USER MOD reduce.3.24.130724 H: found=0, std=0, add=548, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 554 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 48 SER OG : rot -175:sc= 0.119 USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 50 ASN : amide:sc= -2.86 K(o=-2.9,f=-3.5!) USER MOD Single : A 52 SER OG : rot 49:sc= 0.437 USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 HIS : no HD1:sc= -0.0742 X(o=-0.074,f=-0.24) USER MOD Single : A 60 ASN : amide:sc= -0.214 K(o=-0.21,f=-1.9!) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 ASN : amide:sc= -3.98 X(o=-4,f=-4.4!) USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 73 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 74 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 78 SER OG : rot 180:sc= 0 USER MOD Single : B 82 SER OG : rot 180:sc= 0 USER MOD Single : B 83 THR OG1 : rot -42:sc= 0.969 USER MOD Single : B 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 16 -11.705 -10.669 9.116 1.00 0.00 N ATOM 2 CA GLY A 16 -10.739 -9.601 8.743 1.00 0.00 C ATOM 3 C GLY A 16 -10.343 -9.665 7.282 1.00 0.00 C ATOM 4 O GLY A 16 -9.350 -10.302 6.929 1.00 0.00 O ATOM 0 HA2 GLY A 16 -11.179 -8.627 8.955 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -9.847 -9.689 9.363 1.00 0.00 H new ATOM 10 N ARG A 17 -11.121 -9.005 6.431 1.00 0.00 N ATOM 11 CA ARG A 17 -10.846 -8.993 4.999 1.00 0.00 C ATOM 12 C ARG A 17 -10.241 -7.664 4.569 1.00 0.00 C ATOM 13 O ARG A 17 -10.554 -7.140 3.500 1.00 0.00 O ATOM 14 CB ARG A 17 -12.121 -9.270 4.202 1.00 0.00 C ATOM 15 CG ARG A 17 -13.389 -9.066 5.010 1.00 0.00 C ATOM 16 CD ARG A 17 -14.628 -9.102 4.130 1.00 0.00 C ATOM 17 NE ARG A 17 -15.049 -7.765 3.719 1.00 0.00 N ATOM 18 CZ ARG A 17 -16.300 -7.456 3.388 1.00 0.00 C ATOM 19 NH1 ARG A 17 -17.247 -8.384 3.421 1.00 0.00 N ATOM 20 NH2 ARG A 17 -16.604 -6.219 3.022 1.00 0.00 N ATOM 0 H ARG A 17 -11.946 -8.472 6.707 1.00 0.00 H new ATOM 0 HA ARG A 17 -10.124 -9.783 4.793 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -12.145 -8.617 3.330 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -12.095 -10.295 3.832 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -13.462 -9.840 5.774 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -13.339 -8.109 5.530 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -14.426 -9.706 3.245 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -15.441 -9.588 4.669 1.00 0.00 H new ATOM 0 HE ARG A 17 -14.345 -7.028 3.684 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -17.017 -9.338 3.701 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -18.205 -8.144 3.167 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -15.878 -5.503 2.994 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -17.563 -5.983 2.768 1.00 0.00 H new ATOM 34 N VAL A 18 -9.368 -7.131 5.411 1.00 0.00 N ATOM 35 CA VAL A 18 -8.703 -5.864 5.126 1.00 0.00 C ATOM 36 C VAL A 18 -7.867 -5.968 3.853 1.00 0.00 C ATOM 37 O VAL A 18 -6.796 -6.574 3.851 1.00 0.00 O ATOM 38 CB VAL A 18 -7.796 -5.423 6.292 1.00 0.00 C ATOM 39 CG1 VAL A 18 -8.602 -4.674 7.342 1.00 0.00 C ATOM 40 CG2 VAL A 18 -7.090 -6.623 6.909 1.00 0.00 C ATOM 0 H VAL A 18 -9.102 -7.556 6.299 1.00 0.00 H new ATOM 0 HA VAL A 18 -9.485 -5.116 4.991 1.00 0.00 H new ATOM 0 HB VAL A 18 -7.036 -4.748 5.898 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -7.945 -4.371 8.157 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -9.054 -3.790 6.892 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -9.386 -5.324 7.731 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -6.455 -6.289 7.730 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -7.832 -7.327 7.287 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -6.477 -7.113 6.153 1.00 0.00 H new ATOM 50 N ARG A 19 -8.371 -5.386 2.767 1.00 0.00 N ATOM 51 CA ARG A 19 -7.674 -5.429 1.487 1.00 0.00 C ATOM 52 C ARG A 19 -7.700 -4.072 0.789 1.00 0.00 C ATOM 53 O ARG A 19 -7.938 -3.992 -0.416 1.00 0.00 O ATOM 54 CB ARG A 19 -8.311 -6.488 0.583 1.00 0.00 C ATOM 55 CG ARG A 19 -9.831 -6.467 0.607 1.00 0.00 C ATOM 56 CD ARG A 19 -10.422 -6.930 -0.714 1.00 0.00 C ATOM 57 NE ARG A 19 -11.884 -6.902 -0.698 1.00 0.00 N ATOM 58 CZ ARG A 19 -12.643 -7.236 -1.738 1.00 0.00 C ATOM 59 NH1 ARG A 19 -12.080 -7.618 -2.877 1.00 0.00 N ATOM 60 NH2 ARG A 19 -13.965 -7.188 -1.641 1.00 0.00 N ATOM 0 H ARG A 19 -9.257 -4.881 2.749 1.00 0.00 H new ATOM 0 HA ARG A 19 -6.633 -5.688 1.681 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -7.969 -6.335 -0.441 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -7.964 -7.474 0.891 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -10.191 -7.109 1.411 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -10.177 -5.457 0.826 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -10.056 -6.293 -1.519 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -10.081 -7.943 -0.929 1.00 0.00 H new ATOM 0 HE ARG A 19 -12.349 -6.609 0.161 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -11.064 -7.656 -2.956 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -12.663 -7.874 -3.674 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -14.402 -6.894 -0.767 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -14.545 -7.445 -2.440 1.00 0.00 H new ATOM 74 N TRP A 20 -7.468 -3.006 1.550 1.00 0.00 N ATOM 75 CA TRP A 20 -7.472 -1.660 1.008 1.00 0.00 C ATOM 76 C TRP A 20 -6.352 -0.839 1.625 1.00 0.00 C ATOM 77 O TRP A 20 -5.862 -1.163 2.703 1.00 0.00 O ATOM 78 CB TRP A 20 -8.828 -1.011 1.257 1.00 0.00 C ATOM 79 CG TRP A 20 -9.911 -1.691 0.497 1.00 0.00 C ATOM 80 CD1 TRP A 20 -10.599 -2.799 0.887 1.00 0.00 C ATOM 81 CD2 TRP A 20 -10.410 -1.330 -0.793 1.00 0.00 C ATOM 82 NE1 TRP A 20 -11.497 -3.159 -0.091 1.00 0.00 N ATOM 83 CE2 TRP A 20 -11.400 -2.268 -1.131 1.00 0.00 C ATOM 84 CE3 TRP A 20 -10.116 -0.302 -1.694 1.00 0.00 C ATOM 85 CZ2 TRP A 20 -12.093 -2.210 -2.337 1.00 0.00 C ATOM 86 CZ3 TRP A 20 -10.807 -0.246 -2.888 1.00 0.00 C ATOM 87 CH2 TRP A 20 -11.784 -1.195 -3.201 1.00 0.00 C ATOM 0 H TRP A 20 -7.274 -3.054 2.550 1.00 0.00 H new ATOM 0 HA TRP A 20 -7.301 -1.704 -0.068 1.00 0.00 H new ATOM 0 HB2 TRP A 20 -9.056 -1.042 2.322 1.00 0.00 H new ATOM 0 HB3 TRP A 20 -8.787 0.040 0.970 1.00 0.00 H new ATOM 0 HD1 TRP A 20 -10.461 -3.318 1.824 1.00 0.00 H new ATOM 0 HE1 TRP A 20 -12.131 -3.957 -0.050 1.00 0.00 H new ATOM 0 HE3 TRP A 20 -9.362 0.435 -1.460 1.00 0.00 H new ATOM 0 HZ2 TRP A 20 -12.849 -2.941 -2.582 1.00 0.00 H new ATOM 0 HZ3 TRP A 20 -10.589 0.544 -3.591 1.00 0.00 H new ATOM 0 HH2 TRP A 20 -12.306 -1.126 -4.144 1.00 0.00 H new ATOM 98 N ALA A 21 -5.928 0.208 0.936 1.00 0.00 N ATOM 99 CA ALA A 21 -4.863 1.045 1.439 1.00 0.00 C ATOM 100 C ALA A 21 -5.256 2.508 1.378 1.00 0.00 C ATOM 101 O ALA A 21 -5.225 3.124 0.313 1.00 0.00 O ATOM 102 CB ALA A 21 -3.594 0.810 0.639 1.00 0.00 C ATOM 0 H ALA A 21 -6.305 0.493 0.032 1.00 0.00 H new ATOM 0 HA ALA A 21 -4.680 0.782 2.481 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -2.797 1.445 1.026 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -3.298 -0.236 0.725 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -3.774 1.051 -0.409 1.00 0.00 H new ATOM 108 N ARG A 22 -5.592 3.077 2.528 1.00 0.00 N ATOM 109 CA ARG A 22 -5.946 4.481 2.581 1.00 0.00 C ATOM 110 C ARG A 22 -4.798 5.249 3.206 1.00 0.00 C ATOM 111 O ARG A 22 -4.510 5.112 4.398 1.00 0.00 O ATOM 112 CB ARG A 22 -7.246 4.713 3.357 1.00 0.00 C ATOM 113 CG ARG A 22 -7.432 6.149 3.824 1.00 0.00 C ATOM 114 CD ARG A 22 -8.718 6.323 4.617 1.00 0.00 C ATOM 115 NE ARG A 22 -9.072 7.731 4.774 1.00 0.00 N ATOM 116 CZ ARG A 22 -10.266 8.155 5.181 1.00 0.00 C ATOM 117 NH1 ARG A 22 -11.219 7.281 5.481 1.00 0.00 N ATOM 118 NH2 ARG A 22 -10.507 9.455 5.291 1.00 0.00 N ATOM 0 H ARG A 22 -5.626 2.591 3.424 1.00 0.00 H new ATOM 0 HA ARG A 22 -6.122 4.839 1.566 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -8.090 4.433 2.726 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -7.264 4.053 4.224 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -6.582 6.444 4.440 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -7.445 6.813 2.960 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -9.530 5.798 4.113 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -8.604 5.865 5.600 1.00 0.00 H new ATOM 0 HE ARG A 22 -8.362 8.431 4.559 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -11.037 6.281 5.400 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -12.133 7.610 5.793 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -9.777 10.130 5.064 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -11.422 9.779 5.603 1.00 0.00 H new ATOM 132 N ALA A 23 -4.131 6.028 2.375 1.00 0.00 N ATOM 133 CA ALA A 23 -2.984 6.804 2.807 1.00 0.00 C ATOM 134 C ALA A 23 -3.384 8.006 3.646 1.00 0.00 C ATOM 135 O ALA A 23 -4.200 8.827 3.228 1.00 0.00 O ATOM 136 CB ALA A 23 -2.177 7.254 1.598 1.00 0.00 C ATOM 0 H ALA A 23 -4.367 6.140 1.389 1.00 0.00 H new ATOM 0 HA ALA A 23 -2.372 6.159 3.438 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -1.317 7.836 1.930 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -1.832 6.380 1.045 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -2.803 7.868 0.951 1.00 0.00 H new ATOM 142 N LEU A 24 -2.771 8.115 4.819 1.00 0.00 N ATOM 143 CA LEU A 24 -3.012 9.235 5.720 1.00 0.00 C ATOM 144 C LEU A 24 -1.870 10.226 5.554 1.00 0.00 C ATOM 145 O LEU A 24 -1.969 11.398 5.915 1.00 0.00 O ATOM 146 CB LEU A 24 -3.099 8.757 7.173 1.00 0.00 C ATOM 147 CG LEU A 24 -3.534 7.301 7.353 1.00 0.00 C ATOM 148 CD1 LEU A 24 -2.761 6.650 8.491 1.00 0.00 C ATOM 149 CD2 LEU A 24 -5.033 7.222 7.609 1.00 0.00 C ATOM 0 H LEU A 24 -2.097 7.434 5.170 1.00 0.00 H new ATOM 0 HA LEU A 24 -3.962 9.709 5.476 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -2.124 8.889 7.641 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -3.799 9.398 7.709 1.00 0.00 H new ATOM 0 HG LEU A 24 -3.313 6.758 6.434 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -3.083 5.615 8.605 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -1.694 6.675 8.268 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -2.951 7.193 9.417 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -5.326 6.180 7.735 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -5.278 7.779 8.513 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -5.570 7.650 6.762 1.00 0.00 H new ATOM 161 N TYR A 25 -0.789 9.714 4.975 1.00 0.00 N ATOM 162 CA TYR A 25 0.413 10.484 4.698 1.00 0.00 C ATOM 163 C TYR A 25 0.903 10.145 3.295 1.00 0.00 C ATOM 164 O TYR A 25 0.306 9.310 2.615 1.00 0.00 O ATOM 165 CB TYR A 25 1.513 10.171 5.718 1.00 0.00 C ATOM 166 CG TYR A 25 1.007 9.924 7.123 1.00 0.00 C ATOM 167 CD1 TYR A 25 0.465 10.956 7.879 1.00 0.00 C ATOM 168 CD2 TYR A 25 1.081 8.660 7.696 1.00 0.00 C ATOM 169 CE1 TYR A 25 0.009 10.736 9.165 1.00 0.00 C ATOM 170 CE2 TYR A 25 0.627 8.432 8.982 1.00 0.00 C ATOM 171 CZ TYR A 25 0.092 9.473 9.712 1.00 0.00 C ATOM 172 OH TYR A 25 -0.361 9.249 10.992 1.00 0.00 O ATOM 0 H TYR A 25 -0.725 8.739 4.682 1.00 0.00 H new ATOM 0 HA TYR A 25 0.177 11.546 4.769 1.00 0.00 H new ATOM 0 HB2 TYR A 25 2.064 9.292 5.383 1.00 0.00 H new ATOM 0 HB3 TYR A 25 2.219 11.001 5.739 1.00 0.00 H new ATOM 0 HD1 TYR A 25 0.399 11.947 7.455 1.00 0.00 H new ATOM 0 HD2 TYR A 25 1.500 7.843 7.128 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -0.410 11.549 9.739 1.00 0.00 H new ATOM 0 HE2 TYR A 25 0.691 7.444 9.413 1.00 0.00 H new ATOM 0 HH TYR A 25 -0.231 8.306 11.225 1.00 0.00 H new ATOM 182 N ASP A 26 1.981 10.791 2.861 1.00 0.00 N ATOM 183 CA ASP A 26 2.541 10.541 1.533 1.00 0.00 C ATOM 184 C ASP A 26 2.812 9.050 1.313 1.00 0.00 C ATOM 185 O ASP A 26 2.450 8.210 2.134 1.00 0.00 O ATOM 186 CB ASP A 26 3.835 11.335 1.350 1.00 0.00 C ATOM 187 CG ASP A 26 3.940 11.963 -0.026 1.00 0.00 C ATOM 188 OD1 ASP A 26 3.225 12.955 -0.281 1.00 0.00 O ATOM 189 OD2 ASP A 26 4.738 11.463 -0.847 1.00 0.00 O ATOM 0 H ASP A 26 2.485 11.490 3.407 1.00 0.00 H new ATOM 0 HA ASP A 26 1.808 10.866 0.795 1.00 0.00 H new ATOM 0 HB2 ASP A 26 3.888 12.117 2.108 1.00 0.00 H new ATOM 0 HB3 ASP A 26 4.688 10.676 1.511 1.00 0.00 H new ATOM 194 N PHE A 27 3.444 8.726 0.190 1.00 0.00 N ATOM 195 CA PHE A 27 3.747 7.336 -0.145 1.00 0.00 C ATOM 196 C PHE A 27 5.211 6.988 0.127 1.00 0.00 C ATOM 197 O PHE A 27 6.100 7.831 -0.008 1.00 0.00 O ATOM 198 CB PHE A 27 3.423 7.074 -1.613 1.00 0.00 C ATOM 199 CG PHE A 27 4.411 7.686 -2.562 1.00 0.00 C ATOM 200 CD1 PHE A 27 4.268 8.999 -2.981 1.00 0.00 C ATOM 201 CD2 PHE A 27 5.482 6.948 -3.034 1.00 0.00 C ATOM 202 CE1 PHE A 27 5.176 9.564 -3.855 1.00 0.00 C ATOM 203 CE2 PHE A 27 6.394 7.506 -3.909 1.00 0.00 C ATOM 204 CZ PHE A 27 6.240 8.817 -4.319 1.00 0.00 C ATOM 0 H PHE A 27 3.757 9.405 -0.504 1.00 0.00 H new ATOM 0 HA PHE A 27 3.130 6.703 0.492 1.00 0.00 H new ATOM 0 HB2 PHE A 27 3.387 5.998 -1.783 1.00 0.00 H new ATOM 0 HB3 PHE A 27 2.430 7.465 -1.833 1.00 0.00 H new ATOM 0 HD1 PHE A 27 3.437 9.587 -2.620 1.00 0.00 H new ATOM 0 HD2 PHE A 27 5.606 5.924 -2.715 1.00 0.00 H new ATOM 0 HE1 PHE A 27 5.054 10.588 -4.175 1.00 0.00 H new ATOM 0 HE2 PHE A 27 7.225 6.919 -4.272 1.00 0.00 H new ATOM 0 HZ PHE A 27 6.952 9.257 -5.002 1.00 0.00 H new ATOM 214 N GLU A 28 5.448 5.735 0.519 1.00 0.00 N ATOM 215 CA GLU A 28 6.798 5.260 0.820 1.00 0.00 C ATOM 216 C GLU A 28 7.389 4.463 -0.339 1.00 0.00 C ATOM 217 O GLU A 28 8.406 3.789 -0.175 1.00 0.00 O ATOM 218 CB GLU A 28 6.786 4.376 2.064 1.00 0.00 C ATOM 219 CG GLU A 28 6.071 4.997 3.250 1.00 0.00 C ATOM 220 CD GLU A 28 6.986 5.200 4.441 1.00 0.00 C ATOM 221 OE1 GLU A 28 7.729 6.203 4.455 1.00 0.00 O ATOM 222 OE2 GLU A 28 6.959 4.354 5.360 1.00 0.00 O ATOM 0 H GLU A 28 4.720 5.030 0.635 1.00 0.00 H new ATOM 0 HA GLU A 28 7.415 6.142 0.991 1.00 0.00 H new ATOM 0 HB2 GLU A 28 6.308 3.427 1.820 1.00 0.00 H new ATOM 0 HB3 GLU A 28 7.814 4.151 2.348 1.00 0.00 H new ATOM 0 HG2 GLU A 28 5.649 5.957 2.953 1.00 0.00 H new ATOM 0 HG3 GLU A 28 5.237 4.359 3.542 1.00 0.00 H new ATOM 229 N ALA A 29 6.753 4.527 -1.502 1.00 0.00 N ATOM 230 CA ALA A 29 7.242 3.789 -2.660 1.00 0.00 C ATOM 231 C ALA A 29 8.544 4.387 -3.178 1.00 0.00 C ATOM 232 O ALA A 29 8.547 5.420 -3.844 1.00 0.00 O ATOM 233 CB ALA A 29 6.194 3.767 -3.764 1.00 0.00 C ATOM 0 H ALA A 29 5.909 5.075 -1.668 1.00 0.00 H new ATOM 0 HA ALA A 29 7.438 2.764 -2.346 1.00 0.00 H new ATOM 0 HB1 ALA A 29 6.578 3.211 -4.619 1.00 0.00 H new ATOM 0 HB2 ALA A 29 5.288 3.286 -3.396 1.00 0.00 H new ATOM 0 HB3 ALA A 29 5.964 4.788 -4.068 1.00 0.00 H new ATOM 239 N LEU A 30 9.651 3.721 -2.867 1.00 0.00 N ATOM 240 CA LEU A 30 10.966 4.176 -3.299 1.00 0.00 C ATOM 241 C LEU A 30 11.486 3.300 -4.431 1.00 0.00 C ATOM 242 O LEU A 30 12.488 3.621 -5.071 1.00 0.00 O ATOM 243 CB LEU A 30 11.952 4.154 -2.127 1.00 0.00 C ATOM 244 CG LEU A 30 11.372 4.590 -0.780 1.00 0.00 C ATOM 245 CD1 LEU A 30 12.323 4.232 0.350 1.00 0.00 C ATOM 246 CD2 LEU A 30 11.083 6.084 -0.781 1.00 0.00 C ATOM 0 H LEU A 30 9.663 2.863 -2.316 1.00 0.00 H new ATOM 0 HA LEU A 30 10.872 5.200 -3.660 1.00 0.00 H new ATOM 0 HB2 LEU A 30 12.347 3.143 -2.024 1.00 0.00 H new ATOM 0 HB3 LEU A 30 12.794 4.803 -2.369 1.00 0.00 H new ATOM 0 HG LEU A 30 10.433 4.059 -0.622 1.00 0.00 H new ATOM 0 HD11 LEU A 30 11.894 4.549 1.301 1.00 0.00 H new ATOM 0 HD12 LEU A 30 12.481 3.154 0.365 1.00 0.00 H new ATOM 0 HD13 LEU A 30 13.277 4.736 0.196 1.00 0.00 H new ATOM 0 HD21 LEU A 30 10.671 6.376 0.185 1.00 0.00 H new ATOM 0 HD22 LEU A 30 12.007 6.633 -0.962 1.00 0.00 H new ATOM 0 HD23 LEU A 30 10.364 6.315 -1.567 1.00 0.00 H new ATOM 258 N GLU A 31 10.796 2.191 -4.673 1.00 0.00 N ATOM 259 CA GLU A 31 11.185 1.262 -5.731 1.00 0.00 C ATOM 260 C GLU A 31 10.304 1.438 -6.964 1.00 0.00 C ATOM 261 O GLU A 31 9.336 2.201 -6.944 1.00 0.00 O ATOM 262 CB GLU A 31 11.102 -0.183 -5.233 1.00 0.00 C ATOM 263 CG GLU A 31 12.459 -0.817 -4.973 1.00 0.00 C ATOM 264 CD GLU A 31 12.826 -1.859 -6.012 1.00 0.00 C ATOM 265 OE1 GLU A 31 11.911 -2.541 -6.520 1.00 0.00 O ATOM 266 OE2 GLU A 31 14.029 -1.993 -6.318 1.00 0.00 O ATOM 0 H GLU A 31 9.965 1.912 -4.152 1.00 0.00 H new ATOM 0 HA GLU A 31 12.216 1.483 -6.008 1.00 0.00 H new ATOM 0 HB2 GLU A 31 10.517 -0.208 -4.314 1.00 0.00 H new ATOM 0 HB3 GLU A 31 10.566 -0.782 -5.969 1.00 0.00 H new ATOM 0 HG2 GLU A 31 13.222 -0.039 -4.959 1.00 0.00 H new ATOM 0 HG3 GLU A 31 12.457 -1.279 -3.986 1.00 0.00 H new ATOM 273 N GLU A 32 10.646 0.729 -8.036 1.00 0.00 N ATOM 274 CA GLU A 32 9.890 0.807 -9.282 1.00 0.00 C ATOM 275 C GLU A 32 8.769 -0.230 -9.308 1.00 0.00 C ATOM 276 O GLU A 32 7.730 -0.017 -9.934 1.00 0.00 O ATOM 277 CB GLU A 32 10.819 0.603 -10.480 1.00 0.00 C ATOM 278 CG GLU A 32 11.595 -0.703 -10.433 1.00 0.00 C ATOM 279 CD GLU A 32 13.033 -0.545 -10.887 1.00 0.00 C ATOM 280 OE1 GLU A 32 13.253 -0.313 -12.094 1.00 0.00 O ATOM 281 OE2 GLU A 32 13.939 -0.651 -10.033 1.00 0.00 O ATOM 0 H GLU A 32 11.443 0.093 -8.067 1.00 0.00 H new ATOM 0 HA GLU A 32 9.442 1.799 -9.343 1.00 0.00 H new ATOM 0 HB2 GLU A 32 10.229 0.632 -11.396 1.00 0.00 H new ATOM 0 HB3 GLU A 32 11.524 1.433 -10.528 1.00 0.00 H new ATOM 0 HG2 GLU A 32 11.580 -1.093 -9.415 1.00 0.00 H new ATOM 0 HG3 GLU A 32 11.098 -1.439 -11.064 1.00 0.00 H new ATOM 288 N ASP A 33 8.990 -1.351 -8.629 1.00 0.00 N ATOM 289 CA ASP A 33 8.000 -2.422 -8.576 1.00 0.00 C ATOM 290 C ASP A 33 6.908 -2.108 -7.560 1.00 0.00 C ATOM 291 O ASP A 33 6.031 -2.932 -7.302 1.00 0.00 O ATOM 292 CB ASP A 33 8.673 -3.746 -8.211 1.00 0.00 C ATOM 293 CG ASP A 33 8.452 -4.821 -9.259 1.00 0.00 C ATOM 294 OD1 ASP A 33 7.871 -4.508 -10.318 1.00 0.00 O ATOM 295 OD2 ASP A 33 8.863 -5.976 -9.019 1.00 0.00 O ATOM 0 H ASP A 33 9.846 -1.542 -8.108 1.00 0.00 H new ATOM 0 HA ASP A 33 7.544 -2.506 -9.562 1.00 0.00 H new ATOM 0 HB2 ASP A 33 9.743 -3.582 -8.084 1.00 0.00 H new ATOM 0 HB3 ASP A 33 8.287 -4.093 -7.253 1.00 0.00 H new ATOM 300 N GLU A 34 6.970 -0.914 -6.981 1.00 0.00 N ATOM 301 CA GLU A 34 5.990 -0.499 -5.987 1.00 0.00 C ATOM 302 C GLU A 34 5.005 0.509 -6.570 1.00 0.00 C ATOM 303 O GLU A 34 4.984 0.747 -7.778 1.00 0.00 O ATOM 304 CB GLU A 34 6.697 0.100 -4.770 1.00 0.00 C ATOM 305 CG GLU A 34 7.756 -0.815 -4.174 1.00 0.00 C ATOM 306 CD GLU A 34 8.603 -0.127 -3.120 1.00 0.00 C ATOM 307 OE1 GLU A 34 8.543 1.117 -3.028 1.00 0.00 O ATOM 308 OE2 GLU A 34 9.326 -0.833 -2.387 1.00 0.00 O ATOM 0 H GLU A 34 7.688 -0.218 -7.183 1.00 0.00 H new ATOM 0 HA GLU A 34 5.428 -1.380 -5.678 1.00 0.00 H new ATOM 0 HB2 GLU A 34 7.162 1.043 -5.057 1.00 0.00 H new ATOM 0 HB3 GLU A 34 5.955 0.331 -4.005 1.00 0.00 H new ATOM 0 HG2 GLU A 34 7.271 -1.685 -3.732 1.00 0.00 H new ATOM 0 HG3 GLU A 34 8.403 -1.181 -4.971 1.00 0.00 H new ATOM 315 N LEU A 35 4.194 1.094 -5.698 1.00 0.00 N ATOM 316 CA LEU A 35 3.199 2.077 -6.105 1.00 0.00 C ATOM 317 C LEU A 35 3.147 3.220 -5.098 1.00 0.00 C ATOM 318 O LEU A 35 3.241 2.999 -3.892 1.00 0.00 O ATOM 319 CB LEU A 35 1.826 1.415 -6.230 1.00 0.00 C ATOM 320 CG LEU A 35 0.631 2.368 -6.150 1.00 0.00 C ATOM 321 CD1 LEU A 35 0.385 3.032 -7.494 1.00 0.00 C ATOM 322 CD2 LEU A 35 -0.609 1.620 -5.683 1.00 0.00 C ATOM 0 H LEU A 35 4.207 0.902 -4.696 1.00 0.00 H new ATOM 0 HA LEU A 35 3.481 2.482 -7.077 1.00 0.00 H new ATOM 0 HB2 LEU A 35 1.783 0.883 -7.180 1.00 0.00 H new ATOM 0 HB3 LEU A 35 1.728 0.668 -5.442 1.00 0.00 H new ATOM 0 HG LEU A 35 0.857 3.149 -5.424 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -0.468 3.706 -7.416 1.00 0.00 H new ATOM 0 HD12 LEU A 35 1.269 3.599 -7.787 1.00 0.00 H new ATOM 0 HD13 LEU A 35 0.178 2.269 -8.244 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -1.452 2.309 -5.630 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -0.838 0.820 -6.387 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -0.427 1.194 -4.696 1.00 0.00 H new ATOM 334 N GLY A 36 3.012 4.443 -5.599 1.00 0.00 N ATOM 335 CA GLY A 36 2.970 5.594 -4.721 1.00 0.00 C ATOM 336 C GLY A 36 1.646 6.331 -4.744 1.00 0.00 C ATOM 337 O GLY A 36 1.131 6.670 -5.809 1.00 0.00 O ATOM 0 H GLY A 36 2.931 4.656 -6.593 1.00 0.00 H new ATOM 0 HA2 GLY A 36 3.177 5.270 -3.701 1.00 0.00 H new ATOM 0 HA3 GLY A 36 3.765 6.284 -5.004 1.00 0.00 H new ATOM 341 N PHE A 37 1.109 6.593 -3.557 1.00 0.00 N ATOM 342 CA PHE A 37 -0.151 7.312 -3.419 1.00 0.00 C ATOM 343 C PHE A 37 0.076 8.662 -2.754 1.00 0.00 C ATOM 344 O PHE A 37 1.214 9.058 -2.502 1.00 0.00 O ATOM 345 CB PHE A 37 -1.149 6.512 -2.582 1.00 0.00 C ATOM 346 CG PHE A 37 -0.513 5.542 -1.629 1.00 0.00 C ATOM 347 CD1 PHE A 37 0.268 5.992 -0.577 1.00 0.00 C ATOM 348 CD2 PHE A 37 -0.707 4.179 -1.780 1.00 0.00 C ATOM 349 CE1 PHE A 37 0.849 5.101 0.304 1.00 0.00 C ATOM 350 CE2 PHE A 37 -0.131 3.284 -0.902 1.00 0.00 C ATOM 351 CZ PHE A 37 0.647 3.744 0.142 1.00 0.00 C ATOM 0 H PHE A 37 1.531 6.315 -2.671 1.00 0.00 H new ATOM 0 HA PHE A 37 -0.557 7.458 -4.420 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -1.770 7.206 -2.016 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -1.812 5.964 -3.252 1.00 0.00 H new ATOM 0 HD1 PHE A 37 0.424 7.052 -0.444 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -1.316 3.813 -2.594 1.00 0.00 H new ATOM 0 HE1 PHE A 37 1.460 5.464 1.117 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -0.289 2.223 -1.031 1.00 0.00 H new ATOM 0 HZ PHE A 37 1.097 3.044 0.831 1.00 0.00 H new ATOM 361 N ARG A 38 -1.015 9.357 -2.460 1.00 0.00 N ATOM 362 CA ARG A 38 -0.933 10.658 -1.807 1.00 0.00 C ATOM 363 C ARG A 38 -1.854 10.714 -0.592 1.00 0.00 C ATOM 364 O ARG A 38 -2.758 9.891 -0.450 1.00 0.00 O ATOM 365 CB ARG A 38 -1.279 11.773 -2.790 1.00 0.00 C ATOM 366 CG ARG A 38 -0.613 11.605 -4.145 1.00 0.00 C ATOM 367 CD ARG A 38 -0.206 12.943 -4.739 1.00 0.00 C ATOM 368 NE ARG A 38 0.523 12.787 -5.995 1.00 0.00 N ATOM 369 CZ ARG A 38 1.698 13.357 -6.239 1.00 0.00 C ATOM 370 NH1 ARG A 38 2.270 14.124 -5.321 1.00 0.00 N ATOM 371 NH2 ARG A 38 2.303 13.162 -7.403 1.00 0.00 N ATOM 0 H ARG A 38 -1.964 9.044 -2.662 1.00 0.00 H new ATOM 0 HA ARG A 38 0.092 10.803 -1.465 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -2.360 11.806 -2.925 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -0.982 12.731 -2.363 1.00 0.00 H new ATOM 0 HG2 ARG A 38 0.267 10.969 -4.042 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -1.296 11.097 -4.826 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -1.096 13.549 -4.910 1.00 0.00 H new ATOM 0 HD3 ARG A 38 0.415 13.483 -4.024 1.00 0.00 H new ATOM 0 HE ARG A 38 0.107 12.209 -6.725 1.00 0.00 H new ATOM 0 HH11 ARG A 38 1.808 14.278 -4.425 1.00 0.00 H new ATOM 0 HH12 ARG A 38 3.172 14.560 -5.511 1.00 0.00 H new ATOM 0 HH21 ARG A 38 1.866 12.574 -8.113 1.00 0.00 H new ATOM 0 HH22 ARG A 38 3.205 13.600 -7.589 1.00 0.00 H new ATOM 385 N SER A 39 -1.608 11.685 0.286 1.00 0.00 N ATOM 386 CA SER A 39 -2.404 11.853 1.499 1.00 0.00 C ATOM 387 C SER A 39 -3.901 11.774 1.206 1.00 0.00 C ATOM 388 O SER A 39 -4.378 12.297 0.199 1.00 0.00 O ATOM 389 CB SER A 39 -2.077 13.190 2.166 1.00 0.00 C ATOM 390 OG SER A 39 -2.898 14.227 1.656 1.00 0.00 O ATOM 0 H SER A 39 -0.860 12.370 0.178 1.00 0.00 H new ATOM 0 HA SER A 39 -2.149 11.037 2.175 1.00 0.00 H new ATOM 0 HB2 SER A 39 -2.218 13.107 3.244 1.00 0.00 H new ATOM 0 HB3 SER A 39 -1.028 13.437 2.000 1.00 0.00 H new ATOM 0 HG SER A 39 -2.671 15.071 2.099 1.00 0.00 H new ATOM 396 N GLY A 40 -4.631 11.118 2.105 1.00 0.00 N ATOM 397 CA GLY A 40 -6.070 10.973 1.953 1.00 0.00 C ATOM 398 C GLY A 40 -6.473 10.357 0.626 1.00 0.00 C ATOM 399 O GLY A 40 -7.141 11.002 -0.183 1.00 0.00 O ATOM 0 H GLY A 40 -4.248 10.681 2.943 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -6.454 10.355 2.764 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -6.539 11.952 2.049 1.00 0.00 H new ATOM 403 N GLU A 41 -6.076 9.107 0.403 1.00 0.00 N ATOM 404 CA GLU A 41 -6.415 8.414 -0.836 1.00 0.00 C ATOM 405 C GLU A 41 -6.890 6.992 -0.562 1.00 0.00 C ATOM 406 O GLU A 41 -6.699 6.463 0.532 1.00 0.00 O ATOM 407 CB GLU A 41 -5.213 8.393 -1.783 1.00 0.00 C ATOM 408 CG GLU A 41 -5.042 9.679 -2.575 1.00 0.00 C ATOM 409 CD GLU A 41 -4.549 9.435 -3.988 1.00 0.00 C ATOM 410 OE1 GLU A 41 -3.463 8.838 -4.142 1.00 0.00 O ATOM 411 OE2 GLU A 41 -5.248 9.841 -4.939 1.00 0.00 O ATOM 0 H GLU A 41 -5.523 8.556 1.060 1.00 0.00 H new ATOM 0 HA GLU A 41 -7.231 8.960 -1.310 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -4.308 8.209 -1.204 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -5.322 7.560 -2.477 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -5.995 10.207 -2.613 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -4.338 10.329 -2.056 1.00 0.00 H new ATOM 418 N VAL A 42 -7.514 6.379 -1.565 1.00 0.00 N ATOM 419 CA VAL A 42 -8.022 5.017 -1.436 1.00 0.00 C ATOM 420 C VAL A 42 -7.365 4.086 -2.448 1.00 0.00 C ATOM 421 O VAL A 42 -7.274 4.404 -3.633 1.00 0.00 O ATOM 422 CB VAL A 42 -9.551 4.965 -1.626 1.00 0.00 C ATOM 423 CG1 VAL A 42 -10.093 3.600 -1.229 1.00 0.00 C ATOM 424 CG2 VAL A 42 -10.229 6.068 -0.828 1.00 0.00 C ATOM 0 H VAL A 42 -7.680 6.805 -2.477 1.00 0.00 H new ATOM 0 HA VAL A 42 -7.777 4.684 -0.427 1.00 0.00 H new ATOM 0 HB VAL A 42 -9.771 5.126 -2.681 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -11.174 3.583 -1.370 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -9.634 2.831 -1.850 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -9.861 3.407 -0.182 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -11.308 6.014 -0.976 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -10.001 5.944 0.231 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -9.865 7.038 -1.166 1.00 0.00 H new ATOM 434 N VAL A 43 -6.908 2.933 -1.970 1.00 0.00 N ATOM 435 CA VAL A 43 -6.258 1.949 -2.827 1.00 0.00 C ATOM 436 C VAL A 43 -6.858 0.560 -2.626 1.00 0.00 C ATOM 437 O VAL A 43 -7.184 0.172 -1.508 1.00 0.00 O ATOM 438 CB VAL A 43 -4.743 1.879 -2.548 1.00 0.00 C ATOM 439 CG1 VAL A 43 -4.042 1.037 -3.600 1.00 0.00 C ATOM 440 CG2 VAL A 43 -4.143 3.276 -2.488 1.00 0.00 C ATOM 0 H VAL A 43 -6.976 2.657 -0.990 1.00 0.00 H new ATOM 0 HA VAL A 43 -6.422 2.269 -3.856 1.00 0.00 H new ATOM 0 HB VAL A 43 -4.596 1.403 -1.578 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -2.974 1.001 -3.385 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -4.449 0.026 -3.588 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -4.199 1.479 -4.584 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -3.073 3.204 -2.290 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -4.303 3.782 -3.440 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -4.622 3.844 -1.691 1.00 0.00 H new ATOM 450 N GLU A 44 -6.988 -0.191 -3.714 1.00 0.00 N ATOM 451 CA GLU A 44 -7.532 -1.542 -3.647 1.00 0.00 C ATOM 452 C GLU A 44 -6.394 -2.557 -3.571 1.00 0.00 C ATOM 453 O GLU A 44 -5.636 -2.721 -4.527 1.00 0.00 O ATOM 454 CB GLU A 44 -8.415 -1.823 -4.866 1.00 0.00 C ATOM 455 CG GLU A 44 -9.055 -3.202 -4.853 1.00 0.00 C ATOM 456 CD GLU A 44 -9.716 -3.548 -6.173 1.00 0.00 C ATOM 457 OE1 GLU A 44 -9.019 -4.074 -7.067 1.00 0.00 O ATOM 458 OE2 GLU A 44 -10.930 -3.291 -6.314 1.00 0.00 O ATOM 0 H GLU A 44 -6.725 0.112 -4.652 1.00 0.00 H new ATOM 0 HA GLU A 44 -8.145 -1.631 -2.750 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -9.200 -1.068 -4.916 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -7.815 -1.719 -5.770 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -8.295 -3.949 -4.624 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -9.797 -3.247 -4.056 1.00 0.00 H new ATOM 465 N VAL A 45 -6.271 -3.225 -2.427 1.00 0.00 N ATOM 466 CA VAL A 45 -5.213 -4.212 -2.230 1.00 0.00 C ATOM 467 C VAL A 45 -5.571 -5.536 -2.892 1.00 0.00 C ATOM 468 O VAL A 45 -6.633 -6.106 -2.639 1.00 0.00 O ATOM 469 CB VAL A 45 -4.933 -4.459 -0.734 1.00 0.00 C ATOM 470 CG1 VAL A 45 -3.842 -5.503 -0.552 1.00 0.00 C ATOM 471 CG2 VAL A 45 -4.552 -3.160 -0.043 1.00 0.00 C ATOM 0 H VAL A 45 -6.889 -3.102 -1.625 1.00 0.00 H new ATOM 0 HA VAL A 45 -4.315 -3.804 -2.693 1.00 0.00 H new ATOM 0 HB VAL A 45 -5.845 -4.840 -0.275 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -3.662 -5.660 0.512 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -4.156 -6.441 -1.009 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -2.924 -5.157 -1.028 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -4.358 -3.353 1.012 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -3.656 -2.750 -0.508 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -5.369 -2.445 -0.137 1.00 0.00 H new ATOM 481 N LEU A 46 -4.676 -6.014 -3.750 1.00 0.00 N ATOM 482 CA LEU A 46 -4.888 -7.265 -4.464 1.00 0.00 C ATOM 483 C LEU A 46 -4.107 -8.406 -3.821 1.00 0.00 C ATOM 484 O LEU A 46 -4.147 -9.542 -4.296 1.00 0.00 O ATOM 485 CB LEU A 46 -4.472 -7.105 -5.927 1.00 0.00 C ATOM 486 CG LEU A 46 -5.626 -6.927 -6.915 1.00 0.00 C ATOM 487 CD1 LEU A 46 -5.129 -6.296 -8.207 1.00 0.00 C ATOM 488 CD2 LEU A 46 -6.297 -8.263 -7.197 1.00 0.00 C ATOM 0 H LEU A 46 -3.794 -5.551 -3.967 1.00 0.00 H new ATOM 0 HA LEU A 46 -5.949 -7.511 -4.413 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -3.809 -6.243 -6.008 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -3.894 -7.981 -6.222 1.00 0.00 H new ATOM 0 HG LEU A 46 -6.363 -6.260 -6.468 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -5.963 -6.177 -8.898 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -4.694 -5.320 -7.991 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -4.373 -6.938 -8.658 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -7.116 -8.117 -7.902 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -5.569 -8.953 -7.624 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -6.688 -8.677 -6.268 1.00 0.00 H new ATOM 500 N ASP A 47 -3.394 -8.100 -2.738 1.00 0.00 N ATOM 501 CA ASP A 47 -2.603 -9.106 -2.035 1.00 0.00 C ATOM 502 C ASP A 47 -2.163 -8.609 -0.657 1.00 0.00 C ATOM 503 O ASP A 47 -0.991 -8.300 -0.444 1.00 0.00 O ATOM 504 CB ASP A 47 -1.378 -9.490 -2.866 1.00 0.00 C ATOM 505 CG ASP A 47 -0.816 -10.844 -2.480 1.00 0.00 C ATOM 506 OD1 ASP A 47 0.015 -10.898 -1.549 1.00 0.00 O ATOM 507 OD2 ASP A 47 -1.207 -11.850 -3.108 1.00 0.00 O ATOM 0 H ASP A 47 -3.348 -7.166 -2.330 1.00 0.00 H new ATOM 0 HA ASP A 47 -3.233 -9.984 -1.892 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -1.648 -9.500 -3.922 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -0.606 -8.731 -2.741 1.00 0.00 H new ATOM 512 N SER A 48 -3.109 -8.548 0.276 1.00 0.00 N ATOM 513 CA SER A 48 -2.820 -8.105 1.638 1.00 0.00 C ATOM 514 C SER A 48 -2.063 -9.169 2.399 1.00 0.00 C ATOM 515 O SER A 48 -1.659 -8.948 3.541 1.00 0.00 O ATOM 516 CB SER A 48 -4.111 -7.746 2.374 1.00 0.00 C ATOM 517 OG SER A 48 -5.228 -8.402 1.797 1.00 0.00 O ATOM 0 H SER A 48 -4.084 -8.800 0.114 1.00 0.00 H new ATOM 0 HA SER A 48 -2.195 -7.214 1.577 1.00 0.00 H new ATOM 0 HB2 SER A 48 -4.024 -8.025 3.424 1.00 0.00 H new ATOM 0 HB3 SER A 48 -4.263 -6.667 2.343 1.00 0.00 H new ATOM 0 HG SER A 48 -6.049 -8.100 2.239 1.00 0.00 H new ATOM 523 N SER A 49 -1.840 -10.316 1.771 1.00 0.00 N ATOM 524 CA SER A 49 -1.093 -11.354 2.440 1.00 0.00 C ATOM 525 C SER A 49 0.376 -10.970 2.434 1.00 0.00 C ATOM 526 O SER A 49 1.009 -10.898 1.380 1.00 0.00 O ATOM 527 CB SER A 49 -1.295 -12.701 1.746 1.00 0.00 C ATOM 528 OG SER A 49 -2.637 -12.857 1.318 1.00 0.00 O ATOM 0 H SER A 49 -2.157 -10.541 0.828 1.00 0.00 H new ATOM 0 HA SER A 49 -1.447 -11.455 3.466 1.00 0.00 H new ATOM 0 HB2 SER A 49 -0.625 -12.776 0.889 1.00 0.00 H new ATOM 0 HB3 SER A 49 -1.031 -13.509 2.429 1.00 0.00 H new ATOM 0 HG SER A 49 -2.740 -13.725 0.876 1.00 0.00 H new ATOM 534 N ASN A 50 0.886 -10.719 3.631 1.00 0.00 N ATOM 535 CA ASN A 50 2.270 -10.314 3.856 1.00 0.00 C ATOM 536 C ASN A 50 2.376 -9.696 5.248 1.00 0.00 C ATOM 537 O ASN A 50 1.360 -9.325 5.837 1.00 0.00 O ATOM 538 CB ASN A 50 2.709 -9.299 2.805 1.00 0.00 C ATOM 539 CG ASN A 50 3.609 -9.895 1.744 1.00 0.00 C ATOM 540 OD1 ASN A 50 4.539 -10.644 2.044 1.00 0.00 O ATOM 541 ND2 ASN A 50 3.330 -9.560 0.489 1.00 0.00 N ATOM 0 H ASN A 50 0.341 -10.792 4.490 1.00 0.00 H new ATOM 0 HA ASN A 50 2.920 -11.186 3.780 1.00 0.00 H new ATOM 0 HB2 ASN A 50 1.826 -8.874 2.327 1.00 0.00 H new ATOM 0 HB3 ASN A 50 3.231 -8.478 3.297 1.00 0.00 H new ATOM 0 HD21 ASN A 50 3.897 -9.927 -0.275 1.00 0.00 H new ATOM 0 HD22 ASN A 50 2.548 -8.936 0.290 1.00 0.00 H new ATOM 548 N PRO A 51 3.586 -9.591 5.816 1.00 0.00 N ATOM 549 CA PRO A 51 3.768 -9.042 7.150 1.00 0.00 C ATOM 550 C PRO A 51 4.053 -7.540 7.179 1.00 0.00 C ATOM 551 O PRO A 51 4.269 -6.974 8.251 1.00 0.00 O ATOM 552 CB PRO A 51 4.976 -9.823 7.651 1.00 0.00 C ATOM 553 CG PRO A 51 5.800 -10.083 6.426 1.00 0.00 C ATOM 554 CD PRO A 51 4.866 -10.030 5.236 1.00 0.00 C ATOM 0 HA PRO A 51 2.865 -9.139 7.752 1.00 0.00 H new ATOM 0 HB2 PRO A 51 5.537 -9.252 8.391 1.00 0.00 H new ATOM 0 HB3 PRO A 51 4.674 -10.755 8.129 1.00 0.00 H new ATOM 0 HG2 PRO A 51 6.589 -9.338 6.328 1.00 0.00 H new ATOM 0 HG3 PRO A 51 6.287 -11.056 6.490 1.00 0.00 H new ATOM 0 HD2 PRO A 51 5.222 -9.332 4.478 1.00 0.00 H new ATOM 0 HD3 PRO A 51 4.775 -11.004 4.755 1.00 0.00 H new ATOM 562 N SER A 52 4.054 -6.890 6.018 1.00 0.00 N ATOM 563 CA SER A 52 4.317 -5.452 5.972 1.00 0.00 C ATOM 564 C SER A 52 3.999 -4.848 4.609 1.00 0.00 C ATOM 565 O SER A 52 3.254 -3.874 4.516 1.00 0.00 O ATOM 566 CB SER A 52 5.776 -5.170 6.331 1.00 0.00 C ATOM 567 OG SER A 52 5.892 -4.685 7.657 1.00 0.00 O ATOM 0 H SER A 52 3.879 -7.325 5.112 1.00 0.00 H new ATOM 0 HA SER A 52 3.658 -4.983 6.703 1.00 0.00 H new ATOM 0 HB2 SER A 52 6.363 -6.082 6.222 1.00 0.00 H new ATOM 0 HB3 SER A 52 6.190 -4.439 5.636 1.00 0.00 H new ATOM 0 HG SER A 52 5.387 -5.266 8.263 1.00 0.00 H new ATOM 573 N TRP A 53 4.580 -5.407 3.556 1.00 0.00 N ATOM 574 CA TRP A 53 4.360 -4.890 2.210 1.00 0.00 C ATOM 575 C TRP A 53 3.342 -5.729 1.444 1.00 0.00 C ATOM 576 O TRP A 53 3.576 -6.905 1.169 1.00 0.00 O ATOM 577 CB TRP A 53 5.680 -4.850 1.440 1.00 0.00 C ATOM 578 CG TRP A 53 6.466 -3.596 1.667 1.00 0.00 C ATOM 579 CD1 TRP A 53 7.302 -3.328 2.714 1.00 0.00 C ATOM 580 CD2 TRP A 53 6.490 -2.438 0.826 1.00 0.00 C ATOM 581 NE1 TRP A 53 7.843 -2.074 2.574 1.00 0.00 N ATOM 582 CE2 TRP A 53 7.360 -1.508 1.423 1.00 0.00 C ATOM 583 CE3 TRP A 53 5.860 -2.098 -0.373 1.00 0.00 C ATOM 584 CZ2 TRP A 53 7.616 -0.259 0.858 1.00 0.00 C ATOM 585 CZ3 TRP A 53 6.115 -0.860 -0.932 1.00 0.00 C ATOM 586 CH2 TRP A 53 6.985 0.045 -0.316 1.00 0.00 C ATOM 0 H TRP A 53 5.203 -6.213 3.606 1.00 0.00 H new ATOM 0 HA TRP A 53 3.961 -3.880 2.305 1.00 0.00 H new ATOM 0 HB2 TRP A 53 6.287 -5.707 1.730 1.00 0.00 H new ATOM 0 HB3 TRP A 53 5.473 -4.952 0.375 1.00 0.00 H new ATOM 0 HD1 TRP A 53 7.507 -4.003 3.531 1.00 0.00 H new ATOM 0 HE1 TRP A 53 8.498 -1.635 3.221 1.00 0.00 H new ATOM 0 HE3 TRP A 53 5.185 -2.790 -0.855 1.00 0.00 H new ATOM 0 HZ2 TRP A 53 8.288 0.442 1.330 1.00 0.00 H new ATOM 0 HZ3 TRP A 53 5.634 -0.587 -1.860 1.00 0.00 H new ATOM 0 HH2 TRP A 53 7.162 1.005 -0.778 1.00 0.00 H new ATOM 597 N TRP A 54 2.216 -5.112 1.089 1.00 0.00 N ATOM 598 CA TRP A 54 1.174 -5.805 0.338 1.00 0.00 C ATOM 599 C TRP A 54 1.113 -5.295 -1.099 1.00 0.00 C ATOM 600 O TRP A 54 1.344 -4.113 -1.358 1.00 0.00 O ATOM 601 CB TRP A 54 -0.203 -5.627 0.988 1.00 0.00 C ATOM 602 CG TRP A 54 -0.260 -5.970 2.446 1.00 0.00 C ATOM 603 CD1 TRP A 54 0.580 -6.794 3.128 1.00 0.00 C ATOM 604 CD2 TRP A 54 -1.227 -5.508 3.398 1.00 0.00 C ATOM 605 NE1 TRP A 54 0.189 -6.890 4.440 1.00 0.00 N ATOM 606 CE2 TRP A 54 -0.915 -6.103 4.633 1.00 0.00 C ATOM 607 CE3 TRP A 54 -2.330 -4.651 3.323 1.00 0.00 C ATOM 608 CZ2 TRP A 54 -1.662 -5.868 5.785 1.00 0.00 C ATOM 609 CZ3 TRP A 54 -3.070 -4.417 4.467 1.00 0.00 C ATOM 610 CH2 TRP A 54 -2.734 -5.024 5.683 1.00 0.00 C ATOM 0 H TRP A 54 2.004 -4.139 1.309 1.00 0.00 H new ATOM 0 HA TRP A 54 1.431 -6.864 0.342 1.00 0.00 H new ATOM 0 HB2 TRP A 54 -0.518 -4.591 0.860 1.00 0.00 H new ATOM 0 HB3 TRP A 54 -0.924 -6.247 0.455 1.00 0.00 H new ATOM 0 HD1 TRP A 54 1.432 -7.300 2.699 1.00 0.00 H new ATOM 0 HE1 TRP A 54 0.646 -7.456 5.155 1.00 0.00 H new ATOM 0 HE3 TRP A 54 -2.599 -4.181 2.389 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 -1.404 -6.335 6.724 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 -3.922 -3.755 4.422 1.00 0.00 H new ATOM 0 HH2 TRP A 54 -3.333 -4.822 6.558 1.00 0.00 H new ATOM 621 N THR A 55 0.797 -6.191 -2.029 1.00 0.00 N ATOM 622 CA THR A 55 0.699 -5.829 -3.439 1.00 0.00 C ATOM 623 C THR A 55 -0.717 -5.382 -3.796 1.00 0.00 C ATOM 624 O THR A 55 -1.663 -6.167 -3.723 1.00 0.00 O ATOM 625 CB THR A 55 1.099 -7.004 -4.350 1.00 0.00 C ATOM 626 OG1 THR A 55 2.137 -7.774 -3.732 1.00 0.00 O ATOM 627 CG2 THR A 55 1.573 -6.502 -5.704 1.00 0.00 C ATOM 0 H THR A 55 0.604 -7.173 -1.832 1.00 0.00 H new ATOM 0 HA THR A 55 1.390 -5.002 -3.601 1.00 0.00 H new ATOM 0 HB THR A 55 0.221 -7.632 -4.499 1.00 0.00 H new ATOM 0 HG1 THR A 55 2.384 -8.520 -4.318 1.00 0.00 H new ATOM 0 HG21 THR A 55 1.850 -7.350 -6.330 1.00 0.00 H new ATOM 0 HG22 THR A 55 0.771 -5.942 -6.186 1.00 0.00 H new ATOM 0 HG23 THR A 55 2.438 -5.853 -5.569 1.00 0.00 H new ATOM 635 N GLY A 56 -0.852 -4.117 -4.189 1.00 0.00 N ATOM 636 CA GLY A 56 -2.152 -3.582 -4.558 1.00 0.00 C ATOM 637 C GLY A 56 -2.067 -2.650 -5.752 1.00 0.00 C ATOM 638 O GLY A 56 -1.053 -2.621 -6.446 1.00 0.00 O ATOM 0 H GLY A 56 -0.082 -3.452 -4.258 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -2.830 -4.404 -4.788 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -2.577 -3.046 -3.710 1.00 0.00 H new ATOM 642 N ARG A 57 -3.128 -1.884 -5.999 1.00 0.00 N ATOM 643 CA ARG A 57 -3.143 -0.951 -7.124 1.00 0.00 C ATOM 644 C ARG A 57 -4.003 0.275 -6.828 1.00 0.00 C ATOM 645 O ARG A 57 -5.142 0.154 -6.372 1.00 0.00 O ATOM 646 CB ARG A 57 -3.644 -1.646 -8.394 1.00 0.00 C ATOM 647 CG ARG A 57 -4.927 -2.435 -8.194 1.00 0.00 C ATOM 648 CD ARG A 57 -5.900 -2.212 -9.341 1.00 0.00 C ATOM 649 NE ARG A 57 -6.069 -3.411 -10.159 1.00 0.00 N ATOM 650 CZ ARG A 57 -6.729 -3.427 -11.314 1.00 0.00 C ATOM 651 NH1 ARG A 57 -7.273 -2.314 -11.788 1.00 0.00 N ATOM 652 NH2 ARG A 57 -6.845 -4.559 -11.996 1.00 0.00 N ATOM 0 H ARG A 57 -3.982 -1.890 -5.441 1.00 0.00 H new ATOM 0 HA ARG A 57 -2.118 -0.615 -7.281 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -3.806 -0.896 -9.168 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -2.868 -2.318 -8.760 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -4.694 -3.497 -8.114 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -5.395 -2.139 -7.255 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -6.867 -1.907 -8.941 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -5.541 -1.394 -9.966 1.00 0.00 H new ATOM 0 HE ARG A 57 -5.658 -4.283 -9.826 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -7.186 -1.442 -11.267 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -7.778 -2.330 -12.674 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -6.428 -5.417 -11.635 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -7.351 -4.571 -12.882 1.00 0.00 H new ATOM 666 N LEU A 58 -3.448 1.453 -7.101 1.00 0.00 N ATOM 667 CA LEU A 58 -4.151 2.713 -6.880 1.00 0.00 C ATOM 668 C LEU A 58 -4.723 3.236 -8.193 1.00 0.00 C ATOM 669 O LEU A 58 -3.975 3.549 -9.120 1.00 0.00 O ATOM 670 CB LEU A 58 -3.200 3.748 -6.269 1.00 0.00 C ATOM 671 CG LEU A 58 -3.748 5.175 -6.179 1.00 0.00 C ATOM 672 CD1 LEU A 58 -3.636 5.705 -4.760 1.00 0.00 C ATOM 673 CD2 LEU A 58 -3.010 6.087 -7.148 1.00 0.00 C ATOM 0 H LEU A 58 -2.507 1.561 -7.478 1.00 0.00 H new ATOM 0 HA LEU A 58 -4.973 2.538 -6.186 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -2.928 3.418 -5.266 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -2.283 3.766 -6.859 1.00 0.00 H new ATOM 0 HG LEU A 58 -4.803 5.156 -6.454 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -4.031 6.720 -4.719 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -4.207 5.066 -4.087 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -2.590 5.710 -4.455 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -3.410 7.098 -7.073 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -1.948 6.098 -6.901 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -3.142 5.719 -8.166 1.00 0.00 H new ATOM 685 N HIS A 59 -6.050 3.320 -8.268 1.00 0.00 N ATOM 686 CA HIS A 59 -6.730 3.794 -9.471 1.00 0.00 C ATOM 687 C HIS A 59 -6.532 2.812 -10.623 1.00 0.00 C ATOM 688 O HIS A 59 -7.374 1.947 -10.862 1.00 0.00 O ATOM 689 CB HIS A 59 -6.227 5.185 -9.869 1.00 0.00 C ATOM 690 CG HIS A 59 -7.242 6.269 -9.671 1.00 0.00 C ATOM 691 ND1 HIS A 59 -8.532 6.188 -10.151 1.00 0.00 N ATOM 692 CD2 HIS A 59 -7.151 7.463 -9.042 1.00 0.00 C ATOM 693 CE1 HIS A 59 -9.190 7.286 -9.826 1.00 0.00 C ATOM 694 NE2 HIS A 59 -8.375 8.075 -9.153 1.00 0.00 N ATOM 0 H HIS A 59 -6.678 3.065 -7.506 1.00 0.00 H new ATOM 0 HA HIS A 59 -7.795 3.863 -9.251 1.00 0.00 H new ATOM 0 HB2 HIS A 59 -5.337 5.421 -9.286 1.00 0.00 H new ATOM 0 HB3 HIS A 59 -5.926 5.167 -10.916 1.00 0.00 H new ATOM 0 HD2 HIS A 59 -6.278 7.861 -8.545 1.00 0.00 H new ATOM 0 HE1 HIS A 59 -10.220 7.501 -10.070 1.00 0.00 H new ATOM 0 HE2 HIS A 59 -8.615 8.992 -8.776 1.00 0.00 H new ATOM 703 N ASN A 60 -5.412 2.945 -11.330 1.00 0.00 N ATOM 704 CA ASN A 60 -5.109 2.058 -12.450 1.00 0.00 C ATOM 705 C ASN A 60 -3.627 1.696 -12.480 1.00 0.00 C ATOM 706 O ASN A 60 -3.144 1.094 -13.439 1.00 0.00 O ATOM 707 CB ASN A 60 -5.518 2.709 -13.773 1.00 0.00 C ATOM 708 CG ASN A 60 -6.307 1.768 -14.663 1.00 0.00 C ATOM 709 OD1 ASN A 60 -6.970 0.849 -14.182 1.00 0.00 O ATOM 710 ND2 ASN A 60 -6.241 1.993 -15.971 1.00 0.00 N ATOM 0 H ASN A 60 -4.703 3.655 -11.148 1.00 0.00 H new ATOM 0 HA ASN A 60 -5.682 1.140 -12.315 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -6.116 3.597 -13.568 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -4.625 3.041 -14.302 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -6.752 1.393 -16.618 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -5.679 2.766 -16.328 1.00 0.00 H new ATOM 717 N LYS A 61 -2.916 2.053 -11.416 1.00 0.00 N ATOM 718 CA LYS A 61 -1.494 1.756 -11.307 1.00 0.00 C ATOM 719 C LYS A 61 -1.279 0.604 -10.335 1.00 0.00 C ATOM 720 O LYS A 61 -1.806 0.620 -9.224 1.00 0.00 O ATOM 721 CB LYS A 61 -0.727 2.993 -10.836 1.00 0.00 C ATOM 722 CG LYS A 61 -0.877 4.191 -11.760 1.00 0.00 C ATOM 723 CD LYS A 61 0.046 5.329 -11.354 1.00 0.00 C ATOM 724 CE LYS A 61 1.504 4.991 -11.628 1.00 0.00 C ATOM 725 NZ LYS A 61 1.888 5.285 -13.036 1.00 0.00 N ATOM 0 H LYS A 61 -3.304 2.550 -10.614 1.00 0.00 H new ATOM 0 HA LYS A 61 -1.118 1.468 -12.289 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -1.074 3.268 -9.840 1.00 0.00 H new ATOM 0 HB3 LYS A 61 0.330 2.743 -10.748 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -0.657 3.891 -12.785 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -1.911 4.537 -11.744 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -0.228 6.232 -11.899 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -0.085 5.544 -10.294 1.00 0.00 H new ATOM 0 HE2 LYS A 61 2.142 5.560 -10.952 1.00 0.00 H new ATOM 0 HE3 LYS A 61 1.678 3.936 -11.417 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 2.888 5.041 -13.181 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 1.297 4.723 -13.682 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 1.747 6.297 -13.230 1.00 0.00 H new ATOM 739 N LEU A 62 -0.519 -0.399 -10.757 1.00 0.00 N ATOM 740 CA LEU A 62 -0.264 -1.561 -9.913 1.00 0.00 C ATOM 741 C LEU A 62 1.129 -1.512 -9.297 1.00 0.00 C ATOM 742 O LEU A 62 2.113 -1.221 -9.976 1.00 0.00 O ATOM 743 CB LEU A 62 -0.427 -2.848 -10.723 1.00 0.00 C ATOM 744 CG LEU A 62 -1.717 -2.936 -11.542 1.00 0.00 C ATOM 745 CD1 LEU A 62 -1.408 -3.296 -12.986 1.00 0.00 C ATOM 746 CD2 LEU A 62 -2.669 -3.953 -10.927 1.00 0.00 C ATOM 0 H LEU A 62 -0.071 -0.432 -11.673 1.00 0.00 H new ATOM 0 HA LEU A 62 -0.993 -1.546 -9.102 1.00 0.00 H new ATOM 0 HB2 LEU A 62 0.422 -2.944 -11.399 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -0.389 -3.697 -10.040 1.00 0.00 H new ATOM 0 HG LEU A 62 -2.202 -1.960 -11.529 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -2.337 -3.354 -13.553 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -0.764 -2.532 -13.422 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -0.901 -4.260 -13.020 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -3.581 -4.003 -11.521 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -2.193 -4.933 -10.910 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -2.915 -3.651 -9.909 1.00 0.00 H new ATOM 758 N GLY A 63 1.196 -1.805 -8.001 1.00 0.00 N ATOM 759 CA GLY A 63 2.463 -1.799 -7.298 1.00 0.00 C ATOM 760 C GLY A 63 2.309 -2.080 -5.814 1.00 0.00 C ATOM 761 O GLY A 63 1.195 -2.100 -5.291 1.00 0.00 O ATOM 0 H GLY A 63 0.390 -2.047 -7.425 1.00 0.00 H new ATOM 0 HA2 GLY A 63 3.122 -2.547 -7.739 1.00 0.00 H new ATOM 0 HA3 GLY A 63 2.944 -0.830 -7.433 1.00 0.00 H new ATOM 765 N LEU A 64 3.430 -2.302 -5.137 1.00 0.00 N ATOM 766 CA LEU A 64 3.417 -2.588 -3.704 1.00 0.00 C ATOM 767 C LEU A 64 3.292 -1.301 -2.890 1.00 0.00 C ATOM 768 O LEU A 64 3.544 -0.210 -3.397 1.00 0.00 O ATOM 769 CB LEU A 64 4.687 -3.345 -3.299 1.00 0.00 C ATOM 770 CG LEU A 64 5.500 -3.930 -4.457 1.00 0.00 C ATOM 771 CD1 LEU A 64 6.935 -4.189 -4.025 1.00 0.00 C ATOM 772 CD2 LEU A 64 4.858 -5.210 -4.970 1.00 0.00 C ATOM 0 H LEU A 64 4.360 -2.290 -5.556 1.00 0.00 H new ATOM 0 HA LEU A 64 2.549 -3.213 -3.493 1.00 0.00 H new ATOM 0 HB2 LEU A 64 5.328 -2.669 -2.733 1.00 0.00 H new ATOM 0 HB3 LEU A 64 4.407 -4.157 -2.627 1.00 0.00 H new ATOM 0 HG LEU A 64 5.511 -3.203 -5.269 1.00 0.00 H new ATOM 0 HD11 LEU A 64 7.497 -4.605 -4.861 1.00 0.00 H new ATOM 0 HD12 LEU A 64 7.394 -3.253 -3.709 1.00 0.00 H new ATOM 0 HD13 LEU A 64 6.943 -4.896 -3.195 1.00 0.00 H new ATOM 0 HD21 LEU A 64 5.451 -5.610 -5.793 1.00 0.00 H new ATOM 0 HD22 LEU A 64 4.814 -5.943 -4.165 1.00 0.00 H new ATOM 0 HD23 LEU A 64 3.849 -4.995 -5.321 1.00 0.00 H new ATOM 784 N PHE A 65 2.896 -1.433 -1.625 1.00 0.00 N ATOM 785 CA PHE A 65 2.737 -0.273 -0.750 1.00 0.00 C ATOM 786 C PHE A 65 3.013 -0.642 0.711 1.00 0.00 C ATOM 787 O PHE A 65 2.971 -1.817 1.079 1.00 0.00 O ATOM 788 CB PHE A 65 1.322 0.309 -0.884 1.00 0.00 C ATOM 789 CG PHE A 65 0.307 -0.349 0.007 1.00 0.00 C ATOM 790 CD1 PHE A 65 0.167 0.055 1.322 1.00 0.00 C ATOM 791 CD2 PHE A 65 -0.497 -1.374 -0.464 1.00 0.00 C ATOM 792 CE1 PHE A 65 -0.746 -0.547 2.155 1.00 0.00 C ATOM 793 CE2 PHE A 65 -1.419 -1.983 0.365 1.00 0.00 C ATOM 794 CZ PHE A 65 -1.544 -1.569 1.678 1.00 0.00 C ATOM 0 H PHE A 65 2.680 -2.327 -1.185 1.00 0.00 H new ATOM 0 HA PHE A 65 3.463 0.480 -1.057 1.00 0.00 H new ATOM 0 HB2 PHE A 65 1.355 1.374 -0.656 1.00 0.00 H new ATOM 0 HB3 PHE A 65 0.997 0.214 -1.920 1.00 0.00 H new ATOM 0 HD1 PHE A 65 0.785 0.856 1.701 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -0.402 -1.700 -1.489 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -0.839 -0.222 3.181 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -2.041 -2.781 -0.012 1.00 0.00 H new ATOM 0 HZ PHE A 65 -2.263 -2.043 2.329 1.00 0.00 H new ATOM 804 N PRO A 66 3.284 0.364 1.569 1.00 0.00 N ATOM 805 CA PRO A 66 3.551 0.141 2.995 1.00 0.00 C ATOM 806 C PRO A 66 2.268 -0.043 3.805 1.00 0.00 C ATOM 807 O PRO A 66 1.515 0.909 4.008 1.00 0.00 O ATOM 808 CB PRO A 66 4.241 1.437 3.407 1.00 0.00 C ATOM 809 CG PRO A 66 3.583 2.466 2.557 1.00 0.00 C ATOM 810 CD PRO A 66 3.351 1.805 1.226 1.00 0.00 C ATOM 0 HA PRO A 66 4.134 -0.763 3.171 1.00 0.00 H new ATOM 0 HB2 PRO A 66 4.104 1.645 4.468 1.00 0.00 H new ATOM 0 HB3 PRO A 66 5.315 1.395 3.227 1.00 0.00 H new ATOM 0 HG2 PRO A 66 2.643 2.797 2.999 1.00 0.00 H new ATOM 0 HG3 PRO A 66 4.214 3.349 2.451 1.00 0.00 H new ATOM 0 HD2 PRO A 66 2.428 2.151 0.760 1.00 0.00 H new ATOM 0 HD3 PRO A 66 4.160 2.015 0.526 1.00 0.00 H new ATOM 818 N ALA A 67 2.022 -1.262 4.275 1.00 0.00 N ATOM 819 CA ALA A 67 0.828 -1.535 5.069 1.00 0.00 C ATOM 820 C ALA A 67 0.951 -0.911 6.453 1.00 0.00 C ATOM 821 O ALA A 67 -0.004 -0.899 7.230 1.00 0.00 O ATOM 822 CB ALA A 67 0.581 -3.031 5.177 1.00 0.00 C ATOM 0 H ALA A 67 2.626 -2.069 4.122 1.00 0.00 H new ATOM 0 HA ALA A 67 -0.026 -1.085 4.563 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -0.314 -3.210 5.773 1.00 0.00 H new ATOM 0 HB2 ALA A 67 0.443 -3.450 4.180 1.00 0.00 H new ATOM 0 HB3 ALA A 67 1.437 -3.507 5.655 1.00 0.00 H new ATOM 828 N ASN A 68 2.136 -0.388 6.752 1.00 0.00 N ATOM 829 CA ASN A 68 2.394 0.247 8.036 1.00 0.00 C ATOM 830 C ASN A 68 2.144 1.751 7.949 1.00 0.00 C ATOM 831 O ASN A 68 1.813 2.395 8.944 1.00 0.00 O ATOM 832 CB ASN A 68 3.835 -0.038 8.485 1.00 0.00 C ATOM 833 CG ASN A 68 4.599 1.215 8.871 1.00 0.00 C ATOM 834 OD1 ASN A 68 4.869 1.452 10.049 1.00 0.00 O ATOM 835 ND2 ASN A 68 4.959 2.021 7.878 1.00 0.00 N ATOM 0 H ASN A 68 2.935 -0.393 6.118 1.00 0.00 H new ATOM 0 HA ASN A 68 1.710 -0.169 8.776 1.00 0.00 H new ATOM 0 HB2 ASN A 68 3.816 -0.720 9.335 1.00 0.00 H new ATOM 0 HB3 ASN A 68 4.366 -0.546 7.680 1.00 0.00 H new ATOM 0 HD21 ASN A 68 5.480 2.875 8.078 1.00 0.00 H new ATOM 0 HD22 ASN A 68 4.714 1.786 6.916 1.00 0.00 H new ATOM 842 N TYR A 69 2.304 2.303 6.748 1.00 0.00 N ATOM 843 CA TYR A 69 2.093 3.730 6.527 1.00 0.00 C ATOM 844 C TYR A 69 0.610 4.046 6.383 1.00 0.00 C ATOM 845 O TYR A 69 0.132 5.063 6.884 1.00 0.00 O ATOM 846 CB TYR A 69 2.849 4.200 5.284 1.00 0.00 C ATOM 847 CG TYR A 69 3.527 5.539 5.455 1.00 0.00 C ATOM 848 CD1 TYR A 69 4.392 5.769 6.515 1.00 0.00 C ATOM 849 CD2 TYR A 69 3.303 6.573 4.557 1.00 0.00 C ATOM 850 CE1 TYR A 69 5.016 6.992 6.678 1.00 0.00 C ATOM 851 CE2 TYR A 69 3.923 7.799 4.711 1.00 0.00 C ATOM 852 CZ TYR A 69 4.777 8.004 5.772 1.00 0.00 C ATOM 853 OH TYR A 69 5.396 9.223 5.928 1.00 0.00 O ATOM 0 H TYR A 69 2.579 1.783 5.914 1.00 0.00 H new ATOM 0 HA TYR A 69 2.478 4.263 7.397 1.00 0.00 H new ATOM 0 HB2 TYR A 69 3.599 3.454 5.022 1.00 0.00 H new ATOM 0 HB3 TYR A 69 2.153 4.259 4.447 1.00 0.00 H new ATOM 0 HD1 TYR A 69 4.581 4.978 7.226 1.00 0.00 H new ATOM 0 HD2 TYR A 69 2.633 6.417 3.724 1.00 0.00 H new ATOM 0 HE1 TYR A 69 5.686 7.154 7.509 1.00 0.00 H new ATOM 0 HE2 TYR A 69 3.738 8.593 4.002 1.00 0.00 H new ATOM 0 HH TYR A 69 5.121 9.824 5.205 1.00 0.00 H new ATOM 863 N VAL A 70 -0.116 3.171 5.691 1.00 0.00 N ATOM 864 CA VAL A 70 -1.547 3.374 5.484 1.00 0.00 C ATOM 865 C VAL A 70 -2.364 2.197 6.024 1.00 0.00 C ATOM 866 O VAL A 70 -1.853 1.085 6.159 1.00 0.00 O ATOM 867 CB VAL A 70 -1.865 3.582 3.987 1.00 0.00 C ATOM 868 CG1 VAL A 70 -0.749 4.363 3.310 1.00 0.00 C ATOM 869 CG2 VAL A 70 -2.085 2.250 3.287 1.00 0.00 C ATOM 0 H VAL A 70 0.259 2.322 5.268 1.00 0.00 H new ATOM 0 HA VAL A 70 -1.826 4.272 6.035 1.00 0.00 H new ATOM 0 HB VAL A 70 -2.787 4.159 3.913 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -0.989 4.501 2.256 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -0.644 5.337 3.789 1.00 0.00 H new ATOM 0 HG13 VAL A 70 0.187 3.812 3.400 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -2.307 2.425 2.234 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -1.185 1.641 3.372 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -2.921 1.728 3.753 1.00 0.00 H new ATOM 879 N ALA A 71 -3.634 2.457 6.341 1.00 0.00 N ATOM 880 CA ALA A 71 -4.523 1.423 6.877 1.00 0.00 C ATOM 881 C ALA A 71 -5.682 1.146 5.922 1.00 0.00 C ATOM 882 O ALA A 71 -6.132 2.044 5.211 1.00 0.00 O ATOM 883 CB ALA A 71 -5.049 1.840 8.243 1.00 0.00 C ATOM 0 H ALA A 71 -4.070 3.373 6.236 1.00 0.00 H new ATOM 0 HA ALA A 71 -3.949 0.503 6.985 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -5.709 1.064 8.631 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -4.212 1.981 8.927 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -5.603 2.774 8.150 1.00 0.00 H new ATOM 889 N PRO A 72 -6.172 -0.111 5.870 1.00 0.00 N ATOM 890 CA PRO A 72 -7.265 -0.493 4.969 1.00 0.00 C ATOM 891 C PRO A 72 -8.588 0.187 5.269 1.00 0.00 C ATOM 892 O PRO A 72 -9.012 0.301 6.419 1.00 0.00 O ATOM 893 CB PRO A 72 -7.405 -2.005 5.166 1.00 0.00 C ATOM 894 CG PRO A 72 -6.132 -2.430 5.798 1.00 0.00 C ATOM 895 CD PRO A 72 -5.692 -1.268 6.647 1.00 0.00 C ATOM 0 HA PRO A 72 -7.028 -0.190 3.949 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -8.259 -2.243 5.800 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -7.563 -2.514 4.215 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -6.275 -3.325 6.403 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -5.382 -2.671 5.045 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -6.135 -1.301 7.642 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -4.610 -1.248 6.780 1.00 0.00 H new ATOM 903 N MET A 73 -9.236 0.613 4.197 1.00 0.00 N ATOM 904 CA MET A 73 -10.527 1.268 4.266 1.00 0.00 C ATOM 905 C MET A 73 -11.649 0.233 4.273 1.00 0.00 C ATOM 906 O MET A 73 -12.021 -0.294 3.223 1.00 0.00 O ATOM 907 CB MET A 73 -10.680 2.180 3.057 1.00 0.00 C ATOM 908 CG MET A 73 -11.511 3.424 3.331 1.00 0.00 C ATOM 909 SD MET A 73 -13.283 3.109 3.235 1.00 0.00 S ATOM 910 CE MET A 73 -13.550 3.222 1.468 1.00 0.00 C ATOM 0 H MET A 73 -8.876 0.512 3.248 1.00 0.00 H new ATOM 0 HA MET A 73 -10.588 1.851 5.185 1.00 0.00 H new ATOM 0 HB2 MET A 73 -9.691 2.483 2.714 1.00 0.00 H new ATOM 0 HB3 MET A 73 -11.141 1.618 2.245 1.00 0.00 H new ATOM 0 HG2 MET A 73 -11.267 3.808 4.321 1.00 0.00 H new ATOM 0 HG3 MET A 73 -11.244 4.200 2.613 1.00 0.00 H new ATOM 0 HE1 MET A 73 -14.603 3.050 1.247 1.00 0.00 H new ATOM 0 HE2 MET A 73 -13.264 4.214 1.120 1.00 0.00 H new ATOM 0 HE3 MET A 73 -12.945 2.471 0.960 1.00 0.00 H new ATOM 920 N MET A 74 -12.183 -0.060 5.452 1.00 0.00 N ATOM 921 CA MET A 74 -13.258 -1.038 5.576 1.00 0.00 C ATOM 922 C MET A 74 -14.616 -0.397 5.319 1.00 0.00 C ATOM 923 O MET A 74 -15.101 0.402 6.121 1.00 0.00 O ATOM 924 CB MET A 74 -13.233 -1.684 6.963 1.00 0.00 C ATOM 925 CG MET A 74 -13.708 -3.129 6.968 1.00 0.00 C ATOM 926 SD MET A 74 -14.770 -3.509 8.374 1.00 0.00 S ATOM 927 CE MET A 74 -15.094 -5.248 8.090 1.00 0.00 C ATOM 0 H MET A 74 -11.891 0.363 6.333 1.00 0.00 H new ATOM 0 HA MET A 74 -13.099 -1.810 4.823 1.00 0.00 H new ATOM 0 HB2 MET A 74 -12.217 -1.642 7.356 1.00 0.00 H new ATOM 0 HB3 MET A 74 -13.860 -1.101 7.638 1.00 0.00 H new ATOM 0 HG2 MET A 74 -14.249 -3.332 6.044 1.00 0.00 H new ATOM 0 HG3 MET A 74 -12.842 -3.791 6.983 1.00 0.00 H new ATOM 0 HE1 MET A 74 -15.741 -5.631 8.879 1.00 0.00 H new ATOM 0 HE2 MET A 74 -15.585 -5.374 7.125 1.00 0.00 H new ATOM 0 HE3 MET A 74 -14.153 -5.799 8.092 1.00 0.00 H new ATOM 937 N ARG A 75 -15.228 -0.759 4.194 1.00 0.00 N ATOM 938 CA ARG A 75 -16.533 -0.226 3.823 1.00 0.00 C ATOM 939 C ARG A 75 -17.605 -0.674 4.811 1.00 0.00 C ATOM 940 O ARG A 75 -17.921 0.106 5.733 1.00 0.00 O ATOM 941 CB ARG A 75 -16.905 -0.679 2.408 1.00 0.00 C ATOM 942 CG ARG A 75 -16.572 0.342 1.333 1.00 0.00 C ATOM 943 CD ARG A 75 -16.096 -0.329 0.056 1.00 0.00 C ATOM 944 NE ARG A 75 -16.998 -1.395 -0.372 1.00 0.00 N ATOM 945 CZ ARG A 75 -16.664 -2.337 -1.252 1.00 0.00 C ATOM 946 NH1 ARG A 75 -15.455 -2.341 -1.796 1.00 0.00 N ATOM 947 NH2 ARG A 75 -17.540 -3.274 -1.587 1.00 0.00 N ATOM 948 OXT ARG A 75 -18.118 -1.802 4.656 1.00 0.00 O ATOM 0 H ARG A 75 -14.838 -1.421 3.523 1.00 0.00 H new ATOM 0 HA ARG A 75 -16.475 0.862 3.848 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -16.385 -1.611 2.186 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -17.973 -0.894 2.374 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -17.453 0.948 1.120 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -15.800 1.019 1.699 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -16.014 0.416 -0.736 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -15.098 -0.739 0.212 1.00 0.00 H new ATOM 0 HE ARG A 75 -17.937 -1.419 0.026 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -14.778 -1.622 -1.541 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -15.201 -3.064 -2.470 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -18.471 -3.274 -1.171 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -17.283 -3.995 -2.261 1.00 0.00 H new TER 962 ARG A 75 ATOM 963 N ALA B 76 5.463 9.020 12.222 1.00 0.00 N ATOM 964 CA ALA B 76 6.110 8.704 10.922 1.00 0.00 C ATOM 965 C ALA B 76 6.456 7.221 10.829 1.00 0.00 C ATOM 966 O ALA B 76 7.621 6.838 10.944 1.00 0.00 O ATOM 967 CB ALA B 76 7.359 9.552 10.735 1.00 0.00 C ATOM 0 HA ALA B 76 5.404 8.937 10.125 1.00 0.00 H new ATOM 0 HB1 ALA B 76 7.823 9.310 9.779 1.00 0.00 H new ATOM 0 HB2 ALA B 76 7.088 10.608 10.750 1.00 0.00 H new ATOM 0 HB3 ALA B 76 8.062 9.347 11.542 1.00 0.00 H new ATOM 975 N PRO B 77 5.443 6.361 10.617 1.00 0.00 N ATOM 976 CA PRO B 77 5.645 4.912 10.505 1.00 0.00 C ATOM 977 C PRO B 77 6.671 4.556 9.435 1.00 0.00 C ATOM 978 O PRO B 77 6.366 4.559 8.243 1.00 0.00 O ATOM 979 CB PRO B 77 4.260 4.385 10.116 1.00 0.00 C ATOM 980 CG PRO B 77 3.309 5.418 10.611 1.00 0.00 C ATOM 981 CD PRO B 77 4.023 6.732 10.467 1.00 0.00 C ATOM 0 HA PRO B 77 6.032 4.481 11.428 1.00 0.00 H new ATOM 0 HB2 PRO B 77 4.175 4.253 9.037 1.00 0.00 H new ATOM 0 HB3 PRO B 77 4.063 3.415 10.572 1.00 0.00 H new ATOM 0 HG2 PRO B 77 2.385 5.409 10.032 1.00 0.00 H new ATOM 0 HG3 PRO B 77 3.036 5.233 11.650 1.00 0.00 H new ATOM 0 HD2 PRO B 77 3.827 7.193 9.499 1.00 0.00 H new ATOM 0 HD3 PRO B 77 3.710 7.446 11.229 1.00 0.00 H new ATOM 989 N SER B 78 7.889 4.253 9.864 1.00 0.00 N ATOM 990 CA SER B 78 8.956 3.902 8.937 1.00 0.00 C ATOM 991 C SER B 78 8.815 2.465 8.460 1.00 0.00 C ATOM 992 O SER B 78 8.817 1.527 9.257 1.00 0.00 O ATOM 993 CB SER B 78 10.318 4.115 9.597 1.00 0.00 C ATOM 994 OG SER B 78 11.365 4.038 8.646 1.00 0.00 O ATOM 0 H SER B 78 8.162 4.243 10.847 1.00 0.00 H new ATOM 0 HA SER B 78 8.880 4.553 8.066 1.00 0.00 H new ATOM 0 HB2 SER B 78 10.339 5.088 10.087 1.00 0.00 H new ATOM 0 HB3 SER B 78 10.471 3.364 10.372 1.00 0.00 H new ATOM 0 HG SER B 78 12.225 4.179 9.094 1.00 0.00 H new ATOM 1000 N ILE B 79 8.685 2.310 7.149 1.00 0.00 N ATOM 1001 CA ILE B 79 8.531 0.998 6.543 1.00 0.00 C ATOM 1002 C ILE B 79 9.825 0.544 5.870 1.00 0.00 C ATOM 1003 O ILE B 79 10.504 1.328 5.206 1.00 0.00 O ATOM 1004 CB ILE B 79 7.360 0.999 5.528 1.00 0.00 C ATOM 1005 CG1 ILE B 79 6.257 0.045 5.999 1.00 0.00 C ATOM 1006 CG2 ILE B 79 7.827 0.645 4.119 1.00 0.00 C ATOM 1007 CD1 ILE B 79 6.514 -1.413 5.672 1.00 0.00 C ATOM 0 H ILE B 79 8.683 3.083 6.483 1.00 0.00 H new ATOM 0 HA ILE B 79 8.300 0.288 7.337 1.00 0.00 H new ATOM 0 HB ILE B 79 6.956 2.010 5.482 1.00 0.00 H new ATOM 0 HG12 ILE B 79 6.139 0.148 7.078 1.00 0.00 H new ATOM 0 HG13 ILE B 79 5.313 0.347 5.545 1.00 0.00 H new ATOM 0 HG21 ILE B 79 6.975 0.657 3.439 1.00 0.00 H new ATOM 0 HG22 ILE B 79 8.566 1.374 3.787 1.00 0.00 H new ATOM 0 HG23 ILE B 79 8.274 -0.349 4.123 1.00 0.00 H new ATOM 0 HD11 ILE B 79 5.686 -2.020 6.040 1.00 0.00 H new ATOM 0 HD12 ILE B 79 6.601 -1.534 4.592 1.00 0.00 H new ATOM 0 HD13 ILE B 79 7.440 -1.735 6.149 1.00 0.00 H new ATOM 1019 N ASP B 80 10.158 -0.728 6.056 1.00 0.00 N ATOM 1020 CA ASP B 80 11.368 -1.302 5.477 1.00 0.00 C ATOM 1021 C ASP B 80 11.047 -2.083 4.205 1.00 0.00 C ATOM 1022 O ASP B 80 10.180 -2.957 4.206 1.00 0.00 O ATOM 1023 CB ASP B 80 12.058 -2.218 6.491 1.00 0.00 C ATOM 1024 CG ASP B 80 13.126 -1.496 7.291 1.00 0.00 C ATOM 1025 OD1 ASP B 80 12.949 -0.291 7.566 1.00 0.00 O ATOM 1026 OD2 ASP B 80 14.139 -2.138 7.641 1.00 0.00 O ATOM 0 H ASP B 80 9.604 -1.385 6.606 1.00 0.00 H new ATOM 0 HA ASP B 80 12.040 -0.484 5.219 1.00 0.00 H new ATOM 0 HB2 ASP B 80 11.312 -2.628 7.172 1.00 0.00 H new ATOM 0 HB3 ASP B 80 12.508 -3.061 5.967 1.00 0.00 H new ATOM 1031 N ARG B 81 11.749 -1.761 3.124 1.00 0.00 N ATOM 1032 CA ARG B 81 11.541 -2.429 1.842 1.00 0.00 C ATOM 1033 C ARG B 81 12.186 -3.812 1.834 1.00 0.00 C ATOM 1034 O ARG B 81 12.042 -4.569 0.874 1.00 0.00 O ATOM 1035 CB ARG B 81 12.110 -1.581 0.703 1.00 0.00 C ATOM 1036 CG ARG B 81 11.779 -0.102 0.821 1.00 0.00 C ATOM 1037 CD ARG B 81 11.692 0.563 -0.543 1.00 0.00 C ATOM 1038 NE ARG B 81 12.745 0.108 -1.446 1.00 0.00 N ATOM 1039 CZ ARG B 81 13.985 0.589 -1.436 1.00 0.00 C ATOM 1040 NH1 ARG B 81 14.329 1.529 -0.565 1.00 0.00 N ATOM 1041 NH2 ARG B 81 14.883 0.129 -2.296 1.00 0.00 N ATOM 0 H ARG B 81 12.470 -1.039 3.109 1.00 0.00 H new ATOM 0 HA ARG B 81 10.468 -2.550 1.695 1.00 0.00 H new ATOM 0 HB2 ARG B 81 13.193 -1.701 0.678 1.00 0.00 H new ATOM 0 HB3 ARG B 81 11.725 -1.956 -0.245 1.00 0.00 H new ATOM 0 HG2 ARG B 81 10.831 0.018 1.346 1.00 0.00 H new ATOM 0 HG3 ARG B 81 12.541 0.395 1.421 1.00 0.00 H new ATOM 0 HD2 ARG B 81 10.719 0.352 -0.987 1.00 0.00 H new ATOM 0 HD3 ARG B 81 11.760 1.644 -0.423 1.00 0.00 H new ATOM 0 HE ARG B 81 12.517 -0.620 -2.123 1.00 0.00 H new ATOM 0 HH11 ARG B 81 13.642 1.885 0.099 1.00 0.00 H new ATOM 0 HH12 ARG B 81 15.281 1.896 -0.560 1.00 0.00 H new ATOM 0 HH21 ARG B 81 14.623 -0.595 -2.966 1.00 0.00 H new ATOM 0 HH22 ARG B 81 15.834 0.499 -2.287 1.00 0.00 H new ATOM 1055 N SER B 82 12.902 -4.132 2.905 1.00 0.00 N ATOM 1056 CA SER B 82 13.577 -5.421 3.022 1.00 0.00 C ATOM 1057 C SER B 82 12.590 -6.536 3.356 1.00 0.00 C ATOM 1058 O SER B 82 12.984 -7.686 3.551 1.00 0.00 O ATOM 1059 CB SER B 82 14.663 -5.352 4.097 1.00 0.00 C ATOM 1060 OG SER B 82 15.934 -5.095 3.525 1.00 0.00 O ATOM 0 H SER B 82 13.031 -3.516 3.707 1.00 0.00 H new ATOM 0 HA SER B 82 14.034 -5.647 2.059 1.00 0.00 H new ATOM 0 HB2 SER B 82 14.419 -4.569 4.815 1.00 0.00 H new ATOM 0 HB3 SER B 82 14.693 -6.292 4.649 1.00 0.00 H new ATOM 0 HG SER B 82 16.610 -5.054 4.234 1.00 0.00 H new ATOM 1066 N THR B 83 11.308 -6.190 3.422 1.00 0.00 N ATOM 1067 CA THR B 83 10.271 -7.166 3.737 1.00 0.00 C ATOM 1068 C THR B 83 9.165 -7.160 2.684 1.00 0.00 C ATOM 1069 O THR B 83 8.020 -7.515 2.968 1.00 0.00 O ATOM 1070 CB THR B 83 9.662 -6.907 5.129 1.00 0.00 C ATOM 1071 OG1 THR B 83 8.742 -7.953 5.467 1.00 0.00 O ATOM 1072 CG2 THR B 83 8.949 -5.565 5.172 1.00 0.00 C ATOM 0 H THR B 83 10.963 -5.243 3.262 1.00 0.00 H new ATOM 0 HA THR B 83 10.747 -8.147 3.740 1.00 0.00 H new ATOM 0 HB THR B 83 10.475 -6.890 5.855 1.00 0.00 H new ATOM 0 HG1 THR B 83 8.195 -8.173 4.684 1.00 0.00 H new ATOM 0 HG21 THR B 83 8.529 -5.408 6.165 1.00 0.00 H new ATOM 0 HG22 THR B 83 9.659 -4.769 4.948 1.00 0.00 H new ATOM 0 HG23 THR B 83 8.148 -5.555 4.433 1.00 0.00 H new ATOM 1080 N LYS B 84 9.517 -6.756 1.468 1.00 0.00 N ATOM 1081 CA LYS B 84 8.564 -6.706 0.368 1.00 0.00 C ATOM 1082 C LYS B 84 8.034 -8.105 0.046 1.00 0.00 C ATOM 1083 O LYS B 84 8.650 -9.102 0.421 1.00 0.00 O ATOM 1084 CB LYS B 84 9.238 -6.094 -0.861 1.00 0.00 C ATOM 1085 CG LYS B 84 8.884 -4.632 -1.079 1.00 0.00 C ATOM 1086 CD LYS B 84 10.124 -3.793 -1.351 1.00 0.00 C ATOM 1087 CE LYS B 84 10.447 -3.739 -2.834 1.00 0.00 C ATOM 1088 NZ LYS B 84 11.545 -4.677 -3.197 1.00 0.00 N ATOM 0 H LYS B 84 10.460 -6.457 1.220 1.00 0.00 H new ATOM 0 HA LYS B 84 7.717 -6.086 0.661 1.00 0.00 H new ATOM 0 HB2 LYS B 84 10.319 -6.187 -0.757 1.00 0.00 H new ATOM 0 HB3 LYS B 84 8.953 -6.665 -1.745 1.00 0.00 H new ATOM 0 HG2 LYS B 84 8.193 -4.545 -1.918 1.00 0.00 H new ATOM 0 HG3 LYS B 84 8.368 -4.246 -0.200 1.00 0.00 H new ATOM 0 HD2 LYS B 84 9.970 -2.782 -0.974 1.00 0.00 H new ATOM 0 HD3 LYS B 84 10.972 -4.210 -0.808 1.00 0.00 H new ATOM 0 HE2 LYS B 84 9.554 -3.985 -3.409 1.00 0.00 H new ATOM 0 HE3 LYS B 84 10.732 -2.723 -3.107 1.00 0.00 H new ATOM 0 HZ1 LYS B 84 11.736 -4.610 -4.217 1.00 0.00 H new ATOM 0 HZ2 LYS B 84 12.404 -4.427 -2.667 1.00 0.00 H new ATOM 0 HZ3 LYS B 84 11.263 -5.650 -2.960 1.00 0.00 H new ATOM 1102 N PRO B 85 6.877 -8.199 -0.647 1.00 0.00 N ATOM 1103 CA PRO B 85 6.272 -9.485 -1.007 1.00 0.00 C ATOM 1104 C PRO B 85 7.300 -10.509 -1.484 1.00 0.00 C ATOM 1105 O PRO B 85 8.124 -10.219 -2.350 1.00 0.00 O ATOM 1106 CB PRO B 85 5.323 -9.110 -2.142 1.00 0.00 C ATOM 1107 CG PRO B 85 4.898 -7.717 -1.829 1.00 0.00 C ATOM 1108 CD PRO B 85 6.065 -7.061 -1.131 1.00 0.00 C ATOM 0 HA PRO B 85 5.785 -9.960 -0.156 1.00 0.00 H new ATOM 0 HB2 PRO B 85 5.821 -9.165 -3.110 1.00 0.00 H new ATOM 0 HB3 PRO B 85 4.469 -9.785 -2.184 1.00 0.00 H new ATOM 0 HG2 PRO B 85 4.637 -7.177 -2.739 1.00 0.00 H new ATOM 0 HG3 PRO B 85 4.014 -7.715 -1.192 1.00 0.00 H new ATOM 0 HD2 PRO B 85 6.632 -6.427 -1.812 1.00 0.00 H new ATOM 0 HD3 PRO B 85 5.734 -6.428 -0.308 1.00 0.00 H new ATOM 1116 N ALA B 86 7.246 -11.705 -0.906 1.00 0.00 N ATOM 1117 CA ALA B 86 8.175 -12.770 -1.266 1.00 0.00 C ATOM 1118 C ALA B 86 7.484 -14.130 -1.265 1.00 0.00 C ATOM 1119 O ALA B 86 6.557 -14.321 -0.451 1.00 0.00 O ATOM 1120 CB ALA B 86 9.358 -12.777 -0.309 1.00 0.00 C ATOM 1121 OXT ALA B 86 7.874 -14.991 -2.082 1.00 0.00 O ATOM 0 H ALA B 86 6.569 -11.961 -0.187 1.00 0.00 H new ATOM 0 HA ALA B 86 8.535 -12.579 -2.277 1.00 0.00 H new ATOM 0 HB1 ALA B 86 10.046 -13.576 -0.586 1.00 0.00 H new ATOM 0 HB2 ALA B 86 9.875 -11.819 -0.362 1.00 0.00 H new ATOM 0 HB3 ALA B 86 9.002 -12.941 0.708 1.00 0.00 H new TER 1127 ALA B 86