USER MOD reduce.3.24.130724 H: found=0, std=0, add=331, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 334 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 353 ASN : amide:sc= -0.119 X(o=-0.23,f=-0.31) USER MOD Set 1.2: A 355 ASN :FLIP amide:sc= -0.115 X(o=-0.31,f=-0.23) USER MOD Set 2.1: A 332 SER OG : rot 180:sc=0.000198 USER MOD Set 2.2: A 333 SER OG : rot 180:sc= 0 USER MOD Single : A 311 MET CE :methyl 160:sc= -0.0946 (180deg=-0.573) USER MOD Single : A 312 ASN : amide:sc=-0.00165 X(o=-0.0016,f=0) USER MOD Single : A 317 SER OG : rot 180:sc= 0 USER MOD Single : A 319 ASN : amide:sc= -1.68! C(o=-1.7!,f=-4.4!) USER MOD Single : A 322 MET CE :methyl -130:sc= -2.86! (180deg=-3.92!) USER MOD Single : A 323 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 327 GLN : amide:sc= -0.666 K(o=-0.67,f=-4.5!) USER MOD Single : A 331 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 336 MET CE :methyl 157:sc= -0.273 (180deg=-1.02) USER MOD Single : A 337 MET CE :methyl 160:sc= -0.171 (180deg=-0.733) USER MOD Single : A 339 MET CE :methyl 163:sc= -0.0548 (180deg=-0.432) USER MOD Single : A 342 SER OG : rot 72:sc= 1.17 USER MOD Single : A 343 GLN : amide:sc=-0.00384 X(o=-0.0038,f=0.015) USER MOD Single : A 344 GLN : amide:sc= 0 K(o=0,f=-0.57) USER MOD Single : A 345 ASN :FLIP amide:sc= -0.419 F(o=-1.1,f=-0.42) USER MOD Single : A 346 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 347 SER OG : rot 74:sc= 0.711 USER MOD Single : A 350 SER OG : rot 180:sc= 0 USER MOD Single : A 352 ASN : amide:sc= 0 X(o=0,f=-0.5) USER MOD Single : A 354 GLN : amide:sc= -0.443 K(o=-0.44,f=-1) USER MOD Single : A 356 GLN : amide:sc= 0 K(o=0,f=-0.56) USER MOD Single : A 358 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 359 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 360 GLN : amide:sc= 0 X(o=0,f=-0.4) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 311 35.441 -5.030 9.651 1.00 17.40 N ATOM 2 CA MET A 311 34.310 -5.688 10.343 1.00 17.36 C ATOM 3 C MET A 311 33.784 -4.800 11.461 1.00 16.99 C ATOM 4 O MET A 311 34.519 -4.449 12.381 1.00 17.05 O ATOM 5 CB MET A 311 34.739 -7.044 10.918 1.00 17.89 C ATOM 6 CG MET A 311 33.607 -7.803 11.599 1.00 18.43 C ATOM 7 SD MET A 311 34.136 -9.387 12.277 1.00 18.82 S ATOM 8 CE MET A 311 35.293 -8.852 13.536 1.00 19.56 C ATOM 0 HA MET A 311 33.517 -5.852 9.613 1.00 17.36 H new ATOM 0 HB2 MET A 311 35.145 -7.658 10.114 1.00 17.89 H new ATOM 0 HB3 MET A 311 35.544 -6.887 11.636 1.00 17.89 H new ATOM 0 HG2 MET A 311 33.195 -7.190 12.400 1.00 18.43 H new ATOM 0 HG3 MET A 311 32.804 -7.970 10.881 1.00 18.43 H new ATOM 0 HE1 MET A 311 35.434 -9.651 14.264 1.00 19.56 H new ATOM 0 HE2 MET A 311 36.250 -8.611 13.072 1.00 19.56 H new ATOM 0 HE3 MET A 311 34.901 -7.968 14.039 1.00 19.56 H new ATOM 20 N ASN A 312 32.513 -4.445 11.376 1.00 16.75 N ATOM 21 CA ASN A 312 31.874 -3.607 12.384 1.00 16.58 C ATOM 22 C ASN A 312 30.362 -3.726 12.272 1.00 16.05 C ATOM 23 O ASN A 312 29.745 -3.103 11.404 1.00 15.92 O ATOM 24 CB ASN A 312 32.305 -2.145 12.225 1.00 16.82 C ATOM 25 CG ASN A 312 31.641 -1.217 13.229 1.00 16.95 C ATOM 26 OD1 ASN A 312 32.113 -1.062 14.355 1.00 17.07 O ATOM 27 ND2 ASN A 312 30.558 -0.574 12.821 1.00 17.09 N ATOM 0 H ASN A 312 31.896 -4.726 10.613 1.00 16.75 H new ATOM 0 HA ASN A 312 32.186 -3.949 13.371 1.00 16.58 H new ATOM 0 HB2 ASN A 312 33.387 -2.077 12.336 1.00 16.82 H new ATOM 0 HB3 ASN A 312 32.067 -1.810 11.216 1.00 16.82 H new ATOM 0 HD21 ASN A 312 30.085 0.077 13.448 1.00 17.09 H new ATOM 0 HD22 ASN A 312 30.197 -0.729 11.880 1.00 17.09 H new ATOM 34 N PHE A 313 29.782 -4.545 13.143 1.00 15.90 N ATOM 35 CA PHE A 313 28.347 -4.828 13.125 1.00 15.59 C ATOM 36 C PHE A 313 27.956 -5.417 11.771 1.00 14.78 C ATOM 37 O PHE A 313 27.141 -4.856 11.030 1.00 14.72 O ATOM 38 CB PHE A 313 27.530 -3.564 13.445 1.00 16.04 C ATOM 39 CG PHE A 313 26.080 -3.838 13.762 1.00 16.54 C ATOM 40 CD1 PHE A 313 25.718 -4.408 14.974 1.00 17.11 C ATOM 41 CD2 PHE A 313 25.082 -3.524 12.851 1.00 16.60 C ATOM 42 CE1 PHE A 313 24.390 -4.658 15.269 1.00 17.71 C ATOM 43 CE2 PHE A 313 23.754 -3.771 13.142 1.00 17.21 C ATOM 44 CZ PHE A 313 23.407 -4.338 14.353 1.00 17.76 C ATOM 0 H PHE A 313 30.290 -5.032 13.881 1.00 15.90 H new ATOM 0 HA PHE A 313 28.121 -5.560 13.900 1.00 15.59 H new ATOM 0 HB2 PHE A 313 27.987 -3.053 14.292 1.00 16.04 H new ATOM 0 HB3 PHE A 313 27.584 -2.883 12.595 1.00 16.04 H new ATOM 0 HD1 PHE A 313 26.482 -4.659 15.695 1.00 17.11 H new ATOM 0 HD2 PHE A 313 25.346 -3.081 11.902 1.00 16.60 H new ATOM 0 HE1 PHE A 313 24.122 -5.103 16.216 1.00 17.71 H new ATOM 0 HE2 PHE A 313 22.988 -3.521 12.423 1.00 17.21 H new ATOM 0 HZ PHE A 313 22.369 -4.531 14.583 1.00 17.76 H new ATOM 54 N GLY A 314 28.569 -6.545 11.446 1.00 14.30 N ATOM 55 CA GLY A 314 28.300 -7.203 10.188 1.00 13.66 C ATOM 56 C GLY A 314 27.214 -8.248 10.312 1.00 13.23 C ATOM 57 O GLY A 314 27.368 -9.228 11.040 1.00 13.59 O ATOM 0 H GLY A 314 29.253 -7.018 12.037 1.00 14.30 H new ATOM 0 HA2 GLY A 314 28.004 -6.460 9.447 1.00 13.66 H new ATOM 0 HA3 GLY A 314 29.213 -7.672 9.822 1.00 13.66 H new ATOM 61 N ALA A 315 26.118 -8.038 9.608 1.00 12.65 N ATOM 62 CA ALA A 315 25.007 -8.973 9.618 1.00 12.37 C ATOM 63 C ALA A 315 24.455 -9.126 8.209 1.00 11.49 C ATOM 64 O ALA A 315 25.110 -8.732 7.248 1.00 11.05 O ATOM 65 CB ALA A 315 23.922 -8.498 10.573 1.00 12.55 C ATOM 0 H ALA A 315 25.972 -7.220 9.016 1.00 12.65 H new ATOM 0 HA ALA A 315 25.360 -9.944 9.965 1.00 12.37 H new ATOM 0 HB1 ALA A 315 23.096 -9.210 10.569 1.00 12.55 H new ATOM 0 HB2 ALA A 315 24.331 -8.423 11.580 1.00 12.55 H new ATOM 0 HB3 ALA A 315 23.560 -7.520 10.255 1.00 12.55 H new ATOM 71 N PHE A 316 23.258 -9.692 8.086 1.00 11.43 N ATOM 72 CA PHE A 316 22.623 -9.846 6.780 1.00 10.85 C ATOM 73 C PHE A 316 22.412 -8.488 6.116 1.00 10.07 C ATOM 74 O PHE A 316 22.511 -8.355 4.896 1.00 9.85 O ATOM 75 CB PHE A 316 21.291 -10.599 6.908 1.00 11.20 C ATOM 76 CG PHE A 316 20.337 -10.021 7.924 1.00 11.56 C ATOM 77 CD1 PHE A 316 20.396 -10.416 9.251 1.00 11.89 C ATOM 78 CD2 PHE A 316 19.378 -9.090 7.549 1.00 11.80 C ATOM 79 CE1 PHE A 316 19.520 -9.891 10.184 1.00 12.42 C ATOM 80 CE2 PHE A 316 18.500 -8.564 8.479 1.00 12.36 C ATOM 81 CZ PHE A 316 18.572 -8.965 9.798 1.00 12.67 C ATOM 0 H PHE A 316 22.711 -10.050 8.869 1.00 11.43 H new ATOM 0 HA PHE A 316 23.288 -10.434 6.148 1.00 10.85 H new ATOM 0 HB2 PHE A 316 20.801 -10.611 5.935 1.00 11.20 H new ATOM 0 HB3 PHE A 316 21.499 -11.636 7.173 1.00 11.20 H new ATOM 0 HD1 PHE A 316 21.134 -11.142 9.560 1.00 11.89 H new ATOM 0 HD2 PHE A 316 19.317 -8.773 6.518 1.00 11.80 H new ATOM 0 HE1 PHE A 316 19.578 -10.206 11.215 1.00 12.42 H new ATOM 0 HE2 PHE A 316 17.759 -7.840 8.174 1.00 12.36 H new ATOM 0 HZ PHE A 316 17.888 -8.555 10.526 1.00 12.67 H new ATOM 91 N SER A 317 22.147 -7.476 6.931 1.00 9.87 N ATOM 92 CA SER A 317 21.921 -6.132 6.433 1.00 9.34 C ATOM 93 C SER A 317 23.253 -5.409 6.226 1.00 8.25 C ATOM 94 O SER A 317 23.627 -4.523 6.999 1.00 8.10 O ATOM 95 CB SER A 317 21.033 -5.353 7.412 1.00 9.90 C ATOM 96 OG SER A 317 20.654 -4.097 6.878 1.00 10.38 O ATOM 0 H SER A 317 22.084 -7.565 7.945 1.00 9.87 H new ATOM 0 HA SER A 317 21.412 -6.194 5.471 1.00 9.34 H new ATOM 0 HB2 SER A 317 20.141 -5.937 7.641 1.00 9.90 H new ATOM 0 HB3 SER A 317 21.567 -5.205 8.351 1.00 9.90 H new ATOM 0 HG SER A 317 20.088 -3.625 7.523 1.00 10.38 H new ATOM 102 N ILE A 318 23.984 -5.819 5.198 1.00 7.73 N ATOM 103 CA ILE A 318 25.223 -5.150 4.830 1.00 6.82 C ATOM 104 C ILE A 318 24.908 -3.872 4.064 1.00 6.18 C ATOM 105 O ILE A 318 25.418 -2.795 4.378 1.00 6.36 O ATOM 106 CB ILE A 318 26.125 -6.057 3.962 1.00 6.89 C ATOM 107 CG1 ILE A 318 26.402 -7.378 4.686 1.00 7.43 C ATOM 108 CG2 ILE A 318 27.435 -5.346 3.639 1.00 7.27 C ATOM 109 CD1 ILE A 318 27.219 -8.362 3.874 1.00 7.71 C ATOM 0 H ILE A 318 23.740 -6.612 4.605 1.00 7.73 H new ATOM 0 HA ILE A 318 25.760 -4.915 5.749 1.00 6.82 H new ATOM 0 HB ILE A 318 25.607 -6.273 3.028 1.00 6.89 H new ATOM 0 HG12 ILE A 318 26.926 -7.167 5.618 1.00 7.43 H new ATOM 0 HG13 ILE A 318 25.452 -7.842 4.952 1.00 7.43 H new ATOM 0 HG21 ILE A 318 28.061 -5.996 3.027 1.00 7.27 H new ATOM 0 HG22 ILE A 318 27.225 -4.426 3.093 1.00 7.27 H new ATOM 0 HG23 ILE A 318 27.957 -5.107 4.565 1.00 7.27 H new ATOM 0 HD11 ILE A 318 27.373 -9.272 4.454 1.00 7.71 H new ATOM 0 HD12 ILE A 318 26.688 -8.604 2.953 1.00 7.71 H new ATOM 0 HD13 ILE A 318 28.185 -7.919 3.630 1.00 7.71 H new ATOM 121 N ASN A 319 24.040 -4.005 3.073 1.00 5.79 N ATOM 122 CA ASN A 319 23.636 -2.884 2.242 1.00 5.44 C ATOM 123 C ASN A 319 22.118 -2.874 2.076 1.00 4.60 C ATOM 124 O ASN A 319 21.478 -3.928 2.040 1.00 4.37 O ATOM 125 CB ASN A 319 24.318 -2.954 0.874 1.00 6.14 C ATOM 126 CG ASN A 319 24.040 -4.253 0.138 1.00 6.86 C ATOM 127 OD1 ASN A 319 23.022 -4.393 -0.538 1.00 7.02 O ATOM 128 ND2 ASN A 319 24.959 -5.202 0.237 1.00 7.58 N ATOM 0 H ASN A 319 23.598 -4.890 2.824 1.00 5.79 H new ATOM 0 HA ASN A 319 23.944 -1.961 2.733 1.00 5.44 H new ATOM 0 HB2 ASN A 319 23.980 -2.117 0.263 1.00 6.14 H new ATOM 0 HB3 ASN A 319 25.394 -2.840 1.004 1.00 6.14 H new ATOM 0 HD21 ASN A 319 24.835 -6.086 -0.257 1.00 7.58 H new ATOM 0 HD22 ASN A 319 25.791 -5.049 0.808 1.00 7.58 H new ATOM 135 N PRO A 320 21.527 -1.669 1.975 1.00 4.45 N ATOM 136 CA PRO A 320 20.070 -1.484 1.898 1.00 4.02 C ATOM 137 C PRO A 320 19.452 -2.061 0.625 1.00 3.55 C ATOM 138 O PRO A 320 18.231 -2.157 0.512 1.00 3.28 O ATOM 139 CB PRO A 320 19.888 0.043 1.924 1.00 4.60 C ATOM 140 CG PRO A 320 21.188 0.590 2.404 1.00 5.20 C ATOM 141 CD PRO A 320 22.237 -0.381 1.952 1.00 5.13 C ATOM 0 HA PRO A 320 19.570 -2.007 2.714 1.00 4.02 H new ATOM 0 HB2 PRO A 320 19.643 0.426 0.933 1.00 4.60 H new ATOM 0 HB3 PRO A 320 19.072 0.330 2.588 1.00 4.60 H new ATOM 0 HG2 PRO A 320 21.370 1.582 1.991 1.00 5.20 H new ATOM 0 HG3 PRO A 320 21.192 0.691 3.489 1.00 5.20 H new ATOM 0 HD2 PRO A 320 22.606 -0.141 0.955 1.00 5.13 H new ATOM 0 HD3 PRO A 320 23.099 -0.383 2.619 1.00 5.13 H new ATOM 149 N ALA A 321 20.291 -2.452 -0.326 1.00 3.54 N ATOM 150 CA ALA A 321 19.807 -3.022 -1.577 1.00 3.23 C ATOM 151 C ALA A 321 19.077 -4.335 -1.326 1.00 2.87 C ATOM 152 O ALA A 321 18.161 -4.694 -2.068 1.00 2.56 O ATOM 153 CB ALA A 321 20.953 -3.230 -2.553 1.00 3.49 C ATOM 0 H ALA A 321 21.306 -2.385 -0.256 1.00 3.54 H new ATOM 0 HA ALA A 321 19.103 -2.317 -2.019 1.00 3.23 H new ATOM 0 HB1 ALA A 321 20.569 -3.656 -3.480 1.00 3.49 H new ATOM 0 HB2 ALA A 321 21.429 -2.273 -2.764 1.00 3.49 H new ATOM 0 HB3 ALA A 321 21.684 -3.911 -2.116 1.00 3.49 H new ATOM 159 N MET A 322 19.471 -5.040 -0.270 1.00 3.00 N ATOM 160 CA MET A 322 18.830 -6.304 0.077 1.00 2.79 C ATOM 161 C MET A 322 17.369 -6.078 0.468 1.00 2.47 C ATOM 162 O MET A 322 16.474 -6.766 -0.019 1.00 2.15 O ATOM 163 CB MET A 322 19.569 -6.981 1.234 1.00 3.15 C ATOM 164 CG MET A 322 18.965 -8.318 1.637 1.00 3.58 C ATOM 165 SD MET A 322 19.598 -8.917 3.218 1.00 4.04 S ATOM 166 CE MET A 322 19.043 -7.607 4.308 1.00 5.05 C ATOM 0 H MET A 322 20.226 -4.760 0.357 1.00 3.00 H new ATOM 0 HA MET A 322 18.868 -6.951 -0.799 1.00 2.79 H new ATOM 0 HB2 MET A 322 20.611 -7.132 0.951 1.00 3.15 H new ATOM 0 HB3 MET A 322 19.566 -6.315 2.097 1.00 3.15 H new ATOM 0 HG2 MET A 322 17.881 -8.219 1.698 1.00 3.58 H new ATOM 0 HG3 MET A 322 19.175 -9.056 0.863 1.00 3.58 H new ATOM 0 HE1 MET A 322 19.877 -7.265 4.920 1.00 5.05 H new ATOM 0 HE2 MET A 322 18.664 -6.775 3.714 1.00 5.05 H new ATOM 0 HE3 MET A 322 18.249 -7.983 4.954 1.00 5.05 H new ATOM 176 N MET A 323 17.134 -5.094 1.333 1.00 2.62 N ATOM 177 CA MET A 323 15.778 -4.777 1.776 1.00 2.46 C ATOM 178 C MET A 323 14.963 -4.230 0.609 1.00 2.10 C ATOM 179 O MET A 323 13.764 -4.475 0.510 1.00 1.85 O ATOM 180 CB MET A 323 15.776 -3.806 2.975 1.00 2.84 C ATOM 181 CG MET A 323 16.144 -2.364 2.656 1.00 3.05 C ATOM 182 SD MET A 323 14.755 -1.410 2.005 1.00 3.43 S ATOM 183 CE MET A 323 15.539 0.174 1.723 1.00 3.62 C ATOM 0 H MET A 323 17.861 -4.505 1.740 1.00 2.62 H new ATOM 0 HA MET A 323 15.310 -5.698 2.124 1.00 2.46 H new ATOM 0 HB2 MET A 323 14.784 -3.817 3.427 1.00 2.84 H new ATOM 0 HB3 MET A 323 16.472 -4.182 3.725 1.00 2.84 H new ATOM 0 HG2 MET A 323 16.518 -1.882 3.559 1.00 3.05 H new ATOM 0 HG3 MET A 323 16.957 -2.354 1.930 1.00 3.05 H new ATOM 0 HE1 MET A 323 14.808 0.875 1.320 1.00 3.62 H new ATOM 0 HE2 MET A 323 15.930 0.559 2.665 1.00 3.62 H new ATOM 0 HE3 MET A 323 16.357 0.054 1.013 1.00 3.62 H new ATOM 193 N ALA A 324 15.632 -3.495 -0.274 1.00 2.17 N ATOM 194 CA ALA A 324 14.993 -2.936 -1.460 1.00 1.99 C ATOM 195 C ALA A 324 14.531 -4.045 -2.399 1.00 1.65 C ATOM 196 O ALA A 324 13.421 -4.000 -2.928 1.00 1.44 O ATOM 197 CB ALA A 324 15.941 -1.989 -2.180 1.00 2.32 C ATOM 0 H ALA A 324 16.624 -3.272 -0.189 1.00 2.17 H new ATOM 0 HA ALA A 324 14.117 -2.372 -1.141 1.00 1.99 H new ATOM 0 HB1 ALA A 324 15.448 -1.581 -3.062 1.00 2.32 H new ATOM 0 HB2 ALA A 324 16.219 -1.175 -1.511 1.00 2.32 H new ATOM 0 HB3 ALA A 324 16.836 -2.532 -2.483 1.00 2.32 H new ATOM 203 N ALA A 325 15.385 -5.044 -2.597 1.00 1.69 N ATOM 204 CA ALA A 325 15.028 -6.200 -3.410 1.00 1.53 C ATOM 205 C ALA A 325 13.944 -7.017 -2.718 1.00 1.28 C ATOM 206 O ALA A 325 13.071 -7.595 -3.364 1.00 1.15 O ATOM 207 CB ALA A 325 16.254 -7.060 -3.679 1.00 1.81 C ATOM 0 H ALA A 325 16.327 -5.076 -2.207 1.00 1.69 H new ATOM 0 HA ALA A 325 14.640 -5.847 -4.365 1.00 1.53 H new ATOM 0 HB1 ALA A 325 15.970 -7.919 -4.287 1.00 1.81 H new ATOM 0 HB2 ALA A 325 17.002 -6.471 -4.210 1.00 1.81 H new ATOM 0 HB3 ALA A 325 16.670 -7.407 -2.733 1.00 1.81 H new ATOM 213 N ALA A 326 14.002 -7.036 -1.394 1.00 1.36 N ATOM 214 CA ALA A 326 13.047 -7.758 -0.582 1.00 1.30 C ATOM 215 C ALA A 326 11.680 -7.101 -0.663 1.00 1.05 C ATOM 216 O ALA A 326 10.669 -7.782 -0.624 1.00 0.93 O ATOM 217 CB ALA A 326 13.526 -7.812 0.860 1.00 1.68 C ATOM 0 H ALA A 326 14.718 -6.548 -0.856 1.00 1.36 H new ATOM 0 HA ALA A 326 12.962 -8.776 -0.961 1.00 1.30 H new ATOM 0 HB1 ALA A 326 12.801 -8.357 1.464 1.00 1.68 H new ATOM 0 HB2 ALA A 326 14.490 -8.319 0.904 1.00 1.68 H new ATOM 0 HB3 ALA A 326 13.631 -6.798 1.247 1.00 1.68 H new ATOM 223 N GLN A 327 11.673 -5.776 -0.783 1.00 1.11 N ATOM 224 CA GLN A 327 10.445 -4.979 -0.779 1.00 1.11 C ATOM 225 C GLN A 327 9.426 -5.495 -1.780 1.00 0.86 C ATOM 226 O GLN A 327 8.249 -5.650 -1.453 1.00 0.84 O ATOM 227 CB GLN A 327 10.762 -3.562 -1.187 1.00 1.38 C ATOM 228 CG GLN A 327 9.802 -2.524 -0.627 1.00 1.63 C ATOM 229 CD GLN A 327 9.965 -2.313 0.869 1.00 1.81 C ATOM 230 OE1 GLN A 327 10.346 -3.222 1.609 1.00 2.56 O ATOM 231 NE2 GLN A 327 9.682 -1.104 1.323 1.00 1.90 N ATOM 0 H GLN A 327 12.522 -5.220 -0.886 1.00 1.11 H new ATOM 0 HA GLN A 327 10.036 -5.039 0.230 1.00 1.11 H new ATOM 0 HB2 GLN A 327 11.773 -3.319 -0.861 1.00 1.38 H new ATOM 0 HB3 GLN A 327 10.754 -3.498 -2.275 1.00 1.38 H new ATOM 0 HG2 GLN A 327 9.959 -1.576 -1.142 1.00 1.63 H new ATOM 0 HG3 GLN A 327 8.778 -2.834 -0.836 1.00 1.63 H new ATOM 0 HE21 GLN A 327 9.369 -0.378 0.679 1.00 1.90 H new ATOM 0 HE22 GLN A 327 9.776 -0.898 2.317 1.00 1.90 H new ATOM 240 N ALA A 328 9.888 -5.729 -3.006 1.00 0.82 N ATOM 241 CA ALA A 328 9.024 -6.217 -4.071 1.00 0.84 C ATOM 242 C ALA A 328 8.303 -7.451 -3.619 1.00 0.70 C ATOM 243 O ALA A 328 7.118 -7.642 -3.878 1.00 0.80 O ATOM 244 CB ALA A 328 9.822 -6.588 -5.296 1.00 0.98 C ATOM 0 H ALA A 328 10.859 -5.587 -3.284 1.00 0.82 H new ATOM 0 HA ALA A 328 8.324 -5.417 -4.312 1.00 0.84 H new ATOM 0 HB1 ALA A 328 9.149 -6.949 -6.073 1.00 0.98 H new ATOM 0 HB2 ALA A 328 10.359 -5.712 -5.659 1.00 0.98 H new ATOM 0 HB3 ALA A 328 10.536 -7.372 -5.042 1.00 0.98 H new ATOM 250 N ALA A 329 9.049 -8.295 -2.946 1.00 0.61 N ATOM 251 CA ALA A 329 8.535 -9.560 -2.532 1.00 0.69 C ATOM 252 C ALA A 329 7.720 -9.391 -1.258 1.00 0.55 C ATOM 253 O ALA A 329 6.721 -10.073 -1.027 1.00 0.63 O ATOM 254 CB ALA A 329 9.651 -10.576 -2.350 1.00 0.92 C ATOM 0 H ALA A 329 10.017 -8.119 -2.677 1.00 0.61 H new ATOM 0 HA ALA A 329 7.880 -9.946 -3.313 1.00 0.69 H new ATOM 0 HB1 ALA A 329 9.227 -11.529 -2.034 1.00 0.92 H new ATOM 0 HB2 ALA A 329 10.180 -10.709 -3.294 1.00 0.92 H new ATOM 0 HB3 ALA A 329 10.347 -10.219 -1.591 1.00 0.92 H new ATOM 260 N LEU A 330 8.183 -8.454 -0.443 1.00 0.46 N ATOM 261 CA LEU A 330 7.544 -8.070 0.804 1.00 0.45 C ATOM 262 C LEU A 330 6.198 -7.401 0.530 1.00 0.41 C ATOM 263 O LEU A 330 5.454 -7.078 1.457 1.00 0.46 O ATOM 264 CB LEU A 330 8.458 -7.111 1.576 1.00 0.59 C ATOM 265 CG LEU A 330 8.097 -6.914 3.052 1.00 0.93 C ATOM 266 CD1 LEU A 330 8.222 -8.224 3.817 1.00 1.52 C ATOM 267 CD2 LEU A 330 8.973 -5.841 3.677 1.00 1.59 C ATOM 0 H LEU A 330 9.035 -7.928 -0.637 1.00 0.46 H new ATOM 0 HA LEU A 330 7.371 -8.965 1.402 1.00 0.45 H new ATOM 0 HB2 LEU A 330 9.481 -7.481 1.515 1.00 0.59 H new ATOM 0 HB3 LEU A 330 8.440 -6.140 1.081 1.00 0.59 H new ATOM 0 HG LEU A 330 7.059 -6.585 3.109 1.00 0.93 H new ATOM 0 HD11 LEU A 330 7.961 -8.061 4.863 1.00 1.52 H new ATOM 0 HD12 LEU A 330 7.547 -8.963 3.386 1.00 1.52 H new ATOM 0 HD13 LEU A 330 9.248 -8.587 3.751 1.00 1.52 H new ATOM 0 HD21 LEU A 330 8.702 -5.715 4.725 1.00 1.59 H new ATOM 0 HD22 LEU A 330 10.019 -6.138 3.606 1.00 1.59 H new ATOM 0 HD23 LEU A 330 8.827 -4.899 3.149 1.00 1.59 H new ATOM 279 N GLN A 331 5.923 -7.161 -0.753 1.00 0.46 N ATOM 280 CA GLN A 331 4.681 -6.535 -1.199 1.00 0.59 C ATOM 281 C GLN A 331 3.449 -7.183 -0.557 1.00 0.59 C ATOM 282 O GLN A 331 2.425 -6.530 -0.374 1.00 0.70 O ATOM 283 CB GLN A 331 4.575 -6.600 -2.726 1.00 0.77 C ATOM 284 CG GLN A 331 3.256 -6.082 -3.282 1.00 1.46 C ATOM 285 CD GLN A 331 3.251 -6.016 -4.794 1.00 1.83 C ATOM 286 OE1 GLN A 331 2.919 -6.989 -5.471 1.00 2.27 O ATOM 287 NE2 GLN A 331 3.602 -4.861 -5.333 1.00 2.41 N ATOM 0 H GLN A 331 6.560 -7.397 -1.514 1.00 0.46 H new ATOM 0 HA GLN A 331 4.707 -5.493 -0.881 1.00 0.59 H new ATOM 0 HB2 GLN A 331 5.391 -6.023 -3.161 1.00 0.77 H new ATOM 0 HB3 GLN A 331 4.710 -7.634 -3.045 1.00 0.77 H new ATOM 0 HG2 GLN A 331 2.445 -6.729 -2.947 1.00 1.46 H new ATOM 0 HG3 GLN A 331 3.060 -5.089 -2.877 1.00 1.46 H new ATOM 0 HE21 GLN A 331 3.870 -4.080 -4.735 1.00 2.41 H new ATOM 0 HE22 GLN A 331 3.604 -4.751 -6.347 1.00 2.41 H new ATOM 296 N SER A 332 3.566 -8.459 -0.209 1.00 0.53 N ATOM 297 CA SER A 332 2.506 -9.173 0.489 1.00 0.59 C ATOM 298 C SER A 332 2.064 -8.406 1.740 1.00 0.58 C ATOM 299 O SER A 332 0.873 -8.210 1.974 1.00 0.67 O ATOM 300 CB SER A 332 3.004 -10.569 0.863 1.00 0.63 C ATOM 301 OG SER A 332 4.283 -10.495 1.475 1.00 1.46 O ATOM 0 H SER A 332 4.393 -9.024 -0.402 1.00 0.53 H new ATOM 0 HA SER A 332 1.641 -9.261 -0.168 1.00 0.59 H new ATOM 0 HB2 SER A 332 2.296 -11.044 1.543 1.00 0.63 H new ATOM 0 HB3 SER A 332 3.057 -11.193 -0.029 1.00 0.63 H new ATOM 0 HG SER A 332 4.586 -11.397 1.710 1.00 1.46 H new ATOM 307 N SER A 333 3.038 -7.973 2.530 1.00 0.54 N ATOM 308 CA SER A 333 2.772 -7.220 3.745 1.00 0.62 C ATOM 309 C SER A 333 2.756 -5.715 3.470 1.00 0.65 C ATOM 310 O SER A 333 1.847 -5.002 3.896 1.00 0.70 O ATOM 311 CB SER A 333 3.834 -7.541 4.795 1.00 0.74 C ATOM 312 OG SER A 333 3.984 -8.939 4.966 1.00 1.39 O ATOM 0 H SER A 333 4.028 -8.133 2.347 1.00 0.54 H new ATOM 0 HA SER A 333 1.789 -7.510 4.117 1.00 0.62 H new ATOM 0 HB2 SER A 333 4.787 -7.105 4.496 1.00 0.74 H new ATOM 0 HB3 SER A 333 3.558 -7.084 5.745 1.00 0.74 H new ATOM 0 HG SER A 333 4.671 -9.114 5.642 1.00 1.39 H new ATOM 318 N TRP A 334 3.754 -5.243 2.736 1.00 0.67 N ATOM 319 CA TRP A 334 3.978 -3.811 2.565 1.00 0.77 C ATOM 320 C TRP A 334 3.160 -3.243 1.405 1.00 0.76 C ATOM 321 O TRP A 334 2.456 -2.245 1.562 1.00 0.83 O ATOM 322 CB TRP A 334 5.476 -3.563 2.343 1.00 0.89 C ATOM 323 CG TRP A 334 5.830 -2.161 1.942 1.00 1.04 C ATOM 324 CD1 TRP A 334 5.978 -1.079 2.762 1.00 1.68 C ATOM 325 CD2 TRP A 334 6.095 -1.696 0.614 1.00 1.63 C ATOM 326 NE1 TRP A 334 6.317 0.029 2.023 1.00 2.16 N ATOM 327 CE2 TRP A 334 6.391 -0.325 0.701 1.00 2.03 C ATOM 328 CE3 TRP A 334 6.101 -2.307 -0.642 1.00 2.43 C ATOM 329 CZ2 TRP A 334 6.697 0.444 -0.421 1.00 2.72 C ATOM 330 CZ3 TRP A 334 6.407 -1.546 -1.751 1.00 3.17 C ATOM 331 CH2 TRP A 334 6.699 -0.181 -1.635 1.00 3.18 C ATOM 0 H TRP A 334 4.426 -5.833 2.246 1.00 0.67 H new ATOM 0 HA TRP A 334 3.648 -3.297 3.468 1.00 0.77 H new ATOM 0 HB2 TRP A 334 6.010 -3.809 3.261 1.00 0.89 H new ATOM 0 HB3 TRP A 334 5.833 -4.247 1.573 1.00 0.89 H new ATOM 0 HD1 TRP A 334 5.848 -1.092 3.834 1.00 1.68 H new ATOM 0 HE1 TRP A 334 6.486 0.963 2.397 1.00 2.16 H new ATOM 0 HE3 TRP A 334 5.870 -3.357 -0.743 1.00 2.43 H new ATOM 0 HZ2 TRP A 334 6.924 1.496 -0.333 1.00 2.72 H new ATOM 0 HZ3 TRP A 334 6.422 -2.011 -2.726 1.00 3.17 H new ATOM 0 HH2 TRP A 334 6.930 0.388 -2.523 1.00 3.18 H new ATOM 342 N GLY A 335 3.240 -3.892 0.252 1.00 0.74 N ATOM 343 CA GLY A 335 2.550 -3.407 -0.934 1.00 0.83 C ATOM 344 C GLY A 335 1.042 -3.495 -0.806 1.00 0.76 C ATOM 345 O GLY A 335 0.310 -2.718 -1.424 1.00 0.80 O ATOM 0 H GLY A 335 3.773 -4.751 0.113 1.00 0.74 H new ATOM 0 HA2 GLY A 335 2.836 -2.371 -1.118 1.00 0.83 H new ATOM 0 HA3 GLY A 335 2.872 -3.986 -1.800 1.00 0.83 H new ATOM 349 N MET A 336 0.586 -4.449 -0.005 1.00 0.70 N ATOM 350 CA MET A 336 -0.839 -4.667 0.221 1.00 0.70 C ATOM 351 C MET A 336 -1.511 -3.424 0.806 1.00 0.61 C ATOM 352 O MET A 336 -2.723 -3.274 0.699 1.00 0.61 O ATOM 353 CB MET A 336 -1.072 -5.857 1.152 1.00 0.80 C ATOM 354 CG MET A 336 -2.541 -6.247 1.285 1.00 0.93 C ATOM 355 SD MET A 336 -2.813 -7.578 2.471 1.00 1.58 S ATOM 356 CE MET A 336 -2.088 -6.874 3.951 1.00 2.31 C ATOM 0 H MET A 336 1.191 -5.093 0.506 1.00 0.70 H new ATOM 0 HA MET A 336 -1.286 -4.880 -0.750 1.00 0.70 H new ATOM 0 HB2 MET A 336 -0.509 -6.714 0.782 1.00 0.80 H new ATOM 0 HB3 MET A 336 -0.677 -5.619 2.139 1.00 0.80 H new ATOM 0 HG2 MET A 336 -3.117 -5.373 1.590 1.00 0.93 H new ATOM 0 HG3 MET A 336 -2.919 -6.554 0.310 1.00 0.93 H new ATOM 0 HE1 MET A 336 -2.516 -7.355 4.830 1.00 2.31 H new ATOM 0 HE2 MET A 336 -1.010 -7.033 3.939 1.00 2.31 H new ATOM 0 HE3 MET A 336 -2.297 -5.805 3.985 1.00 2.31 H new ATOM 366 N MET A 337 -0.727 -2.547 1.435 1.00 0.61 N ATOM 367 CA MET A 337 -1.268 -1.319 2.025 1.00 0.62 C ATOM 368 C MET A 337 -2.113 -0.554 1.007 1.00 0.56 C ATOM 369 O MET A 337 -3.258 -0.200 1.278 1.00 0.59 O ATOM 370 CB MET A 337 -0.134 -0.425 2.541 1.00 0.74 C ATOM 371 CG MET A 337 -0.621 0.861 3.192 1.00 1.19 C ATOM 372 SD MET A 337 0.728 1.900 3.789 1.00 2.22 S ATOM 373 CE MET A 337 1.589 2.257 2.261 1.00 3.15 C ATOM 0 H MET A 337 0.280 -2.662 1.549 1.00 0.61 H new ATOM 0 HA MET A 337 -1.905 -1.601 2.864 1.00 0.62 H new ATOM 0 HB2 MET A 337 0.460 -0.986 3.263 1.00 0.74 H new ATOM 0 HB3 MET A 337 0.527 -0.175 1.711 1.00 0.74 H new ATOM 0 HG2 MET A 337 -1.216 1.424 2.473 1.00 1.19 H new ATOM 0 HG3 MET A 337 -1.279 0.614 4.025 1.00 1.19 H new ATOM 0 HE1 MET A 337 2.209 3.144 2.391 1.00 3.15 H new ATOM 0 HE2 MET A 337 2.220 1.410 1.992 1.00 3.15 H new ATOM 0 HE3 MET A 337 0.863 2.435 1.467 1.00 3.15 H new ATOM 383 N GLY A 338 -1.553 -0.340 -0.178 1.00 0.60 N ATOM 384 CA GLY A 338 -2.284 0.337 -1.235 1.00 0.66 C ATOM 385 C GLY A 338 -3.391 -0.518 -1.800 1.00 0.57 C ATOM 386 O GLY A 338 -4.450 -0.007 -2.136 1.00 0.58 O ATOM 0 H GLY A 338 -0.605 -0.623 -0.427 1.00 0.60 H new ATOM 0 HA2 GLY A 338 -2.705 1.264 -0.847 1.00 0.66 H new ATOM 0 HA3 GLY A 338 -1.595 0.610 -2.034 1.00 0.66 H new ATOM 390 N MET A 339 -3.163 -1.823 -1.882 1.00 0.58 N ATOM 391 CA MET A 339 -4.178 -2.735 -2.395 1.00 0.66 C ATOM 392 C MET A 339 -5.398 -2.706 -1.493 1.00 0.54 C ATOM 393 O MET A 339 -6.538 -2.666 -1.957 1.00 0.62 O ATOM 394 CB MET A 339 -3.645 -4.158 -2.424 1.00 0.85 C ATOM 395 CG MET A 339 -2.300 -4.308 -3.119 1.00 1.24 C ATOM 396 SD MET A 339 -1.669 -5.996 -3.064 1.00 2.05 S ATOM 397 CE MET A 339 -2.890 -6.845 -4.061 1.00 2.55 C ATOM 0 H MET A 339 -2.291 -2.271 -1.602 1.00 0.58 H new ATOM 0 HA MET A 339 -4.442 -2.418 -3.404 1.00 0.66 H new ATOM 0 HB2 MET A 339 -3.554 -4.521 -1.400 1.00 0.85 H new ATOM 0 HB3 MET A 339 -4.373 -4.796 -2.925 1.00 0.85 H new ATOM 0 HG2 MET A 339 -2.397 -3.995 -4.159 1.00 1.24 H new ATOM 0 HG3 MET A 339 -1.578 -3.640 -2.651 1.00 1.24 H new ATOM 0 HE1 MET A 339 -2.496 -7.812 -4.374 1.00 2.55 H new ATOM 0 HE2 MET A 339 -3.797 -6.996 -3.475 1.00 2.55 H new ATOM 0 HE3 MET A 339 -3.122 -6.245 -4.941 1.00 2.55 H new ATOM 407 N LEU A 340 -5.135 -2.702 -0.195 1.00 0.46 N ATOM 408 CA LEU A 340 -6.184 -2.731 0.797 1.00 0.58 C ATOM 409 C LEU A 340 -6.896 -1.382 0.845 1.00 0.56 C ATOM 410 O LEU A 340 -8.115 -1.315 0.977 1.00 0.69 O ATOM 411 CB LEU A 340 -5.607 -3.068 2.174 1.00 0.73 C ATOM 412 CG LEU A 340 -6.634 -3.176 3.304 1.00 1.13 C ATOM 413 CD1 LEU A 340 -7.617 -4.302 3.034 1.00 1.60 C ATOM 414 CD2 LEU A 340 -5.936 -3.384 4.637 1.00 1.76 C ATOM 0 H LEU A 340 -4.192 -2.679 0.193 1.00 0.46 H new ATOM 0 HA LEU A 340 -6.903 -3.503 0.521 1.00 0.58 H new ATOM 0 HB2 LEU A 340 -5.069 -4.013 2.103 1.00 0.73 H new ATOM 0 HB3 LEU A 340 -4.877 -2.304 2.441 1.00 0.73 H new ATOM 0 HG LEU A 340 -7.193 -2.241 3.348 1.00 1.13 H new ATOM 0 HD11 LEU A 340 -8.337 -4.360 3.850 1.00 1.60 H new ATOM 0 HD12 LEU A 340 -8.143 -4.109 2.099 1.00 1.60 H new ATOM 0 HD13 LEU A 340 -7.077 -5.246 2.959 1.00 1.60 H new ATOM 0 HD21 LEU A 340 -6.680 -3.459 5.430 1.00 1.76 H new ATOM 0 HD22 LEU A 340 -5.350 -4.303 4.602 1.00 1.76 H new ATOM 0 HD23 LEU A 340 -5.276 -2.540 4.838 1.00 1.76 H new ATOM 426 N ALA A 341 -6.114 -0.311 0.729 1.00 0.52 N ATOM 427 CA ALA A 341 -6.650 1.045 0.745 1.00 0.69 C ATOM 428 C ALA A 341 -7.448 1.334 -0.519 1.00 0.70 C ATOM 429 O ALA A 341 -8.449 2.054 -0.483 1.00 0.88 O ATOM 430 CB ALA A 341 -5.531 2.066 0.903 1.00 0.82 C ATOM 0 H ALA A 341 -5.101 -0.359 0.622 1.00 0.52 H new ATOM 0 HA ALA A 341 -7.321 1.126 1.600 1.00 0.69 H new ATOM 0 HB1 ALA A 341 -5.954 3.071 0.912 1.00 0.82 H new ATOM 0 HB2 ALA A 341 -5.003 1.886 1.840 1.00 0.82 H new ATOM 0 HB3 ALA A 341 -4.834 1.974 0.070 1.00 0.82 H new ATOM 436 N SER A 342 -7.006 0.767 -1.639 1.00 0.64 N ATOM 437 CA SER A 342 -7.689 0.968 -2.909 1.00 0.84 C ATOM 438 C SER A 342 -9.033 0.239 -2.912 1.00 0.86 C ATOM 439 O SER A 342 -10.045 0.781 -3.358 1.00 1.04 O ATOM 440 CB SER A 342 -6.823 0.492 -4.078 1.00 1.02 C ATOM 441 OG SER A 342 -5.594 1.198 -4.117 1.00 1.61 O ATOM 0 H SER A 342 -6.182 0.168 -1.691 1.00 0.64 H new ATOM 0 HA SER A 342 -7.869 2.036 -3.032 1.00 0.84 H new ATOM 0 HB2 SER A 342 -6.630 -0.577 -3.982 1.00 1.02 H new ATOM 0 HB3 SER A 342 -7.360 0.636 -5.016 1.00 1.02 H new ATOM 0 HG SER A 342 -5.023 0.901 -3.378 1.00 1.61 H new ATOM 447 N GLN A 343 -9.028 -0.988 -2.393 1.00 0.77 N ATOM 448 CA GLN A 343 -10.251 -1.775 -2.238 1.00 0.94 C ATOM 449 C GLN A 343 -11.106 -1.188 -1.115 1.00 1.02 C ATOM 450 O GLN A 343 -12.311 -1.450 -1.016 1.00 1.20 O ATOM 451 CB GLN A 343 -9.891 -3.236 -1.931 1.00 1.05 C ATOM 452 CG GLN A 343 -11.086 -4.165 -1.775 1.00 1.73 C ATOM 453 CD GLN A 343 -11.872 -4.343 -3.060 1.00 2.21 C ATOM 454 OE1 GLN A 343 -12.819 -3.607 -3.331 1.00 2.89 O ATOM 455 NE2 GLN A 343 -11.479 -5.322 -3.860 1.00 2.59 N ATOM 0 H GLN A 343 -8.184 -1.462 -2.071 1.00 0.77 H new ATOM 0 HA GLN A 343 -10.823 -1.742 -3.165 1.00 0.94 H new ATOM 0 HB2 GLN A 343 -9.255 -3.615 -2.731 1.00 1.05 H new ATOM 0 HB3 GLN A 343 -9.302 -3.266 -1.014 1.00 1.05 H new ATOM 0 HG2 GLN A 343 -10.739 -5.139 -1.430 1.00 1.73 H new ATOM 0 HG3 GLN A 343 -11.747 -3.771 -1.003 1.00 1.73 H new ATOM 0 HE21 GLN A 343 -10.688 -5.909 -3.597 1.00 2.59 H new ATOM 0 HE22 GLN A 343 -11.967 -5.489 -4.740 1.00 2.59 H new ATOM 464 N GLN A 344 -10.443 -0.374 -0.289 1.00 1.01 N ATOM 465 CA GLN A 344 -11.046 0.299 0.858 1.00 1.26 C ATOM 466 C GLN A 344 -11.233 -0.662 2.024 1.00 1.63 C ATOM 467 O GLN A 344 -11.767 -1.762 1.877 1.00 2.07 O ATOM 468 CB GLN A 344 -12.366 0.989 0.483 1.00 1.72 C ATOM 469 CG GLN A 344 -12.179 2.124 -0.509 1.00 1.96 C ATOM 470 CD GLN A 344 -13.478 2.818 -0.868 1.00 2.53 C ATOM 471 OE1 GLN A 344 -14.408 2.887 -0.065 1.00 3.07 O ATOM 472 NE2 GLN A 344 -13.545 3.341 -2.081 1.00 3.10 N ATOM 0 H GLN A 344 -9.452 -0.162 -0.404 1.00 1.01 H new ATOM 0 HA GLN A 344 -10.355 1.079 1.178 1.00 1.26 H new ATOM 0 HB2 GLN A 344 -13.048 0.252 0.059 1.00 1.72 H new ATOM 0 HB3 GLN A 344 -12.837 1.377 1.386 1.00 1.72 H new ATOM 0 HG2 GLN A 344 -11.487 2.855 -0.090 1.00 1.96 H new ATOM 0 HG3 GLN A 344 -11.719 1.733 -1.417 1.00 1.96 H new ATOM 0 HE21 GLN A 344 -12.750 3.261 -2.715 1.00 3.10 H new ATOM 0 HE22 GLN A 344 -14.391 3.824 -2.382 1.00 3.10 H new ATOM 481 N ASN A 345 -10.798 -0.223 3.196 1.00 2.06 N ATOM 482 CA ASN A 345 -10.854 -1.025 4.400 1.00 2.81 C ATOM 483 C ASN A 345 -12.175 -0.746 5.105 1.00 3.10 C ATOM 484 O ASN A 345 -12.342 -0.950 6.309 1.00 3.64 O ATOM 485 CB ASN A 345 -9.655 -0.666 5.277 1.00 3.55 C ATOM 486 CG ASN A 345 -9.573 -1.461 6.574 1.00 4.38 C ATOM 487 OD1 ASN A 345 -9.996 -2.718 6.541 1.00 4.89 O flip ATOM 488 ND2 ASN A 345 -9.115 -0.954 7.597 1.00 4.81 N flip ATOM 0 H ASN A 345 -10.395 0.704 3.335 1.00 2.06 H new ATOM 0 HA ASN A 345 -10.806 -2.090 4.175 1.00 2.81 H new ATOM 0 HB2 ASN A 345 -8.740 -0.827 4.707 1.00 3.55 H new ATOM 0 HB3 ASN A 345 -9.699 0.396 5.517 1.00 3.55 H new ATOM 0 HD21 ASN A 345 -8.798 0.016 7.588 1.00 4.81 H new ATOM 0 HD22 ASN A 345 -9.052 -1.503 8.454 1.00 4.81 H new ATOM 495 N GLN A 346 -13.109 -0.266 4.304 1.00 3.07 N ATOM 496 CA GLN A 346 -14.464 0.033 4.743 1.00 3.79 C ATOM 497 C GLN A 346 -15.110 -1.219 5.320 1.00 3.92 C ATOM 498 O GLN A 346 -15.892 -1.140 6.266 1.00 4.60 O ATOM 499 CB GLN A 346 -15.282 0.543 3.553 1.00 4.24 C ATOM 500 CG GLN A 346 -16.690 0.992 3.907 1.00 4.90 C ATOM 501 CD GLN A 346 -17.474 1.434 2.689 1.00 5.50 C ATOM 502 OE1 GLN A 346 -18.182 0.641 2.061 1.00 6.02 O ATOM 503 NE2 GLN A 346 -17.329 2.698 2.331 1.00 5.81 N ATOM 0 H GLN A 346 -12.947 -0.069 3.316 1.00 3.07 H new ATOM 0 HA GLN A 346 -14.434 0.801 5.516 1.00 3.79 H new ATOM 0 HB2 GLN A 346 -14.752 1.378 3.094 1.00 4.24 H new ATOM 0 HB3 GLN A 346 -15.343 -0.247 2.804 1.00 4.24 H new ATOM 0 HG2 GLN A 346 -17.217 0.175 4.399 1.00 4.90 H new ATOM 0 HG3 GLN A 346 -16.638 1.814 4.621 1.00 4.90 H new ATOM 0 HE21 GLN A 346 -16.734 3.318 2.880 1.00 5.81 H new ATOM 0 HE22 GLN A 346 -17.813 3.053 1.506 1.00 5.81 H new ATOM 512 N SER A 347 -14.752 -2.367 4.748 1.00 3.53 N ATOM 513 CA SER A 347 -15.202 -3.666 5.246 1.00 4.14 C ATOM 514 C SER A 347 -16.722 -3.718 5.386 1.00 4.67 C ATOM 515 O SER A 347 -17.260 -3.690 6.497 1.00 5.05 O ATOM 516 CB SER A 347 -14.532 -3.962 6.590 1.00 4.47 C ATOM 517 OG SER A 347 -13.131 -3.743 6.511 1.00 4.68 O ATOM 0 H SER A 347 -14.145 -2.424 3.930 1.00 3.53 H new ATOM 0 HA SER A 347 -14.914 -4.428 4.521 1.00 4.14 H new ATOM 0 HB2 SER A 347 -14.962 -3.326 7.364 1.00 4.47 H new ATOM 0 HB3 SER A 347 -14.728 -4.994 6.880 1.00 4.47 H new ATOM 0 HG SER A 347 -12.951 -2.780 6.492 1.00 4.68 H new ATOM 523 N GLY A 348 -17.406 -3.780 4.249 1.00 5.14 N ATOM 524 CA GLY A 348 -18.858 -3.834 4.253 1.00 6.09 C ATOM 525 C GLY A 348 -19.397 -5.056 4.982 1.00 6.66 C ATOM 526 O GLY A 348 -20.207 -4.915 5.901 1.00 7.18 O ATOM 0 H GLY A 348 -16.981 -3.794 3.322 1.00 5.14 H new ATOM 0 HA2 GLY A 348 -19.250 -2.933 4.724 1.00 6.09 H new ATOM 0 HA3 GLY A 348 -19.220 -3.840 3.225 1.00 6.09 H new ATOM 530 N PRO A 349 -18.972 -6.274 4.601 1.00 6.87 N ATOM 531 CA PRO A 349 -19.342 -7.493 5.317 1.00 7.59 C ATOM 532 C PRO A 349 -18.593 -7.615 6.640 1.00 7.24 C ATOM 533 O PRO A 349 -17.372 -7.753 6.662 1.00 6.93 O ATOM 534 CB PRO A 349 -18.931 -8.631 4.368 1.00 8.09 C ATOM 535 CG PRO A 349 -18.535 -7.975 3.086 1.00 7.65 C ATOM 536 CD PRO A 349 -18.129 -6.574 3.436 1.00 6.81 C ATOM 0 HA PRO A 349 -20.403 -7.508 5.568 1.00 7.59 H new ATOM 0 HB2 PRO A 349 -18.104 -9.206 4.784 1.00 8.09 H new ATOM 0 HB3 PRO A 349 -19.756 -9.326 4.212 1.00 8.09 H new ATOM 0 HG2 PRO A 349 -17.712 -8.511 2.613 1.00 7.65 H new ATOM 0 HG3 PRO A 349 -19.364 -7.974 2.378 1.00 7.65 H new ATOM 0 HD2 PRO A 349 -17.068 -6.508 3.677 1.00 6.81 H new ATOM 0 HD3 PRO A 349 -18.313 -5.882 2.614 1.00 6.81 H new ATOM 544 N SER A 350 -19.327 -7.537 7.738 1.00 7.62 N ATOM 545 CA SER A 350 -18.737 -7.689 9.058 1.00 7.69 C ATOM 546 C SER A 350 -18.708 -9.165 9.438 1.00 8.06 C ATOM 547 O SER A 350 -17.821 -9.625 10.160 1.00 8.21 O ATOM 548 CB SER A 350 -19.530 -6.880 10.092 1.00 8.35 C ATOM 549 OG SER A 350 -18.898 -6.889 11.362 1.00 8.86 O ATOM 0 H SER A 350 -20.333 -7.369 7.741 1.00 7.62 H new ATOM 0 HA SER A 350 -17.716 -7.309 9.041 1.00 7.69 H new ATOM 0 HB2 SER A 350 -19.636 -5.852 9.746 1.00 8.35 H new ATOM 0 HB3 SER A 350 -20.535 -7.291 10.183 1.00 8.35 H new ATOM 0 HG SER A 350 -19.429 -6.363 11.996 1.00 8.86 H new ATOM 555 N GLY A 351 -19.686 -9.907 8.933 1.00 8.46 N ATOM 556 CA GLY A 351 -19.766 -11.325 9.207 1.00 9.04 C ATOM 557 C GLY A 351 -20.540 -11.611 10.474 1.00 9.55 C ATOM 558 O GLY A 351 -21.699 -12.023 10.424 1.00 10.03 O ATOM 0 H GLY A 351 -20.429 -9.547 8.335 1.00 8.46 H new ATOM 0 HA2 GLY A 351 -20.244 -11.831 8.368 1.00 9.04 H new ATOM 0 HA3 GLY A 351 -18.760 -11.735 9.296 1.00 9.04 H new ATOM 562 N ASN A 352 -19.904 -11.374 11.612 1.00 9.68 N ATOM 563 CA ASN A 352 -20.532 -11.609 12.905 1.00 10.39 C ATOM 564 C ASN A 352 -19.962 -10.660 13.953 1.00 10.64 C ATOM 565 O ASN A 352 -20.702 -9.925 14.608 1.00 11.07 O ATOM 566 CB ASN A 352 -20.317 -13.057 13.348 1.00 10.83 C ATOM 567 CG ASN A 352 -21.073 -13.406 14.619 1.00 10.91 C ATOM 568 OD1 ASN A 352 -22.176 -12.910 14.859 1.00 11.08 O ATOM 569 ND2 ASN A 352 -20.481 -14.256 15.440 1.00 11.02 N ATOM 0 H ASN A 352 -18.950 -11.018 11.667 1.00 9.68 H new ATOM 0 HA ASN A 352 -21.602 -11.425 12.804 1.00 10.39 H new ATOM 0 HB2 ASN A 352 -20.633 -13.727 12.548 1.00 10.83 H new ATOM 0 HB3 ASN A 352 -19.252 -13.229 13.506 1.00 10.83 H new ATOM 0 HD21 ASN A 352 -20.938 -14.525 16.311 1.00 11.02 H new ATOM 0 HD22 ASN A 352 -19.568 -14.643 15.202 1.00 11.02 H new ATOM 576 N ASN A 353 -18.643 -10.673 14.102 1.00 10.57 N ATOM 577 CA ASN A 353 -17.976 -9.828 15.085 1.00 11.04 C ATOM 578 C ASN A 353 -16.527 -9.600 14.675 1.00 11.52 C ATOM 579 O ASN A 353 -15.817 -10.549 14.340 1.00 11.95 O ATOM 580 CB ASN A 353 -18.045 -10.474 16.475 1.00 11.31 C ATOM 581 CG ASN A 353 -17.445 -9.601 17.563 1.00 11.74 C ATOM 582 OD1 ASN A 353 -17.399 -8.378 17.442 1.00 11.95 O ATOM 583 ND2 ASN A 353 -16.994 -10.224 18.642 1.00 12.07 N ATOM 0 H ASN A 353 -18.014 -11.260 13.554 1.00 10.57 H new ATOM 0 HA ASN A 353 -18.484 -8.865 15.128 1.00 11.04 H new ATOM 0 HB2 ASN A 353 -19.086 -10.687 16.720 1.00 11.31 H new ATOM 0 HB3 ASN A 353 -17.521 -11.429 16.452 1.00 11.31 H new ATOM 0 HD21 ASN A 353 -16.591 -9.687 19.410 1.00 12.07 H new ATOM 0 HD22 ASN A 353 -17.050 -11.241 18.705 1.00 12.07 H new ATOM 590 N GLN A 354 -16.091 -8.347 14.690 1.00 11.62 N ATOM 591 CA GLN A 354 -14.746 -7.997 14.251 1.00 12.24 C ATOM 592 C GLN A 354 -14.018 -7.183 15.317 1.00 12.69 C ATOM 593 O GLN A 354 -14.152 -5.959 15.378 1.00 12.83 O ATOM 594 CB GLN A 354 -14.799 -7.209 12.936 1.00 12.40 C ATOM 595 CG GLN A 354 -15.291 -8.023 11.751 1.00 12.50 C ATOM 596 CD GLN A 354 -15.425 -7.193 10.488 1.00 12.74 C ATOM 597 OE1 GLN A 354 -15.714 -6.000 10.545 1.00 13.09 O ATOM 598 NE2 GLN A 354 -15.215 -7.817 9.341 1.00 12.76 N ATOM 0 H GLN A 354 -16.651 -7.554 15.002 1.00 11.62 H new ATOM 0 HA GLN A 354 -14.195 -8.923 14.088 1.00 12.24 H new ATOM 0 HB2 GLN A 354 -15.451 -6.345 13.067 1.00 12.40 H new ATOM 0 HB3 GLN A 354 -13.803 -6.826 12.713 1.00 12.40 H new ATOM 0 HG2 GLN A 354 -14.600 -8.846 11.569 1.00 12.50 H new ATOM 0 HG3 GLN A 354 -16.257 -8.465 11.995 1.00 12.50 H new ATOM 0 HE21 GLN A 354 -14.977 -8.809 9.336 1.00 12.76 H new ATOM 0 HE22 GLN A 354 -15.291 -7.306 8.461 1.00 12.76 H new ATOM 607 N ASN A 355 -13.262 -7.869 16.166 1.00 13.09 N ATOM 608 CA ASN A 355 -12.448 -7.191 17.171 1.00 13.71 C ATOM 609 C ASN A 355 -11.036 -7.013 16.639 1.00 14.13 C ATOM 610 O ASN A 355 -10.665 -5.942 16.166 1.00 14.46 O ATOM 611 CB ASN A 355 -12.396 -7.980 18.486 1.00 14.16 C ATOM 612 CG ASN A 355 -13.738 -8.548 18.897 1.00 14.18 C ATOM 613 OD1 ASN A 355 -13.977 -9.803 18.548 1.00 14.03 O flip ATOM 614 ND2 ASN A 355 -14.540 -7.875 19.540 1.00 14.53 N flip ATOM 0 H ASN A 355 -13.195 -8.887 16.180 1.00 13.09 H new ATOM 0 HA ASN A 355 -12.904 -6.222 17.375 1.00 13.71 H new ATOM 0 HB2 ASN A 355 -11.680 -8.795 18.384 1.00 14.16 H new ATOM 0 HB3 ASN A 355 -12.027 -7.329 19.278 1.00 14.16 H new ATOM 0 HD21 ASN A 355 -14.314 -6.911 19.787 1.00 14.53 H new ATOM 0 HD22 ASN A 355 -15.431 -8.280 19.826 1.00 14.53 H new ATOM 621 N GLN A 356 -10.264 -8.086 16.702 1.00 14.28 N ATOM 622 CA GLN A 356 -8.918 -8.102 16.153 1.00 14.82 C ATOM 623 C GLN A 356 -8.877 -8.982 14.915 1.00 15.14 C ATOM 624 O GLN A 356 -7.881 -9.013 14.189 1.00 15.47 O ATOM 625 CB GLN A 356 -7.915 -8.611 17.185 1.00 15.22 C ATOM 626 CG GLN A 356 -7.692 -7.669 18.355 1.00 15.23 C ATOM 627 CD GLN A 356 -6.643 -8.186 19.315 1.00 15.68 C ATOM 628 OE1 GLN A 356 -6.481 -9.396 19.491 1.00 15.74 O ATOM 629 NE2 GLN A 356 -5.909 -7.275 19.927 1.00 16.15 N ATOM 0 H GLN A 356 -10.551 -8.965 17.132 1.00 14.28 H new ATOM 0 HA GLN A 356 -8.644 -7.082 15.883 1.00 14.82 H new ATOM 0 HB2 GLN A 356 -8.260 -9.572 17.567 1.00 15.22 H new ATOM 0 HB3 GLN A 356 -6.960 -8.789 16.690 1.00 15.22 H new ATOM 0 HG2 GLN A 356 -7.388 -6.692 17.979 1.00 15.23 H new ATOM 0 HG3 GLN A 356 -8.632 -7.527 18.889 1.00 15.23 H new ATOM 0 HE21 GLN A 356 -6.076 -6.284 19.753 1.00 16.15 H new ATOM 0 HE22 GLN A 356 -5.175 -7.562 20.574 1.00 16.15 H new ATOM 638 N GLY A 357 -9.964 -9.707 14.685 1.00 15.18 N ATOM 639 CA GLY A 357 -10.071 -10.537 13.507 1.00 15.65 C ATOM 640 C GLY A 357 -10.465 -9.732 12.290 1.00 15.86 C ATOM 641 O GLY A 357 -11.621 -9.763 11.867 1.00 15.64 O ATOM 0 H GLY A 357 -10.777 -9.733 15.300 1.00 15.18 H new ATOM 0 HA2 GLY A 357 -9.118 -11.032 13.323 1.00 15.65 H new ATOM 0 HA3 GLY A 357 -10.809 -11.320 13.680 1.00 15.65 H new ATOM 645 N ASN A 358 -9.506 -8.999 11.738 1.00 16.44 N ATOM 646 CA ASN A 358 -9.755 -8.156 10.576 1.00 16.86 C ATOM 647 C ASN A 358 -10.024 -9.019 9.352 1.00 17.18 C ATOM 648 O ASN A 358 -11.166 -9.179 8.931 1.00 17.48 O ATOM 649 CB ASN A 358 -8.566 -7.224 10.307 1.00 17.22 C ATOM 650 CG ASN A 358 -8.262 -6.297 11.469 1.00 17.53 C ATOM 651 OD1 ASN A 358 -8.823 -5.207 11.572 1.00 17.56 O ATOM 652 ND2 ASN A 358 -7.363 -6.716 12.348 1.00 17.90 N ATOM 0 H ASN A 358 -8.545 -8.972 12.078 1.00 16.44 H new ATOM 0 HA ASN A 358 -10.632 -7.542 10.784 1.00 16.86 H new ATOM 0 HB2 ASN A 358 -7.683 -7.825 10.089 1.00 17.22 H new ATOM 0 HB3 ASN A 358 -8.773 -6.627 9.419 1.00 17.22 H new ATOM 0 HD21 ASN A 358 -7.115 -6.128 13.144 1.00 17.90 H new ATOM 0 HD22 ASN A 358 -6.919 -7.627 12.229 1.00 17.90 H new ATOM 659 N MET A 359 -8.963 -9.582 8.795 1.00 17.25 N ATOM 660 CA MET A 359 -9.083 -10.497 7.666 1.00 17.69 C ATOM 661 C MET A 359 -8.597 -11.880 8.077 1.00 18.15 C ATOM 662 O MET A 359 -8.720 -12.848 7.326 1.00 18.48 O ATOM 663 CB MET A 359 -8.274 -9.995 6.464 1.00 17.88 C ATOM 664 CG MET A 359 -8.756 -8.665 5.900 1.00 17.66 C ATOM 665 SD MET A 359 -10.470 -8.728 5.343 1.00 17.52 S ATOM 666 CE MET A 359 -10.688 -7.057 4.732 1.00 17.09 C ATOM 0 H MET A 359 -8.005 -9.422 9.106 1.00 17.25 H new ATOM 0 HA MET A 359 -10.131 -10.549 7.372 1.00 17.69 H new ATOM 0 HB2 MET A 359 -7.230 -9.895 6.759 1.00 17.88 H new ATOM 0 HB3 MET A 359 -8.312 -10.747 5.675 1.00 17.88 H new ATOM 0 HG2 MET A 359 -8.654 -7.893 6.663 1.00 17.66 H new ATOM 0 HG3 MET A 359 -8.117 -8.376 5.066 1.00 17.66 H new ATOM 0 HE1 MET A 359 -11.703 -6.938 4.352 1.00 17.09 H new ATOM 0 HE2 MET A 359 -10.519 -6.348 5.543 1.00 17.09 H new ATOM 0 HE3 MET A 359 -9.975 -6.867 3.929 1.00 17.09 H new ATOM 676 N GLN A 360 -8.055 -11.956 9.287 1.00 18.31 N ATOM 677 CA GLN A 360 -7.496 -13.187 9.817 1.00 18.89 C ATOM 678 C GLN A 360 -7.285 -13.019 11.315 1.00 19.30 C ATOM 679 O GLN A 360 -6.798 -13.960 11.972 1.00 19.39 O ATOM 680 CB GLN A 360 -6.165 -13.518 9.128 1.00 19.26 C ATOM 681 CG GLN A 360 -5.058 -12.526 9.438 1.00 19.39 C ATOM 682 CD GLN A 360 -3.804 -12.763 8.625 1.00 19.60 C ATOM 683 OE1 GLN A 360 -3.500 -13.890 8.227 1.00 19.85 O ATOM 684 NE2 GLN A 360 -3.061 -11.699 8.383 1.00 19.63 N ATOM 685 OXT GLN A 360 -7.598 -11.921 11.824 1.00 19.65 O ATOM 0 H GLN A 360 -7.992 -11.164 9.926 1.00 18.31 H new ATOM 0 HA GLN A 360 -8.185 -14.011 9.628 1.00 18.89 H new ATOM 0 HB2 GLN A 360 -5.845 -14.514 9.433 1.00 19.26 H new ATOM 0 HB3 GLN A 360 -6.322 -13.550 8.050 1.00 19.26 H new ATOM 0 HG2 GLN A 360 -5.421 -11.515 9.249 1.00 19.39 H new ATOM 0 HG3 GLN A 360 -4.813 -12.584 10.498 1.00 19.39 H new ATOM 0 HE21 GLN A 360 -3.350 -10.785 8.731 1.00 19.63 H new ATOM 0 HE22 GLN A 360 -2.198 -11.791 7.848 1.00 19.63 H new TER 694 GLN A 360