USER MOD reduce.3.24.130724 H: found=0, std=0, add=530, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 530 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 53 SER OG : rot 180:sc= 0.986 USER MOD Set 1.2: A 56 THR OG1 : rot 75:sc= 0.909 USER MOD Set 2.1: A 37 SER OG : rot -169:sc= 1.07 USER MOD Set 2.2: A 40 ASN : amide:sc= 0.722 K(o=1.8,f=0.2) USER MOD Set 3.1: A 8 ASN : amide:sc= -0.065 X(o=-0.12,f=-0.12) USER MOD Set 3.2: A 71 SER OG : rot -160:sc= -0.0555 USER MOD Single : A 1 LEU N :NH3+ -129:sc= 0.039 (180deg=-0.173) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 3 GLN : amide:sc= -0.181 X(o=-0.18,f=-0.18) USER MOD Single : A 5 THR OG1 : rot 36:sc= 1.22 USER MOD Single : A 12 MET CE :methyl -172:sc= -0.201 (180deg=-0.319) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 ASN : amide:sc= -0.013 X(o=-0.013,f=-0.34) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 19 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 20 SER OG : rot 80:sc= 0.489 USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0212) USER MOD Single : A 28 LYS NZ :NH3+ -117:sc= -0.134 (180deg=-0.9) USER MOD Single : A 32 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.195) USER MOD Single : A 33 SER OG : rot 134:sc= 0.431 USER MOD Single : A 41 SER OG : rot 10:sc= 0.744 USER MOD Single : A 42 ASN : amide:sc= -0.231 K(o=-0.23,f=-2!) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 THR OG1 : rot 180:sc= 0.0288 USER MOD Single : A 64 MET CE :methyl 171:sc= 0 (180deg=-0.092) USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 4.738 -17.879 -0.209 1.00 0.00 N ATOM 2 CA LEU A 1 4.609 -17.331 -1.572 1.00 0.00 C ATOM 3 C LEU A 1 5.071 -15.872 -1.627 1.00 0.00 C ATOM 4 O LEU A 1 5.274 -15.245 -0.588 1.00 0.00 O ATOM 5 CB LEU A 1 3.165 -17.466 -2.084 1.00 0.00 C ATOM 6 CG LEU A 1 2.644 -18.912 -2.156 1.00 0.00 C ATOM 7 CD1 LEU A 1 1.170 -18.890 -2.576 1.00 0.00 C ATOM 8 CD2 LEU A 1 3.439 -19.765 -3.152 1.00 0.00 C ATOM 0 H1 LEU A 1 5.256 -18.780 -0.245 1.00 0.00 H new ATOM 0 H2 LEU A 1 5.257 -17.204 0.389 1.00 0.00 H new ATOM 0 H3 LEU A 1 3.792 -18.040 0.192 1.00 0.00 H new ATOM 0 HA LEU A 1 5.257 -17.913 -2.227 1.00 0.00 H new ATOM 0 HB2 LEU A 1 2.507 -16.889 -1.434 1.00 0.00 H new ATOM 0 HB3 LEU A 1 3.102 -17.021 -3.077 1.00 0.00 H new ATOM 0 HG LEU A 1 2.762 -19.360 -1.169 1.00 0.00 H new ATOM 0 HD11 LEU A 1 0.792 -19.911 -2.630 1.00 0.00 H new ATOM 0 HD12 LEU A 1 0.591 -18.327 -1.844 1.00 0.00 H new ATOM 0 HD13 LEU A 1 1.077 -18.417 -3.553 1.00 0.00 H new ATOM 0 HD21 LEU A 1 3.035 -20.777 -3.168 1.00 0.00 H new ATOM 0 HD22 LEU A 1 3.363 -19.328 -4.148 1.00 0.00 H new ATOM 0 HD23 LEU A 1 4.486 -19.797 -2.849 1.00 0.00 H new ATOM 22 N THR A 2 5.244 -15.338 -2.842 1.00 0.00 N ATOM 23 CA THR A 2 5.615 -13.949 -3.083 1.00 0.00 C ATOM 24 C THR A 2 4.839 -13.411 -4.286 1.00 0.00 C ATOM 25 O THR A 2 4.774 -14.068 -5.323 1.00 0.00 O ATOM 26 CB THR A 2 7.131 -13.823 -3.308 1.00 0.00 C ATOM 27 OG1 THR A 2 7.561 -14.715 -4.316 1.00 0.00 O ATOM 28 CG2 THR A 2 7.919 -14.096 -2.024 1.00 0.00 C ATOM 0 H THR A 2 5.126 -15.876 -3.700 1.00 0.00 H new ATOM 0 HA THR A 2 5.359 -13.355 -2.205 1.00 0.00 H new ATOM 0 HB THR A 2 7.323 -12.797 -3.621 1.00 0.00 H new ATOM 0 HG1 THR A 2 8.528 -14.620 -4.447 1.00 0.00 H new ATOM 0 HG21 THR A 2 8.986 -13.997 -2.224 1.00 0.00 H new ATOM 0 HG22 THR A 2 7.626 -13.379 -1.258 1.00 0.00 H new ATOM 0 HG23 THR A 2 7.707 -15.107 -1.675 1.00 0.00 H new ATOM 36 N GLN A 3 4.261 -12.212 -4.142 1.00 0.00 N ATOM 37 CA GLN A 3 3.590 -11.468 -5.200 1.00 0.00 C ATOM 38 C GLN A 3 3.832 -9.973 -4.990 1.00 0.00 C ATOM 39 O GLN A 3 4.271 -9.551 -3.920 1.00 0.00 O ATOM 40 CB GLN A 3 2.081 -11.761 -5.196 1.00 0.00 C ATOM 41 CG GLN A 3 1.708 -13.107 -5.834 1.00 0.00 C ATOM 42 CD GLN A 3 2.070 -13.174 -7.317 1.00 0.00 C ATOM 43 OE1 GLN A 3 2.849 -14.027 -7.733 1.00 0.00 O ATOM 44 NE2 GLN A 3 1.503 -12.274 -8.123 1.00 0.00 N ATOM 0 H GLN A 3 4.251 -11.720 -3.249 1.00 0.00 H new ATOM 0 HA GLN A 3 3.994 -11.776 -6.164 1.00 0.00 H new ATOM 0 HB2 GLN A 3 1.720 -11.745 -4.168 1.00 0.00 H new ATOM 0 HB3 GLN A 3 1.564 -10.962 -5.728 1.00 0.00 H new ATOM 0 HG2 GLN A 3 2.218 -13.911 -5.303 1.00 0.00 H new ATOM 0 HG3 GLN A 3 0.638 -13.276 -5.717 1.00 0.00 H new ATOM 0 HE21 GLN A 3 0.860 -11.580 -7.741 1.00 0.00 H new ATOM 0 HE22 GLN A 3 1.712 -12.280 -9.121 1.00 0.00 H new ATOM 53 N GLU A 4 3.537 -9.182 -6.027 1.00 0.00 N ATOM 54 CA GLU A 4 3.665 -7.733 -6.029 1.00 0.00 C ATOM 55 C GLU A 4 2.356 -7.118 -6.522 1.00 0.00 C ATOM 56 O GLU A 4 1.638 -7.742 -7.304 1.00 0.00 O ATOM 57 CB GLU A 4 4.837 -7.307 -6.921 1.00 0.00 C ATOM 58 CG GLU A 4 6.155 -7.969 -6.497 1.00 0.00 C ATOM 59 CD GLU A 4 7.341 -7.405 -7.276 1.00 0.00 C ATOM 60 OE1 GLU A 4 7.595 -6.190 -7.130 1.00 0.00 O ATOM 61 OE2 GLU A 4 7.973 -8.199 -8.007 1.00 0.00 O ATOM 0 H GLU A 4 3.192 -9.551 -6.913 1.00 0.00 H new ATOM 0 HA GLU A 4 3.867 -7.379 -5.018 1.00 0.00 H new ATOM 0 HB2 GLU A 4 4.617 -7.568 -7.956 1.00 0.00 H new ATOM 0 HB3 GLU A 4 4.947 -6.223 -6.882 1.00 0.00 H new ATOM 0 HG2 GLU A 4 6.313 -7.815 -5.430 1.00 0.00 H new ATOM 0 HG3 GLU A 4 6.091 -9.045 -6.658 1.00 0.00 H new ATOM 68 N THR A 5 2.047 -5.902 -6.059 1.00 0.00 N ATOM 69 CA THR A 5 0.844 -5.173 -6.437 1.00 0.00 C ATOM 70 C THR A 5 1.112 -3.671 -6.396 1.00 0.00 C ATOM 71 O THR A 5 1.980 -3.212 -5.653 1.00 0.00 O ATOM 72 CB THR A 5 -0.334 -5.570 -5.528 1.00 0.00 C ATOM 73 OG1 THR A 5 -1.523 -4.931 -5.943 1.00 0.00 O ATOM 74 CG2 THR A 5 -0.094 -5.213 -4.055 1.00 0.00 C ATOM 0 H THR A 5 2.638 -5.394 -5.401 1.00 0.00 H new ATOM 0 HA THR A 5 0.568 -5.436 -7.458 1.00 0.00 H new ATOM 0 HB THR A 5 -0.425 -6.653 -5.615 1.00 0.00 H new ATOM 0 HG1 THR A 5 -1.535 -4.866 -6.921 1.00 0.00 H new ATOM 0 HG21 THR A 5 -0.957 -5.516 -3.462 1.00 0.00 H new ATOM 0 HG22 THR A 5 0.794 -5.732 -3.695 1.00 0.00 H new ATOM 0 HG23 THR A 5 0.051 -4.137 -3.960 1.00 0.00 H new ATOM 82 N VAL A 6 0.351 -2.919 -7.198 1.00 0.00 N ATOM 83 CA VAL A 6 0.342 -1.466 -7.217 1.00 0.00 C ATOM 84 C VAL A 6 -1.101 -1.033 -6.966 1.00 0.00 C ATOM 85 O VAL A 6 -2.009 -1.469 -7.671 1.00 0.00 O ATOM 86 CB VAL A 6 0.884 -0.936 -8.556 1.00 0.00 C ATOM 87 CG1 VAL A 6 0.949 0.598 -8.534 1.00 0.00 C ATOM 88 CG2 VAL A 6 2.291 -1.476 -8.839 1.00 0.00 C ATOM 0 H VAL A 6 -0.296 -3.327 -7.873 1.00 0.00 H new ATOM 0 HA VAL A 6 0.994 -1.053 -6.447 1.00 0.00 H new ATOM 0 HB VAL A 6 0.205 -1.274 -9.339 1.00 0.00 H new ATOM 0 HG11 VAL A 6 1.334 0.960 -9.487 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -0.050 1.002 -8.369 1.00 0.00 H new ATOM 0 HG13 VAL A 6 1.609 0.923 -7.729 1.00 0.00 H new ATOM 0 HG21 VAL A 6 2.646 -1.084 -9.792 1.00 0.00 H new ATOM 0 HG22 VAL A 6 2.967 -1.164 -8.043 1.00 0.00 H new ATOM 0 HG23 VAL A 6 2.261 -2.565 -8.884 1.00 0.00 H new ATOM 98 N ILE A 7 -1.308 -0.185 -5.953 1.00 0.00 N ATOM 99 CA ILE A 7 -2.616 0.279 -5.516 1.00 0.00 C ATOM 100 C ILE A 7 -2.625 1.802 -5.624 1.00 0.00 C ATOM 101 O ILE A 7 -1.795 2.456 -5.002 1.00 0.00 O ATOM 102 CB ILE A 7 -2.877 -0.203 -4.074 1.00 0.00 C ATOM 103 CG1 ILE A 7 -2.764 -1.740 -4.007 1.00 0.00 C ATOM 104 CG2 ILE A 7 -4.257 0.267 -3.588 1.00 0.00 C ATOM 105 CD1 ILE A 7 -3.081 -2.319 -2.626 1.00 0.00 C ATOM 0 H ILE A 7 -0.543 0.205 -5.402 1.00 0.00 H new ATOM 0 HA ILE A 7 -3.415 -0.125 -6.138 1.00 0.00 H new ATOM 0 HB ILE A 7 -2.125 0.231 -3.415 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -3.442 -2.178 -4.740 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -1.754 -2.034 -4.292 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -4.422 -0.083 -2.569 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -4.299 1.356 -3.609 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -5.030 -0.138 -4.241 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -2.981 -3.404 -2.655 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -2.387 -1.910 -1.892 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -4.101 -2.056 -2.347 1.00 0.00 H new ATOM 117 N ASN A 8 -3.552 2.369 -6.404 1.00 0.00 N ATOM 118 CA ASN A 8 -3.755 3.809 -6.491 1.00 0.00 C ATOM 119 C ASN A 8 -4.299 4.296 -5.151 1.00 0.00 C ATOM 120 O ASN A 8 -5.246 3.704 -4.638 1.00 0.00 O ATOM 121 CB ASN A 8 -4.763 4.149 -7.598 1.00 0.00 C ATOM 122 CG ASN A 8 -4.370 3.597 -8.964 1.00 0.00 C ATOM 123 OD1 ASN A 8 -5.060 2.740 -9.510 1.00 0.00 O ATOM 124 ND2 ASN A 8 -3.262 4.087 -9.525 1.00 0.00 N ATOM 0 H ASN A 8 -4.185 1.831 -6.996 1.00 0.00 H new ATOM 0 HA ASN A 8 -2.808 4.295 -6.726 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -5.741 3.755 -7.322 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -4.864 5.232 -7.667 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -2.962 3.750 -10.440 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -2.716 4.798 -9.039 1.00 0.00 H new ATOM 131 N ILE A 9 -3.707 5.359 -4.593 1.00 0.00 N ATOM 132 CA ILE A 9 -4.117 5.954 -3.328 1.00 0.00 C ATOM 133 C ILE A 9 -4.403 7.430 -3.589 1.00 0.00 C ATOM 134 O ILE A 9 -3.475 8.206 -3.813 1.00 0.00 O ATOM 135 CB ILE A 9 -3.032 5.774 -2.247 1.00 0.00 C ATOM 136 CG1 ILE A 9 -2.643 4.293 -2.101 1.00 0.00 C ATOM 137 CG2 ILE A 9 -3.556 6.332 -0.913 1.00 0.00 C ATOM 138 CD1 ILE A 9 -1.560 4.062 -1.045 1.00 0.00 C ATOM 0 H ILE A 9 -2.913 5.835 -5.022 1.00 0.00 H new ATOM 0 HA ILE A 9 -5.011 5.459 -2.949 1.00 0.00 H new ATOM 0 HB ILE A 9 -2.137 6.321 -2.543 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -3.529 3.714 -1.838 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -2.291 3.919 -3.062 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -2.795 6.209 -0.143 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -3.788 7.391 -1.028 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -4.457 5.793 -0.622 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -1.328 2.998 -0.988 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -0.661 4.615 -1.318 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -1.918 4.408 -0.075 1.00 0.00 H new ATOM 150 N ASP A 10 -5.684 7.812 -3.554 1.00 0.00 N ATOM 151 CA ASP A 10 -6.110 9.191 -3.732 1.00 0.00 C ATOM 152 C ASP A 10 -6.391 9.812 -2.362 1.00 0.00 C ATOM 153 O ASP A 10 -6.765 9.114 -1.420 1.00 0.00 O ATOM 154 CB ASP A 10 -7.335 9.220 -4.652 1.00 0.00 C ATOM 155 CG ASP A 10 -7.905 10.627 -4.820 1.00 0.00 C ATOM 156 OD1 ASP A 10 -7.137 11.500 -5.280 1.00 0.00 O ATOM 157 OD2 ASP A 10 -9.095 10.808 -4.483 1.00 0.00 O ATOM 0 H ASP A 10 -6.455 7.162 -3.400 1.00 0.00 H new ATOM 0 HA ASP A 10 -5.328 9.784 -4.205 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -7.061 8.823 -5.629 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -8.106 8.565 -4.246 1.00 0.00 H new ATOM 162 N GLY A 11 -6.194 11.131 -2.261 1.00 0.00 N ATOM 163 CA GLY A 11 -6.409 11.903 -1.047 1.00 0.00 C ATOM 164 C GLY A 11 -5.139 12.066 -0.207 1.00 0.00 C ATOM 165 O GLY A 11 -5.235 12.493 0.943 1.00 0.00 O ATOM 0 H GLY A 11 -5.873 11.699 -3.045 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -6.791 12.889 -1.313 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -7.176 11.416 -0.445 1.00 0.00 H new ATOM 169 N MET A 12 -3.957 11.751 -0.758 1.00 0.00 N ATOM 170 CA MET A 12 -2.691 12.005 -0.084 1.00 0.00 C ATOM 171 C MET A 12 -2.342 13.480 -0.262 1.00 0.00 C ATOM 172 O MET A 12 -2.154 13.946 -1.384 1.00 0.00 O ATOM 173 CB MET A 12 -1.577 11.097 -0.621 1.00 0.00 C ATOM 174 CG MET A 12 -1.849 9.631 -0.268 1.00 0.00 C ATOM 175 SD MET A 12 -0.440 8.504 -0.453 1.00 0.00 S ATOM 176 CE MET A 12 -0.179 8.590 -2.236 1.00 0.00 C ATOM 0 H MET A 12 -3.860 11.317 -1.676 1.00 0.00 H new ATOM 0 HA MET A 12 -2.789 11.776 0.977 1.00 0.00 H new ATOM 0 HB2 MET A 12 -1.503 11.207 -1.703 1.00 0.00 H new ATOM 0 HB3 MET A 12 -0.619 11.404 -0.203 1.00 0.00 H new ATOM 0 HG2 MET A 12 -2.196 9.583 0.764 1.00 0.00 H new ATOM 0 HG3 MET A 12 -2.664 9.270 -0.895 1.00 0.00 H new ATOM 0 HE1 MET A 12 0.560 7.846 -2.532 1.00 0.00 H new ATOM 0 HE2 MET A 12 -1.119 8.393 -2.751 1.00 0.00 H new ATOM 0 HE3 MET A 12 0.180 9.584 -2.504 1.00 0.00 H new ATOM 186 N THR A 13 -2.273 14.207 0.856 1.00 0.00 N ATOM 187 CA THR A 13 -2.111 15.651 0.880 1.00 0.00 C ATOM 188 C THR A 13 -0.634 16.023 0.759 1.00 0.00 C ATOM 189 O THR A 13 -0.298 16.952 0.027 1.00 0.00 O ATOM 190 CB THR A 13 -2.715 16.195 2.185 1.00 0.00 C ATOM 191 OG1 THR A 13 -4.048 15.742 2.308 1.00 0.00 O ATOM 192 CG2 THR A 13 -2.708 17.727 2.221 1.00 0.00 C ATOM 0 H THR A 13 -2.330 13.793 1.786 1.00 0.00 H new ATOM 0 HA THR A 13 -2.631 16.097 0.032 1.00 0.00 H new ATOM 0 HB THR A 13 -2.104 15.831 3.011 1.00 0.00 H new ATOM 0 HG1 THR A 13 -4.435 16.086 3.140 1.00 0.00 H new ATOM 0 HG21 THR A 13 -3.143 18.071 3.159 1.00 0.00 H new ATOM 0 HG22 THR A 13 -1.683 18.088 2.143 1.00 0.00 H new ATOM 0 HG23 THR A 13 -3.293 18.113 1.387 1.00 0.00 H new ATOM 200 N CYS A 14 0.244 15.310 1.476 1.00 0.00 N ATOM 201 CA CYS A 14 1.669 15.627 1.516 1.00 0.00 C ATOM 202 C CYS A 14 2.481 14.390 1.916 1.00 0.00 C ATOM 203 O CYS A 14 1.924 13.315 2.138 1.00 0.00 O ATOM 204 CB CYS A 14 1.914 16.808 2.474 1.00 0.00 C ATOM 205 SG CYS A 14 1.726 16.348 4.210 1.00 0.00 S ATOM 0 H CYS A 14 -0.016 14.502 2.041 1.00 0.00 H new ATOM 0 HA CYS A 14 2.002 15.926 0.522 1.00 0.00 H new ATOM 0 HB2 CYS A 14 2.919 17.199 2.313 1.00 0.00 H new ATOM 0 HB3 CYS A 14 1.217 17.612 2.238 1.00 0.00 H new ATOM 210 N ASN A 15 3.806 14.558 2.010 1.00 0.00 N ATOM 211 CA ASN A 15 4.769 13.508 2.331 1.00 0.00 C ATOM 212 C ASN A 15 4.495 12.819 3.674 1.00 0.00 C ATOM 213 O ASN A 15 4.885 11.668 3.855 1.00 0.00 O ATOM 214 CB ASN A 15 6.187 14.089 2.301 1.00 0.00 C ATOM 215 CG ASN A 15 6.388 15.157 3.375 1.00 0.00 C ATOM 216 OD1 ASN A 15 6.063 16.322 3.159 1.00 0.00 O ATOM 217 ND2 ASN A 15 6.919 14.765 4.535 1.00 0.00 N ATOM 0 H ASN A 15 4.249 15.464 1.858 1.00 0.00 H new ATOM 0 HA ASN A 15 4.665 12.733 1.571 1.00 0.00 H new ATOM 0 HB2 ASN A 15 6.911 13.287 2.446 1.00 0.00 H new ATOM 0 HB3 ASN A 15 6.382 14.520 1.319 1.00 0.00 H new ATOM 0 HD21 ASN A 15 7.068 15.443 5.282 1.00 0.00 H new ATOM 0 HD22 ASN A 15 7.175 13.788 4.674 1.00 0.00 H new ATOM 224 N SER A 16 3.836 13.506 4.614 1.00 0.00 N ATOM 225 CA SER A 16 3.433 12.929 5.889 1.00 0.00 C ATOM 226 C SER A 16 2.550 11.697 5.669 1.00 0.00 C ATOM 227 O SER A 16 2.753 10.675 6.320 1.00 0.00 O ATOM 228 CB SER A 16 2.710 13.985 6.732 1.00 0.00 C ATOM 229 OG SER A 16 2.428 13.476 8.018 1.00 0.00 O ATOM 0 H SER A 16 3.568 14.484 4.505 1.00 0.00 H new ATOM 0 HA SER A 16 4.322 12.605 6.430 1.00 0.00 H new ATOM 0 HB2 SER A 16 3.328 14.879 6.815 1.00 0.00 H new ATOM 0 HB3 SER A 16 1.784 14.282 6.240 1.00 0.00 H new ATOM 0 HG SER A 16 1.968 14.161 8.547 1.00 0.00 H new ATOM 235 N CYS A 17 1.584 11.789 4.744 1.00 0.00 N ATOM 236 CA CYS A 17 0.700 10.680 4.413 1.00 0.00 C ATOM 237 C CYS A 17 1.516 9.507 3.876 1.00 0.00 C ATOM 238 O CYS A 17 1.370 8.390 4.363 1.00 0.00 O ATOM 239 CB CYS A 17 -0.352 11.105 3.386 1.00 0.00 C ATOM 240 SG CYS A 17 -1.399 12.499 3.868 1.00 0.00 S ATOM 0 H CYS A 17 1.400 12.637 4.209 1.00 0.00 H new ATOM 0 HA CYS A 17 0.182 10.371 5.321 1.00 0.00 H new ATOM 0 HB2 CYS A 17 0.157 11.361 2.456 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -0.993 10.249 3.174 1.00 0.00 H new ATOM 245 N VAL A 18 2.378 9.773 2.885 1.00 0.00 N ATOM 246 CA VAL A 18 3.263 8.786 2.278 1.00 0.00 C ATOM 247 C VAL A 18 4.033 8.028 3.362 1.00 0.00 C ATOM 248 O VAL A 18 4.011 6.799 3.391 1.00 0.00 O ATOM 249 CB VAL A 18 4.215 9.482 1.286 1.00 0.00 C ATOM 250 CG1 VAL A 18 5.242 8.516 0.688 1.00 0.00 C ATOM 251 CG2 VAL A 18 3.431 10.117 0.132 1.00 0.00 C ATOM 0 H VAL A 18 2.477 10.703 2.478 1.00 0.00 H new ATOM 0 HA VAL A 18 2.671 8.057 1.724 1.00 0.00 H new ATOM 0 HB VAL A 18 4.740 10.247 1.858 1.00 0.00 H new ATOM 0 HG11 VAL A 18 5.889 9.055 -0.004 1.00 0.00 H new ATOM 0 HG12 VAL A 18 5.845 8.085 1.487 1.00 0.00 H new ATOM 0 HG13 VAL A 18 4.724 7.719 0.155 1.00 0.00 H new ATOM 0 HG21 VAL A 18 4.124 10.602 -0.555 1.00 0.00 H new ATOM 0 HG22 VAL A 18 2.875 9.344 -0.399 1.00 0.00 H new ATOM 0 HG23 VAL A 18 2.735 10.857 0.528 1.00 0.00 H new ATOM 261 N GLN A 19 4.701 8.772 4.252 1.00 0.00 N ATOM 262 CA GLN A 19 5.495 8.235 5.345 1.00 0.00 C ATOM 263 C GLN A 19 4.653 7.326 6.245 1.00 0.00 C ATOM 264 O GLN A 19 5.051 6.194 6.511 1.00 0.00 O ATOM 265 CB GLN A 19 6.117 9.399 6.127 1.00 0.00 C ATOM 266 CG GLN A 19 7.062 8.914 7.232 1.00 0.00 C ATOM 267 CD GLN A 19 7.703 10.089 7.965 1.00 0.00 C ATOM 268 OE1 GLN A 19 7.367 10.369 9.113 1.00 0.00 O ATOM 269 NE2 GLN A 19 8.631 10.784 7.303 1.00 0.00 N ATOM 0 H GLN A 19 4.699 9.792 4.224 1.00 0.00 H new ATOM 0 HA GLN A 19 6.296 7.615 4.944 1.00 0.00 H new ATOM 0 HB2 GLN A 19 6.665 10.044 5.440 1.00 0.00 H new ATOM 0 HB3 GLN A 19 5.324 10.003 6.568 1.00 0.00 H new ATOM 0 HG2 GLN A 19 6.510 8.297 7.941 1.00 0.00 H new ATOM 0 HG3 GLN A 19 7.839 8.284 6.799 1.00 0.00 H new ATOM 0 HE21 GLN A 19 8.883 10.520 6.350 1.00 0.00 H new ATOM 0 HE22 GLN A 19 9.088 11.579 7.750 1.00 0.00 H new ATOM 278 N SER A 20 3.497 7.818 6.709 1.00 0.00 N ATOM 279 CA SER A 20 2.607 7.082 7.597 1.00 0.00 C ATOM 280 C SER A 20 2.146 5.769 6.962 1.00 0.00 C ATOM 281 O SER A 20 2.311 4.709 7.562 1.00 0.00 O ATOM 282 CB SER A 20 1.410 7.960 7.976 1.00 0.00 C ATOM 283 OG SER A 20 1.857 9.106 8.670 1.00 0.00 O ATOM 0 H SER A 20 3.156 8.749 6.472 1.00 0.00 H new ATOM 0 HA SER A 20 3.157 6.826 8.503 1.00 0.00 H new ATOM 0 HB2 SER A 20 0.866 8.256 7.079 1.00 0.00 H new ATOM 0 HB3 SER A 20 0.716 7.395 8.598 1.00 0.00 H new ATOM 0 HG SER A 20 2.189 9.768 8.028 1.00 0.00 H new ATOM 289 N ILE A 21 1.573 5.843 5.754 1.00 0.00 N ATOM 290 CA ILE A 21 1.073 4.695 5.006 1.00 0.00 C ATOM 291 C ILE A 21 2.185 3.653 4.869 1.00 0.00 C ATOM 292 O ILE A 21 2.005 2.506 5.271 1.00 0.00 O ATOM 293 CB ILE A 21 0.542 5.155 3.633 1.00 0.00 C ATOM 294 CG1 ILE A 21 -0.692 6.066 3.790 1.00 0.00 C ATOM 295 CG2 ILE A 21 0.159 3.954 2.754 1.00 0.00 C ATOM 296 CD1 ILE A 21 -0.937 6.882 2.517 1.00 0.00 C ATOM 0 H ILE A 21 1.444 6.727 5.262 1.00 0.00 H new ATOM 0 HA ILE A 21 0.243 4.232 5.540 1.00 0.00 H new ATOM 0 HB ILE A 21 1.347 5.713 3.154 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -1.570 5.460 4.012 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -0.547 6.739 4.635 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -0.212 4.310 1.793 1.00 0.00 H new ATOM 0 HG22 ILE A 21 1.035 3.326 2.595 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -0.619 3.373 3.250 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -1.813 7.516 2.654 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -0.067 7.505 2.311 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -1.106 6.206 1.679 1.00 0.00 H new ATOM 308 N GLU A 22 3.328 4.065 4.307 1.00 0.00 N ATOM 309 CA GLU A 22 4.471 3.203 4.057 1.00 0.00 C ATOM 310 C GLU A 22 4.921 2.505 5.343 1.00 0.00 C ATOM 311 O GLU A 22 5.028 1.281 5.373 1.00 0.00 O ATOM 312 CB GLU A 22 5.595 4.038 3.427 1.00 0.00 C ATOM 313 CG GLU A 22 6.740 3.169 2.898 1.00 0.00 C ATOM 314 CD GLU A 22 7.767 4.014 2.150 1.00 0.00 C ATOM 315 OE1 GLU A 22 7.407 4.513 1.061 1.00 0.00 O ATOM 316 OE2 GLU A 22 8.892 4.149 2.679 1.00 0.00 O ATOM 0 H GLU A 22 3.479 5.029 4.010 1.00 0.00 H new ATOM 0 HA GLU A 22 4.193 2.413 3.359 1.00 0.00 H new ATOM 0 HB2 GLU A 22 5.187 4.634 2.610 1.00 0.00 H new ATOM 0 HB3 GLU A 22 5.984 4.736 4.168 1.00 0.00 H new ATOM 0 HG2 GLU A 22 7.223 2.653 3.728 1.00 0.00 H new ATOM 0 HG3 GLU A 22 6.342 2.402 2.234 1.00 0.00 H new ATOM 323 N GLY A 23 5.171 3.288 6.399 1.00 0.00 N ATOM 324 CA GLY A 23 5.652 2.807 7.685 1.00 0.00 C ATOM 325 C GLY A 23 4.719 1.765 8.300 1.00 0.00 C ATOM 326 O GLY A 23 5.164 0.674 8.649 1.00 0.00 O ATOM 0 H GLY A 23 5.039 4.299 6.375 1.00 0.00 H new ATOM 0 HA2 GLY A 23 6.645 2.374 7.560 1.00 0.00 H new ATOM 0 HA3 GLY A 23 5.755 3.649 8.370 1.00 0.00 H new ATOM 330 N VAL A 24 3.431 2.100 8.435 1.00 0.00 N ATOM 331 CA VAL A 24 2.431 1.223 9.031 1.00 0.00 C ATOM 332 C VAL A 24 2.334 -0.087 8.245 1.00 0.00 C ATOM 333 O VAL A 24 2.443 -1.166 8.826 1.00 0.00 O ATOM 334 CB VAL A 24 1.077 1.955 9.113 1.00 0.00 C ATOM 335 CG1 VAL A 24 -0.068 1.009 9.501 1.00 0.00 C ATOM 336 CG2 VAL A 24 1.146 3.078 10.158 1.00 0.00 C ATOM 0 H VAL A 24 3.055 2.998 8.129 1.00 0.00 H new ATOM 0 HA VAL A 24 2.730 0.965 10.047 1.00 0.00 H new ATOM 0 HB VAL A 24 0.877 2.360 8.121 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -1.002 1.568 9.547 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -0.155 0.218 8.756 1.00 0.00 H new ATOM 0 HG13 VAL A 24 0.139 0.568 10.476 1.00 0.00 H new ATOM 0 HG21 VAL A 24 0.184 3.588 10.208 1.00 0.00 H new ATOM 0 HG22 VAL A 24 1.382 2.653 11.134 1.00 0.00 H new ATOM 0 HG23 VAL A 24 1.921 3.791 9.876 1.00 0.00 H new ATOM 346 N ILE A 25 2.126 0.007 6.927 1.00 0.00 N ATOM 347 CA ILE A 25 1.893 -1.150 6.074 1.00 0.00 C ATOM 348 C ILE A 25 3.115 -2.075 6.047 1.00 0.00 C ATOM 349 O ILE A 25 2.946 -3.292 6.088 1.00 0.00 O ATOM 350 CB ILE A 25 1.418 -0.689 4.685 1.00 0.00 C ATOM 351 CG1 ILE A 25 0.020 -0.060 4.843 1.00 0.00 C ATOM 352 CG2 ILE A 25 1.364 -1.849 3.683 1.00 0.00 C ATOM 353 CD1 ILE A 25 -0.539 0.491 3.533 1.00 0.00 C ATOM 0 H ILE A 25 2.116 0.895 6.425 1.00 0.00 H new ATOM 0 HA ILE A 25 1.089 -1.758 6.489 1.00 0.00 H new ATOM 0 HB ILE A 25 2.128 0.037 4.290 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -0.667 -0.809 5.238 1.00 0.00 H new ATOM 0 HG13 ILE A 25 0.071 0.744 5.577 1.00 0.00 H new ATOM 0 HG21 ILE A 25 1.024 -1.479 2.716 1.00 0.00 H new ATOM 0 HG22 ILE A 25 2.358 -2.284 3.576 1.00 0.00 H new ATOM 0 HG23 ILE A 25 0.672 -2.610 4.044 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -1.525 0.920 3.710 1.00 0.00 H new ATOM 0 HD12 ILE A 25 0.129 1.262 3.148 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -0.620 -0.315 2.804 1.00 0.00 H new ATOM 365 N SER A 26 4.331 -1.510 6.005 1.00 0.00 N ATOM 366 CA SER A 26 5.584 -2.262 6.056 1.00 0.00 C ATOM 367 C SER A 26 5.615 -3.267 7.216 1.00 0.00 C ATOM 368 O SER A 26 6.192 -4.344 7.079 1.00 0.00 O ATOM 369 CB SER A 26 6.767 -1.291 6.167 1.00 0.00 C ATOM 370 OG SER A 26 7.990 -1.991 6.091 1.00 0.00 O ATOM 0 H SER A 26 4.468 -0.502 5.934 1.00 0.00 H new ATOM 0 HA SER A 26 5.661 -2.836 5.132 1.00 0.00 H new ATOM 0 HB2 SER A 26 6.714 -0.551 5.368 1.00 0.00 H new ATOM 0 HB3 SER A 26 6.711 -0.746 7.110 1.00 0.00 H new ATOM 0 HG SER A 26 8.734 -1.358 6.162 1.00 0.00 H new ATOM 376 N LYS A 27 4.997 -2.916 8.351 1.00 0.00 N ATOM 377 CA LYS A 27 5.077 -3.684 9.585 1.00 0.00 C ATOM 378 C LYS A 27 3.983 -4.754 9.680 1.00 0.00 C ATOM 379 O LYS A 27 4.050 -5.593 10.578 1.00 0.00 O ATOM 380 CB LYS A 27 4.993 -2.721 10.778 1.00 0.00 C ATOM 381 CG LYS A 27 6.189 -1.762 10.811 1.00 0.00 C ATOM 382 CD LYS A 27 5.976 -0.683 11.879 1.00 0.00 C ATOM 383 CE LYS A 27 7.074 0.385 11.827 1.00 0.00 C ATOM 384 NZ LYS A 27 8.402 -0.173 12.132 1.00 0.00 N ATOM 0 H LYS A 27 4.421 -2.078 8.432 1.00 0.00 H new ATOM 0 HA LYS A 27 6.030 -4.213 9.595 1.00 0.00 H new ATOM 0 HB2 LYS A 27 4.067 -2.148 10.720 1.00 0.00 H new ATOM 0 HB3 LYS A 27 4.957 -3.292 11.706 1.00 0.00 H new ATOM 0 HG2 LYS A 27 7.103 -2.317 11.022 1.00 0.00 H new ATOM 0 HG3 LYS A 27 6.317 -1.296 9.834 1.00 0.00 H new ATOM 0 HD2 LYS A 27 5.003 -0.213 11.734 1.00 0.00 H new ATOM 0 HD3 LYS A 27 5.963 -1.145 12.866 1.00 0.00 H new ATOM 0 HE2 LYS A 27 7.091 0.840 10.836 1.00 0.00 H new ATOM 0 HE3 LYS A 27 6.842 1.178 12.538 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 9.104 0.594 12.153 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 8.376 -0.644 13.059 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 8.665 -0.864 11.400 1.00 0.00 H new ATOM 398 N LYS A 28 2.985 -4.756 8.782 1.00 0.00 N ATOM 399 CA LYS A 28 1.948 -5.780 8.802 1.00 0.00 C ATOM 400 C LYS A 28 2.523 -7.116 8.311 1.00 0.00 C ATOM 401 O LYS A 28 3.260 -7.121 7.325 1.00 0.00 O ATOM 402 CB LYS A 28 0.761 -5.386 7.916 1.00 0.00 C ATOM 403 CG LYS A 28 0.071 -4.108 8.402 1.00 0.00 C ATOM 404 CD LYS A 28 -1.303 -3.893 7.749 1.00 0.00 C ATOM 405 CE LYS A 28 -1.279 -3.935 6.215 1.00 0.00 C ATOM 406 NZ LYS A 28 -1.426 -5.302 5.682 1.00 0.00 N ATOM 0 H LYS A 28 2.881 -4.062 8.041 1.00 0.00 H new ATOM 0 HA LYS A 28 1.597 -5.881 9.829 1.00 0.00 H new ATOM 0 HB2 LYS A 28 1.107 -5.243 6.892 1.00 0.00 H new ATOM 0 HB3 LYS A 28 0.038 -6.202 7.897 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -0.048 -4.153 9.484 1.00 0.00 H new ATOM 0 HG3 LYS A 28 0.709 -3.251 8.187 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -1.990 -4.657 8.112 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -1.699 -2.930 8.070 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -2.082 -3.309 5.826 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -0.341 -3.509 5.858 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -0.567 -5.565 5.158 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -1.569 -5.968 6.468 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -2.246 -5.339 5.043 1.00 0.00 H new ATOM 420 N PRO A 29 2.190 -8.248 8.962 1.00 0.00 N ATOM 421 CA PRO A 29 2.550 -9.581 8.501 1.00 0.00 C ATOM 422 C PRO A 29 2.249 -9.781 7.015 1.00 0.00 C ATOM 423 O PRO A 29 1.189 -9.380 6.533 1.00 0.00 O ATOM 424 CB PRO A 29 1.736 -10.552 9.360 1.00 0.00 C ATOM 425 CG PRO A 29 1.573 -9.786 10.670 1.00 0.00 C ATOM 426 CD PRO A 29 1.432 -8.338 10.201 1.00 0.00 C ATOM 0 HA PRO A 29 3.622 -9.747 8.604 1.00 0.00 H new ATOM 0 HB2 PRO A 29 0.773 -10.786 8.905 1.00 0.00 H new ATOM 0 HB3 PRO A 29 2.257 -11.498 9.506 1.00 0.00 H new ATOM 0 HG2 PRO A 29 0.696 -10.118 11.226 1.00 0.00 H new ATOM 0 HG3 PRO A 29 2.434 -9.917 11.325 1.00 0.00 H new ATOM 0 HD2 PRO A 29 0.386 -8.079 10.039 1.00 0.00 H new ATOM 0 HD3 PRO A 29 1.820 -7.645 10.948 1.00 0.00 H new ATOM 434 N GLY A 30 3.193 -10.393 6.295 1.00 0.00 N ATOM 435 CA GLY A 30 3.077 -10.649 4.871 1.00 0.00 C ATOM 436 C GLY A 30 3.839 -9.620 4.047 1.00 0.00 C ATOM 437 O GLY A 30 4.514 -9.997 3.092 1.00 0.00 O ATOM 0 H GLY A 30 4.069 -10.726 6.698 1.00 0.00 H new ATOM 0 HA2 GLY A 30 3.457 -11.646 4.649 1.00 0.00 H new ATOM 0 HA3 GLY A 30 2.025 -10.638 4.584 1.00 0.00 H new ATOM 441 N VAL A 31 3.734 -8.333 4.404 1.00 0.00 N ATOM 442 CA VAL A 31 4.395 -7.262 3.672 1.00 0.00 C ATOM 443 C VAL A 31 5.905 -7.351 3.890 1.00 0.00 C ATOM 444 O VAL A 31 6.357 -7.515 5.023 1.00 0.00 O ATOM 445 CB VAL A 31 3.850 -5.890 4.099 1.00 0.00 C ATOM 446 CG1 VAL A 31 4.515 -4.779 3.273 1.00 0.00 C ATOM 447 CG2 VAL A 31 2.332 -5.831 3.890 1.00 0.00 C ATOM 0 H VAL A 31 3.190 -8.013 5.205 1.00 0.00 H new ATOM 0 HA VAL A 31 4.188 -7.376 2.608 1.00 0.00 H new ATOM 0 HB VAL A 31 4.075 -5.745 5.156 1.00 0.00 H new ATOM 0 HG11 VAL A 31 4.122 -3.811 3.583 1.00 0.00 H new ATOM 0 HG12 VAL A 31 5.593 -4.802 3.434 1.00 0.00 H new ATOM 0 HG13 VAL A 31 4.302 -4.935 2.215 1.00 0.00 H new ATOM 0 HG21 VAL A 31 1.960 -4.853 4.197 1.00 0.00 H new ATOM 0 HG22 VAL A 31 2.103 -5.992 2.837 1.00 0.00 H new ATOM 0 HG23 VAL A 31 1.852 -6.606 4.488 1.00 0.00 H new ATOM 457 N LYS A 32 6.670 -7.238 2.798 1.00 0.00 N ATOM 458 CA LYS A 32 8.123 -7.217 2.815 1.00 0.00 C ATOM 459 C LYS A 32 8.581 -5.787 2.519 1.00 0.00 C ATOM 460 O LYS A 32 8.593 -4.957 3.426 1.00 0.00 O ATOM 461 CB LYS A 32 8.670 -8.269 1.838 1.00 0.00 C ATOM 462 CG LYS A 32 8.224 -9.675 2.261 1.00 0.00 C ATOM 463 CD LYS A 32 8.929 -10.750 1.428 1.00 0.00 C ATOM 464 CE LYS A 32 8.432 -12.142 1.832 1.00 0.00 C ATOM 465 NZ LYS A 32 9.192 -13.201 1.149 1.00 0.00 N ATOM 0 H LYS A 32 6.279 -7.157 1.859 1.00 0.00 H new ATOM 0 HA LYS A 32 8.523 -7.490 3.791 1.00 0.00 H new ATOM 0 HB2 LYS A 32 8.316 -8.056 0.829 1.00 0.00 H new ATOM 0 HB3 LYS A 32 9.759 -8.219 1.811 1.00 0.00 H new ATOM 0 HG2 LYS A 32 8.443 -9.827 3.318 1.00 0.00 H new ATOM 0 HG3 LYS A 32 7.144 -9.769 2.143 1.00 0.00 H new ATOM 0 HD2 LYS A 32 8.739 -10.582 0.368 1.00 0.00 H new ATOM 0 HD3 LYS A 32 10.007 -10.684 1.573 1.00 0.00 H new ATOM 0 HE2 LYS A 32 8.524 -12.264 2.911 1.00 0.00 H new ATOM 0 HE3 LYS A 32 7.374 -12.237 1.589 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 8.719 -14.116 1.294 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 9.240 -12.993 0.131 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 10.155 -13.244 1.539 1.00 0.00 H new ATOM 479 N SER A 33 8.945 -5.490 1.265 1.00 0.00 N ATOM 480 CA SER A 33 9.321 -4.152 0.832 1.00 0.00 C ATOM 481 C SER A 33 8.084 -3.396 0.341 1.00 0.00 C ATOM 482 O SER A 33 7.142 -3.998 -0.177 1.00 0.00 O ATOM 483 CB SER A 33 10.394 -4.246 -0.257 1.00 0.00 C ATOM 484 OG SER A 33 9.965 -5.106 -1.289 1.00 0.00 O ATOM 0 H SER A 33 8.985 -6.185 0.519 1.00 0.00 H new ATOM 0 HA SER A 33 9.739 -3.596 1.671 1.00 0.00 H new ATOM 0 HB2 SER A 33 10.600 -3.255 -0.661 1.00 0.00 H new ATOM 0 HB3 SER A 33 11.326 -4.616 0.171 1.00 0.00 H new ATOM 0 HG SER A 33 10.139 -4.687 -2.158 1.00 0.00 H new ATOM 490 N ILE A 34 8.091 -2.070 0.516 1.00 0.00 N ATOM 491 CA ILE A 34 7.020 -1.183 0.091 1.00 0.00 C ATOM 492 C ILE A 34 7.597 0.196 -0.240 1.00 0.00 C ATOM 493 O ILE A 34 8.519 0.659 0.430 1.00 0.00 O ATOM 494 CB ILE A 34 5.903 -1.131 1.154 1.00 0.00 C ATOM 495 CG1 ILE A 34 4.824 -0.116 0.735 1.00 0.00 C ATOM 496 CG2 ILE A 34 6.446 -0.820 2.557 1.00 0.00 C ATOM 497 CD1 ILE A 34 3.552 -0.209 1.578 1.00 0.00 C ATOM 0 H ILE A 34 8.863 -1.579 0.968 1.00 0.00 H new ATOM 0 HA ILE A 34 6.557 -1.568 -0.818 1.00 0.00 H new ATOM 0 HB ILE A 34 5.452 -2.122 1.211 1.00 0.00 H new ATOM 0 HG12 ILE A 34 5.232 0.892 0.814 1.00 0.00 H new ATOM 0 HG13 ILE A 34 4.571 -0.276 -0.313 1.00 0.00 H new ATOM 0 HG21 ILE A 34 5.621 -0.794 3.269 1.00 0.00 H new ATOM 0 HG22 ILE A 34 7.156 -1.593 2.852 1.00 0.00 H new ATOM 0 HG23 ILE A 34 6.947 0.148 2.547 1.00 0.00 H new ATOM 0 HD11 ILE A 34 2.831 0.532 1.232 1.00 0.00 H new ATOM 0 HD12 ILE A 34 3.122 -1.206 1.480 1.00 0.00 H new ATOM 0 HD13 ILE A 34 3.794 -0.020 2.624 1.00 0.00 H new ATOM 509 N ARG A 35 7.042 0.841 -1.275 1.00 0.00 N ATOM 510 CA ARG A 35 7.378 2.194 -1.687 1.00 0.00 C ATOM 511 C ARG A 35 6.084 2.921 -2.052 1.00 0.00 C ATOM 512 O ARG A 35 5.381 2.501 -2.970 1.00 0.00 O ATOM 513 CB ARG A 35 8.355 2.149 -2.869 1.00 0.00 C ATOM 514 CG ARG A 35 8.772 3.562 -3.296 1.00 0.00 C ATOM 515 CD ARG A 35 9.784 3.502 -4.442 1.00 0.00 C ATOM 516 NE ARG A 35 10.170 4.852 -4.869 1.00 0.00 N ATOM 517 CZ ARG A 35 11.025 5.123 -5.869 1.00 0.00 C ATOM 518 NH1 ARG A 35 11.603 4.134 -6.565 1.00 0.00 N ATOM 519 NH2 ARG A 35 11.302 6.398 -6.174 1.00 0.00 N ATOM 0 H ARG A 35 6.325 0.414 -1.862 1.00 0.00 H new ATOM 0 HA ARG A 35 7.870 2.734 -0.878 1.00 0.00 H new ATOM 0 HB2 ARG A 35 9.239 1.574 -2.592 1.00 0.00 H new ATOM 0 HB3 ARG A 35 7.890 1.634 -3.710 1.00 0.00 H new ATOM 0 HG2 ARG A 35 7.894 4.127 -3.608 1.00 0.00 H new ATOM 0 HG3 ARG A 35 9.206 4.091 -2.448 1.00 0.00 H new ATOM 0 HD2 ARG A 35 10.668 2.950 -4.123 1.00 0.00 H new ATOM 0 HD3 ARG A 35 9.355 2.958 -5.284 1.00 0.00 H new ATOM 0 HE ARG A 35 9.759 5.641 -4.370 1.00 0.00 H new ATOM 0 HH11 ARG A 35 11.395 3.162 -6.338 1.00 0.00 H new ATOM 0 HH12 ARG A 35 12.250 4.354 -7.322 1.00 0.00 H new ATOM 0 HH21 ARG A 35 10.865 7.155 -5.648 1.00 0.00 H new ATOM 0 HH22 ARG A 35 11.950 6.612 -6.932 1.00 0.00 H new ATOM 533 N VAL A 36 5.778 4.007 -1.331 1.00 0.00 N ATOM 534 CA VAL A 36 4.612 4.853 -1.552 1.00 0.00 C ATOM 535 C VAL A 36 5.090 6.182 -2.149 1.00 0.00 C ATOM 536 O VAL A 36 6.194 6.629 -1.841 1.00 0.00 O ATOM 537 CB VAL A 36 3.841 5.019 -0.227 1.00 0.00 C ATOM 538 CG1 VAL A 36 2.536 5.809 -0.406 1.00 0.00 C ATOM 539 CG2 VAL A 36 3.486 3.652 0.375 1.00 0.00 C ATOM 0 H VAL A 36 6.357 4.326 -0.555 1.00 0.00 H new ATOM 0 HA VAL A 36 3.915 4.404 -2.260 1.00 0.00 H new ATOM 0 HB VAL A 36 4.504 5.571 0.439 1.00 0.00 H new ATOM 0 HG11 VAL A 36 2.030 5.899 0.555 1.00 0.00 H new ATOM 0 HG12 VAL A 36 2.762 6.803 -0.791 1.00 0.00 H new ATOM 0 HG13 VAL A 36 1.888 5.286 -1.110 1.00 0.00 H new ATOM 0 HG21 VAL A 36 2.943 3.796 1.309 1.00 0.00 H new ATOM 0 HG22 VAL A 36 2.863 3.097 -0.326 1.00 0.00 H new ATOM 0 HG23 VAL A 36 4.400 3.092 0.570 1.00 0.00 H new ATOM 549 N SER A 37 4.274 6.797 -3.017 1.00 0.00 N ATOM 550 CA SER A 37 4.636 7.999 -3.760 1.00 0.00 C ATOM 551 C SER A 37 3.456 8.970 -3.828 1.00 0.00 C ATOM 552 O SER A 37 2.367 8.591 -4.254 1.00 0.00 O ATOM 553 CB SER A 37 5.083 7.600 -5.170 1.00 0.00 C ATOM 554 OG SER A 37 5.297 8.746 -5.971 1.00 0.00 O ATOM 0 H SER A 37 3.332 6.464 -3.221 1.00 0.00 H new ATOM 0 HA SER A 37 5.455 8.505 -3.248 1.00 0.00 H new ATOM 0 HB2 SER A 37 6.000 7.014 -5.114 1.00 0.00 H new ATOM 0 HB3 SER A 37 4.326 6.965 -5.630 1.00 0.00 H new ATOM 0 HG SER A 37 5.407 8.475 -6.906 1.00 0.00 H new ATOM 560 N LEU A 38 3.698 10.227 -3.432 1.00 0.00 N ATOM 561 CA LEU A 38 2.766 11.338 -3.584 1.00 0.00 C ATOM 562 C LEU A 38 2.611 11.674 -5.068 1.00 0.00 C ATOM 563 O LEU A 38 1.492 11.771 -5.567 1.00 0.00 O ATOM 564 CB LEU A 38 3.287 12.552 -2.796 1.00 0.00 C ATOM 565 CG LEU A 38 2.365 13.783 -2.838 1.00 0.00 C ATOM 566 CD1 LEU A 38 1.041 13.531 -2.105 1.00 0.00 C ATOM 567 CD2 LEU A 38 3.086 14.962 -2.176 1.00 0.00 C ATOM 0 H LEU A 38 4.573 10.500 -2.985 1.00 0.00 H new ATOM 0 HA LEU A 38 1.788 11.062 -3.189 1.00 0.00 H new ATOM 0 HB2 LEU A 38 3.434 12.259 -1.756 1.00 0.00 H new ATOM 0 HB3 LEU A 38 4.264 12.832 -3.189 1.00 0.00 H new ATOM 0 HG LEU A 38 2.135 14.000 -3.881 1.00 0.00 H new ATOM 0 HD11 LEU A 38 0.420 14.425 -2.159 1.00 0.00 H new ATOM 0 HD12 LEU A 38 0.518 12.697 -2.574 1.00 0.00 H new ATOM 0 HD13 LEU A 38 1.243 13.292 -1.061 1.00 0.00 H new ATOM 0 HD21 LEU A 38 2.443 15.841 -2.199 1.00 0.00 H new ATOM 0 HD22 LEU A 38 3.320 14.711 -1.141 1.00 0.00 H new ATOM 0 HD23 LEU A 38 4.009 15.173 -2.716 1.00 0.00 H new ATOM 579 N ALA A 39 3.745 11.846 -5.761 1.00 0.00 N ATOM 580 CA ALA A 39 3.812 12.224 -7.167 1.00 0.00 C ATOM 581 C ALA A 39 2.981 11.288 -8.045 1.00 0.00 C ATOM 582 O ALA A 39 2.222 11.753 -8.893 1.00 0.00 O ATOM 583 CB ALA A 39 5.275 12.236 -7.620 1.00 0.00 C ATOM 0 H ALA A 39 4.665 11.721 -5.340 1.00 0.00 H new ATOM 0 HA ALA A 39 3.389 13.223 -7.276 1.00 0.00 H new ATOM 0 HB1 ALA A 39 5.328 12.518 -8.671 1.00 0.00 H new ATOM 0 HB2 ALA A 39 5.835 12.955 -7.022 1.00 0.00 H new ATOM 0 HB3 ALA A 39 5.705 11.243 -7.489 1.00 0.00 H new ATOM 589 N ASN A 40 3.118 9.974 -7.831 1.00 0.00 N ATOM 590 CA ASN A 40 2.384 8.961 -8.580 1.00 0.00 C ATOM 591 C ASN A 40 1.043 8.628 -7.914 1.00 0.00 C ATOM 592 O ASN A 40 0.224 7.946 -8.527 1.00 0.00 O ATOM 593 CB ASN A 40 3.248 7.704 -8.717 1.00 0.00 C ATOM 594 CG ASN A 40 4.584 7.995 -9.394 1.00 0.00 C ATOM 595 OD1 ASN A 40 5.624 8.010 -8.739 1.00 0.00 O ATOM 596 ND2 ASN A 40 4.562 8.230 -10.708 1.00 0.00 N ATOM 0 H ASN A 40 3.747 9.587 -7.127 1.00 0.00 H new ATOM 0 HA ASN A 40 2.161 9.357 -9.571 1.00 0.00 H new ATOM 0 HB2 ASN A 40 3.428 7.279 -7.729 1.00 0.00 H new ATOM 0 HB3 ASN A 40 2.706 6.954 -9.293 1.00 0.00 H new ATOM 0 HD21 ASN A 40 5.430 8.431 -11.205 1.00 0.00 H new ATOM 0 HD22 ASN A 40 3.677 8.208 -11.215 1.00 0.00 H new ATOM 603 N SER A 41 0.814 9.105 -6.680 1.00 0.00 N ATOM 604 CA SER A 41 -0.412 8.914 -5.916 1.00 0.00 C ATOM 605 C SER A 41 -0.773 7.430 -5.828 1.00 0.00 C ATOM 606 O SER A 41 -1.873 7.027 -6.207 1.00 0.00 O ATOM 607 CB SER A 41 -1.541 9.777 -6.497 1.00 0.00 C ATOM 608 OG SER A 41 -1.217 11.146 -6.367 1.00 0.00 O ATOM 0 H SER A 41 1.509 9.654 -6.175 1.00 0.00 H new ATOM 0 HA SER A 41 -0.254 9.250 -4.891 1.00 0.00 H new ATOM 0 HB2 SER A 41 -1.696 9.529 -7.547 1.00 0.00 H new ATOM 0 HB3 SER A 41 -2.476 9.565 -5.978 1.00 0.00 H new ATOM 0 HG SER A 41 -0.285 11.236 -6.077 1.00 0.00 H new ATOM 614 N ASN A 42 0.169 6.617 -5.336 1.00 0.00 N ATOM 615 CA ASN A 42 0.017 5.171 -5.282 1.00 0.00 C ATOM 616 C ASN A 42 0.950 4.543 -4.247 1.00 0.00 C ATOM 617 O ASN A 42 1.820 5.215 -3.692 1.00 0.00 O ATOM 618 CB ASN A 42 0.211 4.558 -6.682 1.00 0.00 C ATOM 619 CG ASN A 42 1.639 4.653 -7.224 1.00 0.00 C ATOM 620 OD1 ASN A 42 2.528 5.224 -6.599 1.00 0.00 O ATOM 621 ND2 ASN A 42 1.863 4.083 -8.409 1.00 0.00 N ATOM 0 H ASN A 42 1.058 6.951 -4.965 1.00 0.00 H new ATOM 0 HA ASN A 42 -0.999 4.947 -4.957 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -0.083 3.509 -6.649 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -0.463 5.056 -7.379 1.00 0.00 H new ATOM 0 HD21 ASN A 42 2.795 4.114 -8.822 1.00 0.00 H new ATOM 0 HD22 ASN A 42 1.102 3.616 -8.902 1.00 0.00 H new ATOM 628 N GLY A 43 0.746 3.243 -4.009 1.00 0.00 N ATOM 629 CA GLY A 43 1.520 2.400 -3.119 1.00 0.00 C ATOM 630 C GLY A 43 1.896 1.115 -3.848 1.00 0.00 C ATOM 631 O GLY A 43 1.016 0.333 -4.208 1.00 0.00 O ATOM 0 H GLY A 43 -0.010 2.730 -4.463 1.00 0.00 H new ATOM 0 HA2 GLY A 43 2.419 2.924 -2.793 1.00 0.00 H new ATOM 0 HA3 GLY A 43 0.943 2.169 -2.224 1.00 0.00 H new ATOM 635 N THR A 44 3.201 0.904 -4.054 1.00 0.00 N ATOM 636 CA THR A 44 3.768 -0.281 -4.680 1.00 0.00 C ATOM 637 C THR A 44 4.262 -1.191 -3.559 1.00 0.00 C ATOM 638 O THR A 44 5.207 -0.836 -2.857 1.00 0.00 O ATOM 639 CB THR A 44 4.908 0.136 -5.621 1.00 0.00 C ATOM 640 OG1 THR A 44 4.382 0.956 -6.646 1.00 0.00 O ATOM 641 CG2 THR A 44 5.598 -1.079 -6.253 1.00 0.00 C ATOM 0 H THR A 44 3.911 1.582 -3.777 1.00 0.00 H new ATOM 0 HA THR A 44 3.031 -0.814 -5.281 1.00 0.00 H new ATOM 0 HB THR A 44 5.651 0.677 -5.035 1.00 0.00 H new ATOM 0 HG1 THR A 44 5.104 1.228 -7.250 1.00 0.00 H new ATOM 0 HG21 THR A 44 6.398 -0.741 -6.912 1.00 0.00 H new ATOM 0 HG22 THR A 44 6.016 -1.709 -5.468 1.00 0.00 H new ATOM 0 HG23 THR A 44 4.871 -1.651 -6.829 1.00 0.00 H new ATOM 649 N VAL A 45 3.605 -2.345 -3.386 1.00 0.00 N ATOM 650 CA VAL A 45 3.807 -3.247 -2.260 1.00 0.00 C ATOM 651 C VAL A 45 4.268 -4.614 -2.767 1.00 0.00 C ATOM 652 O VAL A 45 3.710 -5.130 -3.734 1.00 0.00 O ATOM 653 CB VAL A 45 2.496 -3.391 -1.461 1.00 0.00 C ATOM 654 CG1 VAL A 45 2.780 -4.063 -0.111 1.00 0.00 C ATOM 655 CG2 VAL A 45 1.804 -2.042 -1.223 1.00 0.00 C ATOM 0 H VAL A 45 2.902 -2.680 -4.045 1.00 0.00 H new ATOM 0 HA VAL A 45 4.575 -2.836 -1.605 1.00 0.00 H new ATOM 0 HB VAL A 45 1.822 -4.007 -2.057 1.00 0.00 H new ATOM 0 HG11 VAL A 45 1.850 -4.162 0.449 1.00 0.00 H new ATOM 0 HG12 VAL A 45 3.209 -5.051 -0.279 1.00 0.00 H new ATOM 0 HG13 VAL A 45 3.483 -3.454 0.458 1.00 0.00 H new ATOM 0 HG21 VAL A 45 0.886 -2.199 -0.656 1.00 0.00 H new ATOM 0 HG22 VAL A 45 2.469 -1.386 -0.662 1.00 0.00 H new ATOM 0 HG23 VAL A 45 1.564 -1.582 -2.182 1.00 0.00 H new ATOM 665 N GLU A 46 5.271 -5.196 -2.097 1.00 0.00 N ATOM 666 CA GLU A 46 5.704 -6.574 -2.283 1.00 0.00 C ATOM 667 C GLU A 46 5.296 -7.340 -1.026 1.00 0.00 C ATOM 668 O GLU A 46 5.589 -6.892 0.083 1.00 0.00 O ATOM 669 CB GLU A 46 7.216 -6.635 -2.525 1.00 0.00 C ATOM 670 CG GLU A 46 7.633 -5.694 -3.666 1.00 0.00 C ATOM 671 CD GLU A 46 9.036 -6.001 -4.184 1.00 0.00 C ATOM 672 OE1 GLU A 46 9.248 -7.158 -4.608 1.00 0.00 O ATOM 673 OE2 GLU A 46 9.875 -5.073 -4.153 1.00 0.00 O ATOM 0 H GLU A 46 5.815 -4.700 -1.391 1.00 0.00 H new ATOM 0 HA GLU A 46 5.237 -7.022 -3.160 1.00 0.00 H new ATOM 0 HB2 GLU A 46 7.745 -6.361 -1.612 1.00 0.00 H new ATOM 0 HB3 GLU A 46 7.507 -7.657 -2.768 1.00 0.00 H new ATOM 0 HG2 GLU A 46 6.919 -5.780 -4.485 1.00 0.00 H new ATOM 0 HG3 GLU A 46 7.594 -4.662 -3.316 1.00 0.00 H new ATOM 680 N TYR A 47 4.598 -8.471 -1.192 1.00 0.00 N ATOM 681 CA TYR A 47 3.948 -9.167 -0.089 1.00 0.00 C ATOM 682 C TYR A 47 3.862 -10.678 -0.323 1.00 0.00 C ATOM 683 O TYR A 47 4.180 -11.164 -1.406 1.00 0.00 O ATOM 684 CB TYR A 47 2.542 -8.578 0.094 1.00 0.00 C ATOM 685 CG TYR A 47 1.604 -8.892 -1.060 1.00 0.00 C ATOM 686 CD1 TYR A 47 1.682 -8.153 -2.255 1.00 0.00 C ATOM 687 CD2 TYR A 47 0.673 -9.943 -0.952 1.00 0.00 C ATOM 688 CE1 TYR A 47 0.919 -8.537 -3.369 1.00 0.00 C ATOM 689 CE2 TYR A 47 -0.104 -10.313 -2.063 1.00 0.00 C ATOM 690 CZ TYR A 47 0.036 -9.624 -3.279 1.00 0.00 C ATOM 691 OH TYR A 47 -0.680 -10.008 -4.375 1.00 0.00 O ATOM 0 H TYR A 47 4.472 -8.924 -2.097 1.00 0.00 H new ATOM 0 HA TYR A 47 4.547 -9.024 0.811 1.00 0.00 H new ATOM 0 HB2 TYR A 47 2.112 -8.964 1.018 1.00 0.00 H new ATOM 0 HB3 TYR A 47 2.620 -7.497 0.206 1.00 0.00 H new ATOM 0 HD1 TYR A 47 2.329 -7.290 -2.315 1.00 0.00 H new ATOM 0 HD2 TYR A 47 0.556 -10.465 -0.014 1.00 0.00 H new ATOM 0 HE1 TYR A 47 1.012 -7.994 -4.298 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -0.809 -11.127 -1.982 1.00 0.00 H new ATOM 0 HH TYR A 47 -1.243 -10.776 -4.145 1.00 0.00 H new ATOM 701 N ASP A 48 3.402 -11.403 0.707 1.00 0.00 N ATOM 702 CA ASP A 48 3.123 -12.833 0.676 1.00 0.00 C ATOM 703 C ASP A 48 1.603 -13.058 0.634 1.00 0.00 C ATOM 704 O ASP A 48 0.936 -12.770 1.628 1.00 0.00 O ATOM 705 CB ASP A 48 3.737 -13.489 1.923 1.00 0.00 C ATOM 706 CG ASP A 48 3.476 -14.994 2.037 1.00 0.00 C ATOM 707 OD1 ASP A 48 2.920 -15.580 1.082 1.00 0.00 O ATOM 708 OD2 ASP A 48 3.844 -15.541 3.099 1.00 0.00 O ATOM 0 H ASP A 48 3.209 -10.986 1.618 1.00 0.00 H new ATOM 0 HA ASP A 48 3.563 -13.284 -0.214 1.00 0.00 H new ATOM 0 HB2 ASP A 48 4.814 -13.318 1.916 1.00 0.00 H new ATOM 0 HB3 ASP A 48 3.342 -12.995 2.811 1.00 0.00 H new ATOM 713 N PRO A 49 1.053 -13.585 -0.478 1.00 0.00 N ATOM 714 CA PRO A 49 -0.337 -14.014 -0.618 1.00 0.00 C ATOM 715 C PRO A 49 -0.912 -14.769 0.583 1.00 0.00 C ATOM 716 O PRO A 49 -2.071 -14.565 0.936 1.00 0.00 O ATOM 717 CB PRO A 49 -0.365 -14.896 -1.866 1.00 0.00 C ATOM 718 CG PRO A 49 0.698 -14.246 -2.742 1.00 0.00 C ATOM 719 CD PRO A 49 1.759 -13.819 -1.729 1.00 0.00 C ATOM 0 HA PRO A 49 -0.971 -13.130 -0.691 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -0.125 -15.934 -1.637 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -1.344 -14.894 -2.345 1.00 0.00 H new ATOM 0 HG2 PRO A 49 1.099 -14.944 -3.477 1.00 0.00 H new ATOM 0 HG3 PRO A 49 0.301 -13.395 -3.295 1.00 0.00 H new ATOM 0 HD2 PRO A 49 2.517 -14.593 -1.609 1.00 0.00 H new ATOM 0 HD3 PRO A 49 2.274 -12.917 -2.061 1.00 0.00 H new ATOM 727 N LEU A 50 -0.111 -15.646 1.201 1.00 0.00 N ATOM 728 CA LEU A 50 -0.545 -16.478 2.315 1.00 0.00 C ATOM 729 C LEU A 50 -0.954 -15.641 3.532 1.00 0.00 C ATOM 730 O LEU A 50 -1.845 -16.046 4.275 1.00 0.00 O ATOM 731 CB LEU A 50 0.572 -17.457 2.708 1.00 0.00 C ATOM 732 CG LEU A 50 1.056 -18.373 1.570 1.00 0.00 C ATOM 733 CD1 LEU A 50 2.234 -19.212 2.077 1.00 0.00 C ATOM 734 CD2 LEU A 50 -0.055 -19.303 1.070 1.00 0.00 C ATOM 0 H LEU A 50 0.863 -15.794 0.935 1.00 0.00 H new ATOM 0 HA LEU A 50 -1.423 -17.034 1.985 1.00 0.00 H new ATOM 0 HB2 LEU A 50 1.422 -16.886 3.082 1.00 0.00 H new ATOM 0 HB3 LEU A 50 0.219 -18.079 3.531 1.00 0.00 H new ATOM 0 HG LEU A 50 1.360 -17.744 0.733 1.00 0.00 H new ATOM 0 HD11 LEU A 50 2.586 -19.865 1.279 1.00 0.00 H new ATOM 0 HD12 LEU A 50 3.043 -18.552 2.389 1.00 0.00 H new ATOM 0 HD13 LEU A 50 1.912 -19.816 2.925 1.00 0.00 H new ATOM 0 HD21 LEU A 50 0.330 -19.932 0.267 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -0.399 -19.933 1.890 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -0.888 -18.707 0.696 1.00 0.00 H new ATOM 746 N LEU A 51 -0.296 -14.493 3.742 1.00 0.00 N ATOM 747 CA LEU A 51 -0.429 -13.678 4.943 1.00 0.00 C ATOM 748 C LEU A 51 -1.238 -12.400 4.692 1.00 0.00 C ATOM 749 O LEU A 51 -1.919 -11.935 5.603 1.00 0.00 O ATOM 750 CB LEU A 51 0.971 -13.356 5.479 1.00 0.00 C ATOM 751 CG LEU A 51 1.750 -14.597 5.955 1.00 0.00 C ATOM 752 CD1 LEU A 51 3.190 -14.196 6.294 1.00 0.00 C ATOM 753 CD2 LEU A 51 1.112 -15.242 7.192 1.00 0.00 C ATOM 0 H LEU A 51 0.357 -14.102 3.063 1.00 0.00 H new ATOM 0 HA LEU A 51 -0.986 -14.244 5.689 1.00 0.00 H new ATOM 0 HB2 LEU A 51 1.544 -12.855 4.698 1.00 0.00 H new ATOM 0 HB3 LEU A 51 0.881 -12.654 6.308 1.00 0.00 H new ATOM 0 HG LEU A 51 1.730 -15.326 5.145 1.00 0.00 H new ATOM 0 HD11 LEU A 51 3.742 -15.073 6.631 1.00 0.00 H new ATOM 0 HD12 LEU A 51 3.671 -13.783 5.407 1.00 0.00 H new ATOM 0 HD13 LEU A 51 3.182 -13.446 7.085 1.00 0.00 H new ATOM 0 HD21 LEU A 51 1.696 -16.113 7.490 1.00 0.00 H new ATOM 0 HD22 LEU A 51 1.092 -14.521 8.009 1.00 0.00 H new ATOM 0 HD23 LEU A 51 0.094 -15.551 6.957 1.00 0.00 H new ATOM 765 N THR A 52 -1.177 -11.830 3.481 1.00 0.00 N ATOM 766 CA THR A 52 -1.943 -10.641 3.112 1.00 0.00 C ATOM 767 C THR A 52 -2.254 -10.664 1.613 1.00 0.00 C ATOM 768 O THR A 52 -1.804 -11.560 0.902 1.00 0.00 O ATOM 769 CB THR A 52 -1.195 -9.372 3.558 1.00 0.00 C ATOM 770 OG1 THR A 52 -2.037 -8.241 3.454 1.00 0.00 O ATOM 771 CG2 THR A 52 0.071 -9.123 2.736 1.00 0.00 C ATOM 0 H THR A 52 -0.589 -12.187 2.727 1.00 0.00 H new ATOM 0 HA THR A 52 -2.902 -10.636 3.631 1.00 0.00 H new ATOM 0 HB THR A 52 -0.902 -9.531 4.596 1.00 0.00 H new ATOM 0 HG1 THR A 52 -1.549 -7.442 3.743 1.00 0.00 H new ATOM 0 HG21 THR A 52 0.562 -8.216 3.090 1.00 0.00 H new ATOM 0 HG22 THR A 52 0.749 -9.969 2.846 1.00 0.00 H new ATOM 0 HG23 THR A 52 -0.195 -9.005 1.685 1.00 0.00 H new ATOM 779 N SER A 53 -3.033 -9.687 1.133 1.00 0.00 N ATOM 780 CA SER A 53 -3.511 -9.621 -0.244 1.00 0.00 C ATOM 781 C SER A 53 -3.678 -8.159 -0.681 1.00 0.00 C ATOM 782 O SER A 53 -3.710 -7.276 0.177 1.00 0.00 O ATOM 783 CB SER A 53 -4.839 -10.386 -0.348 1.00 0.00 C ATOM 784 OG SER A 53 -5.881 -9.667 0.281 1.00 0.00 O ATOM 0 H SER A 53 -3.352 -8.907 1.707 1.00 0.00 H new ATOM 0 HA SER A 53 -2.783 -10.082 -0.911 1.00 0.00 H new ATOM 0 HB2 SER A 53 -5.087 -10.553 -1.396 1.00 0.00 H new ATOM 0 HB3 SER A 53 -4.736 -11.367 0.115 1.00 0.00 H new ATOM 0 HG SER A 53 -6.719 -10.170 0.203 1.00 0.00 H new ATOM 790 N PRO A 54 -3.805 -7.878 -1.992 1.00 0.00 N ATOM 791 CA PRO A 54 -4.083 -6.542 -2.504 1.00 0.00 C ATOM 792 C PRO A 54 -5.334 -5.931 -1.869 1.00 0.00 C ATOM 793 O PRO A 54 -5.353 -4.742 -1.566 1.00 0.00 O ATOM 794 CB PRO A 54 -4.239 -6.693 -4.021 1.00 0.00 C ATOM 795 CG PRO A 54 -3.427 -7.949 -4.326 1.00 0.00 C ATOM 796 CD PRO A 54 -3.704 -8.814 -3.100 1.00 0.00 C ATOM 0 HA PRO A 54 -3.273 -5.857 -2.255 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -5.284 -6.808 -4.310 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -3.854 -5.824 -4.555 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -3.753 -8.431 -5.247 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -2.365 -7.730 -4.439 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -4.625 -9.384 -3.220 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -2.902 -9.534 -2.936 1.00 0.00 H new ATOM 804 N GLU A 55 -6.373 -6.750 -1.663 1.00 0.00 N ATOM 805 CA GLU A 55 -7.625 -6.326 -1.057 1.00 0.00 C ATOM 806 C GLU A 55 -7.442 -5.982 0.424 1.00 0.00 C ATOM 807 O GLU A 55 -8.036 -5.016 0.900 1.00 0.00 O ATOM 808 CB GLU A 55 -8.695 -7.405 -1.250 1.00 0.00 C ATOM 809 CG GLU A 55 -8.945 -7.669 -2.740 1.00 0.00 C ATOM 810 CD GLU A 55 -10.214 -8.488 -2.948 1.00 0.00 C ATOM 811 OE1 GLU A 55 -10.106 -9.732 -2.885 1.00 0.00 O ATOM 812 OE2 GLU A 55 -11.270 -7.853 -3.164 1.00 0.00 O ATOM 0 H GLU A 55 -6.360 -7.737 -1.919 1.00 0.00 H new ATOM 0 HA GLU A 55 -7.957 -5.416 -1.557 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -8.380 -8.327 -0.761 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -9.623 -7.092 -0.771 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -9.029 -6.721 -3.271 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -8.093 -8.198 -3.166 1.00 0.00 H new ATOM 819 N THR A 56 -6.624 -6.754 1.153 1.00 0.00 N ATOM 820 CA THR A 56 -6.305 -6.461 2.547 1.00 0.00 C ATOM 821 C THR A 56 -5.572 -5.120 2.643 1.00 0.00 C ATOM 822 O THR A 56 -5.915 -4.287 3.479 1.00 0.00 O ATOM 823 CB THR A 56 -5.466 -7.593 3.157 1.00 0.00 C ATOM 824 OG1 THR A 56 -6.125 -8.831 2.997 1.00 0.00 O ATOM 825 CG2 THR A 56 -5.212 -7.372 4.652 1.00 0.00 C ATOM 0 H THR A 56 -6.170 -7.593 0.791 1.00 0.00 H new ATOM 0 HA THR A 56 -7.232 -6.389 3.116 1.00 0.00 H new ATOM 0 HB THR A 56 -4.510 -7.598 2.633 1.00 0.00 H new ATOM 0 HG1 THR A 56 -6.047 -9.125 2.065 1.00 0.00 H new ATOM 0 HG21 THR A 56 -4.615 -8.195 5.045 1.00 0.00 H new ATOM 0 HG22 THR A 56 -4.676 -6.434 4.795 1.00 0.00 H new ATOM 0 HG23 THR A 56 -6.164 -7.330 5.181 1.00 0.00 H new ATOM 833 N LEU A 57 -4.569 -4.916 1.780 1.00 0.00 N ATOM 834 CA LEU A 57 -3.783 -3.692 1.717 1.00 0.00 C ATOM 835 C LEU A 57 -4.681 -2.490 1.413 1.00 0.00 C ATOM 836 O LEU A 57 -4.631 -1.491 2.127 1.00 0.00 O ATOM 837 CB LEU A 57 -2.678 -3.849 0.662 1.00 0.00 C ATOM 838 CG LEU A 57 -1.599 -4.863 1.081 1.00 0.00 C ATOM 839 CD1 LEU A 57 -0.795 -5.312 -0.144 1.00 0.00 C ATOM 840 CD2 LEU A 57 -0.646 -4.245 2.106 1.00 0.00 C ATOM 0 H LEU A 57 -4.281 -5.615 1.095 1.00 0.00 H new ATOM 0 HA LEU A 57 -3.315 -3.511 2.685 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -3.123 -4.167 -0.281 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -2.211 -2.880 0.483 1.00 0.00 H new ATOM 0 HG LEU A 57 -2.097 -5.723 1.529 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -0.034 -6.029 0.163 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -1.464 -5.779 -0.867 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -0.315 -4.447 -0.601 1.00 0.00 H new ATOM 0 HD21 LEU A 57 0.109 -4.978 2.389 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -0.159 -3.372 1.670 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -1.208 -3.943 2.990 1.00 0.00 H new ATOM 852 N ARG A 58 -5.513 -2.597 0.371 1.00 0.00 N ATOM 853 CA ARG A 58 -6.523 -1.609 0.011 1.00 0.00 C ATOM 854 C ARG A 58 -7.395 -1.268 1.224 1.00 0.00 C ATOM 855 O ARG A 58 -7.608 -0.094 1.523 1.00 0.00 O ATOM 856 CB ARG A 58 -7.358 -2.172 -1.146 1.00 0.00 C ATOM 857 CG ARG A 58 -8.412 -1.190 -1.673 1.00 0.00 C ATOM 858 CD ARG A 58 -9.284 -1.870 -2.732 1.00 0.00 C ATOM 859 NE ARG A 58 -10.045 -2.984 -2.149 1.00 0.00 N ATOM 860 CZ ARG A 58 -10.507 -4.057 -2.813 1.00 0.00 C ATOM 861 NH1 ARG A 58 -10.361 -4.171 -4.140 1.00 0.00 N ATOM 862 NH2 ARG A 58 -11.125 -5.032 -2.133 1.00 0.00 N ATOM 0 H ARG A 58 -5.498 -3.398 -0.260 1.00 0.00 H new ATOM 0 HA ARG A 58 -6.048 -0.682 -0.310 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -6.692 -2.451 -1.963 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -7.855 -3.084 -0.815 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -9.034 -0.837 -0.851 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -7.923 -0.315 -2.101 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -9.971 -1.143 -3.165 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -8.657 -2.238 -3.544 1.00 0.00 H new ATOM 0 HE ARG A 58 -10.240 -2.938 -1.149 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -9.891 -3.434 -4.667 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -10.720 -4.994 -4.624 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -11.240 -4.955 -1.123 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -11.480 -5.851 -2.626 1.00 0.00 H new ATOM 876 N GLY A 59 -7.884 -2.299 1.924 1.00 0.00 N ATOM 877 CA GLY A 59 -8.687 -2.168 3.129 1.00 0.00 C ATOM 878 C GLY A 59 -7.963 -1.383 4.224 1.00 0.00 C ATOM 879 O GLY A 59 -8.559 -0.508 4.846 1.00 0.00 O ATOM 0 H GLY A 59 -7.723 -3.270 1.654 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -9.625 -1.668 2.886 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -8.942 -3.160 3.503 1.00 0.00 H new ATOM 883 N ALA A 60 -6.682 -1.691 4.460 1.00 0.00 N ATOM 884 CA ALA A 60 -5.866 -1.021 5.463 1.00 0.00 C ATOM 885 C ALA A 60 -5.700 0.464 5.132 1.00 0.00 C ATOM 886 O ALA A 60 -5.869 1.312 6.004 1.00 0.00 O ATOM 887 CB ALA A 60 -4.508 -1.718 5.583 1.00 0.00 C ATOM 0 H ALA A 60 -6.184 -2.421 3.951 1.00 0.00 H new ATOM 0 HA ALA A 60 -6.373 -1.085 6.426 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -3.904 -1.211 6.335 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -4.657 -2.757 5.877 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -3.995 -1.683 4.622 1.00 0.00 H new ATOM 893 N ILE A 61 -5.382 0.781 3.873 1.00 0.00 N ATOM 894 CA ILE A 61 -5.236 2.153 3.400 1.00 0.00 C ATOM 895 C ILE A 61 -6.556 2.917 3.590 1.00 0.00 C ATOM 896 O ILE A 61 -6.555 4.059 4.050 1.00 0.00 O ATOM 897 CB ILE A 61 -4.773 2.147 1.931 1.00 0.00 C ATOM 898 CG1 ILE A 61 -3.376 1.518 1.781 1.00 0.00 C ATOM 899 CG2 ILE A 61 -4.733 3.583 1.398 1.00 0.00 C ATOM 900 CD1 ILE A 61 -3.120 0.994 0.364 1.00 0.00 C ATOM 0 H ILE A 61 -5.218 0.081 3.149 1.00 0.00 H new ATOM 0 HA ILE A 61 -4.475 2.670 3.985 1.00 0.00 H new ATOM 0 HB ILE A 61 -5.484 1.549 1.360 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -2.618 2.259 2.034 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -3.271 0.699 2.493 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -4.405 3.576 0.359 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -5.728 4.023 1.462 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -4.037 4.173 1.994 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -2.121 0.560 0.311 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -3.860 0.232 0.119 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -3.196 1.816 -0.347 1.00 0.00 H new ATOM 912 N GLU A 62 -7.680 2.280 3.242 1.00 0.00 N ATOM 913 CA GLU A 62 -9.013 2.838 3.424 1.00 0.00 C ATOM 914 C GLU A 62 -9.300 3.107 4.904 1.00 0.00 C ATOM 915 O GLU A 62 -9.849 4.155 5.238 1.00 0.00 O ATOM 916 CB GLU A 62 -10.044 1.905 2.778 1.00 0.00 C ATOM 917 CG GLU A 62 -11.439 2.536 2.735 1.00 0.00 C ATOM 918 CD GLU A 62 -12.407 1.648 1.961 1.00 0.00 C ATOM 919 OE1 GLU A 62 -12.985 0.743 2.600 1.00 0.00 O ATOM 920 OE2 GLU A 62 -12.549 1.887 0.741 1.00 0.00 O ATOM 0 H GLU A 62 -7.683 1.351 2.821 1.00 0.00 H new ATOM 0 HA GLU A 62 -9.079 3.805 2.926 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -9.726 1.659 1.765 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -10.086 0.969 3.335 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -11.807 2.686 3.750 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -11.385 3.519 2.267 1.00 0.00 H new ATOM 927 N ASP A 63 -8.919 2.174 5.786 1.00 0.00 N ATOM 928 CA ASP A 63 -9.077 2.313 7.227 1.00 0.00 C ATOM 929 C ASP A 63 -8.280 3.510 7.757 1.00 0.00 C ATOM 930 O ASP A 63 -8.799 4.268 8.574 1.00 0.00 O ATOM 931 CB ASP A 63 -8.675 1.010 7.928 1.00 0.00 C ATOM 932 CG ASP A 63 -8.872 1.103 9.439 1.00 0.00 C ATOM 933 OD1 ASP A 63 -10.035 0.946 9.871 1.00 0.00 O ATOM 934 OD2 ASP A 63 -7.858 1.330 10.134 1.00 0.00 O ATOM 0 H ASP A 63 -8.487 1.292 5.508 1.00 0.00 H new ATOM 0 HA ASP A 63 -10.127 2.507 7.447 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -9.268 0.185 7.533 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -7.631 0.785 7.709 1.00 0.00 H new ATOM 939 N MET A 64 -7.034 3.688 7.292 1.00 0.00 N ATOM 940 CA MET A 64 -6.219 4.848 7.641 1.00 0.00 C ATOM 941 C MET A 64 -6.913 6.141 7.202 1.00 0.00 C ATOM 942 O MET A 64 -6.973 7.089 7.983 1.00 0.00 O ATOM 943 CB MET A 64 -4.808 4.732 7.049 1.00 0.00 C ATOM 944 CG MET A 64 -3.999 3.633 7.748 1.00 0.00 C ATOM 945 SD MET A 64 -2.295 3.438 7.161 1.00 0.00 S ATOM 946 CE MET A 64 -1.555 4.938 7.857 1.00 0.00 C ATOM 0 H MET A 64 -6.570 3.030 6.666 1.00 0.00 H new ATOM 0 HA MET A 64 -6.110 4.879 8.725 1.00 0.00 H new ATOM 0 HB2 MET A 64 -4.875 4.515 5.983 1.00 0.00 H new ATOM 0 HB3 MET A 64 -4.290 5.686 7.148 1.00 0.00 H new ATOM 0 HG2 MET A 64 -3.976 3.845 8.817 1.00 0.00 H new ATOM 0 HG3 MET A 64 -4.521 2.684 7.622 1.00 0.00 H new ATOM 0 HE1 MET A 64 -0.473 4.903 7.730 1.00 0.00 H new ATOM 0 HE2 MET A 64 -1.952 5.813 7.342 1.00 0.00 H new ATOM 0 HE3 MET A 64 -1.794 5.003 8.919 1.00 0.00 H new ATOM 956 N GLY A 65 -7.448 6.170 5.973 1.00 0.00 N ATOM 957 CA GLY A 65 -8.321 7.238 5.500 1.00 0.00 C ATOM 958 C GLY A 65 -7.882 7.795 4.150 1.00 0.00 C ATOM 959 O GLY A 65 -7.717 9.006 4.013 1.00 0.00 O ATOM 0 H GLY A 65 -7.281 5.443 5.278 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -9.341 6.861 5.420 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -8.336 8.043 6.234 1.00 0.00 H new ATOM 963 N PHE A 66 -7.709 6.919 3.153 1.00 0.00 N ATOM 964 CA PHE A 66 -7.451 7.306 1.772 1.00 0.00 C ATOM 965 C PHE A 66 -8.232 6.366 0.860 1.00 0.00 C ATOM 966 O PHE A 66 -8.188 5.153 1.057 1.00 0.00 O ATOM 967 CB PHE A 66 -5.956 7.222 1.457 1.00 0.00 C ATOM 968 CG PHE A 66 -5.054 7.931 2.443 1.00 0.00 C ATOM 969 CD1 PHE A 66 -4.563 7.242 3.567 1.00 0.00 C ATOM 970 CD2 PHE A 66 -4.714 9.279 2.242 1.00 0.00 C ATOM 971 CE1 PHE A 66 -3.755 7.910 4.501 1.00 0.00 C ATOM 972 CE2 PHE A 66 -3.892 9.944 3.167 1.00 0.00 C ATOM 973 CZ PHE A 66 -3.426 9.263 4.306 1.00 0.00 C ATOM 0 H PHE A 66 -7.746 5.909 3.291 1.00 0.00 H new ATOM 0 HA PHE A 66 -7.768 8.337 1.614 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -5.668 6.172 1.414 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -5.785 7.640 0.465 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -4.807 6.200 3.711 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -5.085 9.805 1.375 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -3.386 7.384 5.369 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -3.618 10.976 3.004 1.00 0.00 H new ATOM 0 HZ PHE A 66 -2.815 9.780 5.031 1.00 0.00 H new ATOM 983 N ASP A 67 -8.941 6.910 -0.134 1.00 0.00 N ATOM 984 CA ASP A 67 -9.736 6.102 -1.046 1.00 0.00 C ATOM 985 C ASP A 67 -8.796 5.356 -1.996 1.00 0.00 C ATOM 986 O ASP A 67 -8.214 5.948 -2.906 1.00 0.00 O ATOM 987 CB ASP A 67 -10.823 6.934 -1.745 1.00 0.00 C ATOM 988 CG ASP A 67 -10.293 8.084 -2.597 1.00 0.00 C ATOM 989 OD1 ASP A 67 -9.671 8.995 -2.009 1.00 0.00 O ATOM 990 OD2 ASP A 67 -10.534 8.034 -3.823 1.00 0.00 O ATOM 0 H ASP A 67 -8.976 7.912 -0.323 1.00 0.00 H new ATOM 0 HA ASP A 67 -10.296 5.349 -0.492 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -11.417 6.274 -2.378 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -11.495 7.339 -0.988 1.00 0.00 H new ATOM 995 N ALA A 68 -8.634 4.052 -1.738 1.00 0.00 N ATOM 996 CA ALA A 68 -7.685 3.179 -2.406 1.00 0.00 C ATOM 997 C ALA A 68 -8.397 2.291 -3.425 1.00 0.00 C ATOM 998 O ALA A 68 -9.489 1.794 -3.154 1.00 0.00 O ATOM 999 CB ALA A 68 -6.969 2.327 -1.358 1.00 0.00 C ATOM 0 H ALA A 68 -9.185 3.567 -1.030 1.00 0.00 H new ATOM 0 HA ALA A 68 -6.954 3.783 -2.943 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -6.254 1.668 -1.851 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -6.442 2.977 -0.659 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -7.700 1.728 -0.815 1.00 0.00 H new ATOM 1005 N THR A 69 -7.771 2.088 -4.591 1.00 0.00 N ATOM 1006 CA THR A 69 -8.263 1.217 -5.653 1.00 0.00 C ATOM 1007 C THR A 69 -7.073 0.501 -6.294 1.00 0.00 C ATOM 1008 O THR A 69 -5.989 1.071 -6.394 1.00 0.00 O ATOM 1009 CB THR A 69 -9.053 2.021 -6.699 1.00 0.00 C ATOM 1010 OG1 THR A 69 -8.273 3.082 -7.208 1.00 0.00 O ATOM 1011 CG2 THR A 69 -10.357 2.591 -6.132 1.00 0.00 C ATOM 0 H THR A 69 -6.886 2.539 -4.823 1.00 0.00 H new ATOM 0 HA THR A 69 -8.945 0.478 -5.232 1.00 0.00 H new ATOM 0 HB THR A 69 -9.302 1.324 -7.499 1.00 0.00 H new ATOM 0 HG1 THR A 69 -8.793 3.580 -7.873 1.00 0.00 H new ATOM 0 HG21 THR A 69 -10.878 3.150 -6.909 1.00 0.00 H new ATOM 0 HG22 THR A 69 -10.991 1.775 -5.786 1.00 0.00 H new ATOM 0 HG23 THR A 69 -10.131 3.254 -5.297 1.00 0.00 H new ATOM 1019 N LEU A 70 -7.264 -0.753 -6.719 1.00 0.00 N ATOM 1020 CA LEU A 70 -6.193 -1.571 -7.273 1.00 0.00 C ATOM 1021 C LEU A 70 -5.807 -1.064 -8.665 1.00 0.00 C ATOM 1022 O LEU A 70 -6.671 -0.927 -9.529 1.00 0.00 O ATOM 1023 CB LEU A 70 -6.625 -3.045 -7.345 1.00 0.00 C ATOM 1024 CG LEU A 70 -7.153 -3.625 -6.021 1.00 0.00 C ATOM 1025 CD1 LEU A 70 -7.483 -5.109 -6.217 1.00 0.00 C ATOM 1026 CD2 LEU A 70 -6.147 -3.481 -4.875 1.00 0.00 C ATOM 0 H LEU A 70 -8.168 -1.224 -6.686 1.00 0.00 H new ATOM 0 HA LEU A 70 -5.325 -1.496 -6.618 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -7.400 -3.146 -8.105 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -5.775 -3.643 -7.675 1.00 0.00 H new ATOM 0 HG LEU A 70 -8.044 -3.060 -5.748 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -7.858 -5.525 -5.282 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -8.243 -5.214 -6.991 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -6.583 -5.645 -6.518 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -6.569 -3.906 -3.964 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -5.228 -4.009 -5.129 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -5.927 -2.426 -4.715 1.00 0.00 H new ATOM 1038 N SER A 71 -4.511 -0.804 -8.884 1.00 0.00 N ATOM 1039 CA SER A 71 -3.966 -0.498 -10.203 1.00 0.00 C ATOM 1040 C SER A 71 -3.712 -1.820 -10.927 1.00 0.00 C ATOM 1041 O SER A 71 -4.158 -2.015 -12.056 1.00 0.00 O ATOM 1042 CB SER A 71 -2.660 0.308 -10.104 1.00 0.00 C ATOM 1043 OG SER A 71 -2.626 1.120 -8.953 1.00 0.00 O ATOM 0 H SER A 71 -3.811 -0.801 -8.142 1.00 0.00 H new ATOM 0 HA SER A 71 -4.680 0.114 -10.753 1.00 0.00 H new ATOM 0 HB2 SER A 71 -1.812 -0.377 -10.090 1.00 0.00 H new ATOM 0 HB3 SER A 71 -2.551 0.932 -10.991 1.00 0.00 H new ATOM 0 HG SER A 71 -1.964 1.832 -9.074 1.00 0.00 H new ATOM 1049 N ASP A 72 -2.986 -2.720 -10.250 1.00 0.00 N ATOM 1050 CA ASP A 72 -2.621 -4.041 -10.729 1.00 0.00 C ATOM 1051 C ASP A 72 -2.329 -4.922 -9.515 1.00 0.00 C ATOM 1052 O ASP A 72 -2.892 -6.036 -9.461 1.00 0.00 O ATOM 1053 CB ASP A 72 -1.392 -3.937 -11.641 1.00 0.00 C ATOM 1054 CG ASP A 72 -0.926 -5.311 -12.115 1.00 0.00 C ATOM 1055 OD1 ASP A 72 -1.620 -5.876 -12.988 1.00 0.00 O ATOM 1056 OD2 ASP A 72 0.116 -5.771 -11.600 1.00 0.00 O ATOM 1057 OXT ASP A 72 -1.546 -4.461 -8.657 1.00 0.00 O ATOM 0 H ASP A 72 -2.626 -2.530 -9.315 1.00 0.00 H new ATOM 0 HA ASP A 72 -3.432 -4.480 -11.309 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -1.630 -3.315 -12.504 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -0.582 -3.442 -11.106 1.00 0.00 H new TER 1062 ASP A 72 HETATM 1063 AG AG A 73 0.071 14.485 4.200 1.00 0.00 AG