USER MOD reduce.3.24.130724 H: found=0, std=0, add=486, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 483 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 28 LYS NZ :NH3+ -105:sc= 0.997 (180deg=0) USER MOD Set 1.2: A 56 ASN : amide:sc= -4.99! C(o=-4!,f=-25!) 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 11 SER OG : rot 180:sc= 0 USER MOD Single : A 15 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 19 MET CE :methyl 144:sc= -0.0538 (180deg=-0.154) USER MOD Single : A 23 MET CE :methyl 179:sc= -1.51 (180deg=-1.55) USER MOD Single : A 26 CYS SG : rot 94:sc= -2.45 USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 THR OG1 : rot 44:sc= -1.54! USER MOD Single : A 35 ASN : amide:sc= -1.08 K(o=-1.1,f=-3.7!) USER MOD Single : A 36 SER OG : rot 108:sc= 0.0286 USER MOD Single : A 42 MET CE :methyl -116:sc= 0 (180deg=-0.116) USER MOD Single : A 43 ASN : amide:sc= -0.0713 K(o=-0.071,f=-0.91) USER MOD Single : A 46 MET CE :methyl -126:sc= -0.986 (180deg=-2.54!) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 48 HIS : no HD1:sc= -16.2! C(o=-16!,f=-17!) USER MOD Single : A 49 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 63 SER OG : rot 45:sc= 0.118 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 17.466 14.864 6.226 1.00 0.00 N ATOM 2 CA GLY A 1 17.989 14.010 7.279 1.00 0.00 C ATOM 3 C GLY A 1 18.072 12.555 6.814 1.00 0.00 C ATOM 4 O GLY A 1 19.067 12.146 6.218 1.00 0.00 O ATOM 0 H1 GLY A 1 17.419 15.846 6.566 1.00 0.00 H new ATOM 0 H2 GLY A 1 18.091 14.814 5.396 1.00 0.00 H new ATOM 0 H3 GLY A 1 16.513 14.544 5.961 1.00 0.00 H new ATOM 0 HA2 GLY A 1 18.978 14.358 7.576 1.00 0.00 H new ATOM 0 HA3 GLY A 1 17.349 14.078 8.159 1.00 0.00 H new ATOM 8 N SER A 2 17.014 11.813 7.104 1.00 0.00 N ATOM 9 CA SER A 2 16.954 10.413 6.723 1.00 0.00 C ATOM 10 C SER A 2 15.844 10.197 5.693 1.00 0.00 C ATOM 11 O SER A 2 14.715 9.864 6.051 1.00 0.00 O ATOM 12 CB SER A 2 16.726 9.519 7.944 1.00 0.00 C ATOM 13 OG SER A 2 17.906 8.813 8.317 1.00 0.00 O ATOM 0 H SER A 2 16.191 12.156 7.599 1.00 0.00 H new ATOM 0 HA SER A 2 17.911 10.139 6.279 1.00 0.00 H new ATOM 0 HB2 SER A 2 16.389 10.129 8.782 1.00 0.00 H new ATOM 0 HB3 SER A 2 15.930 8.806 7.728 1.00 0.00 H new ATOM 0 HG SER A 2 17.719 8.255 9.101 1.00 0.00 H new ATOM 19 N SER A 3 16.203 10.397 4.433 1.00 0.00 N ATOM 20 CA SER A 3 15.251 10.228 3.348 1.00 0.00 C ATOM 21 C SER A 3 14.171 11.310 3.427 1.00 0.00 C ATOM 22 O SER A 3 14.123 12.206 2.586 1.00 0.00 O ATOM 23 CB SER A 3 14.613 8.838 3.385 1.00 0.00 C ATOM 24 OG SER A 3 15.049 8.022 2.301 1.00 0.00 O ATOM 0 H SER A 3 17.140 10.674 4.139 1.00 0.00 H new ATOM 0 HA SER A 3 15.787 10.326 2.404 1.00 0.00 H new ATOM 0 HB2 SER A 3 14.860 8.351 4.328 1.00 0.00 H new ATOM 0 HB3 SER A 3 13.528 8.936 3.352 1.00 0.00 H new ATOM 0 HG SER A 3 14.621 7.142 2.361 1.00 0.00 H new ATOM 30 N GLY A 4 13.332 11.190 4.445 1.00 0.00 N ATOM 31 CA GLY A 4 12.256 12.146 4.645 1.00 0.00 C ATOM 32 C GLY A 4 11.459 11.818 5.909 1.00 0.00 C ATOM 33 O GLY A 4 11.826 10.918 6.662 1.00 0.00 O ATOM 0 H GLY A 4 13.375 10.445 5.140 1.00 0.00 H new ATOM 0 HA2 GLY A 4 12.668 13.152 4.722 1.00 0.00 H new ATOM 0 HA3 GLY A 4 11.593 12.138 3.780 1.00 0.00 H new ATOM 37 N SER A 5 10.383 12.566 6.102 1.00 0.00 N ATOM 38 CA SER A 5 9.531 12.367 7.262 1.00 0.00 C ATOM 39 C SER A 5 8.287 13.252 7.156 1.00 0.00 C ATOM 40 O SER A 5 8.353 14.362 6.630 1.00 0.00 O ATOM 41 CB SER A 5 10.286 12.666 8.558 1.00 0.00 C ATOM 42 OG SER A 5 10.926 13.938 8.521 1.00 0.00 O ATOM 0 H SER A 5 10.081 13.311 5.474 1.00 0.00 H new ATOM 0 HA SER A 5 9.224 11.321 7.285 1.00 0.00 H new ATOM 0 HB2 SER A 5 9.592 12.634 9.398 1.00 0.00 H new ATOM 0 HB3 SER A 5 11.032 11.890 8.731 1.00 0.00 H new ATOM 0 HG SER A 5 11.396 14.093 9.367 1.00 0.00 H new ATOM 48 N SER A 6 7.181 12.727 7.663 1.00 0.00 N ATOM 49 CA SER A 6 5.924 13.455 7.632 1.00 0.00 C ATOM 50 C SER A 6 5.673 14.006 6.227 1.00 0.00 C ATOM 51 O SER A 6 6.146 15.090 5.888 1.00 0.00 O ATOM 52 CB SER A 6 5.921 14.591 8.657 1.00 0.00 C ATOM 53 OG SER A 6 4.613 15.116 8.868 1.00 0.00 O ATOM 0 H SER A 6 7.129 11.806 8.098 1.00 0.00 H new ATOM 0 HA SER A 6 5.122 12.765 7.893 1.00 0.00 H new ATOM 0 HB2 SER A 6 6.323 14.227 9.603 1.00 0.00 H new ATOM 0 HB3 SER A 6 6.581 15.389 8.316 1.00 0.00 H new ATOM 0 HG SER A 6 4.653 15.838 9.530 1.00 0.00 H new ATOM 59 N GLY A 7 4.930 13.234 5.448 1.00 0.00 N ATOM 60 CA GLY A 7 4.611 13.632 4.087 1.00 0.00 C ATOM 61 C GLY A 7 3.508 12.747 3.502 1.00 0.00 C ATOM 62 O GLY A 7 2.476 12.534 4.137 1.00 0.00 O ATOM 0 H GLY A 7 4.540 12.336 5.733 1.00 0.00 H new ATOM 0 HA2 GLY A 7 4.291 14.674 4.074 1.00 0.00 H new ATOM 0 HA3 GLY A 7 5.504 13.565 3.466 1.00 0.00 H new ATOM 66 N LEU A 8 3.763 12.256 2.298 1.00 0.00 N ATOM 67 CA LEU A 8 2.805 11.399 1.621 1.00 0.00 C ATOM 68 C LEU A 8 1.448 12.103 1.567 1.00 0.00 C ATOM 69 O LEU A 8 1.272 13.166 2.160 1.00 0.00 O ATOM 70 CB LEU A 8 2.758 10.021 2.282 1.00 0.00 C ATOM 71 CG LEU A 8 2.809 8.820 1.334 1.00 0.00 C ATOM 72 CD1 LEU A 8 4.133 8.784 0.567 1.00 0.00 C ATOM 73 CD2 LEU A 8 2.547 7.515 2.088 1.00 0.00 C ATOM 0 H LEU A 8 4.619 12.435 1.774 1.00 0.00 H new ATOM 0 HA LEU A 8 3.113 11.221 0.591 1.00 0.00 H new ATOM 0 HB2 LEU A 8 3.593 9.945 2.978 1.00 0.00 H new ATOM 0 HB3 LEU A 8 1.844 9.954 2.872 1.00 0.00 H new ATOM 0 HG LEU A 8 2.013 8.931 0.598 1.00 0.00 H new ATOM 0 HD11 LEU A 8 4.144 7.922 -0.099 1.00 0.00 H new ATOM 0 HD12 LEU A 8 4.239 9.697 -0.019 1.00 0.00 H new ATOM 0 HD13 LEU A 8 4.960 8.708 1.273 1.00 0.00 H new ATOM 0 HD21 LEU A 8 2.589 6.678 1.391 1.00 0.00 H new ATOM 0 HD22 LEU A 8 3.305 7.383 2.860 1.00 0.00 H new ATOM 0 HD23 LEU A 8 1.561 7.554 2.550 1.00 0.00 H new ATOM 85 N ASP A 9 0.522 11.480 0.852 1.00 0.00 N ATOM 86 CA ASP A 9 -0.814 12.033 0.714 1.00 0.00 C ATOM 87 C ASP A 9 -1.835 11.033 1.262 1.00 0.00 C ATOM 88 O ASP A 9 -2.208 10.083 0.576 1.00 0.00 O ATOM 89 CB ASP A 9 -1.152 12.296 -0.755 1.00 0.00 C ATOM 90 CG ASP A 9 -2.305 13.274 -0.988 1.00 0.00 C ATOM 91 OD1 ASP A 9 -3.359 13.073 -0.347 1.00 0.00 O ATOM 92 OD2 ASP A 9 -2.107 14.202 -1.803 1.00 0.00 O ATOM 0 H ASP A 9 0.671 10.598 0.362 1.00 0.00 H new ATOM 0 HA ASP A 9 -0.849 12.972 1.266 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -0.262 12.681 -1.254 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -1.399 11.347 -1.231 1.00 0.00 H new ATOM 97 N GLU A 10 -2.257 11.282 2.493 1.00 0.00 N ATOM 98 CA GLU A 10 -3.227 10.415 3.140 1.00 0.00 C ATOM 99 C GLU A 10 -4.521 10.365 2.326 1.00 0.00 C ATOM 100 O GLU A 10 -5.019 9.285 2.011 1.00 0.00 O ATOM 101 CB GLU A 10 -3.499 10.873 4.575 1.00 0.00 C ATOM 102 CG GLU A 10 -2.287 10.612 5.472 1.00 0.00 C ATOM 103 CD GLU A 10 -1.212 11.681 5.265 1.00 0.00 C ATOM 104 OE1 GLU A 10 -1.571 12.874 5.362 1.00 0.00 O ATOM 105 OE2 GLU A 10 -0.055 11.280 5.014 1.00 0.00 O ATOM 0 H GLU A 10 -1.945 12.071 3.059 1.00 0.00 H new ATOM 0 HA GLU A 10 -2.812 9.408 3.187 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -3.739 11.936 4.582 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -4.368 10.347 4.970 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -2.598 10.602 6.516 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -1.873 9.628 5.253 1.00 0.00 H new ATOM 112 N SER A 11 -5.029 11.547 2.008 1.00 0.00 N ATOM 113 CA SER A 11 -6.256 11.651 1.236 1.00 0.00 C ATOM 114 C SER A 11 -6.279 10.581 0.143 1.00 0.00 C ATOM 115 O SER A 11 -7.318 9.975 -0.115 1.00 0.00 O ATOM 116 CB SER A 11 -6.401 13.043 0.619 1.00 0.00 C ATOM 117 OG SER A 11 -7.055 13.952 1.501 1.00 0.00 O ATOM 0 H SER A 11 -4.613 12.441 2.271 1.00 0.00 H new ATOM 0 HA SER A 11 -7.098 11.491 1.909 1.00 0.00 H new ATOM 0 HB2 SER A 11 -5.415 13.431 0.364 1.00 0.00 H new ATOM 0 HB3 SER A 11 -6.965 12.971 -0.311 1.00 0.00 H new ATOM 0 HG SER A 11 -7.127 14.830 1.072 1.00 0.00 H new ATOM 123 N VAL A 12 -5.121 10.381 -0.469 1.00 0.00 N ATOM 124 CA VAL A 12 -4.996 9.394 -1.528 1.00 0.00 C ATOM 125 C VAL A 12 -5.142 7.992 -0.934 1.00 0.00 C ATOM 126 O VAL A 12 -5.926 7.183 -1.427 1.00 0.00 O ATOM 127 CB VAL A 12 -3.675 9.593 -2.275 1.00 0.00 C ATOM 128 CG1 VAL A 12 -3.405 8.429 -3.230 1.00 0.00 C ATOM 129 CG2 VAL A 12 -3.661 10.929 -3.020 1.00 0.00 C ATOM 0 H VAL A 12 -4.261 10.885 -0.252 1.00 0.00 H new ATOM 0 HA VAL A 12 -5.792 9.519 -2.262 1.00 0.00 H new ATOM 0 HB VAL A 12 -2.873 9.614 -1.537 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -2.461 8.595 -3.748 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -3.350 7.499 -2.664 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -4.212 8.362 -3.959 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -2.711 11.045 -3.542 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -4.477 10.951 -3.742 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -3.785 11.744 -2.307 1.00 0.00 H new ATOM 139 N ILE A 13 -4.373 7.747 0.118 1.00 0.00 N ATOM 140 CA ILE A 13 -4.407 6.457 0.785 1.00 0.00 C ATOM 141 C ILE A 13 -5.851 6.122 1.165 1.00 0.00 C ATOM 142 O ILE A 13 -6.331 5.024 0.888 1.00 0.00 O ATOM 143 CB ILE A 13 -3.440 6.441 1.970 1.00 0.00 C ATOM 144 CG1 ILE A 13 -1.998 6.653 1.504 1.00 0.00 C ATOM 145 CG2 ILE A 13 -3.595 5.157 2.788 1.00 0.00 C ATOM 146 CD1 ILE A 13 -1.257 7.614 2.436 1.00 0.00 C ATOM 0 H ILE A 13 -3.723 8.420 0.524 1.00 0.00 H new ATOM 0 HA ILE A 13 -4.063 5.671 0.112 1.00 0.00 H new ATOM 0 HB ILE A 13 -3.692 7.273 2.627 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -1.477 5.696 1.474 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -1.995 7.050 0.489 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -2.896 5.172 3.624 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -4.614 5.089 3.168 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -3.385 4.295 2.155 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -0.235 7.748 2.083 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -1.767 8.577 2.445 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -1.241 7.202 3.445 1.00 0.00 H new ATOM 158 N ILE A 14 -6.503 7.089 1.794 1.00 0.00 N ATOM 159 CA ILE A 14 -7.882 6.910 2.215 1.00 0.00 C ATOM 160 C ILE A 14 -8.716 6.430 1.025 1.00 0.00 C ATOM 161 O ILE A 14 -9.470 5.465 1.140 1.00 0.00 O ATOM 162 CB ILE A 14 -8.415 8.190 2.862 1.00 0.00 C ATOM 163 CG1 ILE A 14 -7.873 8.352 4.284 1.00 0.00 C ATOM 164 CG2 ILE A 14 -9.944 8.229 2.824 1.00 0.00 C ATOM 165 CD1 ILE A 14 -6.702 9.336 4.316 1.00 0.00 C ATOM 0 H ILE A 14 -6.102 7.999 2.022 1.00 0.00 H new ATOM 0 HA ILE A 14 -7.949 6.140 2.983 1.00 0.00 H new ATOM 0 HB ILE A 14 -8.057 9.040 2.281 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -8.667 8.705 4.942 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -7.550 7.384 4.666 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -10.296 9.149 3.290 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -10.283 8.194 1.789 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -10.343 7.372 3.366 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -6.336 9.433 5.338 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -5.900 8.968 3.676 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -7.035 10.310 3.956 1.00 0.00 H new ATOM 177 N GLN A 15 -8.552 7.126 -0.091 1.00 0.00 N ATOM 178 CA GLN A 15 -9.280 6.783 -1.300 1.00 0.00 C ATOM 179 C GLN A 15 -9.121 5.293 -1.611 1.00 0.00 C ATOM 180 O GLN A 15 -10.110 4.581 -1.778 1.00 0.00 O ATOM 181 CB GLN A 15 -8.819 7.642 -2.480 1.00 0.00 C ATOM 182 CG GLN A 15 -8.952 9.132 -2.158 1.00 0.00 C ATOM 183 CD GLN A 15 -9.881 9.827 -3.155 1.00 0.00 C ATOM 184 OE1 GLN A 15 -11.095 9.740 -3.075 1.00 0.00 O ATOM 185 NE2 GLN A 15 -9.245 10.520 -4.095 1.00 0.00 N ATOM 0 H GLN A 15 -7.926 7.926 -0.183 1.00 0.00 H new ATOM 0 HA GLN A 15 -10.338 6.989 -1.135 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -7.782 7.409 -2.720 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -9.412 7.403 -3.363 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -9.340 9.256 -1.147 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -7.969 9.602 -2.183 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -8.226 10.551 -4.104 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -9.777 11.021 -4.807 1.00 0.00 H new ATOM 194 N LEU A 16 -7.869 4.866 -1.680 1.00 0.00 N ATOM 195 CA LEU A 16 -7.567 3.474 -1.968 1.00 0.00 C ATOM 196 C LEU A 16 -8.227 2.585 -0.912 1.00 0.00 C ATOM 197 O LEU A 16 -8.911 1.620 -1.247 1.00 0.00 O ATOM 198 CB LEU A 16 -6.056 3.267 -2.090 1.00 0.00 C ATOM 199 CG LEU A 16 -5.353 4.082 -3.178 1.00 0.00 C ATOM 200 CD1 LEU A 16 -3.857 4.211 -2.885 1.00 0.00 C ATOM 201 CD2 LEU A 16 -5.618 3.489 -4.563 1.00 0.00 C ATOM 0 H LEU A 16 -7.051 5.460 -1.541 1.00 0.00 H new ATOM 0 HA LEU A 16 -7.983 3.186 -2.933 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -5.598 3.507 -1.131 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -5.868 2.210 -2.277 1.00 0.00 H new ATOM 0 HG LEU A 16 -5.769 5.089 -3.174 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -3.381 4.794 -3.673 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -3.716 4.712 -1.927 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -3.407 3.219 -2.846 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -5.107 4.086 -5.318 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -5.246 2.465 -4.598 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -6.690 3.492 -4.761 1.00 0.00 H new ATOM 213 N VAL A 17 -7.997 2.943 0.343 1.00 0.00 N ATOM 214 CA VAL A 17 -8.560 2.189 1.451 1.00 0.00 C ATOM 215 C VAL A 17 -10.083 2.141 1.307 1.00 0.00 C ATOM 216 O VAL A 17 -10.710 1.136 1.639 1.00 0.00 O ATOM 217 CB VAL A 17 -8.104 2.793 2.780 1.00 0.00 C ATOM 218 CG1 VAL A 17 -8.823 2.133 3.958 1.00 0.00 C ATOM 219 CG2 VAL A 17 -6.586 2.691 2.937 1.00 0.00 C ATOM 0 H VAL A 17 -7.429 3.745 0.617 1.00 0.00 H new ATOM 0 HA VAL A 17 -8.199 1.161 1.436 1.00 0.00 H new ATOM 0 HB VAL A 17 -8.370 3.850 2.776 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -8.480 2.581 4.891 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -9.898 2.282 3.858 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -8.604 1.065 3.966 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -6.289 3.128 3.890 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -6.287 1.643 2.909 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -6.099 3.229 2.124 1.00 0.00 H new ATOM 229 N GLU A 18 -10.634 3.239 0.812 1.00 0.00 N ATOM 230 CA GLU A 18 -12.071 3.334 0.620 1.00 0.00 C ATOM 231 C GLU A 18 -12.570 2.173 -0.243 1.00 0.00 C ATOM 232 O GLU A 18 -13.643 1.627 0.006 1.00 0.00 O ATOM 233 CB GLU A 18 -12.454 4.681 0.002 1.00 0.00 C ATOM 234 CG GLU A 18 -13.437 5.436 0.898 1.00 0.00 C ATOM 235 CD GLU A 18 -14.663 4.577 1.214 1.00 0.00 C ATOM 236 OE1 GLU A 18 -15.133 3.894 0.278 1.00 0.00 O ATOM 237 OE2 GLU A 18 -15.101 4.622 2.383 1.00 0.00 O ATOM 0 H GLU A 18 -10.111 4.071 0.538 1.00 0.00 H new ATOM 0 HA GLU A 18 -12.553 3.269 1.596 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -11.558 5.283 -0.149 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -12.900 4.521 -0.979 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -12.942 5.724 1.825 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -13.751 6.356 0.405 1.00 0.00 H new ATOM 244 N MET A 19 -11.766 1.831 -1.239 1.00 0.00 N ATOM 245 CA MET A 19 -12.112 0.744 -2.140 1.00 0.00 C ATOM 246 C MET A 19 -12.073 -0.603 -1.415 1.00 0.00 C ATOM 247 O MET A 19 -12.505 -1.617 -1.960 1.00 0.00 O ATOM 248 CB MET A 19 -11.131 0.722 -3.313 1.00 0.00 C ATOM 249 CG MET A 19 -11.577 1.680 -4.419 1.00 0.00 C ATOM 250 SD MET A 19 -10.922 1.146 -5.991 1.00 0.00 S ATOM 251 CE MET A 19 -9.631 2.357 -6.217 1.00 0.00 C ATOM 0 H MET A 19 -10.876 2.287 -1.442 1.00 0.00 H new ATOM 0 HA MET A 19 -13.126 0.908 -2.506 1.00 0.00 H new ATOM 0 HB2 MET A 19 -10.136 1.001 -2.965 1.00 0.00 H new ATOM 0 HB3 MET A 19 -11.058 -0.290 -3.711 1.00 0.00 H new ATOM 0 HG2 MET A 19 -12.666 1.716 -4.463 1.00 0.00 H new ATOM 0 HG3 MET A 19 -11.233 2.690 -4.197 1.00 0.00 H new ATOM 0 HE1 MET A 19 -8.774 1.889 -6.702 1.00 0.00 H new ATOM 0 HE2 MET A 19 -10.001 3.171 -6.840 1.00 0.00 H new ATOM 0 HE3 MET A 19 -9.328 2.751 -5.247 1.00 0.00 H new ATOM 261 N GLY A 20 -11.550 -0.569 -0.198 1.00 0.00 N ATOM 262 CA GLY A 20 -11.449 -1.774 0.607 1.00 0.00 C ATOM 263 C GLY A 20 -10.035 -2.357 0.545 1.00 0.00 C ATOM 264 O GLY A 20 -9.860 -3.541 0.260 1.00 0.00 O ATOM 0 H GLY A 20 -11.192 0.274 0.250 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -11.708 -1.548 1.641 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -12.167 -2.514 0.253 1.00 0.00 H new ATOM 268 N PHE A 21 -9.063 -1.499 0.817 1.00 0.00 N ATOM 269 CA PHE A 21 -7.671 -1.914 0.796 1.00 0.00 C ATOM 270 C PHE A 21 -6.967 -1.538 2.102 1.00 0.00 C ATOM 271 O PHE A 21 -7.426 -0.657 2.827 1.00 0.00 O ATOM 272 CB PHE A 21 -7.001 -1.173 -0.363 1.00 0.00 C ATOM 273 CG PHE A 21 -7.228 -1.822 -1.730 1.00 0.00 C ATOM 274 CD1 PHE A 21 -6.875 -3.119 -1.934 1.00 0.00 C ATOM 275 CD2 PHE A 21 -7.781 -1.101 -2.741 1.00 0.00 C ATOM 276 CE1 PHE A 21 -7.085 -3.721 -3.202 1.00 0.00 C ATOM 277 CE2 PHE A 21 -7.992 -1.703 -4.010 1.00 0.00 C ATOM 278 CZ PHE A 21 -7.639 -3.000 -4.214 1.00 0.00 C ATOM 0 H PHE A 21 -9.212 -0.518 1.053 1.00 0.00 H new ATOM 0 HA PHE A 21 -7.607 -2.996 0.679 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -7.375 -0.150 -0.391 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -5.929 -1.115 -0.173 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -6.435 -3.691 -1.131 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -8.060 -0.070 -2.579 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -6.805 -4.751 -3.364 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -8.433 -1.131 -4.813 1.00 0.00 H new ATOM 0 HZ PHE A 21 -7.798 -3.458 -5.179 1.00 0.00 H new ATOM 288 N PRO A 22 -5.835 -2.242 2.368 1.00 0.00 N ATOM 289 CA PRO A 22 -5.063 -1.991 3.573 1.00 0.00 C ATOM 290 C PRO A 22 -4.266 -0.691 3.453 1.00 0.00 C ATOM 291 O PRO A 22 -3.747 -0.373 2.384 1.00 0.00 O ATOM 292 CB PRO A 22 -4.178 -3.217 3.736 1.00 0.00 C ATOM 293 CG PRO A 22 -4.148 -3.893 2.375 1.00 0.00 C ATOM 294 CD PRO A 22 -5.261 -3.293 1.531 1.00 0.00 C ATOM 0 HA PRO A 22 -5.691 -1.849 4.453 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -3.174 -2.935 4.054 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -4.577 -3.888 4.497 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -3.181 -3.742 1.895 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -4.287 -4.969 2.480 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -4.874 -2.888 0.596 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -6.008 -4.043 1.269 1.00 0.00 H new ATOM 302 N MET A 23 -4.195 0.027 4.564 1.00 0.00 N ATOM 303 CA MET A 23 -3.471 1.286 4.597 1.00 0.00 C ATOM 304 C MET A 23 -1.998 1.081 4.236 1.00 0.00 C ATOM 305 O MET A 23 -1.528 1.589 3.219 1.00 0.00 O ATOM 306 CB MET A 23 -3.573 1.898 5.996 1.00 0.00 C ATOM 307 CG MET A 23 -5.031 1.978 6.454 1.00 0.00 C ATOM 308 SD MET A 23 -5.311 3.504 7.336 1.00 0.00 S ATOM 309 CE MET A 23 -6.156 4.441 6.073 1.00 0.00 C ATOM 0 H MET A 23 -4.627 -0.239 5.449 1.00 0.00 H new ATOM 0 HA MET A 23 -3.916 1.958 3.863 1.00 0.00 H new ATOM 0 HB2 MET A 23 -2.999 1.298 6.702 1.00 0.00 H new ATOM 0 HB3 MET A 23 -3.133 2.895 5.994 1.00 0.00 H new ATOM 0 HG2 MET A 23 -5.695 1.920 5.592 1.00 0.00 H new ATOM 0 HG3 MET A 23 -5.266 1.129 7.096 1.00 0.00 H new ATOM 0 HE1 MET A 23 -6.422 5.423 6.465 1.00 0.00 H new ATOM 0 HE2 MET A 23 -5.502 4.560 5.209 1.00 0.00 H new ATOM 0 HE3 MET A 23 -7.061 3.913 5.772 1.00 0.00 H new ATOM 319 N ASP A 24 -1.311 0.336 5.089 1.00 0.00 N ATOM 320 CA ASP A 24 0.099 0.057 4.873 1.00 0.00 C ATOM 321 C ASP A 24 0.341 -0.195 3.383 1.00 0.00 C ATOM 322 O ASP A 24 1.088 0.541 2.739 1.00 0.00 O ATOM 323 CB ASP A 24 0.538 -1.190 5.641 1.00 0.00 C ATOM 324 CG ASP A 24 0.077 -1.247 7.099 1.00 0.00 C ATOM 325 OD1 ASP A 24 0.242 -0.217 7.787 1.00 0.00 O ATOM 326 OD2 ASP A 24 -0.429 -2.320 7.493 1.00 0.00 O ATOM 0 H ASP A 24 -1.704 -0.083 5.931 1.00 0.00 H new ATOM 0 HA ASP A 24 0.671 0.916 5.225 1.00 0.00 H new ATOM 0 HB2 ASP A 24 0.160 -2.070 5.121 1.00 0.00 H new ATOM 0 HB3 ASP A 24 1.626 -1.249 5.617 1.00 0.00 H new ATOM 331 N ALA A 25 -0.303 -1.237 2.880 1.00 0.00 N ATOM 332 CA ALA A 25 -0.166 -1.596 1.478 1.00 0.00 C ATOM 333 C ALA A 25 -0.368 -0.348 0.615 1.00 0.00 C ATOM 334 O ALA A 25 0.407 -0.094 -0.305 1.00 0.00 O ATOM 335 CB ALA A 25 -1.160 -2.708 1.136 1.00 0.00 C ATOM 0 H ALA A 25 -0.921 -1.845 3.418 1.00 0.00 H new ATOM 0 HA ALA A 25 0.834 -1.979 1.276 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -1.057 -2.977 0.085 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -0.956 -3.581 1.756 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -2.175 -2.359 1.324 1.00 0.00 H new ATOM 341 N CYS A 26 -1.414 0.396 0.943 1.00 0.00 N ATOM 342 CA CYS A 26 -1.727 1.611 0.210 1.00 0.00 C ATOM 343 C CYS A 26 -0.536 2.564 0.328 1.00 0.00 C ATOM 344 O CYS A 26 -0.048 3.079 -0.677 1.00 0.00 O ATOM 345 CB CYS A 26 -3.024 2.253 0.707 1.00 0.00 C ATOM 346 SG CYS A 26 -4.466 1.429 -0.061 1.00 0.00 S ATOM 0 H CYS A 26 -2.055 0.181 1.706 1.00 0.00 H new ATOM 0 HA CYS A 26 -1.896 1.372 -0.840 1.00 0.00 H new ATOM 0 HB2 CYS A 26 -3.086 2.174 1.792 1.00 0.00 H new ATOM 0 HB3 CYS A 26 -3.030 3.315 0.464 1.00 0.00 H new ATOM 0 HG CYS A 26 -4.896 0.486 0.724 1.00 0.00 H new ATOM 352 N ARG A 27 -0.104 2.770 1.563 1.00 0.00 N ATOM 353 CA ARG A 27 1.021 3.652 1.825 1.00 0.00 C ATOM 354 C ARG A 27 2.262 3.168 1.072 1.00 0.00 C ATOM 355 O ARG A 27 3.028 3.975 0.548 1.00 0.00 O ATOM 356 CB ARG A 27 1.333 3.717 3.321 1.00 0.00 C ATOM 357 CG ARG A 27 0.537 4.834 3.999 1.00 0.00 C ATOM 358 CD ARG A 27 0.574 4.687 5.522 1.00 0.00 C ATOM 359 NE ARG A 27 1.395 5.766 6.115 1.00 0.00 N ATOM 360 CZ ARG A 27 1.517 5.979 7.432 1.00 0.00 C ATOM 361 NH1 ARG A 27 0.872 5.190 8.301 1.00 0.00 N ATOM 362 NH2 ARG A 27 2.284 6.983 7.880 1.00 0.00 N ATOM 0 H ARG A 27 -0.513 2.341 2.394 1.00 0.00 H new ATOM 0 HA ARG A 27 0.748 4.649 1.479 1.00 0.00 H new ATOM 0 HB2 ARG A 27 1.095 2.761 3.788 1.00 0.00 H new ATOM 0 HB3 ARG A 27 2.400 3.886 3.467 1.00 0.00 H new ATOM 0 HG2 ARG A 27 0.947 5.803 3.713 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -0.496 4.811 3.653 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -0.438 4.726 5.924 1.00 0.00 H new ATOM 0 HD3 ARG A 27 0.987 3.715 5.792 1.00 0.00 H new ATOM 0 HE ARG A 27 1.899 6.386 5.482 1.00 0.00 H new ATOM 0 HH11 ARG A 27 0.288 4.427 7.960 1.00 0.00 H new ATOM 0 HH12 ARG A 27 0.965 5.352 9.304 1.00 0.00 H new ATOM 0 HH21 ARG A 27 2.774 7.585 7.218 1.00 0.00 H new ATOM 0 HH22 ARG A 27 2.377 7.145 8.883 1.00 0.00 H new ATOM 376 N LYS A 28 2.421 1.853 1.042 1.00 0.00 N ATOM 377 CA LYS A 28 3.556 1.252 0.362 1.00 0.00 C ATOM 378 C LYS A 28 3.626 1.782 -1.071 1.00 0.00 C ATOM 379 O LYS A 28 4.667 2.272 -1.506 1.00 0.00 O ATOM 380 CB LYS A 28 3.486 -0.274 0.451 1.00 0.00 C ATOM 381 CG LYS A 28 3.924 -0.764 1.833 1.00 0.00 C ATOM 382 CD LYS A 28 4.429 -2.207 1.768 1.00 0.00 C ATOM 383 CE LYS A 28 3.446 -3.098 1.007 1.00 0.00 C ATOM 384 NZ LYS A 28 4.047 -4.425 0.743 1.00 0.00 N ATOM 0 H LYS A 28 1.783 1.187 1.477 1.00 0.00 H new ATOM 0 HA LYS A 28 4.488 1.535 0.852 1.00 0.00 H new ATOM 0 HB2 LYS A 28 2.468 -0.607 0.249 1.00 0.00 H new ATOM 0 HB3 LYS A 28 4.124 -0.716 -0.314 1.00 0.00 H new ATOM 0 HG2 LYS A 28 4.711 -0.117 2.220 1.00 0.00 H new ATOM 0 HG3 LYS A 28 3.087 -0.699 2.528 1.00 0.00 H new ATOM 0 HD2 LYS A 28 5.403 -2.234 1.279 1.00 0.00 H new ATOM 0 HD3 LYS A 28 4.569 -2.593 2.778 1.00 0.00 H new ATOM 0 HE2 LYS A 28 2.530 -3.216 1.586 1.00 0.00 H new ATOM 0 HE3 LYS A 28 3.170 -2.623 0.065 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 4.321 -4.489 -0.258 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 4.888 -4.550 1.341 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 3.354 -5.169 0.960 1.00 0.00 H new ATOM 398 N ALA A 29 2.503 1.667 -1.766 1.00 0.00 N ATOM 399 CA ALA A 29 2.424 2.129 -3.142 1.00 0.00 C ATOM 400 C ALA A 29 2.916 3.576 -3.218 1.00 0.00 C ATOM 401 O ALA A 29 3.993 3.842 -3.750 1.00 0.00 O ATOM 402 CB ALA A 29 0.990 1.972 -3.651 1.00 0.00 C ATOM 0 H ALA A 29 1.641 1.261 -1.402 1.00 0.00 H new ATOM 0 HA ALA A 29 3.066 1.529 -3.787 1.00 0.00 H new ATOM 0 HB1 ALA A 29 0.930 2.318 -4.683 1.00 0.00 H new ATOM 0 HB2 ALA A 29 0.700 0.922 -3.603 1.00 0.00 H new ATOM 0 HB3 ALA A 29 0.317 2.563 -3.030 1.00 0.00 H new ATOM 408 N VAL A 30 2.102 4.472 -2.680 1.00 0.00 N ATOM 409 CA VAL A 30 2.441 5.885 -2.681 1.00 0.00 C ATOM 410 C VAL A 30 3.918 6.052 -2.319 1.00 0.00 C ATOM 411 O VAL A 30 4.688 6.628 -3.086 1.00 0.00 O ATOM 412 CB VAL A 30 1.505 6.648 -1.741 1.00 0.00 C ATOM 413 CG1 VAL A 30 1.759 8.155 -1.818 1.00 0.00 C ATOM 414 CG2 VAL A 30 0.041 6.323 -2.042 1.00 0.00 C ATOM 0 H VAL A 30 1.209 4.247 -2.241 1.00 0.00 H new ATOM 0 HA VAL A 30 2.300 6.310 -3.675 1.00 0.00 H new ATOM 0 HB VAL A 30 1.717 6.324 -0.722 1.00 0.00 H new ATOM 0 HG11 VAL A 30 1.081 8.673 -1.140 1.00 0.00 H new ATOM 0 HG12 VAL A 30 2.789 8.365 -1.531 1.00 0.00 H new ATOM 0 HG13 VAL A 30 1.588 8.501 -2.837 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -0.603 6.878 -1.360 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -0.190 6.604 -3.069 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -0.129 5.254 -1.912 1.00 0.00 H new ATOM 424 N TYR A 31 4.269 5.537 -1.150 1.00 0.00 N ATOM 425 CA TYR A 31 5.641 5.621 -0.676 1.00 0.00 C ATOM 426 C TYR A 31 6.629 5.287 -1.796 1.00 0.00 C ATOM 427 O TYR A 31 7.414 6.138 -2.210 1.00 0.00 O ATOM 428 CB TYR A 31 5.770 4.573 0.431 1.00 0.00 C ATOM 429 CG TYR A 31 7.197 4.388 0.949 1.00 0.00 C ATOM 430 CD1 TYR A 31 7.893 5.466 1.457 1.00 0.00 C ATOM 431 CD2 TYR A 31 7.790 3.142 0.908 1.00 0.00 C ATOM 432 CE1 TYR A 31 9.236 5.292 1.944 1.00 0.00 C ATOM 433 CE2 TYR A 31 9.134 2.967 1.395 1.00 0.00 C ATOM 434 CZ TYR A 31 9.791 4.051 1.889 1.00 0.00 C ATOM 435 OH TYR A 31 11.060 3.886 2.350 1.00 0.00 O ATOM 0 H TYR A 31 3.627 5.060 -0.517 1.00 0.00 H new ATOM 0 HA TYR A 31 5.865 6.629 -0.326 1.00 0.00 H new ATOM 0 HB2 TYR A 31 5.126 4.858 1.263 1.00 0.00 H new ATOM 0 HB3 TYR A 31 5.403 3.617 0.057 1.00 0.00 H new ATOM 0 HD1 TYR A 31 7.429 6.441 1.489 1.00 0.00 H new ATOM 0 HD2 TYR A 31 7.246 2.298 0.511 1.00 0.00 H new ATOM 0 HE1 TYR A 31 9.791 6.128 2.344 1.00 0.00 H new ATOM 0 HE2 TYR A 31 9.609 1.998 1.369 1.00 0.00 H new ATOM 0 HH TYR A 31 11.325 2.948 2.249 1.00 0.00 H new ATOM 445 N TYR A 32 6.557 4.045 -2.254 1.00 0.00 N ATOM 446 CA TYR A 32 7.435 3.588 -3.317 1.00 0.00 C ATOM 447 C TYR A 32 7.365 4.523 -4.526 1.00 0.00 C ATOM 448 O TYR A 32 8.386 5.044 -4.973 1.00 0.00 O ATOM 449 CB TYR A 32 6.919 2.207 -3.725 1.00 0.00 C ATOM 450 CG TYR A 32 7.287 1.091 -2.746 1.00 0.00 C ATOM 451 CD1 TYR A 32 8.603 0.903 -2.376 1.00 0.00 C ATOM 452 CD2 TYR A 32 6.302 0.271 -2.232 1.00 0.00 C ATOM 453 CE1 TYR A 32 8.949 -0.148 -1.454 1.00 0.00 C ATOM 454 CE2 TYR A 32 6.648 -0.779 -1.309 1.00 0.00 C ATOM 455 CZ TYR A 32 7.954 -0.937 -0.966 1.00 0.00 C ATOM 456 OH TYR A 32 8.281 -1.929 -0.095 1.00 0.00 O ATOM 0 H TYR A 32 5.904 3.342 -1.908 1.00 0.00 H new ATOM 0 HA TYR A 32 8.470 3.564 -2.976 1.00 0.00 H new ATOM 0 HB2 TYR A 32 5.834 2.249 -3.820 1.00 0.00 H new ATOM 0 HB3 TYR A 32 7.316 1.958 -4.709 1.00 0.00 H new ATOM 0 HD1 TYR A 32 9.374 1.544 -2.778 1.00 0.00 H new ATOM 0 HD2 TYR A 32 5.272 0.417 -2.522 1.00 0.00 H new ATOM 0 HE1 TYR A 32 9.975 -0.306 -1.157 1.00 0.00 H new ATOM 0 HE2 TYR A 32 5.887 -1.426 -0.899 1.00 0.00 H new ATOM 0 HH TYR A 32 7.470 -2.411 0.171 1.00 0.00 H new ATOM 466 N THR A 33 6.150 4.708 -5.022 1.00 0.00 N ATOM 467 CA THR A 33 5.934 5.571 -6.171 1.00 0.00 C ATOM 468 C THR A 33 6.436 6.986 -5.876 1.00 0.00 C ATOM 469 O THR A 33 6.684 7.764 -6.796 1.00 0.00 O ATOM 470 CB THR A 33 4.448 5.515 -6.530 1.00 0.00 C ATOM 471 OG1 THR A 33 3.782 5.657 -5.278 1.00 0.00 O ATOM 472 CG2 THR A 33 4.016 4.134 -7.027 1.00 0.00 C ATOM 0 H THR A 33 5.305 4.275 -4.649 1.00 0.00 H new ATOM 0 HA THR A 33 6.505 5.231 -7.035 1.00 0.00 H new ATOM 0 HB THR A 33 4.233 6.260 -7.296 1.00 0.00 H new ATOM 0 HG1 THR A 33 4.207 6.372 -4.761 1.00 0.00 H new ATOM 0 HG21 THR A 33 2.953 4.150 -7.268 1.00 0.00 H new ATOM 0 HG22 THR A 33 4.586 3.874 -7.919 1.00 0.00 H new ATOM 0 HG23 THR A 33 4.201 3.393 -6.249 1.00 0.00 H new ATOM 480 N GLY A 34 6.569 7.276 -4.591 1.00 0.00 N ATOM 481 CA GLY A 34 7.037 8.584 -4.164 1.00 0.00 C ATOM 482 C GLY A 34 5.979 9.658 -4.427 1.00 0.00 C ATOM 483 O GLY A 34 6.259 10.664 -5.076 1.00 0.00 O ATOM 0 H GLY A 34 6.361 6.628 -3.831 1.00 0.00 H new ATOM 0 HA2 GLY A 34 7.278 8.559 -3.101 1.00 0.00 H new ATOM 0 HA3 GLY A 34 7.956 8.836 -4.694 1.00 0.00 H new ATOM 487 N ASN A 35 4.785 9.406 -3.910 1.00 0.00 N ATOM 488 CA ASN A 35 3.684 10.339 -4.082 1.00 0.00 C ATOM 489 C ASN A 35 3.652 10.822 -5.533 1.00 0.00 C ATOM 490 O ASN A 35 4.308 11.803 -5.880 1.00 0.00 O ATOM 491 CB ASN A 35 3.854 11.563 -3.180 1.00 0.00 C ATOM 492 CG ASN A 35 2.601 12.441 -3.207 1.00 0.00 C ATOM 493 OD1 ASN A 35 2.019 12.705 -4.246 1.00 0.00 O ATOM 494 ND2 ASN A 35 2.221 12.878 -2.009 1.00 0.00 N ATOM 0 H ASN A 35 4.556 8.570 -3.372 1.00 0.00 H new ATOM 0 HA ASN A 35 2.760 9.823 -3.820 1.00 0.00 H new ATOM 0 HB2 ASN A 35 4.055 11.241 -2.158 1.00 0.00 H new ATOM 0 HB3 ASN A 35 4.717 12.144 -3.507 1.00 0.00 H new ATOM 0 HD21 ASN A 35 1.397 13.472 -1.921 1.00 0.00 H new ATOM 0 HD22 ASN A 35 2.754 12.619 -1.179 1.00 0.00 H new ATOM 501 N SER A 36 2.881 10.110 -6.343 1.00 0.00 N ATOM 502 CA SER A 36 2.755 10.454 -7.749 1.00 0.00 C ATOM 503 C SER A 36 1.295 10.328 -8.189 1.00 0.00 C ATOM 504 O SER A 36 1.008 9.783 -9.254 1.00 0.00 O ATOM 505 CB SER A 36 3.649 9.565 -8.616 1.00 0.00 C ATOM 506 OG SER A 36 5.013 9.974 -8.571 1.00 0.00 O ATOM 0 H SER A 36 2.338 9.297 -6.052 1.00 0.00 H new ATOM 0 HA SER A 36 3.080 11.486 -7.879 1.00 0.00 H new ATOM 0 HB2 SER A 36 3.569 8.532 -8.279 1.00 0.00 H new ATOM 0 HB3 SER A 36 3.296 9.592 -9.647 1.00 0.00 H new ATOM 0 HG SER A 36 5.534 9.321 -8.058 1.00 0.00 H new ATOM 512 N GLY A 37 0.410 10.842 -7.347 1.00 0.00 N ATOM 513 CA GLY A 37 -1.013 10.794 -7.636 1.00 0.00 C ATOM 514 C GLY A 37 -1.602 9.431 -7.265 1.00 0.00 C ATOM 515 O GLY A 37 -0.865 8.477 -7.021 1.00 0.00 O ATOM 0 H GLY A 37 0.651 11.294 -6.465 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -1.527 11.579 -7.082 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -1.179 10.990 -8.695 1.00 0.00 H new ATOM 519 N ALA A 38 -2.926 9.383 -7.233 1.00 0.00 N ATOM 520 CA ALA A 38 -3.623 8.154 -6.896 1.00 0.00 C ATOM 521 C ALA A 38 -3.513 7.173 -8.065 1.00 0.00 C ATOM 522 O ALA A 38 -3.082 6.035 -7.887 1.00 0.00 O ATOM 523 CB ALA A 38 -5.075 8.472 -6.536 1.00 0.00 C ATOM 0 H ALA A 38 -3.534 10.176 -7.435 1.00 0.00 H new ATOM 0 HA ALA A 38 -3.168 7.681 -6.026 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -5.598 7.549 -6.283 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -5.098 9.148 -5.681 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -5.565 8.945 -7.387 1.00 0.00 H new ATOM 529 N GLU A 39 -3.910 7.651 -9.235 1.00 0.00 N ATOM 530 CA GLU A 39 -3.862 6.831 -10.434 1.00 0.00 C ATOM 531 C GLU A 39 -2.525 6.093 -10.518 1.00 0.00 C ATOM 532 O GLU A 39 -2.493 4.865 -10.589 1.00 0.00 O ATOM 533 CB GLU A 39 -4.102 7.676 -11.687 1.00 0.00 C ATOM 534 CG GLU A 39 -5.163 7.037 -12.584 1.00 0.00 C ATOM 535 CD GLU A 39 -4.698 6.998 -14.041 1.00 0.00 C ATOM 536 OE1 GLU A 39 -3.474 6.843 -14.242 1.00 0.00 O ATOM 537 OE2 GLU A 39 -5.576 7.123 -14.921 1.00 0.00 O ATOM 0 H GLU A 39 -4.266 8.596 -9.379 1.00 0.00 H new ATOM 0 HA GLU A 39 -4.661 6.091 -10.377 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -4.420 8.678 -11.399 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -3.170 7.784 -12.241 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -5.375 6.025 -12.239 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -6.094 7.600 -12.510 1.00 0.00 H new ATOM 544 N ALA A 40 -1.453 6.872 -10.509 1.00 0.00 N ATOM 545 CA ALA A 40 -0.117 6.307 -10.583 1.00 0.00 C ATOM 546 C ALA A 40 0.069 5.295 -9.451 1.00 0.00 C ATOM 547 O ALA A 40 0.389 4.133 -9.699 1.00 0.00 O ATOM 548 CB ALA A 40 0.917 7.434 -10.533 1.00 0.00 C ATOM 0 H ALA A 40 -1.483 7.890 -10.452 1.00 0.00 H new ATOM 0 HA ALA A 40 0.023 5.776 -11.525 1.00 0.00 H new ATOM 0 HB1 ALA A 40 1.920 7.010 -10.588 1.00 0.00 H new ATOM 0 HB2 ALA A 40 0.761 8.109 -11.375 1.00 0.00 H new ATOM 0 HB3 ALA A 40 0.808 7.987 -9.600 1.00 0.00 H new ATOM 554 N ALA A 41 -0.140 5.772 -8.233 1.00 0.00 N ATOM 555 CA ALA A 41 0.000 4.923 -7.062 1.00 0.00 C ATOM 556 C ALA A 41 -0.770 3.620 -7.288 1.00 0.00 C ATOM 557 O ALA A 41 -0.201 2.534 -7.188 1.00 0.00 O ATOM 558 CB ALA A 41 -0.484 5.679 -5.823 1.00 0.00 C ATOM 0 H ALA A 41 -0.405 6.736 -8.031 1.00 0.00 H new ATOM 0 HA ALA A 41 1.046 4.664 -6.898 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -0.379 5.042 -4.944 1.00 0.00 H new ATOM 0 HB2 ALA A 41 0.113 6.581 -5.691 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -1.531 5.953 -5.950 1.00 0.00 H new ATOM 564 N MET A 42 -2.051 3.772 -7.587 1.00 0.00 N ATOM 565 CA MET A 42 -2.905 2.620 -7.827 1.00 0.00 C ATOM 566 C MET A 42 -2.174 1.558 -8.651 1.00 0.00 C ATOM 567 O MET A 42 -2.062 0.408 -8.230 1.00 0.00 O ATOM 568 CB MET A 42 -4.166 3.065 -8.571 1.00 0.00 C ATOM 569 CG MET A 42 -5.419 2.792 -7.737 1.00 0.00 C ATOM 570 SD MET A 42 -6.840 2.635 -8.805 1.00 0.00 S ATOM 571 CE MET A 42 -7.175 4.357 -9.132 1.00 0.00 C ATOM 0 H MET A 42 -2.519 4.675 -7.669 1.00 0.00 H new ATOM 0 HA MET A 42 -3.175 2.185 -6.865 1.00 0.00 H new ATOM 0 HB2 MET A 42 -4.101 4.129 -8.800 1.00 0.00 H new ATOM 0 HB3 MET A 42 -4.236 2.538 -9.523 1.00 0.00 H new ATOM 0 HG2 MET A 42 -5.288 1.879 -7.156 1.00 0.00 H new ATOM 0 HG3 MET A 42 -5.576 3.603 -7.025 1.00 0.00 H new ATOM 0 HE1 MET A 42 -8.149 4.622 -8.722 1.00 0.00 H new ATOM 0 HE2 MET A 42 -6.405 4.972 -8.666 1.00 0.00 H new ATOM 0 HE3 MET A 42 -7.175 4.530 -10.208 1.00 0.00 H new ATOM 581 N ASN A 43 -1.694 1.982 -9.811 1.00 0.00 N ATOM 582 CA ASN A 43 -0.977 1.082 -10.698 1.00 0.00 C ATOM 583 C ASN A 43 -0.066 0.175 -9.869 1.00 0.00 C ATOM 584 O ASN A 43 -0.189 -1.048 -9.920 1.00 0.00 O ATOM 585 CB ASN A 43 -0.100 1.860 -11.682 1.00 0.00 C ATOM 586 CG ASN A 43 -0.220 1.287 -13.095 1.00 0.00 C ATOM 587 OD1 ASN A 43 -0.556 0.132 -13.298 1.00 0.00 O ATOM 588 ND2 ASN A 43 0.073 2.156 -14.058 1.00 0.00 N ATOM 0 H ASN A 43 -1.788 2.937 -10.157 1.00 0.00 H new ATOM 0 HA ASN A 43 -1.712 0.499 -11.253 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -0.394 2.910 -11.685 1.00 0.00 H new ATOM 0 HB3 ASN A 43 0.940 1.821 -11.357 1.00 0.00 H new ATOM 0 HD21 ASN A 43 0.023 1.870 -15.036 1.00 0.00 H new ATOM 0 HD22 ASN A 43 0.348 3.109 -13.819 1.00 0.00 H new ATOM 595 N TRP A 44 0.829 0.809 -9.125 1.00 0.00 N ATOM 596 CA TRP A 44 1.760 0.074 -8.286 1.00 0.00 C ATOM 597 C TRP A 44 0.969 -0.985 -7.516 1.00 0.00 C ATOM 598 O TRP A 44 1.377 -2.143 -7.449 1.00 0.00 O ATOM 599 CB TRP A 44 2.539 1.021 -7.371 1.00 0.00 C ATOM 600 CG TRP A 44 3.555 0.319 -6.468 1.00 0.00 C ATOM 601 CD1 TRP A 44 4.878 0.207 -6.646 1.00 0.00 C ATOM 602 CD2 TRP A 44 3.275 -0.369 -5.231 1.00 0.00 C ATOM 603 NE1 TRP A 44 5.469 -0.499 -5.619 1.00 0.00 N ATOM 604 CE2 TRP A 44 4.463 -0.860 -4.730 1.00 0.00 C ATOM 605 CE3 TRP A 44 2.057 -0.568 -4.556 1.00 0.00 C ATOM 606 CZ2 TRP A 44 4.551 -1.583 -3.535 1.00 0.00 C ATOM 607 CZ3 TRP A 44 2.162 -1.293 -3.363 1.00 0.00 C ATOM 608 CH2 TRP A 44 3.350 -1.795 -2.846 1.00 0.00 C ATOM 0 H TRP A 44 0.929 1.823 -9.086 1.00 0.00 H new ATOM 0 HA TRP A 44 2.513 -0.428 -8.894 1.00 0.00 H new ATOM 0 HB2 TRP A 44 3.060 1.755 -7.985 1.00 0.00 H new ATOM 0 HB3 TRP A 44 1.833 1.570 -6.748 1.00 0.00 H new ATOM 0 HD1 TRP A 44 5.415 0.618 -7.488 1.00 0.00 H new ATOM 0 HE1 TRP A 44 6.461 -0.716 -5.528 1.00 0.00 H new ATOM 0 HE3 TRP A 44 1.116 -0.191 -4.928 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 5.494 -1.957 -3.164 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 1.255 -1.475 -2.805 1.00 0.00 H new ATOM 0 HH2 TRP A 44 3.347 -2.346 -1.917 1.00 0.00 H new ATOM 619 N VAL A 45 -0.149 -0.549 -6.953 1.00 0.00 N ATOM 620 CA VAL A 45 -1.001 -1.445 -6.190 1.00 0.00 C ATOM 621 C VAL A 45 -1.560 -2.525 -7.119 1.00 0.00 C ATOM 622 O VAL A 45 -1.510 -3.712 -6.798 1.00 0.00 O ATOM 623 CB VAL A 45 -2.094 -0.647 -5.477 1.00 0.00 C ATOM 624 CG1 VAL A 45 -2.969 -1.561 -4.617 1.00 0.00 C ATOM 625 CG2 VAL A 45 -1.490 0.481 -4.638 1.00 0.00 C ATOM 0 H VAL A 45 -0.484 0.413 -7.010 1.00 0.00 H new ATOM 0 HA VAL A 45 -0.426 -1.949 -5.414 1.00 0.00 H new ATOM 0 HB VAL A 45 -2.729 -0.195 -6.239 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -3.738 -0.968 -4.121 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -3.442 -2.312 -5.249 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -2.352 -2.055 -3.867 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -2.288 1.033 -4.142 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -0.821 0.059 -3.889 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -0.930 1.156 -5.285 1.00 0.00 H new ATOM 635 N MET A 46 -2.079 -2.076 -8.252 1.00 0.00 N ATOM 636 CA MET A 46 -2.646 -2.989 -9.230 1.00 0.00 C ATOM 637 C MET A 46 -1.648 -4.090 -9.595 1.00 0.00 C ATOM 638 O MET A 46 -2.042 -5.167 -10.041 1.00 0.00 O ATOM 639 CB MET A 46 -3.033 -2.212 -10.490 1.00 0.00 C ATOM 640 CG MET A 46 -4.080 -1.142 -10.174 1.00 0.00 C ATOM 641 SD MET A 46 -5.505 -1.890 -9.404 1.00 0.00 S ATOM 642 CE MET A 46 -5.840 -0.683 -8.132 1.00 0.00 C ATOM 0 H MET A 46 -2.119 -1.091 -8.515 1.00 0.00 H new ATOM 0 HA MET A 46 -3.530 -3.455 -8.795 1.00 0.00 H new ATOM 0 HB2 MET A 46 -2.147 -1.744 -10.919 1.00 0.00 H new ATOM 0 HB3 MET A 46 -3.425 -2.899 -11.240 1.00 0.00 H new ATOM 0 HG2 MET A 46 -3.653 -0.388 -9.513 1.00 0.00 H new ATOM 0 HG3 MET A 46 -4.378 -0.631 -11.090 1.00 0.00 H new ATOM 0 HE1 MET A 46 -5.880 -1.178 -7.162 1.00 0.00 H new ATOM 0 HE2 MET A 46 -5.049 0.067 -8.125 1.00 0.00 H new ATOM 0 HE3 MET A 46 -6.796 -0.200 -8.332 1.00 0.00 H new ATOM 652 N SER A 47 -0.375 -3.782 -9.393 1.00 0.00 N ATOM 653 CA SER A 47 0.682 -4.732 -9.696 1.00 0.00 C ATOM 654 C SER A 47 1.012 -5.561 -8.453 1.00 0.00 C ATOM 655 O SER A 47 1.105 -6.785 -8.526 1.00 0.00 O ATOM 656 CB SER A 47 1.935 -4.017 -10.205 1.00 0.00 C ATOM 657 OG SER A 47 2.449 -4.619 -11.390 1.00 0.00 O ATOM 0 H SER A 47 -0.052 -2.888 -9.023 1.00 0.00 H new ATOM 0 HA SER A 47 0.330 -5.396 -10.485 1.00 0.00 H new ATOM 0 HB2 SER A 47 1.701 -2.971 -10.402 1.00 0.00 H new ATOM 0 HB3 SER A 47 2.701 -4.031 -9.430 1.00 0.00 H new ATOM 0 HG SER A 47 3.247 -4.133 -11.684 1.00 0.00 H new ATOM 663 N HIS A 48 1.179 -4.861 -7.341 1.00 0.00 N ATOM 664 CA HIS A 48 1.497 -5.517 -6.084 1.00 0.00 C ATOM 665 C HIS A 48 0.337 -6.427 -5.673 1.00 0.00 C ATOM 666 O HIS A 48 0.539 -7.608 -5.394 1.00 0.00 O ATOM 667 CB HIS A 48 1.853 -4.489 -5.009 1.00 0.00 C ATOM 668 CG HIS A 48 3.318 -4.124 -4.969 1.00 0.00 C ATOM 669 ND1 HIS A 48 4.168 -4.541 -3.960 1.00 0.00 N ATOM 670 CD2 HIS A 48 4.074 -3.378 -5.825 1.00 0.00 C ATOM 671 CE1 HIS A 48 5.378 -4.061 -4.207 1.00 0.00 C ATOM 672 NE2 HIS A 48 5.317 -3.340 -5.363 1.00 0.00 N ATOM 0 H HIS A 48 1.100 -3.846 -7.284 1.00 0.00 H new ATOM 0 HA HIS A 48 2.379 -6.144 -6.210 1.00 0.00 H new ATOM 0 HB2 HIS A 48 1.268 -3.585 -5.178 1.00 0.00 H new ATOM 0 HB3 HIS A 48 1.560 -4.881 -4.035 1.00 0.00 H new ATOM 0 HD2 HIS A 48 3.720 -2.899 -6.726 1.00 0.00 H new ATOM 0 HE1 HIS A 48 6.258 -4.214 -3.600 1.00 0.00 H new ATOM 0 HE2 HIS A 48 6.099 -2.852 -5.800 1.00 0.00 H new ATOM 680 N MET A 49 -0.852 -5.842 -5.648 1.00 0.00 N ATOM 681 CA MET A 49 -2.043 -6.585 -5.276 1.00 0.00 C ATOM 682 C MET A 49 -2.106 -7.926 -6.011 1.00 0.00 C ATOM 683 O MET A 49 -2.756 -8.862 -5.549 1.00 0.00 O ATOM 684 CB MET A 49 -3.286 -5.760 -5.613 1.00 0.00 C ATOM 685 CG MET A 49 -3.575 -5.791 -7.115 1.00 0.00 C ATOM 686 SD MET A 49 -5.131 -4.986 -7.455 1.00 0.00 S ATOM 687 CE MET A 49 -5.968 -6.291 -8.341 1.00 0.00 C ATOM 0 H MET A 49 -1.015 -4.862 -5.879 1.00 0.00 H new ATOM 0 HA MET A 49 -2.005 -6.781 -4.204 1.00 0.00 H new ATOM 0 HB2 MET A 49 -4.145 -6.150 -5.066 1.00 0.00 H new ATOM 0 HB3 MET A 49 -3.142 -4.730 -5.288 1.00 0.00 H new ATOM 0 HG2 MET A 49 -2.772 -5.293 -7.658 1.00 0.00 H new ATOM 0 HG3 MET A 49 -3.605 -6.822 -7.466 1.00 0.00 H new ATOM 0 HE1 MET A 49 -6.963 -5.954 -8.630 1.00 0.00 H new ATOM 0 HE2 MET A 49 -5.398 -6.548 -9.234 1.00 0.00 H new ATOM 0 HE3 MET A 49 -6.054 -7.169 -7.700 1.00 0.00 H new ATOM 697 N ASP A 50 -1.420 -7.975 -7.144 1.00 0.00 N ATOM 698 CA ASP A 50 -1.390 -9.185 -7.948 1.00 0.00 C ATOM 699 C ASP A 50 -0.998 -10.371 -7.063 1.00 0.00 C ATOM 700 O ASP A 50 -1.587 -11.446 -7.163 1.00 0.00 O ATOM 701 CB ASP A 50 -0.358 -9.074 -9.072 1.00 0.00 C ATOM 702 CG ASP A 50 -0.346 -10.244 -10.058 1.00 0.00 C ATOM 703 OD1 ASP A 50 -0.685 -11.363 -9.614 1.00 0.00 O ATOM 704 OD2 ASP A 50 0.001 -9.994 -11.232 1.00 0.00 O ATOM 0 H ASP A 50 -0.881 -7.197 -7.524 1.00 0.00 H new ATOM 0 HA ASP A 50 -2.381 -9.327 -8.380 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -0.544 -8.154 -9.626 1.00 0.00 H new ATOM 0 HB3 ASP A 50 0.633 -8.983 -8.627 1.00 0.00 H new ATOM 709 N ASP A 51 -0.007 -10.134 -6.216 1.00 0.00 N ATOM 710 CA ASP A 51 0.469 -11.169 -5.314 1.00 0.00 C ATOM 711 C ASP A 51 -0.100 -10.921 -3.915 1.00 0.00 C ATOM 712 O ASP A 51 -0.466 -9.796 -3.580 1.00 0.00 O ATOM 713 CB ASP A 51 1.996 -11.151 -5.213 1.00 0.00 C ATOM 714 CG ASP A 51 2.654 -9.823 -5.595 1.00 0.00 C ATOM 715 OD1 ASP A 51 2.629 -8.911 -4.740 1.00 0.00 O ATOM 716 OD2 ASP A 51 3.167 -9.751 -6.733 1.00 0.00 O ATOM 0 H ASP A 51 0.479 -9.241 -6.135 1.00 0.00 H new ATOM 0 HA ASP A 51 0.144 -12.133 -5.705 1.00 0.00 H new ATOM 0 HB2 ASP A 51 2.280 -11.399 -4.190 1.00 0.00 H new ATOM 0 HB3 ASP A 51 2.397 -11.936 -5.855 1.00 0.00 H new ATOM 721 N PRO A 52 -0.157 -12.020 -3.116 1.00 0.00 N ATOM 722 CA PRO A 52 -0.675 -11.934 -1.761 1.00 0.00 C ATOM 723 C PRO A 52 0.337 -11.266 -0.829 1.00 0.00 C ATOM 724 O PRO A 52 0.069 -11.088 0.359 1.00 0.00 O ATOM 725 CB PRO A 52 -0.989 -13.368 -1.368 1.00 0.00 C ATOM 726 CG PRO A 52 -0.207 -14.245 -2.332 1.00 0.00 C ATOM 727 CD PRO A 52 0.268 -13.369 -3.480 1.00 0.00 C ATOM 0 HA PRO A 52 -1.567 -11.312 -1.690 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -0.696 -13.563 -0.337 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -2.058 -13.567 -1.439 1.00 0.00 H new ATOM 0 HG2 PRO A 52 0.642 -14.705 -1.826 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -0.833 -15.056 -2.704 1.00 0.00 H new ATOM 0 HD2 PRO A 52 1.350 -13.425 -3.599 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -0.174 -13.682 -4.426 1.00 0.00 H new ATOM 735 N ASP A 53 1.479 -10.914 -1.401 1.00 0.00 N ATOM 736 CA ASP A 53 2.533 -10.270 -0.636 1.00 0.00 C ATOM 737 C ASP A 53 2.403 -8.752 -0.776 1.00 0.00 C ATOM 738 O ASP A 53 3.393 -8.029 -0.680 1.00 0.00 O ATOM 739 CB ASP A 53 3.915 -10.675 -1.152 1.00 0.00 C ATOM 740 CG ASP A 53 4.142 -12.183 -1.275 1.00 0.00 C ATOM 741 OD1 ASP A 53 3.359 -12.928 -0.647 1.00 0.00 O ATOM 742 OD2 ASP A 53 5.094 -12.557 -1.993 1.00 0.00 O ATOM 0 H ASP A 53 1.698 -11.063 -2.386 1.00 0.00 H new ATOM 0 HA ASP A 53 2.432 -10.579 0.404 1.00 0.00 H new ATOM 0 HB2 ASP A 53 4.070 -10.218 -2.130 1.00 0.00 H new ATOM 0 HB3 ASP A 53 4.671 -10.262 -0.484 1.00 0.00 H new ATOM 747 N PHE A 54 1.173 -8.313 -0.999 1.00 0.00 N ATOM 748 CA PHE A 54 0.900 -6.894 -1.153 1.00 0.00 C ATOM 749 C PHE A 54 0.448 -6.276 0.172 1.00 0.00 C ATOM 750 O PHE A 54 0.995 -5.264 0.608 1.00 0.00 O ATOM 751 CB PHE A 54 -0.230 -6.764 -2.175 1.00 0.00 C ATOM 752 CG PHE A 54 -1.009 -5.450 -2.078 1.00 0.00 C ATOM 753 CD1 PHE A 54 -0.355 -4.263 -2.181 1.00 0.00 C ATOM 754 CD2 PHE A 54 -2.356 -5.471 -1.887 1.00 0.00 C ATOM 755 CE1 PHE A 54 -1.078 -3.044 -2.090 1.00 0.00 C ATOM 756 CE2 PHE A 54 -3.078 -4.252 -1.797 1.00 0.00 C ATOM 757 CZ PHE A 54 -2.424 -3.064 -1.900 1.00 0.00 C ATOM 0 H PHE A 54 0.354 -8.915 -1.077 1.00 0.00 H new ATOM 0 HA PHE A 54 1.802 -6.374 -1.476 1.00 0.00 H new ATOM 0 HB2 PHE A 54 0.189 -6.853 -3.177 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -0.922 -7.596 -2.044 1.00 0.00 H new ATOM 0 HD1 PHE A 54 0.714 -4.247 -2.332 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -2.875 -6.414 -1.804 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -0.558 -2.101 -2.172 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -4.147 -4.268 -1.647 1.00 0.00 H new ATOM 0 HZ PHE A 54 -2.974 -2.137 -1.831 1.00 0.00 H new ATOM 767 N ALA A 55 -0.546 -6.911 0.775 1.00 0.00 N ATOM 768 CA ALA A 55 -1.078 -6.436 2.041 1.00 0.00 C ATOM 769 C ALA A 55 0.039 -6.424 3.086 1.00 0.00 C ATOM 770 O ALA A 55 0.010 -5.625 4.021 1.00 0.00 O ATOM 771 CB ALA A 55 -2.259 -7.315 2.460 1.00 0.00 C ATOM 0 H ALA A 55 -0.997 -7.750 0.411 1.00 0.00 H new ATOM 0 HA ALA A 55 -1.449 -5.416 1.943 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -2.658 -6.959 3.410 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -3.037 -7.267 1.698 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -1.924 -8.346 2.571 1.00 0.00 H new ATOM 777 N ASN A 56 0.997 -7.319 2.893 1.00 0.00 N ATOM 778 CA ASN A 56 2.121 -7.421 3.807 1.00 0.00 C ATOM 779 C ASN A 56 2.573 -6.016 4.212 1.00 0.00 C ATOM 780 O ASN A 56 2.314 -5.048 3.500 1.00 0.00 O ATOM 781 CB ASN A 56 3.307 -8.126 3.146 1.00 0.00 C ATOM 782 CG ASN A 56 3.727 -7.406 1.863 1.00 0.00 C ATOM 783 OD1 ASN A 56 2.988 -6.622 1.290 1.00 0.00 O ATOM 784 ND2 ASN A 56 4.952 -7.714 1.446 1.00 0.00 N ATOM 0 H ASN A 56 1.017 -7.980 2.117 1.00 0.00 H new ATOM 0 HA ASN A 56 1.798 -7.996 4.675 1.00 0.00 H new ATOM 0 HB2 ASN A 56 4.147 -8.160 3.840 1.00 0.00 H new ATOM 0 HB3 ASN A 56 3.040 -9.158 2.918 1.00 0.00 H new ATOM 0 HD21 ASN A 56 5.325 -7.285 0.599 1.00 0.00 H new ATOM 0 HD22 ASN A 56 5.518 -8.379 1.973 1.00 0.00 H new ATOM 791 N PRO A 57 3.257 -5.949 5.385 1.00 0.00 N ATOM 792 CA PRO A 57 3.747 -4.679 5.894 1.00 0.00 C ATOM 793 C PRO A 57 4.975 -4.211 5.110 1.00 0.00 C ATOM 794 O PRO A 57 5.546 -4.973 4.331 1.00 0.00 O ATOM 795 CB PRO A 57 4.042 -4.930 7.364 1.00 0.00 C ATOM 796 CG PRO A 57 4.148 -6.439 7.515 1.00 0.00 C ATOM 797 CD PRO A 57 3.582 -7.075 6.255 1.00 0.00 C ATOM 0 HA PRO A 57 3.022 -3.873 5.779 1.00 0.00 H new ATOM 0 HB2 PRO A 57 4.968 -4.441 7.666 1.00 0.00 H new ATOM 0 HB3 PRO A 57 3.249 -4.529 7.996 1.00 0.00 H new ATOM 0 HG2 PRO A 57 5.187 -6.736 7.659 1.00 0.00 H new ATOM 0 HG3 PRO A 57 3.596 -6.774 8.393 1.00 0.00 H new ATOM 0 HD2 PRO A 57 4.308 -7.740 5.787 1.00 0.00 H new ATOM 0 HD3 PRO A 57 2.698 -7.673 6.476 1.00 0.00 H new ATOM 805 N LEU A 58 5.346 -2.961 5.343 1.00 0.00 N ATOM 806 CA LEU A 58 6.495 -2.382 4.668 1.00 0.00 C ATOM 807 C LEU A 58 7.778 -2.888 5.332 1.00 0.00 C ATOM 808 O LEU A 58 7.835 -3.030 6.553 1.00 0.00 O ATOM 809 CB LEU A 58 6.383 -0.857 4.630 1.00 0.00 C ATOM 810 CG LEU A 58 7.634 -0.103 4.175 1.00 0.00 C ATOM 811 CD1 LEU A 58 7.840 -0.243 2.665 1.00 0.00 C ATOM 812 CD2 LEU A 58 7.582 1.361 4.613 1.00 0.00 C ATOM 0 H LEU A 58 4.871 -2.332 5.990 1.00 0.00 H new ATOM 0 HA LEU A 58 6.526 -2.702 3.626 1.00 0.00 H new ATOM 0 HB2 LEU A 58 5.561 -0.590 3.967 1.00 0.00 H new ATOM 0 HB3 LEU A 58 6.115 -0.507 5.627 1.00 0.00 H new ATOM 0 HG LEU A 58 8.499 -0.553 4.661 1.00 0.00 H new ATOM 0 HD11 LEU A 58 8.736 0.302 2.368 1.00 0.00 H new ATOM 0 HD12 LEU A 58 7.955 -1.296 2.410 1.00 0.00 H new ATOM 0 HD13 LEU A 58 6.976 0.165 2.141 1.00 0.00 H new ATOM 0 HD21 LEU A 58 8.483 1.874 4.277 1.00 0.00 H new ATOM 0 HD22 LEU A 58 6.707 1.841 4.175 1.00 0.00 H new ATOM 0 HD23 LEU A 58 7.519 1.414 5.700 1.00 0.00 H new ATOM 824 N ILE A 59 8.776 -3.145 4.499 1.00 0.00 N ATOM 825 CA ILE A 59 10.054 -3.631 4.990 1.00 0.00 C ATOM 826 C ILE A 59 11.072 -2.489 4.968 1.00 0.00 C ATOM 827 O ILE A 59 11.077 -1.675 4.045 1.00 0.00 O ATOM 828 CB ILE A 59 10.497 -4.865 4.202 1.00 0.00 C ATOM 829 CG1 ILE A 59 9.513 -6.021 4.395 1.00 0.00 C ATOM 830 CG2 ILE A 59 11.928 -5.264 4.565 1.00 0.00 C ATOM 831 CD1 ILE A 59 8.731 -6.296 3.109 1.00 0.00 C ATOM 0 H ILE A 59 8.725 -3.026 3.487 1.00 0.00 H new ATOM 0 HA ILE A 59 9.964 -3.958 6.026 1.00 0.00 H new ATOM 0 HB ILE A 59 10.493 -4.612 3.142 1.00 0.00 H new ATOM 0 HG12 ILE A 59 10.055 -6.918 4.694 1.00 0.00 H new ATOM 0 HG13 ILE A 59 8.820 -5.783 5.202 1.00 0.00 H new ATOM 0 HG21 ILE A 59 12.217 -6.144 3.990 1.00 0.00 H new ATOM 0 HG22 ILE A 59 12.605 -4.441 4.334 1.00 0.00 H new ATOM 0 HG23 ILE A 59 11.983 -5.492 5.630 1.00 0.00 H new ATOM 0 HD11 ILE A 59 8.039 -7.122 3.274 1.00 0.00 H new ATOM 0 HD12 ILE A 59 8.171 -5.405 2.826 1.00 0.00 H new ATOM 0 HD13 ILE A 59 9.425 -6.558 2.310 1.00 0.00 H new ATOM 843 N LEU A 60 11.910 -2.465 5.994 1.00 0.00 N ATOM 844 CA LEU A 60 12.930 -1.436 6.103 1.00 0.00 C ATOM 845 C LEU A 60 13.877 -1.534 4.905 1.00 0.00 C ATOM 846 O LEU A 60 14.001 -2.593 4.292 1.00 0.00 O ATOM 847 CB LEU A 60 13.639 -1.527 7.456 1.00 0.00 C ATOM 848 CG LEU A 60 12.779 -1.226 8.685 1.00 0.00 C ATOM 849 CD1 LEU A 60 13.301 -1.970 9.915 1.00 0.00 C ATOM 850 CD2 LEU A 60 12.677 0.282 8.928 1.00 0.00 C ATOM 0 H LEU A 60 11.903 -3.142 6.757 1.00 0.00 H new ATOM 0 HA LEU A 60 12.477 -0.445 6.072 1.00 0.00 H new ATOM 0 HB2 LEU A 60 14.050 -2.531 7.562 1.00 0.00 H new ATOM 0 HB3 LEU A 60 14.482 -0.836 7.449 1.00 0.00 H new ATOM 0 HG LEU A 60 11.770 -1.590 8.492 1.00 0.00 H new ATOM 0 HD11 LEU A 60 12.672 -1.738 10.774 1.00 0.00 H new ATOM 0 HD12 LEU A 60 13.279 -3.044 9.728 1.00 0.00 H new ATOM 0 HD13 LEU A 60 14.325 -1.659 10.121 1.00 0.00 H new ATOM 0 HD21 LEU A 60 12.060 0.468 9.807 1.00 0.00 H new ATOM 0 HD22 LEU A 60 13.674 0.693 9.090 1.00 0.00 H new ATOM 0 HD23 LEU A 60 12.224 0.761 8.060 1.00 0.00 H new ATOM 862 N PRO A 61 14.539 -0.385 4.601 1.00 0.00 N ATOM 863 CA PRO A 61 15.471 -0.331 3.487 1.00 0.00 C ATOM 864 C PRO A 61 16.783 -1.036 3.836 1.00 0.00 C ATOM 865 O PRO A 61 17.818 -0.388 3.988 1.00 0.00 O ATOM 866 CB PRO A 61 15.650 1.150 3.196 1.00 0.00 C ATOM 867 CG PRO A 61 15.182 1.880 4.444 1.00 0.00 C ATOM 868 CD PRO A 61 14.417 0.887 5.305 1.00 0.00 C ATOM 0 HA PRO A 61 15.104 -0.855 2.604 1.00 0.00 H new ATOM 0 HB2 PRO A 61 16.692 1.382 2.976 1.00 0.00 H new ATOM 0 HB3 PRO A 61 15.066 1.450 2.326 1.00 0.00 H new ATOM 0 HG2 PRO A 61 16.033 2.284 4.992 1.00 0.00 H new ATOM 0 HG3 PRO A 61 14.545 2.724 4.177 1.00 0.00 H new ATOM 0 HD2 PRO A 61 14.838 0.826 6.308 1.00 0.00 H new ATOM 0 HD3 PRO A 61 13.373 1.180 5.415 1.00 0.00 H new ATOM 876 N GLY A 62 16.698 -2.353 3.953 1.00 0.00 N ATOM 877 CA GLY A 62 17.867 -3.152 4.281 1.00 0.00 C ATOM 878 C GLY A 62 18.303 -4.002 3.086 1.00 0.00 C ATOM 879 O GLY A 62 18.178 -5.225 3.111 1.00 0.00 O ATOM 0 H GLY A 62 15.838 -2.887 3.827 1.00 0.00 H new ATOM 0 HA2 GLY A 62 18.685 -2.499 4.585 1.00 0.00 H new ATOM 0 HA3 GLY A 62 17.644 -3.799 5.130 1.00 0.00 H new ATOM 883 N SER A 63 18.807 -3.319 2.068 1.00 0.00 N ATOM 884 CA SER A 63 19.262 -3.996 0.866 1.00 0.00 C ATOM 885 C SER A 63 19.879 -2.985 -0.102 1.00 0.00 C ATOM 886 O SER A 63 19.163 -2.225 -0.752 1.00 0.00 O ATOM 887 CB SER A 63 18.114 -4.747 0.188 1.00 0.00 C ATOM 888 OG SER A 63 16.938 -3.949 0.090 1.00 0.00 O ATOM 0 H SER A 63 18.910 -2.304 2.051 1.00 0.00 H new ATOM 0 HA SER A 63 20.019 -4.726 1.151 1.00 0.00 H new ATOM 0 HB2 SER A 63 18.424 -5.059 -0.809 1.00 0.00 H new ATOM 0 HB3 SER A 63 17.891 -5.653 0.751 1.00 0.00 H new ATOM 0 HG SER A 63 17.177 -3.052 -0.225 1.00 0.00 H new ATOM 894 N SER A 64 21.203 -3.009 -0.169 1.00 0.00 N ATOM 895 CA SER A 64 21.924 -2.104 -1.047 1.00 0.00 C ATOM 896 C SER A 64 21.178 -1.956 -2.374 1.00 0.00 C ATOM 897 O SER A 64 20.750 -2.947 -2.963 1.00 0.00 O ATOM 898 CB SER A 64 23.352 -2.596 -1.292 1.00 0.00 C ATOM 899 OG SER A 64 24.325 -1.699 -0.765 1.00 0.00 O ATOM 0 H SER A 64 21.794 -3.641 0.371 1.00 0.00 H new ATOM 0 HA SER A 64 21.982 -1.130 -0.561 1.00 0.00 H new ATOM 0 HB2 SER A 64 23.480 -3.578 -0.836 1.00 0.00 H new ATOM 0 HB3 SER A 64 23.514 -2.718 -2.363 1.00 0.00 H new ATOM 0 HG SER A 64 25.223 -2.050 -0.941 1.00 0.00 H new ATOM 905 N GLY A 65 21.044 -0.710 -2.805 1.00 0.00 N ATOM 906 CA GLY A 65 20.357 -0.420 -4.052 1.00 0.00 C ATOM 907 C GLY A 65 21.180 0.531 -4.923 1.00 0.00 C ATOM 908 O GLY A 65 22.403 0.583 -4.807 1.00 0.00 O ATOM 0 H GLY A 65 21.399 0.110 -2.313 1.00 0.00 H new ATOM 0 HA2 GLY A 65 20.173 -1.348 -4.594 1.00 0.00 H new ATOM 0 HA3 GLY A 65 19.384 0.024 -3.841 1.00 0.00 H new ATOM 912 N PRO A 66 20.457 1.278 -5.800 1.00 0.00 N ATOM 913 CA PRO A 66 21.108 2.224 -6.691 1.00 0.00 C ATOM 914 C PRO A 66 21.548 3.478 -5.932 1.00 0.00 C ATOM 915 O PRO A 66 20.926 4.532 -6.053 1.00 0.00 O ATOM 916 CB PRO A 66 20.081 2.515 -7.773 1.00 0.00 C ATOM 917 CG PRO A 66 18.739 2.088 -7.201 1.00 0.00 C ATOM 918 CD PRO A 66 19.007 1.243 -5.966 1.00 0.00 C ATOM 0 HA PRO A 66 22.026 1.829 -7.127 1.00 0.00 H new ATOM 0 HB2 PRO A 66 20.076 3.574 -8.032 1.00 0.00 H new ATOM 0 HB3 PRO A 66 20.309 1.965 -8.686 1.00 0.00 H new ATOM 0 HG2 PRO A 66 18.139 2.961 -6.944 1.00 0.00 H new ATOM 0 HG3 PRO A 66 18.174 1.518 -7.938 1.00 0.00 H new ATOM 0 HD2 PRO A 66 18.498 1.648 -5.091 1.00 0.00 H new ATOM 0 HD3 PRO A 66 18.648 0.222 -6.099 1.00 0.00 H new ATOM 926 N GLY A 67 22.619 3.322 -5.167 1.00 0.00 N ATOM 927 CA GLY A 67 23.150 4.428 -4.389 1.00 0.00 C ATOM 928 C GLY A 67 22.039 5.130 -3.605 1.00 0.00 C ATOM 929 O GLY A 67 21.013 4.526 -3.300 1.00 0.00 O ATOM 0 H GLY A 67 23.133 2.446 -5.070 1.00 0.00 H new ATOM 0 HA2 GLY A 67 23.910 4.060 -3.700 1.00 0.00 H new ATOM 0 HA3 GLY A 67 23.639 5.142 -5.052 1.00 0.00 H new ATOM 933 N SER A 68 22.283 6.397 -3.303 1.00 0.00 N ATOM 934 CA SER A 68 21.316 7.189 -2.562 1.00 0.00 C ATOM 935 C SER A 68 21.462 8.668 -2.924 1.00 0.00 C ATOM 936 O SER A 68 22.434 9.060 -3.568 1.00 0.00 O ATOM 937 CB SER A 68 21.484 6.992 -1.054 1.00 0.00 C ATOM 938 OG SER A 68 20.284 7.279 -0.341 1.00 0.00 O ATOM 0 H SER A 68 23.136 6.894 -3.558 1.00 0.00 H new ATOM 0 HA SER A 68 20.316 6.852 -2.836 1.00 0.00 H new ATOM 0 HB2 SER A 68 21.787 5.964 -0.854 1.00 0.00 H new ATOM 0 HB3 SER A 68 22.284 7.637 -0.691 1.00 0.00 H new ATOM 0 HG SER A 68 20.432 7.140 0.618 1.00 0.00 H new ATOM 944 N SER A 69 20.483 9.449 -2.494 1.00 0.00 N ATOM 945 CA SER A 69 20.490 10.877 -2.765 1.00 0.00 C ATOM 946 C SER A 69 21.216 11.619 -1.641 1.00 0.00 C ATOM 947 O SER A 69 21.101 11.250 -0.473 1.00 0.00 O ATOM 948 CB SER A 69 19.067 11.415 -2.923 1.00 0.00 C ATOM 949 OG SER A 69 18.223 11.019 -1.845 1.00 0.00 O ATOM 0 H SER A 69 19.679 9.120 -1.959 1.00 0.00 H new ATOM 0 HA SER A 69 21.019 11.044 -3.703 1.00 0.00 H new ATOM 0 HB2 SER A 69 19.095 12.503 -2.980 1.00 0.00 H new ATOM 0 HB3 SER A 69 18.647 11.057 -3.863 1.00 0.00 H new ATOM 0 HG SER A 69 17.324 11.384 -1.982 1.00 0.00 H new ATOM 955 N GLY A 70 21.948 12.651 -2.033 1.00 0.00 N ATOM 956 CA GLY A 70 22.693 13.448 -1.073 1.00 0.00 C ATOM 957 C GLY A 70 22.712 14.923 -1.482 1.00 0.00 C ATOM 958 O GLY A 70 23.658 15.381 -2.121 1.00 0.00 O ATOM 0 H GLY A 70 22.041 12.954 -3.002 1.00 0.00 H new ATOM 0 HA2 GLY A 70 22.244 13.347 -0.085 1.00 0.00 H new ATOM 0 HA3 GLY A 70 23.714 13.074 -0.999 1.00 0.00 H new ATOM 962 N PRO A 71 21.628 15.643 -1.087 1.00 0.00 N ATOM 963 CA PRO A 71 21.512 17.056 -1.406 1.00 0.00 C ATOM 964 C PRO A 71 22.436 17.895 -0.521 1.00 0.00 C ATOM 965 O PRO A 71 23.076 17.370 0.388 1.00 0.00 O ATOM 966 CB PRO A 71 20.041 17.384 -1.208 1.00 0.00 C ATOM 967 CG PRO A 71 19.477 16.267 -0.344 1.00 0.00 C ATOM 968 CD PRO A 71 20.489 15.133 -0.329 1.00 0.00 C ATOM 0 HA PRO A 71 21.824 17.285 -2.425 1.00 0.00 H new ATOM 0 HB2 PRO A 71 19.919 18.352 -0.723 1.00 0.00 H new ATOM 0 HB3 PRO A 71 19.521 17.438 -2.164 1.00 0.00 H new ATOM 0 HG2 PRO A 71 19.290 16.625 0.668 1.00 0.00 H new ATOM 0 HG3 PRO A 71 18.523 15.922 -0.742 1.00 0.00 H new ATOM 0 HD2 PRO A 71 20.776 14.872 0.690 1.00 0.00 H new ATOM 0 HD3 PRO A 71 20.081 14.232 -0.786 1.00 0.00 H new ATOM 976 N SER A 72 22.476 19.186 -0.819 1.00 0.00 N ATOM 977 CA SER A 72 23.310 20.103 -0.062 1.00 0.00 C ATOM 978 C SER A 72 22.477 20.803 1.013 1.00 0.00 C ATOM 979 O SER A 72 21.380 21.286 0.736 1.00 0.00 O ATOM 980 CB SER A 72 23.967 21.135 -0.980 1.00 0.00 C ATOM 981 OG SER A 72 25.347 20.854 -1.199 1.00 0.00 O ATOM 0 H SER A 72 21.944 19.618 -1.574 1.00 0.00 H new ATOM 0 HA SER A 72 24.101 19.528 0.419 1.00 0.00 H new ATOM 0 HB2 SER A 72 23.445 21.154 -1.937 1.00 0.00 H new ATOM 0 HB3 SER A 72 23.864 22.128 -0.541 1.00 0.00 H new ATOM 0 HG SER A 72 25.729 21.535 -1.791 1.00 0.00 H new ATOM 987 N SER A 73 23.029 20.836 2.217 1.00 0.00 N ATOM 988 CA SER A 73 22.350 21.470 3.335 1.00 0.00 C ATOM 989 C SER A 73 22.879 22.892 3.530 1.00 0.00 C ATOM 990 O SER A 73 24.024 23.185 3.191 1.00 0.00 O ATOM 991 CB SER A 73 22.527 20.657 4.619 1.00 0.00 C ATOM 992 OG SER A 73 22.174 19.288 4.437 1.00 0.00 O ATOM 0 H SER A 73 23.939 20.434 2.443 1.00 0.00 H new ATOM 0 HA SER A 73 21.285 21.514 3.108 1.00 0.00 H new ATOM 0 HB2 SER A 73 23.563 20.723 4.950 1.00 0.00 H new ATOM 0 HB3 SER A 73 21.912 21.088 5.409 1.00 0.00 H new ATOM 0 HG SER A 73 22.302 18.802 5.279 1.00 0.00 H new ATOM 998 N GLY A 74 22.018 23.739 4.076 1.00 0.00 N ATOM 999 CA GLY A 74 22.384 25.124 4.320 1.00 0.00 C ATOM 1000 C GLY A 74 23.010 25.754 3.074 1.00 0.00 C ATOM 1001 O GLY A 74 23.020 26.975 2.930 1.00 0.00 O ATOM 0 H GLY A 74 21.069 23.493 4.356 1.00 0.00 H new ATOM 0 HA2 GLY A 74 21.501 25.691 4.614 1.00 0.00 H new ATOM 0 HA3 GLY A 74 23.087 25.177 5.151 1.00 0.00 H new TER 1005 GLY A 74