USER MOD reduce.3.24.130724 H: found=0, std=0, add=686, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 684 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 69 MET CE :methyl 156:sc= -2.88! (180deg=-5.39!) USER MOD Set 1.2: A 72 GLN : amide:sc= -5.28! C(o=-8.2!,f=-15!) USER MOD Set 2.1: A 10 SER OG : rot -153:sc= 0.667 USER MOD Set 2.2: A 14 GLN : amide:sc= 0.722 K(o=1.4,f=-0.26) 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 30:sc= 0.0262 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 16 GLN : amide:sc= -4.26! C(o=-4.3!,f=-10!) USER MOD Single : A 17 GLN : amide:sc= -0.0306 X(o=-0.031,f=0) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 TYR OH : rot 165:sc= -2.44! USER MOD Single : A 30 SER OG : rot 44:sc= 0.724 USER MOD Single : A 34 MET CE :methyl 173:sc= -0.532 (180deg=-0.66) USER MOD Single : A 42 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 43 GLN : amide:sc= -1.71 K(o=-1.7,f=-1.1) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 ASN : amide:sc= -0.0134 X(o=-0.013,f=-0.35) USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 ASN : amide:sc= -7.26! C(o=-7.3!,f=-15!) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 ASN : amide:sc= -0.888 X(o=-0.89,f=-0.89) USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 82 GLN : amide:sc=-0.00228 X(o=-0.0023,f=-0.12) USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 87 SER OG : rot 42:sc= 0.2 USER MOD Single : A 88 SER OG : rot 180:sc= -0.0413 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -16.088 -4.156 -11.791 1.00 0.00 N ATOM 2 CA GLY A 1 -15.022 -4.954 -12.373 1.00 0.00 C ATOM 3 C GLY A 1 -14.173 -5.611 -11.284 1.00 0.00 C ATOM 4 O GLY A 1 -13.461 -4.928 -10.549 1.00 0.00 O ATOM 0 H1 GLY A 1 -16.650 -3.721 -12.550 1.00 0.00 H new ATOM 0 H2 GLY A 1 -16.701 -4.765 -11.212 1.00 0.00 H new ATOM 0 H3 GLY A 1 -15.677 -3.411 -11.194 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -15.448 -5.721 -13.019 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -14.392 -4.323 -13.000 1.00 0.00 H new ATOM 8 N SER A 2 -14.275 -6.930 -11.214 1.00 0.00 N ATOM 9 CA SER A 2 -13.525 -7.688 -10.226 1.00 0.00 C ATOM 10 C SER A 2 -12.605 -8.691 -10.925 1.00 0.00 C ATOM 11 O SER A 2 -13.040 -9.776 -11.307 1.00 0.00 O ATOM 12 CB SER A 2 -14.463 -8.413 -9.259 1.00 0.00 C ATOM 13 OG SER A 2 -13.765 -8.946 -8.137 1.00 0.00 O ATOM 0 H SER A 2 -14.866 -7.494 -11.825 1.00 0.00 H new ATOM 0 HA SER A 2 -12.920 -6.990 -9.647 1.00 0.00 H new ATOM 0 HB2 SER A 2 -15.232 -7.722 -8.913 1.00 0.00 H new ATOM 0 HB3 SER A 2 -14.973 -9.220 -9.785 1.00 0.00 H new ATOM 0 HG SER A 2 -14.399 -9.400 -7.543 1.00 0.00 H new ATOM 19 N SER A 3 -11.350 -8.292 -11.071 1.00 0.00 N ATOM 20 CA SER A 3 -10.365 -9.143 -11.717 1.00 0.00 C ATOM 21 C SER A 3 -8.979 -8.885 -11.121 1.00 0.00 C ATOM 22 O SER A 3 -8.628 -7.742 -10.831 1.00 0.00 O ATOM 23 CB SER A 3 -10.344 -8.912 -13.229 1.00 0.00 C ATOM 24 OG SER A 3 -11.216 -9.804 -13.917 1.00 0.00 O ATOM 0 H SER A 3 -10.993 -7.391 -10.753 1.00 0.00 H new ATOM 0 HA SER A 3 -10.642 -10.182 -11.540 1.00 0.00 H new ATOM 0 HB2 SER A 3 -10.635 -7.884 -13.443 1.00 0.00 H new ATOM 0 HB3 SER A 3 -9.327 -9.040 -13.601 1.00 0.00 H new ATOM 0 HG SER A 3 -11.966 -10.044 -13.333 1.00 0.00 H new ATOM 30 N GLY A 4 -8.230 -9.965 -10.957 1.00 0.00 N ATOM 31 CA GLY A 4 -6.891 -9.869 -10.401 1.00 0.00 C ATOM 32 C GLY A 4 -5.986 -10.970 -10.959 1.00 0.00 C ATOM 33 O GLY A 4 -5.523 -10.882 -12.095 1.00 0.00 O ATOM 0 H GLY A 4 -8.525 -10.911 -11.199 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -6.466 -8.892 -10.632 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -6.938 -9.947 -9.315 1.00 0.00 H new ATOM 37 N SER A 5 -5.761 -11.982 -10.133 1.00 0.00 N ATOM 38 CA SER A 5 -4.920 -13.098 -10.529 1.00 0.00 C ATOM 39 C SER A 5 -3.458 -12.654 -10.595 1.00 0.00 C ATOM 40 O SER A 5 -2.639 -13.080 -9.781 1.00 0.00 O ATOM 41 CB SER A 5 -5.363 -13.670 -11.877 1.00 0.00 C ATOM 42 OG SER A 5 -5.888 -14.989 -11.752 1.00 0.00 O ATOM 0 H SER A 5 -6.147 -12.052 -9.191 1.00 0.00 H new ATOM 0 HA SER A 5 -5.020 -13.884 -9.781 1.00 0.00 H new ATOM 0 HB2 SER A 5 -6.119 -13.019 -12.316 1.00 0.00 H new ATOM 0 HB3 SER A 5 -4.515 -13.681 -12.562 1.00 0.00 H new ATOM 0 HG SER A 5 -6.161 -15.317 -12.634 1.00 0.00 H new ATOM 48 N SER A 6 -3.174 -11.805 -11.571 1.00 0.00 N ATOM 49 CA SER A 6 -1.824 -11.299 -11.754 1.00 0.00 C ATOM 50 C SER A 6 -1.814 -9.775 -11.618 1.00 0.00 C ATOM 51 O SER A 6 -2.447 -9.073 -12.405 1.00 0.00 O ATOM 52 CB SER A 6 -1.259 -11.714 -13.114 1.00 0.00 C ATOM 53 OG SER A 6 -0.291 -12.753 -12.995 1.00 0.00 O ATOM 0 H SER A 6 -3.856 -11.454 -12.244 1.00 0.00 H new ATOM 0 HA SER A 6 -1.189 -11.731 -10.980 1.00 0.00 H new ATOM 0 HB2 SER A 6 -2.072 -12.048 -13.758 1.00 0.00 H new ATOM 0 HB3 SER A 6 -0.805 -10.849 -13.597 1.00 0.00 H new ATOM 0 HG SER A 6 0.044 -12.991 -13.885 1.00 0.00 H new ATOM 59 N GLY A 7 -1.088 -9.307 -10.613 1.00 0.00 N ATOM 60 CA GLY A 7 -0.987 -7.879 -10.363 1.00 0.00 C ATOM 61 C GLY A 7 -0.211 -7.601 -9.074 1.00 0.00 C ATOM 62 O GLY A 7 0.213 -8.530 -8.388 1.00 0.00 O ATOM 0 H GLY A 7 -0.564 -9.892 -9.962 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -0.490 -7.394 -11.203 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -1.985 -7.447 -10.291 1.00 0.00 H new ATOM 66 N PRO A 8 -0.044 -6.285 -8.777 1.00 0.00 N ATOM 67 CA PRO A 8 0.673 -5.872 -7.582 1.00 0.00 C ATOM 68 C PRO A 8 -0.181 -6.083 -6.330 1.00 0.00 C ATOM 69 O PRO A 8 0.349 -6.329 -5.247 1.00 0.00 O ATOM 70 CB PRO A 8 1.028 -4.414 -7.820 1.00 0.00 C ATOM 71 CG PRO A 8 0.101 -3.934 -8.925 1.00 0.00 C ATOM 72 CD PRO A 8 -0.533 -5.158 -9.566 1.00 0.00 C ATOM 0 HA PRO A 8 1.572 -6.463 -7.406 1.00 0.00 H new ATOM 0 HB2 PRO A 8 0.891 -3.826 -6.913 1.00 0.00 H new ATOM 0 HB3 PRO A 8 2.072 -4.309 -8.114 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -0.666 -3.275 -8.520 1.00 0.00 H new ATOM 0 HG3 PRO A 8 0.656 -3.359 -9.666 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -1.621 -5.099 -9.541 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -0.243 -5.252 -10.613 1.00 0.00 H new ATOM 80 N ILE A 9 -1.488 -5.979 -6.519 1.00 0.00 N ATOM 81 CA ILE A 9 -2.420 -6.155 -5.418 1.00 0.00 C ATOM 82 C ILE A 9 -2.411 -7.620 -4.978 1.00 0.00 C ATOM 83 O ILE A 9 -1.861 -7.953 -3.930 1.00 0.00 O ATOM 84 CB ILE A 9 -3.807 -5.636 -5.803 1.00 0.00 C ATOM 85 CG1 ILE A 9 -3.724 -4.218 -6.373 1.00 0.00 C ATOM 86 CG2 ILE A 9 -4.772 -5.722 -4.618 1.00 0.00 C ATOM 87 CD1 ILE A 9 -5.079 -3.768 -6.922 1.00 0.00 C ATOM 0 H ILE A 9 -1.924 -5.775 -7.418 1.00 0.00 H new ATOM 0 HA ILE A 9 -2.111 -5.562 -4.557 1.00 0.00 H new ATOM 0 HB ILE A 9 -4.205 -6.276 -6.590 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -3.395 -3.528 -5.596 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -2.977 -4.184 -7.166 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -5.751 -5.347 -4.918 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -4.863 -6.760 -4.298 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -4.390 -5.120 -3.793 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -4.992 -2.757 -7.321 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -5.393 -4.446 -7.716 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -5.818 -3.780 -6.121 1.00 0.00 H new ATOM 99 N SER A 10 -3.028 -8.455 -5.801 1.00 0.00 N ATOM 100 CA SER A 10 -3.099 -9.877 -5.509 1.00 0.00 C ATOM 101 C SER A 10 -1.759 -10.364 -4.953 1.00 0.00 C ATOM 102 O SER A 10 -1.713 -10.985 -3.892 1.00 0.00 O ATOM 103 CB SER A 10 -3.477 -10.677 -6.757 1.00 0.00 C ATOM 104 OG SER A 10 -3.098 -12.046 -6.649 1.00 0.00 O ATOM 0 H SER A 10 -3.483 -8.174 -6.670 1.00 0.00 H new ATOM 0 HA SER A 10 -3.875 -10.034 -4.760 1.00 0.00 H new ATOM 0 HB2 SER A 10 -4.553 -10.610 -6.918 1.00 0.00 H new ATOM 0 HB3 SER A 10 -2.996 -10.236 -7.630 1.00 0.00 H new ATOM 0 HG SER A 10 -2.947 -12.415 -7.544 1.00 0.00 H new ATOM 110 N ARG A 11 -0.703 -10.064 -5.693 1.00 0.00 N ATOM 111 CA ARG A 11 0.634 -10.463 -5.287 1.00 0.00 C ATOM 112 C ARG A 11 0.891 -10.055 -3.835 1.00 0.00 C ATOM 113 O ARG A 11 1.495 -10.809 -3.073 1.00 0.00 O ATOM 114 CB ARG A 11 1.696 -9.825 -6.185 1.00 0.00 C ATOM 115 CG ARG A 11 3.074 -10.438 -5.925 1.00 0.00 C ATOM 116 CD ARG A 11 3.987 -10.270 -7.141 1.00 0.00 C ATOM 117 NE ARG A 11 5.363 -9.951 -6.699 1.00 0.00 N ATOM 118 CZ ARG A 11 6.437 -9.992 -7.500 1.00 0.00 C ATOM 119 NH1 ARG A 11 6.301 -10.338 -8.787 1.00 0.00 N ATOM 120 NH2 ARG A 11 7.648 -9.686 -7.013 1.00 0.00 N ATOM 0 H ARG A 11 -0.746 -9.549 -6.572 1.00 0.00 H new ATOM 0 HA ARG A 11 0.700 -11.547 -5.381 1.00 0.00 H new ATOM 0 HB2 ARG A 11 1.424 -9.964 -7.231 1.00 0.00 H new ATOM 0 HB3 ARG A 11 1.732 -8.751 -6.005 1.00 0.00 H new ATOM 0 HG2 ARG A 11 3.529 -9.963 -5.056 1.00 0.00 H new ATOM 0 HG3 ARG A 11 2.966 -11.497 -5.690 1.00 0.00 H new ATOM 0 HD2 ARG A 11 3.989 -11.185 -7.734 1.00 0.00 H new ATOM 0 HD3 ARG A 11 3.609 -9.475 -7.783 1.00 0.00 H new ATOM 0 HE ARG A 11 5.503 -9.683 -5.725 1.00 0.00 H new ATOM 0 HH11 ARG A 11 5.380 -10.570 -9.158 1.00 0.00 H new ATOM 0 HH12 ARG A 11 7.119 -10.369 -9.396 1.00 0.00 H new ATOM 0 HH21 ARG A 11 7.752 -9.422 -6.033 1.00 0.00 H new ATOM 0 HH22 ARG A 11 8.465 -9.717 -7.622 1.00 0.00 H new ATOM 134 N LEU A 12 0.421 -8.864 -3.496 1.00 0.00 N ATOM 135 CA LEU A 12 0.593 -8.347 -2.149 1.00 0.00 C ATOM 136 C LEU A 12 -0.305 -9.130 -1.189 1.00 0.00 C ATOM 137 O LEU A 12 0.146 -9.575 -0.135 1.00 0.00 O ATOM 138 CB LEU A 12 0.355 -6.836 -2.120 1.00 0.00 C ATOM 139 CG LEU A 12 1.063 -6.067 -1.004 1.00 0.00 C ATOM 140 CD1 LEU A 12 0.256 -4.834 -0.590 1.00 0.00 C ATOM 141 CD2 LEU A 12 1.365 -6.980 0.186 1.00 0.00 C ATOM 0 H LEU A 12 -0.079 -8.242 -4.131 1.00 0.00 H new ATOM 0 HA LEU A 12 1.620 -8.490 -1.814 1.00 0.00 H new ATOM 0 HB2 LEU A 12 0.670 -6.420 -3.077 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -0.717 -6.659 -2.033 1.00 0.00 H new ATOM 0 HG LEU A 12 2.019 -5.712 -1.388 1.00 0.00 H new ATOM 0 HD11 LEU A 12 0.782 -4.305 0.205 1.00 0.00 H new ATOM 0 HD12 LEU A 12 0.136 -4.173 -1.448 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -0.725 -5.145 -0.232 1.00 0.00 H new ATOM 0 HD21 LEU A 12 1.869 -6.408 0.965 1.00 0.00 H new ATOM 0 HD22 LEU A 12 0.433 -7.386 0.579 1.00 0.00 H new ATOM 0 HD23 LEU A 12 2.009 -7.798 -0.137 1.00 0.00 H new ATOM 153 N ALA A 13 -1.560 -9.273 -1.588 1.00 0.00 N ATOM 154 CA ALA A 13 -2.526 -9.994 -0.776 1.00 0.00 C ATOM 155 C ALA A 13 -2.013 -11.413 -0.521 1.00 0.00 C ATOM 156 O ALA A 13 -2.078 -11.907 0.604 1.00 0.00 O ATOM 157 CB ALA A 13 -3.888 -9.983 -1.472 1.00 0.00 C ATOM 0 H ALA A 13 -1.931 -8.902 -2.463 1.00 0.00 H new ATOM 0 HA ALA A 13 -2.651 -9.509 0.192 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -4.612 -10.524 -0.863 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -4.221 -8.954 -1.603 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -3.803 -10.464 -2.446 1.00 0.00 H new ATOM 163 N GLN A 14 -1.514 -12.028 -1.583 1.00 0.00 N ATOM 164 CA GLN A 14 -0.991 -13.380 -1.488 1.00 0.00 C ATOM 165 C GLN A 14 0.160 -13.434 -0.482 1.00 0.00 C ATOM 166 O GLN A 14 0.381 -14.460 0.159 1.00 0.00 O ATOM 167 CB GLN A 14 -0.545 -13.892 -2.859 1.00 0.00 C ATOM 168 CG GLN A 14 -1.745 -14.098 -3.785 1.00 0.00 C ATOM 169 CD GLN A 14 -1.399 -15.054 -4.928 1.00 0.00 C ATOM 170 OE1 GLN A 14 -0.851 -16.126 -4.731 1.00 0.00 O ATOM 171 NE2 GLN A 14 -1.747 -14.607 -6.131 1.00 0.00 N ATOM 0 H GLN A 14 -1.461 -11.615 -2.514 1.00 0.00 H new ATOM 0 HA GLN A 14 -1.788 -14.034 -1.134 1.00 0.00 H new ATOM 0 HB2 GLN A 14 0.148 -13.181 -3.309 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -0.006 -14.832 -2.742 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -2.584 -14.496 -3.215 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -2.063 -13.138 -4.193 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -2.203 -13.700 -6.226 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -1.558 -15.172 -6.959 1.00 0.00 H new ATOM 180 N ILE A 15 0.863 -12.316 -0.374 1.00 0.00 N ATOM 181 CA ILE A 15 1.985 -12.223 0.544 1.00 0.00 C ATOM 182 C ILE A 15 1.459 -12.051 1.971 1.00 0.00 C ATOM 183 O ILE A 15 2.032 -12.591 2.916 1.00 0.00 O ATOM 184 CB ILE A 15 2.946 -11.116 0.105 1.00 0.00 C ATOM 185 CG1 ILE A 15 3.615 -11.466 -1.225 1.00 0.00 C ATOM 186 CG2 ILE A 15 3.971 -10.813 1.201 1.00 0.00 C ATOM 187 CD1 ILE A 15 4.132 -10.209 -1.927 1.00 0.00 C ATOM 0 H ILE A 15 0.677 -11.467 -0.907 1.00 0.00 H new ATOM 0 HA ILE A 15 2.568 -13.144 0.528 1.00 0.00 H new ATOM 0 HB ILE A 15 2.368 -10.206 -0.056 1.00 0.00 H new ATOM 0 HG12 ILE A 15 4.441 -12.155 -1.050 1.00 0.00 H new ATOM 0 HG13 ILE A 15 2.903 -11.980 -1.870 1.00 0.00 H new ATOM 0 HG21 ILE A 15 4.642 -10.023 0.863 1.00 0.00 H new ATOM 0 HG22 ILE A 15 3.453 -10.489 2.104 1.00 0.00 H new ATOM 0 HG23 ILE A 15 4.549 -11.712 1.417 1.00 0.00 H new ATOM 0 HD11 ILE A 15 4.603 -10.487 -2.870 1.00 0.00 H new ATOM 0 HD12 ILE A 15 3.300 -9.533 -2.122 1.00 0.00 H new ATOM 0 HD13 ILE A 15 4.862 -9.711 -1.290 1.00 0.00 H new ATOM 199 N GLN A 16 0.375 -11.297 2.081 1.00 0.00 N ATOM 200 CA GLN A 16 -0.234 -11.048 3.376 1.00 0.00 C ATOM 201 C GLN A 16 -0.808 -12.344 3.951 1.00 0.00 C ATOM 202 O GLN A 16 -0.759 -12.566 5.160 1.00 0.00 O ATOM 203 CB GLN A 16 -1.314 -9.968 3.275 1.00 0.00 C ATOM 204 CG GLN A 16 -0.721 -8.643 2.790 1.00 0.00 C ATOM 205 CD GLN A 16 0.643 -8.384 3.435 1.00 0.00 C ATOM 206 OE1 GLN A 16 1.621 -8.073 2.776 1.00 0.00 O ATOM 207 NE2 GLN A 16 0.652 -8.529 4.757 1.00 0.00 N ATOM 0 H GLN A 16 -0.097 -10.851 1.295 1.00 0.00 H new ATOM 0 HA GLN A 16 0.537 -10.683 4.054 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -2.096 -10.293 2.589 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -1.783 -9.826 4.248 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -0.616 -8.663 1.705 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -1.402 -7.826 3.030 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -0.203 -8.791 5.247 1.00 0.00 H new ATOM 0 HE22 GLN A 16 1.514 -8.378 5.281 1.00 0.00 H new ATOM 216 N GLN A 17 -1.338 -13.167 3.058 1.00 0.00 N ATOM 217 CA GLN A 17 -1.920 -14.435 3.462 1.00 0.00 C ATOM 218 C GLN A 17 -0.828 -15.496 3.613 1.00 0.00 C ATOM 219 O GLN A 17 -0.811 -16.240 4.593 1.00 0.00 O ATOM 220 CB GLN A 17 -2.991 -14.888 2.468 1.00 0.00 C ATOM 221 CG GLN A 17 -2.368 -15.664 1.307 1.00 0.00 C ATOM 222 CD GLN A 17 -3.440 -16.121 0.315 1.00 0.00 C ATOM 223 OE1 GLN A 17 -3.647 -17.301 0.084 1.00 0.00 O ATOM 224 NE2 GLN A 17 -4.107 -15.123 -0.258 1.00 0.00 N ATOM 0 H GLN A 17 -1.376 -12.980 2.056 1.00 0.00 H new ATOM 0 HA GLN A 17 -2.403 -14.299 4.429 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -3.723 -15.514 2.977 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -3.526 -14.020 2.084 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -1.638 -15.036 0.796 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -1.830 -16.531 1.691 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -3.883 -14.157 -0.019 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -4.842 -15.324 -0.936 1.00 0.00 H new ATOM 233 N ALA A 18 0.057 -15.533 2.628 1.00 0.00 N ATOM 234 CA ALA A 18 1.150 -16.490 2.639 1.00 0.00 C ATOM 235 C ALA A 18 2.012 -16.260 3.882 1.00 0.00 C ATOM 236 O ALA A 18 2.590 -17.201 4.423 1.00 0.00 O ATOM 237 CB ALA A 18 1.951 -16.365 1.342 1.00 0.00 C ATOM 0 H ALA A 18 0.039 -14.915 1.817 1.00 0.00 H new ATOM 0 HA ALA A 18 0.767 -17.509 2.688 1.00 0.00 H new ATOM 0 HB1 ALA A 18 2.771 -17.083 1.350 1.00 0.00 H new ATOM 0 HB2 ALA A 18 1.300 -16.567 0.491 1.00 0.00 H new ATOM 0 HB3 ALA A 18 2.353 -15.355 1.259 1.00 0.00 H new ATOM 243 N ARG A 19 2.070 -15.003 4.297 1.00 0.00 N ATOM 244 CA ARG A 19 2.852 -14.637 5.466 1.00 0.00 C ATOM 245 C ARG A 19 2.083 -14.972 6.745 1.00 0.00 C ATOM 246 O ARG A 19 2.671 -15.064 7.822 1.00 0.00 O ATOM 247 CB ARG A 19 3.189 -13.145 5.458 1.00 0.00 C ATOM 248 CG ARG A 19 4.411 -12.864 4.580 1.00 0.00 C ATOM 249 CD ARG A 19 4.759 -11.374 4.586 1.00 0.00 C ATOM 250 NE ARG A 19 6.222 -11.196 4.716 1.00 0.00 N ATOM 251 CZ ARG A 19 6.815 -10.030 5.005 1.00 0.00 C ATOM 252 NH1 ARG A 19 6.073 -8.930 5.195 1.00 0.00 N ATOM 253 NH2 ARG A 19 8.150 -9.962 5.103 1.00 0.00 N ATOM 0 H ARG A 19 1.589 -14.226 3.845 1.00 0.00 H new ATOM 0 HA ARG A 19 3.780 -15.208 5.436 1.00 0.00 H new ATOM 0 HB2 ARG A 19 2.334 -12.577 5.090 1.00 0.00 H new ATOM 0 HB3 ARG A 19 3.382 -12.807 6.476 1.00 0.00 H new ATOM 0 HG2 ARG A 19 5.262 -13.441 4.940 1.00 0.00 H new ATOM 0 HG3 ARG A 19 4.213 -13.191 3.559 1.00 0.00 H new ATOM 0 HD2 ARG A 19 4.408 -10.907 3.666 1.00 0.00 H new ATOM 0 HD3 ARG A 19 4.249 -10.876 5.411 1.00 0.00 H new ATOM 0 HE ARG A 19 6.817 -12.013 4.577 1.00 0.00 H new ATOM 0 HH11 ARG A 19 5.057 -8.981 5.120 1.00 0.00 H new ATOM 0 HH12 ARG A 19 6.524 -8.042 5.415 1.00 0.00 H new ATOM 0 HH21 ARG A 19 8.715 -10.798 4.957 1.00 0.00 H new ATOM 0 HH22 ARG A 19 8.601 -9.074 5.323 1.00 0.00 H new ATOM 267 N LYS A 20 0.779 -15.145 6.586 1.00 0.00 N ATOM 268 CA LYS A 20 -0.077 -15.468 7.715 1.00 0.00 C ATOM 269 C LYS A 20 -0.102 -14.286 8.685 1.00 0.00 C ATOM 270 O LYS A 20 -0.198 -14.474 9.897 1.00 0.00 O ATOM 271 CB LYS A 20 0.361 -16.784 8.360 1.00 0.00 C ATOM 272 CG LYS A 20 -0.089 -17.983 7.521 1.00 0.00 C ATOM 273 CD LYS A 20 -0.584 -19.122 8.414 1.00 0.00 C ATOM 274 CE LYS A 20 -0.882 -20.375 7.589 1.00 0.00 C ATOM 275 NZ LYS A 20 -2.313 -20.737 7.694 1.00 0.00 N ATOM 0 H LYS A 20 0.294 -15.068 5.692 1.00 0.00 H new ATOM 0 HA LYS A 20 -1.102 -15.629 7.382 1.00 0.00 H new ATOM 0 HB2 LYS A 20 1.446 -16.797 8.467 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -0.059 -16.859 9.363 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -0.884 -17.678 6.841 1.00 0.00 H new ATOM 0 HG3 LYS A 20 0.740 -18.333 6.906 1.00 0.00 H new ATOM 0 HD2 LYS A 20 0.168 -19.350 9.169 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -1.483 -18.809 8.944 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -0.621 -20.201 6.545 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -0.265 -21.203 7.938 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -2.498 -21.590 7.128 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -2.552 -20.923 8.689 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -2.896 -19.953 7.339 1.00 0.00 H new ATOM 289 N GLU A 21 -0.013 -13.092 8.116 1.00 0.00 N ATOM 290 CA GLU A 21 -0.024 -11.879 8.916 1.00 0.00 C ATOM 291 C GLU A 21 -1.415 -11.243 8.897 1.00 0.00 C ATOM 292 O GLU A 21 -2.135 -11.288 9.893 1.00 0.00 O ATOM 293 CB GLU A 21 1.037 -10.891 8.427 1.00 0.00 C ATOM 294 CG GLU A 21 2.442 -11.480 8.570 1.00 0.00 C ATOM 295 CD GLU A 21 2.902 -11.453 10.029 1.00 0.00 C ATOM 296 OE1 GLU A 21 3.148 -10.333 10.526 1.00 0.00 O ATOM 297 OE2 GLU A 21 2.998 -12.554 10.614 1.00 0.00 O ATOM 0 H GLU A 21 0.067 -12.939 7.111 1.00 0.00 H new ATOM 0 HA GLU A 21 0.219 -12.143 9.945 1.00 0.00 H new ATOM 0 HB2 GLU A 21 0.850 -10.637 7.384 1.00 0.00 H new ATOM 0 HB3 GLU A 21 0.967 -9.965 8.998 1.00 0.00 H new ATOM 0 HG2 GLU A 21 2.449 -12.506 8.202 1.00 0.00 H new ATOM 0 HG3 GLU A 21 3.142 -10.915 7.954 1.00 0.00 H new ATOM 304 N LYS A 22 -1.752 -10.666 7.753 1.00 0.00 N ATOM 305 CA LYS A 22 -3.044 -10.022 7.591 1.00 0.00 C ATOM 306 C LYS A 22 -3.056 -9.235 6.280 1.00 0.00 C ATOM 307 O LYS A 22 -2.109 -8.510 5.978 1.00 0.00 O ATOM 308 CB LYS A 22 -3.378 -9.175 8.821 1.00 0.00 C ATOM 309 CG LYS A 22 -4.616 -9.715 9.539 1.00 0.00 C ATOM 310 CD LYS A 22 -5.302 -8.616 10.353 1.00 0.00 C ATOM 311 CE LYS A 22 -5.737 -9.138 11.723 1.00 0.00 C ATOM 312 NZ LYS A 22 -4.772 -8.724 12.766 1.00 0.00 N ATOM 0 H LYS A 22 -1.152 -10.631 6.929 1.00 0.00 H new ATOM 0 HA LYS A 22 -3.836 -10.768 7.522 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -2.529 -9.171 9.505 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -3.550 -8.142 8.520 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -5.316 -10.122 8.809 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -4.330 -10.535 10.198 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -4.621 -7.774 10.480 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -6.170 -8.244 9.809 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -6.729 -8.757 11.965 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -5.810 -10.225 11.698 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -5.083 -9.087 13.690 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -3.832 -9.108 12.541 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -4.722 -7.686 12.801 1.00 0.00 H new ATOM 326 N GLU A 23 -4.139 -9.403 5.536 1.00 0.00 N ATOM 327 CA GLU A 23 -4.287 -8.716 4.263 1.00 0.00 C ATOM 328 C GLU A 23 -3.824 -7.264 4.387 1.00 0.00 C ATOM 329 O GLU A 23 -3.758 -6.721 5.489 1.00 0.00 O ATOM 330 CB GLU A 23 -5.732 -8.790 3.765 1.00 0.00 C ATOM 331 CG GLU A 23 -5.990 -10.105 3.026 1.00 0.00 C ATOM 332 CD GLU A 23 -7.393 -10.124 2.415 1.00 0.00 C ATOM 333 OE1 GLU A 23 -7.655 -9.242 1.568 1.00 0.00 O ATOM 334 OE2 GLU A 23 -8.171 -11.019 2.808 1.00 0.00 O ATOM 0 H GLU A 23 -4.923 -10.005 5.790 1.00 0.00 H new ATOM 0 HA GLU A 23 -3.658 -9.216 3.527 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -6.416 -8.703 4.609 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -5.935 -7.950 3.101 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -5.246 -10.237 2.241 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -5.878 -10.942 3.715 1.00 0.00 H new ATOM 341 N PRO A 24 -3.507 -6.659 3.211 1.00 0.00 N ATOM 342 CA PRO A 24 -3.051 -5.280 3.177 1.00 0.00 C ATOM 343 C PRO A 24 -4.215 -4.312 3.400 1.00 0.00 C ATOM 344 O PRO A 24 -5.348 -4.600 3.018 1.00 0.00 O ATOM 345 CB PRO A 24 -2.395 -5.115 1.816 1.00 0.00 C ATOM 346 CG PRO A 24 -2.914 -6.260 0.962 1.00 0.00 C ATOM 347 CD PRO A 24 -3.573 -7.271 1.887 1.00 0.00 C ATOM 0 HA PRO A 24 -2.345 -5.051 3.975 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -2.649 -4.152 1.374 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -1.309 -5.151 1.899 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -3.629 -5.893 0.226 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -2.097 -6.724 0.409 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -4.604 -7.465 1.591 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -3.050 -8.227 1.866 1.00 0.00 H new ATOM 355 N ASP A 25 -3.896 -3.185 4.018 1.00 0.00 N ATOM 356 CA ASP A 25 -4.901 -2.173 4.296 1.00 0.00 C ATOM 357 C ASP A 25 -4.710 -0.994 3.340 1.00 0.00 C ATOM 358 O ASP A 25 -3.820 -0.168 3.538 1.00 0.00 O ATOM 359 CB ASP A 25 -4.772 -1.647 5.727 1.00 0.00 C ATOM 360 CG ASP A 25 -6.046 -1.743 6.569 1.00 0.00 C ATOM 361 OD1 ASP A 25 -7.003 -2.380 6.079 1.00 0.00 O ATOM 362 OD2 ASP A 25 -6.034 -1.176 7.683 1.00 0.00 O ATOM 0 H ASP A 25 -2.955 -2.950 4.334 1.00 0.00 H new ATOM 0 HA ASP A 25 -5.883 -2.629 4.166 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -3.979 -2.200 6.231 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -4.458 -0.604 5.688 1.00 0.00 H new ATOM 367 N TYR A 26 -5.561 -0.953 2.325 1.00 0.00 N ATOM 368 CA TYR A 26 -5.497 0.111 1.338 1.00 0.00 C ATOM 369 C TYR A 26 -6.350 1.307 1.765 1.00 0.00 C ATOM 370 O TYR A 26 -7.486 1.138 2.204 1.00 0.00 O ATOM 371 CB TYR A 26 -6.073 -0.475 0.048 1.00 0.00 C ATOM 372 CG TYR A 26 -5.126 -1.436 -0.676 1.00 0.00 C ATOM 373 CD1 TYR A 26 -4.097 -0.938 -1.450 1.00 0.00 C ATOM 374 CD2 TYR A 26 -5.301 -2.799 -0.555 1.00 0.00 C ATOM 375 CE1 TYR A 26 -3.207 -1.842 -2.131 1.00 0.00 C ATOM 376 CE2 TYR A 26 -4.411 -3.703 -1.236 1.00 0.00 C ATOM 377 CZ TYR A 26 -3.407 -3.179 -1.990 1.00 0.00 C ATOM 378 OH TYR A 26 -2.566 -4.033 -2.634 1.00 0.00 O ATOM 0 H TYR A 26 -6.298 -1.639 2.165 1.00 0.00 H new ATOM 0 HA TYR A 26 -4.472 0.461 1.217 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -6.999 -1.001 0.281 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -6.331 0.341 -0.626 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -3.960 0.129 -1.545 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -6.106 -3.188 0.051 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -2.398 -1.466 -2.740 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -4.537 -4.772 -1.150 1.00 0.00 H new ATOM 0 HH TYR A 26 -2.669 -4.935 -2.264 1.00 0.00 H new ATOM 388 N ILE A 27 -5.768 2.489 1.622 1.00 0.00 N ATOM 389 CA ILE A 27 -6.461 3.713 1.988 1.00 0.00 C ATOM 390 C ILE A 27 -6.318 4.733 0.856 1.00 0.00 C ATOM 391 O ILE A 27 -5.509 4.548 -0.052 1.00 0.00 O ATOM 392 CB ILE A 27 -5.966 4.224 3.342 1.00 0.00 C ATOM 393 CG1 ILE A 27 -5.835 3.078 4.346 1.00 0.00 C ATOM 394 CG2 ILE A 27 -6.865 5.346 3.866 1.00 0.00 C ATOM 395 CD1 ILE A 27 -4.376 2.641 4.493 1.00 0.00 C ATOM 0 H ILE A 27 -4.825 2.625 1.258 1.00 0.00 H new ATOM 0 HA ILE A 27 -7.527 3.524 2.115 1.00 0.00 H new ATOM 0 HB ILE A 27 -4.971 4.646 3.205 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -6.223 3.392 5.315 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -6.440 2.233 4.019 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -6.491 5.692 4.830 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -6.863 6.175 3.158 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -7.882 4.972 3.984 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -4.311 1.825 5.213 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -3.998 2.304 3.528 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -3.778 3.482 4.843 1.00 0.00 H new ATOM 407 N LEU A 28 -7.116 5.786 0.947 1.00 0.00 N ATOM 408 CA LEU A 28 -7.089 6.835 -0.058 1.00 0.00 C ATOM 409 C LEU A 28 -6.505 8.109 0.556 1.00 0.00 C ATOM 410 O LEU A 28 -7.123 8.723 1.425 1.00 0.00 O ATOM 411 CB LEU A 28 -8.478 7.028 -0.670 1.00 0.00 C ATOM 412 CG LEU A 28 -8.554 7.956 -1.884 1.00 0.00 C ATOM 413 CD1 LEU A 28 -8.159 9.385 -1.506 1.00 0.00 C ATOM 414 CD2 LEU A 28 -7.711 7.416 -3.041 1.00 0.00 C ATOM 0 H LEU A 28 -7.786 5.936 1.702 1.00 0.00 H new ATOM 0 HA LEU A 28 -6.438 6.552 -0.886 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -8.864 6.051 -0.960 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -9.142 7.417 0.102 1.00 0.00 H new ATOM 0 HG LEU A 28 -9.588 7.987 -2.226 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -8.221 10.025 -2.386 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -8.836 9.758 -0.738 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -7.138 9.391 -1.124 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -7.783 8.095 -3.891 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -6.670 7.337 -2.727 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -8.079 6.432 -3.331 1.00 0.00 H new ATOM 426 N LEU A 29 -5.322 8.469 0.081 1.00 0.00 N ATOM 427 CA LEU A 29 -4.648 9.659 0.573 1.00 0.00 C ATOM 428 C LEU A 29 -5.402 10.901 0.093 1.00 0.00 C ATOM 429 O LEU A 29 -5.905 11.677 0.904 1.00 0.00 O ATOM 430 CB LEU A 29 -3.172 9.642 0.173 1.00 0.00 C ATOM 431 CG LEU A 29 -2.272 8.695 0.970 1.00 0.00 C ATOM 432 CD1 LEU A 29 -0.805 9.120 0.871 1.00 0.00 C ATOM 433 CD2 LEU A 29 -2.740 8.586 2.422 1.00 0.00 C ATOM 0 H LEU A 29 -4.813 7.958 -0.640 1.00 0.00 H new ATOM 0 HA LEU A 29 -4.658 9.681 1.663 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -3.105 9.374 -0.881 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -2.778 10.654 0.270 1.00 0.00 H new ATOM 0 HG LEU A 29 -2.350 7.700 0.531 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -0.187 8.431 1.446 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -0.491 9.104 -0.173 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -0.691 10.128 1.269 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -2.083 7.907 2.966 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -2.711 9.571 2.889 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -3.760 8.202 2.448 1.00 0.00 H new ATOM 445 N SER A 30 -5.455 11.050 -1.222 1.00 0.00 N ATOM 446 CA SER A 30 -6.138 12.185 -1.819 1.00 0.00 C ATOM 447 C SER A 30 -6.305 11.963 -3.324 1.00 0.00 C ATOM 448 O SER A 30 -6.013 10.881 -3.831 1.00 0.00 O ATOM 449 CB SER A 30 -5.378 13.486 -1.557 1.00 0.00 C ATOM 450 OG SER A 30 -5.861 14.163 -0.399 1.00 0.00 O ATOM 0 H SER A 30 -5.036 10.404 -1.891 1.00 0.00 H new ATOM 0 HA SER A 30 -7.122 12.272 -1.359 1.00 0.00 H new ATOM 0 HB2 SER A 30 -4.317 13.268 -1.433 1.00 0.00 H new ATOM 0 HB3 SER A 30 -5.470 14.140 -2.424 1.00 0.00 H new ATOM 0 HG SER A 30 -6.000 13.516 0.324 1.00 0.00 H new ATOM 456 N GLU A 31 -6.774 13.004 -3.995 1.00 0.00 N ATOM 457 CA GLU A 31 -6.984 12.936 -5.432 1.00 0.00 C ATOM 458 C GLU A 31 -6.867 14.330 -6.052 1.00 0.00 C ATOM 459 O GLU A 31 -7.614 15.238 -5.691 1.00 0.00 O ATOM 460 CB GLU A 31 -8.337 12.302 -5.759 1.00 0.00 C ATOM 461 CG GLU A 31 -9.487 13.159 -5.227 1.00 0.00 C ATOM 462 CD GLU A 31 -10.824 12.427 -5.361 1.00 0.00 C ATOM 463 OE1 GLU A 31 -11.349 12.407 -6.495 1.00 0.00 O ATOM 464 OE2 GLU A 31 -11.291 11.904 -4.326 1.00 0.00 O ATOM 0 H GLU A 31 -7.015 13.900 -3.571 1.00 0.00 H new ATOM 0 HA GLU A 31 -6.209 12.302 -5.863 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -8.436 12.184 -6.838 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -8.390 11.304 -5.323 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -9.307 13.406 -4.181 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -9.527 14.100 -5.775 1.00 0.00 H new ATOM 471 N ARG A 32 -5.924 14.455 -6.974 1.00 0.00 N ATOM 472 CA ARG A 32 -5.700 15.723 -7.647 1.00 0.00 C ATOM 473 C ARG A 32 -4.918 15.504 -8.944 1.00 0.00 C ATOM 474 O ARG A 32 -4.690 14.366 -9.351 1.00 0.00 O ATOM 475 CB ARG A 32 -4.927 16.693 -6.752 1.00 0.00 C ATOM 476 CG ARG A 32 -5.879 17.644 -6.024 1.00 0.00 C ATOM 477 CD ARG A 32 -5.925 17.333 -4.526 1.00 0.00 C ATOM 478 NE ARG A 32 -5.634 18.557 -3.746 1.00 0.00 N ATOM 479 CZ ARG A 32 -6.513 19.549 -3.549 1.00 0.00 C ATOM 480 NH1 ARG A 32 -7.743 19.468 -4.074 1.00 0.00 N ATOM 481 NH2 ARG A 32 -6.161 20.622 -2.827 1.00 0.00 N ATOM 0 H ARG A 32 -5.306 13.699 -7.271 1.00 0.00 H new ATOM 0 HA ARG A 32 -6.675 16.155 -7.874 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -4.340 16.133 -6.024 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -4.224 17.268 -7.355 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -5.556 18.674 -6.176 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -6.879 17.558 -6.448 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -6.907 16.945 -4.257 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -5.199 16.557 -4.285 1.00 0.00 H new ATOM 0 HE ARG A 32 -4.706 18.651 -3.333 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -8.010 18.651 -4.624 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -8.412 20.223 -3.924 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -5.224 20.683 -2.428 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -6.830 21.377 -2.677 1.00 0.00 H new ATOM 495 N GLY A 33 -4.530 16.612 -9.558 1.00 0.00 N ATOM 496 CA GLY A 33 -3.779 16.556 -10.801 1.00 0.00 C ATOM 497 C GLY A 33 -4.561 17.206 -11.944 1.00 0.00 C ATOM 498 O GLY A 33 -5.035 18.333 -11.814 1.00 0.00 O ATOM 0 H GLY A 33 -4.722 17.554 -9.218 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -2.823 17.064 -10.675 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -3.559 15.518 -11.050 1.00 0.00 H new ATOM 502 N MET A 34 -4.671 16.467 -13.038 1.00 0.00 N ATOM 503 CA MET A 34 -5.387 16.958 -14.203 1.00 0.00 C ATOM 504 C MET A 34 -6.753 16.281 -14.333 1.00 0.00 C ATOM 505 O MET A 34 -6.937 15.154 -13.875 1.00 0.00 O ATOM 506 CB MET A 34 -4.561 16.686 -15.462 1.00 0.00 C ATOM 507 CG MET A 34 -3.823 17.947 -15.917 1.00 0.00 C ATOM 508 SD MET A 34 -4.467 18.498 -17.488 1.00 0.00 S ATOM 509 CE MET A 34 -3.902 17.169 -18.538 1.00 0.00 C ATOM 0 H MET A 34 -4.276 15.532 -13.142 1.00 0.00 H new ATOM 0 HA MET A 34 -5.544 18.030 -14.084 1.00 0.00 H new ATOM 0 HB2 MET A 34 -3.842 15.891 -15.265 1.00 0.00 H new ATOM 0 HB3 MET A 34 -5.214 16.334 -16.261 1.00 0.00 H new ATOM 0 HG2 MET A 34 -3.937 18.734 -15.172 1.00 0.00 H new ATOM 0 HG3 MET A 34 -2.756 17.742 -16.004 1.00 0.00 H new ATOM 0 HE1 MET A 34 -4.324 17.289 -19.536 1.00 0.00 H new ATOM 0 HE2 MET A 34 -2.814 17.191 -18.599 1.00 0.00 H new ATOM 0 HE3 MET A 34 -4.223 16.214 -18.121 1.00 0.00 H new ATOM 519 N PRO A 35 -7.700 17.016 -14.975 1.00 0.00 N ATOM 520 CA PRO A 35 -9.044 16.498 -15.170 1.00 0.00 C ATOM 521 C PRO A 35 -9.068 15.439 -16.273 1.00 0.00 C ATOM 522 O PRO A 35 -10.118 14.871 -16.570 1.00 0.00 O ATOM 523 CB PRO A 35 -9.891 17.717 -15.498 1.00 0.00 C ATOM 524 CG PRO A 35 -8.915 18.799 -15.930 1.00 0.00 C ATOM 525 CD PRO A 35 -7.518 18.354 -15.530 1.00 0.00 C ATOM 0 HA PRO A 35 -9.430 15.987 -14.288 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -10.604 17.495 -16.292 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -10.469 18.036 -14.631 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -8.972 18.956 -17.007 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -9.163 19.749 -15.456 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -6.846 18.339 -16.388 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -7.082 19.031 -14.796 1.00 0.00 H new ATOM 533 N ARG A 36 -7.899 15.205 -16.851 1.00 0.00 N ATOM 534 CA ARG A 36 -7.773 14.223 -17.915 1.00 0.00 C ATOM 535 C ARG A 36 -7.159 12.931 -17.375 1.00 0.00 C ATOM 536 O ARG A 36 -7.685 11.844 -17.610 1.00 0.00 O ATOM 537 CB ARG A 36 -6.903 14.756 -19.055 1.00 0.00 C ATOM 538 CG ARG A 36 -7.759 15.148 -20.261 1.00 0.00 C ATOM 539 CD ARG A 36 -7.125 16.309 -21.030 1.00 0.00 C ATOM 540 NE ARG A 36 -8.177 17.223 -21.526 1.00 0.00 N ATOM 541 CZ ARG A 36 -8.977 16.954 -22.568 1.00 0.00 C ATOM 542 NH1 ARG A 36 -8.848 15.795 -23.229 1.00 0.00 N ATOM 543 NH2 ARG A 36 -9.904 17.843 -22.948 1.00 0.00 N ATOM 0 H ARG A 36 -7.030 15.679 -16.603 1.00 0.00 H new ATOM 0 HA ARG A 36 -8.773 14.020 -18.300 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -6.336 15.621 -18.711 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -6.179 13.997 -19.350 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -7.876 14.290 -20.923 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -8.757 15.431 -19.926 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -6.436 16.852 -20.382 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -6.541 15.926 -21.867 1.00 0.00 H new ATOM 0 HE ARG A 36 -8.302 18.114 -21.045 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -8.142 15.119 -22.939 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -9.456 15.590 -24.022 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -10.001 18.725 -22.445 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -10.512 17.638 -23.741 1.00 0.00 H new ATOM 557 N ARG A 37 -6.054 13.091 -16.661 1.00 0.00 N ATOM 558 CA ARG A 37 -5.363 11.950 -16.086 1.00 0.00 C ATOM 559 C ARG A 37 -5.843 11.705 -14.654 1.00 0.00 C ATOM 560 O ARG A 37 -5.865 10.566 -14.189 1.00 0.00 O ATOM 561 CB ARG A 37 -3.849 12.171 -16.078 1.00 0.00 C ATOM 562 CG ARG A 37 -3.487 13.466 -15.347 1.00 0.00 C ATOM 563 CD ARG A 37 -2.549 13.188 -14.170 1.00 0.00 C ATOM 564 NE ARG A 37 -1.243 12.703 -14.668 1.00 0.00 N ATOM 565 CZ ARG A 37 -0.297 13.495 -15.190 1.00 0.00 C ATOM 566 NH1 ARG A 37 -0.506 14.815 -15.287 1.00 0.00 N ATOM 567 NH2 ARG A 37 0.859 12.967 -15.616 1.00 0.00 N ATOM 0 H ARG A 37 -5.620 13.994 -16.468 1.00 0.00 H new ATOM 0 HA ARG A 37 -5.589 11.080 -16.702 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -3.357 11.327 -15.595 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -3.479 12.212 -17.102 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -3.010 14.158 -16.041 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -4.395 13.950 -14.987 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -2.409 14.096 -13.583 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -2.994 12.445 -13.507 1.00 0.00 H new ATOM 0 HE ARG A 37 -1.051 11.703 -14.610 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -1.386 15.217 -14.963 1.00 0.00 H new ATOM 0 HH12 ARG A 37 0.215 15.418 -15.685 1.00 0.00 H new ATOM 0 HH21 ARG A 37 1.018 11.962 -15.543 1.00 0.00 H new ATOM 0 HH22 ARG A 37 1.579 13.570 -16.013 1.00 0.00 H new ATOM 581 N ARG A 38 -6.217 12.792 -13.995 1.00 0.00 N ATOM 582 CA ARG A 38 -6.696 12.709 -12.626 1.00 0.00 C ATOM 583 C ARG A 38 -5.791 11.791 -11.801 1.00 0.00 C ATOM 584 O ARG A 38 -5.958 10.572 -11.816 1.00 0.00 O ATOM 585 CB ARG A 38 -8.130 12.179 -12.575 1.00 0.00 C ATOM 586 CG ARG A 38 -9.141 13.320 -12.705 1.00 0.00 C ATOM 587 CD ARG A 38 -9.142 14.197 -11.452 1.00 0.00 C ATOM 588 NE ARG A 38 -10.511 14.690 -11.181 1.00 0.00 N ATOM 589 CZ ARG A 38 -10.939 15.097 -9.978 1.00 0.00 C ATOM 590 NH1 ARG A 38 -10.107 15.072 -8.928 1.00 0.00 N ATOM 591 NH2 ARG A 38 -12.198 15.529 -9.825 1.00 0.00 N ATOM 0 H ARG A 38 -6.198 13.735 -14.384 1.00 0.00 H new ATOM 0 HA ARG A 38 -6.677 13.715 -12.207 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -8.284 11.459 -13.378 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -8.293 11.649 -11.636 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -8.900 13.927 -13.578 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -10.138 12.910 -12.867 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -8.776 13.626 -10.598 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -8.463 15.039 -11.587 1.00 0.00 H new ATOM 0 HE ARG A 38 -11.170 14.722 -11.959 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -9.148 14.743 -9.045 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -10.432 15.382 -8.012 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -12.831 15.548 -10.624 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -12.523 15.839 -8.909 1.00 0.00 H new ATOM 605 N GLU A 39 -4.852 12.411 -11.102 1.00 0.00 N ATOM 606 CA GLU A 39 -3.920 11.665 -10.273 1.00 0.00 C ATOM 607 C GLU A 39 -4.554 11.346 -8.918 1.00 0.00 C ATOM 608 O GLU A 39 -5.099 12.230 -8.260 1.00 0.00 O ATOM 609 CB GLU A 39 -2.608 12.431 -10.098 1.00 0.00 C ATOM 610 CG GLU A 39 -1.422 11.470 -9.986 1.00 0.00 C ATOM 611 CD GLU A 39 -0.950 11.019 -11.370 1.00 0.00 C ATOM 612 OE1 GLU A 39 -0.880 11.895 -12.259 1.00 0.00 O ATOM 613 OE2 GLU A 39 -0.669 9.809 -11.507 1.00 0.00 O ATOM 0 H GLU A 39 -4.716 13.422 -11.092 1.00 0.00 H new ATOM 0 HA GLU A 39 -3.689 10.725 -10.775 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -2.459 13.101 -10.944 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -2.662 13.053 -9.204 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -0.602 11.958 -9.459 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -1.708 10.601 -9.394 1.00 0.00 H new ATOM 620 N PHE A 40 -4.461 10.079 -8.541 1.00 0.00 N ATOM 621 CA PHE A 40 -5.019 9.632 -7.276 1.00 0.00 C ATOM 622 C PHE A 40 -3.940 8.999 -6.395 1.00 0.00 C ATOM 623 O PHE A 40 -3.194 8.131 -6.847 1.00 0.00 O ATOM 624 CB PHE A 40 -6.078 8.577 -7.602 1.00 0.00 C ATOM 625 CG PHE A 40 -7.463 9.157 -7.897 1.00 0.00 C ATOM 626 CD1 PHE A 40 -8.288 9.501 -6.872 1.00 0.00 C ATOM 627 CD2 PHE A 40 -7.869 9.327 -9.184 1.00 0.00 C ATOM 628 CE1 PHE A 40 -9.574 10.039 -7.146 1.00 0.00 C ATOM 629 CE2 PHE A 40 -9.154 9.865 -9.457 1.00 0.00 C ATOM 630 CZ PHE A 40 -9.980 10.210 -8.433 1.00 0.00 C ATOM 0 H PHE A 40 -4.008 9.348 -9.089 1.00 0.00 H new ATOM 0 HA PHE A 40 -5.442 10.479 -6.735 1.00 0.00 H new ATOM 0 HB2 PHE A 40 -5.746 7.998 -8.464 1.00 0.00 H new ATOM 0 HB3 PHE A 40 -6.156 7.884 -6.764 1.00 0.00 H new ATOM 0 HD1 PHE A 40 -7.966 9.365 -5.850 1.00 0.00 H new ATOM 0 HD2 PHE A 40 -7.214 9.053 -9.998 1.00 0.00 H new ATOM 0 HE1 PHE A 40 -10.229 10.312 -6.332 1.00 0.00 H new ATOM 0 HE2 PHE A 40 -9.476 10.001 -10.479 1.00 0.00 H new ATOM 0 HZ PHE A 40 -10.957 10.619 -8.642 1.00 0.00 H new ATOM 640 N VAL A 41 -3.892 9.457 -5.152 1.00 0.00 N ATOM 641 CA VAL A 41 -2.917 8.946 -4.204 1.00 0.00 C ATOM 642 C VAL A 41 -3.545 7.809 -3.396 1.00 0.00 C ATOM 643 O VAL A 41 -4.632 7.964 -2.841 1.00 0.00 O ATOM 644 CB VAL A 41 -2.394 10.085 -3.326 1.00 0.00 C ATOM 645 CG1 VAL A 41 -1.140 9.657 -2.562 1.00 0.00 C ATOM 646 CG2 VAL A 41 -2.127 11.340 -4.159 1.00 0.00 C ATOM 0 H VAL A 41 -4.513 10.176 -4.780 1.00 0.00 H new ATOM 0 HA VAL A 41 -2.054 8.535 -4.728 1.00 0.00 H new ATOM 0 HB VAL A 41 -3.165 10.326 -2.595 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -0.789 10.485 -1.946 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -1.375 8.805 -1.925 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -0.361 9.376 -3.270 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -1.756 12.134 -3.511 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -1.382 11.118 -4.923 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -3.052 11.663 -4.637 1.00 0.00 H new ATOM 656 N MET A 42 -2.834 6.692 -3.355 1.00 0.00 N ATOM 657 CA MET A 42 -3.309 5.529 -2.624 1.00 0.00 C ATOM 658 C MET A 42 -2.263 5.051 -1.615 1.00 0.00 C ATOM 659 O MET A 42 -1.068 5.046 -1.909 1.00 0.00 O ATOM 660 CB MET A 42 -3.622 4.400 -3.608 1.00 0.00 C ATOM 661 CG MET A 42 -4.848 3.603 -3.156 1.00 0.00 C ATOM 662 SD MET A 42 -6.271 4.676 -3.058 1.00 0.00 S ATOM 663 CE MET A 42 -7.567 3.458 -2.907 1.00 0.00 C ATOM 0 H MET A 42 -1.933 6.567 -3.816 1.00 0.00 H new ATOM 0 HA MET A 42 -4.211 5.809 -2.080 1.00 0.00 H new ATOM 0 HB2 MET A 42 -3.800 4.816 -4.600 1.00 0.00 H new ATOM 0 HB3 MET A 42 -2.762 3.736 -3.690 1.00 0.00 H new ATOM 0 HG2 MET A 42 -5.042 2.791 -3.856 1.00 0.00 H new ATOM 0 HG3 MET A 42 -4.658 3.148 -2.184 1.00 0.00 H new ATOM 0 HE1 MET A 42 -8.532 3.960 -2.834 1.00 0.00 H new ATOM 0 HE2 MET A 42 -7.561 2.809 -3.783 1.00 0.00 H new ATOM 0 HE3 MET A 42 -7.401 2.859 -2.011 1.00 0.00 H new ATOM 673 N GLN A 43 -2.749 4.662 -0.445 1.00 0.00 N ATOM 674 CA GLN A 43 -1.871 4.184 0.609 1.00 0.00 C ATOM 675 C GLN A 43 -2.126 2.700 0.879 1.00 0.00 C ATOM 676 O GLN A 43 -3.213 2.193 0.607 1.00 0.00 O ATOM 677 CB GLN A 43 -2.045 5.011 1.884 1.00 0.00 C ATOM 678 CG GLN A 43 -0.791 4.942 2.758 1.00 0.00 C ATOM 679 CD GLN A 43 -0.899 5.895 3.949 1.00 0.00 C ATOM 680 OE1 GLN A 43 -0.055 6.748 4.173 1.00 0.00 O ATOM 681 NE2 GLN A 43 -1.981 5.705 4.699 1.00 0.00 N ATOM 0 H GLN A 43 -3.740 4.668 -0.204 1.00 0.00 H new ATOM 0 HA GLN A 43 -0.839 4.301 0.277 1.00 0.00 H new ATOM 0 HB2 GLN A 43 -2.254 6.048 1.623 1.00 0.00 H new ATOM 0 HB3 GLN A 43 -2.904 4.644 2.445 1.00 0.00 H new ATOM 0 HG2 GLN A 43 -0.649 3.922 3.116 1.00 0.00 H new ATOM 0 HG3 GLN A 43 0.086 5.196 2.163 1.00 0.00 H new ATOM 0 HE21 GLN A 43 -2.648 4.973 4.456 1.00 0.00 H new ATOM 0 HE22 GLN A 43 -2.144 6.291 5.518 1.00 0.00 H new ATOM 690 N VAL A 44 -1.105 2.044 1.412 1.00 0.00 N ATOM 691 CA VAL A 44 -1.205 0.628 1.723 1.00 0.00 C ATOM 692 C VAL A 44 -0.468 0.345 3.033 1.00 0.00 C ATOM 693 O VAL A 44 0.684 0.740 3.200 1.00 0.00 O ATOM 694 CB VAL A 44 -0.680 -0.202 0.550 1.00 0.00 C ATOM 695 CG1 VAL A 44 0.835 -0.050 0.405 1.00 0.00 C ATOM 696 CG2 VAL A 44 -1.071 -1.674 0.702 1.00 0.00 C ATOM 0 H VAL A 44 -0.204 2.467 1.636 1.00 0.00 H new ATOM 0 HA VAL A 44 -2.246 0.340 1.868 1.00 0.00 H new ATOM 0 HB VAL A 44 -1.143 0.176 -0.361 1.00 0.00 H new ATOM 0 HG11 VAL A 44 1.182 -0.650 -0.436 1.00 0.00 H new ATOM 0 HG12 VAL A 44 1.080 0.997 0.229 1.00 0.00 H new ATOM 0 HG13 VAL A 44 1.324 -0.389 1.319 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -0.686 -2.242 -0.145 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -0.649 -2.069 1.626 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -2.157 -1.761 0.733 1.00 0.00 H new ATOM 706 N LYS A 45 -1.165 -0.338 3.931 1.00 0.00 N ATOM 707 CA LYS A 45 -0.591 -0.679 5.221 1.00 0.00 C ATOM 708 C LYS A 45 -0.498 -2.201 5.347 1.00 0.00 C ATOM 709 O LYS A 45 -1.515 -2.892 5.330 1.00 0.00 O ATOM 710 CB LYS A 45 -1.382 -0.016 6.351 1.00 0.00 C ATOM 711 CG LYS A 45 -0.463 0.363 7.514 1.00 0.00 C ATOM 712 CD LYS A 45 -1.276 0.793 8.737 1.00 0.00 C ATOM 713 CE LYS A 45 -1.323 2.318 8.855 1.00 0.00 C ATOM 714 NZ LYS A 45 -2.426 2.734 9.751 1.00 0.00 N ATOM 0 H LYS A 45 -2.121 -0.664 3.790 1.00 0.00 H new ATOM 0 HA LYS A 45 0.424 -0.289 5.301 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -1.884 0.875 5.974 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -2.159 -0.695 6.703 1.00 0.00 H new ATOM 0 HG2 LYS A 45 0.170 -0.486 7.774 1.00 0.00 H new ATOM 0 HG3 LYS A 45 0.199 1.173 7.210 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -2.289 0.399 8.661 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -0.835 0.368 9.639 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -0.373 2.688 9.241 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -1.461 2.761 7.869 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -2.444 3.772 9.820 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -3.332 2.397 9.367 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -2.278 2.326 10.696 1.00 0.00 H new ATOM 728 N VAL A 46 0.732 -2.678 5.470 1.00 0.00 N ATOM 729 CA VAL A 46 0.971 -4.105 5.599 1.00 0.00 C ATOM 730 C VAL A 46 1.762 -4.372 6.881 1.00 0.00 C ATOM 731 O VAL A 46 2.938 -4.024 6.973 1.00 0.00 O ATOM 732 CB VAL A 46 1.670 -4.634 4.344 1.00 0.00 C ATOM 733 CG1 VAL A 46 2.516 -5.867 4.667 1.00 0.00 C ATOM 734 CG2 VAL A 46 0.658 -4.937 3.239 1.00 0.00 C ATOM 0 H VAL A 46 1.573 -2.102 5.483 1.00 0.00 H new ATOM 0 HA VAL A 46 0.027 -4.644 5.681 1.00 0.00 H new ATOM 0 HB VAL A 46 2.339 -3.855 3.979 1.00 0.00 H new ATOM 0 HG11 VAL A 46 3.002 -6.223 3.759 1.00 0.00 H new ATOM 0 HG12 VAL A 46 3.274 -5.605 5.405 1.00 0.00 H new ATOM 0 HG13 VAL A 46 1.876 -6.653 5.068 1.00 0.00 H new ATOM 0 HG21 VAL A 46 1.181 -5.311 2.359 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -0.048 -5.690 3.589 1.00 0.00 H new ATOM 0 HG23 VAL A 46 0.118 -4.026 2.980 1.00 0.00 H new ATOM 744 N GLY A 47 1.085 -4.987 7.839 1.00 0.00 N ATOM 745 CA GLY A 47 1.709 -5.305 9.112 1.00 0.00 C ATOM 746 C GLY A 47 2.240 -4.041 9.792 1.00 0.00 C ATOM 747 O GLY A 47 1.464 -3.225 10.285 1.00 0.00 O ATOM 0 H GLY A 47 0.109 -5.274 7.759 1.00 0.00 H new ATOM 0 HA2 GLY A 47 0.986 -5.796 9.763 1.00 0.00 H new ATOM 0 HA3 GLY A 47 2.526 -6.009 8.955 1.00 0.00 H new ATOM 751 N ASN A 48 3.559 -3.920 9.797 1.00 0.00 N ATOM 752 CA ASN A 48 4.203 -2.770 10.409 1.00 0.00 C ATOM 753 C ASN A 48 4.886 -1.936 9.323 1.00 0.00 C ATOM 754 O ASN A 48 5.859 -1.235 9.594 1.00 0.00 O ATOM 755 CB ASN A 48 5.273 -3.207 11.412 1.00 0.00 C ATOM 756 CG ASN A 48 4.698 -4.191 12.433 1.00 0.00 C ATOM 757 OD1 ASN A 48 4.452 -5.351 12.144 1.00 0.00 O ATOM 758 ND2 ASN A 48 4.500 -3.666 13.638 1.00 0.00 N ATOM 0 H ASN A 48 4.200 -4.599 9.387 1.00 0.00 H new ATOM 0 HA ASN A 48 3.438 -2.191 10.927 1.00 0.00 H new ATOM 0 HB2 ASN A 48 6.105 -3.671 10.883 1.00 0.00 H new ATOM 0 HB3 ASN A 48 5.671 -2.333 11.928 1.00 0.00 H new ATOM 0 HD21 ASN A 48 4.120 -4.242 14.389 1.00 0.00 H new ATOM 0 HD22 ASN A 48 4.728 -2.687 13.812 1.00 0.00 H new ATOM 765 N GLU A 49 4.348 -2.040 8.116 1.00 0.00 N ATOM 766 CA GLU A 49 4.893 -1.303 6.988 1.00 0.00 C ATOM 767 C GLU A 49 3.778 -0.559 6.252 1.00 0.00 C ATOM 768 O GLU A 49 2.610 -0.932 6.347 1.00 0.00 O ATOM 769 CB GLU A 49 5.650 -2.235 6.040 1.00 0.00 C ATOM 770 CG GLU A 49 7.079 -2.476 6.532 1.00 0.00 C ATOM 771 CD GLU A 49 7.136 -3.672 7.485 1.00 0.00 C ATOM 772 OE1 GLU A 49 6.726 -4.768 7.046 1.00 0.00 O ATOM 773 OE2 GLU A 49 7.589 -3.462 8.631 1.00 0.00 O ATOM 0 H GLU A 49 3.541 -2.623 7.895 1.00 0.00 H new ATOM 0 HA GLU A 49 5.604 -0.568 7.367 1.00 0.00 H new ATOM 0 HB2 GLU A 49 5.123 -3.186 5.962 1.00 0.00 H new ATOM 0 HB3 GLU A 49 5.674 -1.801 5.040 1.00 0.00 H new ATOM 0 HG2 GLU A 49 7.736 -2.653 5.680 1.00 0.00 H new ATOM 0 HG3 GLU A 49 7.448 -1.584 7.039 1.00 0.00 H new ATOM 780 N VAL A 50 4.178 0.480 5.533 1.00 0.00 N ATOM 781 CA VAL A 50 3.227 1.280 4.781 1.00 0.00 C ATOM 782 C VAL A 50 3.861 1.704 3.454 1.00 0.00 C ATOM 783 O VAL A 50 5.079 1.850 3.363 1.00 0.00 O ATOM 784 CB VAL A 50 2.758 2.467 5.625 1.00 0.00 C ATOM 785 CG1 VAL A 50 3.479 3.752 5.214 1.00 0.00 C ATOM 786 CG2 VAL A 50 1.240 2.637 5.535 1.00 0.00 C ATOM 0 H VAL A 50 5.148 0.786 5.456 1.00 0.00 H new ATOM 0 HA VAL A 50 2.338 0.695 4.545 1.00 0.00 H new ATOM 0 HB VAL A 50 3.011 2.260 6.665 1.00 0.00 H new ATOM 0 HG11 VAL A 50 3.127 4.580 5.830 1.00 0.00 H new ATOM 0 HG12 VAL A 50 4.553 3.627 5.354 1.00 0.00 H new ATOM 0 HG13 VAL A 50 3.272 3.966 4.165 1.00 0.00 H new ATOM 0 HG21 VAL A 50 0.932 3.487 6.144 1.00 0.00 H new ATOM 0 HG22 VAL A 50 0.954 2.811 4.498 1.00 0.00 H new ATOM 0 HG23 VAL A 50 0.750 1.734 5.899 1.00 0.00 H new ATOM 796 N ALA A 51 3.006 1.891 2.460 1.00 0.00 N ATOM 797 CA ALA A 51 3.467 2.295 1.142 1.00 0.00 C ATOM 798 C ALA A 51 2.393 3.155 0.473 1.00 0.00 C ATOM 799 O ALA A 51 1.265 3.235 0.957 1.00 0.00 O ATOM 800 CB ALA A 51 3.816 1.053 0.320 1.00 0.00 C ATOM 0 H ALA A 51 1.996 1.770 2.540 1.00 0.00 H new ATOM 0 HA ALA A 51 4.371 2.898 1.220 1.00 0.00 H new ATOM 0 HB1 ALA A 51 4.162 1.356 -0.668 1.00 0.00 H new ATOM 0 HB2 ALA A 51 4.604 0.493 0.824 1.00 0.00 H new ATOM 0 HB3 ALA A 51 2.932 0.424 0.218 1.00 0.00 H new ATOM 806 N THR A 52 2.782 3.777 -0.631 1.00 0.00 N ATOM 807 CA THR A 52 1.866 4.629 -1.372 1.00 0.00 C ATOM 808 C THR A 52 2.035 4.410 -2.877 1.00 0.00 C ATOM 809 O THR A 52 3.077 3.934 -3.326 1.00 0.00 O ATOM 810 CB THR A 52 2.109 6.075 -0.937 1.00 0.00 C ATOM 811 OG1 THR A 52 3.523 6.159 -0.782 1.00 0.00 O ATOM 812 CG2 THR A 52 1.563 6.365 0.463 1.00 0.00 C ATOM 0 H THR A 52 3.718 3.708 -1.030 1.00 0.00 H new ATOM 0 HA THR A 52 0.828 4.379 -1.153 1.00 0.00 H new ATOM 0 HB THR A 52 1.646 6.752 -1.655 1.00 0.00 H new ATOM 0 HG1 THR A 52 3.768 7.066 -0.502 1.00 0.00 H new ATOM 0 HG21 THR A 52 1.762 7.405 0.723 1.00 0.00 H new ATOM 0 HG22 THR A 52 0.488 6.186 0.478 1.00 0.00 H new ATOM 0 HG23 THR A 52 2.050 5.711 1.186 1.00 0.00 H new ATOM 820 N GLY A 53 0.994 4.768 -3.614 1.00 0.00 N ATOM 821 CA GLY A 53 1.014 4.617 -5.059 1.00 0.00 C ATOM 822 C GLY A 53 0.110 5.653 -5.731 1.00 0.00 C ATOM 823 O GLY A 53 -0.879 6.092 -5.146 1.00 0.00 O ATOM 0 H GLY A 53 0.132 5.162 -3.238 1.00 0.00 H new ATOM 0 HA2 GLY A 53 2.035 4.727 -5.426 1.00 0.00 H new ATOM 0 HA3 GLY A 53 0.685 3.613 -5.328 1.00 0.00 H new ATOM 827 N THR A 54 0.483 6.014 -6.950 1.00 0.00 N ATOM 828 CA THR A 54 -0.281 6.990 -7.708 1.00 0.00 C ATOM 829 C THR A 54 -0.577 6.462 -9.113 1.00 0.00 C ATOM 830 O THR A 54 0.041 5.497 -9.560 1.00 0.00 O ATOM 831 CB THR A 54 0.498 8.307 -7.706 1.00 0.00 C ATOM 832 OG1 THR A 54 1.846 7.912 -7.946 1.00 0.00 O ATOM 833 CG2 THR A 54 0.542 8.959 -6.322 1.00 0.00 C ATOM 0 H THR A 54 1.304 5.648 -7.432 1.00 0.00 H new ATOM 0 HA THR A 54 -1.254 7.171 -7.251 1.00 0.00 H new ATOM 0 HB THR A 54 0.046 8.997 -8.418 1.00 0.00 H new ATOM 0 HG1 THR A 54 2.421 8.705 -7.963 1.00 0.00 H new ATOM 0 HG21 THR A 54 1.106 9.890 -6.376 1.00 0.00 H new ATOM 0 HG22 THR A 54 -0.474 9.169 -5.986 1.00 0.00 H new ATOM 0 HG23 THR A 54 1.025 8.283 -5.616 1.00 0.00 H new ATOM 841 N GLY A 55 -1.522 7.118 -9.770 1.00 0.00 N ATOM 842 CA GLY A 55 -1.908 6.726 -11.116 1.00 0.00 C ATOM 843 C GLY A 55 -2.998 7.649 -11.664 1.00 0.00 C ATOM 844 O GLY A 55 -3.428 8.580 -10.985 1.00 0.00 O ATOM 0 H GLY A 55 -2.032 7.918 -9.396 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -1.037 6.756 -11.771 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -2.267 5.697 -11.110 1.00 0.00 H new ATOM 848 N PRO A 56 -3.424 7.351 -12.921 1.00 0.00 N ATOM 849 CA PRO A 56 -4.456 8.143 -13.568 1.00 0.00 C ATOM 850 C PRO A 56 -5.836 7.826 -12.987 1.00 0.00 C ATOM 851 O PRO A 56 -6.807 8.527 -13.268 1.00 0.00 O ATOM 852 CB PRO A 56 -4.342 7.805 -15.046 1.00 0.00 C ATOM 853 CG PRO A 56 -3.569 6.498 -15.116 1.00 0.00 C ATOM 854 CD PRO A 56 -2.938 6.256 -13.755 1.00 0.00 C ATOM 0 HA PRO A 56 -4.328 9.213 -13.406 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -5.327 7.701 -15.500 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -3.823 8.595 -15.589 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -4.233 5.675 -15.380 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -2.802 6.549 -15.889 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -3.232 5.288 -13.349 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -1.850 6.258 -13.817 1.00 0.00 H new ATOM 862 N ASN A 57 -5.878 6.770 -12.189 1.00 0.00 N ATOM 863 CA ASN A 57 -7.123 6.352 -11.566 1.00 0.00 C ATOM 864 C ASN A 57 -6.812 5.591 -10.276 1.00 0.00 C ATOM 865 O ASN A 57 -5.756 4.972 -10.155 1.00 0.00 O ATOM 866 CB ASN A 57 -7.913 5.420 -12.486 1.00 0.00 C ATOM 867 CG ASN A 57 -7.038 4.910 -13.633 1.00 0.00 C ATOM 868 OD1 ASN A 57 -6.415 5.668 -14.358 1.00 0.00 O ATOM 869 ND2 ASN A 57 -7.025 3.586 -13.756 1.00 0.00 N ATOM 0 H ASN A 57 -5.070 6.191 -11.959 1.00 0.00 H new ATOM 0 HA ASN A 57 -7.715 7.244 -11.362 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -8.295 4.576 -11.913 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -8.777 5.948 -12.890 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -6.470 3.148 -14.491 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -7.570 3.009 -13.115 1.00 0.00 H new ATOM 876 N LYS A 58 -7.751 5.662 -9.343 1.00 0.00 N ATOM 877 CA LYS A 58 -7.590 4.988 -8.067 1.00 0.00 C ATOM 878 C LYS A 58 -7.075 3.567 -8.306 1.00 0.00 C ATOM 879 O LYS A 58 -6.153 3.115 -7.630 1.00 0.00 O ATOM 880 CB LYS A 58 -8.892 5.042 -7.264 1.00 0.00 C ATOM 881 CG LYS A 58 -8.663 5.677 -5.891 1.00 0.00 C ATOM 882 CD LYS A 58 -9.567 6.895 -5.693 1.00 0.00 C ATOM 883 CE LYS A 58 -10.699 6.584 -4.712 1.00 0.00 C ATOM 884 NZ LYS A 58 -11.674 7.697 -4.676 1.00 0.00 N ATOM 0 H LYS A 58 -8.626 6.176 -9.446 1.00 0.00 H new ATOM 0 HA LYS A 58 -6.845 5.500 -7.458 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -9.639 5.615 -7.814 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -9.290 4.035 -7.141 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -8.859 4.943 -5.110 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -7.619 5.975 -5.794 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -8.978 7.733 -5.320 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -9.986 7.201 -6.652 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -11.201 5.662 -5.007 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -10.289 6.419 -3.715 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -12.436 7.470 -4.005 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -11.195 8.569 -4.373 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -12.078 7.836 -5.624 1.00 0.00 H new ATOM 898 N LYS A 59 -7.693 2.903 -9.272 1.00 0.00 N ATOM 899 CA LYS A 59 -7.308 1.543 -9.609 1.00 0.00 C ATOM 900 C LYS A 59 -5.783 1.456 -9.699 1.00 0.00 C ATOM 901 O LYS A 59 -5.142 0.843 -8.847 1.00 0.00 O ATOM 902 CB LYS A 59 -8.026 1.083 -10.880 1.00 0.00 C ATOM 903 CG LYS A 59 -9.276 0.270 -10.539 1.00 0.00 C ATOM 904 CD LYS A 59 -10.356 1.159 -9.919 1.00 0.00 C ATOM 905 CE LYS A 59 -11.163 0.391 -8.870 1.00 0.00 C ATOM 906 NZ LYS A 59 -12.372 -0.205 -9.481 1.00 0.00 N ATOM 0 H LYS A 59 -8.457 3.281 -9.832 1.00 0.00 H new ATOM 0 HA LYS A 59 -7.621 0.853 -8.825 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -8.304 1.950 -11.479 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -7.350 0.480 -11.486 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -9.663 -0.204 -11.441 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -9.016 -0.530 -9.846 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -9.893 2.032 -9.459 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -11.023 1.525 -10.700 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -10.546 -0.393 -8.430 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -11.450 1.062 -8.061 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -12.908 -0.723 -8.756 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -12.967 0.549 -9.880 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -12.091 -0.861 -10.238 1.00 0.00 H new ATOM 920 N ILE A 60 -5.247 2.079 -10.738 1.00 0.00 N ATOM 921 CA ILE A 60 -3.809 2.080 -10.950 1.00 0.00 C ATOM 922 C ILE A 60 -3.110 2.539 -9.669 1.00 0.00 C ATOM 923 O ILE A 60 -2.134 1.927 -9.237 1.00 0.00 O ATOM 924 CB ILE A 60 -3.450 2.915 -12.181 1.00 0.00 C ATOM 925 CG1 ILE A 60 -4.057 2.312 -13.449 1.00 0.00 C ATOM 926 CG2 ILE A 60 -1.935 3.092 -12.299 1.00 0.00 C ATOM 927 CD1 ILE A 60 -4.153 3.359 -14.562 1.00 0.00 C ATOM 0 H ILE A 60 -5.782 2.587 -11.442 1.00 0.00 H new ATOM 0 HA ILE A 60 -3.454 1.072 -11.163 1.00 0.00 H new ATOM 0 HB ILE A 60 -3.882 3.908 -12.059 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -3.447 1.473 -13.785 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -5.049 1.917 -13.230 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -1.706 3.689 -13.182 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -1.558 3.598 -11.411 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -1.460 2.115 -12.389 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -4.588 2.905 -15.452 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -4.783 4.185 -14.231 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -3.157 3.734 -14.796 1.00 0.00 H new ATOM 939 N ALA A 61 -3.636 3.612 -9.098 1.00 0.00 N ATOM 940 CA ALA A 61 -3.074 4.160 -7.875 1.00 0.00 C ATOM 941 C ALA A 61 -2.839 3.027 -6.874 1.00 0.00 C ATOM 942 O ALA A 61 -1.709 2.794 -6.449 1.00 0.00 O ATOM 943 CB ALA A 61 -4.006 5.241 -7.324 1.00 0.00 C ATOM 0 H ALA A 61 -4.445 4.117 -9.459 1.00 0.00 H new ATOM 0 HA ALA A 61 -2.111 4.630 -8.073 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -3.584 5.652 -6.407 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -4.116 6.037 -8.061 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -4.982 4.806 -7.111 1.00 0.00 H new ATOM 949 N LYS A 62 -3.925 2.352 -6.528 1.00 0.00 N ATOM 950 CA LYS A 62 -3.852 1.249 -5.585 1.00 0.00 C ATOM 951 C LYS A 62 -2.743 0.288 -6.016 1.00 0.00 C ATOM 952 O LYS A 62 -1.859 -0.041 -5.227 1.00 0.00 O ATOM 953 CB LYS A 62 -5.220 0.582 -5.433 1.00 0.00 C ATOM 954 CG LYS A 62 -5.339 -0.124 -4.081 1.00 0.00 C ATOM 955 CD LYS A 62 -5.461 -1.638 -4.261 1.00 0.00 C ATOM 956 CE LYS A 62 -6.882 -2.029 -4.674 1.00 0.00 C ATOM 957 NZ LYS A 62 -7.598 -2.652 -3.539 1.00 0.00 N ATOM 0 H LYS A 62 -4.861 2.548 -6.884 1.00 0.00 H new ATOM 0 HA LYS A 62 -3.590 1.614 -4.592 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -6.006 1.331 -5.526 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -5.369 -0.138 -6.238 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -4.466 0.104 -3.470 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -6.210 0.253 -3.545 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -4.753 -1.976 -5.017 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -5.198 -2.141 -3.330 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -7.424 -1.147 -5.014 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -6.845 -2.723 -5.514 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -8.560 -2.911 -3.836 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -7.088 -3.505 -3.233 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -7.649 -1.978 -2.749 1.00 0.00 H new ATOM 971 N LYS A 63 -2.825 -0.136 -7.269 1.00 0.00 N ATOM 972 CA LYS A 63 -1.839 -1.053 -7.815 1.00 0.00 C ATOM 973 C LYS A 63 -0.435 -0.519 -7.523 1.00 0.00 C ATOM 974 O LYS A 63 0.441 -1.268 -7.095 1.00 0.00 O ATOM 975 CB LYS A 63 -2.106 -1.303 -9.301 1.00 0.00 C ATOM 976 CG LYS A 63 -3.138 -2.415 -9.494 1.00 0.00 C ATOM 977 CD LYS A 63 -3.952 -2.193 -10.770 1.00 0.00 C ATOM 978 CE LYS A 63 -5.325 -1.599 -10.449 1.00 0.00 C ATOM 979 NZ LYS A 63 -6.401 -2.458 -10.992 1.00 0.00 N ATOM 0 H LYS A 63 -3.559 0.139 -7.922 1.00 0.00 H new ATOM 0 HA LYS A 63 -1.916 -2.027 -7.333 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -2.463 -0.386 -9.769 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -1.176 -1.575 -9.800 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -2.633 -3.380 -9.544 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -3.806 -2.449 -8.634 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -3.410 -1.525 -11.439 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -4.075 -3.140 -11.296 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -5.441 -1.499 -9.370 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -5.403 -0.598 -10.872 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -7.326 -2.041 -10.765 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -6.298 -2.532 -12.024 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -6.336 -3.406 -10.568 1.00 0.00 H new ATOM 993 N ASN A 64 -0.266 0.772 -7.767 1.00 0.00 N ATOM 994 CA ASN A 64 1.017 1.415 -7.535 1.00 0.00 C ATOM 995 C ASN A 64 1.371 1.317 -6.050 1.00 0.00 C ATOM 996 O ASN A 64 2.543 1.215 -5.693 1.00 0.00 O ATOM 997 CB ASN A 64 0.966 2.897 -7.913 1.00 0.00 C ATOM 998 CG ASN A 64 1.536 3.126 -9.314 1.00 0.00 C ATOM 999 OD1 ASN A 64 2.675 3.526 -9.491 1.00 0.00 O ATOM 1000 ND2 ASN A 64 0.683 2.850 -10.297 1.00 0.00 N ATOM 0 H ASN A 64 -0.995 1.390 -8.123 1.00 0.00 H new ATOM 0 HA ASN A 64 1.763 0.911 -8.150 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -0.064 3.251 -7.874 1.00 0.00 H new ATOM 0 HB3 ASN A 64 1.531 3.481 -7.187 1.00 0.00 H new ATOM 0 HD21 ASN A 64 0.969 2.970 -11.269 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -0.257 2.518 -10.079 1.00 0.00 H new ATOM 1007 N ALA A 65 0.335 1.352 -5.224 1.00 0.00 N ATOM 1008 CA ALA A 65 0.522 1.269 -3.786 1.00 0.00 C ATOM 1009 C ALA A 65 1.101 -0.102 -3.430 1.00 0.00 C ATOM 1010 O ALA A 65 2.080 -0.193 -2.691 1.00 0.00 O ATOM 1011 CB ALA A 65 -0.809 1.541 -3.081 1.00 0.00 C ATOM 0 H ALA A 65 -0.636 1.437 -5.524 1.00 0.00 H new ATOM 0 HA ALA A 65 1.231 2.025 -3.447 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -0.669 1.479 -2.002 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -1.163 2.538 -3.344 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -1.545 0.800 -3.394 1.00 0.00 H new ATOM 1017 N ALA A 66 0.470 -1.134 -3.971 1.00 0.00 N ATOM 1018 CA ALA A 66 0.910 -2.496 -3.719 1.00 0.00 C ATOM 1019 C ALA A 66 2.316 -2.686 -4.291 1.00 0.00 C ATOM 1020 O ALA A 66 3.168 -3.310 -3.660 1.00 0.00 O ATOM 1021 CB ALA A 66 -0.100 -3.477 -4.316 1.00 0.00 C ATOM 0 H ALA A 66 -0.342 -1.054 -4.583 1.00 0.00 H new ATOM 0 HA ALA A 66 0.960 -2.692 -2.648 1.00 0.00 H new ATOM 0 HB1 ALA A 66 0.230 -4.499 -4.127 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -1.076 -3.320 -3.856 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -0.175 -3.313 -5.391 1.00 0.00 H new ATOM 1027 N GLU A 67 2.516 -2.138 -5.481 1.00 0.00 N ATOM 1028 CA GLU A 67 3.804 -2.240 -6.145 1.00 0.00 C ATOM 1029 C GLU A 67 4.905 -1.652 -5.261 1.00 0.00 C ATOM 1030 O GLU A 67 5.945 -2.278 -5.058 1.00 0.00 O ATOM 1031 CB GLU A 67 3.772 -1.553 -7.512 1.00 0.00 C ATOM 1032 CG GLU A 67 4.961 -1.988 -8.372 1.00 0.00 C ATOM 1033 CD GLU A 67 5.175 -1.023 -9.540 1.00 0.00 C ATOM 1034 OE1 GLU A 67 5.723 0.070 -9.280 1.00 0.00 O ATOM 1035 OE2 GLU A 67 4.785 -1.400 -10.666 1.00 0.00 O ATOM 0 H GLU A 67 1.807 -1.622 -6.002 1.00 0.00 H new ATOM 0 HA GLU A 67 4.023 -3.295 -6.310 1.00 0.00 H new ATOM 0 HB2 GLU A 67 2.841 -1.796 -8.023 1.00 0.00 H new ATOM 0 HB3 GLU A 67 3.791 -0.471 -7.380 1.00 0.00 H new ATOM 0 HG2 GLU A 67 5.862 -2.029 -7.760 1.00 0.00 H new ATOM 0 HG3 GLU A 67 4.789 -2.994 -8.754 1.00 0.00 H new ATOM 1042 N ALA A 68 4.640 -0.455 -4.759 1.00 0.00 N ATOM 1043 CA ALA A 68 5.596 0.226 -3.901 1.00 0.00 C ATOM 1044 C ALA A 68 5.887 -0.646 -2.678 1.00 0.00 C ATOM 1045 O ALA A 68 7.038 -0.777 -2.264 1.00 0.00 O ATOM 1046 CB ALA A 68 5.050 1.603 -3.520 1.00 0.00 C ATOM 0 H ALA A 68 3.777 0.061 -4.930 1.00 0.00 H new ATOM 0 HA ALA A 68 6.539 0.384 -4.425 1.00 0.00 H new ATOM 0 HB1 ALA A 68 5.767 2.113 -2.877 1.00 0.00 H new ATOM 0 HB2 ALA A 68 4.888 2.193 -4.422 1.00 0.00 H new ATOM 0 HB3 ALA A 68 4.105 1.486 -2.989 1.00 0.00 H new ATOM 1052 N MET A 69 4.824 -1.219 -2.133 1.00 0.00 N ATOM 1053 CA MET A 69 4.951 -2.074 -0.965 1.00 0.00 C ATOM 1054 C MET A 69 5.864 -3.267 -1.255 1.00 0.00 C ATOM 1055 O MET A 69 6.853 -3.481 -0.556 1.00 0.00 O ATOM 1056 CB MET A 69 3.567 -2.579 -0.549 1.00 0.00 C ATOM 1057 CG MET A 69 3.681 -3.684 0.503 1.00 0.00 C ATOM 1058 SD MET A 69 4.634 -3.104 1.897 1.00 0.00 S ATOM 1059 CE MET A 69 3.402 -2.114 2.725 1.00 0.00 C ATOM 0 H MET A 69 3.871 -1.108 -2.479 1.00 0.00 H new ATOM 0 HA MET A 69 5.393 -1.491 -0.157 1.00 0.00 H new ATOM 0 HB2 MET A 69 2.979 -1.752 -0.151 1.00 0.00 H new ATOM 0 HB3 MET A 69 3.036 -2.957 -1.423 1.00 0.00 H new ATOM 0 HG2 MET A 69 2.687 -3.988 0.832 1.00 0.00 H new ATOM 0 HG3 MET A 69 4.156 -4.564 0.068 1.00 0.00 H new ATOM 0 HE1 MET A 69 3.654 -2.028 3.782 1.00 0.00 H new ATOM 0 HE2 MET A 69 3.372 -1.121 2.277 1.00 0.00 H new ATOM 0 HE3 MET A 69 2.426 -2.587 2.622 1.00 0.00 H new ATOM 1069 N LEU A 70 5.500 -4.012 -2.288 1.00 0.00 N ATOM 1070 CA LEU A 70 6.274 -5.178 -2.680 1.00 0.00 C ATOM 1071 C LEU A 70 7.736 -4.771 -2.877 1.00 0.00 C ATOM 1072 O LEU A 70 8.645 -5.485 -2.457 1.00 0.00 O ATOM 1073 CB LEU A 70 5.651 -5.847 -3.906 1.00 0.00 C ATOM 1074 CG LEU A 70 4.162 -6.182 -3.804 1.00 0.00 C ATOM 1075 CD1 LEU A 70 3.476 -6.052 -5.166 1.00 0.00 C ATOM 1076 CD2 LEU A 70 3.952 -7.566 -3.186 1.00 0.00 C ATOM 0 H LEU A 70 4.679 -3.831 -2.866 1.00 0.00 H new ATOM 0 HA LEU A 70 6.256 -5.931 -1.892 1.00 0.00 H new ATOM 0 HB2 LEU A 70 5.798 -5.193 -4.766 1.00 0.00 H new ATOM 0 HB3 LEU A 70 6.197 -6.768 -4.109 1.00 0.00 H new ATOM 0 HG LEU A 70 3.694 -5.458 -3.137 1.00 0.00 H new ATOM 0 HD11 LEU A 70 2.418 -6.296 -5.065 1.00 0.00 H new ATOM 0 HD12 LEU A 70 3.580 -5.030 -5.530 1.00 0.00 H new ATOM 0 HD13 LEU A 70 3.941 -6.738 -5.874 1.00 0.00 H new ATOM 0 HD21 LEU A 70 2.885 -7.779 -3.125 1.00 0.00 H new ATOM 0 HD22 LEU A 70 4.438 -8.319 -3.807 1.00 0.00 H new ATOM 0 HD23 LEU A 70 4.384 -7.587 -2.185 1.00 0.00 H new ATOM 1088 N LEU A 71 7.917 -3.625 -3.516 1.00 0.00 N ATOM 1089 CA LEU A 71 9.252 -3.114 -3.774 1.00 0.00 C ATOM 1090 C LEU A 71 9.921 -2.753 -2.446 1.00 0.00 C ATOM 1091 O LEU A 71 11.114 -2.992 -2.263 1.00 0.00 O ATOM 1092 CB LEU A 71 9.200 -1.955 -4.771 1.00 0.00 C ATOM 1093 CG LEU A 71 9.442 -2.319 -6.237 1.00 0.00 C ATOM 1094 CD1 LEU A 71 8.392 -1.674 -7.144 1.00 0.00 C ATOM 1095 CD2 LEU A 71 10.867 -1.959 -6.664 1.00 0.00 C ATOM 0 H LEU A 71 7.161 -3.035 -3.863 1.00 0.00 H new ATOM 0 HA LEU A 71 9.868 -3.880 -4.244 1.00 0.00 H new ATOM 0 HB2 LEU A 71 8.223 -1.478 -4.692 1.00 0.00 H new ATOM 0 HB3 LEU A 71 9.942 -1.213 -4.474 1.00 0.00 H new ATOM 0 HG LEU A 71 9.337 -3.399 -6.341 1.00 0.00 H new ATOM 0 HD11 LEU A 71 8.588 -1.949 -8.180 1.00 0.00 H new ATOM 0 HD12 LEU A 71 7.400 -2.023 -6.857 1.00 0.00 H new ATOM 0 HD13 LEU A 71 8.439 -0.590 -7.041 1.00 0.00 H new ATOM 0 HD21 LEU A 71 11.012 -2.228 -7.710 1.00 0.00 H new ATOM 0 HD22 LEU A 71 11.024 -0.888 -6.540 1.00 0.00 H new ATOM 0 HD23 LEU A 71 11.581 -2.504 -6.047 1.00 0.00 H new ATOM 1107 N GLN A 72 9.124 -2.185 -1.554 1.00 0.00 N ATOM 1108 CA GLN A 72 9.623 -1.789 -0.248 1.00 0.00 C ATOM 1109 C GLN A 72 9.879 -3.023 0.619 1.00 0.00 C ATOM 1110 O GLN A 72 10.701 -2.985 1.533 1.00 0.00 O ATOM 1111 CB GLN A 72 8.655 -0.826 0.440 1.00 0.00 C ATOM 1112 CG GLN A 72 7.937 -1.510 1.606 1.00 0.00 C ATOM 1113 CD GLN A 72 6.950 -0.554 2.279 1.00 0.00 C ATOM 1114 OE1 GLN A 72 5.757 -0.571 2.023 1.00 0.00 O ATOM 1115 NE2 GLN A 72 7.512 0.278 3.151 1.00 0.00 N ATOM 0 H GLN A 72 8.135 -1.989 -1.710 1.00 0.00 H new ATOM 0 HA GLN A 72 10.568 -1.264 -0.386 1.00 0.00 H new ATOM 0 HB2 GLN A 72 9.200 0.045 0.804 1.00 0.00 H new ATOM 0 HB3 GLN A 72 7.922 -0.464 -0.281 1.00 0.00 H new ATOM 0 HG2 GLN A 72 7.406 -2.391 1.245 1.00 0.00 H new ATOM 0 HG3 GLN A 72 8.669 -1.856 2.336 1.00 0.00 H new ATOM 0 HE21 GLN A 72 8.517 0.239 3.318 1.00 0.00 H new ATOM 0 HE22 GLN A 72 6.938 0.955 3.653 1.00 0.00 H new ATOM 1124 N LEU A 73 9.159 -4.089 0.302 1.00 0.00 N ATOM 1125 CA LEU A 73 9.297 -5.333 1.040 1.00 0.00 C ATOM 1126 C LEU A 73 10.575 -6.046 0.594 1.00 0.00 C ATOM 1127 O LEU A 73 11.192 -6.768 1.376 1.00 0.00 O ATOM 1128 CB LEU A 73 8.035 -6.185 0.897 1.00 0.00 C ATOM 1129 CG LEU A 73 6.791 -5.670 1.624 1.00 0.00 C ATOM 1130 CD1 LEU A 73 5.590 -6.583 1.371 1.00 0.00 C ATOM 1131 CD2 LEU A 73 7.067 -5.486 3.118 1.00 0.00 C ATOM 0 H LEU A 73 8.478 -4.117 -0.457 1.00 0.00 H new ATOM 0 HA LEU A 73 9.398 -5.134 2.107 1.00 0.00 H new ATOM 0 HB2 LEU A 73 7.800 -6.275 -0.164 1.00 0.00 H new ATOM 0 HB3 LEU A 73 8.255 -7.188 1.261 1.00 0.00 H new ATOM 0 HG LEU A 73 6.540 -4.690 1.219 1.00 0.00 H new ATOM 0 HD11 LEU A 73 4.720 -6.194 1.899 1.00 0.00 H new ATOM 0 HD12 LEU A 73 5.380 -6.620 0.302 1.00 0.00 H new ATOM 0 HD13 LEU A 73 5.814 -7.587 1.731 1.00 0.00 H new ATOM 0 HD21 LEU A 73 6.167 -5.119 3.612 1.00 0.00 H new ATOM 0 HD22 LEU A 73 7.357 -6.442 3.555 1.00 0.00 H new ATOM 0 HD23 LEU A 73 7.874 -4.766 3.253 1.00 0.00 H new ATOM 1143 N GLY A 74 10.934 -5.820 -0.661 1.00 0.00 N ATOM 1144 CA GLY A 74 12.127 -6.433 -1.220 1.00 0.00 C ATOM 1145 C GLY A 74 11.768 -7.648 -2.078 1.00 0.00 C ATOM 1146 O GLY A 74 12.504 -8.633 -2.104 1.00 0.00 O ATOM 0 H GLY A 74 10.420 -5.221 -1.307 1.00 0.00 H new ATOM 0 HA2 GLY A 74 12.666 -5.703 -1.824 1.00 0.00 H new ATOM 0 HA3 GLY A 74 12.796 -6.737 -0.415 1.00 0.00 H new ATOM 1150 N TYR A 75 10.638 -7.537 -2.761 1.00 0.00 N ATOM 1151 CA TYR A 75 10.173 -8.615 -3.618 1.00 0.00 C ATOM 1152 C TYR A 75 10.374 -8.266 -5.094 1.00 0.00 C ATOM 1153 O TYR A 75 10.271 -9.134 -5.960 1.00 0.00 O ATOM 1154 CB TYR A 75 8.676 -8.759 -3.339 1.00 0.00 C ATOM 1155 CG TYR A 75 8.353 -9.483 -2.031 1.00 0.00 C ATOM 1156 CD1 TYR A 75 8.907 -9.046 -0.845 1.00 0.00 C ATOM 1157 CD2 TYR A 75 7.509 -10.575 -2.036 1.00 0.00 C ATOM 1158 CE1 TYR A 75 8.603 -9.727 0.387 1.00 0.00 C ATOM 1159 CE2 TYR A 75 7.205 -11.257 -0.805 1.00 0.00 C ATOM 1160 CZ TYR A 75 7.767 -10.799 0.346 1.00 0.00 C ATOM 1161 OH TYR A 75 7.481 -11.443 1.509 1.00 0.00 O ATOM 0 H TYR A 75 10.031 -6.718 -2.739 1.00 0.00 H new ATOM 0 HA TYR A 75 10.726 -9.533 -3.416 1.00 0.00 H new ATOM 0 HB2 TYR A 75 8.225 -7.767 -3.314 1.00 0.00 H new ATOM 0 HB3 TYR A 75 8.213 -9.299 -4.165 1.00 0.00 H new ATOM 0 HD1 TYR A 75 9.569 -8.193 -0.841 1.00 0.00 H new ATOM 0 HD2 TYR A 75 7.076 -10.918 -2.964 1.00 0.00 H new ATOM 0 HE1 TYR A 75 9.029 -9.394 1.322 1.00 0.00 H new ATOM 0 HE2 TYR A 75 6.546 -12.113 -0.796 1.00 0.00 H new ATOM 0 HH TYR A 75 6.871 -12.188 1.329 1.00 0.00 H new ATOM 1171 N LYS A 76 10.656 -6.994 -5.336 1.00 0.00 N ATOM 1172 CA LYS A 76 10.872 -6.520 -6.692 1.00 0.00 C ATOM 1173 C LYS A 76 12.026 -5.515 -6.699 1.00 0.00 C ATOM 1174 O LYS A 76 12.099 -4.655 -7.575 1.00 0.00 O ATOM 1175 CB LYS A 76 9.572 -5.968 -7.280 1.00 0.00 C ATOM 1176 CG LYS A 76 8.889 -7.007 -8.172 1.00 0.00 C ATOM 1177 CD LYS A 76 8.705 -6.473 -9.594 1.00 0.00 C ATOM 1178 CE LYS A 76 7.260 -6.652 -10.064 1.00 0.00 C ATOM 1179 NZ LYS A 76 7.174 -7.730 -11.075 1.00 0.00 N ATOM 0 H LYS A 76 10.740 -6.277 -4.615 1.00 0.00 H new ATOM 0 HA LYS A 76 11.164 -7.345 -7.342 1.00 0.00 H new ATOM 0 HB2 LYS A 76 8.899 -5.677 -6.474 1.00 0.00 H new ATOM 0 HB3 LYS A 76 9.783 -5.069 -7.859 1.00 0.00 H new ATOM 0 HG2 LYS A 76 9.486 -7.919 -8.197 1.00 0.00 H new ATOM 0 HG3 LYS A 76 7.919 -7.272 -7.751 1.00 0.00 H new ATOM 0 HD2 LYS A 76 8.974 -5.417 -9.627 1.00 0.00 H new ATOM 0 HD3 LYS A 76 9.379 -6.995 -10.273 1.00 0.00 H new ATOM 0 HE2 LYS A 76 6.622 -6.891 -9.213 1.00 0.00 H new ATOM 0 HE3 LYS A 76 6.891 -5.718 -10.487 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 6.187 -7.839 -11.384 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 7.768 -7.487 -11.893 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 7.507 -8.623 -10.659 1.00 0.00 H new ATOM 1193 N ALA A 77 12.898 -5.658 -5.713 1.00 0.00 N ATOM 1194 CA ALA A 77 14.045 -4.773 -5.594 1.00 0.00 C ATOM 1195 C ALA A 77 15.151 -5.250 -6.538 1.00 0.00 C ATOM 1196 O ALA A 77 15.550 -4.525 -7.448 1.00 0.00 O ATOM 1197 CB ALA A 77 14.504 -4.725 -4.135 1.00 0.00 C ATOM 0 H ALA A 77 12.834 -6.373 -4.989 1.00 0.00 H new ATOM 0 HA ALA A 77 13.778 -3.757 -5.885 1.00 0.00 H new ATOM 0 HB1 ALA A 77 15.364 -4.061 -4.046 1.00 0.00 H new ATOM 0 HB2 ALA A 77 13.692 -4.353 -3.510 1.00 0.00 H new ATOM 0 HB3 ALA A 77 14.783 -5.727 -3.808 1.00 0.00 H new ATOM 1203 N SER A 78 15.615 -6.465 -6.288 1.00 0.00 N ATOM 1204 CA SER A 78 16.667 -7.047 -7.104 1.00 0.00 C ATOM 1205 C SER A 78 16.446 -6.690 -8.575 1.00 0.00 C ATOM 1206 O SER A 78 17.306 -6.075 -9.204 1.00 0.00 O ATOM 1207 CB SER A 78 16.724 -8.566 -6.929 1.00 0.00 C ATOM 1208 OG SER A 78 17.972 -8.995 -6.391 1.00 0.00 O ATOM 0 H SER A 78 15.282 -7.063 -5.532 1.00 0.00 H new ATOM 0 HA SER A 78 17.621 -6.635 -6.776 1.00 0.00 H new ATOM 0 HB2 SER A 78 15.916 -8.886 -6.271 1.00 0.00 H new ATOM 0 HB3 SER A 78 16.560 -9.048 -7.893 1.00 0.00 H new ATOM 0 HG SER A 78 17.968 -9.970 -6.293 1.00 0.00 H new ATOM 1214 N THR A 79 15.289 -7.091 -9.081 1.00 0.00 N ATOM 1215 CA THR A 79 14.944 -6.822 -10.466 1.00 0.00 C ATOM 1216 C THR A 79 14.956 -5.315 -10.736 1.00 0.00 C ATOM 1217 O THR A 79 15.644 -4.849 -11.643 1.00 0.00 O ATOM 1218 CB THR A 79 13.593 -7.479 -10.754 1.00 0.00 C ATOM 1219 OG1 THR A 79 13.878 -8.876 -10.743 1.00 0.00 O ATOM 1220 CG2 THR A 79 13.102 -7.210 -12.178 1.00 0.00 C ATOM 0 H THR A 79 14.578 -7.601 -8.556 1.00 0.00 H new ATOM 0 HA THR A 79 15.681 -7.249 -11.146 1.00 0.00 H new ATOM 0 HB THR A 79 12.853 -7.116 -10.041 1.00 0.00 H new ATOM 0 HG1 THR A 79 13.056 -9.379 -10.920 1.00 0.00 H new ATOM 0 HG21 THR A 79 12.140 -7.699 -12.329 1.00 0.00 H new ATOM 0 HG22 THR A 79 12.991 -6.136 -12.328 1.00 0.00 H new ATOM 0 HG23 THR A 79 13.825 -7.603 -12.893 1.00 0.00 H new ATOM 1228 N SER A 80 14.188 -4.597 -9.930 1.00 0.00 N ATOM 1229 CA SER A 80 14.101 -3.153 -10.070 1.00 0.00 C ATOM 1230 C SER A 80 15.485 -2.573 -10.371 1.00 0.00 C ATOM 1231 O SER A 80 15.683 -1.935 -11.404 1.00 0.00 O ATOM 1232 CB SER A 80 13.520 -2.511 -8.809 1.00 0.00 C ATOM 1233 OG SER A 80 13.629 -1.091 -8.834 1.00 0.00 O ATOM 0 H SER A 80 13.620 -4.988 -9.178 1.00 0.00 H new ATOM 0 HA SER A 80 13.431 -2.930 -10.900 1.00 0.00 H new ATOM 0 HB2 SER A 80 12.472 -2.792 -8.709 1.00 0.00 H new ATOM 0 HB3 SER A 80 14.039 -2.899 -7.933 1.00 0.00 H new ATOM 0 HG SER A 80 13.246 -0.719 -8.012 1.00 0.00 H new ATOM 1239 N LEU A 81 16.406 -2.815 -9.450 1.00 0.00 N ATOM 1240 CA LEU A 81 17.765 -2.324 -9.605 1.00 0.00 C ATOM 1241 C LEU A 81 18.272 -2.672 -11.005 1.00 0.00 C ATOM 1242 O LEU A 81 18.528 -1.782 -11.816 1.00 0.00 O ATOM 1243 CB LEU A 81 18.656 -2.852 -8.479 1.00 0.00 C ATOM 1244 CG LEU A 81 19.458 -1.801 -7.708 1.00 0.00 C ATOM 1245 CD1 LEU A 81 18.607 -1.159 -6.611 1.00 0.00 C ATOM 1246 CD2 LEU A 81 20.753 -2.397 -7.154 1.00 0.00 C ATOM 0 H LEU A 81 16.238 -3.344 -8.594 1.00 0.00 H new ATOM 0 HA LEU A 81 17.790 -1.238 -9.518 1.00 0.00 H new ATOM 0 HB2 LEU A 81 18.029 -3.394 -7.770 1.00 0.00 H new ATOM 0 HB3 LEU A 81 19.354 -3.574 -8.903 1.00 0.00 H new ATOM 0 HG LEU A 81 19.740 -1.009 -8.402 1.00 0.00 H new ATOM 0 HD11 LEU A 81 19.200 -0.416 -6.078 1.00 0.00 H new ATOM 0 HD12 LEU A 81 17.739 -0.676 -7.060 1.00 0.00 H new ATOM 0 HD13 LEU A 81 18.275 -1.927 -5.912 1.00 0.00 H new ATOM 0 HD21 LEU A 81 21.304 -1.629 -6.611 1.00 0.00 H new ATOM 0 HD22 LEU A 81 20.516 -3.219 -6.479 1.00 0.00 H new ATOM 0 HD23 LEU A 81 21.364 -2.768 -7.977 1.00 0.00 H new ATOM 1258 N GLN A 82 18.403 -3.968 -11.248 1.00 0.00 N ATOM 1259 CA GLN A 82 18.876 -4.444 -12.537 1.00 0.00 C ATOM 1260 C GLN A 82 18.287 -3.594 -13.665 1.00 0.00 C ATOM 1261 O GLN A 82 19.024 -2.950 -14.410 1.00 0.00 O ATOM 1262 CB GLN A 82 18.538 -5.924 -12.732 1.00 0.00 C ATOM 1263 CG GLN A 82 19.749 -6.807 -12.425 1.00 0.00 C ATOM 1264 CD GLN A 82 19.986 -7.821 -13.546 1.00 0.00 C ATOM 1265 OE1 GLN A 82 20.122 -7.479 -14.709 1.00 0.00 O ATOM 1266 NE2 GLN A 82 20.027 -9.085 -13.132 1.00 0.00 N ATOM 0 H GLN A 82 18.190 -4.703 -10.574 1.00 0.00 H new ATOM 0 HA GLN A 82 19.961 -4.346 -12.563 1.00 0.00 H new ATOM 0 HB2 GLN A 82 17.708 -6.200 -12.082 1.00 0.00 H new ATOM 0 HB3 GLN A 82 18.210 -6.094 -13.757 1.00 0.00 H new ATOM 0 HG2 GLN A 82 20.635 -6.185 -12.299 1.00 0.00 H new ATOM 0 HG3 GLN A 82 19.592 -7.331 -11.483 1.00 0.00 H new ATOM 0 HE21 GLN A 82 19.906 -9.302 -12.143 1.00 0.00 H new ATOM 0 HE22 GLN A 82 20.180 -9.837 -13.804 1.00 0.00 H new ATOM 1275 N ASP A 83 16.966 -3.620 -13.754 1.00 0.00 N ATOM 1276 CA ASP A 83 16.270 -2.860 -14.779 1.00 0.00 C ATOM 1277 C ASP A 83 16.935 -1.491 -14.932 1.00 0.00 C ATOM 1278 O ASP A 83 17.351 -1.118 -16.028 1.00 0.00 O ATOM 1279 CB ASP A 83 14.806 -2.634 -14.398 1.00 0.00 C ATOM 1280 CG ASP A 83 13.984 -1.853 -15.425 1.00 0.00 C ATOM 1281 OD1 ASP A 83 14.563 -0.922 -16.026 1.00 0.00 O ATOM 1282 OD2 ASP A 83 12.795 -2.204 -15.586 1.00 0.00 O ATOM 0 H ASP A 83 16.359 -4.155 -13.133 1.00 0.00 H new ATOM 0 HA ASP A 83 16.317 -3.426 -15.709 1.00 0.00 H new ATOM 0 HB2 ASP A 83 14.334 -3.603 -14.238 1.00 0.00 H new ATOM 0 HB3 ASP A 83 14.772 -2.102 -13.447 1.00 0.00 H new ATOM 1287 N SER A 84 17.016 -0.779 -13.817 1.00 0.00 N ATOM 1288 CA SER A 84 17.624 0.540 -13.814 1.00 0.00 C ATOM 1289 C SER A 84 19.024 0.473 -14.427 1.00 0.00 C ATOM 1290 O SER A 84 19.357 1.263 -15.310 1.00 0.00 O ATOM 1291 CB SER A 84 17.693 1.111 -12.396 1.00 0.00 C ATOM 1292 OG SER A 84 17.912 2.519 -12.397 1.00 0.00 O ATOM 0 H SER A 84 16.670 -1.091 -12.910 1.00 0.00 H new ATOM 0 HA SER A 84 17.003 1.204 -14.415 1.00 0.00 H new ATOM 0 HB2 SER A 84 16.764 0.889 -11.870 1.00 0.00 H new ATOM 0 HB3 SER A 84 18.496 0.620 -11.846 1.00 0.00 H new ATOM 0 HG SER A 84 17.948 2.845 -11.474 1.00 0.00 H new ATOM 1298 N GLY A 85 19.806 -0.476 -13.936 1.00 0.00 N ATOM 1299 CA GLY A 85 21.162 -0.657 -14.425 1.00 0.00 C ATOM 1300 C GLY A 85 21.866 -1.793 -13.682 1.00 0.00 C ATOM 1301 O GLY A 85 21.257 -2.471 -12.855 1.00 0.00 O ATOM 0 H GLY A 85 19.526 -1.129 -13.204 1.00 0.00 H new ATOM 0 HA2 GLY A 85 21.141 -0.874 -15.493 1.00 0.00 H new ATOM 0 HA3 GLY A 85 21.724 0.268 -14.299 1.00 0.00 H new ATOM 1305 N PRO A 86 23.174 -1.972 -14.010 1.00 0.00 N ATOM 1306 CA PRO A 86 23.968 -3.015 -13.383 1.00 0.00 C ATOM 1307 C PRO A 86 24.345 -2.630 -11.951 1.00 0.00 C ATOM 1308 O PRO A 86 24.469 -1.449 -11.634 1.00 0.00 O ATOM 1309 CB PRO A 86 25.176 -3.188 -14.289 1.00 0.00 C ATOM 1310 CG PRO A 86 25.250 -1.925 -15.131 1.00 0.00 C ATOM 1311 CD PRO A 86 23.928 -1.188 -14.984 1.00 0.00 C ATOM 0 HA PRO A 86 23.425 -3.955 -13.282 1.00 0.00 H new ATOM 0 HB2 PRO A 86 26.086 -3.322 -13.705 1.00 0.00 H new ATOM 0 HB3 PRO A 86 25.069 -4.071 -14.919 1.00 0.00 H new ATOM 0 HG2 PRO A 86 26.077 -1.295 -14.802 1.00 0.00 H new ATOM 0 HG3 PRO A 86 25.434 -2.173 -16.176 1.00 0.00 H new ATOM 0 HD2 PRO A 86 24.081 -0.166 -14.637 1.00 0.00 H new ATOM 0 HD3 PRO A 86 23.401 -1.126 -15.936 1.00 0.00 H new ATOM 1319 N SER A 87 24.516 -3.651 -11.124 1.00 0.00 N ATOM 1320 CA SER A 87 24.876 -3.435 -9.733 1.00 0.00 C ATOM 1321 C SER A 87 25.491 -4.709 -9.148 1.00 0.00 C ATOM 1322 O SER A 87 25.358 -5.788 -9.724 1.00 0.00 O ATOM 1323 CB SER A 87 23.660 -3.006 -8.910 1.00 0.00 C ATOM 1324 OG SER A 87 23.599 -1.592 -8.747 1.00 0.00 O ATOM 0 H SER A 87 24.412 -4.630 -11.391 1.00 0.00 H new ATOM 0 HA SER A 87 25.611 -2.631 -9.690 1.00 0.00 H new ATOM 0 HB2 SER A 87 22.750 -3.354 -9.399 1.00 0.00 H new ATOM 0 HB3 SER A 87 23.698 -3.483 -7.931 1.00 0.00 H new ATOM 0 HG SER A 87 23.835 -1.155 -9.592 1.00 0.00 H new ATOM 1330 N SER A 88 26.150 -4.541 -8.011 1.00 0.00 N ATOM 1331 CA SER A 88 26.785 -5.663 -7.342 1.00 0.00 C ATOM 1332 C SER A 88 26.055 -5.973 -6.033 1.00 0.00 C ATOM 1333 O SER A 88 25.407 -5.100 -5.458 1.00 0.00 O ATOM 1334 CB SER A 88 28.263 -5.378 -7.070 1.00 0.00 C ATOM 1335 OG SER A 88 28.810 -6.268 -6.101 1.00 0.00 O ATOM 0 H SER A 88 26.258 -3.645 -7.536 1.00 0.00 H new ATOM 0 HA SER A 88 26.725 -6.531 -7.999 1.00 0.00 H new ATOM 0 HB2 SER A 88 28.826 -5.464 -8.000 1.00 0.00 H new ATOM 0 HB3 SER A 88 28.376 -4.351 -6.723 1.00 0.00 H new ATOM 0 HG SER A 88 29.755 -6.054 -5.957 1.00 0.00 H new ATOM 1341 N GLY A 89 26.185 -7.219 -5.601 1.00 0.00 N ATOM 1342 CA GLY A 89 25.546 -7.655 -4.372 1.00 0.00 C ATOM 1343 C GLY A 89 25.802 -9.142 -4.118 1.00 0.00 C ATOM 1344 O GLY A 89 24.978 -9.822 -3.507 1.00 0.00 O ATOM 0 H GLY A 89 26.724 -7.940 -6.081 1.00 0.00 H new ATOM 0 HA2 GLY A 89 25.924 -7.069 -3.534 1.00 0.00 H new ATOM 0 HA3 GLY A 89 24.473 -7.472 -4.431 1.00 0.00 H new TER 1348 GLY A 89