USER MOD reduce.3.24.130724 H: found=0, std=0, add=641, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 640 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 78 ASN : amide:sc= 0.379 K(o=1.5,f=-13!) USER MOD Set 1.2: A 80 LYS NZ :NH3+ -177:sc= 1.17 (180deg=-0.102) USER MOD Set 2.1: A 4 LYS NZ :NH3+ -178:sc= 2.22 (180deg=0.985) USER MOD Set 2.2: A 10 TYR OH : rot 180:sc= 1.02 USER MOD Set 3.1: A 5 HIS :FLIP no HD1:sc= -0.59 F(o=-2.3!,f=-0.66) USER MOD Set 3.2: A 6 SER OG : rot -88:sc= -0.072 USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 11 THR OG1 : rot -140:sc= -0.0925 USER MOD Single : A 20 LYS NZ :NH3+ -172:sc= 1.33 (180deg=1.14) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 CYS SG : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot 179:sc= 1.22 USER MOD Single : A 34 ASN : amide:sc= 0 X(o=0,f=-0.075) USER MOD Single : A 35 LYS NZ :NH3+ -177:sc=-0.000383 (180deg=-0.0267) USER MOD Single : A 44 THR OG1 : rot -90:sc= 1.41 USER MOD Single : A 46 HIS : no HD1:sc= -1.42 K(o=-1.4,f=-5.5!) USER MOD Single : A 50 SER OG : rot -98:sc= 0.29 USER MOD Single : A 54 TYR OH : rot 30:sc= -0.0442 USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 SER OG : rot -167:sc= 0.322 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 LYS NZ :NH3+ -153:sc= 1.27 (180deg=1.09) USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 84 LYS NZ :NH3+ 164:sc= 1.27 (180deg=1.21) USER MOD Single : A 85 GLN : amide:sc= -0.0839 X(o=-0.084,f=-0.049) USER MOD ----------------------------------------------------------------- ATOM 35 N LYS A 4 9.061 10.421 -4.275 1.00 0.00 N ATOM 36 CA LYS A 4 7.973 11.228 -3.765 1.00 0.00 C ATOM 37 C LYS A 4 8.363 11.878 -2.463 1.00 0.00 C ATOM 38 O LYS A 4 9.393 11.533 -1.872 1.00 0.00 O ATOM 39 CB LYS A 4 6.728 10.374 -3.478 1.00 0.00 C ATOM 40 CG LYS A 4 6.893 9.346 -2.335 1.00 0.00 C ATOM 41 CD LYS A 4 7.688 8.121 -2.755 1.00 0.00 C ATOM 42 CE LYS A 4 7.850 7.123 -1.619 1.00 0.00 C ATOM 43 NZ LYS A 4 8.339 5.815 -2.123 1.00 0.00 N ATOM 0 HA LYS A 4 7.754 11.974 -4.529 1.00 0.00 H new ATOM 0 HB2 LYS A 4 5.899 11.038 -3.233 1.00 0.00 H new ATOM 0 HB3 LYS A 4 6.452 9.842 -4.389 1.00 0.00 H new ATOM 0 HG2 LYS A 4 7.390 9.824 -1.491 1.00 0.00 H new ATOM 0 HG3 LYS A 4 5.908 9.033 -1.989 1.00 0.00 H new ATOM 0 HD2 LYS A 4 7.189 7.636 -3.594 1.00 0.00 H new ATOM 0 HD3 LYS A 4 8.672 8.432 -3.106 1.00 0.00 H new ATOM 0 HE2 LYS A 4 8.550 7.517 -0.882 1.00 0.00 H new ATOM 0 HE3 LYS A 4 6.895 6.987 -1.111 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 8.408 5.142 -1.333 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 7.675 5.447 -2.834 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 9.277 5.938 -2.556 1.00 0.00 H new ATOM 57 N HIS A 5 7.534 12.788 -2.012 1.00 0.00 N ATOM 58 CA HIS A 5 7.695 13.378 -0.704 1.00 0.00 C ATOM 59 C HIS A 5 6.818 12.644 0.326 1.00 0.00 C ATOM 60 O HIS A 5 7.120 12.641 1.511 1.00 0.00 O ATOM 61 CB HIS A 5 7.395 14.905 -0.718 1.00 0.00 C ATOM 62 CG HIS A 5 5.994 15.294 -1.136 1.00 0.00 C ATOM 63 ND1 HIS A 5 4.867 15.427 -0.400 1.00 0.00 N flip ATOM 64 CD2 HIS A 5 5.638 15.603 -2.421 1.00 0.00 C flip ATOM 65 CE1 HIS A 5 3.818 15.815 -1.228 1.00 0.00 C flip ATOM 66 NE2 HIS A 5 4.342 15.905 -2.438 1.00 0.00 N flip ATOM 0 H HIS A 5 6.733 13.139 -2.537 1.00 0.00 H new ATOM 0 HA HIS A 5 8.739 13.264 -0.411 1.00 0.00 H new ATOM 0 HB2 HIS A 5 7.580 15.302 0.280 1.00 0.00 H new ATOM 0 HB3 HIS A 5 8.103 15.390 -1.390 1.00 0.00 H new ATOM 0 HD2 HIS A 5 6.297 15.602 -3.276 1.00 0.00 H new ATOM 0 HE1 HIS A 5 2.793 16.003 -0.943 1.00 0.00 H new ATOM 0 HE2 HIS A 5 3.822 16.171 -3.274 1.00 0.00 H new ATOM 74 N SER A 6 5.738 12.002 -0.140 1.00 0.00 N ATOM 75 CA SER A 6 4.833 11.295 0.757 1.00 0.00 C ATOM 76 C SER A 6 3.886 10.409 -0.044 1.00 0.00 C ATOM 77 O SER A 6 3.962 10.367 -1.280 1.00 0.00 O ATOM 78 CB SER A 6 3.995 12.311 1.538 1.00 0.00 C ATOM 79 OG SER A 6 3.140 13.035 0.662 1.00 0.00 O ATOM 0 H SER A 6 5.477 11.961 -1.125 1.00 0.00 H new ATOM 0 HA SER A 6 5.424 10.683 1.438 1.00 0.00 H new ATOM 0 HB2 SER A 6 3.400 11.796 2.292 1.00 0.00 H new ATOM 0 HB3 SER A 6 4.652 13.002 2.067 1.00 0.00 H new ATOM 0 HG SER A 6 3.613 13.822 0.319 1.00 0.00 H new ATOM 85 N ILE A 7 2.973 9.739 0.662 1.00 0.00 N ATOM 86 CA ILE A 7 1.920 8.934 0.048 1.00 0.00 C ATOM 87 C ILE A 7 0.939 9.856 -0.689 1.00 0.00 C ATOM 88 O ILE A 7 0.255 9.449 -1.617 1.00 0.00 O ATOM 89 CB ILE A 7 1.135 8.117 1.125 1.00 0.00 C ATOM 90 CG1 ILE A 7 0.153 7.136 0.460 1.00 0.00 C ATOM 91 CG2 ILE A 7 0.395 9.049 2.090 1.00 0.00 C ATOM 92 CD1 ILE A 7 -0.617 6.279 1.437 1.00 0.00 C ATOM 0 H ILE A 7 2.945 9.741 1.682 1.00 0.00 H new ATOM 0 HA ILE A 7 2.386 8.237 -0.649 1.00 0.00 H new ATOM 0 HB ILE A 7 1.859 7.539 1.700 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -0.554 7.702 -0.147 1.00 0.00 H new ATOM 0 HG13 ILE A 7 0.707 6.487 -0.218 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -0.143 8.455 2.829 1.00 0.00 H new ATOM 0 HG22 ILE A 7 1.114 9.694 2.596 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -0.313 9.662 1.532 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -1.287 5.616 0.890 1.00 0.00 H new ATOM 0 HD12 ILE A 7 0.080 5.684 2.027 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -1.201 6.918 2.100 1.00 0.00 H new ATOM 104 N SER A 8 0.933 11.122 -0.290 1.00 0.00 N ATOM 105 CA SER A 8 0.050 12.095 -0.857 1.00 0.00 C ATOM 106 C SER A 8 0.515 12.461 -2.255 1.00 0.00 C ATOM 107 O SER A 8 -0.238 13.036 -3.045 1.00 0.00 O ATOM 108 CB SER A 8 -0.029 13.334 0.053 1.00 0.00 C ATOM 109 OG SER A 8 -0.894 14.333 -0.479 1.00 0.00 O ATOM 0 H SER A 8 1.547 11.489 0.438 1.00 0.00 H new ATOM 0 HA SER A 8 -0.953 11.674 -0.933 1.00 0.00 H new ATOM 0 HB2 SER A 8 -0.383 13.037 1.040 1.00 0.00 H new ATOM 0 HB3 SER A 8 0.969 13.751 0.184 1.00 0.00 H new ATOM 0 HG SER A 8 -0.918 15.102 0.128 1.00 0.00 H new ATOM 115 N ASP A 9 1.756 12.131 -2.564 1.00 0.00 N ATOM 116 CA ASP A 9 2.272 12.384 -3.892 1.00 0.00 C ATOM 117 C ASP A 9 2.100 11.143 -4.783 1.00 0.00 C ATOM 118 O ASP A 9 2.462 11.129 -5.963 1.00 0.00 O ATOM 119 CB ASP A 9 3.716 12.846 -3.835 1.00 0.00 C ATOM 120 CG ASP A 9 4.224 13.326 -5.170 1.00 0.00 C ATOM 121 OD1 ASP A 9 3.467 13.997 -5.903 1.00 0.00 O ATOM 122 OD2 ASP A 9 5.386 13.082 -5.488 1.00 0.00 O ATOM 0 H ASP A 9 2.416 11.693 -1.921 1.00 0.00 H new ATOM 0 HA ASP A 9 1.695 13.193 -4.341 1.00 0.00 H new ATOM 0 HB2 ASP A 9 3.808 13.650 -3.105 1.00 0.00 H new ATOM 0 HB3 ASP A 9 4.343 12.025 -3.486 1.00 0.00 H new ATOM 127 N TYR A 10 1.549 10.105 -4.219 1.00 0.00 N ATOM 128 CA TYR A 10 1.196 8.939 -4.989 1.00 0.00 C ATOM 129 C TYR A 10 -0.172 9.122 -5.513 1.00 0.00 C ATOM 130 O TYR A 10 -1.032 9.676 -4.833 1.00 0.00 O ATOM 131 CB TYR A 10 1.194 7.653 -4.160 1.00 0.00 C ATOM 132 CG TYR A 10 2.510 6.963 -4.023 1.00 0.00 C ATOM 133 CD1 TYR A 10 3.477 7.436 -3.176 1.00 0.00 C ATOM 134 CD2 TYR A 10 2.776 5.806 -4.750 1.00 0.00 C ATOM 135 CE1 TYR A 10 4.672 6.791 -3.051 1.00 0.00 C ATOM 136 CE2 TYR A 10 3.978 5.150 -4.626 1.00 0.00 C ATOM 137 CZ TYR A 10 4.924 5.653 -3.769 1.00 0.00 C ATOM 138 OH TYR A 10 6.137 5.019 -3.628 1.00 0.00 O ATOM 0 H TYR A 10 1.333 10.040 -3.224 1.00 0.00 H new ATOM 0 HA TYR A 10 1.942 8.838 -5.777 1.00 0.00 H new ATOM 0 HB2 TYR A 10 0.823 7.888 -3.162 1.00 0.00 H new ATOM 0 HB3 TYR A 10 0.485 6.956 -4.608 1.00 0.00 H new ATOM 0 HD1 TYR A 10 3.291 8.331 -2.600 1.00 0.00 H new ATOM 0 HD2 TYR A 10 2.026 5.417 -5.423 1.00 0.00 H new ATOM 0 HE1 TYR A 10 5.424 7.180 -2.381 1.00 0.00 H new ATOM 0 HE2 TYR A 10 4.174 4.253 -5.194 1.00 0.00 H new ATOM 0 HH TYR A 10 6.161 4.226 -4.203 1.00 0.00 H new ATOM 148 N THR A 11 -0.384 8.704 -6.698 1.00 0.00 N ATOM 149 CA THR A 11 -1.687 8.673 -7.217 1.00 0.00 C ATOM 150 C THR A 11 -2.280 7.340 -6.773 1.00 0.00 C ATOM 151 O THR A 11 -1.520 6.447 -6.334 1.00 0.00 O ATOM 152 CB THR A 11 -1.643 8.787 -8.740 1.00 0.00 C ATOM 153 OG1 THR A 11 -0.720 7.838 -9.257 1.00 0.00 O ATOM 154 CG2 THR A 11 -1.229 10.186 -9.171 1.00 0.00 C ATOM 0 H THR A 11 0.342 8.374 -7.334 1.00 0.00 H new ATOM 0 HA THR A 11 -2.295 9.504 -6.858 1.00 0.00 H new ATOM 0 HB THR A 11 -2.641 8.589 -9.131 1.00 0.00 H new ATOM 0 HG1 THR A 11 -0.213 8.242 -9.992 1.00 0.00 H new ATOM 0 HG21 THR A 11 -1.206 10.239 -10.259 1.00 0.00 H new ATOM 0 HG22 THR A 11 -1.946 10.912 -8.787 1.00 0.00 H new ATOM 0 HG23 THR A 11 -0.238 10.410 -8.776 1.00 0.00 H new ATOM 162 N GLU A 12 -3.576 7.171 -6.868 1.00 0.00 N ATOM 163 CA GLU A 12 -4.194 5.945 -6.413 1.00 0.00 C ATOM 164 C GLU A 12 -3.707 4.782 -7.266 1.00 0.00 C ATOM 165 O GLU A 12 -3.390 3.718 -6.752 1.00 0.00 O ATOM 166 CB GLU A 12 -5.715 6.065 -6.451 1.00 0.00 C ATOM 167 CG GLU A 12 -6.467 4.818 -6.026 1.00 0.00 C ATOM 168 CD GLU A 12 -7.955 4.999 -6.126 1.00 0.00 C ATOM 169 OE1 GLU A 12 -8.475 5.110 -7.253 1.00 0.00 O ATOM 170 OE2 GLU A 12 -8.634 5.061 -5.079 1.00 0.00 O ATOM 0 H GLU A 12 -4.222 7.860 -7.253 1.00 0.00 H new ATOM 0 HA GLU A 12 -3.907 5.758 -5.378 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -6.016 6.890 -5.805 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -6.019 6.326 -7.465 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -6.161 3.979 -6.651 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -6.200 4.565 -5.000 1.00 0.00 H new ATOM 177 N ALA A 13 -3.558 5.030 -8.554 1.00 0.00 N ATOM 178 CA ALA A 13 -3.103 4.000 -9.476 1.00 0.00 C ATOM 179 C ALA A 13 -1.654 3.594 -9.201 1.00 0.00 C ATOM 180 O ALA A 13 -1.344 2.406 -9.172 1.00 0.00 O ATOM 181 CB ALA A 13 -3.280 4.431 -10.921 1.00 0.00 C ATOM 0 H ALA A 13 -3.745 5.934 -8.987 1.00 0.00 H new ATOM 0 HA ALA A 13 -3.728 3.123 -9.309 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -2.930 3.638 -11.583 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -4.334 4.627 -11.116 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -2.703 5.337 -11.104 1.00 0.00 H new ATOM 187 N GLU A 14 -0.776 4.570 -8.961 1.00 0.00 N ATOM 188 CA GLU A 14 0.642 4.271 -8.686 1.00 0.00 C ATOM 189 C GLU A 14 0.820 3.618 -7.329 1.00 0.00 C ATOM 190 O GLU A 14 1.736 2.816 -7.124 1.00 0.00 O ATOM 191 CB GLU A 14 1.533 5.507 -8.817 1.00 0.00 C ATOM 192 CG GLU A 14 1.664 6.030 -10.242 1.00 0.00 C ATOM 193 CD GLU A 14 2.211 4.995 -11.196 1.00 0.00 C ATOM 194 OE1 GLU A 14 3.431 4.727 -11.180 1.00 0.00 O ATOM 195 OE2 GLU A 14 1.428 4.439 -11.992 1.00 0.00 O ATOM 0 H GLU A 14 -1.011 5.562 -8.950 1.00 0.00 H new ATOM 0 HA GLU A 14 0.962 3.561 -9.448 1.00 0.00 H new ATOM 0 HB2 GLU A 14 1.132 6.300 -8.186 1.00 0.00 H new ATOM 0 HB3 GLU A 14 2.526 5.268 -8.436 1.00 0.00 H new ATOM 0 HG2 GLU A 14 0.687 6.362 -10.594 1.00 0.00 H new ATOM 0 HG3 GLU A 14 2.317 6.902 -10.246 1.00 0.00 H new ATOM 202 N PHE A 15 -0.051 3.942 -6.412 1.00 0.00 N ATOM 203 CA PHE A 15 -0.032 3.305 -5.116 1.00 0.00 C ATOM 204 C PHE A 15 -0.559 1.910 -5.253 1.00 0.00 C ATOM 205 O PHE A 15 -0.130 1.020 -4.586 1.00 0.00 O ATOM 206 CB PHE A 15 -0.830 4.092 -4.097 1.00 0.00 C ATOM 207 CG PHE A 15 -0.748 3.525 -2.722 1.00 0.00 C ATOM 208 CD1 PHE A 15 0.275 3.901 -1.880 1.00 0.00 C ATOM 209 CD2 PHE A 15 -1.693 2.616 -2.269 1.00 0.00 C ATOM 210 CE1 PHE A 15 0.362 3.384 -0.617 1.00 0.00 C ATOM 211 CE2 PHE A 15 -1.612 2.101 -1.007 1.00 0.00 C ATOM 212 CZ PHE A 15 -0.585 2.484 -0.183 1.00 0.00 C ATOM 0 H PHE A 15 -0.783 4.642 -6.534 1.00 0.00 H new ATOM 0 HA PHE A 15 0.995 3.272 -4.752 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -0.471 5.121 -4.081 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -1.874 4.123 -4.408 1.00 0.00 H new ATOM 0 HD1 PHE A 15 1.015 4.610 -2.220 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -2.500 2.313 -2.920 1.00 0.00 H new ATOM 0 HE1 PHE A 15 1.169 3.680 0.036 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -2.353 1.396 -0.660 1.00 0.00 H new ATOM 0 HZ PHE A 15 -0.519 2.076 0.815 1.00 0.00 H new ATOM 222 N LEU A 16 -1.464 1.727 -6.130 1.00 0.00 N ATOM 223 CA LEU A 16 -2.021 0.426 -6.372 1.00 0.00 C ATOM 224 C LEU A 16 -0.995 -0.457 -7.065 1.00 0.00 C ATOM 225 O LEU A 16 -1.071 -1.682 -7.049 1.00 0.00 O ATOM 226 CB LEU A 16 -3.334 0.603 -7.125 1.00 0.00 C ATOM 227 CG LEU A 16 -4.193 -0.593 -7.236 1.00 0.00 C ATOM 228 CD1 LEU A 16 -5.627 -0.189 -7.296 1.00 0.00 C ATOM 229 CD2 LEU A 16 -3.897 -1.345 -8.449 1.00 0.00 C ATOM 0 H LEU A 16 -1.853 2.469 -6.712 1.00 0.00 H new ATOM 0 HA LEU A 16 -2.259 -0.097 -5.446 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -3.906 1.390 -6.634 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -3.106 0.955 -8.131 1.00 0.00 H new ATOM 0 HG LEU A 16 -3.999 -1.213 -6.361 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -6.252 -1.078 -7.378 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -5.889 0.357 -6.390 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -5.789 0.450 -8.164 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -4.545 -2.220 -8.502 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -4.068 -0.713 -9.320 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -2.855 -1.666 -8.433 1.00 0.00 H new ATOM 241 N GLU A 17 -0.043 0.166 -7.633 1.00 0.00 N ATOM 242 CA GLU A 17 1.083 -0.526 -8.148 1.00 0.00 C ATOM 243 C GLU A 17 2.069 -0.893 -7.017 1.00 0.00 C ATOM 244 O GLU A 17 2.859 -1.800 -7.191 1.00 0.00 O ATOM 245 CB GLU A 17 1.775 0.227 -9.281 1.00 0.00 C ATOM 246 CG GLU A 17 0.896 0.440 -10.506 1.00 0.00 C ATOM 247 CD GLU A 17 0.309 -0.851 -11.047 1.00 0.00 C ATOM 248 OE1 GLU A 17 1.061 -1.701 -11.535 1.00 0.00 O ATOM 249 OE2 GLU A 17 -0.927 -1.035 -10.978 1.00 0.00 O ATOM 0 H GLU A 17 -0.015 1.178 -7.759 1.00 0.00 H new ATOM 0 HA GLU A 17 0.712 -1.452 -8.587 1.00 0.00 H new ATOM 0 HB2 GLU A 17 2.106 1.197 -8.910 1.00 0.00 H new ATOM 0 HB3 GLU A 17 2.668 -0.323 -9.578 1.00 0.00 H new ATOM 0 HG2 GLU A 17 0.085 1.122 -10.250 1.00 0.00 H new ATOM 0 HG3 GLU A 17 1.483 0.922 -11.288 1.00 0.00 H new ATOM 256 N PHE A 18 1.985 -0.186 -5.832 1.00 0.00 N ATOM 257 CA PHE A 18 2.885 -0.467 -4.648 1.00 0.00 C ATOM 258 C PHE A 18 2.782 -1.914 -4.324 1.00 0.00 C ATOM 259 O PHE A 18 3.759 -2.622 -4.227 1.00 0.00 O ATOM 260 CB PHE A 18 2.507 0.388 -3.317 1.00 0.00 C ATOM 261 CG PHE A 18 1.725 -0.348 -2.128 1.00 0.00 C ATOM 262 CD1 PHE A 18 0.329 -0.481 -2.131 1.00 0.00 C ATOM 263 CD2 PHE A 18 2.410 -0.903 -1.028 1.00 0.00 C ATOM 264 CE1 PHE A 18 -0.346 -1.139 -1.091 1.00 0.00 C ATOM 265 CE2 PHE A 18 1.720 -1.556 -0.002 1.00 0.00 C ATOM 266 CZ PHE A 18 0.354 -1.670 -0.039 1.00 0.00 C ATOM 0 H PHE A 18 1.317 0.568 -5.674 1.00 0.00 H new ATOM 0 HA PHE A 18 3.894 -0.172 -4.934 1.00 0.00 H new ATOM 0 HB2 PHE A 18 3.434 0.787 -2.906 1.00 0.00 H new ATOM 0 HB3 PHE A 18 1.905 1.240 -3.631 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -0.239 -0.068 -2.951 1.00 0.00 H new ATOM 0 HD2 PHE A 18 3.486 -0.822 -0.977 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -1.422 -1.227 -1.120 1.00 0.00 H new ATOM 0 HE2 PHE A 18 2.269 -1.975 0.828 1.00 0.00 H new ATOM 0 HZ PHE A 18 -0.169 -2.177 0.759 1.00 0.00 H new ATOM 276 N VAL A 19 1.574 -2.331 -4.249 1.00 0.00 N ATOM 277 CA VAL A 19 1.235 -3.646 -3.816 1.00 0.00 C ATOM 278 C VAL A 19 1.585 -4.700 -4.853 1.00 0.00 C ATOM 279 O VAL A 19 2.121 -5.759 -4.522 1.00 0.00 O ATOM 280 CB VAL A 19 -0.247 -3.702 -3.377 1.00 0.00 C ATOM 281 CG1 VAL A 19 -1.180 -3.248 -4.465 1.00 0.00 C ATOM 282 CG2 VAL A 19 -0.617 -5.052 -2.828 1.00 0.00 C ATOM 0 H VAL A 19 0.767 -1.757 -4.492 1.00 0.00 H new ATOM 0 HA VAL A 19 1.843 -3.885 -2.944 1.00 0.00 H new ATOM 0 HB VAL A 19 -0.363 -2.990 -2.560 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -2.209 -3.305 -4.109 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -0.947 -2.219 -4.738 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -1.062 -3.891 -5.337 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -1.666 -5.049 -2.531 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -0.458 -5.812 -3.593 1.00 0.00 H new ATOM 0 HG23 VAL A 19 0.005 -5.275 -1.961 1.00 0.00 H new ATOM 292 N LYS A 20 1.342 -4.388 -6.099 1.00 0.00 N ATOM 293 CA LYS A 20 1.665 -5.291 -7.175 1.00 0.00 C ATOM 294 C LYS A 20 3.181 -5.456 -7.256 1.00 0.00 C ATOM 295 O LYS A 20 3.698 -6.549 -7.471 1.00 0.00 O ATOM 296 CB LYS A 20 1.147 -4.750 -8.471 1.00 0.00 C ATOM 297 CG LYS A 20 -0.344 -4.611 -8.492 1.00 0.00 C ATOM 298 CD LYS A 20 -0.768 -4.051 -9.786 1.00 0.00 C ATOM 299 CE LYS A 20 -2.242 -3.829 -9.903 1.00 0.00 C ATOM 300 NZ LYS A 20 -2.559 -3.134 -11.168 1.00 0.00 N ATOM 0 H LYS A 20 0.918 -3.509 -6.396 1.00 0.00 H new ATOM 0 HA LYS A 20 1.200 -6.259 -6.985 1.00 0.00 H new ATOM 0 HB2 LYS A 20 1.600 -3.777 -8.659 1.00 0.00 H new ATOM 0 HB3 LYS A 20 1.457 -5.408 -9.283 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -0.812 -5.582 -8.333 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -0.671 -3.963 -7.679 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -0.255 -3.102 -9.944 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -0.449 -4.723 -10.582 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -2.764 -4.785 -9.865 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -2.596 -3.239 -9.058 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -3.564 -2.866 -11.175 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -1.972 -2.279 -11.251 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -2.364 -3.767 -11.970 1.00 0.00 H new ATOM 314 N LYS A 21 3.873 -4.343 -7.018 1.00 0.00 N ATOM 315 CA LYS A 21 5.320 -4.270 -6.990 1.00 0.00 C ATOM 316 C LYS A 21 5.860 -5.172 -5.897 1.00 0.00 C ATOM 317 O LYS A 21 6.867 -5.816 -6.074 1.00 0.00 O ATOM 318 CB LYS A 21 5.755 -2.814 -6.753 1.00 0.00 C ATOM 319 CG LYS A 21 7.259 -2.573 -6.715 1.00 0.00 C ATOM 320 CD LYS A 21 7.582 -1.104 -6.437 1.00 0.00 C ATOM 321 CE LYS A 21 7.054 -0.196 -7.542 1.00 0.00 C ATOM 322 NZ LYS A 21 7.369 1.223 -7.317 1.00 0.00 N ATOM 0 H LYS A 21 3.423 -3.446 -6.835 1.00 0.00 H new ATOM 0 HA LYS A 21 5.722 -4.607 -7.946 1.00 0.00 H new ATOM 0 HB2 LYS A 21 5.326 -2.193 -7.539 1.00 0.00 H new ATOM 0 HB3 LYS A 21 5.327 -2.475 -5.810 1.00 0.00 H new ATOM 0 HG2 LYS A 21 7.710 -3.198 -5.944 1.00 0.00 H new ATOM 0 HG3 LYS A 21 7.701 -2.871 -7.666 1.00 0.00 H new ATOM 0 HD2 LYS A 21 7.146 -0.809 -5.483 1.00 0.00 H new ATOM 0 HD3 LYS A 21 8.661 -0.979 -6.346 1.00 0.00 H new ATOM 0 HE2 LYS A 21 7.477 -0.510 -8.496 1.00 0.00 H new ATOM 0 HE3 LYS A 21 5.973 -0.315 -7.618 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 6.986 1.792 -8.099 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 6.944 1.535 -6.421 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 8.401 1.347 -7.272 1.00 0.00 H new ATOM 336 N ILE A 22 5.151 -5.236 -4.789 1.00 0.00 N ATOM 337 CA ILE A 22 5.546 -6.075 -3.674 1.00 0.00 C ATOM 338 C ILE A 22 5.279 -7.544 -3.996 1.00 0.00 C ATOM 339 O ILE A 22 6.057 -8.418 -3.643 1.00 0.00 O ATOM 340 CB ILE A 22 4.821 -5.663 -2.376 1.00 0.00 C ATOM 341 CG1 ILE A 22 5.122 -4.196 -2.083 1.00 0.00 C ATOM 342 CG2 ILE A 22 5.272 -6.543 -1.213 1.00 0.00 C ATOM 343 CD1 ILE A 22 4.435 -3.640 -0.878 1.00 0.00 C ATOM 0 H ILE A 22 4.290 -4.712 -4.635 1.00 0.00 H new ATOM 0 HA ILE A 22 6.615 -5.940 -3.513 1.00 0.00 H new ATOM 0 HB ILE A 22 3.746 -5.795 -2.502 1.00 0.00 H new ATOM 0 HG12 ILE A 22 6.198 -4.080 -1.955 1.00 0.00 H new ATOM 0 HG13 ILE A 22 4.838 -3.602 -2.951 1.00 0.00 H new ATOM 0 HG21 ILE A 22 4.752 -6.240 -0.304 1.00 0.00 H new ATOM 0 HG22 ILE A 22 5.040 -7.585 -1.434 1.00 0.00 H new ATOM 0 HG23 ILE A 22 6.347 -6.433 -1.069 1.00 0.00 H new ATOM 0 HD11 ILE A 22 4.711 -2.593 -0.752 1.00 0.00 H new ATOM 0 HD12 ILE A 22 3.355 -3.718 -1.006 1.00 0.00 H new ATOM 0 HD13 ILE A 22 4.737 -4.203 0.005 1.00 0.00 H new ATOM 355 N CYS A 23 4.202 -7.803 -4.702 1.00 0.00 N ATOM 356 CA CYS A 23 3.877 -9.155 -5.123 1.00 0.00 C ATOM 357 C CYS A 23 4.991 -9.696 -6.046 1.00 0.00 C ATOM 358 O CYS A 23 5.344 -10.876 -5.997 1.00 0.00 O ATOM 359 CB CYS A 23 2.511 -9.178 -5.833 1.00 0.00 C ATOM 360 SG CYS A 23 1.931 -10.824 -6.322 1.00 0.00 S ATOM 0 H CYS A 23 3.531 -7.095 -5.000 1.00 0.00 H new ATOM 0 HA CYS A 23 3.811 -9.800 -4.246 1.00 0.00 H new ATOM 0 HB2 CYS A 23 1.768 -8.728 -5.174 1.00 0.00 H new ATOM 0 HB3 CYS A 23 2.570 -8.551 -6.722 1.00 0.00 H new ATOM 0 HG CYS A 23 0.775 -10.721 -6.907 1.00 0.00 H new ATOM 366 N ARG A 24 5.575 -8.813 -6.832 1.00 0.00 N ATOM 367 CA ARG A 24 6.649 -9.165 -7.753 1.00 0.00 C ATOM 368 C ARG A 24 8.036 -8.846 -7.184 1.00 0.00 C ATOM 369 O ARG A 24 9.034 -8.976 -7.871 1.00 0.00 O ATOM 370 CB ARG A 24 6.457 -8.494 -9.106 1.00 0.00 C ATOM 371 CG ARG A 24 6.413 -6.993 -9.061 1.00 0.00 C ATOM 372 CD ARG A 24 6.263 -6.444 -10.442 1.00 0.00 C ATOM 373 NE ARG A 24 6.148 -4.977 -10.461 1.00 0.00 N ATOM 374 CZ ARG A 24 5.100 -4.310 -10.982 1.00 0.00 C ATOM 375 NH1 ARG A 24 4.024 -4.977 -11.392 1.00 0.00 N ATOM 376 NH2 ARG A 24 5.113 -2.986 -11.043 1.00 0.00 N ATOM 0 H ARG A 24 5.320 -7.826 -6.853 1.00 0.00 H new ATOM 0 HA ARG A 24 6.598 -10.245 -7.892 1.00 0.00 H new ATOM 0 HB2 ARG A 24 7.268 -8.801 -9.767 1.00 0.00 H new ATOM 0 HB3 ARG A 24 5.530 -8.858 -9.549 1.00 0.00 H new ATOM 0 HG2 ARG A 24 5.581 -6.664 -8.438 1.00 0.00 H new ATOM 0 HG3 ARG A 24 7.325 -6.608 -8.605 1.00 0.00 H new ATOM 0 HD2 ARG A 24 7.121 -6.745 -11.043 1.00 0.00 H new ATOM 0 HD3 ARG A 24 5.379 -6.880 -10.908 1.00 0.00 H new ATOM 0 HE ARG A 24 6.908 -4.432 -10.055 1.00 0.00 H new ATOM 0 HH11 ARG A 24 3.993 -5.993 -11.312 1.00 0.00 H new ATOM 0 HH12 ARG A 24 3.230 -4.472 -11.786 1.00 0.00 H new ATOM 0 HH21 ARG A 24 5.919 -2.467 -10.694 1.00 0.00 H new ATOM 0 HH22 ARG A 24 4.317 -2.486 -11.438 1.00 0.00 H new ATOM 390 N ALA A 25 8.096 -8.456 -5.927 1.00 0.00 N ATOM 391 CA ALA A 25 9.355 -8.038 -5.273 1.00 0.00 C ATOM 392 C ALA A 25 10.196 -9.221 -4.805 1.00 0.00 C ATOM 393 O ALA A 25 11.082 -9.054 -3.969 1.00 0.00 O ATOM 394 CB ALA A 25 9.060 -7.116 -4.107 1.00 0.00 C ATOM 0 H ALA A 25 7.281 -8.414 -5.315 1.00 0.00 H new ATOM 0 HA ALA A 25 9.940 -7.506 -6.023 1.00 0.00 H new ATOM 0 HB1 ALA A 25 9.995 -6.816 -3.635 1.00 0.00 H new ATOM 0 HB2 ALA A 25 8.535 -6.231 -4.467 1.00 0.00 H new ATOM 0 HB3 ALA A 25 8.437 -7.637 -3.380 1.00 0.00 H new ATOM 400 N GLU A 26 9.942 -10.388 -5.399 1.00 0.00 N ATOM 401 CA GLU A 26 10.606 -11.642 -5.059 1.00 0.00 C ATOM 402 C GLU A 26 12.130 -11.466 -5.015 1.00 0.00 C ATOM 403 O GLU A 26 12.750 -11.721 -3.977 1.00 0.00 O ATOM 404 CB GLU A 26 10.210 -12.717 -6.069 1.00 0.00 C ATOM 405 CG GLU A 26 8.713 -12.958 -6.118 1.00 0.00 C ATOM 406 CD GLU A 26 8.294 -13.889 -7.218 1.00 0.00 C ATOM 407 OE1 GLU A 26 8.281 -15.121 -7.008 1.00 0.00 O ATOM 408 OE2 GLU A 26 7.923 -13.407 -8.301 1.00 0.00 O ATOM 0 H GLU A 26 9.254 -10.487 -6.145 1.00 0.00 H new ATOM 0 HA GLU A 26 10.286 -11.952 -4.064 1.00 0.00 H new ATOM 0 HB2 GLU A 26 10.558 -12.424 -7.059 1.00 0.00 H new ATOM 0 HB3 GLU A 26 10.715 -13.649 -5.816 1.00 0.00 H new ATOM 0 HG2 GLU A 26 8.387 -13.368 -5.162 1.00 0.00 H new ATOM 0 HG3 GLU A 26 8.203 -12.003 -6.246 1.00 0.00 H new ATOM 415 N GLY A 27 12.698 -11.007 -6.141 1.00 0.00 N ATOM 416 CA GLY A 27 14.121 -10.678 -6.252 1.00 0.00 C ATOM 417 C GLY A 27 15.059 -11.746 -5.732 1.00 0.00 C ATOM 418 O GLY A 27 15.371 -12.707 -6.430 1.00 0.00 O ATOM 0 H GLY A 27 12.176 -10.854 -7.004 1.00 0.00 H new ATOM 0 HA2 GLY A 27 14.355 -10.486 -7.299 1.00 0.00 H new ATOM 0 HA3 GLY A 27 14.309 -9.752 -5.709 1.00 0.00 H new ATOM 422 N ALA A 28 15.490 -11.567 -4.507 1.00 0.00 N ATOM 423 CA ALA A 28 16.398 -12.480 -3.864 1.00 0.00 C ATOM 424 C ALA A 28 15.676 -13.219 -2.762 1.00 0.00 C ATOM 425 O ALA A 28 15.399 -14.415 -2.854 1.00 0.00 O ATOM 426 CB ALA A 28 17.588 -11.723 -3.277 1.00 0.00 C ATOM 0 H ALA A 28 15.217 -10.776 -3.925 1.00 0.00 H new ATOM 0 HA ALA A 28 16.764 -13.191 -4.604 1.00 0.00 H new ATOM 0 HB1 ALA A 28 18.265 -12.428 -2.794 1.00 0.00 H new ATOM 0 HB2 ALA A 28 18.116 -11.200 -4.075 1.00 0.00 H new ATOM 0 HB3 ALA A 28 17.233 -11.000 -2.543 1.00 0.00 H new ATOM 432 N THR A 29 15.362 -12.491 -1.736 1.00 0.00 N ATOM 433 CA THR A 29 14.711 -12.992 -0.579 1.00 0.00 C ATOM 434 C THR A 29 13.551 -12.092 -0.232 1.00 0.00 C ATOM 435 O THR A 29 13.401 -11.017 -0.826 1.00 0.00 O ATOM 436 CB THR A 29 15.704 -13.015 0.590 1.00 0.00 C ATOM 437 OG1 THR A 29 16.544 -11.840 0.525 1.00 0.00 O ATOM 438 CG2 THR A 29 16.555 -14.272 0.591 1.00 0.00 C ATOM 0 H THR A 29 15.563 -11.492 -1.686 1.00 0.00 H new ATOM 0 HA THR A 29 14.347 -14.001 -0.770 1.00 0.00 H new ATOM 0 HB THR A 29 15.134 -13.015 1.519 1.00 0.00 H new ATOM 0 HG1 THR A 29 17.165 -11.840 1.283 1.00 0.00 H new ATOM 0 HG21 THR A 29 17.243 -14.245 1.436 1.00 0.00 H new ATOM 0 HG22 THR A 29 15.911 -15.147 0.676 1.00 0.00 H new ATOM 0 HG23 THR A 29 17.123 -14.328 -0.338 1.00 0.00 H new ATOM 446 N GLU A 30 12.770 -12.487 0.765 1.00 0.00 N ATOM 447 CA GLU A 30 11.601 -11.726 1.202 1.00 0.00 C ATOM 448 C GLU A 30 12.036 -10.407 1.844 1.00 0.00 C ATOM 449 O GLU A 30 11.235 -9.531 2.110 1.00 0.00 O ATOM 450 CB GLU A 30 10.773 -12.563 2.172 1.00 0.00 C ATOM 451 CG GLU A 30 9.410 -11.987 2.513 1.00 0.00 C ATOM 452 CD GLU A 30 8.649 -12.871 3.447 1.00 0.00 C ATOM 453 OE1 GLU A 30 8.042 -13.856 2.984 1.00 0.00 O ATOM 454 OE2 GLU A 30 8.667 -12.629 4.666 1.00 0.00 O ATOM 0 H GLU A 30 12.927 -13.344 1.295 1.00 0.00 H new ATOM 0 HA GLU A 30 10.982 -11.489 0.337 1.00 0.00 H new ATOM 0 HB2 GLU A 30 10.635 -13.556 1.745 1.00 0.00 H new ATOM 0 HB3 GLU A 30 11.339 -12.689 3.095 1.00 0.00 H new ATOM 0 HG2 GLU A 30 9.535 -11.003 2.965 1.00 0.00 H new ATOM 0 HG3 GLU A 30 8.836 -11.847 1.597 1.00 0.00 H new ATOM 461 N GLU A 31 13.329 -10.286 2.071 1.00 0.00 N ATOM 462 CA GLU A 31 13.935 -9.074 2.580 1.00 0.00 C ATOM 463 C GLU A 31 13.703 -7.954 1.590 1.00 0.00 C ATOM 464 O GLU A 31 13.495 -6.806 1.967 1.00 0.00 O ATOM 465 CB GLU A 31 15.431 -9.270 2.706 1.00 0.00 C ATOM 466 CG GLU A 31 15.829 -10.479 3.496 1.00 0.00 C ATOM 467 CD GLU A 31 17.307 -10.615 3.597 1.00 0.00 C ATOM 468 OE1 GLU A 31 17.921 -10.004 4.487 1.00 0.00 O ATOM 469 OE2 GLU A 31 17.887 -11.353 2.790 1.00 0.00 O ATOM 0 H GLU A 31 13.997 -11.039 1.904 1.00 0.00 H new ATOM 0 HA GLU A 31 13.498 -8.836 3.550 1.00 0.00 H new ATOM 0 HB2 GLU A 31 15.861 -9.345 1.707 1.00 0.00 H new ATOM 0 HB3 GLU A 31 15.864 -8.386 3.174 1.00 0.00 H new ATOM 0 HG2 GLU A 31 15.401 -10.416 4.497 1.00 0.00 H new ATOM 0 HG3 GLU A 31 15.414 -11.371 3.028 1.00 0.00 H new ATOM 476 N ASP A 32 13.710 -8.314 0.315 1.00 0.00 N ATOM 477 CA ASP A 32 13.569 -7.348 -0.751 1.00 0.00 C ATOM 478 C ASP A 32 12.109 -6.899 -0.823 1.00 0.00 C ATOM 479 O ASP A 32 11.809 -5.704 -1.019 1.00 0.00 O ATOM 480 CB ASP A 32 14.064 -7.951 -2.079 1.00 0.00 C ATOM 481 CG ASP A 32 14.277 -6.900 -3.157 1.00 0.00 C ATOM 482 OD1 ASP A 32 14.640 -5.752 -2.819 1.00 0.00 O ATOM 483 OD2 ASP A 32 14.184 -7.214 -4.355 1.00 0.00 O ATOM 0 H ASP A 32 13.813 -9.278 -0.003 1.00 0.00 H new ATOM 0 HA ASP A 32 14.183 -6.469 -0.554 1.00 0.00 H new ATOM 0 HB2 ASP A 32 15.000 -8.483 -1.906 1.00 0.00 H new ATOM 0 HB3 ASP A 32 13.340 -8.686 -2.432 1.00 0.00 H new ATOM 488 N ASP A 33 11.213 -7.858 -0.587 1.00 0.00 N ATOM 489 CA ASP A 33 9.768 -7.607 -0.491 1.00 0.00 C ATOM 490 C ASP A 33 9.503 -6.672 0.673 1.00 0.00 C ATOM 491 O ASP A 33 8.955 -5.570 0.516 1.00 0.00 O ATOM 492 CB ASP A 33 8.985 -8.908 -0.197 1.00 0.00 C ATOM 493 CG ASP A 33 9.023 -9.960 -1.272 1.00 0.00 C ATOM 494 OD1 ASP A 33 8.162 -9.933 -2.167 1.00 0.00 O ATOM 495 OD2 ASP A 33 9.850 -10.897 -1.184 1.00 0.00 O ATOM 0 H ASP A 33 11.467 -8.837 -0.456 1.00 0.00 H new ATOM 0 HA ASP A 33 9.446 -7.185 -1.443 1.00 0.00 H new ATOM 0 HB2 ASP A 33 9.375 -9.343 0.723 1.00 0.00 H new ATOM 0 HB3 ASP A 33 7.944 -8.647 -0.009 1.00 0.00 H new ATOM 500 N ASN A 34 9.947 -7.117 1.840 1.00 0.00 N ATOM 501 CA ASN A 34 9.769 -6.450 3.126 1.00 0.00 C ATOM 502 C ASN A 34 10.271 -5.019 3.102 1.00 0.00 C ATOM 503 O ASN A 34 9.647 -4.136 3.670 1.00 0.00 O ATOM 504 CB ASN A 34 10.507 -7.248 4.201 1.00 0.00 C ATOM 505 CG ASN A 34 10.401 -6.687 5.607 1.00 0.00 C ATOM 506 OD1 ASN A 34 9.388 -6.099 6.006 1.00 0.00 O ATOM 507 ND2 ASN A 34 11.451 -6.855 6.363 1.00 0.00 N ATOM 0 H ASN A 34 10.465 -7.992 1.922 1.00 0.00 H new ATOM 0 HA ASN A 34 8.702 -6.410 3.347 1.00 0.00 H new ATOM 0 HB2 ASN A 34 10.121 -8.267 4.203 1.00 0.00 H new ATOM 0 HB3 ASN A 34 11.561 -7.307 3.929 1.00 0.00 H new ATOM 0 HD21 ASN A 34 11.455 -6.496 7.318 1.00 0.00 H new ATOM 0 HD22 ASN A 34 12.268 -7.345 5.999 1.00 0.00 H new ATOM 514 N LYS A 35 11.358 -4.781 2.388 1.00 0.00 N ATOM 515 CA LYS A 35 11.959 -3.508 2.300 1.00 0.00 C ATOM 516 C LYS A 35 10.994 -2.506 1.669 1.00 0.00 C ATOM 517 O LYS A 35 10.906 -1.348 2.104 1.00 0.00 O ATOM 518 CB LYS A 35 13.231 -3.653 1.492 1.00 0.00 C ATOM 519 CG LYS A 35 13.914 -2.375 1.208 1.00 0.00 C ATOM 520 CD LYS A 35 15.201 -2.565 0.399 1.00 0.00 C ATOM 521 CE LYS A 35 16.210 -3.484 1.099 1.00 0.00 C ATOM 522 NZ LYS A 35 16.612 -2.984 2.438 1.00 0.00 N ATOM 0 H LYS A 35 11.841 -5.500 1.849 1.00 0.00 H new ATOM 0 HA LYS A 35 12.203 -3.124 3.291 1.00 0.00 H new ATOM 0 HB2 LYS A 35 13.917 -4.308 2.029 1.00 0.00 H new ATOM 0 HB3 LYS A 35 12.995 -4.144 0.548 1.00 0.00 H new ATOM 0 HG2 LYS A 35 13.238 -1.719 0.660 1.00 0.00 H new ATOM 0 HG3 LYS A 35 14.150 -1.876 2.148 1.00 0.00 H new ATOM 0 HD2 LYS A 35 14.953 -2.981 -0.578 1.00 0.00 H new ATOM 0 HD3 LYS A 35 15.662 -1.593 0.224 1.00 0.00 H new ATOM 0 HE2 LYS A 35 15.777 -4.479 1.203 1.00 0.00 H new ATOM 0 HE3 LYS A 35 17.097 -3.586 0.473 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 17.332 -3.616 2.843 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 17.005 -2.025 2.347 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 15.781 -2.960 3.063 1.00 0.00 H new ATOM 536 N LEU A 36 10.251 -2.961 0.679 1.00 0.00 N ATOM 537 CA LEU A 36 9.250 -2.129 0.059 1.00 0.00 C ATOM 538 C LEU A 36 8.100 -1.960 1.008 1.00 0.00 C ATOM 539 O LEU A 36 7.662 -0.844 1.262 1.00 0.00 O ATOM 540 CB LEU A 36 8.746 -2.733 -1.248 1.00 0.00 C ATOM 541 CG LEU A 36 9.751 -2.831 -2.384 1.00 0.00 C ATOM 542 CD1 LEU A 36 9.120 -3.515 -3.572 1.00 0.00 C ATOM 543 CD2 LEU A 36 10.259 -1.450 -2.775 1.00 0.00 C ATOM 0 H LEU A 36 10.325 -3.901 0.290 1.00 0.00 H new ATOM 0 HA LEU A 36 9.701 -1.164 -0.172 1.00 0.00 H new ATOM 0 HB2 LEU A 36 8.370 -3.734 -1.038 1.00 0.00 H new ATOM 0 HB3 LEU A 36 7.899 -2.140 -1.593 1.00 0.00 H new ATOM 0 HG LEU A 36 10.602 -3.422 -2.046 1.00 0.00 H new ATOM 0 HD11 LEU A 36 9.847 -3.581 -4.382 1.00 0.00 H new ATOM 0 HD12 LEU A 36 8.801 -4.518 -3.287 1.00 0.00 H new ATOM 0 HD13 LEU A 36 8.256 -2.941 -3.906 1.00 0.00 H new ATOM 0 HD21 LEU A 36 10.977 -1.544 -3.590 1.00 0.00 H new ATOM 0 HD22 LEU A 36 9.421 -0.832 -3.099 1.00 0.00 H new ATOM 0 HD23 LEU A 36 10.743 -0.984 -1.917 1.00 0.00 H new ATOM 555 N VAL A 37 7.661 -3.077 1.584 1.00 0.00 N ATOM 556 CA VAL A 37 6.522 -3.089 2.495 1.00 0.00 C ATOM 557 C VAL A 37 6.688 -2.059 3.602 1.00 0.00 C ATOM 558 O VAL A 37 5.778 -1.298 3.872 1.00 0.00 O ATOM 559 CB VAL A 37 6.280 -4.479 3.149 1.00 0.00 C ATOM 560 CG1 VAL A 37 5.022 -4.436 3.997 1.00 0.00 C ATOM 561 CG2 VAL A 37 6.155 -5.565 2.108 1.00 0.00 C ATOM 0 H VAL A 37 8.083 -3.993 1.433 1.00 0.00 H new ATOM 0 HA VAL A 37 5.657 -2.844 1.878 1.00 0.00 H new ATOM 0 HB VAL A 37 7.141 -4.710 3.777 1.00 0.00 H new ATOM 0 HG11 VAL A 37 4.857 -5.412 4.453 1.00 0.00 H new ATOM 0 HG12 VAL A 37 5.136 -3.685 4.779 1.00 0.00 H new ATOM 0 HG13 VAL A 37 4.169 -4.180 3.369 1.00 0.00 H new ATOM 0 HG21 VAL A 37 5.987 -6.523 2.600 1.00 0.00 H new ATOM 0 HG22 VAL A 37 5.315 -5.343 1.449 1.00 0.00 H new ATOM 0 HG23 VAL A 37 7.073 -5.615 1.522 1.00 0.00 H new ATOM 571 N ARG A 38 7.871 -2.000 4.186 1.00 0.00 N ATOM 572 CA ARG A 38 8.108 -1.102 5.305 1.00 0.00 C ATOM 573 C ARG A 38 8.015 0.368 4.913 1.00 0.00 C ATOM 574 O ARG A 38 7.458 1.161 5.666 1.00 0.00 O ATOM 575 CB ARG A 38 9.438 -1.364 6.004 1.00 0.00 C ATOM 576 CG ARG A 38 9.668 -2.808 6.381 1.00 0.00 C ATOM 577 CD ARG A 38 10.707 -2.940 7.463 1.00 0.00 C ATOM 578 NE ARG A 38 11.974 -2.296 7.124 1.00 0.00 N ATOM 579 CZ ARG A 38 12.818 -1.792 8.026 1.00 0.00 C ATOM 580 NH1 ARG A 38 12.521 -1.844 9.318 1.00 0.00 N ATOM 581 NH2 ARG A 38 13.955 -1.240 7.641 1.00 0.00 N ATOM 0 H ARG A 38 8.678 -2.558 3.908 1.00 0.00 H new ATOM 0 HA ARG A 38 7.305 -1.319 6.009 1.00 0.00 H new ATOM 0 HB2 ARG A 38 10.248 -1.037 5.352 1.00 0.00 H new ATOM 0 HB3 ARG A 38 9.488 -0.753 6.905 1.00 0.00 H new ATOM 0 HG2 ARG A 38 8.731 -3.250 6.720 1.00 0.00 H new ATOM 0 HG3 ARG A 38 9.985 -3.368 5.501 1.00 0.00 H new ATOM 0 HD2 ARG A 38 10.320 -2.505 8.384 1.00 0.00 H new ATOM 0 HD3 ARG A 38 10.885 -3.997 7.660 1.00 0.00 H new ATOM 0 HE ARG A 38 12.228 -2.228 6.139 1.00 0.00 H new ATOM 0 HH11 ARG A 38 11.646 -2.270 9.623 1.00 0.00 H new ATOM 0 HH12 ARG A 38 13.168 -1.458 10.006 1.00 0.00 H new ATOM 0 HH21 ARG A 38 14.191 -1.198 6.650 1.00 0.00 H new ATOM 0 HH22 ARG A 38 14.596 -0.856 8.335 1.00 0.00 H new ATOM 595 N GLU A 39 8.526 0.749 3.726 1.00 0.00 N ATOM 596 CA GLU A 39 8.449 2.158 3.356 1.00 0.00 C ATOM 597 C GLU A 39 7.007 2.521 3.081 1.00 0.00 C ATOM 598 O GLU A 39 6.557 3.618 3.408 1.00 0.00 O ATOM 599 CB GLU A 39 9.338 2.562 2.160 1.00 0.00 C ATOM 600 CG GLU A 39 8.890 2.055 0.796 1.00 0.00 C ATOM 601 CD GLU A 39 9.567 2.804 -0.323 1.00 0.00 C ATOM 602 OE1 GLU A 39 10.818 2.807 -0.412 1.00 0.00 O ATOM 603 OE2 GLU A 39 8.865 3.467 -1.099 1.00 0.00 O ATOM 0 H GLU A 39 8.972 0.133 3.046 1.00 0.00 H new ATOM 0 HA GLU A 39 8.841 2.718 4.205 1.00 0.00 H new ATOM 0 HB2 GLU A 39 9.390 3.650 2.122 1.00 0.00 H new ATOM 0 HB3 GLU A 39 10.349 2.201 2.346 1.00 0.00 H new ATOM 0 HG2 GLU A 39 9.114 0.992 0.711 1.00 0.00 H new ATOM 0 HG3 GLU A 39 7.809 2.162 0.704 1.00 0.00 H new ATOM 610 N PHE A 40 6.271 1.575 2.533 1.00 0.00 N ATOM 611 CA PHE A 40 4.886 1.776 2.261 1.00 0.00 C ATOM 612 C PHE A 40 4.078 1.791 3.548 1.00 0.00 C ATOM 613 O PHE A 40 3.194 2.612 3.695 1.00 0.00 O ATOM 614 CB PHE A 40 4.353 0.791 1.228 1.00 0.00 C ATOM 615 CG PHE A 40 4.931 0.999 -0.164 1.00 0.00 C ATOM 616 CD1 PHE A 40 4.638 2.143 -0.882 1.00 0.00 C ATOM 617 CD2 PHE A 40 5.742 0.045 -0.751 1.00 0.00 C ATOM 618 CE1 PHE A 40 5.148 2.330 -2.154 1.00 0.00 C ATOM 619 CE2 PHE A 40 6.256 0.226 -2.020 1.00 0.00 C ATOM 620 CZ PHE A 40 5.960 1.368 -2.723 1.00 0.00 C ATOM 0 H PHE A 40 6.625 0.655 2.270 1.00 0.00 H new ATOM 0 HA PHE A 40 4.772 2.760 1.806 1.00 0.00 H new ATOM 0 HB2 PHE A 40 4.575 -0.224 1.557 1.00 0.00 H new ATOM 0 HB3 PHE A 40 3.268 0.880 1.179 1.00 0.00 H new ATOM 0 HD1 PHE A 40 4.003 2.900 -0.445 1.00 0.00 H new ATOM 0 HD2 PHE A 40 5.978 -0.858 -0.207 1.00 0.00 H new ATOM 0 HE1 PHE A 40 4.911 3.229 -2.703 1.00 0.00 H new ATOM 0 HE2 PHE A 40 6.890 -0.530 -2.459 1.00 0.00 H new ATOM 0 HZ PHE A 40 6.360 1.513 -3.716 1.00 0.00 H new ATOM 630 N GLU A 41 4.410 0.915 4.502 1.00 0.00 N ATOM 631 CA GLU A 41 3.810 0.949 5.840 1.00 0.00 C ATOM 632 C GLU A 41 4.091 2.283 6.525 1.00 0.00 C ATOM 633 O GLU A 41 3.355 2.708 7.399 1.00 0.00 O ATOM 634 CB GLU A 41 4.332 -0.171 6.727 1.00 0.00 C ATOM 635 CG GLU A 41 3.751 -1.550 6.470 1.00 0.00 C ATOM 636 CD GLU A 41 4.264 -2.549 7.461 1.00 0.00 C ATOM 637 OE1 GLU A 41 5.475 -2.879 7.451 1.00 0.00 O ATOM 638 OE2 GLU A 41 3.472 -2.990 8.316 1.00 0.00 O ATOM 0 H GLU A 41 5.094 0.170 4.371 1.00 0.00 H new ATOM 0 HA GLU A 41 2.737 0.817 5.703 1.00 0.00 H new ATOM 0 HB2 GLU A 41 5.414 -0.227 6.609 1.00 0.00 H new ATOM 0 HB3 GLU A 41 4.138 0.095 7.766 1.00 0.00 H new ATOM 0 HG2 GLU A 41 2.663 -1.505 6.525 1.00 0.00 H new ATOM 0 HG3 GLU A 41 4.006 -1.872 5.460 1.00 0.00 H new ATOM 645 N ARG A 42 5.163 2.923 6.137 1.00 0.00 N ATOM 646 CA ARG A 42 5.503 4.221 6.663 1.00 0.00 C ATOM 647 C ARG A 42 4.672 5.286 5.990 1.00 0.00 C ATOM 648 O ARG A 42 4.061 6.103 6.654 1.00 0.00 O ATOM 649 CB ARG A 42 6.977 4.493 6.471 1.00 0.00 C ATOM 650 CG ARG A 42 7.443 5.779 7.101 1.00 0.00 C ATOM 651 CD ARG A 42 8.958 5.894 7.061 1.00 0.00 C ATOM 652 NE ARG A 42 9.461 6.026 5.682 1.00 0.00 N ATOM 653 CZ ARG A 42 10.572 5.444 5.186 1.00 0.00 C ATOM 654 NH1 ARG A 42 11.266 4.565 5.907 1.00 0.00 N ATOM 655 NH2 ARG A 42 10.960 5.725 3.949 1.00 0.00 N ATOM 0 H ARG A 42 5.824 2.561 5.449 1.00 0.00 H new ATOM 0 HA ARG A 42 5.288 4.238 7.731 1.00 0.00 H new ATOM 0 HB2 ARG A 42 7.548 3.665 6.892 1.00 0.00 H new ATOM 0 HB3 ARG A 42 7.196 4.522 5.404 1.00 0.00 H new ATOM 0 HG2 ARG A 42 6.998 6.625 6.578 1.00 0.00 H new ATOM 0 HG3 ARG A 42 7.099 5.826 8.134 1.00 0.00 H new ATOM 0 HD2 ARG A 42 9.272 6.758 7.647 1.00 0.00 H new ATOM 0 HD3 ARG A 42 9.402 5.014 7.527 1.00 0.00 H new ATOM 0 HE ARG A 42 8.920 6.611 5.045 1.00 0.00 H new ATOM 0 HH11 ARG A 42 10.959 4.323 6.849 1.00 0.00 H new ATOM 0 HH12 ARG A 42 12.104 4.134 5.517 1.00 0.00 H new ATOM 0 HH21 ARG A 42 10.419 6.377 3.381 1.00 0.00 H new ATOM 0 HH22 ARG A 42 11.799 5.289 3.566 1.00 0.00 H new ATOM 669 N LEU A 43 4.643 5.250 4.679 1.00 0.00 N ATOM 670 CA LEU A 43 3.859 6.194 3.869 1.00 0.00 C ATOM 671 C LEU A 43 2.375 6.148 4.253 1.00 0.00 C ATOM 672 O LEU A 43 1.701 7.167 4.340 1.00 0.00 O ATOM 673 CB LEU A 43 4.014 5.842 2.386 1.00 0.00 C ATOM 674 CG LEU A 43 5.413 5.981 1.798 1.00 0.00 C ATOM 675 CD1 LEU A 43 5.445 5.396 0.406 1.00 0.00 C ATOM 676 CD2 LEU A 43 5.827 7.443 1.753 1.00 0.00 C ATOM 0 H LEU A 43 5.161 4.566 4.127 1.00 0.00 H new ATOM 0 HA LEU A 43 4.231 7.201 4.055 1.00 0.00 H new ATOM 0 HB2 LEU A 43 3.684 4.813 2.243 1.00 0.00 H new ATOM 0 HB3 LEU A 43 3.338 6.476 1.812 1.00 0.00 H new ATOM 0 HG LEU A 43 6.114 5.439 2.433 1.00 0.00 H new ATOM 0 HD11 LEU A 43 6.448 5.499 -0.009 1.00 0.00 H new ATOM 0 HD12 LEU A 43 5.176 4.341 0.449 1.00 0.00 H new ATOM 0 HD13 LEU A 43 4.734 5.926 -0.228 1.00 0.00 H new ATOM 0 HD21 LEU A 43 6.828 7.525 1.331 1.00 0.00 H new ATOM 0 HD22 LEU A 43 5.125 8.001 1.133 1.00 0.00 H new ATOM 0 HD23 LEU A 43 5.825 7.853 2.763 1.00 0.00 H new ATOM 688 N THR A 44 1.907 4.967 4.525 1.00 0.00 N ATOM 689 CA THR A 44 0.515 4.753 4.847 1.00 0.00 C ATOM 690 C THR A 44 0.281 4.968 6.323 1.00 0.00 C ATOM 691 O THR A 44 -0.772 5.479 6.736 1.00 0.00 O ATOM 692 CB THR A 44 0.099 3.305 4.476 1.00 0.00 C ATOM 693 OG1 THR A 44 0.964 2.373 5.137 1.00 0.00 O ATOM 694 CG2 THR A 44 0.226 3.091 2.997 1.00 0.00 C ATOM 0 H THR A 44 2.474 4.119 4.532 1.00 0.00 H new ATOM 0 HA THR A 44 -0.083 5.464 4.277 1.00 0.00 H new ATOM 0 HB THR A 44 -0.935 3.153 4.785 1.00 0.00 H new ATOM 0 HG1 THR A 44 1.738 2.184 4.567 1.00 0.00 H new ATOM 0 HG21 THR A 44 -0.069 2.071 2.750 1.00 0.00 H new ATOM 0 HG22 THR A 44 -0.421 3.793 2.471 1.00 0.00 H new ATOM 0 HG23 THR A 44 1.260 3.253 2.693 1.00 0.00 H new ATOM 702 N GLU A 45 1.310 4.605 7.107 1.00 0.00 N ATOM 703 CA GLU A 45 1.250 4.508 8.560 1.00 0.00 C ATOM 704 C GLU A 45 0.218 3.467 8.908 1.00 0.00 C ATOM 705 O GLU A 45 -0.373 3.474 10.002 1.00 0.00 O ATOM 706 CB GLU A 45 0.948 5.840 9.223 1.00 0.00 C ATOM 707 CG GLU A 45 1.993 6.890 8.990 1.00 0.00 C ATOM 708 CD GLU A 45 1.687 8.160 9.710 1.00 0.00 C ATOM 709 OE1 GLU A 45 0.927 8.982 9.181 1.00 0.00 O ATOM 710 OE2 GLU A 45 2.200 8.362 10.824 1.00 0.00 O ATOM 0 H GLU A 45 2.227 4.366 6.730 1.00 0.00 H new ATOM 0 HA GLU A 45 2.228 4.215 8.942 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -0.010 6.208 8.855 1.00 0.00 H new ATOM 0 HB3 GLU A 45 0.839 5.683 10.296 1.00 0.00 H new ATOM 0 HG2 GLU A 45 2.963 6.514 9.317 1.00 0.00 H new ATOM 0 HG3 GLU A 45 2.072 7.090 7.921 1.00 0.00 H new ATOM 717 N HIS A 46 0.051 2.525 7.983 1.00 0.00 N ATOM 718 CA HIS A 46 -0.947 1.539 8.100 1.00 0.00 C ATOM 719 C HIS A 46 -0.427 0.353 8.932 1.00 0.00 C ATOM 720 O HIS A 46 0.573 -0.279 8.588 1.00 0.00 O ATOM 721 CB HIS A 46 -1.481 1.094 6.711 1.00 0.00 C ATOM 722 CG HIS A 46 -2.748 0.328 6.821 1.00 0.00 C ATOM 723 ND1 HIS A 46 -2.827 -0.880 7.431 1.00 0.00 N ATOM 724 CD2 HIS A 46 -4.011 0.718 6.598 1.00 0.00 C ATOM 725 CE1 HIS A 46 -4.100 -1.166 7.613 1.00 0.00 C ATOM 726 NE2 HIS A 46 -4.871 -0.237 7.107 1.00 0.00 N ATOM 0 H HIS A 46 0.620 2.449 7.140 1.00 0.00 H new ATOM 0 HA HIS A 46 -1.797 1.970 8.628 1.00 0.00 H new ATOM 0 HB2 HIS A 46 -1.642 1.972 6.086 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -0.729 0.482 6.213 1.00 0.00 H new ATOM 0 HD2 HIS A 46 -4.308 1.630 6.101 1.00 0.00 H new ATOM 0 HE1 HIS A 46 -4.461 -2.052 8.115 1.00 0.00 H new ATOM 0 HE2 HIS A 46 -5.891 -0.221 7.092 1.00 0.00 H new ATOM 734 N PRO A 47 -1.151 0.035 10.004 1.00 0.00 N ATOM 735 CA PRO A 47 -0.792 -0.997 10.990 1.00 0.00 C ATOM 736 C PRO A 47 -0.681 -2.359 10.405 1.00 0.00 C ATOM 737 O PRO A 47 0.226 -3.127 10.702 1.00 0.00 O ATOM 738 CB PRO A 47 -1.985 -0.979 11.933 1.00 0.00 C ATOM 739 CG PRO A 47 -3.054 -0.226 11.271 1.00 0.00 C ATOM 740 CD PRO A 47 -2.399 0.687 10.352 1.00 0.00 C ATOM 0 HA PRO A 47 0.178 -0.790 11.441 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -2.312 -1.994 12.157 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -1.718 -0.513 12.882 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -3.729 -0.896 10.739 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -3.654 0.319 11.999 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -3.012 0.865 9.468 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -2.222 1.657 10.817 1.00 0.00 H new ATOM 748 N ASP A 48 -1.591 -2.646 9.563 1.00 0.00 N ATOM 749 CA ASP A 48 -1.700 -3.919 8.991 1.00 0.00 C ATOM 750 C ASP A 48 -1.183 -3.854 7.598 1.00 0.00 C ATOM 751 O ASP A 48 -1.529 -4.663 6.794 1.00 0.00 O ATOM 752 CB ASP A 48 -3.159 -4.397 8.976 1.00 0.00 C ATOM 753 CG ASP A 48 -3.768 -4.516 10.344 1.00 0.00 C ATOM 754 OD1 ASP A 48 -4.222 -3.507 10.881 1.00 0.00 O ATOM 755 OD2 ASP A 48 -3.838 -5.626 10.887 1.00 0.00 O ATOM 0 H ASP A 48 -2.298 -1.983 9.246 1.00 0.00 H new ATOM 0 HA ASP A 48 -1.121 -4.627 9.584 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -3.754 -3.703 8.382 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -3.210 -5.366 8.479 1.00 0.00 H new ATOM 760 N GLY A 49 -0.333 -2.859 7.327 1.00 0.00 N ATOM 761 CA GLY A 49 0.267 -2.712 5.971 1.00 0.00 C ATOM 762 C GLY A 49 0.943 -3.956 5.523 1.00 0.00 C ATOM 763 O GLY A 49 0.827 -4.363 4.374 1.00 0.00 O ATOM 0 H GLY A 49 -0.042 -2.152 8.002 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -0.512 -2.446 5.257 1.00 0.00 H new ATOM 0 HA3 GLY A 49 0.985 -1.892 5.979 1.00 0.00 H new ATOM 767 N SER A 50 1.571 -4.589 6.434 1.00 0.00 N ATOM 768 CA SER A 50 2.223 -5.825 6.162 1.00 0.00 C ATOM 769 C SER A 50 1.175 -6.956 6.133 1.00 0.00 C ATOM 770 O SER A 50 1.146 -7.794 5.227 1.00 0.00 O ATOM 771 CB SER A 50 3.265 -6.032 7.236 1.00 0.00 C ATOM 772 OG SER A 50 2.665 -5.867 8.523 1.00 0.00 O ATOM 0 H SER A 50 1.653 -4.270 7.399 1.00 0.00 H new ATOM 0 HA SER A 50 2.716 -5.823 5.190 1.00 0.00 H new ATOM 0 HB2 SER A 50 3.698 -7.029 7.150 1.00 0.00 H new ATOM 0 HB3 SER A 50 4.080 -5.319 7.109 1.00 0.00 H new ATOM 0 HG SER A 50 2.837 -4.959 8.850 1.00 0.00 H new ATOM 778 N ASP A 51 0.280 -6.900 7.093 1.00 0.00 N ATOM 779 CA ASP A 51 -0.828 -7.853 7.279 1.00 0.00 C ATOM 780 C ASP A 51 -1.837 -7.879 6.117 1.00 0.00 C ATOM 781 O ASP A 51 -2.702 -8.731 6.086 1.00 0.00 O ATOM 782 CB ASP A 51 -1.588 -7.544 8.567 1.00 0.00 C ATOM 783 CG ASP A 51 -1.031 -8.147 9.830 1.00 0.00 C ATOM 784 OD1 ASP A 51 0.039 -7.704 10.315 1.00 0.00 O ATOM 785 OD2 ASP A 51 -1.700 -9.044 10.399 1.00 0.00 O ATOM 0 H ASP A 51 0.291 -6.166 7.801 1.00 0.00 H new ATOM 0 HA ASP A 51 -0.355 -8.834 7.324 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -1.625 -6.462 8.692 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -2.616 -7.886 8.449 1.00 0.00 H new ATOM 790 N LEU A 52 -1.765 -6.919 5.226 1.00 0.00 N ATOM 791 CA LEU A 52 -2.637 -6.870 4.038 1.00 0.00 C ATOM 792 C LEU A 52 -2.001 -7.641 2.922 1.00 0.00 C ATOM 793 O LEU A 52 -2.687 -8.263 2.103 1.00 0.00 O ATOM 794 CB LEU A 52 -2.824 -5.404 3.567 1.00 0.00 C ATOM 795 CG LEU A 52 -3.469 -4.424 4.553 1.00 0.00 C ATOM 796 CD1 LEU A 52 -3.528 -3.034 3.955 1.00 0.00 C ATOM 797 CD2 LEU A 52 -4.853 -4.884 4.964 1.00 0.00 C ATOM 0 H LEU A 52 -1.107 -6.142 5.288 1.00 0.00 H new ATOM 0 HA LEU A 52 -3.604 -7.299 4.300 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -1.845 -5.011 3.293 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -3.428 -5.416 2.660 1.00 0.00 H new ATOM 0 HG LEU A 52 -2.848 -4.395 5.449 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -3.989 -2.350 4.668 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -2.518 -2.693 3.726 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -4.120 -3.056 3.040 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -5.282 -4.167 5.664 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -5.489 -4.956 4.082 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -4.785 -5.861 5.443 1.00 0.00 H new ATOM 809 N ILE A 53 -0.704 -7.599 2.905 1.00 0.00 N ATOM 810 CA ILE A 53 0.066 -8.193 1.842 1.00 0.00 C ATOM 811 C ILE A 53 0.351 -9.632 2.173 1.00 0.00 C ATOM 812 O ILE A 53 0.119 -10.535 1.374 1.00 0.00 O ATOM 813 CB ILE A 53 1.403 -7.439 1.709 1.00 0.00 C ATOM 814 CG1 ILE A 53 1.131 -5.960 1.435 1.00 0.00 C ATOM 815 CG2 ILE A 53 2.289 -8.056 0.619 1.00 0.00 C ATOM 816 CD1 ILE A 53 2.355 -5.101 1.490 1.00 0.00 C ATOM 0 H ILE A 53 -0.142 -7.151 3.629 1.00 0.00 H new ATOM 0 HA ILE A 53 -0.494 -8.134 0.909 1.00 0.00 H new ATOM 0 HB ILE A 53 1.950 -7.528 2.648 1.00 0.00 H new ATOM 0 HG12 ILE A 53 0.673 -5.861 0.451 1.00 0.00 H new ATOM 0 HG13 ILE A 53 0.407 -5.592 2.162 1.00 0.00 H new ATOM 0 HG21 ILE A 53 3.224 -7.500 0.552 1.00 0.00 H new ATOM 0 HG22 ILE A 53 2.502 -9.095 0.869 1.00 0.00 H new ATOM 0 HG23 ILE A 53 1.771 -8.012 -0.339 1.00 0.00 H new ATOM 0 HD11 ILE A 53 2.082 -4.066 1.285 1.00 0.00 H new ATOM 0 HD12 ILE A 53 2.803 -5.169 2.481 1.00 0.00 H new ATOM 0 HD13 ILE A 53 3.072 -5.442 0.743 1.00 0.00 H new ATOM 828 N TYR A 54 0.830 -9.830 3.362 1.00 0.00 N ATOM 829 CA TYR A 54 1.243 -11.114 3.815 1.00 0.00 C ATOM 830 C TYR A 54 0.076 -11.986 4.233 1.00 0.00 C ATOM 831 O TYR A 54 0.042 -13.173 3.922 1.00 0.00 O ATOM 832 CB TYR A 54 2.232 -10.966 4.957 1.00 0.00 C ATOM 833 CG TYR A 54 3.548 -10.318 4.568 1.00 0.00 C ATOM 834 CD1 TYR A 54 4.328 -10.831 3.536 1.00 0.00 C ATOM 835 CD2 TYR A 54 4.004 -9.193 5.229 1.00 0.00 C ATOM 836 CE1 TYR A 54 5.524 -10.237 3.183 1.00 0.00 C ATOM 837 CE2 TYR A 54 5.196 -8.595 4.886 1.00 0.00 C ATOM 838 CZ TYR A 54 5.954 -9.119 3.865 1.00 0.00 C ATOM 839 OH TYR A 54 7.147 -8.530 3.538 1.00 0.00 O ATOM 0 H TYR A 54 0.945 -9.089 4.053 1.00 0.00 H new ATOM 0 HA TYR A 54 1.726 -11.616 2.976 1.00 0.00 H new ATOM 0 HB2 TYR A 54 1.770 -10.375 5.747 1.00 0.00 H new ATOM 0 HB3 TYR A 54 2.436 -11.952 5.375 1.00 0.00 H new ATOM 0 HD1 TYR A 54 3.993 -11.708 3.002 1.00 0.00 H new ATOM 0 HD2 TYR A 54 3.414 -8.775 6.031 1.00 0.00 H new ATOM 0 HE1 TYR A 54 6.118 -10.645 2.379 1.00 0.00 H new ATOM 0 HE2 TYR A 54 5.535 -7.718 5.417 1.00 0.00 H new ATOM 0 HH TYR A 54 7.331 -8.671 2.586 1.00 0.00 H new ATOM 849 N TYR A 55 -0.877 -11.419 4.912 1.00 0.00 N ATOM 850 CA TYR A 55 -1.965 -12.169 5.398 1.00 0.00 C ATOM 851 C TYR A 55 -3.202 -11.747 4.644 1.00 0.00 C ATOM 852 O TYR A 55 -3.280 -10.622 4.140 1.00 0.00 O ATOM 853 CB TYR A 55 -2.147 -11.952 6.903 1.00 0.00 C ATOM 854 CG TYR A 55 -0.896 -12.185 7.726 1.00 0.00 C ATOM 855 CD1 TYR A 55 -0.196 -13.382 7.674 1.00 0.00 C ATOM 856 CD2 TYR A 55 -0.431 -11.203 8.564 1.00 0.00 C ATOM 857 CE1 TYR A 55 0.938 -13.571 8.442 1.00 0.00 C ATOM 858 CE2 TYR A 55 0.691 -11.379 9.328 1.00 0.00 C ATOM 859 CZ TYR A 55 1.374 -12.560 9.268 1.00 0.00 C ATOM 860 OH TYR A 55 2.503 -12.735 10.043 1.00 0.00 O ATOM 0 H TYR A 55 -0.910 -10.425 5.137 1.00 0.00 H new ATOM 0 HA TYR A 55 -1.780 -13.232 5.244 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -2.493 -10.932 7.071 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -2.932 -12.618 7.261 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -0.541 -14.175 7.027 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -0.965 -10.266 8.622 1.00 0.00 H new ATOM 0 HE1 TYR A 55 1.478 -14.505 8.394 1.00 0.00 H new ATOM 0 HE2 TYR A 55 1.035 -10.587 9.976 1.00 0.00 H new ATOM 0 HH TYR A 55 2.670 -11.923 10.566 1.00 0.00 H new ATOM 870 N PRO A 56 -4.133 -12.633 4.487 1.00 0.00 N ATOM 871 CA PRO A 56 -5.364 -12.340 3.805 1.00 0.00 C ATOM 872 C PRO A 56 -6.355 -11.557 4.665 1.00 0.00 C ATOM 873 O PRO A 56 -6.312 -11.562 5.904 1.00 0.00 O ATOM 874 CB PRO A 56 -5.900 -13.711 3.426 1.00 0.00 C ATOM 875 CG PRO A 56 -5.390 -14.603 4.512 1.00 0.00 C ATOM 876 CD PRO A 56 -4.050 -14.032 4.910 1.00 0.00 C ATOM 0 HA PRO A 56 -5.206 -11.691 2.943 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -6.989 -13.717 3.381 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -5.539 -14.026 2.447 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -6.076 -14.621 5.359 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -5.290 -15.630 4.161 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -3.881 -14.117 5.983 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -3.230 -14.552 4.416 1.00 0.00 H new ATOM 884 N ARG A 57 -7.196 -10.858 3.969 1.00 0.00 N ATOM 885 CA ARG A 57 -8.209 -9.969 4.500 1.00 0.00 C ATOM 886 C ARG A 57 -9.435 -10.218 3.721 1.00 0.00 C ATOM 887 O ARG A 57 -10.045 -9.301 3.295 1.00 0.00 O ATOM 888 CB ARG A 57 -7.815 -8.578 4.200 1.00 0.00 C ATOM 889 CG ARG A 57 -6.522 -8.158 4.852 1.00 0.00 C ATOM 890 CD ARG A 57 -6.810 -7.822 6.282 1.00 0.00 C ATOM 891 NE ARG A 57 -5.636 -7.897 7.163 1.00 0.00 N ATOM 892 CZ ARG A 57 -5.541 -7.246 8.328 1.00 0.00 C ATOM 893 NH1 ARG A 57 -6.310 -6.196 8.577 1.00 0.00 N ATOM 894 NH2 ARG A 57 -4.665 -7.628 9.227 1.00 0.00 N ATOM 0 H ARG A 57 -7.202 -10.887 2.949 1.00 0.00 H new ATOM 0 HA ARG A 57 -8.340 -10.124 5.571 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -7.721 -8.462 3.120 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -8.610 -7.907 4.525 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -5.786 -8.960 4.790 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -6.098 -7.296 4.336 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -7.224 -6.815 6.331 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -7.576 -8.501 6.657 1.00 0.00 H new ATOM 0 HE ARG A 57 -4.850 -8.478 6.870 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -6.981 -5.878 7.878 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -6.231 -5.706 9.468 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -4.054 -8.423 9.039 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -4.595 -7.130 10.114 1.00 0.00 H new ATOM 908 N ASP A 58 -9.720 -11.451 3.505 1.00 0.00 N ATOM 909 CA ASP A 58 -10.798 -11.999 2.595 1.00 0.00 C ATOM 910 C ASP A 58 -12.229 -11.312 2.666 1.00 0.00 C ATOM 911 O ASP A 58 -13.157 -11.698 1.962 1.00 0.00 O ATOM 912 CB ASP A 58 -10.880 -13.520 2.784 1.00 0.00 C ATOM 913 CG ASP A 58 -11.680 -14.220 1.716 1.00 0.00 C ATOM 914 OD1 ASP A 58 -11.188 -14.337 0.580 1.00 0.00 O ATOM 915 OD2 ASP A 58 -12.798 -14.688 1.994 1.00 0.00 O ATOM 0 H ASP A 58 -9.201 -12.198 3.966 1.00 0.00 H new ATOM 0 HA ASP A 58 -10.480 -11.741 1.585 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -9.870 -13.931 2.797 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -11.324 -13.733 3.757 1.00 0.00 H new ATOM 920 N ASP A 59 -12.358 -10.277 3.457 1.00 0.00 N ATOM 921 CA ASP A 59 -13.581 -9.457 3.516 1.00 0.00 C ATOM 922 C ASP A 59 -13.428 -8.385 2.456 1.00 0.00 C ATOM 923 O ASP A 59 -14.388 -7.903 1.854 1.00 0.00 O ATOM 924 CB ASP A 59 -13.728 -8.773 4.880 1.00 0.00 C ATOM 925 CG ASP A 59 -13.954 -9.726 6.015 1.00 0.00 C ATOM 926 OD1 ASP A 59 -12.971 -10.263 6.568 1.00 0.00 O ATOM 927 OD2 ASP A 59 -15.118 -9.925 6.412 1.00 0.00 O ATOM 0 H ASP A 59 -11.622 -9.963 4.090 1.00 0.00 H new ATOM 0 HA ASP A 59 -14.458 -10.084 3.358 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -12.830 -8.189 5.082 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -14.561 -8.071 4.836 1.00 0.00 H new ATOM 932 N ARG A 60 -12.179 -8.043 2.255 1.00 0.00 N ATOM 933 CA ARG A 60 -11.691 -7.140 1.274 1.00 0.00 C ATOM 934 C ARG A 60 -11.735 -7.843 -0.059 1.00 0.00 C ATOM 935 O ARG A 60 -11.784 -9.085 -0.108 1.00 0.00 O ATOM 936 CB ARG A 60 -10.219 -6.917 1.633 1.00 0.00 C ATOM 937 CG ARG A 60 -9.424 -6.108 0.687 1.00 0.00 C ATOM 938 CD ARG A 60 -7.933 -6.440 0.754 1.00 0.00 C ATOM 939 NE ARG A 60 -7.603 -7.852 0.430 1.00 0.00 N ATOM 940 CZ ARG A 60 -6.418 -8.455 0.727 1.00 0.00 C ATOM 941 NH1 ARG A 60 -5.526 -7.833 1.510 1.00 0.00 N ATOM 942 NH2 ARG A 60 -6.135 -9.670 0.275 1.00 0.00 N ATOM 0 H ARG A 60 -11.427 -8.427 2.826 1.00 0.00 H new ATOM 0 HA ARG A 60 -12.262 -6.212 1.234 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -10.175 -6.438 2.611 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -9.741 -7.892 1.733 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -9.787 -6.277 -0.327 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -9.569 -5.050 0.905 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -7.397 -5.787 0.065 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -7.568 -6.215 1.756 1.00 0.00 H new ATOM 0 HE ARG A 60 -8.312 -8.408 -0.048 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -5.734 -6.907 1.884 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -4.639 -8.285 1.732 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -6.810 -10.168 -0.305 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -5.243 -10.106 0.508 1.00 0.00 H new ATOM 956 N GLU A 61 -11.705 -7.096 -1.125 1.00 0.00 N ATOM 957 CA GLU A 61 -11.549 -7.701 -2.410 1.00 0.00 C ATOM 958 C GLU A 61 -10.149 -8.259 -2.446 1.00 0.00 C ATOM 959 O GLU A 61 -9.181 -7.551 -2.121 1.00 0.00 O ATOM 960 CB GLU A 61 -11.717 -6.702 -3.538 1.00 0.00 C ATOM 961 CG GLU A 61 -11.561 -7.332 -4.892 1.00 0.00 C ATOM 962 CD GLU A 61 -12.534 -8.460 -5.103 1.00 0.00 C ATOM 963 OE1 GLU A 61 -13.697 -8.191 -5.438 1.00 0.00 O ATOM 964 OE2 GLU A 61 -12.150 -9.646 -4.926 1.00 0.00 O ATOM 0 H GLU A 61 -11.786 -6.079 -1.128 1.00 0.00 H new ATOM 0 HA GLU A 61 -12.311 -8.467 -2.551 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -12.702 -6.241 -3.467 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -10.983 -5.904 -3.425 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -11.709 -6.576 -5.663 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -10.543 -7.705 -5.003 1.00 0.00 H new ATOM 971 N ASP A 62 -10.013 -9.494 -2.783 1.00 0.00 N ATOM 972 CA ASP A 62 -8.711 -10.085 -2.769 1.00 0.00 C ATOM 973 C ASP A 62 -7.988 -9.795 -4.063 1.00 0.00 C ATOM 974 O ASP A 62 -7.965 -10.607 -4.990 1.00 0.00 O ATOM 975 CB ASP A 62 -8.746 -11.574 -2.464 1.00 0.00 C ATOM 976 CG ASP A 62 -7.363 -12.116 -2.260 1.00 0.00 C ATOM 977 OD1 ASP A 62 -6.781 -11.858 -1.194 1.00 0.00 O ATOM 978 OD2 ASP A 62 -6.827 -12.796 -3.154 1.00 0.00 O ATOM 0 H ASP A 62 -10.773 -10.112 -3.069 1.00 0.00 H new ATOM 0 HA ASP A 62 -8.153 -9.626 -1.953 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -9.345 -11.751 -1.571 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -9.231 -12.105 -3.283 1.00 0.00 H new ATOM 983 N SER A 63 -7.524 -8.590 -4.172 1.00 0.00 N ATOM 984 CA SER A 63 -6.808 -8.163 -5.315 1.00 0.00 C ATOM 985 C SER A 63 -5.795 -7.120 -4.873 1.00 0.00 C ATOM 986 O SER A 63 -5.925 -6.580 -3.757 1.00 0.00 O ATOM 987 CB SER A 63 -7.809 -7.558 -6.317 1.00 0.00 C ATOM 988 OG SER A 63 -8.475 -6.436 -5.758 1.00 0.00 O ATOM 0 H SER A 63 -7.637 -7.872 -3.456 1.00 0.00 H new ATOM 0 HA SER A 63 -6.286 -8.992 -5.793 1.00 0.00 H new ATOM 0 HB2 SER A 63 -7.284 -7.259 -7.224 1.00 0.00 H new ATOM 0 HB3 SER A 63 -8.541 -8.313 -6.606 1.00 0.00 H new ATOM 0 HG SER A 63 -9.241 -6.196 -6.321 1.00 0.00 H new ATOM 994 N PRO A 64 -4.753 -6.831 -5.698 1.00 0.00 N ATOM 995 CA PRO A 64 -3.829 -5.715 -5.439 1.00 0.00 C ATOM 996 C PRO A 64 -4.638 -4.402 -5.306 1.00 0.00 C ATOM 997 O PRO A 64 -4.277 -3.497 -4.562 1.00 0.00 O ATOM 998 CB PRO A 64 -2.931 -5.710 -6.714 1.00 0.00 C ATOM 999 CG PRO A 64 -2.959 -7.122 -7.176 1.00 0.00 C ATOM 1000 CD PRO A 64 -4.351 -7.612 -6.895 1.00 0.00 C ATOM 0 HA PRO A 64 -3.248 -5.809 -4.521 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -3.320 -5.033 -7.474 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -1.916 -5.384 -6.487 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -2.726 -7.191 -8.239 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -2.218 -7.722 -6.648 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -5.019 -7.430 -7.737 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -4.368 -8.684 -6.700 1.00 0.00 H new ATOM 1008 N GLU A 65 -5.772 -4.370 -5.992 1.00 0.00 N ATOM 1009 CA GLU A 65 -6.693 -3.253 -5.971 1.00 0.00 C ATOM 1010 C GLU A 65 -7.348 -3.140 -4.585 1.00 0.00 C ATOM 1011 O GLU A 65 -7.356 -2.073 -3.967 1.00 0.00 O ATOM 1012 CB GLU A 65 -7.766 -3.467 -7.044 1.00 0.00 C ATOM 1013 CG GLU A 65 -7.212 -3.652 -8.454 1.00 0.00 C ATOM 1014 CD GLU A 65 -8.278 -4.032 -9.453 1.00 0.00 C ATOM 1015 OE1 GLU A 65 -8.929 -3.141 -10.017 1.00 0.00 O ATOM 1016 OE2 GLU A 65 -8.483 -5.245 -9.684 1.00 0.00 O ATOM 0 H GLU A 65 -6.079 -5.138 -6.589 1.00 0.00 H new ATOM 0 HA GLU A 65 -6.152 -2.329 -6.177 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -8.358 -4.343 -6.780 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -8.443 -2.613 -7.041 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -6.731 -2.728 -8.775 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -6.442 -4.423 -8.439 1.00 0.00 H new ATOM 1023 N GLY A 66 -7.857 -4.261 -4.095 1.00 0.00 N ATOM 1024 CA GLY A 66 -8.517 -4.300 -2.810 1.00 0.00 C ATOM 1025 C GLY A 66 -7.590 -3.997 -1.656 1.00 0.00 C ATOM 1026 O GLY A 66 -8.010 -3.424 -0.650 1.00 0.00 O ATOM 0 H GLY A 66 -7.822 -5.159 -4.577 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -9.337 -3.581 -2.808 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -8.957 -5.286 -2.665 1.00 0.00 H new ATOM 1030 N ILE A 67 -6.329 -4.391 -1.786 1.00 0.00 N ATOM 1031 CA ILE A 67 -5.327 -4.098 -0.763 1.00 0.00 C ATOM 1032 C ILE A 67 -5.172 -2.584 -0.600 1.00 0.00 C ATOM 1033 O ILE A 67 -5.054 -2.071 0.523 1.00 0.00 O ATOM 1034 CB ILE A 67 -3.964 -4.792 -1.071 1.00 0.00 C ATOM 1035 CG1 ILE A 67 -4.149 -6.324 -1.014 1.00 0.00 C ATOM 1036 CG2 ILE A 67 -2.874 -4.332 -0.097 1.00 0.00 C ATOM 1037 CD1 ILE A 67 -2.907 -7.149 -1.294 1.00 0.00 C ATOM 0 H ILE A 67 -5.974 -4.913 -2.587 1.00 0.00 H new ATOM 0 HA ILE A 67 -5.674 -4.510 0.185 1.00 0.00 H new ATOM 0 HB ILE A 67 -3.639 -4.508 -2.072 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -4.523 -6.589 -0.025 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -4.919 -6.605 -1.733 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -1.936 -4.833 -0.337 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -2.741 -3.253 -0.182 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -3.168 -4.582 0.922 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -3.152 -8.209 -1.227 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -2.539 -6.924 -2.295 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -2.137 -6.908 -0.561 1.00 0.00 H new ATOM 1049 N VAL A 68 -5.244 -1.883 -1.710 1.00 0.00 N ATOM 1050 CA VAL A 68 -5.217 -0.440 -1.711 1.00 0.00 C ATOM 1051 C VAL A 68 -6.436 0.111 -1.012 1.00 0.00 C ATOM 1052 O VAL A 68 -6.321 1.013 -0.183 1.00 0.00 O ATOM 1053 CB VAL A 68 -5.130 0.127 -3.146 1.00 0.00 C ATOM 1054 CG1 VAL A 68 -5.347 1.646 -3.174 1.00 0.00 C ATOM 1055 CG2 VAL A 68 -3.782 -0.188 -3.691 1.00 0.00 C ATOM 0 H VAL A 68 -5.323 -2.300 -2.638 1.00 0.00 H new ATOM 0 HA VAL A 68 -4.323 -0.129 -1.171 1.00 0.00 H new ATOM 0 HB VAL A 68 -5.915 -0.329 -3.749 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -5.278 2.005 -4.201 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -6.333 1.880 -2.774 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -4.584 2.134 -2.567 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -3.699 0.204 -4.705 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -3.019 0.270 -3.061 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -3.639 -1.269 -3.707 1.00 0.00 H new ATOM 1065 N LYS A 69 -7.586 -0.471 -1.307 1.00 0.00 N ATOM 1066 CA LYS A 69 -8.848 -0.014 -0.767 1.00 0.00 C ATOM 1067 C LYS A 69 -8.866 -0.034 0.763 1.00 0.00 C ATOM 1068 O LYS A 69 -9.423 0.874 1.385 1.00 0.00 O ATOM 1069 CB LYS A 69 -10.010 -0.795 -1.351 1.00 0.00 C ATOM 1070 CG LYS A 69 -11.357 -0.181 -1.002 1.00 0.00 C ATOM 1071 CD LYS A 69 -12.347 -0.317 -2.135 1.00 0.00 C ATOM 1072 CE LYS A 69 -11.933 0.556 -3.319 1.00 0.00 C ATOM 1073 NZ LYS A 69 -12.873 0.437 -4.451 1.00 0.00 N ATOM 0 H LYS A 69 -7.667 -1.275 -1.929 1.00 0.00 H new ATOM 0 HA LYS A 69 -8.965 1.028 -1.065 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -9.905 -0.841 -2.435 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -9.976 -1.821 -0.984 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -11.757 -0.664 -0.110 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -11.224 0.874 -0.760 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -12.408 -1.359 -2.449 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -13.341 -0.028 -1.793 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -11.880 1.597 -3.000 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -10.933 0.271 -3.647 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -12.555 1.045 -5.232 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -12.905 -0.551 -4.773 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -13.822 0.733 -4.147 1.00 0.00 H new ATOM 1087 N GLU A 70 -8.222 -1.033 1.359 1.00 0.00 N ATOM 1088 CA GLU A 70 -8.098 -1.111 2.818 1.00 0.00 C ATOM 1089 C GLU A 70 -7.404 0.126 3.349 1.00 0.00 C ATOM 1090 O GLU A 70 -7.913 0.802 4.234 1.00 0.00 O ATOM 1091 CB GLU A 70 -7.299 -2.338 3.234 1.00 0.00 C ATOM 1092 CG GLU A 70 -7.956 -3.647 2.902 1.00 0.00 C ATOM 1093 CD GLU A 70 -9.268 -3.840 3.626 1.00 0.00 C ATOM 1094 OE1 GLU A 70 -9.266 -4.378 4.748 1.00 0.00 O ATOM 1095 OE2 GLU A 70 -10.320 -3.469 3.086 1.00 0.00 O ATOM 0 H GLU A 70 -7.777 -1.802 0.858 1.00 0.00 H new ATOM 0 HA GLU A 70 -9.103 -1.182 3.233 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -6.323 -2.302 2.750 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -7.124 -2.295 4.309 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -8.127 -3.701 1.827 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -7.281 -4.463 3.158 1.00 0.00 H new ATOM 1102 N ILE A 71 -6.263 0.423 2.771 1.00 0.00 N ATOM 1103 CA ILE A 71 -5.451 1.570 3.138 1.00 0.00 C ATOM 1104 C ILE A 71 -6.164 2.886 2.831 1.00 0.00 C ATOM 1105 O ILE A 71 -6.065 3.864 3.582 1.00 0.00 O ATOM 1106 CB ILE A 71 -4.099 1.488 2.397 1.00 0.00 C ATOM 1107 CG1 ILE A 71 -3.272 0.421 3.057 1.00 0.00 C ATOM 1108 CG2 ILE A 71 -3.349 2.815 2.413 1.00 0.00 C ATOM 1109 CD1 ILE A 71 -2.113 -0.040 2.260 1.00 0.00 C ATOM 0 H ILE A 71 -5.862 -0.134 2.017 1.00 0.00 H new ATOM 0 HA ILE A 71 -5.278 1.549 4.214 1.00 0.00 H new ATOM 0 HB ILE A 71 -4.287 1.248 1.351 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -2.911 0.799 4.014 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -3.912 -0.435 3.273 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -2.405 2.706 1.879 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -3.954 3.581 1.927 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -3.151 3.109 3.444 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -1.574 -0.809 2.813 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -2.463 -0.452 1.313 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -1.447 0.801 2.066 1.00 0.00 H new ATOM 1121 N LYS A 72 -6.864 2.889 1.742 1.00 0.00 N ATOM 1122 CA LYS A 72 -7.585 4.008 1.249 1.00 0.00 C ATOM 1123 C LYS A 72 -8.731 4.368 2.216 1.00 0.00 C ATOM 1124 O LYS A 72 -8.739 5.461 2.773 1.00 0.00 O ATOM 1125 CB LYS A 72 -8.065 3.596 -0.165 1.00 0.00 C ATOM 1126 CG LYS A 72 -8.792 4.595 -1.038 1.00 0.00 C ATOM 1127 CD LYS A 72 -10.102 4.968 -0.475 1.00 0.00 C ATOM 1128 CE LYS A 72 -10.957 5.575 -1.509 1.00 0.00 C ATOM 1129 NZ LYS A 72 -12.245 6.036 -0.958 1.00 0.00 N ATOM 0 H LYS A 72 -6.949 2.066 1.145 1.00 0.00 H new ATOM 0 HA LYS A 72 -6.983 4.914 1.181 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -7.189 3.258 -0.719 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -8.720 2.732 -0.046 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -8.179 5.489 -1.154 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -8.932 4.173 -2.033 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -10.591 4.085 -0.063 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -9.964 5.669 0.348 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -10.435 6.417 -1.963 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -11.140 4.849 -2.301 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -12.967 6.024 -1.707 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -12.538 5.405 -0.185 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -12.140 7.004 -0.593 1.00 0.00 H new ATOM 1143 N GLU A 73 -9.637 3.424 2.457 1.00 0.00 N ATOM 1144 CA GLU A 73 -10.806 3.665 3.308 1.00 0.00 C ATOM 1145 C GLU A 73 -10.394 3.965 4.734 1.00 0.00 C ATOM 1146 O GLU A 73 -10.948 4.850 5.375 1.00 0.00 O ATOM 1147 CB GLU A 73 -11.762 2.471 3.276 1.00 0.00 C ATOM 1148 CG GLU A 73 -12.452 2.246 1.936 1.00 0.00 C ATOM 1149 CD GLU A 73 -13.349 3.400 1.545 1.00 0.00 C ATOM 1150 OE1 GLU A 73 -14.301 3.699 2.300 1.00 0.00 O ATOM 1151 OE2 GLU A 73 -13.145 3.998 0.461 1.00 0.00 O ATOM 0 H GLU A 73 -9.586 2.480 2.074 1.00 0.00 H new ATOM 0 HA GLU A 73 -11.325 4.537 2.911 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -11.207 1.571 3.539 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -12.524 2.612 4.043 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -11.698 2.098 1.163 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -13.043 1.331 1.984 1.00 0.00 H new ATOM 1158 N TRP A 74 -9.393 3.249 5.204 1.00 0.00 N ATOM 1159 CA TRP A 74 -8.883 3.407 6.548 1.00 0.00 C ATOM 1160 C TRP A 74 -8.345 4.828 6.744 1.00 0.00 C ATOM 1161 O TRP A 74 -8.783 5.547 7.629 1.00 0.00 O ATOM 1162 CB TRP A 74 -7.793 2.375 6.761 1.00 0.00 C ATOM 1163 CG TRP A 74 -7.200 2.292 8.116 1.00 0.00 C ATOM 1164 CD1 TRP A 74 -7.682 1.613 9.188 1.00 0.00 C ATOM 1165 CD2 TRP A 74 -5.970 2.861 8.518 1.00 0.00 C ATOM 1166 NE1 TRP A 74 -6.815 1.727 10.236 1.00 0.00 N ATOM 1167 CE2 TRP A 74 -5.753 2.493 9.847 1.00 0.00 C ATOM 1168 CE3 TRP A 74 -5.034 3.652 7.867 1.00 0.00 C ATOM 1169 CZ2 TRP A 74 -4.625 2.881 10.545 1.00 0.00 C ATOM 1170 CZ3 TRP A 74 -3.912 4.052 8.539 1.00 0.00 C ATOM 1171 CH2 TRP A 74 -3.707 3.661 9.874 1.00 0.00 C ATOM 0 H TRP A 74 -8.908 2.536 4.659 1.00 0.00 H new ATOM 0 HA TRP A 74 -9.677 3.255 7.279 1.00 0.00 H new ATOM 0 HB2 TRP A 74 -8.200 1.396 6.509 1.00 0.00 H new ATOM 0 HB3 TRP A 74 -6.991 2.579 6.052 1.00 0.00 H new ATOM 0 HD1 TRP A 74 -8.612 1.065 9.209 1.00 0.00 H new ATOM 0 HE1 TRP A 74 -6.940 1.309 11.158 1.00 0.00 H new ATOM 0 HE3 TRP A 74 -5.190 3.949 6.840 1.00 0.00 H new ATOM 0 HZ2 TRP A 74 -4.469 2.586 11.572 1.00 0.00 H new ATOM 0 HZ3 TRP A 74 -3.180 4.671 8.042 1.00 0.00 H new ATOM 0 HH2 TRP A 74 -2.810 3.979 10.385 1.00 0.00 H new ATOM 1182 N ARG A 75 -7.454 5.255 5.862 1.00 0.00 N ATOM 1183 CA ARG A 75 -6.846 6.581 5.963 1.00 0.00 C ATOM 1184 C ARG A 75 -7.855 7.687 5.789 1.00 0.00 C ATOM 1185 O ARG A 75 -7.768 8.726 6.453 1.00 0.00 O ATOM 1186 CB ARG A 75 -5.752 6.736 4.955 1.00 0.00 C ATOM 1187 CG ARG A 75 -4.375 6.333 5.436 1.00 0.00 C ATOM 1188 CD ARG A 75 -3.458 6.110 4.268 1.00 0.00 C ATOM 1189 NE ARG A 75 -3.607 7.161 3.244 1.00 0.00 N ATOM 1190 CZ ARG A 75 -4.207 7.000 2.041 1.00 0.00 C ATOM 1191 NH1 ARG A 75 -4.798 5.848 1.740 1.00 0.00 N ATOM 1192 NH2 ARG A 75 -4.286 8.011 1.200 1.00 0.00 N ATOM 0 H ARG A 75 -7.133 4.704 5.066 1.00 0.00 H new ATOM 0 HA ARG A 75 -6.432 6.662 6.968 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -6.002 6.141 4.076 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -5.718 7.778 4.636 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -3.967 7.109 6.084 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -4.443 5.423 6.032 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -2.425 6.086 4.616 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -3.667 5.137 3.823 1.00 0.00 H new ATOM 0 HE ARG A 75 -3.228 8.083 3.459 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -4.800 5.084 2.416 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -5.250 5.728 0.833 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -3.895 8.918 1.455 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -4.739 7.887 0.294 1.00 0.00 H new ATOM 1206 N ALA A 76 -8.815 7.457 4.930 1.00 0.00 N ATOM 1207 CA ALA A 76 -9.859 8.418 4.670 1.00 0.00 C ATOM 1208 C ALA A 76 -10.751 8.591 5.904 1.00 0.00 C ATOM 1209 O ALA A 76 -11.228 9.690 6.189 1.00 0.00 O ATOM 1210 CB ALA A 76 -10.673 7.988 3.457 1.00 0.00 C ATOM 0 H ALA A 76 -8.896 6.596 4.389 1.00 0.00 H new ATOM 0 HA ALA A 76 -9.405 9.384 4.452 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -11.459 8.719 3.268 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -10.021 7.923 2.586 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -11.123 7.013 3.647 1.00 0.00 H new ATOM 1216 N ALA A 77 -10.907 7.519 6.666 1.00 0.00 N ATOM 1217 CA ALA A 77 -11.749 7.524 7.846 1.00 0.00 C ATOM 1218 C ALA A 77 -10.973 8.076 9.006 1.00 0.00 C ATOM 1219 O ALA A 77 -11.512 8.698 9.905 1.00 0.00 O ATOM 1220 CB ALA A 77 -12.241 6.123 8.157 1.00 0.00 C ATOM 0 H ALA A 77 -10.453 6.624 6.482 1.00 0.00 H new ATOM 0 HA ALA A 77 -12.620 8.153 7.662 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -12.871 6.148 9.046 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -12.818 5.744 7.313 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -11.388 5.469 8.335 1.00 0.00 H new ATOM 1226 N ASN A 78 -9.682 7.829 8.966 1.00 0.00 N ATOM 1227 CA ASN A 78 -8.758 8.279 9.976 1.00 0.00 C ATOM 1228 C ASN A 78 -8.502 9.768 9.884 1.00 0.00 C ATOM 1229 O ASN A 78 -8.115 10.405 10.861 1.00 0.00 O ATOM 1230 CB ASN A 78 -7.420 7.543 9.852 1.00 0.00 C ATOM 1231 CG ASN A 78 -7.370 6.145 10.452 1.00 0.00 C ATOM 1232 OD1 ASN A 78 -6.314 5.714 10.888 1.00 0.00 O ATOM 1233 ND2 ASN A 78 -8.466 5.436 10.473 1.00 0.00 N ATOM 0 H ASN A 78 -9.240 7.299 8.215 1.00 0.00 H new ATOM 0 HA ASN A 78 -9.217 8.060 10.940 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -7.163 7.473 8.795 1.00 0.00 H new ATOM 0 HB3 ASN A 78 -6.649 8.149 10.328 1.00 0.00 H new ATOM 0 HD21 ASN A 78 -8.456 4.493 10.862 1.00 0.00 H new ATOM 0 HD22 ASN A 78 -9.332 5.825 10.101 1.00 0.00 H new ATOM 1240 N GLY A 79 -8.720 10.319 8.716 1.00 0.00 N ATOM 1241 CA GLY A 79 -8.426 11.709 8.506 1.00 0.00 C ATOM 1242 C GLY A 79 -6.951 11.887 8.253 1.00 0.00 C ATOM 1243 O GLY A 79 -6.298 12.740 8.849 1.00 0.00 O ATOM 0 H GLY A 79 -9.097 9.829 7.904 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -8.998 12.087 7.658 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -8.727 12.290 9.378 1.00 0.00 H new ATOM 1247 N LYS A 80 -6.425 11.030 7.416 1.00 0.00 N ATOM 1248 CA LYS A 80 -5.048 11.036 7.044 1.00 0.00 C ATOM 1249 C LYS A 80 -4.880 11.604 5.647 1.00 0.00 C ATOM 1250 O LYS A 80 -5.871 12.029 5.030 1.00 0.00 O ATOM 1251 CB LYS A 80 -4.514 9.625 7.147 1.00 0.00 C ATOM 1252 CG LYS A 80 -4.269 9.196 8.583 1.00 0.00 C ATOM 1253 CD LYS A 80 -3.801 7.768 8.664 1.00 0.00 C ATOM 1254 CE LYS A 80 -3.259 7.422 10.048 1.00 0.00 C ATOM 1255 NZ LYS A 80 -4.253 7.500 11.139 1.00 0.00 N ATOM 0 H LYS A 80 -6.965 10.291 6.966 1.00 0.00 H new ATOM 0 HA LYS A 80 -4.478 11.676 7.717 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -5.221 8.938 6.682 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -3.582 9.551 6.586 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -3.524 9.850 9.036 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -5.187 9.312 9.159 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -4.628 7.101 8.421 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -3.025 7.598 7.918 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -2.849 6.413 10.020 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -2.433 8.095 10.278 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -3.788 7.299 12.047 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -4.666 8.454 11.165 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -5.005 6.801 10.974 1.00 0.00 H new ATOM 1269 N SER A 81 -3.659 11.635 5.161 1.00 0.00 N ATOM 1270 CA SER A 81 -3.349 12.163 3.876 1.00 0.00 C ATOM 1271 C SER A 81 -3.989 11.320 2.766 1.00 0.00 C ATOM 1272 O SER A 81 -4.114 10.102 2.897 1.00 0.00 O ATOM 1273 CB SER A 81 -1.854 12.150 3.743 1.00 0.00 C ATOM 1274 OG SER A 81 -1.243 12.877 4.800 1.00 0.00 O ATOM 0 H SER A 81 -2.846 11.284 5.668 1.00 0.00 H new ATOM 0 HA SER A 81 -3.742 13.175 3.778 1.00 0.00 H new ATOM 0 HB2 SER A 81 -1.494 11.121 3.748 1.00 0.00 H new ATOM 0 HB3 SER A 81 -1.567 12.583 2.785 1.00 0.00 H new ATOM 0 HG SER A 81 -0.269 12.853 4.693 1.00 0.00 H new ATOM 1280 N GLY A 82 -4.370 11.962 1.693 1.00 0.00 N ATOM 1281 CA GLY A 82 -5.024 11.287 0.596 1.00 0.00 C ATOM 1282 C GLY A 82 -4.099 11.158 -0.586 1.00 0.00 C ATOM 1283 O GLY A 82 -3.010 11.736 -0.575 1.00 0.00 O ATOM 0 H GLY A 82 -4.238 12.964 1.552 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -5.351 10.298 0.916 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -5.917 11.840 0.305 1.00 0.00 H new ATOM 1287 N PHE A 83 -4.499 10.392 -1.592 1.00 0.00 N ATOM 1288 CA PHE A 83 -3.690 10.230 -2.766 1.00 0.00 C ATOM 1289 C PHE A 83 -3.872 11.428 -3.680 1.00 0.00 C ATOM 1290 O PHE A 83 -4.832 12.218 -3.537 1.00 0.00 O ATOM 1291 CB PHE A 83 -4.045 8.950 -3.554 1.00 0.00 C ATOM 1292 CG PHE A 83 -4.067 7.672 -2.761 1.00 0.00 C ATOM 1293 CD1 PHE A 83 -2.896 7.107 -2.306 1.00 0.00 C ATOM 1294 CD2 PHE A 83 -5.264 7.024 -2.499 1.00 0.00 C ATOM 1295 CE1 PHE A 83 -2.917 5.923 -1.602 1.00 0.00 C ATOM 1296 CE2 PHE A 83 -5.291 5.842 -1.792 1.00 0.00 C ATOM 1297 CZ PHE A 83 -4.115 5.290 -1.344 1.00 0.00 C ATOM 0 H PHE A 83 -5.380 9.878 -1.607 1.00 0.00 H new ATOM 0 HA PHE A 83 -2.656 10.147 -2.433 1.00 0.00 H new ATOM 0 HB2 PHE A 83 -5.025 9.088 -4.010 1.00 0.00 H new ATOM 0 HB3 PHE A 83 -3.328 8.837 -4.367 1.00 0.00 H new ATOM 0 HD1 PHE A 83 -1.954 7.596 -2.503 1.00 0.00 H new ATOM 0 HD2 PHE A 83 -6.190 7.452 -2.855 1.00 0.00 H new ATOM 0 HE1 PHE A 83 -1.992 5.489 -1.251 1.00 0.00 H new ATOM 0 HE2 PHE A 83 -6.232 5.351 -1.591 1.00 0.00 H new ATOM 0 HZ PHE A 83 -4.129 4.362 -0.791 1.00 0.00 H new ATOM 1307 N LYS A 84 -2.979 11.551 -4.606 1.00 0.00 N ATOM 1308 CA LYS A 84 -3.006 12.587 -5.589 1.00 0.00 C ATOM 1309 C LYS A 84 -3.934 12.137 -6.716 1.00 0.00 C ATOM 1310 O LYS A 84 -4.230 10.935 -6.823 1.00 0.00 O ATOM 1311 CB LYS A 84 -1.580 12.800 -6.087 1.00 0.00 C ATOM 1312 CG LYS A 84 -1.391 13.959 -7.041 1.00 0.00 C ATOM 1313 CD LYS A 84 0.082 14.218 -7.317 1.00 0.00 C ATOM 1314 CE LYS A 84 0.763 13.042 -7.990 1.00 0.00 C ATOM 1315 NZ LYS A 84 2.209 13.292 -8.202 1.00 0.00 N ATOM 0 H LYS A 84 -2.187 10.916 -4.704 1.00 0.00 H new ATOM 0 HA LYS A 84 -3.377 13.530 -5.186 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -0.931 12.952 -5.224 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -1.246 11.887 -6.580 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -1.906 13.748 -7.978 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -1.847 14.856 -6.621 1.00 0.00 H new ATOM 0 HD2 LYS A 84 0.180 15.101 -7.949 1.00 0.00 H new ATOM 0 HD3 LYS A 84 0.591 14.440 -6.379 1.00 0.00 H new ATOM 0 HE2 LYS A 84 0.634 12.149 -7.379 1.00 0.00 H new ATOM 0 HE3 LYS A 84 0.284 12.844 -8.949 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 2.690 12.393 -8.406 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 2.335 13.942 -9.004 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 2.617 13.716 -7.345 1.00 0.00 H new ATOM 1329 N GLN A 85 -4.397 13.067 -7.534 1.00 0.00 N ATOM 1330 CA GLN A 85 -5.327 12.786 -8.582 1.00 0.00 C ATOM 1331 C GLN A 85 -4.756 11.904 -9.682 1.00 0.00 C ATOM 1332 O GLN A 85 -4.032 12.361 -10.567 1.00 0.00 O ATOM 1333 CB GLN A 85 -5.902 14.078 -9.123 1.00 0.00 C ATOM 1334 CG GLN A 85 -7.184 14.563 -8.430 1.00 0.00 C ATOM 1335 CD GLN A 85 -7.096 14.572 -6.910 1.00 0.00 C ATOM 1336 OE1 GLN A 85 -6.662 15.548 -6.303 1.00 0.00 O ATOM 1337 NE2 GLN A 85 -7.525 13.498 -6.290 1.00 0.00 N ATOM 0 H GLN A 85 -4.125 14.048 -7.477 1.00 0.00 H new ATOM 0 HA GLN A 85 -6.136 12.198 -8.148 1.00 0.00 H new ATOM 0 HB2 GLN A 85 -5.145 14.858 -9.038 1.00 0.00 H new ATOM 0 HB3 GLN A 85 -6.109 13.948 -10.185 1.00 0.00 H new ATOM 0 HG2 GLN A 85 -7.415 15.570 -8.777 1.00 0.00 H new ATOM 0 HG3 GLN A 85 -8.013 13.924 -8.733 1.00 0.00 H new ATOM 0 HE21 GLN A 85 -7.879 12.706 -6.827 1.00 0.00 H new ATOM 0 HE22 GLN A 85 -7.505 13.455 -5.271 1.00 0.00 H new ATOM 1346 N GLY A 86 -5.029 10.651 -9.549 1.00 0.00 N ATOM 1347 CA GLY A 86 -4.690 9.655 -10.496 1.00 0.00 C ATOM 1348 C GLY A 86 -4.740 8.337 -9.799 1.00 0.00 C ATOM 1349 O GLY A 86 -5.495 8.234 -8.800 1.00 0.00 O ATOM 1350 OXT GLY A 86 -4.022 7.416 -10.179 1.00 0.00 O ATOM 0 H GLY A 86 -5.519 10.280 -8.735 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -5.385 9.671 -11.335 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -3.695 9.836 -10.903 1.00 0.00 H new