USER MOD reduce.3.24.130724 H: found=0, std=0, add=960, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 960 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 106 THR OG1 : rot -91:sc= 0.359 USER MOD Set 1.2: A 115 THR OG1 : rot 50:sc= -1.28! USER MOD Set 2.1: A 18 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.1: A 49 ASN : amide:sc= -0.72 K(o=-5.3,f=-5.9!) USER MOD Set 3.2: A 53 GLN : amide:sc= -1.81! K(o=-5.3!,f=-4.3) USER MOD Set 3.3: A 65 MET CE :methyl -161:sc= -2.76 (180deg=-5.01!) USER MOD Set 4.1: A 44 TYR OH : rot 156:sc= 1.05 USER MOD Set 4.2: A 114 CYS SG : rot 44:sc= -0.0763 USER MOD Set 5.1: A 37 THR OG1 : rot 180:sc= -2.05 USER MOD Set 5.2: A 40 GLN : amide:sc= -0.365 X(o=-2.4,f=-2.8) USER MOD Single : A 1 GLY N :NH3+ 171:sc= 0 (180deg=-0.0466) USER MOD Single : A 3 THR OG1 : rot 180:sc= -1.3! USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 GLN : amide:sc= -0.198 K(o=-0.2,f=-2.7!) USER MOD Single : A 23 CYS SG : rot -83:sc= -1.75 USER MOD Single : A 28 SER OG : rot 136:sc= -3.3! USER MOD Single : A 30 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 31 ASN : amide:sc= -0.397 X(o=-0.4,f=0) USER MOD Single : A 38 SER OG : rot 180:sc= 0.0663 USER MOD Single : A 43 GLN : amide:sc= -0.425 X(o=-0.42,f=-0.74) USER MOD Single : A 46 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 61 SER OG : rot -55:sc= 0.971 USER MOD Single : A 75 GLN : amide:sc= 0 X(o=0,f=-0.024) USER MOD Single : A 78 THR OG1 : rot 180:sc= -0.274 USER MOD Single : A 92 MET CE :methyl 164:sc= -0.0557 (180deg=-0.509) USER MOD Single : A 94 HIS : no HD1:sc= -0.138 X(o=-0.14,f=0) USER MOD Single : A 96 LYS NZ :NH3+ 179:sc= -0.374 (180deg=-0.374) USER MOD Single : A 105 THR OG1 : rot 180:sc= -0.424 USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 112 SER OG : rot 39:sc= 0.704 USER MOD Single : A 117 CYS SG : rot -130:sc= -4.75! USER MOD Single : A 121 LYS NZ :NH3+ -102:sc= -0.0753 (180deg=-1.6!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -7.052 18.486 -1.225 1.00 0.00 N ATOM 2 CA GLY A 1 -8.304 18.947 -1.888 1.00 0.00 C ATOM 3 C GLY A 1 -9.154 19.816 -0.984 1.00 0.00 C ATOM 4 O GLY A 1 -8.631 20.606 -0.199 1.00 0.00 O ATOM 0 H1 GLY A 1 -6.583 17.777 -1.824 1.00 0.00 H new ATOM 0 H2 GLY A 1 -6.415 19.296 -1.084 1.00 0.00 H new ATOM 0 H3 GLY A 1 -7.283 18.063 -0.303 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -8.050 19.505 -2.789 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -8.884 18.080 -2.204 1.00 0.00 H new ATOM 10 N LEU A 2 -10.470 19.670 -1.095 1.00 0.00 N ATOM 11 CA LEU A 2 -11.399 20.449 -0.281 1.00 0.00 C ATOM 12 C LEU A 2 -12.469 19.554 0.331 1.00 0.00 C ATOM 13 O LEU A 2 -13.318 19.012 -0.374 1.00 0.00 O ATOM 14 CB LEU A 2 -12.055 21.550 -1.120 1.00 0.00 C ATOM 15 CG LEU A 2 -12.243 21.218 -2.604 1.00 0.00 C ATOM 16 CD1 LEU A 2 -13.329 20.169 -2.784 1.00 0.00 C ATOM 17 CD2 LEU A 2 -12.579 22.476 -3.391 1.00 0.00 C ATOM 0 H LEU A 2 -10.918 19.020 -1.740 1.00 0.00 H new ATOM 0 HA LEU A 2 -10.831 20.911 0.527 1.00 0.00 H new ATOM 0 HB2 LEU A 2 -13.030 21.780 -0.690 1.00 0.00 H new ATOM 0 HB3 LEU A 2 -11.450 22.453 -1.040 1.00 0.00 H new ATOM 0 HG LEU A 2 -11.307 20.811 -2.987 1.00 0.00 H new ATOM 0 HD11 LEU A 2 -13.448 19.947 -3.844 1.00 0.00 H new ATOM 0 HD12 LEU A 2 -13.049 19.260 -2.252 1.00 0.00 H new ATOM 0 HD13 LEU A 2 -14.270 20.547 -2.385 1.00 0.00 H new ATOM 0 HD21 LEU A 2 -12.709 22.223 -4.443 1.00 0.00 H new ATOM 0 HD22 LEU A 2 -13.501 22.911 -3.005 1.00 0.00 H new ATOM 0 HD23 LEU A 2 -11.768 23.197 -3.289 1.00 0.00 H new ATOM 29 N THR A 3 -12.424 19.410 1.652 1.00 0.00 N ATOM 30 CA THR A 3 -13.390 18.585 2.372 1.00 0.00 C ATOM 31 C THR A 3 -13.225 17.107 2.023 1.00 0.00 C ATOM 32 O THR A 3 -12.884 16.294 2.880 1.00 0.00 O ATOM 33 CB THR A 3 -14.823 19.042 2.074 1.00 0.00 C ATOM 34 OG1 THR A 3 -14.830 20.237 1.313 1.00 0.00 O ATOM 35 CG2 THR A 3 -15.634 19.297 3.325 1.00 0.00 C ATOM 0 H THR A 3 -11.726 19.856 2.248 1.00 0.00 H new ATOM 0 HA THR A 3 -13.198 18.707 3.438 1.00 0.00 H new ATOM 0 HB THR A 3 -15.275 18.221 1.517 1.00 0.00 H new ATOM 0 HG1 THR A 3 -15.755 20.506 1.135 1.00 0.00 H new ATOM 0 HG21 THR A 3 -16.638 19.618 3.048 1.00 0.00 H new ATOM 0 HG22 THR A 3 -15.694 18.381 3.913 1.00 0.00 H new ATOM 0 HG23 THR A 3 -15.154 20.077 3.917 1.00 0.00 H new ATOM 43 N ALA A 4 -13.471 16.767 0.759 1.00 0.00 N ATOM 44 CA ALA A 4 -13.352 15.388 0.295 1.00 0.00 C ATOM 45 C ALA A 4 -12.058 14.742 0.786 1.00 0.00 C ATOM 46 O ALA A 4 -11.998 13.530 0.991 1.00 0.00 O ATOM 47 CB ALA A 4 -13.421 15.338 -1.224 1.00 0.00 C ATOM 0 H ALA A 4 -13.754 17.430 0.037 1.00 0.00 H new ATOM 0 HA ALA A 4 -14.186 14.822 0.711 1.00 0.00 H new ATOM 0 HB1 ALA A 4 -13.331 14.304 -1.558 1.00 0.00 H new ATOM 0 HB2 ALA A 4 -14.375 15.746 -1.559 1.00 0.00 H new ATOM 0 HB3 ALA A 4 -12.607 15.928 -1.645 1.00 0.00 H new ATOM 53 N THR A 5 -11.028 15.559 0.976 1.00 0.00 N ATOM 54 CA THR A 5 -9.738 15.066 1.445 1.00 0.00 C ATOM 55 C THR A 5 -9.877 14.404 2.813 1.00 0.00 C ATOM 56 O THR A 5 -9.171 13.446 3.124 1.00 0.00 O ATOM 57 CB THR A 5 -8.727 16.211 1.519 1.00 0.00 C ATOM 58 OG1 THR A 5 -7.508 15.769 2.090 1.00 0.00 O ATOM 59 CG2 THR A 5 -9.215 17.389 2.335 1.00 0.00 C ATOM 0 H THR A 5 -11.061 16.565 0.813 1.00 0.00 H new ATOM 0 HA THR A 5 -9.379 14.321 0.734 1.00 0.00 H new ATOM 0 HB THR A 5 -8.585 16.537 0.489 1.00 0.00 H new ATOM 0 HG1 THR A 5 -6.874 16.516 2.127 1.00 0.00 H new ATOM 0 HG21 THR A 5 -8.450 18.165 2.347 1.00 0.00 H new ATOM 0 HG22 THR A 5 -10.128 17.786 1.891 1.00 0.00 H new ATOM 0 HG23 THR A 5 -9.419 17.065 3.356 1.00 0.00 H new ATOM 67 N LEU A 6 -10.793 14.923 3.624 1.00 0.00 N ATOM 68 CA LEU A 6 -11.029 14.384 4.959 1.00 0.00 C ATOM 69 C LEU A 6 -9.775 14.484 5.819 1.00 0.00 C ATOM 70 O LEU A 6 -8.776 13.812 5.556 1.00 0.00 O ATOM 71 CB LEU A 6 -11.489 12.926 4.867 1.00 0.00 C ATOM 72 CG LEU A 6 -13.001 12.717 4.976 1.00 0.00 C ATOM 73 CD1 LEU A 6 -13.445 11.561 4.093 1.00 0.00 C ATOM 74 CD2 LEU A 6 -13.401 12.468 6.423 1.00 0.00 C ATOM 0 H LEU A 6 -11.385 15.717 3.380 1.00 0.00 H new ATOM 0 HA LEU A 6 -11.813 14.976 5.430 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -11.148 12.512 3.918 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -11.001 12.356 5.657 1.00 0.00 H new ATOM 0 HG LEU A 6 -13.500 13.623 4.632 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -14.523 11.427 4.183 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -13.192 11.778 3.055 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -12.939 10.648 4.407 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -14.479 12.321 6.482 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -12.893 11.577 6.793 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -13.118 13.327 7.032 1.00 0.00 H new ATOM 86 N ALA A 7 -9.832 15.328 6.847 1.00 0.00 N ATOM 87 CA ALA A 7 -8.704 15.522 7.746 1.00 0.00 C ATOM 88 C ALA A 7 -7.645 16.397 7.095 1.00 0.00 C ATOM 89 O ALA A 7 -7.292 16.203 5.933 1.00 0.00 O ATOM 90 CB ALA A 7 -8.108 14.184 8.167 1.00 0.00 C ATOM 0 H ALA A 7 -10.652 15.889 7.076 1.00 0.00 H new ATOM 0 HA ALA A 7 -9.067 16.028 8.640 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -7.267 14.356 8.838 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -8.867 13.593 8.680 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -7.764 13.645 7.284 1.00 0.00 H new ATOM 96 N ALA A 8 -7.143 17.360 7.853 1.00 0.00 N ATOM 97 CA ALA A 8 -6.126 18.266 7.354 1.00 0.00 C ATOM 98 C ALA A 8 -4.775 17.568 7.307 1.00 0.00 C ATOM 99 O ALA A 8 -3.897 17.825 8.130 1.00 0.00 O ATOM 100 CB ALA A 8 -6.071 19.508 8.223 1.00 0.00 C ATOM 0 H ALA A 8 -7.426 17.532 8.818 1.00 0.00 H new ATOM 0 HA ALA A 8 -6.382 18.569 6.339 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -5.305 20.184 7.843 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -7.039 20.009 8.204 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -5.829 19.225 9.247 1.00 0.00 H new ATOM 106 N LEU A 9 -4.627 16.669 6.341 1.00 0.00 N ATOM 107 CA LEU A 9 -3.396 15.909 6.179 1.00 0.00 C ATOM 108 C LEU A 9 -2.282 16.781 5.611 1.00 0.00 C ATOM 109 O LEU A 9 -2.526 17.661 4.785 1.00 0.00 O ATOM 110 CB LEU A 9 -3.640 14.702 5.270 1.00 0.00 C ATOM 111 CG LEU A 9 -4.956 13.960 5.516 1.00 0.00 C ATOM 112 CD1 LEU A 9 -5.411 13.242 4.257 1.00 0.00 C ATOM 113 CD2 LEU A 9 -4.806 12.979 6.668 1.00 0.00 C ATOM 0 H LEU A 9 -5.349 16.449 5.655 1.00 0.00 H new ATOM 0 HA LEU A 9 -3.081 15.558 7.162 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -3.618 15.037 4.233 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -2.816 14.000 5.395 1.00 0.00 H new ATOM 0 HG LEU A 9 -5.718 14.692 5.784 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -6.348 12.721 4.454 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -5.560 13.968 3.458 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -4.652 12.521 3.955 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -5.751 12.460 6.829 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -4.029 12.253 6.429 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -4.530 13.520 7.573 1.00 0.00 H new ATOM 125 N THR A 10 -1.057 16.530 6.062 1.00 0.00 N ATOM 126 CA THR A 10 0.101 17.290 5.603 1.00 0.00 C ATOM 127 C THR A 10 0.863 16.527 4.525 1.00 0.00 C ATOM 128 O THR A 10 0.473 15.427 4.135 1.00 0.00 O ATOM 129 CB THR A 10 1.029 17.600 6.779 1.00 0.00 C ATOM 130 OG1 THR A 10 1.454 16.405 7.410 1.00 0.00 O ATOM 131 CG2 THR A 10 0.388 18.474 7.835 1.00 0.00 C ATOM 0 H THR A 10 -0.840 15.805 6.746 1.00 0.00 H new ATOM 0 HA THR A 10 -0.256 18.226 5.173 1.00 0.00 H new ATOM 0 HB THR A 10 1.871 18.141 6.347 1.00 0.00 H new ATOM 0 HG1 THR A 10 2.048 16.624 8.158 1.00 0.00 H new ATOM 0 HG21 THR A 10 1.101 18.655 8.640 1.00 0.00 H new ATOM 0 HG22 THR A 10 0.094 19.425 7.391 1.00 0.00 H new ATOM 0 HG23 THR A 10 -0.493 17.973 8.236 1.00 0.00 H new ATOM 139 N ASP A 11 1.955 17.119 4.048 1.00 0.00 N ATOM 140 CA ASP A 11 2.777 16.498 3.014 1.00 0.00 C ATOM 141 C ASP A 11 3.176 15.078 3.409 1.00 0.00 C ATOM 142 O ASP A 11 3.369 14.216 2.551 1.00 0.00 O ATOM 143 CB ASP A 11 4.029 17.338 2.758 1.00 0.00 C ATOM 144 CG ASP A 11 3.709 18.683 2.137 1.00 0.00 C ATOM 145 OD1 ASP A 11 3.115 18.703 1.037 1.00 0.00 O ATOM 146 OD2 ASP A 11 4.050 19.717 2.749 1.00 0.00 O ATOM 0 H ASP A 11 2.291 18.029 4.362 1.00 0.00 H new ATOM 0 HA ASP A 11 2.186 16.447 2.100 1.00 0.00 H new ATOM 0 HB2 ASP A 11 4.558 17.492 3.699 1.00 0.00 H new ATOM 0 HB3 ASP A 11 4.703 16.789 2.100 1.00 0.00 H new ATOM 151 N ASP A 12 3.298 14.844 4.711 1.00 0.00 N ATOM 152 CA ASP A 12 3.672 13.529 5.221 1.00 0.00 C ATOM 153 C ASP A 12 2.677 12.466 4.766 1.00 0.00 C ATOM 154 O ASP A 12 3.039 11.306 4.567 1.00 0.00 O ATOM 155 CB ASP A 12 3.745 13.554 6.748 1.00 0.00 C ATOM 156 CG ASP A 12 5.134 13.888 7.256 1.00 0.00 C ATOM 157 OD1 ASP A 12 6.020 13.010 7.183 1.00 0.00 O ATOM 158 OD2 ASP A 12 5.337 15.028 7.726 1.00 0.00 O ATOM 0 H ASP A 12 3.143 15.548 5.433 1.00 0.00 H new ATOM 0 HA ASP A 12 4.654 13.277 4.821 1.00 0.00 H new ATOM 0 HB2 ASP A 12 3.035 14.287 7.131 1.00 0.00 H new ATOM 0 HB3 ASP A 12 3.442 12.583 7.139 1.00 0.00 H new ATOM 163 N ASP A 13 1.421 12.871 4.602 1.00 0.00 N ATOM 164 CA ASP A 13 0.371 11.956 4.170 1.00 0.00 C ATOM 165 C ASP A 13 0.709 11.337 2.817 1.00 0.00 C ATOM 166 O ASP A 13 0.656 10.118 2.651 1.00 0.00 O ATOM 167 CB ASP A 13 -0.968 12.689 4.091 1.00 0.00 C ATOM 168 CG ASP A 13 -2.146 11.737 4.022 1.00 0.00 C ATOM 169 OD1 ASP A 13 -2.573 11.244 5.086 1.00 0.00 O ATOM 170 OD2 ASP A 13 -2.643 11.487 2.904 1.00 0.00 O ATOM 0 H ASP A 13 1.106 13.828 4.762 1.00 0.00 H new ATOM 0 HA ASP A 13 0.296 11.154 4.904 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -1.077 13.335 4.962 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -0.974 13.334 3.213 1.00 0.00 H new ATOM 175 N PHE A 14 1.061 12.183 1.855 1.00 0.00 N ATOM 176 CA PHE A 14 1.412 11.716 0.518 1.00 0.00 C ATOM 177 C PHE A 14 2.641 10.815 0.565 1.00 0.00 C ATOM 178 O PHE A 14 2.815 9.945 -0.288 1.00 0.00 O ATOM 179 CB PHE A 14 1.664 12.901 -0.416 1.00 0.00 C ATOM 180 CG PHE A 14 0.443 13.327 -1.181 1.00 0.00 C ATOM 181 CD1 PHE A 14 0.012 12.605 -2.285 1.00 0.00 C ATOM 182 CD2 PHE A 14 -0.274 14.448 -0.798 1.00 0.00 C ATOM 183 CE1 PHE A 14 -1.112 12.996 -2.989 1.00 0.00 C ATOM 184 CE2 PHE A 14 -1.397 14.843 -1.497 1.00 0.00 C ATOM 185 CZ PHE A 14 -1.817 14.116 -2.594 1.00 0.00 C ATOM 0 H PHE A 14 1.111 13.195 1.975 1.00 0.00 H new ATOM 0 HA PHE A 14 0.573 11.137 0.131 1.00 0.00 H new ATOM 0 HB2 PHE A 14 2.030 13.745 0.170 1.00 0.00 H new ATOM 0 HB3 PHE A 14 2.452 12.637 -1.121 1.00 0.00 H new ATOM 0 HD1 PHE A 14 0.560 11.729 -2.598 1.00 0.00 H new ATOM 0 HD2 PHE A 14 0.050 15.021 0.059 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -1.438 12.426 -3.847 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -1.947 15.719 -1.187 1.00 0.00 H new ATOM 0 HZ PHE A 14 -2.696 14.423 -3.142 1.00 0.00 H new ATOM 195 N GLN A 15 3.485 11.017 1.574 1.00 0.00 N ATOM 196 CA GLN A 15 4.682 10.210 1.733 1.00 0.00 C ATOM 197 C GLN A 15 4.291 8.794 2.118 1.00 0.00 C ATOM 198 O GLN A 15 4.933 7.822 1.715 1.00 0.00 O ATOM 199 CB GLN A 15 5.600 10.815 2.798 1.00 0.00 C ATOM 200 CG GLN A 15 7.078 10.706 2.461 1.00 0.00 C ATOM 201 CD GLN A 15 7.654 12.005 1.933 1.00 0.00 C ATOM 202 OE1 GLN A 15 7.041 13.065 2.059 1.00 0.00 O ATOM 203 NE2 GLN A 15 8.838 11.930 1.339 1.00 0.00 N ATOM 0 H GLN A 15 3.359 11.732 2.290 1.00 0.00 H new ATOM 0 HA GLN A 15 5.224 10.189 0.788 1.00 0.00 H new ATOM 0 HB2 GLN A 15 5.343 11.866 2.933 1.00 0.00 H new ATOM 0 HB3 GLN A 15 5.415 10.317 3.750 1.00 0.00 H new ATOM 0 HG2 GLN A 15 7.629 10.405 3.352 1.00 0.00 H new ATOM 0 HG3 GLN A 15 7.220 9.921 1.718 1.00 0.00 H new ATOM 0 HE21 GLN A 15 9.311 11.030 1.256 1.00 0.00 H new ATOM 0 HE22 GLN A 15 9.275 12.772 0.965 1.00 0.00 H new ATOM 212 N PHE A 16 3.214 8.687 2.890 1.00 0.00 N ATOM 213 CA PHE A 16 2.717 7.395 3.319 1.00 0.00 C ATOM 214 C PHE A 16 2.291 6.577 2.107 1.00 0.00 C ATOM 215 O PHE A 16 2.480 5.361 2.063 1.00 0.00 O ATOM 216 CB PHE A 16 1.542 7.565 4.289 1.00 0.00 C ATOM 217 CG PHE A 16 0.808 6.286 4.585 1.00 0.00 C ATOM 218 CD1 PHE A 16 1.475 5.196 5.122 1.00 0.00 C ATOM 219 CD2 PHE A 16 -0.549 6.175 4.323 1.00 0.00 C ATOM 220 CE1 PHE A 16 0.802 4.020 5.392 1.00 0.00 C ATOM 221 CE2 PHE A 16 -1.227 5.001 4.592 1.00 0.00 C ATOM 222 CZ PHE A 16 -0.551 3.922 5.127 1.00 0.00 C ATOM 0 H PHE A 16 2.672 9.482 3.228 1.00 0.00 H new ATOM 0 HA PHE A 16 3.515 6.867 3.840 1.00 0.00 H new ATOM 0 HB2 PHE A 16 1.913 7.985 5.224 1.00 0.00 H new ATOM 0 HB3 PHE A 16 0.840 8.287 3.872 1.00 0.00 H new ATOM 0 HD1 PHE A 16 2.532 5.267 5.332 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -1.082 7.015 3.904 1.00 0.00 H new ATOM 0 HE1 PHE A 16 1.333 3.178 5.810 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -2.284 4.927 4.384 1.00 0.00 H new ATOM 0 HZ PHE A 16 -1.079 3.003 5.338 1.00 0.00 H new ATOM 232 N LEU A 17 1.721 7.262 1.119 1.00 0.00 N ATOM 233 CA LEU A 17 1.274 6.610 -0.103 1.00 0.00 C ATOM 234 C LEU A 17 2.468 6.113 -0.909 1.00 0.00 C ATOM 235 O LEU A 17 2.404 5.065 -1.549 1.00 0.00 O ATOM 236 CB LEU A 17 0.435 7.574 -0.944 1.00 0.00 C ATOM 237 CG LEU A 17 -1.073 7.309 -0.908 1.00 0.00 C ATOM 238 CD1 LEU A 17 -1.822 8.534 -0.405 1.00 0.00 C ATOM 239 CD2 LEU A 17 -1.580 6.896 -2.282 1.00 0.00 C ATOM 0 H LEU A 17 1.559 8.269 1.143 1.00 0.00 H new ATOM 0 HA LEU A 17 0.657 5.754 0.169 1.00 0.00 H new ATOM 0 HB2 LEU A 17 0.620 8.591 -0.598 1.00 0.00 H new ATOM 0 HB3 LEU A 17 0.775 7.522 -1.978 1.00 0.00 H new ATOM 0 HG LEU A 17 -1.258 6.488 -0.216 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -2.892 8.325 -0.387 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -1.483 8.780 0.602 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -1.628 9.377 -1.069 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -2.653 6.713 -2.234 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -1.380 7.693 -2.998 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -1.070 5.986 -2.600 1.00 0.00 H new ATOM 251 N SER A 18 3.561 6.869 -0.861 1.00 0.00 N ATOM 252 CA SER A 18 4.774 6.498 -1.578 1.00 0.00 C ATOM 253 C SER A 18 5.212 5.094 -1.181 1.00 0.00 C ATOM 254 O SER A 18 5.700 4.325 -2.008 1.00 0.00 O ATOM 255 CB SER A 18 5.893 7.499 -1.288 1.00 0.00 C ATOM 256 OG SER A 18 7.064 7.184 -2.020 1.00 0.00 O ATOM 0 H SER A 18 3.630 7.740 -0.334 1.00 0.00 H new ATOM 0 HA SER A 18 4.562 6.512 -2.647 1.00 0.00 H new ATOM 0 HB2 SER A 18 5.560 8.505 -1.544 1.00 0.00 H new ATOM 0 HB3 SER A 18 6.117 7.499 -0.221 1.00 0.00 H new ATOM 0 HG SER A 18 7.763 7.840 -1.817 1.00 0.00 H new ATOM 262 N ASP A 19 5.022 4.767 0.094 1.00 0.00 N ATOM 263 CA ASP A 19 5.384 3.452 0.608 1.00 0.00 C ATOM 264 C ASP A 19 4.347 2.413 0.195 1.00 0.00 C ATOM 265 O ASP A 19 4.692 1.284 -0.153 1.00 0.00 O ATOM 266 CB ASP A 19 5.514 3.493 2.132 1.00 0.00 C ATOM 267 CG ASP A 19 6.801 2.857 2.620 1.00 0.00 C ATOM 268 OD1 ASP A 19 7.854 3.092 1.990 1.00 0.00 O ATOM 269 OD2 ASP A 19 6.756 2.126 3.632 1.00 0.00 O ATOM 0 H ASP A 19 4.619 5.395 0.789 1.00 0.00 H new ATOM 0 HA ASP A 19 6.347 3.169 0.183 1.00 0.00 H new ATOM 0 HB2 ASP A 19 5.473 4.529 2.470 1.00 0.00 H new ATOM 0 HB3 ASP A 19 4.665 2.978 2.580 1.00 0.00 H new ATOM 274 N VAL A 20 3.074 2.803 0.225 1.00 0.00 N ATOM 275 CA VAL A 20 1.996 1.901 -0.159 1.00 0.00 C ATOM 276 C VAL A 20 2.170 1.458 -1.603 1.00 0.00 C ATOM 277 O VAL A 20 2.178 0.266 -1.901 1.00 0.00 O ATOM 278 CB VAL A 20 0.617 2.564 0.008 1.00 0.00 C ATOM 279 CG1 VAL A 20 -0.500 1.587 -0.335 1.00 0.00 C ATOM 280 CG2 VAL A 20 0.460 3.090 1.424 1.00 0.00 C ATOM 0 H VAL A 20 2.767 3.733 0.510 1.00 0.00 H new ATOM 0 HA VAL A 20 2.044 1.035 0.501 1.00 0.00 H new ATOM 0 HB VAL A 20 0.549 3.403 -0.684 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -1.465 2.079 -0.209 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -0.392 1.259 -1.369 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -0.444 0.723 0.327 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -0.519 3.557 1.532 1.00 0.00 H new ATOM 0 HG22 VAL A 20 0.548 2.265 2.131 1.00 0.00 H new ATOM 0 HG23 VAL A 20 1.238 3.826 1.627 1.00 0.00 H new ATOM 290 N LEU A 21 2.333 2.427 -2.494 1.00 0.00 N ATOM 291 CA LEU A 21 2.533 2.132 -3.906 1.00 0.00 C ATOM 292 C LEU A 21 3.812 1.320 -4.094 1.00 0.00 C ATOM 293 O LEU A 21 3.993 0.653 -5.112 1.00 0.00 O ATOM 294 CB LEU A 21 2.609 3.427 -4.718 1.00 0.00 C ATOM 295 CG LEU A 21 1.483 4.427 -4.450 1.00 0.00 C ATOM 296 CD1 LEU A 21 1.957 5.847 -4.717 1.00 0.00 C ATOM 297 CD2 LEU A 21 0.267 4.099 -5.301 1.00 0.00 C ATOM 0 H LEU A 21 2.331 3.421 -2.265 1.00 0.00 H new ATOM 0 HA LEU A 21 1.685 1.548 -4.263 1.00 0.00 H new ATOM 0 HB2 LEU A 21 3.562 3.913 -4.510 1.00 0.00 H new ATOM 0 HB3 LEU A 21 2.605 3.174 -5.778 1.00 0.00 H new ATOM 0 HG LEU A 21 1.197 4.353 -3.401 1.00 0.00 H new ATOM 0 HD11 LEU A 21 1.143 6.545 -4.521 1.00 0.00 H new ATOM 0 HD12 LEU A 21 2.799 6.078 -4.064 1.00 0.00 H new ATOM 0 HD13 LEU A 21 2.270 5.937 -5.757 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -0.525 4.820 -5.098 1.00 0.00 H new ATOM 0 HD22 LEU A 21 0.538 4.145 -6.356 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -0.086 3.096 -5.061 1.00 0.00 H new ATOM 309 N ASP A 22 4.695 1.381 -3.098 1.00 0.00 N ATOM 310 CA ASP A 22 5.955 0.654 -3.141 1.00 0.00 C ATOM 311 C ASP A 22 5.770 -0.790 -2.680 1.00 0.00 C ATOM 312 O ASP A 22 6.580 -1.658 -3.005 1.00 0.00 O ATOM 313 CB ASP A 22 7.000 1.352 -2.266 1.00 0.00 C ATOM 314 CG ASP A 22 8.289 1.627 -3.014 1.00 0.00 C ATOM 315 OD1 ASP A 22 8.217 2.011 -4.201 1.00 0.00 O ATOM 316 OD2 ASP A 22 9.372 1.458 -2.414 1.00 0.00 O ATOM 0 H ASP A 22 4.556 1.930 -2.250 1.00 0.00 H new ATOM 0 HA ASP A 22 6.303 0.643 -4.174 1.00 0.00 H new ATOM 0 HB2 ASP A 22 6.591 2.292 -1.895 1.00 0.00 H new ATOM 0 HB3 ASP A 22 7.214 0.732 -1.395 1.00 0.00 H new ATOM 321 N CYS A 23 4.702 -1.044 -1.918 1.00 0.00 N ATOM 322 CA CYS A 23 4.423 -2.390 -1.415 1.00 0.00 C ATOM 323 C CYS A 23 4.604 -3.441 -2.512 1.00 0.00 C ATOM 324 O CYS A 23 4.635 -3.114 -3.699 1.00 0.00 O ATOM 325 CB CYS A 23 3.004 -2.463 -0.840 1.00 0.00 C ATOM 326 SG CYS A 23 1.691 -2.561 -2.084 1.00 0.00 S ATOM 0 H CYS A 23 4.020 -0.339 -1.638 1.00 0.00 H new ATOM 0 HA CYS A 23 5.138 -2.604 -0.621 1.00 0.00 H new ATOM 0 HB2 CYS A 23 2.935 -3.334 -0.188 1.00 0.00 H new ATOM 0 HB3 CYS A 23 2.832 -1.585 -0.218 1.00 0.00 H new ATOM 0 HG CYS A 23 1.403 -1.366 -2.506 1.00 0.00 H new ATOM 332 N ARG A 24 4.723 -4.701 -2.106 1.00 0.00 N ATOM 333 CA ARG A 24 4.902 -5.793 -3.057 1.00 0.00 C ATOM 334 C ARG A 24 3.597 -6.550 -3.275 1.00 0.00 C ATOM 335 O ARG A 24 3.352 -7.085 -4.357 1.00 0.00 O ATOM 336 CB ARG A 24 5.987 -6.753 -2.561 1.00 0.00 C ATOM 337 CG ARG A 24 7.341 -6.531 -3.214 1.00 0.00 C ATOM 338 CD ARG A 24 7.816 -5.099 -3.034 1.00 0.00 C ATOM 339 NE ARG A 24 8.863 -4.743 -3.990 1.00 0.00 N ATOM 340 CZ ARG A 24 9.486 -3.568 -4.005 1.00 0.00 C ATOM 341 NH1 ARG A 24 9.172 -2.632 -3.118 1.00 0.00 N ATOM 342 NH2 ARG A 24 10.425 -3.326 -4.909 1.00 0.00 N ATOM 0 H ARG A 24 4.699 -4.991 -1.128 1.00 0.00 H new ATOM 0 HA ARG A 24 5.211 -5.364 -4.010 1.00 0.00 H new ATOM 0 HB2 ARG A 24 6.091 -6.643 -1.482 1.00 0.00 H new ATOM 0 HB3 ARG A 24 5.667 -7.778 -2.748 1.00 0.00 H new ATOM 0 HG2 ARG A 24 8.071 -7.215 -2.782 1.00 0.00 H new ATOM 0 HG3 ARG A 24 7.276 -6.763 -4.277 1.00 0.00 H new ATOM 0 HD2 ARG A 24 6.972 -4.420 -3.152 1.00 0.00 H new ATOM 0 HD3 ARG A 24 8.192 -4.967 -2.019 1.00 0.00 H new ATOM 0 HE ARG A 24 9.132 -5.437 -4.687 1.00 0.00 H new ATOM 0 HH11 ARG A 24 8.450 -2.812 -2.420 1.00 0.00 H new ATOM 0 HH12 ARG A 24 9.653 -1.733 -3.134 1.00 0.00 H new ATOM 0 HH21 ARG A 24 10.670 -4.041 -5.594 1.00 0.00 H new ATOM 0 HH22 ARG A 24 10.902 -2.425 -4.920 1.00 0.00 H new ATOM 356 N ALA A 25 2.761 -6.595 -2.243 1.00 0.00 N ATOM 357 CA ALA A 25 1.484 -7.291 -2.328 1.00 0.00 C ATOM 358 C ALA A 25 0.394 -6.546 -1.566 1.00 0.00 C ATOM 359 O ALA A 25 0.650 -5.951 -0.517 1.00 0.00 O ATOM 360 CB ALA A 25 1.623 -8.711 -1.801 1.00 0.00 C ATOM 0 H ALA A 25 2.945 -6.158 -1.340 1.00 0.00 H new ATOM 0 HA ALA A 25 1.191 -7.329 -3.377 1.00 0.00 H new ATOM 0 HB1 ALA A 25 0.662 -9.220 -1.870 1.00 0.00 H new ATOM 0 HB2 ALA A 25 2.362 -9.249 -2.395 1.00 0.00 H new ATOM 0 HB3 ALA A 25 1.945 -8.683 -0.760 1.00 0.00 H new ATOM 366 N VAL A 26 -0.823 -6.587 -2.099 1.00 0.00 N ATOM 367 CA VAL A 26 -1.957 -5.921 -1.471 1.00 0.00 C ATOM 368 C VAL A 26 -3.068 -6.918 -1.162 1.00 0.00 C ATOM 369 O VAL A 26 -3.504 -7.669 -2.036 1.00 0.00 O ATOM 370 CB VAL A 26 -2.524 -4.803 -2.367 1.00 0.00 C ATOM 371 CG1 VAL A 26 -3.630 -4.046 -1.645 1.00 0.00 C ATOM 372 CG2 VAL A 26 -1.415 -3.857 -2.804 1.00 0.00 C ATOM 0 H VAL A 26 -1.049 -7.075 -2.966 1.00 0.00 H new ATOM 0 HA VAL A 26 -1.592 -5.480 -0.544 1.00 0.00 H new ATOM 0 HB VAL A 26 -2.954 -5.259 -3.259 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -4.017 -3.261 -2.294 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -4.435 -4.735 -1.389 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -3.231 -3.600 -0.734 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -1.833 -3.074 -3.436 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -0.954 -3.407 -1.925 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -0.663 -4.412 -3.364 1.00 0.00 H new ATOM 382 N ARG A 27 -3.522 -6.922 0.085 1.00 0.00 N ATOM 383 CA ARG A 27 -4.582 -7.828 0.508 1.00 0.00 C ATOM 384 C ARG A 27 -5.432 -7.193 1.603 1.00 0.00 C ATOM 385 O ARG A 27 -5.231 -6.035 1.965 1.00 0.00 O ATOM 386 CB ARG A 27 -3.986 -9.147 1.006 1.00 0.00 C ATOM 387 CG ARG A 27 -3.927 -10.228 -0.060 1.00 0.00 C ATOM 388 CD ARG A 27 -5.318 -10.697 -0.457 1.00 0.00 C ATOM 389 NE ARG A 27 -5.319 -12.085 -0.913 1.00 0.00 N ATOM 390 CZ ARG A 27 -4.806 -12.483 -2.076 1.00 0.00 C ATOM 391 NH1 ARG A 27 -4.256 -11.604 -2.903 1.00 0.00 N ATOM 392 NH2 ARG A 27 -4.845 -13.766 -2.412 1.00 0.00 N ATOM 0 H ARG A 27 -3.173 -6.308 0.821 1.00 0.00 H new ATOM 0 HA ARG A 27 -5.221 -8.030 -0.352 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -2.979 -8.963 1.381 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -4.578 -9.509 1.847 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -3.406 -9.846 -0.938 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -3.349 -11.074 0.310 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -5.992 -10.595 0.394 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -5.705 -10.055 -1.249 1.00 0.00 H new ATOM 0 HE ARG A 27 -5.737 -12.790 -0.306 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -4.224 -10.616 -2.650 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -3.865 -11.916 -3.792 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -5.267 -14.446 -1.780 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -4.453 -14.072 -3.302 1.00 0.00 H new ATOM 406 N SER A 28 -6.382 -7.961 2.125 1.00 0.00 N ATOM 407 CA SER A 28 -7.264 -7.473 3.179 1.00 0.00 C ATOM 408 C SER A 28 -7.039 -8.247 4.473 1.00 0.00 C ATOM 409 O SER A 28 -6.866 -9.464 4.457 1.00 0.00 O ATOM 410 CB SER A 28 -8.729 -7.592 2.747 1.00 0.00 C ATOM 411 OG SER A 28 -8.835 -8.115 1.433 1.00 0.00 O ATOM 0 H SER A 28 -6.561 -8.923 1.836 1.00 0.00 H new ATOM 0 HA SER A 28 -7.031 -6.423 3.357 1.00 0.00 H new ATOM 0 HB2 SER A 28 -9.265 -8.238 3.443 1.00 0.00 H new ATOM 0 HB3 SER A 28 -9.205 -6.612 2.791 1.00 0.00 H new ATOM 0 HG SER A 28 -9.543 -8.793 1.407 1.00 0.00 H new ATOM 417 N ALA A 29 -7.048 -7.533 5.592 1.00 0.00 N ATOM 418 CA ALA A 29 -6.851 -8.157 6.893 1.00 0.00 C ATOM 419 C ALA A 29 -8.012 -9.085 7.220 1.00 0.00 C ATOM 420 O ALA A 29 -7.813 -10.212 7.673 1.00 0.00 O ATOM 421 CB ALA A 29 -6.694 -7.100 7.975 1.00 0.00 C ATOM 0 H ALA A 29 -7.189 -6.523 5.624 1.00 0.00 H new ATOM 0 HA ALA A 29 -5.936 -8.748 6.855 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -6.548 -7.586 8.940 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -5.831 -6.474 7.749 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -7.591 -6.482 8.012 1.00 0.00 H new ATOM 427 N MET A 30 -9.229 -8.605 6.977 1.00 0.00 N ATOM 428 CA MET A 30 -10.426 -9.399 7.236 1.00 0.00 C ATOM 429 C MET A 30 -10.380 -10.715 6.461 1.00 0.00 C ATOM 430 O MET A 30 -10.987 -11.707 6.864 1.00 0.00 O ATOM 431 CB MET A 30 -11.679 -8.610 6.854 1.00 0.00 C ATOM 432 CG MET A 30 -11.635 -8.042 5.445 1.00 0.00 C ATOM 433 SD MET A 30 -12.618 -9.001 4.276 1.00 0.00 S ATOM 434 CE MET A 30 -14.194 -8.157 4.388 1.00 0.00 C ATOM 0 H MET A 30 -9.412 -7.674 6.603 1.00 0.00 H new ATOM 0 HA MET A 30 -10.461 -9.626 8.302 1.00 0.00 H new ATOM 0 HB2 MET A 30 -12.550 -9.259 6.948 1.00 0.00 H new ATOM 0 HB3 MET A 30 -11.813 -7.792 7.562 1.00 0.00 H new ATOM 0 HG2 MET A 30 -11.998 -7.014 5.461 1.00 0.00 H new ATOM 0 HG3 MET A 30 -10.601 -8.010 5.103 1.00 0.00 H new ATOM 0 HE1 MET A 30 -14.911 -8.635 3.720 1.00 0.00 H new ATOM 0 HE2 MET A 30 -14.562 -8.208 5.413 1.00 0.00 H new ATOM 0 HE3 MET A 30 -14.069 -7.113 4.099 1.00 0.00 H new ATOM 444 N ASN A 31 -9.653 -10.712 5.346 1.00 0.00 N ATOM 445 CA ASN A 31 -9.520 -11.901 4.510 1.00 0.00 C ATOM 446 C ASN A 31 -8.188 -11.888 3.763 1.00 0.00 C ATOM 447 O ASN A 31 -8.151 -11.780 2.538 1.00 0.00 O ATOM 448 CB ASN A 31 -10.680 -11.983 3.516 1.00 0.00 C ATOM 449 CG ASN A 31 -11.150 -13.407 3.292 1.00 0.00 C ATOM 450 OD1 ASN A 31 -12.347 -13.692 3.339 1.00 0.00 O ATOM 451 ND2 ASN A 31 -10.208 -14.310 3.048 1.00 0.00 N ATOM 0 H ASN A 31 -9.146 -9.897 5.001 1.00 0.00 H new ATOM 0 HA ASN A 31 -9.546 -12.779 5.156 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -11.512 -11.382 3.883 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -10.370 -11.552 2.564 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -10.464 -15.285 2.890 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -9.228 -14.029 3.018 1.00 0.00 H new ATOM 458 N LEU A 32 -7.096 -11.996 4.513 1.00 0.00 N ATOM 459 CA LEU A 32 -5.760 -11.992 3.924 1.00 0.00 C ATOM 460 C LEU A 32 -5.492 -13.284 3.153 1.00 0.00 C ATOM 461 O LEU A 32 -4.583 -13.342 2.325 1.00 0.00 O ATOM 462 CB LEU A 32 -4.700 -11.798 5.014 1.00 0.00 C ATOM 463 CG LEU A 32 -3.846 -10.537 4.868 1.00 0.00 C ATOM 464 CD1 LEU A 32 -2.871 -10.412 6.029 1.00 0.00 C ATOM 465 CD2 LEU A 32 -3.098 -10.550 3.543 1.00 0.00 C ATOM 0 H LEU A 32 -7.109 -12.087 5.529 1.00 0.00 H new ATOM 0 HA LEU A 32 -5.705 -11.161 3.221 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -5.198 -11.771 5.983 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -4.041 -12.666 5.018 1.00 0.00 H new ATOM 0 HG LEU A 32 -4.508 -9.671 4.882 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -2.273 -9.509 5.906 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -3.426 -10.355 6.966 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -2.215 -11.282 6.048 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -2.496 -9.646 3.456 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -2.448 -11.424 3.501 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -3.813 -10.590 2.722 1.00 0.00 H new ATOM 477 N ARG A 33 -6.283 -14.316 3.430 1.00 0.00 N ATOM 478 CA ARG A 33 -6.123 -15.601 2.758 1.00 0.00 C ATOM 479 C ARG A 33 -6.705 -15.570 1.344 1.00 0.00 C ATOM 480 O ARG A 33 -6.596 -16.548 0.603 1.00 0.00 O ATOM 481 CB ARG A 33 -6.795 -16.711 3.570 1.00 0.00 C ATOM 482 CG ARG A 33 -6.142 -16.959 4.921 1.00 0.00 C ATOM 483 CD ARG A 33 -6.604 -15.949 5.958 1.00 0.00 C ATOM 484 NE ARG A 33 -8.058 -15.809 5.976 1.00 0.00 N ATOM 485 CZ ARG A 33 -8.880 -16.691 6.541 1.00 0.00 C ATOM 486 NH1 ARG A 33 -8.396 -17.776 7.131 1.00 0.00 N ATOM 487 NH2 ARG A 33 -10.190 -16.487 6.513 1.00 0.00 N ATOM 0 H ARG A 33 -7.040 -14.288 4.114 1.00 0.00 H new ATOM 0 HA ARG A 33 -5.055 -15.803 2.681 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -7.843 -16.453 3.724 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -6.776 -17.635 2.992 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -6.380 -17.967 5.262 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -5.058 -16.906 4.817 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -6.257 -16.258 6.944 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -6.149 -14.981 5.749 1.00 0.00 H new ATOM 0 HE ARG A 33 -8.467 -14.988 5.530 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -7.389 -17.938 7.154 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -9.031 -18.448 7.562 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -10.567 -15.655 6.059 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -10.821 -17.162 6.945 1.00 0.00 H new ATOM 501 N ALA A 34 -7.325 -14.451 0.973 1.00 0.00 N ATOM 502 CA ALA A 34 -7.918 -14.318 -0.353 1.00 0.00 C ATOM 503 C ALA A 34 -8.346 -12.879 -0.629 1.00 0.00 C ATOM 504 O ALA A 34 -8.938 -12.222 0.227 1.00 0.00 O ATOM 505 CB ALA A 34 -9.107 -15.255 -0.489 1.00 0.00 C ATOM 0 H ALA A 34 -7.429 -13.629 1.569 1.00 0.00 H new ATOM 0 HA ALA A 34 -7.162 -14.589 -1.089 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -9.543 -15.148 -1.482 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -8.777 -16.284 -0.346 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -9.855 -15.006 0.264 1.00 0.00 H new ATOM 511 N ALA A 35 -8.051 -12.399 -1.834 1.00 0.00 N ATOM 512 CA ALA A 35 -8.412 -11.041 -2.226 1.00 0.00 C ATOM 513 C ALA A 35 -9.923 -10.909 -2.388 1.00 0.00 C ATOM 514 O ALA A 35 -10.658 -11.885 -2.235 1.00 0.00 O ATOM 515 CB ALA A 35 -7.705 -10.658 -3.518 1.00 0.00 C ATOM 0 H ALA A 35 -7.563 -12.930 -2.555 1.00 0.00 H new ATOM 0 HA ALA A 35 -8.092 -10.360 -1.437 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -7.984 -9.642 -3.798 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -6.626 -10.711 -3.372 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -7.998 -11.346 -4.311 1.00 0.00 H new ATOM 521 N LEU A 36 -10.385 -9.701 -2.695 1.00 0.00 N ATOM 522 CA LEU A 36 -11.812 -9.461 -2.872 1.00 0.00 C ATOM 523 C LEU A 36 -12.239 -9.733 -4.308 1.00 0.00 C ATOM 524 O LEU A 36 -12.984 -10.674 -4.579 1.00 0.00 O ATOM 525 CB LEU A 36 -12.158 -8.023 -2.487 1.00 0.00 C ATOM 526 CG LEU A 36 -11.841 -7.644 -1.041 1.00 0.00 C ATOM 527 CD1 LEU A 36 -10.339 -7.538 -0.834 1.00 0.00 C ATOM 528 CD2 LEU A 36 -12.525 -6.337 -0.671 1.00 0.00 C ATOM 0 H LEU A 36 -9.796 -8.878 -2.826 1.00 0.00 H new ATOM 0 HA LEU A 36 -12.353 -10.146 -2.219 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -11.619 -7.346 -3.150 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -13.222 -7.862 -2.663 1.00 0.00 H new ATOM 0 HG LEU A 36 -12.222 -8.429 -0.388 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -10.133 -7.267 0.201 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -9.872 -8.497 -1.058 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -9.933 -6.773 -1.497 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -12.288 -6.082 0.362 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -12.174 -5.543 -1.330 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -13.604 -6.448 -0.779 1.00 0.00 H new ATOM 540 N THR A 37 -11.755 -8.907 -5.225 1.00 0.00 N ATOM 541 CA THR A 37 -12.078 -9.059 -6.641 1.00 0.00 C ATOM 542 C THR A 37 -11.336 -8.021 -7.475 1.00 0.00 C ATOM 543 O THR A 37 -11.054 -6.919 -7.005 1.00 0.00 O ATOM 544 CB THR A 37 -13.590 -8.936 -6.869 1.00 0.00 C ATOM 545 OG1 THR A 37 -14.262 -8.601 -5.668 1.00 0.00 O ATOM 546 CG2 THR A 37 -14.216 -10.206 -7.405 1.00 0.00 C ATOM 0 H THR A 37 -11.137 -8.123 -5.016 1.00 0.00 H new ATOM 0 HA THR A 37 -11.759 -10.053 -6.956 1.00 0.00 H new ATOM 0 HB THR A 37 -13.703 -8.147 -7.612 1.00 0.00 H new ATOM 0 HG1 THR A 37 -15.224 -8.527 -5.841 1.00 0.00 H new ATOM 0 HG21 THR A 37 -15.286 -10.053 -7.544 1.00 0.00 H new ATOM 0 HG22 THR A 37 -13.758 -10.462 -8.361 1.00 0.00 H new ATOM 0 HG23 THR A 37 -14.055 -11.018 -6.696 1.00 0.00 H new ATOM 554 N SER A 38 -11.025 -8.378 -8.720 1.00 0.00 N ATOM 555 CA SER A 38 -10.318 -7.472 -9.621 1.00 0.00 C ATOM 556 C SER A 38 -10.963 -6.090 -9.615 1.00 0.00 C ATOM 557 O SER A 38 -10.274 -5.071 -9.587 1.00 0.00 O ATOM 558 CB SER A 38 -10.306 -8.036 -11.042 1.00 0.00 C ATOM 559 OG SER A 38 -10.232 -9.451 -11.030 1.00 0.00 O ATOM 0 H SER A 38 -11.251 -9.286 -9.126 1.00 0.00 H new ATOM 0 HA SER A 38 -9.291 -7.377 -9.269 1.00 0.00 H new ATOM 0 HB2 SER A 38 -11.206 -7.721 -11.569 1.00 0.00 H new ATOM 0 HB3 SER A 38 -9.456 -7.629 -11.591 1.00 0.00 H new ATOM 0 HG SER A 38 -10.228 -9.786 -11.951 1.00 0.00 H new ATOM 565 N PHE A 39 -12.291 -6.068 -9.631 1.00 0.00 N ATOM 566 CA PHE A 39 -13.034 -4.815 -9.616 1.00 0.00 C ATOM 567 C PHE A 39 -13.004 -4.194 -8.225 1.00 0.00 C ATOM 568 O PHE A 39 -12.977 -2.973 -8.078 1.00 0.00 O ATOM 569 CB PHE A 39 -14.482 -5.050 -10.054 1.00 0.00 C ATOM 570 CG PHE A 39 -14.730 -4.737 -11.502 1.00 0.00 C ATOM 571 CD1 PHE A 39 -14.292 -5.598 -12.496 1.00 0.00 C ATOM 572 CD2 PHE A 39 -15.402 -3.581 -11.869 1.00 0.00 C ATOM 573 CE1 PHE A 39 -14.520 -5.312 -13.828 1.00 0.00 C ATOM 574 CE2 PHE A 39 -15.632 -3.290 -13.200 1.00 0.00 C ATOM 575 CZ PHE A 39 -15.191 -4.157 -14.181 1.00 0.00 C ATOM 0 H PHE A 39 -12.875 -6.904 -9.654 1.00 0.00 H new ATOM 0 HA PHE A 39 -12.561 -4.127 -10.316 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -14.746 -6.091 -9.865 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -15.143 -4.438 -9.440 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -13.767 -6.502 -12.226 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -15.750 -2.900 -11.106 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -14.174 -5.991 -14.593 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -16.156 -2.386 -13.473 1.00 0.00 H new ATOM 0 HZ PHE A 39 -15.370 -3.932 -15.222 1.00 0.00 H new ATOM 585 N GLN A 40 -13.014 -5.047 -7.204 1.00 0.00 N ATOM 586 CA GLN A 40 -12.990 -4.584 -5.821 1.00 0.00 C ATOM 587 C GLN A 40 -11.733 -3.769 -5.538 1.00 0.00 C ATOM 588 O GLN A 40 -11.811 -2.604 -5.149 1.00 0.00 O ATOM 589 CB GLN A 40 -13.079 -5.772 -4.860 1.00 0.00 C ATOM 590 CG GLN A 40 -14.220 -5.659 -3.860 1.00 0.00 C ATOM 591 CD GLN A 40 -15.547 -5.335 -4.517 1.00 0.00 C ATOM 592 OE1 GLN A 40 -15.794 -5.711 -5.663 1.00 0.00 O ATOM 593 NE2 GLN A 40 -16.410 -4.632 -3.793 1.00 0.00 N ATOM 0 H GLN A 40 -13.039 -6.061 -7.309 1.00 0.00 H new ATOM 0 HA GLN A 40 -13.855 -3.939 -5.666 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -13.202 -6.688 -5.438 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -12.138 -5.861 -4.317 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -14.311 -6.597 -3.312 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -13.982 -4.885 -3.130 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -16.164 -4.341 -2.847 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -17.319 -4.383 -4.183 1.00 0.00 H new ATOM 602 N VAL A 41 -10.574 -4.387 -5.735 1.00 0.00 N ATOM 603 CA VAL A 41 -9.304 -3.713 -5.499 1.00 0.00 C ATOM 604 C VAL A 41 -9.151 -2.503 -6.414 1.00 0.00 C ATOM 605 O VAL A 41 -8.623 -1.469 -6.008 1.00 0.00 O ATOM 606 CB VAL A 41 -8.110 -4.661 -5.710 1.00 0.00 C ATOM 607 CG1 VAL A 41 -6.802 -3.959 -5.374 1.00 0.00 C ATOM 608 CG2 VAL A 41 -8.277 -5.922 -4.872 1.00 0.00 C ATOM 0 H VAL A 41 -10.488 -5.351 -6.057 1.00 0.00 H new ATOM 0 HA VAL A 41 -9.309 -3.384 -4.460 1.00 0.00 H new ATOM 0 HB VAL A 41 -8.080 -4.950 -6.761 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -5.970 -4.646 -5.530 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -6.680 -3.089 -6.019 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -6.818 -3.639 -4.332 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -7.424 -6.581 -5.033 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -8.334 -5.653 -3.817 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -9.193 -6.435 -5.165 1.00 0.00 H new ATOM 618 N ALA A 42 -9.621 -2.637 -7.650 1.00 0.00 N ATOM 619 CA ALA A 42 -9.539 -1.551 -8.619 1.00 0.00 C ATOM 620 C ALA A 42 -10.255 -0.311 -8.101 1.00 0.00 C ATOM 621 O ALA A 42 -9.706 0.791 -8.125 1.00 0.00 O ATOM 622 CB ALA A 42 -10.125 -1.988 -9.953 1.00 0.00 C ATOM 0 H ALA A 42 -10.062 -3.486 -8.004 1.00 0.00 H new ATOM 0 HA ALA A 42 -8.489 -1.300 -8.766 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -10.057 -1.167 -10.667 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -9.568 -2.845 -10.332 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -11.170 -2.266 -9.818 1.00 0.00 H new ATOM 628 N GLN A 43 -11.482 -0.497 -7.619 1.00 0.00 N ATOM 629 CA GLN A 43 -12.263 0.608 -7.081 1.00 0.00 C ATOM 630 C GLN A 43 -11.499 1.285 -5.951 1.00 0.00 C ATOM 631 O GLN A 43 -11.537 2.506 -5.804 1.00 0.00 O ATOM 632 CB GLN A 43 -13.618 0.109 -6.574 1.00 0.00 C ATOM 633 CG GLN A 43 -14.591 -0.239 -7.688 1.00 0.00 C ATOM 634 CD GLN A 43 -14.790 0.901 -8.666 1.00 0.00 C ATOM 635 OE1 GLN A 43 -14.819 2.069 -8.279 1.00 0.00 O ATOM 636 NE2 GLN A 43 -14.930 0.568 -9.944 1.00 0.00 N ATOM 0 H GLN A 43 -11.953 -1.401 -7.591 1.00 0.00 H new ATOM 0 HA GLN A 43 -12.436 1.332 -7.877 1.00 0.00 H new ATOM 0 HB2 GLN A 43 -13.462 -0.771 -5.950 1.00 0.00 H new ATOM 0 HB3 GLN A 43 -14.064 0.875 -5.939 1.00 0.00 H new ATOM 0 HG2 GLN A 43 -14.224 -1.114 -8.225 1.00 0.00 H new ATOM 0 HG3 GLN A 43 -15.553 -0.512 -7.253 1.00 0.00 H new ATOM 0 HE21 GLN A 43 -14.900 -0.413 -10.222 1.00 0.00 H new ATOM 0 HE22 GLN A 43 -15.068 1.293 -10.648 1.00 0.00 H new ATOM 645 N TYR A 44 -10.790 0.479 -5.168 1.00 0.00 N ATOM 646 CA TYR A 44 -9.994 0.990 -4.061 1.00 0.00 C ATOM 647 C TYR A 44 -8.781 1.742 -4.595 1.00 0.00 C ATOM 648 O TYR A 44 -8.348 2.739 -4.018 1.00 0.00 O ATOM 649 CB TYR A 44 -9.544 -0.160 -3.156 1.00 0.00 C ATOM 650 CG TYR A 44 -8.630 0.271 -2.030 1.00 0.00 C ATOM 651 CD1 TYR A 44 -7.285 0.527 -2.263 1.00 0.00 C ATOM 652 CD2 TYR A 44 -9.112 0.423 -0.737 1.00 0.00 C ATOM 653 CE1 TYR A 44 -6.446 0.921 -1.239 1.00 0.00 C ATOM 654 CE2 TYR A 44 -8.280 0.816 0.293 1.00 0.00 C ATOM 655 CZ TYR A 44 -6.948 1.064 0.038 1.00 0.00 C ATOM 656 OH TYR A 44 -6.116 1.457 1.059 1.00 0.00 O ATOM 0 H TYR A 44 -10.751 -0.534 -5.281 1.00 0.00 H new ATOM 0 HA TYR A 44 -10.606 1.676 -3.475 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -10.425 -0.642 -2.732 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -9.032 -0.907 -3.762 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -6.889 0.416 -3.261 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -10.155 0.231 -0.533 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -5.402 1.116 -1.437 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -8.671 0.929 1.293 1.00 0.00 H new ATOM 0 HH TYR A 44 -6.646 1.874 1.770 1.00 0.00 H new ATOM 666 N ARG A 45 -8.244 1.254 -5.709 1.00 0.00 N ATOM 667 CA ARG A 45 -7.087 1.874 -6.336 1.00 0.00 C ATOM 668 C ARG A 45 -7.420 3.290 -6.792 1.00 0.00 C ATOM 669 O ARG A 45 -6.592 4.196 -6.699 1.00 0.00 O ATOM 670 CB ARG A 45 -6.616 1.034 -7.525 1.00 0.00 C ATOM 671 CG ARG A 45 -5.416 0.157 -7.210 1.00 0.00 C ATOM 672 CD ARG A 45 -5.395 -1.091 -8.079 1.00 0.00 C ATOM 673 NE ARG A 45 -4.787 -0.838 -9.382 1.00 0.00 N ATOM 674 CZ ARG A 45 -4.589 -1.780 -10.302 1.00 0.00 C ATOM 675 NH1 ARG A 45 -4.946 -3.035 -10.064 1.00 0.00 N ATOM 676 NH2 ARG A 45 -4.031 -1.465 -11.463 1.00 0.00 N ATOM 0 H ARG A 45 -8.594 0.429 -6.195 1.00 0.00 H new ATOM 0 HA ARG A 45 -6.283 1.927 -5.602 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -7.438 0.403 -7.863 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -6.364 1.698 -8.352 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -4.498 0.725 -7.364 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -5.440 -0.130 -6.159 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -4.843 -1.880 -7.568 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -6.413 -1.454 -8.218 1.00 0.00 H new ATOM 0 HE ARG A 45 -4.497 0.115 -9.600 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -5.375 -3.283 -9.172 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -4.792 -3.752 -10.773 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -3.754 -0.502 -11.651 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -3.879 -2.186 -12.168 1.00 0.00 H new ATOM 690 N ASN A 46 -8.642 3.470 -7.280 1.00 0.00 N ATOM 691 CA ASN A 46 -9.098 4.772 -7.748 1.00 0.00 C ATOM 692 C ASN A 46 -9.214 5.753 -6.585 1.00 0.00 C ATOM 693 O ASN A 46 -8.956 6.946 -6.739 1.00 0.00 O ATOM 694 CB ASN A 46 -10.449 4.634 -8.457 1.00 0.00 C ATOM 695 CG ASN A 46 -10.467 5.322 -9.808 1.00 0.00 C ATOM 696 OD1 ASN A 46 -10.341 6.544 -9.897 1.00 0.00 O ATOM 697 ND2 ASN A 46 -10.625 4.540 -10.868 1.00 0.00 N ATOM 0 H ASN A 46 -9.336 2.727 -7.362 1.00 0.00 H new ATOM 0 HA ASN A 46 -8.364 5.160 -8.454 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -10.681 3.577 -8.588 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -11.232 5.057 -7.827 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -10.646 4.947 -11.803 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -10.726 3.532 -10.748 1.00 0.00 H new ATOM 704 N ILE A 47 -9.600 5.240 -5.417 1.00 0.00 N ATOM 705 CA ILE A 47 -9.742 6.074 -4.228 1.00 0.00 C ATOM 706 C ILE A 47 -8.449 6.833 -3.946 1.00 0.00 C ATOM 707 O ILE A 47 -8.424 8.064 -3.964 1.00 0.00 O ATOM 708 CB ILE A 47 -10.124 5.234 -2.991 1.00 0.00 C ATOM 709 CG1 ILE A 47 -11.435 4.489 -3.243 1.00 0.00 C ATOM 710 CG2 ILE A 47 -10.245 6.119 -1.757 1.00 0.00 C ATOM 711 CD1 ILE A 47 -11.751 3.444 -2.194 1.00 0.00 C ATOM 0 H ILE A 47 -9.819 4.255 -5.271 1.00 0.00 H new ATOM 0 HA ILE A 47 -10.544 6.785 -4.425 1.00 0.00 H new ATOM 0 HB ILE A 47 -9.335 4.504 -2.812 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -12.251 5.210 -3.282 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -11.388 4.008 -4.220 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -10.515 5.508 -0.896 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -9.291 6.612 -1.568 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -11.015 6.872 -1.923 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -12.695 2.957 -2.439 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -10.954 2.700 -2.170 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -11.831 3.921 -1.217 1.00 0.00 H new ATOM 723 N LEU A 48 -7.370 6.094 -3.707 1.00 0.00 N ATOM 724 CA LEU A 48 -6.077 6.711 -3.448 1.00 0.00 C ATOM 725 C LEU A 48 -5.650 7.538 -4.652 1.00 0.00 C ATOM 726 O LEU A 48 -5.081 8.621 -4.513 1.00 0.00 O ATOM 727 CB LEU A 48 -5.019 5.645 -3.143 1.00 0.00 C ATOM 728 CG LEU A 48 -5.423 4.591 -2.107 1.00 0.00 C ATOM 729 CD1 LEU A 48 -4.192 3.877 -1.576 1.00 0.00 C ATOM 730 CD2 LEU A 48 -6.203 5.224 -0.964 1.00 0.00 C ATOM 0 H LEU A 48 -7.366 5.074 -3.688 1.00 0.00 H new ATOM 0 HA LEU A 48 -6.171 7.361 -2.578 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -4.763 5.136 -4.072 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -4.115 6.145 -2.794 1.00 0.00 H new ATOM 0 HG LEU A 48 -6.069 3.862 -2.596 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -4.493 3.131 -0.841 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -3.673 3.386 -2.399 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -3.526 4.601 -1.106 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -6.478 4.455 -0.242 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -5.585 5.977 -0.475 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -7.105 5.694 -1.356 1.00 0.00 H new ATOM 742 N ASN A 49 -5.950 7.020 -5.838 1.00 0.00 N ATOM 743 CA ASN A 49 -5.619 7.705 -7.078 1.00 0.00 C ATOM 744 C ASN A 49 -6.278 9.079 -7.113 1.00 0.00 C ATOM 745 O ASN A 49 -5.707 10.044 -7.620 1.00 0.00 O ATOM 746 CB ASN A 49 -6.071 6.871 -8.276 1.00 0.00 C ATOM 747 CG ASN A 49 -5.311 7.222 -9.536 1.00 0.00 C ATOM 748 OD1 ASN A 49 -4.154 6.839 -9.705 1.00 0.00 O ATOM 749 ND2 ASN A 49 -5.960 7.955 -10.428 1.00 0.00 N ATOM 0 H ASN A 49 -6.423 6.125 -5.965 1.00 0.00 H new ATOM 0 HA ASN A 49 -4.538 7.835 -7.129 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -5.933 5.813 -8.053 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -7.137 7.025 -8.442 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -5.501 8.225 -11.298 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -6.919 8.250 -10.245 1.00 0.00 H new ATOM 756 N ALA A 50 -7.481 9.158 -6.554 1.00 0.00 N ATOM 757 CA ALA A 50 -8.221 10.410 -6.498 1.00 0.00 C ATOM 758 C ALA A 50 -7.496 11.418 -5.614 1.00 0.00 C ATOM 759 O ALA A 50 -7.613 12.629 -5.805 1.00 0.00 O ATOM 760 CB ALA A 50 -9.633 10.170 -5.984 1.00 0.00 C ATOM 0 H ALA A 50 -7.965 8.365 -6.132 1.00 0.00 H new ATOM 0 HA ALA A 50 -8.285 10.819 -7.506 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -10.173 11.116 -5.948 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -10.151 9.482 -6.652 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -9.588 9.740 -4.983 1.00 0.00 H new ATOM 766 N SER A 51 -6.743 10.905 -4.646 1.00 0.00 N ATOM 767 CA SER A 51 -5.989 11.748 -3.730 1.00 0.00 C ATOM 768 C SER A 51 -4.874 12.477 -4.470 1.00 0.00 C ATOM 769 O SER A 51 -4.530 13.612 -4.141 1.00 0.00 O ATOM 770 CB SER A 51 -5.401 10.904 -2.595 1.00 0.00 C ATOM 771 OG SER A 51 -5.354 11.638 -1.384 1.00 0.00 O ATOM 0 H SER A 51 -6.640 9.904 -4.477 1.00 0.00 H new ATOM 0 HA SER A 51 -6.667 12.488 -3.305 1.00 0.00 H new ATOM 0 HB2 SER A 51 -6.003 10.006 -2.456 1.00 0.00 H new ATOM 0 HB3 SER A 51 -4.397 10.576 -2.864 1.00 0.00 H new ATOM 0 HG SER A 51 -4.976 11.076 -0.675 1.00 0.00 H new ATOM 777 N LEU A 52 -4.321 11.813 -5.479 1.00 0.00 N ATOM 778 CA LEU A 52 -3.248 12.389 -6.284 1.00 0.00 C ATOM 779 C LEU A 52 -3.805 13.439 -7.236 1.00 0.00 C ATOM 780 O LEU A 52 -3.087 14.326 -7.698 1.00 0.00 O ATOM 781 CB LEU A 52 -2.522 11.298 -7.086 1.00 0.00 C ATOM 782 CG LEU A 52 -2.702 9.865 -6.575 1.00 0.00 C ATOM 783 CD1 LEU A 52 -1.810 8.906 -7.346 1.00 0.00 C ATOM 784 CD2 LEU A 52 -2.401 9.786 -5.086 1.00 0.00 C ATOM 0 H LEU A 52 -4.599 10.873 -5.760 1.00 0.00 H new ATOM 0 HA LEU A 52 -2.535 12.860 -5.608 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -2.868 11.342 -8.119 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -1.457 11.529 -7.096 1.00 0.00 H new ATOM 0 HG LEU A 52 -3.740 9.574 -6.734 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -1.952 7.893 -6.968 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -2.070 8.938 -8.404 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -0.767 9.197 -7.219 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -2.534 8.760 -4.742 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -1.372 10.098 -4.906 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -3.080 10.443 -4.542 1.00 0.00 H new ATOM 796 N GLN A 53 -5.090 13.309 -7.539 1.00 0.00 N ATOM 797 CA GLN A 53 -5.766 14.215 -8.453 1.00 0.00 C ATOM 798 C GLN A 53 -5.883 15.617 -7.892 1.00 0.00 C ATOM 799 O GLN A 53 -5.357 16.575 -8.458 1.00 0.00 O ATOM 800 CB GLN A 53 -7.161 13.681 -8.744 1.00 0.00 C ATOM 801 CG GLN A 53 -7.257 13.005 -10.083 1.00 0.00 C ATOM 802 CD GLN A 53 -8.045 11.712 -10.035 1.00 0.00 C ATOM 803 OE1 GLN A 53 -9.228 11.677 -10.377 1.00 0.00 O ATOM 804 NE2 GLN A 53 -7.389 10.639 -9.606 1.00 0.00 N ATOM 0 H GLN A 53 -5.689 12.576 -7.159 1.00 0.00 H new ATOM 0 HA GLN A 53 -5.170 14.270 -9.364 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -7.445 12.975 -7.964 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -7.876 14.503 -8.705 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -7.726 13.684 -10.795 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -6.253 12.799 -10.453 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -6.409 10.716 -9.333 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -7.865 9.739 -9.550 1.00 0.00 H new ATOM 813 N VAL A 54 -6.599 15.731 -6.790 1.00 0.00 N ATOM 814 CA VAL A 54 -6.816 17.021 -6.164 1.00 0.00 C ATOM 815 C VAL A 54 -5.501 17.664 -5.730 1.00 0.00 C ATOM 816 O VAL A 54 -5.435 18.874 -5.513 1.00 0.00 O ATOM 817 CB VAL A 54 -7.754 16.913 -4.945 1.00 0.00 C ATOM 818 CG1 VAL A 54 -9.209 16.992 -5.382 1.00 0.00 C ATOM 819 CG2 VAL A 54 -7.491 15.626 -4.176 1.00 0.00 C ATOM 0 H VAL A 54 -7.040 14.947 -6.310 1.00 0.00 H new ATOM 0 HA VAL A 54 -7.288 17.652 -6.917 1.00 0.00 H new ATOM 0 HB VAL A 54 -7.551 17.753 -4.280 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -9.856 16.914 -4.508 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -9.388 17.944 -5.882 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -9.427 16.175 -6.069 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -8.163 15.570 -3.320 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -7.663 14.770 -4.829 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -6.458 15.615 -3.827 1.00 0.00 H new ATOM 829 N ASP A 55 -4.454 16.850 -5.604 1.00 0.00 N ATOM 830 CA ASP A 55 -3.141 17.344 -5.195 1.00 0.00 C ATOM 831 C ASP A 55 -2.743 18.583 -5.993 1.00 0.00 C ATOM 832 O ASP A 55 -3.121 18.732 -7.156 1.00 0.00 O ATOM 833 CB ASP A 55 -2.085 16.252 -5.372 1.00 0.00 C ATOM 834 CG ASP A 55 -0.740 16.648 -4.798 1.00 0.00 C ATOM 835 OD1 ASP A 55 0.003 17.385 -5.481 1.00 0.00 O ATOM 836 OD2 ASP A 55 -0.429 16.224 -3.666 1.00 0.00 O ATOM 0 H ASP A 55 -4.490 15.846 -5.779 1.00 0.00 H new ATOM 0 HA ASP A 55 -3.201 17.620 -4.142 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -2.428 15.337 -4.888 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -1.972 16.028 -6.433 1.00 0.00 H new ATOM 841 N ARG A 56 -1.980 19.467 -5.362 1.00 0.00 N ATOM 842 CA ARG A 56 -1.530 20.693 -6.011 1.00 0.00 C ATOM 843 C ARG A 56 -0.591 20.380 -7.173 1.00 0.00 C ATOM 844 O ARG A 56 -0.968 20.503 -8.338 1.00 0.00 O ATOM 845 CB ARG A 56 -0.828 21.602 -4.999 1.00 0.00 C ATOM 846 CG ARG A 56 -1.704 22.737 -4.493 1.00 0.00 C ATOM 847 CD ARG A 56 -1.402 24.038 -5.218 1.00 0.00 C ATOM 848 NE ARG A 56 -1.997 24.074 -6.551 1.00 0.00 N ATOM 849 CZ ARG A 56 -1.607 24.904 -7.516 1.00 0.00 C ATOM 850 NH1 ARG A 56 -0.623 25.767 -7.300 1.00 0.00 N ATOM 851 NH2 ARG A 56 -2.203 24.870 -8.700 1.00 0.00 N ATOM 0 H ARG A 56 -1.659 19.358 -4.400 1.00 0.00 H new ATOM 0 HA ARG A 56 -2.405 21.210 -6.405 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -0.499 21.002 -4.151 1.00 0.00 H new ATOM 0 HB3 ARG A 56 0.067 22.022 -5.459 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -2.754 22.477 -4.631 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -1.547 22.870 -3.423 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -1.778 24.876 -4.631 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -0.323 24.165 -5.300 1.00 0.00 H new ATOM 0 HE ARG A 56 -2.757 23.425 -6.755 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -0.161 25.797 -6.391 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -0.328 26.401 -8.043 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -2.960 24.208 -8.871 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -1.905 25.506 -9.440 1.00 0.00 H new ATOM 865 N ASP A 57 0.632 19.977 -6.846 1.00 0.00 N ATOM 866 CA ASP A 57 1.628 19.647 -7.862 1.00 0.00 C ATOM 867 C ASP A 57 1.122 18.542 -8.784 1.00 0.00 C ATOM 868 O ASP A 57 1.234 17.357 -8.470 1.00 0.00 O ATOM 869 CB ASP A 57 2.943 19.219 -7.205 1.00 0.00 C ATOM 870 CG ASP A 57 2.732 18.272 -6.039 1.00 0.00 C ATOM 871 OD1 ASP A 57 2.345 17.108 -6.281 1.00 0.00 O ATOM 872 OD2 ASP A 57 2.953 18.693 -4.884 1.00 0.00 O ATOM 0 H ASP A 57 0.959 19.871 -5.886 1.00 0.00 H new ATOM 0 HA ASP A 57 1.806 20.541 -8.460 1.00 0.00 H new ATOM 0 HB2 ASP A 57 3.577 18.737 -7.949 1.00 0.00 H new ATOM 0 HB3 ASP A 57 3.476 20.104 -6.858 1.00 0.00 H new ATOM 877 N ALA A 58 0.565 18.939 -9.923 1.00 0.00 N ATOM 878 CA ALA A 58 0.043 17.983 -10.892 1.00 0.00 C ATOM 879 C ALA A 58 1.167 17.157 -11.509 1.00 0.00 C ATOM 880 O ALA A 58 0.971 15.999 -11.874 1.00 0.00 O ATOM 881 CB ALA A 58 -0.739 18.707 -11.978 1.00 0.00 C ATOM 0 H ALA A 58 0.464 19.916 -10.198 1.00 0.00 H new ATOM 0 HA ALA A 58 -0.628 17.302 -10.368 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -1.123 17.981 -12.695 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -1.571 19.248 -11.528 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -0.083 19.411 -12.490 1.00 0.00 H new ATOM 887 N ALA A 59 2.345 17.762 -11.622 1.00 0.00 N ATOM 888 CA ALA A 59 3.501 17.083 -12.195 1.00 0.00 C ATOM 889 C ALA A 59 3.967 15.941 -11.299 1.00 0.00 C ATOM 890 O ALA A 59 4.160 14.816 -11.760 1.00 0.00 O ATOM 891 CB ALA A 59 4.633 18.073 -12.423 1.00 0.00 C ATOM 0 H ALA A 59 2.524 18.721 -11.324 1.00 0.00 H new ATOM 0 HA ALA A 59 3.204 16.659 -13.154 1.00 0.00 H new ATOM 0 HB1 ALA A 59 5.490 17.553 -12.851 1.00 0.00 H new ATOM 0 HB2 ALA A 59 4.302 18.853 -13.109 1.00 0.00 H new ATOM 0 HB3 ALA A 59 4.919 18.523 -11.473 1.00 0.00 H new ATOM 897 N ARG A 60 4.148 16.238 -10.016 1.00 0.00 N ATOM 898 CA ARG A 60 4.593 15.235 -9.055 1.00 0.00 C ATOM 899 C ARG A 60 3.511 14.185 -8.823 1.00 0.00 C ATOM 900 O ARG A 60 3.809 13.019 -8.565 1.00 0.00 O ATOM 901 CB ARG A 60 4.969 15.899 -7.729 1.00 0.00 C ATOM 902 CG ARG A 60 6.025 15.138 -6.945 1.00 0.00 C ATOM 903 CD ARG A 60 7.408 15.744 -7.132 1.00 0.00 C ATOM 904 NE ARG A 60 8.030 16.090 -5.857 1.00 0.00 N ATOM 905 CZ ARG A 60 9.336 16.296 -5.701 1.00 0.00 C ATOM 906 NH1 ARG A 60 10.160 16.190 -6.735 1.00 0.00 N ATOM 907 NH2 ARG A 60 9.819 16.608 -4.506 1.00 0.00 N ATOM 0 H ARG A 60 3.993 17.164 -9.618 1.00 0.00 H new ATOM 0 HA ARG A 60 5.472 14.739 -9.467 1.00 0.00 H new ATOM 0 HB2 ARG A 60 5.332 16.907 -7.927 1.00 0.00 H new ATOM 0 HB3 ARG A 60 4.074 15.998 -7.115 1.00 0.00 H new ATOM 0 HG2 ARG A 60 5.766 15.142 -5.886 1.00 0.00 H new ATOM 0 HG3 ARG A 60 6.037 14.097 -7.266 1.00 0.00 H new ATOM 0 HD2 ARG A 60 8.044 15.038 -7.666 1.00 0.00 H new ATOM 0 HD3 ARG A 60 7.332 16.637 -7.752 1.00 0.00 H new ATOM 0 HE ARG A 60 7.429 16.179 -5.038 1.00 0.00 H new ATOM 0 HH11 ARG A 60 9.794 15.949 -7.656 1.00 0.00 H new ATOM 0 HH12 ARG A 60 11.160 16.349 -6.609 1.00 0.00 H new ATOM 0 HH21 ARG A 60 9.190 16.690 -3.707 1.00 0.00 H new ATOM 0 HH22 ARG A 60 10.819 16.766 -4.386 1.00 0.00 H new ATOM 921 N SER A 61 2.253 14.606 -8.917 1.00 0.00 N ATOM 922 CA SER A 61 1.126 13.700 -8.717 1.00 0.00 C ATOM 923 C SER A 61 1.204 12.509 -9.666 1.00 0.00 C ATOM 924 O SER A 61 0.994 11.365 -9.262 1.00 0.00 O ATOM 925 CB SER A 61 -0.195 14.445 -8.923 1.00 0.00 C ATOM 926 OG SER A 61 -0.522 14.535 -10.299 1.00 0.00 O ATOM 0 H SER A 61 1.988 15.568 -9.130 1.00 0.00 H new ATOM 0 HA SER A 61 1.172 13.327 -7.694 1.00 0.00 H new ATOM 0 HB2 SER A 61 -0.994 13.930 -8.389 1.00 0.00 H new ATOM 0 HB3 SER A 61 -0.122 15.446 -8.497 1.00 0.00 H new ATOM 0 HG SER A 61 0.220 14.951 -10.785 1.00 0.00 H new ATOM 932 N ARG A 62 1.508 12.786 -10.931 1.00 0.00 N ATOM 933 CA ARG A 62 1.614 11.739 -11.944 1.00 0.00 C ATOM 934 C ARG A 62 2.555 10.624 -11.494 1.00 0.00 C ATOM 935 O ARG A 62 2.345 9.455 -11.817 1.00 0.00 O ATOM 936 CB ARG A 62 2.103 12.330 -13.267 1.00 0.00 C ATOM 937 CG ARG A 62 1.038 13.123 -14.009 1.00 0.00 C ATOM 938 CD ARG A 62 1.053 12.822 -15.500 1.00 0.00 C ATOM 939 NE ARG A 62 -0.296 12.734 -16.053 1.00 0.00 N ATOM 940 CZ ARG A 62 -0.584 12.154 -17.217 1.00 0.00 C ATOM 941 NH1 ARG A 62 0.379 11.612 -17.952 1.00 0.00 N ATOM 942 NH2 ARG A 62 -1.838 12.117 -17.646 1.00 0.00 N ATOM 0 H ARG A 62 1.686 13.728 -11.280 1.00 0.00 H new ATOM 0 HA ARG A 62 0.622 11.310 -12.085 1.00 0.00 H new ATOM 0 HB2 ARG A 62 2.957 12.978 -13.072 1.00 0.00 H new ATOM 0 HB3 ARG A 62 2.456 11.522 -13.908 1.00 0.00 H new ATOM 0 HG2 ARG A 62 0.056 12.886 -13.599 1.00 0.00 H new ATOM 0 HG3 ARG A 62 1.201 14.189 -13.851 1.00 0.00 H new ATOM 0 HD2 ARG A 62 1.609 13.601 -16.022 1.00 0.00 H new ATOM 0 HD3 ARG A 62 1.579 11.883 -15.675 1.00 0.00 H new ATOM 0 HE ARG A 62 -1.062 13.140 -15.516 1.00 0.00 H new ATOM 0 HH11 ARG A 62 1.345 11.638 -17.626 1.00 0.00 H new ATOM 0 HH12 ARG A 62 0.153 11.169 -18.843 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -2.581 12.533 -17.085 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -2.059 11.673 -18.537 1.00 0.00 H new ATOM 956 N ARG A 63 3.592 10.991 -10.747 1.00 0.00 N ATOM 957 CA ARG A 63 4.561 10.019 -10.256 1.00 0.00 C ATOM 958 C ARG A 63 3.876 8.936 -9.429 1.00 0.00 C ATOM 959 O ARG A 63 4.118 7.744 -9.623 1.00 0.00 O ATOM 960 CB ARG A 63 5.635 10.713 -9.416 1.00 0.00 C ATOM 961 CG ARG A 63 6.481 11.699 -10.206 1.00 0.00 C ATOM 962 CD ARG A 63 7.965 11.512 -9.928 1.00 0.00 C ATOM 963 NE ARG A 63 8.796 12.194 -10.916 1.00 0.00 N ATOM 964 CZ ARG A 63 10.108 12.003 -11.040 1.00 0.00 C ATOM 965 NH1 ARG A 63 10.740 11.154 -10.239 1.00 0.00 N ATOM 966 NH2 ARG A 63 10.790 12.664 -11.965 1.00 0.00 N ATOM 0 H ARG A 63 3.782 11.954 -10.469 1.00 0.00 H new ATOM 0 HA ARG A 63 5.032 9.549 -11.119 1.00 0.00 H new ATOM 0 HB2 ARG A 63 5.156 11.238 -8.590 1.00 0.00 H new ATOM 0 HB3 ARG A 63 6.287 9.957 -8.978 1.00 0.00 H new ATOM 0 HG2 ARG A 63 6.291 11.570 -11.272 1.00 0.00 H new ATOM 0 HG3 ARG A 63 6.188 12.717 -9.950 1.00 0.00 H new ATOM 0 HD2 ARG A 63 8.198 11.892 -8.933 1.00 0.00 H new ATOM 0 HD3 ARG A 63 8.203 10.448 -9.927 1.00 0.00 H new ATOM 0 HE ARG A 63 8.345 12.855 -11.548 1.00 0.00 H new ATOM 0 HH11 ARG A 63 10.221 10.644 -9.524 1.00 0.00 H new ATOM 0 HH12 ARG A 63 11.745 11.011 -10.338 1.00 0.00 H new ATOM 0 HH21 ARG A 63 10.310 13.319 -12.582 1.00 0.00 H new ATOM 0 HH22 ARG A 63 11.795 12.517 -12.060 1.00 0.00 H new ATOM 980 N LEU A 64 3.015 9.358 -8.509 1.00 0.00 N ATOM 981 CA LEU A 64 2.290 8.420 -7.656 1.00 0.00 C ATOM 982 C LEU A 64 1.252 7.652 -8.468 1.00 0.00 C ATOM 983 O LEU A 64 0.985 6.480 -8.205 1.00 0.00 O ATOM 984 CB LEU A 64 1.604 9.148 -6.491 1.00 0.00 C ATOM 985 CG LEU A 64 2.185 10.516 -6.121 1.00 0.00 C ATOM 986 CD1 LEU A 64 1.516 11.056 -4.866 1.00 0.00 C ATOM 987 CD2 LEU A 64 3.693 10.427 -5.927 1.00 0.00 C ATOM 0 H LEU A 64 2.802 10.340 -8.334 1.00 0.00 H new ATOM 0 HA LEU A 64 3.014 7.716 -7.245 1.00 0.00 H new ATOM 0 HB2 LEU A 64 0.551 9.277 -6.739 1.00 0.00 H new ATOM 0 HB3 LEU A 64 1.648 8.506 -5.611 1.00 0.00 H new ATOM 0 HG LEU A 64 1.987 11.205 -6.942 1.00 0.00 H new ATOM 0 HD11 LEU A 64 1.941 12.029 -4.617 1.00 0.00 H new ATOM 0 HD12 LEU A 64 0.445 11.162 -5.041 1.00 0.00 H new ATOM 0 HD13 LEU A 64 1.682 10.365 -4.039 1.00 0.00 H new ATOM 0 HD21 LEU A 64 4.085 11.410 -5.665 1.00 0.00 H new ATOM 0 HD22 LEU A 64 3.916 9.722 -5.126 1.00 0.00 H new ATOM 0 HD23 LEU A 64 4.159 10.085 -6.851 1.00 0.00 H new ATOM 999 N MET A 65 0.670 8.325 -9.456 1.00 0.00 N ATOM 1000 CA MET A 65 -0.339 7.713 -10.309 1.00 0.00 C ATOM 1001 C MET A 65 0.235 6.520 -11.068 1.00 0.00 C ATOM 1002 O MET A 65 -0.479 5.566 -11.376 1.00 0.00 O ATOM 1003 CB MET A 65 -0.892 8.742 -11.295 1.00 0.00 C ATOM 1004 CG MET A 65 -1.506 9.957 -10.620 1.00 0.00 C ATOM 1005 SD MET A 65 -2.822 10.707 -11.598 1.00 0.00 S ATOM 1006 CE MET A 65 -3.986 11.146 -10.311 1.00 0.00 C ATOM 0 H MET A 65 0.882 9.296 -9.685 1.00 0.00 H new ATOM 0 HA MET A 65 -1.148 7.356 -9.672 1.00 0.00 H new ATOM 0 HB2 MET A 65 -0.089 9.070 -11.955 1.00 0.00 H new ATOM 0 HB3 MET A 65 -1.645 8.265 -11.922 1.00 0.00 H new ATOM 0 HG2 MET A 65 -1.903 9.665 -9.648 1.00 0.00 H new ATOM 0 HG3 MET A 65 -0.728 10.698 -10.437 1.00 0.00 H new ATOM 0 HE1 MET A 65 -4.972 11.302 -10.750 1.00 0.00 H new ATOM 0 HE2 MET A 65 -4.039 10.341 -9.578 1.00 0.00 H new ATOM 0 HE3 MET A 65 -3.658 12.062 -9.821 1.00 0.00 H new ATOM 1016 N ALA A 66 1.531 6.576 -11.358 1.00 0.00 N ATOM 1017 CA ALA A 66 2.197 5.496 -12.073 1.00 0.00 C ATOM 1018 C ALA A 66 2.515 4.350 -11.126 1.00 0.00 C ATOM 1019 O ALA A 66 2.457 3.181 -11.505 1.00 0.00 O ATOM 1020 CB ALA A 66 3.465 6.006 -12.742 1.00 0.00 C ATOM 0 H ALA A 66 2.139 7.356 -11.109 1.00 0.00 H new ATOM 0 HA ALA A 66 1.525 5.125 -12.847 1.00 0.00 H new ATOM 0 HB1 ALA A 66 3.951 5.187 -13.272 1.00 0.00 H new ATOM 0 HB2 ALA A 66 3.211 6.796 -13.449 1.00 0.00 H new ATOM 0 HB3 ALA A 66 4.142 6.401 -11.985 1.00 0.00 H new ATOM 1026 N LYS A 67 2.841 4.695 -9.886 1.00 0.00 N ATOM 1027 CA LYS A 67 3.155 3.694 -8.877 1.00 0.00 C ATOM 1028 C LYS A 67 1.897 2.922 -8.493 1.00 0.00 C ATOM 1029 O LYS A 67 1.960 1.748 -8.130 1.00 0.00 O ATOM 1030 CB LYS A 67 3.767 4.354 -7.640 1.00 0.00 C ATOM 1031 CG LYS A 67 4.941 5.265 -7.956 1.00 0.00 C ATOM 1032 CD LYS A 67 5.078 6.378 -6.928 1.00 0.00 C ATOM 1033 CE LYS A 67 6.361 6.242 -6.122 1.00 0.00 C ATOM 1034 NZ LYS A 67 6.983 7.565 -5.838 1.00 0.00 N ATOM 0 H LYS A 67 2.894 5.659 -9.557 1.00 0.00 H new ATOM 0 HA LYS A 67 3.883 2.998 -9.294 1.00 0.00 H new ATOM 0 HB2 LYS A 67 2.997 4.931 -7.128 1.00 0.00 H new ATOM 0 HB3 LYS A 67 4.096 3.578 -6.949 1.00 0.00 H new ATOM 0 HG2 LYS A 67 5.860 4.679 -7.984 1.00 0.00 H new ATOM 0 HG3 LYS A 67 4.809 5.699 -8.947 1.00 0.00 H new ATOM 0 HD2 LYS A 67 5.066 7.344 -7.433 1.00 0.00 H new ATOM 0 HD3 LYS A 67 4.221 6.359 -6.255 1.00 0.00 H new ATOM 0 HE2 LYS A 67 6.147 5.733 -5.182 1.00 0.00 H new ATOM 0 HE3 LYS A 67 7.068 5.618 -6.669 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 7.854 7.428 -5.287 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 7.211 8.041 -6.734 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 6.318 8.152 -5.294 1.00 0.00 H new ATOM 1048 N LEU A 68 0.754 3.596 -8.585 1.00 0.00 N ATOM 1049 CA LEU A 68 -0.528 2.984 -8.258 1.00 0.00 C ATOM 1050 C LEU A 68 -0.987 2.063 -9.385 1.00 0.00 C ATOM 1051 O LEU A 68 -1.746 1.120 -9.161 1.00 0.00 O ATOM 1052 CB LEU A 68 -1.580 4.066 -8.004 1.00 0.00 C ATOM 1053 CG LEU A 68 -2.965 3.546 -7.612 1.00 0.00 C ATOM 1054 CD1 LEU A 68 -3.536 4.359 -6.461 1.00 0.00 C ATOM 1055 CD2 LEU A 68 -3.905 3.581 -8.808 1.00 0.00 C ATOM 0 H LEU A 68 0.691 4.569 -8.884 1.00 0.00 H new ATOM 0 HA LEU A 68 -0.404 2.389 -7.353 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -1.219 4.724 -7.213 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -1.678 4.674 -8.904 1.00 0.00 H new ATOM 0 HG LEU A 68 -2.863 2.512 -7.283 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -4.521 3.974 -6.197 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -2.874 4.284 -5.599 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -3.623 5.403 -6.761 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -4.885 3.208 -8.511 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -4.000 4.606 -9.166 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -3.504 2.954 -9.604 1.00 0.00 H new ATOM 1067 N ALA A 69 -0.520 2.344 -10.600 1.00 0.00 N ATOM 1068 CA ALA A 69 -0.879 1.544 -11.764 1.00 0.00 C ATOM 1069 C ALA A 69 -0.536 0.073 -11.547 1.00 0.00 C ATOM 1070 O ALA A 69 -1.204 -0.816 -12.076 1.00 0.00 O ATOM 1071 CB ALA A 69 -0.172 2.074 -13.003 1.00 0.00 C ATOM 0 H ALA A 69 0.109 3.121 -10.802 1.00 0.00 H new ATOM 0 HA ALA A 69 -1.956 1.621 -11.910 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -0.448 1.468 -13.866 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -0.468 3.109 -13.176 1.00 0.00 H new ATOM 0 HB3 ALA A 69 0.907 2.025 -12.855 1.00 0.00 H new ATOM 1077 N ASP A 70 0.512 -0.177 -10.768 1.00 0.00 N ATOM 1078 CA ASP A 70 0.946 -1.540 -10.480 1.00 0.00 C ATOM 1079 C ASP A 70 0.401 -2.022 -9.135 1.00 0.00 C ATOM 1080 O ASP A 70 0.894 -2.998 -8.571 1.00 0.00 O ATOM 1081 CB ASP A 70 2.475 -1.618 -10.483 1.00 0.00 C ATOM 1082 CG ASP A 70 2.994 -2.746 -11.352 1.00 0.00 C ATOM 1083 OD1 ASP A 70 2.379 -3.017 -12.404 1.00 0.00 O ATOM 1084 OD2 ASP A 70 4.017 -3.358 -10.981 1.00 0.00 O ATOM 0 H ASP A 70 1.077 0.547 -10.324 1.00 0.00 H new ATOM 0 HA ASP A 70 0.551 -2.191 -11.260 1.00 0.00 H new ATOM 0 HB2 ASP A 70 2.884 -0.672 -10.838 1.00 0.00 H new ATOM 0 HB3 ASP A 70 2.831 -1.756 -9.462 1.00 0.00 H new ATOM 1089 N PHE A 71 -0.613 -1.329 -8.625 1.00 0.00 N ATOM 1090 CA PHE A 71 -1.220 -1.686 -7.348 1.00 0.00 C ATOM 1091 C PHE A 71 -2.026 -2.976 -7.460 1.00 0.00 C ATOM 1092 O PHE A 71 -2.730 -3.197 -8.445 1.00 0.00 O ATOM 1093 CB PHE A 71 -2.124 -0.553 -6.862 1.00 0.00 C ATOM 1094 CG PHE A 71 -2.440 -0.616 -5.395 1.00 0.00 C ATOM 1095 CD1 PHE A 71 -1.597 -0.025 -4.467 1.00 0.00 C ATOM 1096 CD2 PHE A 71 -3.580 -1.263 -4.943 1.00 0.00 C ATOM 1097 CE1 PHE A 71 -1.884 -0.078 -3.117 1.00 0.00 C ATOM 1098 CE2 PHE A 71 -3.871 -1.319 -3.593 1.00 0.00 C ATOM 1099 CZ PHE A 71 -3.023 -0.725 -2.679 1.00 0.00 C ATOM 0 H PHE A 71 -1.032 -0.516 -9.078 1.00 0.00 H new ATOM 0 HA PHE A 71 -0.417 -1.846 -6.628 1.00 0.00 H new ATOM 0 HB2 PHE A 71 -1.644 0.401 -7.080 1.00 0.00 H new ATOM 0 HB3 PHE A 71 -3.056 -0.577 -7.426 1.00 0.00 H new ATOM 0 HD1 PHE A 71 -0.705 0.483 -4.803 1.00 0.00 H new ATOM 0 HD2 PHE A 71 -4.248 -1.728 -5.653 1.00 0.00 H new ATOM 0 HE1 PHE A 71 -1.218 0.386 -2.404 1.00 0.00 H new ATOM 0 HE2 PHE A 71 -4.761 -1.827 -3.253 1.00 0.00 H new ATOM 0 HZ PHE A 71 -3.250 -0.766 -1.624 1.00 0.00 H new ATOM 1109 N ALA A 72 -1.923 -3.820 -6.438 1.00 0.00 N ATOM 1110 CA ALA A 72 -2.647 -5.085 -6.411 1.00 0.00 C ATOM 1111 C ALA A 72 -2.264 -5.976 -7.589 1.00 0.00 C ATOM 1112 O ALA A 72 -3.079 -6.761 -8.074 1.00 0.00 O ATOM 1113 CB ALA A 72 -4.146 -4.830 -6.410 1.00 0.00 C ATOM 0 H ALA A 72 -1.344 -3.650 -5.616 1.00 0.00 H new ATOM 0 HA ALA A 72 -2.371 -5.608 -5.496 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -4.677 -5.782 -6.390 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -4.415 -4.246 -5.530 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -4.422 -4.280 -7.309 1.00 0.00 H new ATOM 1119 N VAL A 73 -1.022 -5.856 -8.042 1.00 0.00 N ATOM 1120 CA VAL A 73 -0.538 -6.660 -9.158 1.00 0.00 C ATOM 1121 C VAL A 73 0.297 -7.835 -8.659 1.00 0.00 C ATOM 1122 O VAL A 73 0.856 -7.791 -7.562 1.00 0.00 O ATOM 1123 CB VAL A 73 0.297 -5.815 -10.142 1.00 0.00 C ATOM 1124 CG1 VAL A 73 0.835 -6.677 -11.276 1.00 0.00 C ATOM 1125 CG2 VAL A 73 -0.533 -4.664 -10.689 1.00 0.00 C ATOM 0 H VAL A 73 -0.333 -5.211 -7.655 1.00 0.00 H new ATOM 0 HA VAL A 73 -1.414 -7.041 -9.684 1.00 0.00 H new ATOM 0 HB VAL A 73 1.148 -5.401 -9.601 1.00 0.00 H new ATOM 0 HG11 VAL A 73 1.420 -6.059 -11.957 1.00 0.00 H new ATOM 0 HG12 VAL A 73 1.468 -7.464 -10.866 1.00 0.00 H new ATOM 0 HG13 VAL A 73 0.003 -7.126 -11.818 1.00 0.00 H new ATOM 0 HG21 VAL A 73 0.070 -4.077 -11.382 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -1.404 -5.060 -11.212 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -0.861 -4.029 -9.866 1.00 0.00 H new ATOM 1135 N GLU A 74 0.376 -8.887 -9.467 1.00 0.00 N ATOM 1136 CA GLU A 74 1.139 -10.075 -9.104 1.00 0.00 C ATOM 1137 C GLU A 74 2.636 -9.781 -9.101 1.00 0.00 C ATOM 1138 O GLU A 74 3.299 -9.868 -10.134 1.00 0.00 O ATOM 1139 CB GLU A 74 0.837 -11.220 -10.072 1.00 0.00 C ATOM 1140 CG GLU A 74 -0.589 -11.739 -9.974 1.00 0.00 C ATOM 1141 CD GLU A 74 -0.690 -13.220 -10.287 1.00 0.00 C ATOM 1142 OE1 GLU A 74 -0.661 -13.578 -11.483 1.00 0.00 O ATOM 1143 OE2 GLU A 74 -0.800 -14.021 -9.335 1.00 0.00 O ATOM 0 H GLU A 74 -0.079 -8.941 -10.378 1.00 0.00 H new ATOM 0 HA GLU A 74 0.841 -10.371 -8.098 1.00 0.00 H new ATOM 0 HB2 GLU A 74 1.022 -10.881 -11.091 1.00 0.00 H new ATOM 0 HB3 GLU A 74 1.528 -12.041 -9.878 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -0.971 -11.556 -8.970 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -1.224 -11.181 -10.663 1.00 0.00 H new ATOM 1150 N GLN A 75 3.162 -9.434 -7.930 1.00 0.00 N ATOM 1151 CA GLN A 75 4.580 -9.130 -7.789 1.00 0.00 C ATOM 1152 C GLN A 75 5.220 -10.019 -6.728 1.00 0.00 C ATOM 1153 O GLN A 75 4.571 -10.410 -5.758 1.00 0.00 O ATOM 1154 CB GLN A 75 4.776 -7.657 -7.423 1.00 0.00 C ATOM 1155 CG GLN A 75 4.080 -6.696 -8.373 1.00 0.00 C ATOM 1156 CD GLN A 75 4.844 -5.399 -8.551 1.00 0.00 C ATOM 1157 OE1 GLN A 75 5.629 -5.250 -9.487 1.00 0.00 O ATOM 1158 NE2 GLN A 75 4.617 -4.451 -7.648 1.00 0.00 N ATOM 0 H GLN A 75 2.626 -9.357 -7.065 1.00 0.00 H new ATOM 0 HA GLN A 75 5.065 -9.325 -8.745 1.00 0.00 H new ATOM 0 HB2 GLN A 75 4.403 -7.490 -6.413 1.00 0.00 H new ATOM 0 HB3 GLN A 75 5.843 -7.433 -7.410 1.00 0.00 H new ATOM 0 HG2 GLN A 75 3.955 -7.176 -9.343 1.00 0.00 H new ATOM 0 HG3 GLN A 75 3.081 -6.477 -7.995 1.00 0.00 H new ATOM 0 HE21 GLN A 75 3.957 -4.618 -6.888 1.00 0.00 H new ATOM 0 HE22 GLN A 75 5.102 -3.556 -7.715 1.00 0.00 H new ATOM 1167 N GLU A 76 6.496 -10.337 -6.920 1.00 0.00 N ATOM 1168 CA GLU A 76 7.221 -11.182 -5.978 1.00 0.00 C ATOM 1169 C GLU A 76 7.607 -10.401 -4.728 1.00 0.00 C ATOM 1170 O GLU A 76 8.324 -9.403 -4.805 1.00 0.00 O ATOM 1171 CB GLU A 76 8.475 -11.761 -6.636 1.00 0.00 C ATOM 1172 CG GLU A 76 8.931 -13.075 -6.025 1.00 0.00 C ATOM 1173 CD GLU A 76 8.151 -14.264 -6.549 1.00 0.00 C ATOM 1174 OE1 GLU A 76 7.742 -14.233 -7.729 1.00 0.00 O ATOM 1175 OE2 GLU A 76 7.947 -15.226 -5.779 1.00 0.00 O ATOM 0 H GLU A 76 7.049 -10.023 -7.718 1.00 0.00 H new ATOM 0 HA GLU A 76 6.562 -11.999 -5.685 1.00 0.00 H new ATOM 0 HB2 GLU A 76 8.281 -11.912 -7.698 1.00 0.00 H new ATOM 0 HB3 GLU A 76 9.284 -11.034 -6.559 1.00 0.00 H new ATOM 0 HG2 GLU A 76 9.991 -13.220 -6.234 1.00 0.00 H new ATOM 0 HG3 GLU A 76 8.824 -13.024 -4.941 1.00 0.00 H new ATOM 1182 N VAL A 77 7.132 -10.864 -3.577 1.00 0.00 N ATOM 1183 CA VAL A 77 7.432 -10.210 -2.311 1.00 0.00 C ATOM 1184 C VAL A 77 8.798 -10.632 -1.795 1.00 0.00 C ATOM 1185 O VAL A 77 9.328 -11.672 -2.186 1.00 0.00 O ATOM 1186 CB VAL A 77 6.362 -10.521 -1.245 1.00 0.00 C ATOM 1187 CG1 VAL A 77 6.651 -9.764 0.044 1.00 0.00 C ATOM 1188 CG2 VAL A 77 4.976 -10.183 -1.771 1.00 0.00 C ATOM 0 H VAL A 77 6.538 -11.689 -3.496 1.00 0.00 H new ATOM 0 HA VAL A 77 7.433 -9.136 -2.498 1.00 0.00 H new ATOM 0 HB VAL A 77 6.394 -11.588 -1.024 1.00 0.00 H new ATOM 0 HG11 VAL A 77 5.884 -9.997 0.783 1.00 0.00 H new ATOM 0 HG12 VAL A 77 7.627 -10.059 0.428 1.00 0.00 H new ATOM 0 HG13 VAL A 77 6.649 -8.692 -0.155 1.00 0.00 H new ATOM 0 HG21 VAL A 77 4.232 -10.408 -1.007 1.00 0.00 H new ATOM 0 HG22 VAL A 77 4.930 -9.123 -2.021 1.00 0.00 H new ATOM 0 HG23 VAL A 77 4.771 -10.775 -2.663 1.00 0.00 H new ATOM 1198 N THR A 78 9.372 -9.811 -0.925 1.00 0.00 N ATOM 1199 CA THR A 78 10.686 -10.094 -0.369 1.00 0.00 C ATOM 1200 C THR A 78 10.873 -9.409 0.979 1.00 0.00 C ATOM 1201 O THR A 78 10.188 -8.434 1.289 1.00 0.00 O ATOM 1202 CB THR A 78 11.767 -9.627 -1.339 1.00 0.00 C ATOM 1203 OG1 THR A 78 11.233 -9.440 -2.639 1.00 0.00 O ATOM 1204 CG2 THR A 78 12.917 -10.594 -1.452 1.00 0.00 C ATOM 0 H THR A 78 8.948 -8.946 -0.590 1.00 0.00 H new ATOM 0 HA THR A 78 10.768 -11.170 -0.218 1.00 0.00 H new ATOM 0 HB THR A 78 12.138 -8.688 -0.929 1.00 0.00 H new ATOM 0 HG1 THR A 78 11.943 -9.139 -3.244 1.00 0.00 H new ATOM 0 HG21 THR A 78 13.652 -10.205 -2.157 1.00 0.00 H new ATOM 0 HG22 THR A 78 13.383 -10.721 -0.475 1.00 0.00 H new ATOM 0 HG23 THR A 78 12.549 -11.557 -1.806 1.00 0.00 H new ATOM 1212 N ALA A 79 11.816 -9.911 1.772 1.00 0.00 N ATOM 1213 CA ALA A 79 12.090 -9.322 3.073 1.00 0.00 C ATOM 1214 C ALA A 79 12.604 -7.902 2.907 1.00 0.00 C ATOM 1215 O ALA A 79 13.223 -7.571 1.894 1.00 0.00 O ATOM 1216 CB ALA A 79 13.084 -10.164 3.855 1.00 0.00 C ATOM 0 H ALA A 79 12.396 -10.716 1.537 1.00 0.00 H new ATOM 0 HA ALA A 79 11.159 -9.294 3.639 1.00 0.00 H new ATOM 0 HB1 ALA A 79 13.271 -9.700 4.824 1.00 0.00 H new ATOM 0 HB2 ALA A 79 12.676 -11.164 4.004 1.00 0.00 H new ATOM 0 HB3 ALA A 79 14.019 -10.233 3.299 1.00 0.00 H new ATOM 1222 N GLY A 80 12.322 -7.058 3.887 1.00 0.00 N ATOM 1223 CA GLY A 80 12.739 -5.674 3.809 1.00 0.00 C ATOM 1224 C GLY A 80 11.648 -4.811 3.213 1.00 0.00 C ATOM 1225 O GLY A 80 11.507 -3.640 3.563 1.00 0.00 O ATOM 0 H GLY A 80 11.812 -7.306 4.735 1.00 0.00 H new ATOM 0 HA2 GLY A 80 12.992 -5.310 4.805 1.00 0.00 H new ATOM 0 HA3 GLY A 80 13.641 -5.596 3.202 1.00 0.00 H new ATOM 1229 N ASP A 81 10.856 -5.408 2.323 1.00 0.00 N ATOM 1230 CA ASP A 81 9.751 -4.707 1.690 1.00 0.00 C ATOM 1231 C ASP A 81 8.628 -4.496 2.703 1.00 0.00 C ATOM 1232 O ASP A 81 8.867 -4.519 3.909 1.00 0.00 O ATOM 1233 CB ASP A 81 9.244 -5.502 0.483 1.00 0.00 C ATOM 1234 CG ASP A 81 10.371 -5.944 -0.431 1.00 0.00 C ATOM 1235 OD1 ASP A 81 11.317 -6.593 0.064 1.00 0.00 O ATOM 1236 OD2 ASP A 81 10.309 -5.639 -1.640 1.00 0.00 O ATOM 0 H ASP A 81 10.964 -6.378 2.027 1.00 0.00 H new ATOM 0 HA ASP A 81 10.096 -3.734 1.340 1.00 0.00 H new ATOM 0 HB2 ASP A 81 8.697 -6.378 0.832 1.00 0.00 H new ATOM 0 HB3 ASP A 81 8.540 -4.891 -0.082 1.00 0.00 H new ATOM 1241 N ARG A 82 7.407 -4.291 2.220 1.00 0.00 N ATOM 1242 CA ARG A 82 6.276 -4.081 3.114 1.00 0.00 C ATOM 1243 C ARG A 82 4.980 -4.624 2.520 1.00 0.00 C ATOM 1244 O ARG A 82 4.828 -4.712 1.302 1.00 0.00 O ATOM 1245 CB ARG A 82 6.116 -2.592 3.418 1.00 0.00 C ATOM 1246 CG ARG A 82 6.943 -2.118 4.603 1.00 0.00 C ATOM 1247 CD ARG A 82 7.601 -0.775 4.328 1.00 0.00 C ATOM 1248 NE ARG A 82 8.690 -0.885 3.358 1.00 0.00 N ATOM 1249 CZ ARG A 82 8.570 -0.598 2.061 1.00 0.00 C ATOM 1250 NH1 ARG A 82 7.410 -0.184 1.564 1.00 0.00 N ATOM 1251 NH2 ARG A 82 9.617 -0.724 1.258 1.00 0.00 N ATOM 0 H ARG A 82 7.177 -4.266 1.226 1.00 0.00 H new ATOM 0 HA ARG A 82 6.480 -4.625 4.036 1.00 0.00 H new ATOM 0 HB2 ARG A 82 6.399 -2.018 2.536 1.00 0.00 H new ATOM 0 HB3 ARG A 82 5.064 -2.381 3.612 1.00 0.00 H new ATOM 0 HG2 ARG A 82 6.305 -2.037 5.483 1.00 0.00 H new ATOM 0 HG3 ARG A 82 7.709 -2.859 4.832 1.00 0.00 H new ATOM 0 HD2 ARG A 82 6.853 -0.075 3.955 1.00 0.00 H new ATOM 0 HD3 ARG A 82 7.987 -0.363 5.260 1.00 0.00 H new ATOM 0 HE ARG A 82 9.599 -1.201 3.695 1.00 0.00 H new ATOM 0 HH11 ARG A 82 6.600 -0.083 2.176 1.00 0.00 H new ATOM 0 HH12 ARG A 82 7.329 0.033 0.571 1.00 0.00 H new ATOM 0 HH21 ARG A 82 10.512 -1.040 1.632 1.00 0.00 H new ATOM 0 HH22 ARG A 82 9.528 -0.505 0.266 1.00 0.00 H new ATOM 1265 N VAL A 83 4.049 -4.976 3.399 1.00 0.00 N ATOM 1266 CA VAL A 83 2.754 -5.500 2.985 1.00 0.00 C ATOM 1267 C VAL A 83 1.641 -4.539 3.387 1.00 0.00 C ATOM 1268 O VAL A 83 1.465 -4.241 4.568 1.00 0.00 O ATOM 1269 CB VAL A 83 2.477 -6.877 3.617 1.00 0.00 C ATOM 1270 CG1 VAL A 83 1.161 -7.449 3.109 1.00 0.00 C ATOM 1271 CG2 VAL A 83 3.625 -7.837 3.336 1.00 0.00 C ATOM 0 H VAL A 83 4.169 -4.907 4.410 1.00 0.00 H new ATOM 0 HA VAL A 83 2.778 -5.609 1.901 1.00 0.00 H new ATOM 0 HB VAL A 83 2.397 -6.747 4.696 1.00 0.00 H new ATOM 0 HG11 VAL A 83 0.986 -8.422 3.568 1.00 0.00 H new ATOM 0 HG12 VAL A 83 0.346 -6.773 3.368 1.00 0.00 H new ATOM 0 HG13 VAL A 83 1.208 -7.562 2.026 1.00 0.00 H new ATOM 0 HG21 VAL A 83 3.410 -8.804 3.791 1.00 0.00 H new ATOM 0 HG22 VAL A 83 3.741 -7.960 2.259 1.00 0.00 H new ATOM 0 HG23 VAL A 83 4.547 -7.435 3.757 1.00 0.00 H new ATOM 1281 N VAL A 84 0.899 -4.047 2.402 1.00 0.00 N ATOM 1282 CA VAL A 84 -0.186 -3.112 2.669 1.00 0.00 C ATOM 1283 C VAL A 84 -1.530 -3.828 2.765 1.00 0.00 C ATOM 1284 O VAL A 84 -1.914 -4.578 1.868 1.00 0.00 O ATOM 1285 CB VAL A 84 -0.264 -2.020 1.586 1.00 0.00 C ATOM 1286 CG1 VAL A 84 -0.586 -2.626 0.228 1.00 0.00 C ATOM 1287 CG2 VAL A 84 -1.290 -0.962 1.966 1.00 0.00 C ATOM 0 H VAL A 84 1.028 -4.278 1.417 1.00 0.00 H new ATOM 0 HA VAL A 84 0.032 -2.644 3.629 1.00 0.00 H new ATOM 0 HB VAL A 84 0.711 -1.539 1.515 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -0.636 -1.835 -0.521 1.00 0.00 H new ATOM 0 HG12 VAL A 84 0.193 -3.337 -0.047 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -1.546 -3.140 0.277 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -1.331 -0.199 1.189 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -2.270 -1.427 2.070 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -1.005 -0.501 2.912 1.00 0.00 H new ATOM 1297 N VAL A 85 -2.241 -3.584 3.862 1.00 0.00 N ATOM 1298 CA VAL A 85 -3.546 -4.196 4.086 1.00 0.00 C ATOM 1299 C VAL A 85 -4.657 -3.154 3.977 1.00 0.00 C ATOM 1300 O VAL A 85 -4.574 -2.082 4.576 1.00 0.00 O ATOM 1301 CB VAL A 85 -3.624 -4.875 5.468 1.00 0.00 C ATOM 1302 CG1 VAL A 85 -4.735 -5.912 5.489 1.00 0.00 C ATOM 1303 CG2 VAL A 85 -2.291 -5.511 5.836 1.00 0.00 C ATOM 0 H VAL A 85 -1.934 -2.965 4.612 1.00 0.00 H new ATOM 0 HA VAL A 85 -3.680 -4.955 3.315 1.00 0.00 H new ATOM 0 HB VAL A 85 -3.851 -4.110 6.211 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -4.776 -6.381 6.472 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -5.689 -5.428 5.278 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -4.538 -6.671 4.732 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -2.371 -5.984 6.815 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -2.028 -6.262 5.091 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -1.518 -4.743 5.866 1.00 0.00 H new ATOM 1313 N ILE A 86 -5.692 -3.471 3.204 1.00 0.00 N ATOM 1314 CA ILE A 86 -6.811 -2.552 3.015 1.00 0.00 C ATOM 1315 C ILE A 86 -7.662 -2.419 4.277 1.00 0.00 C ATOM 1316 O ILE A 86 -8.521 -1.542 4.361 1.00 0.00 O ATOM 1317 CB ILE A 86 -7.711 -2.986 1.843 1.00 0.00 C ATOM 1318 CG1 ILE A 86 -8.183 -4.427 2.031 1.00 0.00 C ATOM 1319 CG2 ILE A 86 -6.969 -2.835 0.524 1.00 0.00 C ATOM 1320 CD1 ILE A 86 -9.221 -4.857 1.017 1.00 0.00 C ATOM 0 H ILE A 86 -5.779 -4.354 2.700 1.00 0.00 H new ATOM 0 HA ILE A 86 -6.370 -1.582 2.786 1.00 0.00 H new ATOM 0 HB ILE A 86 -8.589 -2.340 1.824 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -7.324 -5.094 1.965 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -8.597 -4.538 3.033 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -7.617 -3.145 -0.296 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -6.682 -1.793 0.385 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -6.075 -3.459 0.536 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -9.511 -5.890 1.209 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -10.097 -4.213 1.097 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -8.804 -4.778 0.013 1.00 0.00 H new ATOM 1332 N ASP A 87 -7.415 -3.278 5.264 1.00 0.00 N ATOM 1333 CA ASP A 87 -8.160 -3.227 6.516 1.00 0.00 C ATOM 1334 C ASP A 87 -7.263 -2.723 7.642 1.00 0.00 C ATOM 1335 O ASP A 87 -7.660 -1.869 8.434 1.00 0.00 O ATOM 1336 CB ASP A 87 -8.714 -4.608 6.868 1.00 0.00 C ATOM 1337 CG ASP A 87 -9.850 -5.024 5.954 1.00 0.00 C ATOM 1338 OD1 ASP A 87 -9.573 -5.650 4.910 1.00 0.00 O ATOM 1339 OD2 ASP A 87 -11.017 -4.724 6.284 1.00 0.00 O ATOM 0 H ASP A 87 -6.709 -4.013 5.220 1.00 0.00 H new ATOM 0 HA ASP A 87 -8.995 -2.538 6.392 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -7.913 -5.345 6.806 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -9.064 -4.604 7.900 1.00 0.00 H new ATOM 1344 N GLY A 88 -6.044 -3.248 7.692 1.00 0.00 N ATOM 1345 CA GLY A 88 -5.092 -2.832 8.705 1.00 0.00 C ATOM 1346 C GLY A 88 -4.355 -4.004 9.328 1.00 0.00 C ATOM 1347 O GLY A 88 -4.528 -5.149 8.908 1.00 0.00 O ATOM 0 H GLY A 88 -5.697 -3.957 7.046 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -4.369 -2.148 8.260 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -5.615 -2.280 9.486 1.00 0.00 H new ATOM 1351 N LEU A 89 -3.541 -3.717 10.339 1.00 0.00 N ATOM 1352 CA LEU A 89 -2.780 -4.750 11.036 1.00 0.00 C ATOM 1353 C LEU A 89 -1.973 -4.144 12.180 1.00 0.00 C ATOM 1354 O LEU A 89 -0.971 -3.465 11.955 1.00 0.00 O ATOM 1355 CB LEU A 89 -1.848 -5.481 10.065 1.00 0.00 C ATOM 1356 CG LEU A 89 -1.315 -6.826 10.565 1.00 0.00 C ATOM 1357 CD1 LEU A 89 -2.461 -7.777 10.870 1.00 0.00 C ATOM 1358 CD2 LEU A 89 -0.370 -7.437 9.542 1.00 0.00 C ATOM 0 H LEU A 89 -3.391 -2.773 10.696 1.00 0.00 H new ATOM 0 HA LEU A 89 -3.487 -5.469 11.450 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -2.381 -5.644 9.128 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -1.001 -4.833 9.841 1.00 0.00 H new ATOM 0 HG LEU A 89 -0.760 -6.654 11.487 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -2.061 -8.727 11.224 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -3.099 -7.343 11.640 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -3.046 -7.944 9.965 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -0.000 -8.393 9.913 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -0.902 -7.594 8.603 1.00 0.00 H new ATOM 0 HD23 LEU A 89 0.470 -6.763 9.375 1.00 0.00 H new ATOM 1370 N ASP A 90 -2.421 -4.388 13.407 1.00 0.00 N ATOM 1371 CA ASP A 90 -1.744 -3.860 14.587 1.00 0.00 C ATOM 1372 C ASP A 90 -0.854 -4.918 15.234 1.00 0.00 C ATOM 1373 O ASP A 90 0.124 -4.591 15.907 1.00 0.00 O ATOM 1374 CB ASP A 90 -2.768 -3.349 15.602 1.00 0.00 C ATOM 1375 CG ASP A 90 -3.798 -4.403 15.964 1.00 0.00 C ATOM 1376 OD1 ASP A 90 -4.507 -4.878 15.052 1.00 0.00 O ATOM 1377 OD2 ASP A 90 -3.896 -4.749 17.159 1.00 0.00 O ATOM 0 H ASP A 90 -3.249 -4.947 13.611 1.00 0.00 H new ATOM 0 HA ASP A 90 -1.112 -3.032 14.267 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -2.250 -3.025 16.505 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -3.275 -2.474 15.194 1.00 0.00 H new ATOM 1382 N ARG A 91 -1.199 -6.184 15.031 1.00 0.00 N ATOM 1383 CA ARG A 91 -0.429 -7.285 15.599 1.00 0.00 C ATOM 1384 C ARG A 91 0.418 -7.968 14.531 1.00 0.00 C ATOM 1385 O ARG A 91 0.076 -7.950 13.348 1.00 0.00 O ATOM 1386 CB ARG A 91 -1.362 -8.304 16.257 1.00 0.00 C ATOM 1387 CG ARG A 91 -2.392 -8.891 15.306 1.00 0.00 C ATOM 1388 CD ARG A 91 -3.653 -8.041 15.257 1.00 0.00 C ATOM 1389 NE ARG A 91 -4.802 -8.730 15.840 1.00 0.00 N ATOM 1390 CZ ARG A 91 -5.519 -9.648 15.199 1.00 0.00 C ATOM 1391 NH1 ARG A 91 -5.210 -9.995 13.955 1.00 0.00 N ATOM 1392 NH2 ARG A 91 -6.552 -10.223 15.802 1.00 0.00 N ATOM 0 H ARG A 91 -2.006 -6.474 14.478 1.00 0.00 H new ATOM 0 HA ARG A 91 0.239 -6.873 16.356 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -0.764 -9.113 16.676 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -1.879 -7.826 17.089 1.00 0.00 H new ATOM 0 HG2 ARG A 91 -1.964 -8.967 14.306 1.00 0.00 H new ATOM 0 HG3 ARG A 91 -2.646 -9.903 15.622 1.00 0.00 H new ATOM 0 HD2 ARG A 91 -3.481 -7.107 15.792 1.00 0.00 H new ATOM 0 HD3 ARG A 91 -3.874 -7.780 14.222 1.00 0.00 H new ATOM 0 HE ARG A 91 -5.070 -8.493 16.795 1.00 0.00 H new ATOM 0 HH11 ARG A 91 -4.418 -9.556 13.485 1.00 0.00 H new ATOM 0 HH12 ARG A 91 -5.765 -10.700 13.470 1.00 0.00 H new ATOM 0 HH21 ARG A 91 -6.796 -9.961 16.757 1.00 0.00 H new ATOM 0 HH22 ARG A 91 -7.102 -10.927 15.310 1.00 0.00 H new ATOM 1406 N MET A 92 1.524 -8.567 14.956 1.00 0.00 N ATOM 1407 CA MET A 92 2.422 -9.256 14.037 1.00 0.00 C ATOM 1408 C MET A 92 1.778 -10.533 13.506 1.00 0.00 C ATOM 1409 O MET A 92 1.183 -11.301 14.263 1.00 0.00 O ATOM 1410 CB MET A 92 3.743 -9.589 14.734 1.00 0.00 C ATOM 1411 CG MET A 92 4.761 -10.251 13.820 1.00 0.00 C ATOM 1412 SD MET A 92 6.426 -10.236 14.513 1.00 0.00 S ATOM 1413 CE MET A 92 6.118 -10.914 16.141 1.00 0.00 C ATOM 0 H MET A 92 1.821 -8.590 15.932 1.00 0.00 H new ATOM 0 HA MET A 92 2.621 -8.592 13.196 1.00 0.00 H new ATOM 0 HB2 MET A 92 4.172 -8.672 15.139 1.00 0.00 H new ATOM 0 HB3 MET A 92 3.543 -10.248 15.579 1.00 0.00 H new ATOM 0 HG2 MET A 92 4.459 -11.281 13.631 1.00 0.00 H new ATOM 0 HG3 MET A 92 4.767 -9.739 12.858 1.00 0.00 H new ATOM 0 HE1 MET A 92 7.060 -11.233 16.586 1.00 0.00 H new ATOM 0 HE2 MET A 92 5.658 -10.153 16.771 1.00 0.00 H new ATOM 0 HE3 MET A 92 5.448 -11.770 16.058 1.00 0.00 H new ATOM 1423 N ALA A 93 1.899 -10.752 12.202 1.00 0.00 N ATOM 1424 CA ALA A 93 1.325 -11.936 11.572 1.00 0.00 C ATOM 1425 C ALA A 93 2.198 -12.431 10.424 1.00 0.00 C ATOM 1426 O ALA A 93 2.885 -11.646 9.774 1.00 0.00 O ATOM 1427 CB ALA A 93 -0.082 -11.639 11.075 1.00 0.00 C ATOM 0 H ALA A 93 2.388 -10.127 11.561 1.00 0.00 H new ATOM 0 HA ALA A 93 1.277 -12.726 12.322 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -0.498 -12.531 10.607 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -0.710 -11.343 11.915 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -0.047 -10.830 10.346 1.00 0.00 H new ATOM 1433 N HIS A 94 2.165 -13.739 10.176 1.00 0.00 N ATOM 1434 CA HIS A 94 2.955 -14.328 9.101 1.00 0.00 C ATOM 1435 C HIS A 94 2.229 -14.209 7.766 1.00 0.00 C ATOM 1436 O HIS A 94 1.000 -14.159 7.716 1.00 0.00 O ATOM 1437 CB HIS A 94 3.286 -15.797 9.410 1.00 0.00 C ATOM 1438 CG HIS A 94 2.486 -16.795 8.624 1.00 0.00 C ATOM 1439 ND1 HIS A 94 1.192 -17.148 8.945 1.00 0.00 N ATOM 1440 CD2 HIS A 94 2.807 -17.513 7.521 1.00 0.00 C ATOM 1441 CE1 HIS A 94 0.752 -18.039 8.076 1.00 0.00 C ATOM 1442 NE2 HIS A 94 1.712 -18.277 7.201 1.00 0.00 N ATOM 0 H HIS A 94 1.602 -14.407 10.703 1.00 0.00 H new ATOM 0 HA HIS A 94 3.892 -13.775 9.028 1.00 0.00 H new ATOM 0 HB2 HIS A 94 4.345 -15.966 9.216 1.00 0.00 H new ATOM 0 HB3 HIS A 94 3.124 -15.977 10.473 1.00 0.00 H new ATOM 0 HD2 HIS A 94 3.748 -17.489 6.992 1.00 0.00 H new ATOM 0 HE1 HIS A 94 -0.227 -18.496 8.080 1.00 0.00 H new ATOM 0 HE2 HIS A 94 1.650 -18.924 6.415 1.00 0.00 H new ATOM 1451 N PHE A 95 3.001 -14.166 6.688 1.00 0.00 N ATOM 1452 CA PHE A 95 2.437 -14.054 5.352 1.00 0.00 C ATOM 1453 C PHE A 95 2.611 -15.356 4.575 1.00 0.00 C ATOM 1454 O PHE A 95 1.786 -15.695 3.727 1.00 0.00 O ATOM 1455 CB PHE A 95 3.096 -12.897 4.596 1.00 0.00 C ATOM 1456 CG PHE A 95 2.648 -12.775 3.166 1.00 0.00 C ATOM 1457 CD1 PHE A 95 1.321 -12.519 2.861 1.00 0.00 C ATOM 1458 CD2 PHE A 95 3.555 -12.917 2.129 1.00 0.00 C ATOM 1459 CE1 PHE A 95 0.906 -12.407 1.548 1.00 0.00 C ATOM 1460 CE2 PHE A 95 3.146 -12.806 0.813 1.00 0.00 C ATOM 1461 CZ PHE A 95 1.820 -12.551 0.522 1.00 0.00 C ATOM 0 H PHE A 95 4.020 -14.207 6.714 1.00 0.00 H new ATOM 0 HA PHE A 95 1.370 -13.854 5.449 1.00 0.00 H new ATOM 0 HB2 PHE A 95 2.878 -11.964 5.116 1.00 0.00 H new ATOM 0 HB3 PHE A 95 4.178 -13.030 4.618 1.00 0.00 H new ATOM 0 HD1 PHE A 95 0.602 -12.406 3.659 1.00 0.00 H new ATOM 0 HD2 PHE A 95 4.593 -13.117 2.351 1.00 0.00 H new ATOM 0 HE1 PHE A 95 -0.131 -12.207 1.324 1.00 0.00 H new ATOM 0 HE2 PHE A 95 3.863 -12.919 0.013 1.00 0.00 H new ATOM 0 HZ PHE A 95 1.498 -12.464 -0.505 1.00 0.00 H new ATOM 1471 N LYS A 96 3.688 -16.084 4.866 1.00 0.00 N ATOM 1472 CA LYS A 96 3.957 -17.346 4.184 1.00 0.00 C ATOM 1473 C LYS A 96 5.257 -17.963 4.682 1.00 0.00 C ATOM 1474 O LYS A 96 6.143 -17.255 5.160 1.00 0.00 O ATOM 1475 CB LYS A 96 4.032 -17.133 2.671 1.00 0.00 C ATOM 1476 CG LYS A 96 5.061 -16.095 2.251 1.00 0.00 C ATOM 1477 CD LYS A 96 5.331 -16.153 0.756 1.00 0.00 C ATOM 1478 CE LYS A 96 6.495 -15.256 0.365 1.00 0.00 C ATOM 1479 NZ LYS A 96 7.808 -15.873 0.701 1.00 0.00 N ATOM 0 H LYS A 96 4.384 -15.823 5.565 1.00 0.00 H new ATOM 0 HA LYS A 96 3.137 -18.029 4.406 1.00 0.00 H new ATOM 0 HB2 LYS A 96 4.269 -18.082 2.191 1.00 0.00 H new ATOM 0 HB3 LYS A 96 3.051 -16.828 2.307 1.00 0.00 H new ATOM 0 HG2 LYS A 96 4.706 -15.100 2.520 1.00 0.00 H new ATOM 0 HG3 LYS A 96 5.990 -16.260 2.797 1.00 0.00 H new ATOM 0 HD2 LYS A 96 5.548 -17.180 0.464 1.00 0.00 H new ATOM 0 HD3 LYS A 96 4.437 -15.849 0.212 1.00 0.00 H new ATOM 0 HE2 LYS A 96 6.453 -15.052 -0.705 1.00 0.00 H new ATOM 0 HE3 LYS A 96 6.403 -14.298 0.876 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 8.576 -15.238 0.404 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 7.866 -16.029 1.728 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 7.900 -16.783 0.207 1.00 0.00 H new ATOM 1493 N ASP A 97 5.366 -19.284 4.563 1.00 0.00 N ATOM 1494 CA ASP A 97 6.562 -20.004 4.997 1.00 0.00 C ATOM 1495 C ASP A 97 7.008 -19.541 6.385 1.00 0.00 C ATOM 1496 O ASP A 97 6.592 -20.105 7.396 1.00 0.00 O ATOM 1497 CB ASP A 97 7.693 -19.818 3.980 1.00 0.00 C ATOM 1498 CG ASP A 97 7.818 -20.996 3.034 1.00 0.00 C ATOM 1499 OD1 ASP A 97 6.777 -21.592 2.686 1.00 0.00 O ATOM 1500 OD2 ASP A 97 8.958 -21.323 2.642 1.00 0.00 O ATOM 0 H ASP A 97 4.638 -19.880 4.168 1.00 0.00 H new ATOM 0 HA ASP A 97 6.317 -21.064 5.059 1.00 0.00 H new ATOM 0 HB2 ASP A 97 7.514 -18.910 3.404 1.00 0.00 H new ATOM 0 HB3 ASP A 97 8.635 -19.679 4.510 1.00 0.00 H new ATOM 1505 N ASP A 98 7.847 -18.508 6.430 1.00 0.00 N ATOM 1506 CA ASP A 98 8.329 -17.981 7.700 1.00 0.00 C ATOM 1507 C ASP A 98 8.416 -16.455 7.689 1.00 0.00 C ATOM 1508 O ASP A 98 8.865 -15.851 8.664 1.00 0.00 O ATOM 1509 CB ASP A 98 9.694 -18.580 8.041 1.00 0.00 C ATOM 1510 CG ASP A 98 9.657 -20.093 8.129 1.00 0.00 C ATOM 1511 OD1 ASP A 98 9.353 -20.617 9.221 1.00 0.00 O ATOM 1512 OD2 ASP A 98 9.930 -20.754 7.105 1.00 0.00 O ATOM 0 H ASP A 98 8.204 -18.024 5.606 1.00 0.00 H new ATOM 0 HA ASP A 98 7.607 -18.267 8.465 1.00 0.00 H new ATOM 0 HB2 ASP A 98 10.418 -18.281 7.283 1.00 0.00 H new ATOM 0 HB3 ASP A 98 10.039 -18.172 8.991 1.00 0.00 H new ATOM 1517 N LEU A 99 7.975 -15.827 6.600 1.00 0.00 N ATOM 1518 CA LEU A 99 8.003 -14.376 6.507 1.00 0.00 C ATOM 1519 C LEU A 99 6.899 -13.781 7.368 1.00 0.00 C ATOM 1520 O LEU A 99 5.717 -14.060 7.156 1.00 0.00 O ATOM 1521 CB LEU A 99 7.838 -13.927 5.055 1.00 0.00 C ATOM 1522 CG LEU A 99 9.121 -13.942 4.221 1.00 0.00 C ATOM 1523 CD1 LEU A 99 8.860 -13.376 2.835 1.00 0.00 C ATOM 1524 CD2 LEU A 99 10.220 -13.157 4.920 1.00 0.00 C ATOM 0 H LEU A 99 7.598 -16.299 5.778 1.00 0.00 H new ATOM 0 HA LEU A 99 8.968 -14.022 6.869 1.00 0.00 H new ATOM 0 HB2 LEU A 99 7.102 -14.571 4.573 1.00 0.00 H new ATOM 0 HB3 LEU A 99 7.430 -12.916 5.048 1.00 0.00 H new ATOM 0 HG LEU A 99 9.452 -14.975 4.115 1.00 0.00 H new ATOM 0 HD11 LEU A 99 9.783 -13.394 2.255 1.00 0.00 H new ATOM 0 HD12 LEU A 99 8.104 -13.979 2.332 1.00 0.00 H new ATOM 0 HD13 LEU A 99 8.506 -12.349 2.922 1.00 0.00 H new ATOM 0 HD21 LEU A 99 11.125 -13.178 4.313 1.00 0.00 H new ATOM 0 HD22 LEU A 99 9.899 -12.124 5.057 1.00 0.00 H new ATOM 0 HD23 LEU A 99 10.425 -13.605 5.892 1.00 0.00 H new ATOM 1536 N VAL A 100 7.284 -12.972 8.346 1.00 0.00 N ATOM 1537 CA VAL A 100 6.316 -12.356 9.240 1.00 0.00 C ATOM 1538 C VAL A 100 6.212 -10.855 8.998 1.00 0.00 C ATOM 1539 O VAL A 100 7.218 -10.170 8.815 1.00 0.00 O ATOM 1540 CB VAL A 100 6.665 -12.643 10.723 1.00 0.00 C ATOM 1541 CG1 VAL A 100 7.114 -11.383 11.454 1.00 0.00 C ATOM 1542 CG2 VAL A 100 5.481 -13.280 11.433 1.00 0.00 C ATOM 0 H VAL A 100 8.256 -12.729 8.539 1.00 0.00 H new ATOM 0 HA VAL A 100 5.345 -12.801 9.024 1.00 0.00 H new ATOM 0 HB VAL A 100 7.501 -13.342 10.735 1.00 0.00 H new ATOM 0 HG11 VAL A 100 7.349 -11.628 12.490 1.00 0.00 H new ATOM 0 HG12 VAL A 100 8.000 -10.976 10.967 1.00 0.00 H new ATOM 0 HG13 VAL A 100 6.314 -10.643 11.428 1.00 0.00 H new ATOM 0 HG21 VAL A 100 5.742 -13.475 12.473 1.00 0.00 H new ATOM 0 HG22 VAL A 100 4.627 -12.604 11.394 1.00 0.00 H new ATOM 0 HG23 VAL A 100 5.224 -14.218 10.941 1.00 0.00 H new ATOM 1552 N LEU A 101 4.983 -10.355 9.003 1.00 0.00 N ATOM 1553 CA LEU A 101 4.731 -8.937 8.790 1.00 0.00 C ATOM 1554 C LEU A 101 4.548 -8.222 10.123 1.00 0.00 C ATOM 1555 O LEU A 101 3.690 -8.592 10.924 1.00 0.00 O ATOM 1556 CB LEU A 101 3.488 -8.743 7.919 1.00 0.00 C ATOM 1557 CG LEU A 101 3.202 -9.870 6.924 1.00 0.00 C ATOM 1558 CD1 LEU A 101 1.946 -9.567 6.122 1.00 0.00 C ATOM 1559 CD2 LEU A 101 4.392 -10.077 5.998 1.00 0.00 C ATOM 0 H LEU A 101 4.143 -10.913 9.153 1.00 0.00 H new ATOM 0 HA LEU A 101 5.592 -8.508 8.277 1.00 0.00 H new ATOM 0 HB2 LEU A 101 2.622 -8.629 8.571 1.00 0.00 H new ATOM 0 HB3 LEU A 101 3.595 -7.810 7.365 1.00 0.00 H new ATOM 0 HG LEU A 101 3.038 -10.791 7.483 1.00 0.00 H new ATOM 0 HD11 LEU A 101 1.758 -10.379 5.420 1.00 0.00 H new ATOM 0 HD12 LEU A 101 1.097 -9.469 6.799 1.00 0.00 H new ATOM 0 HD13 LEU A 101 2.081 -8.636 5.572 1.00 0.00 H new ATOM 0 HD21 LEU A 101 4.172 -10.882 5.297 1.00 0.00 H new ATOM 0 HD22 LEU A 101 4.587 -9.158 5.446 1.00 0.00 H new ATOM 0 HD23 LEU A 101 5.270 -10.340 6.588 1.00 0.00 H new ATOM 1571 N VAL A 102 5.358 -7.195 10.358 1.00 0.00 N ATOM 1572 CA VAL A 102 5.280 -6.433 11.597 1.00 0.00 C ATOM 1573 C VAL A 102 4.676 -5.051 11.354 1.00 0.00 C ATOM 1574 O VAL A 102 5.012 -4.385 10.377 1.00 0.00 O ATOM 1575 CB VAL A 102 6.671 -6.265 12.240 1.00 0.00 C ATOM 1576 CG1 VAL A 102 6.551 -5.634 13.619 1.00 0.00 C ATOM 1577 CG2 VAL A 102 7.386 -7.605 12.317 1.00 0.00 C ATOM 0 H VAL A 102 6.074 -6.872 9.708 1.00 0.00 H new ATOM 0 HA VAL A 102 4.638 -6.995 12.276 1.00 0.00 H new ATOM 0 HB VAL A 102 7.264 -5.598 11.614 1.00 0.00 H new ATOM 0 HG11 VAL A 102 7.543 -5.524 14.056 1.00 0.00 H new ATOM 0 HG12 VAL A 102 6.082 -4.654 13.531 1.00 0.00 H new ATOM 0 HG13 VAL A 102 5.941 -6.272 14.259 1.00 0.00 H new ATOM 0 HG21 VAL A 102 8.366 -7.469 12.773 1.00 0.00 H new ATOM 0 HG22 VAL A 102 6.798 -8.297 12.920 1.00 0.00 H new ATOM 0 HG23 VAL A 102 7.507 -8.011 11.313 1.00 0.00 H new ATOM 1587 N PRO A 103 3.775 -4.596 12.245 1.00 0.00 N ATOM 1588 CA PRO A 103 3.129 -3.287 12.119 1.00 0.00 C ATOM 1589 C PRO A 103 4.134 -2.180 11.820 1.00 0.00 C ATOM 1590 O PRO A 103 5.099 -1.986 12.558 1.00 0.00 O ATOM 1591 CB PRO A 103 2.473 -3.064 13.493 1.00 0.00 C ATOM 1592 CG PRO A 103 2.963 -4.178 14.365 1.00 0.00 C ATOM 1593 CD PRO A 103 3.310 -5.306 13.440 1.00 0.00 C ATOM 0 HA PRO A 103 2.418 -3.263 11.293 1.00 0.00 H new ATOM 0 HB2 PRO A 103 2.750 -2.094 13.906 1.00 0.00 H new ATOM 0 HB3 PRO A 103 1.386 -3.078 13.414 1.00 0.00 H new ATOM 0 HG2 PRO A 103 3.833 -3.867 14.944 1.00 0.00 H new ATOM 0 HG3 PRO A 103 2.197 -4.481 15.079 1.00 0.00 H new ATOM 0 HD2 PRO A 103 4.084 -5.951 13.857 1.00 0.00 H new ATOM 0 HD3 PRO A 103 2.448 -5.938 13.228 1.00 0.00 H new ATOM 1601 N LEU A 104 3.907 -1.467 10.720 1.00 0.00 N ATOM 1602 CA LEU A 104 4.801 -0.391 10.310 1.00 0.00 C ATOM 1603 C LEU A 104 4.082 0.955 10.272 1.00 0.00 C ATOM 1604 O LEU A 104 4.560 1.936 10.842 1.00 0.00 O ATOM 1605 CB LEU A 104 5.394 -0.700 8.935 1.00 0.00 C ATOM 1606 CG LEU A 104 6.668 0.074 8.592 1.00 0.00 C ATOM 1607 CD1 LEU A 104 7.899 -0.776 8.867 1.00 0.00 C ATOM 1608 CD2 LEU A 104 6.644 0.528 7.140 1.00 0.00 C ATOM 0 H LEU A 104 3.112 -1.616 10.098 1.00 0.00 H new ATOM 0 HA LEU A 104 5.600 -0.324 11.048 1.00 0.00 H new ATOM 0 HB2 LEU A 104 5.609 -1.767 8.880 1.00 0.00 H new ATOM 0 HB3 LEU A 104 4.642 -0.487 8.175 1.00 0.00 H new ATOM 0 HG LEU A 104 6.713 0.959 9.226 1.00 0.00 H new ATOM 0 HD11 LEU A 104 8.796 -0.209 8.617 1.00 0.00 H new ATOM 0 HD12 LEU A 104 7.924 -1.049 9.922 1.00 0.00 H new ATOM 0 HD13 LEU A 104 7.860 -1.680 8.259 1.00 0.00 H new ATOM 0 HD21 LEU A 104 7.559 1.077 6.915 1.00 0.00 H new ATOM 0 HD22 LEU A 104 6.573 -0.342 6.488 1.00 0.00 H new ATOM 0 HD23 LEU A 104 5.783 1.175 6.975 1.00 0.00 H new ATOM 1620 N THR A 105 2.943 1.006 9.587 1.00 0.00 N ATOM 1621 CA THR A 105 2.186 2.249 9.474 1.00 0.00 C ATOM 1622 C THR A 105 0.706 1.990 9.235 1.00 0.00 C ATOM 1623 O THR A 105 0.332 1.265 8.317 1.00 0.00 O ATOM 1624 CB THR A 105 2.756 3.105 8.343 1.00 0.00 C ATOM 1625 OG1 THR A 105 4.171 3.061 8.347 1.00 0.00 O ATOM 1626 CG2 THR A 105 2.343 4.558 8.421 1.00 0.00 C ATOM 0 H THR A 105 2.527 0.209 9.106 1.00 0.00 H new ATOM 0 HA THR A 105 2.280 2.782 10.420 1.00 0.00 H new ATOM 0 HB THR A 105 2.348 2.679 7.427 1.00 0.00 H new ATOM 0 HG1 THR A 105 4.518 3.613 7.615 1.00 0.00 H new ATOM 0 HG21 THR A 105 2.783 5.107 7.588 1.00 0.00 H new ATOM 0 HG22 THR A 105 1.257 4.631 8.370 1.00 0.00 H new ATOM 0 HG23 THR A 105 2.691 4.985 9.361 1.00 0.00 H new ATOM 1634 N THR A 106 -0.131 2.604 10.069 1.00 0.00 N ATOM 1635 CA THR A 106 -1.578 2.458 9.958 1.00 0.00 C ATOM 1636 C THR A 106 -2.241 3.810 9.716 1.00 0.00 C ATOM 1637 O THR A 106 -2.368 4.623 10.631 1.00 0.00 O ATOM 1638 CB THR A 106 -2.146 1.820 11.227 1.00 0.00 C ATOM 1639 OG1 THR A 106 -1.541 0.562 11.471 1.00 0.00 O ATOM 1640 CG2 THR A 106 -3.643 1.606 11.172 1.00 0.00 C ATOM 0 H THR A 106 0.172 3.210 10.832 1.00 0.00 H new ATOM 0 HA THR A 106 -1.790 1.810 9.108 1.00 0.00 H new ATOM 0 HB THR A 106 -1.926 2.526 12.027 1.00 0.00 H new ATOM 0 HG1 THR A 106 -2.068 -0.143 11.040 1.00 0.00 H new ATOM 0 HG21 THR A 106 -3.980 1.150 12.103 1.00 0.00 H new ATOM 0 HG22 THR A 106 -4.143 2.565 11.035 1.00 0.00 H new ATOM 0 HG23 THR A 106 -3.886 0.948 10.338 1.00 0.00 H new ATOM 1648 N LYS A 107 -2.662 4.045 8.477 1.00 0.00 N ATOM 1649 CA LYS A 107 -3.312 5.299 8.117 1.00 0.00 C ATOM 1650 C LYS A 107 -4.606 5.040 7.351 1.00 0.00 C ATOM 1651 O LYS A 107 -4.718 4.061 6.613 1.00 0.00 O ATOM 1652 CB LYS A 107 -2.371 6.163 7.275 1.00 0.00 C ATOM 1653 CG LYS A 107 -2.322 7.617 7.715 1.00 0.00 C ATOM 1654 CD LYS A 107 -1.163 8.356 7.066 1.00 0.00 C ATOM 1655 CE LYS A 107 0.161 8.002 7.725 1.00 0.00 C ATOM 1656 NZ LYS A 107 0.529 8.977 8.789 1.00 0.00 N ATOM 0 H LYS A 107 -2.564 3.384 7.707 1.00 0.00 H new ATOM 0 HA LYS A 107 -3.555 5.831 9.037 1.00 0.00 H new ATOM 0 HB2 LYS A 107 -1.366 5.744 7.323 1.00 0.00 H new ATOM 0 HB3 LYS A 107 -2.686 6.118 6.232 1.00 0.00 H new ATOM 0 HG2 LYS A 107 -3.260 8.109 7.455 1.00 0.00 H new ATOM 0 HG3 LYS A 107 -2.225 7.667 8.800 1.00 0.00 H new ATOM 0 HD2 LYS A 107 -1.120 8.109 6.005 1.00 0.00 H new ATOM 0 HD3 LYS A 107 -1.330 9.431 7.136 1.00 0.00 H new ATOM 0 HE2 LYS A 107 0.097 7.002 8.155 1.00 0.00 H new ATOM 0 HE3 LYS A 107 0.947 7.975 6.970 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 1.437 8.701 9.214 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 0.615 9.927 8.375 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 -0.208 8.985 9.523 1.00 0.00 H new ATOM 1670 N VAL A 108 -5.582 5.924 7.531 1.00 0.00 N ATOM 1671 CA VAL A 108 -6.867 5.791 6.856 1.00 0.00 C ATOM 1672 C VAL A 108 -7.001 6.807 5.729 1.00 0.00 C ATOM 1673 O VAL A 108 -6.579 7.955 5.861 1.00 0.00 O ATOM 1674 CB VAL A 108 -8.044 5.975 7.833 1.00 0.00 C ATOM 1675 CG1 VAL A 108 -9.341 5.492 7.203 1.00 0.00 C ATOM 1676 CG2 VAL A 108 -7.776 5.246 9.142 1.00 0.00 C ATOM 0 H VAL A 108 -5.507 6.740 8.139 1.00 0.00 H new ATOM 0 HA VAL A 108 -6.901 4.782 6.445 1.00 0.00 H new ATOM 0 HB VAL A 108 -8.145 7.038 8.052 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -10.161 5.630 7.908 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -9.541 6.064 6.297 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -9.252 4.435 6.952 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -8.619 5.389 9.817 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -7.645 4.182 8.946 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -6.872 5.644 9.602 1.00 0.00 H new ATOM 1686 N VAL A 109 -7.591 6.375 4.619 1.00 0.00 N ATOM 1687 CA VAL A 109 -7.780 7.247 3.468 1.00 0.00 C ATOM 1688 C VAL A 109 -9.119 6.972 2.788 1.00 0.00 C ATOM 1689 O VAL A 109 -9.454 5.824 2.495 1.00 0.00 O ATOM 1690 CB VAL A 109 -6.643 7.071 2.442 1.00 0.00 C ATOM 1691 CG1 VAL A 109 -6.561 5.624 1.981 1.00 0.00 C ATOM 1692 CG2 VAL A 109 -6.833 8.009 1.258 1.00 0.00 C ATOM 0 H VAL A 109 -7.946 5.427 4.493 1.00 0.00 H new ATOM 0 HA VAL A 109 -7.769 8.273 3.836 1.00 0.00 H new ATOM 0 HB VAL A 109 -5.701 7.329 2.926 1.00 0.00 H new ATOM 0 HG11 VAL A 109 -5.753 5.518 1.257 1.00 0.00 H new ATOM 0 HG12 VAL A 109 -6.367 4.979 2.838 1.00 0.00 H new ATOM 0 HG13 VAL A 109 -7.504 5.336 1.517 1.00 0.00 H new ATOM 0 HG21 VAL A 109 -6.019 7.867 0.547 1.00 0.00 H new ATOM 0 HG22 VAL A 109 -7.783 7.791 0.770 1.00 0.00 H new ATOM 0 HG23 VAL A 109 -6.833 9.041 1.608 1.00 0.00 H new ATOM 1702 N GLY A 110 -9.880 8.033 2.542 1.00 0.00 N ATOM 1703 CA GLY A 110 -11.174 7.885 1.901 1.00 0.00 C ATOM 1704 C GLY A 110 -12.234 7.358 2.848 1.00 0.00 C ATOM 1705 O GLY A 110 -13.226 8.034 3.118 1.00 0.00 O ATOM 0 H GLY A 110 -9.624 8.993 2.775 1.00 0.00 H new ATOM 0 HA2 GLY A 110 -11.492 8.849 1.505 1.00 0.00 H new ATOM 0 HA3 GLY A 110 -11.080 7.207 1.052 1.00 0.00 H new ATOM 1709 N GLY A 111 -12.022 6.148 3.356 1.00 0.00 N ATOM 1710 CA GLY A 111 -12.975 5.551 4.273 1.00 0.00 C ATOM 1711 C GLY A 111 -12.650 4.103 4.587 1.00 0.00 C ATOM 1712 O GLY A 111 -13.543 3.259 4.643 1.00 0.00 O ATOM 0 H GLY A 111 -11.207 5.570 3.149 1.00 0.00 H new ATOM 0 HA2 GLY A 111 -12.992 6.125 5.199 1.00 0.00 H new ATOM 0 HA3 GLY A 111 -13.975 5.611 3.843 1.00 0.00 H new ATOM 1716 N SER A 112 -11.368 3.817 4.790 1.00 0.00 N ATOM 1717 CA SER A 112 -10.928 2.462 5.100 1.00 0.00 C ATOM 1718 C SER A 112 -9.513 2.463 5.670 1.00 0.00 C ATOM 1719 O SER A 112 -8.618 3.117 5.135 1.00 0.00 O ATOM 1720 CB SER A 112 -10.983 1.587 3.845 1.00 0.00 C ATOM 1721 OG SER A 112 -12.228 0.917 3.745 1.00 0.00 O ATOM 0 H SER A 112 -10.616 4.505 4.745 1.00 0.00 H new ATOM 0 HA SER A 112 -11.602 2.052 5.853 1.00 0.00 H new ATOM 0 HB2 SER A 112 -10.826 2.204 2.960 1.00 0.00 H new ATOM 0 HB3 SER A 112 -10.174 0.857 3.871 1.00 0.00 H new ATOM 0 HG SER A 112 -12.947 1.518 4.031 1.00 0.00 H new ATOM 1727 N ARG A 113 -9.319 1.726 6.759 1.00 0.00 N ATOM 1728 CA ARG A 113 -8.013 1.639 7.403 1.00 0.00 C ATOM 1729 C ARG A 113 -6.978 1.043 6.456 1.00 0.00 C ATOM 1730 O ARG A 113 -7.296 0.184 5.636 1.00 0.00 O ATOM 1731 CB ARG A 113 -8.104 0.790 8.671 1.00 0.00 C ATOM 1732 CG ARG A 113 -8.481 1.587 9.911 1.00 0.00 C ATOM 1733 CD ARG A 113 -7.330 1.664 10.905 1.00 0.00 C ATOM 1734 NE ARG A 113 -7.659 1.017 12.173 1.00 0.00 N ATOM 1735 CZ ARG A 113 -7.016 1.252 13.314 1.00 0.00 C ATOM 1736 NH1 ARG A 113 -6.008 2.116 13.351 1.00 0.00 N ATOM 1737 NH2 ARG A 113 -7.379 0.621 14.422 1.00 0.00 N ATOM 0 H ARG A 113 -10.050 1.180 7.214 1.00 0.00 H new ATOM 0 HA ARG A 113 -7.699 2.648 7.669 1.00 0.00 H new ATOM 0 HB2 ARG A 113 -8.841 0.001 8.518 1.00 0.00 H new ATOM 0 HB3 ARG A 113 -7.145 0.301 8.841 1.00 0.00 H new ATOM 0 HG2 ARG A 113 -8.777 2.595 9.619 1.00 0.00 H new ATOM 0 HG3 ARG A 113 -9.345 1.127 10.390 1.00 0.00 H new ATOM 0 HD2 ARG A 113 -6.447 1.191 10.475 1.00 0.00 H new ATOM 0 HD3 ARG A 113 -7.076 2.708 11.086 1.00 0.00 H new ATOM 0 HE ARG A 113 -8.427 0.346 12.184 1.00 0.00 H new ATOM 0 HH11 ARG A 113 -5.723 2.604 12.502 1.00 0.00 H new ATOM 0 HH12 ARG A 113 -5.519 2.292 14.229 1.00 0.00 H new ATOM 0 HH21 ARG A 113 -8.151 -0.045 14.400 1.00 0.00 H new ATOM 0 HH22 ARG A 113 -6.886 0.801 15.296 1.00 0.00 H new ATOM 1751 N CYS A 114 -5.738 1.506 6.572 1.00 0.00 N ATOM 1752 CA CYS A 114 -4.660 1.015 5.723 1.00 0.00 C ATOM 1753 C CYS A 114 -3.364 0.859 6.512 1.00 0.00 C ATOM 1754 O CYS A 114 -2.639 1.830 6.728 1.00 0.00 O ATOM 1755 CB CYS A 114 -4.439 1.964 4.542 1.00 0.00 C ATOM 1756 SG CYS A 114 -5.965 2.544 3.763 1.00 0.00 S ATOM 0 H CYS A 114 -5.455 2.219 7.244 1.00 0.00 H new ATOM 0 HA CYS A 114 -4.952 0.035 5.346 1.00 0.00 H new ATOM 0 HB2 CYS A 114 -3.869 2.827 4.885 1.00 0.00 H new ATOM 0 HB3 CYS A 114 -3.831 1.458 3.792 1.00 0.00 H new ATOM 0 HG CYS A 114 -6.822 2.876 4.682 1.00 0.00 H new ATOM 1762 N THR A 115 -3.074 -0.367 6.938 1.00 0.00 N ATOM 1763 CA THR A 115 -1.859 -0.641 7.697 1.00 0.00 C ATOM 1764 C THR A 115 -0.809 -1.314 6.822 1.00 0.00 C ATOM 1765 O THR A 115 -1.133 -2.146 5.974 1.00 0.00 O ATOM 1766 CB THR A 115 -2.153 -1.533 8.902 1.00 0.00 C ATOM 1767 OG1 THR A 115 -3.067 -0.906 9.784 1.00 0.00 O ATOM 1768 CG2 THR A 115 -0.912 -1.887 9.695 1.00 0.00 C ATOM 0 H THR A 115 -3.662 -1.184 6.771 1.00 0.00 H new ATOM 0 HA THR A 115 -1.474 0.317 8.047 1.00 0.00 H new ATOM 0 HB THR A 115 -2.576 -2.449 8.489 1.00 0.00 H new ATOM 0 HG1 THR A 115 -3.841 -0.583 9.277 1.00 0.00 H new ATOM 0 HG21 THR A 115 -1.187 -2.522 10.537 1.00 0.00 H new ATOM 0 HG22 THR A 115 -0.210 -2.420 9.053 1.00 0.00 H new ATOM 0 HG23 THR A 115 -0.445 -0.975 10.066 1.00 0.00 H new ATOM 1776 N ILE A 116 0.451 -0.967 7.051 1.00 0.00 N ATOM 1777 CA ILE A 116 1.550 -1.555 6.305 1.00 0.00 C ATOM 1778 C ILE A 116 2.540 -2.211 7.264 1.00 0.00 C ATOM 1779 O ILE A 116 2.785 -1.697 8.355 1.00 0.00 O ATOM 1780 CB ILE A 116 2.266 -0.509 5.420 1.00 0.00 C ATOM 1781 CG1 ILE A 116 2.911 -1.190 4.213 1.00 0.00 C ATOM 1782 CG2 ILE A 116 3.306 0.268 6.217 1.00 0.00 C ATOM 1783 CD1 ILE A 116 3.770 -0.262 3.379 1.00 0.00 C ATOM 0 H ILE A 116 0.735 -0.280 7.749 1.00 0.00 H new ATOM 0 HA ILE A 116 1.136 -2.314 5.642 1.00 0.00 H new ATOM 0 HB ILE A 116 1.521 0.202 5.064 1.00 0.00 H new ATOM 0 HG12 ILE A 116 3.522 -2.023 4.560 1.00 0.00 H new ATOM 0 HG13 ILE A 116 2.128 -1.611 3.582 1.00 0.00 H new ATOM 0 HG21 ILE A 116 3.793 0.996 5.568 1.00 0.00 H new ATOM 0 HG22 ILE A 116 2.819 0.787 7.043 1.00 0.00 H new ATOM 0 HG23 ILE A 116 4.052 -0.422 6.612 1.00 0.00 H new ATOM 0 HD11 ILE A 116 4.195 -0.814 2.541 1.00 0.00 H new ATOM 0 HD12 ILE A 116 3.159 0.558 3.001 1.00 0.00 H new ATOM 0 HD13 ILE A 116 4.575 0.139 3.994 1.00 0.00 H new ATOM 1795 N CYS A 117 3.088 -3.357 6.872 1.00 0.00 N ATOM 1796 CA CYS A 117 4.023 -4.072 7.733 1.00 0.00 C ATOM 1797 C CYS A 117 5.256 -4.543 6.972 1.00 0.00 C ATOM 1798 O CYS A 117 5.157 -5.046 5.853 1.00 0.00 O ATOM 1799 CB CYS A 117 3.323 -5.275 8.368 1.00 0.00 C ATOM 1800 SG CYS A 117 1.827 -4.857 9.294 1.00 0.00 S ATOM 0 H CYS A 117 2.904 -3.806 5.975 1.00 0.00 H new ATOM 0 HA CYS A 117 4.355 -3.379 8.506 1.00 0.00 H new ATOM 0 HB2 CYS A 117 3.065 -5.987 7.584 1.00 0.00 H new ATOM 0 HB3 CYS A 117 4.022 -5.777 9.036 1.00 0.00 H new ATOM 0 HG CYS A 117 1.877 -5.407 10.471 1.00 0.00 H new ATOM 1806 N ASP A 118 6.419 -4.394 7.601 1.00 0.00 N ATOM 1807 CA ASP A 118 7.673 -4.825 6.999 1.00 0.00 C ATOM 1808 C ASP A 118 7.708 -6.345 6.908 1.00 0.00 C ATOM 1809 O ASP A 118 7.127 -7.034 7.745 1.00 0.00 O ATOM 1810 CB ASP A 118 8.863 -4.320 7.819 1.00 0.00 C ATOM 1811 CG ASP A 118 8.718 -4.625 9.297 1.00 0.00 C ATOM 1812 OD1 ASP A 118 7.947 -3.917 9.977 1.00 0.00 O ATOM 1813 OD2 ASP A 118 9.377 -5.573 9.774 1.00 0.00 O ATOM 0 H ASP A 118 6.517 -3.978 8.527 1.00 0.00 H new ATOM 0 HA ASP A 118 7.742 -4.405 5.995 1.00 0.00 H new ATOM 0 HB2 ASP A 118 9.779 -4.777 7.445 1.00 0.00 H new ATOM 0 HB3 ASP A 118 8.965 -3.244 7.681 1.00 0.00 H new ATOM 1818 N VAL A 119 8.384 -6.868 5.892 1.00 0.00 N ATOM 1819 CA VAL A 119 8.471 -8.307 5.714 1.00 0.00 C ATOM 1820 C VAL A 119 9.772 -8.841 6.297 1.00 0.00 C ATOM 1821 O VAL A 119 10.840 -8.690 5.707 1.00 0.00 O ATOM 1822 CB VAL A 119 8.366 -8.703 4.228 1.00 0.00 C ATOM 1823 CG1 VAL A 119 7.940 -10.155 4.095 1.00 0.00 C ATOM 1824 CG2 VAL A 119 7.391 -7.786 3.496 1.00 0.00 C ATOM 0 H VAL A 119 8.875 -6.320 5.186 1.00 0.00 H new ATOM 0 HA VAL A 119 7.629 -8.751 6.245 1.00 0.00 H new ATOM 0 HB VAL A 119 9.349 -8.590 3.770 1.00 0.00 H new ATOM 0 HG11 VAL A 119 7.871 -10.419 3.040 1.00 0.00 H new ATOM 0 HG12 VAL A 119 8.675 -10.796 4.582 1.00 0.00 H new ATOM 0 HG13 VAL A 119 6.968 -10.294 4.568 1.00 0.00 H new ATOM 0 HG21 VAL A 119 7.330 -8.081 2.449 1.00 0.00 H new ATOM 0 HG22 VAL A 119 6.405 -7.865 3.953 1.00 0.00 H new ATOM 0 HG23 VAL A 119 7.740 -6.756 3.563 1.00 0.00 H new ATOM 1834 N VAL A 120 9.669 -9.451 7.469 1.00 0.00 N ATOM 1835 CA VAL A 120 10.832 -9.999 8.153 1.00 0.00 C ATOM 1836 C VAL A 120 10.609 -11.462 8.522 1.00 0.00 C ATOM 1837 O VAL A 120 9.518 -11.849 8.937 1.00 0.00 O ATOM 1838 CB VAL A 120 11.157 -9.194 9.429 1.00 0.00 C ATOM 1839 CG1 VAL A 120 11.990 -7.970 9.086 1.00 0.00 C ATOM 1840 CG2 VAL A 120 9.878 -8.787 10.148 1.00 0.00 C ATOM 0 H VAL A 120 8.789 -9.579 7.968 1.00 0.00 H new ATOM 0 HA VAL A 120 11.675 -9.929 7.465 1.00 0.00 H new ATOM 0 HB VAL A 120 11.737 -9.830 10.098 1.00 0.00 H new ATOM 0 HG11 VAL A 120 12.211 -7.413 9.997 1.00 0.00 H new ATOM 0 HG12 VAL A 120 12.923 -8.284 8.618 1.00 0.00 H new ATOM 0 HG13 VAL A 120 11.435 -7.333 8.397 1.00 0.00 H new ATOM 0 HG21 VAL A 120 10.129 -8.221 11.045 1.00 0.00 H new ATOM 0 HG22 VAL A 120 9.270 -8.169 9.487 1.00 0.00 H new ATOM 0 HG23 VAL A 120 9.318 -9.679 10.428 1.00 0.00 H new ATOM 1850 N LYS A 121 11.649 -12.271 8.360 1.00 0.00 N ATOM 1851 CA LYS A 121 11.565 -13.694 8.668 1.00 0.00 C ATOM 1852 C LYS A 121 11.569 -13.933 10.174 1.00 0.00 C ATOM 1853 O LYS A 121 12.413 -13.403 10.896 1.00 0.00 O ATOM 1854 CB LYS A 121 12.729 -14.447 8.018 1.00 0.00 C ATOM 1855 CG LYS A 121 12.494 -15.945 7.900 1.00 0.00 C ATOM 1856 CD LYS A 121 13.109 -16.508 6.629 1.00 0.00 C ATOM 1857 CE LYS A 121 12.130 -16.464 5.466 1.00 0.00 C ATOM 1858 NZ LYS A 121 11.730 -17.827 5.024 1.00 0.00 N ATOM 0 H LYS A 121 12.560 -11.966 8.017 1.00 0.00 H new ATOM 0 HA LYS A 121 10.624 -14.069 8.265 1.00 0.00 H new ATOM 0 HB2 LYS A 121 12.907 -14.036 7.024 1.00 0.00 H new ATOM 0 HB3 LYS A 121 13.634 -14.274 8.601 1.00 0.00 H new ATOM 0 HG2 LYS A 121 12.921 -16.450 8.766 1.00 0.00 H new ATOM 0 HG3 LYS A 121 11.423 -16.148 7.908 1.00 0.00 H new ATOM 0 HD2 LYS A 121 14.003 -15.939 6.374 1.00 0.00 H new ATOM 0 HD3 LYS A 121 13.424 -17.537 6.801 1.00 0.00 H new ATOM 0 HE2 LYS A 121 11.243 -15.903 5.760 1.00 0.00 H new ATOM 0 HE3 LYS A 121 12.583 -15.930 4.631 1.00 0.00 H new ATOM 0 HZ1 LYS A 121 12.251 -18.078 4.159 1.00 0.00 H new ATOM 0 HZ2 LYS A 121 11.951 -18.514 5.773 1.00 0.00 H new ATOM 0 HZ3 LYS A 121 10.708 -17.843 4.830 1.00 0.00 H new ATOM 1872 N GLU A 122 10.617 -14.736 10.638 1.00 0.00 N ATOM 1873 CA GLU A 122 10.504 -15.050 12.057 1.00 0.00 C ATOM 1874 C GLU A 122 11.701 -15.870 12.529 1.00 0.00 C ATOM 1875 O GLU A 122 11.747 -17.085 12.337 1.00 0.00 O ATOM 1876 CB GLU A 122 9.205 -15.815 12.325 1.00 0.00 C ATOM 1877 CG GLU A 122 9.008 -16.194 13.783 1.00 0.00 C ATOM 1878 CD GLU A 122 8.037 -15.276 14.498 1.00 0.00 C ATOM 1879 OE1 GLU A 122 8.111 -14.048 14.282 1.00 0.00 O ATOM 1880 OE2 GLU A 122 7.202 -15.785 15.275 1.00 0.00 O ATOM 0 H GLU A 122 9.912 -15.181 10.051 1.00 0.00 H new ATOM 0 HA GLU A 122 10.488 -14.113 12.614 1.00 0.00 H new ATOM 0 HB2 GLU A 122 8.362 -15.206 12.000 1.00 0.00 H new ATOM 0 HB3 GLU A 122 9.196 -16.721 11.719 1.00 0.00 H new ATOM 0 HG2 GLU A 122 8.643 -17.219 13.842 1.00 0.00 H new ATOM 0 HG3 GLU A 122 9.970 -16.168 14.294 1.00 0.00 H new ATOM 1887 N GLU A 123 12.666 -15.197 13.146 1.00 0.00 N ATOM 1888 CA GLU A 123 13.864 -15.863 13.645 1.00 0.00 C ATOM 1889 C GLU A 123 14.542 -15.026 14.725 1.00 0.00 C ATOM 1890 O GLU A 123 14.178 -13.840 14.869 1.00 0.00 O ATOM 1891 CB GLU A 123 14.841 -16.127 12.498 1.00 0.00 C ATOM 1892 CG GLU A 123 14.418 -17.268 11.588 1.00 0.00 C ATOM 1893 CD GLU A 123 15.597 -17.944 10.916 1.00 0.00 C ATOM 1894 OE1 GLU A 123 16.159 -18.887 11.513 1.00 0.00 O ATOM 1895 OE2 GLU A 123 15.957 -17.533 9.793 1.00 0.00 O ATOM 1896 OXT GLU A 123 15.429 -15.565 15.419 1.00 0.00 O ATOM 0 H GLU A 123 12.642 -14.191 13.313 1.00 0.00 H new ATOM 0 HA GLU A 123 13.565 -16.815 14.084 1.00 0.00 H new ATOM 0 HB2 GLU A 123 14.944 -15.219 11.904 1.00 0.00 H new ATOM 0 HB3 GLU A 123 15.824 -16.350 12.913 1.00 0.00 H new ATOM 0 HG2 GLU A 123 13.864 -18.005 12.169 1.00 0.00 H new ATOM 0 HG3 GLU A 123 13.739 -16.887 10.825 1.00 0.00 H new TER 1903 GLU A 123