A 126 62.236 -0.044 -0.294 1.00 0.00 H new ATOM 0 HG3 LYS A 126 61.850 1.575 0.254 1.00 0.00 H new ATOM 0 HD2 LYS A 126 59.441 1.202 -0.351 1.00 0.00 H new ATOM 0 HD3 LYS A 126 59.830 -0.421 -0.885 1.00 0.00 H new ATOM 0 HE2 LYS A 126 59.076 -0.723 1.363 1.00 0.00 H new ATOM 0 HE3 LYS A 126 60.822 -0.802 1.492 1.00 0.00 H new ATOM 0 HZ1 LYS A 126 59.717 0.695 3.139 1.00 0.00 H new ATOM 0 HZ2 LYS A 126 60.915 1.460 2.210 1.00 0.00 H new ATOM 0 HZ3 LYS A 126 59.275 1.719 1.858 1.00 0.00 H new ATOM 469 N LEU A 127 63.240 2.775 -4.101 1.00 0.00 N ATOM 470 CA LEU A 127 63.276 3.296 -5.461 1.00 0.00 C ATOM 471 C LEU A 127 64.491 2.761 -6.208 1.00 0.00 C ATOM 472 O LEU A 127 64.386 2.332 -7.356 1.00 0.00 O ATOM 473 CB LEU A 127 63.321 4.823 -5.435 1.00 0.00 C ATOM 474 CG LEU A 127 62.064 5.359 -4.750 1.00 0.00 C ATOM 475 CD1 LEU A 127 62.287 6.816 -4.348 1.00 0.00 C ATOM 476 CD2 LEU A 127 60.882 5.273 -5.718 1.00 0.00 C ATOM 0 H LEU A 127 63.241 3.488 -3.372 1.00 0.00 H new ATOM 0 HA LEU A 127 62.374 2.969 -5.978 1.00 0.00 H new ATOM 0 HB2 LEU A 127 64.210 5.162 -4.904 1.00 0.00 H new ATOM 0 HB3 LEU A 127 63.389 5.213 -6.451 1.00 0.00 H new ATOM 0 HG LEU A 127 61.851 4.765 -3.861 1.00 0.00 H new ATOM 0 HD11 LEU A 127 61.391 7.200 -3.859 1.00 0.00 H new ATOM 0 HD12 LEU A 127 63.131 6.879 -3.661 1.00 0.00 H new ATOM 0 HD13 LEU A 127 62.498 7.410 -5.237 1.00 0.00 H new ATOM 0 HD21 LEU A 127 59.985 5.655 -5.231 1.00 0.00 H new ATOM 0 HD22 LEU A 127 61.095 5.869 -6.606 1.00 0.00 H new ATOM 0 HD23 LEU A 127 60.724 4.234 -6.008 1.00 0.00 H new ATOM 488 N LEU A 128 65.639 2.762 -5.539 1.00 0.00 N ATOM 489 CA LEU A 128 66.875 2.332 -6.182 1.00 0.00 C ATOM 490 C LEU A 128 66.779 0.879 -6.633 1.00 0.00 C ATOM 491 O LEU A 128 67.243 0.536 -7.720 1.00 0.00 O ATOM 492 CB LEU A 128 68.059 2.498 -5.226 1.00 0.00 C ATOM 493 CG LEU A 128 68.560 3.944 -5.270 1.00 0.00 C ATOM 494 CD1 LEU A 128 69.496 4.197 -4.087 1.00 0.00 C ATOM 495 CD2 LEU A 128 69.318 4.180 -6.579 1.00 0.00 C ATOM 0 H LEU A 128 65.740 3.051 -4.566 1.00 0.00 H new ATOM 0 HA LEU A 128 67.031 2.959 -7.060 1.00 0.00 H new ATOM 0 HB2 LEU A 128 67.758 2.238 -4.211 1.00 0.00 H new ATOM 0 HB3 LEU A 128 68.862 1.816 -5.505 1.00 0.00 H new ATOM 0 HG LEU A 128 67.711 4.625 -5.212 1.00 0.00 H new ATOM 0 HD11 LEU A 128 69.852 5.227 -4.119 1.00 0.00 H new ATOM 0 HD12 LEU A 128 68.958 4.028 -3.154 1.00 0.00 H new ATOM 0 HD13 LEU A 128 70.346 3.517 -4.144 1.00 0.00 H new ATOM 0 HD21 LEU A 128 69.675 5.209 -6.612 1.00 0.00 H new ATOM 0 HD22 LEU A 128 70.167 3.499 -6.636 1.00 0.00 H new ATOM 0 HD23 LEU A 128 68.652 4.000 -7.423 1.00 0.00 H new ATOM 507 N LEU A 129 66.190 0.027 -5.799 1.00 0.00 N ATOM 508 CA LEU A 129 66.057 -1.384 -6.154 1.00 0.00 C ATOM 509 C LEU A 129 65.157 -1.549 -7.375 1.00 0.00 C ATOM 510 O LEU A 129 65.512 -2.240 -8.329 1.00 0.00 O ATOM 511 CB LEU A 129 65.481 -2.176 -4.980 1.00 0.00 C ATOM 512 CG LEU A 129 66.600 -2.511 -3.991 1.00 0.00 C ATOM 513 CD1 LEU A 129 65.993 -2.992 -2.672 1.00 0.00 C ATOM 514 CD2 LEU A 129 67.486 -3.613 -4.579 1.00 0.00 C ATOM 0 H LEU A 129 65.804 0.281 -4.890 1.00 0.00 H new ATOM 0 HA LEU A 129 67.049 -1.769 -6.393 1.00 0.00 H new ATOM 0 HB2 LEU A 129 64.704 -1.596 -4.483 1.00 0.00 H new ATOM 0 HB3 LEU A 129 65.014 -3.092 -5.340 1.00 0.00 H new ATOM 0 HG LEU A 129 67.200 -1.620 -3.808 1.00 0.00 H new ATOM 0 HD11 LEU A 129 66.792 -3.230 -1.969 1.00 0.00 H new ATOM 0 HD12 LEU A 129 65.363 -2.207 -2.253 1.00 0.00 H new ATOM 0 HD13 LEU A 129 65.391 -3.883 -2.852 1.00 0.00 H new ATOM 0 HD21 LEU A 129 68.284 -3.853 -3.876 1.00 0.00 H new ATOM 0 HD22 LEU A 129 66.885 -4.503 -4.763 1.00 0.00 H new ATOM 0 HD23 LEU A 129 67.921 -3.268 -5.517 1.00 0.00 H new ATOM 526 N GLN A 130 64.021 -0.861 -7.372 1.00 0.00 N ATOM 527 CA GLN A 130 63.064 -0.985 -8.465 1.00 0.00 C ATOM 528 C GLN A 130 63.696 -0.588 -9.796 1.00 0.00 C ATOM 529 O GLN A 130 63.453 -1.226 -10.821 1.00 0.00 O ATOM 530 CB GLN A 130 61.845 -0.101 -8.193 1.00 0.00 C ATOM 531 CG GLN A 130 61.109 -0.612 -6.953 1.00 0.00 C ATOM 532 CD GLN A 130 59.819 0.175 -6.751 1.00 0.00 C ATOM 533 OE1 GLN A 130 58.823 -0.078 -7.430 1.00 0.00 O ATOM 534 NE2 GLN A 130 59.775 1.118 -5.850 1.00 0.00 N ATOM 0 H GLN A 130 63.742 -0.217 -6.632 1.00 0.00 H new ATOM 0 HA GLN A 130 62.754 -2.028 -8.527 1.00 0.00 H new ATOM 0 HB2 GLN A 130 62.158 0.932 -8.043 1.00 0.00 H new ATOM 0 HB3 GLN A 130 61.177 -0.110 -9.054 1.00 0.00 H new ATOM 0 HG2 GLN A 130 60.884 -1.673 -7.065 1.00 0.00 H new ATOM 0 HG3 GLN A 130 61.747 -0.512 -6.075 1.00 0.00 H new ATOM 0 HE21 GLN A 130 60.601 1.326 -5.289 1.00 0.00 H new ATOM 0 HE22 GLN A 130 58.915 1.647 -5.707 1.00 0.00 H new ATOM 543 N SER A 131 64.505 0.466 -9.777 1.00 0.00 N ATOM 544 CA SER A 131 65.112 0.973 -11.007 1.00 0.00 C ATOM 545 C SER A 131 66.397 0.232 -11.397 1.00 0.00 C ATOM 546 O SER A 131 67.151 0.718 -12.240 1.00 0.00 O ATOM 547 CB SER A 131 65.416 2.463 -10.849 1.00 0.00 C ATOM 548 OG SER A 131 64.195 3.178 -10.725 1.00 0.00 O ATOM 0 H SER A 131 64.755 0.983 -8.934 1.00 0.00 H new ATOM 0 HA SER A 131 64.391 0.805 -11.807 1.00 0.00 H new ATOM 0 HB2 SER A 131 66.039 2.628 -9.970 1.00 0.00 H new ATOM 0 HB3 SER A 131 65.978 2.825 -11.710 1.00 0.00 H new ATOM 0 HG SER A 131 64.027 3.376 -9.780 1.00 0.00 H new ATOM 554 N ASN A 132 66.655 -0.935 -10.803 1.00 0.00 N ATOM 555 CA ASN A 132 67.829 -1.725 -11.162 1.00 0.00 C ATOM 556 C ASN A 132 69.115 -0.959 -10.847 1.00 0.00 C ATOM 557 O ASN A 132 70.010 -0.833 -11.684 1.00 0.00 O ATOM 558 CB ASN A 132 67.773 -2.095 -12.648 1.00 0.00 C ATOM 559 CG ASN A 132 68.736 -3.242 -12.940 1.00 0.00 C ATOM 560 OD1 ASN A 132 69.718 -3.429 -12.221 1.00 0.00 O ATOM 561 ND2 ASN A 132 68.510 -4.027 -13.957 1.00 0.00 N ATOM 0 H ASN A 132 66.070 -1.349 -10.077 1.00 0.00 H new ATOM 0 HA ASN A 132 67.829 -2.640 -10.570 1.00 0.00 H new ATOM 0 HB2 ASN A 132 66.758 -2.384 -12.921 1.00 0.00 H new ATOM 0 HB3 ASN A 132 68.032 -1.229 -13.256 1.00 0.00 H new ATOM 0 HD21 ASN A 132 69.147 -4.798 -14.158 1.00 0.00 H new ATOM 0 HD22 ASN A 132 67.696 -3.870 -14.551 1.00 0.00 H new ATOM 568 N TYR A 133 69.205 -0.450 -9.620 1.00 0.00 N ATOM 569 CA TYR A 133 70.403 0.263 -9.177 1.00 0.00 C ATOM 570 C TYR A 133 70.973 -0.355 -7.886 1.00 0.00 C ATOM 571 O TYR A 133 71.334 0.369 -6.951 1.00 0.00 O ATOM 572 CB TYR A 133 70.049 1.735 -8.938 1.00 0.00 C ATOM 573 CG TYR A 133 69.920 2.553 -10.200 1.00 0.00 C ATOM 574 CD1 TYR A 133 68.685 2.645 -10.851 1.00 0.00 C ATOM 575 CD2 TYR A 133 71.034 3.228 -10.712 1.00 0.00 C ATOM 576 CE1 TYR A 133 68.563 3.411 -12.017 1.00 0.00 C ATOM 577 CE2 TYR A 133 70.913 3.993 -11.879 1.00 0.00 C ATOM 578 CZ TYR A 133 69.677 4.085 -12.531 1.00 0.00 C ATOM 579 OH TYR A 133 69.558 4.839 -13.680 1.00 0.00 O ATOM 0 H TYR A 133 68.468 -0.517 -8.918 1.00 0.00 H new ATOM 0 HA TYR A 133 71.165 0.182 -9.952 1.00 0.00 H new ATOM 0 HB2 TYR A 133 69.110 1.786 -8.387 1.00 0.00 H new ATOM 0 HB3 TYR A 133 70.815 2.183 -8.305 1.00 0.00 H new ATOM 0 HD1 TYR A 133 67.826 2.125 -10.454 1.00 0.00 H new ATOM 0 HD2 TYR A 133 71.986 3.159 -10.208 1.00 0.00 H new ATOM 0 HE1 TYR A 133 67.610 3.482 -12.520 1.00 0.00 H new ATOM 0 HE2 TYR A 133 71.773 4.512 -12.276 1.00 0.00 H new ATOM 0 HH TYR A 133 70.425 5.241 -13.899 1.00 0.00 H new ATOM 589 N PRO A 134 71.159 -1.660 -7.831 1.00 0.00 N ATOM 590 CA PRO A 134 71.611 -2.325 -6.570 1.00 0.00 C ATOM 591 C PRO A 134 72.923 -1.731 -6.062 1.00 0.00 C ATOM 592 O PRO A 134 73.092 -1.507 -4.864 1.00 0.00 O ATOM 593 CB PRO A 134 71.770 -3.804 -6.939 1.00 0.00 C ATOM 594 CG PRO A 134 71.851 -3.841 -8.426 1.00 0.00 C ATOM 595 CD PRO A 134 71.049 -2.642 -8.928 1.00 0.00 C ATOM 0 HA PRO A 134 70.897 -2.183 -5.758 1.00 0.00 H new ATOM 0 HB2 PRO A 134 72.668 -4.226 -6.487 1.00 0.00 H new ATOM 0 HB3 PRO A 134 70.925 -4.391 -6.578 1.00 0.00 H new ATOM 0 HG2 PRO A 134 72.887 -3.784 -8.761 1.00 0.00 H new ATOM 0 HG3 PRO A 134 71.441 -4.773 -8.815 1.00 0.00 H new ATOM 0 HD2 PRO A 134 71.458 -2.249 -9.859 1.00 0.00 H new ATOM 0 HD3 PRO A 134 70.010 -2.909 -9.123 1.00 0.00 H new ATOM 603 N GLN A 135 73.840 -1.448 -6.981 1.00 0.00 N ATOM 604 CA GLN A 135 75.138 -0.893 -6.607 1.00 0.00 C ATOM 605 C GLN A 135 74.974 0.382 -5.781 1.00 0.00 C ATOM 606 O GLN A 135 75.705 0.606 -4.817 1.00 0.00 O ATOM 607 CB GLN A 135 75.956 -0.586 -7.863 1.00 0.00 C ATOM 608 CG GLN A 135 77.376 -0.176 -7.462 1.00 0.00 C ATOM 609 CD GLN A 135 78.239 0.080 -8.698 1.00 0.00 C ATOM 610 OE1 GLN A 135 77.846 -0.234 -9.823 1.00 0.00 O ATOM 611 NE2 GLN A 135 79.410 0.640 -8.552 1.00 0.00 N ATOM 0 H GLN A 135 73.712 -1.592 -7.983 1.00 0.00 H new ATOM 0 HA GLN A 135 75.660 -1.633 -6.001 1.00 0.00 H new ATOM 0 HB2 GLN A 135 75.989 -1.462 -8.511 1.00 0.00 H new ATOM 0 HB3 GLN A 135 75.482 0.214 -8.432 1.00 0.00 H new ATOM 0 HG2 GLN A 135 77.339 0.723 -6.847 1.00 0.00 H new ATOM 0 HG3 GLN A 135 77.827 -0.960 -6.854 1.00 0.00 H new ATOM 0 HE21 GLN A 135 79.738 0.901 -7.622 1.00 0.00 H new ATOM 0 HE22 GLN A 135 79.996 0.816 -9.368 1.00 0.00 H new ATOM 620 N TYR A 136 73.986 1.199 -6.136 1.00 0.00 N ATOM 621 CA TYR A 136 73.755 2.454 -5.428 1.00 0.00 C ATOM 622 C TYR A 136 73.262 2.172 -4.013 1.00 0.00 C ATOM 623 O TYR A 136 73.712 2.792 -3.049 1.00 0.00 O ATOM 624 CB TYR A 136 72.716 3.293 -6.173 1.00 0.00 C ATOM 625 CG TYR A 136 73.275 4.016 -7.376 1.00 0.00 C ATOM 626 CD1 TYR A 136 74.107 3.340 -8.276 1.00 0.00 C ATOM 627 CD2 TYR A 136 72.957 5.363 -7.591 1.00 0.00 C ATOM 628 CE1 TYR A 136 74.624 4.011 -9.390 1.00 0.00 C ATOM 629 CE2 TYR A 136 73.474 6.033 -8.706 1.00 0.00 C ATOM 630 CZ TYR A 136 74.308 5.358 -9.606 1.00 0.00 C ATOM 631 OH TYR A 136 74.816 6.019 -10.705 1.00 0.00 O ATOM 0 H TYR A 136 73.338 1.017 -6.902 1.00 0.00 H new ATOM 0 HA TYR A 136 74.694 3.006 -5.379 1.00 0.00 H new ATOM 0 HB2 TYR A 136 71.901 2.645 -6.495 1.00 0.00 H new ATOM 0 HB3 TYR A 136 72.290 4.024 -5.485 1.00 0.00 H new ATOM 0 HD1 TYR A 136 74.350 2.301 -8.111 1.00 0.00 H new ATOM 0 HD2 TYR A 136 72.314 5.884 -6.897 1.00 0.00 H new ATOM 0 HE1 TYR A 136 75.267 3.490 -10.084 1.00 0.00 H new ATOM 0 HE2 TYR A 136 73.229 7.072 -8.872 1.00 0.00 H new ATOM 0 HH TYR A 136 74.498 6.946 -10.705 1.00 0.00 H new ATOM 641 N VAL A 137 72.358 1.204 -3.890 1.00 0.00 N ATOM 642 CA VAL A 137 71.809 0.830 -2.589 1.00 0.00 C ATOM 643 C VAL A 137 72.937 0.467 -1.626 1.00 0.00 C ATOM 644 O VAL A 137 72.932 0.876 -0.468 1.00 0.00 O ATOM 645 CB VAL A 137 70.854 -0.361 -2.757 1.00 0.00 C ATOM 646 CG1 VAL A 137 70.242 -0.769 -1.413 1.00 0.00 C ATOM 647 CG2 VAL A 137 69.723 0.027 -3.712 1.00 0.00 C ATOM 0 H VAL A 137 71.990 0.665 -4.674 1.00 0.00 H new ATOM 0 HA VAL A 137 71.259 1.676 -2.177 1.00 0.00 H new ATOM 0 HB VAL A 137 71.423 -1.201 -3.156 1.00 0.00 H new ATOM 0 HG11 VAL A 137 69.570 -1.614 -1.561 1.00 0.00 H new ATOM 0 HG12 VAL A 137 71.036 -1.053 -0.723 1.00 0.00 H new ATOM 0 HG13 VAL A 137 69.684 0.070 -0.998 1.00 0.00 H new ATOM 0 HG21 VAL A 137 69.044 -0.817 -3.833 1.00 0.00 H new ATOM 0 HG22 VAL A 137 69.177 0.877 -3.303 1.00 0.00 H new ATOM 0 HG23 VAL A 137 70.142 0.297 -4.681 1.00 0.00 H new ATOM 657 N VAL A 138 73.911 -0.285 -2.124 1.00 0.00 N ATOM 658 CA VAL A 138 75.015 -0.733 -1.282 1.00 0.00 C ATOM 659 C VAL A 138 75.851 0.457 -0.815 1.00 0.00 C ATOM 660 O VAL A 138 76.078 0.634 0.381 1.00 0.00 O ATOM 661 CB VAL A 138 75.892 -1.733 -2.050 1.00 0.00 C ATOM 662 CG1 VAL A 138 77.019 -2.255 -1.154 1.00 0.00 C ATOM 663 CG2 VAL A 138 75.036 -2.917 -2.506 1.00 0.00 C ATOM 0 H VAL A 138 73.960 -0.595 -3.095 1.00 0.00 H new ATOM 0 HA VAL A 138 74.603 -1.229 -0.403 1.00 0.00 H new ATOM 0 HB VAL A 138 76.324 -1.225 -2.912 1.00 0.00 H new ATOM 0 HG11 VAL A 138 77.631 -2.962 -1.714 1.00 0.00 H new ATOM 0 HG12 VAL A 138 77.638 -1.421 -0.825 1.00 0.00 H new ATOM 0 HG13 VAL A 138 76.591 -2.754 -0.285 1.00 0.00 H new ATOM 0 HG21 VAL A 138 75.658 -3.627 -3.051 1.00 0.00 H new ATOM 0 HG22 VAL A 138 74.602 -3.409 -1.635 1.00 0.00 H new ATOM 0 HG23 VAL A 138 74.238 -2.560 -3.157 1.00 0.00 H new ATOM 673 N SER A 139 76.278 1.291 -1.757 1.00 0.00 N ATOM 674 CA SER A 139 77.147 2.418 -1.427 1.00 0.00 C ATOM 675 C SER A 139 76.528 3.295 -0.340 1.00 0.00 C ATOM 676 O SER A 139 77.224 3.787 0.547 1.00 0.00 O ATOM 677 CB SER A 139 77.402 3.261 -2.677 1.00 0.00 C ATOM 678 OG SER A 139 78.387 4.243 -2.386 1.00 0.00 O ATOM 0 H SER A 139 76.040 1.211 -2.746 1.00 0.00 H new ATOM 0 HA SER A 139 78.089 2.018 -1.052 1.00 0.00 H new ATOM 0 HB2 SER A 139 77.736 2.625 -3.497 1.00 0.00 H new ATOM 0 HB3 SER A 139 76.478 3.740 -3.002 1.00 0.00 H new ATOM 0 HG SER A 139 78.555 4.785 -3.185 1.00 0.00 H new ATOM 684 N ARG A 140 75.216 3.481 -0.421 1.00 0.00 N ATOM 685 CA ARG A 140 74.505 4.315 0.542 1.00 0.00 C ATOM 686 C ARG A 140 74.405 3.636 1.905 1.00 0.00 C ATOM 687 O ARG A 140 74.815 4.206 2.913 1.00 0.00 O ATOM 688 CB ARG A 140 73.102 4.622 0.017 1.00 0.00 C ATOM 689 CG ARG A 140 72.443 5.687 0.893 1.00 0.00 C ATOM 690 CD ARG A 140 71.026 5.959 0.384 1.00 0.00 C ATOM 691 NE ARG A 140 70.416 7.060 1.135 1.00 0.00 N ATOM 692 CZ ARG A 140 70.546 8.351 0.793 1.00 0.00 C ATOM 693 NH1 ARG A 140 71.250 8.733 -0.246 1.00 0.00 N ATOM 694 NH2 ARG A 140 69.955 9.258 1.522 1.00 0.00 N ATOM 0 H ARG A 140 74.624 3.067 -1.141 1.00 0.00 H new ATOM 0 HA ARG A 140 75.067 5.240 0.667 1.00 0.00 H new ATOM 0 HB2 ARG A 140 73.158 4.970 -1.014 1.00 0.00 H new ATOM 0 HB3 ARG A 140 72.498 3.715 0.015 1.00 0.00 H new ATOM 0 HG2 ARG A 140 72.411 5.352 1.930 1.00 0.00 H new ATOM 0 HG3 ARG A 140 73.031 6.605 0.873 1.00 0.00 H new ATOM 0 HD2 ARG A 140 71.055 6.206 -0.677 1.00 0.00 H new ATOM 0 HD3 ARG A 140 70.418 5.060 0.485 1.00 0.00 H new ATOM 0 HE ARG A 140 69.863 6.833 1.962 1.00 0.00 H new ATOM 0 HH11 ARG A 140 71.722 8.039 -0.825 1.00 0.00 H new ATOM 0 HH12 ARG A 140 71.325 9.724 -0.474 1.00 0.00 H new ATOM 0 HH21 ARG A 140 69.406 8.980 2.336 1.00 0.00 H new ATOM 0 HH22 ARG A 140 70.042 10.245 1.278 1.00 0.00 H new ATOM 708 N PHE A 141 73.902 2.408 1.930 1.00 0.00 N ATOM 709 CA PHE A 141 73.683 1.710 3.194 1.00 0.00 C ATOM 710 C PHE A 141 74.969 1.606 4.016 1.00 0.00 C ATOM 711 O PHE A 141 74.924 1.607 5.246 1.00 0.00 O ATOM 712 CB PHE A 141 73.129 0.309 2.923 1.00 0.00 C ATOM 713 CG PHE A 141 72.773 -0.447 4.180 1.00 0.00 C ATOM 714 CD1 PHE A 141 71.539 -0.225 4.802 1.00 0.00 C ATOM 715 CD2 PHE A 141 73.676 -1.369 4.724 1.00 0.00 C ATOM 716 CE1 PHE A 141 71.207 -0.925 5.968 1.00 0.00 C ATOM 717 CE2 PHE A 141 73.344 -2.068 5.890 1.00 0.00 C ATOM 718 CZ PHE A 141 72.109 -1.846 6.513 1.00 0.00 C ATOM 0 H PHE A 141 73.640 1.878 1.099 1.00 0.00 H new ATOM 0 HA PHE A 141 72.963 2.289 3.773 1.00 0.00 H new ATOM 0 HB2 PHE A 141 72.243 0.392 2.294 1.00 0.00 H new ATOM 0 HB3 PHE A 141 73.867 -0.263 2.360 1.00 0.00 H new ATOM 0 HD1 PHE A 141 70.843 0.486 4.382 1.00 0.00 H new ATOM 0 HD2 PHE A 141 74.628 -1.540 4.244 1.00 0.00 H new ATOM 0 HE1 PHE A 141 70.254 -0.754 6.447 1.00 0.00 H new ATOM 0 HE2 PHE A 141 74.040 -2.779 6.310 1.00 0.00 H new ATOM 0 HZ PHE A 141 71.853 -2.385 7.413 1.00 0.00 H new ATOM 728 N GLU A 142 76.110 1.517 3.339 1.00 0.00 N ATOM 729 CA GLU A 142 77.389 1.353 4.027 1.00 0.00 C ATOM 730 C GLU A 142 77.911 2.650 4.656 1.00 0.00 C ATOM 731 O GLU A 142 78.825 2.598 5.478 1.00 0.00 O ATOM 732 CB GLU A 142 78.435 0.818 3.047 1.00 0.00 C ATOM 733 CG GLU A 142 78.054 -0.600 2.614 1.00 0.00 C ATOM 734 CD GLU A 142 79.167 -1.201 1.763 1.00 0.00 C ATOM 735 OE1 GLU A 142 79.310 -0.779 0.628 1.00 0.00 O ATOM 736 OE2 GLU A 142 79.861 -2.072 2.260 1.00 0.00 O ATOM 0 H GLU A 142 76.177 1.555 2.322 1.00 0.00 H new ATOM 0 HA GLU A 142 77.216 0.647 4.840 1.00 0.00 H new ATOM 0 HB2 GLU A 142 78.499 1.470 2.176 1.00 0.00 H new ATOM 0 HB3 GLU A 142 79.419 0.814 3.516 1.00 0.00 H new ATOM 0 HG2 GLU A 142 77.879 -1.223 3.491 1.00 0.00 H new ATOM 0 HG3 GLU A 142 77.123 -0.579 2.048 1.00 0.00 H new ATOM 743 N THR A 143 77.352 3.803 4.284 1.00 0.00 N ATOM 744 CA THR A 143 77.808 5.075 4.839 1.00 0.00 C ATOM 745 C THR A 143 77.162 5.318 6.210 1.00 0.00 C ATOM 746 O THR A 143 75.976 5.645 6.257 1.00 0.00 O ATOM 747 CB THR A 143 77.405 6.212 3.896 1.00 0.00 C ATOM 748 OG1 THR A 143 77.692 5.836 2.556 1.00 0.00 O ATOM 749 CG2 THR A 143 78.190 7.476 4.253 1.00 0.00 C ATOM 0 H THR A 143 76.592 3.881 3.609 1.00 0.00 H new ATOM 0 HA THR A 143 78.892 5.042 4.951 1.00 0.00 H new ATOM 0 HB THR A 143 76.338 6.410 3.998 1.00 0.00 H new ATOM 0 HG1 THR A 143 76.987 5.241 2.225 1.00 0.00 H new ATOM 0 HG21 THR A 143 77.902 8.285 3.581 1.00 0.00 H new ATOM 0 HG22 THR A 143 77.970 7.763 5.281 1.00 0.00 H new ATOM 0 HG23 THR A 143 79.258 7.282 4.151 1.00 0.00 H new ATOM 757 N PRO A 144 77.879 5.220 7.315 1.00 0.00 N ATOM 758 CA PRO A 144 77.241 5.333 8.670 1.00 0.00 C ATOM 759 C PRO A 144 76.498 6.654 8.887 1.00 0.00 C ATOM 760 O PRO A 144 75.679 6.765 9.799 1.00 0.00 O ATOM 761 CB PRO A 144 78.403 5.197 9.662 1.00 0.00 C ATOM 762 CG PRO A 144 79.519 4.584 8.891 1.00 0.00 C ATOM 763 CD PRO A 144 79.339 5.049 7.450 1.00 0.00 C ATOM 0 HA PRO A 144 76.476 4.566 8.795 1.00 0.00 H new ATOM 0 HB2 PRO A 144 78.691 6.169 10.063 1.00 0.00 H new ATOM 0 HB3 PRO A 144 78.123 4.572 10.510 1.00 0.00 H new ATOM 0 HG2 PRO A 144 80.485 4.900 9.285 1.00 0.00 H new ATOM 0 HG3 PRO A 144 79.488 3.496 8.957 1.00 0.00 H new ATOM 0 HD2 PRO A 144 79.870 5.982 7.261 1.00 0.00 H new ATOM 0 HD3 PRO A 144 79.723 4.315 6.742 1.00 0.00 H new ATOM 771 N GLY A 145 76.781 7.653 8.055 1.00 0.00 N ATOM 772 CA GLY A 145 76.173 8.972 8.217 1.00 0.00 C ATOM 773 C GLY A 145 74.678 8.986 7.888 1.00 0.00 C ATOM 774 O GLY A 145 73.952 9.865 8.351 1.00 0.00 O ATOM 0 H GLY A 145 77.423 7.576 7.266 1.00 0.00 H new ATOM 0 HA2 GLY A 145 76.317 9.309 9.244 1.00 0.00 H new ATOM 0 HA3 GLY A 145 76.688 9.685 7.573 1.00 0.00 H new ATOM 778 N ILE A 146 74.212 8.021 7.096 1.00 0.00 N ATOM 779 CA ILE A 146 72.817 8.004 6.665 1.00 0.00 C ATOM 780 C ILE A 146 72.007 7.033 7.522 1.00 0.00 C ATOM 781 O ILE A 146 72.475 5.947 7.864 1.00 0.00 O ATOM 782 CB ILE A 146 72.729 7.613 5.183 1.00 0.00 C ATOM 783 CG1 ILE A 146 73.562 8.591 4.346 1.00 0.00 C ATOM 784 CG2 ILE A 146 71.272 7.671 4.714 1.00 0.00 C ATOM 785 CD1 ILE A 146 73.674 8.083 2.908 1.00 0.00 C ATOM 0 H ILE A 146 74.775 7.247 6.743 1.00 0.00 H new ATOM 0 HA ILE A 146 72.399 9.003 6.789 1.00 0.00 H new ATOM 0 HB ILE A 146 73.111 6.600 5.060 1.00 0.00 H new ATOM 0 HG12 ILE A 146 73.099 9.578 4.357 1.00 0.00 H new ATOM 0 HG13 ILE A 146 74.556 8.700 4.781 1.00 0.00 H new ATOM 0 HG21 ILE A 146 71.217 7.392 3.662 1.00 0.00 H new ATOM 0 HG22 ILE A 146 70.672 6.979 5.304 1.00 0.00 H new ATOM 0 HG23 ILE A 146 70.889 8.683 4.842 1.00 0.00 H new ATOM 0 HD11 ILE A 146 74.267 8.783 2.320 1.00 0.00 H new ATOM 0 HD12 ILE A 146 74.157 7.106 2.904 1.00 0.00 H new ATOM 0 HD13 ILE A 146 72.678 7.997 2.474 1.00 0.00 H new ATOM 797 N ALA A 147 70.790 7.441 7.862 1.00 0.00 N ATOM 798 CA ALA A 147 69.929 6.649 8.732 1.00 0.00 C ATOM 799 C ALA A 147 69.628 5.277 8.132 1.00 0.00 C ATOM 800 O ALA A 147 69.717 5.067 6.917 1.00 0.00 O ATOM 801 CB ALA A 147 68.619 7.401 8.989 1.00 0.00 C ATOM 0 H ALA A 147 70.376 8.319 7.547 1.00 0.00 H new ATOM 0 HA ALA A 147 70.457 6.494 9.673 1.00 0.00 H new ATOM 0 HB1 ALA A 147 67.979 6.805 9.640 1.00 0.00 H new ATOM 0 HB2 ALA A 147 68.836 8.356 9.468 1.00 0.00 H new ATOM 0 HB3 ALA A 147 68.109 7.578 8.042 1.00 0.00 H new ATOM 807 N SER A 148 69.298 4.337 9.012 1.00 0.00 N ATOM 808 CA SER A 148 68.907 3.002 8.583 1.00 0.00 C ATOM 809 C SER A 148 67.818 2.446 9.496 1.00 0.00 C ATOM 810 O SER A 148 67.876 2.593 10.717 1.00 0.00 O ATOM 811 CB SER A 148 70.119 2.070 8.604 1.00 0.00 C ATOM 812 OG SER A 148 70.457 1.774 9.952 1.00 0.00 O ATOM 0 H SER A 148 69.294 4.476 10.023 1.00 0.00 H new ATOM 0 HA SER A 148 68.517 3.066 7.567 1.00 0.00 H new ATOM 0 HB2 SER A 148 69.896 1.151 8.062 1.00 0.00 H new ATOM 0 HB3 SER A 148 70.963 2.540 8.100 1.00 0.00 H new ATOM 0 HG SER A 148 71.233 1.175 9.971 1.00 0.00 H new ATOM 818 N SER A 149 66.829 1.808 8.884 1.00 0.00 N ATOM 819 CA SER A 149 65.737 1.179 9.617 1.00 0.00 C ATOM 820 C SER A 149 65.618 -0.286 9.194 1.00 0.00 C ATOM 821 O SER A 149 66.173 -0.662 8.162 1.00 0.00 O ATOM 822 CB SER A 149 64.433 1.918 9.309 1.00 0.00 C ATOM 823 OG SER A 149 64.100 1.723 7.942 1.00 0.00 O ATOM 0 H SER A 149 66.761 1.712 7.871 1.00 0.00 H new ATOM 0 HA SER A 149 65.935 1.226 10.688 1.00 0.00 H new ATOM 0 HB2 SER A 149 63.631 1.548 9.948 1.00 0.00 H new ATOM 0 HB3 SER A 149 64.544 2.981 9.521 1.00 0.00 H new ATOM 0 HG SER A 149 64.728 2.221 7.378 1.00 0.00 H new ATOM 829 N PRO A 150 64.932 -1.125 9.944 1.00 0.00 N ATOM 830 CA PRO A 150 64.763 -2.561 9.555 1.00 0.00 C ATOM 831 C PRO A 150 64.380 -2.727 8.084 1.00 0.00 C ATOM 832 O PRO A 150 64.956 -3.548 7.368 1.00 0.00 O ATOM 833 CB PRO A 150 63.647 -3.059 10.473 1.00 0.00 C ATOM 834 CG PRO A 150 63.760 -2.218 11.699 1.00 0.00 C ATOM 835 CD PRO A 150 64.271 -0.852 11.238 1.00 0.00 C ATOM 0 HA PRO A 150 65.691 -3.122 9.664 1.00 0.00 H new ATOM 0 HB2 PRO A 150 62.669 -2.946 10.004 1.00 0.00 H new ATOM 0 HB3 PRO A 150 63.769 -4.117 10.706 1.00 0.00 H new ATOM 0 HG2 PRO A 150 62.795 -2.124 12.196 1.00 0.00 H new ATOM 0 HG3 PRO A 150 64.446 -2.668 12.417 1.00 0.00 H new ATOM 0 HD2 PRO A 150 63.454 -0.140 11.124 1.00 0.00 H new ATOM 0 HD3 PRO A 150 64.969 -0.425 11.958 1.00 0.00 H new ATOM 843 N GLU A 151 63.428 -1.919 7.628 1.00 0.00 N ATOM 844 CA GLU A 151 63.015 -1.961 6.230 1.00 0.00 C ATOM 845 C GLU A 151 64.207 -1.687 5.316 1.00 0.00 C ATOM 846 O GLU A 151 64.412 -2.379 4.319 1.00 0.00 O ATOM 847 CB GLU A 151 61.922 -0.922 5.976 1.00 0.00 C ATOM 848 CG GLU A 151 60.677 -1.275 6.796 1.00 0.00 C ATOM 849 CD GLU A 151 59.526 -0.311 6.500 1.00 0.00 C ATOM 850 OE1 GLU A 151 59.782 0.788 6.033 1.00 0.00 O ATOM 851 OE2 GLU A 151 58.395 -0.686 6.763 1.00 0.00 O ATOM 0 H GLU A 151 62.933 -1.234 8.199 1.00 0.00 H new ATOM 0 HA GLU A 151 62.624 -2.955 6.013 1.00 0.00 H new ATOM 0 HB2 GLU A 151 62.280 0.071 6.248 1.00 0.00 H new ATOM 0 HB3 GLU A 151 61.674 -0.892 4.915 1.00 0.00 H new ATOM 0 HG2 GLU A 151 60.367 -2.295 6.570 1.00 0.00 H new ATOM 0 HG3 GLU A 151 60.917 -1.243 7.859 1.00 0.00 H new ATOM 858 N CYS A 152 65.008 -0.689 5.678 1.00 0.00 N ATOM 859 CA CYS A 152 66.176 -0.339 4.876 1.00 0.00 C ATOM 860 C CYS A 152 67.122 -1.529 4.763 1.00 0.00 C ATOM 861 O CYS A 152 67.660 -1.807 3.694 1.00 0.00 O ATOM 862 CB CYS A 152 66.917 0.839 5.507 1.00 0.00 C ATOM 863 SG CYS A 152 65.787 2.245 5.669 1.00 0.00 S ATOM 0 H CYS A 152 64.873 -0.115 6.510 1.00 0.00 H new ATOM 0 HA CYS A 152 65.834 -0.059 3.880 1.00 0.00 H new ATOM 0 HB2 CYS A 152 67.306 0.556 6.485 1.00 0.00 H new ATOM 0 HB3 CYS A 152 67.773 1.116 4.892 1.00 0.00 H new ATOM 0 HG CYS A 152 66.068 3.134 4.764 1.00 0.00 H new ATOM 869 N MET A 153 67.311 -2.239 5.869 1.00 0.00 N ATOM 870 CA MET A 153 68.223 -3.376 5.890 1.00 0.00 C ATOM 871 C MET A 153 67.808 -4.410 4.852 1.00 0.00 C ATOM 872 O MET A 153 68.637 -4.922 4.101 1.00 0.00 O ATOM 873 CB MET A 153 68.227 -4.017 7.280 1.00 0.00 C ATOM 874 CG MET A 153 68.766 -3.026 8.317 1.00 0.00 C ATOM 875 SD MET A 153 69.580 -3.937 9.654 1.00 0.00 S ATOM 876 CE MET A 153 71.017 -4.504 8.709 1.00 0.00 C ATOM 0 H MET A 153 66.848 -2.049 6.758 1.00 0.00 H new ATOM 0 HA MET A 153 69.226 -3.020 5.653 1.00 0.00 H new ATOM 0 HB2 MET A 153 67.217 -4.324 7.550 1.00 0.00 H new ATOM 0 HB3 MET A 153 68.842 -4.917 7.272 1.00 0.00 H new ATOM 0 HG2 MET A 153 69.471 -2.340 7.848 1.00 0.00 H new ATOM 0 HG3 MET A 153 67.951 -2.422 8.717 1.00 0.00 H new ATOM 0 HE1 MET A 153 71.093 -5.589 8.778 1.00 0.00 H new ATOM 0 HE2 MET A 153 70.903 -4.214 7.664 1.00 0.00 H new ATOM 0 HE3 MET A 153 71.921 -4.050 9.115 1.00 0.00 H new ATOM 886 N GLU A 154 66.512 -4.698 4.799 1.00 0.00 N ATOM 887 CA GLU A 154 66.001 -5.673 3.841 1.00 0.00 C ATOM 888 C GLU A 154 66.342 -5.245 2.417 1.00 0.00 C ATOM 889 O GLU A 154 66.813 -6.043 1.608 1.00 0.00 O ATOM 890 CB GLU A 154 64.484 -5.808 3.989 1.00 0.00 C ATOM 891 CG GLU A 154 64.156 -6.410 5.361 1.00 0.00 C ATOM 892 CD GLU A 154 62.652 -6.635 5.524 1.00 0.00 C ATOM 893 OE1 GLU A 154 61.879 -6.010 4.812 1.00 0.00 O ATOM 894 OE2 GLU A 154 62.289 -7.427 6.378 1.00 0.00 O ATOM 0 H GLU A 154 65.803 -4.277 5.400 1.00 0.00 H new ATOM 0 HA GLU A 154 66.469 -6.637 4.043 1.00 0.00 H new ATOM 0 HB2 GLU A 154 64.009 -4.832 3.885 1.00 0.00 H new ATOM 0 HB3 GLU A 154 64.086 -6.442 3.197 1.00 0.00 H new ATOM 0 HG2 GLU A 154 64.683 -7.357 5.480 1.00 0.00 H new ATOM 0 HG3 GLU A 154 64.514 -5.745 6.147 1.00 0.00 H new ATOM 901 N LEU A 155 66.122 -3.970 2.125 1.00 0.00 N ATOM 902 CA LEU A 155 66.404 -3.441 0.795 1.00 0.00 C ATOM 903 C LEU A 155 67.879 -3.631 0.446 1.00 0.00 C ATOM 904 O LEU A 155 68.224 -4.033 -0.665 1.00 0.00 O ATOM 905 CB LEU A 155 66.027 -1.957 0.742 1.00 0.00 C ATOM 906 CG LEU A 155 64.528 -1.796 1.026 1.00 0.00 C ATOM 907 CD1 LEU A 155 64.216 -0.336 1.359 1.00 0.00 C ATOM 908 CD2 LEU A 155 63.709 -2.201 -0.202 1.00 0.00 C ATOM 0 H LEU A 155 65.752 -3.286 2.785 1.00 0.00 H new ATOM 0 HA LEU A 155 65.809 -3.986 0.062 1.00 0.00 H new ATOM 0 HB2 LEU A 155 66.608 -1.397 1.475 1.00 0.00 H new ATOM 0 HB3 LEU A 155 66.268 -1.545 -0.238 1.00 0.00 H new ATOM 0 HG LEU A 155 64.267 -2.436 1.869 1.00 0.00 H new ATOM 0 HD11 LEU A 155 63.150 -0.228 1.560 1.00 0.00 H new ATOM 0 HD12 LEU A 155 64.783 -0.034 2.240 1.00 0.00 H new ATOM 0 HD13 LEU A 155 64.492 0.297 0.515 1.00 0.00 H new ATOM 0 HD21 LEU A 155 62.647 -2.082 0.013 1.00 0.00 H new ATOM 0 HD22 LEU A 155 63.981 -1.567 -1.046 1.00 0.00 H new ATOM 0 HD23 LEU A 155 63.914 -3.243 -0.449 1.00 0.00 H new ATOM 920 N TYR A 156 68.747 -3.372 1.415 1.00 0.00 N ATOM 921 CA TYR A 156 70.184 -3.529 1.217 1.00 0.00 C ATOM 922 C TYR A 156 70.509 -4.962 0.807 1.00 0.00 C ATOM 923 O TYR A 156 71.269 -5.200 -0.132 1.00 0.00 O ATOM 924 CB TYR A 156 70.904 -3.166 2.520 1.00 0.00 C ATOM 925 CG TYR A 156 72.394 -3.422 2.516 1.00 0.00 C ATOM 926 CD1 TYR A 156 73.228 -2.728 1.631 1.00 0.00 C ATOM 927 CD2 TYR A 156 72.940 -4.347 3.413 1.00 0.00 C ATOM 928 CE1 TYR A 156 74.609 -2.963 1.645 1.00 0.00 C ATOM 929 CE2 TYR A 156 74.320 -4.582 3.425 1.00 0.00 C ATOM 930 CZ TYR A 156 75.155 -3.889 2.542 1.00 0.00 C ATOM 931 OH TYR A 156 76.515 -4.120 2.553 1.00 0.00 O ATOM 0 H TYR A 156 68.482 -3.052 2.347 1.00 0.00 H new ATOM 0 HA TYR A 156 70.520 -2.867 0.419 1.00 0.00 H new ATOM 0 HB2 TYR A 156 70.732 -2.111 2.731 1.00 0.00 H new ATOM 0 HB3 TYR A 156 70.455 -3.732 3.336 1.00 0.00 H new ATOM 0 HD1 TYR A 156 72.808 -2.013 0.939 1.00 0.00 H new ATOM 0 HD2 TYR A 156 72.296 -4.880 4.097 1.00 0.00 H new ATOM 0 HE1 TYR A 156 75.254 -2.429 0.963 1.00 0.00 H new ATOM 0 HE2 TYR A 156 74.740 -5.298 4.116 1.00 0.00 H new ATOM 0 HH TYR A 156 76.727 -4.790 3.236 1.00 0.00 H new ATOM 941 N MET A 157 69.904 -5.916 1.502 1.00 0.00 N ATOM 942 CA MET A 157 70.142 -7.327 1.219 1.00 0.00 C ATOM 943 C MET A 157 69.791 -7.645 -0.232 1.00 0.00 C ATOM 944 O MET A 157 70.558 -8.294 -0.944 1.00 0.00 O ATOM 945 CB MET A 157 69.295 -8.182 2.164 1.00 0.00 C ATOM 946 CG MET A 157 69.593 -9.667 1.943 1.00 0.00 C ATOM 947 SD MET A 157 68.580 -10.656 3.070 1.00 0.00 S ATOM 948 CE MET A 157 66.967 -10.249 2.357 1.00 0.00 C ATOM 0 H MET A 157 69.247 -5.741 2.263 1.00 0.00 H new ATOM 0 HA MET A 157 71.198 -7.550 1.374 1.00 0.00 H new ATOM 0 HB2 MET A 157 69.506 -7.911 3.199 1.00 0.00 H new ATOM 0 HB3 MET A 157 68.236 -7.987 1.993 1.00 0.00 H new ATOM 0 HG2 MET A 157 69.382 -9.942 0.910 1.00 0.00 H new ATOM 0 HG3 MET A 157 70.650 -9.867 2.116 1.00 0.00 H new ATOM 0 HE1 MET A 157 66.274 -11.072 2.532 1.00 0.00 H new ATOM 0 HE2 MET A 157 66.581 -9.343 2.824 1.00 0.00 H new ATOM 0 HE3 MET A 157 67.074 -10.087 1.284 1.00 0.00 H new ATOM 958 N GLU A 158 68.637 -7.160 -0.672 1.00 0.00 N ATOM 959 CA GLU A 158 68.170 -7.446 -2.023 1.00 0.00 C ATOM 960 C GLU A 158 69.188 -6.969 -3.052 1.00 0.00 C ATOM 961 O GLU A 158 69.529 -7.693 -3.987 1.00 0.00 O ATOM 962 CB GLU A 158 66.825 -6.759 -2.271 1.00 0.00 C ATOM 963 CG GLU A 158 65.775 -7.335 -1.317 1.00 0.00 C ATOM 964 CD GLU A 158 64.383 -6.768 -1.605 1.00 0.00 C ATOM 965 OE1 GLU A 158 64.286 -5.731 -2.244 1.00 0.00 O ATOM 966 OE2 GLU A 158 63.423 -7.381 -1.168 1.00 0.00 O ATOM 0 H GLU A 158 68.012 -6.572 -0.120 1.00 0.00 H new ATOM 0 HA GLU A 158 68.047 -8.524 -2.124 1.00 0.00 H new ATOM 0 HB2 GLU A 158 66.920 -5.684 -2.118 1.00 0.00 H new ATOM 0 HB3 GLU A 158 66.513 -6.908 -3.305 1.00 0.00 H new ATOM 0 HG2 GLU A 158 65.753 -8.421 -1.411 1.00 0.00 H new ATOM 0 HG3 GLU A 158 66.055 -7.110 -0.288 1.00 0.00 H new ATOM 973 N ALA A 159 69.695 -5.757 -2.857 1.00 0.00 N ATOM 974 CA ALA A 159 70.658 -5.190 -3.795 1.00 0.00 C ATOM 975 C ALA A 159 71.893 -6.078 -3.889 1.00 0.00 C ATOM 976 O ALA A 159 72.380 -6.376 -4.980 1.00 0.00 O ATOM 977 CB ALA A 159 71.069 -3.788 -3.348 1.00 0.00 C ATOM 0 H ALA A 159 69.460 -5.154 -2.069 1.00 0.00 H new ATOM 0 HA ALA A 159 70.187 -5.130 -4.776 1.00 0.00 H new ATOM 0 HB1 ALA A 159 71.788 -3.376 -4.056 1.00 0.00 H new ATOM 0 HB2 ALA A 159 70.189 -3.146 -3.309 1.00 0.00 H new ATOM 0 HB3 ALA A 159 71.524 -3.840 -2.359 1.00 0.00 H new ATOM 983 N LEU A 160 72.382 -6.528 -2.739 1.00 0.00 N ATOM 984 CA LEU A 160 73.580 -7.362 -2.701 1.00 0.00 C ATOM 985 C LEU A 160 73.400 -8.599 -3.572 1.00 0.00 C ATOM 986 O LEU A 160 74.305 -8.993 -4.307 1.00 0.00 O ATOM 987 CB LEU A 160 73.875 -7.799 -1.264 1.00 0.00 C ATOM 988 CG LEU A 160 74.250 -6.584 -0.413 1.00 0.00 C ATOM 989 CD1 LEU A 160 74.331 -6.997 1.059 1.00 0.00 C ATOM 990 CD2 LEU A 160 75.610 -6.043 -0.867 1.00 0.00 C ATOM 0 H LEU A 160 71.972 -6.332 -1.826 1.00 0.00 H new ATOM 0 HA LEU A 160 74.414 -6.773 -3.083 1.00 0.00 H new ATOM 0 HB2 LEU A 160 73.002 -8.295 -0.840 1.00 0.00 H new ATOM 0 HB3 LEU A 160 74.689 -8.524 -1.256 1.00 0.00 H new ATOM 0 HG LEU A 160 73.492 -5.809 -0.532 1.00 0.00 H new ATOM 0 HD11 LEU A 160 74.598 -6.132 1.666 1.00 0.00 H new ATOM 0 HD12 LEU A 160 73.364 -7.382 1.383 1.00 0.00 H new ATOM 0 HD13 LEU A 160 75.089 -7.772 1.178 1.00 0.00 H new ATOM 0 HD21 LEU A 160 75.878 -5.177 -0.261 1.00 0.00 H new ATOM 0 HD22 LEU A 160 76.368 -6.818 -0.748 1.00 0.00 H new ATOM 0 HD23 LEU A 160 75.553 -5.749 -1.915 1.00 0.00 H new ATOM 1002 N GLN A 161 72.223 -9.206 -3.482 1.00 0.00 N ATOM 1003 CA GLN A 161 71.926 -10.389 -4.278 1.00 0.00 C ATOM 1004 C GLN A 161 72.034 -10.066 -5.765 1.00 0.00 C ATOM 1005 O GLN A 161 72.685 -10.782 -6.523 1.00 0.00 O ATOM 1006 CB GLN A 161 70.516 -10.893 -3.963 1.00 0.00 C ATOM 1007 CG GLN A 161 70.439 -11.308 -2.493 1.00 0.00 C ATOM 1008 CD GLN A 161 69.083 -11.944 -2.203 1.00 0.00 C ATOM 1009 OE1 GLN A 161 68.862 -13.111 -2.520 1.00 0.00 O ATOM 1010 NE2 GLN A 161 68.156 -11.239 -1.613 1.00 0.00 N ATOM 0 H GLN A 161 71.465 -8.902 -2.871 1.00 0.00 H new ATOM 0 HA GLN A 161 72.649 -11.166 -4.029 1.00 0.00 H new ATOM 0 HB2 GLN A 161 69.784 -10.112 -4.170 1.00 0.00 H new ATOM 0 HB3 GLN A 161 70.269 -11.739 -4.604 1.00 0.00 H new ATOM 0 HG2 GLN A 161 71.238 -12.013 -2.263 1.00 0.00 H new ATOM 0 HG3 GLN A 161 70.587 -10.439 -1.852 1.00 0.00 H new ATOM 0 HE21 GLN A 161 68.341 -10.271 -1.351 1.00 0.00 H new ATOM 0 HE22 GLN A 161 67.247 -11.656 -1.414 1.00 0.00 H new ATOM 1019 N ARG A 162 71.441 -8.947 -6.163 1.00 0.00 N ATOM 1020 CA ARG A 162 71.420 -8.559 -7.569 1.00 0.00 C ATOM 1021 C ARG A 162 72.834 -8.483 -8.141 1.00 0.00 C ATOM 1022 O ARG A 162 73.084 -8.916 -9.266 1.00 0.00 O ATOM 1023 CB ARG A 162 70.746 -7.193 -7.722 1.00 0.00 C ATOM 1024 CG ARG A 162 69.294 -7.262 -7.231 1.00 0.00 C ATOM 1025 CD ARG A 162 68.432 -6.257 -8.000 1.00 0.00 C ATOM 1026 NE ARG A 162 68.267 -6.691 -9.391 1.00 0.00 N ATOM 1027 CZ ARG A 162 67.308 -6.222 -10.205 1.00 0.00 C ATOM 1028 NH1 ARG A 162 66.432 -5.329 -9.810 1.00 0.00 N ATOM 1029 NH2 ARG A 162 67.246 -6.668 -11.428 1.00 0.00 N ATOM 0 H ARG A 162 70.970 -8.295 -5.536 1.00 0.00 H new ATOM 0 HA ARG A 162 70.860 -9.316 -8.117 1.00 0.00 H new ATOM 0 HB2 ARG A 162 71.295 -6.443 -7.153 1.00 0.00 H new ATOM 0 HB3 ARG A 162 70.770 -6.882 -8.766 1.00 0.00 H new ATOM 0 HG2 ARG A 162 68.902 -8.270 -7.369 1.00 0.00 H new ATOM 0 HG3 ARG A 162 69.252 -7.047 -6.163 1.00 0.00 H new ATOM 0 HD2 ARG A 162 67.457 -6.163 -7.523 1.00 0.00 H new ATOM 0 HD3 ARG A 162 68.897 -5.271 -7.972 1.00 0.00 H new ATOM 0 HE ARG A 162 68.916 -7.386 -9.760 1.00 0.00 H new ATOM 0 HH11 ARG A 162 66.466 -4.968 -8.857 1.00 0.00 H new ATOM 0 HH12 ARG A 162 65.717 -4.995 -10.456 1.00 0.00 H new ATOM 0 HH21 ARG A 162 67.919 -7.362 -11.753 1.00 0.00 H new ATOM 0 HH22 ARG A 162 66.524 -6.323 -12.061 1.00 0.00 H new ATOM 1043 N ILE A 163 73.753 -7.930 -7.359 1.00 0.00 N ATOM 1044 CA ILE A 163 75.117 -7.702 -7.842 1.00 0.00 C ATOM 1045 C ILE A 163 76.055 -8.893 -7.611 1.00 0.00 C ATOM 1046 O ILE A 163 77.273 -8.750 -7.726 1.00 0.00 O ATOM 1047 CB ILE A 163 75.701 -6.447 -7.184 1.00 0.00 C ATOM 1048 CG1 ILE A 163 75.674 -6.598 -5.660 1.00 0.00 C ATOM 1049 CG2 ILE A 163 74.870 -5.229 -7.598 1.00 0.00 C ATOM 1050 CD1 ILE A 163 76.513 -5.490 -5.019 1.00 0.00 C ATOM 0 H ILE A 163 73.586 -7.633 -6.398 1.00 0.00 H new ATOM 0 HA ILE A 163 75.044 -7.567 -8.921 1.00 0.00 H new ATOM 0 HB ILE A 163 76.733 -6.313 -7.508 1.00 0.00 H new ATOM 0 HG12 ILE A 163 74.647 -6.546 -5.298 1.00 0.00 H new ATOM 0 HG13 ILE A 163 76.064 -7.575 -5.374 1.00 0.00 H new ATOM 0 HG21 ILE A 163 75.281 -4.333 -7.133 1.00 0.00 H new ATOM 0 HG22 ILE A 163 74.899 -5.121 -8.682 1.00 0.00 H new ATOM 0 HG23 ILE A 163 73.838 -5.365 -7.274 1.00 0.00 H new ATOM 0 HD11 ILE A 163 76.492 -5.599 -3.935 1.00 0.00 H new ATOM 0 HD12 ILE A 163 77.542 -5.562 -5.372 1.00 0.00 H new ATOM 0 HD13 ILE A 163 76.103 -4.518 -5.294 1.00 0.00 H new ATOM 1062 N GLY A 164 75.505 -10.062 -7.287 1.00 0.00 N ATOM 1063 CA GLY A 164 76.310 -11.276 -7.173 1.00 0.00 C ATOM 1064 C GLY A 164 77.185 -11.307 -5.917 1.00 0.00 C ATOM 1065 O GLY A 164 78.168 -12.048 -5.871 1.00 0.00 O ATOM 0 H GLY A 164 74.511 -10.194 -7.100 1.00 0.00 H new ATOM 0 HA2 GLY A 164 75.649 -12.143 -7.168 1.00 0.00 H new ATOM 0 HA3 GLY A 164 76.947 -11.365 -8.053 1.00 0.00 H new ATOM 1069 N ARG A 165 76.841 -10.515 -4.906 1.00 0.00 N ATOM 1070 CA ARG A 165 77.578 -10.535 -3.647 1.00 0.00 C ATOM 1071 C ARG A 165 76.867 -11.425 -2.633 1.00 0.00 C ATOM 1072 O ARG A 165 76.069 -10.950 -1.825 1.00 0.00 O ATOM 1073 CB ARG A 165 77.715 -9.117 -3.088 1.00 0.00 C ATOM 1074 CG ARG A 165 78.659 -8.308 -3.981 1.00 0.00 C ATOM 1075 CD ARG A 165 78.953 -6.957 -3.326 1.00 0.00 C ATOM 1076 NE ARG A 165 79.734 -6.112 -4.236 1.00 0.00 N ATOM 1077 CZ ARG A 165 80.272 -4.937 -3.875 1.00 0.00 C ATOM 1078 NH1 ARG A 165 80.138 -4.447 -2.666 1.00 0.00 N ATOM 1079 NH2 ARG A 165 80.952 -4.258 -4.757 1.00 0.00 N ATOM 0 H ARG A 165 76.063 -9.856 -4.933 1.00 0.00 H new ATOM 0 HA ARG A 165 78.573 -10.938 -3.836 1.00 0.00 H new ATOM 0 HB2 ARG A 165 76.738 -8.636 -3.043 1.00 0.00 H new ATOM 0 HB3 ARG A 165 78.101 -9.151 -2.069 1.00 0.00 H new ATOM 0 HG2 ARG A 165 79.587 -8.857 -4.138 1.00 0.00 H new ATOM 0 HG3 ARG A 165 78.208 -8.158 -4.962 1.00 0.00 H new ATOM 0 HD2 ARG A 165 78.019 -6.459 -3.068 1.00 0.00 H new ATOM 0 HD3 ARG A 165 79.502 -7.107 -2.396 1.00 0.00 H new ATOM 0 HE ARG A 165 79.875 -6.435 -5.193 1.00 0.00 H new ATOM 0 HH11 ARG A 165 79.610 -4.963 -1.962 1.00 0.00 H new ATOM 0 HH12 ARG A 165 80.562 -3.550 -2.429 1.00 0.00 H new ATOM 0 HH21 ARG A 165 81.067 -4.622 -5.703 1.00 0.00 H new ATOM 0 HH22 ARG A 165 81.368 -3.363 -4.501 1.00 0.00 H new