USER MOD reduce.3.24.130724 H: found=0, std=0, add=379, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 376 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 Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 HIS : no HE2:sc= -0.321 X(o=-0.32,f=-0.69) USER MOD Single : A 10 GLN : amide:sc=-0.000336 X(o=-0.00034,f=0) USER MOD Single : A 12 GLN : amide:sc= -2.01 K(o=-2,f=-0.67) USER MOD Single : A 15 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 19 MET CE :methyl 165:sc= -5.9! (180deg=-7.04!) USER MOD Single : A 23 ASN : amide:sc= -1.13 K(o=-1.1,f=-2.3!) USER MOD Single : A 27 ASN : amide:sc= -0.339 K(o=-0.34,f=-2.7) USER MOD Single : A 29 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 34 THR OG1 : rot 5:sc= -0.238 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 49 SER OG : rot 55:sc= 0.637 USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 8.231 -1.131 10.540 1.00 0.00 N ATOM 2 CA GLY A 1 7.612 0.102 10.998 1.00 0.00 C ATOM 3 C GLY A 1 8.671 1.123 11.418 1.00 0.00 C ATOM 4 O GLY A 1 9.238 1.024 12.505 1.00 0.00 O ATOM 0 H1 GLY A 1 7.492 -1.808 10.261 1.00 0.00 H new ATOM 0 H2 GLY A 1 8.843 -0.930 9.723 1.00 0.00 H new ATOM 0 H3 GLY A 1 8.802 -1.539 11.308 1.00 0.00 H new ATOM 0 HA2 GLY A 1 6.994 0.520 10.204 1.00 0.00 H new ATOM 0 HA3 GLY A 1 6.951 -0.109 11.839 1.00 0.00 H new ATOM 8 N SER A 2 8.905 2.082 10.534 1.00 0.00 N ATOM 9 CA SER A 2 9.885 3.121 10.799 1.00 0.00 C ATOM 10 C SER A 2 9.272 4.499 10.537 1.00 0.00 C ATOM 11 O SER A 2 8.235 4.606 9.884 1.00 0.00 O ATOM 12 CB SER A 2 11.139 2.927 9.944 1.00 0.00 C ATOM 13 OG SER A 2 10.828 2.816 8.558 1.00 0.00 O ATOM 0 H SER A 2 8.433 2.161 9.633 1.00 0.00 H new ATOM 0 HA SER A 2 10.178 3.054 11.847 1.00 0.00 H new ATOM 0 HB2 SER A 2 11.816 3.767 10.097 1.00 0.00 H new ATOM 0 HB3 SER A 2 11.665 2.030 10.270 1.00 0.00 H new ATOM 0 HG SER A 2 11.655 2.695 8.046 1.00 0.00 H new ATOM 19 N SER A 3 9.940 5.517 11.058 1.00 0.00 N ATOM 20 CA SER A 3 9.474 6.883 10.889 1.00 0.00 C ATOM 21 C SER A 3 9.456 7.249 9.403 1.00 0.00 C ATOM 22 O SER A 3 10.263 6.742 8.626 1.00 0.00 O ATOM 23 CB SER A 3 10.351 7.865 11.667 1.00 0.00 C ATOM 24 OG SER A 3 9.982 7.938 13.041 1.00 0.00 O ATOM 0 H SER A 3 10.801 5.424 11.598 1.00 0.00 H new ATOM 0 HA SER A 3 8.461 6.950 11.286 1.00 0.00 H new ATOM 0 HB2 SER A 3 11.395 7.560 11.588 1.00 0.00 H new ATOM 0 HB3 SER A 3 10.273 8.855 11.218 1.00 0.00 H new ATOM 0 HG SER A 3 10.567 8.574 13.503 1.00 0.00 H new ATOM 30 N GLY A 4 8.527 8.127 9.054 1.00 0.00 N ATOM 31 CA GLY A 4 8.394 8.567 7.675 1.00 0.00 C ATOM 32 C GLY A 4 7.712 9.934 7.600 1.00 0.00 C ATOM 33 O GLY A 4 6.528 10.059 7.907 1.00 0.00 O ATOM 0 H GLY A 4 7.859 8.545 9.702 1.00 0.00 H new ATOM 0 HA2 GLY A 4 9.378 8.622 7.210 1.00 0.00 H new ATOM 0 HA3 GLY A 4 7.815 7.836 7.110 1.00 0.00 H new ATOM 37 N SER A 5 8.489 10.925 7.189 1.00 0.00 N ATOM 38 CA SER A 5 7.975 12.279 7.069 1.00 0.00 C ATOM 39 C SER A 5 7.777 12.635 5.594 1.00 0.00 C ATOM 40 O SER A 5 6.668 12.962 5.175 1.00 0.00 O ATOM 41 CB SER A 5 8.915 13.286 7.736 1.00 0.00 C ATOM 42 OG SER A 5 8.618 13.458 9.119 1.00 0.00 O ATOM 0 H SER A 5 9.471 10.818 6.935 1.00 0.00 H new ATOM 0 HA SER A 5 7.013 12.326 7.580 1.00 0.00 H new ATOM 0 HB2 SER A 5 9.945 12.948 7.626 1.00 0.00 H new ATOM 0 HB3 SER A 5 8.838 14.246 7.226 1.00 0.00 H new ATOM 0 HG SER A 5 9.241 14.107 9.509 1.00 0.00 H new ATOM 48 N SER A 6 8.868 12.558 4.847 1.00 0.00 N ATOM 49 CA SER A 6 8.828 12.868 3.428 1.00 0.00 C ATOM 50 C SER A 6 7.905 11.885 2.705 1.00 0.00 C ATOM 51 O SER A 6 7.858 10.705 3.048 1.00 0.00 O ATOM 52 CB SER A 6 10.230 12.829 2.816 1.00 0.00 C ATOM 53 OG SER A 6 10.640 14.108 2.340 1.00 0.00 O ATOM 0 H SER A 6 9.786 12.285 5.198 1.00 0.00 H new ATOM 0 HA SER A 6 8.438 13.879 3.309 1.00 0.00 H new ATOM 0 HB2 SER A 6 10.941 12.475 3.562 1.00 0.00 H new ATOM 0 HB3 SER A 6 10.247 12.114 1.994 1.00 0.00 H new ATOM 0 HG SER A 6 11.540 14.042 1.958 1.00 0.00 H new ATOM 59 N GLY A 7 7.195 12.409 1.716 1.00 0.00 N ATOM 60 CA GLY A 7 6.277 11.592 0.941 1.00 0.00 C ATOM 61 C GLY A 7 4.930 11.455 1.653 1.00 0.00 C ATOM 62 O GLY A 7 4.585 12.278 2.500 1.00 0.00 O ATOM 0 H GLY A 7 7.237 13.388 1.434 1.00 0.00 H new ATOM 0 HA2 GLY A 7 6.129 12.038 -0.042 1.00 0.00 H new ATOM 0 HA3 GLY A 7 6.710 10.605 0.781 1.00 0.00 H new ATOM 66 N HIS A 8 4.205 10.410 1.284 1.00 0.00 N ATOM 67 CA HIS A 8 2.903 10.154 1.877 1.00 0.00 C ATOM 68 C HIS A 8 2.818 8.691 2.316 1.00 0.00 C ATOM 69 O HIS A 8 3.007 8.380 3.491 1.00 0.00 O ATOM 70 CB HIS A 8 1.781 10.551 0.917 1.00 0.00 C ATOM 71 CG HIS A 8 0.805 11.550 1.492 1.00 0.00 C ATOM 72 ND1 HIS A 8 1.181 12.537 2.386 1.00 0.00 N ATOM 73 CD2 HIS A 8 -0.535 11.704 1.290 1.00 0.00 C ATOM 74 CE1 HIS A 8 0.108 13.246 2.703 1.00 0.00 C ATOM 75 NE2 HIS A 8 -0.955 12.728 2.023 1.00 0.00 N ATOM 0 H HIS A 8 4.494 9.730 0.581 1.00 0.00 H new ATOM 0 HA HIS A 8 2.777 10.772 2.766 1.00 0.00 H new ATOM 0 HB2 HIS A 8 2.222 10.969 0.012 1.00 0.00 H new ATOM 0 HB3 HIS A 8 1.236 9.655 0.621 1.00 0.00 H new ATOM 0 HD1 HIS A 8 2.125 12.692 2.741 1.00 0.00 H new ATOM 0 HD2 HIS A 8 -1.150 11.096 0.643 1.00 0.00 H new ATOM 0 HE1 HIS A 8 0.080 14.086 3.381 1.00 0.00 H new ATOM 83 N PHE A 9 2.532 7.832 1.349 1.00 0.00 N ATOM 84 CA PHE A 9 2.419 6.409 1.621 1.00 0.00 C ATOM 85 C PHE A 9 3.679 5.664 1.175 1.00 0.00 C ATOM 86 O PHE A 9 3.630 4.852 0.252 1.00 0.00 O ATOM 87 CB PHE A 9 1.224 5.894 0.817 1.00 0.00 C ATOM 88 CG PHE A 9 -0.027 6.767 0.932 1.00 0.00 C ATOM 89 CD1 PHE A 9 -0.589 6.992 2.149 1.00 0.00 C ATOM 90 CD2 PHE A 9 -0.577 7.318 -0.184 1.00 0.00 C ATOM 91 CE1 PHE A 9 -1.750 7.803 2.256 1.00 0.00 C ATOM 92 CE2 PHE A 9 -1.738 8.128 -0.077 1.00 0.00 C ATOM 93 CZ PHE A 9 -2.300 8.354 1.141 1.00 0.00 C ATOM 0 H PHE A 9 2.375 8.094 0.376 1.00 0.00 H new ATOM 0 HA PHE A 9 2.291 6.243 2.691 1.00 0.00 H new ATOM 0 HB2 PHE A 9 1.509 5.822 -0.233 1.00 0.00 H new ATOM 0 HB3 PHE A 9 0.982 4.885 1.151 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -0.153 6.554 3.035 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -0.130 7.139 -1.151 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -2.196 7.982 3.223 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -2.175 8.565 -0.963 1.00 0.00 H new ATOM 0 HZ PHE A 9 -3.183 8.971 1.222 1.00 0.00 H new ATOM 103 N GLN A 10 4.777 5.967 1.851 1.00 0.00 N ATOM 104 CA GLN A 10 6.048 5.336 1.536 1.00 0.00 C ATOM 105 C GLN A 10 6.196 4.025 2.311 1.00 0.00 C ATOM 106 O GLN A 10 6.104 2.943 1.733 1.00 0.00 O ATOM 107 CB GLN A 10 7.216 6.280 1.826 1.00 0.00 C ATOM 108 CG GLN A 10 8.494 5.495 2.128 1.00 0.00 C ATOM 109 CD GLN A 10 9.737 6.313 1.774 1.00 0.00 C ATOM 110 OE1 GLN A 10 10.083 7.280 2.433 1.00 0.00 O ATOM 111 NE2 GLN A 10 10.387 5.874 0.700 1.00 0.00 N ATOM 0 H GLN A 10 4.813 6.641 2.616 1.00 0.00 H new ATOM 0 HA GLN A 10 6.064 5.109 0.470 1.00 0.00 H new ATOM 0 HB2 GLN A 10 7.381 6.934 0.970 1.00 0.00 H new ATOM 0 HB3 GLN A 10 6.969 6.920 2.673 1.00 0.00 H new ATOM 0 HG2 GLN A 10 8.519 5.227 3.184 1.00 0.00 H new ATOM 0 HG3 GLN A 10 8.495 4.563 1.563 1.00 0.00 H new ATOM 0 HE21 GLN A 10 10.043 5.058 0.194 1.00 0.00 H new ATOM 0 HE22 GLN A 10 11.230 6.353 0.382 1.00 0.00 H new ATOM 120 N VAL A 11 6.423 4.165 3.609 1.00 0.00 N ATOM 121 CA VAL A 11 6.585 3.006 4.470 1.00 0.00 C ATOM 122 C VAL A 11 5.565 1.936 4.074 1.00 0.00 C ATOM 123 O VAL A 11 5.927 0.783 3.844 1.00 0.00 O ATOM 124 CB VAL A 11 6.474 3.424 5.937 1.00 0.00 C ATOM 125 CG1 VAL A 11 6.617 2.215 6.864 1.00 0.00 C ATOM 126 CG2 VAL A 11 7.505 4.502 6.280 1.00 0.00 C ATOM 0 H VAL A 11 6.499 5.064 4.085 1.00 0.00 H new ATOM 0 HA VAL A 11 7.577 2.572 4.344 1.00 0.00 H new ATOM 0 HB VAL A 11 5.482 3.848 6.090 1.00 0.00 H new ATOM 0 HG11 VAL A 11 6.534 2.540 7.901 1.00 0.00 H new ATOM 0 HG12 VAL A 11 5.829 1.494 6.646 1.00 0.00 H new ATOM 0 HG13 VAL A 11 7.590 1.749 6.706 1.00 0.00 H new ATOM 0 HG21 VAL A 11 7.404 4.781 7.329 1.00 0.00 H new ATOM 0 HG22 VAL A 11 8.509 4.115 6.102 1.00 0.00 H new ATOM 0 HG23 VAL A 11 7.337 5.378 5.654 1.00 0.00 H new ATOM 136 N GLN A 12 4.310 2.356 4.007 1.00 0.00 N ATOM 137 CA GLN A 12 3.236 1.448 3.644 1.00 0.00 C ATOM 138 C GLN A 12 3.515 0.815 2.279 1.00 0.00 C ATOM 139 O GLN A 12 3.395 -0.399 2.117 1.00 0.00 O ATOM 140 CB GLN A 12 1.885 2.167 3.649 1.00 0.00 C ATOM 141 CG GLN A 12 1.534 2.663 5.053 1.00 0.00 C ATOM 142 CD GLN A 12 1.857 4.151 5.205 1.00 0.00 C ATOM 143 OE1 GLN A 12 2.640 4.559 6.047 1.00 0.00 O ATOM 144 NE2 GLN A 12 1.212 4.936 4.347 1.00 0.00 N ATOM 0 H GLN A 12 4.013 3.313 4.198 1.00 0.00 H new ATOM 0 HA GLN A 12 3.191 0.654 4.389 1.00 0.00 H new ATOM 0 HB2 GLN A 12 1.915 3.010 2.958 1.00 0.00 H new ATOM 0 HB3 GLN A 12 1.108 1.491 3.293 1.00 0.00 H new ATOM 0 HG2 GLN A 12 0.475 2.495 5.248 1.00 0.00 H new ATOM 0 HG3 GLN A 12 2.089 2.089 5.795 1.00 0.00 H new ATOM 0 HE21 GLN A 12 0.570 4.529 3.667 1.00 0.00 H new ATOM 0 HE22 GLN A 12 1.359 5.945 4.369 1.00 0.00 H new ATOM 153 N LEU A 13 3.881 1.666 1.331 1.00 0.00 N ATOM 154 CA LEU A 13 4.178 1.205 -0.014 1.00 0.00 C ATOM 155 C LEU A 13 5.376 0.255 0.029 1.00 0.00 C ATOM 156 O LEU A 13 5.476 -0.662 -0.784 1.00 0.00 O ATOM 157 CB LEU A 13 4.369 2.394 -0.958 1.00 0.00 C ATOM 158 CG LEU A 13 3.092 2.985 -1.559 1.00 0.00 C ATOM 159 CD1 LEU A 13 3.404 4.234 -2.386 1.00 0.00 C ATOM 160 CD2 LEU A 13 2.331 1.935 -2.370 1.00 0.00 C ATOM 0 H LEU A 13 3.978 2.672 1.468 1.00 0.00 H new ATOM 0 HA LEU A 13 3.338 0.640 -0.417 1.00 0.00 H new ATOM 0 HB2 LEU A 13 4.891 3.183 -0.416 1.00 0.00 H new ATOM 0 HB3 LEU A 13 5.021 2.083 -1.774 1.00 0.00 H new ATOM 0 HG LEU A 13 2.440 3.294 -0.742 1.00 0.00 H new ATOM 0 HD11 LEU A 13 2.480 4.635 -2.802 1.00 0.00 H new ATOM 0 HD12 LEU A 13 3.871 4.985 -1.749 1.00 0.00 H new ATOM 0 HD13 LEU A 13 4.084 3.973 -3.197 1.00 0.00 H new ATOM 0 HD21 LEU A 13 1.428 2.381 -2.786 1.00 0.00 H new ATOM 0 HD22 LEU A 13 2.963 1.573 -3.181 1.00 0.00 H new ATOM 0 HD23 LEU A 13 2.059 1.102 -1.722 1.00 0.00 H new ATOM 172 N GLU A 14 6.256 0.508 0.987 1.00 0.00 N ATOM 173 CA GLU A 14 7.444 -0.313 1.148 1.00 0.00 C ATOM 174 C GLU A 14 7.074 -1.672 1.745 1.00 0.00 C ATOM 175 O GLU A 14 7.405 -2.714 1.180 1.00 0.00 O ATOM 176 CB GLU A 14 8.490 0.398 2.009 1.00 0.00 C ATOM 177 CG GLU A 14 9.363 -0.612 2.757 1.00 0.00 C ATOM 178 CD GLU A 14 10.748 -0.032 3.046 1.00 0.00 C ATOM 179 OE1 GLU A 14 10.831 0.808 3.968 1.00 0.00 O ATOM 180 OE2 GLU A 14 11.694 -0.440 2.338 1.00 0.00 O ATOM 0 H GLU A 14 6.170 1.270 1.660 1.00 0.00 H new ATOM 0 HA GLU A 14 7.883 -0.478 0.164 1.00 0.00 H new ATOM 0 HB2 GLU A 14 9.117 1.029 1.379 1.00 0.00 H new ATOM 0 HB3 GLU A 14 7.993 1.054 2.724 1.00 0.00 H new ATOM 0 HG2 GLU A 14 8.880 -0.893 3.693 1.00 0.00 H new ATOM 0 HG3 GLU A 14 9.462 -1.521 2.164 1.00 0.00 H new ATOM 187 N GLN A 15 6.392 -1.618 2.880 1.00 0.00 N ATOM 188 CA GLN A 15 5.972 -2.832 3.560 1.00 0.00 C ATOM 189 C GLN A 15 5.140 -3.706 2.620 1.00 0.00 C ATOM 190 O GLN A 15 5.315 -4.923 2.581 1.00 0.00 O ATOM 191 CB GLN A 15 5.195 -2.504 4.836 1.00 0.00 C ATOM 192 CG GLN A 15 6.146 -2.267 6.011 1.00 0.00 C ATOM 193 CD GLN A 15 5.424 -2.455 7.347 1.00 0.00 C ATOM 194 OE1 GLN A 15 5.492 -3.497 7.978 1.00 0.00 O ATOM 195 NE2 GLN A 15 4.731 -1.390 7.742 1.00 0.00 N ATOM 0 H GLN A 15 6.120 -0.752 3.346 1.00 0.00 H new ATOM 0 HA GLN A 15 6.862 -3.390 3.850 1.00 0.00 H new ATOM 0 HB2 GLN A 15 4.582 -1.617 4.675 1.00 0.00 H new ATOM 0 HB3 GLN A 15 4.515 -3.323 5.073 1.00 0.00 H new ATOM 0 HG2 GLN A 15 6.987 -2.957 5.948 1.00 0.00 H new ATOM 0 HG3 GLN A 15 6.556 -1.259 5.954 1.00 0.00 H new ATOM 0 HE21 GLN A 15 4.716 -0.549 7.166 1.00 0.00 H new ATOM 0 HE22 GLN A 15 4.215 -1.415 8.621 1.00 0.00 H new ATOM 204 N LEU A 16 4.252 -3.052 1.886 1.00 0.00 N ATOM 205 CA LEU A 16 3.392 -3.754 0.949 1.00 0.00 C ATOM 206 C LEU A 16 4.250 -4.385 -0.150 1.00 0.00 C ATOM 207 O LEU A 16 4.147 -5.582 -0.413 1.00 0.00 O ATOM 208 CB LEU A 16 2.302 -2.821 0.419 1.00 0.00 C ATOM 209 CG LEU A 16 1.264 -2.353 1.441 1.00 0.00 C ATOM 210 CD1 LEU A 16 0.349 -1.282 0.843 1.00 0.00 C ATOM 211 CD2 LEU A 16 0.472 -3.537 2.000 1.00 0.00 C ATOM 0 H LEU A 16 4.109 -2.043 1.921 1.00 0.00 H new ATOM 0 HA LEU A 16 2.867 -4.567 1.450 1.00 0.00 H new ATOM 0 HB2 LEU A 16 2.782 -1.942 -0.011 1.00 0.00 H new ATOM 0 HB3 LEU A 16 1.780 -3.328 -0.393 1.00 0.00 H new ATOM 0 HG LEU A 16 1.791 -1.895 2.278 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -0.379 -0.967 1.590 1.00 0.00 H new ATOM 0 HD12 LEU A 16 0.946 -0.424 0.534 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -0.173 -1.691 -0.022 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -0.259 -3.177 2.724 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -0.044 -4.046 1.186 1.00 0.00 H new ATOM 0 HD23 LEU A 16 1.154 -4.233 2.489 1.00 0.00 H new ATOM 223 N ARG A 17 5.077 -3.550 -0.763 1.00 0.00 N ATOM 224 CA ARG A 17 5.952 -4.011 -1.827 1.00 0.00 C ATOM 225 C ARG A 17 6.502 -5.400 -1.498 1.00 0.00 C ATOM 226 O ARG A 17 6.539 -6.277 -2.360 1.00 0.00 O ATOM 227 CB ARG A 17 7.119 -3.044 -2.038 1.00 0.00 C ATOM 228 CG ARG A 17 7.770 -3.260 -3.406 1.00 0.00 C ATOM 229 CD ARG A 17 8.295 -1.942 -3.978 1.00 0.00 C ATOM 230 NE ARG A 17 8.879 -2.169 -5.319 1.00 0.00 N ATOM 231 CZ ARG A 17 9.044 -1.209 -6.239 1.00 0.00 C ATOM 232 NH1 ARG A 17 8.669 0.049 -5.969 1.00 0.00 N ATOM 233 NH2 ARG A 17 9.583 -1.507 -7.429 1.00 0.00 N ATOM 0 H ARG A 17 5.159 -2.557 -0.543 1.00 0.00 H new ATOM 0 HA ARG A 17 5.364 -4.058 -2.743 1.00 0.00 H new ATOM 0 HB2 ARG A 17 6.764 -2.017 -1.959 1.00 0.00 H new ATOM 0 HB3 ARG A 17 7.861 -3.186 -1.252 1.00 0.00 H new ATOM 0 HG2 ARG A 17 8.590 -3.973 -3.314 1.00 0.00 H new ATOM 0 HG3 ARG A 17 7.045 -3.695 -4.093 1.00 0.00 H new ATOM 0 HD2 ARG A 17 7.485 -1.216 -4.043 1.00 0.00 H new ATOM 0 HD3 ARG A 17 9.047 -1.521 -3.311 1.00 0.00 H new ATOM 0 HE ARG A 17 9.174 -3.116 -5.558 1.00 0.00 H new ATOM 0 HH11 ARG A 17 8.258 0.275 -5.063 1.00 0.00 H new ATOM 0 HH12 ARG A 17 8.795 0.780 -6.669 1.00 0.00 H new ATOM 0 HH21 ARG A 17 9.868 -2.465 -7.634 1.00 0.00 H new ATOM 0 HH22 ARG A 17 9.709 -0.776 -8.129 1.00 0.00 H new ATOM 247 N SER A 18 6.916 -5.557 -0.250 1.00 0.00 N ATOM 248 CA SER A 18 7.463 -6.824 0.204 1.00 0.00 C ATOM 249 C SER A 18 6.399 -7.919 0.105 1.00 0.00 C ATOM 250 O SER A 18 6.645 -8.979 -0.469 1.00 0.00 O ATOM 251 CB SER A 18 7.983 -6.718 1.639 1.00 0.00 C ATOM 252 OG SER A 18 9.355 -7.091 1.739 1.00 0.00 O ATOM 0 H SER A 18 6.884 -4.827 0.462 1.00 0.00 H new ATOM 0 HA SER A 18 8.304 -7.083 -0.440 1.00 0.00 H new ATOM 0 HB2 SER A 18 7.859 -5.695 1.995 1.00 0.00 H new ATOM 0 HB3 SER A 18 7.385 -7.357 2.289 1.00 0.00 H new ATOM 0 HG SER A 18 9.649 -7.008 2.670 1.00 0.00 H new ATOM 258 N MET A 19 5.238 -7.625 0.673 1.00 0.00 N ATOM 259 CA MET A 19 4.136 -8.571 0.655 1.00 0.00 C ATOM 260 C MET A 19 3.894 -9.105 -0.758 1.00 0.00 C ATOM 261 O MET A 19 3.367 -10.203 -0.929 1.00 0.00 O ATOM 262 CB MET A 19 2.867 -7.886 1.167 1.00 0.00 C ATOM 263 CG MET A 19 2.814 -7.900 2.696 1.00 0.00 C ATOM 264 SD MET A 19 1.415 -8.861 3.249 1.00 0.00 S ATOM 265 CE MET A 19 0.493 -7.599 4.111 1.00 0.00 C ATOM 0 H MET A 19 5.037 -6.745 1.148 1.00 0.00 H new ATOM 0 HA MET A 19 4.392 -9.411 1.301 1.00 0.00 H new ATOM 0 HB2 MET A 19 2.835 -6.857 0.808 1.00 0.00 H new ATOM 0 HB3 MET A 19 1.989 -8.392 0.765 1.00 0.00 H new ATOM 0 HG2 MET A 19 3.736 -8.321 3.096 1.00 0.00 H new ATOM 0 HG3 MET A 19 2.738 -6.881 3.075 1.00 0.00 H new ATOM 0 HE1 MET A 19 -0.524 -7.949 4.290 1.00 0.00 H new ATOM 0 HE2 MET A 19 0.975 -7.383 5.064 1.00 0.00 H new ATOM 0 HE3 MET A 19 0.464 -6.693 3.506 1.00 0.00 H new ATOM 275 N GLY A 20 4.290 -8.303 -1.735 1.00 0.00 N ATOM 276 CA GLY A 20 4.122 -8.681 -3.128 1.00 0.00 C ATOM 277 C GLY A 20 3.072 -7.803 -3.812 1.00 0.00 C ATOM 278 O GLY A 20 2.561 -8.154 -4.874 1.00 0.00 O ATOM 0 H GLY A 20 4.727 -7.393 -1.590 1.00 0.00 H new ATOM 0 HA2 GLY A 20 5.074 -8.589 -3.651 1.00 0.00 H new ATOM 0 HA3 GLY A 20 3.823 -9.727 -3.191 1.00 0.00 H new ATOM 282 N PHE A 21 2.782 -6.678 -3.175 1.00 0.00 N ATOM 283 CA PHE A 21 1.802 -5.747 -3.709 1.00 0.00 C ATOM 284 C PHE A 21 2.459 -4.744 -4.659 1.00 0.00 C ATOM 285 O PHE A 21 2.616 -3.572 -4.319 1.00 0.00 O ATOM 286 CB PHE A 21 1.208 -4.991 -2.519 1.00 0.00 C ATOM 287 CG PHE A 21 0.237 -5.820 -1.677 1.00 0.00 C ATOM 288 CD1 PHE A 21 -0.894 -6.322 -2.241 1.00 0.00 C ATOM 289 CD2 PHE A 21 0.504 -6.056 -0.364 1.00 0.00 C ATOM 290 CE1 PHE A 21 -1.796 -7.092 -1.460 1.00 0.00 C ATOM 291 CE2 PHE A 21 -0.398 -6.825 0.417 1.00 0.00 C ATOM 292 CZ PHE A 21 -1.529 -7.327 -0.147 1.00 0.00 C ATOM 0 H PHE A 21 3.208 -6.390 -2.294 1.00 0.00 H new ATOM 0 HA PHE A 21 1.039 -6.290 -4.268 1.00 0.00 H new ATOM 0 HB2 PHE A 21 2.020 -4.643 -1.881 1.00 0.00 H new ATOM 0 HB3 PHE A 21 0.689 -4.105 -2.887 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -1.106 -6.135 -3.283 1.00 0.00 H new ATOM 0 HD2 PHE A 21 1.402 -5.658 0.084 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -2.694 -7.491 -1.908 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -0.186 -7.011 1.459 1.00 0.00 H new ATOM 0 HZ PHE A 21 -2.215 -7.912 0.447 1.00 0.00 H new ATOM 302 N LEU A 22 2.826 -5.241 -5.831 1.00 0.00 N ATOM 303 CA LEU A 22 3.463 -4.402 -6.833 1.00 0.00 C ATOM 304 C LEU A 22 2.389 -3.647 -7.618 1.00 0.00 C ATOM 305 O LEU A 22 2.371 -3.686 -8.847 1.00 0.00 O ATOM 306 CB LEU A 22 4.397 -5.235 -7.714 1.00 0.00 C ATOM 307 CG LEU A 22 5.275 -6.254 -6.984 1.00 0.00 C ATOM 308 CD1 LEU A 22 5.715 -5.722 -5.620 1.00 0.00 C ATOM 309 CD2 LEU A 22 4.567 -7.606 -6.871 1.00 0.00 C ATOM 0 H LEU A 22 2.695 -6.213 -6.109 1.00 0.00 H new ATOM 0 HA LEU A 22 4.095 -3.653 -6.356 1.00 0.00 H new ATOM 0 HB2 LEU A 22 3.793 -5.766 -8.449 1.00 0.00 H new ATOM 0 HB3 LEU A 22 5.046 -4.555 -8.266 1.00 0.00 H new ATOM 0 HG LEU A 22 6.178 -6.411 -7.574 1.00 0.00 H new ATOM 0 HD11 LEU A 22 6.338 -6.466 -5.123 1.00 0.00 H new ATOM 0 HD12 LEU A 22 6.285 -4.803 -5.755 1.00 0.00 H new ATOM 0 HD13 LEU A 22 4.836 -5.517 -5.009 1.00 0.00 H new ATOM 0 HD21 LEU A 22 5.212 -8.312 -6.348 1.00 0.00 H new ATOM 0 HD22 LEU A 22 3.637 -7.484 -6.315 1.00 0.00 H new ATOM 0 HD23 LEU A 22 4.347 -7.986 -7.869 1.00 0.00 H new ATOM 321 N ASN A 23 1.519 -2.978 -6.875 1.00 0.00 N ATOM 322 CA ASN A 23 0.444 -2.215 -7.486 1.00 0.00 C ATOM 323 C ASN A 23 0.354 -0.843 -6.817 1.00 0.00 C ATOM 324 O ASN A 23 -0.661 -0.512 -6.205 1.00 0.00 O ATOM 325 CB ASN A 23 -0.903 -2.919 -7.305 1.00 0.00 C ATOM 326 CG ASN A 23 -1.834 -2.633 -8.485 1.00 0.00 C ATOM 327 OD1 ASN A 23 -1.543 -1.834 -9.360 1.00 0.00 O ATOM 328 ND2 ASN A 23 -2.967 -3.329 -8.461 1.00 0.00 N ATOM 0 H ASN A 23 1.537 -2.949 -5.856 1.00 0.00 H new ATOM 0 HA ASN A 23 0.661 -2.119 -8.550 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -0.746 -3.994 -7.213 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -1.371 -2.585 -6.379 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -3.655 -3.210 -9.205 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -3.148 -3.982 -7.699 1.00 0.00 H new ATOM 335 N ARG A 24 1.429 -0.080 -6.956 1.00 0.00 N ATOM 336 CA ARG A 24 1.484 1.249 -6.372 1.00 0.00 C ATOM 337 C ARG A 24 0.129 1.946 -6.510 1.00 0.00 C ATOM 338 O ARG A 24 -0.499 2.295 -5.511 1.00 0.00 O ATOM 339 CB ARG A 24 2.559 2.103 -7.047 1.00 0.00 C ATOM 340 CG ARG A 24 3.004 3.247 -6.134 1.00 0.00 C ATOM 341 CD ARG A 24 4.520 3.226 -5.927 1.00 0.00 C ATOM 342 NE ARG A 24 5.042 4.610 -5.870 1.00 0.00 N ATOM 343 CZ ARG A 24 6.345 4.923 -5.887 1.00 0.00 C ATOM 344 NH1 ARG A 24 7.266 3.953 -5.960 1.00 0.00 N ATOM 345 NH2 ARG A 24 6.726 6.206 -5.831 1.00 0.00 N ATOM 0 H ARG A 24 2.268 -0.357 -7.465 1.00 0.00 H new ATOM 0 HA ARG A 24 1.734 1.137 -5.317 1.00 0.00 H new ATOM 0 HB2 ARG A 24 3.417 1.480 -7.300 1.00 0.00 H new ATOM 0 HB3 ARG A 24 2.172 2.509 -7.982 1.00 0.00 H new ATOM 0 HG2 ARG A 24 2.706 4.201 -6.569 1.00 0.00 H new ATOM 0 HG3 ARG A 24 2.501 3.165 -5.171 1.00 0.00 H new ATOM 0 HD2 ARG A 24 4.762 2.699 -5.004 1.00 0.00 H new ATOM 0 HD3 ARG A 24 4.999 2.681 -6.740 1.00 0.00 H new ATOM 0 HE ARG A 24 4.368 5.373 -5.814 1.00 0.00 H new ATOM 0 HH11 ARG A 24 6.976 2.976 -6.003 1.00 0.00 H new ATOM 0 HH12 ARG A 24 8.258 4.191 -5.973 1.00 0.00 H new ATOM 0 HH21 ARG A 24 6.024 6.944 -5.775 1.00 0.00 H new ATOM 0 HH22 ARG A 24 7.718 6.445 -5.844 1.00 0.00 H new ATOM 359 N GLU A 25 -0.283 2.128 -7.756 1.00 0.00 N ATOM 360 CA GLU A 25 -1.552 2.777 -8.038 1.00 0.00 C ATOM 361 C GLU A 25 -2.626 2.287 -7.065 1.00 0.00 C ATOM 362 O GLU A 25 -3.165 3.069 -6.283 1.00 0.00 O ATOM 363 CB GLU A 25 -1.978 2.543 -9.489 1.00 0.00 C ATOM 364 CG GLU A 25 -1.774 3.805 -10.330 1.00 0.00 C ATOM 365 CD GLU A 25 -0.518 3.689 -11.197 1.00 0.00 C ATOM 366 OE1 GLU A 25 0.578 3.916 -10.640 1.00 0.00 O ATOM 367 OE2 GLU A 25 -0.683 3.378 -12.396 1.00 0.00 O ATOM 0 H GLU A 25 0.240 1.837 -8.582 1.00 0.00 H new ATOM 0 HA GLU A 25 -1.427 3.851 -7.900 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -1.401 1.721 -9.913 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -3.026 2.246 -9.521 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -2.645 3.968 -10.965 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -1.690 4.673 -9.676 1.00 0.00 H new ATOM 374 N ALA A 26 -2.907 0.994 -7.146 1.00 0.00 N ATOM 375 CA ALA A 26 -3.907 0.390 -6.283 1.00 0.00 C ATOM 376 C ALA A 26 -3.545 0.663 -4.821 1.00 0.00 C ATOM 377 O ALA A 26 -4.336 1.244 -4.080 1.00 0.00 O ATOM 378 CB ALA A 26 -4.010 -1.105 -6.589 1.00 0.00 C ATOM 0 H ALA A 26 -2.459 0.348 -7.796 1.00 0.00 H new ATOM 0 HA ALA A 26 -4.888 0.828 -6.467 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -4.760 -1.558 -5.941 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -4.298 -1.244 -7.631 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -3.045 -1.580 -6.413 1.00 0.00 H new ATOM 384 N ASN A 27 -2.349 0.231 -4.451 1.00 0.00 N ATOM 385 CA ASN A 27 -1.872 0.421 -3.091 1.00 0.00 C ATOM 386 C ASN A 27 -2.213 1.839 -2.630 1.00 0.00 C ATOM 387 O ASN A 27 -2.874 2.022 -1.608 1.00 0.00 O ATOM 388 CB ASN A 27 -0.354 0.250 -3.011 1.00 0.00 C ATOM 389 CG ASN A 27 0.076 -1.104 -3.578 1.00 0.00 C ATOM 390 OD1 ASN A 27 -0.719 -2.012 -3.757 1.00 0.00 O ATOM 391 ND2 ASN A 27 1.375 -1.188 -3.851 1.00 0.00 N ATOM 0 H ASN A 27 -1.695 -0.250 -5.069 1.00 0.00 H new ATOM 0 HA ASN A 27 -2.353 -0.324 -2.457 1.00 0.00 H new ATOM 0 HB2 ASN A 27 0.135 1.052 -3.564 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -0.029 0.334 -1.974 1.00 0.00 H new ATOM 0 HD21 ASN A 27 1.761 -2.051 -4.234 1.00 0.00 H new ATOM 0 HD22 ASN A 27 1.985 -0.390 -3.677 1.00 0.00 H new ATOM 398 N LEU A 28 -1.747 2.808 -3.405 1.00 0.00 N ATOM 399 CA LEU A 28 -1.995 4.204 -3.088 1.00 0.00 C ATOM 400 C LEU A 28 -3.477 4.393 -2.761 1.00 0.00 C ATOM 401 O LEU A 28 -3.833 4.682 -1.620 1.00 0.00 O ATOM 402 CB LEU A 28 -1.494 5.106 -4.217 1.00 0.00 C ATOM 403 CG LEU A 28 -1.005 6.495 -3.800 1.00 0.00 C ATOM 404 CD1 LEU A 28 0.520 6.586 -3.881 1.00 0.00 C ATOM 405 CD2 LEU A 28 -1.689 7.588 -4.624 1.00 0.00 C ATOM 0 H LEU A 28 -1.199 2.654 -4.251 1.00 0.00 H new ATOM 0 HA LEU A 28 -1.433 4.499 -2.202 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -0.679 4.595 -4.729 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -2.299 5.229 -4.942 1.00 0.00 H new ATOM 0 HG LEU A 28 -1.283 6.656 -2.758 1.00 0.00 H new ATOM 0 HD11 LEU A 28 0.842 7.583 -3.580 1.00 0.00 H new ATOM 0 HD12 LEU A 28 0.965 5.845 -3.217 1.00 0.00 H new ATOM 0 HD13 LEU A 28 0.842 6.395 -4.905 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -1.323 8.565 -4.307 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -1.464 7.441 -5.680 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -2.767 7.537 -4.472 1.00 0.00 H new ATOM 417 N GLN A 29 -4.302 4.224 -3.784 1.00 0.00 N ATOM 418 CA GLN A 29 -5.738 4.373 -3.620 1.00 0.00 C ATOM 419 C GLN A 29 -6.202 3.670 -2.342 1.00 0.00 C ATOM 420 O GLN A 29 -6.783 4.300 -1.459 1.00 0.00 O ATOM 421 CB GLN A 29 -6.488 3.839 -4.842 1.00 0.00 C ATOM 422 CG GLN A 29 -6.176 4.674 -6.085 1.00 0.00 C ATOM 423 CD GLN A 29 -7.370 5.549 -6.472 1.00 0.00 C ATOM 424 OE1 GLN A 29 -8.118 5.253 -7.389 1.00 0.00 O ATOM 425 NE2 GLN A 29 -7.506 6.640 -5.723 1.00 0.00 N ATOM 0 H GLN A 29 -4.003 3.985 -4.730 1.00 0.00 H new ATOM 0 HA GLN A 29 -5.965 5.435 -3.531 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -6.210 2.800 -5.018 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -7.561 3.854 -4.650 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -5.306 5.303 -5.896 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -5.919 4.015 -6.915 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -6.844 6.828 -4.970 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -8.273 7.289 -5.901 1.00 0.00 H new ATOM 434 N ALA A 30 -5.928 2.375 -2.284 1.00 0.00 N ATOM 435 CA ALA A 30 -6.310 1.581 -1.129 1.00 0.00 C ATOM 436 C ALA A 30 -5.833 2.280 0.146 1.00 0.00 C ATOM 437 O ALA A 30 -6.593 2.419 1.103 1.00 0.00 O ATOM 438 CB ALA A 30 -5.737 0.169 -1.268 1.00 0.00 C ATOM 0 H ALA A 30 -5.446 1.856 -3.018 1.00 0.00 H new ATOM 0 HA ALA A 30 -7.394 1.489 -1.069 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -6.024 -0.427 -0.401 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -6.129 -0.295 -2.173 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -4.650 0.222 -1.329 1.00 0.00 H new ATOM 444 N LEU A 31 -4.578 2.702 0.117 1.00 0.00 N ATOM 445 CA LEU A 31 -3.991 3.383 1.259 1.00 0.00 C ATOM 446 C LEU A 31 -4.790 4.654 1.554 1.00 0.00 C ATOM 447 O LEU A 31 -5.227 4.868 2.684 1.00 0.00 O ATOM 448 CB LEU A 31 -2.500 3.635 1.024 1.00 0.00 C ATOM 449 CG LEU A 31 -1.572 2.443 1.270 1.00 0.00 C ATOM 450 CD1 LEU A 31 -0.309 2.547 0.413 1.00 0.00 C ATOM 451 CD2 LEU A 31 -1.246 2.300 2.758 1.00 0.00 C ATOM 0 H LEU A 31 -3.951 2.586 -0.679 1.00 0.00 H new ATOM 0 HA LEU A 31 -4.048 2.755 2.148 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -2.366 3.968 -0.005 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -2.184 4.455 1.669 1.00 0.00 H new ATOM 0 HG LEU A 31 -2.093 1.535 0.967 1.00 0.00 H new ATOM 0 HD11 LEU A 31 0.334 1.688 0.606 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -0.585 2.564 -0.641 1.00 0.00 H new ATOM 0 HD13 LEU A 31 0.226 3.464 0.662 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -0.585 1.446 2.905 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -0.753 3.206 3.111 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -2.168 2.147 3.319 1.00 0.00 H new ATOM 463 N ILE A 32 -4.957 5.464 0.519 1.00 0.00 N ATOM 464 CA ILE A 32 -5.695 6.708 0.654 1.00 0.00 C ATOM 465 C ILE A 32 -7.012 6.438 1.386 1.00 0.00 C ATOM 466 O ILE A 32 -7.416 7.214 2.250 1.00 0.00 O ATOM 467 CB ILE A 32 -5.876 7.375 -0.711 1.00 0.00 C ATOM 468 CG1 ILE A 32 -4.523 7.671 -1.360 1.00 0.00 C ATOM 469 CG2 ILE A 32 -6.745 8.629 -0.598 1.00 0.00 C ATOM 470 CD1 ILE A 32 -4.615 7.585 -2.885 1.00 0.00 C ATOM 0 H ILE A 32 -4.594 5.283 -0.417 1.00 0.00 H new ATOM 0 HA ILE A 32 -5.133 7.420 1.259 1.00 0.00 H new ATOM 0 HB ILE A 32 -6.401 6.678 -1.365 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -4.186 8.666 -1.068 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -3.779 6.962 -0.997 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -6.858 9.084 -1.582 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -7.726 8.358 -0.209 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -6.271 9.341 0.078 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -3.639 7.800 -3.321 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -4.929 6.582 -3.175 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -5.342 8.312 -3.247 1.00 0.00 H new ATOM 482 N ALA A 33 -7.643 5.335 1.012 1.00 0.00 N ATOM 483 CA ALA A 33 -8.906 4.952 1.622 1.00 0.00 C ATOM 484 C ALA A 33 -8.677 4.635 3.101 1.00 0.00 C ATOM 485 O ALA A 33 -9.464 5.040 3.956 1.00 0.00 O ATOM 486 CB ALA A 33 -9.504 3.770 0.858 1.00 0.00 C ATOM 0 H ALA A 33 -7.304 4.694 0.295 1.00 0.00 H new ATOM 0 HA ALA A 33 -9.623 5.771 1.568 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -10.451 3.483 1.315 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -9.674 4.056 -0.180 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -8.814 2.927 0.893 1.00 0.00 H new ATOM 492 N THR A 34 -7.596 3.914 3.359 1.00 0.00 N ATOM 493 CA THR A 34 -7.254 3.538 4.720 1.00 0.00 C ATOM 494 C THR A 34 -6.356 4.601 5.358 1.00 0.00 C ATOM 495 O THR A 34 -5.433 4.274 6.102 1.00 0.00 O ATOM 496 CB THR A 34 -6.615 2.148 4.680 1.00 0.00 C ATOM 497 OG1 THR A 34 -5.474 2.314 3.844 1.00 0.00 O ATOM 498 CG2 THR A 34 -7.478 1.128 3.934 1.00 0.00 C ATOM 0 H THR A 34 -6.945 3.580 2.648 1.00 0.00 H new ATOM 0 HA THR A 34 -8.142 3.486 5.351 1.00 0.00 H new ATOM 0 HB THR A 34 -6.440 1.800 5.698 1.00 0.00 H new ATOM 0 HG1 THR A 34 -5.375 3.261 3.610 1.00 0.00 H new ATOM 0 HG21 THR A 34 -6.979 0.159 3.935 1.00 0.00 H new ATOM 0 HG22 THR A 34 -8.445 1.038 4.429 1.00 0.00 H new ATOM 0 HG23 THR A 34 -7.626 1.459 2.906 1.00 0.00 H new ATOM 506 N GLY A 35 -6.659 5.851 5.042 1.00 0.00 N ATOM 507 CA GLY A 35 -5.892 6.964 5.575 1.00 0.00 C ATOM 508 C GLY A 35 -4.401 6.624 5.633 1.00 0.00 C ATOM 509 O GLY A 35 -3.684 7.106 6.509 1.00 0.00 O ATOM 0 H GLY A 35 -7.425 6.118 4.424 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -6.044 7.846 4.953 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -6.251 7.213 6.574 1.00 0.00 H new ATOM 513 N GLY A 36 -3.978 5.796 4.689 1.00 0.00 N ATOM 514 CA GLY A 36 -2.586 5.385 4.622 1.00 0.00 C ATOM 515 C GLY A 36 -2.286 4.295 5.652 1.00 0.00 C ATOM 516 O GLY A 36 -1.526 4.517 6.594 1.00 0.00 O ATOM 0 H GLY A 36 -4.575 5.399 3.964 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -2.360 5.017 3.621 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -1.940 6.245 4.799 1.00 0.00 H new ATOM 520 N ASP A 37 -2.898 3.139 5.439 1.00 0.00 N ATOM 521 CA ASP A 37 -2.705 2.013 6.337 1.00 0.00 C ATOM 522 C ASP A 37 -2.343 0.771 5.520 1.00 0.00 C ATOM 523 O ASP A 37 -2.792 0.618 4.385 1.00 0.00 O ATOM 524 CB ASP A 37 -3.984 1.708 7.119 1.00 0.00 C ATOM 525 CG ASP A 37 -3.777 0.922 8.416 1.00 0.00 C ATOM 526 OD1 ASP A 37 -2.600 0.637 8.724 1.00 0.00 O ATOM 527 OD2 ASP A 37 -4.800 0.625 9.069 1.00 0.00 O ATOM 0 H ASP A 37 -3.528 2.958 4.657 1.00 0.00 H new ATOM 0 HA ASP A 37 -1.908 2.270 7.035 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -4.479 2.649 7.357 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -4.660 1.146 6.475 1.00 0.00 H new ATOM 532 N VAL A 38 -1.535 -0.084 6.130 1.00 0.00 N ATOM 533 CA VAL A 38 -1.108 -1.308 5.473 1.00 0.00 C ATOM 534 C VAL A 38 -2.090 -2.432 5.810 1.00 0.00 C ATOM 535 O VAL A 38 -2.620 -3.088 4.915 1.00 0.00 O ATOM 536 CB VAL A 38 0.334 -1.636 5.865 1.00 0.00 C ATOM 537 CG1 VAL A 38 0.712 -3.053 5.429 1.00 0.00 C ATOM 538 CG2 VAL A 38 1.307 -0.606 5.288 1.00 0.00 C ATOM 0 H VAL A 38 -1.165 0.047 7.072 1.00 0.00 H new ATOM 0 HA VAL A 38 -1.116 -1.183 4.390 1.00 0.00 H new ATOM 0 HB VAL A 38 0.404 -1.590 6.952 1.00 0.00 H new ATOM 0 HG11 VAL A 38 1.742 -3.261 5.720 1.00 0.00 H new ATOM 0 HG12 VAL A 38 0.047 -3.771 5.910 1.00 0.00 H new ATOM 0 HG13 VAL A 38 0.616 -3.138 4.347 1.00 0.00 H new ATOM 0 HG21 VAL A 38 2.325 -0.863 5.582 1.00 0.00 H new ATOM 0 HG22 VAL A 38 1.232 -0.604 4.201 1.00 0.00 H new ATOM 0 HG23 VAL A 38 1.058 0.384 5.670 1.00 0.00 H new ATOM 548 N ASP A 39 -2.302 -2.620 7.104 1.00 0.00 N ATOM 549 CA ASP A 39 -3.211 -3.654 7.571 1.00 0.00 C ATOM 550 C ASP A 39 -4.553 -3.510 6.851 1.00 0.00 C ATOM 551 O ASP A 39 -4.932 -4.372 6.059 1.00 0.00 O ATOM 552 CB ASP A 39 -3.465 -3.526 9.074 1.00 0.00 C ATOM 553 CG ASP A 39 -3.281 -4.818 9.873 1.00 0.00 C ATOM 554 OD1 ASP A 39 -2.115 -5.250 9.993 1.00 0.00 O ATOM 555 OD2 ASP A 39 -4.312 -5.344 10.347 1.00 0.00 O ATOM 0 H ASP A 39 -1.860 -2.074 7.844 1.00 0.00 H new ATOM 0 HA ASP A 39 -2.756 -4.622 7.363 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -2.793 -2.768 9.478 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -4.482 -3.164 9.226 1.00 0.00 H new ATOM 560 N ALA A 40 -5.235 -2.415 7.152 1.00 0.00 N ATOM 561 CA ALA A 40 -6.527 -2.147 6.543 1.00 0.00 C ATOM 562 C ALA A 40 -6.417 -2.321 5.027 1.00 0.00 C ATOM 563 O ALA A 40 -7.274 -2.949 4.406 1.00 0.00 O ATOM 564 CB ALA A 40 -6.997 -0.745 6.936 1.00 0.00 C ATOM 0 H ALA A 40 -4.917 -1.703 7.810 1.00 0.00 H new ATOM 0 HA ALA A 40 -7.275 -2.854 6.903 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -7.966 -0.545 6.479 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -7.087 -0.682 8.020 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -6.273 -0.008 6.589 1.00 0.00 H new ATOM 570 N ALA A 41 -5.355 -1.754 4.473 1.00 0.00 N ATOM 571 CA ALA A 41 -5.122 -1.839 3.042 1.00 0.00 C ATOM 572 C ALA A 41 -5.132 -3.308 2.614 1.00 0.00 C ATOM 573 O ALA A 41 -5.937 -3.708 1.775 1.00 0.00 O ATOM 574 CB ALA A 41 -3.806 -1.139 2.696 1.00 0.00 C ATOM 0 H ALA A 41 -4.646 -1.234 4.990 1.00 0.00 H new ATOM 0 HA ALA A 41 -5.915 -1.331 2.493 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -3.631 -1.203 1.622 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -3.862 -0.092 2.993 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -2.986 -1.623 3.226 1.00 0.00 H new ATOM 580 N VAL A 42 -4.227 -4.071 3.209 1.00 0.00 N ATOM 581 CA VAL A 42 -4.121 -5.486 2.900 1.00 0.00 C ATOM 582 C VAL A 42 -5.523 -6.095 2.830 1.00 0.00 C ATOM 583 O VAL A 42 -5.894 -6.696 1.823 1.00 0.00 O ATOM 584 CB VAL A 42 -3.219 -6.179 3.923 1.00 0.00 C ATOM 585 CG1 VAL A 42 -3.336 -7.701 3.815 1.00 0.00 C ATOM 586 CG2 VAL A 42 -1.766 -5.728 3.768 1.00 0.00 C ATOM 0 H VAL A 42 -3.560 -3.735 3.904 1.00 0.00 H new ATOM 0 HA VAL A 42 -3.655 -5.630 1.925 1.00 0.00 H new ATOM 0 HB VAL A 42 -3.555 -5.887 4.918 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -2.685 -8.169 4.553 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -4.368 -8.001 3.999 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -3.039 -8.019 2.816 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -1.147 -6.236 4.507 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -1.413 -5.976 2.767 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -1.701 -4.650 3.919 1.00 0.00 H new ATOM 596 N GLU A 43 -6.265 -5.918 3.914 1.00 0.00 N ATOM 597 CA GLU A 43 -7.618 -6.442 3.988 1.00 0.00 C ATOM 598 C GLU A 43 -8.392 -6.096 2.715 1.00 0.00 C ATOM 599 O GLU A 43 -9.227 -6.877 2.259 1.00 0.00 O ATOM 600 CB GLU A 43 -8.343 -5.917 5.230 1.00 0.00 C ATOM 601 CG GLU A 43 -7.659 -6.402 6.509 1.00 0.00 C ATOM 602 CD GLU A 43 -8.211 -7.761 6.945 1.00 0.00 C ATOM 603 OE1 GLU A 43 -7.728 -8.773 6.392 1.00 0.00 O ATOM 604 OE2 GLU A 43 -9.103 -7.757 7.820 1.00 0.00 O ATOM 0 H GLU A 43 -5.955 -5.419 4.748 1.00 0.00 H new ATOM 0 HA GLU A 43 -7.562 -7.527 4.072 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -8.359 -4.827 5.213 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -9.380 -6.251 5.219 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -6.584 -6.478 6.344 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -7.809 -5.672 7.305 1.00 0.00 H new ATOM 611 N LYS A 44 -8.089 -4.924 2.176 1.00 0.00 N ATOM 612 CA LYS A 44 -8.745 -4.465 0.964 1.00 0.00 C ATOM 613 C LYS A 44 -8.023 -5.045 -0.254 1.00 0.00 C ATOM 614 O LYS A 44 -8.604 -5.814 -1.018 1.00 0.00 O ATOM 615 CB LYS A 44 -8.841 -2.938 0.952 1.00 0.00 C ATOM 616 CG LYS A 44 -10.226 -2.472 1.407 1.00 0.00 C ATOM 617 CD LYS A 44 -10.276 -2.305 2.927 1.00 0.00 C ATOM 618 CE LYS A 44 -11.716 -2.122 3.411 1.00 0.00 C ATOM 619 NZ LYS A 44 -11.736 -1.673 4.821 1.00 0.00 N ATOM 0 H LYS A 44 -7.397 -4.278 2.557 1.00 0.00 H new ATOM 0 HA LYS A 44 -9.773 -4.827 0.928 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -8.078 -2.517 1.607 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -8.640 -2.565 -0.052 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -10.472 -1.526 0.925 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -10.979 -3.195 1.092 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -9.835 -3.179 3.407 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -9.677 -1.443 3.222 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -12.227 -1.392 2.783 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -12.260 -3.061 3.315 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -12.721 -1.554 5.133 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -11.267 -2.383 5.418 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -11.234 -0.766 4.904 1.00 0.00 H new ATOM 633 N LEU A 45 -6.765 -4.654 -0.397 1.00 0.00 N ATOM 634 CA LEU A 45 -5.957 -5.126 -1.509 1.00 0.00 C ATOM 635 C LEU A 45 -6.219 -6.617 -1.728 1.00 0.00 C ATOM 636 O LEU A 45 -6.187 -7.097 -2.860 1.00 0.00 O ATOM 637 CB LEU A 45 -4.482 -4.788 -1.280 1.00 0.00 C ATOM 638 CG LEU A 45 -4.077 -3.337 -1.550 1.00 0.00 C ATOM 639 CD1 LEU A 45 -2.736 -3.010 -0.888 1.00 0.00 C ATOM 640 CD2 LEU A 45 -4.062 -3.041 -3.051 1.00 0.00 C ATOM 0 H LEU A 45 -6.286 -4.016 0.238 1.00 0.00 H new ATOM 0 HA LEU A 45 -6.239 -4.614 -2.429 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -4.231 -5.028 -0.247 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -3.878 -5.437 -1.914 1.00 0.00 H new ATOM 0 HG LEU A 45 -4.826 -2.685 -1.101 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -2.471 -1.973 -1.095 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -2.817 -3.156 0.189 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -1.964 -3.668 -1.286 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -3.771 -2.003 -3.214 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -3.348 -3.700 -3.545 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -5.056 -3.208 -3.465 1.00 0.00 H new ATOM 652 N ARG A 46 -6.472 -7.309 -0.627 1.00 0.00 N ATOM 653 CA ARG A 46 -6.739 -8.736 -0.684 1.00 0.00 C ATOM 654 C ARG A 46 -8.055 -9.000 -1.419 1.00 0.00 C ATOM 655 O ARG A 46 -8.098 -9.795 -2.356 1.00 0.00 O ATOM 656 CB ARG A 46 -6.817 -9.339 0.720 1.00 0.00 C ATOM 657 CG ARG A 46 -5.421 -9.650 1.261 1.00 0.00 C ATOM 658 CD ARG A 46 -5.502 -10.497 2.533 1.00 0.00 C ATOM 659 NE ARG A 46 -5.884 -11.886 2.192 1.00 0.00 N ATOM 660 CZ ARG A 46 -6.224 -12.815 3.096 1.00 0.00 C ATOM 661 NH1 ARG A 46 -6.232 -12.509 4.400 1.00 0.00 N ATOM 662 NH2 ARG A 46 -6.556 -14.049 2.695 1.00 0.00 N ATOM 0 H ARG A 46 -6.498 -6.908 0.310 1.00 0.00 H new ATOM 0 HA ARG A 46 -5.916 -9.206 -1.223 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -7.324 -8.645 1.390 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -7.413 -10.251 0.695 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -4.843 -10.179 0.503 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -4.893 -8.720 1.472 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -4.540 -10.491 3.046 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -6.232 -10.068 3.220 1.00 0.00 H new ATOM 0 HE ARG A 46 -5.889 -12.153 1.207 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -5.979 -11.569 4.705 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -6.491 -13.216 5.088 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -6.550 -14.281 1.702 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -6.815 -14.756 3.383 1.00 0.00 H new ATOM 676 N GLN A 47 -9.096 -8.317 -0.966 1.00 0.00 N ATOM 677 CA GLN A 47 -10.410 -8.468 -1.569 1.00 0.00 C ATOM 678 C GLN A 47 -10.465 -7.735 -2.911 1.00 0.00 C ATOM 679 O GLN A 47 -11.365 -7.974 -3.716 1.00 0.00 O ATOM 680 CB GLN A 47 -11.506 -7.968 -0.626 1.00 0.00 C ATOM 681 CG GLN A 47 -11.639 -6.446 -0.697 1.00 0.00 C ATOM 682 CD GLN A 47 -12.786 -5.953 0.187 1.00 0.00 C ATOM 683 OE1 GLN A 47 -13.914 -5.789 -0.248 1.00 0.00 O ATOM 684 NE2 GLN A 47 -12.437 -5.727 1.451 1.00 0.00 N ATOM 0 H GLN A 47 -9.057 -7.658 -0.189 1.00 0.00 H new ATOM 0 HA GLN A 47 -10.587 -9.528 -1.749 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -12.456 -8.432 -0.889 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -11.276 -8.269 0.396 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -10.706 -5.981 -0.380 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -11.813 -6.141 -1.729 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -11.475 -5.885 1.750 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -13.132 -5.396 2.121 1.00 0.00 H new ATOM 693 N SER A 48 -9.492 -6.859 -3.111 1.00 0.00 N ATOM 694 CA SER A 48 -9.419 -6.090 -4.342 1.00 0.00 C ATOM 695 C SER A 48 -9.059 -7.008 -5.512 1.00 0.00 C ATOM 696 O SER A 48 -9.737 -7.007 -6.538 1.00 0.00 O ATOM 697 CB SER A 48 -8.398 -4.957 -4.224 1.00 0.00 C ATOM 698 OG SER A 48 -8.703 -3.871 -5.095 1.00 0.00 O ATOM 0 H SER A 48 -8.747 -6.664 -2.442 1.00 0.00 H new ATOM 0 HA SER A 48 -10.397 -5.644 -4.525 1.00 0.00 H new ATOM 0 HB2 SER A 48 -8.370 -4.600 -3.195 1.00 0.00 H new ATOM 0 HB3 SER A 48 -7.404 -5.339 -4.455 1.00 0.00 H new ATOM 0 HG SER A 48 -8.029 -3.167 -4.989 1.00 0.00 H new ATOM 704 N SER A 49 -7.993 -7.771 -5.317 1.00 0.00 N ATOM 705 CA SER A 49 -7.535 -8.692 -6.343 1.00 0.00 C ATOM 706 C SER A 49 -6.355 -9.514 -5.820 1.00 0.00 C ATOM 707 O SER A 49 -5.199 -9.170 -6.060 1.00 0.00 O ATOM 708 CB SER A 49 -7.137 -7.944 -7.617 1.00 0.00 C ATOM 709 OG SER A 49 -8.159 -7.996 -8.608 1.00 0.00 O ATOM 0 H SER A 49 -7.434 -7.770 -4.464 1.00 0.00 H new ATOM 0 HA SER A 49 -8.357 -9.364 -6.590 1.00 0.00 H new ATOM 0 HB2 SER A 49 -6.920 -6.904 -7.374 1.00 0.00 H new ATOM 0 HB3 SER A 49 -6.220 -8.375 -8.019 1.00 0.00 H new ATOM 0 HG SER A 49 -9.001 -7.668 -8.228 1.00 0.00 H new ATOM 715 N GLY A 50 -6.688 -10.585 -5.114 1.00 0.00 N ATOM 716 CA GLY A 50 -5.671 -11.458 -4.555 1.00 0.00 C ATOM 717 C GLY A 50 -6.271 -12.398 -3.506 1.00 0.00 C ATOM 718 O GLY A 50 -6.030 -12.234 -2.311 1.00 0.00 O ATOM 0 H GLY A 50 -7.648 -10.867 -4.917 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -5.211 -12.043 -5.352 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -4.881 -10.859 -4.102 1.00 0.00 H new ATOM 722 N PRO A 51 -7.060 -13.386 -4.005 1.00 0.00 N ATOM 723 CA PRO A 51 -7.697 -14.352 -3.125 1.00 0.00 C ATOM 724 C PRO A 51 -6.683 -15.374 -2.609 1.00 0.00 C ATOM 725 O PRO A 51 -6.146 -16.167 -3.382 1.00 0.00 O ATOM 726 CB PRO A 51 -8.800 -14.979 -3.961 1.00 0.00 C ATOM 727 CG PRO A 51 -8.446 -14.681 -5.409 1.00 0.00 C ATOM 728 CD PRO A 51 -7.368 -13.610 -5.415 1.00 0.00 C ATOM 0 HA PRO A 51 -8.109 -13.894 -2.226 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -8.859 -16.053 -3.787 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -9.772 -14.560 -3.702 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -8.091 -15.583 -5.908 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -9.326 -14.340 -5.955 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -6.486 -13.939 -5.966 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -7.720 -12.696 -5.893 1.00 0.00 H new ATOM 736 N SER A 52 -6.450 -15.324 -1.305 1.00 0.00 N ATOM 737 CA SER A 52 -5.510 -16.236 -0.677 1.00 0.00 C ATOM 738 C SER A 52 -4.109 -16.024 -1.255 1.00 0.00 C ATOM 739 O SER A 52 -3.882 -16.253 -2.442 1.00 0.00 O ATOM 740 CB SER A 52 -5.946 -17.691 -0.863 1.00 0.00 C ATOM 741 OG SER A 52 -5.085 -18.598 -0.180 1.00 0.00 O ATOM 0 H SER A 52 -6.897 -14.666 -0.667 1.00 0.00 H new ATOM 0 HA SER A 52 -5.491 -16.024 0.392 1.00 0.00 H new ATOM 0 HB2 SER A 52 -6.965 -17.814 -0.497 1.00 0.00 H new ATOM 0 HB3 SER A 52 -5.958 -17.933 -1.926 1.00 0.00 H new ATOM 0 HG SER A 52 -5.398 -19.516 -0.322 1.00 0.00 H new ATOM 747 N SER A 53 -3.206 -15.589 -0.388 1.00 0.00 N ATOM 748 CA SER A 53 -1.834 -15.344 -0.797 1.00 0.00 C ATOM 749 C SER A 53 -0.895 -16.332 -0.102 1.00 0.00 C ATOM 750 O SER A 53 -0.242 -15.986 0.881 1.00 0.00 O ATOM 751 CB SER A 53 -1.415 -13.906 -0.486 1.00 0.00 C ATOM 752 OG SER A 53 -0.050 -13.663 -0.817 1.00 0.00 O ATOM 0 H SER A 53 -3.398 -15.400 0.596 1.00 0.00 H new ATOM 0 HA SER A 53 -1.769 -15.488 -1.875 1.00 0.00 H new ATOM 0 HB2 SER A 53 -2.051 -13.215 -1.040 1.00 0.00 H new ATOM 0 HB3 SER A 53 -1.572 -13.704 0.573 1.00 0.00 H new ATOM 0 HG SER A 53 0.178 -12.734 -0.605 1.00 0.00 H new ATOM 758 N GLY A 54 -0.859 -17.542 -0.640 1.00 0.00 N ATOM 759 CA GLY A 54 -0.011 -18.583 -0.083 1.00 0.00 C ATOM 760 C GLY A 54 -0.419 -19.961 -0.608 1.00 0.00 C ATOM 761 O GLY A 54 -0.967 -20.075 -1.704 1.00 0.00 O ATOM 0 H GLY A 54 -1.403 -17.825 -1.455 1.00 0.00 H new ATOM 0 HA2 GLY A 54 1.030 -18.385 -0.340 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -0.079 -18.569 1.005 1.00 0.00 H new TER 765 GLY A 54