USER MOD reduce.3.24.130724 H: found=0, std=0, add=676, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 674 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 73 SER OG : rot 113:sc= 0.66 USER MOD Set 1.2: A 86 SER OG : rot -109:sc= 1.41 USER MOD Set 2.1: A 78 HIS : no HE2:sc= -0.419 K(o=-0.42,f=-4.3!) USER MOD Set 2.2: A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 12 GLN : amide:sc= -0.359 X(o=-0.36,f=0) USER MOD Single : A 27 THR OG1 : rot 180:sc= -0.131 USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 GLN : amide:sc= -3.14! C(o=-3.1!,f=-3.7!) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 41 GLN : amide:sc= -0.0435 X(o=-0.044,f=-0.53) USER MOD Single : A 43 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 45 MET CE :methyl 159:sc= -0.303 (180deg=-1.11) USER MOD Single : A 46 LYS NZ :NH3+ -133:sc= 1.25 (180deg=-0.659) USER MOD Single : A 56 SER OG : rot 108:sc= 0.0746 USER MOD Single : A 67 GLN : amide:sc= -0.125 K(o=-0.13,f=-2!) USER MOD Single : A 69 GLN : amide:sc= -0.521 K(o=-0.52,f=-5!) USER MOD Single : A 71 THR OG1 : rot 180:sc= 0.0385 USER MOD Single : A 72 TYR OH : rot 3:sc= 1.25 USER MOD Single : A 77 THR OG1 : rot 30:sc= 0.473 USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 81 HIS : no HD1:sc= -1.43 K(o=-1.4,f=-3.6!) USER MOD Single : A 84 GLN : amide:sc= -0.266 X(o=-0.27,f=-0.21) USER MOD Single : A 90 SER OG : rot 25:sc= 0.959 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -5.983 2.030 14.714 1.00 0.00 N ATOM 2 CA GLY A 1 -6.825 3.212 14.669 1.00 0.00 C ATOM 3 C GLY A 1 -6.260 4.357 15.485 1.00 0.00 C ATOM 4 O GLY A 1 -6.822 4.732 16.515 1.00 0.00 O ATOM 0 H1 GLY A 1 -6.412 1.276 14.141 1.00 0.00 H new ATOM 0 H2 GLY A 1 -5.042 2.259 14.335 1.00 0.00 H new ATOM 0 H3 GLY A 1 -5.891 1.707 15.698 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -6.943 3.531 13.633 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -7.819 2.961 15.040 1.00 0.00 H new ATOM 8 N SER A 2 -5.144 4.915 15.026 1.00 0.00 N ATOM 9 CA SER A 2 -4.500 6.022 15.723 1.00 0.00 C ATOM 10 C SER A 2 -5.092 7.358 15.287 1.00 0.00 C ATOM 11 O SER A 2 -5.397 7.560 14.111 1.00 0.00 O ATOM 12 CB SER A 2 -2.993 6.009 15.461 1.00 0.00 C ATOM 13 OG SER A 2 -2.386 7.208 15.911 1.00 0.00 O ATOM 0 H SER A 2 -4.667 4.618 14.174 1.00 0.00 H new ATOM 0 HA SER A 2 -4.677 5.898 16.791 1.00 0.00 H new ATOM 0 HB2 SER A 2 -2.540 5.156 15.967 1.00 0.00 H new ATOM 0 HB3 SER A 2 -2.807 5.882 14.394 1.00 0.00 H new ATOM 0 HG SER A 2 -1.423 7.174 15.733 1.00 0.00 H new ATOM 19 N SER A 3 -5.253 8.268 16.242 1.00 0.00 N ATOM 20 CA SER A 3 -5.812 9.584 15.959 1.00 0.00 C ATOM 21 C SER A 3 -4.717 10.562 15.544 1.00 0.00 C ATOM 22 O SER A 3 -3.594 10.503 16.044 1.00 0.00 O ATOM 23 CB SER A 3 -6.554 10.121 17.184 1.00 0.00 C ATOM 24 OG SER A 3 -7.296 11.284 16.862 1.00 0.00 O ATOM 0 H SER A 3 -5.004 8.118 17.220 1.00 0.00 H new ATOM 0 HA SER A 3 -6.516 9.482 15.133 1.00 0.00 H new ATOM 0 HB2 SER A 3 -7.224 9.354 17.572 1.00 0.00 H new ATOM 0 HB3 SER A 3 -5.839 10.349 17.975 1.00 0.00 H new ATOM 0 HG SER A 3 -7.762 11.606 17.661 1.00 0.00 H new ATOM 30 N GLY A 4 -5.053 11.462 14.625 1.00 0.00 N ATOM 31 CA GLY A 4 -4.088 12.441 14.158 1.00 0.00 C ATOM 32 C GLY A 4 -4.737 13.570 13.382 1.00 0.00 C ATOM 33 O GLY A 4 -4.487 14.744 13.656 1.00 0.00 O ATOM 0 H GLY A 4 -5.976 11.531 14.196 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -3.551 12.853 15.012 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -3.350 11.947 13.526 1.00 0.00 H new ATOM 37 N SER A 5 -5.572 13.216 12.410 1.00 0.00 N ATOM 38 CA SER A 5 -6.255 14.208 11.589 1.00 0.00 C ATOM 39 C SER A 5 -7.676 14.445 12.091 1.00 0.00 C ATOM 40 O SER A 5 -8.151 13.752 12.991 1.00 0.00 O ATOM 41 CB SER A 5 -6.286 13.757 10.127 1.00 0.00 C ATOM 42 OG SER A 5 -5.062 14.051 9.476 1.00 0.00 O ATOM 0 H SER A 5 -5.792 12.249 12.172 1.00 0.00 H new ATOM 0 HA SER A 5 -5.703 15.145 11.661 1.00 0.00 H new ATOM 0 HB2 SER A 5 -6.479 12.685 10.078 1.00 0.00 H new ATOM 0 HB3 SER A 5 -7.106 14.253 9.608 1.00 0.00 H new ATOM 0 HG SER A 5 -5.107 13.751 8.544 1.00 0.00 H new ATOM 48 N SER A 6 -8.349 15.428 11.502 1.00 0.00 N ATOM 49 CA SER A 6 -9.715 15.759 11.891 1.00 0.00 C ATOM 50 C SER A 6 -10.722 14.958 11.073 1.00 0.00 C ATOM 51 O SER A 6 -11.929 15.049 11.292 1.00 0.00 O ATOM 52 CB SER A 6 -9.970 17.257 11.710 1.00 0.00 C ATOM 53 OG SER A 6 -10.070 17.595 10.338 1.00 0.00 O ATOM 0 H SER A 6 -7.971 16.009 10.754 1.00 0.00 H new ATOM 0 HA SER A 6 -9.840 15.500 12.942 1.00 0.00 H new ATOM 0 HB2 SER A 6 -10.889 17.537 12.225 1.00 0.00 H new ATOM 0 HB3 SER A 6 -9.161 17.825 12.170 1.00 0.00 H new ATOM 0 HG SER A 6 -10.235 18.557 10.249 1.00 0.00 H new ATOM 59 N GLY A 7 -10.216 14.171 10.128 1.00 0.00 N ATOM 60 CA GLY A 7 -11.084 13.364 9.291 1.00 0.00 C ATOM 61 C GLY A 7 -11.049 13.792 7.837 1.00 0.00 C ATOM 62 O GLY A 7 -12.079 13.809 7.162 1.00 0.00 O ATOM 0 H GLY A 7 -9.220 14.078 9.927 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -10.786 12.318 9.366 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -12.107 13.432 9.662 1.00 0.00 H new ATOM 66 N LEU A 8 -9.862 14.140 7.354 1.00 0.00 N ATOM 67 CA LEU A 8 -9.696 14.572 5.970 1.00 0.00 C ATOM 68 C LEU A 8 -8.499 13.883 5.324 1.00 0.00 C ATOM 69 O LEU A 8 -7.362 14.049 5.765 1.00 0.00 O ATOM 70 CB LEU A 8 -9.519 16.091 5.907 1.00 0.00 C ATOM 71 CG LEU A 8 -9.481 16.704 4.507 1.00 0.00 C ATOM 72 CD1 LEU A 8 -9.625 18.216 4.583 1.00 0.00 C ATOM 73 CD2 LEU A 8 -8.192 16.324 3.793 1.00 0.00 C ATOM 0 H LEU A 8 -9.000 14.132 7.899 1.00 0.00 H new ATOM 0 HA LEU A 8 -10.594 14.293 5.418 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -10.333 16.555 6.463 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -8.593 16.351 6.421 1.00 0.00 H new ATOM 0 HG LEU A 8 -10.320 16.308 3.935 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -9.596 18.635 3.577 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -10.575 18.468 5.054 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -8.807 18.630 5.173 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -8.182 16.769 2.798 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -7.339 16.691 4.363 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -8.131 15.239 3.706 1.00 0.00 H new ATOM 85 N GLU A 9 -8.763 13.110 4.275 1.00 0.00 N ATOM 86 CA GLU A 9 -7.706 12.396 3.567 1.00 0.00 C ATOM 87 C GLU A 9 -8.115 12.108 2.126 1.00 0.00 C ATOM 88 O GLU A 9 -9.232 11.663 1.864 1.00 0.00 O ATOM 89 CB GLU A 9 -7.375 11.087 4.286 1.00 0.00 C ATOM 90 CG GLU A 9 -6.444 11.264 5.474 1.00 0.00 C ATOM 91 CD GLU A 9 -5.887 9.947 5.980 1.00 0.00 C ATOM 92 OE1 GLU A 9 -6.554 8.908 5.791 1.00 0.00 O ATOM 93 OE2 GLU A 9 -4.784 9.956 6.564 1.00 0.00 O ATOM 0 H GLU A 9 -9.699 12.962 3.897 1.00 0.00 H new ATOM 0 HA GLU A 9 -6.819 13.030 3.555 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -8.302 10.625 4.627 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -6.918 10.398 3.576 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -5.619 11.918 5.190 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -6.982 11.761 6.281 1.00 0.00 H new ATOM 100 N GLU A 10 -7.202 12.368 1.195 1.00 0.00 N ATOM 101 CA GLU A 10 -7.469 12.138 -0.221 1.00 0.00 C ATOM 102 C GLU A 10 -6.814 10.843 -0.694 1.00 0.00 C ATOM 103 O GLU A 10 -7.443 10.027 -1.369 1.00 0.00 O ATOM 104 CB GLU A 10 -6.960 13.314 -1.056 1.00 0.00 C ATOM 105 CG GLU A 10 -7.831 14.555 -0.955 1.00 0.00 C ATOM 106 CD GLU A 10 -7.452 15.441 0.215 1.00 0.00 C ATOM 107 OE1 GLU A 10 -6.288 15.368 0.662 1.00 0.00 O ATOM 108 OE2 GLU A 10 -8.319 16.209 0.683 1.00 0.00 O ATOM 0 H GLU A 10 -6.273 12.737 1.395 1.00 0.00 H new ATOM 0 HA GLU A 10 -8.547 12.049 -0.352 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -5.948 13.564 -0.737 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -6.899 13.008 -2.100 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -7.751 15.127 -1.880 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -8.874 14.255 -0.855 1.00 0.00 H new ATOM 115 N VAL A 11 -5.547 10.661 -0.335 1.00 0.00 N ATOM 116 CA VAL A 11 -4.807 9.466 -0.722 1.00 0.00 C ATOM 117 C VAL A 11 -5.672 8.218 -0.593 1.00 0.00 C ATOM 118 O VAL A 11 -6.347 8.021 0.417 1.00 0.00 O ATOM 119 CB VAL A 11 -3.539 9.290 0.135 1.00 0.00 C ATOM 120 CG1 VAL A 11 -2.771 8.050 -0.297 1.00 0.00 C ATOM 121 CG2 VAL A 11 -2.660 10.529 0.047 1.00 0.00 C ATOM 0 H VAL A 11 -5.012 11.326 0.223 1.00 0.00 H new ATOM 0 HA VAL A 11 -4.517 9.597 -1.765 1.00 0.00 H new ATOM 0 HB VAL A 11 -3.839 9.159 1.175 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -1.878 7.942 0.319 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -3.403 7.170 -0.177 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -2.480 8.148 -1.343 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -1.769 10.387 0.658 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -2.366 10.694 -0.990 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -3.214 11.395 0.409 1.00 0.00 H new ATOM 131 N GLN A 12 -5.646 7.378 -1.622 1.00 0.00 N ATOM 132 CA GLN A 12 -6.429 6.148 -1.623 1.00 0.00 C ATOM 133 C GLN A 12 -5.573 4.958 -2.045 1.00 0.00 C ATOM 134 O GLN A 12 -5.145 4.865 -3.196 1.00 0.00 O ATOM 135 CB GLN A 12 -7.631 6.284 -2.560 1.00 0.00 C ATOM 136 CG GLN A 12 -8.748 5.296 -2.263 1.00 0.00 C ATOM 137 CD GLN A 12 -9.738 5.176 -3.405 1.00 0.00 C ATOM 138 OE1 GLN A 12 -10.671 5.971 -3.520 1.00 0.00 O ATOM 139 NE2 GLN A 12 -9.540 4.177 -4.258 1.00 0.00 N ATOM 0 H GLN A 12 -5.092 7.526 -2.465 1.00 0.00 H new ATOM 0 HA GLN A 12 -6.786 5.974 -0.608 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -8.025 7.298 -2.488 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -7.297 6.144 -3.588 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -8.317 4.317 -2.056 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -9.275 5.609 -1.361 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -8.754 3.541 -4.125 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -10.174 4.046 -5.046 1.00 0.00 H new ATOM 148 N LEU A 13 -5.327 4.050 -1.107 1.00 0.00 N ATOM 149 CA LEU A 13 -4.521 2.865 -1.381 1.00 0.00 C ATOM 150 C LEU A 13 -5.385 1.735 -1.931 1.00 0.00 C ATOM 151 O LEU A 13 -6.407 1.379 -1.345 1.00 0.00 O ATOM 152 CB LEU A 13 -3.807 2.405 -0.109 1.00 0.00 C ATOM 153 CG LEU A 13 -3.267 0.974 -0.123 1.00 0.00 C ATOM 154 CD1 LEU A 13 -1.923 0.918 -0.833 1.00 0.00 C ATOM 155 CD2 LEU A 13 -3.146 0.435 1.295 1.00 0.00 C ATOM 0 H LEU A 13 -5.674 4.112 -0.150 1.00 0.00 H new ATOM 0 HA LEU A 13 -3.777 3.127 -2.133 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -2.976 3.084 0.083 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -4.499 2.503 0.728 1.00 0.00 H new ATOM 0 HG LEU A 13 -3.970 0.346 -0.670 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -1.554 -0.108 -0.833 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -2.040 1.262 -1.861 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -1.211 1.560 -0.314 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -2.760 -0.584 1.265 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -2.464 1.065 1.867 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -4.127 0.438 1.770 1.00 0.00 H new ATOM 167 N VAL A 14 -4.965 1.172 -3.060 1.00 0.00 N ATOM 168 CA VAL A 14 -5.698 0.080 -3.688 1.00 0.00 C ATOM 169 C VAL A 14 -4.800 -1.133 -3.903 1.00 0.00 C ATOM 170 O VAL A 14 -4.075 -1.214 -4.895 1.00 0.00 O ATOM 171 CB VAL A 14 -6.296 0.509 -5.041 1.00 0.00 C ATOM 172 CG1 VAL A 14 -7.039 -0.650 -5.688 1.00 0.00 C ATOM 173 CG2 VAL A 14 -7.213 1.709 -4.862 1.00 0.00 C ATOM 0 H VAL A 14 -4.121 1.455 -3.558 1.00 0.00 H new ATOM 0 HA VAL A 14 -6.509 -0.187 -3.010 1.00 0.00 H new ATOM 0 HB VAL A 14 -5.481 0.801 -5.703 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -7.455 -0.328 -6.643 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -6.349 -1.478 -5.853 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -7.846 -0.976 -5.032 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -7.626 1.998 -5.828 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -8.025 1.448 -4.183 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -6.646 2.542 -4.446 1.00 0.00 H new ATOM 183 N VAL A 15 -4.852 -2.075 -2.967 1.00 0.00 N ATOM 184 CA VAL A 15 -4.044 -3.285 -3.054 1.00 0.00 C ATOM 185 C VAL A 15 -4.672 -4.299 -4.004 1.00 0.00 C ATOM 186 O VAL A 15 -5.895 -4.378 -4.121 1.00 0.00 O ATOM 187 CB VAL A 15 -3.860 -3.939 -1.671 1.00 0.00 C ATOM 188 CG1 VAL A 15 -3.013 -5.197 -1.783 1.00 0.00 C ATOM 189 CG2 VAL A 15 -3.238 -2.952 -0.695 1.00 0.00 C ATOM 0 H VAL A 15 -5.446 -2.023 -2.139 1.00 0.00 H new ATOM 0 HA VAL A 15 -3.069 -2.986 -3.439 1.00 0.00 H new ATOM 0 HB VAL A 15 -4.840 -4.224 -1.289 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -2.894 -5.645 -0.796 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -3.504 -5.908 -2.447 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -2.033 -4.941 -2.186 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -3.115 -3.430 0.277 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -2.265 -2.635 -1.069 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -3.888 -2.083 -0.592 1.00 0.00 H new ATOM 199 N GLU A 16 -3.828 -5.072 -4.679 1.00 0.00 N ATOM 200 CA GLU A 16 -4.302 -6.081 -5.619 1.00 0.00 C ATOM 201 C GLU A 16 -3.647 -7.432 -5.343 1.00 0.00 C ATOM 202 O GLU A 16 -2.459 -7.636 -5.591 1.00 0.00 O ATOM 203 CB GLU A 16 -4.014 -5.646 -7.057 1.00 0.00 C ATOM 204 CG GLU A 16 -4.798 -4.419 -7.490 1.00 0.00 C ATOM 205 CD GLU A 16 -6.298 -4.634 -7.429 1.00 0.00 C ATOM 206 OE1 GLU A 16 -6.761 -5.712 -7.855 1.00 0.00 O ATOM 207 OE2 GLU A 16 -7.008 -3.723 -6.954 1.00 0.00 O ATOM 0 H GLU A 16 -2.813 -5.019 -4.593 1.00 0.00 H new ATOM 0 HA GLU A 16 -5.379 -6.185 -5.488 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -2.948 -5.441 -7.159 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -4.246 -6.471 -7.731 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -4.529 -3.577 -6.852 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -4.514 -4.151 -8.508 1.00 0.00 H new ATOM 214 N PRO A 17 -4.440 -8.377 -4.818 1.00 0.00 N ATOM 215 CA PRO A 17 -5.857 -8.146 -4.519 1.00 0.00 C ATOM 216 C PRO A 17 -6.053 -7.191 -3.346 1.00 0.00 C ATOM 217 O PRO A 17 -5.176 -7.053 -2.494 1.00 0.00 O ATOM 218 CB PRO A 17 -6.377 -9.541 -4.165 1.00 0.00 C ATOM 219 CG PRO A 17 -5.177 -10.283 -3.686 1.00 0.00 C ATOM 220 CD PRO A 17 -4.016 -9.745 -4.475 1.00 0.00 C ATOM 0 HA PRO A 17 -6.380 -7.681 -5.355 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -7.146 -9.493 -3.394 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -6.824 -10.028 -5.031 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -5.026 -10.132 -2.617 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -5.293 -11.355 -3.843 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -3.097 -9.746 -3.889 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -3.825 -10.342 -5.367 1.00 0.00 H new ATOM 228 N GLU A 18 -7.209 -6.536 -3.309 1.00 0.00 N ATOM 229 CA GLU A 18 -7.518 -5.594 -2.240 1.00 0.00 C ATOM 230 C GLU A 18 -7.741 -6.324 -0.918 1.00 0.00 C ATOM 231 O GLU A 18 -7.676 -5.725 0.154 1.00 0.00 O ATOM 232 CB GLU A 18 -8.759 -4.773 -2.596 1.00 0.00 C ATOM 233 CG GLU A 18 -10.057 -5.557 -2.499 1.00 0.00 C ATOM 234 CD GLU A 18 -10.302 -6.431 -3.714 1.00 0.00 C ATOM 235 OE1 GLU A 18 -10.805 -5.907 -4.729 1.00 0.00 O ATOM 236 OE2 GLU A 18 -9.992 -7.639 -3.649 1.00 0.00 O ATOM 0 H GLU A 18 -7.946 -6.640 -4.006 1.00 0.00 H new ATOM 0 HA GLU A 18 -6.667 -4.923 -2.126 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -8.816 -3.910 -1.933 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -8.651 -4.389 -3.610 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -10.034 -6.181 -1.606 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -10.889 -4.862 -2.382 1.00 0.00 H new ATOM 243 N GLY A 19 -8.004 -7.625 -1.005 1.00 0.00 N ATOM 244 CA GLY A 19 -8.233 -8.417 0.190 1.00 0.00 C ATOM 245 C GLY A 19 -7.052 -8.389 1.139 1.00 0.00 C ATOM 246 O GLY A 19 -7.215 -8.541 2.349 1.00 0.00 O ATOM 0 H GLY A 19 -8.063 -8.144 -1.881 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -9.118 -8.044 0.705 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -8.441 -9.448 -0.096 1.00 0.00 H new ATOM 250 N GLY A 20 -5.856 -8.196 0.589 1.00 0.00 N ATOM 251 CA GLY A 20 -4.660 -8.155 1.409 1.00 0.00 C ATOM 252 C GLY A 20 -4.245 -9.528 1.899 1.00 0.00 C ATOM 253 O GLY A 20 -3.642 -9.659 2.963 1.00 0.00 O ATOM 0 H GLY A 20 -5.695 -8.067 -0.410 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -3.844 -7.716 0.835 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -4.833 -7.504 2.266 1.00 0.00 H new ATOM 257 N ALA A 21 -4.570 -10.555 1.120 1.00 0.00 N ATOM 258 CA ALA A 21 -4.227 -11.925 1.481 1.00 0.00 C ATOM 259 C ALA A 21 -3.937 -12.763 0.240 1.00 0.00 C ATOM 260 O ALA A 21 -4.794 -12.920 -0.630 1.00 0.00 O ATOM 261 CB ALA A 21 -5.349 -12.554 2.294 1.00 0.00 C ATOM 0 H ALA A 21 -5.070 -10.464 0.236 1.00 0.00 H new ATOM 0 HA ALA A 21 -3.323 -11.899 2.090 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -5.079 -13.577 2.556 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -5.507 -11.976 3.204 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -6.266 -12.561 1.705 1.00 0.00 H new ATOM 267 N VAL A 22 -2.723 -13.299 0.164 1.00 0.00 N ATOM 268 CA VAL A 22 -2.320 -14.122 -0.970 1.00 0.00 C ATOM 269 C VAL A 22 -1.487 -15.315 -0.515 1.00 0.00 C ATOM 270 O VAL A 22 -0.855 -15.278 0.540 1.00 0.00 O ATOM 271 CB VAL A 22 -1.510 -13.305 -1.995 1.00 0.00 C ATOM 272 CG1 VAL A 22 -2.296 -12.084 -2.446 1.00 0.00 C ATOM 273 CG2 VAL A 22 -0.166 -12.899 -1.410 1.00 0.00 C ATOM 0 H VAL A 22 -2.001 -13.178 0.875 1.00 0.00 H new ATOM 0 HA VAL A 22 -3.234 -14.481 -1.442 1.00 0.00 H new ATOM 0 HB VAL A 22 -1.326 -13.931 -2.868 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -1.708 -11.520 -3.170 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -3.230 -12.403 -2.908 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -2.514 -11.453 -1.584 1.00 0.00 H new ATOM 0 HG21 VAL A 22 0.393 -12.323 -2.148 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -0.326 -12.291 -0.520 1.00 0.00 H new ATOM 0 HG23 VAL A 22 0.399 -13.792 -1.143 1.00 0.00 H new ATOM 283 N ALA A 23 -1.491 -16.373 -1.319 1.00 0.00 N ATOM 284 CA ALA A 23 -0.734 -17.577 -1.001 1.00 0.00 C ATOM 285 C ALA A 23 0.751 -17.267 -0.845 1.00 0.00 C ATOM 286 O ALA A 23 1.238 -16.217 -1.266 1.00 0.00 O ATOM 287 CB ALA A 23 -0.944 -18.633 -2.077 1.00 0.00 C ATOM 0 H ALA A 23 -2.010 -16.421 -2.196 1.00 0.00 H new ATOM 0 HA ALA A 23 -1.100 -17.965 -0.050 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -0.373 -19.527 -1.826 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -2.003 -18.885 -2.138 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -0.607 -18.245 -3.038 1.00 0.00 H new ATOM 293 N PRO A 24 1.489 -18.200 -0.226 1.00 0.00 N ATOM 294 CA PRO A 24 2.930 -18.048 0.000 1.00 0.00 C ATOM 295 C PRO A 24 3.732 -18.132 -1.294 1.00 0.00 C ATOM 296 O PRO A 24 4.066 -19.221 -1.759 1.00 0.00 O ATOM 297 CB PRO A 24 3.271 -19.224 0.918 1.00 0.00 C ATOM 298 CG PRO A 24 2.224 -20.244 0.631 1.00 0.00 C ATOM 299 CD PRO A 24 0.975 -19.475 0.301 1.00 0.00 C ATOM 0 HA PRO A 24 3.176 -17.074 0.423 1.00 0.00 H new ATOM 0 HB2 PRO A 24 4.269 -19.612 0.711 1.00 0.00 H new ATOM 0 HB3 PRO A 24 3.256 -18.925 1.966 1.00 0.00 H new ATOM 0 HG2 PRO A 24 2.520 -20.883 -0.201 1.00 0.00 H new ATOM 0 HG3 PRO A 24 2.066 -20.894 1.492 1.00 0.00 H new ATOM 0 HD2 PRO A 24 0.364 -19.997 -0.435 1.00 0.00 H new ATOM 0 HD3 PRO A 24 0.352 -19.324 1.182 1.00 0.00 H new ATOM 307 N GLY A 25 4.038 -16.975 -1.872 1.00 0.00 N ATOM 308 CA GLY A 25 4.798 -16.941 -3.108 1.00 0.00 C ATOM 309 C GLY A 25 4.027 -16.302 -4.246 1.00 0.00 C ATOM 310 O GLY A 25 4.296 -16.572 -5.416 1.00 0.00 O ATOM 0 H GLY A 25 3.773 -16.060 -1.507 1.00 0.00 H new ATOM 0 HA2 GLY A 25 5.724 -16.390 -2.946 1.00 0.00 H new ATOM 0 HA3 GLY A 25 5.077 -17.957 -3.388 1.00 0.00 H new ATOM 314 N GLY A 26 3.063 -15.453 -3.903 1.00 0.00 N ATOM 315 CA GLY A 26 2.264 -14.789 -4.916 1.00 0.00 C ATOM 316 C GLY A 26 2.825 -13.435 -5.302 1.00 0.00 C ATOM 317 O GLY A 26 4.012 -13.169 -5.112 1.00 0.00 O ATOM 0 H GLY A 26 2.821 -15.213 -2.941 1.00 0.00 H new ATOM 0 HA2 GLY A 26 2.208 -15.421 -5.802 1.00 0.00 H new ATOM 0 HA3 GLY A 26 1.246 -14.665 -4.548 1.00 0.00 H new ATOM 321 N THR A 27 1.969 -12.575 -5.846 1.00 0.00 N ATOM 322 CA THR A 27 2.386 -11.242 -6.262 1.00 0.00 C ATOM 323 C THR A 27 1.285 -10.218 -6.012 1.00 0.00 C ATOM 324 O THR A 27 0.218 -10.277 -6.622 1.00 0.00 O ATOM 325 CB THR A 27 2.769 -11.213 -7.754 1.00 0.00 C ATOM 326 OG1 THR A 27 3.794 -12.178 -8.016 1.00 0.00 O ATOM 327 CG2 THR A 27 3.253 -9.829 -8.162 1.00 0.00 C ATOM 0 H THR A 27 0.983 -12.778 -6.009 1.00 0.00 H new ATOM 0 HA THR A 27 3.261 -10.984 -5.665 1.00 0.00 H new ATOM 0 HB THR A 27 1.882 -11.458 -8.338 1.00 0.00 H new ATOM 0 HG1 THR A 27 4.030 -12.154 -8.967 1.00 0.00 H new ATOM 0 HG21 THR A 27 3.518 -9.833 -9.219 1.00 0.00 H new ATOM 0 HG22 THR A 27 2.461 -9.101 -7.989 1.00 0.00 H new ATOM 0 HG23 THR A 27 4.128 -9.560 -7.570 1.00 0.00 H new ATOM 335 N VAL A 28 1.551 -9.279 -5.110 1.00 0.00 N ATOM 336 CA VAL A 28 0.583 -8.240 -4.780 1.00 0.00 C ATOM 337 C VAL A 28 1.060 -6.872 -5.256 1.00 0.00 C ATOM 338 O VAL A 28 2.250 -6.562 -5.198 1.00 0.00 O ATOM 339 CB VAL A 28 0.318 -8.180 -3.263 1.00 0.00 C ATOM 340 CG1 VAL A 28 -0.706 -7.102 -2.942 1.00 0.00 C ATOM 341 CG2 VAL A 28 -0.142 -9.535 -2.749 1.00 0.00 C ATOM 0 H VAL A 28 2.429 -9.216 -4.595 1.00 0.00 H new ATOM 0 HA VAL A 28 -0.344 -8.497 -5.293 1.00 0.00 H new ATOM 0 HB VAL A 28 1.250 -7.923 -2.759 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -0.880 -7.074 -1.866 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -0.331 -6.134 -3.274 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -1.641 -7.324 -3.456 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -0.324 -9.474 -1.676 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -1.062 -9.824 -3.258 1.00 0.00 H new ATOM 0 HG23 VAL A 28 0.630 -10.279 -2.944 1.00 0.00 H new ATOM 351 N THR A 29 0.123 -6.055 -5.727 1.00 0.00 N ATOM 352 CA THR A 29 0.447 -4.721 -6.214 1.00 0.00 C ATOM 353 C THR A 29 -0.328 -3.653 -5.450 1.00 0.00 C ATOM 354 O THR A 29 -1.557 -3.602 -5.508 1.00 0.00 O ATOM 355 CB THR A 29 0.142 -4.582 -7.718 1.00 0.00 C ATOM 356 OG1 THR A 29 0.891 -5.551 -8.460 1.00 0.00 O ATOM 357 CG2 THR A 29 0.483 -3.184 -8.212 1.00 0.00 C ATOM 0 H THR A 29 -0.867 -6.295 -5.781 1.00 0.00 H new ATOM 0 HA THR A 29 1.515 -4.577 -6.052 1.00 0.00 H new ATOM 0 HB THR A 29 -0.924 -4.753 -7.868 1.00 0.00 H new ATOM 0 HG1 THR A 29 0.691 -5.458 -9.415 1.00 0.00 H new ATOM 0 HG21 THR A 29 0.259 -3.110 -9.276 1.00 0.00 H new ATOM 0 HG22 THR A 29 -0.109 -2.450 -7.665 1.00 0.00 H new ATOM 0 HG23 THR A 29 1.543 -2.989 -8.050 1.00 0.00 H new ATOM 365 N LEU A 30 0.397 -2.801 -4.733 1.00 0.00 N ATOM 366 CA LEU A 30 -0.223 -1.733 -3.957 1.00 0.00 C ATOM 367 C LEU A 30 -0.092 -0.393 -4.674 1.00 0.00 C ATOM 368 O LEU A 30 0.998 0.173 -4.761 1.00 0.00 O ATOM 369 CB LEU A 30 0.416 -1.647 -2.570 1.00 0.00 C ATOM 370 CG LEU A 30 0.256 -2.880 -1.680 1.00 0.00 C ATOM 371 CD1 LEU A 30 1.429 -3.829 -1.867 1.00 0.00 C ATOM 372 CD2 LEU A 30 0.127 -2.471 -0.220 1.00 0.00 C ATOM 0 H LEU A 30 1.415 -2.829 -4.673 1.00 0.00 H new ATOM 0 HA LEU A 30 -1.283 -1.964 -3.848 1.00 0.00 H new ATOM 0 HB2 LEU A 30 1.481 -1.449 -2.694 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -0.009 -0.789 -2.049 1.00 0.00 H new ATOM 0 HG LEU A 30 -0.656 -3.400 -1.973 1.00 0.00 H new ATOM 0 HD11 LEU A 30 1.298 -4.701 -1.226 1.00 0.00 H new ATOM 0 HD12 LEU A 30 1.476 -4.148 -2.908 1.00 0.00 H new ATOM 0 HD13 LEU A 30 2.355 -3.319 -1.601 1.00 0.00 H new ATOM 0 HD21 LEU A 30 0.014 -3.361 0.399 1.00 0.00 H new ATOM 0 HD22 LEU A 30 1.021 -1.928 0.086 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -0.747 -1.831 -0.097 1.00 0.00 H new ATOM 384 N THR A 31 -1.211 0.111 -5.184 1.00 0.00 N ATOM 385 CA THR A 31 -1.222 1.385 -5.892 1.00 0.00 C ATOM 386 C THR A 31 -1.771 2.500 -5.008 1.00 0.00 C ATOM 387 O THR A 31 -2.844 2.368 -4.418 1.00 0.00 O ATOM 388 CB THR A 31 -2.064 1.305 -7.179 1.00 0.00 C ATOM 389 OG1 THR A 31 -1.833 0.055 -7.838 1.00 0.00 O ATOM 390 CG2 THR A 31 -1.723 2.451 -8.120 1.00 0.00 C ATOM 0 H THR A 31 -2.122 -0.344 -5.120 1.00 0.00 H new ATOM 0 HA THR A 31 -0.188 1.609 -6.156 1.00 0.00 H new ATOM 0 HB THR A 31 -3.116 1.382 -6.905 1.00 0.00 H new ATOM 0 HG1 THR A 31 -2.373 0.011 -8.654 1.00 0.00 H new ATOM 0 HG21 THR A 31 -2.330 2.374 -9.022 1.00 0.00 H new ATOM 0 HG22 THR A 31 -1.927 3.401 -7.626 1.00 0.00 H new ATOM 0 HG23 THR A 31 -0.668 2.400 -8.387 1.00 0.00 H new ATOM 398 N CYS A 32 -1.029 3.599 -4.922 1.00 0.00 N ATOM 399 CA CYS A 32 -1.440 4.738 -4.110 1.00 0.00 C ATOM 400 C CYS A 32 -1.576 5.995 -4.966 1.00 0.00 C ATOM 401 O CYS A 32 -1.080 7.061 -4.603 1.00 0.00 O ATOM 402 CB CYS A 32 -0.432 4.981 -2.985 1.00 0.00 C ATOM 403 SG CYS A 32 -1.121 5.860 -1.547 1.00 0.00 S ATOM 0 H CYS A 32 -0.139 3.725 -5.405 1.00 0.00 H new ATOM 0 HA CYS A 32 -2.412 4.509 -3.674 1.00 0.00 H new ATOM 0 HB2 CYS A 32 -0.034 4.021 -2.654 1.00 0.00 H new ATOM 0 HB3 CYS A 32 0.406 5.554 -3.380 1.00 0.00 H new ATOM 408 N GLU A 33 -2.252 5.859 -6.103 1.00 0.00 N ATOM 409 CA GLU A 33 -2.452 6.984 -7.010 1.00 0.00 C ATOM 410 C GLU A 33 -2.946 8.213 -6.252 1.00 0.00 C ATOM 411 O GLU A 33 -3.510 8.099 -5.164 1.00 0.00 O ATOM 412 CB GLU A 33 -3.451 6.611 -8.107 1.00 0.00 C ATOM 413 CG GLU A 33 -2.828 5.851 -9.266 1.00 0.00 C ATOM 414 CD GLU A 33 -3.810 5.597 -10.393 1.00 0.00 C ATOM 415 OE1 GLU A 33 -4.009 6.508 -11.223 1.00 0.00 O ATOM 416 OE2 GLU A 33 -4.379 4.487 -10.443 1.00 0.00 O ATOM 0 H GLU A 33 -2.670 4.983 -6.417 1.00 0.00 H new ATOM 0 HA GLU A 33 -1.493 7.224 -7.469 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -4.246 6.005 -7.672 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -3.916 7.520 -8.488 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -1.978 6.415 -9.650 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -2.441 4.898 -8.905 1.00 0.00 H new ATOM 423 N VAL A 34 -2.731 9.387 -6.836 1.00 0.00 N ATOM 424 CA VAL A 34 -3.154 10.638 -6.218 1.00 0.00 C ATOM 425 C VAL A 34 -4.045 11.441 -7.159 1.00 0.00 C ATOM 426 O VAL A 34 -3.749 11.610 -8.342 1.00 0.00 O ATOM 427 CB VAL A 34 -1.945 11.500 -5.812 1.00 0.00 C ATOM 428 CG1 VAL A 34 -2.355 12.958 -5.661 1.00 0.00 C ATOM 429 CG2 VAL A 34 -1.326 10.977 -4.525 1.00 0.00 C ATOM 0 H VAL A 34 -2.266 9.498 -7.737 1.00 0.00 H new ATOM 0 HA VAL A 34 -3.719 10.375 -5.324 1.00 0.00 H new ATOM 0 HB VAL A 34 -1.195 11.437 -6.601 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -1.487 13.552 -5.374 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -2.749 13.325 -6.609 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -3.123 13.042 -4.892 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -0.473 11.598 -4.253 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -2.067 11.008 -3.726 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -0.994 9.949 -4.672 1.00 0.00 H new ATOM 439 N PRO A 35 -5.164 11.951 -6.622 1.00 0.00 N ATOM 440 CA PRO A 35 -6.121 12.748 -7.396 1.00 0.00 C ATOM 441 C PRO A 35 -5.563 14.115 -7.777 1.00 0.00 C ATOM 442 O PRO A 35 -5.585 14.501 -8.945 1.00 0.00 O ATOM 443 CB PRO A 35 -7.308 12.901 -6.441 1.00 0.00 C ATOM 444 CG PRO A 35 -6.719 12.762 -5.080 1.00 0.00 C ATOM 445 CD PRO A 35 -5.580 11.790 -5.219 1.00 0.00 C ATOM 0 HA PRO A 35 -6.377 12.272 -8.343 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -7.794 13.869 -6.565 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -8.065 12.138 -6.625 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -6.368 13.724 -4.707 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -7.460 12.396 -4.370 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -4.768 12.021 -4.530 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -5.896 10.768 -5.008 1.00 0.00 H new ATOM 453 N ALA A 36 -5.064 14.843 -6.784 1.00 0.00 N ATOM 454 CA ALA A 36 -4.498 16.166 -7.016 1.00 0.00 C ATOM 455 C ALA A 36 -3.153 16.071 -7.727 1.00 0.00 C ATOM 456 O ALA A 36 -3.015 16.497 -8.873 1.00 0.00 O ATOM 457 CB ALA A 36 -4.350 16.915 -5.700 1.00 0.00 C ATOM 0 H ALA A 36 -5.040 14.539 -5.811 1.00 0.00 H new ATOM 0 HA ALA A 36 -5.182 16.718 -7.661 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -3.926 17.901 -5.888 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -5.328 17.024 -5.231 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -3.690 16.357 -5.036 1.00 0.00 H new ATOM 463 N GLN A 37 -2.163 15.510 -7.039 1.00 0.00 N ATOM 464 CA GLN A 37 -0.828 15.361 -7.605 1.00 0.00 C ATOM 465 C GLN A 37 -0.801 14.251 -8.651 1.00 0.00 C ATOM 466 O GLN A 37 -1.230 13.123 -8.406 1.00 0.00 O ATOM 467 CB GLN A 37 0.187 15.062 -6.501 1.00 0.00 C ATOM 468 CG GLN A 37 1.568 15.636 -6.773 1.00 0.00 C ATOM 469 CD GLN A 37 1.519 17.075 -7.247 1.00 0.00 C ATOM 470 OE1 GLN A 37 2.234 17.460 -8.173 1.00 0.00 O ATOM 471 NE2 GLN A 37 0.673 17.879 -6.613 1.00 0.00 N ATOM 0 H GLN A 37 -2.261 15.151 -6.089 1.00 0.00 H new ATOM 0 HA GLN A 37 -0.560 16.299 -8.090 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -0.185 15.463 -5.558 1.00 0.00 H new ATOM 0 HB3 GLN A 37 0.269 13.982 -6.377 1.00 0.00 H new ATOM 0 HG2 GLN A 37 2.167 15.577 -5.864 1.00 0.00 H new ATOM 0 HG3 GLN A 37 2.069 15.027 -7.525 1.00 0.00 H new ATOM 0 HE21 GLN A 37 0.100 17.517 -5.851 1.00 0.00 H new ATOM 0 HE22 GLN A 37 0.597 18.858 -6.888 1.00 0.00 H new ATOM 480 N PRO A 38 -0.286 14.575 -9.846 1.00 0.00 N ATOM 481 CA PRO A 38 -0.191 13.619 -10.953 1.00 0.00 C ATOM 482 C PRO A 38 0.845 12.531 -10.692 1.00 0.00 C ATOM 483 O PRO A 38 0.553 11.341 -10.808 1.00 0.00 O ATOM 484 CB PRO A 38 0.234 14.489 -12.138 1.00 0.00 C ATOM 485 CG PRO A 38 0.932 15.653 -11.523 1.00 0.00 C ATOM 486 CD PRO A 38 0.244 15.900 -10.209 1.00 0.00 C ATOM 0 HA PRO A 38 -1.128 13.086 -11.113 1.00 0.00 H new ATOM 0 HB2 PRO A 38 0.893 13.944 -12.813 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -0.628 14.809 -12.724 1.00 0.00 H new ATOM 0 HG2 PRO A 38 1.991 15.440 -11.375 1.00 0.00 H new ATOM 0 HG3 PRO A 38 0.870 16.530 -12.167 1.00 0.00 H new ATOM 0 HD2 PRO A 38 0.938 16.275 -9.457 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -0.552 16.639 -10.305 1.00 0.00 H new ATOM 494 N SER A 39 2.057 12.947 -10.338 1.00 0.00 N ATOM 495 CA SER A 39 3.138 12.008 -10.064 1.00 0.00 C ATOM 496 C SER A 39 3.879 12.391 -8.786 1.00 0.00 C ATOM 497 O SER A 39 5.061 12.735 -8.804 1.00 0.00 O ATOM 498 CB SER A 39 4.115 11.964 -11.240 1.00 0.00 C ATOM 499 OG SER A 39 3.497 11.425 -12.396 1.00 0.00 O ATOM 0 H SER A 39 2.315 13.928 -10.234 1.00 0.00 H new ATOM 0 HA SER A 39 2.701 11.019 -9.928 1.00 0.00 H new ATOM 0 HB2 SER A 39 4.478 12.969 -11.453 1.00 0.00 H new ATOM 0 HB3 SER A 39 4.983 11.361 -10.973 1.00 0.00 H new ATOM 0 HG SER A 39 4.141 11.409 -13.134 1.00 0.00 H new ATOM 505 N PRO A 40 3.169 12.330 -7.650 1.00 0.00 N ATOM 506 CA PRO A 40 3.739 12.666 -6.342 1.00 0.00 C ATOM 507 C PRO A 40 4.762 11.637 -5.873 1.00 0.00 C ATOM 508 O PRO A 40 5.130 10.731 -6.620 1.00 0.00 O ATOM 509 CB PRO A 40 2.521 12.669 -5.415 1.00 0.00 C ATOM 510 CG PRO A 40 1.539 11.764 -6.076 1.00 0.00 C ATOM 511 CD PRO A 40 1.756 11.927 -7.555 1.00 0.00 C ATOM 0 HA PRO A 40 4.278 13.613 -6.364 1.00 0.00 H new ATOM 0 HB2 PRO A 40 2.781 12.311 -4.419 1.00 0.00 H new ATOM 0 HB3 PRO A 40 2.116 13.674 -5.297 1.00 0.00 H new ATOM 0 HG2 PRO A 40 1.695 10.729 -5.770 1.00 0.00 H new ATOM 0 HG3 PRO A 40 0.518 12.028 -5.800 1.00 0.00 H new ATOM 0 HD2 PRO A 40 1.566 10.999 -8.094 1.00 0.00 H new ATOM 0 HD3 PRO A 40 1.093 12.682 -7.978 1.00 0.00 H new ATOM 519 N GLN A 41 5.216 11.783 -4.633 1.00 0.00 N ATOM 520 CA GLN A 41 6.197 10.865 -4.066 1.00 0.00 C ATOM 521 C GLN A 41 5.540 9.910 -3.075 1.00 0.00 C ATOM 522 O GLN A 41 5.058 10.328 -2.021 1.00 0.00 O ATOM 523 CB GLN A 41 7.317 11.645 -3.374 1.00 0.00 C ATOM 524 CG GLN A 41 8.116 12.528 -4.319 1.00 0.00 C ATOM 525 CD GLN A 41 8.924 11.728 -5.322 1.00 0.00 C ATOM 526 OE1 GLN A 41 9.460 10.667 -5.000 1.00 0.00 O ATOM 527 NE2 GLN A 41 9.014 12.232 -6.547 1.00 0.00 N ATOM 0 H GLN A 41 4.921 12.528 -4.002 1.00 0.00 H new ATOM 0 HA GLN A 41 6.622 10.279 -4.881 1.00 0.00 H new ATOM 0 HB2 GLN A 41 6.885 12.265 -2.588 1.00 0.00 H new ATOM 0 HB3 GLN A 41 7.993 10.941 -2.889 1.00 0.00 H new ATOM 0 HG2 GLN A 41 7.436 13.191 -4.853 1.00 0.00 H new ATOM 0 HG3 GLN A 41 8.788 13.160 -3.739 1.00 0.00 H new ATOM 0 HE21 GLN A 41 8.554 13.114 -6.770 1.00 0.00 H new ATOM 0 HE22 GLN A 41 9.543 11.737 -7.265 1.00 0.00 H new ATOM 536 N ILE A 42 5.523 8.627 -3.419 1.00 0.00 N ATOM 537 CA ILE A 42 4.926 7.613 -2.559 1.00 0.00 C ATOM 538 C ILE A 42 5.997 6.753 -1.898 1.00 0.00 C ATOM 539 O ILE A 42 6.824 6.142 -2.576 1.00 0.00 O ATOM 540 CB ILE A 42 3.965 6.703 -3.346 1.00 0.00 C ATOM 541 CG1 ILE A 42 2.800 7.519 -3.910 1.00 0.00 C ATOM 542 CG2 ILE A 42 3.451 5.580 -2.457 1.00 0.00 C ATOM 543 CD1 ILE A 42 3.140 8.256 -5.186 1.00 0.00 C ATOM 0 H ILE A 42 5.916 8.265 -4.288 1.00 0.00 H new ATOM 0 HA ILE A 42 4.364 8.142 -1.790 1.00 0.00 H new ATOM 0 HB ILE A 42 4.510 6.260 -4.180 1.00 0.00 H new ATOM 0 HG12 ILE A 42 1.958 6.853 -4.098 1.00 0.00 H new ATOM 0 HG13 ILE A 42 2.475 8.240 -3.160 1.00 0.00 H new ATOM 0 HG21 ILE A 42 2.773 4.945 -3.028 1.00 0.00 H new ATOM 0 HG22 ILE A 42 4.291 4.985 -2.100 1.00 0.00 H new ATOM 0 HG23 ILE A 42 2.920 6.004 -1.605 1.00 0.00 H new ATOM 0 HD11 ILE A 42 2.268 8.813 -5.528 1.00 0.00 H new ATOM 0 HD12 ILE A 42 3.961 8.948 -4.999 1.00 0.00 H new ATOM 0 HD13 ILE A 42 3.436 7.540 -5.952 1.00 0.00 H new ATOM 555 N HIS A 43 5.975 6.706 -0.570 1.00 0.00 N ATOM 556 CA HIS A 43 6.943 5.918 0.184 1.00 0.00 C ATOM 557 C HIS A 43 6.267 4.727 0.857 1.00 0.00 C ATOM 558 O HIS A 43 5.207 4.866 1.468 1.00 0.00 O ATOM 559 CB HIS A 43 7.633 6.788 1.235 1.00 0.00 C ATOM 560 CG HIS A 43 8.734 7.638 0.679 1.00 0.00 C ATOM 561 ND1 HIS A 43 8.506 8.815 -0.003 1.00 0.00 N ATOM 562 CD2 HIS A 43 10.078 7.476 0.708 1.00 0.00 C ATOM 563 CE1 HIS A 43 9.661 9.339 -0.370 1.00 0.00 C ATOM 564 NE2 HIS A 43 10.631 8.547 0.049 1.00 0.00 N ATOM 0 H HIS A 43 5.297 7.205 0.006 1.00 0.00 H new ATOM 0 HA HIS A 43 7.691 5.543 -0.514 1.00 0.00 H new ATOM 0 HB2 HIS A 43 6.890 7.432 1.706 1.00 0.00 H new ATOM 0 HB3 HIS A 43 8.040 6.146 2.016 1.00 0.00 H new ATOM 0 HD2 HIS A 43 10.615 6.657 1.164 1.00 0.00 H new ATOM 0 HE1 HIS A 43 9.790 10.260 -0.920 1.00 0.00 H new ATOM 0 HE2 HIS A 43 11.629 8.705 -0.093 1.00 0.00 H new ATOM 573 N TRP A 44 6.886 3.558 0.740 1.00 0.00 N ATOM 574 CA TRP A 44 6.344 2.343 1.337 1.00 0.00 C ATOM 575 C TRP A 44 7.041 2.025 2.655 1.00 0.00 C ATOM 576 O TRP A 44 8.269 1.985 2.724 1.00 0.00 O ATOM 577 CB TRP A 44 6.492 1.166 0.371 1.00 0.00 C ATOM 578 CG TRP A 44 5.849 1.406 -0.961 1.00 0.00 C ATOM 579 CD1 TRP A 44 6.484 1.668 -2.142 1.00 0.00 C ATOM 580 CD2 TRP A 44 4.446 1.410 -1.248 1.00 0.00 C ATOM 581 NE1 TRP A 44 5.560 1.834 -3.145 1.00 0.00 N ATOM 582 CE2 TRP A 44 4.303 1.679 -2.623 1.00 0.00 C ATOM 583 CE3 TRP A 44 3.298 1.209 -0.478 1.00 0.00 C ATOM 584 CZ2 TRP A 44 3.057 1.754 -3.241 1.00 0.00 C ATOM 585 CZ3 TRP A 44 2.062 1.284 -1.092 1.00 0.00 C ATOM 586 CH2 TRP A 44 1.950 1.554 -2.462 1.00 0.00 C ATOM 0 H TRP A 44 7.764 3.426 0.237 1.00 0.00 H new ATOM 0 HA TRP A 44 5.286 2.509 1.539 1.00 0.00 H new ATOM 0 HB2 TRP A 44 7.552 0.958 0.223 1.00 0.00 H new ATOM 0 HB3 TRP A 44 6.053 0.277 0.823 1.00 0.00 H new ATOM 0 HD1 TRP A 44 7.554 1.735 -2.268 1.00 0.00 H new ATOM 0 HE1 TRP A 44 5.775 2.039 -4.121 1.00 0.00 H new ATOM 0 HE3 TRP A 44 3.375 0.999 0.579 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 2.968 1.962 -4.297 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 1.168 1.132 -0.506 1.00 0.00 H new ATOM 0 HH2 TRP A 44 0.970 1.605 -2.913 1.00 0.00 H new ATOM 597 N MET A 45 6.250 1.801 3.699 1.00 0.00 N ATOM 598 CA MET A 45 6.793 1.485 5.015 1.00 0.00 C ATOM 599 C MET A 45 6.122 0.245 5.597 1.00 0.00 C ATOM 600 O MET A 45 4.955 -0.030 5.320 1.00 0.00 O ATOM 601 CB MET A 45 6.610 2.672 5.964 1.00 0.00 C ATOM 602 CG MET A 45 7.074 3.995 5.378 1.00 0.00 C ATOM 603 SD MET A 45 6.939 5.359 6.551 1.00 0.00 S ATOM 604 CE MET A 45 7.930 4.738 7.907 1.00 0.00 C ATOM 0 H MET A 45 5.231 1.832 3.659 1.00 0.00 H new ATOM 0 HA MET A 45 7.858 1.280 4.902 1.00 0.00 H new ATOM 0 HB2 MET A 45 5.557 2.753 6.233 1.00 0.00 H new ATOM 0 HB3 MET A 45 7.160 2.479 6.885 1.00 0.00 H new ATOM 0 HG2 MET A 45 8.110 3.901 5.054 1.00 0.00 H new ATOM 0 HG3 MET A 45 6.482 4.223 4.492 1.00 0.00 H new ATOM 0 HE1 MET A 45 8.255 5.570 8.531 1.00 0.00 H new ATOM 0 HE2 MET A 45 7.336 4.047 8.505 1.00 0.00 H new ATOM 0 HE3 MET A 45 8.803 4.218 7.512 1.00 0.00 H new ATOM 614 N LYS A 46 6.868 -0.501 6.406 1.00 0.00 N ATOM 615 CA LYS A 46 6.345 -1.711 7.028 1.00 0.00 C ATOM 616 C LYS A 46 6.448 -1.630 8.548 1.00 0.00 C ATOM 617 O LYS A 46 7.543 -1.681 9.109 1.00 0.00 O ATOM 618 CB LYS A 46 7.105 -2.939 6.521 1.00 0.00 C ATOM 619 CG LYS A 46 6.501 -4.258 6.972 1.00 0.00 C ATOM 620 CD LYS A 46 7.367 -5.437 6.563 1.00 0.00 C ATOM 621 CE LYS A 46 6.963 -6.707 7.296 1.00 0.00 C ATOM 622 NZ LYS A 46 8.108 -7.647 7.450 1.00 0.00 N ATOM 0 H LYS A 46 7.836 -0.288 6.646 1.00 0.00 H new ATOM 0 HA LYS A 46 5.293 -1.803 6.756 1.00 0.00 H new ATOM 0 HB2 LYS A 46 7.132 -2.915 5.432 1.00 0.00 H new ATOM 0 HB3 LYS A 46 8.137 -2.885 6.866 1.00 0.00 H new ATOM 0 HG2 LYS A 46 6.381 -4.252 8.055 1.00 0.00 H new ATOM 0 HG3 LYS A 46 5.506 -4.370 6.541 1.00 0.00 H new ATOM 0 HD2 LYS A 46 7.284 -5.595 5.488 1.00 0.00 H new ATOM 0 HD3 LYS A 46 8.413 -5.212 6.773 1.00 0.00 H new ATOM 0 HE2 LYS A 46 6.570 -6.449 8.279 1.00 0.00 H new ATOM 0 HE3 LYS A 46 6.159 -7.201 6.751 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 7.809 -8.606 7.180 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 8.891 -7.343 6.837 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 8.424 -7.649 8.441 1.00 0.00 H new ATOM 636 N ASP A 47 5.302 -1.503 9.208 1.00 0.00 N ATOM 637 CA ASP A 47 5.264 -1.417 10.663 1.00 0.00 C ATOM 638 C ASP A 47 6.039 -0.199 11.156 1.00 0.00 C ATOM 639 O ASP A 47 6.792 -0.281 12.126 1.00 0.00 O ATOM 640 CB ASP A 47 5.839 -2.690 11.286 1.00 0.00 C ATOM 641 CG ASP A 47 4.934 -3.890 11.092 1.00 0.00 C ATOM 642 OD1 ASP A 47 3.998 -4.065 11.900 1.00 0.00 O ATOM 643 OD2 ASP A 47 5.161 -4.654 10.131 1.00 0.00 O ATOM 0 H ASP A 47 4.387 -1.457 8.759 1.00 0.00 H new ATOM 0 HA ASP A 47 4.223 -1.311 10.969 1.00 0.00 H new ATOM 0 HB2 ASP A 47 6.814 -2.899 10.845 1.00 0.00 H new ATOM 0 HB3 ASP A 47 6.000 -2.529 12.352 1.00 0.00 H new ATOM 648 N GLY A 48 5.849 0.930 10.481 1.00 0.00 N ATOM 649 CA GLY A 48 6.538 2.149 10.864 1.00 0.00 C ATOM 650 C GLY A 48 8.023 2.095 10.562 1.00 0.00 C ATOM 651 O GLY A 48 8.832 2.681 11.281 1.00 0.00 O ATOM 0 H GLY A 48 5.230 1.023 9.675 1.00 0.00 H new ATOM 0 HA2 GLY A 48 6.094 2.994 10.338 1.00 0.00 H new ATOM 0 HA3 GLY A 48 6.393 2.325 11.930 1.00 0.00 H new ATOM 655 N VAL A 49 8.383 1.388 9.495 1.00 0.00 N ATOM 656 CA VAL A 49 9.780 1.259 9.099 1.00 0.00 C ATOM 657 C VAL A 49 9.944 1.443 7.594 1.00 0.00 C ATOM 658 O VAL A 49 9.330 0.744 6.788 1.00 0.00 O ATOM 659 CB VAL A 49 10.354 -0.111 9.503 1.00 0.00 C ATOM 660 CG1 VAL A 49 11.735 -0.312 8.899 1.00 0.00 C ATOM 661 CG2 VAL A 49 10.401 -0.243 11.018 1.00 0.00 C ATOM 0 H VAL A 49 7.726 0.896 8.890 1.00 0.00 H new ATOM 0 HA VAL A 49 10.330 2.043 9.620 1.00 0.00 H new ATOM 0 HB VAL A 49 9.698 -0.889 9.113 1.00 0.00 H new ATOM 0 HG11 VAL A 49 12.124 -1.286 9.196 1.00 0.00 H new ATOM 0 HG12 VAL A 49 11.667 -0.264 7.812 1.00 0.00 H new ATOM 0 HG13 VAL A 49 12.405 0.470 9.255 1.00 0.00 H new ATOM 0 HG21 VAL A 49 10.809 -1.217 11.286 1.00 0.00 H new ATOM 0 HG22 VAL A 49 11.034 0.542 11.432 1.00 0.00 H new ATOM 0 HG23 VAL A 49 9.393 -0.148 11.423 1.00 0.00 H new ATOM 671 N PRO A 50 10.793 2.406 7.205 1.00 0.00 N ATOM 672 CA PRO A 50 11.059 2.703 5.795 1.00 0.00 C ATOM 673 C PRO A 50 11.848 1.594 5.107 1.00 0.00 C ATOM 674 O PRO A 50 13.048 1.438 5.335 1.00 0.00 O ATOM 675 CB PRO A 50 11.886 3.990 5.854 1.00 0.00 C ATOM 676 CG PRO A 50 12.534 3.963 7.195 1.00 0.00 C ATOM 677 CD PRO A 50 11.559 3.278 8.112 1.00 0.00 C ATOM 0 HA PRO A 50 10.139 2.797 5.218 1.00 0.00 H new ATOM 0 HB2 PRO A 50 12.628 4.021 5.056 1.00 0.00 H new ATOM 0 HB3 PRO A 50 11.256 4.871 5.737 1.00 0.00 H new ATOM 0 HG2 PRO A 50 13.481 3.425 7.160 1.00 0.00 H new ATOM 0 HG3 PRO A 50 12.754 4.972 7.543 1.00 0.00 H new ATOM 0 HD2 PRO A 50 12.070 2.704 8.885 1.00 0.00 H new ATOM 0 HD3 PRO A 50 10.914 3.995 8.621 1.00 0.00 H new ATOM 685 N LEU A 51 11.167 0.826 4.264 1.00 0.00 N ATOM 686 CA LEU A 51 11.804 -0.269 3.541 1.00 0.00 C ATOM 687 C LEU A 51 12.715 0.262 2.439 1.00 0.00 C ATOM 688 O LEU A 51 12.427 1.271 1.795 1.00 0.00 O ATOM 689 CB LEU A 51 10.745 -1.195 2.941 1.00 0.00 C ATOM 690 CG LEU A 51 9.731 -1.782 3.924 1.00 0.00 C ATOM 691 CD1 LEU A 51 8.426 -2.107 3.215 1.00 0.00 C ATOM 692 CD2 LEU A 51 10.298 -3.024 4.596 1.00 0.00 C ATOM 0 H LEU A 51 10.173 0.941 4.064 1.00 0.00 H new ATOM 0 HA LEU A 51 12.412 -0.833 4.249 1.00 0.00 H new ATOM 0 HB2 LEU A 51 10.201 -0.643 2.175 1.00 0.00 H new ATOM 0 HB3 LEU A 51 11.253 -2.019 2.440 1.00 0.00 H new ATOM 0 HG LEU A 51 9.527 -1.037 4.693 1.00 0.00 H new ATOM 0 HD11 LEU A 51 7.717 -2.524 3.931 1.00 0.00 H new ATOM 0 HD12 LEU A 51 8.011 -1.197 2.781 1.00 0.00 H new ATOM 0 HD13 LEU A 51 8.613 -2.834 2.424 1.00 0.00 H new ATOM 0 HD21 LEU A 51 9.563 -3.429 5.292 1.00 0.00 H new ATOM 0 HD22 LEU A 51 10.531 -3.773 3.839 1.00 0.00 H new ATOM 0 HD23 LEU A 51 11.206 -2.762 5.139 1.00 0.00 H new ATOM 704 N PRO A 52 13.840 -0.432 2.215 1.00 0.00 N ATOM 705 CA PRO A 52 14.815 -0.051 1.189 1.00 0.00 C ATOM 706 C PRO A 52 14.283 -0.266 -0.224 1.00 0.00 C ATOM 707 O PRO A 52 14.579 -1.278 -0.862 1.00 0.00 O ATOM 708 CB PRO A 52 16.000 -0.980 1.462 1.00 0.00 C ATOM 709 CG PRO A 52 15.403 -2.166 2.138 1.00 0.00 C ATOM 710 CD PRO A 52 14.247 -1.644 2.945 1.00 0.00 C ATOM 0 HA PRO A 52 15.067 1.008 1.240 1.00 0.00 H new ATOM 0 HB2 PRO A 52 16.503 -1.263 0.537 1.00 0.00 H new ATOM 0 HB3 PRO A 52 16.745 -0.497 2.095 1.00 0.00 H new ATOM 0 HG2 PRO A 52 15.068 -2.904 1.409 1.00 0.00 H new ATOM 0 HG3 PRO A 52 16.134 -2.660 2.778 1.00 0.00 H new ATOM 0 HD2 PRO A 52 13.436 -2.370 3.001 1.00 0.00 H new ATOM 0 HD3 PRO A 52 14.543 -1.416 3.969 1.00 0.00 H new ATOM 718 N LEU A 53 13.498 0.689 -0.708 1.00 0.00 N ATOM 719 CA LEU A 53 12.925 0.604 -2.047 1.00 0.00 C ATOM 720 C LEU A 53 12.662 1.995 -2.617 1.00 0.00 C ATOM 721 O LEU A 53 12.497 2.971 -1.885 1.00 0.00 O ATOM 722 CB LEU A 53 11.625 -0.201 -2.017 1.00 0.00 C ATOM 723 CG LEU A 53 11.778 -1.721 -1.957 1.00 0.00 C ATOM 724 CD1 LEU A 53 10.459 -2.377 -1.579 1.00 0.00 C ATOM 725 CD2 LEU A 53 12.281 -2.260 -3.289 1.00 0.00 C ATOM 0 H LEU A 53 13.243 1.532 -0.193 1.00 0.00 H new ATOM 0 HA LEU A 53 13.644 0.098 -2.691 1.00 0.00 H new ATOM 0 HB2 LEU A 53 11.042 0.120 -1.153 1.00 0.00 H new ATOM 0 HB3 LEU A 53 11.045 0.051 -2.905 1.00 0.00 H new ATOM 0 HG LEU A 53 12.513 -1.962 -1.189 1.00 0.00 H new ATOM 0 HD11 LEU A 53 10.588 -3.459 -1.541 1.00 0.00 H new ATOM 0 HD12 LEU A 53 10.140 -2.016 -0.601 1.00 0.00 H new ATOM 0 HD13 LEU A 53 9.702 -2.128 -2.323 1.00 0.00 H new ATOM 0 HD21 LEU A 53 12.384 -3.343 -3.228 1.00 0.00 H new ATOM 0 HD22 LEU A 53 11.570 -2.007 -4.076 1.00 0.00 H new ATOM 0 HD23 LEU A 53 13.250 -1.816 -3.519 1.00 0.00 H new ATOM 737 N PRO A 54 12.620 2.088 -3.954 1.00 0.00 N ATOM 738 CA PRO A 54 12.374 3.354 -4.651 1.00 0.00 C ATOM 739 C PRO A 54 10.942 3.846 -4.474 1.00 0.00 C ATOM 740 O PRO A 54 9.983 3.078 -4.551 1.00 0.00 O ATOM 741 CB PRO A 54 12.643 3.009 -6.118 1.00 0.00 C ATOM 742 CG PRO A 54 12.395 1.543 -6.214 1.00 0.00 C ATOM 743 CD PRO A 54 12.808 0.966 -4.888 1.00 0.00 C ATOM 0 HA PRO A 54 13.000 4.159 -4.266 1.00 0.00 H new ATOM 0 HB2 PRO A 54 11.984 3.566 -6.783 1.00 0.00 H new ATOM 0 HB3 PRO A 54 13.666 3.257 -6.402 1.00 0.00 H new ATOM 0 HG2 PRO A 54 11.344 1.337 -6.419 1.00 0.00 H new ATOM 0 HG3 PRO A 54 12.971 1.102 -7.028 1.00 0.00 H new ATOM 0 HD2 PRO A 54 12.194 0.108 -4.614 1.00 0.00 H new ATOM 0 HD3 PRO A 54 13.843 0.625 -4.903 1.00 0.00 H new ATOM 751 N PRO A 55 10.791 5.156 -4.230 1.00 0.00 N ATOM 752 CA PRO A 55 9.478 5.779 -4.037 1.00 0.00 C ATOM 753 C PRO A 55 8.663 5.825 -5.325 1.00 0.00 C ATOM 754 O PRO A 55 8.779 6.765 -6.111 1.00 0.00 O ATOM 755 CB PRO A 55 9.823 7.196 -3.572 1.00 0.00 C ATOM 756 CG PRO A 55 11.181 7.456 -4.125 1.00 0.00 C ATOM 757 CD PRO A 55 11.890 6.130 -4.124 1.00 0.00 C ATOM 0 HA PRO A 55 8.862 5.222 -3.331 1.00 0.00 H new ATOM 0 HB2 PRO A 55 9.099 7.922 -3.943 1.00 0.00 H new ATOM 0 HB3 PRO A 55 9.818 7.268 -2.484 1.00 0.00 H new ATOM 0 HG2 PRO A 55 11.120 7.865 -5.134 1.00 0.00 H new ATOM 0 HG3 PRO A 55 11.717 8.185 -3.517 1.00 0.00 H new ATOM 0 HD2 PRO A 55 12.584 6.045 -4.960 1.00 0.00 H new ATOM 0 HD3 PRO A 55 12.469 5.985 -3.212 1.00 0.00 H new ATOM 765 N SER A 56 7.838 4.804 -5.535 1.00 0.00 N ATOM 766 CA SER A 56 7.007 4.726 -6.730 1.00 0.00 C ATOM 767 C SER A 56 5.531 4.620 -6.359 1.00 0.00 C ATOM 768 O SER A 56 5.167 4.136 -5.286 1.00 0.00 O ATOM 769 CB SER A 56 7.416 3.526 -7.586 1.00 0.00 C ATOM 770 OG SER A 56 7.747 2.411 -6.776 1.00 0.00 O ATOM 0 H SER A 56 7.728 4.019 -4.893 1.00 0.00 H new ATOM 0 HA SER A 56 7.155 5.640 -7.305 1.00 0.00 H new ATOM 0 HB2 SER A 56 6.601 3.261 -8.259 1.00 0.00 H new ATOM 0 HB3 SER A 56 8.270 3.793 -8.209 1.00 0.00 H new ATOM 0 HG SER A 56 7.044 1.732 -6.851 1.00 0.00 H new ATOM 776 N PRO A 57 4.658 5.083 -7.266 1.00 0.00 N ATOM 777 CA PRO A 57 3.208 5.051 -7.058 1.00 0.00 C ATOM 778 C PRO A 57 2.647 3.634 -7.098 1.00 0.00 C ATOM 779 O PRO A 57 1.475 3.410 -6.796 1.00 0.00 O ATOM 780 CB PRO A 57 2.663 5.875 -8.227 1.00 0.00 C ATOM 781 CG PRO A 57 3.704 5.763 -9.287 1.00 0.00 C ATOM 782 CD PRO A 57 5.021 5.673 -8.566 1.00 0.00 C ATOM 0 HA PRO A 57 2.929 5.439 -6.078 1.00 0.00 H new ATOM 0 HB2 PRO A 57 1.704 5.488 -8.571 1.00 0.00 H new ATOM 0 HB3 PRO A 57 2.502 6.914 -7.938 1.00 0.00 H new ATOM 0 HG2 PRO A 57 3.537 4.882 -9.906 1.00 0.00 H new ATOM 0 HG3 PRO A 57 3.680 6.628 -9.950 1.00 0.00 H new ATOM 0 HD2 PRO A 57 5.733 5.049 -9.106 1.00 0.00 H new ATOM 0 HD3 PRO A 57 5.482 6.653 -8.448 1.00 0.00 H new ATOM 790 N VAL A 58 3.492 2.679 -7.473 1.00 0.00 N ATOM 791 CA VAL A 58 3.082 1.282 -7.551 1.00 0.00 C ATOM 792 C VAL A 58 4.124 0.366 -6.920 1.00 0.00 C ATOM 793 O VAL A 58 5.296 0.386 -7.301 1.00 0.00 O ATOM 794 CB VAL A 58 2.847 0.847 -9.010 1.00 0.00 C ATOM 795 CG1 VAL A 58 2.427 -0.614 -9.070 1.00 0.00 C ATOM 796 CG2 VAL A 58 1.806 1.737 -9.670 1.00 0.00 C ATOM 0 H VAL A 58 4.465 2.847 -7.728 1.00 0.00 H new ATOM 0 HA VAL A 58 2.146 1.196 -6.999 1.00 0.00 H new ATOM 0 HB VAL A 58 3.783 0.954 -9.558 1.00 0.00 H new ATOM 0 HG11 VAL A 58 2.265 -0.904 -10.108 1.00 0.00 H new ATOM 0 HG12 VAL A 58 3.211 -1.236 -8.637 1.00 0.00 H new ATOM 0 HG13 VAL A 58 1.504 -0.751 -8.507 1.00 0.00 H new ATOM 0 HG21 VAL A 58 1.653 1.415 -10.700 1.00 0.00 H new ATOM 0 HG22 VAL A 58 0.866 1.664 -9.123 1.00 0.00 H new ATOM 0 HG23 VAL A 58 2.152 2.771 -9.660 1.00 0.00 H new ATOM 806 N LEU A 59 3.692 -0.437 -5.954 1.00 0.00 N ATOM 807 CA LEU A 59 4.588 -1.362 -5.269 1.00 0.00 C ATOM 808 C LEU A 59 4.224 -2.809 -5.587 1.00 0.00 C ATOM 809 O LEU A 59 3.176 -3.301 -5.168 1.00 0.00 O ATOM 810 CB LEU A 59 4.535 -1.131 -3.758 1.00 0.00 C ATOM 811 CG LEU A 59 4.828 -2.349 -2.882 1.00 0.00 C ATOM 812 CD1 LEU A 59 6.213 -2.902 -3.182 1.00 0.00 C ATOM 813 CD2 LEU A 59 4.703 -1.989 -1.409 1.00 0.00 C ATOM 0 H LEU A 59 2.726 -0.466 -5.627 1.00 0.00 H new ATOM 0 HA LEU A 59 5.602 -1.175 -5.623 1.00 0.00 H new ATOM 0 HB2 LEU A 59 5.249 -0.347 -3.505 1.00 0.00 H new ATOM 0 HB3 LEU A 59 3.544 -0.755 -3.503 1.00 0.00 H new ATOM 0 HG LEU A 59 4.094 -3.122 -3.110 1.00 0.00 H new ATOM 0 HD11 LEU A 59 6.404 -3.769 -2.549 1.00 0.00 H new ATOM 0 HD12 LEU A 59 6.267 -3.199 -4.229 1.00 0.00 H new ATOM 0 HD13 LEU A 59 6.962 -2.135 -2.983 1.00 0.00 H new ATOM 0 HD21 LEU A 59 4.915 -2.868 -0.800 1.00 0.00 H new ATOM 0 HD22 LEU A 59 5.414 -1.199 -1.166 1.00 0.00 H new ATOM 0 HD23 LEU A 59 3.690 -1.641 -1.204 1.00 0.00 H new ATOM 825 N ILE A 60 5.096 -3.484 -6.328 1.00 0.00 N ATOM 826 CA ILE A 60 4.867 -4.875 -6.699 1.00 0.00 C ATOM 827 C ILE A 60 5.716 -5.816 -5.851 1.00 0.00 C ATOM 828 O ILE A 60 6.946 -5.755 -5.878 1.00 0.00 O ATOM 829 CB ILE A 60 5.179 -5.120 -8.187 1.00 0.00 C ATOM 830 CG1 ILE A 60 4.365 -4.167 -9.065 1.00 0.00 C ATOM 831 CG2 ILE A 60 4.891 -6.567 -8.557 1.00 0.00 C ATOM 832 CD1 ILE A 60 5.046 -2.838 -9.308 1.00 0.00 C ATOM 0 H ILE A 60 5.967 -3.090 -6.683 1.00 0.00 H new ATOM 0 HA ILE A 60 3.812 -5.080 -6.520 1.00 0.00 H new ATOM 0 HB ILE A 60 6.238 -4.926 -8.358 1.00 0.00 H new ATOM 0 HG12 ILE A 60 4.170 -4.647 -10.024 1.00 0.00 H new ATOM 0 HG13 ILE A 60 3.398 -3.990 -8.595 1.00 0.00 H new ATOM 0 HG21 ILE A 60 5.116 -6.725 -9.612 1.00 0.00 H new ATOM 0 HG22 ILE A 60 5.511 -7.228 -7.951 1.00 0.00 H new ATOM 0 HG23 ILE A 60 3.839 -6.787 -8.374 1.00 0.00 H new ATOM 0 HD11 ILE A 60 4.412 -2.214 -9.938 1.00 0.00 H new ATOM 0 HD12 ILE A 60 5.217 -2.337 -8.355 1.00 0.00 H new ATOM 0 HD13 ILE A 60 6.001 -3.004 -9.807 1.00 0.00 H new ATOM 844 N LEU A 61 5.052 -6.688 -5.101 1.00 0.00 N ATOM 845 CA LEU A 61 5.745 -7.646 -4.245 1.00 0.00 C ATOM 846 C LEU A 61 5.651 -9.056 -4.819 1.00 0.00 C ATOM 847 O LEU A 61 4.846 -9.878 -4.382 1.00 0.00 O ATOM 848 CB LEU A 61 5.157 -7.617 -2.834 1.00 0.00 C ATOM 849 CG LEU A 61 5.876 -6.720 -1.825 1.00 0.00 C ATOM 850 CD1 LEU A 61 5.075 -6.617 -0.537 1.00 0.00 C ATOM 851 CD2 LEU A 61 7.275 -7.248 -1.544 1.00 0.00 C ATOM 0 H LEU A 61 4.035 -6.752 -5.068 1.00 0.00 H new ATOM 0 HA LEU A 61 6.796 -7.362 -4.200 1.00 0.00 H new ATOM 0 HB2 LEU A 61 4.118 -7.294 -2.902 1.00 0.00 H new ATOM 0 HB3 LEU A 61 5.149 -8.635 -2.444 1.00 0.00 H new ATOM 0 HG LEU A 61 5.965 -5.722 -2.254 1.00 0.00 H new ATOM 0 HD11 LEU A 61 5.602 -5.975 0.169 1.00 0.00 H new ATOM 0 HD12 LEU A 61 4.094 -6.192 -0.751 1.00 0.00 H new ATOM 0 HD13 LEU A 61 4.954 -7.610 -0.104 1.00 0.00 H new ATOM 0 HD21 LEU A 61 7.772 -6.597 -0.824 1.00 0.00 H new ATOM 0 HD22 LEU A 61 7.208 -8.256 -1.136 1.00 0.00 H new ATOM 0 HD23 LEU A 61 7.849 -7.269 -2.470 1.00 0.00 H new ATOM 863 N PRO A 62 6.496 -9.345 -5.821 1.00 0.00 N ATOM 864 CA PRO A 62 6.529 -10.657 -6.474 1.00 0.00 C ATOM 865 C PRO A 62 7.085 -11.745 -5.561 1.00 0.00 C ATOM 866 O PRO A 62 7.969 -11.490 -4.745 1.00 0.00 O ATOM 867 CB PRO A 62 7.461 -10.434 -7.669 1.00 0.00 C ATOM 868 CG PRO A 62 8.333 -9.297 -7.262 1.00 0.00 C ATOM 869 CD PRO A 62 7.483 -8.413 -6.392 1.00 0.00 C ATOM 0 HA PRO A 62 5.532 -11.000 -6.751 1.00 0.00 H new ATOM 0 HB2 PRO A 62 8.049 -11.326 -7.885 1.00 0.00 H new ATOM 0 HB3 PRO A 62 6.898 -10.198 -8.572 1.00 0.00 H new ATOM 0 HG2 PRO A 62 9.209 -9.652 -6.719 1.00 0.00 H new ATOM 0 HG3 PRO A 62 8.697 -8.753 -8.134 1.00 0.00 H new ATOM 0 HD2 PRO A 62 8.073 -7.927 -5.615 1.00 0.00 H new ATOM 0 HD3 PRO A 62 7.003 -7.623 -6.969 1.00 0.00 H new ATOM 877 N GLU A 63 6.560 -12.957 -5.706 1.00 0.00 N ATOM 878 CA GLU A 63 7.004 -14.083 -4.894 1.00 0.00 C ATOM 879 C GLU A 63 6.985 -13.725 -3.410 1.00 0.00 C ATOM 880 O GLU A 63 7.995 -13.851 -2.718 1.00 0.00 O ATOM 881 CB GLU A 63 8.412 -14.515 -5.307 1.00 0.00 C ATOM 882 CG GLU A 63 8.429 -15.570 -6.401 1.00 0.00 C ATOM 883 CD GLU A 63 8.315 -16.979 -5.854 1.00 0.00 C ATOM 884 OE1 GLU A 63 9.365 -17.590 -5.565 1.00 0.00 O ATOM 885 OE2 GLU A 63 7.175 -17.471 -5.715 1.00 0.00 O ATOM 0 H GLU A 63 5.827 -13.184 -6.378 1.00 0.00 H new ATOM 0 HA GLU A 63 6.315 -14.911 -5.060 1.00 0.00 H new ATOM 0 HB2 GLU A 63 8.966 -13.640 -5.649 1.00 0.00 H new ATOM 0 HB3 GLU A 63 8.935 -14.902 -4.433 1.00 0.00 H new ATOM 0 HG2 GLU A 63 7.607 -15.385 -7.092 1.00 0.00 H new ATOM 0 HG3 GLU A 63 9.352 -15.480 -6.973 1.00 0.00 H new ATOM 892 N ILE A 64 5.829 -13.278 -2.931 1.00 0.00 N ATOM 893 CA ILE A 64 5.678 -12.901 -1.531 1.00 0.00 C ATOM 894 C ILE A 64 5.934 -14.091 -0.611 1.00 0.00 C ATOM 895 O ILE A 64 5.746 -15.242 -1.002 1.00 0.00 O ATOM 896 CB ILE A 64 4.272 -12.341 -1.247 1.00 0.00 C ATOM 897 CG1 ILE A 64 4.234 -10.836 -1.522 1.00 0.00 C ATOM 898 CG2 ILE A 64 3.865 -12.632 0.190 1.00 0.00 C ATOM 899 CD1 ILE A 64 2.866 -10.329 -1.922 1.00 0.00 C ATOM 0 H ILE A 64 4.984 -13.168 -3.491 1.00 0.00 H new ATOM 0 HA ILE A 64 6.416 -12.124 -1.332 1.00 0.00 H new ATOM 0 HB ILE A 64 3.561 -12.832 -1.912 1.00 0.00 H new ATOM 0 HG12 ILE A 64 4.563 -10.303 -0.630 1.00 0.00 H new ATOM 0 HG13 ILE A 64 4.945 -10.602 -2.314 1.00 0.00 H new ATOM 0 HG21 ILE A 64 2.869 -12.230 0.375 1.00 0.00 H new ATOM 0 HG22 ILE A 64 3.858 -13.709 0.355 1.00 0.00 H new ATOM 0 HG23 ILE A 64 4.577 -12.166 0.871 1.00 0.00 H new ATOM 0 HD11 ILE A 64 2.914 -9.255 -2.101 1.00 0.00 H new ATOM 0 HD12 ILE A 64 2.542 -10.835 -2.832 1.00 0.00 H new ATOM 0 HD13 ILE A 64 2.154 -10.532 -1.122 1.00 0.00 H new ATOM 911 N GLY A 65 6.362 -13.803 0.614 1.00 0.00 N ATOM 912 CA GLY A 65 6.635 -14.859 1.571 1.00 0.00 C ATOM 913 C GLY A 65 6.101 -14.541 2.954 1.00 0.00 C ATOM 914 O GLY A 65 5.291 -13.631 3.136 1.00 0.00 O ATOM 0 H GLY A 65 6.525 -12.858 0.961 1.00 0.00 H new ATOM 0 HA2 GLY A 65 6.189 -15.789 1.218 1.00 0.00 H new ATOM 0 HA3 GLY A 65 7.711 -15.023 1.629 1.00 0.00 H new ATOM 918 N PRO A 66 6.557 -15.304 3.959 1.00 0.00 N ATOM 919 CA PRO A 66 6.132 -15.118 5.349 1.00 0.00 C ATOM 920 C PRO A 66 6.673 -13.826 5.953 1.00 0.00 C ATOM 921 O PRO A 66 6.043 -13.226 6.823 1.00 0.00 O ATOM 922 CB PRO A 66 6.724 -16.333 6.067 1.00 0.00 C ATOM 923 CG PRO A 66 7.895 -16.731 5.235 1.00 0.00 C ATOM 924 CD PRO A 66 7.523 -16.406 3.815 1.00 0.00 C ATOM 0 HA PRO A 66 5.048 -15.040 5.437 1.00 0.00 H new ATOM 0 HB2 PRO A 66 7.027 -16.083 7.084 1.00 0.00 H new ATOM 0 HB3 PRO A 66 5.997 -17.142 6.141 1.00 0.00 H new ATOM 0 HG2 PRO A 66 8.791 -16.189 5.538 1.00 0.00 H new ATOM 0 HG3 PRO A 66 8.111 -17.793 5.348 1.00 0.00 H new ATOM 0 HD2 PRO A 66 8.392 -16.104 3.231 1.00 0.00 H new ATOM 0 HD3 PRO A 66 7.081 -17.264 3.309 1.00 0.00 H new ATOM 932 N GLN A 67 7.844 -13.405 5.486 1.00 0.00 N ATOM 933 CA GLN A 67 8.469 -12.185 5.981 1.00 0.00 C ATOM 934 C GLN A 67 7.722 -10.951 5.486 1.00 0.00 C ATOM 935 O GLN A 67 7.677 -9.926 6.167 1.00 0.00 O ATOM 936 CB GLN A 67 9.932 -12.121 5.539 1.00 0.00 C ATOM 937 CG GLN A 67 10.765 -13.298 6.020 1.00 0.00 C ATOM 938 CD GLN A 67 11.378 -13.061 7.385 1.00 0.00 C ATOM 939 OE1 GLN A 67 11.560 -11.919 7.807 1.00 0.00 O ATOM 940 NE2 GLN A 67 11.703 -14.142 8.085 1.00 0.00 N ATOM 0 H GLN A 67 8.379 -13.891 4.766 1.00 0.00 H new ATOM 0 HA GLN A 67 8.426 -12.201 7.070 1.00 0.00 H new ATOM 0 HB2 GLN A 67 9.972 -12.079 4.451 1.00 0.00 H new ATOM 0 HB3 GLN A 67 10.375 -11.197 5.911 1.00 0.00 H new ATOM 0 HG2 GLN A 67 10.139 -14.190 6.057 1.00 0.00 H new ATOM 0 HG3 GLN A 67 11.558 -13.495 5.299 1.00 0.00 H new ATOM 0 HE21 GLN A 67 11.535 -15.070 7.697 1.00 0.00 H new ATOM 0 HE22 GLN A 67 12.121 -14.044 9.010 1.00 0.00 H new ATOM 949 N ASP A 68 7.138 -11.056 4.298 1.00 0.00 N ATOM 950 CA ASP A 68 6.391 -9.949 3.711 1.00 0.00 C ATOM 951 C ASP A 68 5.214 -9.556 4.599 1.00 0.00 C ATOM 952 O ASP A 68 4.907 -8.375 4.750 1.00 0.00 O ATOM 953 CB ASP A 68 5.891 -10.325 2.316 1.00 0.00 C ATOM 954 CG ASP A 68 7.021 -10.692 1.375 1.00 0.00 C ATOM 955 OD1 ASP A 68 7.875 -11.516 1.765 1.00 0.00 O ATOM 956 OD2 ASP A 68 7.052 -10.155 0.248 1.00 0.00 O ATOM 0 H ASP A 68 7.167 -11.897 3.722 1.00 0.00 H new ATOM 0 HA ASP A 68 7.062 -9.094 3.629 1.00 0.00 H new ATOM 0 HB2 ASP A 68 5.201 -11.165 2.395 1.00 0.00 H new ATOM 0 HB3 ASP A 68 5.330 -9.490 1.897 1.00 0.00 H new ATOM 961 N GLN A 69 4.560 -10.556 5.182 1.00 0.00 N ATOM 962 CA GLN A 69 3.416 -10.315 6.052 1.00 0.00 C ATOM 963 C GLN A 69 3.654 -9.097 6.939 1.00 0.00 C ATOM 964 O GLN A 69 4.775 -8.849 7.382 1.00 0.00 O ATOM 965 CB GLN A 69 3.139 -11.545 6.918 1.00 0.00 C ATOM 966 CG GLN A 69 2.453 -12.675 6.168 1.00 0.00 C ATOM 967 CD GLN A 69 1.833 -13.701 7.097 1.00 0.00 C ATOM 968 OE1 GLN A 69 0.643 -13.638 7.404 1.00 0.00 O ATOM 969 NE2 GLN A 69 2.640 -14.653 7.549 1.00 0.00 N ATOM 0 H GLN A 69 4.803 -11.540 5.067 1.00 0.00 H new ATOM 0 HA GLN A 69 2.548 -10.120 5.423 1.00 0.00 H new ATOM 0 HB2 GLN A 69 4.081 -11.911 7.327 1.00 0.00 H new ATOM 0 HB3 GLN A 69 2.517 -11.251 7.764 1.00 0.00 H new ATOM 0 HG2 GLN A 69 1.679 -12.260 5.523 1.00 0.00 H new ATOM 0 HG3 GLN A 69 3.178 -13.168 5.520 1.00 0.00 H new ATOM 0 HE21 GLN A 69 3.620 -14.666 7.268 1.00 0.00 H new ATOM 0 HE22 GLN A 69 2.280 -15.371 8.177 1.00 0.00 H new ATOM 978 N GLY A 70 2.591 -8.340 7.195 1.00 0.00 N ATOM 979 CA GLY A 70 2.706 -7.157 8.027 1.00 0.00 C ATOM 980 C GLY A 70 1.847 -6.011 7.528 1.00 0.00 C ATOM 981 O GLY A 70 1.075 -6.170 6.583 1.00 0.00 O ATOM 0 H GLY A 70 1.653 -8.525 6.841 1.00 0.00 H new ATOM 0 HA2 GLY A 70 2.417 -7.405 9.048 1.00 0.00 H new ATOM 0 HA3 GLY A 70 3.748 -6.839 8.059 1.00 0.00 H new ATOM 985 N THR A 71 1.980 -4.853 8.167 1.00 0.00 N ATOM 986 CA THR A 71 1.208 -3.677 7.785 1.00 0.00 C ATOM 987 C THR A 71 1.917 -2.885 6.693 1.00 0.00 C ATOM 988 O THR A 71 3.116 -2.618 6.785 1.00 0.00 O ATOM 989 CB THR A 71 0.956 -2.754 8.992 1.00 0.00 C ATOM 990 OG1 THR A 71 2.062 -2.821 9.899 1.00 0.00 O ATOM 991 CG2 THR A 71 -0.324 -3.145 9.715 1.00 0.00 C ATOM 0 H THR A 71 2.615 -4.704 8.951 1.00 0.00 H new ATOM 0 HA THR A 71 0.251 -4.036 7.406 1.00 0.00 H new ATOM 0 HB THR A 71 0.849 -1.733 8.625 1.00 0.00 H new ATOM 0 HG1 THR A 71 1.895 -2.230 10.663 1.00 0.00 H new ATOM 0 HG21 THR A 71 -0.481 -2.479 10.564 1.00 0.00 H new ATOM 0 HG22 THR A 71 -1.168 -3.064 9.030 1.00 0.00 H new ATOM 0 HG23 THR A 71 -0.242 -4.172 10.070 1.00 0.00 H new ATOM 999 N TYR A 72 1.170 -2.511 5.660 1.00 0.00 N ATOM 1000 CA TYR A 72 1.729 -1.750 4.549 1.00 0.00 C ATOM 1001 C TYR A 72 0.907 -0.492 4.282 1.00 0.00 C ATOM 1002 O TYR A 72 -0.291 -0.567 4.009 1.00 0.00 O ATOM 1003 CB TYR A 72 1.783 -2.614 3.288 1.00 0.00 C ATOM 1004 CG TYR A 72 2.890 -3.644 3.307 1.00 0.00 C ATOM 1005 CD1 TYR A 72 2.936 -4.625 4.290 1.00 0.00 C ATOM 1006 CD2 TYR A 72 3.889 -3.637 2.342 1.00 0.00 C ATOM 1007 CE1 TYR A 72 3.946 -5.567 4.312 1.00 0.00 C ATOM 1008 CE2 TYR A 72 4.902 -4.577 2.355 1.00 0.00 C ATOM 1009 CZ TYR A 72 4.926 -5.539 3.343 1.00 0.00 C ATOM 1010 OH TYR A 72 5.933 -6.477 3.360 1.00 0.00 O ATOM 0 H TYR A 72 0.176 -2.722 5.569 1.00 0.00 H new ATOM 0 HA TYR A 72 2.741 -1.450 4.820 1.00 0.00 H new ATOM 0 HB2 TYR A 72 0.827 -3.123 3.165 1.00 0.00 H new ATOM 0 HB3 TYR A 72 1.914 -1.968 2.420 1.00 0.00 H new ATOM 0 HD1 TYR A 72 2.169 -4.651 5.050 1.00 0.00 H new ATOM 0 HD2 TYR A 72 3.874 -2.884 1.568 1.00 0.00 H new ATOM 0 HE1 TYR A 72 3.968 -6.322 5.084 1.00 0.00 H new ATOM 0 HE2 TYR A 72 5.670 -4.558 1.596 1.00 0.00 H new ATOM 0 HH TYR A 72 5.777 -7.112 4.090 1.00 0.00 H new ATOM 1020 N SER A 73 1.561 0.662 4.362 1.00 0.00 N ATOM 1021 CA SER A 73 0.891 1.937 4.132 1.00 0.00 C ATOM 1022 C SER A 73 1.726 2.833 3.221 1.00 0.00 C ATOM 1023 O SER A 73 2.949 2.897 3.346 1.00 0.00 O ATOM 1024 CB SER A 73 0.629 2.646 5.462 1.00 0.00 C ATOM 1025 OG SER A 73 0.225 3.989 5.253 1.00 0.00 O ATOM 0 H SER A 73 2.553 0.741 4.584 1.00 0.00 H new ATOM 0 HA SER A 73 -0.061 1.736 3.641 1.00 0.00 H new ATOM 0 HB2 SER A 73 -0.143 2.113 6.016 1.00 0.00 H new ATOM 0 HB3 SER A 73 1.532 2.625 6.073 1.00 0.00 H new ATOM 0 HG SER A 73 -0.710 4.096 5.526 1.00 0.00 H new ATOM 1031 N CYS A 74 1.055 3.522 2.305 1.00 0.00 N ATOM 1032 CA CYS A 74 1.732 4.414 1.371 1.00 0.00 C ATOM 1033 C CYS A 74 1.757 5.844 1.905 1.00 0.00 C ATOM 1034 O CYS A 74 0.713 6.428 2.194 1.00 0.00 O ATOM 1035 CB CYS A 74 1.040 4.380 0.007 1.00 0.00 C ATOM 1036 SG CYS A 74 -0.762 4.634 0.081 1.00 0.00 S ATOM 0 H CYS A 74 0.042 3.480 2.189 1.00 0.00 H new ATOM 0 HA CYS A 74 2.760 4.068 1.258 1.00 0.00 H new ATOM 0 HB2 CYS A 74 1.479 5.148 -0.630 1.00 0.00 H new ATOM 0 HB3 CYS A 74 1.242 3.419 -0.467 1.00 0.00 H new ATOM 1041 N VAL A 75 2.957 6.401 2.034 1.00 0.00 N ATOM 1042 CA VAL A 75 3.118 7.762 2.532 1.00 0.00 C ATOM 1043 C VAL A 75 3.337 8.744 1.386 1.00 0.00 C ATOM 1044 O VAL A 75 4.464 8.948 0.937 1.00 0.00 O ATOM 1045 CB VAL A 75 4.301 7.864 3.513 1.00 0.00 C ATOM 1046 CG1 VAL A 75 4.512 9.306 3.947 1.00 0.00 C ATOM 1047 CG2 VAL A 75 4.072 6.964 4.718 1.00 0.00 C ATOM 0 H VAL A 75 3.832 5.931 1.801 1.00 0.00 H new ATOM 0 HA VAL A 75 2.197 8.018 3.056 1.00 0.00 H new ATOM 0 HB VAL A 75 5.204 7.528 3.003 1.00 0.00 H new ATOM 0 HG11 VAL A 75 5.352 9.358 4.640 1.00 0.00 H new ATOM 0 HG12 VAL A 75 4.724 9.922 3.073 1.00 0.00 H new ATOM 0 HG13 VAL A 75 3.612 9.673 4.440 1.00 0.00 H new ATOM 0 HG21 VAL A 75 4.917 7.048 5.401 1.00 0.00 H new ATOM 0 HG22 VAL A 75 3.159 7.268 5.231 1.00 0.00 H new ATOM 0 HG23 VAL A 75 3.975 5.930 4.387 1.00 0.00 H new ATOM 1057 N ALA A 76 2.251 9.350 0.918 1.00 0.00 N ATOM 1058 CA ALA A 76 2.324 10.313 -0.173 1.00 0.00 C ATOM 1059 C ALA A 76 2.635 11.711 0.348 1.00 0.00 C ATOM 1060 O ALA A 76 2.085 12.145 1.361 1.00 0.00 O ATOM 1061 CB ALA A 76 1.021 10.318 -0.960 1.00 0.00 C ATOM 0 H ALA A 76 1.310 9.191 1.278 1.00 0.00 H new ATOM 0 HA ALA A 76 3.135 10.013 -0.836 1.00 0.00 H new ATOM 0 HB1 ALA A 76 1.089 11.042 -1.772 1.00 0.00 H new ATOM 0 HB2 ALA A 76 0.842 9.325 -1.373 1.00 0.00 H new ATOM 0 HB3 ALA A 76 0.198 10.590 -0.299 1.00 0.00 H new ATOM 1067 N THR A 77 3.521 12.415 -0.350 1.00 0.00 N ATOM 1068 CA THR A 77 3.907 13.764 0.043 1.00 0.00 C ATOM 1069 C THR A 77 3.879 14.714 -1.148 1.00 0.00 C ATOM 1070 O THR A 77 4.534 14.473 -2.163 1.00 0.00 O ATOM 1071 CB THR A 77 5.315 13.785 0.669 1.00 0.00 C ATOM 1072 OG1 THR A 77 6.289 13.392 -0.304 1.00 0.00 O ATOM 1073 CG2 THR A 77 5.387 12.856 1.871 1.00 0.00 C ATOM 0 H THR A 77 3.985 12.072 -1.191 1.00 0.00 H new ATOM 0 HA THR A 77 3.181 14.096 0.785 1.00 0.00 H new ATOM 0 HB THR A 77 5.525 14.801 1.003 1.00 0.00 H new ATOM 0 HG1 THR A 77 5.984 13.655 -1.197 1.00 0.00 H new ATOM 0 HG21 THR A 77 6.390 12.888 2.296 1.00 0.00 H new ATOM 0 HG22 THR A 77 4.665 13.176 2.622 1.00 0.00 H new ATOM 0 HG23 THR A 77 5.158 11.837 1.558 1.00 0.00 H new ATOM 1081 N HIS A 78 3.116 15.795 -1.020 1.00 0.00 N ATOM 1082 CA HIS A 78 3.004 16.783 -2.087 1.00 0.00 C ATOM 1083 C HIS A 78 2.674 18.160 -1.519 1.00 0.00 C ATOM 1084 O HIS A 78 2.485 18.316 -0.313 1.00 0.00 O ATOM 1085 CB HIS A 78 1.929 16.361 -3.089 1.00 0.00 C ATOM 1086 CG HIS A 78 0.819 15.563 -2.478 1.00 0.00 C ATOM 1087 ND1 HIS A 78 0.327 15.805 -1.212 1.00 0.00 N ATOM 1088 CD2 HIS A 78 0.102 14.524 -2.966 1.00 0.00 C ATOM 1089 CE1 HIS A 78 -0.642 14.947 -0.947 1.00 0.00 C ATOM 1090 NE2 HIS A 78 -0.799 14.159 -1.996 1.00 0.00 N ATOM 0 H HIS A 78 2.566 16.009 -0.188 1.00 0.00 H new ATOM 0 HA HIS A 78 3.965 16.841 -2.598 1.00 0.00 H new ATOM 0 HB2 HIS A 78 1.510 17.252 -3.556 1.00 0.00 H new ATOM 0 HB3 HIS A 78 2.393 15.774 -3.882 1.00 0.00 H new ATOM 0 HD1 HIS A 78 0.659 16.533 -0.579 1.00 0.00 H new ATOM 0 HD2 HIS A 78 0.217 14.067 -3.938 1.00 0.00 H new ATOM 0 HE1 HIS A 78 -1.209 14.898 -0.029 1.00 0.00 H new ATOM 1099 N SER A 79 2.608 19.156 -2.397 1.00 0.00 N ATOM 1100 CA SER A 79 2.306 20.521 -1.983 1.00 0.00 C ATOM 1101 C SER A 79 0.984 20.579 -1.224 1.00 0.00 C ATOM 1102 O SER A 79 0.933 21.024 -0.078 1.00 0.00 O ATOM 1103 CB SER A 79 2.249 21.445 -3.201 1.00 0.00 C ATOM 1104 OG SER A 79 2.271 22.807 -2.810 1.00 0.00 O ATOM 0 H SER A 79 2.760 19.043 -3.399 1.00 0.00 H new ATOM 0 HA SER A 79 3.102 20.857 -1.318 1.00 0.00 H new ATOM 0 HB2 SER A 79 3.094 21.238 -3.858 1.00 0.00 H new ATOM 0 HB3 SER A 79 1.344 21.242 -3.773 1.00 0.00 H new ATOM 0 HG SER A 79 2.235 23.377 -3.607 1.00 0.00 H new ATOM 1110 N SER A 80 -0.084 20.126 -1.873 1.00 0.00 N ATOM 1111 CA SER A 80 -1.408 20.129 -1.262 1.00 0.00 C ATOM 1112 C SER A 80 -1.332 19.698 0.200 1.00 0.00 C ATOM 1113 O SER A 80 -1.945 20.314 1.073 1.00 0.00 O ATOM 1114 CB SER A 80 -2.350 19.200 -2.031 1.00 0.00 C ATOM 1115 OG SER A 80 -1.796 17.902 -2.156 1.00 0.00 O ATOM 0 H SER A 80 -0.058 19.752 -2.822 1.00 0.00 H new ATOM 0 HA SER A 80 -1.798 21.146 -1.304 1.00 0.00 H new ATOM 0 HB2 SER A 80 -3.309 19.142 -1.516 1.00 0.00 H new ATOM 0 HB3 SER A 80 -2.545 19.613 -3.021 1.00 0.00 H new ATOM 0 HG SER A 80 -2.418 17.327 -2.649 1.00 0.00 H new ATOM 1121 N HIS A 81 -0.576 18.636 0.459 1.00 0.00 N ATOM 1122 CA HIS A 81 -0.419 18.121 1.815 1.00 0.00 C ATOM 1123 C HIS A 81 0.963 17.504 2.005 1.00 0.00 C ATOM 1124 O HIS A 81 1.420 16.716 1.179 1.00 0.00 O ATOM 1125 CB HIS A 81 -1.500 17.084 2.118 1.00 0.00 C ATOM 1126 CG HIS A 81 -2.855 17.680 2.351 1.00 0.00 C ATOM 1127 ND1 HIS A 81 -3.627 18.210 1.339 1.00 0.00 N ATOM 1128 CD2 HIS A 81 -3.574 17.827 3.488 1.00 0.00 C ATOM 1129 CE1 HIS A 81 -4.763 18.659 1.845 1.00 0.00 C ATOM 1130 NE2 HIS A 81 -4.755 18.438 3.147 1.00 0.00 N ATOM 0 H HIS A 81 -0.062 18.115 -0.252 1.00 0.00 H new ATOM 0 HA HIS A 81 -0.523 18.956 2.508 1.00 0.00 H new ATOM 0 HB2 HIS A 81 -1.560 16.381 1.288 1.00 0.00 H new ATOM 0 HB3 HIS A 81 -1.207 16.513 2.999 1.00 0.00 H new ATOM 0 HD2 HIS A 81 -3.274 17.521 4.479 1.00 0.00 H new ATOM 0 HE1 HIS A 81 -5.562 19.127 1.288 1.00 0.00 H new ATOM 0 HE2 HIS A 81 -5.505 18.682 3.794 1.00 0.00 H new ATOM 1139 N GLY A 82 1.624 17.868 3.100 1.00 0.00 N ATOM 1140 CA GLY A 82 2.947 17.341 3.378 1.00 0.00 C ATOM 1141 C GLY A 82 2.948 15.834 3.541 1.00 0.00 C ATOM 1142 O GLY A 82 2.552 15.091 2.643 1.00 0.00 O ATOM 0 H GLY A 82 1.266 18.519 3.799 1.00 0.00 H new ATOM 0 HA2 GLY A 82 3.622 17.616 2.568 1.00 0.00 H new ATOM 0 HA3 GLY A 82 3.335 17.802 4.286 1.00 0.00 H new ATOM 1146 N PRO A 83 3.404 15.362 4.710 1.00 0.00 N ATOM 1147 CA PRO A 83 3.468 13.929 5.014 1.00 0.00 C ATOM 1148 C PRO A 83 2.085 13.312 5.193 1.00 0.00 C ATOM 1149 O PRO A 83 1.510 13.361 6.280 1.00 0.00 O ATOM 1150 CB PRO A 83 4.249 13.880 6.330 1.00 0.00 C ATOM 1151 CG PRO A 83 4.014 15.210 6.960 1.00 0.00 C ATOM 1152 CD PRO A 83 3.893 16.190 5.826 1.00 0.00 C ATOM 0 HA PRO A 83 3.930 13.362 4.206 1.00 0.00 H new ATOM 0 HB2 PRO A 83 3.896 13.071 6.970 1.00 0.00 H new ATOM 0 HB3 PRO A 83 5.311 13.707 6.154 1.00 0.00 H new ATOM 0 HG2 PRO A 83 3.108 15.200 7.566 1.00 0.00 H new ATOM 0 HG3 PRO A 83 4.837 15.479 7.622 1.00 0.00 H new ATOM 0 HD2 PRO A 83 3.198 16.995 6.063 1.00 0.00 H new ATOM 0 HD3 PRO A 83 4.851 16.654 5.592 1.00 0.00 H new ATOM 1160 N GLN A 84 1.557 12.733 4.120 1.00 0.00 N ATOM 1161 CA GLN A 84 0.241 12.107 4.159 1.00 0.00 C ATOM 1162 C GLN A 84 0.362 10.587 4.196 1.00 0.00 C ATOM 1163 O GLN A 84 1.078 9.993 3.391 1.00 0.00 O ATOM 1164 CB GLN A 84 -0.587 12.535 2.947 1.00 0.00 C ATOM 1165 CG GLN A 84 -2.074 12.258 3.097 1.00 0.00 C ATOM 1166 CD GLN A 84 -2.677 12.947 4.306 1.00 0.00 C ATOM 1167 OE1 GLN A 84 -2.948 14.147 4.280 1.00 0.00 O ATOM 1168 NE2 GLN A 84 -2.890 12.188 5.375 1.00 0.00 N ATOM 0 H GLN A 84 2.020 12.684 3.213 1.00 0.00 H new ATOM 0 HA GLN A 84 -0.263 12.435 5.068 1.00 0.00 H new ATOM 0 HB2 GLN A 84 -0.440 13.601 2.775 1.00 0.00 H new ATOM 0 HB3 GLN A 84 -0.217 12.016 2.063 1.00 0.00 H new ATOM 0 HG2 GLN A 84 -2.594 12.589 2.198 1.00 0.00 H new ATOM 0 HG3 GLN A 84 -2.233 11.183 3.179 1.00 0.00 H new ATOM 0 HE21 GLN A 84 -2.650 11.197 5.353 1.00 0.00 H new ATOM 0 HE22 GLN A 84 -3.293 12.596 6.218 1.00 0.00 H new ATOM 1177 N GLU A 85 -0.343 9.964 5.135 1.00 0.00 N ATOM 1178 CA GLU A 85 -0.312 8.513 5.277 1.00 0.00 C ATOM 1179 C GLU A 85 -1.717 7.927 5.168 1.00 0.00 C ATOM 1180 O GLU A 85 -2.651 8.400 5.815 1.00 0.00 O ATOM 1181 CB GLU A 85 0.313 8.122 6.617 1.00 0.00 C ATOM 1182 CG GLU A 85 0.827 6.693 6.655 1.00 0.00 C ATOM 1183 CD GLU A 85 1.847 6.469 7.755 1.00 0.00 C ATOM 1184 OE1 GLU A 85 1.467 6.555 8.942 1.00 0.00 O ATOM 1185 OE2 GLU A 85 3.024 6.207 7.429 1.00 0.00 O ATOM 0 H GLU A 85 -0.942 10.441 5.808 1.00 0.00 H new ATOM 0 HA GLU A 85 0.297 8.107 4.469 1.00 0.00 H new ATOM 0 HB2 GLU A 85 1.137 8.801 6.836 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -0.427 8.254 7.406 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -0.012 6.013 6.799 1.00 0.00 H new ATOM 0 HG3 GLU A 85 1.276 6.447 5.693 1.00 0.00 H new ATOM 1192 N SER A 86 -1.858 6.894 4.343 1.00 0.00 N ATOM 1193 CA SER A 86 -3.149 6.244 4.145 1.00 0.00 C ATOM 1194 C SER A 86 -3.367 5.143 5.178 1.00 0.00 C ATOM 1195 O SER A 86 -2.471 4.823 5.960 1.00 0.00 O ATOM 1196 CB SER A 86 -3.238 5.660 2.734 1.00 0.00 C ATOM 1197 OG SER A 86 -2.352 4.566 2.578 1.00 0.00 O ATOM 0 H SER A 86 -1.095 6.489 3.801 1.00 0.00 H new ATOM 0 HA SER A 86 -3.929 6.995 4.270 1.00 0.00 H new ATOM 0 HB2 SER A 86 -4.259 5.336 2.535 1.00 0.00 H new ATOM 0 HB3 SER A 86 -3.000 6.432 2.002 1.00 0.00 H new ATOM 0 HG SER A 86 -1.611 4.826 1.992 1.00 0.00 H new ATOM 1203 N ARG A 87 -4.565 4.567 5.176 1.00 0.00 N ATOM 1204 CA ARG A 87 -4.902 3.502 6.113 1.00 0.00 C ATOM 1205 C ARG A 87 -3.820 2.427 6.127 1.00 0.00 C ATOM 1206 O ARG A 87 -2.967 2.379 5.241 1.00 0.00 O ATOM 1207 CB ARG A 87 -6.250 2.879 5.745 1.00 0.00 C ATOM 1208 CG ARG A 87 -7.438 3.573 6.392 1.00 0.00 C ATOM 1209 CD ARG A 87 -7.666 3.079 7.812 1.00 0.00 C ATOM 1210 NE ARG A 87 -8.512 1.890 7.850 1.00 0.00 N ATOM 1211 CZ ARG A 87 -9.832 1.923 7.702 1.00 0.00 C ATOM 1212 NH1 ARG A 87 -10.452 3.078 7.507 1.00 0.00 N ATOM 1213 NH2 ARG A 87 -10.534 0.797 7.748 1.00 0.00 N ATOM 0 H ARG A 87 -5.318 4.820 4.536 1.00 0.00 H new ATOM 0 HA ARG A 87 -4.970 3.937 7.110 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -6.370 2.906 4.662 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -6.248 1.830 6.039 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -7.270 4.650 6.403 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -8.333 3.396 5.796 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -6.706 2.855 8.276 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -8.128 3.871 8.401 1.00 0.00 H new ATOM 0 HE ARG A 87 -8.066 0.985 7.998 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -9.916 3.945 7.470 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -11.465 3.100 7.394 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -10.060 -0.094 7.897 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -11.547 0.823 7.634 1.00 0.00 H new ATOM 1227 N ALA A 88 -3.861 1.567 7.139 1.00 0.00 N ATOM 1228 CA ALA A 88 -2.885 0.492 7.268 1.00 0.00 C ATOM 1229 C ALA A 88 -3.501 -0.855 6.903 1.00 0.00 C ATOM 1230 O ALA A 88 -4.449 -1.309 7.544 1.00 0.00 O ATOM 1231 CB ALA A 88 -2.327 0.453 8.683 1.00 0.00 C ATOM 0 H ALA A 88 -4.560 1.594 7.882 1.00 0.00 H new ATOM 0 HA ALA A 88 -2.069 0.690 6.573 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -1.599 -0.354 8.765 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -1.842 1.403 8.909 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -3.139 0.283 9.390 1.00 0.00 H new ATOM 1237 N VAL A 89 -2.956 -1.489 5.870 1.00 0.00 N ATOM 1238 CA VAL A 89 -3.451 -2.785 5.420 1.00 0.00 C ATOM 1239 C VAL A 89 -2.563 -3.917 5.923 1.00 0.00 C ATOM 1240 O VAL A 89 -1.339 -3.861 5.803 1.00 0.00 O ATOM 1241 CB VAL A 89 -3.530 -2.852 3.883 1.00 0.00 C ATOM 1242 CG1 VAL A 89 -2.196 -2.467 3.262 1.00 0.00 C ATOM 1243 CG2 VAL A 89 -3.956 -4.241 3.433 1.00 0.00 C ATOM 0 H VAL A 89 -2.171 -1.126 5.329 1.00 0.00 H new ATOM 0 HA VAL A 89 -4.453 -2.903 5.833 1.00 0.00 H new ATOM 0 HB VAL A 89 -4.280 -2.138 3.543 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -2.271 -2.520 2.176 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -1.937 -1.451 3.558 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -1.423 -3.154 3.606 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -4.007 -4.271 2.345 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -3.230 -4.975 3.783 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -4.936 -4.473 3.849 1.00 0.00 H new ATOM 1253 N SER A 90 -3.188 -4.946 6.486 1.00 0.00 N ATOM 1254 CA SER A 90 -2.455 -6.092 7.011 1.00 0.00 C ATOM 1255 C SER A 90 -2.347 -7.195 5.961 1.00 0.00 C ATOM 1256 O SER A 90 -3.343 -7.818 5.596 1.00 0.00 O ATOM 1257 CB SER A 90 -3.141 -6.633 8.266 1.00 0.00 C ATOM 1258 OG SER A 90 -4.420 -7.161 7.960 1.00 0.00 O ATOM 0 H SER A 90 -4.201 -5.010 6.590 1.00 0.00 H new ATOM 0 HA SER A 90 -1.450 -5.760 7.270 1.00 0.00 H new ATOM 0 HB2 SER A 90 -2.522 -7.409 8.717 1.00 0.00 H new ATOM 0 HB3 SER A 90 -3.240 -5.836 9.003 1.00 0.00 H new ATOM 0 HG SER A 90 -4.444 -7.435 7.019 1.00 0.00 H new ATOM 1264 N ILE A 91 -1.130 -7.429 5.482 1.00 0.00 N ATOM 1265 CA ILE A 91 -0.890 -8.456 4.476 1.00 0.00 C ATOM 1266 C ILE A 91 -0.619 -9.809 5.125 1.00 0.00 C ATOM 1267 O ILE A 91 0.378 -9.983 5.827 1.00 0.00 O ATOM 1268 CB ILE A 91 0.297 -8.088 3.566 1.00 0.00 C ATOM 1269 CG1 ILE A 91 -0.022 -6.828 2.759 1.00 0.00 C ATOM 1270 CG2 ILE A 91 0.633 -9.246 2.639 1.00 0.00 C ATOM 1271 CD1 ILE A 91 -1.213 -6.984 1.840 1.00 0.00 C ATOM 0 H ILE A 91 -0.295 -6.921 5.774 1.00 0.00 H new ATOM 0 HA ILE A 91 -1.794 -8.521 3.870 1.00 0.00 H new ATOM 0 HB ILE A 91 1.166 -7.885 4.192 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -0.210 -6.004 3.447 1.00 0.00 H new ATOM 0 HG13 ILE A 91 0.851 -6.556 2.166 1.00 0.00 H new ATOM 0 HG21 ILE A 91 1.474 -8.970 2.002 1.00 0.00 H new ATOM 0 HG22 ILE A 91 0.898 -10.121 3.232 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -0.232 -9.477 2.018 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -1.380 -6.052 1.300 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -1.020 -7.787 1.128 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -2.098 -7.226 2.429 1.00 0.00 H new ATOM 1283 N SER A 92 -1.511 -10.764 4.884 1.00 0.00 N ATOM 1284 CA SER A 92 -1.368 -12.102 5.447 1.00 0.00 C ATOM 1285 C SER A 92 -1.315 -13.153 4.343 1.00 0.00 C ATOM 1286 O SER A 92 -1.735 -12.903 3.213 1.00 0.00 O ATOM 1287 CB SER A 92 -2.527 -12.403 6.399 1.00 0.00 C ATOM 1288 OG SER A 92 -2.406 -11.663 7.601 1.00 0.00 O ATOM 0 H SER A 92 -2.340 -10.637 4.303 1.00 0.00 H new ATOM 0 HA SER A 92 -0.431 -12.138 6.003 1.00 0.00 H new ATOM 0 HB2 SER A 92 -3.472 -12.161 5.913 1.00 0.00 H new ATOM 0 HB3 SER A 92 -2.548 -13.469 6.625 1.00 0.00 H new ATOM 0 HG SER A 92 -3.160 -11.872 8.191 1.00 0.00 H new ATOM 1294 N ILE A 93 -0.796 -14.329 4.679 1.00 0.00 N ATOM 1295 CA ILE A 93 -0.689 -15.419 3.717 1.00 0.00 C ATOM 1296 C ILE A 93 -1.872 -16.375 3.835 1.00 0.00 C ATOM 1297 O ILE A 93 -2.264 -16.759 4.937 1.00 0.00 O ATOM 1298 CB ILE A 93 0.618 -16.211 3.907 1.00 0.00 C ATOM 1299 CG1 ILE A 93 1.828 -15.294 3.715 1.00 0.00 C ATOM 1300 CG2 ILE A 93 0.674 -17.381 2.936 1.00 0.00 C ATOM 1301 CD1 ILE A 93 3.143 -15.945 4.083 1.00 0.00 C ATOM 0 H ILE A 93 -0.443 -14.551 5.610 1.00 0.00 H new ATOM 0 HA ILE A 93 -0.689 -14.966 2.726 1.00 0.00 H new ATOM 0 HB ILE A 93 0.642 -16.606 4.923 1.00 0.00 H new ATOM 0 HG12 ILE A 93 1.869 -14.973 2.674 1.00 0.00 H new ATOM 0 HG13 ILE A 93 1.694 -14.397 4.320 1.00 0.00 H new ATOM 0 HG21 ILE A 93 1.604 -17.931 3.082 1.00 0.00 H new ATOM 0 HG22 ILE A 93 -0.172 -18.044 3.116 1.00 0.00 H new ATOM 0 HG23 ILE A 93 0.631 -17.007 1.913 1.00 0.00 H new ATOM 0 HD11 ILE A 93 3.957 -15.238 3.922 1.00 0.00 H new ATOM 0 HD12 ILE A 93 3.122 -16.241 5.132 1.00 0.00 H new ATOM 0 HD13 ILE A 93 3.300 -16.826 3.461 1.00 0.00 H new ATOM 1313 N ILE A 94 -2.434 -16.756 2.693 1.00 0.00 N ATOM 1314 CA ILE A 94 -3.569 -17.670 2.669 1.00 0.00 C ATOM 1315 C ILE A 94 -3.106 -19.122 2.653 1.00 0.00 C ATOM 1316 O ILE A 94 -2.164 -19.476 1.944 1.00 0.00 O ATOM 1317 CB ILE A 94 -4.469 -17.417 1.445 1.00 0.00 C ATOM 1318 CG1 ILE A 94 -4.834 -15.934 1.351 1.00 0.00 C ATOM 1319 CG2 ILE A 94 -5.724 -18.273 1.524 1.00 0.00 C ATOM 1320 CD1 ILE A 94 -5.603 -15.579 0.097 1.00 0.00 C ATOM 0 H ILE A 94 -2.122 -16.446 1.773 1.00 0.00 H new ATOM 0 HA ILE A 94 -4.143 -17.484 3.577 1.00 0.00 H new ATOM 0 HB ILE A 94 -3.920 -17.695 0.545 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -5.428 -15.659 2.222 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -3.921 -15.340 1.388 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -6.350 -18.083 0.652 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -5.445 -19.326 1.548 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -6.278 -18.024 2.429 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -5.828 -14.512 0.098 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -5.002 -15.823 -0.779 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -6.534 -16.146 0.068 1.00 0.00 H new ATOM 1332 N GLU A 95 -3.775 -19.960 3.440 1.00 0.00 N ATOM 1333 CA GLU A 95 -3.432 -21.375 3.515 1.00 0.00 C ATOM 1334 C GLU A 95 -3.687 -22.069 2.180 1.00 0.00 C ATOM 1335 O GLU A 95 -4.639 -21.760 1.463 1.00 0.00 O ATOM 1336 CB GLU A 95 -4.238 -22.060 4.621 1.00 0.00 C ATOM 1337 CG GLU A 95 -5.729 -22.122 4.337 1.00 0.00 C ATOM 1338 CD GLU A 95 -6.420 -20.789 4.554 1.00 0.00 C ATOM 1339 OE1 GLU A 95 -6.102 -20.113 5.555 1.00 0.00 O ATOM 1340 OE2 GLU A 95 -7.278 -20.423 3.724 1.00 0.00 O ATOM 0 H GLU A 95 -4.557 -19.683 4.034 1.00 0.00 H new ATOM 0 HA GLU A 95 -2.370 -21.453 3.748 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -3.861 -23.073 4.760 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -4.077 -21.528 5.559 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -5.886 -22.445 3.308 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -6.187 -22.873 4.980 1.00 0.00 H new ATOM 1347 N PRO A 96 -2.816 -23.030 1.837 1.00 0.00 N ATOM 1348 CA PRO A 96 -2.925 -23.787 0.587 1.00 0.00 C ATOM 1349 C PRO A 96 -4.121 -24.734 0.586 1.00 0.00 C ATOM 1350 O PRO A 96 -4.886 -24.782 -0.378 1.00 0.00 O ATOM 1351 CB PRO A 96 -1.616 -24.579 0.537 1.00 0.00 C ATOM 1352 CG PRO A 96 -1.196 -24.708 1.960 1.00 0.00 C ATOM 1353 CD PRO A 96 -1.658 -23.450 2.643 1.00 0.00 C ATOM 0 HA PRO A 96 -3.078 -23.135 -0.273 1.00 0.00 H new ATOM 0 HB2 PRO A 96 -1.762 -25.556 0.077 1.00 0.00 H new ATOM 0 HB3 PRO A 96 -0.861 -24.059 -0.053 1.00 0.00 H new ATOM 0 HG2 PRO A 96 -1.643 -25.589 2.421 1.00 0.00 H new ATOM 0 HG3 PRO A 96 -0.115 -24.821 2.039 1.00 0.00 H new ATOM 0 HD2 PRO A 96 -1.936 -23.635 3.680 1.00 0.00 H new ATOM 0 HD3 PRO A 96 -0.878 -22.689 2.653 1.00 0.00 H new TER 1361 PRO A 96