USER MOD reduce.3.24.130724 H: found=0, std=0, add=615, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 615 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 : X 4 LYS NZ :NH3+ -143:sc= 1.21 (180deg=-0.035) USER MOD Single : X 5 ASN :FLIP amide:sc= -0.0304 F(o=-1.2!,f=-0.03) USER MOD Single : X 6 SER OG : rot 180:sc= 0 USER MOD Single : X 8 SER OG : rot 180:sc= 0 USER MOD Single : X 10 TYR OH : rot -140:sc= -2.39! USER MOD Single : X 11 THR OG1 : rot 126:sc= -0.566 USER MOD Single : X 17 GLN :FLIP amide:sc= -0.0682 F(o=-1.4!,f=-0.068) USER MOD Single : X 20 LYS NZ :NH3+ 171:sc= 1.19 (180deg=1.11) USER MOD Single : X 24 LYS NZ :NH3+ -173:sc=-0.00375 (180deg=-0.0746) USER MOD Single : X 26 ASN : amide:sc= 0 X(o=0,f=-0.28) USER MOD Single : X 30 THR OG1 : rot -91:sc= 0.285 USER MOD Single : X 40 HIS : no HD1:sc= -3.11! C(o=-3.1!,f=-5.1!) USER MOD Single : X 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : X 45 THR OG1 : rot 40:sc= -2.72! USER MOD Single : X 47 HIS : no HD1:sc= -2.48 K(o=-2.5,f=-3.5!) USER MOD Single : X 51 THR OG1 : rot 180:sc= 0.0061 USER MOD Single : X 55 TYR OH : rot 180:sc= 0 USER MOD Single : X 77 LYS NZ :NH3+ -169:sc= -0.0247 (180deg=-0.181) USER MOD Single : X 80 LYS NZ :NH3+ 164:sc= -0.0388 (180deg=-0.273) USER MOD Single : X 86 ASN : amide:sc= -0.0405 X(o=-0.041,f=-0.051) USER MOD Single : X 88 LYS NZ :NH3+ -176:sc= 1.22 (180deg=1.06) USER MOD Single : X 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : X 93 GLN : amide:sc= 0.903 K(o=0.9,f=-0.17) USER MOD ----------------------------------------------------------------- ATOM 16 N LEU X 3 61.279 5.827 5.544 1.00 0.00 N ATOM 17 CA LEU X 3 62.244 6.628 4.834 1.00 0.00 C ATOM 18 C LEU X 3 62.716 7.755 5.704 1.00 0.00 C ATOM 19 O LEU X 3 61.907 8.474 6.298 1.00 0.00 O ATOM 20 CB LEU X 3 61.641 7.179 3.553 1.00 0.00 C ATOM 21 CG LEU X 3 61.312 6.160 2.486 1.00 0.00 C ATOM 22 CD1 LEU X 3 60.606 6.829 1.309 1.00 0.00 C ATOM 23 CD2 LEU X 3 62.590 5.516 2.026 1.00 0.00 C ATOM 0 HA LEU X 3 63.094 5.997 4.575 1.00 0.00 H new ATOM 0 HB2 LEU X 3 60.728 7.718 3.807 1.00 0.00 H new ATOM 0 HB3 LEU X 3 62.335 7.907 3.132 1.00 0.00 H new ATOM 0 HG LEU X 3 60.643 5.404 2.896 1.00 0.00 H new ATOM 0 HD11 LEU X 3 60.376 6.081 0.550 1.00 0.00 H new ATOM 0 HD12 LEU X 3 59.681 7.291 1.654 1.00 0.00 H new ATOM 0 HD13 LEU X 3 61.256 7.593 0.881 1.00 0.00 H new ATOM 0 HD21 LEU X 3 62.369 4.778 1.255 1.00 0.00 H new ATOM 0 HD22 LEU X 3 63.255 6.277 1.619 1.00 0.00 H new ATOM 0 HD23 LEU X 3 63.074 5.025 2.870 1.00 0.00 H new ATOM 35 N LYS X 4 64.003 7.888 5.822 1.00 0.00 N ATOM 36 CA LYS X 4 64.584 8.945 6.596 1.00 0.00 C ATOM 37 C LYS X 4 65.176 9.941 5.635 1.00 0.00 C ATOM 38 O LYS X 4 65.526 9.585 4.521 1.00 0.00 O ATOM 39 CB LYS X 4 65.712 8.438 7.501 1.00 0.00 C ATOM 40 CG LYS X 4 65.473 7.154 8.278 1.00 0.00 C ATOM 41 CD LYS X 4 64.122 7.048 8.878 1.00 0.00 C ATOM 42 CE LYS X 4 64.181 6.118 10.076 1.00 0.00 C ATOM 43 NZ LYS X 4 62.866 5.810 10.637 1.00 0.00 N ATOM 0 H LYS X 4 64.682 7.266 5.384 1.00 0.00 H new ATOM 0 HA LYS X 4 63.808 9.381 7.226 1.00 0.00 H new ATOM 0 HB2 LYS X 4 66.599 8.296 6.883 1.00 0.00 H new ATOM 0 HB3 LYS X 4 65.946 9.225 8.218 1.00 0.00 H new ATOM 0 HG2 LYS X 4 65.630 6.305 7.612 1.00 0.00 H new ATOM 0 HG3 LYS X 4 66.217 7.079 9.071 1.00 0.00 H new ATOM 0 HD2 LYS X 4 63.768 8.033 9.184 1.00 0.00 H new ATOM 0 HD3 LYS X 4 63.413 6.669 8.142 1.00 0.00 H new ATOM 0 HE2 LYS X 4 64.669 5.189 9.782 1.00 0.00 H new ATOM 0 HE3 LYS X 4 64.800 6.572 10.849 1.00 0.00 H new ATOM 0 HZ1 LYS X 4 62.936 5.751 11.673 1.00 0.00 H new ATOM 0 HZ2 LYS X 4 62.193 6.559 10.377 1.00 0.00 H new ATOM 0 HZ3 LYS X 4 62.532 4.900 10.260 1.00 0.00 H new ATOM 57 N ASN X 5 65.330 11.167 6.056 1.00 0.00 N ATOM 58 CA ASN X 5 65.883 12.176 5.169 1.00 0.00 C ATOM 59 C ASN X 5 67.394 12.048 5.049 1.00 0.00 C ATOM 60 O ASN X 5 67.991 12.478 4.060 1.00 0.00 O ATOM 61 CB ASN X 5 65.455 13.600 5.554 1.00 0.00 C ATOM 62 CG ASN X 5 63.954 13.852 5.374 1.00 0.00 C ATOM 63 OD1 ASN X 5 63.329 13.186 4.408 1.00 0.00 O flip ATOM 64 ND2 ASN X 5 63.362 14.657 6.097 1.00 0.00 N flip ATOM 0 H ASN X 5 65.088 11.496 6.990 1.00 0.00 H new ATOM 0 HA ASN X 5 65.461 11.989 4.181 1.00 0.00 H new ATOM 0 HB2 ASN X 5 65.725 13.784 6.594 1.00 0.00 H new ATOM 0 HB3 ASN X 5 66.012 14.315 4.948 1.00 0.00 H new ATOM 0 HD21 ASN X 5 63.869 15.153 6.830 1.00 0.00 H new ATOM 0 HD22 ASN X 5 62.365 14.827 5.962 1.00 0.00 H new ATOM 71 N SER X 6 68.008 11.426 6.028 1.00 0.00 N ATOM 72 CA SER X 6 69.419 11.189 5.998 1.00 0.00 C ATOM 73 C SER X 6 69.738 9.825 6.616 1.00 0.00 C ATOM 74 O SER X 6 68.906 9.246 7.331 1.00 0.00 O ATOM 75 CB SER X 6 70.170 12.317 6.706 1.00 0.00 C ATOM 76 OG SER X 6 69.698 12.489 8.042 1.00 0.00 O ATOM 0 H SER X 6 67.539 11.074 6.862 1.00 0.00 H new ATOM 0 HA SER X 6 69.754 11.174 4.961 1.00 0.00 H new ATOM 0 HB2 SER X 6 71.237 12.095 6.720 1.00 0.00 H new ATOM 0 HB3 SER X 6 70.045 13.246 6.150 1.00 0.00 H new ATOM 0 HG SER X 6 70.195 13.215 8.474 1.00 0.00 H new ATOM 82 N ILE X 7 70.942 9.344 6.373 1.00 0.00 N ATOM 83 CA ILE X 7 71.401 8.024 6.829 1.00 0.00 C ATOM 84 C ILE X 7 71.548 7.975 8.377 1.00 0.00 C ATOM 85 O ILE X 7 71.545 6.909 8.980 1.00 0.00 O ATOM 86 CB ILE X 7 72.773 7.687 6.154 1.00 0.00 C ATOM 87 CG1 ILE X 7 73.193 6.227 6.371 1.00 0.00 C ATOM 88 CG2 ILE X 7 73.867 8.621 6.647 1.00 0.00 C ATOM 89 CD1 ILE X 7 72.280 5.222 5.715 1.00 0.00 C ATOM 0 H ILE X 7 71.648 9.859 5.846 1.00 0.00 H new ATOM 0 HA ILE X 7 70.654 7.285 6.541 1.00 0.00 H new ATOM 0 HB ILE X 7 72.633 7.833 5.083 1.00 0.00 H new ATOM 0 HG12 ILE X 7 74.204 6.090 5.987 1.00 0.00 H new ATOM 0 HG13 ILE X 7 73.229 6.025 7.442 1.00 0.00 H new ATOM 0 HG21 ILE X 7 74.809 8.365 6.163 1.00 0.00 H new ATOM 0 HG22 ILE X 7 73.603 9.651 6.406 1.00 0.00 H new ATOM 0 HG23 ILE X 7 73.974 8.518 7.727 1.00 0.00 H new ATOM 0 HD11 ILE X 7 72.645 4.214 5.915 1.00 0.00 H new ATOM 0 HD12 ILE X 7 71.272 5.330 6.116 1.00 0.00 H new ATOM 0 HD13 ILE X 7 72.262 5.395 4.639 1.00 0.00 H new ATOM 101 N SER X 8 71.594 9.139 8.997 1.00 0.00 N ATOM 102 CA SER X 8 71.842 9.251 10.422 1.00 0.00 C ATOM 103 C SER X 8 70.613 8.820 11.248 1.00 0.00 C ATOM 104 O SER X 8 70.712 8.561 12.457 1.00 0.00 O ATOM 105 CB SER X 8 72.295 10.690 10.753 1.00 0.00 C ATOM 106 OG SER X 8 72.615 10.852 12.124 1.00 0.00 O ATOM 0 H SER X 8 71.460 10.034 8.527 1.00 0.00 H new ATOM 0 HA SER X 8 72.644 8.567 10.698 1.00 0.00 H new ATOM 0 HB2 SER X 8 73.165 10.943 10.147 1.00 0.00 H new ATOM 0 HB3 SER X 8 71.504 11.389 10.482 1.00 0.00 H new ATOM 0 HG SER X 8 72.898 11.776 12.287 1.00 0.00 H new ATOM 112 N ASP X 9 69.465 8.712 10.599 1.00 0.00 N ATOM 113 CA ASP X 9 68.256 8.279 11.295 1.00 0.00 C ATOM 114 C ASP X 9 67.989 6.833 10.926 1.00 0.00 C ATOM 115 O ASP X 9 67.023 6.222 11.358 1.00 0.00 O ATOM 116 CB ASP X 9 67.058 9.137 10.884 1.00 0.00 C ATOM 117 CG ASP X 9 65.896 9.071 11.859 1.00 0.00 C ATOM 118 OD1 ASP X 9 66.116 9.186 13.082 1.00 0.00 O ATOM 119 OD2 ASP X 9 64.738 8.939 11.420 1.00 0.00 O ATOM 0 H ASP X 9 69.341 8.914 9.607 1.00 0.00 H new ATOM 0 HA ASP X 9 68.399 8.384 12.370 1.00 0.00 H new ATOM 0 HB2 ASP X 9 67.381 10.174 10.787 1.00 0.00 H new ATOM 0 HB3 ASP X 9 66.714 8.817 9.900 1.00 0.00 H new ATOM 124 N TYR X 10 68.888 6.276 10.156 1.00 0.00 N ATOM 125 CA TYR X 10 68.730 4.944 9.652 1.00 0.00 C ATOM 126 C TYR X 10 69.456 3.975 10.491 1.00 0.00 C ATOM 127 O TYR X 10 70.684 4.010 10.574 1.00 0.00 O ATOM 128 CB TYR X 10 69.195 4.798 8.197 1.00 0.00 C ATOM 129 CG TYR X 10 68.082 4.857 7.191 1.00 0.00 C ATOM 130 CD1 TYR X 10 67.179 3.812 7.096 1.00 0.00 C ATOM 131 CD2 TYR X 10 67.915 5.940 6.354 1.00 0.00 C ATOM 132 CE1 TYR X 10 66.143 3.836 6.197 1.00 0.00 C ATOM 133 CE2 TYR X 10 66.866 5.977 5.453 1.00 0.00 C ATOM 134 CZ TYR X 10 65.988 4.920 5.382 1.00 0.00 C ATOM 135 OH TYR X 10 64.945 4.957 4.507 1.00 0.00 O ATOM 0 H TYR X 10 69.749 6.737 9.863 1.00 0.00 H new ATOM 0 HA TYR X 10 67.661 4.736 9.684 1.00 0.00 H new ATOM 0 HB2 TYR X 10 69.914 5.587 7.975 1.00 0.00 H new ATOM 0 HB3 TYR X 10 69.720 3.849 8.088 1.00 0.00 H new ATOM 0 HD1 TYR X 10 67.293 2.957 7.746 1.00 0.00 H new ATOM 0 HD2 TYR X 10 68.609 6.766 6.402 1.00 0.00 H new ATOM 0 HE1 TYR X 10 65.456 3.005 6.135 1.00 0.00 H new ATOM 0 HE2 TYR X 10 66.737 6.833 4.807 1.00 0.00 H new ATOM 0 HH TYR X 10 65.245 5.339 3.656 1.00 0.00 H new ATOM 145 N THR X 11 68.722 3.140 11.154 1.00 0.00 N ATOM 146 CA THR X 11 69.315 2.072 11.861 1.00 0.00 C ATOM 147 C THR X 11 69.665 1.061 10.784 1.00 0.00 C ATOM 148 O THR X 11 69.043 1.093 9.695 1.00 0.00 O ATOM 149 CB THR X 11 68.323 1.456 12.892 1.00 0.00 C ATOM 150 OG1 THR X 11 67.237 0.831 12.221 1.00 0.00 O ATOM 151 CG2 THR X 11 67.756 2.526 13.813 1.00 0.00 C ATOM 0 H THR X 11 67.705 3.185 11.215 1.00 0.00 H new ATOM 0 HA THR X 11 70.183 2.392 12.437 1.00 0.00 H new ATOM 0 HB THR X 11 68.878 0.724 13.479 1.00 0.00 H new ATOM 0 HG1 THR X 11 67.154 -0.097 12.526 1.00 0.00 H new ATOM 0 HG21 THR X 11 67.067 2.068 14.522 1.00 0.00 H new ATOM 0 HG22 THR X 11 68.569 3.007 14.356 1.00 0.00 H new ATOM 0 HG23 THR X 11 67.225 3.271 13.221 1.00 0.00 H new ATOM 159 N GLU X 12 70.632 0.214 11.017 1.00 0.00 N ATOM 160 CA GLU X 12 71.012 -0.750 10.004 1.00 0.00 C ATOM 161 C GLU X 12 69.824 -1.621 9.580 1.00 0.00 C ATOM 162 O GLU X 12 69.612 -1.834 8.403 1.00 0.00 O ATOM 163 CB GLU X 12 72.266 -1.538 10.414 1.00 0.00 C ATOM 164 CG GLU X 12 72.199 -2.205 11.770 1.00 0.00 C ATOM 165 CD GLU X 12 73.556 -2.664 12.250 1.00 0.00 C ATOM 166 OE1 GLU X 12 74.261 -1.874 12.925 1.00 0.00 O ATOM 167 OE2 GLU X 12 73.944 -3.822 11.994 1.00 0.00 O ATOM 0 H GLU X 12 71.168 0.166 11.884 1.00 0.00 H new ATOM 0 HA GLU X 12 71.301 -0.207 9.104 1.00 0.00 H new ATOM 0 HB2 GLU X 12 72.456 -2.303 9.661 1.00 0.00 H new ATOM 0 HB3 GLU X 12 73.120 -0.861 10.403 1.00 0.00 H new ATOM 0 HG2 GLU X 12 71.776 -1.509 12.494 1.00 0.00 H new ATOM 0 HG3 GLU X 12 71.525 -3.060 11.719 1.00 0.00 H new ATOM 174 N ALA X 13 68.999 -2.018 10.530 1.00 0.00 N ATOM 175 CA ALA X 13 67.804 -2.792 10.222 1.00 0.00 C ATOM 176 C ALA X 13 66.726 -1.946 9.502 1.00 0.00 C ATOM 177 O ALA X 13 66.054 -2.459 8.619 1.00 0.00 O ATOM 178 CB ALA X 13 67.253 -3.477 11.451 1.00 0.00 C ATOM 0 H ALA X 13 69.131 -1.819 11.522 1.00 0.00 H new ATOM 0 HA ALA X 13 68.105 -3.572 9.523 1.00 0.00 H new ATOM 0 HB1 ALA X 13 66.362 -4.045 11.183 1.00 0.00 H new ATOM 0 HB2 ALA X 13 68.005 -4.153 11.859 1.00 0.00 H new ATOM 0 HB3 ALA X 13 66.994 -2.728 12.200 1.00 0.00 H new ATOM 184 N GLU X 14 66.552 -0.660 9.890 1.00 0.00 N ATOM 185 CA GLU X 14 65.610 0.255 9.179 1.00 0.00 C ATOM 186 C GLU X 14 66.005 0.337 7.739 1.00 0.00 C ATOM 187 O GLU X 14 65.166 0.268 6.830 1.00 0.00 O ATOM 188 CB GLU X 14 65.646 1.686 9.770 1.00 0.00 C ATOM 189 CG GLU X 14 64.429 2.067 10.592 1.00 0.00 C ATOM 190 CD GLU X 14 63.171 2.178 9.757 1.00 0.00 C ATOM 191 OE1 GLU X 14 62.577 1.159 9.426 1.00 0.00 O ATOM 192 OE2 GLU X 14 62.729 3.317 9.449 1.00 0.00 O ATOM 0 H GLU X 14 67.040 -0.233 10.677 1.00 0.00 H new ATOM 0 HA GLU X 14 64.603 -0.146 9.294 1.00 0.00 H new ATOM 0 HB2 GLU X 14 66.534 1.783 10.395 1.00 0.00 H new ATOM 0 HB3 GLU X 14 65.752 2.399 8.952 1.00 0.00 H new ATOM 0 HG2 GLU X 14 64.277 1.323 11.374 1.00 0.00 H new ATOM 0 HG3 GLU X 14 64.615 3.019 11.089 1.00 0.00 H new ATOM 199 N PHE X 15 67.297 0.431 7.546 1.00 0.00 N ATOM 200 CA PHE X 15 67.871 0.534 6.255 1.00 0.00 C ATOM 201 C PHE X 15 67.654 -0.771 5.500 1.00 0.00 C ATOM 202 O PHE X 15 67.046 -0.758 4.450 1.00 0.00 O ATOM 203 CB PHE X 15 69.352 0.891 6.390 1.00 0.00 C ATOM 204 CG PHE X 15 69.997 1.419 5.145 1.00 0.00 C ATOM 205 CD1 PHE X 15 69.639 2.654 4.634 1.00 0.00 C ATOM 206 CD2 PHE X 15 70.986 0.709 4.515 1.00 0.00 C ATOM 207 CE1 PHE X 15 70.261 3.162 3.513 1.00 0.00 C ATOM 208 CE2 PHE X 15 71.611 1.206 3.391 1.00 0.00 C ATOM 209 CZ PHE X 15 71.248 2.436 2.893 1.00 0.00 C ATOM 0 H PHE X 15 67.979 0.437 8.304 1.00 0.00 H new ATOM 0 HA PHE X 15 67.392 1.327 5.681 1.00 0.00 H new ATOM 0 HB2 PHE X 15 69.459 1.635 7.179 1.00 0.00 H new ATOM 0 HB3 PHE X 15 69.895 0.003 6.713 1.00 0.00 H new ATOM 0 HD1 PHE X 15 68.863 3.227 5.119 1.00 0.00 H new ATOM 0 HD2 PHE X 15 71.280 -0.254 4.905 1.00 0.00 H new ATOM 0 HE1 PHE X 15 69.973 4.127 3.124 1.00 0.00 H new ATOM 0 HE2 PHE X 15 72.384 0.631 2.903 1.00 0.00 H new ATOM 0 HZ PHE X 15 71.739 2.830 2.015 1.00 0.00 H new ATOM 219 N VAL X 16 68.064 -1.910 6.089 1.00 0.00 N ATOM 220 CA VAL X 16 67.915 -3.215 5.419 1.00 0.00 C ATOM 221 C VAL X 16 66.436 -3.535 5.112 1.00 0.00 C ATOM 222 O VAL X 16 66.142 -4.197 4.129 1.00 0.00 O ATOM 223 CB VAL X 16 68.517 -4.427 6.213 1.00 0.00 C ATOM 224 CG1 VAL X 16 69.933 -4.257 6.659 1.00 0.00 C ATOM 225 CG2 VAL X 16 67.637 -4.900 7.305 1.00 0.00 C ATOM 0 H VAL X 16 68.494 -1.954 7.013 1.00 0.00 H new ATOM 0 HA VAL X 16 68.487 -3.101 4.498 1.00 0.00 H new ATOM 0 HB VAL X 16 68.560 -5.222 5.469 1.00 0.00 H new ATOM 0 HG11 VAL X 16 70.254 -5.148 7.198 1.00 0.00 H new ATOM 0 HG12 VAL X 16 70.573 -4.108 5.789 1.00 0.00 H new ATOM 0 HG13 VAL X 16 70.006 -3.390 7.316 1.00 0.00 H new ATOM 0 HG21 VAL X 16 68.110 -5.739 7.816 1.00 0.00 H new ATOM 0 HG22 VAL X 16 67.471 -4.090 8.015 1.00 0.00 H new ATOM 0 HG23 VAL X 16 66.681 -5.220 6.890 1.00 0.00 H new ATOM 235 N GLN X 17 65.520 -3.080 5.974 1.00 0.00 N ATOM 236 CA GLN X 17 64.110 -3.320 5.815 1.00 0.00 C ATOM 237 C GLN X 17 63.625 -2.554 4.619 1.00 0.00 C ATOM 238 O GLN X 17 62.882 -3.068 3.786 1.00 0.00 O ATOM 239 CB GLN X 17 63.376 -2.815 7.032 1.00 0.00 C ATOM 240 CG GLN X 17 61.963 -3.299 7.113 1.00 0.00 C ATOM 241 CD GLN X 17 61.137 -2.557 8.138 1.00 0.00 C ATOM 242 OE1 GLN X 17 61.362 -1.277 8.265 1.00 0.00 O flip ATOM 243 NE2 GLN X 17 60.250 -3.126 8.769 1.00 0.00 N flip ATOM 0 H GLN X 17 65.754 -2.533 6.802 1.00 0.00 H new ATOM 0 HA GLN X 17 63.931 -4.388 5.688 1.00 0.00 H new ATOM 0 HB2 GLN X 17 63.912 -3.129 7.928 1.00 0.00 H new ATOM 0 HB3 GLN X 17 63.380 -1.725 7.024 1.00 0.00 H new ATOM 0 HG2 GLN X 17 61.494 -3.196 6.134 1.00 0.00 H new ATOM 0 HG3 GLN X 17 61.963 -4.362 7.356 1.00 0.00 H new ATOM 0 HE21 GLN X 17 60.100 -4.127 8.647 1.00 0.00 H new ATOM 0 HE22 GLN X 17 59.664 -2.597 9.415 1.00 0.00 H new ATOM 252 N LEU X 18 64.099 -1.323 4.528 1.00 0.00 N ATOM 253 CA LEU X 18 63.755 -0.434 3.450 1.00 0.00 C ATOM 254 C LEU X 18 64.276 -1.054 2.159 1.00 0.00 C ATOM 255 O LEU X 18 63.626 -1.076 1.144 1.00 0.00 O ATOM 256 CB LEU X 18 64.401 0.944 3.727 1.00 0.00 C ATOM 257 CG LEU X 18 63.873 2.171 2.963 1.00 0.00 C ATOM 258 CD1 LEU X 18 64.167 2.122 1.479 1.00 0.00 C ATOM 259 CD2 LEU X 18 62.392 2.360 3.217 1.00 0.00 C ATOM 0 H LEU X 18 64.739 -0.916 5.210 1.00 0.00 H new ATOM 0 HA LEU X 18 62.678 -0.290 3.363 1.00 0.00 H new ATOM 0 HB2 LEU X 18 64.300 1.149 4.793 1.00 0.00 H new ATOM 0 HB3 LEU X 18 65.467 0.858 3.519 1.00 0.00 H new ATOM 0 HG LEU X 18 64.413 3.035 3.351 1.00 0.00 H new ATOM 0 HD11 LEU X 18 63.768 3.016 0.999 1.00 0.00 H new ATOM 0 HD12 LEU X 18 65.245 2.076 1.323 1.00 0.00 H new ATOM 0 HD13 LEU X 18 63.700 1.238 1.045 1.00 0.00 H new ATOM 0 HD21 LEU X 18 62.037 3.232 2.668 1.00 0.00 H new ATOM 0 HD22 LEU X 18 61.850 1.476 2.882 1.00 0.00 H new ATOM 0 HD23 LEU X 18 62.222 2.508 4.283 1.00 0.00 H new ATOM 271 N LEU X 19 65.428 -1.603 2.254 1.00 0.00 N ATOM 272 CA LEU X 19 66.070 -2.264 1.160 1.00 0.00 C ATOM 273 C LEU X 19 65.294 -3.504 0.717 1.00 0.00 C ATOM 274 O LEU X 19 65.209 -3.792 -0.478 1.00 0.00 O ATOM 275 CB LEU X 19 67.480 -2.586 1.572 1.00 0.00 C ATOM 276 CG LEU X 19 68.301 -1.359 1.936 1.00 0.00 C ATOM 277 CD1 LEU X 19 69.713 -1.683 2.200 1.00 0.00 C ATOM 278 CD2 LEU X 19 68.187 -0.293 0.908 1.00 0.00 C ATOM 0 H LEU X 19 65.974 -1.610 3.116 1.00 0.00 H new ATOM 0 HA LEU X 19 66.092 -1.609 0.289 1.00 0.00 H new ATOM 0 HB2 LEU X 19 67.455 -3.263 2.426 1.00 0.00 H new ATOM 0 HB3 LEU X 19 67.975 -3.117 0.759 1.00 0.00 H new ATOM 0 HG LEU X 19 67.878 -0.977 2.865 1.00 0.00 H new ATOM 0 HD11 LEU X 19 70.254 -0.772 2.455 1.00 0.00 H new ATOM 0 HD12 LEU X 19 69.776 -2.387 3.030 1.00 0.00 H new ATOM 0 HD13 LEU X 19 70.156 -2.131 1.310 1.00 0.00 H new ATOM 0 HD21 LEU X 19 68.788 0.566 1.206 1.00 0.00 H new ATOM 0 HD22 LEU X 19 68.544 -0.671 -0.050 1.00 0.00 H new ATOM 0 HD23 LEU X 19 67.144 0.010 0.812 1.00 0.00 H new ATOM 290 N LYS X 20 64.704 -4.218 1.673 1.00 0.00 N ATOM 291 CA LYS X 20 63.897 -5.387 1.351 1.00 0.00 C ATOM 292 C LYS X 20 62.654 -4.982 0.588 1.00 0.00 C ATOM 293 O LYS X 20 62.213 -5.698 -0.327 1.00 0.00 O ATOM 294 CB LYS X 20 63.463 -6.189 2.583 1.00 0.00 C ATOM 295 CG LYS X 20 64.583 -6.769 3.406 1.00 0.00 C ATOM 296 CD LYS X 20 64.068 -7.931 4.248 1.00 0.00 C ATOM 297 CE LYS X 20 65.175 -8.592 5.038 1.00 0.00 C ATOM 298 NZ LYS X 20 65.677 -7.726 6.118 1.00 0.00 N ATOM 0 H LYS X 20 64.770 -4.008 2.669 1.00 0.00 H new ATOM 0 HA LYS X 20 64.539 -6.025 0.744 1.00 0.00 H new ATOM 0 HB2 LYS X 20 62.862 -5.542 3.223 1.00 0.00 H new ATOM 0 HB3 LYS X 20 62.816 -7.003 2.256 1.00 0.00 H new ATOM 0 HG2 LYS X 20 65.385 -7.111 2.752 1.00 0.00 H new ATOM 0 HG3 LYS X 20 65.005 -6.000 4.053 1.00 0.00 H new ATOM 0 HD2 LYS X 20 63.300 -7.571 4.932 1.00 0.00 H new ATOM 0 HD3 LYS X 20 63.596 -8.668 3.599 1.00 0.00 H new ATOM 0 HE2 LYS X 20 64.808 -9.526 5.464 1.00 0.00 H new ATOM 0 HE3 LYS X 20 65.996 -8.848 4.368 1.00 0.00 H new ATOM 0 HZ1 LYS X 20 66.323 -8.269 6.727 1.00 0.00 H new ATOM 0 HZ2 LYS X 20 66.186 -6.918 5.707 1.00 0.00 H new ATOM 0 HZ3 LYS X 20 64.877 -7.379 6.685 1.00 0.00 H new ATOM 312 N GLU X 21 62.077 -3.848 0.958 1.00 0.00 N ATOM 313 CA GLU X 21 60.899 -3.383 0.278 1.00 0.00 C ATOM 314 C GLU X 21 61.225 -2.872 -1.119 1.00 0.00 C ATOM 315 O GLU X 21 60.413 -3.018 -2.032 1.00 0.00 O ATOM 316 CB GLU X 21 60.056 -2.396 1.114 1.00 0.00 C ATOM 317 CG GLU X 21 60.758 -1.134 1.531 1.00 0.00 C ATOM 318 CD GLU X 21 59.930 -0.258 2.422 1.00 0.00 C ATOM 319 OE1 GLU X 21 59.074 0.471 1.910 1.00 0.00 O ATOM 320 OE2 GLU X 21 60.138 -0.258 3.659 1.00 0.00 O ATOM 0 H GLU X 21 62.406 -3.248 1.714 1.00 0.00 H new ATOM 0 HA GLU X 21 60.250 -4.249 0.149 1.00 0.00 H new ATOM 0 HB2 GLU X 21 59.170 -2.125 0.539 1.00 0.00 H new ATOM 0 HB3 GLU X 21 59.709 -2.911 2.010 1.00 0.00 H new ATOM 0 HG2 GLU X 21 61.682 -1.395 2.047 1.00 0.00 H new ATOM 0 HG3 GLU X 21 61.038 -0.572 0.640 1.00 0.00 H new ATOM 327 N ILE X 22 62.423 -2.311 -1.291 1.00 0.00 N ATOM 328 CA ILE X 22 62.884 -1.890 -2.624 1.00 0.00 C ATOM 329 C ILE X 22 63.065 -3.122 -3.491 1.00 0.00 C ATOM 330 O ILE X 22 62.607 -3.179 -4.608 1.00 0.00 O ATOM 331 CB ILE X 22 64.238 -1.130 -2.600 1.00 0.00 C ATOM 332 CG1 ILE X 22 64.214 0.002 -1.583 1.00 0.00 C ATOM 333 CG2 ILE X 22 64.535 -0.578 -3.996 1.00 0.00 C ATOM 334 CD1 ILE X 22 65.490 0.814 -1.516 1.00 0.00 C ATOM 0 H ILE X 22 63.088 -2.137 -0.537 1.00 0.00 H new ATOM 0 HA ILE X 22 62.127 -1.210 -3.015 1.00 0.00 H new ATOM 0 HB ILE X 22 65.023 -1.826 -2.306 1.00 0.00 H new ATOM 0 HG12 ILE X 22 63.386 0.670 -1.821 1.00 0.00 H new ATOM 0 HG13 ILE X 22 64.013 -0.417 -0.597 1.00 0.00 H new ATOM 0 HG21 ILE X 22 65.485 -0.044 -3.982 1.00 0.00 H new ATOM 0 HG22 ILE X 22 64.592 -1.401 -4.708 1.00 0.00 H new ATOM 0 HG23 ILE X 22 63.739 0.105 -4.294 1.00 0.00 H new ATOM 0 HD11 ILE X 22 65.384 1.598 -0.766 1.00 0.00 H new ATOM 0 HD12 ILE X 22 66.322 0.163 -1.245 1.00 0.00 H new ATOM 0 HD13 ILE X 22 65.685 1.266 -2.488 1.00 0.00 H new ATOM 346 N GLU X 23 63.700 -4.140 -2.926 1.00 0.00 N ATOM 347 CA GLU X 23 63.941 -5.372 -3.614 1.00 0.00 C ATOM 348 C GLU X 23 62.622 -5.990 -4.077 1.00 0.00 C ATOM 349 O GLU X 23 62.500 -6.452 -5.222 1.00 0.00 O ATOM 350 CB GLU X 23 64.671 -6.329 -2.679 1.00 0.00 C ATOM 351 CG GLU X 23 64.666 -7.735 -3.176 1.00 0.00 C ATOM 352 CD GLU X 23 65.275 -8.709 -2.215 1.00 0.00 C ATOM 353 OE1 GLU X 23 64.591 -9.110 -1.242 1.00 0.00 O ATOM 354 OE2 GLU X 23 66.418 -9.129 -2.432 1.00 0.00 O ATOM 0 H GLU X 23 64.059 -4.120 -1.971 1.00 0.00 H new ATOM 0 HA GLU X 23 64.555 -5.181 -4.494 1.00 0.00 H new ATOM 0 HB2 GLU X 23 65.701 -5.995 -2.556 1.00 0.00 H new ATOM 0 HB3 GLU X 23 64.205 -6.294 -1.694 1.00 0.00 H new ATOM 0 HG2 GLU X 23 63.639 -8.035 -3.384 1.00 0.00 H new ATOM 0 HG3 GLU X 23 65.209 -7.780 -4.120 1.00 0.00 H new ATOM 361 N LYS X 24 61.635 -5.932 -3.198 1.00 0.00 N ATOM 362 CA LYS X 24 60.331 -6.492 -3.449 1.00 0.00 C ATOM 363 C LYS X 24 59.684 -5.827 -4.672 1.00 0.00 C ATOM 364 O LYS X 24 59.196 -6.507 -5.575 1.00 0.00 O ATOM 365 CB LYS X 24 59.433 -6.315 -2.219 1.00 0.00 C ATOM 366 CG LYS X 24 58.096 -7.017 -2.335 1.00 0.00 C ATOM 367 CD LYS X 24 58.247 -8.526 -2.240 1.00 0.00 C ATOM 368 CE LYS X 24 56.922 -9.242 -2.475 1.00 0.00 C ATOM 369 NZ LYS X 24 55.859 -8.823 -1.526 1.00 0.00 N ATOM 0 H LYS X 24 61.724 -5.489 -2.284 1.00 0.00 H new ATOM 0 HA LYS X 24 60.447 -7.556 -3.653 1.00 0.00 H new ATOM 0 HB2 LYS X 24 59.957 -6.692 -1.341 1.00 0.00 H new ATOM 0 HB3 LYS X 24 59.262 -5.251 -2.055 1.00 0.00 H new ATOM 0 HG2 LYS X 24 57.431 -6.667 -1.546 1.00 0.00 H new ATOM 0 HG3 LYS X 24 57.629 -6.756 -3.285 1.00 0.00 H new ATOM 0 HD2 LYS X 24 58.979 -8.865 -2.973 1.00 0.00 H new ATOM 0 HD3 LYS X 24 58.635 -8.792 -1.256 1.00 0.00 H new ATOM 0 HE2 LYS X 24 56.587 -9.050 -3.494 1.00 0.00 H new ATOM 0 HE3 LYS X 24 57.076 -10.317 -2.387 1.00 0.00 H new ATOM 0 HZ1 LYS X 24 55.021 -9.425 -1.656 1.00 0.00 H new ATOM 0 HZ2 LYS X 24 56.207 -8.919 -0.551 1.00 0.00 H new ATOM 0 HZ3 LYS X 24 55.604 -7.831 -1.706 1.00 0.00 H new ATOM 383 N GLU X 25 59.725 -4.513 -4.724 1.00 0.00 N ATOM 384 CA GLU X 25 59.112 -3.808 -5.825 1.00 0.00 C ATOM 385 C GLU X 25 59.998 -3.816 -7.076 1.00 0.00 C ATOM 386 O GLU X 25 59.499 -3.710 -8.187 1.00 0.00 O ATOM 387 CB GLU X 25 58.603 -2.400 -5.405 1.00 0.00 C ATOM 388 CG GLU X 25 59.619 -1.480 -4.781 1.00 0.00 C ATOM 389 CD GLU X 25 60.468 -0.875 -5.825 1.00 0.00 C ATOM 390 OE1 GLU X 25 59.988 -0.830 -6.976 1.00 0.00 O ATOM 391 OE2 GLU X 25 61.587 -0.462 -5.537 1.00 0.00 O ATOM 0 H GLU X 25 60.171 -3.919 -4.025 1.00 0.00 H new ATOM 0 HA GLU X 25 58.215 -4.356 -6.113 1.00 0.00 H new ATOM 0 HB2 GLU X 25 58.192 -1.908 -6.287 1.00 0.00 H new ATOM 0 HB3 GLU X 25 57.781 -2.530 -4.701 1.00 0.00 H new ATOM 0 HG2 GLU X 25 59.113 -0.698 -4.215 1.00 0.00 H new ATOM 0 HG3 GLU X 25 60.237 -2.035 -4.075 1.00 0.00 H new ATOM 398 N ASN X 26 61.300 -3.968 -6.889 1.00 0.00 N ATOM 399 CA ASN X 26 62.236 -4.073 -8.007 1.00 0.00 C ATOM 400 C ASN X 26 61.966 -5.346 -8.805 1.00 0.00 C ATOM 401 O ASN X 26 61.935 -5.322 -10.045 1.00 0.00 O ATOM 402 CB ASN X 26 63.703 -4.054 -7.521 1.00 0.00 C ATOM 403 CG ASN X 26 64.721 -4.217 -8.657 1.00 0.00 C ATOM 404 OD1 ASN X 26 64.493 -3.796 -9.792 1.00 0.00 O ATOM 405 ND2 ASN X 26 65.842 -4.833 -8.360 1.00 0.00 N ATOM 0 H ASN X 26 61.738 -4.022 -5.969 1.00 0.00 H new ATOM 0 HA ASN X 26 62.083 -3.206 -8.650 1.00 0.00 H new ATOM 0 HB2 ASN X 26 63.895 -3.114 -7.003 1.00 0.00 H new ATOM 0 HB3 ASN X 26 63.848 -4.854 -6.795 1.00 0.00 H new ATOM 0 HD21 ASN X 26 66.552 -4.974 -9.078 1.00 0.00 H new ATOM 0 HD22 ASN X 26 66.002 -5.171 -7.411 1.00 0.00 H new ATOM 412 N VAL X 27 61.745 -6.453 -8.097 1.00 0.00 N ATOM 413 CA VAL X 27 61.466 -7.720 -8.759 1.00 0.00 C ATOM 414 C VAL X 27 60.032 -7.772 -9.291 1.00 0.00 C ATOM 415 O VAL X 27 59.788 -8.329 -10.359 1.00 0.00 O ATOM 416 CB VAL X 27 61.804 -8.974 -7.891 1.00 0.00 C ATOM 417 CG1 VAL X 27 63.292 -9.016 -7.570 1.00 0.00 C ATOM 418 CG2 VAL X 27 60.985 -9.018 -6.610 1.00 0.00 C ATOM 0 H VAL X 27 61.754 -6.496 -7.078 1.00 0.00 H new ATOM 0 HA VAL X 27 62.146 -7.763 -9.610 1.00 0.00 H new ATOM 0 HB VAL X 27 61.542 -9.854 -8.478 1.00 0.00 H new ATOM 0 HG11 VAL X 27 63.509 -9.896 -6.965 1.00 0.00 H new ATOM 0 HG12 VAL X 27 63.863 -9.063 -8.497 1.00 0.00 H new ATOM 0 HG13 VAL X 27 63.571 -8.118 -7.018 1.00 0.00 H new ATOM 0 HG21 VAL X 27 61.252 -9.906 -6.037 1.00 0.00 H new ATOM 0 HG22 VAL X 27 61.191 -8.128 -6.016 1.00 0.00 H new ATOM 0 HG23 VAL X 27 59.924 -9.052 -6.857 1.00 0.00 H new ATOM 428 N ALA X 28 59.092 -7.150 -8.565 1.00 0.00 N ATOM 429 CA ALA X 28 57.698 -7.054 -9.025 1.00 0.00 C ATOM 430 C ALA X 28 57.633 -6.118 -10.233 1.00 0.00 C ATOM 431 O ALA X 28 56.779 -6.263 -11.131 1.00 0.00 O ATOM 432 CB ALA X 28 56.812 -6.535 -7.904 1.00 0.00 C ATOM 0 H ALA X 28 59.269 -6.708 -7.663 1.00 0.00 H new ATOM 0 HA ALA X 28 57.340 -8.042 -9.315 1.00 0.00 H new ATOM 0 HB1 ALA X 28 55.782 -6.468 -8.255 1.00 0.00 H new ATOM 0 HB2 ALA X 28 56.862 -7.217 -7.055 1.00 0.00 H new ATOM 0 HB3 ALA X 28 57.155 -5.547 -7.596 1.00 0.00 H new ATOM 438 N ALA X 29 58.563 -5.181 -10.220 1.00 0.00 N ATOM 439 CA ALA X 29 58.820 -4.187 -11.231 1.00 0.00 C ATOM 440 C ALA X 29 57.841 -3.054 -11.229 1.00 0.00 C ATOM 441 O ALA X 29 56.802 -3.102 -11.895 1.00 0.00 O ATOM 442 CB ALA X 29 59.035 -4.753 -12.619 1.00 0.00 C ATOM 0 H ALA X 29 59.208 -5.094 -9.435 1.00 0.00 H new ATOM 0 HA ALA X 29 59.778 -3.761 -10.934 1.00 0.00 H new ATOM 0 HB1 ALA X 29 59.222 -3.939 -13.319 1.00 0.00 H new ATOM 0 HB2 ALA X 29 59.892 -5.426 -12.609 1.00 0.00 H new ATOM 0 HB3 ALA X 29 58.146 -5.302 -12.930 1.00 0.00 H new ATOM 448 N THR X 30 58.133 -2.061 -10.437 1.00 0.00 N ATOM 449 CA THR X 30 57.364 -0.861 -10.457 1.00 0.00 C ATOM 450 C THR X 30 58.257 0.184 -11.078 1.00 0.00 C ATOM 451 O THR X 30 59.419 -0.118 -11.411 1.00 0.00 O ATOM 452 CB THR X 30 56.943 -0.399 -9.023 1.00 0.00 C ATOM 453 OG1 THR X 30 58.025 0.261 -8.344 1.00 0.00 O ATOM 454 CG2 THR X 30 56.517 -1.588 -8.200 1.00 0.00 C ATOM 0 H THR X 30 58.903 -2.065 -9.768 1.00 0.00 H new ATOM 0 HA THR X 30 56.440 -1.018 -11.013 1.00 0.00 H new ATOM 0 HB THR X 30 56.115 0.301 -9.137 1.00 0.00 H new ATOM 0 HG1 THR X 30 58.537 -0.396 -7.828 1.00 0.00 H new ATOM 0 HG21 THR X 30 56.226 -1.255 -7.204 1.00 0.00 H new ATOM 0 HG22 THR X 30 55.670 -2.079 -8.680 1.00 0.00 H new ATOM 0 HG23 THR X 30 57.346 -2.291 -8.120 1.00 0.00 H new ATOM 462 N ASP X 31 57.762 1.356 -11.293 1.00 0.00 N ATOM 463 CA ASP X 31 58.623 2.422 -11.729 1.00 0.00 C ATOM 464 C ASP X 31 58.303 3.685 -10.974 1.00 0.00 C ATOM 465 O ASP X 31 58.998 4.690 -11.095 1.00 0.00 O ATOM 466 CB ASP X 31 58.603 2.641 -13.254 1.00 0.00 C ATOM 467 CG ASP X 31 57.340 3.284 -13.788 1.00 0.00 C ATOM 468 OD1 ASP X 31 56.372 2.551 -14.134 1.00 0.00 O ATOM 469 OD2 ASP X 31 57.281 4.529 -13.880 1.00 0.00 O ATOM 0 H ASP X 31 56.780 1.606 -11.178 1.00 0.00 H new ATOM 0 HA ASP X 31 59.646 2.125 -11.499 1.00 0.00 H new ATOM 0 HB2 ASP X 31 59.455 3.264 -13.528 1.00 0.00 H new ATOM 0 HB3 ASP X 31 58.740 1.678 -13.747 1.00 0.00 H new ATOM 474 N ASP X 32 57.270 3.620 -10.155 1.00 0.00 N ATOM 475 CA ASP X 32 56.869 4.752 -9.356 1.00 0.00 C ATOM 476 C ASP X 32 57.653 4.769 -8.069 1.00 0.00 C ATOM 477 O ASP X 32 58.483 5.646 -7.858 1.00 0.00 O ATOM 478 CB ASP X 32 55.326 4.788 -9.104 1.00 0.00 C ATOM 479 CG ASP X 32 54.770 3.630 -8.276 1.00 0.00 C ATOM 480 OD1 ASP X 32 55.148 2.458 -8.517 1.00 0.00 O ATOM 481 OD2 ASP X 32 53.977 3.876 -7.346 1.00 0.00 O ATOM 0 H ASP X 32 56.693 2.788 -10.029 1.00 0.00 H new ATOM 0 HA ASP X 32 57.097 5.660 -9.914 1.00 0.00 H new ATOM 0 HB2 ASP X 32 55.079 5.723 -8.602 1.00 0.00 H new ATOM 0 HB3 ASP X 32 54.818 4.800 -10.068 1.00 0.00 H new ATOM 486 N VAL X 33 57.480 3.750 -7.266 1.00 0.00 N ATOM 487 CA VAL X 33 58.125 3.701 -5.982 1.00 0.00 C ATOM 488 C VAL X 33 59.547 3.224 -6.150 1.00 0.00 C ATOM 489 O VAL X 33 60.419 3.619 -5.412 1.00 0.00 O ATOM 490 CB VAL X 33 57.333 2.852 -4.955 1.00 0.00 C ATOM 491 CG1 VAL X 33 57.301 1.383 -5.304 1.00 0.00 C ATOM 492 CG2 VAL X 33 57.807 3.083 -3.532 1.00 0.00 C ATOM 0 H VAL X 33 56.896 2.942 -7.481 1.00 0.00 H new ATOM 0 HA VAL X 33 58.146 4.709 -5.567 1.00 0.00 H new ATOM 0 HB VAL X 33 56.302 3.202 -5.012 1.00 0.00 H new ATOM 0 HG11 VAL X 33 56.732 0.842 -4.548 1.00 0.00 H new ATOM 0 HG12 VAL X 33 56.829 1.250 -6.277 1.00 0.00 H new ATOM 0 HG13 VAL X 33 58.319 0.995 -5.339 1.00 0.00 H new ATOM 0 HG21 VAL X 33 57.222 2.467 -2.849 1.00 0.00 H new ATOM 0 HG22 VAL X 33 58.860 2.815 -3.451 1.00 0.00 H new ATOM 0 HG23 VAL X 33 57.679 4.134 -3.272 1.00 0.00 H new ATOM 502 N LEU X 34 59.762 2.470 -7.211 1.00 0.00 N ATOM 503 CA LEU X 34 61.078 1.980 -7.601 1.00 0.00 C ATOM 504 C LEU X 34 61.985 3.155 -7.805 1.00 0.00 C ATOM 505 O LEU X 34 63.071 3.199 -7.262 1.00 0.00 O ATOM 506 CB LEU X 34 60.898 1.125 -8.893 1.00 0.00 C ATOM 507 CG LEU X 34 62.095 0.497 -9.626 1.00 0.00 C ATOM 508 CD1 LEU X 34 62.842 1.511 -10.447 1.00 0.00 C ATOM 509 CD2 LEU X 34 63.011 -0.249 -8.667 1.00 0.00 C ATOM 0 H LEU X 34 59.016 2.173 -7.840 1.00 0.00 H new ATOM 0 HA LEU X 34 61.532 1.351 -6.835 1.00 0.00 H new ATOM 0 HB2 LEU X 34 60.222 0.309 -8.639 1.00 0.00 H new ATOM 0 HB3 LEU X 34 60.380 1.754 -9.617 1.00 0.00 H new ATOM 0 HG LEU X 34 61.697 -0.240 -10.323 1.00 0.00 H new ATOM 0 HD11 LEU X 34 63.680 1.027 -10.949 1.00 0.00 H new ATOM 0 HD12 LEU X 34 62.172 1.941 -11.192 1.00 0.00 H new ATOM 0 HD13 LEU X 34 63.216 2.302 -9.796 1.00 0.00 H new ATOM 0 HD21 LEU X 34 63.845 -0.679 -9.221 1.00 0.00 H new ATOM 0 HD22 LEU X 34 63.392 0.443 -7.916 1.00 0.00 H new ATOM 0 HD23 LEU X 34 62.452 -1.046 -8.176 1.00 0.00 H new ATOM 521 N ASP X 35 61.495 4.149 -8.511 1.00 0.00 N ATOM 522 CA ASP X 35 62.286 5.360 -8.748 1.00 0.00 C ATOM 523 C ASP X 35 62.615 6.025 -7.466 1.00 0.00 C ATOM 524 O ASP X 35 63.777 6.348 -7.225 1.00 0.00 O ATOM 525 CB ASP X 35 61.582 6.336 -9.664 1.00 0.00 C ATOM 526 CG ASP X 35 62.432 7.540 -10.018 1.00 0.00 C ATOM 527 OD1 ASP X 35 63.472 7.385 -10.700 1.00 0.00 O ATOM 528 OD2 ASP X 35 62.069 8.664 -9.624 1.00 0.00 O ATOM 0 H ASP X 35 60.566 4.155 -8.931 1.00 0.00 H new ATOM 0 HA ASP X 35 63.205 5.045 -9.243 1.00 0.00 H new ATOM 0 HB2 ASP X 35 61.293 5.821 -10.580 1.00 0.00 H new ATOM 0 HB3 ASP X 35 60.663 6.676 -9.186 1.00 0.00 H new ATOM 533 N VAL X 36 61.619 6.147 -6.617 1.00 0.00 N ATOM 534 CA VAL X 36 61.773 6.832 -5.354 1.00 0.00 C ATOM 535 C VAL X 36 62.773 6.153 -4.504 1.00 0.00 C ATOM 536 O VAL X 36 63.703 6.763 -4.047 1.00 0.00 O ATOM 537 CB VAL X 36 60.500 6.747 -4.528 1.00 0.00 C ATOM 538 CG1 VAL X 36 60.627 7.532 -3.283 1.00 0.00 C ATOM 539 CG2 VAL X 36 59.338 7.172 -5.273 1.00 0.00 C ATOM 0 H VAL X 36 60.683 5.776 -6.782 1.00 0.00 H new ATOM 0 HA VAL X 36 62.050 7.855 -5.607 1.00 0.00 H new ATOM 0 HB VAL X 36 60.358 5.697 -4.270 1.00 0.00 H new ATOM 0 HG11 VAL X 36 59.704 7.456 -2.709 1.00 0.00 H new ATOM 0 HG12 VAL X 36 61.456 7.144 -2.691 1.00 0.00 H new ATOM 0 HG13 VAL X 36 60.816 8.577 -3.529 1.00 0.00 H new ATOM 0 HG21 VAL X 36 58.453 7.094 -4.642 1.00 0.00 H new ATOM 0 HG22 VAL X 36 59.468 8.207 -5.590 1.00 0.00 H new ATOM 0 HG23 VAL X 36 59.216 6.536 -6.150 1.00 0.00 H new ATOM 549 N LEU X 37 62.609 4.880 -4.370 1.00 0.00 N ATOM 550 CA LEU X 37 63.387 4.124 -3.465 1.00 0.00 C ATOM 551 C LEU X 37 64.790 4.064 -3.901 1.00 0.00 C ATOM 552 O LEU X 37 65.692 4.224 -3.099 1.00 0.00 O ATOM 553 CB LEU X 37 62.834 2.759 -3.320 1.00 0.00 C ATOM 554 CG LEU X 37 61.383 2.674 -2.798 1.00 0.00 C ATOM 555 CD1 LEU X 37 60.897 1.238 -2.733 1.00 0.00 C ATOM 556 CD2 LEU X 37 61.257 3.330 -1.425 1.00 0.00 C ATOM 0 H LEU X 37 61.923 4.336 -4.893 1.00 0.00 H new ATOM 0 HA LEU X 37 63.353 4.619 -2.495 1.00 0.00 H new ATOM 0 HB2 LEU X 37 62.881 2.263 -4.290 1.00 0.00 H new ATOM 0 HB3 LEU X 37 63.477 2.197 -2.643 1.00 0.00 H new ATOM 0 HG LEU X 37 60.754 3.215 -3.505 1.00 0.00 H new ATOM 0 HD11 LEU X 37 59.873 1.217 -2.361 1.00 0.00 H new ATOM 0 HD12 LEU X 37 60.931 0.797 -3.729 1.00 0.00 H new ATOM 0 HD13 LEU X 37 61.538 0.667 -2.062 1.00 0.00 H new ATOM 0 HD21 LEU X 37 60.226 3.257 -1.080 1.00 0.00 H new ATOM 0 HD22 LEU X 37 61.913 2.823 -0.718 1.00 0.00 H new ATOM 0 HD23 LEU X 37 61.542 4.380 -1.496 1.00 0.00 H new ATOM 568 N LEU X 38 64.971 3.880 -5.174 1.00 0.00 N ATOM 569 CA LEU X 38 66.266 3.834 -5.747 1.00 0.00 C ATOM 570 C LEU X 38 67.037 5.126 -5.503 1.00 0.00 C ATOM 571 O LEU X 38 68.164 5.091 -5.004 1.00 0.00 O ATOM 572 CB LEU X 38 66.158 3.526 -7.229 1.00 0.00 C ATOM 573 CG LEU X 38 65.760 2.094 -7.614 1.00 0.00 C ATOM 574 CD1 LEU X 38 65.964 1.870 -9.084 1.00 0.00 C ATOM 575 CD2 LEU X 38 66.487 1.034 -6.791 1.00 0.00 C ATOM 0 H LEU X 38 64.211 3.757 -5.844 1.00 0.00 H new ATOM 0 HA LEU X 38 66.830 3.037 -5.262 1.00 0.00 H new ATOM 0 HB2 LEU X 38 65.429 4.209 -7.665 1.00 0.00 H new ATOM 0 HB3 LEU X 38 67.120 3.747 -7.692 1.00 0.00 H new ATOM 0 HG LEU X 38 64.700 1.986 -7.384 1.00 0.00 H new ATOM 0 HD11 LEU X 38 65.677 0.850 -9.340 1.00 0.00 H new ATOM 0 HD12 LEU X 38 65.350 2.572 -9.648 1.00 0.00 H new ATOM 0 HD13 LEU X 38 67.014 2.025 -9.333 1.00 0.00 H new ATOM 0 HD21 LEU X 38 66.164 0.042 -7.108 1.00 0.00 H new ATOM 0 HD22 LEU X 38 67.562 1.131 -6.941 1.00 0.00 H new ATOM 0 HD23 LEU X 38 66.254 1.170 -5.735 1.00 0.00 H new ATOM 587 N GLU X 39 66.424 6.261 -5.799 1.00 0.00 N ATOM 588 CA GLU X 39 67.084 7.529 -5.564 1.00 0.00 C ATOM 589 C GLU X 39 67.189 7.879 -4.085 1.00 0.00 C ATOM 590 O GLU X 39 68.189 8.436 -3.644 1.00 0.00 O ATOM 591 CB GLU X 39 66.497 8.681 -6.366 1.00 0.00 C ATOM 592 CG GLU X 39 65.005 8.902 -6.234 1.00 0.00 C ATOM 593 CD GLU X 39 64.607 10.279 -6.647 1.00 0.00 C ATOM 594 OE1 GLU X 39 64.630 10.585 -7.848 1.00 0.00 O ATOM 595 OE2 GLU X 39 64.273 11.099 -5.771 1.00 0.00 O ATOM 0 H GLU X 39 65.487 6.328 -6.196 1.00 0.00 H new ATOM 0 HA GLU X 39 68.099 7.382 -5.934 1.00 0.00 H new ATOM 0 HB2 GLU X 39 67.006 9.598 -6.069 1.00 0.00 H new ATOM 0 HB3 GLU X 39 66.726 8.516 -7.419 1.00 0.00 H new ATOM 0 HG2 GLU X 39 64.475 8.172 -6.846 1.00 0.00 H new ATOM 0 HG3 GLU X 39 64.703 8.732 -5.201 1.00 0.00 H new ATOM 602 N HIS X 40 66.170 7.533 -3.332 1.00 0.00 N ATOM 603 CA HIS X 40 66.103 7.839 -1.918 1.00 0.00 C ATOM 604 C HIS X 40 67.185 7.080 -1.182 1.00 0.00 C ATOM 605 O HIS X 40 67.816 7.603 -0.288 1.00 0.00 O ATOM 606 CB HIS X 40 64.705 7.513 -1.375 1.00 0.00 C ATOM 607 CG HIS X 40 64.358 8.193 -0.088 1.00 0.00 C ATOM 608 ND1 HIS X 40 63.418 9.197 0.011 1.00 0.00 N ATOM 609 CD2 HIS X 40 64.821 7.995 1.165 1.00 0.00 C ATOM 610 CE1 HIS X 40 63.344 9.566 1.284 1.00 0.00 C ATOM 611 NE2 HIS X 40 64.174 8.869 2.028 1.00 0.00 N ATOM 0 H HIS X 40 65.357 7.027 -3.685 1.00 0.00 H new ATOM 0 HA HIS X 40 66.275 8.904 -1.761 1.00 0.00 H new ATOM 0 HB2 HIS X 40 63.965 7.789 -2.126 1.00 0.00 H new ATOM 0 HB3 HIS X 40 64.628 6.435 -1.233 1.00 0.00 H new ATOM 0 HD2 HIS X 40 65.573 7.274 1.450 1.00 0.00 H new ATOM 0 HE1 HIS X 40 62.688 10.338 1.659 1.00 0.00 H new ATOM 0 HE2 HIS X 40 64.314 8.953 3.035 1.00 0.00 H new ATOM 619 N PHE X 41 67.411 5.875 -1.601 1.00 0.00 N ATOM 620 CA PHE X 41 68.464 5.055 -1.079 1.00 0.00 C ATOM 621 C PHE X 41 69.840 5.679 -1.354 1.00 0.00 C ATOM 622 O PHE X 41 70.656 5.848 -0.447 1.00 0.00 O ATOM 623 CB PHE X 41 68.344 3.670 -1.692 1.00 0.00 C ATOM 624 CG PHE X 41 69.553 2.810 -1.568 1.00 0.00 C ATOM 625 CD1 PHE X 41 69.934 2.294 -0.356 1.00 0.00 C ATOM 626 CD2 PHE X 41 70.314 2.524 -2.676 1.00 0.00 C ATOM 627 CE1 PHE X 41 71.055 1.498 -0.251 1.00 0.00 C ATOM 628 CE2 PHE X 41 71.426 1.736 -2.567 1.00 0.00 C ATOM 629 CZ PHE X 41 71.798 1.221 -1.361 1.00 0.00 C ATOM 0 H PHE X 41 66.859 5.423 -2.330 1.00 0.00 H new ATOM 0 HA PHE X 41 68.370 4.978 0.004 1.00 0.00 H new ATOM 0 HB2 PHE X 41 67.504 3.156 -1.225 1.00 0.00 H new ATOM 0 HB3 PHE X 41 68.103 3.779 -2.749 1.00 0.00 H new ATOM 0 HD1 PHE X 41 69.350 2.513 0.526 1.00 0.00 H new ATOM 0 HD2 PHE X 41 70.032 2.924 -3.639 1.00 0.00 H new ATOM 0 HE1 PHE X 41 71.344 1.095 0.708 1.00 0.00 H new ATOM 0 HE2 PHE X 41 72.016 1.519 -3.445 1.00 0.00 H new ATOM 0 HZ PHE X 41 72.676 0.597 -1.285 1.00 0.00 H new ATOM 639 N VAL X 42 70.096 6.027 -2.583 1.00 0.00 N ATOM 640 CA VAL X 42 71.372 6.613 -2.932 1.00 0.00 C ATOM 641 C VAL X 42 71.596 7.992 -2.332 1.00 0.00 C ATOM 642 O VAL X 42 72.689 8.321 -1.982 1.00 0.00 O ATOM 643 CB VAL X 42 71.704 6.519 -4.441 1.00 0.00 C ATOM 644 CG1 VAL X 42 70.660 7.093 -5.309 1.00 0.00 C ATOM 645 CG2 VAL X 42 73.063 7.062 -4.792 1.00 0.00 C ATOM 0 H VAL X 42 69.446 5.919 -3.361 1.00 0.00 H new ATOM 0 HA VAL X 42 72.116 5.982 -2.447 1.00 0.00 H new ATOM 0 HB VAL X 42 71.730 5.448 -4.643 1.00 0.00 H new ATOM 0 HG11 VAL X 42 70.959 6.993 -6.352 1.00 0.00 H new ATOM 0 HG12 VAL X 42 69.721 6.563 -5.148 1.00 0.00 H new ATOM 0 HG13 VAL X 42 70.527 8.148 -5.069 1.00 0.00 H new ATOM 0 HG21 VAL X 42 73.228 6.964 -5.865 1.00 0.00 H new ATOM 0 HG22 VAL X 42 73.118 8.114 -4.511 1.00 0.00 H new ATOM 0 HG23 VAL X 42 73.828 6.502 -4.254 1.00 0.00 H new ATOM 655 N LYS X 43 70.566 8.751 -2.172 1.00 0.00 N ATOM 656 CA LYS X 43 70.708 10.099 -1.576 1.00 0.00 C ATOM 657 C LYS X 43 71.086 10.033 -0.075 1.00 0.00 C ATOM 658 O LYS X 43 71.750 10.928 0.443 1.00 0.00 O ATOM 659 CB LYS X 43 69.430 10.944 -1.763 1.00 0.00 C ATOM 660 CG LYS X 43 68.276 10.515 -0.855 1.00 0.00 C ATOM 661 CD LYS X 43 66.958 11.193 -1.189 1.00 0.00 C ATOM 662 CE LYS X 43 66.982 12.679 -0.907 1.00 0.00 C ATOM 663 NZ LYS X 43 65.644 13.274 -1.062 1.00 0.00 N ATOM 0 H LYS X 43 69.614 8.494 -2.432 1.00 0.00 H new ATOM 0 HA LYS X 43 71.524 10.586 -2.110 1.00 0.00 H new ATOM 0 HB2 LYS X 43 69.665 11.991 -1.569 1.00 0.00 H new ATOM 0 HB3 LYS X 43 69.108 10.877 -2.802 1.00 0.00 H new ATOM 0 HG2 LYS X 43 68.149 9.435 -0.928 1.00 0.00 H new ATOM 0 HG3 LYS X 43 68.537 10.736 0.180 1.00 0.00 H new ATOM 0 HD2 LYS X 43 66.726 11.030 -2.242 1.00 0.00 H new ATOM 0 HD3 LYS X 43 66.158 10.730 -0.611 1.00 0.00 H new ATOM 0 HE2 LYS X 43 67.345 12.853 0.106 1.00 0.00 H new ATOM 0 HE3 LYS X 43 67.681 13.169 -1.585 1.00 0.00 H new ATOM 0 HZ1 LYS X 43 65.692 14.293 -0.862 1.00 0.00 H new ATOM 0 HZ2 LYS X 43 65.310 13.127 -2.036 1.00 0.00 H new ATOM 0 HZ3 LYS X 43 64.984 12.822 -0.398 1.00 0.00 H new ATOM 677 N ILE X 44 70.659 8.994 0.608 1.00 0.00 N ATOM 678 CA ILE X 44 70.959 8.857 2.021 1.00 0.00 C ATOM 679 C ILE X 44 72.338 8.235 2.247 1.00 0.00 C ATOM 680 O ILE X 44 73.097 8.706 3.091 1.00 0.00 O ATOM 681 CB ILE X 44 69.838 8.096 2.793 1.00 0.00 C ATOM 682 CG1 ILE X 44 69.520 6.776 2.092 1.00 0.00 C ATOM 683 CG2 ILE X 44 68.594 8.970 2.908 1.00 0.00 C ATOM 684 CD1 ILE X 44 68.374 5.993 2.652 1.00 0.00 C ATOM 0 H ILE X 44 70.106 8.234 0.213 1.00 0.00 H new ATOM 0 HA ILE X 44 70.989 9.864 2.437 1.00 0.00 H new ATOM 0 HB ILE X 44 70.188 7.870 3.800 1.00 0.00 H new ATOM 0 HG12 ILE X 44 69.312 6.986 1.043 1.00 0.00 H new ATOM 0 HG13 ILE X 44 70.411 6.149 2.121 1.00 0.00 H new ATOM 0 HG21 ILE X 44 67.818 8.429 3.449 1.00 0.00 H new ATOM 0 HG22 ILE X 44 68.841 9.885 3.447 1.00 0.00 H new ATOM 0 HG23 ILE X 44 68.233 9.222 1.911 1.00 0.00 H new ATOM 0 HD11 ILE X 44 68.242 5.078 2.075 1.00 0.00 H new ATOM 0 HD12 ILE X 44 68.580 5.740 3.692 1.00 0.00 H new ATOM 0 HD13 ILE X 44 67.464 6.590 2.597 1.00 0.00 H new ATOM 696 N THR X 45 72.687 7.212 1.475 1.00 0.00 N ATOM 697 CA THR X 45 73.996 6.601 1.622 1.00 0.00 C ATOM 698 C THR X 45 75.063 7.358 0.830 1.00 0.00 C ATOM 699 O THR X 45 76.252 7.344 1.205 1.00 0.00 O ATOM 700 CB THR X 45 74.023 5.089 1.253 1.00 0.00 C ATOM 701 OG1 THR X 45 75.359 4.593 1.371 1.00 0.00 O ATOM 702 CG2 THR X 45 73.525 4.838 -0.163 1.00 0.00 C ATOM 0 H THR X 45 72.094 6.797 0.756 1.00 0.00 H new ATOM 0 HA THR X 45 74.227 6.670 2.685 1.00 0.00 H new ATOM 0 HB THR X 45 73.357 4.570 1.943 1.00 0.00 H new ATOM 0 HG1 THR X 45 75.784 4.983 2.164 1.00 0.00 H new ATOM 0 HG21 THR X 45 73.561 3.770 -0.377 1.00 0.00 H new ATOM 0 HG22 THR X 45 72.498 5.192 -0.256 1.00 0.00 H new ATOM 0 HG23 THR X 45 74.158 5.372 -0.871 1.00 0.00 H new ATOM 710 N GLU X 46 74.632 8.000 -0.256 1.00 0.00 N ATOM 711 CA GLU X 46 75.467 8.799 -1.166 1.00 0.00 C ATOM 712 C GLU X 46 76.526 7.957 -1.850 1.00 0.00 C ATOM 713 O GLU X 46 77.552 8.461 -2.300 1.00 0.00 O ATOM 714 CB GLU X 46 76.051 9.974 -0.442 1.00 0.00 C ATOM 715 CG GLU X 46 75.008 10.881 0.128 1.00 0.00 C ATOM 716 CD GLU X 46 75.617 11.993 0.904 1.00 0.00 C ATOM 717 OE1 GLU X 46 76.095 11.740 2.032 1.00 0.00 O ATOM 718 OE2 GLU X 46 75.651 13.129 0.418 1.00 0.00 O ATOM 0 H GLU X 46 73.653 7.980 -0.541 1.00 0.00 H new ATOM 0 HA GLU X 46 74.830 9.184 -1.962 1.00 0.00 H new ATOM 0 HB2 GLU X 46 76.694 9.616 0.362 1.00 0.00 H new ATOM 0 HB3 GLU X 46 76.683 10.540 -1.127 1.00 0.00 H new ATOM 0 HG2 GLU X 46 74.400 11.290 -0.679 1.00 0.00 H new ATOM 0 HG3 GLU X 46 74.340 10.309 0.773 1.00 0.00 H new ATOM 725 N HIS X 47 76.226 6.684 -1.974 1.00 0.00 N ATOM 726 CA HIS X 47 77.103 5.745 -2.621 1.00 0.00 C ATOM 727 C HIS X 47 76.995 6.000 -4.133 1.00 0.00 C ATOM 728 O HIS X 47 75.899 6.094 -4.641 1.00 0.00 O ATOM 729 CB HIS X 47 76.651 4.307 -2.282 1.00 0.00 C ATOM 730 CG HIS X 47 77.648 3.253 -2.646 1.00 0.00 C ATOM 731 ND1 HIS X 47 77.599 2.484 -3.783 1.00 0.00 N ATOM 732 CD2 HIS X 47 78.759 2.879 -2.001 1.00 0.00 C ATOM 733 CE1 HIS X 47 78.681 1.700 -3.786 1.00 0.00 C ATOM 734 NE2 HIS X 47 79.412 1.899 -2.725 1.00 0.00 N ATOM 0 H HIS X 47 75.360 6.272 -1.625 1.00 0.00 H new ATOM 0 HA HIS X 47 78.134 5.864 -2.288 1.00 0.00 H new ATOM 0 HB2 HIS X 47 76.446 4.244 -1.213 1.00 0.00 H new ATOM 0 HB3 HIS X 47 75.714 4.100 -2.799 1.00 0.00 H new ATOM 0 HD2 HIS X 47 79.095 3.282 -1.057 1.00 0.00 H new ATOM 0 HE1 HIS X 47 78.919 0.993 -4.567 1.00 0.00 H new ATOM 0 HE2 HIS X 47 80.284 1.430 -2.480 1.00 0.00 H new ATOM 742 N PRO X 48 78.105 6.066 -4.882 1.00 0.00 N ATOM 743 CA PRO X 48 78.085 6.434 -6.317 1.00 0.00 C ATOM 744 C PRO X 48 77.463 5.367 -7.163 1.00 0.00 C ATOM 745 O PRO X 48 77.087 5.588 -8.317 1.00 0.00 O ATOM 746 CB PRO X 48 79.555 6.488 -6.683 1.00 0.00 C ATOM 747 CG PRO X 48 80.282 6.558 -5.418 1.00 0.00 C ATOM 748 CD PRO X 48 79.468 5.765 -4.452 1.00 0.00 C ATOM 0 HA PRO X 48 77.521 7.353 -6.478 1.00 0.00 H new ATOM 0 HB2 PRO X 48 79.848 5.606 -7.253 1.00 0.00 H new ATOM 0 HB3 PRO X 48 79.771 7.356 -7.306 1.00 0.00 H new ATOM 0 HG2 PRO X 48 81.286 6.145 -5.518 1.00 0.00 H new ATOM 0 HG3 PRO X 48 80.393 7.590 -5.085 1.00 0.00 H new ATOM 0 HD2 PRO X 48 79.688 4.699 -4.512 1.00 0.00 H new ATOM 0 HD3 PRO X 48 79.647 6.070 -3.421 1.00 0.00 H new ATOM 756 N ASP X 49 77.329 4.232 -6.575 1.00 0.00 N ATOM 757 CA ASP X 49 76.886 3.085 -7.240 1.00 0.00 C ATOM 758 C ASP X 49 75.702 2.593 -6.445 1.00 0.00 C ATOM 759 O ASP X 49 75.457 1.403 -6.343 1.00 0.00 O ATOM 760 CB ASP X 49 77.973 1.986 -7.248 1.00 0.00 C ATOM 761 CG ASP X 49 79.326 2.425 -7.781 1.00 0.00 C ATOM 762 OD1 ASP X 49 80.175 2.884 -6.977 1.00 0.00 O ATOM 763 OD2 ASP X 49 79.591 2.282 -8.992 1.00 0.00 O ATOM 0 H ASP X 49 77.534 4.084 -5.587 1.00 0.00 H new ATOM 0 HA ASP X 49 76.641 3.310 -8.278 1.00 0.00 H new ATOM 0 HB2 ASP X 49 78.103 1.617 -6.231 1.00 0.00 H new ATOM 0 HB3 ASP X 49 77.617 1.149 -7.848 1.00 0.00 H new ATOM 768 N GLY X 50 75.016 3.553 -5.814 1.00 0.00 N ATOM 769 CA GLY X 50 73.868 3.292 -4.961 1.00 0.00 C ATOM 770 C GLY X 50 72.885 2.415 -5.579 1.00 0.00 C ATOM 771 O GLY X 50 72.652 1.303 -5.112 1.00 0.00 O ATOM 0 H GLY X 50 75.251 4.543 -5.887 1.00 0.00 H new ATOM 0 HA2 GLY X 50 74.210 2.844 -4.028 1.00 0.00 H new ATOM 0 HA3 GLY X 50 73.391 4.238 -4.704 1.00 0.00 H new ATOM 775 N THR X 51 72.418 2.821 -6.673 1.00 0.00 N ATOM 776 CA THR X 51 71.339 2.121 -7.276 1.00 0.00 C ATOM 777 C THR X 51 71.844 0.795 -7.863 1.00 0.00 C ATOM 778 O THR X 51 71.129 -0.221 -7.861 1.00 0.00 O ATOM 779 CB THR X 51 70.646 2.978 -8.328 1.00 0.00 C ATOM 780 OG1 THR X 51 70.667 4.364 -7.893 1.00 0.00 O ATOM 781 CG2 THR X 51 69.211 2.549 -8.406 1.00 0.00 C ATOM 0 H THR X 51 72.753 3.636 -7.187 1.00 0.00 H new ATOM 0 HA THR X 51 70.594 1.895 -6.513 1.00 0.00 H new ATOM 0 HB THR X 51 71.146 2.870 -9.290 1.00 0.00 H new ATOM 0 HG1 THR X 51 70.225 4.924 -8.564 1.00 0.00 H new ATOM 0 HG21 THR X 51 68.692 3.149 -9.154 1.00 0.00 H new ATOM 0 HG22 THR X 51 69.161 1.497 -8.686 1.00 0.00 H new ATOM 0 HG23 THR X 51 68.736 2.689 -7.435 1.00 0.00 H new ATOM 789 N ALA X 52 73.115 0.800 -8.259 1.00 0.00 N ATOM 790 CA ALA X 52 73.785 -0.364 -8.786 1.00 0.00 C ATOM 791 C ALA X 52 73.820 -1.474 -7.754 1.00 0.00 C ATOM 792 O ALA X 52 73.570 -2.625 -8.092 1.00 0.00 O ATOM 793 CB ALA X 52 75.185 -0.010 -9.226 1.00 0.00 C ATOM 0 H ALA X 52 73.708 1.629 -8.218 1.00 0.00 H new ATOM 0 HA ALA X 52 73.227 -0.719 -9.652 1.00 0.00 H new ATOM 0 HB1 ALA X 52 75.678 -0.898 -9.621 1.00 0.00 H new ATOM 0 HB2 ALA X 52 75.140 0.755 -10.001 1.00 0.00 H new ATOM 0 HB3 ALA X 52 75.749 0.369 -8.374 1.00 0.00 H new ATOM 799 N LEU X 53 74.091 -1.115 -6.492 1.00 0.00 N ATOM 800 CA LEU X 53 74.115 -2.085 -5.390 1.00 0.00 C ATOM 801 C LEU X 53 72.795 -2.824 -5.245 1.00 0.00 C ATOM 802 O LEU X 53 72.779 -4.034 -5.101 1.00 0.00 O ATOM 803 CB LEU X 53 74.507 -1.441 -4.059 1.00 0.00 C ATOM 804 CG LEU X 53 75.940 -0.906 -3.968 1.00 0.00 C ATOM 805 CD1 LEU X 53 76.250 -0.514 -2.550 1.00 0.00 C ATOM 806 CD2 LEU X 53 76.957 -1.925 -4.472 1.00 0.00 C ATOM 0 H LEU X 53 74.297 -0.157 -6.209 1.00 0.00 H new ATOM 0 HA LEU X 53 74.883 -2.812 -5.653 1.00 0.00 H new ATOM 0 HB2 LEU X 53 73.820 -0.619 -3.860 1.00 0.00 H new ATOM 0 HB3 LEU X 53 74.363 -2.175 -3.266 1.00 0.00 H new ATOM 0 HG LEU X 53 76.012 -0.028 -4.610 1.00 0.00 H new ATOM 0 HD11 LEU X 53 77.270 -0.135 -2.492 1.00 0.00 H new ATOM 0 HD12 LEU X 53 75.556 0.261 -2.227 1.00 0.00 H new ATOM 0 HD13 LEU X 53 76.149 -1.384 -1.902 1.00 0.00 H new ATOM 0 HD21 LEU X 53 77.961 -1.508 -4.391 1.00 0.00 H new ATOM 0 HD22 LEU X 53 76.891 -2.832 -3.871 1.00 0.00 H new ATOM 0 HD23 LEU X 53 76.746 -2.164 -5.514 1.00 0.00 H new ATOM 818 N ILE X 54 71.686 -2.107 -5.341 1.00 0.00 N ATOM 819 CA ILE X 54 70.364 -2.760 -5.204 1.00 0.00 C ATOM 820 C ILE X 54 70.127 -3.705 -6.369 1.00 0.00 C ATOM 821 O ILE X 54 69.656 -4.844 -6.201 1.00 0.00 O ATOM 822 CB ILE X 54 69.196 -1.739 -5.079 1.00 0.00 C ATOM 823 CG1 ILE X 54 69.236 -1.045 -3.716 1.00 0.00 C ATOM 824 CG2 ILE X 54 67.828 -2.414 -5.293 1.00 0.00 C ATOM 825 CD1 ILE X 54 68.205 0.030 -3.571 1.00 0.00 C ATOM 0 H ILE X 54 71.657 -1.101 -5.508 1.00 0.00 H new ATOM 0 HA ILE X 54 70.380 -3.327 -4.273 1.00 0.00 H new ATOM 0 HB ILE X 54 69.326 -0.992 -5.862 1.00 0.00 H new ATOM 0 HG12 ILE X 54 69.089 -1.788 -2.933 1.00 0.00 H new ATOM 0 HG13 ILE X 54 70.225 -0.613 -3.564 1.00 0.00 H new ATOM 0 HG21 ILE X 54 67.037 -1.670 -5.198 1.00 0.00 H new ATOM 0 HG22 ILE X 54 67.793 -2.857 -6.288 1.00 0.00 H new ATOM 0 HG23 ILE X 54 67.685 -3.193 -4.544 1.00 0.00 H new ATOM 0 HD11 ILE X 54 68.287 0.482 -2.583 1.00 0.00 H new ATOM 0 HD12 ILE X 54 68.365 0.793 -4.333 1.00 0.00 H new ATOM 0 HD13 ILE X 54 67.211 -0.401 -3.692 1.00 0.00 H new ATOM 837 N TYR X 55 70.492 -3.236 -7.532 1.00 0.00 N ATOM 838 CA TYR X 55 70.375 -3.994 -8.739 1.00 0.00 C ATOM 839 C TYR X 55 71.225 -5.263 -8.704 1.00 0.00 C ATOM 840 O TYR X 55 70.741 -6.347 -9.037 1.00 0.00 O ATOM 841 CB TYR X 55 70.729 -3.135 -9.937 1.00 0.00 C ATOM 842 CG TYR X 55 69.593 -2.287 -10.462 1.00 0.00 C ATOM 843 CD1 TYR X 55 68.464 -2.879 -11.001 1.00 0.00 C ATOM 844 CD2 TYR X 55 69.646 -0.903 -10.420 1.00 0.00 C ATOM 845 CE1 TYR X 55 67.422 -2.125 -11.485 1.00 0.00 C ATOM 846 CE2 TYR X 55 68.608 -0.133 -10.904 1.00 0.00 C ATOM 847 CZ TYR X 55 67.491 -0.753 -11.439 1.00 0.00 C ATOM 848 OH TYR X 55 66.441 0.001 -11.935 1.00 0.00 O ATOM 0 H TYR X 55 70.884 -2.304 -7.665 1.00 0.00 H new ATOM 0 HA TYR X 55 69.336 -4.311 -8.830 1.00 0.00 H new ATOM 0 HB2 TYR X 55 71.558 -2.481 -9.666 1.00 0.00 H new ATOM 0 HB3 TYR X 55 71.083 -3.782 -10.740 1.00 0.00 H new ATOM 0 HD1 TYR X 55 68.401 -3.956 -11.042 1.00 0.00 H new ATOM 0 HD2 TYR X 55 70.515 -0.418 -10.001 1.00 0.00 H new ATOM 0 HE1 TYR X 55 66.551 -2.609 -11.901 1.00 0.00 H new ATOM 0 HE2 TYR X 55 68.666 0.945 -10.866 1.00 0.00 H new ATOM 0 HH TYR X 55 66.643 0.954 -11.828 1.00 0.00 H new ATOM 858 N GLU X 56 72.467 -5.139 -8.264 1.00 0.00 N ATOM 859 CA GLU X 56 73.351 -6.280 -8.211 1.00 0.00 C ATOM 860 C GLU X 56 72.905 -7.259 -7.154 1.00 0.00 C ATOM 861 O GLU X 56 72.979 -8.451 -7.362 1.00 0.00 O ATOM 862 CB GLU X 56 74.847 -5.885 -8.108 1.00 0.00 C ATOM 863 CG GLU X 56 75.266 -5.105 -6.869 1.00 0.00 C ATOM 864 CD GLU X 56 75.808 -5.986 -5.762 1.00 0.00 C ATOM 865 OE1 GLU X 56 76.979 -6.395 -5.844 1.00 0.00 O ATOM 866 OE2 GLU X 56 75.107 -6.265 -4.788 1.00 0.00 O ATOM 0 H GLU X 56 72.879 -4.263 -7.941 1.00 0.00 H new ATOM 0 HA GLU X 56 73.276 -6.798 -9.167 1.00 0.00 H new ATOM 0 HB2 GLU X 56 75.443 -6.796 -8.154 1.00 0.00 H new ATOM 0 HB3 GLU X 56 75.103 -5.292 -8.986 1.00 0.00 H new ATOM 0 HG2 GLU X 56 76.026 -4.375 -7.148 1.00 0.00 H new ATOM 0 HG3 GLU X 56 74.409 -4.546 -6.493 1.00 0.00 H new ATOM 873 N ALA X 57 72.391 -6.745 -6.043 1.00 0.00 N ATOM 874 CA ALA X 57 71.887 -7.577 -4.959 1.00 0.00 C ATOM 875 C ALA X 57 70.800 -8.506 -5.455 1.00 0.00 C ATOM 876 O ALA X 57 70.837 -9.705 -5.198 1.00 0.00 O ATOM 877 CB ALA X 57 71.346 -6.720 -3.837 1.00 0.00 C ATOM 0 H ALA X 57 72.312 -5.743 -5.869 1.00 0.00 H new ATOM 0 HA ALA X 57 72.718 -8.174 -4.583 1.00 0.00 H new ATOM 0 HB1 ALA X 57 70.974 -7.360 -3.037 1.00 0.00 H new ATOM 0 HB2 ALA X 57 72.141 -6.081 -3.451 1.00 0.00 H new ATOM 0 HB3 ALA X 57 70.532 -6.100 -4.213 1.00 0.00 H new ATOM 1025 N GLY X 71 71.678 -9.474 -1.543 1.00 0.00 N ATOM 1026 CA GLY X 71 70.584 -9.263 -0.679 1.00 0.00 C ATOM 1027 C GLY X 71 70.614 -7.938 0.025 1.00 0.00 C ATOM 1028 O GLY X 71 71.669 -7.285 0.126 1.00 0.00 O ATOM 0 HA2 GLY X 71 69.660 -9.338 -1.253 1.00 0.00 H new ATOM 0 HA3 GLY X 71 70.562 -10.059 0.065 1.00 0.00 H new ATOM 1032 N PRO X 72 69.458 -7.541 0.548 1.00 0.00 N ATOM 1033 CA PRO X 72 69.245 -6.262 1.228 1.00 0.00 C ATOM 1034 C PRO X 72 70.120 -6.067 2.475 1.00 0.00 C ATOM 1035 O PRO X 72 70.456 -4.957 2.830 1.00 0.00 O ATOM 1036 CB PRO X 72 67.762 -6.302 1.608 1.00 0.00 C ATOM 1037 CG PRO X 72 67.375 -7.735 1.531 1.00 0.00 C ATOM 1038 CD PRO X 72 68.226 -8.332 0.478 1.00 0.00 C ATOM 0 HA PRO X 72 69.519 -5.426 0.584 1.00 0.00 H new ATOM 0 HB2 PRO X 72 67.602 -5.905 2.610 1.00 0.00 H new ATOM 0 HB3 PRO X 72 67.165 -5.696 0.926 1.00 0.00 H new ATOM 0 HG2 PRO X 72 67.531 -8.233 2.488 1.00 0.00 H new ATOM 0 HG3 PRO X 72 66.318 -7.841 1.285 1.00 0.00 H new ATOM 0 HD2 PRO X 72 68.416 -9.389 0.666 1.00 0.00 H new ATOM 0 HD3 PRO X 72 67.759 -8.262 -0.504 1.00 0.00 H new ATOM 1046 N GLU X 73 70.474 -7.144 3.124 1.00 0.00 N ATOM 1047 CA GLU X 73 71.326 -7.097 4.301 1.00 0.00 C ATOM 1048 C GLU X 73 72.774 -7.340 3.914 1.00 0.00 C ATOM 1049 O GLU X 73 73.650 -7.414 4.775 1.00 0.00 O ATOM 1050 CB GLU X 73 70.862 -8.100 5.346 1.00 0.00 C ATOM 1051 CG GLU X 73 69.402 -7.936 5.708 1.00 0.00 C ATOM 1052 CD GLU X 73 68.934 -8.868 6.781 1.00 0.00 C ATOM 1053 OE1 GLU X 73 69.656 -9.819 7.128 1.00 0.00 O ATOM 1054 OE2 GLU X 73 67.830 -8.657 7.291 1.00 0.00 O ATOM 0 H GLU X 73 70.183 -8.085 2.858 1.00 0.00 H new ATOM 0 HA GLU X 73 71.253 -6.103 4.742 1.00 0.00 H new ATOM 0 HB2 GLU X 73 71.028 -9.110 4.972 1.00 0.00 H new ATOM 0 HB3 GLU X 73 71.469 -7.989 6.244 1.00 0.00 H new ATOM 0 HG2 GLU X 73 69.232 -6.909 6.033 1.00 0.00 H new ATOM 0 HG3 GLU X 73 68.797 -8.093 4.815 1.00 0.00 H new ATOM 1061 N GLY X 74 73.031 -7.505 2.645 1.00 0.00 N ATOM 1062 CA GLY X 74 74.392 -7.615 2.233 1.00 0.00 C ATOM 1063 C GLY X 74 74.889 -6.350 1.620 1.00 0.00 C ATOM 1064 O GLY X 74 76.031 -5.947 1.858 1.00 0.00 O ATOM 0 H GLY X 74 72.335 -7.564 1.902 1.00 0.00 H new ATOM 0 HA2 GLY X 74 75.012 -7.871 3.092 1.00 0.00 H new ATOM 0 HA3 GLY X 74 74.490 -8.430 1.515 1.00 0.00 H new ATOM 1068 N ILE X 75 74.026 -5.686 0.868 1.00 0.00 N ATOM 1069 CA ILE X 75 74.351 -4.372 0.310 1.00 0.00 C ATOM 1070 C ILE X 75 74.689 -3.389 1.406 1.00 0.00 C ATOM 1071 O ILE X 75 75.522 -2.532 1.230 1.00 0.00 O ATOM 1072 CB ILE X 75 73.207 -3.786 -0.537 1.00 0.00 C ATOM 1073 CG1 ILE X 75 71.872 -3.929 0.182 1.00 0.00 C ATOM 1074 CG2 ILE X 75 73.172 -4.409 -1.894 1.00 0.00 C ATOM 1075 CD1 ILE X 75 70.691 -3.376 -0.561 1.00 0.00 C ATOM 0 H ILE X 75 73.096 -6.029 0.627 1.00 0.00 H new ATOM 0 HA ILE X 75 75.214 -4.528 -0.338 1.00 0.00 H new ATOM 0 HB ILE X 75 73.394 -2.721 -0.673 1.00 0.00 H new ATOM 0 HG12 ILE X 75 71.695 -4.986 0.381 1.00 0.00 H new ATOM 0 HG13 ILE X 75 71.941 -3.429 1.148 1.00 0.00 H new ATOM 0 HG21 ILE X 75 72.355 -3.977 -2.472 1.00 0.00 H new ATOM 0 HG22 ILE X 75 74.116 -4.221 -2.405 1.00 0.00 H new ATOM 0 HG23 ILE X 75 73.019 -5.484 -1.797 1.00 0.00 H new ATOM 0 HD11 ILE X 75 69.787 -3.524 0.030 1.00 0.00 H new ATOM 0 HD12 ILE X 75 70.838 -2.311 -0.737 1.00 0.00 H new ATOM 0 HD13 ILE X 75 70.588 -3.891 -1.516 1.00 0.00 H new ATOM 1087 N VAL X 76 74.060 -3.557 2.558 1.00 0.00 N ATOM 1088 CA VAL X 76 74.261 -2.722 3.675 1.00 0.00 C ATOM 1089 C VAL X 76 75.673 -2.797 4.211 1.00 0.00 C ATOM 1090 O VAL X 76 76.245 -1.803 4.636 1.00 0.00 O ATOM 1091 CB VAL X 76 73.266 -3.035 4.761 1.00 0.00 C ATOM 1092 CG1 VAL X 76 71.908 -2.671 4.369 1.00 0.00 C ATOM 1093 CG2 VAL X 76 73.321 -4.448 5.244 1.00 0.00 C ATOM 0 H VAL X 76 73.384 -4.303 2.721 1.00 0.00 H new ATOM 0 HA VAL X 76 74.104 -1.699 3.334 1.00 0.00 H new ATOM 0 HB VAL X 76 73.562 -2.415 5.607 1.00 0.00 H new ATOM 0 HG11 VAL X 76 71.219 -2.912 5.178 1.00 0.00 H new ATOM 0 HG12 VAL X 76 71.864 -1.602 4.161 1.00 0.00 H new ATOM 0 HG13 VAL X 76 71.626 -3.227 3.475 1.00 0.00 H new ATOM 0 HG21 VAL X 76 72.575 -4.595 6.025 1.00 0.00 H new ATOM 0 HG22 VAL X 76 73.116 -5.124 4.414 1.00 0.00 H new ATOM 0 HG23 VAL X 76 74.313 -4.657 5.646 1.00 0.00 H new ATOM 1103 N LYS X 77 76.223 -3.970 4.164 1.00 0.00 N ATOM 1104 CA LYS X 77 77.569 -4.208 4.579 1.00 0.00 C ATOM 1105 C LYS X 77 78.515 -3.494 3.609 1.00 0.00 C ATOM 1106 O LYS X 77 79.504 -2.893 4.019 1.00 0.00 O ATOM 1107 CB LYS X 77 77.819 -5.710 4.587 1.00 0.00 C ATOM 1108 CG LYS X 77 79.159 -6.136 5.135 1.00 0.00 C ATOM 1109 CD LYS X 77 79.361 -7.635 4.988 1.00 0.00 C ATOM 1110 CE LYS X 77 78.386 -8.445 5.833 1.00 0.00 C ATOM 1111 NZ LYS X 77 78.538 -8.178 7.279 1.00 0.00 N ATOM 0 H LYS X 77 75.740 -4.804 3.830 1.00 0.00 H new ATOM 0 HA LYS X 77 77.744 -3.822 5.583 1.00 0.00 H new ATOM 0 HB2 LYS X 77 77.036 -6.189 5.174 1.00 0.00 H new ATOM 0 HB3 LYS X 77 77.726 -6.083 3.567 1.00 0.00 H new ATOM 0 HG2 LYS X 77 79.954 -5.606 4.611 1.00 0.00 H new ATOM 0 HG3 LYS X 77 79.230 -5.858 6.187 1.00 0.00 H new ATOM 0 HD2 LYS X 77 79.245 -7.912 3.940 1.00 0.00 H new ATOM 0 HD3 LYS X 77 80.382 -7.890 5.274 1.00 0.00 H new ATOM 0 HE2 LYS X 77 77.365 -8.213 5.529 1.00 0.00 H new ATOM 0 HE3 LYS X 77 78.541 -9.507 5.644 1.00 0.00 H new ATOM 0 HZ1 LYS X 77 77.992 -8.878 7.821 1.00 0.00 H new ATOM 0 HZ2 LYS X 77 79.542 -8.244 7.541 1.00 0.00 H new ATOM 0 HZ3 LYS X 77 78.186 -7.223 7.495 1.00 0.00 H new ATOM 1125 N GLU X 78 78.156 -3.515 2.326 1.00 0.00 N ATOM 1126 CA GLU X 78 78.942 -2.855 1.299 1.00 0.00 C ATOM 1127 C GLU X 78 78.837 -1.328 1.502 1.00 0.00 C ATOM 1128 O GLU X 78 79.834 -0.595 1.409 1.00 0.00 O ATOM 1129 CB GLU X 78 78.452 -3.276 -0.118 1.00 0.00 C ATOM 1130 CG GLU X 78 79.504 -3.102 -1.194 1.00 0.00 C ATOM 1131 CD GLU X 78 80.719 -3.961 -0.917 1.00 0.00 C ATOM 1132 OE1 GLU X 78 80.624 -5.189 -1.028 1.00 0.00 O ATOM 1133 OE2 GLU X 78 81.781 -3.424 -0.542 1.00 0.00 O ATOM 0 H GLU X 78 77.321 -3.986 1.978 1.00 0.00 H new ATOM 0 HA GLU X 78 79.987 -3.154 1.379 1.00 0.00 H new ATOM 0 HB2 GLU X 78 78.139 -4.320 -0.091 1.00 0.00 H new ATOM 0 HB3 GLU X 78 77.573 -2.687 -0.381 1.00 0.00 H new ATOM 0 HG2 GLU X 78 79.083 -3.366 -2.164 1.00 0.00 H new ATOM 0 HG3 GLU X 78 79.801 -2.055 -1.250 1.00 0.00 H new ATOM 1140 N ILE X 79 77.630 -0.888 1.830 1.00 0.00 N ATOM 1141 CA ILE X 79 77.324 0.508 2.105 1.00 0.00 C ATOM 1142 C ILE X 79 78.105 1.033 3.310 1.00 0.00 C ATOM 1143 O ILE X 79 78.730 2.109 3.243 1.00 0.00 O ATOM 1144 CB ILE X 79 75.784 0.694 2.369 1.00 0.00 C ATOM 1145 CG1 ILE X 79 74.962 0.546 1.082 1.00 0.00 C ATOM 1146 CG2 ILE X 79 75.456 2.007 3.080 1.00 0.00 C ATOM 1147 CD1 ILE X 79 75.282 1.576 0.023 1.00 0.00 C ATOM 0 H ILE X 79 76.821 -1.504 1.914 1.00 0.00 H new ATOM 0 HA ILE X 79 77.620 1.079 1.225 1.00 0.00 H new ATOM 0 HB ILE X 79 75.499 -0.111 3.046 1.00 0.00 H new ATOM 0 HG12 ILE X 79 75.130 -0.449 0.669 1.00 0.00 H new ATOM 0 HG13 ILE X 79 73.903 0.613 1.330 1.00 0.00 H new ATOM 0 HG21 ILE X 79 74.379 2.078 3.234 1.00 0.00 H new ATOM 0 HG22 ILE X 79 75.963 2.035 4.044 1.00 0.00 H new ATOM 0 HG23 ILE X 79 75.791 2.845 2.469 1.00 0.00 H new ATOM 0 HD11 ILE X 79 74.659 1.402 -0.854 1.00 0.00 H new ATOM 0 HD12 ILE X 79 75.086 2.574 0.415 1.00 0.00 H new ATOM 0 HD13 ILE X 79 76.332 1.496 -0.257 1.00 0.00 H new ATOM 1159 N LYS X 80 78.116 0.261 4.388 1.00 0.00 N ATOM 1160 CA LYS X 80 78.746 0.707 5.606 1.00 0.00 C ATOM 1161 C LYS X 80 80.250 0.820 5.414 1.00 0.00 C ATOM 1162 O LYS X 80 80.849 1.808 5.811 1.00 0.00 O ATOM 1163 CB LYS X 80 78.398 -0.203 6.809 1.00 0.00 C ATOM 1164 CG LYS X 80 79.097 -1.538 6.843 1.00 0.00 C ATOM 1165 CD LYS X 80 78.667 -2.356 8.036 1.00 0.00 C ATOM 1166 CE LYS X 80 79.497 -3.611 8.150 1.00 0.00 C ATOM 1167 NZ LYS X 80 80.908 -3.318 8.509 1.00 0.00 N ATOM 0 H LYS X 80 77.698 -0.668 4.437 1.00 0.00 H new ATOM 0 HA LYS X 80 78.352 1.696 5.839 1.00 0.00 H new ATOM 0 HB2 LYS X 80 78.635 0.334 7.728 1.00 0.00 H new ATOM 0 HB3 LYS X 80 77.322 -0.377 6.810 1.00 0.00 H new ATOM 0 HG2 LYS X 80 78.880 -2.087 5.927 1.00 0.00 H new ATOM 0 HG3 LYS X 80 80.176 -1.385 6.875 1.00 0.00 H new ATOM 0 HD2 LYS X 80 78.768 -1.763 8.945 1.00 0.00 H new ATOM 0 HD3 LYS X 80 77.613 -2.618 7.942 1.00 0.00 H new ATOM 0 HE2 LYS X 80 79.060 -4.266 8.904 1.00 0.00 H new ATOM 0 HE3 LYS X 80 79.469 -4.151 7.203 1.00 0.00 H new ATOM 0 HZ1 LYS X 80 81.370 -4.189 8.839 1.00 0.00 H new ATOM 0 HZ2 LYS X 80 81.410 -2.955 7.674 1.00 0.00 H new ATOM 0 HZ3 LYS X 80 80.933 -2.605 9.265 1.00 0.00 H new ATOM 1181 N GLU X 81 80.831 -0.156 4.712 1.00 0.00 N ATOM 1182 CA GLU X 81 82.263 -0.196 4.492 1.00 0.00 C ATOM 1183 C GLU X 81 82.747 0.948 3.622 1.00 0.00 C ATOM 1184 O GLU X 81 83.864 1.439 3.784 1.00 0.00 O ATOM 1185 CB GLU X 81 82.723 -1.557 3.963 1.00 0.00 C ATOM 1186 CG GLU X 81 82.577 -2.685 4.980 1.00 0.00 C ATOM 1187 CD GLU X 81 83.072 -4.013 4.465 1.00 0.00 C ATOM 1188 OE1 GLU X 81 84.280 -4.143 4.197 1.00 0.00 O ATOM 1189 OE2 GLU X 81 82.272 -4.970 4.364 1.00 0.00 O ATOM 0 H GLU X 81 80.320 -0.930 4.287 1.00 0.00 H new ATOM 0 HA GLU X 81 82.731 -0.060 5.467 1.00 0.00 H new ATOM 0 HB2 GLU X 81 82.147 -1.805 3.071 1.00 0.00 H new ATOM 0 HB3 GLU X 81 83.767 -1.486 3.658 1.00 0.00 H new ATOM 0 HG2 GLU X 81 83.127 -2.425 5.884 1.00 0.00 H new ATOM 0 HG3 GLU X 81 81.528 -2.779 5.261 1.00 0.00 H new ATOM 1196 N TRP X 82 81.918 1.377 2.714 1.00 0.00 N ATOM 1197 CA TRP X 82 82.261 2.473 1.848 1.00 0.00 C ATOM 1198 C TRP X 82 82.244 3.787 2.628 1.00 0.00 C ATOM 1199 O TRP X 82 83.211 4.550 2.615 1.00 0.00 O ATOM 1200 CB TRP X 82 81.257 2.531 0.706 1.00 0.00 C ATOM 1201 CG TRP X 82 81.481 3.636 -0.277 1.00 0.00 C ATOM 1202 CD1 TRP X 82 82.270 3.591 -1.380 1.00 0.00 C ATOM 1203 CD2 TRP X 82 80.884 4.946 -0.263 1.00 0.00 C ATOM 1204 NE1 TRP X 82 82.196 4.775 -2.054 1.00 0.00 N ATOM 1205 CE2 TRP X 82 81.357 5.623 -1.390 1.00 0.00 C ATOM 1206 CE3 TRP X 82 79.996 5.603 0.596 1.00 0.00 C ATOM 1207 CZ2 TRP X 82 80.973 6.924 -1.696 1.00 0.00 C ATOM 1208 CZ3 TRP X 82 79.620 6.895 0.301 1.00 0.00 C ATOM 1209 CH2 TRP X 82 80.104 7.543 -0.837 1.00 0.00 C ATOM 0 H TRP X 82 80.992 0.982 2.552 1.00 0.00 H new ATOM 0 HA TRP X 82 83.264 2.323 1.449 1.00 0.00 H new ATOM 0 HB2 TRP X 82 81.280 1.581 0.173 1.00 0.00 H new ATOM 0 HB3 TRP X 82 80.257 2.636 1.126 1.00 0.00 H new ATOM 0 HD1 TRP X 82 82.868 2.743 -1.680 1.00 0.00 H new ATOM 0 HE1 TRP X 82 82.690 4.993 -2.919 1.00 0.00 H new ATOM 0 HE3 TRP X 82 79.612 5.106 1.475 1.00 0.00 H new ATOM 0 HZ2 TRP X 82 81.345 7.427 -2.576 1.00 0.00 H new ATOM 0 HZ3 TRP X 82 78.940 7.415 0.960 1.00 0.00 H new ATOM 0 HH2 TRP X 82 79.786 8.554 -1.045 1.00 0.00 H new ATOM 1220 N ARG X 83 81.171 4.005 3.365 1.00 0.00 N ATOM 1221 CA ARG X 83 80.979 5.257 4.068 1.00 0.00 C ATOM 1222 C ARG X 83 81.947 5.368 5.242 1.00 0.00 C ATOM 1223 O ARG X 83 82.466 6.440 5.528 1.00 0.00 O ATOM 1224 CB ARG X 83 79.532 5.403 4.510 1.00 0.00 C ATOM 1225 CG ARG X 83 79.065 6.840 4.653 1.00 0.00 C ATOM 1226 CD ARG X 83 77.542 6.964 4.624 1.00 0.00 C ATOM 1227 NE ARG X 83 77.103 8.266 5.150 1.00 0.00 N ATOM 1228 CZ ARG X 83 76.623 9.324 4.466 1.00 0.00 C ATOM 1229 NH1 ARG X 83 76.435 9.278 3.155 1.00 0.00 N ATOM 1230 NH2 ARG X 83 76.310 10.432 5.123 1.00 0.00 N ATOM 0 H ARG X 83 80.418 3.329 3.492 1.00 0.00 H new ATOM 0 HA ARG X 83 81.198 6.080 3.388 1.00 0.00 H new ATOM 0 HB2 ARG X 83 78.891 4.895 3.789 1.00 0.00 H new ATOM 0 HB3 ARG X 83 79.403 4.894 5.465 1.00 0.00 H new ATOM 0 HG2 ARG X 83 79.442 7.250 5.590 1.00 0.00 H new ATOM 0 HG3 ARG X 83 79.491 7.439 3.848 1.00 0.00 H new ATOM 0 HD2 ARG X 83 77.184 6.843 3.602 1.00 0.00 H new ATOM 0 HD3 ARG X 83 77.098 6.162 5.214 1.00 0.00 H new ATOM 0 HE ARG X 83 77.170 8.383 6.161 1.00 0.00 H new ATOM 0 HH11 ARG X 83 76.655 8.427 2.638 1.00 0.00 H new ATOM 0 HH12 ARG X 83 76.070 10.094 2.663 1.00 0.00 H new ATOM 0 HH21 ARG X 83 76.433 10.477 6.135 1.00 0.00 H new ATOM 0 HH22 ARG X 83 75.946 11.239 4.617 1.00 0.00 H new ATOM 1244 N ALA X 84 82.198 4.253 5.900 1.00 0.00 N ATOM 1245 CA ALA X 84 83.149 4.206 7.004 1.00 0.00 C ATOM 1246 C ALA X 84 84.566 4.474 6.508 1.00 0.00 C ATOM 1247 O ALA X 84 85.340 5.165 7.168 1.00 0.00 O ATOM 1248 CB ALA X 84 83.078 2.881 7.739 1.00 0.00 C ATOM 0 H ALA X 84 81.755 3.359 5.690 1.00 0.00 H new ATOM 0 HA ALA X 84 82.878 4.991 7.710 1.00 0.00 H new ATOM 0 HB1 ALA X 84 83.800 2.879 8.556 1.00 0.00 H new ATOM 0 HB2 ALA X 84 82.074 2.741 8.141 1.00 0.00 H new ATOM 0 HB3 ALA X 84 83.309 2.069 7.049 1.00 0.00 H new ATOM 1254 N ALA X 85 84.893 3.952 5.326 1.00 0.00 N ATOM 1255 CA ALA X 85 86.207 4.173 4.725 1.00 0.00 C ATOM 1256 C ALA X 85 86.383 5.625 4.312 1.00 0.00 C ATOM 1257 O ALA X 85 87.506 6.122 4.227 1.00 0.00 O ATOM 1258 CB ALA X 85 86.431 3.262 3.544 1.00 0.00 C ATOM 0 H ALA X 85 84.266 3.374 4.766 1.00 0.00 H new ATOM 0 HA ALA X 85 86.954 3.937 5.483 1.00 0.00 H new ATOM 0 HB1 ALA X 85 87.417 3.452 3.120 1.00 0.00 H new ATOM 0 HB2 ALA X 85 86.369 2.223 3.869 1.00 0.00 H new ATOM 0 HB3 ALA X 85 85.669 3.452 2.788 1.00 0.00 H new ATOM 1264 N ASN X 86 85.277 6.297 4.034 1.00 0.00 N ATOM 1265 CA ASN X 86 85.276 7.698 3.745 1.00 0.00 C ATOM 1266 C ASN X 86 85.463 8.493 5.018 1.00 0.00 C ATOM 1267 O ASN X 86 85.915 9.634 4.989 1.00 0.00 O ATOM 1268 CB ASN X 86 83.937 8.112 3.131 1.00 0.00 C ATOM 1269 CG ASN X 86 83.799 7.920 1.640 1.00 0.00 C ATOM 1270 OD1 ASN X 86 84.389 7.023 1.036 1.00 0.00 O ATOM 1271 ND2 ASN X 86 83.023 8.783 1.031 1.00 0.00 N ATOM 0 H ASN X 86 84.352 5.869 4.006 1.00 0.00 H new ATOM 0 HA ASN X 86 86.090 7.897 3.048 1.00 0.00 H new ATOM 0 HB2 ASN X 86 83.145 7.548 3.624 1.00 0.00 H new ATOM 0 HB3 ASN X 86 83.767 9.164 3.358 1.00 0.00 H new ATOM 0 HD21 ASN X 86 82.891 8.726 0.021 1.00 0.00 H new ATOM 0 HD22 ASN X 86 82.552 9.512 1.567 1.00 0.00 H new ATOM 1278 N GLY X 87 85.143 7.870 6.141 1.00 0.00 N ATOM 1279 CA GLY X 87 85.105 8.579 7.392 1.00 0.00 C ATOM 1280 C GLY X 87 83.891 9.460 7.382 1.00 0.00 C ATOM 1281 O GLY X 87 83.968 10.670 7.628 1.00 0.00 O ATOM 0 H GLY X 87 84.908 6.879 6.203 1.00 0.00 H new ATOM 0 HA2 GLY X 87 85.063 7.879 8.227 1.00 0.00 H new ATOM 0 HA3 GLY X 87 86.009 9.175 7.521 1.00 0.00 H new ATOM 1285 N LYS X 88 82.780 8.858 7.044 1.00 0.00 N ATOM 1286 CA LYS X 88 81.562 9.544 6.830 1.00 0.00 C ATOM 1287 C LYS X 88 80.476 8.759 7.579 1.00 0.00 C ATOM 1288 O LYS X 88 80.388 7.541 7.422 1.00 0.00 O ATOM 1289 CB LYS X 88 81.406 9.549 5.309 1.00 0.00 C ATOM 1290 CG LYS X 88 80.239 10.245 4.677 1.00 0.00 C ATOM 1291 CD LYS X 88 80.511 10.290 3.174 1.00 0.00 C ATOM 1292 CE LYS X 88 79.298 10.624 2.350 1.00 0.00 C ATOM 1293 NZ LYS X 88 78.688 11.937 2.684 1.00 0.00 N ATOM 0 H LYS X 88 82.711 7.849 6.910 1.00 0.00 H new ATOM 0 HA LYS X 88 81.509 10.569 7.197 1.00 0.00 H new ATOM 0 HB2 LYS X 88 82.311 9.990 4.892 1.00 0.00 H new ATOM 0 HB3 LYS X 88 81.379 8.509 4.983 1.00 0.00 H new ATOM 0 HG2 LYS X 88 79.312 9.712 4.886 1.00 0.00 H new ATOM 0 HG3 LYS X 88 80.125 11.252 5.079 1.00 0.00 H new ATOM 0 HD2 LYS X 88 81.288 11.028 2.976 1.00 0.00 H new ATOM 0 HD3 LYS X 88 80.901 9.323 2.855 1.00 0.00 H new ATOM 0 HE2 LYS X 88 79.574 10.620 1.296 1.00 0.00 H new ATOM 0 HE3 LYS X 88 78.551 9.842 2.486 1.00 0.00 H new ATOM 0 HZ1 LYS X 88 77.821 12.069 2.126 1.00 0.00 H new ATOM 0 HZ2 LYS X 88 78.455 11.964 3.697 1.00 0.00 H new ATOM 0 HZ3 LYS X 88 79.361 12.699 2.463 1.00 0.00 H new ATOM 1307 N PRO X 89 79.703 9.435 8.454 1.00 0.00 N ATOM 1308 CA PRO X 89 78.716 8.797 9.368 1.00 0.00 C ATOM 1309 C PRO X 89 77.742 7.862 8.667 1.00 0.00 C ATOM 1310 O PRO X 89 77.002 8.280 7.781 1.00 0.00 O ATOM 1311 CB PRO X 89 77.964 9.989 9.976 1.00 0.00 C ATOM 1312 CG PRO X 89 78.323 11.153 9.118 1.00 0.00 C ATOM 1313 CD PRO X 89 79.698 10.888 8.623 1.00 0.00 C ATOM 0 HA PRO X 89 79.218 8.162 10.098 1.00 0.00 H new ATOM 0 HB2 PRO X 89 76.888 9.817 9.977 1.00 0.00 H new ATOM 0 HB3 PRO X 89 78.261 10.156 11.011 1.00 0.00 H new ATOM 0 HG2 PRO X 89 77.623 11.257 8.289 1.00 0.00 H new ATOM 0 HG3 PRO X 89 78.285 12.083 9.686 1.00 0.00 H new ATOM 0 HD2 PRO X 89 79.898 11.406 7.685 1.00 0.00 H new ATOM 0 HD3 PRO X 89 80.455 11.216 9.335 1.00 0.00 H new ATOM 1321 N GLY X 90 77.765 6.606 9.061 1.00 0.00 N ATOM 1322 CA GLY X 90 76.921 5.606 8.459 1.00 0.00 C ATOM 1323 C GLY X 90 75.622 5.387 9.211 1.00 0.00 C ATOM 1324 O GLY X 90 74.906 6.345 9.519 1.00 0.00 O ATOM 0 H GLY X 90 78.368 6.255 9.805 1.00 0.00 H new ATOM 0 HA2 GLY X 90 76.695 5.900 7.434 1.00 0.00 H new ATOM 0 HA3 GLY X 90 77.466 4.664 8.407 1.00 0.00 H new ATOM 1328 N PHE X 91 75.348 4.137 9.546 1.00 0.00 N ATOM 1329 CA PHE X 91 74.078 3.756 10.163 1.00 0.00 C ATOM 1330 C PHE X 91 74.084 4.084 11.631 1.00 0.00 C ATOM 1331 O PHE X 91 75.147 4.093 12.271 1.00 0.00 O ATOM 1332 CB PHE X 91 73.831 2.244 10.047 1.00 0.00 C ATOM 1333 CG PHE X 91 73.984 1.664 8.678 1.00 0.00 C ATOM 1334 CD1 PHE X 91 73.374 2.243 7.588 1.00 0.00 C ATOM 1335 CD2 PHE X 91 74.749 0.528 8.489 1.00 0.00 C ATOM 1336 CE1 PHE X 91 73.526 1.701 6.336 1.00 0.00 C ATOM 1337 CE2 PHE X 91 74.900 -0.018 7.238 1.00 0.00 C ATOM 1338 CZ PHE X 91 74.288 0.568 6.161 1.00 0.00 C ATOM 0 H PHE X 91 75.991 3.359 9.401 1.00 0.00 H new ATOM 0 HA PHE X 91 73.299 4.310 9.639 1.00 0.00 H new ATOM 0 HB2 PHE X 91 74.519 1.730 10.718 1.00 0.00 H new ATOM 0 HB3 PHE X 91 72.822 2.031 10.401 1.00 0.00 H new ATOM 0 HD1 PHE X 91 72.772 3.130 7.719 1.00 0.00 H new ATOM 0 HD2 PHE X 91 75.234 0.064 9.335 1.00 0.00 H new ATOM 0 HE1 PHE X 91 73.047 2.165 5.486 1.00 0.00 H new ATOM 0 HE2 PHE X 91 75.499 -0.906 7.103 1.00 0.00 H new ATOM 0 HZ PHE X 91 74.403 0.141 5.176 1.00 0.00 H new ATOM 1348 N LYS X 92 72.924 4.345 12.169 1.00 0.00 N ATOM 1349 CA LYS X 92 72.782 4.525 13.547 1.00 0.00 C ATOM 1350 C LYS X 92 72.409 3.183 14.152 1.00 0.00 C ATOM 1351 O LYS X 92 72.260 2.178 13.440 1.00 0.00 O ATOM 1352 CB LYS X 92 71.691 5.542 13.856 1.00 0.00 C ATOM 1353 CG LYS X 92 70.279 5.079 13.557 1.00 0.00 C ATOM 1354 CD LYS X 92 69.217 6.010 14.143 1.00 0.00 C ATOM 1355 CE LYS X 92 69.237 5.997 15.666 1.00 0.00 C ATOM 1356 NZ LYS X 92 68.204 6.864 16.259 1.00 0.00 N ATOM 0 H LYS X 92 72.057 4.435 11.640 1.00 0.00 H new ATOM 0 HA LYS X 92 73.716 4.900 13.965 1.00 0.00 H new ATOM 0 HB2 LYS X 92 71.754 5.810 14.911 1.00 0.00 H new ATOM 0 HB3 LYS X 92 71.888 6.449 13.284 1.00 0.00 H new ATOM 0 HG2 LYS X 92 70.143 5.013 12.477 1.00 0.00 H new ATOM 0 HG3 LYS X 92 70.138 4.075 13.958 1.00 0.00 H new ATOM 0 HD2 LYS X 92 69.386 7.026 13.785 1.00 0.00 H new ATOM 0 HD3 LYS X 92 68.232 5.707 13.789 1.00 0.00 H new ATOM 0 HE2 LYS X 92 69.093 4.975 16.018 1.00 0.00 H new ATOM 0 HE3 LYS X 92 70.218 6.319 16.014 1.00 0.00 H new ATOM 0 HZ1 LYS X 92 68.264 6.816 17.296 1.00 0.00 H new ATOM 0 HZ2 LYS X 92 68.354 7.845 15.948 1.00 0.00 H new ATOM 0 HZ3 LYS X 92 67.264 6.544 15.952 1.00 0.00 H new ATOM 1370 N GLN X 93 72.256 3.162 15.422 1.00 0.00 N ATOM 1371 CA GLN X 93 71.882 2.011 16.127 1.00 0.00 C ATOM 1372 C GLN X 93 70.487 2.177 16.668 1.00 0.00 C ATOM 1373 O GLN X 93 70.093 3.276 17.064 1.00 0.00 O ATOM 1374 CB GLN X 93 72.847 1.818 17.246 1.00 0.00 C ATOM 1375 CG GLN X 93 74.240 1.403 16.803 1.00 0.00 C ATOM 1376 CD GLN X 93 74.228 0.125 15.985 1.00 0.00 C ATOM 1377 OE1 GLN X 93 74.320 -0.972 16.530 1.00 0.00 O ATOM 1378 NE2 GLN X 93 74.121 0.249 14.681 1.00 0.00 N ATOM 0 H GLN X 93 72.395 3.980 16.015 1.00 0.00 H new ATOM 0 HA GLN X 93 71.895 1.142 15.470 1.00 0.00 H new ATOM 0 HB2 GLN X 93 72.920 2.746 17.812 1.00 0.00 H new ATOM 0 HB3 GLN X 93 72.453 1.061 17.924 1.00 0.00 H new ATOM 0 HG2 GLN X 93 74.685 2.205 16.214 1.00 0.00 H new ATOM 0 HG3 GLN X 93 74.871 1.264 17.681 1.00 0.00 H new ATOM 0 HE21 GLN X 93 74.046 1.176 14.261 1.00 0.00 H new ATOM 0 HE22 GLN X 93 74.112 -0.581 14.089 1.00 0.00 H new ATOM 1387 N GLY X 94 69.750 1.123 16.644 1.00 0.00 N ATOM 1388 CA GLY X 94 68.424 1.120 17.158 1.00 0.00 C ATOM 1389 C GLY X 94 67.636 0.058 16.466 1.00 0.00 C ATOM 1390 O GLY X 94 66.408 0.174 16.348 1.00 0.00 O ATOM 1391 OXT GLY X 94 68.264 -0.904 15.965 1.00 0.00 O ATOM 0 H GLY X 94 70.054 0.227 16.262 1.00 0.00 H new ATOM 0 HA2 GLY X 94 68.437 0.939 18.233 1.00 0.00 H new ATOM 0 HA3 GLY X 94 67.959 2.094 17.005 1.00 0.00 H new