USER MOD reduce.3.24.130724 H: found=0, std=0, add=658, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 657 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= 0.61 K(o=1.8,f=-12!) USER MOD Set 1.2: A 80 LYS NZ :NH3+ -171:sc= 1.2 (180deg=-0.154) USER MOD Set 2.1: A 4 LYS NZ :NH3+ 170:sc= -0.0479 (180deg=-0.251) USER MOD Set 2.2: A 10 TYR OH : rot 180:sc= 0 USER MOD Set 3.1: A 5 HIS : no HE2:sc= 0.934 K(o=0.93,f=-4.1!) USER MOD Set 3.2: A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot 162:sc= -0.931! USER MOD Single : A 11 THR OG1 : rot 180:sc= -1.53! USER MOD Single : A 20 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0269) USER MOD Single : A 21 LYS NZ :NH3+ 161:sc= -0.0609 (180deg=-0.388) USER MOD Single : A 23 CYS SG : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot -170:sc= 0.0466 USER MOD Single : A 34 ASN : amide:sc= 0.994 K(o=0.99,f=-5!) USER MOD Single : A 35 LYS NZ :NH3+ -113:sc= 0.23 (180deg=-0.139) USER MOD Single : A 44 THR OG1 : rot -154:sc= -0.159 USER MOD Single : A 46 HIS : no HD1:sc= -2.63! C(o=-2.6!,f=-7.5!) USER MOD Single : A 50 SER OG : rot 180:sc= 0.0164 USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 SER OG : rot -160:sc= 0.42 USER MOD Single : A 69 LYS NZ :NH3+ 170:sc= -0.0165 (180deg=-0.158) USER MOD Single : A 72 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00694) USER MOD Single : A 81 SER OG : rot 180:sc=0.000165 USER MOD Single : A 84 LYS NZ :NH3+ -162:sc= 0.832 (180deg=0.715) USER MOD Single : A 85 GLN : amide:sc= -0.166 X(o=-0.17,f=-0.14) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 2 11.752 6.724 -8.703 1.00 0.00 N ATOM 2 CA GLU A 2 11.316 8.120 -8.643 1.00 0.00 C ATOM 3 C GLU A 2 11.162 8.528 -7.191 1.00 0.00 C ATOM 4 O GLU A 2 11.172 7.668 -6.299 1.00 0.00 O ATOM 5 CB GLU A 2 9.993 8.302 -9.375 1.00 0.00 C ATOM 6 CG GLU A 2 8.878 7.455 -8.819 1.00 0.00 C ATOM 7 CD GLU A 2 7.569 7.740 -9.470 1.00 0.00 C ATOM 8 OE1 GLU A 2 6.854 8.643 -9.005 1.00 0.00 O ATOM 9 OE2 GLU A 2 7.217 7.064 -10.458 1.00 0.00 O ATOM 0 HA GLU A 2 12.063 8.748 -9.128 1.00 0.00 H new ATOM 0 HB2 GLU A 2 9.701 9.351 -9.326 1.00 0.00 H new ATOM 0 HB3 GLU A 2 10.133 8.059 -10.428 1.00 0.00 H new ATOM 0 HG2 GLU A 2 9.125 6.402 -8.952 1.00 0.00 H new ATOM 0 HG3 GLU A 2 8.793 7.630 -7.746 1.00 0.00 H new ATOM 16 N LEU A 3 11.017 9.808 -6.939 1.00 0.00 N ATOM 17 CA LEU A 3 10.842 10.289 -5.597 1.00 0.00 C ATOM 18 C LEU A 3 9.572 11.090 -5.460 1.00 0.00 C ATOM 19 O LEU A 3 9.052 11.655 -6.438 1.00 0.00 O ATOM 20 CB LEU A 3 12.055 11.080 -5.091 1.00 0.00 C ATOM 21 CG LEU A 3 13.338 10.278 -4.834 1.00 0.00 C ATOM 22 CD1 LEU A 3 14.467 11.203 -4.416 1.00 0.00 C ATOM 23 CD2 LEU A 3 13.104 9.220 -3.759 1.00 0.00 C ATOM 0 H LEU A 3 11.017 10.536 -7.654 1.00 0.00 H new ATOM 0 HA LEU A 3 10.755 9.408 -4.961 1.00 0.00 H new ATOM 0 HB2 LEU A 3 12.281 11.860 -5.818 1.00 0.00 H new ATOM 0 HB3 LEU A 3 11.774 11.580 -4.164 1.00 0.00 H new ATOM 0 HG LEU A 3 13.618 9.777 -5.761 1.00 0.00 H new ATOM 0 HD11 LEU A 3 15.369 10.618 -4.238 1.00 0.00 H new ATOM 0 HD12 LEU A 3 14.655 11.928 -5.208 1.00 0.00 H new ATOM 0 HD13 LEU A 3 14.188 11.728 -3.502 1.00 0.00 H new ATOM 0 HD21 LEU A 3 14.025 8.662 -3.591 1.00 0.00 H new ATOM 0 HD22 LEU A 3 12.799 9.705 -2.832 1.00 0.00 H new ATOM 0 HD23 LEU A 3 12.320 8.537 -4.086 1.00 0.00 H new ATOM 35 N LYS A 4 9.097 11.143 -4.256 1.00 0.00 N ATOM 36 CA LYS A 4 7.859 11.772 -3.898 1.00 0.00 C ATOM 37 C LYS A 4 8.053 12.616 -2.663 1.00 0.00 C ATOM 38 O LYS A 4 9.142 12.616 -2.076 1.00 0.00 O ATOM 39 CB LYS A 4 6.843 10.665 -3.628 1.00 0.00 C ATOM 40 CG LYS A 4 7.412 9.483 -2.836 1.00 0.00 C ATOM 41 CD LYS A 4 7.576 9.733 -1.347 1.00 0.00 C ATOM 42 CE LYS A 4 8.023 8.466 -0.634 1.00 0.00 C ATOM 43 NZ LYS A 4 9.262 7.880 -1.206 1.00 0.00 N ATOM 0 H LYS A 4 9.581 10.731 -3.458 1.00 0.00 H new ATOM 0 HA LYS A 4 7.508 12.422 -4.700 1.00 0.00 H new ATOM 0 HB2 LYS A 4 5.999 11.085 -3.080 1.00 0.00 H new ATOM 0 HB3 LYS A 4 6.456 10.300 -4.579 1.00 0.00 H new ATOM 0 HG2 LYS A 4 6.758 8.622 -2.976 1.00 0.00 H new ATOM 0 HG3 LYS A 4 8.383 9.217 -3.254 1.00 0.00 H new ATOM 0 HD2 LYS A 4 8.307 10.525 -1.185 1.00 0.00 H new ATOM 0 HD3 LYS A 4 6.632 10.080 -0.925 1.00 0.00 H new ATOM 0 HE2 LYS A 4 8.187 8.689 0.420 1.00 0.00 H new ATOM 0 HE3 LYS A 4 7.223 7.727 -0.683 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 9.609 7.125 -0.581 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 9.057 7.485 -2.146 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 9.988 8.619 -1.292 1.00 0.00 H new ATOM 57 N HIS A 5 7.025 13.319 -2.265 1.00 0.00 N ATOM 58 CA HIS A 5 7.087 14.083 -1.028 1.00 0.00 C ATOM 59 C HIS A 5 6.249 13.404 0.079 1.00 0.00 C ATOM 60 O HIS A 5 6.407 13.708 1.257 1.00 0.00 O ATOM 61 CB HIS A 5 6.635 15.552 -1.243 1.00 0.00 C ATOM 62 CG HIS A 5 5.168 15.726 -1.524 1.00 0.00 C ATOM 63 ND1 HIS A 5 4.570 15.408 -2.708 1.00 0.00 N ATOM 64 CD2 HIS A 5 4.176 16.153 -0.711 1.00 0.00 C ATOM 65 CE1 HIS A 5 3.272 15.630 -2.593 1.00 0.00 C ATOM 66 NE2 HIS A 5 2.972 16.090 -1.392 1.00 0.00 N ATOM 0 H HIS A 5 6.140 13.384 -2.767 1.00 0.00 H new ATOM 0 HA HIS A 5 8.128 14.104 -0.705 1.00 0.00 H new ATOM 0 HB2 HIS A 5 6.891 16.130 -0.355 1.00 0.00 H new ATOM 0 HB3 HIS A 5 7.202 15.974 -2.073 1.00 0.00 H new ATOM 0 HD1 HIS A 5 5.044 15.058 -3.541 1.00 0.00 H new ATOM 0 HD2 HIS A 5 4.302 16.490 0.307 1.00 0.00 H new ATOM 0 HE1 HIS A 5 2.551 15.458 -3.379 1.00 0.00 H new ATOM 74 N SER A 6 5.350 12.500 -0.310 1.00 0.00 N ATOM 75 CA SER A 6 4.489 11.805 0.644 1.00 0.00 C ATOM 76 C SER A 6 3.779 10.661 -0.060 1.00 0.00 C ATOM 77 O SER A 6 4.007 10.435 -1.250 1.00 0.00 O ATOM 78 CB SER A 6 3.438 12.777 1.206 1.00 0.00 C ATOM 79 OG SER A 6 2.602 13.279 0.167 1.00 0.00 O ATOM 0 H SER A 6 5.200 12.232 -1.283 1.00 0.00 H new ATOM 0 HA SER A 6 5.099 11.419 1.461 1.00 0.00 H new ATOM 0 HB2 SER A 6 2.830 12.268 1.954 1.00 0.00 H new ATOM 0 HB3 SER A 6 3.936 13.606 1.710 1.00 0.00 H new ATOM 0 HG SER A 6 1.941 13.894 0.548 1.00 0.00 H new ATOM 85 N ILE A 7 2.927 9.942 0.664 1.00 0.00 N ATOM 86 CA ILE A 7 2.103 8.904 0.068 1.00 0.00 C ATOM 87 C ILE A 7 1.014 9.548 -0.799 1.00 0.00 C ATOM 88 O ILE A 7 0.565 8.974 -1.775 1.00 0.00 O ATOM 89 CB ILE A 7 1.428 7.993 1.125 1.00 0.00 C ATOM 90 CG1 ILE A 7 0.664 6.855 0.425 1.00 0.00 C ATOM 91 CG2 ILE A 7 0.512 8.800 2.030 1.00 0.00 C ATOM 92 CD1 ILE A 7 -0.038 5.914 1.353 1.00 0.00 C ATOM 0 H ILE A 7 2.791 10.062 1.668 1.00 0.00 H new ATOM 0 HA ILE A 7 2.764 8.280 -0.534 1.00 0.00 H new ATOM 0 HB ILE A 7 2.200 7.552 1.755 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -0.070 7.291 -0.253 1.00 0.00 H new ATOM 0 HG13 ILE A 7 1.365 6.287 -0.186 1.00 0.00 H new ATOM 0 HG21 ILE A 7 0.050 8.139 2.763 1.00 0.00 H new ATOM 0 HG22 ILE A 7 1.092 9.565 2.546 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -0.264 9.276 1.431 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -0.549 5.145 0.774 1.00 0.00 H new ATOM 0 HD12 ILE A 7 0.690 5.445 2.015 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -0.767 6.465 1.947 1.00 0.00 H new ATOM 104 N SER A 8 0.647 10.780 -0.461 1.00 0.00 N ATOM 105 CA SER A 8 -0.389 11.491 -1.170 1.00 0.00 C ATOM 106 C SER A 8 0.143 12.000 -2.509 1.00 0.00 C ATOM 107 O SER A 8 -0.584 12.613 -3.294 1.00 0.00 O ATOM 108 CB SER A 8 -0.905 12.637 -0.304 1.00 0.00 C ATOM 109 OG SER A 8 -1.260 12.174 0.993 1.00 0.00 O ATOM 0 H SER A 8 1.062 11.304 0.309 1.00 0.00 H new ATOM 0 HA SER A 8 -1.220 10.817 -1.378 1.00 0.00 H new ATOM 0 HB2 SER A 8 -0.140 13.409 -0.222 1.00 0.00 H new ATOM 0 HB3 SER A 8 -1.771 13.096 -0.780 1.00 0.00 H new ATOM 0 HG SER A 8 -1.309 12.934 1.610 1.00 0.00 H new ATOM 115 N ASP A 9 1.434 11.775 -2.726 1.00 0.00 N ATOM 116 CA ASP A 9 2.083 12.065 -3.992 1.00 0.00 C ATOM 117 C ASP A 9 1.921 10.841 -4.903 1.00 0.00 C ATOM 118 O ASP A 9 1.958 10.939 -6.122 1.00 0.00 O ATOM 119 CB ASP A 9 3.562 12.319 -3.756 1.00 0.00 C ATOM 120 CG ASP A 9 4.278 13.013 -4.900 1.00 0.00 C ATOM 121 OD1 ASP A 9 3.803 12.996 -6.060 1.00 0.00 O ATOM 122 OD2 ASP A 9 5.316 13.642 -4.630 1.00 0.00 O ATOM 0 H ASP A 9 2.060 11.384 -2.022 1.00 0.00 H new ATOM 0 HA ASP A 9 1.636 12.946 -4.452 1.00 0.00 H new ATOM 0 HB2 ASP A 9 3.674 12.923 -2.856 1.00 0.00 H new ATOM 0 HB3 ASP A 9 4.054 11.366 -3.563 1.00 0.00 H new ATOM 127 N TYR A 10 1.731 9.686 -4.296 1.00 0.00 N ATOM 128 CA TYR A 10 1.498 8.469 -5.045 1.00 0.00 C ATOM 129 C TYR A 10 0.085 8.493 -5.497 1.00 0.00 C ATOM 130 O TYR A 10 -0.798 8.864 -4.734 1.00 0.00 O ATOM 131 CB TYR A 10 1.693 7.203 -4.188 1.00 0.00 C ATOM 132 CG TYR A 10 3.107 6.884 -3.795 1.00 0.00 C ATOM 133 CD1 TYR A 10 3.793 7.674 -2.903 1.00 0.00 C ATOM 134 CD2 TYR A 10 3.756 5.774 -4.318 1.00 0.00 C ATOM 135 CE1 TYR A 10 5.067 7.383 -2.544 1.00 0.00 C ATOM 136 CE2 TYR A 10 5.050 5.473 -3.954 1.00 0.00 C ATOM 137 CZ TYR A 10 5.702 6.285 -3.066 1.00 0.00 C ATOM 138 OH TYR A 10 7.006 6.003 -2.694 1.00 0.00 O ATOM 0 H TYR A 10 1.734 9.566 -3.283 1.00 0.00 H new ATOM 0 HA TYR A 10 2.211 8.431 -5.869 1.00 0.00 H new ATOM 0 HB2 TYR A 10 1.100 7.309 -3.280 1.00 0.00 H new ATOM 0 HB3 TYR A 10 1.289 6.352 -4.736 1.00 0.00 H new ATOM 0 HD1 TYR A 10 3.308 8.542 -2.481 1.00 0.00 H new ATOM 0 HD2 TYR A 10 3.239 5.137 -5.020 1.00 0.00 H new ATOM 0 HE1 TYR A 10 5.586 8.020 -1.842 1.00 0.00 H new ATOM 0 HE2 TYR A 10 5.545 4.605 -4.365 1.00 0.00 H new ATOM 0 HH TYR A 10 7.309 5.191 -3.152 1.00 0.00 H new ATOM 148 N THR A 11 -0.151 8.146 -6.708 1.00 0.00 N ATOM 149 CA THR A 11 -1.487 8.065 -7.161 1.00 0.00 C ATOM 150 C THR A 11 -2.057 6.758 -6.674 1.00 0.00 C ATOM 151 O THR A 11 -1.291 5.874 -6.214 1.00 0.00 O ATOM 152 CB THR A 11 -1.571 8.145 -8.697 1.00 0.00 C ATOM 153 OG1 THR A 11 -0.816 7.083 -9.277 1.00 0.00 O ATOM 154 CG2 THR A 11 -1.038 9.473 -9.197 1.00 0.00 C ATOM 0 H THR A 11 0.561 7.914 -7.401 1.00 0.00 H new ATOM 0 HA THR A 11 -2.057 8.907 -6.768 1.00 0.00 H new ATOM 0 HB THR A 11 -2.617 8.056 -8.989 1.00 0.00 H new ATOM 0 HG1 THR A 11 -0.873 7.136 -10.254 1.00 0.00 H new ATOM 0 HG21 THR A 11 -1.107 9.507 -10.284 1.00 0.00 H new ATOM 0 HG22 THR A 11 -1.627 10.285 -8.770 1.00 0.00 H new ATOM 0 HG23 THR A 11 0.004 9.583 -8.896 1.00 0.00 H new ATOM 162 N GLU A 12 -3.360 6.619 -6.759 1.00 0.00 N ATOM 163 CA GLU A 12 -4.012 5.395 -6.364 1.00 0.00 C ATOM 164 C GLU A 12 -3.428 4.249 -7.185 1.00 0.00 C ATOM 165 O GLU A 12 -3.160 3.197 -6.664 1.00 0.00 O ATOM 166 CB GLU A 12 -5.520 5.515 -6.574 1.00 0.00 C ATOM 167 CG GLU A 12 -6.338 4.337 -6.070 1.00 0.00 C ATOM 168 CD GLU A 12 -7.814 4.540 -6.303 1.00 0.00 C ATOM 169 OE1 GLU A 12 -8.466 5.203 -5.482 1.00 0.00 O ATOM 170 OE2 GLU A 12 -8.349 4.051 -7.321 1.00 0.00 O ATOM 0 H GLU A 12 -3.991 7.344 -7.100 1.00 0.00 H new ATOM 0 HA GLU A 12 -3.842 5.198 -5.305 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -5.869 6.419 -6.076 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -5.714 5.642 -7.639 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -6.012 3.427 -6.573 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -6.154 4.196 -5.005 1.00 0.00 H new ATOM 177 N ALA A 13 -3.141 4.531 -8.450 1.00 0.00 N ATOM 178 CA ALA A 13 -2.560 3.557 -9.360 1.00 0.00 C ATOM 179 C ALA A 13 -1.107 3.203 -8.992 1.00 0.00 C ATOM 180 O ALA A 13 -0.763 2.031 -8.931 1.00 0.00 O ATOM 181 CB ALA A 13 -2.643 4.056 -10.787 1.00 0.00 C ATOM 0 H ALA A 13 -3.306 5.445 -8.873 1.00 0.00 H new ATOM 0 HA ALA A 13 -3.142 2.640 -9.267 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -2.204 3.317 -11.457 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -3.687 4.216 -11.056 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -2.097 4.995 -10.876 1.00 0.00 H new ATOM 187 N GLU A 14 -0.259 4.216 -8.724 1.00 0.00 N ATOM 188 CA GLU A 14 1.158 3.959 -8.362 1.00 0.00 C ATOM 189 C GLU A 14 1.254 3.166 -7.093 1.00 0.00 C ATOM 190 O GLU A 14 2.109 2.284 -6.952 1.00 0.00 O ATOM 191 CB GLU A 14 1.969 5.251 -8.202 1.00 0.00 C ATOM 192 CG GLU A 14 2.095 6.078 -9.454 1.00 0.00 C ATOM 193 CD GLU A 14 2.640 5.289 -10.601 1.00 0.00 C ATOM 194 OE1 GLU A 14 3.836 4.955 -10.592 1.00 0.00 O ATOM 195 OE2 GLU A 14 1.884 4.977 -11.534 1.00 0.00 O ATOM 0 H GLU A 14 -0.519 5.202 -8.749 1.00 0.00 H new ATOM 0 HA GLU A 14 1.581 3.389 -9.189 1.00 0.00 H new ATOM 0 HB2 GLU A 14 1.505 5.860 -7.426 1.00 0.00 H new ATOM 0 HB3 GLU A 14 2.969 4.995 -7.851 1.00 0.00 H new ATOM 0 HG2 GLU A 14 1.117 6.478 -9.723 1.00 0.00 H new ATOM 0 HG3 GLU A 14 2.746 6.930 -9.260 1.00 0.00 H new ATOM 202 N PHE A 15 0.383 3.465 -6.183 1.00 0.00 N ATOM 203 CA PHE A 15 0.349 2.775 -4.940 1.00 0.00 C ATOM 204 C PHE A 15 -0.284 1.423 -5.126 1.00 0.00 C ATOM 205 O PHE A 15 0.056 0.497 -4.472 1.00 0.00 O ATOM 206 CB PHE A 15 -0.350 3.583 -3.873 1.00 0.00 C ATOM 207 CG PHE A 15 -0.110 3.054 -2.502 1.00 0.00 C ATOM 208 CD1 PHE A 15 0.999 3.465 -1.789 1.00 0.00 C ATOM 209 CD2 PHE A 15 -0.985 2.158 -1.920 1.00 0.00 C ATOM 210 CE1 PHE A 15 1.232 2.988 -0.527 1.00 0.00 C ATOM 211 CE2 PHE A 15 -0.757 1.685 -0.659 1.00 0.00 C ATOM 212 CZ PHE A 15 0.351 2.097 0.036 1.00 0.00 C ATOM 0 H PHE A 15 -0.323 4.194 -6.283 1.00 0.00 H new ATOM 0 HA PHE A 15 1.372 2.630 -4.594 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -0.009 4.617 -3.924 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -1.422 3.591 -4.073 1.00 0.00 H new ATOM 0 HD1 PHE A 15 1.689 4.169 -2.231 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -1.857 1.829 -2.466 1.00 0.00 H new ATOM 0 HE1 PHE A 15 2.104 3.311 0.023 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -1.448 0.987 -0.210 1.00 0.00 H new ATOM 0 HZ PHE A 15 0.532 1.719 1.031 1.00 0.00 H new ATOM 222 N LEU A 16 -1.197 1.314 -6.018 1.00 0.00 N ATOM 223 CA LEU A 16 -1.813 0.034 -6.289 1.00 0.00 C ATOM 224 C LEU A 16 -0.814 -0.892 -6.950 1.00 0.00 C ATOM 225 O LEU A 16 -0.908 -2.111 -6.856 1.00 0.00 O ATOM 226 CB LEU A 16 -3.084 0.247 -7.089 1.00 0.00 C ATOM 227 CG LEU A 16 -4.051 -0.871 -7.133 1.00 0.00 C ATOM 228 CD1 LEU A 16 -5.455 -0.326 -7.010 1.00 0.00 C ATOM 229 CD2 LEU A 16 -3.938 -1.615 -8.395 1.00 0.00 C ATOM 0 H LEU A 16 -1.547 2.087 -6.584 1.00 0.00 H new ATOM 0 HA LEU A 16 -2.108 -0.460 -5.363 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -3.596 1.120 -6.684 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -2.802 0.490 -8.113 1.00 0.00 H new ATOM 0 HG LEU A 16 -3.832 -1.546 -6.306 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -6.169 -1.149 -7.042 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -5.557 0.206 -6.064 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -5.653 0.359 -7.835 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -4.660 -2.432 -8.402 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -4.139 -0.946 -9.231 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -2.931 -2.020 -8.489 1.00 0.00 H new ATOM 241 N GLU A 17 0.141 -0.313 -7.583 1.00 0.00 N ATOM 242 CA GLU A 17 1.254 -1.056 -8.063 1.00 0.00 C ATOM 243 C GLU A 17 2.201 -1.451 -6.929 1.00 0.00 C ATOM 244 O GLU A 17 2.944 -2.372 -7.096 1.00 0.00 O ATOM 245 CB GLU A 17 1.991 -0.392 -9.215 1.00 0.00 C ATOM 246 CG GLU A 17 1.148 -0.278 -10.473 1.00 0.00 C ATOM 247 CD GLU A 17 1.957 0.098 -11.673 1.00 0.00 C ATOM 248 OE1 GLU A 17 2.198 1.293 -11.904 1.00 0.00 O ATOM 249 OE2 GLU A 17 2.384 -0.816 -12.422 1.00 0.00 O ATOM 0 H GLU A 17 0.176 0.686 -7.784 1.00 0.00 H new ATOM 0 HA GLU A 17 0.835 -1.971 -8.482 1.00 0.00 H new ATOM 0 HB2 GLU A 17 2.312 0.603 -8.908 1.00 0.00 H new ATOM 0 HB3 GLU A 17 2.892 -0.962 -9.439 1.00 0.00 H new ATOM 0 HG2 GLU A 17 0.649 -1.229 -10.659 1.00 0.00 H new ATOM 0 HG3 GLU A 17 0.368 0.467 -10.317 1.00 0.00 H new ATOM 256 N PHE A 18 2.136 -0.750 -5.759 1.00 0.00 N ATOM 257 CA PHE A 18 2.987 -1.088 -4.559 1.00 0.00 C ATOM 258 C PHE A 18 2.797 -2.535 -4.233 1.00 0.00 C ATOM 259 O PHE A 18 3.734 -3.297 -4.133 1.00 0.00 O ATOM 260 CB PHE A 18 2.631 -0.199 -3.252 1.00 0.00 C ATOM 261 CG PHE A 18 1.829 -0.880 -2.049 1.00 0.00 C ATOM 262 CD1 PHE A 18 0.431 -1.024 -2.061 1.00 0.00 C ATOM 263 CD2 PHE A 18 2.494 -1.348 -0.922 1.00 0.00 C ATOM 264 CE1 PHE A 18 -0.250 -1.619 -0.991 1.00 0.00 C ATOM 265 CE2 PHE A 18 1.807 -1.936 0.136 1.00 0.00 C ATOM 266 CZ PHE A 18 0.444 -2.068 0.096 1.00 0.00 C ATOM 0 H PHE A 18 1.513 0.045 -5.614 1.00 0.00 H new ATOM 0 HA PHE A 18 4.022 -0.866 -4.820 1.00 0.00 H new ATOM 0 HB2 PHE A 18 3.569 0.183 -2.848 1.00 0.00 H new ATOM 0 HB3 PHE A 18 2.053 0.663 -3.587 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -0.130 -0.669 -2.913 1.00 0.00 H new ATOM 0 HD2 PHE A 18 3.568 -1.253 -0.866 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -1.324 -1.723 -1.026 1.00 0.00 H new ATOM 0 HE2 PHE A 18 2.354 -2.292 0.997 1.00 0.00 H new ATOM 0 HZ PHE A 18 -0.080 -2.526 0.922 1.00 0.00 H new ATOM 276 N VAL A 19 1.568 -2.896 -4.147 1.00 0.00 N ATOM 277 CA VAL A 19 1.171 -4.202 -3.732 1.00 0.00 C ATOM 278 C VAL A 19 1.440 -5.245 -4.812 1.00 0.00 C ATOM 279 O VAL A 19 1.876 -6.361 -4.523 1.00 0.00 O ATOM 280 CB VAL A 19 -0.302 -4.186 -3.253 1.00 0.00 C ATOM 281 CG1 VAL A 19 -1.248 -3.718 -4.324 1.00 0.00 C ATOM 282 CG2 VAL A 19 -0.718 -5.497 -2.639 1.00 0.00 C ATOM 0 H VAL A 19 0.786 -2.279 -4.368 1.00 0.00 H new ATOM 0 HA VAL A 19 1.783 -4.500 -2.881 1.00 0.00 H new ATOM 0 HB VAL A 19 -0.361 -3.446 -2.455 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -2.267 -3.725 -3.938 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -0.982 -2.705 -4.627 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -1.181 -4.384 -5.185 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -1.758 -5.435 -2.319 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -0.612 -6.294 -3.375 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -0.086 -5.712 -1.778 1.00 0.00 H new ATOM 292 N LYS A 20 1.229 -4.860 -6.047 1.00 0.00 N ATOM 293 CA LYS A 20 1.501 -5.720 -7.175 1.00 0.00 C ATOM 294 C LYS A 20 3.013 -5.964 -7.286 1.00 0.00 C ATOM 295 O LYS A 20 3.473 -7.053 -7.631 1.00 0.00 O ATOM 296 CB LYS A 20 0.966 -5.064 -8.423 1.00 0.00 C ATOM 297 CG LYS A 20 -0.528 -5.156 -8.488 1.00 0.00 C ATOM 298 CD LYS A 20 -1.129 -4.070 -9.327 1.00 0.00 C ATOM 299 CE LYS A 20 -2.585 -4.353 -9.619 1.00 0.00 C ATOM 300 NZ LYS A 20 -2.763 -5.370 -10.667 1.00 0.00 N ATOM 0 H LYS A 20 0.864 -3.942 -6.300 1.00 0.00 H new ATOM 0 HA LYS A 20 1.012 -6.685 -7.043 1.00 0.00 H new ATOM 0 HB2 LYS A 20 1.269 -4.017 -8.445 1.00 0.00 H new ATOM 0 HB3 LYS A 20 1.401 -5.540 -9.302 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -0.813 -6.126 -8.895 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -0.937 -5.101 -7.479 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -1.037 -3.114 -8.811 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -0.577 -3.981 -10.263 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -3.077 -4.687 -8.706 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -3.077 -3.430 -9.926 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -3.771 -5.442 -10.913 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -2.219 -5.098 -11.511 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -2.425 -6.290 -10.319 1.00 0.00 H new ATOM 314 N LYS A 21 3.753 -4.925 -6.949 1.00 0.00 N ATOM 315 CA LYS A 21 5.200 -4.908 -6.920 1.00 0.00 C ATOM 316 C LYS A 21 5.680 -5.833 -5.821 1.00 0.00 C ATOM 317 O LYS A 21 6.570 -6.599 -6.030 1.00 0.00 O ATOM 318 CB LYS A 21 5.661 -3.478 -6.636 1.00 0.00 C ATOM 319 CG LYS A 21 7.126 -3.186 -6.798 1.00 0.00 C ATOM 320 CD LYS A 21 7.402 -1.759 -6.364 1.00 0.00 C ATOM 321 CE LYS A 21 8.792 -1.304 -6.738 1.00 0.00 C ATOM 322 NZ LYS A 21 9.003 -1.289 -8.200 1.00 0.00 N ATOM 0 H LYS A 21 3.343 -4.032 -6.676 1.00 0.00 H new ATOM 0 HA LYS A 21 5.608 -5.243 -7.874 1.00 0.00 H new ATOM 0 HB2 LYS A 21 5.108 -2.807 -7.294 1.00 0.00 H new ATOM 0 HB3 LYS A 21 5.377 -3.228 -5.614 1.00 0.00 H new ATOM 0 HG2 LYS A 21 7.716 -3.881 -6.200 1.00 0.00 H new ATOM 0 HG3 LYS A 21 7.424 -3.327 -7.837 1.00 0.00 H new ATOM 0 HD2 LYS A 21 6.669 -1.094 -6.822 1.00 0.00 H new ATOM 0 HD3 LYS A 21 7.274 -1.679 -5.284 1.00 0.00 H new ATOM 0 HE2 LYS A 21 8.965 -0.305 -6.338 1.00 0.00 H new ATOM 0 HE3 LYS A 21 9.525 -1.964 -6.274 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 9.819 -0.685 -8.427 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 9.185 -2.257 -8.534 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 8.154 -0.914 -8.669 1.00 0.00 H new ATOM 336 N ILE A 22 5.052 -5.751 -4.658 1.00 0.00 N ATOM 337 CA ILE A 22 5.387 -6.606 -3.520 1.00 0.00 C ATOM 338 C ILE A 22 5.105 -8.072 -3.842 1.00 0.00 C ATOM 339 O ILE A 22 5.857 -8.967 -3.462 1.00 0.00 O ATOM 340 CB ILE A 22 4.625 -6.160 -2.242 1.00 0.00 C ATOM 341 CG1 ILE A 22 5.074 -4.750 -1.865 1.00 0.00 C ATOM 342 CG2 ILE A 22 4.874 -7.130 -1.085 1.00 0.00 C ATOM 343 CD1 ILE A 22 4.346 -4.149 -0.706 1.00 0.00 C ATOM 0 H ILE A 22 4.296 -5.092 -4.472 1.00 0.00 H new ATOM 0 HA ILE A 22 6.454 -6.502 -3.324 1.00 0.00 H new ATOM 0 HB ILE A 22 3.554 -6.163 -2.446 1.00 0.00 H new ATOM 0 HG12 ILE A 22 6.139 -4.772 -1.635 1.00 0.00 H new ATOM 0 HG13 ILE A 22 4.949 -4.100 -2.731 1.00 0.00 H new ATOM 0 HG21 ILE A 22 4.328 -6.793 -0.204 1.00 0.00 H new ATOM 0 HG22 ILE A 22 4.531 -8.126 -1.365 1.00 0.00 H new ATOM 0 HG23 ILE A 22 5.940 -7.163 -0.861 1.00 0.00 H new ATOM 0 HD11 ILE A 22 4.733 -3.148 -0.513 1.00 0.00 H new ATOM 0 HD12 ILE A 22 3.282 -4.089 -0.936 1.00 0.00 H new ATOM 0 HD13 ILE A 22 4.491 -4.771 0.177 1.00 0.00 H new ATOM 355 N CYS A 23 4.056 -8.302 -4.590 1.00 0.00 N ATOM 356 CA CYS A 23 3.684 -9.638 -5.004 1.00 0.00 C ATOM 357 C CYS A 23 4.815 -10.256 -5.879 1.00 0.00 C ATOM 358 O CYS A 23 5.048 -11.463 -5.858 1.00 0.00 O ATOM 359 CB CYS A 23 2.341 -9.571 -5.763 1.00 0.00 C ATOM 360 SG CYS A 23 1.587 -11.158 -6.181 1.00 0.00 S ATOM 0 H CYS A 23 3.433 -7.570 -4.931 1.00 0.00 H new ATOM 0 HA CYS A 23 3.556 -10.283 -4.135 1.00 0.00 H new ATOM 0 HB2 CYS A 23 1.633 -9.003 -5.159 1.00 0.00 H new ATOM 0 HB3 CYS A 23 2.495 -9.011 -6.685 1.00 0.00 H new ATOM 0 HG CYS A 23 0.469 -10.954 -6.811 1.00 0.00 H new ATOM 366 N ARG A 24 5.492 -9.408 -6.643 1.00 0.00 N ATOM 367 CA ARG A 24 6.614 -9.822 -7.488 1.00 0.00 C ATOM 368 C ARG A 24 7.995 -9.476 -6.878 1.00 0.00 C ATOM 369 O ARG A 24 9.030 -9.693 -7.510 1.00 0.00 O ATOM 370 CB ARG A 24 6.472 -9.209 -8.876 1.00 0.00 C ATOM 371 CG ARG A 24 6.548 -7.712 -8.901 1.00 0.00 C ATOM 372 CD ARG A 24 6.200 -7.198 -10.254 1.00 0.00 C ATOM 373 NE ARG A 24 6.364 -5.746 -10.347 1.00 0.00 N ATOM 374 CZ ARG A 24 5.522 -4.911 -10.962 1.00 0.00 C ATOM 375 NH1 ARG A 24 4.333 -5.352 -11.392 1.00 0.00 N ATOM 376 NH2 ARG A 24 5.857 -3.630 -11.119 1.00 0.00 N ATOM 0 H ARG A 24 5.281 -8.411 -6.697 1.00 0.00 H new ATOM 0 HA ARG A 24 6.575 -10.909 -7.560 1.00 0.00 H new ATOM 0 HB2 ARG A 24 7.254 -9.611 -9.520 1.00 0.00 H new ATOM 0 HB3 ARG A 24 5.518 -9.520 -9.302 1.00 0.00 H new ATOM 0 HG2 ARG A 24 5.867 -7.294 -8.160 1.00 0.00 H new ATOM 0 HG3 ARG A 24 7.552 -7.388 -8.629 1.00 0.00 H new ATOM 0 HD2 ARG A 24 6.831 -7.683 -10.999 1.00 0.00 H new ATOM 0 HD3 ARG A 24 5.169 -7.462 -10.488 1.00 0.00 H new ATOM 0 HE ARG A 24 7.189 -5.339 -9.906 1.00 0.00 H new ATOM 0 HH11 ARG A 24 4.069 -6.327 -11.250 1.00 0.00 H new ATOM 0 HH12 ARG A 24 3.691 -4.713 -11.861 1.00 0.00 H new ATOM 0 HH21 ARG A 24 6.753 -3.291 -10.770 1.00 0.00 H new ATOM 0 HH22 ARG A 24 5.217 -2.989 -11.588 1.00 0.00 H new ATOM 390 N ALA A 25 8.009 -8.993 -5.646 1.00 0.00 N ATOM 391 CA ALA A 25 9.213 -8.365 -5.054 1.00 0.00 C ATOM 392 C ALA A 25 10.312 -9.313 -4.584 1.00 0.00 C ATOM 393 O ALA A 25 11.249 -8.878 -3.917 1.00 0.00 O ATOM 394 CB ALA A 25 8.834 -7.410 -3.948 1.00 0.00 C ATOM 0 H ALA A 25 7.203 -9.017 -5.022 1.00 0.00 H new ATOM 0 HA ALA A 25 9.661 -7.827 -5.890 1.00 0.00 H new ATOM 0 HB1 ALA A 25 9.735 -6.962 -3.529 1.00 0.00 H new ATOM 0 HB2 ALA A 25 8.191 -6.626 -4.349 1.00 0.00 H new ATOM 0 HB3 ALA A 25 8.301 -7.952 -3.166 1.00 0.00 H new ATOM 400 N GLU A 26 10.278 -10.560 -4.991 1.00 0.00 N ATOM 401 CA GLU A 26 11.346 -11.496 -4.622 1.00 0.00 C ATOM 402 C GLU A 26 12.566 -11.314 -5.568 1.00 0.00 C ATOM 403 O GLU A 26 13.245 -12.280 -5.932 1.00 0.00 O ATOM 404 CB GLU A 26 10.843 -12.945 -4.660 1.00 0.00 C ATOM 405 CG GLU A 26 10.342 -13.423 -6.013 1.00 0.00 C ATOM 406 CD GLU A 26 10.098 -14.903 -6.029 1.00 0.00 C ATOM 407 OE1 GLU A 26 11.082 -15.679 -5.971 1.00 0.00 O ATOM 408 OE2 GLU A 26 8.943 -15.327 -6.088 1.00 0.00 O ATOM 0 H GLU A 26 9.539 -10.958 -5.570 1.00 0.00 H new ATOM 0 HA GLU A 26 11.659 -11.277 -3.601 1.00 0.00 H new ATOM 0 HB2 GLU A 26 11.651 -13.601 -4.338 1.00 0.00 H new ATOM 0 HB3 GLU A 26 10.037 -13.052 -3.934 1.00 0.00 H new ATOM 0 HG2 GLU A 26 9.419 -12.900 -6.263 1.00 0.00 H new ATOM 0 HG3 GLU A 26 11.072 -13.167 -6.781 1.00 0.00 H new ATOM 415 N GLY A 27 12.850 -10.060 -5.888 1.00 0.00 N ATOM 416 CA GLY A 27 13.874 -9.689 -6.830 1.00 0.00 C ATOM 417 C GLY A 27 15.255 -10.088 -6.401 1.00 0.00 C ATOM 418 O GLY A 27 15.827 -11.049 -6.925 1.00 0.00 O ATOM 0 H GLY A 27 12.359 -9.261 -5.486 1.00 0.00 H new ATOM 0 HA2 GLY A 27 13.654 -10.149 -7.793 1.00 0.00 H new ATOM 0 HA3 GLY A 27 13.846 -8.610 -6.979 1.00 0.00 H new ATOM 422 N ALA A 28 15.804 -9.359 -5.471 1.00 0.00 N ATOM 423 CA ALA A 28 17.134 -9.651 -5.006 1.00 0.00 C ATOM 424 C ALA A 28 17.101 -10.645 -3.861 1.00 0.00 C ATOM 425 O ALA A 28 17.774 -11.674 -3.899 1.00 0.00 O ATOM 426 CB ALA A 28 17.858 -8.373 -4.601 1.00 0.00 C ATOM 0 H ALA A 28 15.355 -8.561 -5.020 1.00 0.00 H new ATOM 0 HA ALA A 28 17.688 -10.106 -5.827 1.00 0.00 H new ATOM 0 HB1 ALA A 28 18.861 -8.618 -4.253 1.00 0.00 H new ATOM 0 HB2 ALA A 28 17.925 -7.705 -5.460 1.00 0.00 H new ATOM 0 HB3 ALA A 28 17.306 -7.880 -3.800 1.00 0.00 H new ATOM 432 N THR A 29 16.308 -10.349 -2.863 1.00 0.00 N ATOM 433 CA THR A 29 16.211 -11.157 -1.665 1.00 0.00 C ATOM 434 C THR A 29 14.814 -11.037 -1.069 1.00 0.00 C ATOM 435 O THR A 29 13.966 -10.302 -1.590 1.00 0.00 O ATOM 436 CB THR A 29 17.240 -10.685 -0.602 1.00 0.00 C ATOM 437 OG1 THR A 29 17.194 -9.256 -0.485 1.00 0.00 O ATOM 438 CG2 THR A 29 18.660 -11.140 -0.909 1.00 0.00 C ATOM 0 H THR A 29 15.701 -9.529 -2.856 1.00 0.00 H new ATOM 0 HA THR A 29 16.417 -12.192 -1.938 1.00 0.00 H new ATOM 0 HB THR A 29 16.960 -11.148 0.344 1.00 0.00 H new ATOM 0 HG1 THR A 29 17.945 -8.948 0.064 1.00 0.00 H new ATOM 0 HG21 THR A 29 19.334 -10.780 -0.131 1.00 0.00 H new ATOM 0 HG22 THR A 29 18.694 -12.229 -0.943 1.00 0.00 H new ATOM 0 HG23 THR A 29 18.971 -10.737 -1.873 1.00 0.00 H new ATOM 446 N GLU A 30 14.585 -11.733 0.024 1.00 0.00 N ATOM 447 CA GLU A 30 13.334 -11.663 0.735 1.00 0.00 C ATOM 448 C GLU A 30 13.265 -10.332 1.473 1.00 0.00 C ATOM 449 O GLU A 30 12.204 -9.750 1.652 1.00 0.00 O ATOM 450 CB GLU A 30 13.232 -12.843 1.709 1.00 0.00 C ATOM 451 CG GLU A 30 11.903 -12.955 2.425 1.00 0.00 C ATOM 452 CD GLU A 30 10.759 -13.056 1.453 1.00 0.00 C ATOM 453 OE1 GLU A 30 10.614 -14.096 0.785 1.00 0.00 O ATOM 454 OE2 GLU A 30 9.982 -12.108 1.329 1.00 0.00 O ATOM 0 H GLU A 30 15.267 -12.365 0.443 1.00 0.00 H new ATOM 0 HA GLU A 30 12.496 -11.725 0.041 1.00 0.00 H new ATOM 0 HB2 GLU A 30 13.413 -13.767 1.160 1.00 0.00 H new ATOM 0 HB3 GLU A 30 14.024 -12.753 2.452 1.00 0.00 H new ATOM 0 HG2 GLU A 30 11.910 -13.832 3.072 1.00 0.00 H new ATOM 0 HG3 GLU A 30 11.760 -12.086 3.067 1.00 0.00 H new ATOM 461 N GLU A 31 14.416 -9.833 1.865 1.00 0.00 N ATOM 462 CA GLU A 31 14.473 -8.550 2.506 1.00 0.00 C ATOM 463 C GLU A 31 14.317 -7.422 1.471 1.00 0.00 C ATOM 464 O GLU A 31 13.906 -6.327 1.806 1.00 0.00 O ATOM 465 CB GLU A 31 15.731 -8.405 3.352 1.00 0.00 C ATOM 466 CG GLU A 31 17.015 -8.676 2.610 1.00 0.00 C ATOM 467 CD GLU A 31 18.210 -8.605 3.500 1.00 0.00 C ATOM 468 OE1 GLU A 31 18.429 -9.539 4.282 1.00 0.00 O ATOM 469 OE2 GLU A 31 18.949 -7.614 3.440 1.00 0.00 O ATOM 0 H GLU A 31 15.317 -10.297 1.750 1.00 0.00 H new ATOM 0 HA GLU A 31 13.634 -8.470 3.197 1.00 0.00 H new ATOM 0 HB2 GLU A 31 15.767 -7.394 3.758 1.00 0.00 H new ATOM 0 HB3 GLU A 31 15.665 -9.087 4.200 1.00 0.00 H new ATOM 0 HG2 GLU A 31 16.965 -9.663 2.151 1.00 0.00 H new ATOM 0 HG3 GLU A 31 17.124 -7.953 1.801 1.00 0.00 H new ATOM 476 N ASP A 32 14.630 -7.721 0.207 1.00 0.00 N ATOM 477 CA ASP A 32 14.398 -6.781 -0.916 1.00 0.00 C ATOM 478 C ASP A 32 12.901 -6.531 -1.050 1.00 0.00 C ATOM 479 O ASP A 32 12.454 -5.401 -1.272 1.00 0.00 O ATOM 480 CB ASP A 32 14.983 -7.352 -2.220 1.00 0.00 C ATOM 481 CG ASP A 32 14.741 -6.508 -3.454 1.00 0.00 C ATOM 482 OD1 ASP A 32 14.884 -5.267 -3.400 1.00 0.00 O ATOM 483 OD2 ASP A 32 14.427 -7.091 -4.517 1.00 0.00 O ATOM 0 H ASP A 32 15.047 -8.608 -0.075 1.00 0.00 H new ATOM 0 HA ASP A 32 14.900 -5.834 -0.716 1.00 0.00 H new ATOM 0 HB2 ASP A 32 16.058 -7.482 -2.092 1.00 0.00 H new ATOM 0 HB3 ASP A 32 14.560 -8.343 -2.387 1.00 0.00 H new ATOM 488 N ASP A 33 12.150 -7.600 -0.862 1.00 0.00 N ATOM 489 CA ASP A 33 10.680 -7.584 -0.806 1.00 0.00 C ATOM 490 C ASP A 33 10.248 -6.764 0.406 1.00 0.00 C ATOM 491 O ASP A 33 9.548 -5.750 0.294 1.00 0.00 O ATOM 492 CB ASP A 33 10.197 -9.053 -0.663 1.00 0.00 C ATOM 493 CG ASP A 33 8.691 -9.268 -0.493 1.00 0.00 C ATOM 494 OD1 ASP A 33 8.153 -9.018 0.616 1.00 0.00 O ATOM 495 OD2 ASP A 33 8.056 -9.832 -1.420 1.00 0.00 O ATOM 0 H ASP A 33 12.545 -8.533 -0.740 1.00 0.00 H new ATOM 0 HA ASP A 33 10.251 -7.140 -1.704 1.00 0.00 H new ATOM 0 HB2 ASP A 33 10.522 -9.605 -1.545 1.00 0.00 H new ATOM 0 HB3 ASP A 33 10.703 -9.496 0.195 1.00 0.00 H new ATOM 500 N ASN A 34 10.760 -7.176 1.540 1.00 0.00 N ATOM 501 CA ASN A 34 10.468 -6.594 2.841 1.00 0.00 C ATOM 502 C ASN A 34 10.728 -5.093 2.925 1.00 0.00 C ATOM 503 O ASN A 34 9.912 -4.365 3.480 1.00 0.00 O ATOM 504 CB ASN A 34 11.262 -7.330 3.896 1.00 0.00 C ATOM 505 CG ASN A 34 11.069 -6.832 5.288 1.00 0.00 C ATOM 506 OD1 ASN A 34 11.781 -5.960 5.750 1.00 0.00 O ATOM 507 ND2 ASN A 34 10.145 -7.414 5.976 1.00 0.00 N ATOM 0 H ASN A 34 11.417 -7.955 1.591 1.00 0.00 H new ATOM 0 HA ASN A 34 9.397 -6.710 3.010 1.00 0.00 H new ATOM 0 HB2 ASN A 34 10.992 -8.386 3.863 1.00 0.00 H new ATOM 0 HB3 ASN A 34 12.321 -7.264 3.645 1.00 0.00 H new ATOM 0 HD21 ASN A 34 9.988 -7.147 6.948 1.00 0.00 H new ATOM 0 HD22 ASN A 34 9.571 -8.141 5.548 1.00 0.00 H new ATOM 514 N LYS A 35 11.845 -4.619 2.376 1.00 0.00 N ATOM 515 CA LYS A 35 12.158 -3.195 2.447 1.00 0.00 C ATOM 516 C LYS A 35 11.137 -2.355 1.694 1.00 0.00 C ATOM 517 O LYS A 35 10.895 -1.198 2.056 1.00 0.00 O ATOM 518 CB LYS A 35 13.590 -2.859 1.999 1.00 0.00 C ATOM 519 CG LYS A 35 13.923 -3.194 0.559 1.00 0.00 C ATOM 520 CD LYS A 35 15.298 -2.667 0.195 1.00 0.00 C ATOM 521 CE LYS A 35 15.703 -3.050 -1.219 1.00 0.00 C ATOM 522 NZ LYS A 35 14.745 -2.585 -2.243 1.00 0.00 N ATOM 0 H LYS A 35 12.536 -5.188 1.886 1.00 0.00 H new ATOM 0 HA LYS A 35 12.100 -2.936 3.504 1.00 0.00 H new ATOM 0 HB2 LYS A 35 13.759 -1.793 2.153 1.00 0.00 H new ATOM 0 HB3 LYS A 35 14.288 -3.389 2.647 1.00 0.00 H new ATOM 0 HG2 LYS A 35 13.891 -4.274 0.414 1.00 0.00 H new ATOM 0 HG3 LYS A 35 13.174 -2.761 -0.104 1.00 0.00 H new ATOM 0 HD2 LYS A 35 15.307 -1.581 0.292 1.00 0.00 H new ATOM 0 HD3 LYS A 35 16.033 -3.056 0.900 1.00 0.00 H new ATOM 0 HE2 LYS A 35 16.687 -2.633 -1.434 1.00 0.00 H new ATOM 0 HE3 LYS A 35 15.796 -4.134 -1.283 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 14.278 -3.405 -2.680 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 14.029 -1.976 -1.798 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 15.252 -2.046 -2.974 1.00 0.00 H new ATOM 536 N LEU A 36 10.523 -2.930 0.655 1.00 0.00 N ATOM 537 CA LEU A 36 9.467 -2.224 -0.047 1.00 0.00 C ATOM 538 C LEU A 36 8.269 -2.139 0.867 1.00 0.00 C ATOM 539 O LEU A 36 7.693 -1.077 1.061 1.00 0.00 O ATOM 540 CB LEU A 36 9.076 -2.919 -1.359 1.00 0.00 C ATOM 541 CG LEU A 36 10.168 -3.027 -2.426 1.00 0.00 C ATOM 542 CD1 LEU A 36 9.635 -3.759 -3.643 1.00 0.00 C ATOM 543 CD2 LEU A 36 10.677 -1.642 -2.822 1.00 0.00 C ATOM 0 H LEU A 36 10.737 -3.860 0.294 1.00 0.00 H new ATOM 0 HA LEU A 36 9.828 -1.230 -0.311 1.00 0.00 H new ATOM 0 HB2 LEU A 36 8.730 -3.925 -1.122 1.00 0.00 H new ATOM 0 HB3 LEU A 36 8.230 -2.384 -1.790 1.00 0.00 H new ATOM 0 HG LEU A 36 11.003 -3.591 -2.010 1.00 0.00 H new ATOM 0 HD11 LEU A 36 10.419 -3.831 -4.397 1.00 0.00 H new ATOM 0 HD12 LEU A 36 9.316 -4.761 -3.354 1.00 0.00 H new ATOM 0 HD13 LEU A 36 8.786 -3.212 -4.054 1.00 0.00 H new ATOM 0 HD21 LEU A 36 11.452 -1.743 -3.581 1.00 0.00 H new ATOM 0 HD22 LEU A 36 9.852 -1.052 -3.222 1.00 0.00 H new ATOM 0 HD23 LEU A 36 11.090 -1.142 -1.946 1.00 0.00 H new ATOM 555 N VAL A 37 7.958 -3.259 1.489 1.00 0.00 N ATOM 556 CA VAL A 37 6.843 -3.354 2.419 1.00 0.00 C ATOM 557 C VAL A 37 7.020 -2.340 3.563 1.00 0.00 C ATOM 558 O VAL A 37 6.060 -1.734 4.024 1.00 0.00 O ATOM 559 CB VAL A 37 6.697 -4.799 3.007 1.00 0.00 C ATOM 560 CG1 VAL A 37 5.441 -4.905 3.853 1.00 0.00 C ATOM 561 CG2 VAL A 37 6.654 -5.835 1.894 1.00 0.00 C ATOM 0 H VAL A 37 8.470 -4.132 1.366 1.00 0.00 H new ATOM 0 HA VAL A 37 5.933 -3.125 1.865 1.00 0.00 H new ATOM 0 HB VAL A 37 7.567 -4.994 3.634 1.00 0.00 H new ATOM 0 HG11 VAL A 37 5.356 -5.915 4.253 1.00 0.00 H new ATOM 0 HG12 VAL A 37 5.495 -4.192 4.676 1.00 0.00 H new ATOM 0 HG13 VAL A 37 4.569 -4.684 3.238 1.00 0.00 H new ATOM 0 HG21 VAL A 37 6.552 -6.830 2.327 1.00 0.00 H new ATOM 0 HG22 VAL A 37 5.803 -5.634 1.243 1.00 0.00 H new ATOM 0 HG23 VAL A 37 7.575 -5.784 1.314 1.00 0.00 H new ATOM 571 N ARG A 38 8.256 -2.134 3.981 1.00 0.00 N ATOM 572 CA ARG A 38 8.539 -1.186 5.045 1.00 0.00 C ATOM 573 C ARG A 38 8.284 0.241 4.606 1.00 0.00 C ATOM 574 O ARG A 38 7.566 0.960 5.287 1.00 0.00 O ATOM 575 CB ARG A 38 9.961 -1.294 5.578 1.00 0.00 C ATOM 576 CG ARG A 38 10.334 -2.631 6.167 1.00 0.00 C ATOM 577 CD ARG A 38 11.716 -2.557 6.769 1.00 0.00 C ATOM 578 NE ARG A 38 12.178 -3.844 7.268 1.00 0.00 N ATOM 579 CZ ARG A 38 13.014 -4.032 8.289 1.00 0.00 C ATOM 580 NH1 ARG A 38 13.422 -2.996 9.031 1.00 0.00 N ATOM 581 NH2 ARG A 38 13.426 -5.264 8.581 1.00 0.00 N ATOM 0 H ARG A 38 9.076 -2.607 3.603 1.00 0.00 H new ATOM 0 HA ARG A 38 7.854 -1.448 5.851 1.00 0.00 H new ATOM 0 HB2 ARG A 38 10.653 -1.069 4.766 1.00 0.00 H new ATOM 0 HB3 ARG A 38 10.104 -0.528 6.340 1.00 0.00 H new ATOM 0 HG2 ARG A 38 9.610 -2.917 6.930 1.00 0.00 H new ATOM 0 HG3 ARG A 38 10.304 -3.400 5.395 1.00 0.00 H new ATOM 0 HD2 ARG A 38 12.416 -2.190 6.019 1.00 0.00 H new ATOM 0 HD3 ARG A 38 11.715 -1.834 7.585 1.00 0.00 H new ATOM 0 HE ARG A 38 11.831 -4.677 6.793 1.00 0.00 H new ATOM 0 HH11 ARG A 38 13.093 -2.054 8.817 1.00 0.00 H new ATOM 0 HH12 ARG A 38 14.062 -3.148 9.811 1.00 0.00 H new ATOM 0 HH21 ARG A 38 13.102 -6.055 8.025 1.00 0.00 H new ATOM 0 HH22 ARG A 38 14.066 -5.416 9.361 1.00 0.00 H new ATOM 595 N GLU A 39 8.847 0.647 3.458 1.00 0.00 N ATOM 596 CA GLU A 39 8.696 2.032 3.000 1.00 0.00 C ATOM 597 C GLU A 39 7.231 2.366 2.792 1.00 0.00 C ATOM 598 O GLU A 39 6.765 3.428 3.204 1.00 0.00 O ATOM 599 CB GLU A 39 9.523 2.350 1.724 1.00 0.00 C ATOM 600 CG GLU A 39 9.098 1.602 0.464 1.00 0.00 C ATOM 601 CD GLU A 39 9.876 2.013 -0.756 1.00 0.00 C ATOM 602 OE1 GLU A 39 11.057 1.648 -0.872 1.00 0.00 O ATOM 603 OE2 GLU A 39 9.326 2.730 -1.615 1.00 0.00 O ATOM 0 H GLU A 39 9.399 0.049 2.843 1.00 0.00 H new ATOM 0 HA GLU A 39 9.100 2.666 3.789 1.00 0.00 H new ATOM 0 HB2 GLU A 39 9.460 3.421 1.529 1.00 0.00 H new ATOM 0 HB3 GLU A 39 10.570 2.123 1.925 1.00 0.00 H new ATOM 0 HG2 GLU A 39 9.224 0.531 0.624 1.00 0.00 H new ATOM 0 HG3 GLU A 39 8.037 1.775 0.286 1.00 0.00 H new ATOM 610 N PHE A 40 6.500 1.428 2.218 1.00 0.00 N ATOM 611 CA PHE A 40 5.104 1.613 1.959 1.00 0.00 C ATOM 612 C PHE A 40 4.300 1.696 3.246 1.00 0.00 C ATOM 613 O PHE A 40 3.474 2.590 3.403 1.00 0.00 O ATOM 614 CB PHE A 40 4.571 0.556 0.999 1.00 0.00 C ATOM 615 CG PHE A 40 5.106 0.701 -0.416 1.00 0.00 C ATOM 616 CD1 PHE A 40 4.911 1.876 -1.129 1.00 0.00 C ATOM 617 CD2 PHE A 40 5.777 -0.341 -1.035 1.00 0.00 C ATOM 618 CE1 PHE A 40 5.381 2.003 -2.423 1.00 0.00 C ATOM 619 CE2 PHE A 40 6.249 -0.219 -2.325 1.00 0.00 C ATOM 620 CZ PHE A 40 6.051 0.951 -3.020 1.00 0.00 C ATOM 0 H PHE A 40 6.866 0.523 1.923 1.00 0.00 H new ATOM 0 HA PHE A 40 4.983 2.575 1.461 1.00 0.00 H new ATOM 0 HB2 PHE A 40 4.831 -0.432 1.378 1.00 0.00 H new ATOM 0 HB3 PHE A 40 3.483 0.613 0.976 1.00 0.00 H new ATOM 0 HD1 PHE A 40 4.386 2.700 -0.668 1.00 0.00 H new ATOM 0 HD2 PHE A 40 5.933 -1.265 -0.498 1.00 0.00 H new ATOM 0 HE1 PHE A 40 5.225 2.923 -2.967 1.00 0.00 H new ATOM 0 HE2 PHE A 40 6.773 -1.041 -2.789 1.00 0.00 H new ATOM 0 HZ PHE A 40 6.418 1.048 -4.031 1.00 0.00 H new ATOM 630 N GLU A 41 4.604 0.833 4.196 1.00 0.00 N ATOM 631 CA GLU A 41 3.915 0.849 5.466 1.00 0.00 C ATOM 632 C GLU A 41 4.234 2.040 6.343 1.00 0.00 C ATOM 633 O GLU A 41 3.484 2.374 7.253 1.00 0.00 O ATOM 634 CB GLU A 41 3.998 -0.485 6.187 1.00 0.00 C ATOM 635 CG GLU A 41 3.006 -1.433 5.573 1.00 0.00 C ATOM 636 CD GLU A 41 1.663 -0.755 5.568 1.00 0.00 C ATOM 637 OE1 GLU A 41 1.078 -0.654 6.657 1.00 0.00 O ATOM 638 OE2 GLU A 41 1.199 -0.290 4.520 1.00 0.00 O ATOM 0 H GLU A 41 5.323 0.114 4.110 1.00 0.00 H new ATOM 0 HA GLU A 41 2.864 0.994 5.217 1.00 0.00 H new ATOM 0 HB2 GLU A 41 5.006 -0.893 6.111 1.00 0.00 H new ATOM 0 HB3 GLU A 41 3.787 -0.354 7.248 1.00 0.00 H new ATOM 0 HG2 GLU A 41 3.305 -1.695 4.558 1.00 0.00 H new ATOM 0 HG3 GLU A 41 2.963 -2.362 6.142 1.00 0.00 H new ATOM 645 N ARG A 42 5.322 2.700 6.073 1.00 0.00 N ATOM 646 CA ARG A 42 5.647 3.913 6.804 1.00 0.00 C ATOM 647 C ARG A 42 4.984 5.104 6.148 1.00 0.00 C ATOM 648 O ARG A 42 4.780 6.137 6.778 1.00 0.00 O ATOM 649 CB ARG A 42 7.147 4.106 6.913 1.00 0.00 C ATOM 650 CG ARG A 42 7.847 2.961 7.608 1.00 0.00 C ATOM 651 CD ARG A 42 9.349 3.166 7.668 1.00 0.00 C ATOM 652 NE ARG A 42 9.710 4.354 8.456 1.00 0.00 N ATOM 653 CZ ARG A 42 10.910 4.933 8.491 1.00 0.00 C ATOM 654 NH1 ARG A 42 11.908 4.454 7.763 1.00 0.00 N ATOM 655 NH2 ARG A 42 11.103 5.986 9.271 1.00 0.00 N ATOM 0 H ARG A 42 6.001 2.431 5.361 1.00 0.00 H new ATOM 0 HA ARG A 42 5.263 3.819 7.820 1.00 0.00 H new ATOM 0 HB2 ARG A 42 7.565 4.225 5.913 1.00 0.00 H new ATOM 0 HB3 ARG A 42 7.349 5.030 7.455 1.00 0.00 H new ATOM 0 HG2 ARG A 42 7.455 2.857 8.620 1.00 0.00 H new ATOM 0 HG3 ARG A 42 7.629 2.031 7.084 1.00 0.00 H new ATOM 0 HD2 ARG A 42 9.818 2.284 8.105 1.00 0.00 H new ATOM 0 HD3 ARG A 42 9.742 3.268 6.656 1.00 0.00 H new ATOM 0 HE ARG A 42 8.976 4.773 9.027 1.00 0.00 H new ATOM 0 HH11 ARG A 42 11.761 3.637 7.171 1.00 0.00 H new ATOM 0 HH12 ARG A 42 12.824 4.902 7.795 1.00 0.00 H new ATOM 0 HH21 ARG A 42 10.337 6.348 9.839 1.00 0.00 H new ATOM 0 HH22 ARG A 42 12.018 6.435 9.304 1.00 0.00 H new ATOM 669 N LEU A 43 4.644 4.941 4.894 1.00 0.00 N ATOM 670 CA LEU A 43 3.934 5.944 4.136 1.00 0.00 C ATOM 671 C LEU A 43 2.471 5.938 4.526 1.00 0.00 C ATOM 672 O LEU A 43 1.838 6.987 4.658 1.00 0.00 O ATOM 673 CB LEU A 43 4.068 5.653 2.640 1.00 0.00 C ATOM 674 CG LEU A 43 5.424 5.915 2.009 1.00 0.00 C ATOM 675 CD1 LEU A 43 5.424 5.435 0.573 1.00 0.00 C ATOM 676 CD2 LEU A 43 5.756 7.393 2.069 1.00 0.00 C ATOM 0 H LEU A 43 4.855 4.096 4.362 1.00 0.00 H new ATOM 0 HA LEU A 43 4.360 6.924 4.351 1.00 0.00 H new ATOM 0 HB2 LEU A 43 3.813 4.606 2.474 1.00 0.00 H new ATOM 0 HB3 LEU A 43 3.326 6.250 2.110 1.00 0.00 H new ATOM 0 HG LEU A 43 6.185 5.367 2.566 1.00 0.00 H new ATOM 0 HD11 LEU A 43 6.399 5.626 0.126 1.00 0.00 H new ATOM 0 HD12 LEU A 43 5.216 4.365 0.547 1.00 0.00 H new ATOM 0 HD13 LEU A 43 4.657 5.968 0.011 1.00 0.00 H new ATOM 0 HD21 LEU A 43 6.731 7.566 1.613 1.00 0.00 H new ATOM 0 HD22 LEU A 43 4.997 7.959 1.528 1.00 0.00 H new ATOM 0 HD23 LEU A 43 5.779 7.719 3.109 1.00 0.00 H new ATOM 688 N THR A 44 1.951 4.760 4.720 1.00 0.00 N ATOM 689 CA THR A 44 0.565 4.576 5.060 1.00 0.00 C ATOM 690 C THR A 44 0.351 4.765 6.530 1.00 0.00 C ATOM 691 O THR A 44 -0.718 5.237 6.960 1.00 0.00 O ATOM 692 CB THR A 44 0.148 3.160 4.678 1.00 0.00 C ATOM 693 OG1 THR A 44 1.052 2.246 5.290 1.00 0.00 O ATOM 694 CG2 THR A 44 0.226 3.017 3.200 1.00 0.00 C ATOM 0 H THR A 44 2.480 3.891 4.647 1.00 0.00 H new ATOM 0 HA THR A 44 -0.031 5.312 4.520 1.00 0.00 H new ATOM 0 HB THR A 44 -0.870 2.958 5.010 1.00 0.00 H new ATOM 0 HG1 THR A 44 1.087 1.420 4.764 1.00 0.00 H new ATOM 0 HG21 THR A 44 -0.070 2.007 2.916 1.00 0.00 H new ATOM 0 HG22 THR A 44 -0.443 3.737 2.729 1.00 0.00 H new ATOM 0 HG23 THR A 44 1.248 3.201 2.870 1.00 0.00 H new ATOM 702 N GLU A 45 1.386 4.377 7.308 1.00 0.00 N ATOM 703 CA GLU A 45 1.352 4.334 8.764 1.00 0.00 C ATOM 704 C GLU A 45 0.274 3.326 9.152 1.00 0.00 C ATOM 705 O GLU A 45 -0.235 3.319 10.288 1.00 0.00 O ATOM 706 CB GLU A 45 1.038 5.711 9.371 1.00 0.00 C ATOM 707 CG GLU A 45 1.979 6.829 8.969 1.00 0.00 C ATOM 708 CD GLU A 45 1.586 8.160 9.579 1.00 0.00 C ATOM 709 OE1 GLU A 45 0.527 8.711 9.209 1.00 0.00 O ATOM 710 OE2 GLU A 45 2.337 8.700 10.418 1.00 0.00 O ATOM 0 H GLU A 45 2.282 4.081 6.920 1.00 0.00 H new ATOM 0 HA GLU A 45 2.329 4.043 9.150 1.00 0.00 H new ATOM 0 HB2 GLU A 45 0.024 5.992 9.086 1.00 0.00 H new ATOM 0 HB3 GLU A 45 1.050 5.622 10.457 1.00 0.00 H new ATOM 0 HG2 GLU A 45 2.993 6.576 9.278 1.00 0.00 H new ATOM 0 HG3 GLU A 45 1.990 6.919 7.883 1.00 0.00 H new ATOM 717 N HIS A 46 -0.020 2.424 8.209 1.00 0.00 N ATOM 718 CA HIS A 46 -1.092 1.505 8.351 1.00 0.00 C ATOM 719 C HIS A 46 -0.673 0.362 9.297 1.00 0.00 C ATOM 720 O HIS A 46 0.435 -0.115 9.257 1.00 0.00 O ATOM 721 CB HIS A 46 -1.608 1.005 6.955 1.00 0.00 C ATOM 722 CG HIS A 46 -2.893 0.249 7.042 1.00 0.00 C ATOM 723 ND1 HIS A 46 -2.976 -1.040 7.468 1.00 0.00 N ATOM 724 CD2 HIS A 46 -4.164 0.688 6.931 1.00 0.00 C ATOM 725 CE1 HIS A 46 -4.256 -1.335 7.651 1.00 0.00 C ATOM 726 NE2 HIS A 46 -5.029 -0.325 7.327 1.00 0.00 N ATOM 0 H HIS A 46 0.496 2.332 7.334 1.00 0.00 H new ATOM 0 HA HIS A 46 -1.944 2.008 8.809 1.00 0.00 H new ATOM 0 HB2 HIS A 46 -1.742 1.862 6.295 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -0.849 0.368 6.500 1.00 0.00 H new ATOM 0 HD2 HIS A 46 -4.461 1.669 6.589 1.00 0.00 H new ATOM 0 HE1 HIS A 46 -4.616 -2.284 8.019 1.00 0.00 H new ATOM 0 HE2 HIS A 46 -6.048 -0.291 7.359 1.00 0.00 H new ATOM 734 N PRO A 47 -1.542 -0.008 10.203 1.00 0.00 N ATOM 735 CA PRO A 47 -1.275 -1.018 11.226 1.00 0.00 C ATOM 736 C PRO A 47 -1.022 -2.394 10.688 1.00 0.00 C ATOM 737 O PRO A 47 -0.001 -3.015 10.962 1.00 0.00 O ATOM 738 CB PRO A 47 -2.565 -1.038 12.016 1.00 0.00 C ATOM 739 CG PRO A 47 -3.573 -0.338 11.217 1.00 0.00 C ATOM 740 CD PRO A 47 -2.856 0.570 10.343 1.00 0.00 C ATOM 0 HA PRO A 47 -0.373 -0.768 11.784 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -2.877 -2.063 12.217 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -2.432 -0.550 12.982 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -4.167 -1.045 10.637 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -4.265 0.208 11.859 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -3.352 0.662 9.377 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -2.803 1.571 10.771 1.00 0.00 H new ATOM 748 N ASP A 48 -1.916 -2.824 9.871 1.00 0.00 N ATOM 749 CA ASP A 48 -1.945 -4.164 9.425 1.00 0.00 C ATOM 750 C ASP A 48 -1.602 -4.161 7.992 1.00 0.00 C ATOM 751 O ASP A 48 -1.962 -5.052 7.280 1.00 0.00 O ATOM 752 CB ASP A 48 -3.350 -4.762 9.576 1.00 0.00 C ATOM 753 CG ASP A 48 -3.911 -4.697 10.968 1.00 0.00 C ATOM 754 OD1 ASP A 48 -3.453 -5.444 11.850 1.00 0.00 O ATOM 755 OD2 ASP A 48 -4.862 -3.911 11.194 1.00 0.00 O ATOM 0 H ASP A 48 -2.660 -2.241 9.489 1.00 0.00 H new ATOM 0 HA ASP A 48 -1.245 -4.756 10.015 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -4.027 -4.240 8.901 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -3.323 -5.804 9.257 1.00 0.00 H new ATOM 760 N GLY A 49 -0.914 -3.122 7.577 1.00 0.00 N ATOM 761 CA GLY A 49 -0.548 -2.956 6.154 1.00 0.00 C ATOM 762 C GLY A 49 0.229 -4.082 5.628 1.00 0.00 C ATOM 763 O GLY A 49 -0.075 -4.620 4.560 1.00 0.00 O ATOM 0 H GLY A 49 -0.589 -2.372 8.187 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -1.456 -2.840 5.562 1.00 0.00 H new ATOM 0 HA3 GLY A 49 0.028 -2.038 6.037 1.00 0.00 H new ATOM 767 N SER A 50 1.192 -4.472 6.374 1.00 0.00 N ATOM 768 CA SER A 50 1.978 -5.626 6.025 1.00 0.00 C ATOM 769 C SER A 50 1.059 -6.869 5.968 1.00 0.00 C ATOM 770 O SER A 50 1.049 -7.636 4.991 1.00 0.00 O ATOM 771 CB SER A 50 3.104 -5.784 7.044 1.00 0.00 C ATOM 772 OG SER A 50 2.593 -5.683 8.366 1.00 0.00 O ATOM 0 H SER A 50 1.469 -4.014 7.242 1.00 0.00 H new ATOM 0 HA SER A 50 2.432 -5.507 5.041 1.00 0.00 H new ATOM 0 HB2 SER A 50 3.593 -6.749 6.909 1.00 0.00 H new ATOM 0 HB3 SER A 50 3.861 -5.017 6.880 1.00 0.00 H new ATOM 0 HG SER A 50 3.325 -5.788 9.009 1.00 0.00 H new ATOM 778 N ASP A 51 0.200 -6.969 6.961 1.00 0.00 N ATOM 779 CA ASP A 51 -0.745 -8.069 7.106 1.00 0.00 C ATOM 780 C ASP A 51 -1.857 -8.030 6.057 1.00 0.00 C ATOM 781 O ASP A 51 -2.588 -8.961 5.935 1.00 0.00 O ATOM 782 CB ASP A 51 -1.376 -8.085 8.506 1.00 0.00 C ATOM 783 CG ASP A 51 -0.372 -8.271 9.610 1.00 0.00 C ATOM 784 OD1 ASP A 51 0.038 -9.415 9.871 1.00 0.00 O ATOM 785 OD2 ASP A 51 0.030 -7.268 10.232 1.00 0.00 O ATOM 0 H ASP A 51 0.134 -6.277 7.707 1.00 0.00 H new ATOM 0 HA ASP A 51 -0.166 -8.980 6.957 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -1.912 -7.149 8.666 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -2.113 -8.887 8.556 1.00 0.00 H new ATOM 790 N LEU A 52 -1.998 -6.932 5.333 1.00 0.00 N ATOM 791 CA LEU A 52 -3.007 -6.819 4.242 1.00 0.00 C ATOM 792 C LEU A 52 -2.539 -7.633 3.072 1.00 0.00 C ATOM 793 O LEU A 52 -3.331 -8.198 2.317 1.00 0.00 O ATOM 794 CB LEU A 52 -3.150 -5.352 3.774 1.00 0.00 C ATOM 795 CG LEU A 52 -3.567 -4.303 4.805 1.00 0.00 C ATOM 796 CD1 LEU A 52 -3.598 -2.930 4.171 1.00 0.00 C ATOM 797 CD2 LEU A 52 -4.915 -4.619 5.406 1.00 0.00 C ATOM 0 H LEU A 52 -1.434 -6.093 5.466 1.00 0.00 H new ATOM 0 HA LEU A 52 -3.967 -7.173 4.617 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -2.194 -5.042 3.352 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -3.878 -5.330 2.963 1.00 0.00 H new ATOM 0 HG LEU A 52 -2.828 -4.317 5.606 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -3.896 -2.192 4.916 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -2.607 -2.682 3.791 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -4.313 -2.925 3.348 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -5.178 -3.852 6.134 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -5.668 -4.645 4.618 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -4.874 -5.590 5.901 1.00 0.00 H new ATOM 809 N ILE A 53 -1.249 -7.702 2.951 1.00 0.00 N ATOM 810 CA ILE A 53 -0.616 -8.382 1.858 1.00 0.00 C ATOM 811 C ILE A 53 -0.500 -9.841 2.211 1.00 0.00 C ATOM 812 O ILE A 53 -0.808 -10.734 1.418 1.00 0.00 O ATOM 813 CB ILE A 53 0.798 -7.797 1.647 1.00 0.00 C ATOM 814 CG1 ILE A 53 0.701 -6.278 1.449 1.00 0.00 C ATOM 815 CG2 ILE A 53 1.503 -8.464 0.459 1.00 0.00 C ATOM 816 CD1 ILE A 53 2.030 -5.574 1.463 1.00 0.00 C ATOM 0 H ILE A 53 -0.597 -7.284 3.615 1.00 0.00 H new ATOM 0 HA ILE A 53 -1.200 -8.259 0.946 1.00 0.00 H new ATOM 0 HB ILE A 53 1.398 -8.001 2.534 1.00 0.00 H new ATOM 0 HG12 ILE A 53 0.204 -6.076 0.500 1.00 0.00 H new ATOM 0 HG13 ILE A 53 0.071 -5.859 2.234 1.00 0.00 H new ATOM 0 HG21 ILE A 53 2.496 -8.031 0.335 1.00 0.00 H new ATOM 0 HG22 ILE A 53 1.594 -9.534 0.644 1.00 0.00 H new ATOM 0 HG23 ILE A 53 0.921 -8.301 -0.448 1.00 0.00 H new ATOM 0 HD11 ILE A 53 1.877 -4.505 1.317 1.00 0.00 H new ATOM 0 HD12 ILE A 53 2.521 -5.743 2.421 1.00 0.00 H new ATOM 0 HD13 ILE A 53 2.657 -5.964 0.661 1.00 0.00 H new ATOM 828 N TYR A 54 -0.092 -10.067 3.428 1.00 0.00 N ATOM 829 CA TYR A 54 0.160 -11.389 3.911 1.00 0.00 C ATOM 830 C TYR A 54 -1.109 -12.123 4.358 1.00 0.00 C ATOM 831 O TYR A 54 -1.153 -13.350 4.327 1.00 0.00 O ATOM 832 CB TYR A 54 1.199 -11.353 5.018 1.00 0.00 C ATOM 833 CG TYR A 54 2.550 -10.813 4.575 1.00 0.00 C ATOM 834 CD1 TYR A 54 3.245 -11.384 3.511 1.00 0.00 C ATOM 835 CD2 TYR A 54 3.126 -9.738 5.221 1.00 0.00 C ATOM 836 CE1 TYR A 54 4.475 -10.889 3.117 1.00 0.00 C ATOM 837 CE2 TYR A 54 4.345 -9.236 4.832 1.00 0.00 C ATOM 838 CZ TYR A 54 5.020 -9.809 3.785 1.00 0.00 C ATOM 839 OH TYR A 54 6.255 -9.303 3.418 1.00 0.00 O ATOM 0 H TYR A 54 0.075 -9.332 4.115 1.00 0.00 H new ATOM 0 HA TYR A 54 0.553 -11.965 3.073 1.00 0.00 H new ATOM 0 HB2 TYR A 54 0.823 -10.739 5.836 1.00 0.00 H new ATOM 0 HB3 TYR A 54 1.332 -12.361 5.411 1.00 0.00 H new ATOM 0 HD1 TYR A 54 2.817 -12.225 2.986 1.00 0.00 H new ATOM 0 HD2 TYR A 54 2.607 -9.281 6.051 1.00 0.00 H new ATOM 0 HE1 TYR A 54 5.006 -11.343 2.293 1.00 0.00 H new ATOM 0 HE2 TYR A 54 4.771 -8.390 5.351 1.00 0.00 H new ATOM 0 HH TYR A 54 6.482 -8.544 3.994 1.00 0.00 H new ATOM 849 N TYR A 55 -2.123 -11.390 4.762 1.00 0.00 N ATOM 850 CA TYR A 55 -3.378 -11.970 5.205 1.00 0.00 C ATOM 851 C TYR A 55 -4.528 -11.305 4.471 1.00 0.00 C ATOM 852 O TYR A 55 -4.798 -10.111 4.666 1.00 0.00 O ATOM 853 CB TYR A 55 -3.565 -11.825 6.715 1.00 0.00 C ATOM 854 CG TYR A 55 -2.535 -12.548 7.525 1.00 0.00 C ATOM 855 CD1 TYR A 55 -2.656 -13.901 7.762 1.00 0.00 C ATOM 856 CD2 TYR A 55 -1.445 -11.881 8.058 1.00 0.00 C ATOM 857 CE1 TYR A 55 -1.724 -14.573 8.506 1.00 0.00 C ATOM 858 CE2 TYR A 55 -0.503 -12.548 8.803 1.00 0.00 C ATOM 859 CZ TYR A 55 -0.649 -13.895 9.024 1.00 0.00 C ATOM 860 OH TYR A 55 0.275 -14.565 9.779 1.00 0.00 O ATOM 0 H TYR A 55 -2.103 -10.371 4.794 1.00 0.00 H new ATOM 0 HA TYR A 55 -3.360 -13.036 4.977 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -3.540 -10.767 6.974 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -4.553 -12.197 6.986 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -3.499 -14.439 7.354 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -1.334 -10.821 7.886 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -1.834 -15.632 8.685 1.00 0.00 H new ATOM 0 HE2 TYR A 55 0.345 -12.018 9.211 1.00 0.00 H new ATOM 0 HH TYR A 55 0.974 -13.942 10.069 1.00 0.00 H new ATOM 870 N PRO A 56 -5.224 -12.063 3.644 1.00 0.00 N ATOM 871 CA PRO A 56 -6.271 -11.548 2.764 1.00 0.00 C ATOM 872 C PRO A 56 -7.448 -10.863 3.471 1.00 0.00 C ATOM 873 O PRO A 56 -7.890 -11.255 4.553 1.00 0.00 O ATOM 874 CB PRO A 56 -6.734 -12.775 1.980 1.00 0.00 C ATOM 875 CG PRO A 56 -6.324 -13.932 2.820 1.00 0.00 C ATOM 876 CD PRO A 56 -5.057 -13.517 3.489 1.00 0.00 C ATOM 0 HA PRO A 56 -5.871 -10.747 2.143 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -7.813 -12.761 1.823 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -6.269 -12.815 0.995 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -7.093 -14.175 3.554 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -6.171 -14.823 2.211 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -4.928 -14.013 4.451 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -4.183 -13.761 2.885 1.00 0.00 H new ATOM 884 N ARG A 57 -7.965 -9.866 2.807 1.00 0.00 N ATOM 885 CA ARG A 57 -9.059 -9.032 3.281 1.00 0.00 C ATOM 886 C ARG A 57 -10.306 -9.493 2.635 1.00 0.00 C ATOM 887 O ARG A 57 -11.101 -8.684 2.168 1.00 0.00 O ATOM 888 CB ARG A 57 -8.888 -7.637 2.827 1.00 0.00 C ATOM 889 CG ARG A 57 -7.525 -7.036 3.114 1.00 0.00 C ATOM 890 CD ARG A 57 -7.286 -7.009 4.611 1.00 0.00 C ATOM 891 NE ARG A 57 -8.316 -6.218 5.307 1.00 0.00 N ATOM 892 CZ ARG A 57 -8.812 -6.483 6.520 1.00 0.00 C ATOM 893 NH1 ARG A 57 -8.391 -7.541 7.205 1.00 0.00 N ATOM 894 NH2 ARG A 57 -9.735 -5.685 7.034 1.00 0.00 N ATOM 0 H ARG A 57 -7.629 -9.593 1.883 1.00 0.00 H new ATOM 0 HA ARG A 57 -9.083 -9.092 4.369 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -9.069 -7.595 1.753 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -9.649 -7.019 3.303 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -6.748 -7.621 2.622 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -7.469 -6.026 2.708 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -7.284 -8.028 4.999 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -6.302 -6.588 4.816 1.00 0.00 H new ATOM 0 HE ARG A 57 -8.682 -5.399 4.822 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -7.684 -8.159 6.806 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -8.775 -7.736 8.130 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -10.062 -4.876 6.505 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -10.119 -5.879 7.959 1.00 0.00 H new ATOM 908 N ASP A 58 -10.470 -10.769 2.594 1.00 0.00 N ATOM 909 CA ASP A 58 -11.625 -11.451 1.965 1.00 0.00 C ATOM 910 C ASP A 58 -13.011 -10.975 2.531 1.00 0.00 C ATOM 911 O ASP A 58 -14.071 -11.407 2.081 1.00 0.00 O ATOM 912 CB ASP A 58 -11.451 -12.976 2.072 1.00 0.00 C ATOM 913 CG ASP A 58 -12.477 -13.754 1.279 1.00 0.00 C ATOM 914 OD1 ASP A 58 -12.489 -13.659 0.035 1.00 0.00 O ATOM 915 OD2 ASP A 58 -13.294 -14.459 1.871 1.00 0.00 O ATOM 0 H ASP A 58 -9.799 -11.419 3.003 1.00 0.00 H new ATOM 0 HA ASP A 58 -11.638 -11.170 0.912 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -10.454 -13.246 1.725 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -11.514 -13.269 3.120 1.00 0.00 H new ATOM 920 N ASP A 59 -12.969 -10.029 3.466 1.00 0.00 N ATOM 921 CA ASP A 59 -14.161 -9.393 4.012 1.00 0.00 C ATOM 922 C ASP A 59 -14.696 -8.451 2.938 1.00 0.00 C ATOM 923 O ASP A 59 -15.906 -8.228 2.812 1.00 0.00 O ATOM 924 CB ASP A 59 -13.810 -8.594 5.277 1.00 0.00 C ATOM 925 CG ASP A 59 -15.027 -8.037 6.000 1.00 0.00 C ATOM 926 OD1 ASP A 59 -15.591 -8.749 6.873 1.00 0.00 O ATOM 927 OD2 ASP A 59 -15.419 -6.876 5.751 1.00 0.00 O ATOM 0 H ASP A 59 -12.099 -9.681 3.868 1.00 0.00 H new ATOM 0 HA ASP A 59 -14.904 -10.142 4.285 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -13.254 -9.236 5.960 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -13.150 -7.770 5.005 1.00 0.00 H new ATOM 932 N ARG A 60 -13.770 -7.941 2.138 1.00 0.00 N ATOM 933 CA ARG A 60 -14.066 -7.122 0.996 1.00 0.00 C ATOM 934 C ARG A 60 -13.466 -7.845 -0.210 1.00 0.00 C ATOM 935 O ARG A 60 -13.130 -9.044 -0.106 1.00 0.00 O ATOM 936 CB ARG A 60 -13.440 -5.714 1.145 1.00 0.00 C ATOM 937 CG ARG A 60 -11.913 -5.677 1.121 1.00 0.00 C ATOM 938 CD ARG A 60 -11.400 -4.252 1.040 1.00 0.00 C ATOM 939 NE ARG A 60 -11.517 -3.511 2.312 1.00 0.00 N ATOM 940 CZ ARG A 60 -12.311 -2.449 2.549 1.00 0.00 C ATOM 941 NH1 ARG A 60 -13.198 -2.033 1.644 1.00 0.00 N ATOM 942 NH2 ARG A 60 -12.211 -1.803 3.698 1.00 0.00 N ATOM 0 H ARG A 60 -12.772 -8.096 2.278 1.00 0.00 H new ATOM 0 HA ARG A 60 -15.141 -6.979 0.886 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -13.816 -5.080 0.342 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -13.784 -5.278 2.083 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -11.521 -6.157 2.018 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -11.546 -6.247 0.268 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -10.354 -4.268 0.733 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -11.952 -3.719 0.266 1.00 0.00 H new ATOM 0 HE ARG A 60 -10.940 -3.835 3.088 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -13.284 -2.521 0.753 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -13.790 -1.227 1.843 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -11.536 -2.110 4.398 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -12.809 -0.998 3.884 1.00 0.00 H new ATOM 956 N GLU A 61 -13.357 -7.183 -1.339 1.00 0.00 N ATOM 957 CA GLU A 61 -12.655 -7.767 -2.447 1.00 0.00 C ATOM 958 C GLU A 61 -11.191 -7.851 -2.087 1.00 0.00 C ATOM 959 O GLU A 61 -10.545 -6.833 -1.777 1.00 0.00 O ATOM 960 CB GLU A 61 -12.803 -6.949 -3.723 1.00 0.00 C ATOM 961 CG GLU A 61 -12.143 -7.600 -4.924 1.00 0.00 C ATOM 962 CD GLU A 61 -12.702 -8.967 -5.223 1.00 0.00 C ATOM 963 OE1 GLU A 61 -13.722 -9.060 -5.936 1.00 0.00 O ATOM 964 OE2 GLU A 61 -12.138 -9.968 -4.758 1.00 0.00 O ATOM 0 H GLU A 61 -13.741 -6.253 -1.509 1.00 0.00 H new ATOM 0 HA GLU A 61 -13.080 -8.752 -2.638 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -13.862 -6.802 -3.933 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -12.369 -5.961 -3.567 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -12.273 -6.960 -5.797 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -11.071 -7.681 -4.745 1.00 0.00 H new ATOM 971 N ASP A 62 -10.676 -9.026 -2.102 1.00 0.00 N ATOM 972 CA ASP A 62 -9.298 -9.210 -1.796 1.00 0.00 C ATOM 973 C ASP A 62 -8.546 -9.324 -3.065 1.00 0.00 C ATOM 974 O ASP A 62 -8.505 -10.385 -3.700 1.00 0.00 O ATOM 975 CB ASP A 62 -9.028 -10.403 -0.899 1.00 0.00 C ATOM 976 CG ASP A 62 -7.542 -10.548 -0.602 1.00 0.00 C ATOM 977 OD1 ASP A 62 -7.032 -9.834 0.283 1.00 0.00 O ATOM 978 OD2 ASP A 62 -6.862 -11.385 -1.249 1.00 0.00 O ATOM 0 H ASP A 62 -11.187 -9.880 -2.323 1.00 0.00 H new ATOM 0 HA ASP A 62 -8.965 -8.342 -1.227 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -9.578 -10.290 0.035 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -9.395 -11.311 -1.378 1.00 0.00 H new ATOM 983 N SER A 63 -8.066 -8.227 -3.479 1.00 0.00 N ATOM 984 CA SER A 63 -7.291 -8.101 -4.647 1.00 0.00 C ATOM 985 C SER A 63 -6.204 -7.097 -4.309 1.00 0.00 C ATOM 986 O SER A 63 -6.295 -6.460 -3.239 1.00 0.00 O ATOM 987 CB SER A 63 -8.207 -7.554 -5.755 1.00 0.00 C ATOM 988 OG SER A 63 -8.742 -6.283 -5.385 1.00 0.00 O ATOM 0 H SER A 63 -8.207 -7.343 -2.990 1.00 0.00 H new ATOM 0 HA SER A 63 -6.855 -9.041 -4.984 1.00 0.00 H new ATOM 0 HB2 SER A 63 -7.646 -7.461 -6.685 1.00 0.00 H new ATOM 0 HB3 SER A 63 -9.020 -8.256 -5.942 1.00 0.00 H new ATOM 0 HG SER A 63 -9.541 -6.096 -5.921 1.00 0.00 H new ATOM 994 N PRO A 64 -5.159 -6.910 -5.160 1.00 0.00 N ATOM 995 CA PRO A 64 -4.175 -5.847 -4.944 1.00 0.00 C ATOM 996 C PRO A 64 -4.885 -4.491 -4.840 1.00 0.00 C ATOM 997 O PRO A 64 -4.449 -3.604 -4.133 1.00 0.00 O ATOM 998 CB PRO A 64 -3.271 -5.927 -6.204 1.00 0.00 C ATOM 999 CG PRO A 64 -3.386 -7.339 -6.634 1.00 0.00 C ATOM 1000 CD PRO A 64 -4.813 -7.744 -6.334 1.00 0.00 C ATOM 0 HA PRO A 64 -3.604 -5.957 -4.022 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -3.609 -5.243 -6.983 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -2.239 -5.662 -5.973 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -3.164 -7.444 -7.696 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -2.679 -7.971 -6.097 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -5.474 -7.546 -7.178 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -4.892 -8.808 -6.110 1.00 0.00 H new ATOM 1008 N GLU A 65 -6.031 -4.397 -5.501 1.00 0.00 N ATOM 1009 CA GLU A 65 -6.845 -3.207 -5.481 1.00 0.00 C ATOM 1010 C GLU A 65 -7.504 -3.039 -4.113 1.00 0.00 C ATOM 1011 O GLU A 65 -7.421 -1.978 -3.511 1.00 0.00 O ATOM 1012 CB GLU A 65 -7.910 -3.276 -6.565 1.00 0.00 C ATOM 1013 CG GLU A 65 -7.357 -3.477 -7.963 1.00 0.00 C ATOM 1014 CD GLU A 65 -8.438 -3.542 -8.989 1.00 0.00 C ATOM 1015 OE1 GLU A 65 -9.001 -2.502 -9.335 1.00 0.00 O ATOM 1016 OE2 GLU A 65 -8.754 -4.652 -9.462 1.00 0.00 O ATOM 0 H GLU A 65 -6.417 -5.153 -6.067 1.00 0.00 H new ATOM 0 HA GLU A 65 -6.204 -2.347 -5.672 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -8.595 -4.093 -6.336 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -8.494 -2.356 -6.545 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -6.677 -2.660 -8.205 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -6.773 -4.397 -7.993 1.00 0.00 H new ATOM 1023 N GLY A 66 -8.127 -4.106 -3.616 1.00 0.00 N ATOM 1024 CA GLY A 66 -8.804 -4.054 -2.319 1.00 0.00 C ATOM 1025 C GLY A 66 -7.848 -3.802 -1.162 1.00 0.00 C ATOM 1026 O GLY A 66 -8.237 -3.227 -0.152 1.00 0.00 O ATOM 0 H GLY A 66 -8.178 -5.010 -4.086 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -9.557 -3.267 -2.339 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -9.330 -4.994 -2.151 1.00 0.00 H new ATOM 1030 N ILE A 67 -6.604 -4.226 -1.315 1.00 0.00 N ATOM 1031 CA ILE A 67 -5.564 -3.958 -0.319 1.00 0.00 C ATOM 1032 C ILE A 67 -5.299 -2.448 -0.237 1.00 0.00 C ATOM 1033 O ILE A 67 -5.271 -1.855 0.850 1.00 0.00 O ATOM 1034 CB ILE A 67 -4.260 -4.725 -0.670 1.00 0.00 C ATOM 1035 CG1 ILE A 67 -4.509 -6.236 -0.558 1.00 0.00 C ATOM 1036 CG2 ILE A 67 -3.088 -4.287 0.215 1.00 0.00 C ATOM 1037 CD1 ILE A 67 -3.345 -7.090 -0.990 1.00 0.00 C ATOM 0 H ILE A 67 -6.283 -4.761 -2.122 1.00 0.00 H new ATOM 0 HA ILE A 67 -5.909 -4.308 0.654 1.00 0.00 H new ATOM 0 HB ILE A 67 -3.982 -4.486 -1.696 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -4.757 -6.476 0.476 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -5.378 -6.495 -1.162 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -2.194 -4.846 -0.062 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -2.906 -3.221 0.077 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -3.329 -4.481 1.260 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -3.605 -8.143 -0.879 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -3.109 -6.883 -2.034 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -2.478 -6.863 -0.370 1.00 0.00 H new ATOM 1049 N VAL A 68 -5.169 -1.841 -1.396 1.00 0.00 N ATOM 1050 CA VAL A 68 -4.960 -0.405 -1.529 1.00 0.00 C ATOM 1051 C VAL A 68 -6.182 0.340 -1.023 1.00 0.00 C ATOM 1052 O VAL A 68 -6.083 1.359 -0.329 1.00 0.00 O ATOM 1053 CB VAL A 68 -4.713 -0.057 -3.017 1.00 0.00 C ATOM 1054 CG1 VAL A 68 -4.599 1.444 -3.245 1.00 0.00 C ATOM 1055 CG2 VAL A 68 -3.464 -0.732 -3.465 1.00 0.00 C ATOM 0 H VAL A 68 -5.205 -2.333 -2.289 1.00 0.00 H new ATOM 0 HA VAL A 68 -4.093 -0.108 -0.939 1.00 0.00 H new ATOM 0 HB VAL A 68 -5.568 -0.406 -3.596 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -4.426 1.639 -4.303 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -5.523 1.931 -2.933 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -3.766 1.838 -2.663 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -3.278 -0.495 -4.513 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -2.626 -0.385 -2.860 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -3.572 -1.811 -3.351 1.00 0.00 H new ATOM 1065 N LYS A 69 -7.317 -0.205 -1.345 1.00 0.00 N ATOM 1066 CA LYS A 69 -8.581 0.351 -0.988 1.00 0.00 C ATOM 1067 C LYS A 69 -8.780 0.289 0.547 1.00 0.00 C ATOM 1068 O LYS A 69 -9.361 1.204 1.140 1.00 0.00 O ATOM 1069 CB LYS A 69 -9.672 -0.401 -1.773 1.00 0.00 C ATOM 1070 CG LYS A 69 -10.978 0.339 -1.949 1.00 0.00 C ATOM 1071 CD LYS A 69 -11.785 0.399 -0.688 1.00 0.00 C ATOM 1072 CE LYS A 69 -12.993 1.295 -0.868 1.00 0.00 C ATOM 1073 NZ LYS A 69 -13.899 0.810 -1.926 1.00 0.00 N ATOM 0 H LYS A 69 -7.387 -1.072 -1.878 1.00 0.00 H new ATOM 0 HA LYS A 69 -8.638 1.407 -1.253 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -9.279 -0.648 -2.759 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -9.875 -1.344 -1.265 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -10.773 1.353 -2.292 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -11.565 -0.148 -2.728 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -12.108 -0.604 -0.409 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -11.167 0.773 0.128 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -13.539 1.358 0.073 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -12.661 2.304 -1.112 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -14.786 1.352 -1.899 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -13.446 0.933 -2.854 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -14.104 -0.198 -1.772 1.00 0.00 H new ATOM 1087 N GLU A 70 -8.273 -0.767 1.170 1.00 0.00 N ATOM 1088 CA GLU A 70 -8.335 -0.925 2.623 1.00 0.00 C ATOM 1089 C GLU A 70 -7.573 0.234 3.274 1.00 0.00 C ATOM 1090 O GLU A 70 -8.105 0.944 4.152 1.00 0.00 O ATOM 1091 CB GLU A 70 -7.689 -2.253 3.031 1.00 0.00 C ATOM 1092 CG GLU A 70 -7.904 -2.633 4.483 1.00 0.00 C ATOM 1093 CD GLU A 70 -9.339 -2.949 4.770 1.00 0.00 C ATOM 1094 OE1 GLU A 70 -9.780 -4.067 4.436 1.00 0.00 O ATOM 1095 OE2 GLU A 70 -10.065 -2.095 5.300 1.00 0.00 O ATOM 0 H GLU A 70 -7.809 -1.537 0.688 1.00 0.00 H new ATOM 0 HA GLU A 70 -9.375 -0.922 2.950 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -8.086 -3.046 2.398 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -6.618 -2.197 2.837 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -7.286 -3.497 4.728 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -7.577 -1.815 5.125 1.00 0.00 H new ATOM 1102 N ILE A 71 -6.340 0.427 2.799 1.00 0.00 N ATOM 1103 CA ILE A 71 -5.471 1.510 3.218 1.00 0.00 C ATOM 1104 C ILE A 71 -6.120 2.868 3.006 1.00 0.00 C ATOM 1105 O ILE A 71 -6.042 3.750 3.870 1.00 0.00 O ATOM 1106 CB ILE A 71 -4.111 1.423 2.465 1.00 0.00 C ATOM 1107 CG1 ILE A 71 -3.246 0.398 3.153 1.00 0.00 C ATOM 1108 CG2 ILE A 71 -3.384 2.770 2.392 1.00 0.00 C ATOM 1109 CD1 ILE A 71 -2.022 0.024 2.394 1.00 0.00 C ATOM 0 H ILE A 71 -5.917 -0.182 2.099 1.00 0.00 H new ATOM 0 HA ILE A 71 -5.292 1.403 4.288 1.00 0.00 H new ATOM 0 HB ILE A 71 -4.313 1.129 1.435 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -2.951 0.784 4.129 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -3.838 -0.500 3.331 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -2.443 2.647 1.856 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -4.009 3.493 1.867 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -3.183 3.130 3.401 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -1.456 -0.717 2.958 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -2.306 -0.394 1.428 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -1.406 0.909 2.238 1.00 0.00 H new ATOM 1121 N LYS A 72 -6.755 3.036 1.866 1.00 0.00 N ATOM 1122 CA LYS A 72 -7.378 4.278 1.527 1.00 0.00 C ATOM 1123 C LYS A 72 -8.514 4.620 2.490 1.00 0.00 C ATOM 1124 O LYS A 72 -8.469 5.650 3.122 1.00 0.00 O ATOM 1125 CB LYS A 72 -7.802 4.287 0.040 1.00 0.00 C ATOM 1126 CG LYS A 72 -9.279 4.103 -0.292 1.00 0.00 C ATOM 1127 CD LYS A 72 -9.513 4.005 -1.795 1.00 0.00 C ATOM 1128 CE LYS A 72 -9.001 5.235 -2.538 1.00 0.00 C ATOM 1129 NZ LYS A 72 -9.699 6.480 -2.157 1.00 0.00 N ATOM 0 H LYS A 72 -6.849 2.311 1.155 1.00 0.00 H new ATOM 0 HA LYS A 72 -6.648 5.079 1.645 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -7.480 5.235 -0.392 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -7.246 3.499 -0.469 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -9.651 3.201 0.193 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -9.849 4.940 0.111 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -9.015 3.116 -2.181 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -10.579 3.883 -1.988 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -7.935 5.350 -2.344 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -9.114 5.077 -3.610 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -9.329 7.272 -2.721 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -10.718 6.375 -2.335 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -9.542 6.671 -1.147 1.00 0.00 H new ATOM 1143 N GLU A 73 -9.453 3.702 2.672 1.00 0.00 N ATOM 1144 CA GLU A 73 -10.623 3.944 3.519 1.00 0.00 C ATOM 1145 C GLU A 73 -10.273 4.161 4.964 1.00 0.00 C ATOM 1146 O GLU A 73 -10.900 4.968 5.638 1.00 0.00 O ATOM 1147 CB GLU A 73 -11.640 2.829 3.388 1.00 0.00 C ATOM 1148 CG GLU A 73 -12.330 2.813 2.058 1.00 0.00 C ATOM 1149 CD GLU A 73 -13.117 4.071 1.812 1.00 0.00 C ATOM 1150 OE1 GLU A 73 -14.281 4.150 2.249 1.00 0.00 O ATOM 1151 OE2 GLU A 73 -12.602 5.004 1.195 1.00 0.00 O ATOM 0 H GLU A 73 -9.431 2.776 2.244 1.00 0.00 H new ATOM 0 HA GLU A 73 -11.065 4.872 3.155 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -11.142 1.872 3.543 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -12.386 2.932 4.176 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -11.590 2.689 1.268 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -12.998 1.953 2.007 1.00 0.00 H new ATOM 1158 N TRP A 74 -9.267 3.465 5.424 1.00 0.00 N ATOM 1159 CA TRP A 74 -8.839 3.566 6.796 1.00 0.00 C ATOM 1160 C TRP A 74 -8.282 4.961 7.051 1.00 0.00 C ATOM 1161 O TRP A 74 -8.725 5.669 7.955 1.00 0.00 O ATOM 1162 CB TRP A 74 -7.793 2.498 7.064 1.00 0.00 C ATOM 1163 CG TRP A 74 -7.329 2.393 8.478 1.00 0.00 C ATOM 1164 CD1 TRP A 74 -7.964 1.764 9.504 1.00 0.00 C ATOM 1165 CD2 TRP A 74 -6.109 2.900 9.011 1.00 0.00 C ATOM 1166 NE1 TRP A 74 -7.202 1.832 10.636 1.00 0.00 N ATOM 1167 CE2 TRP A 74 -6.059 2.524 10.361 1.00 0.00 C ATOM 1168 CE3 TRP A 74 -5.052 3.631 8.470 1.00 0.00 C ATOM 1169 CZ2 TRP A 74 -4.992 2.846 11.177 1.00 0.00 C ATOM 1170 CZ3 TRP A 74 -3.991 3.959 9.275 1.00 0.00 C ATOM 1171 CH2 TRP A 74 -3.966 3.560 10.618 1.00 0.00 C ATOM 0 H TRP A 74 -8.722 2.813 4.860 1.00 0.00 H new ATOM 0 HA TRP A 74 -9.680 3.408 7.472 1.00 0.00 H new ATOM 0 HB2 TRP A 74 -8.199 1.533 6.761 1.00 0.00 H new ATOM 0 HB3 TRP A 74 -6.928 2.694 6.430 1.00 0.00 H new ATOM 0 HD1 TRP A 74 -8.928 1.282 9.434 1.00 0.00 H new ATOM 0 HE1 TRP A 74 -7.448 1.430 11.541 1.00 0.00 H new ATOM 0 HE3 TRP A 74 -5.068 3.934 7.434 1.00 0.00 H new ATOM 0 HZ2 TRP A 74 -4.968 2.547 12.214 1.00 0.00 H new ATOM 0 HZ3 TRP A 74 -3.168 4.529 8.870 1.00 0.00 H new ATOM 0 HH2 TRP A 74 -3.115 3.823 11.229 1.00 0.00 H new ATOM 1182 N ARG A 75 -7.370 5.384 6.203 1.00 0.00 N ATOM 1183 CA ARG A 75 -6.743 6.682 6.349 1.00 0.00 C ATOM 1184 C ARG A 75 -7.745 7.785 6.090 1.00 0.00 C ATOM 1185 O ARG A 75 -7.745 8.802 6.780 1.00 0.00 O ATOM 1186 CB ARG A 75 -5.579 6.811 5.415 1.00 0.00 C ATOM 1187 CG ARG A 75 -4.503 5.786 5.660 1.00 0.00 C ATOM 1188 CD ARG A 75 -3.437 5.907 4.628 1.00 0.00 C ATOM 1189 NE ARG A 75 -4.024 5.903 3.285 1.00 0.00 N ATOM 1190 CZ ARG A 75 -3.633 6.691 2.275 1.00 0.00 C ATOM 1191 NH1 ARG A 75 -2.579 7.488 2.414 1.00 0.00 N ATOM 1192 NH2 ARG A 75 -4.313 6.702 1.143 1.00 0.00 N ATOM 0 H ARG A 75 -7.044 4.845 5.401 1.00 0.00 H new ATOM 0 HA ARG A 75 -6.379 6.774 7.372 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -5.933 6.717 4.389 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -5.151 7.808 5.515 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -4.076 5.926 6.653 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -4.932 4.784 5.635 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -2.874 6.828 4.783 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -2.732 5.082 4.726 1.00 0.00 H new ATOM 0 HE ARG A 75 -4.788 5.251 3.106 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -2.063 7.502 3.294 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -2.286 8.086 1.641 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -5.137 6.110 1.037 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -4.014 7.303 0.374 1.00 0.00 H new ATOM 1206 N ALA A 76 -8.617 7.551 5.128 1.00 0.00 N ATOM 1207 CA ALA A 76 -9.676 8.476 4.760 1.00 0.00 C ATOM 1208 C ALA A 76 -10.628 8.713 5.933 1.00 0.00 C ATOM 1209 O ALA A 76 -11.133 9.815 6.125 1.00 0.00 O ATOM 1210 CB ALA A 76 -10.445 7.934 3.547 1.00 0.00 C ATOM 0 H ALA A 76 -8.611 6.698 4.569 1.00 0.00 H new ATOM 0 HA ALA A 76 -9.224 9.432 4.496 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -11.237 8.632 3.277 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -9.762 7.817 2.706 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -10.883 6.967 3.796 1.00 0.00 H new ATOM 1216 N ALA A 77 -10.822 7.688 6.744 1.00 0.00 N ATOM 1217 CA ALA A 77 -11.738 7.746 7.857 1.00 0.00 C ATOM 1218 C ALA A 77 -11.059 8.375 9.038 1.00 0.00 C ATOM 1219 O ALA A 77 -11.681 9.030 9.870 1.00 0.00 O ATOM 1220 CB ALA A 77 -12.225 6.362 8.202 1.00 0.00 C ATOM 0 H ALA A 77 -10.345 6.792 6.644 1.00 0.00 H new ATOM 0 HA ALA A 77 -12.600 8.354 7.581 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -12.916 6.419 9.043 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -12.736 5.931 7.341 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -11.376 5.734 8.471 1.00 0.00 H new ATOM 1226 N ASN A 78 -9.768 8.160 9.099 1.00 0.00 N ATOM 1227 CA ASN A 78 -8.935 8.670 10.153 1.00 0.00 C ATOM 1228 C ASN A 78 -8.588 10.146 9.944 1.00 0.00 C ATOM 1229 O ASN A 78 -8.190 10.830 10.880 1.00 0.00 O ATOM 1230 CB ASN A 78 -7.635 7.863 10.250 1.00 0.00 C ATOM 1231 CG ASN A 78 -7.713 6.510 10.970 1.00 0.00 C ATOM 1232 OD1 ASN A 78 -6.730 6.097 11.591 1.00 0.00 O ATOM 1233 ND2 ASN A 78 -8.817 5.805 10.871 1.00 0.00 N ATOM 0 H ASN A 78 -9.260 7.615 8.403 1.00 0.00 H new ATOM 0 HA ASN A 78 -9.503 8.575 11.079 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -7.267 7.689 9.239 1.00 0.00 H new ATOM 0 HB3 ASN A 78 -6.891 8.476 10.759 1.00 0.00 H new ATOM 0 HD21 ASN A 78 -8.878 4.889 11.315 1.00 0.00 H new ATOM 0 HD22 ASN A 78 -9.613 6.174 10.351 1.00 0.00 H new ATOM 1240 N GLY A 79 -8.721 10.623 8.724 1.00 0.00 N ATOM 1241 CA GLY A 79 -8.360 11.998 8.427 1.00 0.00 C ATOM 1242 C GLY A 79 -6.874 12.119 8.164 1.00 0.00 C ATOM 1243 O GLY A 79 -6.239 13.136 8.467 1.00 0.00 O ATOM 0 H GLY A 79 -9.072 10.089 7.929 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -8.917 12.345 7.557 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -8.640 12.641 9.262 1.00 0.00 H new ATOM 1247 N LYS A 80 -6.324 11.072 7.617 1.00 0.00 N ATOM 1248 CA LYS A 80 -4.934 10.978 7.305 1.00 0.00 C ATOM 1249 C LYS A 80 -4.693 11.348 5.846 1.00 0.00 C ATOM 1250 O LYS A 80 -5.617 11.815 5.156 1.00 0.00 O ATOM 1251 CB LYS A 80 -4.480 9.560 7.598 1.00 0.00 C ATOM 1252 CG LYS A 80 -4.306 9.253 9.082 1.00 0.00 C ATOM 1253 CD LYS A 80 -4.128 7.764 9.304 1.00 0.00 C ATOM 1254 CE LYS A 80 -3.626 7.429 10.707 1.00 0.00 C ATOM 1255 NZ LYS A 80 -4.544 7.827 11.800 1.00 0.00 N ATOM 0 H LYS A 80 -6.852 10.235 7.370 1.00 0.00 H new ATOM 0 HA LYS A 80 -4.358 11.676 7.913 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -5.206 8.864 7.177 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -3.533 9.381 7.088 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -3.440 9.790 9.470 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -5.175 9.607 9.636 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -5.079 7.260 9.134 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -3.424 7.374 8.569 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -3.451 6.355 10.770 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -2.664 7.918 10.861 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -4.067 7.705 12.716 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -4.814 8.824 11.681 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -5.396 7.232 11.772 1.00 0.00 H new ATOM 1269 N SER A 81 -3.470 11.170 5.391 1.00 0.00 N ATOM 1270 CA SER A 81 -3.068 11.436 4.041 1.00 0.00 C ATOM 1271 C SER A 81 -3.858 10.557 3.029 1.00 0.00 C ATOM 1272 O SER A 81 -4.566 9.617 3.427 1.00 0.00 O ATOM 1273 CB SER A 81 -1.597 11.123 3.981 1.00 0.00 C ATOM 1274 OG SER A 81 -0.879 11.866 4.962 1.00 0.00 O ATOM 0 H SER A 81 -2.710 10.825 5.977 1.00 0.00 H new ATOM 0 HA SER A 81 -3.272 12.472 3.769 1.00 0.00 H new ATOM 0 HB2 SER A 81 -1.441 10.056 4.141 1.00 0.00 H new ATOM 0 HB3 SER A 81 -1.212 11.356 2.988 1.00 0.00 H new ATOM 0 HG SER A 81 0.074 11.646 4.906 1.00 0.00 H new ATOM 1280 N GLY A 82 -3.721 10.835 1.748 1.00 0.00 N ATOM 1281 CA GLY A 82 -4.470 10.094 0.756 1.00 0.00 C ATOM 1282 C GLY A 82 -3.584 9.618 -0.349 1.00 0.00 C ATOM 1283 O GLY A 82 -2.444 9.230 -0.090 1.00 0.00 O ATOM 0 H GLY A 82 -3.107 11.558 1.374 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -4.957 9.241 1.228 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -5.259 10.725 0.346 1.00 0.00 H new ATOM 1287 N PHE A 83 -4.123 9.544 -1.535 1.00 0.00 N ATOM 1288 CA PHE A 83 -3.379 9.295 -2.711 1.00 0.00 C ATOM 1289 C PHE A 83 -3.645 10.445 -3.640 1.00 0.00 C ATOM 1290 O PHE A 83 -4.536 11.262 -3.383 1.00 0.00 O ATOM 1291 CB PHE A 83 -3.820 8.018 -3.416 1.00 0.00 C ATOM 1292 CG PHE A 83 -3.755 6.758 -2.591 1.00 0.00 C ATOM 1293 CD1 PHE A 83 -2.539 6.327 -2.111 1.00 0.00 C ATOM 1294 CD2 PHE A 83 -4.896 5.995 -2.302 1.00 0.00 C ATOM 1295 CE1 PHE A 83 -2.440 5.183 -1.366 1.00 0.00 C ATOM 1296 CE2 PHE A 83 -4.785 4.841 -1.556 1.00 0.00 C ATOM 1297 CZ PHE A 83 -3.558 4.435 -1.088 1.00 0.00 C ATOM 0 H PHE A 83 -5.123 9.661 -1.701 1.00 0.00 H new ATOM 0 HA PHE A 83 -2.327 9.185 -2.447 1.00 0.00 H new ATOM 0 HB2 PHE A 83 -4.845 8.151 -3.761 1.00 0.00 H new ATOM 0 HB3 PHE A 83 -3.200 7.882 -4.302 1.00 0.00 H new ATOM 0 HD1 PHE A 83 -1.649 6.900 -2.326 1.00 0.00 H new ATOM 0 HD2 PHE A 83 -5.863 6.312 -2.664 1.00 0.00 H new ATOM 0 HE1 PHE A 83 -1.477 4.866 -0.994 1.00 0.00 H new ATOM 0 HE2 PHE A 83 -5.665 4.254 -1.339 1.00 0.00 H new ATOM 0 HZ PHE A 83 -3.473 3.531 -0.504 1.00 0.00 H new ATOM 1307 N LYS A 84 -2.910 10.518 -4.683 1.00 0.00 N ATOM 1308 CA LYS A 84 -3.108 11.516 -5.667 1.00 0.00 C ATOM 1309 C LYS A 84 -3.962 10.944 -6.782 1.00 0.00 C ATOM 1310 O LYS A 84 -3.866 9.761 -7.103 1.00 0.00 O ATOM 1311 CB LYS A 84 -1.752 11.971 -6.180 1.00 0.00 C ATOM 1312 CG LYS A 84 -1.758 13.131 -7.170 1.00 0.00 C ATOM 1313 CD LYS A 84 -0.337 13.630 -7.428 1.00 0.00 C ATOM 1314 CE LYS A 84 0.513 12.606 -8.167 1.00 0.00 C ATOM 1315 NZ LYS A 84 1.939 13.005 -8.258 1.00 0.00 N ATOM 0 H LYS A 84 -2.142 9.878 -4.883 1.00 0.00 H new ATOM 0 HA LYS A 84 -3.626 12.380 -5.250 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -1.140 12.255 -5.324 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -1.262 11.120 -6.653 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -2.212 12.812 -8.108 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -2.369 13.945 -6.780 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -0.378 14.551 -8.009 1.00 0.00 H new ATOM 0 HD3 LYS A 84 0.138 13.874 -6.478 1.00 0.00 H new ATOM 0 HE2 LYS A 84 0.441 11.645 -7.658 1.00 0.00 H new ATOM 0 HE3 LYS A 84 0.114 12.466 -9.172 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 2.406 12.456 -9.008 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 2.002 14.019 -8.481 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 2.410 12.820 -7.349 1.00 0.00 H new ATOM 1329 N GLN A 85 -4.818 11.743 -7.327 1.00 0.00 N ATOM 1330 CA GLN A 85 -5.620 11.305 -8.426 1.00 0.00 C ATOM 1331 C GLN A 85 -4.902 11.473 -9.752 1.00 0.00 C ATOM 1332 O GLN A 85 -4.578 12.570 -10.177 1.00 0.00 O ATOM 1333 CB GLN A 85 -7.075 11.849 -8.407 1.00 0.00 C ATOM 1334 CG GLN A 85 -7.299 13.327 -8.030 1.00 0.00 C ATOM 1335 CD GLN A 85 -6.647 14.345 -8.950 1.00 0.00 C ATOM 1336 OE1 GLN A 85 -7.222 14.729 -9.966 1.00 0.00 O ATOM 1337 NE2 GLN A 85 -5.510 14.868 -8.552 1.00 0.00 N ATOM 0 H GLN A 85 -4.982 12.705 -7.030 1.00 0.00 H new ATOM 0 HA GLN A 85 -5.757 10.231 -8.296 1.00 0.00 H new ATOM 0 HB2 GLN A 85 -7.502 11.690 -9.397 1.00 0.00 H new ATOM 0 HB3 GLN A 85 -7.649 11.238 -7.711 1.00 0.00 H new ATOM 0 HG2 GLN A 85 -8.372 13.519 -8.007 1.00 0.00 H new ATOM 0 HG3 GLN A 85 -6.925 13.486 -7.019 1.00 0.00 H new ATOM 0 HE21 GLN A 85 -5.060 14.525 -7.703 1.00 0.00 H new ATOM 0 HE22 GLN A 85 -5.077 15.617 -9.092 1.00 0.00 H new ATOM 1346 N GLY A 86 -4.600 10.377 -10.343 1.00 0.00 N ATOM 1347 CA GLY A 86 -3.896 10.360 -11.591 1.00 0.00 C ATOM 1348 C GLY A 86 -4.014 9.014 -12.214 1.00 0.00 C ATOM 1349 O GLY A 86 -3.106 8.578 -12.948 1.00 0.00 O ATOM 1350 OXT GLY A 86 -5.039 8.339 -11.952 1.00 0.00 O ATOM 0 H GLY A 86 -4.832 9.453 -9.979 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -4.303 11.118 -12.260 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -2.846 10.607 -11.431 1.00 0.00 H new TER 1354 GLY A 86