USER MOD reduce.3.24.130724 H: found=0, std=0, add=858, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 862 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 114 LYS NZ :NH3+ -171:sc= -1.28 (180deg=0) USER MOD Set 1.2: A 115 HIS : no HD1:sc= -4.87 K(o=-6.2,f=-1.5!) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 THR OG1 : rot -71:sc= -3.44! USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 16 SER OG : rot -23:sc= 0.739 USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 26 TYR OH : rot 180:sc= -0.626 USER MOD Single : A 27 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 30 THR OG1 : rot 5:sc= 0.584 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 THR OG1 : rot 180:sc= -0.0971 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 LYS NZ :NH3+ -118:sc= 0.0734 (180deg=0) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 62 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 ASN : amide:sc= -6.18! K(o=-6.2!,f=-1.4) USER MOD Single : A 71 SER OG : rot -15:sc= 0.958 USER MOD Single : A 74 SER OG : rot 126:sc= -1.21 USER MOD Single : A 80 THR OG1 : rot -150:sc= -0.432 USER MOD Single : A 87 THR OG1 : rot 180:sc= 0 USER MOD Single : A 90 LYS NZ :NH3+ -161:sc= -0.0213 (180deg=-0.469) USER MOD Single : A 93 LYS NZ :NH3+ -161:sc=-0.00494 (180deg=-0.235) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 TYR OH : rot 28:sc= 0.317 USER MOD Single : A 112 THR OG1 : rot -124:sc= -1.85 USER MOD ----------------------------------------------------------------- ATOM 20 N LYS A 2 -1.128 0.610 15.050 1.00 0.00 N ATOM 21 CA LYS A 2 -0.521 0.409 13.739 1.00 0.00 C ATOM 22 C LYS A 2 -1.523 -0.190 12.758 1.00 0.00 C ATOM 23 O LYS A 2 -2.148 -1.213 13.038 1.00 0.00 O ATOM 24 CB LYS A 2 0.706 -0.491 13.853 1.00 0.00 C ATOM 25 CG LYS A 2 2.022 0.255 13.693 1.00 0.00 C ATOM 26 CD LYS A 2 2.663 0.551 15.040 1.00 0.00 C ATOM 27 CE LYS A 2 4.152 0.247 15.028 1.00 0.00 C ATOM 28 NZ LYS A 2 4.614 -0.321 16.325 1.00 0.00 N ATOM 0 HA LYS A 2 -0.211 1.382 13.359 1.00 0.00 H new ATOM 0 HB2 LYS A 2 0.694 -0.987 14.824 1.00 0.00 H new ATOM 0 HB3 LYS A 2 0.646 -1.272 13.095 1.00 0.00 H new ATOM 0 HG2 LYS A 2 2.706 -0.338 13.086 1.00 0.00 H new ATOM 0 HG3 LYS A 2 1.849 1.189 13.158 1.00 0.00 H new ATOM 0 HD2 LYS A 2 2.507 1.599 15.296 1.00 0.00 H new ATOM 0 HD3 LYS A 2 2.176 -0.042 15.814 1.00 0.00 H new ATOM 0 HE2 LYS A 2 4.372 -0.456 14.225 1.00 0.00 H new ATOM 0 HE3 LYS A 2 4.707 1.160 14.813 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 5.635 -0.514 16.275 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 4.427 0.360 17.088 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 4.103 -1.206 16.518 1.00 0.00 H new ATOM 42 N ARG A 3 -1.670 0.455 11.605 1.00 0.00 N ATOM 43 CA ARG A 3 -2.595 -0.012 10.579 1.00 0.00 C ATOM 44 C ARG A 3 -2.090 0.348 9.186 1.00 0.00 C ATOM 45 O ARG A 3 -1.544 1.427 8.976 1.00 0.00 O ATOM 46 CB ARG A 3 -3.979 0.580 10.804 1.00 0.00 C ATOM 47 CG ARG A 3 -3.994 2.088 10.760 1.00 0.00 C ATOM 48 CD ARG A 3 -3.657 2.690 12.115 1.00 0.00 C ATOM 49 NE ARG A 3 -3.838 4.140 12.132 1.00 0.00 N ATOM 50 CZ ARG A 3 -3.285 4.945 13.035 1.00 0.00 C ATOM 51 NH1 ARG A 3 -2.521 4.447 14.000 1.00 0.00 N ATOM 52 NH2 ARG A 3 -3.497 6.253 12.976 1.00 0.00 N ATOM 0 H ARG A 3 -1.160 1.303 11.358 1.00 0.00 H new ATOM 0 HA ARG A 3 -2.660 -1.098 10.650 1.00 0.00 H new ATOM 0 HB2 ARG A 3 -4.660 0.194 10.046 1.00 0.00 H new ATOM 0 HB3 ARG A 3 -4.357 0.247 11.771 1.00 0.00 H new ATOM 0 HG2 ARG A 3 -3.277 2.438 10.017 1.00 0.00 H new ATOM 0 HG3 ARG A 3 -4.978 2.434 10.442 1.00 0.00 H new ATOM 0 HD2 ARG A 3 -4.288 2.237 12.880 1.00 0.00 H new ATOM 0 HD3 ARG A 3 -2.625 2.451 12.371 1.00 0.00 H new ATOM 0 HE ARG A 3 -4.423 4.559 11.409 1.00 0.00 H new ATOM 0 HH11 ARG A 3 -2.355 3.442 14.052 1.00 0.00 H new ATOM 0 HH12 ARG A 3 -2.100 5.070 14.689 1.00 0.00 H new ATOM 0 HH21 ARG A 3 -4.084 6.642 12.238 1.00 0.00 H new ATOM 0 HH22 ARG A 3 -3.073 6.870 13.669 1.00 0.00 H new ATOM 66 N VAL A 4 -2.270 -0.566 8.240 1.00 0.00 N ATOM 67 CA VAL A 4 -1.823 -0.346 6.867 1.00 0.00 C ATOM 68 C VAL A 4 -2.977 -0.519 5.882 1.00 0.00 C ATOM 69 O VAL A 4 -4.002 -1.110 6.214 1.00 0.00 O ATOM 70 CB VAL A 4 -0.687 -1.323 6.498 1.00 0.00 C ATOM 71 CG1 VAL A 4 -0.059 -0.953 5.163 1.00 0.00 C ATOM 72 CG2 VAL A 4 0.370 -1.351 7.595 1.00 0.00 C ATOM 0 H VAL A 4 -2.722 -1.467 8.397 1.00 0.00 H new ATOM 0 HA VAL A 4 -1.452 0.677 6.803 1.00 0.00 H new ATOM 0 HB VAL A 4 -1.117 -2.320 6.403 1.00 0.00 H new ATOM 0 HG11 VAL A 4 0.738 -1.658 4.928 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -0.818 -0.990 4.381 1.00 0.00 H new ATOM 0 HG13 VAL A 4 0.353 0.054 5.222 1.00 0.00 H new ATOM 0 HG21 VAL A 4 1.163 -2.045 7.318 1.00 0.00 H new ATOM 0 HG22 VAL A 4 0.789 -0.353 7.722 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -0.085 -1.675 8.531 1.00 0.00 H new ATOM 82 N LEU A 5 -2.806 -0.002 4.668 1.00 0.00 N ATOM 83 CA LEU A 5 -3.835 -0.109 3.641 1.00 0.00 C ATOM 84 C LEU A 5 -3.304 -0.860 2.427 1.00 0.00 C ATOM 85 O LEU A 5 -2.313 -0.457 1.820 1.00 0.00 O ATOM 86 CB LEU A 5 -4.324 1.276 3.221 1.00 0.00 C ATOM 87 CG LEU A 5 -5.387 1.279 2.120 1.00 0.00 C ATOM 88 CD1 LEU A 5 -6.610 0.485 2.557 1.00 0.00 C ATOM 89 CD2 LEU A 5 -5.773 2.706 1.754 1.00 0.00 C ATOM 0 H LEU A 5 -1.965 0.494 4.373 1.00 0.00 H new ATOM 0 HA LEU A 5 -4.673 -0.665 4.061 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -4.728 1.783 4.097 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -3.468 1.859 2.881 1.00 0.00 H new ATOM 0 HG LEU A 5 -4.968 0.801 1.234 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -7.355 0.498 1.762 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -6.320 -0.545 2.766 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -7.032 0.932 3.457 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -6.530 2.688 0.970 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -6.173 3.212 2.633 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -4.893 3.241 1.397 1.00 0.00 H new ATOM 101 N VAL A 6 -3.968 -1.955 2.080 1.00 0.00 N ATOM 102 CA VAL A 6 -3.556 -2.764 0.938 1.00 0.00 C ATOM 103 C VAL A 6 -4.452 -2.511 -0.268 1.00 0.00 C ATOM 104 O VAL A 6 -5.663 -2.684 -0.195 1.00 0.00 O ATOM 105 CB VAL A 6 -3.589 -4.268 1.274 1.00 0.00 C ATOM 106 CG1 VAL A 6 -3.042 -5.091 0.116 1.00 0.00 C ATOM 107 CG2 VAL A 6 -2.816 -4.548 2.553 1.00 0.00 C ATOM 0 H VAL A 6 -4.792 -2.303 2.571 1.00 0.00 H new ATOM 0 HA VAL A 6 -2.534 -2.472 0.698 1.00 0.00 H new ATOM 0 HB VAL A 6 -4.627 -4.561 1.434 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -3.074 -6.149 0.375 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -3.648 -4.916 -0.773 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -2.011 -4.798 -0.084 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -2.851 -5.615 2.773 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -1.779 -4.237 2.427 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -3.263 -3.993 3.377 1.00 0.00 H new ATOM 117 N VAL A 7 -3.855 -2.106 -1.381 1.00 0.00 N ATOM 118 CA VAL A 7 -4.625 -1.843 -2.588 1.00 0.00 C ATOM 119 C VAL A 7 -4.324 -2.874 -3.669 1.00 0.00 C ATOM 120 O VAL A 7 -3.272 -2.834 -4.303 1.00 0.00 O ATOM 121 CB VAL A 7 -4.353 -0.428 -3.137 1.00 0.00 C ATOM 122 CG1 VAL A 7 -5.246 -0.129 -4.331 1.00 0.00 C ATOM 123 CG2 VAL A 7 -4.547 0.613 -2.045 1.00 0.00 C ATOM 0 H VAL A 7 -2.851 -1.954 -1.473 1.00 0.00 H new ATOM 0 HA VAL A 7 -5.677 -1.913 -2.313 1.00 0.00 H new ATOM 0 HB VAL A 7 -3.317 -0.385 -3.473 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -5.036 0.875 -4.700 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -5.052 -0.855 -5.121 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -6.291 -0.192 -4.029 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -4.351 1.606 -2.450 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -5.572 0.567 -1.677 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -3.857 0.413 -1.225 1.00 0.00 H new ATOM 133 N ASP A 8 -5.263 -3.792 -3.878 1.00 0.00 N ATOM 134 CA ASP A 8 -5.110 -4.833 -4.887 1.00 0.00 C ATOM 135 C ASP A 8 -6.199 -4.693 -5.949 1.00 0.00 C ATOM 136 O ASP A 8 -7.281 -4.192 -5.666 1.00 0.00 O ATOM 137 CB ASP A 8 -5.149 -6.218 -4.222 1.00 0.00 C ATOM 138 CG ASP A 8 -5.732 -7.300 -5.115 1.00 0.00 C ATOM 139 OD1 ASP A 8 -5.237 -7.462 -6.250 1.00 0.00 O ATOM 140 OD2 ASP A 8 -6.682 -7.983 -4.679 1.00 0.00 O ATOM 0 H ASP A 8 -6.140 -3.835 -3.360 1.00 0.00 H new ATOM 0 HA ASP A 8 -4.144 -4.724 -5.379 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -4.137 -6.502 -3.932 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -5.737 -6.157 -3.306 1.00 0.00 H new ATOM 145 N ASP A 9 -5.902 -5.129 -7.167 1.00 0.00 N ATOM 146 CA ASP A 9 -6.850 -5.038 -8.275 1.00 0.00 C ATOM 147 C ASP A 9 -7.867 -6.177 -8.242 1.00 0.00 C ATOM 148 O ASP A 9 -8.115 -6.836 -9.251 1.00 0.00 O ATOM 149 CB ASP A 9 -6.104 -5.033 -9.612 1.00 0.00 C ATOM 150 CG ASP A 9 -7.036 -4.872 -10.797 1.00 0.00 C ATOM 151 OD1 ASP A 9 -7.844 -3.919 -10.793 1.00 0.00 O ATOM 152 OD2 ASP A 9 -6.960 -5.700 -11.729 1.00 0.00 O ATOM 0 H ASP A 9 -5.007 -5.552 -7.415 1.00 0.00 H new ATOM 0 HA ASP A 9 -7.397 -4.102 -8.166 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -5.375 -4.223 -9.615 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -5.546 -5.964 -9.717 1.00 0.00 H new ATOM 157 N GLU A 10 -8.460 -6.390 -7.075 1.00 0.00 N ATOM 158 CA GLU A 10 -9.464 -7.434 -6.903 1.00 0.00 C ATOM 159 C GLU A 10 -8.879 -8.817 -7.171 1.00 0.00 C ATOM 160 O GLU A 10 -8.451 -9.119 -8.284 1.00 0.00 O ATOM 161 CB GLU A 10 -10.656 -7.182 -7.829 1.00 0.00 C ATOM 162 CG GLU A 10 -11.818 -6.480 -7.146 1.00 0.00 C ATOM 163 CD GLU A 10 -12.996 -6.264 -8.075 1.00 0.00 C ATOM 164 OE1 GLU A 10 -13.745 -7.233 -8.319 1.00 0.00 O ATOM 165 OE2 GLU A 10 -13.171 -5.126 -8.559 1.00 0.00 O ATOM 0 H GLU A 10 -8.263 -5.853 -6.231 1.00 0.00 H new ATOM 0 HA GLU A 10 -9.802 -7.404 -5.867 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -10.327 -6.581 -8.677 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -11.002 -8.135 -8.229 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -12.140 -7.070 -6.288 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -11.481 -5.517 -6.763 1.00 0.00 H new ATOM 217 N THR A 14 -4.739 -9.733 -0.914 1.00 0.00 N ATOM 218 CA THR A 14 -3.400 -10.161 -1.283 1.00 0.00 C ATOM 219 C THR A 14 -3.030 -11.389 -0.456 1.00 0.00 C ATOM 220 O THR A 14 -3.008 -11.338 0.772 1.00 0.00 O ATOM 221 CB THR A 14 -2.394 -9.022 -1.073 1.00 0.00 C ATOM 222 OG1 THR A 14 -1.947 -8.981 0.267 1.00 0.00 O ATOM 223 CG2 THR A 14 -2.955 -7.652 -1.410 1.00 0.00 C ATOM 0 HA THR A 14 -3.374 -10.424 -2.340 1.00 0.00 H new ATOM 0 HB THR A 14 -1.573 -9.241 -1.756 1.00 0.00 H new ATOM 0 HG1 THR A 14 -2.673 -8.665 0.844 1.00 0.00 H new ATOM 0 HG21 THR A 14 -2.191 -6.894 -1.239 1.00 0.00 H new ATOM 0 HG22 THR A 14 -3.259 -7.631 -2.456 1.00 0.00 H new ATOM 0 HG23 THR A 14 -3.818 -7.447 -0.777 1.00 0.00 H new ATOM 231 N SER A 15 -2.787 -12.502 -1.136 1.00 0.00 N ATOM 232 CA SER A 15 -2.466 -13.760 -0.466 1.00 0.00 C ATOM 233 C SER A 15 -1.284 -13.636 0.492 1.00 0.00 C ATOM 234 O SER A 15 -0.331 -12.898 0.239 1.00 0.00 O ATOM 235 CB SER A 15 -2.175 -14.845 -1.503 1.00 0.00 C ATOM 236 OG SER A 15 -3.369 -15.477 -1.929 1.00 0.00 O ATOM 0 H SER A 15 -2.806 -12.561 -2.154 1.00 0.00 H new ATOM 0 HA SER A 15 -3.337 -14.032 0.130 1.00 0.00 H new ATOM 0 HB2 SER A 15 -1.667 -14.405 -2.361 1.00 0.00 H new ATOM 0 HB3 SER A 15 -1.499 -15.587 -1.078 1.00 0.00 H new ATOM 0 HG SER A 15 -3.156 -16.165 -2.593 1.00 0.00 H new ATOM 242 N SER A 16 -1.356 -14.398 1.582 1.00 0.00 N ATOM 243 CA SER A 16 -0.301 -14.430 2.593 1.00 0.00 C ATOM 244 C SER A 16 -0.149 -13.102 3.334 1.00 0.00 C ATOM 245 O SER A 16 0.813 -12.917 4.074 1.00 0.00 O ATOM 246 CB SER A 16 1.028 -14.822 1.948 1.00 0.00 C ATOM 247 OG SER A 16 2.067 -14.887 2.912 1.00 0.00 O ATOM 0 H SER A 16 -2.146 -15.009 1.789 1.00 0.00 H new ATOM 0 HA SER A 16 -0.592 -15.176 3.333 1.00 0.00 H new ATOM 0 HB2 SER A 16 0.925 -15.789 1.455 1.00 0.00 H new ATOM 0 HB3 SER A 16 1.289 -14.097 1.177 1.00 0.00 H new ATOM 0 HG SER A 16 1.831 -14.333 3.685 1.00 0.00 H new ATOM 253 N LEU A 17 -1.092 -12.185 3.152 1.00 0.00 N ATOM 254 CA LEU A 17 -1.024 -10.893 3.833 1.00 0.00 C ATOM 255 C LEU A 17 -1.741 -10.961 5.177 1.00 0.00 C ATOM 256 O LEU A 17 -1.183 -10.600 6.213 1.00 0.00 O ATOM 257 CB LEU A 17 -1.653 -9.798 2.962 1.00 0.00 C ATOM 258 CG LEU A 17 -0.938 -8.432 2.924 1.00 0.00 C ATOM 259 CD1 LEU A 17 -1.915 -7.316 3.262 1.00 0.00 C ATOM 260 CD2 LEU A 17 0.264 -8.380 3.863 1.00 0.00 C ATOM 0 H LEU A 17 -1.904 -12.307 2.547 1.00 0.00 H new ATOM 0 HA LEU A 17 0.025 -10.650 4.005 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -1.718 -10.174 1.941 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -2.674 -9.636 3.308 1.00 0.00 H new ATOM 0 HG LEU A 17 -0.564 -8.293 1.910 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -1.397 -6.357 3.232 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -2.728 -7.312 2.536 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -2.321 -7.478 4.261 1.00 0.00 H new ATOM 0 HD21 LEU A 17 0.733 -7.398 3.800 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -0.066 -8.559 4.886 1.00 0.00 H new ATOM 0 HD23 LEU A 17 0.984 -9.145 3.575 1.00 0.00 H new ATOM 272 N SER A 18 -2.986 -11.428 5.146 1.00 0.00 N ATOM 273 CA SER A 18 -3.796 -11.550 6.354 1.00 0.00 C ATOM 274 C SER A 18 -3.036 -12.279 7.459 1.00 0.00 C ATOM 275 O SER A 18 -2.885 -11.763 8.567 1.00 0.00 O ATOM 276 CB SER A 18 -5.098 -12.288 6.041 1.00 0.00 C ATOM 277 OG SER A 18 -6.000 -12.219 7.134 1.00 0.00 O ATOM 0 H SER A 18 -3.458 -11.729 4.293 1.00 0.00 H new ATOM 0 HA SER A 18 -4.027 -10.545 6.708 1.00 0.00 H new ATOM 0 HB2 SER A 18 -5.562 -11.854 5.155 1.00 0.00 H new ATOM 0 HB3 SER A 18 -4.882 -13.331 5.809 1.00 0.00 H new ATOM 0 HG SER A 18 -6.825 -12.697 6.908 1.00 0.00 H new ATOM 283 N ALA A 19 -2.558 -13.482 7.151 1.00 0.00 N ATOM 284 CA ALA A 19 -1.812 -14.278 8.118 1.00 0.00 C ATOM 285 C ALA A 19 -0.614 -13.503 8.654 1.00 0.00 C ATOM 286 O ALA A 19 -0.317 -13.545 9.848 1.00 0.00 O ATOM 287 CB ALA A 19 -1.359 -15.586 7.487 1.00 0.00 C ATOM 0 H ALA A 19 -2.675 -13.925 6.240 1.00 0.00 H new ATOM 0 HA ALA A 19 -2.472 -14.503 8.956 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -0.803 -16.170 8.220 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -2.230 -16.152 7.157 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -0.718 -15.374 6.631 1.00 0.00 H new ATOM 293 N ILE A 20 0.066 -12.792 7.762 1.00 0.00 N ATOM 294 CA ILE A 20 1.228 -11.997 8.139 1.00 0.00 C ATOM 295 C ILE A 20 0.836 -10.906 9.130 1.00 0.00 C ATOM 296 O ILE A 20 1.242 -10.933 10.291 1.00 0.00 O ATOM 297 CB ILE A 20 1.895 -11.366 6.894 1.00 0.00 C ATOM 298 CG1 ILE A 20 2.654 -12.430 6.107 1.00 0.00 C ATOM 299 CG2 ILE A 20 2.833 -10.232 7.284 1.00 0.00 C ATOM 300 CD1 ILE A 20 3.197 -11.927 4.788 1.00 0.00 C ATOM 0 H ILE A 20 -0.168 -12.750 6.770 1.00 0.00 H new ATOM 0 HA ILE A 20 1.947 -12.663 8.616 1.00 0.00 H new ATOM 0 HB ILE A 20 1.108 -10.950 6.265 1.00 0.00 H new ATOM 0 HG12 ILE A 20 3.480 -12.800 6.714 1.00 0.00 H new ATOM 0 HG13 ILE A 20 1.991 -13.275 5.920 1.00 0.00 H new ATOM 0 HG21 ILE A 20 3.286 -9.810 6.387 1.00 0.00 H new ATOM 0 HG22 ILE A 20 2.271 -9.458 7.806 1.00 0.00 H new ATOM 0 HG23 ILE A 20 3.615 -10.616 7.939 1.00 0.00 H new ATOM 0 HD11 ILE A 20 3.725 -12.734 4.280 1.00 0.00 H new ATOM 0 HD12 ILE A 20 2.373 -11.583 4.163 1.00 0.00 H new ATOM 0 HD13 ILE A 20 3.885 -11.101 4.969 1.00 0.00 H new ATOM 312 N LEU A 21 0.039 -9.950 8.666 1.00 0.00 N ATOM 313 CA LEU A 21 -0.415 -8.854 9.513 1.00 0.00 C ATOM 314 C LEU A 21 -0.975 -9.379 10.833 1.00 0.00 C ATOM 315 O LEU A 21 -0.922 -8.700 11.857 1.00 0.00 O ATOM 316 CB LEU A 21 -1.477 -8.044 8.782 1.00 0.00 C ATOM 317 CG LEU A 21 -1.064 -7.590 7.383 1.00 0.00 C ATOM 318 CD1 LEU A 21 -2.150 -7.910 6.367 1.00 0.00 C ATOM 319 CD2 LEU A 21 -0.741 -6.105 7.389 1.00 0.00 C ATOM 0 H LEU A 21 -0.306 -9.912 7.707 1.00 0.00 H new ATOM 0 HA LEU A 21 0.439 -8.214 9.736 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -2.385 -8.642 8.705 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -1.723 -7.166 9.379 1.00 0.00 H new ATOM 0 HG LEU A 21 -0.167 -8.136 7.090 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -1.833 -7.577 5.379 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -2.326 -8.986 6.349 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -3.071 -7.397 6.645 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -0.448 -5.792 6.387 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -1.621 -5.543 7.702 1.00 0.00 H new ATOM 0 HD23 LEU A 21 0.078 -5.914 8.083 1.00 0.00 H new ATOM 331 N GLU A 22 -1.508 -10.598 10.798 1.00 0.00 N ATOM 332 CA GLU A 22 -2.073 -11.221 11.987 1.00 0.00 C ATOM 333 C GLU A 22 -0.972 -11.665 12.944 1.00 0.00 C ATOM 334 O GLU A 22 -1.180 -11.729 14.156 1.00 0.00 O ATOM 335 CB GLU A 22 -2.943 -12.414 11.601 1.00 0.00 C ATOM 336 CG GLU A 22 -4.363 -12.030 11.214 1.00 0.00 C ATOM 337 CD GLU A 22 -5.282 -13.232 11.106 1.00 0.00 C ATOM 338 OE1 GLU A 22 -5.088 -14.199 11.872 1.00 0.00 O ATOM 339 OE2 GLU A 22 -6.197 -13.204 10.256 1.00 0.00 O ATOM 0 H GLU A 22 -1.559 -11.173 9.957 1.00 0.00 H new ATOM 0 HA GLU A 22 -2.692 -10.481 12.494 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -2.477 -12.939 10.767 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -2.979 -13.113 12.437 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -4.763 -11.337 11.954 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -4.346 -11.503 10.260 1.00 0.00 H new ATOM 346 N GLU A 23 0.203 -11.965 12.396 1.00 0.00 N ATOM 347 CA GLU A 23 1.333 -12.393 13.206 1.00 0.00 C ATOM 348 C GLU A 23 2.037 -11.181 13.808 1.00 0.00 C ATOM 349 O GLU A 23 2.545 -11.234 14.928 1.00 0.00 O ATOM 350 CB GLU A 23 2.309 -13.210 12.352 1.00 0.00 C ATOM 351 CG GLU A 23 3.686 -13.373 12.975 1.00 0.00 C ATOM 352 CD GLU A 23 4.203 -14.796 12.887 1.00 0.00 C ATOM 353 OE1 GLU A 23 3.585 -15.692 13.501 1.00 0.00 O ATOM 354 OE2 GLU A 23 5.226 -15.015 12.206 1.00 0.00 O ATOM 0 H GLU A 23 0.394 -11.919 11.395 1.00 0.00 H new ATOM 0 HA GLU A 23 0.970 -13.021 14.019 1.00 0.00 H new ATOM 0 HB2 GLU A 23 1.882 -14.197 12.174 1.00 0.00 H new ATOM 0 HB3 GLU A 23 2.416 -12.729 11.380 1.00 0.00 H new ATOM 0 HG2 GLU A 23 4.388 -12.704 12.476 1.00 0.00 H new ATOM 0 HG3 GLU A 23 3.645 -13.070 14.021 1.00 0.00 H new ATOM 361 N GLU A 24 2.058 -10.089 13.052 1.00 0.00 N ATOM 362 CA GLU A 24 2.694 -8.859 13.501 1.00 0.00 C ATOM 363 C GLU A 24 1.725 -8.003 14.308 1.00 0.00 C ATOM 364 O GLU A 24 2.132 -7.266 15.206 1.00 0.00 O ATOM 365 CB GLU A 24 3.214 -8.066 12.306 1.00 0.00 C ATOM 366 CG GLU A 24 4.628 -8.441 11.896 1.00 0.00 C ATOM 367 CD GLU A 24 5.657 -8.071 12.946 1.00 0.00 C ATOM 368 OE1 GLU A 24 5.811 -6.864 13.226 1.00 0.00 O ATOM 369 OE2 GLU A 24 6.308 -8.989 13.488 1.00 0.00 O ATOM 0 H GLU A 24 1.640 -10.032 12.123 1.00 0.00 H new ATOM 0 HA GLU A 24 3.531 -9.130 14.144 1.00 0.00 H new ATOM 0 HB2 GLU A 24 2.546 -8.221 11.459 1.00 0.00 H new ATOM 0 HB3 GLU A 24 3.184 -7.003 12.545 1.00 0.00 H new ATOM 0 HG2 GLU A 24 4.675 -9.514 11.708 1.00 0.00 H new ATOM 0 HG3 GLU A 24 4.875 -7.942 10.959 1.00 0.00 H new ATOM 376 N GLY A 25 0.440 -8.102 13.981 1.00 0.00 N ATOM 377 CA GLY A 25 -0.566 -7.330 14.683 1.00 0.00 C ATOM 378 C GLY A 25 -0.796 -5.971 14.053 1.00 0.00 C ATOM 379 O GLY A 25 -0.594 -4.939 14.694 1.00 0.00 O ATOM 0 H GLY A 25 0.079 -8.704 13.241 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -1.504 -7.885 14.694 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -0.261 -7.199 15.721 1.00 0.00 H new ATOM 383 N TYR A 26 -1.218 -5.969 12.792 1.00 0.00 N ATOM 384 CA TYR A 26 -1.473 -4.726 12.072 1.00 0.00 C ATOM 385 C TYR A 26 -2.959 -4.569 11.767 1.00 0.00 C ATOM 386 O TYR A 26 -3.784 -5.363 12.221 1.00 0.00 O ATOM 387 CB TYR A 26 -0.669 -4.692 10.772 1.00 0.00 C ATOM 388 CG TYR A 26 0.789 -4.351 10.974 1.00 0.00 C ATOM 389 CD1 TYR A 26 1.180 -3.056 11.290 1.00 0.00 C ATOM 390 CD2 TYR A 26 1.775 -5.321 10.850 1.00 0.00 C ATOM 391 CE1 TYR A 26 2.511 -2.737 11.476 1.00 0.00 C ATOM 392 CE2 TYR A 26 3.109 -5.011 11.035 1.00 0.00 C ATOM 393 CZ TYR A 26 3.471 -3.719 11.348 1.00 0.00 C ATOM 394 OH TYR A 26 4.799 -3.405 11.533 1.00 0.00 O ATOM 0 H TYR A 26 -1.391 -6.814 12.248 1.00 0.00 H new ATOM 0 HA TYR A 26 -1.161 -3.897 12.707 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -0.742 -5.663 10.283 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -1.115 -3.961 10.097 1.00 0.00 H new ATOM 0 HD1 TYR A 26 0.430 -2.285 11.392 1.00 0.00 H new ATOM 0 HD2 TYR A 26 1.495 -6.335 10.605 1.00 0.00 H new ATOM 0 HE1 TYR A 26 2.798 -1.725 11.720 1.00 0.00 H new ATOM 0 HE2 TYR A 26 3.864 -5.777 10.935 1.00 0.00 H new ATOM 0 HH TYR A 26 5.346 -4.209 11.408 1.00 0.00 H new ATOM 404 N HIS A 27 -3.292 -3.537 11.000 1.00 0.00 N ATOM 405 CA HIS A 27 -4.674 -3.271 10.635 1.00 0.00 C ATOM 406 C HIS A 27 -4.800 -3.007 9.136 1.00 0.00 C ATOM 407 O HIS A 27 -4.816 -1.858 8.698 1.00 0.00 O ATOM 408 CB HIS A 27 -5.203 -2.073 11.424 1.00 0.00 C ATOM 409 CG HIS A 27 -6.352 -2.410 12.323 1.00 0.00 C ATOM 410 ND1 HIS A 27 -6.191 -2.788 13.639 1.00 0.00 N ATOM 411 CD2 HIS A 27 -7.687 -2.426 12.090 1.00 0.00 C ATOM 412 CE1 HIS A 27 -7.375 -3.022 14.176 1.00 0.00 C ATOM 413 NE2 HIS A 27 -8.299 -2.808 13.258 1.00 0.00 N ATOM 0 H HIS A 27 -2.620 -2.871 10.619 1.00 0.00 H new ATOM 0 HA HIS A 27 -5.268 -4.152 10.879 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -4.393 -1.656 12.023 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -5.514 -1.297 10.725 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -8.178 -2.183 11.159 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -7.556 -3.335 15.194 1.00 0.00 H new ATOM 0 HE2 HIS A 27 -9.305 -2.910 13.394 1.00 0.00 H new ATOM 422 N PRO A 28 -4.897 -4.075 8.331 1.00 0.00 N ATOM 423 CA PRO A 28 -5.029 -3.963 6.881 1.00 0.00 C ATOM 424 C PRO A 28 -6.480 -3.761 6.463 1.00 0.00 C ATOM 425 O PRO A 28 -7.325 -4.620 6.715 1.00 0.00 O ATOM 426 CB PRO A 28 -4.512 -5.314 6.398 1.00 0.00 C ATOM 427 CG PRO A 28 -4.891 -6.269 7.482 1.00 0.00 C ATOM 428 CD PRO A 28 -4.894 -5.483 8.772 1.00 0.00 C ATOM 0 HA PRO A 28 -4.491 -3.110 6.468 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -4.963 -5.594 5.446 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -3.433 -5.295 6.246 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -5.873 -6.702 7.290 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -4.183 -7.096 7.534 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -5.770 -5.713 9.378 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -4.018 -5.709 9.380 1.00 0.00 H new ATOM 436 N ASP A 29 -6.776 -2.624 5.839 1.00 0.00 N ATOM 437 CA ASP A 29 -8.146 -2.342 5.417 1.00 0.00 C ATOM 438 C ASP A 29 -8.387 -2.729 3.973 1.00 0.00 C ATOM 439 O ASP A 29 -9.519 -2.734 3.491 1.00 0.00 O ATOM 440 CB ASP A 29 -8.492 -0.872 5.641 1.00 0.00 C ATOM 441 CG ASP A 29 -9.987 -0.641 5.739 1.00 0.00 C ATOM 442 OD1 ASP A 29 -10.648 -1.357 6.520 1.00 0.00 O ATOM 443 OD2 ASP A 29 -10.497 0.256 5.035 1.00 0.00 O ATOM 0 H ASP A 29 -6.099 -1.894 5.617 1.00 0.00 H new ATOM 0 HA ASP A 29 -8.803 -2.955 6.034 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -8.012 -0.523 6.555 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -8.088 -0.277 4.822 1.00 0.00 H new ATOM 448 N THR A 30 -7.312 -3.062 3.303 1.00 0.00 N ATOM 449 CA THR A 30 -7.351 -3.474 1.906 1.00 0.00 C ATOM 450 C THR A 30 -8.150 -2.499 1.037 1.00 0.00 C ATOM 451 O THR A 30 -8.764 -1.555 1.534 1.00 0.00 O ATOM 452 CB THR A 30 -7.935 -4.879 1.788 1.00 0.00 C ATOM 453 OG1 THR A 30 -9.280 -4.904 2.233 1.00 0.00 O ATOM 454 CG2 THR A 30 -7.165 -5.907 2.587 1.00 0.00 C ATOM 0 H THR A 30 -6.375 -3.058 3.706 1.00 0.00 H new ATOM 0 HA THR A 30 -6.325 -3.473 1.539 1.00 0.00 H new ATOM 0 HB THR A 30 -7.869 -5.136 0.731 1.00 0.00 H new ATOM 0 HG1 THR A 30 -9.569 -3.994 2.451 1.00 0.00 H new ATOM 0 HG21 THR A 30 -7.628 -6.886 2.463 1.00 0.00 H new ATOM 0 HG22 THR A 30 -6.135 -5.946 2.233 1.00 0.00 H new ATOM 0 HG23 THR A 30 -7.176 -5.631 3.641 1.00 0.00 H new ATOM 462 N ALA A 31 -8.121 -2.742 -0.268 1.00 0.00 N ATOM 463 CA ALA A 31 -8.825 -1.910 -1.235 1.00 0.00 C ATOM 464 C ALA A 31 -9.063 -2.683 -2.534 1.00 0.00 C ATOM 465 O ALA A 31 -9.115 -3.913 -2.525 1.00 0.00 O ATOM 466 CB ALA A 31 -8.032 -0.637 -1.499 1.00 0.00 C ATOM 0 H ALA A 31 -7.610 -3.520 -0.685 1.00 0.00 H new ATOM 0 HA ALA A 31 -9.796 -1.635 -0.824 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -8.565 -0.020 -2.223 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -7.913 -0.083 -0.568 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -7.050 -0.896 -1.895 1.00 0.00 H new ATOM 472 N LYS A 32 -9.207 -1.967 -3.648 1.00 0.00 N ATOM 473 CA LYS A 32 -9.438 -2.612 -4.940 1.00 0.00 C ATOM 474 C LYS A 32 -8.728 -1.865 -6.067 1.00 0.00 C ATOM 475 O LYS A 32 -8.128 -2.474 -6.949 1.00 0.00 O ATOM 476 CB LYS A 32 -10.937 -2.692 -5.243 1.00 0.00 C ATOM 477 CG LYS A 32 -11.806 -2.854 -4.005 1.00 0.00 C ATOM 478 CD LYS A 32 -13.280 -2.688 -4.334 1.00 0.00 C ATOM 479 CE LYS A 32 -14.164 -3.186 -3.202 1.00 0.00 C ATOM 480 NZ LYS A 32 -15.591 -2.811 -3.404 1.00 0.00 N ATOM 0 H LYS A 32 -9.168 -0.948 -3.683 1.00 0.00 H new ATOM 0 HA LYS A 32 -9.029 -3.621 -4.880 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -11.240 -1.789 -5.772 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -11.118 -3.531 -5.915 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -11.638 -3.838 -3.568 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -11.514 -2.118 -3.256 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -13.494 -1.637 -4.529 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -13.514 -3.235 -5.247 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -14.081 -4.270 -3.127 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -13.811 -2.773 -2.257 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -16.160 -3.169 -2.610 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -15.675 -1.775 -3.450 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -15.937 -3.226 -4.293 1.00 0.00 H new ATOM 494 N THR A 33 -8.807 -0.544 -6.039 1.00 0.00 N ATOM 495 CA THR A 33 -8.171 0.273 -7.065 1.00 0.00 C ATOM 496 C THR A 33 -7.800 1.637 -6.508 1.00 0.00 C ATOM 497 O THR A 33 -8.200 1.995 -5.402 1.00 0.00 O ATOM 498 CB THR A 33 -9.100 0.430 -8.272 1.00 0.00 C ATOM 499 OG1 THR A 33 -10.182 -0.479 -8.197 1.00 0.00 O ATOM 500 CG2 THR A 33 -8.400 0.202 -9.594 1.00 0.00 C ATOM 0 H THR A 33 -9.302 -0.015 -5.321 1.00 0.00 H new ATOM 0 HA THR A 33 -7.259 -0.229 -7.387 1.00 0.00 H new ATOM 0 HB THR A 33 -9.451 1.461 -8.235 1.00 0.00 H new ATOM 0 HG1 THR A 33 -10.763 -0.360 -8.977 1.00 0.00 H new ATOM 0 HG21 THR A 33 -9.112 0.328 -10.409 1.00 0.00 H new ATOM 0 HG22 THR A 33 -7.590 0.922 -9.706 1.00 0.00 H new ATOM 0 HG23 THR A 33 -7.993 -0.809 -9.621 1.00 0.00 H new ATOM 508 N LEU A 34 -7.034 2.399 -7.279 1.00 0.00 N ATOM 509 CA LEU A 34 -6.618 3.726 -6.851 1.00 0.00 C ATOM 510 C LEU A 34 -7.832 4.624 -6.639 1.00 0.00 C ATOM 511 O LEU A 34 -7.795 5.553 -5.834 1.00 0.00 O ATOM 512 CB LEU A 34 -5.668 4.344 -7.879 1.00 0.00 C ATOM 513 CG LEU A 34 -4.437 3.494 -8.208 1.00 0.00 C ATOM 514 CD1 LEU A 34 -3.716 4.047 -9.428 1.00 0.00 C ATOM 515 CD2 LEU A 34 -3.498 3.430 -7.011 1.00 0.00 C ATOM 0 H LEU A 34 -6.691 2.122 -8.199 1.00 0.00 H new ATOM 0 HA LEU A 34 -6.089 3.633 -5.902 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -6.222 4.528 -8.800 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -5.334 5.313 -7.508 1.00 0.00 H new ATOM 0 HG LEU A 34 -4.769 2.481 -8.438 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -2.844 3.430 -9.646 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -4.390 4.038 -10.284 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -3.396 5.070 -9.229 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -2.629 2.822 -7.262 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -3.173 4.437 -6.749 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -4.019 2.985 -6.163 1.00 0.00 H new ATOM 527 N ARG A 35 -8.916 4.327 -7.348 1.00 0.00 N ATOM 528 CA ARG A 35 -10.144 5.098 -7.216 1.00 0.00 C ATOM 529 C ARG A 35 -10.857 4.717 -5.924 1.00 0.00 C ATOM 530 O ARG A 35 -11.336 5.578 -5.184 1.00 0.00 O ATOM 531 CB ARG A 35 -11.066 4.857 -8.415 1.00 0.00 C ATOM 532 CG ARG A 35 -10.348 4.887 -9.755 1.00 0.00 C ATOM 533 CD ARG A 35 -10.232 6.304 -10.295 1.00 0.00 C ATOM 534 NE ARG A 35 -9.170 6.424 -11.291 1.00 0.00 N ATOM 535 CZ ARG A 35 -9.091 7.414 -12.177 1.00 0.00 C ATOM 536 NH1 ARG A 35 -10.008 8.374 -12.194 1.00 0.00 N ATOM 537 NH2 ARG A 35 -8.092 7.444 -13.049 1.00 0.00 N ATOM 0 H ARG A 35 -8.968 3.560 -8.018 1.00 0.00 H new ATOM 0 HA ARG A 35 -9.888 6.157 -7.187 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -11.556 3.890 -8.297 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -11.851 5.614 -8.416 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -9.353 4.456 -9.645 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -10.887 4.267 -10.471 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -11.182 6.602 -10.740 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -10.036 6.991 -9.472 1.00 0.00 H new ATOM 0 HE ARG A 35 -8.446 5.706 -11.308 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -10.778 8.355 -11.526 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -9.942 9.130 -12.875 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -7.385 6.709 -13.040 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -8.031 8.202 -13.728 1.00 0.00 H new ATOM 551 N GLU A 36 -10.910 3.416 -5.655 1.00 0.00 N ATOM 552 CA GLU A 36 -11.548 2.908 -4.448 1.00 0.00 C ATOM 553 C GLU A 36 -10.670 3.165 -3.228 1.00 0.00 C ATOM 554 O GLU A 36 -11.165 3.273 -2.106 1.00 0.00 O ATOM 555 CB GLU A 36 -11.827 1.407 -4.582 1.00 0.00 C ATOM 556 CG GLU A 36 -13.176 0.987 -4.022 1.00 0.00 C ATOM 557 CD GLU A 36 -14.189 0.680 -5.107 1.00 0.00 C ATOM 558 OE1 GLU A 36 -13.776 0.218 -6.191 1.00 0.00 O ATOM 559 OE2 GLU A 36 -15.396 0.903 -4.873 1.00 0.00 O ATOM 0 H GLU A 36 -10.517 2.694 -6.259 1.00 0.00 H new ATOM 0 HA GLU A 36 -12.494 3.434 -4.316 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -11.778 1.129 -5.635 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -11.041 0.853 -4.069 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -13.046 0.107 -3.393 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -13.563 1.781 -3.383 1.00 0.00 H new ATOM 566 N ALA A 37 -9.361 3.270 -3.455 1.00 0.00 N ATOM 567 CA ALA A 37 -8.420 3.521 -2.373 1.00 0.00 C ATOM 568 C ALA A 37 -8.467 4.980 -1.950 1.00 0.00 C ATOM 569 O ALA A 37 -8.314 5.298 -0.771 1.00 0.00 O ATOM 570 CB ALA A 37 -7.010 3.134 -2.791 1.00 0.00 C ATOM 0 H ALA A 37 -8.933 3.185 -4.377 1.00 0.00 H new ATOM 0 HA ALA A 37 -8.708 2.906 -1.520 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -6.321 3.329 -1.969 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -6.983 2.074 -3.044 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -6.714 3.722 -3.660 1.00 0.00 H new ATOM 576 N GLU A 38 -8.704 5.863 -2.911 1.00 0.00 N ATOM 577 CA GLU A 38 -8.795 7.283 -2.618 1.00 0.00 C ATOM 578 C GLU A 38 -10.063 7.557 -1.828 1.00 0.00 C ATOM 579 O GLU A 38 -10.054 8.325 -0.867 1.00 0.00 O ATOM 580 CB GLU A 38 -8.784 8.104 -3.905 1.00 0.00 C ATOM 581 CG GLU A 38 -7.396 8.288 -4.499 1.00 0.00 C ATOM 582 CD GLU A 38 -7.382 9.278 -5.649 1.00 0.00 C ATOM 583 OE1 GLU A 38 -8.215 10.207 -5.644 1.00 0.00 O ATOM 584 OE2 GLU A 38 -6.536 9.121 -6.555 1.00 0.00 O ATOM 0 H GLU A 38 -8.836 5.621 -3.893 1.00 0.00 H new ATOM 0 HA GLU A 38 -7.929 7.576 -2.024 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -9.424 7.618 -4.642 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -9.217 9.084 -3.704 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -6.714 8.630 -3.721 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -7.023 7.325 -4.848 1.00 0.00 H new ATOM 591 N LYS A 39 -11.150 6.904 -2.228 1.00 0.00 N ATOM 592 CA LYS A 39 -12.423 7.057 -1.543 1.00 0.00 C ATOM 593 C LYS A 39 -12.294 6.583 -0.099 1.00 0.00 C ATOM 594 O LYS A 39 -12.865 7.177 0.815 1.00 0.00 O ATOM 595 CB LYS A 39 -13.517 6.263 -2.264 1.00 0.00 C ATOM 596 CG LYS A 39 -14.857 6.276 -1.546 1.00 0.00 C ATOM 597 CD LYS A 39 -14.958 5.144 -0.537 1.00 0.00 C ATOM 598 CE LYS A 39 -16.406 4.778 -0.252 1.00 0.00 C ATOM 599 NZ LYS A 39 -16.532 3.899 0.943 1.00 0.00 N ATOM 0 H LYS A 39 -11.172 6.265 -3.023 1.00 0.00 H new ATOM 0 HA LYS A 39 -12.701 8.111 -1.549 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -13.648 6.670 -3.266 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -13.187 5.231 -2.380 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -14.990 7.231 -1.038 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -15.663 6.188 -2.275 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -14.429 4.270 -0.916 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -14.467 5.437 0.391 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -16.986 5.687 -0.096 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -16.830 4.274 -1.120 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -17.534 3.672 1.103 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -15.999 3.020 0.785 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -16.150 4.390 1.777 1.00 0.00 H new ATOM 613 N LYS A 40 -11.530 5.510 0.095 1.00 0.00 N ATOM 614 CA LYS A 40 -11.315 4.960 1.426 1.00 0.00 C ATOM 615 C LYS A 40 -10.400 5.867 2.240 1.00 0.00 C ATOM 616 O LYS A 40 -10.685 6.180 3.396 1.00 0.00 O ATOM 617 CB LYS A 40 -10.712 3.559 1.331 1.00 0.00 C ATOM 618 CG LYS A 40 -11.660 2.527 0.742 1.00 0.00 C ATOM 619 CD LYS A 40 -12.476 1.840 1.824 1.00 0.00 C ATOM 620 CE LYS A 40 -11.812 0.556 2.293 1.00 0.00 C ATOM 621 NZ LYS A 40 -12.749 -0.307 3.063 1.00 0.00 N ATOM 0 H LYS A 40 -11.052 5.007 -0.653 1.00 0.00 H new ATOM 0 HA LYS A 40 -12.280 4.896 1.929 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -9.810 3.601 0.721 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -10.408 3.235 2.326 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -12.330 3.011 0.031 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -11.090 1.782 0.187 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -12.602 2.516 2.670 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -13.473 1.617 1.443 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -11.438 0.005 1.430 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -10.950 0.799 2.914 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -12.393 -0.427 4.033 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -13.688 0.139 3.092 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -12.822 -1.237 2.603 1.00 0.00 H new ATOM 635 N ILE A 41 -9.296 6.288 1.628 1.00 0.00 N ATOM 636 CA ILE A 41 -8.339 7.158 2.297 1.00 0.00 C ATOM 637 C ILE A 41 -8.930 8.548 2.525 1.00 0.00 C ATOM 638 O ILE A 41 -8.551 9.245 3.467 1.00 0.00 O ATOM 639 CB ILE A 41 -7.033 7.283 1.488 1.00 0.00 C ATOM 640 CG1 ILE A 41 -6.455 5.895 1.192 1.00 0.00 C ATOM 641 CG2 ILE A 41 -6.018 8.139 2.236 1.00 0.00 C ATOM 642 CD1 ILE A 41 -5.721 5.816 -0.128 1.00 0.00 C ATOM 0 H ILE A 41 -9.044 6.040 0.671 1.00 0.00 H new ATOM 0 HA ILE A 41 -8.112 6.703 3.261 1.00 0.00 H new ATOM 0 HB ILE A 41 -7.259 7.773 0.541 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -5.773 5.615 1.995 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -7.265 5.165 1.193 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -5.103 8.215 1.649 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -6.430 9.135 2.397 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -5.794 7.680 3.199 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -5.339 4.805 -0.272 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -6.405 6.064 -0.940 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -4.890 6.521 -0.125 1.00 0.00 H new ATOM 654 N LYS A 42 -9.859 8.945 1.659 1.00 0.00 N ATOM 655 CA LYS A 42 -10.504 10.252 1.766 1.00 0.00 C ATOM 656 C LYS A 42 -10.969 10.526 3.194 1.00 0.00 C ATOM 657 O LYS A 42 -11.035 11.677 3.626 1.00 0.00 O ATOM 658 CB LYS A 42 -11.692 10.338 0.811 1.00 0.00 C ATOM 659 CG LYS A 42 -11.977 11.749 0.322 1.00 0.00 C ATOM 660 CD LYS A 42 -13.183 11.785 -0.603 1.00 0.00 C ATOM 661 CE LYS A 42 -14.471 11.467 0.140 1.00 0.00 C ATOM 662 NZ LYS A 42 -15.056 10.167 -0.289 1.00 0.00 N ATOM 0 H LYS A 42 -10.183 8.380 0.874 1.00 0.00 H new ATOM 0 HA LYS A 42 -9.767 11.008 1.494 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -11.504 9.695 -0.049 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -12.579 9.949 1.311 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -12.153 12.403 1.176 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -11.104 12.137 -0.202 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -13.261 12.771 -1.061 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -13.043 11.068 -1.412 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -14.274 11.440 1.212 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -15.194 12.264 -0.031 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -15.932 9.989 0.242 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -15.268 10.201 -1.307 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -14.377 9.402 -0.102 1.00 0.00 H new ATOM 676 N GLU A 43 -11.291 9.461 3.921 1.00 0.00 N ATOM 677 CA GLU A 43 -11.750 9.586 5.297 1.00 0.00 C ATOM 678 C GLU A 43 -10.778 8.909 6.259 1.00 0.00 C ATOM 679 O GLU A 43 -10.444 9.460 7.308 1.00 0.00 O ATOM 680 CB GLU A 43 -13.145 8.977 5.449 1.00 0.00 C ATOM 681 CG GLU A 43 -14.177 9.583 4.511 1.00 0.00 C ATOM 682 CD GLU A 43 -15.325 8.637 4.218 1.00 0.00 C ATOM 683 OE1 GLU A 43 -15.627 7.785 5.080 1.00 0.00 O ATOM 684 OE2 GLU A 43 -15.922 8.748 3.127 1.00 0.00 O ATOM 0 H GLU A 43 -11.242 8.501 3.578 1.00 0.00 H new ATOM 0 HA GLU A 43 -11.796 10.647 5.543 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -13.086 7.904 5.267 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -13.480 9.108 6.478 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -14.570 10.499 4.952 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -13.693 9.862 3.575 1.00 0.00 H new ATOM 691 N LEU A 44 -10.329 7.713 5.895 1.00 0.00 N ATOM 692 CA LEU A 44 -9.395 6.962 6.725 1.00 0.00 C ATOM 693 C LEU A 44 -7.969 7.463 6.524 1.00 0.00 C ATOM 694 O LEU A 44 -7.390 7.304 5.449 1.00 0.00 O ATOM 695 CB LEU A 44 -9.478 5.469 6.398 1.00 0.00 C ATOM 696 CG LEU A 44 -10.140 4.607 7.474 1.00 0.00 C ATOM 697 CD1 LEU A 44 -9.295 4.589 8.739 1.00 0.00 C ATOM 698 CD2 LEU A 44 -11.542 5.115 7.774 1.00 0.00 C ATOM 0 H LEU A 44 -10.597 7.243 5.030 1.00 0.00 H new ATOM 0 HA LEU A 44 -9.669 7.112 7.769 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -10.030 5.347 5.466 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -8.470 5.094 6.223 1.00 0.00 H new ATOM 0 HG LEU A 44 -10.217 3.586 7.099 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -9.782 3.971 9.493 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -8.311 4.178 8.513 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -9.186 5.605 9.118 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -11.999 4.490 8.542 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -11.488 6.144 8.128 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -12.145 5.075 6.867 1.00 0.00 H new ATOM 710 N PHE A 45 -7.407 8.070 7.564 1.00 0.00 N ATOM 711 CA PHE A 45 -6.048 8.593 7.499 1.00 0.00 C ATOM 712 C PHE A 45 -5.027 7.461 7.572 1.00 0.00 C ATOM 713 O PHE A 45 -4.242 7.377 8.517 1.00 0.00 O ATOM 714 CB PHE A 45 -5.806 9.592 8.633 1.00 0.00 C ATOM 715 CG PHE A 45 -4.445 10.229 8.590 1.00 0.00 C ATOM 716 CD1 PHE A 45 -4.145 11.189 7.636 1.00 0.00 C ATOM 717 CD2 PHE A 45 -3.468 9.869 9.503 1.00 0.00 C ATOM 718 CE1 PHE A 45 -2.895 11.777 7.594 1.00 0.00 C ATOM 719 CE2 PHE A 45 -2.216 10.453 9.466 1.00 0.00 C ATOM 720 CZ PHE A 45 -1.929 11.408 8.510 1.00 0.00 C ATOM 0 H PHE A 45 -7.871 8.212 8.461 1.00 0.00 H new ATOM 0 HA PHE A 45 -5.927 9.106 6.545 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -6.565 10.373 8.587 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -5.930 9.082 9.588 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -4.897 11.481 6.917 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -3.687 9.123 10.253 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -2.674 12.524 6.846 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -1.463 10.163 10.184 1.00 0.00 H new ATOM 0 HZ PHE A 45 -0.951 11.865 8.479 1.00 0.00 H new ATOM 730 N PHE A 46 -5.042 6.591 6.566 1.00 0.00 N ATOM 731 CA PHE A 46 -4.118 5.464 6.513 1.00 0.00 C ATOM 732 C PHE A 46 -2.669 5.947 6.596 1.00 0.00 C ATOM 733 O PHE A 46 -2.246 6.791 5.806 1.00 0.00 O ATOM 734 CB PHE A 46 -4.323 4.671 5.221 1.00 0.00 C ATOM 735 CG PHE A 46 -5.552 3.806 5.228 1.00 0.00 C ATOM 736 CD1 PHE A 46 -5.674 2.757 6.124 1.00 0.00 C ATOM 737 CD2 PHE A 46 -6.581 4.036 4.328 1.00 0.00 C ATOM 738 CE1 PHE A 46 -6.800 1.955 6.125 1.00 0.00 C ATOM 739 CE2 PHE A 46 -7.708 3.238 4.324 1.00 0.00 C ATOM 740 CZ PHE A 46 -7.819 2.196 5.223 1.00 0.00 C ATOM 0 H PHE A 46 -5.685 6.646 5.776 1.00 0.00 H new ATOM 0 HA PHE A 46 -4.322 4.818 7.367 1.00 0.00 H new ATOM 0 HB2 PHE A 46 -4.385 5.367 4.385 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -3.449 4.043 5.049 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -4.880 2.563 6.830 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -6.500 4.849 3.622 1.00 0.00 H new ATOM 0 HE1 PHE A 46 -6.883 1.141 6.830 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -8.502 3.429 3.618 1.00 0.00 H new ATOM 0 HZ PHE A 46 -8.700 1.571 5.221 1.00 0.00 H new ATOM 750 N PRO A 47 -1.884 5.420 7.553 1.00 0.00 N ATOM 751 CA PRO A 47 -0.483 5.811 7.719 1.00 0.00 C ATOM 752 C PRO A 47 0.422 5.178 6.670 1.00 0.00 C ATOM 753 O PRO A 47 1.409 5.775 6.254 1.00 0.00 O ATOM 754 CB PRO A 47 -0.135 5.282 9.109 1.00 0.00 C ATOM 755 CG PRO A 47 -1.015 4.096 9.282 1.00 0.00 C ATOM 756 CD PRO A 47 -2.293 4.406 8.545 1.00 0.00 C ATOM 0 HA PRO A 47 -0.342 6.886 7.606 1.00 0.00 H new ATOM 0 HB2 PRO A 47 0.918 5.009 9.179 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -0.322 6.031 9.878 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -0.542 3.199 8.881 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -1.211 3.908 10.338 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -2.704 3.518 8.065 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -3.061 4.789 9.217 1.00 0.00 H new ATOM 764 N VAL A 48 0.090 3.957 6.266 1.00 0.00 N ATOM 765 CA VAL A 48 0.882 3.231 5.281 1.00 0.00 C ATOM 766 C VAL A 48 0.021 2.668 4.160 1.00 0.00 C ATOM 767 O VAL A 48 -0.768 1.753 4.374 1.00 0.00 O ATOM 768 CB VAL A 48 1.631 2.075 5.951 1.00 0.00 C ATOM 769 CG1 VAL A 48 2.599 1.410 4.984 1.00 0.00 C ATOM 770 CG2 VAL A 48 2.343 2.583 7.181 1.00 0.00 C ATOM 0 H VAL A 48 -0.725 3.448 6.607 1.00 0.00 H new ATOM 0 HA VAL A 48 1.587 3.943 4.853 1.00 0.00 H new ATOM 0 HB VAL A 48 0.911 1.314 6.251 1.00 0.00 H new ATOM 0 HG11 VAL A 48 3.115 0.594 5.490 1.00 0.00 H new ATOM 0 HG12 VAL A 48 2.048 1.017 4.130 1.00 0.00 H new ATOM 0 HG13 VAL A 48 3.329 2.142 4.639 1.00 0.00 H new ATOM 0 HG21 VAL A 48 2.876 1.761 7.658 1.00 0.00 H new ATOM 0 HG22 VAL A 48 3.053 3.359 6.896 1.00 0.00 H new ATOM 0 HG23 VAL A 48 1.614 2.996 7.878 1.00 0.00 H new ATOM 780 N ILE A 49 0.175 3.218 2.965 1.00 0.00 N ATOM 781 CA ILE A 49 -0.598 2.753 1.816 1.00 0.00 C ATOM 782 C ILE A 49 0.209 1.758 0.987 1.00 0.00 C ATOM 783 O ILE A 49 1.418 1.921 0.820 1.00 0.00 O ATOM 784 CB ILE A 49 -1.031 3.921 0.903 1.00 0.00 C ATOM 785 CG1 ILE A 49 -1.217 5.207 1.712 1.00 0.00 C ATOM 786 CG2 ILE A 49 -2.313 3.566 0.165 1.00 0.00 C ATOM 787 CD1 ILE A 49 -2.279 5.099 2.784 1.00 0.00 C ATOM 0 H ILE A 49 0.822 3.981 2.763 1.00 0.00 H new ATOM 0 HA ILE A 49 -1.489 2.269 2.215 1.00 0.00 H new ATOM 0 HB ILE A 49 -0.242 4.093 0.171 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -0.268 5.474 2.178 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -1.479 6.019 1.033 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -2.607 4.398 -0.475 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -2.147 2.679 -0.446 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -3.105 3.366 0.887 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -2.356 6.047 3.317 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -3.238 4.863 2.323 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -2.009 4.310 3.485 1.00 0.00 H new ATOM 799 N VAL A 50 -0.458 0.730 0.459 1.00 0.00 N ATOM 800 CA VAL A 50 0.209 -0.277 -0.360 1.00 0.00 C ATOM 801 C VAL A 50 -0.544 -0.457 -1.676 1.00 0.00 C ATOM 802 O VAL A 50 -1.688 -0.023 -1.803 1.00 0.00 O ATOM 803 CB VAL A 50 0.286 -1.634 0.372 1.00 0.00 C ATOM 804 CG1 VAL A 50 1.259 -2.572 -0.328 1.00 0.00 C ATOM 805 CG2 VAL A 50 0.681 -1.438 1.829 1.00 0.00 C ATOM 0 H VAL A 50 -1.458 0.575 0.585 1.00 0.00 H new ATOM 0 HA VAL A 50 1.224 0.069 -0.556 1.00 0.00 H new ATOM 0 HB VAL A 50 -0.704 -2.090 0.345 1.00 0.00 H new ATOM 0 HG11 VAL A 50 1.297 -3.522 0.206 1.00 0.00 H new ATOM 0 HG12 VAL A 50 0.926 -2.744 -1.352 1.00 0.00 H new ATOM 0 HG13 VAL A 50 2.252 -2.123 -0.340 1.00 0.00 H new ATOM 0 HG21 VAL A 50 0.729 -2.407 2.326 1.00 0.00 H new ATOM 0 HG22 VAL A 50 1.657 -0.955 1.880 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -0.060 -0.812 2.326 1.00 0.00 H new ATOM 815 N LEU A 51 0.088 -1.104 -2.652 1.00 0.00 N ATOM 816 CA LEU A 51 -0.555 -1.329 -3.943 1.00 0.00 C ATOM 817 C LEU A 51 -0.202 -2.698 -4.513 1.00 0.00 C ATOM 818 O LEU A 51 0.814 -3.295 -4.153 1.00 0.00 O ATOM 819 CB LEU A 51 -0.160 -0.234 -4.938 1.00 0.00 C ATOM 820 CG LEU A 51 -1.053 -0.131 -6.176 1.00 0.00 C ATOM 821 CD1 LEU A 51 -2.505 0.064 -5.774 1.00 0.00 C ATOM 822 CD2 LEU A 51 -0.589 1.010 -7.071 1.00 0.00 C ATOM 0 H LEU A 51 1.034 -1.478 -2.575 1.00 0.00 H new ATOM 0 HA LEU A 51 -1.632 -1.296 -3.782 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -0.169 0.726 -4.421 1.00 0.00 H new ATOM 0 HB3 LEU A 51 0.865 -0.412 -5.262 1.00 0.00 H new ATOM 0 HG LEU A 51 -0.976 -1.063 -6.735 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -3.124 0.135 -6.669 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -2.833 -0.784 -5.172 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -2.602 0.981 -5.192 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -1.234 1.070 -7.947 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -0.638 1.949 -6.519 1.00 0.00 H new ATOM 0 HD23 LEU A 51 0.438 0.829 -7.388 1.00 0.00 H new ATOM 834 N ASP A 52 -1.054 -3.185 -5.406 1.00 0.00 N ATOM 835 CA ASP A 52 -0.859 -4.481 -6.045 1.00 0.00 C ATOM 836 C ASP A 52 -1.285 -4.411 -7.508 1.00 0.00 C ATOM 837 O ASP A 52 -2.391 -4.817 -7.864 1.00 0.00 O ATOM 838 CB ASP A 52 -1.659 -5.560 -5.309 1.00 0.00 C ATOM 839 CG ASP A 52 -0.818 -6.774 -4.963 1.00 0.00 C ATOM 840 OD1 ASP A 52 -0.535 -7.580 -5.874 1.00 0.00 O ATOM 841 OD2 ASP A 52 -0.444 -6.919 -3.780 1.00 0.00 O ATOM 0 H ASP A 52 -1.897 -2.695 -5.707 1.00 0.00 H new ATOM 0 HA ASP A 52 0.198 -4.741 -5.999 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -2.075 -5.138 -4.394 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -2.500 -5.870 -5.929 1.00 0.00 H new ATOM 846 N VAL A 53 -0.407 -3.870 -8.346 1.00 0.00 N ATOM 847 CA VAL A 53 -0.690 -3.719 -9.769 1.00 0.00 C ATOM 848 C VAL A 53 -0.822 -5.066 -10.477 1.00 0.00 C ATOM 849 O VAL A 53 -0.010 -5.410 -11.336 1.00 0.00 O ATOM 850 CB VAL A 53 0.402 -2.887 -10.470 1.00 0.00 C ATOM 851 CG1 VAL A 53 0.438 -1.475 -9.908 1.00 0.00 C ATOM 852 CG2 VAL A 53 1.761 -3.558 -10.331 1.00 0.00 C ATOM 0 H VAL A 53 0.511 -3.527 -8.063 1.00 0.00 H new ATOM 0 HA VAL A 53 -1.645 -3.198 -9.836 1.00 0.00 H new ATOM 0 HB VAL A 53 0.161 -2.827 -11.531 1.00 0.00 H new ATOM 0 HG11 VAL A 53 1.215 -0.902 -10.414 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -0.528 -0.996 -10.066 1.00 0.00 H new ATOM 0 HG13 VAL A 53 0.653 -1.514 -8.840 1.00 0.00 H new ATOM 0 HG21 VAL A 53 2.518 -2.955 -10.833 1.00 0.00 H new ATOM 0 HG22 VAL A 53 2.014 -3.653 -9.275 1.00 0.00 H new ATOM 0 HG23 VAL A 53 1.726 -4.548 -10.786 1.00 0.00 H new ATOM 862 N TRP A 54 -1.861 -5.819 -10.127 1.00 0.00 N ATOM 863 CA TRP A 54 -2.102 -7.114 -10.750 1.00 0.00 C ATOM 864 C TRP A 54 -2.471 -6.920 -12.218 1.00 0.00 C ATOM 865 O TRP A 54 -1.661 -7.163 -13.112 1.00 0.00 O ATOM 866 CB TRP A 54 -3.219 -7.859 -10.012 1.00 0.00 C ATOM 867 CG TRP A 54 -3.702 -9.083 -10.729 1.00 0.00 C ATOM 868 CD1 TRP A 54 -4.992 -9.386 -11.054 1.00 0.00 C ATOM 869 CD2 TRP A 54 -2.900 -10.168 -11.210 1.00 0.00 C ATOM 870 NE1 TRP A 54 -5.043 -10.592 -11.709 1.00 0.00 N ATOM 871 CE2 TRP A 54 -3.772 -11.092 -11.817 1.00 0.00 C ATOM 872 CE3 TRP A 54 -1.531 -10.445 -11.186 1.00 0.00 C ATOM 873 CZ2 TRP A 54 -3.316 -12.275 -12.395 1.00 0.00 C ATOM 874 CZ3 TRP A 54 -1.081 -11.619 -11.760 1.00 0.00 C ATOM 875 CH2 TRP A 54 -1.971 -12.521 -12.358 1.00 0.00 C ATOM 0 H TRP A 54 -2.546 -5.555 -9.419 1.00 0.00 H new ATOM 0 HA TRP A 54 -1.193 -7.712 -10.690 1.00 0.00 H new ATOM 0 HB2 TRP A 54 -2.861 -8.145 -9.023 1.00 0.00 H new ATOM 0 HB3 TRP A 54 -4.059 -7.181 -9.863 1.00 0.00 H new ATOM 0 HD1 TRP A 54 -5.848 -8.768 -10.829 1.00 0.00 H new ATOM 0 HE1 TRP A 54 -5.889 -11.042 -12.058 1.00 0.00 H new ATOM 0 HE3 TRP A 54 -0.838 -9.755 -10.728 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 -4.000 -12.973 -12.856 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 -0.025 -11.845 -11.747 1.00 0.00 H new ATOM 0 HH2 TRP A 54 -1.587 -13.429 -12.799 1.00 0.00 H new ATOM 886 N MET A 55 -3.696 -6.460 -12.453 1.00 0.00 N ATOM 887 CA MET A 55 -4.174 -6.208 -13.805 1.00 0.00 C ATOM 888 C MET A 55 -5.153 -5.031 -13.824 1.00 0.00 C ATOM 889 O MET A 55 -6.268 -5.152 -14.334 1.00 0.00 O ATOM 890 CB MET A 55 -4.842 -7.460 -14.377 1.00 0.00 C ATOM 891 CG MET A 55 -3.879 -8.379 -15.109 1.00 0.00 C ATOM 892 SD MET A 55 -4.700 -9.811 -15.836 1.00 0.00 S ATOM 893 CE MET A 55 -3.299 -10.692 -16.520 1.00 0.00 C ATOM 0 H MET A 55 -4.376 -6.254 -11.721 1.00 0.00 H new ATOM 0 HA MET A 55 -3.316 -5.953 -14.427 1.00 0.00 H new ATOM 0 HB2 MET A 55 -5.314 -8.013 -13.565 1.00 0.00 H new ATOM 0 HB3 MET A 55 -5.635 -7.159 -15.061 1.00 0.00 H new ATOM 0 HG2 MET A 55 -3.374 -7.817 -15.895 1.00 0.00 H new ATOM 0 HG3 MET A 55 -3.110 -8.719 -14.416 1.00 0.00 H new ATOM 0 HE1 MET A 55 -3.645 -11.605 -17.005 1.00 0.00 H new ATOM 0 HE2 MET A 55 -2.794 -10.061 -17.251 1.00 0.00 H new ATOM 0 HE3 MET A 55 -2.604 -10.947 -15.720 1.00 0.00 H new ATOM 903 N PRO A 56 -4.753 -3.873 -13.262 1.00 0.00 N ATOM 904 CA PRO A 56 -5.589 -2.682 -13.208 1.00 0.00 C ATOM 905 C PRO A 56 -5.404 -1.789 -14.433 1.00 0.00 C ATOM 906 O PRO A 56 -4.979 -2.251 -15.491 1.00 0.00 O ATOM 907 CB PRO A 56 -5.097 -1.965 -11.938 1.00 0.00 C ATOM 908 CG PRO A 56 -3.836 -2.665 -11.518 1.00 0.00 C ATOM 909 CD PRO A 56 -3.463 -3.614 -12.624 1.00 0.00 C ATOM 0 HA PRO A 56 -6.651 -2.926 -13.193 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -4.908 -0.910 -12.136 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -5.848 -2.012 -11.150 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -3.037 -1.945 -11.343 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -3.989 -3.205 -10.583 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -2.749 -3.170 -13.317 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -3.009 -4.527 -12.240 1.00 0.00 H new ATOM 917 N ASP A 57 -5.725 -0.507 -14.281 1.00 0.00 N ATOM 918 CA ASP A 57 -5.593 0.450 -15.374 1.00 0.00 C ATOM 919 C ASP A 57 -4.985 1.763 -14.889 1.00 0.00 C ATOM 920 O ASP A 57 -4.117 2.335 -15.548 1.00 0.00 O ATOM 921 CB ASP A 57 -6.957 0.714 -16.015 1.00 0.00 C ATOM 922 CG ASP A 57 -7.611 -0.555 -16.524 1.00 0.00 C ATOM 923 OD1 ASP A 57 -7.332 -0.946 -17.677 1.00 0.00 O ATOM 924 OD2 ASP A 57 -8.404 -1.158 -15.770 1.00 0.00 O ATOM 0 H ASP A 57 -6.078 -0.108 -13.411 1.00 0.00 H new ATOM 0 HA ASP A 57 -4.924 0.018 -16.118 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -7.612 1.190 -15.286 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -6.838 1.415 -16.841 1.00 0.00 H new ATOM 929 N GLY A 58 -5.444 2.238 -13.734 1.00 0.00 N ATOM 930 CA GLY A 58 -4.932 3.481 -13.186 1.00 0.00 C ATOM 931 C GLY A 58 -3.431 3.453 -12.979 1.00 0.00 C ATOM 932 O GLY A 58 -2.856 2.402 -12.695 1.00 0.00 O ATOM 0 H GLY A 58 -6.161 1.784 -13.168 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -5.187 4.302 -13.857 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -5.423 3.683 -12.234 1.00 0.00 H new ATOM 936 N ASP A 59 -2.795 4.612 -13.120 1.00 0.00 N ATOM 937 CA ASP A 59 -1.353 4.719 -12.946 1.00 0.00 C ATOM 938 C ASP A 59 -1.010 5.208 -11.543 1.00 0.00 C ATOM 939 O ASP A 59 -1.523 6.230 -11.089 1.00 0.00 O ATOM 940 CB ASP A 59 -0.760 5.667 -13.992 1.00 0.00 C ATOM 941 CG ASP A 59 -0.025 4.927 -15.092 1.00 0.00 C ATOM 942 OD1 ASP A 59 -0.589 3.950 -15.630 1.00 0.00 O ATOM 943 OD2 ASP A 59 1.114 5.324 -15.417 1.00 0.00 O ATOM 0 H ASP A 59 -3.257 5.490 -13.355 1.00 0.00 H new ATOM 0 HA ASP A 59 -0.921 3.728 -13.080 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -1.559 6.265 -14.431 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -0.075 6.360 -13.503 1.00 0.00 H new ATOM 948 N GLY A 60 -0.141 4.470 -10.860 1.00 0.00 N ATOM 949 CA GLY A 60 0.255 4.843 -9.516 1.00 0.00 C ATOM 950 C GLY A 60 1.249 5.990 -9.492 1.00 0.00 C ATOM 951 O GLY A 60 1.489 6.587 -8.444 1.00 0.00 O ATOM 0 H GLY A 60 0.296 3.619 -11.214 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -0.631 5.124 -8.946 1.00 0.00 H new ATOM 0 HA3 GLY A 60 0.693 3.978 -9.018 1.00 0.00 H new ATOM 955 N VAL A 61 1.830 6.300 -10.649 1.00 0.00 N ATOM 956 CA VAL A 61 2.802 7.378 -10.757 1.00 0.00 C ATOM 957 C VAL A 61 2.246 8.685 -10.199 1.00 0.00 C ATOM 958 O VAL A 61 2.924 9.390 -9.451 1.00 0.00 O ATOM 959 CB VAL A 61 3.221 7.593 -12.223 1.00 0.00 C ATOM 960 CG1 VAL A 61 4.369 8.578 -12.308 1.00 0.00 C ATOM 961 CG2 VAL A 61 3.598 6.272 -12.873 1.00 0.00 C ATOM 0 H VAL A 61 1.641 5.816 -11.527 1.00 0.00 H new ATOM 0 HA VAL A 61 3.673 7.085 -10.170 1.00 0.00 H new ATOM 0 HB VAL A 61 2.372 8.008 -12.765 1.00 0.00 H new ATOM 0 HG11 VAL A 61 4.652 8.718 -13.351 1.00 0.00 H new ATOM 0 HG12 VAL A 61 4.060 9.534 -11.884 1.00 0.00 H new ATOM 0 HG13 VAL A 61 5.222 8.192 -11.749 1.00 0.00 H new ATOM 0 HG21 VAL A 61 3.891 6.446 -13.908 1.00 0.00 H new ATOM 0 HG22 VAL A 61 4.431 5.824 -12.331 1.00 0.00 H new ATOM 0 HG23 VAL A 61 2.743 5.596 -12.847 1.00 0.00 H new ATOM 971 N ASN A 62 1.011 9.005 -10.568 1.00 0.00 N ATOM 972 CA ASN A 62 0.366 10.229 -10.104 1.00 0.00 C ATOM 973 C ASN A 62 -0.405 9.999 -8.802 1.00 0.00 C ATOM 974 O ASN A 62 -0.927 10.943 -8.210 1.00 0.00 O ATOM 975 CB ASN A 62 -0.577 10.770 -11.182 1.00 0.00 C ATOM 976 CG ASN A 62 -0.124 12.110 -11.727 1.00 0.00 C ATOM 977 OD1 ASN A 62 -0.697 13.150 -11.405 1.00 0.00 O ATOM 978 ND2 ASN A 62 0.913 12.089 -12.558 1.00 0.00 N ATOM 0 H ASN A 62 0.436 8.434 -11.187 1.00 0.00 H new ATOM 0 HA ASN A 62 1.148 10.962 -9.906 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -0.641 10.051 -11.999 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -1.580 10.870 -10.767 1.00 0.00 H new ATOM 0 HD21 ASN A 62 1.265 12.959 -12.957 1.00 0.00 H new ATOM 0 HD22 ASN A 62 1.357 11.202 -12.797 1.00 0.00 H new ATOM 985 N PHE A 63 -0.481 8.744 -8.362 1.00 0.00 N ATOM 986 CA PHE A 63 -1.197 8.410 -7.134 1.00 0.00 C ATOM 987 C PHE A 63 -0.411 8.840 -5.898 1.00 0.00 C ATOM 988 O PHE A 63 -0.991 9.297 -4.912 1.00 0.00 O ATOM 989 CB PHE A 63 -1.480 6.907 -7.071 1.00 0.00 C ATOM 990 CG PHE A 63 -2.315 6.508 -5.888 1.00 0.00 C ATOM 991 CD1 PHE A 63 -3.433 7.248 -5.535 1.00 0.00 C ATOM 992 CD2 PHE A 63 -1.981 5.400 -5.127 1.00 0.00 C ATOM 993 CE1 PHE A 63 -4.201 6.889 -4.445 1.00 0.00 C ATOM 994 CE2 PHE A 63 -2.747 5.036 -4.036 1.00 0.00 C ATOM 995 CZ PHE A 63 -3.859 5.781 -3.694 1.00 0.00 C ATOM 0 H PHE A 63 -0.058 7.946 -8.835 1.00 0.00 H new ATOM 0 HA PHE A 63 -2.142 8.953 -7.145 1.00 0.00 H new ATOM 0 HB2 PHE A 63 -1.989 6.602 -7.985 1.00 0.00 H new ATOM 0 HB3 PHE A 63 -0.534 6.367 -7.037 1.00 0.00 H new ATOM 0 HD1 PHE A 63 -3.706 8.115 -6.119 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -1.112 4.814 -5.389 1.00 0.00 H new ATOM 0 HE1 PHE A 63 -5.069 7.474 -4.180 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -2.476 4.169 -3.451 1.00 0.00 H new ATOM 0 HZ PHE A 63 -4.459 5.498 -2.842 1.00 0.00 H new ATOM 1005 N ILE A 64 0.910 8.692 -5.955 1.00 0.00 N ATOM 1006 CA ILE A 64 1.769 9.067 -4.834 1.00 0.00 C ATOM 1007 C ILE A 64 1.448 10.475 -4.339 1.00 0.00 C ATOM 1008 O ILE A 64 1.651 10.793 -3.167 1.00 0.00 O ATOM 1009 CB ILE A 64 3.261 8.993 -5.215 1.00 0.00 C ATOM 1010 CG1 ILE A 64 3.603 7.603 -5.759 1.00 0.00 C ATOM 1011 CG2 ILE A 64 4.135 9.328 -4.014 1.00 0.00 C ATOM 1012 CD1 ILE A 64 4.005 7.608 -7.217 1.00 0.00 C ATOM 0 H ILE A 64 1.408 8.317 -6.762 1.00 0.00 H new ATOM 0 HA ILE A 64 1.573 8.352 -4.035 1.00 0.00 H new ATOM 0 HB ILE A 64 3.457 9.727 -5.996 1.00 0.00 H new ATOM 0 HG12 ILE A 64 4.415 7.180 -5.168 1.00 0.00 H new ATOM 0 HG13 ILE A 64 2.741 6.949 -5.630 1.00 0.00 H new ATOM 0 HG21 ILE A 64 5.185 9.271 -4.301 1.00 0.00 H new ATOM 0 HG22 ILE A 64 3.908 10.336 -3.668 1.00 0.00 H new ATOM 0 HG23 ILE A 64 3.939 8.617 -3.212 1.00 0.00 H new ATOM 0 HD11 ILE A 64 4.233 6.591 -7.535 1.00 0.00 H new ATOM 0 HD12 ILE A 64 3.186 8.001 -7.819 1.00 0.00 H new ATOM 0 HD13 ILE A 64 4.886 8.236 -7.349 1.00 0.00 H new ATOM 1024 N ASP A 65 0.942 11.315 -5.237 1.00 0.00 N ATOM 1025 CA ASP A 65 0.593 12.685 -4.884 1.00 0.00 C ATOM 1026 C ASP A 65 -0.655 12.713 -4.010 1.00 0.00 C ATOM 1027 O ASP A 65 -0.735 13.488 -3.059 1.00 0.00 O ATOM 1028 CB ASP A 65 0.374 13.524 -6.144 1.00 0.00 C ATOM 1029 CG ASP A 65 0.949 14.921 -6.015 1.00 0.00 C ATOM 1030 OD1 ASP A 65 0.219 15.823 -5.553 1.00 0.00 O ATOM 1031 OD2 ASP A 65 2.129 15.113 -6.375 1.00 0.00 O ATOM 0 H ASP A 65 0.765 11.071 -6.211 1.00 0.00 H new ATOM 0 HA ASP A 65 1.421 13.113 -4.319 1.00 0.00 H new ATOM 0 HB2 ASP A 65 0.833 13.022 -6.996 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -0.694 13.591 -6.351 1.00 0.00 H new ATOM 1036 N PHE A 66 -1.620 11.857 -4.328 1.00 0.00 N ATOM 1037 CA PHE A 66 -2.850 11.785 -3.553 1.00 0.00 C ATOM 1038 C PHE A 66 -2.533 11.416 -2.110 1.00 0.00 C ATOM 1039 O PHE A 66 -3.075 11.999 -1.172 1.00 0.00 O ATOM 1040 CB PHE A 66 -3.813 10.760 -4.161 1.00 0.00 C ATOM 1041 CG PHE A 66 -5.020 10.486 -3.306 1.00 0.00 C ATOM 1042 CD1 PHE A 66 -4.941 9.612 -2.234 1.00 0.00 C ATOM 1043 CD2 PHE A 66 -6.229 11.108 -3.572 1.00 0.00 C ATOM 1044 CE1 PHE A 66 -6.044 9.362 -1.443 1.00 0.00 C ATOM 1045 CE2 PHE A 66 -7.338 10.861 -2.784 1.00 0.00 C ATOM 1046 CZ PHE A 66 -7.245 9.988 -1.717 1.00 0.00 C ATOM 0 H PHE A 66 -1.574 11.207 -5.113 1.00 0.00 H new ATOM 0 HA PHE A 66 -3.332 12.763 -3.574 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -4.143 11.118 -5.136 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -3.277 9.826 -4.329 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -4.005 9.120 -2.015 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -6.306 11.793 -4.403 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -5.969 8.678 -0.611 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -8.276 11.350 -3.002 1.00 0.00 H new ATOM 0 HZ PHE A 66 -8.109 9.795 -1.099 1.00 0.00 H new ATOM 1056 N ILE A 67 -1.637 10.449 -1.941 1.00 0.00 N ATOM 1057 CA ILE A 67 -1.235 10.012 -0.611 1.00 0.00 C ATOM 1058 C ILE A 67 -0.685 11.190 0.190 1.00 0.00 C ATOM 1059 O ILE A 67 -0.987 11.343 1.373 1.00 0.00 O ATOM 1060 CB ILE A 67 -0.177 8.885 -0.682 1.00 0.00 C ATOM 1061 CG1 ILE A 67 -0.815 7.593 -1.197 1.00 0.00 C ATOM 1062 CG2 ILE A 67 0.459 8.650 0.683 1.00 0.00 C ATOM 1063 CD1 ILE A 67 -1.006 7.563 -2.699 1.00 0.00 C ATOM 0 H ILE A 67 -1.177 9.955 -2.706 1.00 0.00 H new ATOM 0 HA ILE A 67 -2.119 9.617 -0.111 1.00 0.00 H new ATOM 0 HB ILE A 67 0.606 9.194 -1.375 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -0.192 6.748 -0.902 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -1.783 7.459 -0.714 1.00 0.00 H new ATOM 0 HG21 ILE A 67 1.199 7.853 0.607 1.00 0.00 H new ATOM 0 HG22 ILE A 67 0.945 9.566 1.021 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -0.311 8.363 1.399 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -1.463 6.617 -2.989 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -1.654 8.386 -3.000 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -0.039 7.664 -3.191 1.00 0.00 H new ATOM 1075 N LYS A 68 0.113 12.028 -0.462 1.00 0.00 N ATOM 1076 CA LYS A 68 0.685 13.192 0.200 1.00 0.00 C ATOM 1077 C LYS A 68 -0.322 14.339 0.237 1.00 0.00 C ATOM 1078 O LYS A 68 -0.247 15.218 1.097 1.00 0.00 O ATOM 1079 CB LYS A 68 1.963 13.639 -0.511 1.00 0.00 C ATOM 1080 CG LYS A 68 3.012 12.544 -0.619 1.00 0.00 C ATOM 1081 CD LYS A 68 4.393 13.049 -0.227 1.00 0.00 C ATOM 1082 CE LYS A 68 5.166 12.005 0.560 1.00 0.00 C ATOM 1083 NZ LYS A 68 5.134 12.276 2.024 1.00 0.00 N ATOM 0 H LYS A 68 0.377 11.924 -1.442 1.00 0.00 H new ATOM 0 HA LYS A 68 0.933 12.913 1.224 1.00 0.00 H new ATOM 0 HB2 LYS A 68 1.709 13.988 -1.512 1.00 0.00 H new ATOM 0 HB3 LYS A 68 2.389 14.488 0.024 1.00 0.00 H new ATOM 0 HG2 LYS A 68 2.734 11.709 0.023 1.00 0.00 H new ATOM 0 HG3 LYS A 68 3.039 12.165 -1.641 1.00 0.00 H new ATOM 0 HD2 LYS A 68 4.951 13.317 -1.124 1.00 0.00 H new ATOM 0 HD3 LYS A 68 4.294 13.956 0.370 1.00 0.00 H new ATOM 0 HE2 LYS A 68 4.746 11.018 0.364 1.00 0.00 H new ATOM 0 HE3 LYS A 68 6.201 11.985 0.217 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 5.673 11.541 2.525 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 5.558 13.206 2.214 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 4.149 12.270 2.357 1.00 0.00 H new ATOM 1097 N GLU A 69 -1.269 14.319 -0.698 1.00 0.00 N ATOM 1098 CA GLU A 69 -2.296 15.350 -0.771 1.00 0.00 C ATOM 1099 C GLU A 69 -3.215 15.289 0.445 1.00 0.00 C ATOM 1100 O GLU A 69 -3.812 16.292 0.836 1.00 0.00 O ATOM 1101 CB GLU A 69 -3.115 15.190 -2.051 1.00 0.00 C ATOM 1102 CG GLU A 69 -3.970 16.403 -2.382 1.00 0.00 C ATOM 1103 CD GLU A 69 -4.292 16.503 -3.859 1.00 0.00 C ATOM 1104 OE1 GLU A 69 -4.537 15.451 -4.486 1.00 0.00 O ATOM 1105 OE2 GLU A 69 -4.299 17.634 -4.390 1.00 0.00 O ATOM 0 H GLU A 69 -1.345 13.598 -1.416 1.00 0.00 H new ATOM 0 HA GLU A 69 -1.802 16.321 -0.782 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -2.439 14.995 -2.883 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -3.760 14.317 -1.953 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -4.899 16.354 -1.814 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -3.450 17.307 -2.065 1.00 0.00 H new ATOM 1112 N ASN A 70 -3.322 14.104 1.038 1.00 0.00 N ATOM 1113 CA ASN A 70 -4.165 13.909 2.212 1.00 0.00 C ATOM 1114 C ASN A 70 -3.467 13.030 3.248 1.00 0.00 C ATOM 1115 O ASN A 70 -4.107 12.504 4.160 1.00 0.00 O ATOM 1116 CB ASN A 70 -5.507 13.280 1.812 1.00 0.00 C ATOM 1117 CG ASN A 70 -5.422 12.471 0.532 1.00 0.00 C ATOM 1118 OD1 ASN A 70 -5.507 11.243 0.552 1.00 0.00 O ATOM 1119 ND2 ASN A 70 -5.252 13.159 -0.593 1.00 0.00 N ATOM 0 H ASN A 70 -2.835 13.264 0.725 1.00 0.00 H new ATOM 0 HA ASN A 70 -4.350 14.887 2.657 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -5.856 12.637 2.620 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -6.250 14.068 1.689 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -5.187 12.669 -1.485 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -5.187 14.176 -0.564 1.00 0.00 H new ATOM 1126 N SER A 71 -2.152 12.876 3.107 1.00 0.00 N ATOM 1127 CA SER A 71 -1.373 12.064 4.033 1.00 0.00 C ATOM 1128 C SER A 71 0.124 12.289 3.823 1.00 0.00 C ATOM 1129 O SER A 71 0.836 11.402 3.352 1.00 0.00 O ATOM 1130 CB SER A 71 -1.716 10.583 3.857 1.00 0.00 C ATOM 1131 OG SER A 71 -2.512 10.112 4.931 1.00 0.00 O ATOM 0 H SER A 71 -1.606 13.304 2.360 1.00 0.00 H new ATOM 0 HA SER A 71 -1.626 12.365 5.050 1.00 0.00 H new ATOM 0 HB2 SER A 71 -2.247 10.439 2.916 1.00 0.00 H new ATOM 0 HB3 SER A 71 -0.798 9.999 3.797 1.00 0.00 H new ATOM 0 HG SER A 71 -2.476 10.754 5.671 1.00 0.00 H new ATOM 1137 N PRO A 72 0.622 13.487 4.173 1.00 0.00 N ATOM 1138 CA PRO A 72 2.039 13.832 4.022 1.00 0.00 C ATOM 1139 C PRO A 72 2.927 13.027 4.958 1.00 0.00 C ATOM 1140 O PRO A 72 4.132 12.893 4.737 1.00 0.00 O ATOM 1141 CB PRO A 72 2.102 15.324 4.378 1.00 0.00 C ATOM 1142 CG PRO A 72 0.685 15.794 4.391 1.00 0.00 C ATOM 1143 CD PRO A 72 -0.151 14.599 4.739 1.00 0.00 C ATOM 0 HA PRO A 72 2.400 13.613 3.017 1.00 0.00 H new ATOM 0 HB2 PRO A 72 2.574 15.476 5.349 1.00 0.00 H new ATOM 0 HB3 PRO A 72 2.692 15.877 3.647 1.00 0.00 H new ATOM 0 HG2 PRO A 72 0.546 16.591 5.121 1.00 0.00 H new ATOM 0 HG3 PRO A 72 0.400 16.198 3.420 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -0.280 14.495 5.816 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -1.148 14.662 4.303 1.00 0.00 H new ATOM 1151 N ASP A 73 2.317 12.494 6.000 1.00 0.00 N ATOM 1152 CA ASP A 73 3.030 11.694 6.987 1.00 0.00 C ATOM 1153 C ASP A 73 2.650 10.220 6.869 1.00 0.00 C ATOM 1154 O ASP A 73 2.491 9.527 7.873 1.00 0.00 O ATOM 1155 CB ASP A 73 2.731 12.204 8.394 1.00 0.00 C ATOM 1156 CG ASP A 73 3.990 12.556 9.163 1.00 0.00 C ATOM 1157 OD1 ASP A 73 4.626 11.634 9.716 1.00 0.00 O ATOM 1158 OD2 ASP A 73 4.338 13.755 9.214 1.00 0.00 O ATOM 0 H ASP A 73 1.320 12.600 6.188 1.00 0.00 H new ATOM 0 HA ASP A 73 4.099 11.788 6.796 1.00 0.00 H new ATOM 0 HB2 ASP A 73 2.090 13.083 8.330 1.00 0.00 H new ATOM 0 HB3 ASP A 73 2.175 11.444 8.942 1.00 0.00 H new ATOM 1163 N SER A 74 2.501 9.749 5.635 1.00 0.00 N ATOM 1164 CA SER A 74 2.134 8.360 5.387 1.00 0.00 C ATOM 1165 C SER A 74 3.208 7.639 4.574 1.00 0.00 C ATOM 1166 O SER A 74 4.206 8.238 4.172 1.00 0.00 O ATOM 1167 CB SER A 74 0.793 8.291 4.654 1.00 0.00 C ATOM 1168 OG SER A 74 0.479 6.960 4.282 1.00 0.00 O ATOM 0 H SER A 74 2.629 10.309 4.792 1.00 0.00 H new ATOM 0 HA SER A 74 2.044 7.860 6.352 1.00 0.00 H new ATOM 0 HB2 SER A 74 0.005 8.688 5.294 1.00 0.00 H new ATOM 0 HB3 SER A 74 0.829 8.921 3.765 1.00 0.00 H new ATOM 0 HG SER A 74 -0.408 6.725 4.625 1.00 0.00 H new ATOM 1174 N VAL A 75 2.991 6.349 4.336 1.00 0.00 N ATOM 1175 CA VAL A 75 3.929 5.535 3.575 1.00 0.00 C ATOM 1176 C VAL A 75 3.353 5.211 2.196 1.00 0.00 C ATOM 1177 O VAL A 75 2.221 5.588 1.887 1.00 0.00 O ATOM 1178 CB VAL A 75 4.282 4.230 4.326 1.00 0.00 C ATOM 1179 CG1 VAL A 75 5.580 3.633 3.799 1.00 0.00 C ATOM 1180 CG2 VAL A 75 4.387 4.486 5.824 1.00 0.00 C ATOM 0 H VAL A 75 2.167 5.843 4.662 1.00 0.00 H new ATOM 0 HA VAL A 75 4.847 6.110 3.452 1.00 0.00 H new ATOM 0 HB VAL A 75 3.480 3.513 4.151 1.00 0.00 H new ATOM 0 HG11 VAL A 75 5.806 2.716 4.343 1.00 0.00 H new ATOM 0 HG12 VAL A 75 5.473 3.408 2.738 1.00 0.00 H new ATOM 0 HG13 VAL A 75 6.392 4.347 3.938 1.00 0.00 H new ATOM 0 HG21 VAL A 75 4.636 3.556 6.335 1.00 0.00 H new ATOM 0 HG22 VAL A 75 5.166 5.224 6.013 1.00 0.00 H new ATOM 0 HG23 VAL A 75 3.434 4.861 6.197 1.00 0.00 H new ATOM 1190 N VAL A 76 4.121 4.492 1.381 1.00 0.00 N ATOM 1191 CA VAL A 76 3.684 4.104 0.043 1.00 0.00 C ATOM 1192 C VAL A 76 4.463 2.880 -0.430 1.00 0.00 C ATOM 1193 O VAL A 76 5.415 2.996 -1.202 1.00 0.00 O ATOM 1194 CB VAL A 76 3.895 5.244 -0.972 1.00 0.00 C ATOM 1195 CG1 VAL A 76 2.845 5.188 -2.072 1.00 0.00 C ATOM 1196 CG2 VAL A 76 3.888 6.591 -0.270 1.00 0.00 C ATOM 0 H VAL A 76 5.055 4.165 1.627 1.00 0.00 H new ATOM 0 HA VAL A 76 2.620 3.875 0.102 1.00 0.00 H new ATOM 0 HB VAL A 76 4.871 5.115 -1.439 1.00 0.00 H new ATOM 0 HG11 VAL A 76 3.013 6.002 -2.777 1.00 0.00 H new ATOM 0 HG12 VAL A 76 2.916 4.234 -2.595 1.00 0.00 H new ATOM 0 HG13 VAL A 76 1.852 5.288 -1.633 1.00 0.00 H new ATOM 0 HG21 VAL A 76 4.038 7.384 -1.003 1.00 0.00 H new ATOM 0 HG22 VAL A 76 2.930 6.736 0.230 1.00 0.00 H new ATOM 0 HG23 VAL A 76 4.690 6.621 0.467 1.00 0.00 H new ATOM 1206 N ILE A 77 4.062 1.711 0.047 1.00 0.00 N ATOM 1207 CA ILE A 77 4.733 0.469 -0.318 1.00 0.00 C ATOM 1208 C ILE A 77 4.633 0.203 -1.817 1.00 0.00 C ATOM 1209 O ILE A 77 5.643 -0.021 -2.483 1.00 0.00 O ATOM 1210 CB ILE A 77 4.146 -0.727 0.455 1.00 0.00 C ATOM 1211 CG1 ILE A 77 4.094 -0.415 1.953 1.00 0.00 C ATOM 1212 CG2 ILE A 77 4.967 -1.982 0.197 1.00 0.00 C ATOM 1213 CD1 ILE A 77 5.457 -0.191 2.573 1.00 0.00 C ATOM 0 H ILE A 77 3.276 1.595 0.687 1.00 0.00 H new ATOM 0 HA ILE A 77 5.784 0.584 -0.051 1.00 0.00 H new ATOM 0 HB ILE A 77 3.130 -0.905 0.103 1.00 0.00 H new ATOM 0 HG12 ILE A 77 3.482 0.474 2.110 1.00 0.00 H new ATOM 0 HG13 ILE A 77 3.600 -1.237 2.470 1.00 0.00 H new ATOM 0 HG21 ILE A 77 4.538 -2.817 0.751 1.00 0.00 H new ATOM 0 HG22 ILE A 77 4.958 -2.210 -0.869 1.00 0.00 H new ATOM 0 HG23 ILE A 77 5.994 -1.819 0.524 1.00 0.00 H new ATOM 0 HD11 ILE A 77 5.342 0.025 3.635 1.00 0.00 H new ATOM 0 HD12 ILE A 77 6.065 -1.087 2.448 1.00 0.00 H new ATOM 0 HD13 ILE A 77 5.946 0.651 2.082 1.00 0.00 H new ATOM 1225 N VAL A 78 3.410 0.228 -2.341 1.00 0.00 N ATOM 1226 CA VAL A 78 3.175 -0.012 -3.763 1.00 0.00 C ATOM 1227 C VAL A 78 3.970 -1.220 -4.258 1.00 0.00 C ATOM 1228 O VAL A 78 5.113 -1.088 -4.695 1.00 0.00 O ATOM 1229 CB VAL A 78 3.532 1.227 -4.612 1.00 0.00 C ATOM 1230 CG1 VAL A 78 2.954 1.094 -6.013 1.00 0.00 C ATOM 1231 CG2 VAL A 78 3.029 2.498 -3.943 1.00 0.00 C ATOM 0 H VAL A 78 2.565 0.412 -1.801 1.00 0.00 H new ATOM 0 HA VAL A 78 2.111 -0.218 -3.879 1.00 0.00 H new ATOM 0 HB VAL A 78 4.617 1.290 -4.691 1.00 0.00 H new ATOM 0 HG11 VAL A 78 3.214 1.975 -6.599 1.00 0.00 H new ATOM 0 HG12 VAL A 78 3.364 0.205 -6.493 1.00 0.00 H new ATOM 0 HG13 VAL A 78 1.869 1.006 -5.952 1.00 0.00 H new ATOM 0 HG21 VAL A 78 3.290 3.360 -4.557 1.00 0.00 H new ATOM 0 HG22 VAL A 78 1.946 2.447 -3.832 1.00 0.00 H new ATOM 0 HG23 VAL A 78 3.490 2.599 -2.960 1.00 0.00 H new ATOM 1241 N ILE A 79 3.357 -2.398 -4.169 1.00 0.00 N ATOM 1242 CA ILE A 79 4.005 -3.638 -4.587 1.00 0.00 C ATOM 1243 C ILE A 79 3.466 -4.130 -5.931 1.00 0.00 C ATOM 1244 O ILE A 79 2.442 -3.648 -6.414 1.00 0.00 O ATOM 1245 CB ILE A 79 3.801 -4.747 -3.531 1.00 0.00 C ATOM 1246 CG1 ILE A 79 4.017 -4.189 -2.123 1.00 0.00 C ATOM 1247 CG2 ILE A 79 4.738 -5.916 -3.789 1.00 0.00 C ATOM 1248 CD1 ILE A 79 3.711 -5.184 -1.026 1.00 0.00 C ATOM 0 H ILE A 79 2.410 -2.520 -3.810 1.00 0.00 H new ATOM 0 HA ILE A 79 5.068 -3.420 -4.691 1.00 0.00 H new ATOM 0 HB ILE A 79 2.776 -5.109 -3.608 1.00 0.00 H new ATOM 0 HG12 ILE A 79 5.052 -3.860 -2.026 1.00 0.00 H new ATOM 0 HG13 ILE A 79 3.389 -3.308 -1.989 1.00 0.00 H new ATOM 0 HG21 ILE A 79 4.577 -6.685 -3.033 1.00 0.00 H new ATOM 0 HG22 ILE A 79 4.539 -6.331 -4.777 1.00 0.00 H new ATOM 0 HG23 ILE A 79 5.771 -5.572 -3.742 1.00 0.00 H new ATOM 0 HD11 ILE A 79 3.886 -4.720 -0.055 1.00 0.00 H new ATOM 0 HD12 ILE A 79 2.669 -5.495 -1.097 1.00 0.00 H new ATOM 0 HD13 ILE A 79 4.357 -6.055 -1.134 1.00 0.00 H new ATOM 1260 N THR A 80 4.170 -5.099 -6.525 1.00 0.00 N ATOM 1261 CA THR A 80 3.784 -5.683 -7.811 1.00 0.00 C ATOM 1262 C THR A 80 4.294 -4.846 -8.978 1.00 0.00 C ATOM 1263 O THR A 80 4.397 -3.623 -8.885 1.00 0.00 O ATOM 1264 CB THR A 80 2.266 -5.846 -7.911 1.00 0.00 C ATOM 1265 OG1 THR A 80 1.724 -6.264 -6.671 1.00 0.00 O ATOM 1266 CG2 THR A 80 1.840 -6.851 -8.961 1.00 0.00 C ATOM 0 H THR A 80 5.021 -5.499 -6.128 1.00 0.00 H new ATOM 0 HA THR A 80 4.245 -6.669 -7.866 1.00 0.00 H new ATOM 0 HB THR A 80 1.888 -4.864 -8.196 1.00 0.00 H new ATOM 0 HG1 THR A 80 0.918 -6.799 -6.830 1.00 0.00 H new ATOM 0 HG21 THR A 80 0.752 -6.918 -8.980 1.00 0.00 H new ATOM 0 HG22 THR A 80 2.201 -6.531 -9.938 1.00 0.00 H new ATOM 0 HG23 THR A 80 2.260 -7.828 -8.721 1.00 0.00 H new ATOM 1317 N VAL A 85 7.861 -3.036 -14.583 1.00 0.00 N ATOM 1318 CA VAL A 85 8.848 -2.856 -13.525 1.00 0.00 C ATOM 1319 C VAL A 85 9.293 -1.400 -13.436 1.00 0.00 C ATOM 1320 O VAL A 85 9.614 -0.904 -12.356 1.00 0.00 O ATOM 1321 CB VAL A 85 10.085 -3.748 -13.750 1.00 0.00 C ATOM 1322 CG1 VAL A 85 11.040 -3.647 -12.570 1.00 0.00 C ATOM 1323 CG2 VAL A 85 9.668 -5.192 -13.984 1.00 0.00 C ATOM 0 HA VAL A 85 8.368 -3.146 -12.590 1.00 0.00 H new ATOM 0 HB VAL A 85 10.606 -3.395 -14.640 1.00 0.00 H new ATOM 0 HG11 VAL A 85 11.907 -4.284 -12.748 1.00 0.00 H new ATOM 0 HG12 VAL A 85 11.367 -2.614 -12.454 1.00 0.00 H new ATOM 0 HG13 VAL A 85 10.532 -3.971 -11.662 1.00 0.00 H new ATOM 0 HG21 VAL A 85 10.555 -5.806 -14.141 1.00 0.00 H new ATOM 0 HG22 VAL A 85 9.122 -5.558 -13.115 1.00 0.00 H new ATOM 0 HG23 VAL A 85 9.028 -5.248 -14.864 1.00 0.00 H new ATOM 1333 N ASP A 86 9.307 -0.720 -14.577 1.00 0.00 N ATOM 1334 CA ASP A 86 9.710 0.680 -14.627 1.00 0.00 C ATOM 1335 C ASP A 86 8.761 1.547 -13.807 1.00 0.00 C ATOM 1336 O ASP A 86 9.178 2.540 -13.211 1.00 0.00 O ATOM 1337 CB ASP A 86 9.750 1.172 -16.074 1.00 0.00 C ATOM 1338 CG ASP A 86 10.224 2.608 -16.185 1.00 0.00 C ATOM 1339 OD1 ASP A 86 9.603 3.488 -15.553 1.00 0.00 O ATOM 1340 OD2 ASP A 86 11.216 2.852 -16.904 1.00 0.00 O ATOM 0 H ASP A 86 9.044 -1.116 -15.480 1.00 0.00 H new ATOM 0 HA ASP A 86 10.709 0.760 -14.198 1.00 0.00 H new ATOM 0 HB2 ASP A 86 10.411 0.529 -16.655 1.00 0.00 H new ATOM 0 HB3 ASP A 86 8.755 1.086 -16.511 1.00 0.00 H new ATOM 1345 N THR A 87 7.483 1.166 -13.765 1.00 0.00 N ATOM 1346 CA THR A 87 6.496 1.919 -12.999 1.00 0.00 C ATOM 1347 C THR A 87 6.985 2.113 -11.570 1.00 0.00 C ATOM 1348 O THR A 87 6.743 3.146 -10.949 1.00 0.00 O ATOM 1349 CB THR A 87 5.141 1.197 -13.009 1.00 0.00 C ATOM 1350 OG1 THR A 87 4.079 2.129 -12.913 1.00 0.00 O ATOM 1351 CG2 THR A 87 4.969 0.195 -11.880 1.00 0.00 C ATOM 0 H THR A 87 7.112 0.348 -14.248 1.00 0.00 H new ATOM 0 HA THR A 87 6.365 2.897 -13.462 1.00 0.00 H new ATOM 0 HB THR A 87 5.119 0.655 -13.954 1.00 0.00 H new ATOM 0 HG1 THR A 87 3.223 1.652 -12.923 1.00 0.00 H new ATOM 0 HG21 THR A 87 3.988 -0.273 -11.955 1.00 0.00 H new ATOM 0 HG22 THR A 87 5.742 -0.570 -11.951 1.00 0.00 H new ATOM 0 HG23 THR A 87 5.054 0.708 -10.922 1.00 0.00 H new ATOM 1359 N ALA A 88 7.689 1.105 -11.066 1.00 0.00 N ATOM 1360 CA ALA A 88 8.237 1.153 -9.721 1.00 0.00 C ATOM 1361 C ALA A 88 9.125 2.373 -9.557 1.00 0.00 C ATOM 1362 O ALA A 88 8.861 3.250 -8.737 1.00 0.00 O ATOM 1363 CB ALA A 88 9.029 -0.113 -9.433 1.00 0.00 C ATOM 0 H ALA A 88 7.892 0.244 -11.573 1.00 0.00 H new ATOM 0 HA ALA A 88 7.413 1.223 -9.011 1.00 0.00 H new ATOM 0 HB1 ALA A 88 9.435 -0.066 -8.423 1.00 0.00 H new ATOM 0 HB2 ALA A 88 8.374 -0.980 -9.521 1.00 0.00 H new ATOM 0 HB3 ALA A 88 9.846 -0.202 -10.149 1.00 0.00 H new ATOM 1369 N VAL A 89 10.179 2.420 -10.358 1.00 0.00 N ATOM 1370 CA VAL A 89 11.117 3.527 -10.322 1.00 0.00 C ATOM 1371 C VAL A 89 10.433 4.844 -10.684 1.00 0.00 C ATOM 1372 O VAL A 89 10.908 5.919 -10.322 1.00 0.00 O ATOM 1373 CB VAL A 89 12.293 3.279 -11.286 1.00 0.00 C ATOM 1374 CG1 VAL A 89 13.038 2.013 -10.895 1.00 0.00 C ATOM 1375 CG2 VAL A 89 11.800 3.186 -12.724 1.00 0.00 C ATOM 0 H VAL A 89 10.405 1.699 -11.043 1.00 0.00 H new ATOM 0 HA VAL A 89 11.497 3.598 -9.303 1.00 0.00 H new ATOM 0 HB VAL A 89 12.980 4.122 -11.215 1.00 0.00 H new ATOM 0 HG11 VAL A 89 13.866 1.850 -11.585 1.00 0.00 H new ATOM 0 HG12 VAL A 89 13.425 2.117 -9.881 1.00 0.00 H new ATOM 0 HG13 VAL A 89 12.358 1.162 -10.938 1.00 0.00 H new ATOM 0 HG21 VAL A 89 12.646 3.011 -13.388 1.00 0.00 H new ATOM 0 HG22 VAL A 89 11.092 2.362 -12.813 1.00 0.00 H new ATOM 0 HG23 VAL A 89 11.308 4.119 -13.001 1.00 0.00 H new ATOM 1385 N LYS A 90 9.316 4.750 -11.398 1.00 0.00 N ATOM 1386 CA LYS A 90 8.566 5.931 -11.808 1.00 0.00 C ATOM 1387 C LYS A 90 7.598 6.375 -10.715 1.00 0.00 C ATOM 1388 O LYS A 90 7.220 7.545 -10.645 1.00 0.00 O ATOM 1389 CB LYS A 90 7.794 5.645 -13.099 1.00 0.00 C ATOM 1390 CG LYS A 90 6.950 6.816 -13.573 1.00 0.00 C ATOM 1391 CD LYS A 90 6.470 6.617 -15.002 1.00 0.00 C ATOM 1392 CE LYS A 90 6.080 7.935 -15.651 1.00 0.00 C ATOM 1393 NZ LYS A 90 4.661 7.935 -16.102 1.00 0.00 N ATOM 0 H LYS A 90 8.910 3.866 -11.705 1.00 0.00 H new ATOM 0 HA LYS A 90 9.278 6.737 -11.984 1.00 0.00 H new ATOM 0 HB2 LYS A 90 8.501 5.376 -13.884 1.00 0.00 H new ATOM 0 HB3 LYS A 90 7.148 4.781 -12.943 1.00 0.00 H new ATOM 0 HG2 LYS A 90 6.091 6.937 -12.913 1.00 0.00 H new ATOM 0 HG3 LYS A 90 7.533 7.735 -13.509 1.00 0.00 H new ATOM 0 HD2 LYS A 90 7.257 6.141 -15.588 1.00 0.00 H new ATOM 0 HD3 LYS A 90 5.615 5.941 -15.008 1.00 0.00 H new ATOM 0 HE2 LYS A 90 6.235 8.748 -14.942 1.00 0.00 H new ATOM 0 HE3 LYS A 90 6.732 8.126 -16.504 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 4.520 8.688 -16.805 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 4.433 7.015 -16.530 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 4.038 8.102 -15.286 1.00 0.00 H new ATOM 1407 N ALA A 91 7.195 5.434 -9.866 1.00 0.00 N ATOM 1408 CA ALA A 91 6.265 5.730 -8.785 1.00 0.00 C ATOM 1409 C ALA A 91 6.991 5.935 -7.459 1.00 0.00 C ATOM 1410 O ALA A 91 6.492 6.626 -6.571 1.00 0.00 O ATOM 1411 CB ALA A 91 5.238 4.614 -8.657 1.00 0.00 C ATOM 0 H ALA A 91 7.499 4.461 -9.907 1.00 0.00 H new ATOM 0 HA ALA A 91 5.754 6.661 -9.030 1.00 0.00 H new ATOM 0 HB1 ALA A 91 4.548 4.846 -7.846 1.00 0.00 H new ATOM 0 HB2 ALA A 91 4.683 4.522 -9.590 1.00 0.00 H new ATOM 0 HB3 ALA A 91 5.747 3.674 -8.443 1.00 0.00 H new ATOM 1417 N ILE A 92 8.166 5.327 -7.324 1.00 0.00 N ATOM 1418 CA ILE A 92 8.943 5.446 -6.095 1.00 0.00 C ATOM 1419 C ILE A 92 9.884 6.651 -6.143 1.00 0.00 C ATOM 1420 O ILE A 92 10.376 7.104 -5.110 1.00 0.00 O ATOM 1421 CB ILE A 92 9.748 4.157 -5.797 1.00 0.00 C ATOM 1422 CG1 ILE A 92 11.039 4.103 -6.624 1.00 0.00 C ATOM 1423 CG2 ILE A 92 8.893 2.925 -6.070 1.00 0.00 C ATOM 1424 CD1 ILE A 92 11.817 2.814 -6.448 1.00 0.00 C ATOM 0 H ILE A 92 8.599 4.750 -8.046 1.00 0.00 H new ATOM 0 HA ILE A 92 8.228 5.596 -5.286 1.00 0.00 H new ATOM 0 HB ILE A 92 10.025 4.170 -4.743 1.00 0.00 H new ATOM 0 HG12 ILE A 92 10.791 4.227 -7.678 1.00 0.00 H new ATOM 0 HG13 ILE A 92 11.675 4.943 -6.345 1.00 0.00 H new ATOM 0 HG21 ILE A 92 9.471 2.026 -5.856 1.00 0.00 H new ATOM 0 HG22 ILE A 92 8.009 2.947 -5.433 1.00 0.00 H new ATOM 0 HG23 ILE A 92 8.587 2.919 -7.116 1.00 0.00 H new ATOM 0 HD11 ILE A 92 12.717 2.846 -7.062 1.00 0.00 H new ATOM 0 HD12 ILE A 92 12.096 2.697 -5.401 1.00 0.00 H new ATOM 0 HD13 ILE A 92 11.198 1.971 -6.755 1.00 0.00 H new ATOM 1436 N LYS A 93 10.122 7.171 -7.344 1.00 0.00 N ATOM 1437 CA LYS A 93 10.993 8.328 -7.513 1.00 0.00 C ATOM 1438 C LYS A 93 10.313 9.588 -6.986 1.00 0.00 C ATOM 1439 O LYS A 93 10.971 10.495 -6.477 1.00 0.00 O ATOM 1440 CB LYS A 93 11.361 8.509 -8.987 1.00 0.00 C ATOM 1441 CG LYS A 93 12.743 7.984 -9.339 1.00 0.00 C ATOM 1442 CD LYS A 93 13.243 8.568 -10.651 1.00 0.00 C ATOM 1443 CE LYS A 93 13.940 7.516 -11.500 1.00 0.00 C ATOM 1444 NZ LYS A 93 15.014 6.814 -10.745 1.00 0.00 N ATOM 0 H LYS A 93 9.725 6.810 -8.211 1.00 0.00 H new ATOM 0 HA LYS A 93 11.906 8.157 -6.942 1.00 0.00 H new ATOM 0 HB2 LYS A 93 10.620 7.999 -9.603 1.00 0.00 H new ATOM 0 HB3 LYS A 93 11.309 9.568 -9.238 1.00 0.00 H new ATOM 0 HG2 LYS A 93 13.442 8.231 -8.540 1.00 0.00 H new ATOM 0 HG3 LYS A 93 12.713 6.897 -9.411 1.00 0.00 H new ATOM 0 HD2 LYS A 93 12.404 8.988 -11.206 1.00 0.00 H new ATOM 0 HD3 LYS A 93 13.932 9.387 -10.447 1.00 0.00 H new ATOM 0 HE2 LYS A 93 13.208 6.789 -11.850 1.00 0.00 H new ATOM 0 HE3 LYS A 93 14.368 7.988 -12.384 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 15.664 6.354 -11.413 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 15.540 7.502 -10.169 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 14.589 6.095 -10.125 1.00 0.00 H new ATOM 1458 N LYS A 94 8.990 9.633 -7.114 1.00 0.00 N ATOM 1459 CA LYS A 94 8.216 10.778 -6.652 1.00 0.00 C ATOM 1460 C LYS A 94 8.308 10.919 -5.136 1.00 0.00 C ATOM 1461 O LYS A 94 8.802 11.925 -4.627 1.00 0.00 O ATOM 1462 CB LYS A 94 6.754 10.636 -7.077 1.00 0.00 C ATOM 1463 CG LYS A 94 5.904 11.850 -6.743 1.00 0.00 C ATOM 1464 CD LYS A 94 4.591 11.838 -7.507 1.00 0.00 C ATOM 1465 CE LYS A 94 4.787 12.241 -8.960 1.00 0.00 C ATOM 1466 NZ LYS A 94 4.410 13.661 -9.199 1.00 0.00 N ATOM 0 H LYS A 94 8.433 8.889 -7.534 1.00 0.00 H new ATOM 0 HA LYS A 94 8.633 11.676 -7.108 1.00 0.00 H new ATOM 0 HB2 LYS A 94 6.712 10.458 -8.152 1.00 0.00 H new ATOM 0 HB3 LYS A 94 6.327 9.759 -6.592 1.00 0.00 H new ATOM 0 HG2 LYS A 94 5.703 11.871 -5.672 1.00 0.00 H new ATOM 0 HG3 LYS A 94 6.456 12.759 -6.981 1.00 0.00 H new ATOM 0 HD2 LYS A 94 4.151 10.842 -7.461 1.00 0.00 H new ATOM 0 HD3 LYS A 94 3.886 12.520 -7.031 1.00 0.00 H new ATOM 0 HE2 LYS A 94 5.829 12.090 -9.241 1.00 0.00 H new ATOM 0 HE3 LYS A 94 4.187 11.594 -9.600 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 4.558 13.896 -10.201 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 3.409 13.800 -8.955 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 4.999 14.281 -8.608 1.00 0.00 H new ATOM 1480 N GLY A 95 7.828 9.906 -4.420 1.00 0.00 N ATOM 1481 CA GLY A 95 7.871 9.946 -2.971 1.00 0.00 C ATOM 1482 C GLY A 95 7.283 8.704 -2.326 1.00 0.00 C ATOM 1483 O GLY A 95 6.693 8.781 -1.248 1.00 0.00 O ATOM 0 H GLY A 95 7.412 9.063 -4.816 1.00 0.00 H new ATOM 0 HA2 GLY A 95 8.905 10.062 -2.647 1.00 0.00 H new ATOM 0 HA3 GLY A 95 7.327 10.823 -2.621 1.00 0.00 H new ATOM 1487 N ALA A 96 7.444 7.556 -2.978 1.00 0.00 N ATOM 1488 CA ALA A 96 6.924 6.302 -2.444 1.00 0.00 C ATOM 1489 C ALA A 96 7.960 5.616 -1.561 1.00 0.00 C ATOM 1490 O ALA A 96 9.058 6.134 -1.359 1.00 0.00 O ATOM 1491 CB ALA A 96 6.490 5.374 -3.571 1.00 0.00 C ATOM 0 H ALA A 96 7.928 7.468 -3.872 1.00 0.00 H new ATOM 0 HA ALA A 96 6.052 6.534 -1.832 1.00 0.00 H new ATOM 0 HB1 ALA A 96 6.106 4.445 -3.150 1.00 0.00 H new ATOM 0 HB2 ALA A 96 5.709 5.856 -4.159 1.00 0.00 H new ATOM 0 HB3 ALA A 96 7.344 5.156 -4.212 1.00 0.00 H new ATOM 1497 N TYR A 97 7.603 4.450 -1.034 1.00 0.00 N ATOM 1498 CA TYR A 97 8.503 3.694 -0.170 1.00 0.00 C ATOM 1499 C TYR A 97 9.213 2.594 -0.948 1.00 0.00 C ATOM 1500 O TYR A 97 9.584 1.560 -0.391 1.00 0.00 O ATOM 1501 CB TYR A 97 7.722 3.094 0.994 1.00 0.00 C ATOM 1502 CG TYR A 97 8.591 2.672 2.157 1.00 0.00 C ATOM 1503 CD1 TYR A 97 8.970 3.586 3.131 1.00 0.00 C ATOM 1504 CD2 TYR A 97 9.031 1.361 2.279 1.00 0.00 C ATOM 1505 CE1 TYR A 97 9.763 3.205 4.197 1.00 0.00 C ATOM 1506 CE2 TYR A 97 9.823 0.972 3.342 1.00 0.00 C ATOM 1507 CZ TYR A 97 10.187 1.897 4.298 1.00 0.00 C ATOM 1508 OH TYR A 97 10.976 1.513 5.357 1.00 0.00 O ATOM 0 H TYR A 97 6.697 4.008 -1.190 1.00 0.00 H new ATOM 0 HA TYR A 97 9.260 4.376 0.218 1.00 0.00 H new ATOM 0 HB2 TYR A 97 6.991 3.823 1.344 1.00 0.00 H new ATOM 0 HB3 TYR A 97 7.163 2.229 0.637 1.00 0.00 H new ATOM 0 HD1 TYR A 97 8.640 4.611 3.054 1.00 0.00 H new ATOM 0 HD2 TYR A 97 8.750 0.634 1.531 1.00 0.00 H new ATOM 0 HE1 TYR A 97 10.049 3.928 4.947 1.00 0.00 H new ATOM 0 HE2 TYR A 97 10.156 -0.052 3.424 1.00 0.00 H new ATOM 0 HH TYR A 97 10.789 2.086 6.129 1.00 0.00 H new ATOM 1518 N GLU A 98 9.399 2.831 -2.238 1.00 0.00 N ATOM 1519 CA GLU A 98 10.067 1.874 -3.118 1.00 0.00 C ATOM 1520 C GLU A 98 9.229 0.614 -3.299 1.00 0.00 C ATOM 1521 O GLU A 98 8.704 0.058 -2.334 1.00 0.00 O ATOM 1522 CB GLU A 98 11.449 1.510 -2.572 1.00 0.00 C ATOM 1523 CG GLU A 98 12.264 0.638 -3.514 1.00 0.00 C ATOM 1524 CD GLU A 98 13.341 1.416 -4.244 1.00 0.00 C ATOM 1525 OE1 GLU A 98 13.873 2.384 -3.660 1.00 0.00 O ATOM 1526 OE2 GLU A 98 13.653 1.058 -5.399 1.00 0.00 O ATOM 0 H GLU A 98 9.095 3.685 -2.705 1.00 0.00 H new ATOM 0 HA GLU A 98 10.187 2.349 -4.092 1.00 0.00 H new ATOM 0 HB2 GLU A 98 12.003 2.426 -2.368 1.00 0.00 H new ATOM 0 HB3 GLU A 98 11.330 0.991 -1.621 1.00 0.00 H new ATOM 0 HG2 GLU A 98 12.726 -0.170 -2.947 1.00 0.00 H new ATOM 0 HG3 GLU A 98 11.598 0.176 -4.243 1.00 0.00 H new ATOM 1533 N PHE A 99 9.110 0.172 -4.546 1.00 0.00 N ATOM 1534 CA PHE A 99 8.339 -1.022 -4.870 1.00 0.00 C ATOM 1535 C PHE A 99 8.924 -2.253 -4.186 1.00 0.00 C ATOM 1536 O PHE A 99 10.128 -2.497 -4.252 1.00 0.00 O ATOM 1537 CB PHE A 99 8.323 -1.239 -6.385 1.00 0.00 C ATOM 1538 CG PHE A 99 7.108 -0.682 -7.072 1.00 0.00 C ATOM 1539 CD1 PHE A 99 6.652 0.593 -6.779 1.00 0.00 C ATOM 1540 CD2 PHE A 99 6.431 -1.430 -8.023 1.00 0.00 C ATOM 1541 CE1 PHE A 99 5.542 1.111 -7.420 1.00 0.00 C ATOM 1542 CE2 PHE A 99 5.320 -0.917 -8.666 1.00 0.00 C ATOM 1543 CZ PHE A 99 4.876 0.355 -8.365 1.00 0.00 C ATOM 0 H PHE A 99 9.540 0.625 -5.352 1.00 0.00 H new ATOM 0 HA PHE A 99 7.321 -0.875 -4.510 1.00 0.00 H new ATOM 0 HB2 PHE A 99 9.213 -0.781 -6.816 1.00 0.00 H new ATOM 0 HB3 PHE A 99 8.384 -2.308 -6.589 1.00 0.00 H new ATOM 0 HD1 PHE A 99 7.169 1.189 -6.042 1.00 0.00 H new ATOM 0 HD2 PHE A 99 6.776 -2.425 -8.264 1.00 0.00 H new ATOM 0 HE1 PHE A 99 5.196 2.106 -7.182 1.00 0.00 H new ATOM 0 HE2 PHE A 99 4.800 -1.511 -9.403 1.00 0.00 H new ATOM 0 HZ PHE A 99 4.009 0.758 -8.868 1.00 0.00 H new ATOM 1553 N LEU A 100 8.064 -3.031 -3.537 1.00 0.00 N ATOM 1554 CA LEU A 100 8.497 -4.239 -2.856 1.00 0.00 C ATOM 1555 C LEU A 100 8.795 -5.341 -3.868 1.00 0.00 C ATOM 1556 O LEU A 100 7.966 -6.219 -4.106 1.00 0.00 O ATOM 1557 CB LEU A 100 7.421 -4.701 -1.872 1.00 0.00 C ATOM 1558 CG LEU A 100 7.924 -5.585 -0.733 1.00 0.00 C ATOM 1559 CD1 LEU A 100 8.697 -6.767 -1.288 1.00 0.00 C ATOM 1560 CD2 LEU A 100 8.788 -4.780 0.224 1.00 0.00 C ATOM 0 H LEU A 100 7.064 -2.844 -3.470 1.00 0.00 H new ATOM 0 HA LEU A 100 9.410 -4.021 -2.302 1.00 0.00 H new ATOM 0 HB2 LEU A 100 6.940 -3.822 -1.444 1.00 0.00 H new ATOM 0 HB3 LEU A 100 6.655 -5.246 -2.424 1.00 0.00 H new ATOM 0 HG LEU A 100 7.065 -5.963 -0.180 1.00 0.00 H new ATOM 0 HD11 LEU A 100 9.050 -7.389 -0.466 1.00 0.00 H new ATOM 0 HD12 LEU A 100 8.047 -7.356 -1.935 1.00 0.00 H new ATOM 0 HD13 LEU A 100 9.550 -6.406 -1.862 1.00 0.00 H new ATOM 0 HD21 LEU A 100 9.138 -5.426 1.029 1.00 0.00 H new ATOM 0 HD22 LEU A 100 9.645 -4.374 -0.313 1.00 0.00 H new ATOM 0 HD23 LEU A 100 8.202 -3.962 0.643 1.00 0.00 H new ATOM 1572 N GLU A 101 9.983 -5.281 -4.465 1.00 0.00 N ATOM 1573 CA GLU A 101 10.396 -6.268 -5.460 1.00 0.00 C ATOM 1574 C GLU A 101 10.183 -7.692 -4.954 1.00 0.00 C ATOM 1575 O GLU A 101 9.782 -7.903 -3.809 1.00 0.00 O ATOM 1576 CB GLU A 101 11.867 -6.062 -5.829 1.00 0.00 C ATOM 1577 CG GLU A 101 12.189 -4.648 -6.283 1.00 0.00 C ATOM 1578 CD GLU A 101 11.286 -4.176 -7.406 1.00 0.00 C ATOM 1579 OE1 GLU A 101 10.890 -5.016 -8.242 1.00 0.00 O ATOM 1580 OE2 GLU A 101 10.974 -2.968 -7.450 1.00 0.00 O ATOM 0 H GLU A 101 10.678 -4.558 -4.277 1.00 0.00 H new ATOM 0 HA GLU A 101 9.777 -6.127 -6.346 1.00 0.00 H new ATOM 0 HB2 GLU A 101 12.487 -6.308 -4.967 1.00 0.00 H new ATOM 0 HB3 GLU A 101 12.135 -6.759 -6.623 1.00 0.00 H new ATOM 0 HG2 GLU A 101 12.095 -3.968 -5.436 1.00 0.00 H new ATOM 0 HG3 GLU A 101 13.227 -4.604 -6.613 1.00 0.00 H new ATOM 1654 N VAL A 106 5.274 -12.090 -0.250 1.00 0.00 N ATOM 1655 CA VAL A 106 4.875 -11.017 0.654 1.00 0.00 C ATOM 1656 C VAL A 106 5.715 -11.019 1.928 1.00 0.00 C ATOM 1657 O VAL A 106 5.894 -9.982 2.563 1.00 0.00 O ATOM 1658 CB VAL A 106 3.386 -11.130 1.028 1.00 0.00 C ATOM 1659 CG1 VAL A 106 3.108 -12.465 1.699 1.00 0.00 C ATOM 1660 CG2 VAL A 106 2.966 -9.974 1.923 1.00 0.00 C ATOM 0 HA VAL A 106 5.041 -10.079 0.124 1.00 0.00 H new ATOM 0 HB VAL A 106 2.795 -11.078 0.113 1.00 0.00 H new ATOM 0 HG11 VAL A 106 2.051 -12.529 1.957 1.00 0.00 H new ATOM 0 HG12 VAL A 106 3.365 -13.276 1.017 1.00 0.00 H new ATOM 0 HG13 VAL A 106 3.709 -12.549 2.605 1.00 0.00 H new ATOM 0 HG21 VAL A 106 1.910 -10.074 2.175 1.00 0.00 H new ATOM 0 HG22 VAL A 106 3.560 -9.987 2.837 1.00 0.00 H new ATOM 0 HG23 VAL A 106 3.126 -9.032 1.399 1.00 0.00 H new ATOM 1670 N GLU A 107 6.229 -12.188 2.302 1.00 0.00 N ATOM 1671 CA GLU A 107 7.048 -12.312 3.501 1.00 0.00 C ATOM 1672 C GLU A 107 8.095 -11.204 3.560 1.00 0.00 C ATOM 1673 O GLU A 107 8.438 -10.714 4.635 1.00 0.00 O ATOM 1674 CB GLU A 107 7.726 -13.676 3.533 1.00 0.00 C ATOM 1675 CG GLU A 107 8.216 -14.071 4.912 1.00 0.00 C ATOM 1676 CD GLU A 107 9.101 -15.302 4.888 1.00 0.00 C ATOM 1677 OE1 GLU A 107 10.142 -15.271 4.199 1.00 0.00 O ATOM 1678 OE2 GLU A 107 8.753 -16.297 5.559 1.00 0.00 O ATOM 0 H GLU A 107 6.092 -13.061 1.792 1.00 0.00 H new ATOM 0 HA GLU A 107 6.399 -12.216 4.371 1.00 0.00 H new ATOM 0 HB2 GLU A 107 7.026 -14.430 3.174 1.00 0.00 H new ATOM 0 HB3 GLU A 107 8.570 -13.671 2.843 1.00 0.00 H new ATOM 0 HG2 GLU A 107 8.769 -13.239 5.349 1.00 0.00 H new ATOM 0 HG3 GLU A 107 7.358 -14.258 5.558 1.00 0.00 H new ATOM 1685 N ARG A 108 8.587 -10.803 2.391 1.00 0.00 N ATOM 1686 CA ARG A 108 9.582 -9.741 2.304 1.00 0.00 C ATOM 1687 C ARG A 108 8.935 -8.396 2.614 1.00 0.00 C ATOM 1688 O ARG A 108 9.544 -7.529 3.241 1.00 0.00 O ATOM 1689 CB ARG A 108 10.218 -9.716 0.912 1.00 0.00 C ATOM 1690 CG ARG A 108 11.694 -10.073 0.912 1.00 0.00 C ATOM 1691 CD ARG A 108 12.117 -10.699 -0.407 1.00 0.00 C ATOM 1692 NE ARG A 108 13.472 -10.308 -0.790 1.00 0.00 N ATOM 1693 CZ ARG A 108 14.572 -10.810 -0.232 1.00 0.00 C ATOM 1694 NH1 ARG A 108 14.482 -11.720 0.728 1.00 0.00 N ATOM 1695 NH2 ARG A 108 15.766 -10.400 -0.640 1.00 0.00 N ATOM 0 H ARG A 108 8.312 -11.198 1.492 1.00 0.00 H new ATOM 0 HA ARG A 108 10.366 -9.934 3.037 1.00 0.00 H new ATOM 0 HB2 ARG A 108 9.684 -10.412 0.265 1.00 0.00 H new ATOM 0 HB3 ARG A 108 10.093 -8.722 0.482 1.00 0.00 H new ATOM 0 HG2 ARG A 108 12.286 -9.177 1.097 1.00 0.00 H new ATOM 0 HG3 ARG A 108 11.902 -10.766 1.728 1.00 0.00 H new ATOM 0 HD2 ARG A 108 12.062 -11.785 -0.327 1.00 0.00 H new ATOM 0 HD3 ARG A 108 11.419 -10.401 -1.190 1.00 0.00 H new ATOM 0 HE ARG A 108 13.581 -9.611 -1.527 1.00 0.00 H new ATOM 0 HH11 ARG A 108 13.566 -12.040 1.043 1.00 0.00 H new ATOM 0 HH12 ARG A 108 15.329 -12.100 1.151 1.00 0.00 H new ATOM 0 HH21 ARG A 108 15.840 -9.702 -1.380 1.00 0.00 H new ATOM 0 HH22 ARG A 108 16.610 -10.783 -0.214 1.00 0.00 H new ATOM 1709 N PHE A 109 7.690 -8.240 2.178 1.00 0.00 N ATOM 1710 CA PHE A 109 6.939 -7.012 2.412 1.00 0.00 C ATOM 1711 C PHE A 109 6.805 -6.754 3.911 1.00 0.00 C ATOM 1712 O PHE A 109 6.755 -5.607 4.355 1.00 0.00 O ATOM 1713 CB PHE A 109 5.553 -7.113 1.758 1.00 0.00 C ATOM 1714 CG PHE A 109 4.598 -6.021 2.161 1.00 0.00 C ATOM 1715 CD1 PHE A 109 5.059 -4.745 2.437 1.00 0.00 C ATOM 1716 CD2 PHE A 109 3.239 -6.276 2.262 1.00 0.00 C ATOM 1717 CE1 PHE A 109 4.184 -3.743 2.807 1.00 0.00 C ATOM 1718 CE2 PHE A 109 2.358 -5.277 2.632 1.00 0.00 C ATOM 1719 CZ PHE A 109 2.832 -4.009 2.905 1.00 0.00 C ATOM 0 H PHE A 109 7.177 -8.952 1.658 1.00 0.00 H new ATOM 0 HA PHE A 109 7.477 -6.176 1.965 1.00 0.00 H new ATOM 0 HB2 PHE A 109 5.673 -7.094 0.675 1.00 0.00 H new ATOM 0 HB3 PHE A 109 5.113 -8.077 2.013 1.00 0.00 H new ATOM 0 HD1 PHE A 109 6.115 -4.531 2.362 1.00 0.00 H new ATOM 0 HD2 PHE A 109 2.864 -7.266 2.049 1.00 0.00 H new ATOM 0 HE1 PHE A 109 4.556 -2.752 3.020 1.00 0.00 H new ATOM 0 HE2 PHE A 109 1.301 -5.488 2.707 1.00 0.00 H new ATOM 0 HZ PHE A 109 2.147 -3.226 3.195 1.00 0.00 H new ATOM 1729 N LEU A 110 6.755 -7.834 4.688 1.00 0.00 N ATOM 1730 CA LEU A 110 6.633 -7.736 6.139 1.00 0.00 C ATOM 1731 C LEU A 110 7.650 -6.758 6.715 1.00 0.00 C ATOM 1732 O LEU A 110 7.305 -5.878 7.503 1.00 0.00 O ATOM 1733 CB LEU A 110 6.820 -9.109 6.774 1.00 0.00 C ATOM 1734 CG LEU A 110 5.886 -9.411 7.946 1.00 0.00 C ATOM 1735 CD1 LEU A 110 5.721 -10.911 8.125 1.00 0.00 C ATOM 1736 CD2 LEU A 110 6.412 -8.774 9.222 1.00 0.00 C ATOM 0 H LEU A 110 6.797 -8.790 4.334 1.00 0.00 H new ATOM 0 HA LEU A 110 5.634 -7.363 6.367 1.00 0.00 H new ATOM 0 HB2 LEU A 110 6.674 -9.870 6.007 1.00 0.00 H new ATOM 0 HB3 LEU A 110 7.851 -9.196 7.118 1.00 0.00 H new ATOM 0 HG LEU A 110 4.908 -8.984 7.726 1.00 0.00 H new ATOM 0 HD11 LEU A 110 5.053 -11.106 8.964 1.00 0.00 H new ATOM 0 HD12 LEU A 110 5.299 -11.342 7.217 1.00 0.00 H new ATOM 0 HD13 LEU A 110 6.693 -11.363 8.323 1.00 0.00 H new ATOM 0 HD21 LEU A 110 5.735 -8.999 10.047 1.00 0.00 H new ATOM 0 HD22 LEU A 110 7.402 -9.172 9.446 1.00 0.00 H new ATOM 0 HD23 LEU A 110 6.477 -7.694 9.090 1.00 0.00 H new ATOM 1748 N LEU A 111 8.905 -6.919 6.314 1.00 0.00 N ATOM 1749 CA LEU A 111 9.977 -6.049 6.788 1.00 0.00 C ATOM 1750 C LEU A 111 9.664 -4.588 6.479 1.00 0.00 C ATOM 1751 O LEU A 111 9.613 -3.751 7.380 1.00 0.00 O ATOM 1752 CB LEU A 111 11.307 -6.451 6.148 1.00 0.00 C ATOM 1753 CG LEU A 111 11.809 -7.847 6.524 1.00 0.00 C ATOM 1754 CD1 LEU A 111 11.231 -8.895 5.585 1.00 0.00 C ATOM 1755 CD2 LEU A 111 13.328 -7.891 6.502 1.00 0.00 C ATOM 0 H LEU A 111 9.207 -7.643 5.662 1.00 0.00 H new ATOM 0 HA LEU A 111 10.057 -6.162 7.869 1.00 0.00 H new ATOM 0 HB2 LEU A 111 11.202 -6.399 5.064 1.00 0.00 H new ATOM 0 HB3 LEU A 111 12.065 -5.720 6.431 1.00 0.00 H new ATOM 0 HG LEU A 111 11.473 -8.071 7.536 1.00 0.00 H new ATOM 0 HD11 LEU A 111 11.600 -9.881 5.869 1.00 0.00 H new ATOM 0 HD12 LEU A 111 10.143 -8.882 5.651 1.00 0.00 H new ATOM 0 HD13 LEU A 111 11.535 -8.674 4.562 1.00 0.00 H new ATOM 0 HD21 LEU A 111 13.667 -8.891 6.772 1.00 0.00 H new ATOM 0 HD22 LEU A 111 13.685 -7.644 5.502 1.00 0.00 H new ATOM 0 HD23 LEU A 111 13.723 -7.169 7.216 1.00 0.00 H new ATOM 1767 N THR A 112 9.456 -4.291 5.199 1.00 0.00 N ATOM 1768 CA THR A 112 9.146 -2.932 4.758 1.00 0.00 C ATOM 1769 C THR A 112 8.103 -2.278 5.665 1.00 0.00 C ATOM 1770 O THR A 112 8.199 -1.094 5.980 1.00 0.00 O ATOM 1771 CB THR A 112 8.649 -2.953 3.313 1.00 0.00 C ATOM 1772 OG1 THR A 112 9.634 -3.499 2.456 1.00 0.00 O ATOM 1773 CG2 THR A 112 8.286 -1.585 2.778 1.00 0.00 C ATOM 0 H THR A 112 9.497 -4.976 4.445 1.00 0.00 H new ATOM 0 HA THR A 112 10.059 -2.340 4.816 1.00 0.00 H new ATOM 0 HB THR A 112 7.748 -3.566 3.329 1.00 0.00 H new ATOM 0 HG1 THR A 112 9.838 -2.859 1.742 1.00 0.00 H new ATOM 0 HG21 THR A 112 7.942 -1.677 1.748 1.00 0.00 H new ATOM 0 HG22 THR A 112 7.493 -1.154 3.389 1.00 0.00 H new ATOM 0 HG23 THR A 112 9.162 -0.937 2.811 1.00 0.00 H new ATOM 1781 N ILE A 113 7.116 -3.060 6.086 1.00 0.00 N ATOM 1782 CA ILE A 113 6.066 -2.556 6.965 1.00 0.00 C ATOM 1783 C ILE A 113 6.674 -2.027 8.263 1.00 0.00 C ATOM 1784 O ILE A 113 6.700 -0.820 8.501 1.00 0.00 O ATOM 1785 CB ILE A 113 5.021 -3.651 7.284 1.00 0.00 C ATOM 1786 CG1 ILE A 113 4.185 -3.957 6.041 1.00 0.00 C ATOM 1787 CG2 ILE A 113 4.120 -3.228 8.438 1.00 0.00 C ATOM 1788 CD1 ILE A 113 3.335 -2.791 5.584 1.00 0.00 C ATOM 0 H ILE A 113 7.020 -4.044 5.834 1.00 0.00 H new ATOM 0 HA ILE A 113 5.558 -1.744 6.444 1.00 0.00 H new ATOM 0 HB ILE A 113 5.553 -4.554 7.585 1.00 0.00 H new ATOM 0 HG12 ILE A 113 4.850 -4.252 5.229 1.00 0.00 H new ATOM 0 HG13 ILE A 113 3.538 -4.809 6.249 1.00 0.00 H new ATOM 0 HG21 ILE A 113 3.395 -4.016 8.641 1.00 0.00 H new ATOM 0 HG22 ILE A 113 4.726 -3.054 9.327 1.00 0.00 H new ATOM 0 HG23 ILE A 113 3.594 -2.311 8.172 1.00 0.00 H new ATOM 0 HD11 ILE A 113 2.769 -3.079 4.698 1.00 0.00 H new ATOM 0 HD12 ILE A 113 2.645 -2.509 6.380 1.00 0.00 H new ATOM 0 HD13 ILE A 113 3.978 -1.944 5.344 1.00 0.00 H new ATOM 1800 N LYS A 114 7.176 -2.940 9.087 1.00 0.00 N ATOM 1801 CA LYS A 114 7.804 -2.568 10.352 1.00 0.00 C ATOM 1802 C LYS A 114 8.929 -1.561 10.117 1.00 0.00 C ATOM 1803 O LYS A 114 9.293 -0.799 11.012 1.00 0.00 O ATOM 1804 CB LYS A 114 8.351 -3.819 11.047 1.00 0.00 C ATOM 1805 CG LYS A 114 9.136 -3.533 12.324 1.00 0.00 C ATOM 1806 CD LYS A 114 10.614 -3.263 12.053 1.00 0.00 C ATOM 1807 CE LYS A 114 11.231 -4.306 11.133 1.00 0.00 C ATOM 1808 NZ LYS A 114 12.569 -4.750 11.612 1.00 0.00 N ATOM 0 H LYS A 114 7.161 -3.943 8.903 1.00 0.00 H new ATOM 0 HA LYS A 114 7.055 -2.102 10.992 1.00 0.00 H new ATOM 0 HB2 LYS A 114 7.519 -4.481 11.286 1.00 0.00 H new ATOM 0 HB3 LYS A 114 8.995 -4.355 10.350 1.00 0.00 H new ATOM 0 HG2 LYS A 114 8.699 -2.672 12.830 1.00 0.00 H new ATOM 0 HG3 LYS A 114 9.043 -4.382 13.002 1.00 0.00 H new ATOM 0 HD2 LYS A 114 10.725 -2.275 11.605 1.00 0.00 H new ATOM 0 HD3 LYS A 114 11.158 -3.247 12.998 1.00 0.00 H new ATOM 0 HE2 LYS A 114 10.566 -5.167 11.064 1.00 0.00 H new ATOM 0 HE3 LYS A 114 11.324 -3.894 10.128 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 13.020 -5.341 10.885 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 13.164 -3.918 11.799 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 12.459 -5.301 12.487 1.00 0.00 H new ATOM 1822 N HIS A 115 9.462 -1.557 8.897 1.00 0.00 N ATOM 1823 CA HIS A 115 10.531 -0.638 8.528 1.00 0.00 C ATOM 1824 C HIS A 115 9.958 0.708 8.093 1.00 0.00 C ATOM 1825 O HIS A 115 10.653 1.725 8.104 1.00 0.00 O ATOM 1826 CB HIS A 115 11.379 -1.230 7.404 1.00 0.00 C ATOM 1827 CG HIS A 115 12.282 -2.335 7.857 1.00 0.00 C ATOM 1828 ND1 HIS A 115 12.867 -2.366 9.104 1.00 0.00 N ATOM 1829 CD2 HIS A 115 12.699 -3.455 7.219 1.00 0.00 C ATOM 1830 CE1 HIS A 115 13.607 -3.457 9.215 1.00 0.00 C ATOM 1831 NE2 HIS A 115 13.520 -4.135 8.085 1.00 0.00 N ATOM 0 H HIS A 115 9.168 -2.183 8.147 1.00 0.00 H new ATOM 0 HA HIS A 115 11.162 -0.483 9.403 1.00 0.00 H new ATOM 0 HB2 HIS A 115 10.720 -1.607 6.622 1.00 0.00 H new ATOM 0 HB3 HIS A 115 11.981 -0.438 6.958 1.00 0.00 H new ATOM 0 HD2 HIS A 115 12.435 -3.757 6.216 1.00 0.00 H new ATOM 0 HE1 HIS A 115 14.184 -3.744 10.082 1.00 0.00 H new ATOM 0 HE2 HIS A 115 13.987 -5.020 7.887 1.00 0.00 H new ATOM 1840 N ALA A 116 8.683 0.706 7.711 1.00 0.00 N ATOM 1841 CA ALA A 116 8.009 1.921 7.271 1.00 0.00 C ATOM 1842 C ALA A 116 7.413 2.676 8.454 1.00 0.00 C ATOM 1843 O ALA A 116 7.546 3.896 8.558 1.00 0.00 O ATOM 1844 CB ALA A 116 6.925 1.582 6.261 1.00 0.00 C ATOM 0 H ALA A 116 8.096 -0.128 7.698 1.00 0.00 H new ATOM 0 HA ALA A 116 8.747 2.567 6.796 1.00 0.00 H new ATOM 0 HB1 ALA A 116 6.428 2.497 5.939 1.00 0.00 H new ATOM 0 HB2 ALA A 116 7.373 1.090 5.398 1.00 0.00 H new ATOM 0 HB3 ALA A 116 6.195 0.915 6.720 1.00 0.00 H new ATOM 1850 N PHE A 117 6.751 1.942 9.344 1.00 0.00 N ATOM 1851 CA PHE A 117 6.131 2.539 10.522 1.00 0.00 C ATOM 1852 C PHE A 117 7.169 3.227 11.404 1.00 0.00 C ATOM 1853 O PHE A 117 6.836 4.113 12.192 1.00 0.00 O ATOM 1854 CB PHE A 117 5.389 1.470 11.326 1.00 0.00 C ATOM 1855 CG PHE A 117 3.996 1.201 10.829 1.00 0.00 C ATOM 1856 CD1 PHE A 117 2.991 2.140 11.003 1.00 0.00 C ATOM 1857 CD2 PHE A 117 3.692 0.010 10.189 1.00 0.00 C ATOM 1858 CE1 PHE A 117 1.710 1.896 10.548 1.00 0.00 C ATOM 1859 CE2 PHE A 117 2.413 -0.239 9.731 1.00 0.00 C ATOM 1860 CZ PHE A 117 1.419 0.705 9.911 1.00 0.00 C ATOM 0 H PHE A 117 6.630 0.932 9.271 1.00 0.00 H new ATOM 0 HA PHE A 117 5.420 3.292 10.183 1.00 0.00 H new ATOM 0 HB2 PHE A 117 5.961 0.543 11.297 1.00 0.00 H new ATOM 0 HB3 PHE A 117 5.340 1.781 12.369 1.00 0.00 H new ATOM 0 HD1 PHE A 117 3.212 3.073 11.500 1.00 0.00 H new ATOM 0 HD2 PHE A 117 4.464 -0.732 10.047 1.00 0.00 H new ATOM 0 HE1 PHE A 117 0.936 2.636 10.690 1.00 0.00 H new ATOM 0 HE2 PHE A 117 2.189 -1.171 9.233 1.00 0.00 H new ATOM 0 HZ PHE A 117 0.418 0.512 9.555 1.00 0.00 H new ATOM 1870 N GLU A 118 8.427 2.815 11.271 1.00 0.00 N ATOM 1871 CA GLU A 118 9.513 3.394 12.059 1.00 0.00 C ATOM 1872 C GLU A 118 9.534 4.916 11.939 1.00 0.00 C ATOM 1873 O GLU A 118 10.024 5.610 12.831 1.00 0.00 O ATOM 1874 CB GLU A 118 10.856 2.819 11.611 1.00 0.00 C ATOM 1875 CG GLU A 118 10.925 1.303 11.688 1.00 0.00 C ATOM 1876 CD GLU A 118 12.286 0.803 12.133 1.00 0.00 C ATOM 1877 OE1 GLU A 118 13.168 0.634 11.266 1.00 0.00 O ATOM 1878 OE2 GLU A 118 12.468 0.582 13.349 1.00 0.00 O ATOM 0 H GLU A 118 8.720 2.082 10.625 1.00 0.00 H new ATOM 0 HA GLU A 118 9.341 3.137 13.104 1.00 0.00 H new ATOM 0 HB2 GLU A 118 11.052 3.132 10.585 1.00 0.00 H new ATOM 0 HB3 GLU A 118 11.647 3.242 12.230 1.00 0.00 H new ATOM 0 HG2 GLU A 118 10.165 0.943 12.382 1.00 0.00 H new ATOM 0 HG3 GLU A 118 10.689 0.882 10.711 1.00 0.00 H new