USER MOD reduce.3.24.130724 H: found=0, std=0, add=498, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 498 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 156:sc= -0.36 (180deg=-1.12) USER MOD Single : A 2 ASN : amide:sc= -2! C(o=-2!,f=-3.6!) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0.00482 USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot -118:sc= -0.225! USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 35 HIS : no HD1:sc= -0.911 K(o=-0.91,f=-0.11) USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -8.753 -1.434 -3.822 1.00 0.00 N ATOM 2 CA MET A 1 -7.992 -0.193 -3.486 1.00 0.00 C ATOM 3 C MET A 1 -6.697 -0.507 -2.721 1.00 0.00 C ATOM 4 O MET A 1 -5.619 -0.048 -3.110 1.00 0.00 O ATOM 5 CB MET A 1 -8.897 0.760 -2.682 1.00 0.00 C ATOM 6 CG MET A 1 -9.574 0.127 -1.475 1.00 0.00 C ATOM 7 SD MET A 1 -8.745 0.527 0.075 1.00 0.00 S ATOM 8 CE MET A 1 -9.777 1.860 0.680 1.00 0.00 C ATOM 0 H1 MET A 1 -9.758 -1.200 -3.954 1.00 0.00 H new ATOM 0 H2 MET A 1 -8.375 -1.846 -4.699 1.00 0.00 H new ATOM 0 H3 MET A 1 -8.657 -2.121 -3.047 1.00 0.00 H new ATOM 0 HA MET A 1 -7.695 0.294 -4.415 1.00 0.00 H new ATOM 0 HB2 MET A 1 -8.300 1.607 -2.344 1.00 0.00 H new ATOM 0 HB3 MET A 1 -9.665 1.156 -3.346 1.00 0.00 H new ATOM 0 HG2 MET A 1 -10.610 0.464 -1.426 1.00 0.00 H new ATOM 0 HG3 MET A 1 -9.596 -0.955 -1.602 1.00 0.00 H new ATOM 0 HE1 MET A 1 -9.390 2.215 1.635 1.00 0.00 H new ATOM 0 HE2 MET A 1 -9.773 2.679 -0.040 1.00 0.00 H new ATOM 0 HE3 MET A 1 -10.797 1.499 0.813 1.00 0.00 H new ATOM 20 N ASN A 2 -6.796 -1.293 -1.646 1.00 0.00 N ATOM 21 CA ASN A 2 -5.622 -1.665 -0.859 1.00 0.00 C ATOM 22 C ASN A 2 -4.993 -2.947 -1.404 1.00 0.00 C ATOM 23 O ASN A 2 -5.689 -3.824 -1.919 1.00 0.00 O ATOM 24 CB ASN A 2 -5.985 -1.852 0.621 1.00 0.00 C ATOM 25 CG ASN A 2 -7.132 -2.831 0.835 1.00 0.00 C ATOM 26 OD1 ASN A 2 -7.081 -3.973 0.381 1.00 0.00 O ATOM 27 ND2 ASN A 2 -8.172 -2.390 1.535 1.00 0.00 N ATOM 0 H ASN A 2 -7.674 -1.682 -1.303 1.00 0.00 H new ATOM 0 HA ASN A 2 -4.899 -0.853 -0.938 1.00 0.00 H new ATOM 0 HB2 ASN A 2 -5.108 -2.206 1.162 1.00 0.00 H new ATOM 0 HB3 ASN A 2 -6.255 -0.886 1.048 1.00 0.00 H new ATOM 0 HD21 ASN A 2 -8.965 -3.006 1.712 1.00 0.00 H new ATOM 0 HD22 ASN A 2 -8.177 -1.436 1.895 1.00 0.00 H new ATOM 34 N VAL A 3 -3.672 -3.048 -1.280 1.00 0.00 N ATOM 35 CA VAL A 3 -2.937 -4.220 -1.745 1.00 0.00 C ATOM 36 C VAL A 3 -2.569 -5.122 -0.569 1.00 0.00 C ATOM 37 O VAL A 3 -2.202 -4.635 0.504 1.00 0.00 O ATOM 38 CB VAL A 3 -1.652 -3.829 -2.510 1.00 0.00 C ATOM 39 CG1 VAL A 3 -1.995 -3.074 -3.788 1.00 0.00 C ATOM 40 CG2 VAL A 3 -0.722 -3.003 -1.632 1.00 0.00 C ATOM 0 H VAL A 3 -3.086 -2.327 -0.859 1.00 0.00 H new ATOM 0 HA VAL A 3 -3.593 -4.757 -2.430 1.00 0.00 H new ATOM 0 HB VAL A 3 -1.131 -4.747 -2.782 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -1.076 -2.808 -4.311 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -2.609 -3.706 -4.430 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -2.546 -2.167 -3.538 1.00 0.00 H new ATOM 0 HG21 VAL A 3 0.174 -2.742 -2.196 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -1.232 -2.092 -1.318 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -0.441 -3.583 -0.753 1.00 0.00 H new ATOM 50 N THR A 4 -2.677 -6.434 -0.767 1.00 0.00 N ATOM 51 CA THR A 4 -2.357 -7.390 0.288 1.00 0.00 C ATOM 52 C THR A 4 -0.846 -7.484 0.467 1.00 0.00 C ATOM 53 O THR A 4 -0.131 -7.936 -0.431 1.00 0.00 O ATOM 54 CB THR A 4 -2.945 -8.770 -0.034 1.00 0.00 C ATOM 55 OG1 THR A 4 -4.139 -8.646 -0.786 1.00 0.00 O ATOM 56 CG2 THR A 4 -3.264 -9.589 1.200 1.00 0.00 C ATOM 0 H THR A 4 -2.982 -6.857 -1.644 1.00 0.00 H new ATOM 0 HA THR A 4 -2.801 -7.040 1.220 1.00 0.00 H new ATOM 0 HB THR A 4 -2.172 -9.285 -0.604 1.00 0.00 H new ATOM 0 HG1 THR A 4 -4.496 -9.537 -0.982 1.00 0.00 H new ATOM 0 HG21 THR A 4 -3.676 -10.553 0.901 1.00 0.00 H new ATOM 0 HG22 THR A 4 -2.353 -9.748 1.777 1.00 0.00 H new ATOM 0 HG23 THR A 4 -3.993 -9.057 1.811 1.00 0.00 H new ATOM 64 N VAL A 5 -0.368 -7.033 1.625 1.00 0.00 N ATOM 65 CA VAL A 5 1.058 -7.039 1.922 1.00 0.00 C ATOM 66 C VAL A 5 1.379 -7.914 3.132 1.00 0.00 C ATOM 67 O VAL A 5 0.692 -7.860 4.153 1.00 0.00 O ATOM 68 CB VAL A 5 1.575 -5.606 2.172 1.00 0.00 C ATOM 69 CG1 VAL A 5 1.490 -4.781 0.898 1.00 0.00 C ATOM 70 CG2 VAL A 5 0.793 -4.935 3.291 1.00 0.00 C ATOM 0 H VAL A 5 -0.951 -6.658 2.373 1.00 0.00 H new ATOM 0 HA VAL A 5 1.562 -7.457 1.050 1.00 0.00 H new ATOM 0 HB VAL A 5 2.619 -5.670 2.477 1.00 0.00 H new ATOM 0 HG11 VAL A 5 1.858 -3.774 1.092 1.00 0.00 H new ATOM 0 HG12 VAL A 5 2.098 -5.246 0.122 1.00 0.00 H new ATOM 0 HG13 VAL A 5 0.453 -4.731 0.566 1.00 0.00 H new ATOM 0 HG21 VAL A 5 1.176 -3.927 3.448 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -0.261 -4.885 3.019 1.00 0.00 H new ATOM 0 HG23 VAL A 5 0.903 -5.512 4.209 1.00 0.00 H new ATOM 80 N GLU A 6 2.431 -8.719 3.005 1.00 0.00 N ATOM 81 CA GLU A 6 2.855 -9.604 4.083 1.00 0.00 C ATOM 82 C GLU A 6 3.744 -8.855 5.074 1.00 0.00 C ATOM 83 O GLU A 6 4.843 -8.414 4.728 1.00 0.00 O ATOM 84 CB GLU A 6 3.598 -10.813 3.508 1.00 0.00 C ATOM 85 CG GLU A 6 3.660 -12.000 4.452 1.00 0.00 C ATOM 86 CD GLU A 6 5.070 -12.278 4.933 1.00 0.00 C ATOM 87 OE1 GLU A 6 5.788 -13.043 4.251 1.00 0.00 O ATOM 88 OE2 GLU A 6 5.461 -11.724 5.979 1.00 0.00 O ATOM 0 H GLU A 6 3.005 -8.776 2.164 1.00 0.00 H new ATOM 0 HA GLU A 6 1.970 -9.955 4.614 1.00 0.00 H new ATOM 0 HB2 GLU A 6 3.110 -11.121 2.583 1.00 0.00 H new ATOM 0 HB3 GLU A 6 4.613 -10.514 3.248 1.00 0.00 H new ATOM 0 HG2 GLU A 6 3.016 -11.813 5.311 1.00 0.00 H new ATOM 0 HG3 GLU A 6 3.270 -12.884 3.947 1.00 0.00 H new ATOM 95 N VAL A 7 3.256 -8.709 6.305 1.00 0.00 N ATOM 96 CA VAL A 7 3.998 -8.008 7.351 1.00 0.00 C ATOM 97 C VAL A 7 4.983 -8.946 8.043 1.00 0.00 C ATOM 98 O VAL A 7 4.632 -10.071 8.401 1.00 0.00 O ATOM 99 CB VAL A 7 3.052 -7.400 8.412 1.00 0.00 C ATOM 100 CG1 VAL A 7 3.817 -6.484 9.357 1.00 0.00 C ATOM 101 CG2 VAL A 7 1.900 -6.653 7.750 1.00 0.00 C ATOM 0 H VAL A 7 2.349 -9.068 6.602 1.00 0.00 H new ATOM 0 HA VAL A 7 4.544 -7.201 6.863 1.00 0.00 H new ATOM 0 HB VAL A 7 2.632 -8.218 8.997 1.00 0.00 H new ATOM 0 HG11 VAL A 7 3.131 -6.068 10.095 1.00 0.00 H new ATOM 0 HG12 VAL A 7 4.595 -7.054 9.865 1.00 0.00 H new ATOM 0 HG13 VAL A 7 4.274 -5.674 8.788 1.00 0.00 H new ATOM 0 HG21 VAL A 7 1.249 -6.235 8.517 1.00 0.00 H new ATOM 0 HG22 VAL A 7 2.296 -5.847 7.132 1.00 0.00 H new ATOM 0 HG23 VAL A 7 1.330 -7.342 7.127 1.00 0.00 H new ATOM 111 N VAL A 8 6.214 -8.475 8.234 1.00 0.00 N ATOM 112 CA VAL A 8 7.247 -9.272 8.889 1.00 0.00 C ATOM 113 C VAL A 8 6.903 -9.490 10.363 1.00 0.00 C ATOM 114 O VAL A 8 6.750 -8.531 11.121 1.00 0.00 O ATOM 115 CB VAL A 8 8.633 -8.599 8.786 1.00 0.00 C ATOM 116 CG1 VAL A 8 9.722 -9.519 9.319 1.00 0.00 C ATOM 117 CG2 VAL A 8 8.928 -8.188 7.349 1.00 0.00 C ATOM 0 H VAL A 8 6.519 -7.546 7.944 1.00 0.00 H new ATOM 0 HA VAL A 8 7.287 -10.233 8.376 1.00 0.00 H new ATOM 0 HB VAL A 8 8.619 -7.699 9.401 1.00 0.00 H new ATOM 0 HG11 VAL A 8 10.689 -9.024 9.236 1.00 0.00 H new ATOM 0 HG12 VAL A 8 9.522 -9.752 10.365 1.00 0.00 H new ATOM 0 HG13 VAL A 8 9.736 -10.441 8.738 1.00 0.00 H new ATOM 0 HG21 VAL A 8 9.909 -7.716 7.300 1.00 0.00 H new ATOM 0 HG22 VAL A 8 8.917 -9.070 6.709 1.00 0.00 H new ATOM 0 HG23 VAL A 8 8.169 -7.483 7.009 1.00 0.00 H new ATOM 127 N GLY A 9 6.774 -10.758 10.757 1.00 0.00 N ATOM 128 CA GLY A 9 6.438 -11.086 12.135 1.00 0.00 C ATOM 129 C GLY A 9 4.943 -11.019 12.399 1.00 0.00 C ATOM 130 O GLY A 9 4.341 -11.991 12.853 1.00 0.00 O ATOM 0 H GLY A 9 6.897 -11.565 10.145 1.00 0.00 H new ATOM 0 HA2 GLY A 9 6.800 -12.088 12.366 1.00 0.00 H new ATOM 0 HA3 GLY A 9 6.954 -10.398 12.805 1.00 0.00 H new ATOM 134 N GLU A 10 4.349 -9.864 12.103 1.00 0.00 N ATOM 135 CA GLU A 10 2.918 -9.649 12.297 1.00 0.00 C ATOM 136 C GLU A 10 2.108 -10.317 11.185 1.00 0.00 C ATOM 137 O GLU A 10 2.657 -10.685 10.145 1.00 0.00 O ATOM 138 CB GLU A 10 2.614 -8.148 12.344 1.00 0.00 C ATOM 139 CG GLU A 10 1.967 -7.692 13.642 1.00 0.00 C ATOM 140 CD GLU A 10 0.494 -7.362 13.487 1.00 0.00 C ATOM 141 OE1 GLU A 10 0.132 -6.688 12.499 1.00 0.00 O ATOM 142 OE2 GLU A 10 -0.301 -7.772 14.362 1.00 0.00 O ATOM 0 H GLU A 10 4.843 -9.056 11.724 1.00 0.00 H new ATOM 0 HA GLU A 10 2.630 -10.102 13.246 1.00 0.00 H new ATOM 0 HB2 GLU A 10 3.541 -7.594 12.197 1.00 0.00 H new ATOM 0 HB3 GLU A 10 1.956 -7.894 11.513 1.00 0.00 H new ATOM 0 HG2 GLU A 10 2.081 -8.474 14.393 1.00 0.00 H new ATOM 0 HG3 GLU A 10 2.493 -6.813 14.015 1.00 0.00 H new ATOM 149 N GLU A 11 0.801 -10.481 11.416 1.00 0.00 N ATOM 150 CA GLU A 11 -0.090 -11.115 10.438 1.00 0.00 C ATOM 151 C GLU A 11 -0.083 -10.361 9.099 1.00 0.00 C ATOM 152 O GLU A 11 0.772 -9.508 8.857 1.00 0.00 O ATOM 153 CB GLU A 11 -1.520 -11.191 10.997 1.00 0.00 C ATOM 154 CG GLU A 11 -2.116 -12.593 10.963 1.00 0.00 C ATOM 155 CD GLU A 11 -2.027 -13.309 12.299 1.00 0.00 C ATOM 156 OE1 GLU A 11 -0.911 -13.391 12.859 1.00 0.00 O ATOM 157 OE2 GLU A 11 -3.072 -13.789 12.785 1.00 0.00 O ATOM 0 H GLU A 11 0.336 -10.183 12.273 1.00 0.00 H new ATOM 0 HA GLU A 11 0.278 -12.124 10.254 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -1.518 -10.831 12.026 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -2.160 -10.519 10.425 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -3.161 -12.530 10.660 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -1.599 -13.183 10.206 1.00 0.00 H new ATOM 164 N THR A 12 -1.040 -10.677 8.224 1.00 0.00 N ATOM 165 CA THR A 12 -1.116 -10.029 6.917 1.00 0.00 C ATOM 166 C THR A 12 -2.157 -8.912 6.913 1.00 0.00 C ATOM 167 O THR A 12 -3.308 -9.118 7.299 1.00 0.00 O ATOM 168 CB THR A 12 -1.447 -11.056 5.828 1.00 0.00 C ATOM 169 OG1 THR A 12 -0.587 -12.180 5.915 1.00 0.00 O ATOM 170 CG2 THR A 12 -1.331 -10.499 4.425 1.00 0.00 C ATOM 0 H THR A 12 -1.767 -11.372 8.396 1.00 0.00 H new ATOM 0 HA THR A 12 -0.141 -9.589 6.707 1.00 0.00 H new ATOM 0 HB THR A 12 -2.484 -11.339 6.007 1.00 0.00 H new ATOM 0 HG1 THR A 12 -0.817 -12.823 5.212 1.00 0.00 H new ATOM 0 HG21 THR A 12 -1.578 -11.277 3.703 1.00 0.00 H new ATOM 0 HG22 THR A 12 -2.020 -9.663 4.307 1.00 0.00 H new ATOM 0 HG23 THR A 12 -0.311 -10.156 4.253 1.00 0.00 H new ATOM 178 N SER A 13 -1.734 -7.727 6.470 1.00 0.00 N ATOM 179 CA SER A 13 -2.610 -6.561 6.406 1.00 0.00 C ATOM 180 C SER A 13 -2.604 -5.946 5.008 1.00 0.00 C ATOM 181 O SER A 13 -1.711 -6.217 4.202 1.00 0.00 O ATOM 182 CB SER A 13 -2.184 -5.514 7.440 1.00 0.00 C ATOM 183 OG SER A 13 -2.789 -5.763 8.696 1.00 0.00 O ATOM 0 H SER A 13 -0.782 -7.551 6.148 1.00 0.00 H new ATOM 0 HA SER A 13 -3.624 -6.891 6.632 1.00 0.00 H new ATOM 0 HB2 SER A 13 -1.099 -5.524 7.547 1.00 0.00 H new ATOM 0 HB3 SER A 13 -2.461 -4.519 7.090 1.00 0.00 H new ATOM 0 HG SER A 13 -2.500 -5.082 9.339 1.00 0.00 H new ATOM 189 N GLU A 14 -3.608 -5.116 4.725 1.00 0.00 N ATOM 190 CA GLU A 14 -3.724 -4.461 3.426 1.00 0.00 C ATOM 191 C GLU A 14 -3.348 -2.986 3.527 1.00 0.00 C ATOM 192 O GLU A 14 -3.609 -2.338 4.542 1.00 0.00 O ATOM 193 CB GLU A 14 -5.148 -4.604 2.882 1.00 0.00 C ATOM 194 CG GLU A 14 -5.474 -6.008 2.387 1.00 0.00 C ATOM 195 CD GLU A 14 -6.327 -6.805 3.360 1.00 0.00 C ATOM 196 OE1 GLU A 14 -6.065 -6.739 4.581 1.00 0.00 O ATOM 197 OE2 GLU A 14 -7.257 -7.499 2.898 1.00 0.00 O ATOM 0 H GLU A 14 -4.353 -4.882 5.381 1.00 0.00 H new ATOM 0 HA GLU A 14 -3.032 -4.947 2.738 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -5.856 -4.330 3.664 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -5.288 -3.898 2.064 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -5.994 -5.937 1.432 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -4.544 -6.546 2.204 1.00 0.00 H new ATOM 204 N VAL A 15 -2.729 -2.460 2.469 1.00 0.00 N ATOM 205 CA VAL A 15 -2.314 -1.059 2.438 1.00 0.00 C ATOM 206 C VAL A 15 -2.764 -0.378 1.144 1.00 0.00 C ATOM 207 O VAL A 15 -2.827 -1.010 0.090 1.00 0.00 O ATOM 208 CB VAL A 15 -0.779 -0.928 2.588 1.00 0.00 C ATOM 209 CG1 VAL A 15 -0.055 -1.677 1.477 1.00 0.00 C ATOM 210 CG2 VAL A 15 -0.360 0.535 2.617 1.00 0.00 C ATOM 0 H VAL A 15 -2.505 -2.984 1.623 1.00 0.00 H new ATOM 0 HA VAL A 15 -2.793 -0.562 3.281 1.00 0.00 H new ATOM 0 HB VAL A 15 -0.495 -1.381 3.538 1.00 0.00 H new ATOM 0 HG11 VAL A 15 1.022 -1.568 1.607 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -0.321 -2.733 1.517 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -0.347 -1.266 0.511 1.00 0.00 H new ATOM 0 HG21 VAL A 15 0.723 0.601 2.723 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -0.664 1.019 1.689 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -0.838 1.034 3.460 1.00 0.00 H new ATOM 220 N ALA A 16 -3.078 0.915 1.228 1.00 0.00 N ATOM 221 CA ALA A 16 -3.523 1.671 0.059 1.00 0.00 C ATOM 222 C ALA A 16 -2.332 2.186 -0.748 1.00 0.00 C ATOM 223 O ALA A 16 -1.466 2.885 -0.216 1.00 0.00 O ATOM 224 CB ALA A 16 -4.421 2.824 0.486 1.00 0.00 C ATOM 0 H ALA A 16 -3.032 1.458 2.090 1.00 0.00 H new ATOM 0 HA ALA A 16 -4.096 1.001 -0.582 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -4.745 3.378 -0.395 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -5.293 2.432 1.009 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -3.869 3.489 1.150 1.00 0.00 H new ATOM 230 N VAL A 17 -2.295 1.827 -2.032 1.00 0.00 N ATOM 231 CA VAL A 17 -1.208 2.237 -2.921 1.00 0.00 C ATOM 232 C VAL A 17 -1.730 3.020 -4.132 1.00 0.00 C ATOM 233 O VAL A 17 -2.869 2.830 -4.565 1.00 0.00 O ATOM 234 CB VAL A 17 -0.401 1.011 -3.415 1.00 0.00 C ATOM 235 CG1 VAL A 17 0.854 1.442 -4.161 1.00 0.00 C ATOM 236 CG2 VAL A 17 -0.039 0.098 -2.249 1.00 0.00 C ATOM 0 H VAL A 17 -3.008 1.251 -2.480 1.00 0.00 H new ATOM 0 HA VAL A 17 -0.555 2.888 -2.340 1.00 0.00 H new ATOM 0 HB VAL A 17 -1.032 0.455 -4.108 1.00 0.00 H new ATOM 0 HG11 VAL A 17 1.400 0.560 -4.495 1.00 0.00 H new ATOM 0 HG12 VAL A 17 0.575 2.045 -5.025 1.00 0.00 H new ATOM 0 HG13 VAL A 17 1.488 2.030 -3.497 1.00 0.00 H new ATOM 0 HG21 VAL A 17 0.528 -0.757 -2.618 1.00 0.00 H new ATOM 0 HG22 VAL A 17 0.565 0.650 -1.529 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -0.950 -0.253 -1.765 1.00 0.00 H new ATOM 246 N ASP A 18 -0.879 3.901 -4.668 1.00 0.00 N ATOM 247 CA ASP A 18 -1.226 4.726 -5.829 1.00 0.00 C ATOM 248 C ASP A 18 -1.166 3.915 -7.125 1.00 0.00 C ATOM 249 O ASP A 18 -2.056 4.016 -7.972 1.00 0.00 O ATOM 250 CB ASP A 18 -0.278 5.934 -5.933 1.00 0.00 C ATOM 251 CG ASP A 18 1.191 5.546 -5.881 1.00 0.00 C ATOM 252 OD1 ASP A 18 1.685 5.238 -4.775 1.00 0.00 O ATOM 253 OD2 ASP A 18 1.847 5.548 -6.944 1.00 0.00 O ATOM 0 H ASP A 18 0.063 4.061 -4.312 1.00 0.00 H new ATOM 0 HA ASP A 18 -2.248 5.079 -5.689 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -0.475 6.463 -6.865 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -0.493 6.628 -5.121 1.00 0.00 H new ATOM 258 N ASP A 19 -0.102 3.122 -7.277 1.00 0.00 N ATOM 259 CA ASP A 19 0.093 2.296 -8.472 1.00 0.00 C ATOM 260 C ASP A 19 -1.108 1.392 -8.749 1.00 0.00 C ATOM 261 O ASP A 19 -1.373 1.044 -9.901 1.00 0.00 O ATOM 262 CB ASP A 19 1.357 1.442 -8.328 1.00 0.00 C ATOM 263 CG ASP A 19 2.238 1.483 -9.563 1.00 0.00 C ATOM 264 OD1 ASP A 19 2.401 2.574 -10.152 1.00 0.00 O ATOM 265 OD2 ASP A 19 2.769 0.418 -9.945 1.00 0.00 O ATOM 0 H ASP A 19 0.641 3.034 -6.584 1.00 0.00 H new ATOM 0 HA ASP A 19 0.202 2.975 -9.317 1.00 0.00 H new ATOM 0 HB2 ASP A 19 1.929 1.790 -7.468 1.00 0.00 H new ATOM 0 HB3 ASP A 19 1.071 0.410 -8.125 1.00 0.00 H new ATOM 270 N ASP A 20 -1.824 1.016 -7.687 1.00 0.00 N ATOM 271 CA ASP A 20 -2.999 0.154 -7.799 1.00 0.00 C ATOM 272 C ASP A 20 -3.985 0.667 -8.858 1.00 0.00 C ATOM 273 O ASP A 20 -4.706 -0.120 -9.473 1.00 0.00 O ATOM 274 CB ASP A 20 -3.695 0.048 -6.437 1.00 0.00 C ATOM 275 CG ASP A 20 -4.628 -1.147 -6.340 1.00 0.00 C ATOM 276 OD1 ASP A 20 -4.224 -2.252 -6.758 1.00 0.00 O ATOM 277 OD2 ASP A 20 -5.758 -0.979 -5.839 1.00 0.00 O ATOM 0 H ASP A 20 -1.606 1.299 -6.732 1.00 0.00 H new ATOM 0 HA ASP A 20 -2.662 -0.833 -8.117 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -2.940 -0.022 -5.654 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -4.262 0.961 -6.252 1.00 0.00 H new ATOM 282 N GLY A 21 -4.013 1.989 -9.064 1.00 0.00 N ATOM 283 CA GLY A 21 -4.913 2.577 -10.042 1.00 0.00 C ATOM 284 C GLY A 21 -6.344 2.673 -9.540 1.00 0.00 C ATOM 285 O GLY A 21 -7.288 2.683 -10.334 1.00 0.00 O ATOM 0 H GLY A 21 -3.426 2.660 -8.568 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -4.557 3.573 -10.304 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -4.892 1.980 -10.954 1.00 0.00 H new ATOM 289 N THR A 22 -6.508 2.743 -8.218 1.00 0.00 N ATOM 290 CA THR A 22 -7.833 2.837 -7.607 1.00 0.00 C ATOM 291 C THR A 22 -8.089 4.235 -7.051 1.00 0.00 C ATOM 292 O THR A 22 -7.225 5.110 -7.118 1.00 0.00 O ATOM 293 CB THR A 22 -7.975 1.803 -6.484 1.00 0.00 C ATOM 294 OG1 THR A 22 -6.740 1.601 -5.817 1.00 0.00 O ATOM 295 CG2 THR A 22 -8.463 0.454 -6.971 1.00 0.00 C ATOM 0 H THR A 22 -5.738 2.736 -7.550 1.00 0.00 H new ATOM 0 HA THR A 22 -8.571 2.634 -8.383 1.00 0.00 H new ATOM 0 HB THR A 22 -8.720 2.219 -5.806 1.00 0.00 H new ATOM 0 HG1 THR A 22 -6.460 0.668 -5.923 1.00 0.00 H new ATOM 0 HG21 THR A 22 -8.541 -0.231 -6.127 1.00 0.00 H new ATOM 0 HG22 THR A 22 -9.441 0.568 -7.438 1.00 0.00 H new ATOM 0 HG23 THR A 22 -7.758 0.053 -7.699 1.00 0.00 H new ATOM 303 N TYR A 23 -9.284 4.429 -6.488 1.00 0.00 N ATOM 304 CA TYR A 23 -9.665 5.714 -5.902 1.00 0.00 C ATOM 305 C TYR A 23 -8.677 6.136 -4.810 1.00 0.00 C ATOM 306 O TYR A 23 -8.423 7.327 -4.625 1.00 0.00 O ATOM 307 CB TYR A 23 -11.080 5.634 -5.319 1.00 0.00 C ATOM 308 CG TYR A 23 -11.821 6.950 -5.354 1.00 0.00 C ATOM 309 CD1 TYR A 23 -11.685 7.870 -4.324 1.00 0.00 C ATOM 310 CD2 TYR A 23 -12.653 7.273 -6.418 1.00 0.00 C ATOM 311 CE1 TYR A 23 -12.360 9.074 -4.350 1.00 0.00 C ATOM 312 CE2 TYR A 23 -13.331 8.476 -6.453 1.00 0.00 C ATOM 313 CZ TYR A 23 -13.180 9.374 -5.417 1.00 0.00 C ATOM 314 OH TYR A 23 -13.854 10.573 -5.450 1.00 0.00 O ATOM 0 H TYR A 23 -10.005 3.710 -6.426 1.00 0.00 H new ATOM 0 HA TYR A 23 -9.645 6.463 -6.694 1.00 0.00 H new ATOM 0 HB2 TYR A 23 -11.651 4.889 -5.873 1.00 0.00 H new ATOM 0 HB3 TYR A 23 -11.020 5.287 -4.287 1.00 0.00 H new ATOM 0 HD1 TYR A 23 -11.041 7.640 -3.488 1.00 0.00 H new ATOM 0 HD2 TYR A 23 -12.772 6.572 -7.231 1.00 0.00 H new ATOM 0 HE1 TYR A 23 -12.246 9.777 -3.538 1.00 0.00 H new ATOM 0 HE2 TYR A 23 -13.976 8.712 -7.287 1.00 0.00 H new ATOM 0 HH TYR A 23 -14.387 10.626 -6.271 1.00 0.00 H new ATOM 324 N ALA A 24 -8.112 5.150 -4.102 1.00 0.00 N ATOM 325 CA ALA A 24 -7.143 5.422 -3.039 1.00 0.00 C ATOM 326 C ALA A 24 -5.970 6.252 -3.567 1.00 0.00 C ATOM 327 O ALA A 24 -5.446 7.112 -2.856 1.00 0.00 O ATOM 328 CB ALA A 24 -6.624 4.117 -2.450 1.00 0.00 C ATOM 0 H ALA A 24 -8.310 4.160 -4.247 1.00 0.00 H new ATOM 0 HA ALA A 24 -7.650 5.992 -2.260 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -5.904 4.335 -1.661 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -7.456 3.549 -2.035 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -6.139 3.532 -3.232 1.00 0.00 H new ATOM 334 N ASP A 25 -5.574 5.997 -4.821 1.00 0.00 N ATOM 335 CA ASP A 25 -4.469 6.725 -5.454 1.00 0.00 C ATOM 336 C ASP A 25 -4.764 8.226 -5.485 1.00 0.00 C ATOM 337 O ASP A 25 -3.903 9.041 -5.153 1.00 0.00 O ATOM 338 CB ASP A 25 -4.247 6.201 -6.889 1.00 0.00 C ATOM 339 CG ASP A 25 -3.146 6.922 -7.661 1.00 0.00 C ATOM 340 OD1 ASP A 25 -2.427 7.750 -7.063 1.00 0.00 O ATOM 341 OD2 ASP A 25 -3.003 6.651 -8.873 1.00 0.00 O ATOM 0 H ASP A 25 -6.004 5.290 -5.417 1.00 0.00 H new ATOM 0 HA ASP A 25 -3.564 6.561 -4.869 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -4.005 5.139 -6.841 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -5.181 6.290 -7.444 1.00 0.00 H new ATOM 346 N LEU A 26 -5.992 8.580 -5.861 1.00 0.00 N ATOM 347 CA LEU A 26 -6.407 9.979 -5.922 1.00 0.00 C ATOM 348 C LEU A 26 -6.197 10.671 -4.576 1.00 0.00 C ATOM 349 O LEU A 26 -5.693 11.793 -4.519 1.00 0.00 O ATOM 350 CB LEU A 26 -7.878 10.067 -6.330 1.00 0.00 C ATOM 351 CG LEU A 26 -8.337 11.437 -6.822 1.00 0.00 C ATOM 352 CD1 LEU A 26 -8.276 11.509 -8.342 1.00 0.00 C ATOM 353 CD2 LEU A 26 -9.745 11.724 -6.323 1.00 0.00 C ATOM 0 H LEU A 26 -6.718 7.915 -6.128 1.00 0.00 H new ATOM 0 HA LEU A 26 -5.794 10.487 -6.666 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -8.064 9.336 -7.116 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -8.493 9.781 -5.476 1.00 0.00 H new ATOM 0 HG LEU A 26 -7.665 12.197 -6.423 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -8.607 12.493 -8.673 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -7.251 11.340 -8.673 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -8.926 10.745 -8.769 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -10.064 12.704 -6.679 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -10.427 10.961 -6.699 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -9.754 11.713 -5.233 1.00 0.00 H new ATOM 365 N VAL A 27 -6.577 9.989 -3.496 1.00 0.00 N ATOM 366 CA VAL A 27 -6.421 10.535 -2.152 1.00 0.00 C ATOM 367 C VAL A 27 -4.944 10.584 -1.746 1.00 0.00 C ATOM 368 O VAL A 27 -4.467 11.603 -1.246 1.00 0.00 O ATOM 369 CB VAL A 27 -7.206 9.708 -1.112 1.00 0.00 C ATOM 370 CG1 VAL A 27 -7.146 10.376 0.253 1.00 0.00 C ATOM 371 CG2 VAL A 27 -8.653 9.511 -1.555 1.00 0.00 C ATOM 0 H VAL A 27 -6.994 9.059 -3.527 1.00 0.00 H new ATOM 0 HA VAL A 27 -6.823 11.548 -2.172 1.00 0.00 H new ATOM 0 HB VAL A 27 -6.741 8.725 -1.035 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -7.705 9.780 0.975 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -6.107 10.455 0.574 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -7.583 11.373 0.190 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -9.186 8.925 -0.806 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -9.135 10.482 -1.667 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -8.673 8.984 -2.509 1.00 0.00 H new ATOM 381 N ARG A 28 -4.230 9.477 -1.972 1.00 0.00 N ATOM 382 CA ARG A 28 -2.806 9.391 -1.637 1.00 0.00 C ATOM 383 C ARG A 28 -1.996 10.455 -2.384 1.00 0.00 C ATOM 384 O ARG A 28 -1.035 11.003 -1.841 1.00 0.00 O ATOM 385 CB ARG A 28 -2.260 7.998 -1.967 1.00 0.00 C ATOM 386 CG ARG A 28 -1.147 7.539 -1.036 1.00 0.00 C ATOM 387 CD ARG A 28 0.224 7.943 -1.561 1.00 0.00 C ATOM 388 NE ARG A 28 1.090 6.787 -1.808 1.00 0.00 N ATOM 389 CZ ARG A 28 2.400 6.875 -2.062 1.00 0.00 C ATOM 390 NH1 ARG A 28 3.001 8.062 -2.120 1.00 0.00 N ATOM 391 NH2 ARG A 28 3.110 5.771 -2.267 1.00 0.00 N ATOM 0 H ARG A 28 -4.615 8.628 -2.386 1.00 0.00 H new ATOM 0 HA ARG A 28 -2.707 9.570 -0.566 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -3.077 7.278 -1.924 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -1.888 7.997 -2.991 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -1.299 7.969 -0.046 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -1.190 6.456 -0.923 1.00 0.00 H new ATOM 0 HD2 ARG A 28 0.104 8.508 -2.485 1.00 0.00 H new ATOM 0 HD3 ARG A 28 0.704 8.607 -0.842 1.00 0.00 H new ATOM 0 HE ARG A 28 0.668 5.859 -1.785 1.00 0.00 H new ATOM 0 HH11 ARG A 28 2.462 8.915 -1.970 1.00 0.00 H new ATOM 0 HH12 ARG A 28 4.001 8.119 -2.314 1.00 0.00 H new ATOM 0 HH21 ARG A 28 2.656 4.858 -2.231 1.00 0.00 H new ATOM 0 HH22 ARG A 28 4.109 5.836 -2.461 1.00 0.00 H new ATOM 405 N ALA A 29 -2.394 10.742 -3.628 1.00 0.00 N ATOM 406 CA ALA A 29 -1.715 11.744 -4.455 1.00 0.00 C ATOM 407 C ALA A 29 -1.698 13.118 -3.778 1.00 0.00 C ATOM 408 O ALA A 29 -0.798 13.922 -4.020 1.00 0.00 O ATOM 409 CB ALA A 29 -2.382 11.837 -5.821 1.00 0.00 C ATOM 0 H ALA A 29 -3.187 10.292 -4.086 1.00 0.00 H new ATOM 0 HA ALA A 29 -0.680 11.425 -4.582 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -1.869 12.584 -6.426 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -2.329 10.869 -6.318 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -3.426 12.125 -5.697 1.00 0.00 H new ATOM 415 N VAL A 30 -2.692 13.380 -2.925 1.00 0.00 N ATOM 416 CA VAL A 30 -2.783 14.651 -2.206 1.00 0.00 C ATOM 417 C VAL A 30 -2.099 14.565 -0.833 1.00 0.00 C ATOM 418 O VAL A 30 -2.369 15.376 0.054 1.00 0.00 O ATOM 419 CB VAL A 30 -4.259 15.078 -2.017 1.00 0.00 C ATOM 420 CG1 VAL A 30 -4.350 16.518 -1.525 1.00 0.00 C ATOM 421 CG2 VAL A 30 -5.040 14.901 -3.313 1.00 0.00 C ATOM 0 H VAL A 30 -3.446 12.726 -2.716 1.00 0.00 H new ATOM 0 HA VAL A 30 -2.269 15.399 -2.810 1.00 0.00 H new ATOM 0 HB VAL A 30 -4.704 14.433 -1.259 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -5.397 16.794 -1.400 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -3.834 16.609 -0.569 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -3.884 17.182 -2.254 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -6.075 15.207 -3.159 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -4.593 15.516 -4.094 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -5.012 13.854 -3.615 1.00 0.00 H new ATOM 431 N ASP A 31 -1.205 13.579 -0.665 1.00 0.00 N ATOM 432 CA ASP A 31 -0.483 13.388 0.596 1.00 0.00 C ATOM 433 C ASP A 31 -1.439 12.990 1.724 1.00 0.00 C ATOM 434 O ASP A 31 -1.364 13.523 2.834 1.00 0.00 O ATOM 435 CB ASP A 31 0.286 14.662 0.979 1.00 0.00 C ATOM 436 CG ASP A 31 1.389 15.015 -0.007 1.00 0.00 C ATOM 437 OD1 ASP A 31 1.092 15.156 -1.212 1.00 0.00 O ATOM 438 OD2 ASP A 31 2.550 15.162 0.432 1.00 0.00 O ATOM 0 H ASP A 31 -0.966 12.902 -1.390 1.00 0.00 H new ATOM 0 HA ASP A 31 0.231 12.578 0.451 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -0.414 15.495 1.045 1.00 0.00 H new ATOM 0 HB3 ASP A 31 0.721 14.532 1.970 1.00 0.00 H new ATOM 443 N LEU A 32 -2.340 12.053 1.431 1.00 0.00 N ATOM 444 CA LEU A 32 -3.310 11.586 2.417 1.00 0.00 C ATOM 445 C LEU A 32 -3.295 10.062 2.522 1.00 0.00 C ATOM 446 O LEU A 32 -4.048 9.375 1.828 1.00 0.00 O ATOM 447 CB LEU A 32 -4.718 12.070 2.054 1.00 0.00 C ATOM 448 CG LEU A 32 -5.122 13.422 2.650 1.00 0.00 C ATOM 449 CD1 LEU A 32 -4.500 14.565 1.866 1.00 0.00 C ATOM 450 CD2 LEU A 32 -6.638 13.552 2.680 1.00 0.00 C ATOM 0 H LEU A 32 -2.417 11.603 0.519 1.00 0.00 H new ATOM 0 HA LEU A 32 -3.029 12.001 3.385 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -4.793 12.134 0.968 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -5.437 11.319 2.380 1.00 0.00 H new ATOM 0 HG LEU A 32 -4.749 13.474 3.673 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -4.801 15.515 2.307 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -3.414 14.478 1.896 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -4.838 14.523 0.831 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -6.912 14.517 3.106 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -7.030 13.479 1.665 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -7.060 12.753 3.290 1.00 0.00 H new ATOM 462 N SER A 33 -2.434 9.537 3.394 1.00 0.00 N ATOM 463 CA SER A 33 -2.331 8.094 3.592 1.00 0.00 C ATOM 464 C SER A 33 -2.743 7.710 5.012 1.00 0.00 C ATOM 465 O SER A 33 -2.139 8.170 5.985 1.00 0.00 O ATOM 466 CB SER A 33 -0.905 7.613 3.307 1.00 0.00 C ATOM 467 OG SER A 33 -0.901 6.279 2.822 1.00 0.00 O ATOM 0 H SER A 33 -1.800 10.089 3.972 1.00 0.00 H new ATOM 0 HA SER A 33 -3.011 7.607 2.893 1.00 0.00 H new ATOM 0 HB2 SER A 33 -0.436 8.270 2.575 1.00 0.00 H new ATOM 0 HB3 SER A 33 -0.309 7.674 4.218 1.00 0.00 H new ATOM 0 HG SER A 33 0.021 5.997 2.647 1.00 0.00 H new ATOM 473 N PRO A 34 -3.777 6.858 5.153 1.00 0.00 N ATOM 474 CA PRO A 34 -4.265 6.416 6.463 1.00 0.00 C ATOM 475 C PRO A 34 -3.382 5.334 7.091 1.00 0.00 C ATOM 476 O PRO A 34 -3.242 5.274 8.314 1.00 0.00 O ATOM 477 CB PRO A 34 -5.649 5.855 6.143 1.00 0.00 C ATOM 478 CG PRO A 34 -5.549 5.368 4.738 1.00 0.00 C ATOM 479 CD PRO A 34 -4.557 6.266 4.044 1.00 0.00 C ATOM 0 HA PRO A 34 -4.268 7.227 7.191 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -5.915 5.046 6.824 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -6.418 6.621 6.242 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -5.218 4.330 4.710 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -6.520 5.407 4.244 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -3.919 5.704 3.362 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -5.058 7.033 3.453 1.00 0.00 H new ATOM 487 N HIS A 35 -2.793 4.480 6.250 1.00 0.00 N ATOM 488 CA HIS A 35 -1.927 3.401 6.727 1.00 0.00 C ATOM 489 C HIS A 35 -0.531 3.921 7.063 1.00 0.00 C ATOM 490 O HIS A 35 0.051 3.537 8.080 1.00 0.00 O ATOM 491 CB HIS A 35 -1.831 2.288 5.680 1.00 0.00 C ATOM 492 CG HIS A 35 -3.121 1.558 5.469 1.00 0.00 C ATOM 493 ND1 HIS A 35 -3.466 0.419 6.165 1.00 0.00 N ATOM 494 CD2 HIS A 35 -4.158 1.814 4.634 1.00 0.00 C ATOM 495 CE1 HIS A 35 -4.656 0.008 5.772 1.00 0.00 C ATOM 496 NE2 HIS A 35 -5.099 0.836 4.845 1.00 0.00 N ATOM 0 H HIS A 35 -2.900 4.515 5.236 1.00 0.00 H new ATOM 0 HA HIS A 35 -2.371 2.997 7.637 1.00 0.00 H new ATOM 0 HB2 HIS A 35 -1.506 2.718 4.732 1.00 0.00 H new ATOM 0 HB3 HIS A 35 -1.065 1.576 5.987 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -4.231 2.633 3.934 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -5.179 -0.860 6.146 1.00 0.00 H new ATOM 0 HE2 HIS A 35 -5.995 0.762 4.363 1.00 0.00 H new ATOM 505 N GLU A 36 -0.001 4.797 6.201 1.00 0.00 N ATOM 506 CA GLU A 36 1.327 5.378 6.394 1.00 0.00 C ATOM 507 C GLU A 36 2.370 4.294 6.678 1.00 0.00 C ATOM 508 O GLU A 36 3.047 4.317 7.709 1.00 0.00 O ATOM 509 CB GLU A 36 1.298 6.406 7.530 1.00 0.00 C ATOM 510 CG GLU A 36 2.219 7.594 7.298 1.00 0.00 C ATOM 511 CD GLU A 36 2.923 8.053 8.561 1.00 0.00 C ATOM 512 OE1 GLU A 36 3.642 7.234 9.172 1.00 0.00 O ATOM 513 OE2 GLU A 36 2.758 9.233 8.935 1.00 0.00 O ATOM 0 H GLU A 36 -0.478 5.119 5.359 1.00 0.00 H new ATOM 0 HA GLU A 36 1.612 5.883 5.471 1.00 0.00 H new ATOM 0 HB2 GLU A 36 0.277 6.767 7.656 1.00 0.00 H new ATOM 0 HB3 GLU A 36 1.580 5.915 8.461 1.00 0.00 H new ATOM 0 HG2 GLU A 36 2.965 7.328 6.549 1.00 0.00 H new ATOM 0 HG3 GLU A 36 1.639 8.422 6.890 1.00 0.00 H new ATOM 520 N VAL A 37 2.493 3.343 5.751 1.00 0.00 N ATOM 521 CA VAL A 37 3.451 2.249 5.897 1.00 0.00 C ATOM 522 C VAL A 37 4.403 2.188 4.704 1.00 0.00 C ATOM 523 O VAL A 37 4.048 2.597 3.596 1.00 0.00 O ATOM 524 CB VAL A 37 2.739 0.885 6.045 1.00 0.00 C ATOM 525 CG1 VAL A 37 2.084 0.762 7.414 1.00 0.00 C ATOM 526 CG2 VAL A 37 1.714 0.692 4.938 1.00 0.00 C ATOM 0 H VAL A 37 1.942 3.309 4.893 1.00 0.00 H new ATOM 0 HA VAL A 37 4.021 2.450 6.804 1.00 0.00 H new ATOM 0 HB VAL A 37 3.489 0.099 5.957 1.00 0.00 H new ATOM 0 HG11 VAL A 37 1.589 -0.206 7.495 1.00 0.00 H new ATOM 0 HG12 VAL A 37 2.845 0.847 8.190 1.00 0.00 H new ATOM 0 HG13 VAL A 37 1.349 1.557 7.538 1.00 0.00 H new ATOM 0 HG21 VAL A 37 1.224 -0.274 5.060 1.00 0.00 H new ATOM 0 HG22 VAL A 37 0.969 1.486 4.990 1.00 0.00 H new ATOM 0 HG23 VAL A 37 2.213 0.726 3.970 1.00 0.00 H new ATOM 536 N THR A 38 5.611 1.676 4.939 1.00 0.00 N ATOM 537 CA THR A 38 6.618 1.558 3.884 1.00 0.00 C ATOM 538 C THR A 38 6.418 0.268 3.088 1.00 0.00 C ATOM 539 O THR A 38 6.207 -0.799 3.663 1.00 0.00 O ATOM 540 CB THR A 38 8.031 1.608 4.484 1.00 0.00 C ATOM 541 OG1 THR A 38 9.012 1.506 3.465 1.00 0.00 O ATOM 542 CG2 THR A 38 8.304 0.513 5.496 1.00 0.00 C ATOM 0 H THR A 38 5.916 1.336 5.851 1.00 0.00 H new ATOM 0 HA THR A 38 6.502 2.401 3.202 1.00 0.00 H new ATOM 0 HB THR A 38 8.087 2.568 4.997 1.00 0.00 H new ATOM 0 HG1 THR A 38 9.905 1.541 3.866 1.00 0.00 H new ATOM 0 HG21 THR A 38 9.321 0.614 5.875 1.00 0.00 H new ATOM 0 HG22 THR A 38 7.598 0.597 6.322 1.00 0.00 H new ATOM 0 HG23 THR A 38 8.189 -0.460 5.019 1.00 0.00 H new ATOM 550 N VAL A 39 6.476 0.380 1.760 1.00 0.00 N ATOM 551 CA VAL A 39 6.292 -0.775 0.882 1.00 0.00 C ATOM 552 C VAL A 39 7.613 -1.241 0.267 1.00 0.00 C ATOM 553 O VAL A 39 8.388 -0.436 -0.255 1.00 0.00 O ATOM 554 CB VAL A 39 5.282 -0.467 -0.249 1.00 0.00 C ATOM 555 CG1 VAL A 39 3.900 -0.198 0.330 1.00 0.00 C ATOM 556 CG2 VAL A 39 5.752 0.709 -1.098 1.00 0.00 C ATOM 0 H VAL A 39 6.649 1.258 1.270 1.00 0.00 H new ATOM 0 HA VAL A 39 5.898 -1.577 1.506 1.00 0.00 H new ATOM 0 HB VAL A 39 5.220 -1.342 -0.896 1.00 0.00 H new ATOM 0 HG11 VAL A 39 3.202 0.017 -0.479 1.00 0.00 H new ATOM 0 HG12 VAL A 39 3.559 -1.075 0.880 1.00 0.00 H new ATOM 0 HG13 VAL A 39 3.948 0.657 1.004 1.00 0.00 H new ATOM 0 HG21 VAL A 39 5.024 0.904 -1.885 1.00 0.00 H new ATOM 0 HG22 VAL A 39 5.853 1.594 -0.470 1.00 0.00 H new ATOM 0 HG23 VAL A 39 6.716 0.471 -1.547 1.00 0.00 H new ATOM 566 N LEU A 40 7.862 -2.552 0.329 1.00 0.00 N ATOM 567 CA LEU A 40 9.083 -3.137 -0.224 1.00 0.00 C ATOM 568 C LEU A 40 8.816 -3.796 -1.575 1.00 0.00 C ATOM 569 O LEU A 40 7.714 -4.281 -1.833 1.00 0.00 O ATOM 570 CB LEU A 40 9.655 -4.181 0.739 1.00 0.00 C ATOM 571 CG LEU A 40 10.601 -3.634 1.807 1.00 0.00 C ATOM 572 CD1 LEU A 40 10.993 -4.733 2.782 1.00 0.00 C ATOM 573 CD2 LEU A 40 11.838 -3.019 1.165 1.00 0.00 C ATOM 0 H LEU A 40 7.231 -3.229 0.758 1.00 0.00 H new ATOM 0 HA LEU A 40 9.803 -2.330 -0.362 1.00 0.00 H new ATOM 0 HB2 LEU A 40 8.826 -4.686 1.235 1.00 0.00 H new ATOM 0 HB3 LEU A 40 10.186 -4.935 0.158 1.00 0.00 H new ATOM 0 HG LEU A 40 10.081 -2.852 2.360 1.00 0.00 H new ATOM 0 HD11 LEU A 40 11.667 -4.327 3.536 1.00 0.00 H new ATOM 0 HD12 LEU A 40 10.099 -5.125 3.267 1.00 0.00 H new ATOM 0 HD13 LEU A 40 11.494 -5.536 2.242 1.00 0.00 H new ATOM 0 HD21 LEU A 40 12.499 -2.635 1.942 1.00 0.00 H new ATOM 0 HD22 LEU A 40 12.363 -3.778 0.585 1.00 0.00 H new ATOM 0 HD23 LEU A 40 11.539 -2.203 0.508 1.00 0.00 H new ATOM 585 N VAL A 41 9.841 -3.833 -2.424 1.00 0.00 N ATOM 586 CA VAL A 41 9.738 -4.449 -3.733 1.00 0.00 C ATOM 587 C VAL A 41 10.787 -5.544 -3.854 1.00 0.00 C ATOM 588 O VAL A 41 11.922 -5.368 -3.408 1.00 0.00 O ATOM 589 CB VAL A 41 9.944 -3.416 -4.865 1.00 0.00 C ATOM 590 CG1 VAL A 41 9.672 -4.037 -6.227 1.00 0.00 C ATOM 591 CG2 VAL A 41 9.061 -2.195 -4.648 1.00 0.00 C ATOM 0 H VAL A 41 10.759 -3.438 -2.220 1.00 0.00 H new ATOM 0 HA VAL A 41 8.736 -4.867 -3.835 1.00 0.00 H new ATOM 0 HB VAL A 41 10.986 -3.096 -4.841 1.00 0.00 H new ATOM 0 HG11 VAL A 41 9.824 -3.289 -7.005 1.00 0.00 H new ATOM 0 HG12 VAL A 41 10.353 -4.872 -6.389 1.00 0.00 H new ATOM 0 HG13 VAL A 41 8.643 -4.395 -6.265 1.00 0.00 H new ATOM 0 HG21 VAL A 41 9.222 -1.481 -5.456 1.00 0.00 H new ATOM 0 HG22 VAL A 41 8.015 -2.500 -4.637 1.00 0.00 H new ATOM 0 HG23 VAL A 41 9.313 -1.728 -3.696 1.00 0.00 H new ATOM 601 N ASP A 42 10.411 -6.669 -4.456 1.00 0.00 N ATOM 602 CA ASP A 42 11.333 -7.785 -4.634 1.00 0.00 C ATOM 603 C ASP A 42 12.655 -7.273 -5.189 1.00 0.00 C ATOM 604 O ASP A 42 12.660 -6.607 -6.221 1.00 0.00 O ATOM 605 CB ASP A 42 10.731 -8.811 -5.590 1.00 0.00 C ATOM 606 CG ASP A 42 11.642 -9.999 -5.821 1.00 0.00 C ATOM 607 OD1 ASP A 42 11.566 -10.966 -5.037 1.00 0.00 O ATOM 608 OD2 ASP A 42 12.438 -9.956 -6.782 1.00 0.00 O ATOM 0 H ASP A 42 9.475 -6.831 -4.828 1.00 0.00 H new ATOM 0 HA ASP A 42 11.509 -8.261 -3.669 1.00 0.00 H new ATOM 0 HB2 ASP A 42 9.779 -9.160 -5.189 1.00 0.00 H new ATOM 0 HB3 ASP A 42 10.518 -8.331 -6.545 1.00 0.00 H new ATOM 613 N GLY A 43 13.751 -7.568 -4.478 1.00 0.00 N ATOM 614 CA GLY A 43 15.088 -7.123 -4.873 1.00 0.00 C ATOM 615 C GLY A 43 15.344 -7.144 -6.374 1.00 0.00 C ATOM 616 O GLY A 43 15.968 -8.074 -6.892 1.00 0.00 O ATOM 0 H GLY A 43 13.734 -8.118 -3.619 1.00 0.00 H new ATOM 0 HA2 GLY A 43 15.243 -6.109 -4.505 1.00 0.00 H new ATOM 0 HA3 GLY A 43 15.827 -7.756 -4.382 1.00 0.00 H new ATOM 620 N ARG A 44 14.859 -6.115 -7.067 1.00 0.00 N ATOM 621 CA ARG A 44 15.030 -6.001 -8.516 1.00 0.00 C ATOM 622 C ARG A 44 15.533 -4.610 -8.898 1.00 0.00 C ATOM 623 O ARG A 44 14.934 -3.603 -8.520 1.00 0.00 O ATOM 624 CB ARG A 44 13.707 -6.286 -9.230 1.00 0.00 C ATOM 625 CG ARG A 44 13.498 -7.754 -9.564 1.00 0.00 C ATOM 626 CD ARG A 44 12.299 -7.955 -10.478 1.00 0.00 C ATOM 627 NE ARG A 44 11.247 -8.748 -9.839 1.00 0.00 N ATOM 628 CZ ARG A 44 11.305 -10.075 -9.676 1.00 0.00 C ATOM 629 NH1 ARG A 44 12.365 -10.762 -10.094 1.00 0.00 N ATOM 630 NH2 ARG A 44 10.298 -10.717 -9.089 1.00 0.00 N ATOM 0 H ARG A 44 14.341 -5.344 -6.646 1.00 0.00 H new ATOM 0 HA ARG A 44 15.772 -6.736 -8.827 1.00 0.00 H new ATOM 0 HB2 ARG A 44 12.884 -5.945 -8.602 1.00 0.00 H new ATOM 0 HB3 ARG A 44 13.668 -5.704 -10.151 1.00 0.00 H new ATOM 0 HG2 ARG A 44 14.393 -8.149 -10.045 1.00 0.00 H new ATOM 0 HG3 ARG A 44 13.354 -8.320 -8.644 1.00 0.00 H new ATOM 0 HD2 ARG A 44 11.896 -6.984 -10.766 1.00 0.00 H new ATOM 0 HD3 ARG A 44 12.621 -8.451 -11.394 1.00 0.00 H new ATOM 0 HE ARG A 44 10.420 -8.259 -9.497 1.00 0.00 H new ATOM 0 HH11 ARG A 44 13.142 -10.277 -10.543 1.00 0.00 H new ATOM 0 HH12 ARG A 44 12.400 -11.773 -9.965 1.00 0.00 H new ATOM 0 HH21 ARG A 44 9.483 -10.198 -8.764 1.00 0.00 H new ATOM 0 HH22 ARG A 44 10.341 -11.728 -8.964 1.00 0.00 H new ATOM 644 N PRO A 45 16.648 -4.535 -9.656 1.00 0.00 N ATOM 645 CA PRO A 45 17.228 -3.259 -10.086 1.00 0.00 C ATOM 646 C PRO A 45 16.437 -2.603 -11.221 1.00 0.00 C ATOM 647 O PRO A 45 16.222 -1.391 -11.214 1.00 0.00 O ATOM 648 CB PRO A 45 18.631 -3.651 -10.555 1.00 0.00 C ATOM 649 CG PRO A 45 18.502 -5.066 -11.004 1.00 0.00 C ATOM 650 CD PRO A 45 17.429 -5.692 -10.148 1.00 0.00 C ATOM 0 HA PRO A 45 17.223 -2.519 -9.286 1.00 0.00 H new ATOM 0 HB2 PRO A 45 18.970 -3.008 -11.367 1.00 0.00 H new ATOM 0 HB3 PRO A 45 19.358 -3.557 -9.749 1.00 0.00 H new ATOM 0 HG2 PRO A 45 18.234 -5.115 -12.059 1.00 0.00 H new ATOM 0 HG3 PRO A 45 19.447 -5.597 -10.890 1.00 0.00 H new ATOM 0 HD2 PRO A 45 16.808 -6.378 -10.724 1.00 0.00 H new ATOM 0 HD3 PRO A 45 17.857 -6.264 -9.325 1.00 0.00 H new ATOM 658 N VAL A 46 16.002 -3.413 -12.188 1.00 0.00 N ATOM 659 CA VAL A 46 15.233 -2.917 -13.325 1.00 0.00 C ATOM 660 C VAL A 46 14.127 -3.905 -13.695 1.00 0.00 C ATOM 661 O VAL A 46 14.404 -4.986 -14.218 1.00 0.00 O ATOM 662 CB VAL A 46 16.128 -2.667 -14.562 1.00 0.00 C ATOM 663 CG1 VAL A 46 17.012 -1.448 -14.345 1.00 0.00 C ATOM 664 CG2 VAL A 46 16.974 -3.895 -14.881 1.00 0.00 C ATOM 0 H VAL A 46 16.171 -4.419 -12.204 1.00 0.00 H new ATOM 0 HA VAL A 46 14.793 -1.967 -13.022 1.00 0.00 H new ATOM 0 HB VAL A 46 15.479 -2.474 -15.416 1.00 0.00 H new ATOM 0 HG11 VAL A 46 17.634 -1.288 -15.226 1.00 0.00 H new ATOM 0 HG12 VAL A 46 16.387 -0.571 -14.178 1.00 0.00 H new ATOM 0 HG13 VAL A 46 17.649 -1.611 -13.476 1.00 0.00 H new ATOM 0 HG21 VAL A 46 17.594 -3.693 -15.755 1.00 0.00 H new ATOM 0 HG22 VAL A 46 17.613 -4.128 -14.029 1.00 0.00 H new ATOM 0 HG23 VAL A 46 16.321 -4.743 -15.088 1.00 0.00 H new ATOM 674 N PRO A 47 12.855 -3.553 -13.416 1.00 0.00 N ATOM 675 CA PRO A 47 11.702 -4.416 -13.716 1.00 0.00 C ATOM 676 C PRO A 47 11.552 -4.671 -15.217 1.00 0.00 C ATOM 677 O PRO A 47 10.742 -4.030 -15.892 1.00 0.00 O ATOM 678 CB PRO A 47 10.499 -3.625 -13.174 1.00 0.00 C ATOM 679 CG PRO A 47 11.083 -2.636 -12.224 1.00 0.00 C ATOM 680 CD PRO A 47 12.435 -2.293 -12.776 1.00 0.00 C ATOM 0 HA PRO A 47 11.804 -5.404 -13.267 1.00 0.00 H new ATOM 0 HB2 PRO A 47 9.959 -3.127 -13.979 1.00 0.00 H new ATOM 0 HB3 PRO A 47 9.788 -4.282 -12.672 1.00 0.00 H new ATOM 0 HG2 PRO A 47 10.455 -1.749 -12.147 1.00 0.00 H new ATOM 0 HG3 PRO A 47 11.164 -3.057 -11.222 1.00 0.00 H new ATOM 0 HD2 PRO A 47 12.383 -1.473 -13.492 1.00 0.00 H new ATOM 0 HD3 PRO A 47 13.127 -1.988 -11.991 1.00 0.00 H new ATOM 688 N GLU A 48 12.340 -5.614 -15.735 1.00 0.00 N ATOM 689 CA GLU A 48 12.300 -5.961 -17.155 1.00 0.00 C ATOM 690 C GLU A 48 10.977 -6.641 -17.527 1.00 0.00 C ATOM 691 O GLU A 48 10.618 -6.708 -18.705 1.00 0.00 O ATOM 692 CB GLU A 48 13.481 -6.873 -17.511 1.00 0.00 C ATOM 693 CG GLU A 48 13.456 -8.217 -16.795 1.00 0.00 C ATOM 694 CD GLU A 48 13.527 -9.400 -17.744 1.00 0.00 C ATOM 695 OE1 GLU A 48 12.829 -9.379 -18.781 1.00 0.00 O ATOM 696 OE2 GLU A 48 14.280 -10.352 -17.448 1.00 0.00 O ATOM 0 H GLU A 48 13.015 -6.152 -15.191 1.00 0.00 H new ATOM 0 HA GLU A 48 12.376 -5.037 -17.728 1.00 0.00 H new ATOM 0 HB2 GLU A 48 13.484 -7.045 -18.587 1.00 0.00 H new ATOM 0 HB3 GLU A 48 14.411 -6.359 -17.268 1.00 0.00 H new ATOM 0 HG2 GLU A 48 14.293 -8.267 -16.099 1.00 0.00 H new ATOM 0 HG3 GLU A 48 12.544 -8.289 -16.202 1.00 0.00 H new ATOM 703 N ASP A 49 10.255 -7.140 -16.517 1.00 0.00 N ATOM 704 CA ASP A 49 8.973 -7.811 -16.732 1.00 0.00 C ATOM 705 C ASP A 49 7.800 -6.820 -16.757 1.00 0.00 C ATOM 706 O ASP A 49 6.645 -7.219 -16.585 1.00 0.00 O ATOM 707 CB ASP A 49 8.742 -8.863 -15.638 1.00 0.00 C ATOM 708 CG ASP A 49 8.821 -8.283 -14.235 1.00 0.00 C ATOM 709 OD1 ASP A 49 9.948 -8.016 -13.762 1.00 0.00 O ATOM 710 OD2 ASP A 49 7.757 -8.097 -13.608 1.00 0.00 O ATOM 0 H ASP A 49 10.541 -7.090 -15.539 1.00 0.00 H new ATOM 0 HA ASP A 49 9.017 -8.295 -17.707 1.00 0.00 H new ATOM 0 HB2 ASP A 49 7.763 -9.321 -15.782 1.00 0.00 H new ATOM 0 HB3 ASP A 49 9.483 -9.656 -15.741 1.00 0.00 H new ATOM 715 N GLN A 50 8.095 -5.531 -16.979 1.00 0.00 N ATOM 716 CA GLN A 50 7.063 -4.496 -17.033 1.00 0.00 C ATOM 717 C GLN A 50 6.357 -4.342 -15.678 1.00 0.00 C ATOM 718 O GLN A 50 6.803 -4.890 -14.669 1.00 0.00 O ATOM 719 CB GLN A 50 6.047 -4.817 -18.138 1.00 0.00 C ATOM 720 CG GLN A 50 5.599 -3.596 -18.930 1.00 0.00 C ATOM 721 CD GLN A 50 6.147 -3.580 -20.344 1.00 0.00 C ATOM 722 OE1 GLN A 50 5.417 -3.802 -21.307 1.00 0.00 O ATOM 723 NE2 GLN A 50 7.444 -3.318 -20.477 1.00 0.00 N ATOM 0 H GLN A 50 9.043 -5.184 -17.124 1.00 0.00 H new ATOM 0 HA GLN A 50 7.547 -3.547 -17.265 1.00 0.00 H new ATOM 0 HB2 GLN A 50 6.485 -5.543 -18.823 1.00 0.00 H new ATOM 0 HB3 GLN A 50 5.173 -5.289 -17.690 1.00 0.00 H new ATOM 0 HG2 GLN A 50 4.510 -3.572 -18.967 1.00 0.00 H new ATOM 0 HG3 GLN A 50 5.920 -2.693 -18.410 1.00 0.00 H new ATOM 0 HE21 GLN A 50 8.015 -3.139 -19.651 1.00 0.00 H new ATOM 0 HE22 GLN A 50 7.867 -3.296 -21.405 1.00 0.00 H new ATOM 732 N SER A 51 5.259 -3.582 -15.665 1.00 0.00 N ATOM 733 CA SER A 51 4.497 -3.347 -14.441 1.00 0.00 C ATOM 734 C SER A 51 3.042 -3.786 -14.607 1.00 0.00 C ATOM 735 O SER A 51 2.576 -4.010 -15.725 1.00 0.00 O ATOM 736 CB SER A 51 4.557 -1.865 -14.060 1.00 0.00 C ATOM 737 OG SER A 51 5.689 -1.589 -13.251 1.00 0.00 O ATOM 0 H SER A 51 4.879 -3.119 -16.491 1.00 0.00 H new ATOM 0 HA SER A 51 4.944 -3.941 -13.644 1.00 0.00 H new ATOM 0 HB2 SER A 51 4.595 -1.256 -14.963 1.00 0.00 H new ATOM 0 HB3 SER A 51 3.648 -1.587 -13.526 1.00 0.00 H new ATOM 0 HG SER A 51 5.704 -0.636 -13.024 1.00 0.00 H new ATOM 743 N VAL A 52 2.334 -3.909 -13.484 1.00 0.00 N ATOM 744 CA VAL A 52 0.933 -4.324 -13.496 1.00 0.00 C ATOM 745 C VAL A 52 0.067 -3.372 -12.671 1.00 0.00 C ATOM 746 O VAL A 52 0.575 -2.648 -11.811 1.00 0.00 O ATOM 747 CB VAL A 52 0.773 -5.764 -12.944 1.00 0.00 C ATOM 748 CG1 VAL A 52 -0.619 -6.308 -13.235 1.00 0.00 C ATOM 749 CG2 VAL A 52 1.841 -6.684 -13.526 1.00 0.00 C ATOM 0 H VAL A 52 2.710 -3.727 -12.553 1.00 0.00 H new ATOM 0 HA VAL A 52 0.601 -4.299 -14.534 1.00 0.00 H new ATOM 0 HB VAL A 52 0.902 -5.727 -11.862 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -0.705 -7.319 -12.837 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -1.365 -5.668 -12.764 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -0.785 -6.326 -14.312 1.00 0.00 H new ATOM 0 HG21 VAL A 52 1.712 -7.690 -13.126 1.00 0.00 H new ATOM 0 HG22 VAL A 52 1.747 -6.710 -14.612 1.00 0.00 H new ATOM 0 HG23 VAL A 52 2.829 -6.311 -13.256 1.00 0.00 H new ATOM 759 N GLU A 53 -1.246 -3.380 -12.940 1.00 0.00 N ATOM 760 CA GLU A 53 -2.194 -2.521 -12.224 1.00 0.00 C ATOM 761 C GLU A 53 -1.973 -2.592 -10.714 1.00 0.00 C ATOM 762 O GLU A 53 -2.041 -1.579 -10.022 1.00 0.00 O ATOM 763 CB GLU A 53 -3.642 -2.909 -12.563 1.00 0.00 C ATOM 764 CG GLU A 53 -3.981 -4.372 -12.291 1.00 0.00 C ATOM 765 CD GLU A 53 -4.840 -5.000 -13.378 1.00 0.00 C ATOM 766 OE1 GLU A 53 -5.846 -4.378 -13.779 1.00 0.00 O ATOM 767 OE2 GLU A 53 -4.506 -6.118 -13.824 1.00 0.00 O ATOM 0 H GLU A 53 -1.674 -3.974 -13.650 1.00 0.00 H new ATOM 0 HA GLU A 53 -2.019 -1.495 -12.548 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -4.319 -2.278 -11.987 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -3.826 -2.695 -13.616 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -3.056 -4.941 -12.194 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -4.502 -4.446 -11.337 1.00 0.00 H new ATOM 774 N VAL A 54 -1.693 -3.795 -10.211 1.00 0.00 N ATOM 775 CA VAL A 54 -1.448 -3.995 -8.788 1.00 0.00 C ATOM 776 C VAL A 54 -0.088 -4.655 -8.569 1.00 0.00 C ATOM 777 O VAL A 54 0.475 -5.256 -9.489 1.00 0.00 O ATOM 778 CB VAL A 54 -2.543 -4.877 -8.143 1.00 0.00 C ATOM 779 CG1 VAL A 54 -2.529 -4.739 -6.626 1.00 0.00 C ATOM 780 CG2 VAL A 54 -3.921 -4.537 -8.699 1.00 0.00 C ATOM 0 H VAL A 54 -1.631 -4.645 -10.772 1.00 0.00 H new ATOM 0 HA VAL A 54 -1.464 -3.013 -8.316 1.00 0.00 H new ATOM 0 HB VAL A 54 -2.324 -5.915 -8.394 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -3.308 -5.369 -6.196 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -1.558 -5.050 -6.241 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -2.711 -3.699 -6.354 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -4.671 -5.173 -8.227 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -4.149 -3.492 -8.492 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -3.930 -4.703 -9.776 1.00 0.00 H new ATOM 790 N ASP A 55 0.434 -4.552 -7.346 1.00 0.00 N ATOM 791 CA ASP A 55 1.722 -5.146 -7.007 1.00 0.00 C ATOM 792 C ASP A 55 1.764 -5.560 -5.540 1.00 0.00 C ATOM 793 O ASP A 55 1.171 -4.901 -4.682 1.00 0.00 O ATOM 794 CB ASP A 55 2.859 -4.168 -7.309 1.00 0.00 C ATOM 795 CG ASP A 55 4.099 -4.870 -7.829 1.00 0.00 C ATOM 796 OD1 ASP A 55 4.151 -5.160 -9.043 1.00 0.00 O ATOM 797 OD2 ASP A 55 5.015 -5.133 -7.022 1.00 0.00 O ATOM 0 H ASP A 55 -0.018 -4.061 -6.575 1.00 0.00 H new ATOM 0 HA ASP A 55 1.851 -6.038 -7.620 1.00 0.00 H new ATOM 0 HB2 ASP A 55 2.522 -3.438 -8.045 1.00 0.00 H new ATOM 0 HB3 ASP A 55 3.110 -3.615 -6.404 1.00 0.00 H new ATOM 802 N ARG A 56 2.474 -6.653 -5.253 1.00 0.00 N ATOM 803 CA ARG A 56 2.602 -7.146 -3.887 1.00 0.00 C ATOM 804 C ARG A 56 3.889 -6.623 -3.256 1.00 0.00 C ATOM 805 O ARG A 56 4.978 -6.801 -3.806 1.00 0.00 O ATOM 806 CB ARG A 56 2.586 -8.677 -3.857 1.00 0.00 C ATOM 807 CG ARG A 56 2.082 -9.248 -2.542 1.00 0.00 C ATOM 808 CD ARG A 56 1.574 -10.672 -2.705 1.00 0.00 C ATOM 809 NE ARG A 56 0.923 -11.163 -1.489 1.00 0.00 N ATOM 810 CZ ARG A 56 1.582 -11.540 -0.388 1.00 0.00 C ATOM 811 NH1 ARG A 56 2.913 -11.486 -0.343 1.00 0.00 N ATOM 812 NH2 ARG A 56 0.907 -11.973 0.672 1.00 0.00 N ATOM 0 H ARG A 56 2.967 -7.211 -5.950 1.00 0.00 H new ATOM 0 HA ARG A 56 1.751 -6.782 -3.312 1.00 0.00 H new ATOM 0 HB2 ARG A 56 1.957 -9.043 -4.669 1.00 0.00 H new ATOM 0 HB3 ARG A 56 3.594 -9.048 -4.043 1.00 0.00 H new ATOM 0 HG2 ARG A 56 2.886 -9.230 -1.806 1.00 0.00 H new ATOM 0 HG3 ARG A 56 1.281 -8.618 -2.155 1.00 0.00 H new ATOM 0 HD2 ARG A 56 0.869 -10.713 -3.536 1.00 0.00 H new ATOM 0 HD3 ARG A 56 2.407 -11.327 -2.961 1.00 0.00 H new ATOM 0 HE ARG A 56 -0.095 -11.221 -1.481 1.00 0.00 H new ATOM 0 HH11 ARG A 56 3.438 -11.155 -1.153 1.00 0.00 H new ATOM 0 HH12 ARG A 56 3.407 -11.776 0.501 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -0.112 -12.017 0.645 1.00 0.00 H new ATOM 0 HH22 ARG A 56 1.408 -12.261 1.513 1.00 0.00 H new ATOM 826 N VAL A 57 3.752 -5.972 -2.106 1.00 0.00 N ATOM 827 CA VAL A 57 4.898 -5.404 -1.399 1.00 0.00 C ATOM 828 C VAL A 57 4.902 -5.801 0.079 1.00 0.00 C ATOM 829 O VAL A 57 3.906 -6.309 0.598 1.00 0.00 O ATOM 830 CB VAL A 57 4.904 -3.862 -1.515 1.00 0.00 C ATOM 831 CG1 VAL A 57 5.128 -3.429 -2.958 1.00 0.00 C ATOM 832 CG2 VAL A 57 3.607 -3.275 -0.976 1.00 0.00 C ATOM 0 H VAL A 57 2.856 -5.823 -1.641 1.00 0.00 H new ATOM 0 HA VAL A 57 5.795 -5.807 -1.869 1.00 0.00 H new ATOM 0 HB VAL A 57 5.728 -3.481 -0.912 1.00 0.00 H new ATOM 0 HG11 VAL A 57 5.128 -2.341 -3.015 1.00 0.00 H new ATOM 0 HG12 VAL A 57 6.087 -3.811 -3.308 1.00 0.00 H new ATOM 0 HG13 VAL A 57 4.329 -3.825 -3.585 1.00 0.00 H new ATOM 0 HG21 VAL A 57 3.633 -2.189 -1.068 1.00 0.00 H new ATOM 0 HG22 VAL A 57 2.765 -3.667 -1.547 1.00 0.00 H new ATOM 0 HG23 VAL A 57 3.492 -3.548 0.073 1.00 0.00 H new ATOM 842 N LYS A 58 6.028 -5.564 0.754 1.00 0.00 N ATOM 843 CA LYS A 58 6.159 -5.891 2.176 1.00 0.00 C ATOM 844 C LYS A 58 6.071 -4.626 3.028 1.00 0.00 C ATOM 845 O LYS A 58 6.616 -3.584 2.657 1.00 0.00 O ATOM 846 CB LYS A 58 7.487 -6.610 2.457 1.00 0.00 C ATOM 847 CG LYS A 58 7.944 -7.534 1.338 1.00 0.00 C ATOM 848 CD LYS A 58 8.468 -8.854 1.885 1.00 0.00 C ATOM 849 CE LYS A 58 7.955 -10.038 1.080 1.00 0.00 C ATOM 850 NZ LYS A 58 8.146 -11.329 1.801 1.00 0.00 N ATOM 0 H LYS A 58 6.862 -5.147 0.340 1.00 0.00 H new ATOM 0 HA LYS A 58 5.338 -6.558 2.439 1.00 0.00 H new ATOM 0 HB2 LYS A 58 8.261 -5.863 2.636 1.00 0.00 H new ATOM 0 HB3 LYS A 58 7.386 -7.190 3.374 1.00 0.00 H new ATOM 0 HG2 LYS A 58 7.113 -7.724 0.659 1.00 0.00 H new ATOM 0 HG3 LYS A 58 8.725 -7.044 0.756 1.00 0.00 H new ATOM 0 HD2 LYS A 58 9.558 -8.848 1.869 1.00 0.00 H new ATOM 0 HD3 LYS A 58 8.165 -8.963 2.926 1.00 0.00 H new ATOM 0 HE2 LYS A 58 6.896 -9.897 0.863 1.00 0.00 H new ATOM 0 HE3 LYS A 58 8.474 -10.077 0.122 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 7.783 -12.110 1.217 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 9.159 -11.477 1.986 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 7.630 -11.302 2.703 1.00 0.00 H new ATOM 864 N VAL A 59 5.388 -4.721 4.169 1.00 0.00 N ATOM 865 CA VAL A 59 5.236 -3.578 5.073 1.00 0.00 C ATOM 866 C VAL A 59 5.974 -3.809 6.389 1.00 0.00 C ATOM 867 O VAL A 59 5.976 -4.921 6.924 1.00 0.00 O ATOM 868 CB VAL A 59 3.751 -3.265 5.375 1.00 0.00 C ATOM 869 CG1 VAL A 59 3.130 -2.469 4.237 1.00 0.00 C ATOM 870 CG2 VAL A 59 2.963 -4.541 5.636 1.00 0.00 C ATOM 0 H VAL A 59 4.932 -5.575 4.490 1.00 0.00 H new ATOM 0 HA VAL A 59 5.673 -2.723 4.557 1.00 0.00 H new ATOM 0 HB VAL A 59 3.711 -2.659 6.280 1.00 0.00 H new ATOM 0 HG11 VAL A 59 2.086 -2.259 4.468 1.00 0.00 H new ATOM 0 HG12 VAL A 59 3.670 -1.531 4.112 1.00 0.00 H new ATOM 0 HG13 VAL A 59 3.188 -3.047 3.315 1.00 0.00 H new ATOM 0 HG21 VAL A 59 1.923 -4.290 5.845 1.00 0.00 H new ATOM 0 HG22 VAL A 59 3.011 -5.185 4.758 1.00 0.00 H new ATOM 0 HG23 VAL A 59 3.390 -5.063 6.492 1.00 0.00 H new ATOM 880 N LEU A 60 6.599 -2.751 6.905 1.00 0.00 N ATOM 881 CA LEU A 60 7.344 -2.834 8.159 1.00 0.00 C ATOM 882 C LEU A 60 6.601 -2.122 9.288 1.00 0.00 C ATOM 883 O LEU A 60 6.165 -0.980 9.133 1.00 0.00 O ATOM 884 CB LEU A 60 8.742 -2.229 7.993 1.00 0.00 C ATOM 885 CG LEU A 60 9.721 -2.525 9.133 1.00 0.00 C ATOM 886 CD1 LEU A 60 10.081 -4.004 9.163 1.00 0.00 C ATOM 887 CD2 LEU A 60 10.974 -1.672 8.997 1.00 0.00 C ATOM 0 H LEU A 60 6.604 -1.827 6.473 1.00 0.00 H new ATOM 0 HA LEU A 60 7.440 -3.888 8.420 1.00 0.00 H new ATOM 0 HB2 LEU A 60 9.172 -2.598 7.062 1.00 0.00 H new ATOM 0 HB3 LEU A 60 8.643 -1.148 7.892 1.00 0.00 H new ATOM 0 HG LEU A 60 9.234 -2.273 10.075 1.00 0.00 H new ATOM 0 HD11 LEU A 60 10.777 -4.192 9.980 1.00 0.00 H new ATOM 0 HD12 LEU A 60 9.178 -4.595 9.312 1.00 0.00 H new ATOM 0 HD13 LEU A 60 10.546 -4.284 8.218 1.00 0.00 H new ATOM 0 HD21 LEU A 60 11.658 -1.896 9.816 1.00 0.00 H new ATOM 0 HD22 LEU A 60 11.462 -1.891 8.047 1.00 0.00 H new ATOM 0 HD23 LEU A 60 10.701 -0.617 9.031 1.00 0.00 H new ATOM 899 N ARG A 61 6.465 -2.806 10.424 1.00 0.00 N ATOM 900 CA ARG A 61 5.779 -2.243 11.585 1.00 0.00 C ATOM 901 C ARG A 61 6.772 -1.906 12.699 1.00 0.00 C ATOM 902 O ARG A 61 6.774 -0.790 13.221 1.00 0.00 O ATOM 903 CB ARG A 61 4.721 -3.223 12.104 1.00 0.00 C ATOM 904 CG ARG A 61 3.543 -2.543 12.784 1.00 0.00 C ATOM 905 CD ARG A 61 2.328 -2.487 11.870 1.00 0.00 C ATOM 906 NE ARG A 61 1.071 -2.481 12.623 1.00 0.00 N ATOM 907 CZ ARG A 61 -0.118 -2.799 12.101 1.00 0.00 C ATOM 908 NH1 ARG A 61 -0.226 -3.141 10.820 1.00 0.00 N ATOM 909 NH2 ARG A 61 -1.204 -2.772 12.867 1.00 0.00 N ATOM 0 H ARG A 61 6.821 -3.751 10.564 1.00 0.00 H new ATOM 0 HA ARG A 61 5.288 -1.321 11.273 1.00 0.00 H new ATOM 0 HB2 ARG A 61 4.353 -3.822 11.271 1.00 0.00 H new ATOM 0 HB3 ARG A 61 5.189 -3.911 12.808 1.00 0.00 H new ATOM 0 HG2 ARG A 61 3.288 -3.081 13.697 1.00 0.00 H new ATOM 0 HG3 ARG A 61 3.825 -1.532 13.078 1.00 0.00 H new ATOM 0 HD2 ARG A 61 2.383 -1.592 11.250 1.00 0.00 H new ATOM 0 HD3 ARG A 61 2.342 -3.344 11.196 1.00 0.00 H new ATOM 0 HE ARG A 61 1.105 -2.218 13.608 1.00 0.00 H new ATOM 0 HH11 ARG A 61 0.603 -3.162 10.226 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -1.138 -3.382 10.432 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -1.129 -2.509 13.850 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -2.113 -3.014 12.472 1.00 0.00 H new ATOM 923 N LEU A 62 7.614 -2.877 13.057 1.00 0.00 N ATOM 924 CA LEU A 62 8.613 -2.691 14.108 1.00 0.00 C ATOM 925 C LEU A 62 9.890 -2.069 13.544 1.00 0.00 C ATOM 926 O LEU A 62 10.748 -2.768 13.001 1.00 0.00 O ATOM 927 CB LEU A 62 8.932 -4.033 14.781 1.00 0.00 C ATOM 928 CG LEU A 62 7.724 -4.774 15.364 1.00 0.00 C ATOM 929 CD1 LEU A 62 7.889 -6.278 15.211 1.00 0.00 C ATOM 930 CD2 LEU A 62 7.523 -4.401 16.829 1.00 0.00 C ATOM 0 H LEU A 62 7.623 -3.804 12.632 1.00 0.00 H new ATOM 0 HA LEU A 62 8.200 -2.010 14.852 1.00 0.00 H new ATOM 0 HB2 LEU A 62 9.418 -4.681 14.051 1.00 0.00 H new ATOM 0 HB3 LEU A 62 9.651 -3.858 15.581 1.00 0.00 H new ATOM 0 HG LEU A 62 6.837 -4.471 14.808 1.00 0.00 H new ATOM 0 HD11 LEU A 62 7.020 -6.784 15.632 1.00 0.00 H new ATOM 0 HD12 LEU A 62 7.978 -6.529 14.154 1.00 0.00 H new ATOM 0 HD13 LEU A 62 8.787 -6.601 15.738 1.00 0.00 H new ATOM 0 HD21 LEU A 62 6.661 -4.937 17.226 1.00 0.00 H new ATOM 0 HD22 LEU A 62 8.412 -4.672 17.399 1.00 0.00 H new ATOM 0 HD23 LEU A 62 7.352 -3.328 16.911 1.00 0.00 H new ATOM 942 N ILE A 63 10.007 -0.747 13.678 1.00 0.00 N ATOM 943 CA ILE A 63 11.179 -0.021 13.185 1.00 0.00 C ATOM 944 C ILE A 63 12.276 0.047 14.246 1.00 0.00 C ATOM 945 O ILE A 63 12.027 -0.206 15.428 1.00 0.00 O ATOM 946 CB ILE A 63 10.817 1.415 12.735 1.00 0.00 C ATOM 947 CG1 ILE A 63 10.258 2.229 13.908 1.00 0.00 C ATOM 948 CG2 ILE A 63 9.820 1.376 11.583 1.00 0.00 C ATOM 949 CD1 ILE A 63 11.242 3.233 14.473 1.00 0.00 C ATOM 0 H ILE A 63 9.305 -0.157 14.124 1.00 0.00 H new ATOM 0 HA ILE A 63 11.547 -0.576 12.322 1.00 0.00 H new ATOM 0 HB ILE A 63 11.727 1.905 12.387 1.00 0.00 H new ATOM 0 HG12 ILE A 63 9.362 2.756 13.579 1.00 0.00 H new ATOM 0 HG13 ILE A 63 9.953 1.546 14.701 1.00 0.00 H new ATOM 0 HG21 ILE A 63 9.576 2.394 11.278 1.00 0.00 H new ATOM 0 HG22 ILE A 63 10.258 0.840 10.741 1.00 0.00 H new ATOM 0 HG23 ILE A 63 8.912 0.866 11.905 1.00 0.00 H new ATOM 0 HD11 ILE A 63 10.778 3.772 15.299 1.00 0.00 H new ATOM 0 HD12 ILE A 63 12.128 2.711 14.833 1.00 0.00 H new ATOM 0 HD13 ILE A 63 11.528 3.940 13.694 1.00 0.00 H new ATOM 961 N LYS A 64 13.492 0.388 13.818 1.00 0.00 N ATOM 962 CA LYS A 64 14.630 0.489 14.731 1.00 0.00 C ATOM 963 C LYS A 64 15.627 1.547 14.257 1.00 0.00 C ATOM 964 O LYS A 64 15.992 1.585 13.082 1.00 0.00 O ATOM 965 CB LYS A 64 15.333 -0.867 14.865 1.00 0.00 C ATOM 966 CG LYS A 64 15.570 -1.575 13.539 1.00 0.00 C ATOM 967 CD LYS A 64 15.972 -3.028 13.749 1.00 0.00 C ATOM 968 CE LYS A 64 15.302 -3.949 12.739 1.00 0.00 C ATOM 969 NZ LYS A 64 14.645 -5.117 13.392 1.00 0.00 N ATOM 0 H LYS A 64 13.714 0.599 12.845 1.00 0.00 H new ATOM 0 HA LYS A 64 14.247 0.790 15.706 1.00 0.00 H new ATOM 0 HB2 LYS A 64 16.291 -0.720 15.363 1.00 0.00 H new ATOM 0 HB3 LYS A 64 14.735 -1.513 15.508 1.00 0.00 H new ATOM 0 HG2 LYS A 64 14.664 -1.530 12.934 1.00 0.00 H new ATOM 0 HG3 LYS A 64 16.351 -1.057 12.983 1.00 0.00 H new ATOM 0 HD2 LYS A 64 17.055 -3.122 13.665 1.00 0.00 H new ATOM 0 HD3 LYS A 64 15.703 -3.338 14.759 1.00 0.00 H new ATOM 0 HE2 LYS A 64 14.560 -3.386 12.173 1.00 0.00 H new ATOM 0 HE3 LYS A 64 16.045 -4.304 12.025 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 14.202 -5.716 12.667 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 15.356 -5.670 13.911 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 13.917 -4.780 14.054 1.00 0.00 H new ATOM 983 N GLY A 65 16.061 2.399 15.187 1.00 0.00 N ATOM 984 CA GLY A 65 17.014 3.447 14.856 1.00 0.00 C ATOM 985 C GLY A 65 17.039 4.566 15.884 1.00 0.00 C ATOM 986 O GLY A 65 16.823 5.731 15.544 1.00 0.00 O ATOM 0 H GLY A 65 15.769 2.381 16.164 1.00 0.00 H new ATOM 0 HA2 GLY A 65 18.010 3.013 14.774 1.00 0.00 H new ATOM 0 HA3 GLY A 65 16.766 3.862 13.879 1.00 0.00 H new ATOM 990 N GLY A 66 17.305 4.209 17.142 1.00 0.00 N ATOM 991 CA GLY A 66 17.354 5.199 18.209 1.00 0.00 C ATOM 992 C GLY A 66 17.483 4.572 19.588 1.00 0.00 C ATOM 993 O GLY A 66 18.011 3.443 19.684 1.00 0.00 O ATOM 0 H GLY A 66 17.487 3.251 17.441 1.00 0.00 H new ATOM 0 HA2 GLY A 66 18.197 5.869 18.039 1.00 0.00 H new ATOM 0 HA3 GLY A 66 16.451 5.808 18.175 1.00 0.00 H new TER 997 GLY A 66