USER MOD reduce.3.24.130724 H: found=0, std=0, add=637, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 640 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 454 THR OG1 : rot -58:sc= 0.0091 USER MOD Set 1.2: A 476 THR OG1 : rot 180:sc= 0.00826 USER MOD Set 2.1: A 450 THR OG1 : rot 137:sc= 0.5 USER MOD Set 2.2: A 455 TYR OH : rot 71:sc= 1.48 USER MOD Set 3.1: A 416 THR OG1 : rot 155:sc= 1.12 USER MOD Set 3.2: A 419 TYR OH : rot 180:sc= 0.0152 USER MOD Set 4.1: A 407 THR OG1 : rot 180:sc= 1.11 USER MOD Set 4.2: A 445 THR OG1 : rot -53:sc= 1.2 USER MOD Set 5.1: A 398 THR OG1 : rot 180:sc= 0 USER MOD Set 5.2: A 400 GLN :FLIP amide:sc= -1.11 F(o=-3.5!,f=-1.1) USER MOD Single : A 395 ASN : amide:sc= 0 K(o=0,f=-0.52) USER MOD Single : A 397 SER OG : rot 180:sc= 0.00756 USER MOD Single : A 404 SER OG : rot 170:sc=-0.000125 USER MOD Single : A 405 GLN : amide:sc= -0.371 K(o=-0.37,f=-1.9!) USER MOD Single : A 406 THR OG1 : rot -179:sc= -0.535 USER MOD Single : A 409 SER OG : rot 180:sc= 0 USER MOD Single : A 414 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 417 SER OG : rot 180:sc= 0 USER MOD Single : A 422 SER OG : rot 180:sc= 0 USER MOD Single : A 423 CYS SG : rot -101:sc= -7.24! USER MOD Single : A 424 HIS :FLIP no HD1:sc= -0.096 F(o=-0.72,f=-0.096) USER MOD Single : A 428 THR OG1 : rot 179:sc= 0.243 USER MOD Single : A 434 GLN : amide:sc= -0.059 K(o=-0.059,f=-3.5!) USER MOD Single : A 440 THR OG1 : rot 180:sc= 0.00796 USER MOD Single : A 441 SER OG : rot -170:sc= -0.192 USER MOD Single : A 442 THR OG1 : rot 180:sc= 0 USER MOD Single : A 443 SER OG : rot 180:sc= -0.204 USER MOD Single : A 447 THR OG1 : rot 180:sc= -1.61! USER MOD Single : A 456 ASN : amide:sc= -0.367 K(o=-0.37,f=-3.9!) USER MOD Single : A 463 LYS NZ :NH3+ -140:sc= 1.31 (180deg=-0.552) USER MOD Single : A 465 GLN : amide:sc= -0.0168 K(o=-0.017,f=-1.1) USER MOD Single : A 466 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 468 HIS : no HD1:sc= -0.0306 X(o=-0.031,f=-0.013) USER MOD Single : A 469 LYS NZ :NH3+ -110:sc= 0.88 (180deg=-0.693) USER MOD Single : A 479 ASN : amide:sc= 0.196 X(o=0.2,f=0) USER MOD Single : A 480 SER OG : rot 43:sc= 0.714 USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 395 13.479 17.287 0.245 1.00 7.64 N ATOM 2 CA ASN A 395 12.973 16.565 1.432 1.00 7.05 C ATOM 3 C ASN A 395 12.702 15.098 1.087 1.00 6.89 C ATOM 4 O ASN A 395 11.920 14.804 0.179 1.00 7.24 O ATOM 5 CB ASN A 395 11.698 17.233 1.944 1.00 7.73 C ATOM 6 CG ASN A 395 11.056 16.488 3.099 1.00 8.25 C ATOM 7 OD1 ASN A 395 11.734 15.839 3.895 1.00 8.44 O ATOM 8 ND2 ASN A 395 9.738 16.578 3.202 1.00 8.76 N ATOM 0 HA ASN A 395 13.730 16.602 2.216 1.00 7.05 H new ATOM 0 HB2 ASN A 395 11.930 18.250 2.260 1.00 7.73 H new ATOM 0 HB3 ASN A 395 10.982 17.309 1.126 1.00 7.73 H new ATOM 0 HD21 ASN A 395 9.252 16.100 3.961 1.00 8.76 H new ATOM 0 HD22 ASN A 395 9.210 17.126 2.523 1.00 8.76 H new ATOM 17 N ALA A 396 13.321 14.199 1.860 1.00 6.67 N ATOM 18 CA ALA A 396 13.408 12.753 1.554 1.00 6.81 C ATOM 19 C ALA A 396 14.640 12.235 2.264 1.00 6.05 C ATOM 20 O ALA A 396 14.580 11.315 3.081 1.00 6.42 O ATOM 21 CB ALA A 396 13.544 12.486 0.056 1.00 7.55 C ATOM 0 H ALA A 396 13.786 14.452 2.732 1.00 6.67 H new ATOM 0 HA ALA A 396 12.495 12.256 1.883 1.00 6.81 H new ATOM 0 HB1 ALA A 396 13.604 11.412 -0.118 1.00 7.55 H new ATOM 0 HB2 ALA A 396 12.677 12.890 -0.466 1.00 7.55 H new ATOM 0 HB3 ALA A 396 14.448 12.965 -0.318 1.00 7.55 H new ATOM 27 N SER A 397 15.753 12.885 1.950 1.00 5.23 N ATOM 28 CA SER A 397 17.001 12.722 2.684 1.00 4.72 C ATOM 29 C SER A 397 16.761 13.014 4.195 1.00 4.61 C ATOM 30 O SER A 397 16.594 14.180 4.551 1.00 4.53 O ATOM 31 CB SER A 397 17.975 13.772 2.106 1.00 4.27 C ATOM 32 OG SER A 397 18.089 13.611 0.700 1.00 4.45 O ATOM 0 H SER A 397 15.816 13.544 1.174 1.00 5.23 H new ATOM 0 HA SER A 397 17.394 11.710 2.589 1.00 4.72 H new ATOM 0 HB2 SER A 397 17.619 14.776 2.337 1.00 4.27 H new ATOM 0 HB3 SER A 397 18.954 13.666 2.572 1.00 4.27 H new ATOM 0 HG SER A 397 18.707 14.282 0.343 1.00 4.45 H new ATOM 38 N THR A 398 16.723 11.994 5.096 1.00 5.02 N ATOM 39 CA THR A 398 16.506 12.282 6.540 1.00 5.32 C ATOM 40 C THR A 398 17.239 11.251 7.403 1.00 5.50 C ATOM 41 O THR A 398 16.669 10.691 8.340 1.00 6.31 O ATOM 42 CB THR A 398 14.996 12.267 6.920 1.00 6.23 C ATOM 43 OG1 THR A 398 14.323 11.217 6.211 1.00 6.75 O ATOM 44 CG2 THR A 398 14.301 13.608 6.639 1.00 6.37 C ATOM 0 H THR A 398 16.834 11.007 4.863 1.00 5.02 H new ATOM 0 HA THR A 398 16.900 13.281 6.725 1.00 5.32 H new ATOM 0 HB THR A 398 14.940 12.091 7.994 1.00 6.23 H new ATOM 0 HG1 THR A 398 13.374 11.213 6.456 1.00 6.75 H new ATOM 0 HG21 THR A 398 13.251 13.540 6.923 1.00 6.37 H new ATOM 0 HG22 THR A 398 14.783 14.396 7.218 1.00 6.37 H new ATOM 0 HG23 THR A 398 14.375 13.841 5.577 1.00 6.37 H new ATOM 52 N GLY A 399 18.503 10.989 7.075 1.00 4.93 N ATOM 53 CA GLY A 399 19.241 9.936 7.758 1.00 5.31 C ATOM 54 C GLY A 399 19.434 8.779 6.814 1.00 4.62 C ATOM 55 O GLY A 399 20.560 8.347 6.555 1.00 4.48 O ATOM 0 H GLY A 399 19.027 11.483 6.353 1.00 4.93 H new ATOM 0 HA2 GLY A 399 20.207 10.312 8.095 1.00 5.31 H new ATOM 0 HA3 GLY A 399 18.698 9.611 8.645 1.00 5.31 H new ATOM 59 N GLN A 400 18.323 8.301 6.266 1.00 4.32 N ATOM 60 CA GLN A 400 18.367 7.360 5.166 1.00 3.59 C ATOM 61 C GLN A 400 18.695 8.103 3.912 1.00 2.81 C ATOM 62 O GLN A 400 17.910 8.898 3.445 1.00 2.93 O ATOM 63 CB GLN A 400 17.050 6.589 4.976 1.00 3.81 C ATOM 64 CG GLN A 400 16.567 5.863 6.221 1.00 4.51 C ATOM 65 CD GLN A 400 15.903 6.793 7.222 1.00 4.68 C ATOM 66 OE1 GLN A 400 15.301 7.875 6.735 1.00 5.27 O flip ATOM 67 NE2 GLN A 400 15.934 6.553 8.426 1.00 4.54 N flip ATOM 0 H GLN A 400 17.382 8.553 6.570 1.00 4.32 H new ATOM 0 HA GLN A 400 19.132 6.620 5.399 1.00 3.59 H new ATOM 0 HB2 GLN A 400 16.277 7.287 4.653 1.00 3.81 H new ATOM 0 HB3 GLN A 400 17.180 5.863 4.173 1.00 3.81 H new ATOM 0 HG2 GLN A 400 15.862 5.084 5.932 1.00 4.51 H new ATOM 0 HG3 GLN A 400 17.412 5.366 6.698 1.00 4.51 H new ATOM 0 HE21 GLN A 400 16.404 5.714 8.767 1.00 4.54 H new ATOM 0 HE22 GLN A 400 15.490 7.192 9.085 1.00 4.54 H new ATOM 76 N GLU A 401 19.920 7.973 3.476 1.00 2.28 N ATOM 77 CA GLU A 401 20.237 8.227 2.088 1.00 1.62 C ATOM 78 C GLU A 401 20.417 6.948 1.298 1.00 1.37 C ATOM 79 O GLU A 401 20.901 6.959 0.170 1.00 1.38 O ATOM 80 CB GLU A 401 21.405 9.170 1.921 1.00 1.30 C ATOM 81 CG GLU A 401 22.451 9.017 2.992 1.00 1.92 C ATOM 82 CD GLU A 401 23.636 9.931 2.778 1.00 2.22 C ATOM 83 OE1 GLU A 401 23.663 11.021 3.380 1.00 2.91 O ATOM 84 OE2 GLU A 401 24.548 9.567 2.006 1.00 2.28 O ATOM 0 H GLU A 401 20.713 7.695 4.054 1.00 2.28 H new ATOM 0 HA GLU A 401 19.371 8.737 1.667 1.00 1.62 H new ATOM 0 HB2 GLU A 401 21.864 9.000 0.947 1.00 1.30 H new ATOM 0 HB3 GLU A 401 21.038 10.196 1.925 1.00 1.30 H new ATOM 0 HG2 GLU A 401 22.005 9.227 3.964 1.00 1.92 H new ATOM 0 HG3 GLU A 401 22.794 7.983 3.016 1.00 1.92 H new ATOM 91 N ALA A 402 20.015 5.850 1.898 1.00 1.24 N ATOM 92 CA ALA A 402 20.066 4.566 1.246 1.00 1.04 C ATOM 93 C ALA A 402 18.674 4.190 0.836 1.00 0.82 C ATOM 94 O ALA A 402 18.279 3.026 0.764 1.00 0.79 O ATOM 95 CB ALA A 402 20.662 3.544 2.178 1.00 1.18 C ATOM 0 H ALA A 402 19.645 5.824 2.848 1.00 1.24 H new ATOM 0 HA ALA A 402 20.698 4.609 0.359 1.00 1.04 H new ATOM 0 HB1 ALA A 402 20.698 2.575 1.680 1.00 1.18 H new ATOM 0 HB2 ALA A 402 21.672 3.848 2.454 1.00 1.18 H new ATOM 0 HB3 ALA A 402 20.048 3.468 3.075 1.00 1.18 H new ATOM 101 N LEU A 403 17.958 5.236 0.568 1.00 0.75 N ATOM 102 CA LEU A 403 16.548 5.190 0.340 1.00 0.58 C ATOM 103 C LEU A 403 16.177 5.009 -1.123 1.00 0.57 C ATOM 104 O LEU A 403 16.906 5.407 -2.034 1.00 0.90 O ATOM 105 CB LEU A 403 15.904 6.430 0.936 1.00 0.59 C ATOM 106 CG LEU A 403 16.702 7.718 0.826 1.00 0.79 C ATOM 107 CD1 LEU A 403 16.860 8.083 -0.631 1.00 1.70 C ATOM 108 CD2 LEU A 403 15.959 8.805 1.570 1.00 1.52 C ATOM 0 H LEU A 403 18.351 6.175 0.500 1.00 0.75 H new ATOM 0 HA LEU A 403 16.160 4.302 0.840 1.00 0.58 H new ATOM 0 HB2 LEU A 403 14.940 6.582 0.451 1.00 0.59 H new ATOM 0 HB3 LEU A 403 15.704 6.239 1.990 1.00 0.59 H new ATOM 0 HG LEU A 403 17.694 7.596 1.261 1.00 0.79 H new ATOM 0 HD11 LEU A 403 17.432 9.007 -0.715 1.00 1.70 H new ATOM 0 HD12 LEU A 403 17.385 7.282 -1.152 1.00 1.70 H new ATOM 0 HD13 LEU A 403 15.877 8.223 -1.080 1.00 1.70 H new ATOM 0 HD21 LEU A 403 16.517 9.739 1.502 1.00 1.52 H new ATOM 0 HD22 LEU A 403 14.972 8.939 1.128 1.00 1.52 H new ATOM 0 HD23 LEU A 403 15.852 8.521 2.617 1.00 1.52 H new ATOM 120 N SER A 404 15.049 4.364 -1.322 1.00 0.30 N ATOM 121 CA SER A 404 14.466 4.209 -2.631 1.00 0.27 C ATOM 122 C SER A 404 13.014 4.683 -2.608 1.00 0.28 C ATOM 123 O SER A 404 12.409 4.796 -1.535 1.00 0.43 O ATOM 124 CB SER A 404 14.553 2.742 -3.035 1.00 0.28 C ATOM 125 OG SER A 404 13.969 2.514 -4.301 1.00 1.04 O ATOM 0 H SER A 404 14.509 3.930 -0.573 1.00 0.30 H new ATOM 0 HA SER A 404 15.007 4.812 -3.360 1.00 0.27 H new ATOM 0 HB2 SER A 404 15.598 2.431 -3.055 1.00 0.28 H new ATOM 0 HB3 SER A 404 14.052 2.128 -2.287 1.00 0.28 H new ATOM 0 HG SER A 404 14.182 1.606 -4.601 1.00 1.04 H new ATOM 131 N GLN A 405 12.464 4.984 -3.780 1.00 0.26 N ATOM 132 CA GLN A 405 11.074 5.399 -3.886 1.00 0.26 C ATOM 133 C GLN A 405 10.300 4.384 -4.714 1.00 0.27 C ATOM 134 O GLN A 405 10.552 4.235 -5.911 1.00 0.43 O ATOM 135 CB GLN A 405 10.946 6.768 -4.563 1.00 0.30 C ATOM 136 CG GLN A 405 12.043 7.759 -4.220 1.00 0.33 C ATOM 137 CD GLN A 405 12.644 8.384 -5.469 1.00 0.58 C ATOM 138 OE1 GLN A 405 12.636 7.772 -6.538 1.00 0.99 O ATOM 139 NE2 GLN A 405 13.178 9.594 -5.357 1.00 0.91 N ATOM 0 H GLN A 405 12.962 4.948 -4.669 1.00 0.26 H new ATOM 0 HA GLN A 405 10.672 5.465 -2.875 1.00 0.26 H new ATOM 0 HB2 GLN A 405 10.934 6.622 -5.643 1.00 0.30 H new ATOM 0 HB3 GLN A 405 9.985 7.204 -4.289 1.00 0.30 H new ATOM 0 HG2 GLN A 405 11.639 8.542 -3.579 1.00 0.33 H new ATOM 0 HG3 GLN A 405 12.825 7.255 -3.652 1.00 0.33 H new ATOM 0 HE21 GLN A 405 13.169 10.074 -4.457 1.00 0.91 H new ATOM 0 HE22 GLN A 405 13.598 10.044 -6.171 1.00 0.91 H new ATOM 148 N THR A 406 9.380 3.674 -4.090 1.00 0.18 N ATOM 149 CA THR A 406 8.527 2.764 -4.814 1.00 0.19 C ATOM 150 C THR A 406 7.167 3.377 -5.022 1.00 0.17 C ATOM 151 O THR A 406 6.307 3.362 -4.143 1.00 0.16 O ATOM 152 CB THR A 406 8.373 1.427 -4.072 1.00 0.21 C ATOM 153 OG1 THR A 406 9.665 0.897 -3.746 1.00 0.27 O ATOM 154 CG2 THR A 406 7.614 0.431 -4.915 1.00 0.29 C ATOM 0 H THR A 406 9.208 3.713 -3.085 1.00 0.18 H new ATOM 0 HA THR A 406 8.996 2.573 -5.779 1.00 0.19 H new ATOM 0 HB THR A 406 7.812 1.607 -3.155 1.00 0.21 H new ATOM 0 HG1 THR A 406 9.560 0.038 -3.286 1.00 0.27 H new ATOM 0 HG21 THR A 406 7.517 -0.508 -4.370 1.00 0.29 H new ATOM 0 HG22 THR A 406 6.623 0.825 -5.139 1.00 0.29 H new ATOM 0 HG23 THR A 406 8.154 0.256 -5.846 1.00 0.29 H new ATOM 162 N THR A 407 6.994 3.931 -6.190 1.00 0.19 N ATOM 163 CA THR A 407 5.719 4.420 -6.611 1.00 0.19 C ATOM 164 C THR A 407 4.859 3.244 -7.039 1.00 0.19 C ATOM 165 O THR A 407 5.137 2.581 -8.041 1.00 0.26 O ATOM 166 CB THR A 407 5.903 5.419 -7.754 1.00 0.24 C ATOM 167 OG1 THR A 407 6.474 6.635 -7.247 1.00 0.26 O ATOM 168 CG2 THR A 407 4.589 5.714 -8.472 1.00 0.24 C ATOM 0 H THR A 407 7.739 4.055 -6.876 1.00 0.19 H new ATOM 0 HA THR A 407 5.221 4.937 -5.791 1.00 0.19 H new ATOM 0 HB THR A 407 6.578 4.971 -8.483 1.00 0.24 H new ATOM 0 HG1 THR A 407 6.592 7.272 -7.982 1.00 0.26 H new ATOM 0 HG21 THR A 407 4.766 6.428 -9.276 1.00 0.24 H new ATOM 0 HG22 THR A 407 4.187 4.791 -8.889 1.00 0.24 H new ATOM 0 HG23 THR A 407 3.874 6.134 -7.765 1.00 0.24 H new ATOM 176 N ILE A 408 3.831 2.978 -6.266 1.00 0.21 N ATOM 177 CA ILE A 408 2.993 1.813 -6.492 1.00 0.21 C ATOM 178 C ILE A 408 1.563 2.239 -6.684 1.00 0.18 C ATOM 179 O ILE A 408 1.049 3.103 -5.970 1.00 0.16 O ATOM 180 CB ILE A 408 3.113 0.725 -5.368 1.00 0.23 C ATOM 181 CG1 ILE A 408 1.849 -0.140 -5.265 1.00 0.21 C ATOM 182 CG2 ILE A 408 3.397 1.331 -4.007 1.00 0.25 C ATOM 183 CD1 ILE A 408 2.119 -1.568 -4.849 1.00 0.27 C ATOM 0 H ILE A 408 3.551 3.552 -5.471 1.00 0.21 H new ATOM 0 HA ILE A 408 3.356 1.334 -7.402 1.00 0.21 H new ATOM 0 HB ILE A 408 3.956 0.099 -5.661 1.00 0.23 H new ATOM 0 HG12 ILE A 408 1.166 0.315 -4.547 1.00 0.21 H new ATOM 0 HG13 ILE A 408 1.342 -0.142 -6.230 1.00 0.21 H new ATOM 0 HG21 ILE A 408 3.471 0.537 -3.264 1.00 0.25 H new ATOM 0 HG22 ILE A 408 4.336 1.883 -4.043 1.00 0.25 H new ATOM 0 HG23 ILE A 408 2.588 2.009 -3.735 1.00 0.25 H new ATOM 0 HD11 ILE A 408 1.178 -2.116 -4.798 1.00 0.27 H new ATOM 0 HD12 ILE A 408 2.776 -2.041 -5.579 1.00 0.27 H new ATOM 0 HD13 ILE A 408 2.598 -1.577 -3.870 1.00 0.27 H new ATOM 195 N SER A 409 0.946 1.665 -7.690 1.00 0.18 N ATOM 196 CA SER A 409 -0.414 1.986 -8.025 1.00 0.16 C ATOM 197 C SER A 409 -1.329 0.809 -7.758 1.00 0.13 C ATOM 198 O SER A 409 -0.919 -0.350 -7.807 1.00 0.15 O ATOM 199 CB SER A 409 -0.509 2.417 -9.484 1.00 0.21 C ATOM 200 OG SER A 409 0.190 1.516 -10.329 1.00 0.71 O ATOM 0 H SER A 409 1.374 0.965 -8.295 1.00 0.18 H new ATOM 0 HA SER A 409 -0.737 2.814 -7.393 1.00 0.16 H new ATOM 0 HB2 SER A 409 -1.556 2.465 -9.785 1.00 0.21 H new ATOM 0 HB3 SER A 409 -0.098 3.420 -9.598 1.00 0.21 H new ATOM 0 HG SER A 409 0.113 1.813 -11.260 1.00 0.71 H new ATOM 206 N TRP A 410 -2.561 1.126 -7.463 1.00 0.16 N ATOM 207 CA TRP A 410 -3.590 0.130 -7.249 1.00 0.17 C ATOM 208 C TRP A 410 -4.846 0.595 -7.895 1.00 0.18 C ATOM 209 O TRP A 410 -4.981 1.764 -8.268 1.00 0.19 O ATOM 210 CB TRP A 410 -3.831 -0.129 -5.759 1.00 0.16 C ATOM 211 CG TRP A 410 -4.125 1.117 -4.964 1.00 0.14 C ATOM 212 CD1 TRP A 410 -5.347 1.663 -4.640 1.00 0.14 C ATOM 213 CD2 TRP A 410 -3.142 1.978 -4.398 1.00 0.13 C ATOM 214 NE1 TRP A 410 -5.161 2.804 -3.892 1.00 0.13 N ATOM 215 CE2 TRP A 410 -3.816 3.016 -3.734 1.00 0.12 C ATOM 216 CE3 TRP A 410 -1.749 1.959 -4.391 1.00 0.14 C ATOM 217 CZ2 TRP A 410 -3.135 4.033 -3.068 1.00 0.14 C ATOM 218 CZ3 TRP A 410 -1.074 2.959 -3.738 1.00 0.15 C ATOM 219 CH2 TRP A 410 -1.767 3.987 -3.079 1.00 0.14 C ATOM 0 H TRP A 410 -2.887 2.087 -7.362 1.00 0.16 H new ATOM 0 HA TRP A 410 -3.260 -0.810 -7.691 1.00 0.17 H new ATOM 0 HB2 TRP A 410 -4.665 -0.823 -5.651 1.00 0.16 H new ATOM 0 HB3 TRP A 410 -2.953 -0.618 -5.338 1.00 0.16 H new ATOM 0 HD1 TRP A 410 -6.306 1.258 -4.929 1.00 0.14 H new ATOM 0 HE1 TRP A 410 -5.903 3.395 -3.517 1.00 0.13 H new ATOM 0 HE3 TRP A 410 -1.209 1.169 -4.892 1.00 0.14 H new ATOM 0 HZ2 TRP A 410 -3.666 4.826 -2.563 1.00 0.14 H new ATOM 0 HZ3 TRP A 410 0.006 2.955 -3.731 1.00 0.15 H new ATOM 0 HH2 TRP A 410 -1.208 4.758 -2.570 1.00 0.14 H new ATOM 230 N ALA A 411 -5.756 -0.316 -8.040 1.00 0.19 N ATOM 231 CA ALA A 411 -6.968 -0.020 -8.694 1.00 0.22 C ATOM 232 C ALA A 411 -7.973 0.509 -7.712 1.00 0.19 C ATOM 233 O ALA A 411 -8.088 0.019 -6.587 1.00 0.19 O ATOM 234 CB ALA A 411 -7.486 -1.235 -9.404 1.00 0.26 C ATOM 0 H ALA A 411 -5.671 -1.276 -7.707 1.00 0.19 H new ATOM 0 HA ALA A 411 -6.789 0.754 -9.441 1.00 0.22 H new ATOM 0 HB1 ALA A 411 -8.423 -0.992 -9.905 1.00 0.26 H new ATOM 0 HB2 ALA A 411 -6.755 -1.564 -10.142 1.00 0.26 H new ATOM 0 HB3 ALA A 411 -7.657 -2.033 -8.682 1.00 0.26 H new ATOM 240 N PRO A 412 -8.689 1.533 -8.147 1.00 0.20 N ATOM 241 CA PRO A 412 -9.675 2.209 -7.339 1.00 0.19 C ATOM 242 C PRO A 412 -10.628 1.228 -6.707 1.00 0.20 C ATOM 243 O PRO A 412 -11.238 0.403 -7.391 1.00 0.23 O ATOM 244 CB PRO A 412 -10.447 3.079 -8.308 1.00 0.24 C ATOM 245 CG PRO A 412 -9.712 3.056 -9.611 1.00 0.26 C ATOM 246 CD PRO A 412 -8.578 2.080 -9.492 1.00 0.23 C ATOM 0 HA PRO A 412 -9.201 2.771 -6.534 1.00 0.19 H new ATOM 0 HB2 PRO A 412 -11.463 2.706 -8.434 1.00 0.24 H new ATOM 0 HB3 PRO A 412 -10.526 4.098 -7.930 1.00 0.24 H new ATOM 0 HG2 PRO A 412 -10.382 2.764 -10.420 1.00 0.26 H new ATOM 0 HG3 PRO A 412 -9.335 4.050 -9.852 1.00 0.26 H new ATOM 0 HD2 PRO A 412 -8.653 1.295 -10.244 1.00 0.23 H new ATOM 0 HD3 PRO A 412 -7.617 2.572 -9.639 1.00 0.23 H new ATOM 254 N PHE A 413 -10.749 1.320 -5.410 1.00 0.21 N ATOM 255 CA PHE A 413 -11.553 0.389 -4.675 1.00 0.30 C ATOM 256 C PHE A 413 -13.011 0.845 -4.636 1.00 0.51 C ATOM 257 O PHE A 413 -13.823 0.329 -5.405 1.00 1.35 O ATOM 258 CB PHE A 413 -10.954 0.186 -3.280 1.00 0.30 C ATOM 259 CG PHE A 413 -11.786 -0.639 -2.351 1.00 0.37 C ATOM 260 CD1 PHE A 413 -12.284 -0.108 -1.174 1.00 0.36 C ATOM 261 CD2 PHE A 413 -12.077 -1.949 -2.671 1.00 0.51 C ATOM 262 CE1 PHE A 413 -13.056 -0.877 -0.326 1.00 0.45 C ATOM 263 CE2 PHE A 413 -12.847 -2.727 -1.830 1.00 0.61 C ATOM 264 CZ PHE A 413 -13.322 -2.149 -0.599 1.00 0.57 C ATOM 0 H PHE A 413 -10.297 2.035 -4.840 1.00 0.21 H new ATOM 0 HA PHE A 413 -11.551 -0.578 -5.177 1.00 0.30 H new ATOM 0 HB2 PHE A 413 -9.977 -0.286 -3.385 1.00 0.30 H new ATOM 0 HB3 PHE A 413 -10.789 1.163 -2.826 1.00 0.30 H new ATOM 0 HD1 PHE A 413 -12.067 0.918 -0.916 1.00 0.36 H new ATOM 0 HD2 PHE A 413 -11.698 -2.371 -3.590 1.00 0.51 H new ATOM 0 HE1 PHE A 413 -13.451 -0.435 0.577 1.00 0.45 H new ATOM 0 HE2 PHE A 413 -13.088 -3.747 -2.089 1.00 0.61 H new ATOM 0 HZ PHE A 413 -13.891 -2.747 0.098 1.00 0.57 H new ATOM 274 N GLN A 414 -13.329 1.820 -3.780 1.00 0.54 N ATOM 275 CA GLN A 414 -14.688 2.425 -3.751 1.00 0.53 C ATOM 276 C GLN A 414 -14.856 3.337 -2.584 1.00 0.44 C ATOM 277 O GLN A 414 -15.043 2.930 -1.436 1.00 0.48 O ATOM 278 CB GLN A 414 -15.844 1.397 -3.805 1.00 0.71 C ATOM 279 CG GLN A 414 -17.211 1.978 -3.457 1.00 1.28 C ATOM 280 CD GLN A 414 -18.302 0.922 -3.398 1.00 1.51 C ATOM 281 OE1 GLN A 414 -18.905 0.588 -4.417 1.00 2.11 O ATOM 282 NE2 GLN A 414 -18.595 0.418 -2.207 1.00 1.89 N ATOM 0 H GLN A 414 -12.679 2.213 -3.099 1.00 0.54 H new ATOM 0 HA GLN A 414 -14.756 3.005 -4.671 1.00 0.53 H new ATOM 0 HB2 GLN A 414 -15.888 0.968 -4.806 1.00 0.71 H new ATOM 0 HB3 GLN A 414 -15.622 0.581 -3.118 1.00 0.71 H new ATOM 0 HG2 GLN A 414 -17.151 2.486 -2.494 1.00 1.28 H new ATOM 0 HG3 GLN A 414 -17.480 2.731 -4.198 1.00 1.28 H new ATOM 0 HE21 GLN A 414 -18.073 0.719 -1.384 1.00 1.89 H new ATOM 0 HE22 GLN A 414 -19.342 -0.270 -2.114 1.00 1.89 H new ATOM 291 N ASP A 415 -14.783 4.585 -2.959 1.00 0.39 N ATOM 292 CA ASP A 415 -14.933 5.724 -2.091 1.00 0.34 C ATOM 293 C ASP A 415 -14.276 5.510 -0.752 1.00 0.31 C ATOM 294 O ASP A 415 -14.879 5.739 0.296 1.00 0.35 O ATOM 295 CB ASP A 415 -16.400 6.091 -1.886 1.00 0.40 C ATOM 296 CG ASP A 415 -17.082 6.549 -3.158 1.00 0.45 C ATOM 297 OD1 ASP A 415 -17.762 5.724 -3.804 1.00 0.58 O ATOM 298 OD2 ASP A 415 -16.950 7.741 -3.512 1.00 0.59 O ATOM 0 H ASP A 415 -14.608 4.850 -3.928 1.00 0.39 H new ATOM 0 HA ASP A 415 -14.430 6.551 -2.593 1.00 0.34 H new ATOM 0 HB2 ASP A 415 -16.932 5.227 -1.487 1.00 0.40 H new ATOM 0 HB3 ASP A 415 -16.469 6.882 -1.139 1.00 0.40 H new ATOM 303 N THR A 416 -13.040 5.103 -0.795 1.00 0.27 N ATOM 304 CA THR A 416 -12.295 4.818 0.397 1.00 0.23 C ATOM 305 C THR A 416 -12.030 6.106 1.170 1.00 0.24 C ATOM 306 O THR A 416 -11.836 7.168 0.584 1.00 0.25 O ATOM 307 CB THR A 416 -10.968 4.159 0.005 1.00 0.19 C ATOM 308 OG1 THR A 416 -11.221 2.968 -0.749 1.00 0.22 O ATOM 309 CG2 THR A 416 -10.134 3.836 1.223 1.00 0.22 C ATOM 0 H THR A 416 -12.519 4.959 -1.660 1.00 0.27 H new ATOM 0 HA THR A 416 -12.867 4.144 1.035 1.00 0.23 H new ATOM 0 HB THR A 416 -10.406 4.864 -0.608 1.00 0.19 H new ATOM 0 HG1 THR A 416 -10.451 2.775 -1.323 1.00 0.22 H new ATOM 0 HG21 THR A 416 -9.200 3.370 0.911 1.00 0.22 H new ATOM 0 HG22 THR A 416 -9.917 4.754 1.769 1.00 0.22 H new ATOM 0 HG23 THR A 416 -10.683 3.151 1.869 1.00 0.22 H new ATOM 317 N SER A 417 -12.113 6.021 2.489 1.00 0.25 N ATOM 318 CA SER A 417 -11.834 7.160 3.341 1.00 0.28 C ATOM 319 C SER A 417 -10.335 7.408 3.390 1.00 0.27 C ATOM 320 O SER A 417 -9.884 8.552 3.457 1.00 0.33 O ATOM 321 CB SER A 417 -12.380 6.917 4.752 1.00 0.32 C ATOM 322 OG SER A 417 -12.115 8.017 5.607 1.00 1.14 O ATOM 0 H SER A 417 -12.372 5.172 2.991 1.00 0.25 H new ATOM 0 HA SER A 417 -12.327 8.041 2.929 1.00 0.28 H new ATOM 0 HB2 SER A 417 -13.455 6.744 4.703 1.00 0.32 H new ATOM 0 HB3 SER A 417 -11.930 6.015 5.167 1.00 0.32 H new ATOM 0 HG SER A 417 -12.477 7.833 6.499 1.00 1.14 H new ATOM 328 N GLU A 418 -9.570 6.325 3.351 1.00 0.23 N ATOM 329 CA GLU A 418 -8.133 6.404 3.418 1.00 0.25 C ATOM 330 C GLU A 418 -7.492 5.085 3.021 1.00 0.19 C ATOM 331 O GLU A 418 -8.010 4.025 3.320 1.00 0.28 O ATOM 332 CB GLU A 418 -7.770 6.777 4.838 1.00 0.36 C ATOM 333 CG GLU A 418 -6.324 6.650 5.194 1.00 0.84 C ATOM 334 CD GLU A 418 -6.032 7.372 6.489 1.00 0.86 C ATOM 335 OE1 GLU A 418 -5.947 6.712 7.541 1.00 1.31 O ATOM 336 OE2 GLU A 418 -5.914 8.618 6.462 1.00 1.37 O ATOM 0 H GLU A 418 -9.934 5.376 3.272 1.00 0.23 H new ATOM 0 HA GLU A 418 -7.761 7.153 2.719 1.00 0.25 H new ATOM 0 HB2 GLU A 418 -8.079 7.808 5.013 1.00 0.36 H new ATOM 0 HB3 GLU A 418 -8.348 6.151 5.517 1.00 0.36 H new ATOM 0 HG2 GLU A 418 -6.058 5.597 5.290 1.00 0.84 H new ATOM 0 HG3 GLU A 418 -5.709 7.062 4.394 1.00 0.84 H new ATOM 343 N TYR A 419 -6.365 5.149 2.350 1.00 0.17 N ATOM 344 CA TYR A 419 -5.642 3.925 1.998 1.00 0.16 C ATOM 345 C TYR A 419 -4.365 3.865 2.801 1.00 0.19 C ATOM 346 O TYR A 419 -3.523 4.761 2.712 1.00 0.29 O ATOM 347 CB TYR A 419 -5.284 3.805 0.499 1.00 0.16 C ATOM 348 CG TYR A 419 -6.474 3.810 -0.484 1.00 0.14 C ATOM 349 CD1 TYR A 419 -7.207 2.640 -0.778 1.00 0.12 C ATOM 350 CD2 TYR A 419 -6.863 4.979 -1.142 1.00 0.17 C ATOM 351 CE1 TYR A 419 -8.266 2.661 -1.675 1.00 0.12 C ATOM 352 CE2 TYR A 419 -7.917 4.982 -2.030 1.00 0.18 C ATOM 353 CZ TYR A 419 -8.607 3.832 -2.294 1.00 0.14 C ATOM 354 OH TYR A 419 -9.663 3.859 -3.174 1.00 0.19 O ATOM 0 H TYR A 419 -5.926 6.015 2.036 1.00 0.17 H new ATOM 0 HA TYR A 419 -6.314 3.098 2.225 1.00 0.16 H new ATOM 0 HB2 TYR A 419 -4.619 4.628 0.238 1.00 0.16 H new ATOM 0 HB3 TYR A 419 -4.722 2.883 0.353 1.00 0.16 H new ATOM 0 HD1 TYR A 419 -6.939 1.711 -0.296 1.00 0.12 H new ATOM 0 HD2 TYR A 419 -6.328 5.898 -0.951 1.00 0.17 H new ATOM 0 HE1 TYR A 419 -8.818 1.757 -1.883 1.00 0.12 H new ATOM 0 HE2 TYR A 419 -8.200 5.901 -2.522 1.00 0.18 H new ATOM 0 HH TYR A 419 -9.773 4.767 -3.525 1.00 0.19 H new ATOM 364 N ILE A 420 -4.230 2.829 3.601 1.00 0.18 N ATOM 365 CA ILE A 420 -3.016 2.619 4.349 1.00 0.18 C ATOM 366 C ILE A 420 -2.263 1.448 3.762 1.00 0.17 C ATOM 367 O ILE A 420 -2.822 0.366 3.559 1.00 0.21 O ATOM 368 CB ILE A 420 -3.292 2.389 5.844 1.00 0.22 C ATOM 369 CG1 ILE A 420 -3.863 3.669 6.450 1.00 0.32 C ATOM 370 CG2 ILE A 420 -2.011 1.976 6.578 1.00 0.26 C ATOM 371 CD1 ILE A 420 -4.752 3.432 7.641 1.00 0.32 C ATOM 0 H ILE A 420 -4.949 2.120 3.748 1.00 0.18 H new ATOM 0 HA ILE A 420 -2.410 3.522 4.274 1.00 0.18 H new ATOM 0 HB ILE A 420 -4.014 1.580 5.953 1.00 0.22 H new ATOM 0 HG12 ILE A 420 -3.039 4.319 6.746 1.00 0.32 H new ATOM 0 HG13 ILE A 420 -4.429 4.201 5.685 1.00 0.32 H new ATOM 0 HG21 ILE A 420 -2.231 1.819 7.634 1.00 0.26 H new ATOM 0 HG22 ILE A 420 -1.626 1.052 6.146 1.00 0.26 H new ATOM 0 HG23 ILE A 420 -1.264 2.763 6.476 1.00 0.26 H new ATOM 0 HD11 ILE A 420 -5.119 4.387 8.016 1.00 0.32 H new ATOM 0 HD12 ILE A 420 -5.596 2.809 7.347 1.00 0.32 H new ATOM 0 HD13 ILE A 420 -4.185 2.928 8.424 1.00 0.32 H new ATOM 383 N ILE A 421 -1.007 1.676 3.464 1.00 0.15 N ATOM 384 CA ILE A 421 -0.184 0.662 2.847 1.00 0.18 C ATOM 385 C ILE A 421 0.801 0.137 3.864 1.00 0.19 C ATOM 386 O ILE A 421 1.415 0.902 4.604 1.00 0.30 O ATOM 387 CB ILE A 421 0.582 1.198 1.627 1.00 0.19 C ATOM 388 CG1 ILE A 421 -0.399 1.729 0.580 1.00 0.20 C ATOM 389 CG2 ILE A 421 1.446 0.085 1.049 1.00 0.24 C ATOM 390 CD1 ILE A 421 0.209 2.702 -0.396 1.00 0.32 C ATOM 0 H ILE A 421 -0.529 2.560 3.640 1.00 0.15 H new ATOM 0 HA ILE A 421 -0.842 -0.134 2.499 1.00 0.18 H new ATOM 0 HB ILE A 421 1.226 2.023 1.931 1.00 0.19 H new ATOM 0 HG12 ILE A 421 -0.813 0.887 0.026 1.00 0.20 H new ATOM 0 HG13 ILE A 421 -1.231 2.215 1.090 1.00 0.20 H new ATOM 0 HG21 ILE A 421 1.991 0.460 0.183 1.00 0.24 H new ATOM 0 HG22 ILE A 421 2.154 -0.255 1.804 1.00 0.24 H new ATOM 0 HG23 ILE A 421 0.812 -0.748 0.745 1.00 0.24 H new ATOM 0 HD11 ILE A 421 -0.552 3.030 -1.104 1.00 0.32 H new ATOM 0 HD12 ILE A 421 0.598 3.565 0.145 1.00 0.32 H new ATOM 0 HD13 ILE A 421 1.021 2.216 -0.936 1.00 0.32 H new ATOM 402 N SER A 422 0.947 -1.158 3.883 1.00 0.14 N ATOM 403 CA SER A 422 1.787 -1.818 4.850 1.00 0.14 C ATOM 404 C SER A 422 2.922 -2.549 4.153 1.00 0.16 C ATOM 405 O SER A 422 2.743 -3.650 3.633 1.00 0.36 O ATOM 406 CB SER A 422 0.967 -2.797 5.681 1.00 0.18 C ATOM 407 OG SER A 422 0.055 -2.124 6.539 1.00 0.88 O ATOM 0 H SER A 422 0.487 -1.790 3.228 1.00 0.14 H new ATOM 0 HA SER A 422 2.211 -1.063 5.512 1.00 0.14 H new ATOM 0 HB2 SER A 422 0.417 -3.465 5.018 1.00 0.18 H new ATOM 0 HB3 SER A 422 1.636 -3.418 6.277 1.00 0.18 H new ATOM 0 HG SER A 422 -0.455 -2.783 7.055 1.00 0.88 H new ATOM 413 N CYS A 423 4.078 -1.921 4.131 1.00 0.14 N ATOM 414 CA CYS A 423 5.252 -2.507 3.504 1.00 0.12 C ATOM 415 C CYS A 423 5.985 -3.400 4.497 1.00 0.12 C ATOM 416 O CYS A 423 6.738 -2.910 5.333 1.00 0.13 O ATOM 417 CB CYS A 423 6.193 -1.418 2.991 1.00 0.14 C ATOM 418 SG CYS A 423 7.190 -1.913 1.580 1.00 0.95 S ATOM 0 H CYS A 423 4.234 -1.000 4.541 1.00 0.14 H new ATOM 0 HA CYS A 423 4.923 -3.108 2.656 1.00 0.12 H new ATOM 0 HB2 CYS A 423 5.603 -0.543 2.716 1.00 0.14 H new ATOM 0 HB3 CYS A 423 6.856 -1.114 3.801 1.00 0.14 H new ATOM 0 HG CYS A 423 8.389 -2.217 1.981 1.00 0.95 H new ATOM 424 N HIS A 424 5.758 -4.705 4.408 1.00 0.13 N ATOM 425 CA HIS A 424 6.371 -5.657 5.338 1.00 0.15 C ATOM 426 C HIS A 424 7.677 -6.200 4.788 1.00 0.15 C ATOM 427 O HIS A 424 7.692 -6.990 3.849 1.00 0.16 O ATOM 428 CB HIS A 424 5.434 -6.820 5.644 1.00 0.18 C ATOM 429 CG HIS A 424 4.315 -6.478 6.574 1.00 0.19 C ATOM 430 ND1 HIS A 424 3.195 -5.745 6.379 1.00 0.24 N flip ATOM 431 CD2 HIS A 424 4.261 -6.913 7.881 1.00 0.24 C flip ATOM 432 CE1 HIS A 424 2.496 -5.749 7.557 1.00 0.25 C flip ATOM 433 NE2 HIS A 424 3.158 -6.460 8.446 1.00 0.25 N flip ATOM 0 H HIS A 424 5.156 -5.132 3.704 1.00 0.13 H new ATOM 0 HA HIS A 424 6.571 -5.112 6.260 1.00 0.15 H new ATOM 0 HB2 HIS A 424 5.014 -7.189 4.708 1.00 0.18 H new ATOM 0 HB3 HIS A 424 6.014 -7.635 6.076 1.00 0.18 H new ATOM 0 HD2 HIS A 424 5.005 -7.528 8.366 1.00 0.24 H new ATOM 0 HE1 HIS A 424 1.554 -5.250 7.729 1.00 0.25 H new ATOM 0 HE2 HIS A 424 2.867 -6.632 9.409 1.00 0.25 H new ATOM 442 N PRO A 425 8.784 -5.788 5.391 1.00 0.17 N ATOM 443 CA PRO A 425 10.122 -6.209 4.991 1.00 0.17 C ATOM 444 C PRO A 425 10.377 -7.676 5.243 1.00 0.18 C ATOM 445 O PRO A 425 10.052 -8.230 6.296 1.00 0.24 O ATOM 446 CB PRO A 425 11.066 -5.361 5.845 1.00 0.21 C ATOM 447 CG PRO A 425 10.212 -4.383 6.579 1.00 0.32 C ATOM 448 CD PRO A 425 8.799 -4.876 6.527 1.00 0.22 C ATOM 0 HA PRO A 425 10.263 -6.071 3.919 1.00 0.17 H new ATOM 0 HB2 PRO A 425 11.626 -5.986 6.541 1.00 0.21 H new ATOM 0 HB3 PRO A 425 11.796 -4.846 5.221 1.00 0.21 H new ATOM 0 HG2 PRO A 425 10.545 -4.286 7.613 1.00 0.32 H new ATOM 0 HG3 PRO A 425 10.288 -3.395 6.126 1.00 0.32 H new ATOM 0 HD2 PRO A 425 8.520 -5.384 7.450 1.00 0.22 H new ATOM 0 HD3 PRO A 425 8.095 -4.055 6.389 1.00 0.22 H new ATOM 456 N VAL A 426 10.955 -8.279 4.241 1.00 0.15 N ATOM 457 CA VAL A 426 11.353 -9.665 4.273 1.00 0.19 C ATOM 458 C VAL A 426 12.880 -9.738 4.332 1.00 0.20 C ATOM 459 O VAL A 426 13.565 -8.998 3.624 1.00 0.20 O ATOM 460 CB VAL A 426 10.888 -10.375 2.998 1.00 0.20 C ATOM 461 CG1 VAL A 426 11.085 -11.881 3.081 1.00 0.27 C ATOM 462 CG2 VAL A 426 9.456 -10.026 2.644 1.00 0.21 C ATOM 0 H VAL A 426 11.168 -7.813 3.359 1.00 0.15 H new ATOM 0 HA VAL A 426 10.906 -10.145 5.144 1.00 0.19 H new ATOM 0 HB VAL A 426 11.521 -10.009 2.190 1.00 0.20 H new ATOM 0 HG11 VAL A 426 10.742 -12.344 2.156 1.00 0.27 H new ATOM 0 HG12 VAL A 426 12.142 -12.102 3.227 1.00 0.27 H new ATOM 0 HG13 VAL A 426 10.512 -12.277 3.919 1.00 0.27 H new ATOM 0 HG21 VAL A 426 9.168 -10.551 1.733 1.00 0.21 H new ATOM 0 HG22 VAL A 426 8.797 -10.324 3.459 1.00 0.21 H new ATOM 0 HG23 VAL A 426 9.372 -8.951 2.484 1.00 0.21 H new ATOM 472 N GLY A 427 13.407 -10.606 5.172 1.00 0.26 N ATOM 473 CA GLY A 427 14.852 -10.761 5.282 1.00 0.29 C ATOM 474 C GLY A 427 15.419 -9.986 6.452 1.00 0.32 C ATOM 475 O GLY A 427 16.285 -10.477 7.179 1.00 0.38 O ATOM 0 H GLY A 427 12.865 -11.213 5.787 1.00 0.26 H new ATOM 0 HA2 GLY A 427 15.096 -11.817 5.395 1.00 0.29 H new ATOM 0 HA3 GLY A 427 15.324 -10.422 4.360 1.00 0.29 H new ATOM 479 N THR A 428 14.914 -8.779 6.641 1.00 0.31 N ATOM 480 CA THR A 428 15.343 -7.920 7.725 1.00 0.37 C ATOM 481 C THR A 428 14.400 -7.994 8.904 1.00 0.41 C ATOM 482 O THR A 428 13.368 -8.668 8.859 1.00 0.41 O ATOM 483 CB THR A 428 15.397 -6.460 7.286 1.00 0.37 C ATOM 484 OG1 THR A 428 14.274 -6.154 6.444 1.00 0.30 O ATOM 485 CG2 THR A 428 16.695 -6.151 6.560 1.00 0.42 C ATOM 0 H THR A 428 14.195 -8.369 6.045 1.00 0.31 H new ATOM 0 HA THR A 428 16.334 -8.273 8.012 1.00 0.37 H new ATOM 0 HB THR A 428 15.354 -5.838 8.180 1.00 0.37 H new ATOM 0 HG1 THR A 428 14.308 -5.210 6.184 1.00 0.30 H new ATOM 0 HG21 THR A 428 16.703 -5.103 6.260 1.00 0.42 H new ATOM 0 HG22 THR A 428 17.538 -6.345 7.223 1.00 0.42 H new ATOM 0 HG23 THR A 428 16.776 -6.783 5.675 1.00 0.42 H new ATOM 493 N ASP A 429 14.769 -7.290 9.960 1.00 0.48 N ATOM 494 CA ASP A 429 13.900 -7.134 11.104 1.00 0.54 C ATOM 495 C ASP A 429 13.202 -5.779 11.070 1.00 0.49 C ATOM 496 O ASP A 429 12.742 -5.276 12.096 1.00 0.59 O ATOM 497 CB ASP A 429 14.687 -7.280 12.399 1.00 0.69 C ATOM 498 CG ASP A 429 13.801 -7.477 13.613 1.00 1.09 C ATOM 499 OD1 ASP A 429 13.019 -8.449 13.634 1.00 1.06 O ATOM 500 OD2 ASP A 429 13.886 -6.668 14.564 1.00 1.78 O ATOM 0 H ASP A 429 15.669 -6.817 10.045 1.00 0.48 H new ATOM 0 HA ASP A 429 13.144 -7.918 11.062 1.00 0.54 H new ATOM 0 HB2 ASP A 429 15.366 -8.128 12.311 1.00 0.69 H new ATOM 0 HB3 ASP A 429 15.302 -6.392 12.546 1.00 0.69 H new ATOM 505 N GLU A 430 13.120 -5.188 9.889 1.00 0.40 N ATOM 506 CA GLU A 430 12.491 -3.889 9.738 1.00 0.38 C ATOM 507 C GLU A 430 10.997 -3.987 9.926 1.00 0.31 C ATOM 508 O GLU A 430 10.390 -5.040 9.706 1.00 0.33 O ATOM 509 CB GLU A 430 12.804 -3.281 8.367 1.00 0.38 C ATOM 510 CG GLU A 430 14.263 -2.918 8.149 1.00 0.48 C ATOM 511 CD GLU A 430 14.507 -2.335 6.773 1.00 1.58 C ATOM 512 OE1 GLU A 430 14.587 -3.113 5.800 1.00 2.50 O ATOM 513 OE2 GLU A 430 14.631 -1.095 6.659 1.00 1.64 O ATOM 0 H GLU A 430 13.481 -5.588 9.023 1.00 0.40 H new ATOM 0 HA GLU A 430 12.899 -3.236 10.510 1.00 0.38 H new ATOM 0 HB2 GLU A 430 12.501 -3.987 7.594 1.00 0.38 H new ATOM 0 HB3 GLU A 430 12.198 -2.385 8.236 1.00 0.38 H new ATOM 0 HG2 GLU A 430 14.574 -2.199 8.907 1.00 0.48 H new ATOM 0 HG3 GLU A 430 14.880 -3.807 8.280 1.00 0.48 H new ATOM 520 N GLU A 431 10.422 -2.881 10.347 1.00 0.29 N ATOM 521 CA GLU A 431 9.022 -2.812 10.602 1.00 0.26 C ATOM 522 C GLU A 431 8.297 -2.419 9.323 1.00 0.24 C ATOM 523 O GLU A 431 8.889 -1.835 8.413 1.00 0.26 O ATOM 524 CB GLU A 431 8.750 -1.801 11.718 1.00 0.29 C ATOM 525 CG GLU A 431 8.608 -0.382 11.211 1.00 0.63 C ATOM 526 CD GLU A 431 8.352 0.622 12.317 1.00 0.87 C ATOM 527 OE1 GLU A 431 9.309 1.293 12.755 1.00 1.11 O ATOM 528 OE2 GLU A 431 7.189 0.744 12.754 1.00 1.05 O ATOM 0 H GLU A 431 10.924 -2.010 10.519 1.00 0.29 H new ATOM 0 HA GLU A 431 8.655 -3.786 10.926 1.00 0.26 H new ATOM 0 HB2 GLU A 431 7.839 -2.086 12.244 1.00 0.29 H new ATOM 0 HB3 GLU A 431 9.563 -1.842 12.443 1.00 0.29 H new ATOM 0 HG2 GLU A 431 9.515 -0.101 10.676 1.00 0.63 H new ATOM 0 HG3 GLU A 431 7.789 -0.339 10.493 1.00 0.63 H new ATOM 535 N PRO A 432 7.019 -2.765 9.236 1.00 0.23 N ATOM 536 CA PRO A 432 6.187 -2.407 8.102 1.00 0.21 C ATOM 537 C PRO A 432 6.010 -0.912 8.009 1.00 0.20 C ATOM 538 O PRO A 432 5.439 -0.281 8.903 1.00 0.24 O ATOM 539 CB PRO A 432 4.838 -3.085 8.371 1.00 0.24 C ATOM 540 CG PRO A 432 4.889 -3.581 9.786 1.00 0.23 C ATOM 541 CD PRO A 432 6.318 -3.521 10.257 1.00 0.24 C ATOM 0 HA PRO A 432 6.633 -2.725 7.160 1.00 0.21 H new ATOM 0 HB2 PRO A 432 4.016 -2.382 8.235 1.00 0.24 H new ATOM 0 HB3 PRO A 432 4.672 -3.908 7.676 1.00 0.24 H new ATOM 0 HG2 PRO A 432 4.252 -2.970 10.426 1.00 0.23 H new ATOM 0 HG3 PRO A 432 4.513 -4.602 9.844 1.00 0.23 H new ATOM 0 HD2 PRO A 432 6.393 -3.034 11.229 1.00 0.24 H new ATOM 0 HD3 PRO A 432 6.739 -4.520 10.367 1.00 0.24 H new ATOM 549 N LEU A 433 6.500 -0.356 6.924 1.00 0.20 N ATOM 550 CA LEU A 433 6.321 1.044 6.655 1.00 0.20 C ATOM 551 C LEU A 433 4.894 1.273 6.273 1.00 0.20 C ATOM 552 O LEU A 433 4.449 0.871 5.196 1.00 0.30 O ATOM 553 CB LEU A 433 7.207 1.509 5.522 1.00 0.22 C ATOM 554 CG LEU A 433 8.662 1.806 5.898 1.00 0.24 C ATOM 555 CD1 LEU A 433 9.432 0.535 6.203 1.00 0.65 C ATOM 556 CD2 LEU A 433 9.345 2.605 4.801 1.00 0.73 C ATOM 0 H LEU A 433 7.028 -0.860 6.212 1.00 0.20 H new ATOM 0 HA LEU A 433 6.588 1.606 7.550 1.00 0.20 H new ATOM 0 HB2 LEU A 433 7.200 0.747 4.743 1.00 0.22 H new ATOM 0 HB3 LEU A 433 6.771 2.410 5.090 1.00 0.22 H new ATOM 0 HG LEU A 433 8.653 2.406 6.808 1.00 0.24 H new ATOM 0 HD11 LEU A 433 10.460 0.786 6.465 1.00 0.65 H new ATOM 0 HD12 LEU A 433 8.961 0.016 7.038 1.00 0.65 H new ATOM 0 HD13 LEU A 433 9.429 -0.111 5.325 1.00 0.65 H new ATOM 0 HD21 LEU A 433 10.378 2.806 5.086 1.00 0.73 H new ATOM 0 HD22 LEU A 433 9.330 2.035 3.872 1.00 0.73 H new ATOM 0 HD23 LEU A 433 8.818 3.548 4.656 1.00 0.73 H new ATOM 568 N GLN A 434 4.175 1.878 7.163 1.00 0.17 N ATOM 569 CA GLN A 434 2.791 2.142 6.925 1.00 0.17 C ATOM 570 C GLN A 434 2.603 3.530 6.380 1.00 0.20 C ATOM 571 O GLN A 434 2.877 4.536 7.039 1.00 0.27 O ATOM 572 CB GLN A 434 1.954 1.902 8.167 1.00 0.18 C ATOM 573 CG GLN A 434 1.322 0.525 8.161 1.00 0.21 C ATOM 574 CD GLN A 434 0.386 0.282 9.330 1.00 0.38 C ATOM 575 OE1 GLN A 434 -0.799 0.602 9.269 1.00 1.26 O ATOM 576 NE2 GLN A 434 0.899 -0.299 10.398 1.00 0.74 N ATOM 0 H GLN A 434 4.524 2.200 8.066 1.00 0.17 H new ATOM 0 HA GLN A 434 2.438 1.439 6.171 1.00 0.17 H new ATOM 0 HB2 GLN A 434 2.579 2.011 9.053 1.00 0.18 H new ATOM 0 HB3 GLN A 434 1.173 2.660 8.232 1.00 0.18 H new ATOM 0 HG2 GLN A 434 0.770 0.392 7.231 1.00 0.21 H new ATOM 0 HG3 GLN A 434 2.110 -0.228 8.175 1.00 0.21 H new ATOM 0 HE21 GLN A 434 1.887 -0.552 10.416 1.00 0.74 H new ATOM 0 HE22 GLN A 434 0.308 -0.495 11.205 1.00 0.74 H new ATOM 585 N PHE A 435 2.134 3.550 5.163 1.00 0.20 N ATOM 586 CA PHE A 435 1.946 4.789 4.421 1.00 0.23 C ATOM 587 C PHE A 435 0.474 5.121 4.317 1.00 0.21 C ATOM 588 O PHE A 435 -0.359 4.241 4.116 1.00 0.24 O ATOM 589 CB PHE A 435 2.567 4.706 3.022 1.00 0.25 C ATOM 590 CG PHE A 435 4.062 4.831 3.012 1.00 0.31 C ATOM 591 CD1 PHE A 435 4.866 3.703 2.960 1.00 0.36 C ATOM 592 CD2 PHE A 435 4.663 6.077 3.048 1.00 0.38 C ATOM 593 CE1 PHE A 435 6.242 3.821 2.938 1.00 0.43 C ATOM 594 CE2 PHE A 435 6.037 6.199 3.028 1.00 0.46 C ATOM 595 CZ PHE A 435 6.828 5.069 2.975 1.00 0.47 C ATOM 0 H PHE A 435 1.868 2.711 4.647 1.00 0.20 H new ATOM 0 HA PHE A 435 2.455 5.583 4.968 1.00 0.23 H new ATOM 0 HB2 PHE A 435 2.289 3.755 2.568 1.00 0.25 H new ATOM 0 HB3 PHE A 435 2.142 5.493 2.399 1.00 0.25 H new ATOM 0 HD1 PHE A 435 4.412 2.723 2.936 1.00 0.36 H new ATOM 0 HD2 PHE A 435 4.049 6.964 3.092 1.00 0.38 H new ATOM 0 HE1 PHE A 435 6.859 2.936 2.892 1.00 0.43 H new ATOM 0 HE2 PHE A 435 6.493 7.178 3.054 1.00 0.46 H new ATOM 0 HZ PHE A 435 7.904 5.162 2.963 1.00 0.47 H new ATOM 605 N ARG A 436 0.166 6.395 4.464 1.00 0.22 N ATOM 606 CA ARG A 436 -1.208 6.843 4.529 1.00 0.21 C ATOM 607 C ARG A 436 -1.494 7.852 3.419 1.00 0.19 C ATOM 608 O ARG A 436 -0.839 8.893 3.329 1.00 0.27 O ATOM 609 CB ARG A 436 -1.447 7.470 5.894 1.00 0.27 C ATOM 610 CG ARG A 436 -2.900 7.709 6.217 1.00 0.72 C ATOM 611 CD ARG A 436 -3.070 8.218 7.636 1.00 0.74 C ATOM 612 NE ARG A 436 -2.481 9.542 7.820 1.00 1.52 N ATOM 613 CZ ARG A 436 -3.192 10.662 7.916 1.00 2.15 C ATOM 614 NH1 ARG A 436 -4.511 10.635 7.757 1.00 2.32 N ATOM 615 NH2 ARG A 436 -2.580 11.816 8.144 1.00 3.14 N ATOM 0 H ARG A 436 0.856 7.142 4.541 1.00 0.22 H new ATOM 0 HA ARG A 436 -1.880 5.996 4.390 1.00 0.21 H new ATOM 0 HB2 ARG A 436 -1.018 6.823 6.659 1.00 0.27 H new ATOM 0 HB3 ARG A 436 -0.914 8.420 5.944 1.00 0.27 H new ATOM 0 HG2 ARG A 436 -3.317 8.432 5.516 1.00 0.72 H new ATOM 0 HG3 ARG A 436 -3.461 6.783 6.090 1.00 0.72 H new ATOM 0 HD2 ARG A 436 -4.131 8.257 7.882 1.00 0.74 H new ATOM 0 HD3 ARG A 436 -2.607 7.516 8.330 1.00 0.74 H new ATOM 0 HE ARG A 436 -1.465 9.612 7.878 1.00 1.52 H new ATOM 0 HH11 ARG A 436 -4.983 9.752 7.560 1.00 2.32 H new ATOM 0 HH12 ARG A 436 -5.051 11.497 7.832 1.00 2.32 H new ATOM 0 HH21 ARG A 436 -1.565 11.844 8.245 1.00 3.14 H new ATOM 0 HH22 ARG A 436 -3.124 12.676 8.218 1.00 3.14 H new ATOM 629 N VAL A 437 -2.460 7.537 2.569 1.00 0.17 N ATOM 630 CA VAL A 437 -2.814 8.401 1.454 1.00 0.16 C ATOM 631 C VAL A 437 -4.317 8.626 1.400 1.00 0.16 C ATOM 632 O VAL A 437 -5.105 7.858 1.961 1.00 0.17 O ATOM 633 CB VAL A 437 -2.322 7.845 0.094 1.00 0.16 C ATOM 634 CG1 VAL A 437 -0.823 7.609 0.121 1.00 0.20 C ATOM 635 CG2 VAL A 437 -3.059 6.574 -0.292 1.00 0.14 C ATOM 0 H VAL A 437 -3.015 6.684 2.632 1.00 0.17 H new ATOM 0 HA VAL A 437 -2.309 9.352 1.627 1.00 0.16 H new ATOM 0 HB VAL A 437 -2.541 8.595 -0.666 1.00 0.16 H new ATOM 0 HG11 VAL A 437 -0.499 7.219 -0.844 1.00 0.20 H new ATOM 0 HG12 VAL A 437 -0.310 8.549 0.323 1.00 0.20 H new ATOM 0 HG13 VAL A 437 -0.582 6.889 0.903 1.00 0.20 H new ATOM 0 HG21 VAL A 437 -2.686 6.214 -1.251 1.00 0.14 H new ATOM 0 HG22 VAL A 437 -2.894 5.812 0.470 1.00 0.14 H new ATOM 0 HG23 VAL A 437 -4.126 6.782 -0.372 1.00 0.14 H new ATOM 645 N PRO A 438 -4.698 9.724 0.749 1.00 0.17 N ATOM 646 CA PRO A 438 -6.094 10.144 0.564 1.00 0.18 C ATOM 647 C PRO A 438 -6.968 9.025 -0.018 1.00 0.16 C ATOM 648 O PRO A 438 -6.510 8.234 -0.842 1.00 0.14 O ATOM 649 CB PRO A 438 -5.953 11.315 -0.436 1.00 0.19 C ATOM 650 CG PRO A 438 -4.599 11.860 -0.143 1.00 0.21 C ATOM 651 CD PRO A 438 -3.753 10.674 0.152 1.00 0.19 C ATOM 0 HA PRO A 438 -6.584 10.412 1.500 1.00 0.18 H new ATOM 0 HB2 PRO A 438 -6.034 10.974 -1.468 1.00 0.19 H new ATOM 0 HB3 PRO A 438 -6.729 12.066 -0.287 1.00 0.19 H new ATOM 0 HG2 PRO A 438 -4.208 12.420 -0.993 1.00 0.21 H new ATOM 0 HG3 PRO A 438 -4.626 12.545 0.705 1.00 0.21 H new ATOM 0 HD2 PRO A 438 -3.295 10.272 -0.752 1.00 0.19 H new ATOM 0 HD3 PRO A 438 -2.942 10.919 0.838 1.00 0.19 H new ATOM 659 N GLY A 439 -8.229 8.983 0.410 1.00 0.19 N ATOM 660 CA GLY A 439 -9.108 7.872 0.095 1.00 0.20 C ATOM 661 C GLY A 439 -9.505 7.757 -1.366 1.00 0.18 C ATOM 662 O GLY A 439 -10.115 6.767 -1.762 1.00 0.20 O ATOM 0 H GLY A 439 -8.661 9.712 0.978 1.00 0.19 H new ATOM 0 HA2 GLY A 439 -8.619 6.946 0.396 1.00 0.20 H new ATOM 0 HA3 GLY A 439 -10.013 7.964 0.695 1.00 0.20 H new ATOM 666 N THR A 440 -9.209 8.761 -2.169 1.00 0.16 N ATOM 667 CA THR A 440 -9.523 8.686 -3.583 1.00 0.18 C ATOM 668 C THR A 440 -8.274 8.360 -4.420 1.00 0.16 C ATOM 669 O THR A 440 -8.381 7.913 -5.562 1.00 0.19 O ATOM 670 CB THR A 440 -10.135 10.004 -4.071 1.00 0.24 C ATOM 671 OG1 THR A 440 -9.372 11.113 -3.571 1.00 0.27 O ATOM 672 CG2 THR A 440 -11.583 10.125 -3.623 1.00 0.29 C ATOM 0 H THR A 440 -8.758 9.627 -1.872 1.00 0.16 H new ATOM 0 HA THR A 440 -10.247 7.881 -3.712 1.00 0.18 H new ATOM 0 HB THR A 440 -10.110 10.013 -5.161 1.00 0.24 H new ATOM 0 HG1 THR A 440 -9.768 11.952 -3.888 1.00 0.27 H new ATOM 0 HG21 THR A 440 -11.997 11.068 -3.981 1.00 0.29 H new ATOM 0 HG22 THR A 440 -12.161 9.297 -4.032 1.00 0.29 H new ATOM 0 HG23 THR A 440 -11.631 10.098 -2.534 1.00 0.29 H new ATOM 680 N SER A 441 -7.092 8.595 -3.841 1.00 0.13 N ATOM 681 CA SER A 441 -5.824 8.303 -4.496 1.00 0.12 C ATOM 682 C SER A 441 -5.687 6.817 -4.821 1.00 0.11 C ATOM 683 O SER A 441 -6.111 5.961 -4.050 1.00 0.12 O ATOM 684 CB SER A 441 -4.680 8.740 -3.585 1.00 0.13 C ATOM 685 OG SER A 441 -4.736 10.139 -3.341 1.00 0.16 O ATOM 0 H SER A 441 -6.993 8.992 -2.907 1.00 0.13 H new ATOM 0 HA SER A 441 -5.789 8.852 -5.437 1.00 0.12 H new ATOM 0 HB2 SER A 441 -4.734 8.199 -2.640 1.00 0.13 H new ATOM 0 HB3 SER A 441 -3.725 8.484 -4.044 1.00 0.13 H new ATOM 0 HG SER A 441 -3.914 10.426 -2.890 1.00 0.16 H new ATOM 691 N THR A 442 -5.093 6.515 -5.961 1.00 0.10 N ATOM 692 CA THR A 442 -4.933 5.138 -6.383 1.00 0.12 C ATOM 693 C THR A 442 -3.468 4.822 -6.663 1.00 0.13 C ATOM 694 O THR A 442 -3.143 3.809 -7.282 1.00 0.16 O ATOM 695 CB THR A 442 -5.798 4.831 -7.622 1.00 0.13 C ATOM 696 OG1 THR A 442 -5.557 5.810 -8.645 1.00 0.14 O ATOM 697 CG2 THR A 442 -7.279 4.821 -7.258 1.00 0.17 C ATOM 0 H THR A 442 -4.714 7.205 -6.610 1.00 0.10 H new ATOM 0 HA THR A 442 -5.272 4.500 -5.567 1.00 0.12 H new ATOM 0 HB THR A 442 -5.524 3.844 -7.995 1.00 0.13 H new ATOM 0 HG1 THR A 442 -6.109 5.607 -9.429 1.00 0.14 H new ATOM 0 HG21 THR A 442 -7.871 4.602 -8.147 1.00 0.17 H new ATOM 0 HG22 THR A 442 -7.463 4.057 -6.503 1.00 0.17 H new ATOM 0 HG23 THR A 442 -7.563 5.797 -6.864 1.00 0.17 H new ATOM 705 N SER A 443 -2.582 5.701 -6.212 1.00 0.12 N ATOM 706 CA SER A 443 -1.149 5.505 -6.369 1.00 0.15 C ATOM 707 C SER A 443 -0.400 6.275 -5.283 1.00 0.15 C ATOM 708 O SER A 443 -0.888 7.292 -4.788 1.00 0.19 O ATOM 709 CB SER A 443 -0.683 5.968 -7.754 1.00 0.17 C ATOM 710 OG SER A 443 -1.520 5.459 -8.781 1.00 1.08 O ATOM 0 H SER A 443 -2.835 6.564 -5.730 1.00 0.12 H new ATOM 0 HA SER A 443 -0.933 4.441 -6.273 1.00 0.15 H new ATOM 0 HB2 SER A 443 -0.679 7.057 -7.793 1.00 0.17 H new ATOM 0 HB3 SER A 443 0.343 5.640 -7.923 1.00 0.17 H new ATOM 0 HG SER A 443 -1.198 5.773 -9.652 1.00 1.08 H new ATOM 716 N ALA A 444 0.765 5.774 -4.901 1.00 0.14 N ATOM 717 CA ALA A 444 1.582 6.414 -3.876 1.00 0.15 C ATOM 718 C ALA A 444 3.032 6.090 -4.042 1.00 0.16 C ATOM 719 O ALA A 444 3.417 4.959 -4.338 1.00 0.15 O ATOM 720 CB ALA A 444 1.122 6.008 -2.486 1.00 0.16 C ATOM 0 H ALA A 444 1.169 4.921 -5.287 1.00 0.14 H new ATOM 0 HA ALA A 444 1.457 7.490 -3.994 1.00 0.15 H new ATOM 0 HB1 ALA A 444 1.746 6.498 -1.739 1.00 0.16 H new ATOM 0 HB2 ALA A 444 0.084 6.308 -2.344 1.00 0.16 H new ATOM 0 HB3 ALA A 444 1.206 4.927 -2.376 1.00 0.16 H new ATOM 726 N THR A 445 3.823 7.116 -3.875 1.00 0.24 N ATOM 727 CA THR A 445 5.242 6.982 -3.832 1.00 0.25 C ATOM 728 C THR A 445 5.682 6.582 -2.447 1.00 0.26 C ATOM 729 O THR A 445 5.575 7.345 -1.483 1.00 0.33 O ATOM 730 CB THR A 445 5.902 8.291 -4.241 1.00 0.31 C ATOM 731 OG1 THR A 445 5.589 8.578 -5.615 1.00 0.34 O ATOM 732 CG2 THR A 445 7.417 8.234 -4.041 1.00 0.34 C ATOM 0 H THR A 445 3.491 8.074 -3.765 1.00 0.24 H new ATOM 0 HA THR A 445 5.546 6.204 -4.532 1.00 0.25 H new ATOM 0 HB THR A 445 5.514 9.088 -3.606 1.00 0.31 H new ATOM 0 HG1 THR A 445 5.823 7.806 -6.172 1.00 0.34 H new ATOM 0 HG21 THR A 445 7.860 9.183 -4.342 1.00 0.34 H new ATOM 0 HG22 THR A 445 7.639 8.047 -2.990 1.00 0.34 H new ATOM 0 HG23 THR A 445 7.834 7.431 -4.648 1.00 0.34 H new ATOM 740 N LEU A 446 6.148 5.365 -2.360 1.00 0.22 N ATOM 741 CA LEU A 446 6.607 4.822 -1.107 1.00 0.25 C ATOM 742 C LEU A 446 8.093 5.044 -0.958 1.00 0.24 C ATOM 743 O LEU A 446 8.918 4.273 -1.447 1.00 0.23 O ATOM 744 CB LEU A 446 6.222 3.330 -0.981 1.00 0.25 C ATOM 745 CG LEU A 446 4.850 3.048 -0.313 1.00 0.32 C ATOM 746 CD1 LEU A 446 3.761 3.914 -0.921 1.00 0.65 C ATOM 747 CD2 LEU A 446 4.482 1.575 -0.454 1.00 0.59 C ATOM 0 H LEU A 446 6.221 4.724 -3.150 1.00 0.22 H new ATOM 0 HA LEU A 446 6.113 5.346 -0.289 1.00 0.25 H new ATOM 0 HB2 LEU A 446 6.219 2.888 -1.977 1.00 0.25 H new ATOM 0 HB3 LEU A 446 6.997 2.820 -0.409 1.00 0.25 H new ATOM 0 HG LEU A 446 4.935 3.293 0.746 1.00 0.32 H new ATOM 0 HD11 LEU A 446 2.810 3.697 -0.435 1.00 0.65 H new ATOM 0 HD12 LEU A 446 4.010 4.965 -0.778 1.00 0.65 H new ATOM 0 HD13 LEU A 446 3.681 3.702 -1.987 1.00 0.65 H new ATOM 0 HD21 LEU A 446 3.517 1.394 0.020 1.00 0.59 H new ATOM 0 HD22 LEU A 446 4.422 1.315 -1.511 1.00 0.59 H new ATOM 0 HD23 LEU A 446 5.244 0.962 0.028 1.00 0.59 H new ATOM 759 N THR A 447 8.413 6.121 -0.273 1.00 0.30 N ATOM 760 CA THR A 447 9.778 6.578 -0.155 1.00 0.30 C ATOM 761 C THR A 447 10.353 6.202 1.203 1.00 0.29 C ATOM 762 O THR A 447 9.683 6.284 2.231 1.00 0.36 O ATOM 763 CB THR A 447 9.845 8.100 -0.332 1.00 0.39 C ATOM 764 OG1 THR A 447 9.015 8.500 -1.425 1.00 0.86 O ATOM 765 CG2 THR A 447 11.254 8.595 -0.579 1.00 0.60 C ATOM 0 H THR A 447 7.734 6.703 0.217 1.00 0.30 H new ATOM 0 HA THR A 447 10.366 6.096 -0.936 1.00 0.30 H new ATOM 0 HB THR A 447 9.493 8.542 0.600 1.00 0.39 H new ATOM 0 HG1 THR A 447 9.061 9.473 -1.532 1.00 0.86 H new ATOM 0 HG21 THR A 447 11.244 9.679 -0.697 1.00 0.60 H new ATOM 0 HG22 THR A 447 11.887 8.328 0.267 1.00 0.60 H new ATOM 0 HG23 THR A 447 11.648 8.135 -1.485 1.00 0.60 H new ATOM 773 N GLY A 448 11.592 5.781 1.176 1.00 0.30 N ATOM 774 CA GLY A 448 12.307 5.427 2.386 1.00 0.38 C ATOM 775 C GLY A 448 12.604 3.942 2.480 1.00 0.30 C ATOM 776 O GLY A 448 13.299 3.505 3.394 1.00 0.38 O ATOM 0 H GLY A 448 12.136 5.673 0.320 1.00 0.30 H new ATOM 0 HA2 GLY A 448 13.243 5.983 2.425 1.00 0.38 H new ATOM 0 HA3 GLY A 448 11.719 5.731 3.252 1.00 0.38 H new ATOM 780 N LEU A 449 12.068 3.163 1.542 1.00 0.28 N ATOM 781 CA LEU A 449 12.350 1.738 1.474 1.00 0.25 C ATOM 782 C LEU A 449 13.832 1.481 1.236 1.00 0.25 C ATOM 783 O LEU A 449 14.489 2.203 0.481 1.00 0.34 O ATOM 784 CB LEU A 449 11.512 1.084 0.377 1.00 0.24 C ATOM 785 CG LEU A 449 10.003 1.091 0.627 1.00 0.21 C ATOM 786 CD1 LEU A 449 9.257 0.570 -0.588 1.00 0.27 C ATOM 787 CD2 LEU A 449 9.668 0.247 1.842 1.00 0.23 C ATOM 0 H LEU A 449 11.434 3.500 0.818 1.00 0.28 H new ATOM 0 HA LEU A 449 12.083 1.294 2.433 1.00 0.25 H new ATOM 0 HB2 LEU A 449 11.712 1.594 -0.565 1.00 0.24 H new ATOM 0 HB3 LEU A 449 11.841 0.052 0.256 1.00 0.24 H new ATOM 0 HG LEU A 449 9.691 2.119 0.812 1.00 0.21 H new ATOM 0 HD11 LEU A 449 8.185 0.583 -0.390 1.00 0.27 H new ATOM 0 HD12 LEU A 449 9.475 1.203 -1.448 1.00 0.27 H new ATOM 0 HD13 LEU A 449 9.575 -0.451 -0.800 1.00 0.27 H new ATOM 0 HD21 LEU A 449 8.591 0.261 2.009 1.00 0.23 H new ATOM 0 HD22 LEU A 449 9.996 -0.779 1.674 1.00 0.23 H new ATOM 0 HD23 LEU A 449 10.176 0.652 2.717 1.00 0.23 H new ATOM 799 N THR A 450 14.351 0.455 1.892 1.00 0.22 N ATOM 800 CA THR A 450 15.761 0.126 1.811 1.00 0.23 C ATOM 801 C THR A 450 16.042 -0.769 0.631 1.00 0.22 C ATOM 802 O THR A 450 15.639 -1.932 0.572 1.00 0.38 O ATOM 803 CB THR A 450 16.251 -0.540 3.111 1.00 0.27 C ATOM 804 OG1 THR A 450 15.739 0.172 4.249 1.00 0.32 O ATOM 805 CG2 THR A 450 17.769 -0.565 3.175 1.00 0.34 C ATOM 0 H THR A 450 13.809 -0.168 2.491 1.00 0.22 H new ATOM 0 HA THR A 450 16.307 1.059 1.675 1.00 0.23 H new ATOM 0 HB THR A 450 15.885 -1.567 3.122 1.00 0.27 H new ATOM 0 HG1 THR A 450 15.425 -0.468 4.921 1.00 0.32 H new ATOM 0 HG21 THR A 450 18.086 -1.041 4.103 1.00 0.34 H new ATOM 0 HG22 THR A 450 18.160 -1.127 2.327 1.00 0.34 H new ATOM 0 HG23 THR A 450 18.151 0.455 3.141 1.00 0.34 H new ATOM 813 N ARG A 451 16.710 -0.166 -0.319 1.00 0.29 N ATOM 814 CA ARG A 451 17.166 -0.837 -1.508 1.00 0.26 C ATOM 815 C ARG A 451 18.027 -2.040 -1.192 1.00 0.26 C ATOM 816 O ARG A 451 18.971 -1.982 -0.401 1.00 0.30 O ATOM 817 CB ARG A 451 17.894 0.161 -2.383 1.00 0.31 C ATOM 818 CG ARG A 451 19.104 0.746 -1.712 1.00 0.32 C ATOM 819 CD ARG A 451 19.541 2.021 -2.394 1.00 0.43 C ATOM 820 NE ARG A 451 20.831 2.507 -1.911 1.00 1.32 N ATOM 821 CZ ARG A 451 21.394 3.644 -2.316 1.00 1.75 C ATOM 822 NH1 ARG A 451 20.771 4.419 -3.196 1.00 1.39 N ATOM 823 NH2 ARG A 451 22.580 4.004 -1.843 1.00 2.70 N ATOM 0 H ARG A 451 16.956 0.823 -0.287 1.00 0.29 H new ATOM 0 HA ARG A 451 16.302 -1.226 -2.046 1.00 0.26 H new ATOM 0 HB2 ARG A 451 18.198 -0.327 -3.309 1.00 0.31 H new ATOM 0 HB3 ARG A 451 17.211 0.965 -2.656 1.00 0.31 H new ATOM 0 HG2 ARG A 451 18.881 0.948 -0.665 1.00 0.32 H new ATOM 0 HG3 ARG A 451 19.919 0.023 -1.730 1.00 0.32 H new ATOM 0 HD2 ARG A 451 19.601 1.851 -3.469 1.00 0.43 H new ATOM 0 HD3 ARG A 451 18.785 2.790 -2.235 1.00 0.43 H new ATOM 0 HE ARG A 451 21.330 1.943 -1.223 1.00 1.32 H new ATOM 0 HH11 ARG A 451 19.860 4.144 -3.563 1.00 1.39 H new ATOM 0 HH12 ARG A 451 21.204 5.289 -3.505 1.00 1.39 H new ATOM 0 HH21 ARG A 451 23.062 3.410 -1.168 1.00 2.70 H new ATOM 0 HH22 ARG A 451 23.010 4.875 -2.154 1.00 2.70 H new ATOM 837 N GLY A 452 17.655 -3.138 -1.809 1.00 0.28 N ATOM 838 CA GLY A 452 18.331 -4.385 -1.611 1.00 0.34 C ATOM 839 C GLY A 452 17.600 -5.267 -0.625 1.00 0.32 C ATOM 840 O GLY A 452 18.062 -6.357 -0.281 1.00 0.41 O ATOM 0 H GLY A 452 16.873 -3.184 -2.462 1.00 0.28 H new ATOM 0 HA2 GLY A 452 18.423 -4.904 -2.565 1.00 0.34 H new ATOM 0 HA3 GLY A 452 19.343 -4.197 -1.251 1.00 0.34 H new ATOM 844 N ALA A 453 16.464 -4.776 -0.160 1.00 0.32 N ATOM 845 CA ALA A 453 15.611 -5.515 0.753 1.00 0.31 C ATOM 846 C ALA A 453 14.262 -5.752 0.131 1.00 0.27 C ATOM 847 O ALA A 453 13.788 -4.992 -0.719 1.00 0.35 O ATOM 848 CB ALA A 453 15.481 -4.775 2.077 1.00 0.32 C ATOM 0 H ALA A 453 16.107 -3.853 -0.406 1.00 0.32 H new ATOM 0 HA ALA A 453 16.068 -6.484 0.953 1.00 0.31 H new ATOM 0 HB1 ALA A 453 14.838 -5.343 2.750 1.00 0.32 H new ATOM 0 HB2 ALA A 453 16.467 -4.660 2.528 1.00 0.32 H new ATOM 0 HB3 ALA A 453 15.045 -3.791 1.903 1.00 0.32 H new ATOM 854 N THR A 454 13.683 -6.838 0.556 1.00 0.23 N ATOM 855 CA THR A 454 12.420 -7.302 0.065 1.00 0.21 C ATOM 856 C THR A 454 11.288 -6.759 0.931 1.00 0.17 C ATOM 857 O THR A 454 11.399 -6.731 2.154 1.00 0.19 O ATOM 858 CB THR A 454 12.436 -8.825 0.116 1.00 0.22 C ATOM 859 OG1 THR A 454 13.416 -9.351 -0.779 1.00 0.29 O ATOM 860 CG2 THR A 454 11.080 -9.408 -0.245 1.00 0.24 C ATOM 0 H THR A 454 14.088 -7.440 1.273 1.00 0.23 H new ATOM 0 HA THR A 454 12.258 -6.957 -0.956 1.00 0.21 H new ATOM 0 HB THR A 454 12.683 -9.107 1.140 1.00 0.22 H new ATOM 0 HG1 THR A 454 13.224 -9.046 -1.690 1.00 0.29 H new ATOM 0 HG21 THR A 454 11.128 -10.496 -0.198 1.00 0.24 H new ATOM 0 HG22 THR A 454 10.330 -9.047 0.459 1.00 0.24 H new ATOM 0 HG23 THR A 454 10.808 -9.100 -1.255 1.00 0.24 H new ATOM 868 N TYR A 455 10.216 -6.313 0.301 1.00 0.16 N ATOM 869 CA TYR A 455 9.091 -5.748 1.024 1.00 0.16 C ATOM 870 C TYR A 455 7.766 -6.267 0.479 1.00 0.13 C ATOM 871 O TYR A 455 7.476 -6.131 -0.707 1.00 0.15 O ATOM 872 CB TYR A 455 9.119 -4.224 0.926 1.00 0.23 C ATOM 873 CG TYR A 455 10.257 -3.564 1.675 1.00 0.22 C ATOM 874 CD1 TYR A 455 10.095 -3.148 2.987 1.00 0.20 C ATOM 875 CD2 TYR A 455 11.492 -3.368 1.072 1.00 0.28 C ATOM 876 CE1 TYR A 455 11.127 -2.551 3.678 1.00 0.22 C ATOM 877 CE2 TYR A 455 12.531 -2.769 1.760 1.00 0.30 C ATOM 878 CZ TYR A 455 12.346 -2.343 3.039 1.00 0.26 C ATOM 879 OH TYR A 455 13.371 -1.767 3.753 1.00 0.29 O ATOM 0 H TYR A 455 10.101 -6.331 -0.712 1.00 0.16 H new ATOM 0 HA TYR A 455 9.177 -6.052 2.067 1.00 0.16 H new ATOM 0 HB2 TYR A 455 9.182 -3.942 -0.125 1.00 0.23 H new ATOM 0 HB3 TYR A 455 8.176 -3.831 1.306 1.00 0.23 H new ATOM 0 HD1 TYR A 455 9.143 -3.294 3.476 1.00 0.20 H new ATOM 0 HD2 TYR A 455 11.643 -3.688 0.052 1.00 0.28 H new ATOM 0 HE1 TYR A 455 10.991 -2.247 4.706 1.00 0.22 H new ATOM 0 HE2 TYR A 455 13.491 -2.639 1.282 1.00 0.30 H new ATOM 0 HH TYR A 455 13.702 -2.403 4.421 1.00 0.29 H new ATOM 889 N ASN A 456 6.969 -6.874 1.347 1.00 0.12 N ATOM 890 CA ASN A 456 5.627 -7.300 0.981 1.00 0.12 C ATOM 891 C ASN A 456 4.669 -6.149 1.187 1.00 0.13 C ATOM 892 O ASN A 456 4.315 -5.803 2.316 1.00 0.15 O ATOM 893 CB ASN A 456 5.177 -8.517 1.797 1.00 0.14 C ATOM 894 CG ASN A 456 3.920 -9.171 1.209 1.00 0.17 C ATOM 895 OD1 ASN A 456 3.609 -8.971 0.036 1.00 0.17 O ATOM 896 ND2 ASN A 456 3.207 -9.989 1.991 1.00 0.20 N ATOM 0 H ASN A 456 7.230 -7.082 2.311 1.00 0.12 H new ATOM 0 HA ASN A 456 5.633 -7.597 -0.068 1.00 0.12 H new ATOM 0 HB2 ASN A 456 5.984 -9.249 1.831 1.00 0.14 H new ATOM 0 HB3 ASN A 456 4.980 -8.212 2.825 1.00 0.14 H new ATOM 0 HD21 ASN A 456 2.385 -10.463 1.618 1.00 0.20 H new ATOM 0 HD22 ASN A 456 3.485 -10.139 2.961 1.00 0.20 H new ATOM 903 N ILE A 457 4.284 -5.547 0.085 1.00 0.13 N ATOM 904 CA ILE A 457 3.463 -4.362 0.097 1.00 0.14 C ATOM 905 C ILE A 457 1.985 -4.729 0.095 1.00 0.14 C ATOM 906 O ILE A 457 1.465 -5.287 -0.873 1.00 0.18 O ATOM 907 CB ILE A 457 3.801 -3.477 -1.116 1.00 0.16 C ATOM 908 CG1 ILE A 457 5.202 -2.880 -0.948 1.00 0.19 C ATOM 909 CG2 ILE A 457 2.758 -2.372 -1.294 1.00 0.18 C ATOM 910 CD1 ILE A 457 5.625 -1.974 -2.084 1.00 0.22 C ATOM 0 H ILE A 457 4.534 -5.869 -0.850 1.00 0.13 H new ATOM 0 HA ILE A 457 3.671 -3.804 1.010 1.00 0.14 H new ATOM 0 HB ILE A 457 3.786 -4.094 -2.014 1.00 0.16 H new ATOM 0 HG12 ILE A 457 5.236 -2.317 -0.015 1.00 0.19 H new ATOM 0 HG13 ILE A 457 5.923 -3.692 -0.857 1.00 0.19 H new ATOM 0 HG21 ILE A 457 3.020 -1.761 -2.158 1.00 0.18 H new ATOM 0 HG22 ILE A 457 1.777 -2.820 -1.450 1.00 0.18 H new ATOM 0 HG23 ILE A 457 2.734 -1.747 -0.401 1.00 0.18 H new ATOM 0 HD11 ILE A 457 6.627 -1.592 -1.891 1.00 0.22 H new ATOM 0 HD12 ILE A 457 5.625 -2.537 -3.017 1.00 0.22 H new ATOM 0 HD13 ILE A 457 4.928 -1.140 -2.163 1.00 0.22 H new ATOM 922 N ILE A 458 1.325 -4.431 1.199 1.00 0.16 N ATOM 923 CA ILE A 458 -0.090 -4.713 1.353 1.00 0.18 C ATOM 924 C ILE A 458 -0.865 -3.417 1.503 1.00 0.20 C ATOM 925 O ILE A 458 -0.516 -2.579 2.320 1.00 0.29 O ATOM 926 CB ILE A 458 -0.339 -5.615 2.573 1.00 0.22 C ATOM 927 CG1 ILE A 458 0.247 -6.996 2.314 1.00 0.21 C ATOM 928 CG2 ILE A 458 -1.822 -5.714 2.885 1.00 0.29 C ATOM 929 CD1 ILE A 458 0.050 -7.959 3.451 1.00 0.27 C ATOM 0 H ILE A 458 1.753 -3.988 2.012 1.00 0.16 H new ATOM 0 HA ILE A 458 -0.433 -5.237 0.461 1.00 0.18 H new ATOM 0 HB ILE A 458 0.152 -5.174 3.440 1.00 0.22 H new ATOM 0 HG12 ILE A 458 -0.208 -7.411 1.415 1.00 0.21 H new ATOM 0 HG13 ILE A 458 1.314 -6.897 2.114 1.00 0.21 H new ATOM 0 HG21 ILE A 458 -1.969 -6.358 3.752 1.00 0.29 H new ATOM 0 HG22 ILE A 458 -2.216 -4.721 3.100 1.00 0.29 H new ATOM 0 HG23 ILE A 458 -2.347 -6.135 2.027 1.00 0.29 H new ATOM 0 HD11 ILE A 458 0.493 -8.921 3.194 1.00 0.27 H new ATOM 0 HD12 ILE A 458 0.530 -7.566 4.348 1.00 0.27 H new ATOM 0 HD13 ILE A 458 -1.016 -8.089 3.637 1.00 0.27 H new ATOM 941 N VAL A 459 -1.906 -3.246 0.713 1.00 0.17 N ATOM 942 CA VAL A 459 -2.689 -2.028 0.760 1.00 0.18 C ATOM 943 C VAL A 459 -4.073 -2.328 1.311 1.00 0.18 C ATOM 944 O VAL A 459 -4.782 -3.188 0.782 1.00 0.23 O ATOM 945 CB VAL A 459 -2.829 -1.393 -0.637 1.00 0.19 C ATOM 946 CG1 VAL A 459 -3.400 0.010 -0.535 1.00 0.20 C ATOM 947 CG2 VAL A 459 -1.502 -1.395 -1.383 1.00 0.20 C ATOM 0 H VAL A 459 -2.229 -3.934 0.032 1.00 0.17 H new ATOM 0 HA VAL A 459 -2.170 -1.323 1.409 1.00 0.18 H new ATOM 0 HB VAL A 459 -3.527 -2.001 -1.213 1.00 0.19 H new ATOM 0 HG11 VAL A 459 -3.490 0.439 -1.533 1.00 0.20 H new ATOM 0 HG12 VAL A 459 -4.384 -0.031 -0.067 1.00 0.20 H new ATOM 0 HG13 VAL A 459 -2.737 0.630 0.068 1.00 0.20 H new ATOM 0 HG21 VAL A 459 -1.636 -0.940 -2.365 1.00 0.20 H new ATOM 0 HG22 VAL A 459 -0.765 -0.825 -0.817 1.00 0.20 H new ATOM 0 HG23 VAL A 459 -1.154 -2.421 -1.503 1.00 0.20 H new ATOM 957 N GLU A 460 -4.449 -1.633 2.373 1.00 0.18 N ATOM 958 CA GLU A 460 -5.745 -1.838 2.991 1.00 0.22 C ATOM 959 C GLU A 460 -6.550 -0.545 2.970 1.00 0.21 C ATOM 960 O GLU A 460 -6.078 0.510 3.400 1.00 0.30 O ATOM 961 CB GLU A 460 -5.592 -2.342 4.424 1.00 0.30 C ATOM 962 CG GLU A 460 -4.836 -3.656 4.546 1.00 0.36 C ATOM 963 CD GLU A 460 -4.683 -4.101 5.984 1.00 0.60 C ATOM 964 OE1 GLU A 460 -3.880 -3.484 6.719 1.00 0.79 O ATOM 965 OE2 GLU A 460 -5.362 -5.065 6.392 1.00 0.82 O ATOM 0 H GLU A 460 -3.873 -0.922 2.824 1.00 0.18 H new ATOM 0 HA GLU A 460 -6.279 -2.596 2.418 1.00 0.22 H new ATOM 0 HB2 GLU A 460 -5.075 -1.583 5.011 1.00 0.30 H new ATOM 0 HB3 GLU A 460 -6.583 -2.464 4.862 1.00 0.30 H new ATOM 0 HG2 GLU A 460 -5.361 -4.428 3.983 1.00 0.36 H new ATOM 0 HG3 GLU A 460 -3.850 -3.548 4.095 1.00 0.36 H new ATOM 972 N ALA A 461 -7.759 -0.637 2.455 1.00 0.16 N ATOM 973 CA ALA A 461 -8.630 0.519 2.317 1.00 0.15 C ATOM 974 C ALA A 461 -9.444 0.771 3.564 1.00 0.14 C ATOM 975 O ALA A 461 -10.241 -0.069 3.980 1.00 0.17 O ATOM 976 CB ALA A 461 -9.553 0.334 1.128 1.00 0.16 C ATOM 0 H ALA A 461 -8.167 -1.510 2.121 1.00 0.16 H new ATOM 0 HA ALA A 461 -7.993 1.390 2.159 1.00 0.15 H new ATOM 0 HB1 ALA A 461 -10.202 1.205 1.032 1.00 0.16 H new ATOM 0 HB2 ALA A 461 -8.960 0.222 0.221 1.00 0.16 H new ATOM 0 HB3 ALA A 461 -10.162 -0.558 1.275 1.00 0.16 H new ATOM 982 N LEU A 462 -9.245 1.941 4.137 1.00 0.16 N ATOM 983 CA LEU A 462 -10.014 2.378 5.275 1.00 0.20 C ATOM 984 C LEU A 462 -11.359 2.879 4.771 1.00 0.22 C ATOM 985 O LEU A 462 -11.453 3.954 4.181 1.00 0.24 O ATOM 986 CB LEU A 462 -9.283 3.486 6.032 1.00 0.25 C ATOM 987 CG LEU A 462 -9.501 3.463 7.546 1.00 0.34 C ATOM 988 CD1 LEU A 462 -8.622 4.472 8.247 1.00 0.85 C ATOM 989 CD2 LEU A 462 -10.949 3.717 7.894 1.00 0.78 C ATOM 0 H LEU A 462 -8.544 2.613 3.823 1.00 0.16 H new ATOM 0 HA LEU A 462 -10.155 1.547 5.967 1.00 0.20 H new ATOM 0 HB2 LEU A 462 -8.215 3.405 5.829 1.00 0.25 H new ATOM 0 HB3 LEU A 462 -9.609 4.451 5.644 1.00 0.25 H new ATOM 0 HG LEU A 462 -9.227 2.466 7.892 1.00 0.34 H new ATOM 0 HD11 LEU A 462 -8.803 4.428 9.321 1.00 0.85 H new ATOM 0 HD12 LEU A 462 -7.575 4.244 8.046 1.00 0.85 H new ATOM 0 HD13 LEU A 462 -8.853 5.472 7.881 1.00 0.85 H new ATOM 0 HD21 LEU A 462 -11.072 3.694 8.977 1.00 0.78 H new ATOM 0 HD22 LEU A 462 -11.248 4.694 7.515 1.00 0.78 H new ATOM 0 HD23 LEU A 462 -11.573 2.946 7.442 1.00 0.78 H new ATOM 1001 N LYS A 463 -12.386 2.089 4.985 1.00 0.23 N ATOM 1002 CA LYS A 463 -13.694 2.372 4.445 1.00 0.30 C ATOM 1003 C LYS A 463 -14.737 1.970 5.478 1.00 0.40 C ATOM 1004 O LYS A 463 -15.051 0.787 5.620 1.00 0.50 O ATOM 1005 CB LYS A 463 -13.854 1.601 3.124 1.00 0.31 C ATOM 1006 CG LYS A 463 -15.167 1.819 2.374 1.00 0.38 C ATOM 1007 CD LYS A 463 -15.372 3.263 1.914 1.00 0.42 C ATOM 1008 CE LYS A 463 -16.439 3.980 2.739 1.00 0.95 C ATOM 1009 NZ LYS A 463 -16.697 5.358 2.246 1.00 1.62 N ATOM 0 H LYS A 463 -12.337 1.233 5.538 1.00 0.23 H new ATOM 0 HA LYS A 463 -13.823 3.433 4.231 1.00 0.30 H new ATOM 0 HB2 LYS A 463 -13.032 1.877 2.464 1.00 0.31 H new ATOM 0 HB3 LYS A 463 -13.751 0.536 3.333 1.00 0.31 H new ATOM 0 HG2 LYS A 463 -15.194 1.162 1.505 1.00 0.38 H new ATOM 0 HG3 LYS A 463 -15.997 1.530 3.018 1.00 0.38 H new ATOM 0 HD2 LYS A 463 -14.429 3.805 1.990 1.00 0.42 H new ATOM 0 HD3 LYS A 463 -15.660 3.271 0.863 1.00 0.42 H new ATOM 0 HE2 LYS A 463 -17.365 3.406 2.710 1.00 0.95 H new ATOM 0 HE3 LYS A 463 -16.123 4.022 3.781 1.00 0.95 H new ATOM 0 HZ1 LYS A 463 -16.824 5.998 3.056 1.00 1.62 H new ATOM 0 HZ2 LYS A 463 -15.890 5.679 1.674 1.00 1.62 H new ATOM 0 HZ3 LYS A 463 -17.558 5.363 1.663 1.00 1.62 H new ATOM 1023 N ASP A 464 -15.234 2.961 6.228 1.00 0.58 N ATOM 1024 CA ASP A 464 -16.165 2.690 7.372 1.00 0.61 C ATOM 1025 C ASP A 464 -15.513 1.866 8.489 1.00 0.51 C ATOM 1026 O ASP A 464 -15.778 0.671 8.614 1.00 0.53 O ATOM 1027 CB ASP A 464 -17.448 1.971 6.975 1.00 0.72 C ATOM 1028 CG ASP A 464 -18.246 2.704 5.919 1.00 1.08 C ATOM 1029 OD1 ASP A 464 -18.174 2.316 4.729 1.00 1.85 O ATOM 1030 OD2 ASP A 464 -18.948 3.673 6.266 1.00 1.15 O ATOM 0 H ASP A 464 -15.022 3.948 6.081 1.00 0.58 H new ATOM 0 HA ASP A 464 -16.411 3.690 7.728 1.00 0.61 H new ATOM 0 HB2 ASP A 464 -17.199 0.976 6.606 1.00 0.72 H new ATOM 0 HB3 ASP A 464 -18.069 1.836 7.861 1.00 0.72 H new ATOM 1035 N GLN A 465 -14.699 2.523 9.302 1.00 0.52 N ATOM 1036 CA GLN A 465 -13.872 1.913 10.350 1.00 0.49 C ATOM 1037 C GLN A 465 -12.939 0.771 9.897 1.00 0.44 C ATOM 1038 O GLN A 465 -11.939 0.499 10.565 1.00 0.66 O ATOM 1039 CB GLN A 465 -14.760 1.407 11.483 1.00 0.56 C ATOM 1040 CG GLN A 465 -15.682 2.470 12.046 1.00 0.67 C ATOM 1041 CD GLN A 465 -16.394 2.012 13.304 1.00 0.78 C ATOM 1042 OE1 GLN A 465 -15.865 1.203 14.071 1.00 1.32 O ATOM 1043 NE2 GLN A 465 -17.599 2.513 13.521 1.00 1.39 N ATOM 0 H GLN A 465 -14.587 3.536 9.253 1.00 0.52 H new ATOM 0 HA GLN A 465 -13.210 2.716 10.674 1.00 0.49 H new ATOM 0 HB2 GLN A 465 -15.359 0.572 11.120 1.00 0.56 H new ATOM 0 HB3 GLN A 465 -14.130 1.022 12.284 1.00 0.56 H new ATOM 0 HG2 GLN A 465 -15.105 3.368 12.265 1.00 0.67 H new ATOM 0 HG3 GLN A 465 -16.421 2.742 11.292 1.00 0.67 H new ATOM 0 HE21 GLN A 465 -18.000 3.180 12.862 1.00 1.39 H new ATOM 0 HE22 GLN A 465 -18.127 2.233 14.348 1.00 1.39 H new ATOM 1052 N GLN A 466 -13.230 0.123 8.783 1.00 0.36 N ATOM 1053 CA GLN A 466 -12.514 -1.093 8.417 1.00 0.36 C ATOM 1054 C GLN A 466 -11.458 -0.844 7.368 1.00 0.28 C ATOM 1055 O GLN A 466 -11.446 0.185 6.700 1.00 0.29 O ATOM 1056 CB GLN A 466 -13.485 -2.158 7.917 1.00 0.54 C ATOM 1057 CG GLN A 466 -14.413 -2.673 8.988 1.00 1.20 C ATOM 1058 CD GLN A 466 -15.493 -3.581 8.437 1.00 1.42 C ATOM 1059 OE1 GLN A 466 -16.568 -3.123 8.049 1.00 1.60 O ATOM 1060 NE2 GLN A 466 -15.220 -4.875 8.404 1.00 2.13 N ATOM 0 H GLN A 466 -13.949 0.412 8.120 1.00 0.36 H new ATOM 0 HA GLN A 466 -12.014 -1.445 9.319 1.00 0.36 H new ATOM 0 HB2 GLN A 466 -14.078 -1.744 7.101 1.00 0.54 H new ATOM 0 HB3 GLN A 466 -12.917 -2.993 7.507 1.00 0.54 H new ATOM 0 HG2 GLN A 466 -13.834 -3.216 9.735 1.00 1.20 H new ATOM 0 HG3 GLN A 466 -14.878 -1.829 9.497 1.00 1.20 H new ATOM 0 HE21 GLN A 466 -14.317 -5.214 8.735 1.00 2.13 H new ATOM 0 HE22 GLN A 466 -15.913 -5.533 8.047 1.00 2.13 H new ATOM 1069 N ARG A 467 -10.581 -1.820 7.239 1.00 0.33 N ATOM 1070 CA ARG A 467 -9.479 -1.768 6.297 1.00 0.30 C ATOM 1071 C ARG A 467 -9.507 -3.004 5.404 1.00 0.33 C ATOM 1072 O ARG A 467 -9.328 -4.127 5.871 1.00 0.51 O ATOM 1073 CB ARG A 467 -8.156 -1.666 7.055 1.00 0.36 C ATOM 1074 CG ARG A 467 -8.065 -0.426 7.929 1.00 0.34 C ATOM 1075 CD ARG A 467 -6.906 -0.522 8.905 1.00 0.43 C ATOM 1076 NE ARG A 467 -6.735 0.701 9.687 1.00 1.24 N ATOM 1077 CZ ARG A 467 -5.585 1.063 10.259 1.00 1.67 C ATOM 1078 NH1 ARG A 467 -4.505 0.296 10.143 1.00 1.51 N ATOM 1079 NH2 ARG A 467 -5.518 2.194 10.951 1.00 2.58 N ATOM 0 H ARG A 467 -10.613 -2.678 7.789 1.00 0.33 H new ATOM 0 HA ARG A 467 -9.578 -0.886 5.664 1.00 0.30 H new ATOM 0 HB2 ARG A 467 -8.031 -2.552 7.677 1.00 0.36 H new ATOM 0 HB3 ARG A 467 -7.334 -1.660 6.340 1.00 0.36 H new ATOM 0 HG2 ARG A 467 -7.942 0.456 7.301 1.00 0.34 H new ATOM 0 HG3 ARG A 467 -8.997 -0.297 8.480 1.00 0.34 H new ATOM 0 HD2 ARG A 467 -7.071 -1.362 9.580 1.00 0.43 H new ATOM 0 HD3 ARG A 467 -5.988 -0.730 8.356 1.00 0.43 H new ATOM 0 HE ARG A 467 -7.542 1.314 9.802 1.00 1.24 H new ATOM 0 HH11 ARG A 467 -4.552 -0.575 9.614 1.00 1.51 H new ATOM 0 HH12 ARG A 467 -3.629 0.579 10.583 1.00 1.51 H new ATOM 0 HH21 ARG A 467 -6.345 2.784 11.045 1.00 2.58 H new ATOM 0 HH22 ARG A 467 -4.640 2.473 11.389 1.00 2.58 H new ATOM 1093 N HIS A 468 -9.742 -2.781 4.121 1.00 0.28 N ATOM 1094 CA HIS A 468 -9.976 -3.872 3.172 1.00 0.32 C ATOM 1095 C HIS A 468 -8.717 -4.160 2.331 1.00 0.24 C ATOM 1096 O HIS A 468 -8.139 -3.229 1.774 1.00 0.27 O ATOM 1097 CB HIS A 468 -11.121 -3.510 2.211 1.00 0.44 C ATOM 1098 CG HIS A 468 -12.444 -3.225 2.862 1.00 0.75 C ATOM 1099 ND1 HIS A 468 -13.553 -4.021 2.679 1.00 1.02 N ATOM 1100 CD2 HIS A 468 -12.851 -2.200 3.653 1.00 1.01 C ATOM 1101 CE1 HIS A 468 -14.579 -3.502 3.323 1.00 1.26 C ATOM 1102 NE2 HIS A 468 -14.181 -2.398 3.923 1.00 1.25 N ATOM 0 H HIS A 468 -9.777 -1.850 3.705 1.00 0.28 H new ATOM 0 HA HIS A 468 -10.235 -4.756 3.755 1.00 0.32 H new ATOM 0 HB2 HIS A 468 -10.824 -2.635 1.633 1.00 0.44 H new ATOM 0 HB3 HIS A 468 -11.252 -4.330 1.504 1.00 0.44 H new ATOM 0 HD2 HIS A 468 -12.241 -1.381 4.004 1.00 1.01 H new ATOM 0 HE1 HIS A 468 -15.578 -3.912 3.354 1.00 1.26 H new ATOM 0 HE2 HIS A 468 -14.767 -1.790 4.495 1.00 1.25 H new ATOM 1111 N LYS A 469 -8.288 -5.431 2.245 1.00 0.27 N ATOM 1112 CA LYS A 469 -7.206 -5.817 1.286 1.00 0.40 C ATOM 1113 C LYS A 469 -7.557 -5.347 -0.122 1.00 0.29 C ATOM 1114 O LYS A 469 -8.563 -5.766 -0.696 1.00 0.37 O ATOM 1115 CB LYS A 469 -6.936 -7.335 1.207 1.00 0.80 C ATOM 1116 CG LYS A 469 -5.934 -7.716 0.123 1.00 0.70 C ATOM 1117 CD LYS A 469 -4.491 -7.359 0.465 1.00 0.70 C ATOM 1118 CE LYS A 469 -3.940 -8.214 1.603 1.00 0.41 C ATOM 1119 NZ LYS A 469 -4.098 -9.670 1.354 1.00 0.84 N ATOM 0 H LYS A 469 -8.654 -6.200 2.806 1.00 0.27 H new ATOM 0 HA LYS A 469 -6.307 -5.335 1.671 1.00 0.40 H new ATOM 0 HB2 LYS A 469 -6.565 -7.681 2.172 1.00 0.80 H new ATOM 0 HB3 LYS A 469 -7.876 -7.855 1.021 1.00 0.80 H new ATOM 0 HG2 LYS A 469 -6.000 -8.789 -0.058 1.00 0.70 H new ATOM 0 HG3 LYS A 469 -6.211 -7.218 -0.806 1.00 0.70 H new ATOM 0 HD2 LYS A 469 -3.867 -7.488 -0.419 1.00 0.70 H new ATOM 0 HD3 LYS A 469 -4.435 -6.307 0.743 1.00 0.70 H new ATOM 0 HE2 LYS A 469 -2.883 -7.986 1.744 1.00 0.41 H new ATOM 0 HE3 LYS A 469 -4.450 -7.951 2.530 1.00 0.41 H new ATOM 0 HZ1 LYS A 469 -4.812 -10.058 2.003 1.00 0.84 H new ATOM 0 HZ2 LYS A 469 -4.403 -9.823 0.372 1.00 0.84 H new ATOM 0 HZ3 LYS A 469 -3.189 -10.150 1.513 1.00 0.84 H new ATOM 1133 N VAL A 470 -6.728 -4.481 -0.667 1.00 0.23 N ATOM 1134 CA VAL A 470 -6.891 -4.016 -2.033 1.00 0.18 C ATOM 1135 C VAL A 470 -5.866 -4.665 -2.931 1.00 0.18 C ATOM 1136 O VAL A 470 -6.183 -5.188 -4.001 1.00 0.29 O ATOM 1137 CB VAL A 470 -6.733 -2.496 -2.103 1.00 0.22 C ATOM 1138 CG1 VAL A 470 -6.871 -1.985 -3.532 1.00 0.61 C ATOM 1139 CG2 VAL A 470 -7.742 -1.846 -1.185 1.00 0.59 C ATOM 0 H VAL A 470 -5.926 -4.080 -0.181 1.00 0.23 H new ATOM 0 HA VAL A 470 -7.892 -4.288 -2.369 1.00 0.18 H new ATOM 0 HB VAL A 470 -5.729 -2.230 -1.772 1.00 0.22 H new ATOM 0 HG11 VAL A 470 -6.753 -0.901 -3.544 1.00 0.61 H new ATOM 0 HG12 VAL A 470 -6.103 -2.440 -4.157 1.00 0.61 H new ATOM 0 HG13 VAL A 470 -7.856 -2.247 -3.919 1.00 0.61 H new ATOM 0 HG21 VAL A 470 -7.632 -0.763 -1.232 1.00 0.59 H new ATOM 0 HG22 VAL A 470 -8.749 -2.123 -1.497 1.00 0.59 H new ATOM 0 HG23 VAL A 470 -7.574 -2.183 -0.162 1.00 0.59 H new ATOM 1149 N ARG A 471 -4.634 -4.638 -2.473 1.00 0.17 N ATOM 1150 CA ARG A 471 -3.529 -5.171 -3.228 1.00 0.19 C ATOM 1151 C ARG A 471 -2.447 -5.666 -2.287 1.00 0.18 C ATOM 1152 O ARG A 471 -2.178 -5.046 -1.261 1.00 0.22 O ATOM 1153 CB ARG A 471 -2.979 -4.109 -4.176 1.00 0.28 C ATOM 1154 CG ARG A 471 -1.715 -4.552 -4.885 1.00 0.77 C ATOM 1155 CD ARG A 471 -1.681 -4.081 -6.319 1.00 0.52 C ATOM 1156 NE ARG A 471 -0.522 -4.627 -7.030 1.00 1.18 N ATOM 1157 CZ ARG A 471 0.029 -4.079 -8.112 1.00 1.45 C ATOM 1158 NH1 ARG A 471 -0.461 -2.959 -8.623 1.00 1.39 N ATOM 1159 NH2 ARG A 471 1.084 -4.653 -8.678 1.00 2.13 N ATOM 0 H ARG A 471 -4.373 -4.246 -1.568 1.00 0.17 H new ATOM 0 HA ARG A 471 -3.878 -6.014 -3.824 1.00 0.19 H new ATOM 0 HB2 ARG A 471 -3.739 -3.862 -4.918 1.00 0.28 H new ATOM 0 HB3 ARG A 471 -2.774 -3.198 -3.614 1.00 0.28 H new ATOM 0 HG2 ARG A 471 -0.846 -4.164 -4.354 1.00 0.77 H new ATOM 0 HG3 ARG A 471 -1.645 -5.639 -4.858 1.00 0.77 H new ATOM 0 HD2 ARG A 471 -2.597 -4.384 -6.826 1.00 0.52 H new ATOM 0 HD3 ARG A 471 -1.647 -2.992 -6.346 1.00 0.52 H new ATOM 0 HE ARG A 471 -0.108 -5.487 -6.671 1.00 1.18 H new ATOM 0 HH11 ARG A 471 -1.266 -2.509 -8.188 1.00 1.39 H new ATOM 0 HH12 ARG A 471 -0.033 -2.546 -9.452 1.00 1.39 H new ATOM 0 HH21 ARG A 471 1.470 -5.511 -8.284 1.00 2.13 H new ATOM 0 HH22 ARG A 471 1.508 -4.236 -9.507 1.00 2.13 H new ATOM 1173 N GLU A 472 -1.865 -6.798 -2.623 1.00 0.20 N ATOM 1174 CA GLU A 472 -0.745 -7.336 -1.874 1.00 0.18 C ATOM 1175 C GLU A 472 0.289 -7.882 -2.832 1.00 0.18 C ATOM 1176 O GLU A 472 -0.037 -8.667 -3.726 1.00 0.21 O ATOM 1177 CB GLU A 472 -1.194 -8.432 -0.909 1.00 0.21 C ATOM 1178 CG GLU A 472 -0.089 -9.424 -0.584 1.00 0.21 C ATOM 1179 CD GLU A 472 -0.408 -10.315 0.597 1.00 0.29 C ATOM 1180 OE1 GLU A 472 0.536 -10.742 1.296 1.00 0.62 O ATOM 1181 OE2 GLU A 472 -1.601 -10.611 0.821 1.00 0.65 O ATOM 0 H GLU A 472 -2.151 -7.369 -3.418 1.00 0.20 H new ATOM 0 HA GLU A 472 -0.310 -6.530 -1.283 1.00 0.18 H new ATOM 0 HB2 GLU A 472 -1.547 -7.973 0.015 1.00 0.21 H new ATOM 0 HB3 GLU A 472 -2.039 -8.967 -1.342 1.00 0.21 H new ATOM 0 HG2 GLU A 472 0.099 -10.047 -1.459 1.00 0.21 H new ATOM 0 HG3 GLU A 472 0.831 -8.877 -0.379 1.00 0.21 H new ATOM 1188 N GLU A 473 1.525 -7.466 -2.659 1.00 0.16 N ATOM 1189 CA GLU A 473 2.575 -7.889 -3.558 1.00 0.17 C ATOM 1190 C GLU A 473 3.940 -7.683 -2.967 1.00 0.20 C ATOM 1191 O GLU A 473 4.221 -6.656 -2.353 1.00 0.26 O ATOM 1192 CB GLU A 473 2.446 -7.152 -4.896 1.00 0.23 C ATOM 1193 CG GLU A 473 3.541 -7.473 -5.894 1.00 0.27 C ATOM 1194 CD GLU A 473 3.387 -6.706 -7.189 1.00 1.24 C ATOM 1195 OE1 GLU A 473 4.295 -5.918 -7.525 1.00 2.26 O ATOM 1196 OE2 GLU A 473 2.354 -6.882 -7.876 1.00 1.25 O ATOM 0 H GLU A 473 1.825 -6.841 -1.911 1.00 0.16 H new ATOM 0 HA GLU A 473 2.459 -8.960 -3.726 1.00 0.17 H new ATOM 0 HB2 GLU A 473 1.482 -7.398 -5.341 1.00 0.23 H new ATOM 0 HB3 GLU A 473 2.446 -6.078 -4.707 1.00 0.23 H new ATOM 0 HG2 GLU A 473 4.510 -7.242 -5.452 1.00 0.27 H new ATOM 0 HG3 GLU A 473 3.533 -8.542 -6.106 1.00 0.27 H new ATOM 1203 N VAL A 474 4.796 -8.666 -3.170 1.00 0.24 N ATOM 1204 CA VAL A 474 6.123 -8.589 -2.642 1.00 0.28 C ATOM 1205 C VAL A 474 7.051 -7.958 -3.661 1.00 0.21 C ATOM 1206 O VAL A 474 7.127 -8.400 -4.807 1.00 0.28 O ATOM 1207 CB VAL A 474 6.691 -9.960 -2.245 1.00 0.49 C ATOM 1208 CG1 VAL A 474 7.886 -9.797 -1.327 1.00 0.80 C ATOM 1209 CG2 VAL A 474 5.630 -10.832 -1.599 1.00 1.22 C ATOM 0 H VAL A 474 4.589 -9.516 -3.694 1.00 0.24 H new ATOM 0 HA VAL A 474 6.061 -7.979 -1.741 1.00 0.28 H new ATOM 0 HB VAL A 474 7.021 -10.461 -3.155 1.00 0.49 H new ATOM 0 HG11 VAL A 474 8.274 -10.779 -1.057 1.00 0.80 H new ATOM 0 HG12 VAL A 474 8.663 -9.228 -1.838 1.00 0.80 H new ATOM 0 HG13 VAL A 474 7.582 -9.266 -0.425 1.00 0.80 H new ATOM 0 HG21 VAL A 474 6.065 -11.795 -1.330 1.00 1.22 H new ATOM 0 HG22 VAL A 474 5.252 -10.341 -0.702 1.00 1.22 H new ATOM 0 HG23 VAL A 474 4.810 -10.987 -2.300 1.00 1.22 H new ATOM 1219 N VAL A 475 7.730 -6.910 -3.249 1.00 0.19 N ATOM 1220 CA VAL A 475 8.669 -6.232 -4.110 1.00 0.19 C ATOM 1221 C VAL A 475 10.003 -6.080 -3.448 1.00 0.19 C ATOM 1222 O VAL A 475 10.121 -5.662 -2.300 1.00 0.26 O ATOM 1223 CB VAL A 475 8.201 -4.827 -4.507 1.00 0.22 C ATOM 1224 CG1 VAL A 475 8.544 -4.561 -5.953 1.00 0.41 C ATOM 1225 CG2 VAL A 475 6.714 -4.628 -4.252 1.00 0.32 C ATOM 0 H VAL A 475 7.647 -6.508 -2.315 1.00 0.19 H new ATOM 0 HA VAL A 475 8.743 -6.857 -5.000 1.00 0.19 H new ATOM 0 HB VAL A 475 8.726 -4.107 -3.879 1.00 0.22 H new ATOM 0 HG11 VAL A 475 8.209 -3.561 -6.228 1.00 0.41 H new ATOM 0 HG12 VAL A 475 9.623 -4.633 -6.090 1.00 0.41 H new ATOM 0 HG13 VAL A 475 8.048 -5.297 -6.586 1.00 0.41 H new ATOM 0 HG21 VAL A 475 6.426 -3.619 -4.548 1.00 0.32 H new ATOM 0 HG22 VAL A 475 6.145 -5.353 -4.834 1.00 0.32 H new ATOM 0 HG23 VAL A 475 6.505 -4.769 -3.192 1.00 0.32 H new ATOM 1235 N THR A 476 10.993 -6.442 -4.199 1.00 0.24 N ATOM 1236 CA THR A 476 12.350 -6.151 -3.878 1.00 0.24 C ATOM 1237 C THR A 476 12.678 -4.753 -4.377 1.00 0.26 C ATOM 1238 O THR A 476 12.304 -4.370 -5.489 1.00 0.33 O ATOM 1239 CB THR A 476 13.224 -7.183 -4.560 1.00 0.31 C ATOM 1240 OG1 THR A 476 13.010 -8.466 -3.954 1.00 0.32 O ATOM 1241 CG2 THR A 476 14.700 -6.807 -4.505 1.00 0.38 C ATOM 0 H THR A 476 10.876 -6.959 -5.071 1.00 0.24 H new ATOM 0 HA THR A 476 12.521 -6.187 -2.802 1.00 0.24 H new ATOM 0 HB THR A 476 12.943 -7.222 -5.613 1.00 0.31 H new ATOM 0 HG1 THR A 476 13.574 -9.135 -4.396 1.00 0.32 H new ATOM 0 HG21 THR A 476 15.290 -7.575 -5.006 1.00 0.38 H new ATOM 0 HG22 THR A 476 14.851 -5.850 -5.005 1.00 0.38 H new ATOM 0 HG23 THR A 476 15.017 -6.727 -3.465 1.00 0.38 H new ATOM 1249 N VAL A 477 13.356 -4.001 -3.551 1.00 0.25 N ATOM 1250 CA VAL A 477 13.554 -2.592 -3.797 1.00 0.29 C ATOM 1251 C VAL A 477 14.966 -2.305 -4.298 1.00 0.33 C ATOM 1252 O VAL A 477 15.936 -2.850 -3.780 1.00 0.37 O ATOM 1253 CB VAL A 477 13.264 -1.826 -2.497 1.00 0.28 C ATOM 1254 CG1 VAL A 477 13.621 -0.358 -2.615 1.00 0.35 C ATOM 1255 CG2 VAL A 477 11.802 -1.990 -2.130 1.00 0.31 C ATOM 0 H VAL A 477 13.786 -4.343 -2.692 1.00 0.25 H new ATOM 0 HA VAL A 477 12.871 -2.263 -4.580 1.00 0.29 H new ATOM 0 HB VAL A 477 13.889 -2.245 -1.708 1.00 0.28 H new ATOM 0 HG11 VAL A 477 13.401 0.147 -1.674 1.00 0.35 H new ATOM 0 HG12 VAL A 477 14.683 -0.259 -2.840 1.00 0.35 H new ATOM 0 HG13 VAL A 477 13.037 0.095 -3.416 1.00 0.35 H new ATOM 0 HG21 VAL A 477 11.595 -1.447 -1.208 1.00 0.31 H new ATOM 0 HG22 VAL A 477 11.179 -1.594 -2.932 1.00 0.31 H new ATOM 0 HG23 VAL A 477 11.579 -3.047 -1.986 1.00 0.31 H new ATOM 1265 N GLY A 478 15.068 -1.463 -5.320 1.00 0.43 N ATOM 1266 CA GLY A 478 16.369 -1.058 -5.823 1.00 0.53 C ATOM 1267 C GLY A 478 16.513 -1.232 -7.332 1.00 1.15 C ATOM 1268 O GLY A 478 16.347 -0.261 -8.072 1.00 1.69 O ATOM 0 H GLY A 478 14.273 -1.053 -5.810 1.00 0.43 H new ATOM 0 HA2 GLY A 478 16.541 -0.013 -5.567 1.00 0.53 H new ATOM 0 HA3 GLY A 478 17.142 -1.640 -5.322 1.00 0.53 H new ATOM 1272 N ASN A 479 16.803 -2.459 -7.797 1.00 1.80 N ATOM 1273 CA ASN A 479 17.069 -2.703 -9.223 1.00 2.82 C ATOM 1274 C ASN A 479 17.541 -4.131 -9.397 1.00 3.58 C ATOM 1275 O ASN A 479 18.273 -4.446 -10.340 1.00 4.40 O ATOM 1276 CB ASN A 479 18.176 -1.778 -9.773 1.00 3.20 C ATOM 1277 CG ASN A 479 17.914 -1.349 -11.204 1.00 3.99 C ATOM 1278 OD1 ASN A 479 17.347 -0.283 -11.455 1.00 4.47 O ATOM 1279 ND2 ASN A 479 18.312 -2.179 -12.154 1.00 4.61 N ATOM 0 H ASN A 479 16.859 -3.291 -7.210 1.00 1.80 H new ATOM 0 HA ASN A 479 16.144 -2.509 -9.766 1.00 2.82 H new ATOM 0 HB2 ASN A 479 18.254 -0.894 -9.140 1.00 3.20 H new ATOM 0 HB3 ASN A 479 19.135 -2.293 -9.721 1.00 3.20 H new ATOM 0 HD21 ASN A 479 18.153 -1.946 -13.134 1.00 4.61 H new ATOM 0 HD22 ASN A 479 18.778 -3.052 -11.906 1.00 4.61 H new ATOM 1286 N SER A 480 17.129 -5.003 -8.495 1.00 3.56 N ATOM 1287 CA SER A 480 17.830 -6.262 -8.349 1.00 4.40 C ATOM 1288 C SER A 480 16.895 -7.365 -7.853 1.00 4.81 C ATOM 1289 O SER A 480 16.871 -7.637 -6.635 1.00 4.88 O ATOM 1290 CB SER A 480 18.995 -6.009 -7.388 1.00 4.37 C ATOM 1291 OG SER A 480 18.528 -5.578 -6.117 1.00 4.36 O ATOM 1292 OXT SER A 480 16.170 -7.943 -8.692 1.00 5.40 O ATOM 0 H SER A 480 16.335 -4.868 -7.869 1.00 3.56 H new ATOM 0 HA SER A 480 18.207 -6.615 -9.309 1.00 4.40 H new ATOM 0 HB2 SER A 480 19.580 -6.922 -7.273 1.00 4.37 H new ATOM 0 HB3 SER A 480 19.660 -5.255 -7.809 1.00 4.37 H new ATOM 0 HG SER A 480 17.756 -6.120 -5.851 1.00 4.36 H new TER 1298 SER A 480