USER MOD reduce.3.24.130724 H: found=0, std=0, add=921, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 0 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 110 THR OG1 : rot -180:sc= 0.943 USER MOD Set 1.2: A 139 TYR OH : rot 159:sc= 1.19 USER MOD Set 2.1: A 126 LYS NZ :NH3+ -122:sc= 0.559 (180deg=-0.148) USER MOD Set 2.2: A 128 ASN : amide:sc= 0.331 K(o=0.89,f=-6.9!) USER MOD Set 3.1: A 81 MET CE :methyl 156:sc= -0.592 (180deg=-2.17) USER MOD Set 3.2: A 113 SER OG : rot -62:sc= -0.886! USER MOD Set 3.3: A 116 HIS : no HE2:sc= -4.16 K(o=-6.6,f=-5.9!) USER MOD Set 3.4: A 119 LYS NZ :NH3+ -152:sc= -0.918 (180deg=0) USER MOD Set 4.1: A 109 ASN : amide:sc= 0.33 K(o=0.33,f=-0.56) USER MOD Set 4.2: A 111 TYR OH : rot 15:sc= 0 USER MOD Set 5.1: A 31 SER OG : rot -35:sc= 0.823 USER MOD Set 5.2: A 108 TYR OH : rot 180:sc= 0.239 USER MOD Set 6.1: A 77 GLN : amide:sc= 0.216 X(o=-2.4,f=-2.3) USER MOD Set 6.2: A 91 GLN : amide:sc= -2.66! C(o=-2.4!,f=-2.2!) USER MOD Set 7.1: A 72 SER OG : rot 180:sc= 2.3 USER MOD Set 7.2: A 75 THR OG1 : rot -145:sc= 0.723 USER MOD Set 8.1: A 59 GLN : amide:sc= -1.11 X(o=-1.1,f=-1.6) USER MOD Set 8.2: A 61 SER OG : rot 180:sc= 0 USER MOD Set 9.1: A 54 GLN : amide:sc= 0.236 K(o=-3.3,f=-4.4) USER MOD Set 9.2: A 55 HIS : no HD1:sc= -3.52! C(o=-3.3!,f=-5.3!) USER MOD Single : A 30 CYS SG : rot 158:sc= -0.492 USER MOD Single : A 32 ASN : amide:sc= -3.88 K(o=-3.9,f=-5.8!) USER MOD Single : A 35 HIS : no HE2:sc= -3.23 K(o=-3.2,f=-6.3!) USER MOD Single : A 44 THR OG1 : rot 180:sc= -0.0847 USER MOD Single : A 48 THR OG1 : rot 150:sc= -0.512 USER MOD Single : A 52 SER OG : rot -140:sc= 0.228 USER MOD Single : A 57 GLN : amide:sc= -0.955 K(o=-0.96,f=-4.9!) USER MOD Single : A 64 SER OG : rot -150:sc= -0.988 USER MOD Single : A 69 TYR OH : rot 151:sc= 0.456 USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 THR OG1 : rot 98:sc= 0.593 USER MOD Single : A 78 TYR OH : rot 180:sc= 0 USER MOD Single : A 83 THR OG1 : rot 180:sc= 0.0107 USER MOD Single : A 88 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 SER OG : rot -91:sc= 1.04 USER MOD Single : A 92 THR OG1 : rot 180:sc= 0 USER MOD Single : A 94 ASN : amide:sc= -0.421 K(o=-0.42,f=-6.7!) USER MOD Single : A 97 CYS SG : rot 176:sc= -0.559 USER MOD Single : A 106 ASN : amide:sc= 0 X(o=0,f=-0.097) USER MOD Single : A 107 HIS : no HD1:sc= -0.0376 X(o=-0.038,f=-0.5) USER MOD Single : A 114 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 115 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0669) USER MOD Single : A 120 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 127 LYS NZ :NH3+ -145:sc= -0.529 (180deg=-2.02!) USER MOD Single : A 130 SER OG : rot -170:sc= -0.881 USER MOD Single : A 131 CYS SG : rot 10:sc= -1.07 USER MOD Single : A 132 LYS NZ :NH3+ -123:sc= 0.00343 (180deg=-0.883) USER MOD Single : A 137 THR OG1 : rot 22:sc= 1.13 USER MOD Single : A 138 HIS : no HE2:sc= 0.953 K(o=0.95,f=-4.7!) USER MOD Single : A 141 GLN : amide:sc= 0 X(o=0,f=-0.25) USER MOD Single : A 142 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 21 N CYS A 30 -9.979 3.770 2.546 1.00 0.00 N ATOM 22 CA CYS A 30 -10.310 2.461 1.963 1.00 0.00 C ATOM 23 C CYS A 30 -11.758 2.133 2.335 1.00 0.00 C ATOM 24 O CYS A 30 -12.239 2.565 3.384 1.00 0.00 O ATOM 25 CB CYS A 30 -9.431 1.408 2.636 1.00 0.00 C ATOM 26 SG CYS A 30 -9.295 -0.155 1.700 1.00 0.00 S ATOM 0 HA CYS A 30 -10.164 2.474 0.883 1.00 0.00 H new ATOM 0 HB2 CYS A 30 -8.433 1.821 2.780 1.00 0.00 H new ATOM 0 HB3 CYS A 30 -9.833 1.193 3.626 1.00 0.00 H new ATOM 0 HG CYS A 30 -8.219 -0.787 2.065 1.00 0.00 H new ATOM 27 N SER A 31 -12.387 1.266 1.540 1.00 0.00 N ATOM 28 CA SER A 31 -13.668 0.635 1.947 1.00 0.00 C ATOM 29 C SER A 31 -13.577 -0.148 3.274 1.00 0.00 C ATOM 30 O SER A 31 -14.581 -0.433 3.929 1.00 0.00 O ATOM 31 CB SER A 31 -14.182 -0.301 0.858 1.00 0.00 C ATOM 32 OG SER A 31 -14.336 0.456 -0.340 1.00 0.00 O ATOM 0 H SER A 31 -12.046 0.980 0.622 1.00 0.00 H new ATOM 0 HA SER A 31 -14.362 1.461 2.099 1.00 0.00 H new ATOM 0 HB2 SER A 31 -13.483 -1.123 0.702 1.00 0.00 H new ATOM 0 HB3 SER A 31 -15.133 -0.743 1.154 1.00 0.00 H new ATOM 0 HG SER A 31 -14.635 1.363 -0.118 1.00 0.00 H new ATOM 33 N ASN A 32 -12.338 -0.488 3.618 1.00 0.00 N ATOM 34 CA ASN A 32 -11.917 -1.122 4.874 1.00 0.00 C ATOM 35 C ASN A 32 -11.700 -0.032 5.950 1.00 0.00 C ATOM 36 O ASN A 32 -12.218 1.089 5.829 1.00 0.00 O ATOM 37 CB ASN A 32 -10.617 -1.820 4.474 1.00 0.00 C ATOM 38 CG ASN A 32 -10.045 -2.794 5.494 1.00 0.00 C ATOM 39 OD1 ASN A 32 -10.401 -3.957 5.560 1.00 0.00 O ATOM 40 ND2 ASN A 32 -9.025 -2.329 6.171 1.00 0.00 N ATOM 0 H ASN A 32 -11.550 -0.320 2.993 1.00 0.00 H new ATOM 0 HA ASN A 32 -12.637 -1.817 5.305 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -10.788 -2.359 3.542 1.00 0.00 H new ATOM 0 HB3 ASN A 32 -9.866 -1.057 4.268 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -8.494 -2.948 6.783 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -8.761 -1.347 6.086 1.00 0.00 H new ATOM 41 N GLY A 33 -10.919 -0.349 6.975 1.00 0.00 N ATOM 42 CA GLY A 33 -10.385 0.637 7.934 1.00 0.00 C ATOM 43 C GLY A 33 -9.419 1.552 7.171 1.00 0.00 C ATOM 44 O GLY A 33 -8.456 1.051 6.591 1.00 0.00 O ATOM 0 H GLY A 33 -10.629 -1.306 7.175 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -11.194 1.218 8.376 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -9.870 0.134 8.753 1.00 0.00 H new ATOM 45 N GLY A 34 -10.010 2.669 6.762 1.00 0.00 N ATOM 46 CA GLY A 34 -9.323 3.818 6.142 1.00 0.00 C ATOM 47 C GLY A 34 -8.201 4.387 7.012 1.00 0.00 C ATOM 48 O GLY A 34 -8.426 4.970 8.077 1.00 0.00 O ATOM 0 H GLY A 34 -11.016 2.814 6.852 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -8.910 3.511 5.181 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -10.051 4.603 5.940 1.00 0.00 H new ATOM 49 N HIS A 35 -7.006 4.242 6.471 1.00 0.00 N ATOM 50 CA HIS A 35 -5.742 4.691 7.076 1.00 0.00 C ATOM 51 C HIS A 35 -4.799 5.088 5.913 1.00 0.00 C ATOM 52 O HIS A 35 -5.149 4.948 4.751 1.00 0.00 O ATOM 53 CB HIS A 35 -5.099 3.534 7.860 1.00 0.00 C ATOM 54 CG HIS A 35 -5.971 2.779 8.861 1.00 0.00 C ATOM 55 ND1 HIS A 35 -6.489 1.571 8.656 1.00 0.00 N ATOM 56 CD2 HIS A 35 -6.319 3.152 10.091 1.00 0.00 C ATOM 57 CE1 HIS A 35 -7.183 1.217 9.721 1.00 0.00 C ATOM 58 NE2 HIS A 35 -7.090 2.205 10.605 1.00 0.00 N ATOM 0 H HIS A 35 -6.872 3.793 5.565 1.00 0.00 H new ATOM 0 HA HIS A 35 -5.917 5.525 7.755 1.00 0.00 H new ATOM 0 HB2 HIS A 35 -4.717 2.812 7.138 1.00 0.00 H new ATOM 0 HB3 HIS A 35 -4.239 3.932 8.399 1.00 0.00 H new ATOM 0 HD1 HIS A 35 -6.369 1.010 7.813 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -6.024 4.067 10.584 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -7.727 0.293 9.851 1.00 0.00 H new ATOM 59 N PHE A 36 -3.527 5.266 6.241 1.00 0.00 N ATOM 60 CA PHE A 36 -2.485 5.627 5.262 1.00 0.00 C ATOM 61 C PHE A 36 -1.462 4.505 5.232 1.00 0.00 C ATOM 62 O PHE A 36 -1.206 3.869 6.254 1.00 0.00 O ATOM 63 CB PHE A 36 -1.795 6.924 5.650 1.00 0.00 C ATOM 64 CG PHE A 36 -2.537 8.145 5.102 1.00 0.00 C ATOM 65 CD1 PHE A 36 -3.694 8.617 5.760 1.00 0.00 C ATOM 66 CD2 PHE A 36 -2.016 8.800 3.967 1.00 0.00 C ATOM 67 CE1 PHE A 36 -4.327 9.783 5.281 1.00 0.00 C ATOM 68 CE2 PHE A 36 -2.640 9.976 3.491 1.00 0.00 C ATOM 69 CZ PHE A 36 -3.791 10.458 4.162 1.00 0.00 C ATOM 0 H PHE A 36 -3.177 5.166 7.194 1.00 0.00 H new ATOM 0 HA PHE A 36 -2.943 5.769 4.283 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -1.733 6.993 6.736 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -0.773 6.920 5.272 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -4.089 8.093 6.618 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -1.145 8.406 3.464 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -5.216 10.157 5.767 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -2.246 10.498 2.631 1.00 0.00 H new ATOM 0 HZ PHE A 36 -4.269 11.361 3.810 1.00 0.00 H new ATOM 70 N LEU A 37 -0.839 4.345 4.076 1.00 0.00 N ATOM 71 CA LEU A 37 0.178 3.299 3.836 1.00 0.00 C ATOM 72 C LEU A 37 1.545 3.699 4.429 1.00 0.00 C ATOM 73 O LEU A 37 2.603 3.289 3.962 1.00 0.00 O ATOM 74 CB LEU A 37 0.232 3.073 2.329 1.00 0.00 C ATOM 75 CG LEU A 37 -1.106 2.525 1.821 1.00 0.00 C ATOM 76 CD1 LEU A 37 -1.486 3.182 0.505 1.00 0.00 C ATOM 77 CD2 LEU A 37 -1.087 1.000 1.737 1.00 0.00 C ATOM 0 H LEU A 37 -1.016 4.935 3.263 1.00 0.00 H new ATOM 0 HA LEU A 37 -0.088 2.369 4.338 1.00 0.00 H new ATOM 0 HB2 LEU A 37 0.464 4.010 1.823 1.00 0.00 H new ATOM 0 HB3 LEU A 37 1.033 2.374 2.088 1.00 0.00 H new ATOM 0 HG LEU A 37 -1.883 2.780 2.542 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -2.439 2.780 0.160 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -1.577 4.259 0.649 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -0.716 2.979 -0.239 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -2.051 0.644 1.373 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -0.301 0.683 1.052 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -0.896 0.583 2.726 1.00 0.00 H new ATOM 78 N ARG A 38 1.473 4.259 5.636 1.00 0.00 N ATOM 79 CA ARG A 38 2.596 4.936 6.306 1.00 0.00 C ATOM 80 C ARG A 38 3.831 4.043 6.507 1.00 0.00 C ATOM 81 O ARG A 38 3.796 3.049 7.241 1.00 0.00 O ATOM 82 CB ARG A 38 2.124 5.576 7.615 1.00 0.00 C ATOM 83 CG ARG A 38 3.274 6.171 8.451 1.00 0.00 C ATOM 84 CD ARG A 38 2.914 7.113 9.603 1.00 0.00 C ATOM 85 NE ARG A 38 2.410 6.525 10.850 1.00 0.00 N ATOM 86 CZ ARG A 38 1.375 5.735 11.144 1.00 0.00 C ATOM 87 NH1 ARG A 38 0.965 4.751 10.366 1.00 0.00 N ATOM 88 NH2 ARG A 38 1.046 5.577 12.417 1.00 0.00 N ATOM 0 H ARG A 38 0.617 4.258 6.191 1.00 0.00 H new ATOM 0 HA ARG A 38 2.935 5.725 5.634 1.00 0.00 H new ATOM 0 HB2 ARG A 38 1.404 6.362 7.388 1.00 0.00 H new ATOM 0 HB3 ARG A 38 1.601 4.827 8.210 1.00 0.00 H new ATOM 0 HG2 ARG A 38 3.849 5.343 8.865 1.00 0.00 H new ATOM 0 HG3 ARG A 38 3.935 6.711 7.773 1.00 0.00 H new ATOM 0 HD2 ARG A 38 3.802 7.696 9.846 1.00 0.00 H new ATOM 0 HD3 ARG A 38 2.163 7.813 9.238 1.00 0.00 H new ATOM 0 HE ARG A 38 2.970 6.773 11.666 1.00 0.00 H new ATOM 0 HH11 ARG A 38 1.446 4.561 9.487 1.00 0.00 H new ATOM 0 HH12 ARG A 38 0.167 4.180 10.644 1.00 0.00 H new ATOM 0 HH21 ARG A 38 1.579 6.053 13.144 1.00 0.00 H new ATOM 0 HH22 ARG A 38 0.259 4.979 12.670 1.00 0.00 H new ATOM 89 N ILE A 39 4.839 4.348 5.707 1.00 0.00 N ATOM 90 CA ILE A 39 6.208 3.956 6.052 1.00 0.00 C ATOM 91 C ILE A 39 6.713 4.769 7.238 1.00 0.00 C ATOM 92 O ILE A 39 7.058 5.952 7.153 1.00 0.00 O ATOM 93 CB ILE A 39 7.197 3.895 4.860 1.00 0.00 C ATOM 94 CG1 ILE A 39 8.638 3.594 5.296 1.00 0.00 C ATOM 95 CG2 ILE A 39 7.213 5.164 4.010 1.00 0.00 C ATOM 96 CD1 ILE A 39 8.822 2.305 6.098 1.00 0.00 C ATOM 0 H ILE A 39 4.746 4.857 4.828 1.00 0.00 H new ATOM 0 HA ILE A 39 6.160 2.912 6.362 1.00 0.00 H new ATOM 0 HB ILE A 39 6.817 3.072 4.254 1.00 0.00 H new ATOM 0 HG12 ILE A 39 9.266 3.542 4.407 1.00 0.00 H new ATOM 0 HG13 ILE A 39 9.001 4.430 5.894 1.00 0.00 H new ATOM 0 HG21 ILE A 39 7.928 5.047 3.196 1.00 0.00 H new ATOM 0 HG22 ILE A 39 6.219 5.339 3.598 1.00 0.00 H new ATOM 0 HG23 ILE A 39 7.503 6.013 4.629 1.00 0.00 H new ATOM 0 HD11 ILE A 39 9.874 2.185 6.357 1.00 0.00 H new ATOM 0 HD12 ILE A 39 8.227 2.356 7.010 1.00 0.00 H new ATOM 0 HD13 ILE A 39 8.496 1.454 5.499 1.00 0.00 H new ATOM 97 N LEU A 40 6.554 4.083 8.358 1.00 0.00 N ATOM 98 CA LEU A 40 7.068 4.551 9.652 1.00 0.00 C ATOM 99 C LEU A 40 8.597 4.601 9.592 1.00 0.00 C ATOM 100 O LEU A 40 9.217 3.616 9.168 1.00 0.00 O ATOM 101 CB LEU A 40 6.704 3.624 10.824 1.00 0.00 C ATOM 102 CG LEU A 40 5.312 3.760 11.429 1.00 0.00 C ATOM 103 CD1 LEU A 40 5.171 5.177 11.989 1.00 0.00 C ATOM 104 CD2 LEU A 40 4.208 3.423 10.453 1.00 0.00 C ATOM 0 H LEU A 40 6.068 3.188 8.405 1.00 0.00 H new ATOM 0 HA LEU A 40 6.615 5.527 9.826 1.00 0.00 H new ATOM 0 HB2 LEU A 40 6.824 2.594 10.487 1.00 0.00 H new ATOM 0 HB3 LEU A 40 7.432 3.786 11.619 1.00 0.00 H new ATOM 0 HG LEU A 40 5.204 3.031 12.232 1.00 0.00 H new ATOM 0 HD11 LEU A 40 4.181 5.298 12.428 1.00 0.00 H new ATOM 0 HD12 LEU A 40 5.930 5.343 12.754 1.00 0.00 H new ATOM 0 HD13 LEU A 40 5.302 5.901 11.185 1.00 0.00 H new ATOM 0 HD21 LEU A 40 3.241 3.539 10.943 1.00 0.00 H new ATOM 0 HD22 LEU A 40 4.263 4.094 9.596 1.00 0.00 H new ATOM 0 HD23 LEU A 40 4.323 2.393 10.116 1.00 0.00 H new ATOM 105 N PRO A 41 9.183 5.622 10.239 1.00 0.00 N ATOM 106 CA PRO A 41 10.652 5.779 10.339 1.00 0.00 C ATOM 107 C PRO A 41 11.329 4.606 11.074 1.00 0.00 C ATOM 108 O PRO A 41 12.480 4.304 10.839 1.00 0.00 O ATOM 109 CB PRO A 41 10.825 7.120 11.045 1.00 0.00 C ATOM 110 CG PRO A 41 9.581 7.252 11.921 1.00 0.00 C ATOM 111 CD PRO A 41 8.473 6.640 11.039 1.00 0.00 C ATOM 0 HA PRO A 41 11.142 5.766 9.366 1.00 0.00 H new ATOM 0 HB2 PRO A 41 11.736 7.139 11.643 1.00 0.00 H new ATOM 0 HB3 PRO A 41 10.896 7.939 10.330 1.00 0.00 H new ATOM 0 HG2 PRO A 41 9.691 6.714 12.863 1.00 0.00 H new ATOM 0 HG3 PRO A 41 9.371 8.292 12.170 1.00 0.00 H new ATOM 0 HD2 PRO A 41 7.682 6.195 11.642 1.00 0.00 H new ATOM 0 HD3 PRO A 41 8.005 7.393 10.405 1.00 0.00 H new ATOM 112 N ASP A 42 10.506 3.859 11.809 1.00 0.00 N ATOM 113 CA ASP A 42 10.876 2.608 12.506 1.00 0.00 C ATOM 114 C ASP A 42 10.701 1.346 11.624 1.00 0.00 C ATOM 115 O ASP A 42 10.130 0.335 12.039 1.00 0.00 O ATOM 116 CB ASP A 42 10.032 2.573 13.778 1.00 0.00 C ATOM 117 CG ASP A 42 10.705 3.300 14.952 1.00 0.00 C ATOM 118 OD1 ASP A 42 11.659 4.070 14.710 1.00 0.00 O ATOM 119 OD2 ASP A 42 10.184 3.127 16.069 1.00 0.00 O ATOM 0 H ASP A 42 9.527 4.109 11.946 1.00 0.00 H new ATOM 0 HA ASP A 42 11.939 2.598 12.747 1.00 0.00 H new ATOM 0 HB2 ASP A 42 9.063 3.030 13.579 1.00 0.00 H new ATOM 0 HB3 ASP A 42 9.844 1.536 14.057 1.00 0.00 H new ATOM 120 N GLY A 43 11.051 1.544 10.357 1.00 0.00 N ATOM 121 CA GLY A 43 11.092 0.533 9.284 1.00 0.00 C ATOM 122 C GLY A 43 9.797 -0.245 8.987 1.00 0.00 C ATOM 123 O GLY A 43 9.889 -1.264 8.317 1.00 0.00 O ATOM 0 H GLY A 43 11.332 2.466 10.023 1.00 0.00 H new ATOM 0 HA2 GLY A 43 11.403 1.031 8.365 1.00 0.00 H new ATOM 0 HA3 GLY A 43 11.869 -0.190 9.533 1.00 0.00 H new ATOM 124 N THR A 44 8.624 0.323 9.272 1.00 0.00 N ATOM 125 CA THR A 44 7.399 -0.483 9.079 1.00 0.00 C ATOM 126 C THR A 44 6.268 0.202 8.315 1.00 0.00 C ATOM 127 O THR A 44 6.070 1.412 8.414 1.00 0.00 O ATOM 128 CB THR A 44 6.875 -1.116 10.387 1.00 0.00 C ATOM 129 OG1 THR A 44 5.839 -2.050 10.041 1.00 0.00 O ATOM 130 CG2 THR A 44 6.381 -0.091 11.411 1.00 0.00 C ATOM 0 H THR A 44 8.488 1.274 9.615 1.00 0.00 H new ATOM 0 HA THR A 44 7.744 -1.284 8.425 1.00 0.00 H new ATOM 0 HB THR A 44 7.705 -1.622 10.880 1.00 0.00 H new ATOM 0 HG1 THR A 44 5.490 -2.468 10.856 1.00 0.00 H new ATOM 0 HG21 THR A 44 6.028 -0.609 12.303 1.00 0.00 H new ATOM 0 HG22 THR A 44 7.198 0.578 11.679 1.00 0.00 H new ATOM 0 HG23 THR A 44 5.564 0.488 10.981 1.00 0.00 H new ATOM 131 N VAL A 45 5.501 -0.626 7.628 1.00 0.00 N ATOM 132 CA VAL A 45 4.316 -0.155 6.884 1.00 0.00 C ATOM 133 C VAL A 45 3.020 -0.501 7.630 1.00 0.00 C ATOM 134 O VAL A 45 2.447 -1.595 7.554 1.00 0.00 O ATOM 135 CB VAL A 45 4.401 -0.564 5.412 1.00 0.00 C ATOM 136 CG1 VAL A 45 3.101 -0.327 4.650 1.00 0.00 C ATOM 137 CG2 VAL A 45 5.522 0.255 4.755 1.00 0.00 C ATOM 0 H VAL A 45 5.666 -1.630 7.562 1.00 0.00 H new ATOM 0 HA VAL A 45 4.297 0.934 6.846 1.00 0.00 H new ATOM 0 HB VAL A 45 4.600 -1.635 5.373 1.00 0.00 H new ATOM 0 HG11 VAL A 45 3.226 -0.637 3.612 1.00 0.00 H new ATOM 0 HG12 VAL A 45 2.300 -0.907 5.108 1.00 0.00 H new ATOM 0 HG13 VAL A 45 2.847 0.732 4.684 1.00 0.00 H new ATOM 0 HG21 VAL A 45 5.603 -0.018 3.703 1.00 0.00 H new ATOM 0 HG22 VAL A 45 5.293 1.317 4.837 1.00 0.00 H new ATOM 0 HG23 VAL A 45 6.467 0.048 5.258 1.00 0.00 H new ATOM 138 N ASP A 46 2.550 0.566 8.261 1.00 0.00 N ATOM 139 CA ASP A 46 1.354 0.582 9.116 1.00 0.00 C ATOM 140 C ASP A 46 0.392 1.712 8.741 1.00 0.00 C ATOM 141 O ASP A 46 0.796 2.692 8.116 1.00 0.00 O ATOM 142 CB ASP A 46 1.725 0.751 10.585 1.00 0.00 C ATOM 143 CG ASP A 46 2.376 -0.488 11.203 1.00 0.00 C ATOM 144 OD1 ASP A 46 1.844 -1.598 10.947 1.00 0.00 O ATOM 145 OD2 ASP A 46 3.343 -0.296 11.963 1.00 0.00 O ATOM 0 H ASP A 46 3.000 1.479 8.195 1.00 0.00 H new ATOM 0 HA ASP A 46 0.863 -0.378 8.959 1.00 0.00 H new ATOM 0 HB2 ASP A 46 2.407 1.596 10.683 1.00 0.00 H new ATOM 0 HB3 ASP A 46 0.827 0.999 11.151 1.00 0.00 H new ATOM 146 N GLY A 47 -0.886 1.419 8.945 1.00 0.00 N ATOM 147 CA GLY A 47 -1.960 2.422 8.930 1.00 0.00 C ATOM 148 C GLY A 47 -2.040 3.191 10.244 1.00 0.00 C ATOM 149 O GLY A 47 -1.234 2.985 11.159 1.00 0.00 O ATOM 0 H GLY A 47 -1.216 0.471 9.128 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -1.792 3.121 8.110 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -2.914 1.930 8.739 1.00 0.00 H new ATOM 150 N THR A 48 -3.144 3.916 10.400 1.00 0.00 N ATOM 151 CA THR A 48 -3.187 5.021 11.373 1.00 0.00 C ATOM 152 C THR A 48 -4.560 5.608 11.684 1.00 0.00 C ATOM 153 O THR A 48 -5.296 6.063 10.809 1.00 0.00 O ATOM 154 CB THR A 48 -2.222 6.137 10.911 1.00 0.00 C ATOM 155 OG1 THR A 48 -2.171 7.127 11.930 1.00 0.00 O ATOM 156 CG2 THR A 48 -2.512 6.701 9.513 1.00 0.00 C ATOM 0 H THR A 48 -4.009 3.769 9.880 1.00 0.00 H new ATOM 0 HA THR A 48 -2.878 4.575 12.318 1.00 0.00 H new ATOM 0 HB THR A 48 -1.232 5.701 10.777 1.00 0.00 H new ATOM 0 HG1 THR A 48 -1.290 7.556 11.925 1.00 0.00 H new ATOM 0 HG21 THR A 48 -1.785 7.477 9.276 1.00 0.00 H new ATOM 0 HG22 THR A 48 -2.442 5.901 8.776 1.00 0.00 H new ATOM 0 HG23 THR A 48 -3.516 7.126 9.493 1.00 0.00 H new ATOM 157 N ARG A 49 -4.915 5.463 12.965 1.00 0.00 N ATOM 158 CA ARG A 49 -6.052 6.172 13.585 1.00 0.00 C ATOM 159 C ARG A 49 -5.893 7.705 13.553 1.00 0.00 C ATOM 160 O ARG A 49 -6.871 8.438 13.378 1.00 0.00 O ATOM 161 CB ARG A 49 -6.183 5.717 15.039 1.00 0.00 C ATOM 162 CG ARG A 49 -7.378 4.788 15.306 1.00 0.00 C ATOM 163 CD ARG A 49 -7.317 3.482 14.507 1.00 0.00 C ATOM 164 NE ARG A 49 -8.171 3.603 13.312 1.00 0.00 N ATOM 165 CZ ARG A 49 -9.018 2.687 12.853 1.00 0.00 C ATOM 166 NH1 ARG A 49 -9.166 1.502 13.454 1.00 0.00 N ATOM 167 NH2 ARG A 49 -9.780 2.961 11.807 1.00 0.00 N ATOM 0 H ARG A 49 -4.421 4.847 13.610 1.00 0.00 H new ATOM 0 HA ARG A 49 -6.943 5.927 13.008 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -5.267 5.204 15.331 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -6.272 6.597 15.676 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -7.418 4.554 16.370 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -8.301 5.314 15.061 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -6.289 3.269 14.214 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -7.651 2.648 15.124 1.00 0.00 H new ATOM 0 HE ARG A 49 -8.106 4.474 12.786 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -8.621 1.281 14.288 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -9.824 0.819 13.079 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -9.717 3.873 11.355 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -10.431 2.260 11.453 1.00 0.00 H new ATOM 168 N ASP A 50 -4.635 8.138 13.613 1.00 0.00 N ATOM 169 CA ASP A 50 -4.255 9.557 13.641 1.00 0.00 C ATOM 170 C ASP A 50 -2.844 9.702 13.049 1.00 0.00 C ATOM 171 O ASP A 50 -1.857 9.301 13.681 1.00 0.00 O ATOM 172 CB ASP A 50 -4.283 10.060 15.097 1.00 0.00 C ATOM 173 CG ASP A 50 -4.427 11.579 15.234 1.00 0.00 C ATOM 174 OD1 ASP A 50 -4.163 12.305 14.248 1.00 0.00 O ATOM 175 OD2 ASP A 50 -4.778 11.986 16.358 1.00 0.00 O ATOM 0 H ASP A 50 -3.835 7.506 13.644 1.00 0.00 H new ATOM 0 HA ASP A 50 -4.954 10.151 13.052 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -5.110 9.579 15.620 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -3.366 9.747 15.595 1.00 0.00 H new ATOM 176 N ARG A 51 -2.814 10.148 11.804 1.00 0.00 N ATOM 177 CA ARG A 51 -1.585 10.345 10.997 1.00 0.00 C ATOM 178 C ARG A 51 -0.431 10.947 11.802 1.00 0.00 C ATOM 179 O ARG A 51 -0.508 12.064 12.313 1.00 0.00 O ATOM 180 CB ARG A 51 -1.928 11.216 9.787 1.00 0.00 C ATOM 181 CG ARG A 51 -2.894 10.479 8.852 1.00 0.00 C ATOM 182 CD ARG A 51 -4.151 11.286 8.549 1.00 0.00 C ATOM 183 NE ARG A 51 -4.961 11.605 9.743 1.00 0.00 N ATOM 184 CZ ARG A 51 -5.607 10.758 10.562 1.00 0.00 C ATOM 185 NH1 ARG A 51 -5.652 9.452 10.380 1.00 0.00 N ATOM 186 NH2 ARG A 51 -6.289 11.255 11.576 1.00 0.00 N ATOM 0 H ARG A 51 -3.663 10.396 11.296 1.00 0.00 H new ATOM 0 HA ARG A 51 -1.233 9.367 10.668 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -2.378 12.151 10.120 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -1.017 11.475 9.248 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -2.383 10.247 7.918 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -3.178 9.529 9.305 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -3.864 12.216 8.058 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -4.767 10.729 7.843 1.00 0.00 H new ATOM 0 HE ARG A 51 -5.040 12.595 9.975 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -5.178 9.032 9.580 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -6.160 8.862 11.039 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -6.318 12.264 11.725 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -6.787 10.631 12.210 1.00 0.00 H new ATOM 187 N SER A 52 0.621 10.135 11.930 1.00 0.00 N ATOM 188 CA SER A 52 1.807 10.405 12.774 1.00 0.00 C ATOM 189 C SER A 52 2.762 11.432 12.161 1.00 0.00 C ATOM 190 O SER A 52 3.823 11.135 11.605 1.00 0.00 O ATOM 191 CB SER A 52 2.540 9.093 13.005 1.00 0.00 C ATOM 192 OG SER A 52 1.660 8.119 13.582 1.00 0.00 O ATOM 0 H SER A 52 0.681 9.243 11.439 1.00 0.00 H new ATOM 0 HA SER A 52 1.457 10.834 13.713 1.00 0.00 H new ATOM 0 HB2 SER A 52 2.935 8.720 12.060 1.00 0.00 H new ATOM 0 HB3 SER A 52 3.392 9.257 13.664 1.00 0.00 H new ATOM 0 HG SER A 52 2.142 7.606 14.264 1.00 0.00 H new ATOM 193 N ASP A 53 2.164 12.603 12.097 1.00 0.00 N ATOM 194 CA ASP A 53 2.710 13.944 11.768 1.00 0.00 C ATOM 195 C ASP A 53 3.340 14.180 10.385 1.00 0.00 C ATOM 196 O ASP A 53 3.001 15.148 9.710 1.00 0.00 O ATOM 197 CB ASP A 53 3.618 14.488 12.896 1.00 0.00 C ATOM 198 CG ASP A 53 4.806 13.590 13.265 1.00 0.00 C ATOM 199 OD1 ASP A 53 4.601 12.688 14.109 1.00 0.00 O ATOM 200 OD2 ASP A 53 5.899 13.834 12.700 1.00 0.00 O ATOM 0 H ASP A 53 1.165 12.667 12.294 1.00 0.00 H new ATOM 0 HA ASP A 53 1.791 14.526 11.693 1.00 0.00 H new ATOM 0 HB2 ASP A 53 4.000 15.464 12.595 1.00 0.00 H new ATOM 0 HB3 ASP A 53 3.010 14.644 13.787 1.00 0.00 H new ATOM 201 N GLN A 54 4.160 13.231 9.985 1.00 0.00 N ATOM 202 CA GLN A 54 4.999 13.311 8.774 1.00 0.00 C ATOM 203 C GLN A 54 4.901 12.052 7.872 1.00 0.00 C ATOM 204 O GLN A 54 4.256 12.106 6.838 1.00 0.00 O ATOM 205 CB GLN A 54 6.433 13.566 9.236 1.00 0.00 C ATOM 206 CG GLN A 54 7.415 13.881 8.100 1.00 0.00 C ATOM 207 CD GLN A 54 8.882 13.687 8.515 1.00 0.00 C ATOM 208 OE1 GLN A 54 9.249 13.605 9.686 1.00 0.00 O ATOM 209 NE2 GLN A 54 9.750 13.470 7.559 1.00 0.00 N ATOM 0 H GLN A 54 4.276 12.355 10.495 1.00 0.00 H new ATOM 0 HA GLN A 54 4.642 14.125 8.143 1.00 0.00 H new ATOM 0 HB2 GLN A 54 6.433 14.397 9.941 1.00 0.00 H new ATOM 0 HB3 GLN A 54 6.790 12.689 9.776 1.00 0.00 H new ATOM 0 HG2 GLN A 54 7.195 13.240 7.247 1.00 0.00 H new ATOM 0 HG3 GLN A 54 7.267 14.910 7.772 1.00 0.00 H new ATOM 0 HE21 GLN A 54 9.461 13.534 6.583 1.00 0.00 H new ATOM 0 HE22 GLN A 54 10.716 13.237 7.790 1.00 0.00 H new ATOM 210 N HIS A 55 5.313 10.908 8.422 1.00 0.00 N ATOM 211 CA HIS A 55 5.718 9.678 7.678 1.00 0.00 C ATOM 212 C HIS A 55 4.700 8.956 6.762 1.00 0.00 C ATOM 213 O HIS A 55 5.059 7.968 6.115 1.00 0.00 O ATOM 214 CB HIS A 55 6.340 8.699 8.688 1.00 0.00 C ATOM 215 CG HIS A 55 7.198 9.404 9.752 1.00 0.00 C ATOM 216 ND1 HIS A 55 6.770 9.683 10.976 1.00 0.00 N ATOM 217 CD2 HIS A 55 8.284 10.144 9.531 1.00 0.00 C ATOM 218 CE1 HIS A 55 7.544 10.620 11.498 1.00 0.00 C ATOM 219 NE2 HIS A 55 8.478 10.914 10.597 1.00 0.00 N ATOM 0 H HIS A 55 5.382 10.792 9.433 1.00 0.00 H new ATOM 0 HA HIS A 55 6.416 10.050 6.928 1.00 0.00 H new ATOM 0 HB2 HIS A 55 5.545 8.140 9.181 1.00 0.00 H new ATOM 0 HB3 HIS A 55 6.955 7.975 8.154 1.00 0.00 H new ATOM 0 HD2 HIS A 55 8.898 10.122 8.643 1.00 0.00 H new ATOM 0 HE1 HIS A 55 7.437 11.065 12.476 1.00 0.00 H new ATOM 0 HE2 HIS A 55 9.216 11.610 10.706 1.00 0.00 H new ATOM 220 N ILE A 56 3.470 9.447 6.717 1.00 0.00 N ATOM 221 CA ILE A 56 2.338 8.961 5.877 1.00 0.00 C ATOM 222 C ILE A 56 2.587 8.859 4.372 1.00 0.00 C ATOM 223 O ILE A 56 2.455 9.802 3.587 1.00 0.00 O ATOM 224 CB ILE A 56 1.025 9.658 6.259 1.00 0.00 C ATOM 225 CG1 ILE A 56 1.159 11.192 6.349 1.00 0.00 C ATOM 226 CG2 ILE A 56 0.477 9.026 7.546 1.00 0.00 C ATOM 227 CD1 ILE A 56 -0.180 11.932 6.280 1.00 0.00 C ATOM 0 H ILE A 56 3.199 10.244 7.293 1.00 0.00 H new ATOM 0 HA ILE A 56 2.239 7.906 6.132 1.00 0.00 H new ATOM 0 HB ILE A 56 0.302 9.499 5.459 1.00 0.00 H new ATOM 0 HG12 ILE A 56 1.659 11.450 7.283 1.00 0.00 H new ATOM 0 HG13 ILE A 56 1.799 11.540 5.538 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -0.456 9.516 7.823 1.00 0.00 H new ATOM 0 HG22 ILE A 56 0.294 7.964 7.381 1.00 0.00 H new ATOM 0 HG23 ILE A 56 1.204 9.148 8.349 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -0.006 13.006 6.349 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -0.673 11.705 5.335 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -0.815 11.613 7.107 1.00 0.00 H new ATOM 228 N GLN A 57 3.070 7.671 4.049 1.00 0.00 N ATOM 229 CA GLN A 57 3.297 7.168 2.687 1.00 0.00 C ATOM 230 C GLN A 57 1.999 6.991 1.903 1.00 0.00 C ATOM 231 O GLN A 57 1.045 6.389 2.394 1.00 0.00 O ATOM 232 CB GLN A 57 4.059 5.846 2.811 1.00 0.00 C ATOM 233 CG GLN A 57 4.099 4.897 1.608 1.00 0.00 C ATOM 234 CD GLN A 57 4.833 5.438 0.387 1.00 0.00 C ATOM 235 OE1 GLN A 57 4.262 6.090 -0.486 1.00 0.00 O ATOM 236 NE2 GLN A 57 6.114 5.164 0.277 1.00 0.00 N ATOM 0 H GLN A 57 3.331 6.989 4.761 1.00 0.00 H new ATOM 0 HA GLN A 57 3.877 7.897 2.121 1.00 0.00 H new ATOM 0 HB2 GLN A 57 5.089 6.083 3.078 1.00 0.00 H new ATOM 0 HB3 GLN A 57 3.631 5.297 3.650 1.00 0.00 H new ATOM 0 HG2 GLN A 57 4.573 3.965 1.915 1.00 0.00 H new ATOM 0 HG3 GLN A 57 3.076 4.655 1.321 1.00 0.00 H new ATOM 0 HE21 GLN A 57 6.584 4.623 1.003 1.00 0.00 H new ATOM 0 HE22 GLN A 57 6.638 5.492 -0.534 1.00 0.00 H new ATOM 237 N LEU A 58 1.961 7.819 0.863 1.00 0.00 N ATOM 238 CA LEU A 58 1.035 7.708 -0.274 1.00 0.00 C ATOM 239 C LEU A 58 1.300 8.825 -1.290 1.00 0.00 C ATOM 240 O LEU A 58 1.162 10.004 -0.970 1.00 0.00 O ATOM 241 CB LEU A 58 -0.425 7.709 0.179 1.00 0.00 C ATOM 242 CG LEU A 58 -1.411 7.529 -1.002 1.00 0.00 C ATOM 243 CD1 LEU A 58 -1.065 6.324 -1.899 1.00 0.00 C ATOM 244 CD2 LEU A 58 -2.838 7.432 -0.466 1.00 0.00 C ATOM 0 H LEU A 58 2.593 8.615 0.780 1.00 0.00 H new ATOM 0 HA LEU A 58 1.217 6.749 -0.759 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -0.579 6.908 0.902 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -0.643 8.646 0.691 1.00 0.00 H new ATOM 0 HG LEU A 58 -1.323 8.407 -1.642 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -1.792 6.252 -2.708 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -0.068 6.457 -2.319 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -1.090 5.410 -1.306 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -3.531 7.305 -1.298 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -2.917 6.577 0.206 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -3.086 8.344 0.077 1.00 0.00 H new ATOM 245 N GLN A 59 2.032 8.384 -2.309 1.00 0.00 N ATOM 246 CA GLN A 59 2.152 9.113 -3.574 1.00 0.00 C ATOM 247 C GLN A 59 2.751 8.226 -4.663 1.00 0.00 C ATOM 248 O GLN A 59 3.871 7.749 -4.549 1.00 0.00 O ATOM 249 CB GLN A 59 3.057 10.340 -3.365 1.00 0.00 C ATOM 250 CG GLN A 59 2.894 11.482 -4.365 1.00 0.00 C ATOM 251 CD GLN A 59 3.224 11.047 -5.796 1.00 0.00 C ATOM 252 OE1 GLN A 59 2.357 10.831 -6.628 1.00 0.00 O ATOM 253 NE2 GLN A 59 4.483 10.745 -6.046 1.00 0.00 N ATOM 0 H GLN A 59 2.560 7.512 -2.284 1.00 0.00 H new ATOM 0 HA GLN A 59 1.157 9.425 -3.891 1.00 0.00 H new ATOM 0 HB2 GLN A 59 2.874 10.733 -2.365 1.00 0.00 H new ATOM 0 HB3 GLN A 59 4.095 10.008 -3.392 1.00 0.00 H new ATOM 0 HG2 GLN A 59 1.870 11.853 -4.327 1.00 0.00 H new ATOM 0 HG3 GLN A 59 3.544 12.309 -4.079 1.00 0.00 H new ATOM 0 HE21 GLN A 59 5.201 10.929 -5.345 1.00 0.00 H new ATOM 0 HE22 GLN A 59 4.739 10.327 -6.941 1.00 0.00 H new ATOM 254 N LEU A 60 2.032 8.120 -5.770 1.00 0.00 N ATOM 255 CA LEU A 60 2.477 7.208 -6.819 1.00 0.00 C ATOM 256 C LEU A 60 3.120 7.794 -8.077 1.00 0.00 C ATOM 257 O LEU A 60 2.514 8.441 -8.922 1.00 0.00 O ATOM 258 CB LEU A 60 1.539 6.052 -7.206 1.00 0.00 C ATOM 259 CG LEU A 60 0.028 6.294 -7.269 1.00 0.00 C ATOM 260 CD1 LEU A 60 -0.498 6.272 -5.848 1.00 0.00 C ATOM 261 CD2 LEU A 60 -0.413 7.523 -8.075 1.00 0.00 C ATOM 0 H LEU A 60 1.171 8.631 -5.965 1.00 0.00 H new ATOM 0 HA LEU A 60 3.293 6.785 -6.233 1.00 0.00 H new ATOM 0 HB2 LEU A 60 1.853 5.691 -8.185 1.00 0.00 H new ATOM 0 HB3 LEU A 60 1.710 5.241 -6.498 1.00 0.00 H new ATOM 0 HG LEU A 60 -0.423 5.489 -7.850 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -1.575 6.442 -5.856 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -0.287 5.303 -5.397 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -0.011 7.056 -5.268 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -1.500 7.601 -8.055 1.00 0.00 H new ATOM 0 HD22 LEU A 60 0.023 8.421 -7.637 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -0.076 7.422 -9.107 1.00 0.00 H new ATOM 262 N SER A 61 4.360 7.342 -8.187 1.00 0.00 N ATOM 263 CA SER A 61 5.245 7.593 -9.340 1.00 0.00 C ATOM 264 C SER A 61 5.129 6.393 -10.289 1.00 0.00 C ATOM 265 O SER A 61 5.785 5.361 -10.169 1.00 0.00 O ATOM 266 CB SER A 61 6.686 7.657 -8.865 1.00 0.00 C ATOM 267 OG SER A 61 6.822 8.574 -7.776 1.00 0.00 O ATOM 0 H SER A 61 4.801 6.774 -7.463 1.00 0.00 H new ATOM 0 HA SER A 61 4.965 8.526 -9.828 1.00 0.00 H new ATOM 0 HB2 SER A 61 7.016 6.665 -8.555 1.00 0.00 H new ATOM 0 HB3 SER A 61 7.331 7.964 -9.688 1.00 0.00 H new ATOM 0 HG SER A 61 7.757 8.599 -7.484 1.00 0.00 H new ATOM 268 N ALA A 62 4.026 6.445 -11.017 1.00 0.00 N ATOM 269 CA ALA A 62 3.708 5.427 -12.037 1.00 0.00 C ATOM 270 C ALA A 62 4.639 5.419 -13.240 1.00 0.00 C ATOM 271 O ALA A 62 4.655 6.316 -14.084 1.00 0.00 O ATOM 272 CB ALA A 62 2.232 5.511 -12.444 1.00 0.00 C ATOM 0 H ALA A 62 3.325 7.180 -10.929 1.00 0.00 H new ATOM 0 HA ALA A 62 3.884 4.463 -11.561 1.00 0.00 H new ATOM 0 HB1 ALA A 62 2.018 4.752 -13.197 1.00 0.00 H new ATOM 0 HB2 ALA A 62 1.603 5.342 -11.570 1.00 0.00 H new ATOM 0 HB3 ALA A 62 2.024 6.499 -12.855 1.00 0.00 H new ATOM 273 N GLU A 63 5.368 4.321 -13.279 1.00 0.00 N ATOM 274 CA GLU A 63 6.427 4.036 -14.270 1.00 0.00 C ATOM 275 C GLU A 63 5.876 3.745 -15.677 1.00 0.00 C ATOM 276 O GLU A 63 6.554 3.994 -16.673 1.00 0.00 O ATOM 277 CB GLU A 63 7.223 2.827 -13.764 1.00 0.00 C ATOM 278 CG GLU A 63 8.549 2.677 -14.510 1.00 0.00 C ATOM 279 CD GLU A 63 8.983 1.212 -14.527 1.00 0.00 C ATOM 280 OE1 GLU A 63 8.331 0.442 -15.264 1.00 0.00 O ATOM 281 OE2 GLU A 63 9.938 0.893 -13.774 1.00 0.00 O ATOM 0 H GLU A 63 5.247 3.566 -12.604 1.00 0.00 H new ATOM 0 HA GLU A 63 7.054 4.922 -14.367 1.00 0.00 H new ATOM 0 HB2 GLU A 63 7.415 2.937 -12.697 1.00 0.00 H new ATOM 0 HB3 GLU A 63 6.630 1.921 -13.889 1.00 0.00 H new ATOM 0 HG2 GLU A 63 8.444 3.044 -15.531 1.00 0.00 H new ATOM 0 HG3 GLU A 63 9.315 3.285 -14.030 1.00 0.00 H new ATOM 282 N SER A 64 4.729 3.081 -15.738 1.00 0.00 N ATOM 283 CA SER A 64 4.149 2.562 -16.991 1.00 0.00 C ATOM 284 C SER A 64 2.645 2.263 -16.849 1.00 0.00 C ATOM 285 O SER A 64 1.960 2.878 -16.027 1.00 0.00 O ATOM 286 CB SER A 64 4.972 1.331 -17.382 1.00 0.00 C ATOM 287 OG SER A 64 4.806 0.283 -16.426 1.00 0.00 O ATOM 0 H SER A 64 4.161 2.880 -14.915 1.00 0.00 H new ATOM 0 HA SER A 64 4.202 3.308 -17.784 1.00 0.00 H new ATOM 0 HB2 SER A 64 4.665 0.981 -18.368 1.00 0.00 H new ATOM 0 HB3 SER A 64 6.026 1.601 -17.453 1.00 0.00 H new ATOM 0 HG SER A 64 5.622 -0.259 -16.390 1.00 0.00 H new ATOM 288 N VAL A 65 2.167 1.258 -17.579 1.00 0.00 N ATOM 289 CA VAL A 65 0.764 0.815 -17.662 1.00 0.00 C ATOM 290 C VAL A 65 0.216 0.277 -16.319 1.00 0.00 C ATOM 291 O VAL A 65 0.475 -0.842 -15.888 1.00 0.00 O ATOM 292 CB VAL A 65 0.688 -0.183 -18.837 1.00 0.00 C ATOM 293 CG1 VAL A 65 1.500 -1.461 -18.605 1.00 0.00 C ATOM 294 CG2 VAL A 65 -0.771 -0.480 -19.206 1.00 0.00 C ATOM 0 H VAL A 65 2.780 0.693 -18.166 1.00 0.00 H new ATOM 0 HA VAL A 65 0.099 1.656 -17.860 1.00 0.00 H new ATOM 0 HB VAL A 65 1.161 0.302 -19.691 1.00 0.00 H new ATOM 0 HG11 VAL A 65 1.401 -2.117 -19.470 1.00 0.00 H new ATOM 0 HG12 VAL A 65 2.550 -1.204 -18.462 1.00 0.00 H new ATOM 0 HG13 VAL A 65 1.128 -1.973 -17.718 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -0.800 -1.186 -20.036 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -1.283 -0.911 -18.346 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -1.268 0.445 -19.498 1.00 0.00 H new ATOM 295 N GLY A 66 -0.343 1.228 -15.585 1.00 0.00 N ATOM 296 CA GLY A 66 -0.911 1.034 -14.232 1.00 0.00 C ATOM 297 C GLY A 66 0.122 0.772 -13.126 1.00 0.00 C ATOM 298 O GLY A 66 -0.220 0.739 -11.951 1.00 0.00 O ATOM 0 H GLY A 66 -0.423 2.191 -15.913 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -1.489 1.919 -13.966 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -1.608 0.196 -14.263 1.00 0.00 H new ATOM 299 N GLU A 67 1.370 0.581 -13.527 1.00 0.00 N ATOM 300 CA GLU A 67 2.470 0.198 -12.643 1.00 0.00 C ATOM 301 C GLU A 67 3.031 1.373 -11.836 1.00 0.00 C ATOM 302 O GLU A 67 3.766 2.212 -12.356 1.00 0.00 O ATOM 303 CB GLU A 67 3.569 -0.394 -13.516 1.00 0.00 C ATOM 304 CG GLU A 67 3.181 -1.740 -14.123 1.00 0.00 C ATOM 305 CD GLU A 67 4.180 -2.246 -15.175 1.00 0.00 C ATOM 306 OE1 GLU A 67 5.395 -2.275 -14.864 1.00 0.00 O ATOM 307 OE2 GLU A 67 3.701 -2.543 -16.292 1.00 0.00 O ATOM 0 H GLU A 67 1.657 0.690 -14.500 1.00 0.00 H new ATOM 0 HA GLU A 67 2.094 -0.520 -11.914 1.00 0.00 H new ATOM 0 HB2 GLU A 67 3.807 0.306 -14.317 1.00 0.00 H new ATOM 0 HB3 GLU A 67 4.474 -0.516 -12.920 1.00 0.00 H new ATOM 0 HG2 GLU A 67 3.098 -2.479 -13.326 1.00 0.00 H new ATOM 0 HG3 GLU A 67 2.196 -1.653 -14.581 1.00 0.00 H new ATOM 308 N VAL A 68 2.753 1.332 -10.541 1.00 0.00 N ATOM 309 CA VAL A 68 3.043 2.466 -9.635 1.00 0.00 C ATOM 310 C VAL A 68 4.175 2.220 -8.618 1.00 0.00 C ATOM 311 O VAL A 68 4.206 1.219 -7.907 1.00 0.00 O ATOM 312 CB VAL A 68 1.811 2.982 -8.862 1.00 0.00 C ATOM 313 CG1 VAL A 68 0.467 2.768 -9.508 1.00 0.00 C ATOM 314 CG2 VAL A 68 1.472 2.177 -7.636 1.00 0.00 C ATOM 0 H VAL A 68 2.325 0.529 -10.080 1.00 0.00 H new ATOM 0 HA VAL A 68 3.377 3.227 -10.341 1.00 0.00 H new ATOM 0 HB VAL A 68 2.137 4.015 -8.744 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -0.314 3.175 -8.866 1.00 0.00 H new ATOM 0 HG12 VAL A 68 0.443 3.274 -10.473 1.00 0.00 H new ATOM 0 HG13 VAL A 68 0.299 1.701 -9.653 1.00 0.00 H new ATOM 0 HG21 VAL A 68 0.595 2.605 -7.151 1.00 0.00 H new ATOM 0 HG22 VAL A 68 1.261 1.147 -7.924 1.00 0.00 H new ATOM 0 HG23 VAL A 68 2.314 2.195 -6.944 1.00 0.00 H new ATOM 315 N TYR A 69 5.054 3.210 -8.519 1.00 0.00 N ATOM 316 CA TYR A 69 6.036 3.252 -7.436 1.00 0.00 C ATOM 317 C TYR A 69 5.527 4.192 -6.343 1.00 0.00 C ATOM 318 O TYR A 69 5.468 5.401 -6.533 1.00 0.00 O ATOM 319 CB TYR A 69 7.400 3.762 -7.890 1.00 0.00 C ATOM 320 CG TYR A 69 8.223 2.765 -8.694 1.00 0.00 C ATOM 321 CD1 TYR A 69 8.526 1.500 -8.138 1.00 0.00 C ATOM 322 CD2 TYR A 69 8.712 3.173 -9.951 1.00 0.00 C ATOM 323 CE1 TYR A 69 9.323 0.610 -8.878 1.00 0.00 C ATOM 324 CE2 TYR A 69 9.517 2.272 -10.686 1.00 0.00 C ATOM 325 CZ TYR A 69 9.792 0.999 -10.142 1.00 0.00 C ATOM 326 OH TYR A 69 10.439 0.089 -10.917 1.00 0.00 O ATOM 0 H TYR A 69 5.109 3.992 -9.171 1.00 0.00 H new ATOM 0 HA TYR A 69 6.158 2.230 -7.077 1.00 0.00 H new ATOM 0 HB2 TYR A 69 7.254 4.659 -8.492 1.00 0.00 H new ATOM 0 HB3 TYR A 69 7.972 4.057 -7.011 1.00 0.00 H new ATOM 0 HD1 TYR A 69 8.152 1.223 -7.163 1.00 0.00 H new ATOM 0 HD2 TYR A 69 8.477 4.151 -10.344 1.00 0.00 H new ATOM 0 HE1 TYR A 69 9.572 -0.362 -8.478 1.00 0.00 H new ATOM 0 HE2 TYR A 69 9.915 2.554 -11.649 1.00 0.00 H new ATOM 0 HH TYR A 69 10.304 0.309 -11.862 1.00 0.00 H new ATOM 327 N ILE A 70 4.946 3.586 -5.309 1.00 0.00 N ATOM 328 CA ILE A 70 4.350 4.402 -4.233 1.00 0.00 C ATOM 329 C ILE A 70 5.444 4.898 -3.290 1.00 0.00 C ATOM 330 O ILE A 70 6.039 4.178 -2.498 1.00 0.00 O ATOM 331 CB ILE A 70 3.138 3.775 -3.528 1.00 0.00 C ATOM 332 CG1 ILE A 70 2.263 3.082 -4.580 1.00 0.00 C ATOM 333 CG2 ILE A 70 2.308 4.891 -2.906 1.00 0.00 C ATOM 334 CD1 ILE A 70 1.107 2.205 -4.088 1.00 0.00 C ATOM 0 H ILE A 70 4.872 2.576 -5.187 1.00 0.00 H new ATOM 0 HA ILE A 70 3.897 5.272 -4.708 1.00 0.00 H new ATOM 0 HB ILE A 70 3.473 3.067 -2.771 1.00 0.00 H new ATOM 0 HG12 ILE A 70 1.845 3.853 -5.228 1.00 0.00 H new ATOM 0 HG13 ILE A 70 2.912 2.463 -5.199 1.00 0.00 H new ATOM 0 HG21 ILE A 70 1.442 4.462 -2.401 1.00 0.00 H new ATOM 0 HG22 ILE A 70 2.915 5.437 -2.185 1.00 0.00 H new ATOM 0 HG23 ILE A 70 1.971 5.573 -3.687 1.00 0.00 H new ATOM 0 HD11 ILE A 70 0.580 1.783 -4.944 1.00 0.00 H new ATOM 0 HD12 ILE A 70 1.500 1.398 -3.470 1.00 0.00 H new ATOM 0 HD13 ILE A 70 0.417 2.809 -3.499 1.00 0.00 H new ATOM 335 N LYS A 71 5.763 6.140 -3.571 1.00 0.00 N ATOM 336 CA LYS A 71 6.857 6.923 -2.993 1.00 0.00 C ATOM 337 C LYS A 71 6.265 7.905 -1.977 1.00 0.00 C ATOM 338 O LYS A 71 5.242 8.538 -2.206 1.00 0.00 O ATOM 339 CB LYS A 71 7.529 7.716 -4.126 1.00 0.00 C ATOM 340 CG LYS A 71 8.834 8.364 -3.656 1.00 0.00 C ATOM 341 CD LYS A 71 9.327 9.457 -4.594 1.00 0.00 C ATOM 342 CE LYS A 71 8.490 10.740 -4.494 1.00 0.00 C ATOM 343 NZ LYS A 71 9.168 11.766 -5.294 1.00 0.00 N ATOM 0 H LYS A 71 5.234 6.678 -4.257 1.00 0.00 H new ATOM 0 HA LYS A 71 7.584 6.274 -2.504 1.00 0.00 H new ATOM 0 HB2 LYS A 71 7.733 7.052 -4.966 1.00 0.00 H new ATOM 0 HB3 LYS A 71 6.848 8.487 -4.487 1.00 0.00 H new ATOM 0 HG2 LYS A 71 8.686 8.786 -2.662 1.00 0.00 H new ATOM 0 HG3 LYS A 71 9.603 7.596 -3.566 1.00 0.00 H new ATOM 0 HD2 LYS A 71 10.367 9.687 -4.364 1.00 0.00 H new ATOM 0 HD3 LYS A 71 9.301 9.090 -5.620 1.00 0.00 H new ATOM 0 HE2 LYS A 71 7.479 10.569 -4.865 1.00 0.00 H new ATOM 0 HE3 LYS A 71 8.399 11.060 -3.456 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 8.628 12.654 -5.250 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 10.125 11.924 -4.917 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 9.233 11.449 -6.282 1.00 0.00 H new ATOM 344 N SER A 72 6.978 8.051 -0.877 1.00 0.00 N ATOM 345 CA SER A 72 6.551 8.954 0.203 1.00 0.00 C ATOM 346 C SER A 72 7.243 10.318 0.107 1.00 0.00 C ATOM 347 O SER A 72 8.439 10.465 0.313 1.00 0.00 O ATOM 348 CB SER A 72 6.799 8.269 1.538 1.00 0.00 C ATOM 349 OG SER A 72 6.690 9.215 2.608 1.00 0.00 O ATOM 0 H SER A 72 7.855 7.562 -0.697 1.00 0.00 H new ATOM 0 HA SER A 72 5.485 9.159 0.108 1.00 0.00 H new ATOM 0 HB2 SER A 72 6.079 7.463 1.681 1.00 0.00 H new ATOM 0 HB3 SER A 72 7.790 7.815 1.544 1.00 0.00 H new ATOM 0 HG SER A 72 6.848 8.762 3.463 1.00 0.00 H new ATOM 350 N THR A 73 6.406 11.342 -0.054 1.00 0.00 N ATOM 351 CA THR A 73 6.839 12.757 -0.022 1.00 0.00 C ATOM 352 C THR A 73 7.363 13.218 1.344 1.00 0.00 C ATOM 353 O THR A 73 7.789 14.360 1.501 1.00 0.00 O ATOM 354 CB THR A 73 5.658 13.640 -0.453 1.00 0.00 C ATOM 355 OG1 THR A 73 4.467 13.125 0.150 1.00 0.00 O ATOM 356 CG2 THR A 73 5.548 13.707 -1.979 1.00 0.00 C ATOM 0 H THR A 73 5.405 11.224 -0.211 1.00 0.00 H new ATOM 0 HA THR A 73 7.680 12.851 -0.709 1.00 0.00 H new ATOM 0 HB THR A 73 5.814 14.664 -0.114 1.00 0.00 H new ATOM 0 HG1 THR A 73 4.261 13.639 0.959 1.00 0.00 H new ATOM 0 HG21 THR A 73 4.704 14.339 -2.256 1.00 0.00 H new ATOM 0 HG22 THR A 73 6.465 14.126 -2.392 1.00 0.00 H new ATOM 0 HG23 THR A 73 5.396 12.704 -2.377 1.00 0.00 H new ATOM 357 N GLU A 74 7.267 12.349 2.358 1.00 0.00 N ATOM 358 CA GLU A 74 7.774 12.620 3.714 1.00 0.00 C ATOM 359 C GLU A 74 8.923 11.722 4.187 1.00 0.00 C ATOM 360 O GLU A 74 9.813 12.180 4.903 1.00 0.00 O ATOM 361 CB GLU A 74 6.616 12.572 4.716 1.00 0.00 C ATOM 362 CG GLU A 74 5.624 13.738 4.545 1.00 0.00 C ATOM 363 CD GLU A 74 4.550 13.503 3.472 1.00 0.00 C ATOM 364 OE1 GLU A 74 4.049 12.362 3.379 1.00 0.00 O ATOM 365 OE2 GLU A 74 4.260 14.474 2.742 1.00 0.00 O ATOM 0 H GLU A 74 6.833 11.431 2.262 1.00 0.00 H new ATOM 0 HA GLU A 74 8.211 13.617 3.662 1.00 0.00 H new ATOM 0 HB2 GLU A 74 6.082 11.628 4.601 1.00 0.00 H new ATOM 0 HB3 GLU A 74 7.018 12.590 5.729 1.00 0.00 H new ATOM 0 HG2 GLU A 74 5.132 13.924 5.500 1.00 0.00 H new ATOM 0 HG3 GLU A 74 6.182 14.640 4.293 1.00 0.00 H new ATOM 366 N THR A 75 8.860 10.445 3.815 1.00 0.00 N ATOM 367 CA THR A 75 9.809 9.368 4.223 1.00 0.00 C ATOM 368 C THR A 75 10.603 8.733 3.077 1.00 0.00 C ATOM 369 O THR A 75 11.559 7.996 3.319 1.00 0.00 O ATOM 370 CB THR A 75 9.076 8.242 4.963 1.00 0.00 C ATOM 371 OG1 THR A 75 7.646 8.336 4.899 1.00 0.00 O ATOM 372 CG2 THR A 75 9.592 8.115 6.399 1.00 0.00 C ATOM 0 H THR A 75 8.125 10.101 3.197 1.00 0.00 H new ATOM 0 HA THR A 75 10.523 9.880 4.869 1.00 0.00 H new ATOM 0 HB THR A 75 9.311 7.318 4.434 1.00 0.00 H new ATOM 0 HG1 THR A 75 7.259 8.013 5.740 1.00 0.00 H new ATOM 0 HG21 THR A 75 9.060 7.311 6.907 1.00 0.00 H new ATOM 0 HG22 THR A 75 10.659 7.891 6.384 1.00 0.00 H new ATOM 0 HG23 THR A 75 9.426 9.052 6.930 1.00 0.00 H new ATOM 373 N GLY A 76 10.135 8.920 1.847 1.00 0.00 N ATOM 374 CA GLY A 76 10.699 8.337 0.608 1.00 0.00 C ATOM 375 C GLY A 76 10.348 6.858 0.467 1.00 0.00 C ATOM 376 O GLY A 76 9.392 6.517 -0.238 1.00 0.00 O ATOM 0 H GLY A 76 9.319 9.504 1.666 1.00 0.00 H new ATOM 0 HA2 GLY A 76 10.322 8.884 -0.256 1.00 0.00 H new ATOM 0 HA3 GLY A 76 11.783 8.455 0.611 1.00 0.00 H new ATOM 377 N GLN A 77 11.081 6.067 1.264 1.00 0.00 N ATOM 378 CA GLN A 77 11.034 4.588 1.345 1.00 0.00 C ATOM 379 C GLN A 77 9.736 3.984 0.794 1.00 0.00 C ATOM 380 O GLN A 77 8.659 4.083 1.386 1.00 0.00 O ATOM 381 CB GLN A 77 11.292 4.110 2.773 1.00 0.00 C ATOM 382 CG GLN A 77 12.754 4.278 3.191 1.00 0.00 C ATOM 383 CD GLN A 77 13.014 3.882 4.646 1.00 0.00 C ATOM 384 OE1 GLN A 77 13.660 4.585 5.411 1.00 0.00 O ATOM 385 NE2 GLN A 77 12.677 2.670 5.038 1.00 0.00 N ATOM 0 H GLN A 77 11.765 6.460 1.910 1.00 0.00 H new ATOM 0 HA GLN A 77 11.834 4.227 0.699 1.00 0.00 H new ATOM 0 HB2 GLN A 77 10.655 4.667 3.460 1.00 0.00 H new ATOM 0 HB3 GLN A 77 11.011 3.060 2.858 1.00 0.00 H new ATOM 0 HG2 GLN A 77 13.384 3.673 2.538 1.00 0.00 H new ATOM 0 HG3 GLN A 77 13.050 5.317 3.046 1.00 0.00 H new ATOM 0 HE21 GLN A 77 12.138 2.065 4.418 1.00 0.00 H new ATOM 0 HE22 GLN A 77 12.955 2.337 5.961 1.00 0.00 H new ATOM 386 N TYR A 78 9.914 3.397 -0.381 1.00 0.00 N ATOM 387 CA TYR A 78 8.814 2.976 -1.257 1.00 0.00 C ATOM 388 C TYR A 78 7.951 1.916 -0.586 1.00 0.00 C ATOM 389 O TYR A 78 8.458 0.992 0.042 1.00 0.00 O ATOM 390 CB TYR A 78 9.384 2.379 -2.558 1.00 0.00 C ATOM 391 CG TYR A 78 10.088 3.408 -3.434 1.00 0.00 C ATOM 392 CD1 TYR A 78 11.363 3.871 -3.058 1.00 0.00 C ATOM 393 CD2 TYR A 78 9.381 3.977 -4.518 1.00 0.00 C ATOM 394 CE1 TYR A 78 11.936 4.954 -3.747 1.00 0.00 C ATOM 395 CE2 TYR A 78 9.962 5.048 -5.225 1.00 0.00 C ATOM 396 CZ TYR A 78 11.217 5.535 -4.805 1.00 0.00 C ATOM 397 OH TYR A 78 11.678 6.698 -5.344 1.00 0.00 O ATOM 0 H TYR A 78 10.837 3.194 -0.764 1.00 0.00 H new ATOM 0 HA TYR A 78 8.205 3.854 -1.470 1.00 0.00 H new ATOM 0 HB2 TYR A 78 10.086 1.584 -2.308 1.00 0.00 H new ATOM 0 HB3 TYR A 78 8.574 1.922 -3.126 1.00 0.00 H new ATOM 0 HD1 TYR A 78 11.897 3.398 -2.247 1.00 0.00 H new ATOM 0 HD2 TYR A 78 8.410 3.596 -4.800 1.00 0.00 H new ATOM 0 HE1 TYR A 78 12.909 5.332 -3.469 1.00 0.00 H new ATOM 0 HE2 TYR A 78 9.456 5.487 -6.072 1.00 0.00 H new ATOM 0 HH TYR A 78 11.081 6.983 -6.067 1.00 0.00 H new ATOM 398 N LEU A 79 6.640 2.148 -0.697 1.00 0.00 N ATOM 399 CA LEU A 79 5.665 1.106 -0.347 1.00 0.00 C ATOM 400 C LEU A 79 5.926 -0.093 -1.252 1.00 0.00 C ATOM 401 O LEU A 79 5.974 0.021 -2.475 1.00 0.00 O ATOM 402 CB LEU A 79 4.242 1.580 -0.571 1.00 0.00 C ATOM 403 CG LEU A 79 3.292 0.731 0.281 1.00 0.00 C ATOM 404 CD1 LEU A 79 3.422 1.190 1.728 1.00 0.00 C ATOM 405 CD2 LEU A 79 1.889 0.962 -0.241 1.00 0.00 C ATOM 0 H LEU A 79 6.234 3.027 -1.019 1.00 0.00 H new ATOM 0 HA LEU A 79 5.777 0.853 0.707 1.00 0.00 H new ATOM 0 HB2 LEU A 79 4.149 2.632 -0.303 1.00 0.00 H new ATOM 0 HB3 LEU A 79 3.979 1.496 -1.625 1.00 0.00 H new ATOM 0 HG LEU A 79 3.525 -0.332 0.229 1.00 0.00 H new ATOM 0 HD11 LEU A 79 2.755 0.601 2.358 1.00 0.00 H new ATOM 0 HD12 LEU A 79 4.451 1.054 2.062 1.00 0.00 H new ATOM 0 HD13 LEU A 79 3.153 2.244 1.801 1.00 0.00 H new ATOM 0 HD21 LEU A 79 1.182 0.372 0.343 1.00 0.00 H new ATOM 0 HD22 LEU A 79 1.638 2.019 -0.154 1.00 0.00 H new ATOM 0 HD23 LEU A 79 1.836 0.661 -1.287 1.00 0.00 H new ATOM 406 N ALA A 80 6.214 -1.188 -0.577 1.00 0.00 N ATOM 407 CA ALA A 80 6.748 -2.400 -1.195 1.00 0.00 C ATOM 408 C ALA A 80 6.142 -3.655 -0.570 1.00 0.00 C ATOM 409 O ALA A 80 5.501 -3.592 0.476 1.00 0.00 O ATOM 410 CB ALA A 80 8.250 -2.366 -0.943 1.00 0.00 C ATOM 0 H ALA A 80 6.084 -1.269 0.431 1.00 0.00 H new ATOM 0 HA ALA A 80 6.509 -2.432 -2.258 1.00 0.00 H new ATOM 0 HB1 ALA A 80 8.713 -3.250 -1.382 1.00 0.00 H new ATOM 0 HB2 ALA A 80 8.675 -1.471 -1.397 1.00 0.00 H new ATOM 0 HB3 ALA A 80 8.439 -2.353 0.130 1.00 0.00 H new ATOM 411 N MET A 81 6.445 -4.788 -1.184 1.00 0.00 N ATOM 412 CA MET A 81 6.100 -6.087 -0.598 1.00 0.00 C ATOM 413 C MET A 81 7.259 -7.064 -0.689 1.00 0.00 C ATOM 414 O MET A 81 8.095 -7.034 -1.598 1.00 0.00 O ATOM 415 CB MET A 81 4.839 -6.642 -1.268 1.00 0.00 C ATOM 416 CG MET A 81 4.289 -7.842 -0.501 1.00 0.00 C ATOM 417 SD MET A 81 2.538 -7.734 -0.007 1.00 0.00 S ATOM 418 CE MET A 81 1.744 -7.063 -1.455 1.00 0.00 C ATOM 0 H MET A 81 6.926 -4.842 -2.082 1.00 0.00 H new ATOM 0 HA MET A 81 5.893 -5.945 0.463 1.00 0.00 H new ATOM 0 HB2 MET A 81 4.079 -5.862 -1.322 1.00 0.00 H new ATOM 0 HB3 MET A 81 5.068 -6.936 -2.293 1.00 0.00 H new ATOM 0 HG2 MET A 81 4.419 -8.733 -1.116 1.00 0.00 H new ATOM 0 HG3 MET A 81 4.892 -7.983 0.396 1.00 0.00 H new ATOM 0 HE1 MET A 81 0.690 -7.339 -1.453 1.00 0.00 H new ATOM 0 HE2 MET A 81 1.834 -5.977 -1.449 1.00 0.00 H new ATOM 0 HE3 MET A 81 2.222 -7.462 -2.350 1.00 0.00 H new ATOM 419 N ASP A 82 7.300 -7.861 0.371 1.00 0.00 N ATOM 420 CA ASP A 82 8.256 -8.965 0.529 1.00 0.00 C ATOM 421 C ASP A 82 7.521 -10.309 0.580 1.00 0.00 C ATOM 422 O ASP A 82 6.398 -10.414 1.083 1.00 0.00 O ATOM 423 CB ASP A 82 9.099 -8.749 1.783 1.00 0.00 C ATOM 424 CG ASP A 82 8.272 -8.415 3.035 1.00 0.00 C ATOM 425 OD1 ASP A 82 7.702 -9.388 3.569 1.00 0.00 O ATOM 426 OD2 ASP A 82 8.140 -7.217 3.345 1.00 0.00 O ATOM 0 H ASP A 82 6.663 -7.762 1.161 1.00 0.00 H new ATOM 0 HA ASP A 82 8.923 -8.984 -0.333 1.00 0.00 H new ATOM 0 HB2 ASP A 82 9.685 -9.648 1.975 1.00 0.00 H new ATOM 0 HB3 ASP A 82 9.806 -7.940 1.599 1.00 0.00 H new ATOM 427 N THR A 83 8.319 -11.330 0.289 1.00 0.00 N ATOM 428 CA THR A 83 7.924 -12.760 0.221 1.00 0.00 C ATOM 429 C THR A 83 7.194 -13.310 1.457 1.00 0.00 C ATOM 430 O THR A 83 6.523 -14.336 1.382 1.00 0.00 O ATOM 431 CB THR A 83 9.171 -13.641 0.027 1.00 0.00 C ATOM 432 OG1 THR A 83 10.195 -13.163 0.905 1.00 0.00 O ATOM 433 CG2 THR A 83 9.616 -13.666 -1.438 1.00 0.00 C ATOM 0 H THR A 83 9.308 -11.193 0.082 1.00 0.00 H new ATOM 0 HA THR A 83 7.228 -12.798 -0.617 1.00 0.00 H new ATOM 0 HB THR A 83 8.943 -14.677 0.280 1.00 0.00 H new ATOM 0 HG1 THR A 83 11.000 -13.712 0.799 1.00 0.00 H new ATOM 0 HG21 THR A 83 10.499 -14.297 -1.539 1.00 0.00 H new ATOM 0 HG22 THR A 83 8.812 -14.065 -2.056 1.00 0.00 H new ATOM 0 HG23 THR A 83 9.855 -12.653 -1.763 1.00 0.00 H new ATOM 434 N ASP A 84 7.488 -12.704 2.599 1.00 0.00 N ATOM 435 CA ASP A 84 6.857 -13.006 3.910 1.00 0.00 C ATOM 436 C ASP A 84 5.340 -12.805 3.993 1.00 0.00 C ATOM 437 O ASP A 84 4.715 -13.324 4.920 1.00 0.00 O ATOM 438 CB ASP A 84 7.567 -12.187 4.993 1.00 0.00 C ATOM 439 CG ASP A 84 9.049 -12.523 5.107 1.00 0.00 C ATOM 440 OD1 ASP A 84 9.796 -12.104 4.193 1.00 0.00 O ATOM 441 OD2 ASP A 84 9.408 -13.201 6.094 1.00 0.00 O ATOM 0 H ASP A 84 8.189 -11.966 2.658 1.00 0.00 H new ATOM 0 HA ASP A 84 6.983 -14.078 4.060 1.00 0.00 H new ATOM 0 HB2 ASP A 84 7.455 -11.126 4.772 1.00 0.00 H new ATOM 0 HB3 ASP A 84 7.083 -12.365 5.953 1.00 0.00 H new ATOM 442 N GLY A 85 4.792 -11.986 3.091 1.00 0.00 N ATOM 443 CA GLY A 85 3.343 -11.707 3.064 1.00 0.00 C ATOM 444 C GLY A 85 2.961 -10.547 3.983 1.00 0.00 C ATOM 445 O GLY A 85 1.959 -10.597 4.703 1.00 0.00 O ATOM 0 H GLY A 85 5.325 -11.502 2.368 1.00 0.00 H new ATOM 0 HA2 GLY A 85 3.038 -11.475 2.043 1.00 0.00 H new ATOM 0 HA3 GLY A 85 2.797 -12.601 3.364 1.00 0.00 H new ATOM 446 N LEU A 86 3.695 -9.457 3.747 1.00 0.00 N ATOM 447 CA LEU A 86 3.617 -8.184 4.486 1.00 0.00 C ATOM 448 C LEU A 86 4.377 -7.093 3.707 1.00 0.00 C ATOM 449 O LEU A 86 5.200 -7.380 2.838 1.00 0.00 O ATOM 450 CB LEU A 86 4.063 -8.394 5.942 1.00 0.00 C ATOM 451 CG LEU A 86 5.500 -8.897 6.064 1.00 0.00 C ATOM 452 CD1 LEU A 86 6.387 -7.677 6.310 1.00 0.00 C ATOM 453 CD2 LEU A 86 5.633 -9.897 7.212 1.00 0.00 C ATOM 0 H LEU A 86 4.393 -9.431 3.003 1.00 0.00 H new ATOM 0 HA LEU A 86 2.590 -7.825 4.559 1.00 0.00 H new ATOM 0 HB2 LEU A 86 3.967 -7.453 6.484 1.00 0.00 H new ATOM 0 HB3 LEU A 86 3.393 -9.108 6.421 1.00 0.00 H new ATOM 0 HG LEU A 86 5.799 -9.415 5.153 1.00 0.00 H new ATOM 0 HD11 LEU A 86 7.425 -7.995 6.403 1.00 0.00 H new ATOM 0 HD12 LEU A 86 6.293 -6.984 5.474 1.00 0.00 H new ATOM 0 HD13 LEU A 86 6.076 -7.180 7.229 1.00 0.00 H new ATOM 0 HD21 LEU A 86 6.665 -10.240 7.278 1.00 0.00 H new ATOM 0 HD22 LEU A 86 5.350 -9.416 8.148 1.00 0.00 H new ATOM 0 HD23 LEU A 86 4.978 -10.749 7.030 1.00 0.00 H new ATOM 454 N LEU A 87 3.941 -5.863 3.959 1.00 0.00 N ATOM 455 CA LEU A 87 4.443 -4.664 3.268 1.00 0.00 C ATOM 456 C LEU A 87 5.632 -4.068 4.023 1.00 0.00 C ATOM 457 O LEU A 87 5.626 -3.954 5.253 1.00 0.00 O ATOM 458 CB LEU A 87 3.361 -3.568 3.140 1.00 0.00 C ATOM 459 CG LEU A 87 1.974 -4.082 2.760 1.00 0.00 C ATOM 460 CD1 LEU A 87 0.928 -2.990 2.905 1.00 0.00 C ATOM 461 CD2 LEU A 87 1.975 -4.709 1.371 1.00 0.00 C ATOM 0 H LEU A 87 3.222 -5.661 4.654 1.00 0.00 H new ATOM 0 HA LEU A 87 4.742 -4.986 2.271 1.00 0.00 H new ATOM 0 HB2 LEU A 87 3.289 -3.035 4.088 1.00 0.00 H new ATOM 0 HB3 LEU A 87 3.683 -2.844 2.391 1.00 0.00 H new ATOM 0 HG LEU A 87 1.703 -4.874 3.458 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -0.050 -3.384 2.628 1.00 0.00 H new ATOM 0 HD12 LEU A 87 0.901 -2.647 3.939 1.00 0.00 H new ATOM 0 HD13 LEU A 87 1.181 -2.155 2.252 1.00 0.00 H new ATOM 0 HD21 LEU A 87 0.973 -5.065 1.132 1.00 0.00 H new ATOM 0 HD22 LEU A 87 2.281 -3.965 0.636 1.00 0.00 H new ATOM 0 HD23 LEU A 87 2.672 -5.547 1.351 1.00 0.00 H new ATOM 462 N TYR A 88 6.634 -3.690 3.245 1.00 0.00 N ATOM 463 CA TYR A 88 7.796 -2.946 3.771 1.00 0.00 C ATOM 464 C TYR A 88 8.072 -1.641 3.029 1.00 0.00 C ATOM 465 O TYR A 88 7.481 -1.360 1.998 1.00 0.00 O ATOM 466 CB TYR A 88 9.078 -3.787 3.901 1.00 0.00 C ATOM 467 CG TYR A 88 9.788 -4.283 2.645 1.00 0.00 C ATOM 468 CD1 TYR A 88 9.083 -4.694 1.499 1.00 0.00 C ATOM 469 CD2 TYR A 88 11.194 -4.393 2.733 1.00 0.00 C ATOM 470 CE1 TYR A 88 9.803 -5.209 0.406 1.00 0.00 C ATOM 471 CE2 TYR A 88 11.908 -4.917 1.649 1.00 0.00 C ATOM 472 CZ TYR A 88 11.201 -5.309 0.489 1.00 0.00 C ATOM 473 OH TYR A 88 11.914 -5.693 -0.600 1.00 0.00 O ATOM 0 H TYR A 88 6.677 -3.881 2.244 1.00 0.00 H new ATOM 0 HA TYR A 88 7.492 -2.685 4.785 1.00 0.00 H new ATOM 0 HB2 TYR A 88 9.797 -3.198 4.470 1.00 0.00 H new ATOM 0 HB3 TYR A 88 8.834 -4.662 4.504 1.00 0.00 H new ATOM 0 HD1 TYR A 88 8.007 -4.615 1.459 1.00 0.00 H new ATOM 0 HD2 TYR A 88 11.712 -4.076 3.626 1.00 0.00 H new ATOM 0 HE1 TYR A 88 9.286 -5.524 -0.488 1.00 0.00 H new ATOM 0 HE2 TYR A 88 12.982 -5.020 1.698 1.00 0.00 H new ATOM 0 HH TYR A 88 12.868 -5.711 -0.377 1.00 0.00 H new ATOM 474 N GLY A 89 8.832 -0.793 3.710 1.00 0.00 N ATOM 475 CA GLY A 89 9.342 0.475 3.149 1.00 0.00 C ATOM 476 C GLY A 89 10.743 0.279 2.566 1.00 0.00 C ATOM 477 O GLY A 89 11.747 0.670 3.177 1.00 0.00 O ATOM 0 H GLY A 89 9.120 -0.957 4.675 1.00 0.00 H new ATOM 0 HA2 GLY A 89 8.666 0.834 2.373 1.00 0.00 H new ATOM 0 HA3 GLY A 89 9.369 1.239 3.926 1.00 0.00 H new ATOM 478 N SER A 90 10.763 -0.374 1.412 1.00 0.00 N ATOM 479 CA SER A 90 12.005 -0.618 0.647 1.00 0.00 C ATOM 480 C SER A 90 12.505 0.662 -0.031 1.00 0.00 C ATOM 481 O SER A 90 11.819 1.267 -0.853 1.00 0.00 O ATOM 482 CB SER A 90 11.822 -1.747 -0.364 1.00 0.00 C ATOM 483 OG SER A 90 12.960 -1.859 -1.225 1.00 0.00 O ATOM 0 H SER A 90 9.926 -0.754 0.970 1.00 0.00 H new ATOM 0 HA SER A 90 12.770 -0.933 1.357 1.00 0.00 H new ATOM 0 HB2 SER A 90 11.667 -2.689 0.162 1.00 0.00 H new ATOM 0 HB3 SER A 90 10.928 -1.564 -0.960 1.00 0.00 H new ATOM 0 HG SER A 90 12.825 -1.301 -2.019 1.00 0.00 H new ATOM 484 N GLN A 91 13.617 1.139 0.500 1.00 0.00 N ATOM 485 CA GLN A 91 14.410 2.286 -0.014 1.00 0.00 C ATOM 486 C GLN A 91 14.542 2.293 -1.541 1.00 0.00 C ATOM 487 O GLN A 91 14.456 3.331 -2.204 1.00 0.00 O ATOM 488 CB GLN A 91 15.851 2.192 0.512 1.00 0.00 C ATOM 489 CG GLN A 91 16.032 2.271 2.045 1.00 0.00 C ATOM 490 CD GLN A 91 15.563 1.023 2.800 1.00 0.00 C ATOM 491 OE1 GLN A 91 15.648 -0.111 2.339 1.00 0.00 O ATOM 492 NE2 GLN A 91 14.979 1.219 3.948 1.00 0.00 N ATOM 0 H GLN A 91 14.026 0.731 1.341 1.00 0.00 H new ATOM 0 HA GLN A 91 13.881 3.179 0.318 1.00 0.00 H new ATOM 0 HB2 GLN A 91 16.280 1.252 0.166 1.00 0.00 H new ATOM 0 HB3 GLN A 91 16.433 2.994 0.058 1.00 0.00 H new ATOM 0 HG2 GLN A 91 17.086 2.441 2.266 1.00 0.00 H new ATOM 0 HG3 GLN A 91 15.484 3.136 2.420 1.00 0.00 H new ATOM 0 HE21 GLN A 91 14.909 2.162 4.330 1.00 0.00 H new ATOM 0 HE22 GLN A 91 14.592 0.429 4.465 1.00 0.00 H new ATOM 493 N THR A 92 14.801 1.091 -2.047 1.00 0.00 N ATOM 494 CA THR A 92 15.110 0.780 -3.445 1.00 0.00 C ATOM 495 C THR A 92 13.793 0.409 -4.140 1.00 0.00 C ATOM 496 O THR A 92 13.082 -0.463 -3.628 1.00 0.00 O ATOM 497 CB THR A 92 16.041 -0.434 -3.453 1.00 0.00 C ATOM 498 OG1 THR A 92 17.025 -0.306 -2.435 1.00 0.00 O ATOM 499 CG2 THR A 92 16.737 -0.583 -4.809 1.00 0.00 C ATOM 0 H THR A 92 14.802 0.257 -1.460 1.00 0.00 H new ATOM 0 HA THR A 92 15.581 1.622 -3.952 1.00 0.00 H new ATOM 0 HB THR A 92 15.434 -1.320 -3.268 1.00 0.00 H new ATOM 0 HG1 THR A 92 17.614 -1.089 -2.449 1.00 0.00 H new ATOM 0 HG21 THR A 92 17.393 -1.453 -4.788 1.00 0.00 H new ATOM 0 HG22 THR A 92 15.988 -0.712 -5.590 1.00 0.00 H new ATOM 0 HG23 THR A 92 17.326 0.310 -5.016 1.00 0.00 H new ATOM 500 N PRO A 93 13.454 1.035 -5.268 1.00 0.00 N ATOM 501 CA PRO A 93 12.320 0.622 -6.072 1.00 0.00 C ATOM 502 C PRO A 93 12.677 -0.564 -6.965 1.00 0.00 C ATOM 503 O PRO A 93 13.734 -0.624 -7.604 1.00 0.00 O ATOM 504 CB PRO A 93 11.878 1.831 -6.876 1.00 0.00 C ATOM 505 CG PRO A 93 13.191 2.594 -7.081 1.00 0.00 C ATOM 506 CD PRO A 93 14.036 2.266 -5.845 1.00 0.00 C ATOM 0 HA PRO A 93 11.502 0.278 -5.439 1.00 0.00 H new ATOM 0 HB2 PRO A 93 11.424 1.543 -7.824 1.00 0.00 H new ATOM 0 HB3 PRO A 93 11.142 2.428 -6.338 1.00 0.00 H new ATOM 0 HG2 PRO A 93 13.692 2.279 -7.997 1.00 0.00 H new ATOM 0 HG3 PRO A 93 13.015 3.666 -7.166 1.00 0.00 H new ATOM 0 HD2 PRO A 93 15.081 2.114 -6.116 1.00 0.00 H new ATOM 0 HD3 PRO A 93 14.009 3.085 -5.126 1.00 0.00 H new ATOM 507 N ASN A 94 11.881 -1.590 -6.755 1.00 0.00 N ATOM 508 CA ASN A 94 11.972 -2.873 -7.475 1.00 0.00 C ATOM 509 C ASN A 94 10.552 -3.229 -7.931 1.00 0.00 C ATOM 510 O ASN A 94 9.597 -2.535 -7.601 1.00 0.00 O ATOM 511 CB ASN A 94 12.519 -3.885 -6.453 1.00 0.00 C ATOM 512 CG ASN A 94 12.774 -5.299 -6.971 1.00 0.00 C ATOM 513 OD1 ASN A 94 11.898 -6.160 -6.948 1.00 0.00 O ATOM 514 ND2 ASN A 94 13.929 -5.534 -7.555 1.00 0.00 N ATOM 0 H ASN A 94 11.130 -1.570 -6.065 1.00 0.00 H new ATOM 0 HA ASN A 94 12.620 -2.853 -8.351 1.00 0.00 H new ATOM 0 HB2 ASN A 94 13.454 -3.494 -6.051 1.00 0.00 H new ATOM 0 HB3 ASN A 94 11.816 -3.946 -5.622 1.00 0.00 H new ATOM 0 HD21 ASN A 94 14.104 -6.438 -7.994 1.00 0.00 H new ATOM 0 HD22 ASN A 94 14.650 -4.812 -7.569 1.00 0.00 H new ATOM 515 N GLU A 95 10.401 -4.359 -8.616 1.00 0.00 N ATOM 516 CA GLU A 95 9.084 -4.972 -8.874 1.00 0.00 C ATOM 517 C GLU A 95 8.244 -5.077 -7.593 1.00 0.00 C ATOM 518 O GLU A 95 7.016 -5.006 -7.593 1.00 0.00 O ATOM 519 CB GLU A 95 9.237 -6.441 -9.301 1.00 0.00 C ATOM 520 CG GLU A 95 10.155 -6.768 -10.488 1.00 0.00 C ATOM 521 CD GLU A 95 11.622 -6.903 -10.090 1.00 0.00 C ATOM 522 OE1 GLU A 95 12.002 -7.987 -9.606 1.00 0.00 O ATOM 523 OE2 GLU A 95 12.326 -5.873 -10.222 1.00 0.00 O ATOM 0 H GLU A 95 11.182 -4.882 -9.011 1.00 0.00 H new ATOM 0 HA GLU A 95 8.622 -4.341 -9.633 1.00 0.00 H new ATOM 0 HB2 GLU A 95 9.599 -7.001 -8.438 1.00 0.00 H new ATOM 0 HB3 GLU A 95 8.243 -6.823 -9.535 1.00 0.00 H new ATOM 0 HG2 GLU A 95 9.823 -7.697 -10.951 1.00 0.00 H new ATOM 0 HG3 GLU A 95 10.059 -5.985 -11.240 1.00 0.00 H new ATOM 524 N GLU A 96 8.964 -5.385 -6.508 1.00 0.00 N ATOM 525 CA GLU A 96 8.455 -5.411 -5.124 1.00 0.00 C ATOM 526 C GLU A 96 7.697 -4.145 -4.728 1.00 0.00 C ATOM 527 O GLU A 96 6.642 -4.217 -4.108 1.00 0.00 O ATOM 528 CB GLU A 96 9.638 -5.566 -4.180 1.00 0.00 C ATOM 529 CG GLU A 96 10.153 -7.012 -4.272 1.00 0.00 C ATOM 530 CD GLU A 96 11.225 -7.332 -3.230 1.00 0.00 C ATOM 531 OE1 GLU A 96 12.384 -6.943 -3.501 1.00 0.00 O ATOM 532 OE2 GLU A 96 10.900 -8.076 -2.282 1.00 0.00 O ATOM 0 H GLU A 96 9.952 -5.632 -6.567 1.00 0.00 H new ATOM 0 HA GLU A 96 7.754 -6.243 -5.058 1.00 0.00 H new ATOM 0 HB2 GLU A 96 10.429 -4.865 -4.447 1.00 0.00 H new ATOM 0 HB3 GLU A 96 9.339 -5.335 -3.158 1.00 0.00 H new ATOM 0 HG2 GLU A 96 9.316 -7.699 -4.147 1.00 0.00 H new ATOM 0 HG3 GLU A 96 10.560 -7.184 -5.268 1.00 0.00 H new ATOM 533 N CYS A 97 8.242 -3.013 -5.169 1.00 0.00 N ATOM 534 CA CYS A 97 7.737 -1.662 -4.851 1.00 0.00 C ATOM 535 C CYS A 97 6.850 -1.092 -5.976 1.00 0.00 C ATOM 536 O CYS A 97 6.371 0.039 -5.901 1.00 0.00 O ATOM 537 CB CYS A 97 8.972 -0.777 -4.673 1.00 0.00 C ATOM 538 SG CYS A 97 10.274 -1.423 -3.565 1.00 0.00 S ATOM 0 H CYS A 97 9.065 -3.000 -5.771 1.00 0.00 H new ATOM 0 HA CYS A 97 7.117 -1.698 -3.955 1.00 0.00 H new ATOM 0 HB2 CYS A 97 9.413 -0.602 -5.654 1.00 0.00 H new ATOM 0 HB3 CYS A 97 8.648 0.192 -4.292 1.00 0.00 H new ATOM 0 HG CYS A 97 11.291 -0.613 -3.572 1.00 0.00 H new ATOM 539 N LEU A 98 6.578 -1.950 -6.959 1.00 0.00 N ATOM 540 CA LEU A 98 5.843 -1.589 -8.167 1.00 0.00 C ATOM 541 C LEU A 98 4.471 -2.252 -8.201 1.00 0.00 C ATOM 542 O LEU A 98 4.332 -3.479 -8.225 1.00 0.00 O ATOM 543 CB LEU A 98 6.646 -1.871 -9.435 1.00 0.00 C ATOM 544 CG LEU A 98 6.016 -1.115 -10.614 1.00 0.00 C ATOM 545 CD1 LEU A 98 6.002 0.381 -10.380 1.00 0.00 C ATOM 546 CD2 LEU A 98 6.913 -1.210 -11.825 1.00 0.00 C ATOM 0 H LEU A 98 6.867 -2.928 -6.937 1.00 0.00 H new ATOM 0 HA LEU A 98 5.682 -0.511 -8.136 1.00 0.00 H new ATOM 0 HB2 LEU A 98 7.682 -1.559 -9.300 1.00 0.00 H new ATOM 0 HB3 LEU A 98 6.659 -2.941 -9.640 1.00 0.00 H new ATOM 0 HG LEU A 98 5.023 -1.547 -10.734 1.00 0.00 H new ATOM 0 HD11 LEU A 98 5.548 0.879 -11.237 1.00 0.00 H new ATOM 0 HD12 LEU A 98 5.424 0.604 -9.483 1.00 0.00 H new ATOM 0 HD13 LEU A 98 7.024 0.739 -10.251 1.00 0.00 H new ATOM 0 HD21 LEU A 98 6.459 -0.671 -12.657 1.00 0.00 H new ATOM 0 HD22 LEU A 98 7.883 -0.771 -11.594 1.00 0.00 H new ATOM 0 HD23 LEU A 98 7.045 -2.257 -12.099 1.00 0.00 H new ATOM 547 N PHE A 99 3.494 -1.371 -8.268 1.00 0.00 N ATOM 548 CA PHE A 99 2.091 -1.748 -8.114 1.00 0.00 C ATOM 549 C PHE A 99 1.119 -1.493 -9.257 1.00 0.00 C ATOM 550 O PHE A 99 0.831 -0.358 -9.625 1.00 0.00 O ATOM 551 CB PHE A 99 1.542 -1.113 -6.830 1.00 0.00 C ATOM 552 CG PHE A 99 2.141 -1.721 -5.571 1.00 0.00 C ATOM 553 CD1 PHE A 99 1.619 -2.918 -5.023 1.00 0.00 C ATOM 554 CD2 PHE A 99 3.213 -1.053 -4.934 1.00 0.00 C ATOM 555 CE1 PHE A 99 2.169 -3.447 -3.840 1.00 0.00 C ATOM 556 CE2 PHE A 99 3.763 -1.582 -3.751 1.00 0.00 C ATOM 557 CZ PHE A 99 3.236 -2.779 -3.217 1.00 0.00 C ATOM 0 H PHE A 99 3.642 -0.375 -8.430 1.00 0.00 H new ATOM 0 HA PHE A 99 2.138 -2.837 -8.089 1.00 0.00 H new ATOM 0 HB2 PHE A 99 1.745 -0.042 -6.844 1.00 0.00 H new ATOM 0 HB3 PHE A 99 0.459 -1.231 -6.806 1.00 0.00 H new ATOM 0 HD1 PHE A 99 0.800 -3.424 -5.512 1.00 0.00 H new ATOM 0 HD2 PHE A 99 3.608 -0.140 -5.354 1.00 0.00 H new ATOM 0 HE1 PHE A 99 1.774 -4.358 -3.415 1.00 0.00 H new ATOM 0 HE2 PHE A 99 4.580 -1.078 -3.256 1.00 0.00 H new ATOM 0 HZ PHE A 99 3.662 -3.188 -2.313 1.00 0.00 H new ATOM 558 N LEU A 100 0.536 -2.582 -9.706 1.00 0.00 N ATOM 559 CA LEU A 100 -0.437 -2.616 -10.807 1.00 0.00 C ATOM 560 C LEU A 100 -1.822 -2.082 -10.408 1.00 0.00 C ATOM 561 O LEU A 100 -2.517 -2.672 -9.574 1.00 0.00 O ATOM 562 CB LEU A 100 -0.575 -4.064 -11.274 1.00 0.00 C ATOM 563 CG LEU A 100 -0.895 -4.108 -12.766 1.00 0.00 C ATOM 564 CD1 LEU A 100 0.406 -3.855 -13.533 1.00 0.00 C ATOM 565 CD2 LEU A 100 -1.421 -5.489 -13.156 1.00 0.00 C ATOM 0 H LEU A 100 0.723 -3.504 -9.312 1.00 0.00 H new ATOM 0 HA LEU A 100 -0.066 -1.966 -11.599 1.00 0.00 H new ATOM 0 HB2 LEU A 100 0.349 -4.607 -11.077 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -1.364 -4.562 -10.710 1.00 0.00 H new ATOM 0 HG LEU A 100 -1.651 -3.358 -13.000 1.00 0.00 H new ATOM 0 HD11 LEU A 100 0.208 -3.881 -14.604 1.00 0.00 H new ATOM 0 HD12 LEU A 100 0.804 -2.878 -13.261 1.00 0.00 H new ATOM 0 HD13 LEU A 100 1.133 -4.626 -13.280 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -1.645 -5.505 -14.223 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -0.666 -6.242 -12.932 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -2.328 -5.706 -12.592 1.00 0.00 H new ATOM 566 N GLU A 101 -2.183 -0.969 -11.042 1.00 0.00 N ATOM 567 CA GLU A 101 -3.517 -0.358 -10.927 1.00 0.00 C ATOM 568 C GLU A 101 -4.641 -1.237 -11.477 1.00 0.00 C ATOM 569 O GLU A 101 -4.850 -1.392 -12.681 1.00 0.00 O ATOM 570 CB GLU A 101 -3.565 1.020 -11.586 1.00 0.00 C ATOM 571 CG GLU A 101 -2.964 2.059 -10.645 1.00 0.00 C ATOM 572 CD GLU A 101 -2.979 3.457 -11.257 1.00 0.00 C ATOM 573 OE1 GLU A 101 -2.116 3.699 -12.130 1.00 0.00 O ATOM 574 OE2 GLU A 101 -3.814 4.271 -10.794 1.00 0.00 O ATOM 0 H GLU A 101 -1.554 -0.455 -11.659 1.00 0.00 H new ATOM 0 HA GLU A 101 -3.689 -0.249 -9.856 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -3.014 1.004 -12.526 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -4.595 1.284 -11.825 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -3.522 2.067 -9.709 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -1.939 1.780 -10.403 1.00 0.00 H new ATOM 575 N ARG A 102 -5.274 -1.853 -10.499 1.00 0.00 N ATOM 576 CA ARG A 102 -6.401 -2.788 -10.677 1.00 0.00 C ATOM 577 C ARG A 102 -7.795 -2.151 -10.549 1.00 0.00 C ATOM 578 O ARG A 102 -8.793 -2.820 -10.805 1.00 0.00 O ATOM 579 CB ARG A 102 -6.207 -3.805 -9.565 1.00 0.00 C ATOM 580 CG ARG A 102 -5.113 -4.847 -9.804 1.00 0.00 C ATOM 581 CD ARG A 102 -5.305 -5.701 -11.070 1.00 0.00 C ATOM 582 NE ARG A 102 -6.515 -6.544 -11.042 1.00 0.00 N ATOM 583 CZ ARG A 102 -6.538 -7.849 -10.736 1.00 0.00 C ATOM 584 NH1 ARG A 102 -5.441 -8.582 -10.717 1.00 0.00 N ATOM 585 NH2 ARG A 102 -7.673 -8.533 -10.778 1.00 0.00 N ATOM 0 H ARG A 102 -5.020 -1.722 -9.520 1.00 0.00 H new ATOM 0 HA ARG A 102 -6.385 -3.197 -11.687 1.00 0.00 H new ATOM 0 HB2 ARG A 102 -5.978 -3.270 -8.644 1.00 0.00 H new ATOM 0 HB3 ARG A 102 -7.151 -4.326 -9.405 1.00 0.00 H new ATOM 0 HG2 ARG A 102 -4.152 -4.337 -9.868 1.00 0.00 H new ATOM 0 HG3 ARG A 102 -5.065 -5.509 -8.939 1.00 0.00 H new ATOM 0 HD2 ARG A 102 -5.352 -5.043 -11.937 1.00 0.00 H new ATOM 0 HD3 ARG A 102 -4.432 -6.340 -11.202 1.00 0.00 H new ATOM 0 HE ARG A 102 -7.403 -6.099 -11.273 1.00 0.00 H new ATOM 0 HH11 ARG A 102 -4.540 -8.158 -10.939 1.00 0.00 H new ATOM 0 HH12 ARG A 102 -5.494 -9.573 -10.480 1.00 0.00 H new ATOM 0 HH21 ARG A 102 -8.540 -8.067 -11.045 1.00 0.00 H new ATOM 0 HH22 ARG A 102 -7.679 -9.526 -10.543 1.00 0.00 H new ATOM 586 N LEU A 103 -7.797 -0.963 -9.932 1.00 0.00 N ATOM 587 CA LEU A 103 -8.947 -0.057 -9.683 1.00 0.00 C ATOM 588 C LEU A 103 -10.355 -0.676 -9.705 1.00 0.00 C ATOM 589 O LEU A 103 -10.897 -1.043 -10.745 1.00 0.00 O ATOM 590 CB LEU A 103 -8.842 1.126 -10.660 1.00 0.00 C ATOM 591 CG LEU A 103 -9.912 2.208 -10.537 1.00 0.00 C ATOM 592 CD1 LEU A 103 -9.907 2.903 -9.175 1.00 0.00 C ATOM 593 CD2 LEU A 103 -9.773 3.236 -11.670 1.00 0.00 C ATOM 0 H LEU A 103 -6.931 -0.571 -9.561 1.00 0.00 H new ATOM 0 HA LEU A 103 -8.854 0.253 -8.642 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -7.867 1.594 -10.526 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -8.870 0.733 -11.676 1.00 0.00 H new ATOM 0 HG LEU A 103 -10.875 1.705 -10.625 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -10.690 3.661 -9.150 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -10.089 2.168 -8.391 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -8.939 3.376 -9.011 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -10.544 3.999 -11.565 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -8.790 3.704 -11.618 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -9.886 2.735 -12.632 1.00 0.00 H new ATOM 594 N GLU A 104 -11.056 -0.305 -8.643 1.00 0.00 N ATOM 595 CA GLU A 104 -12.457 -0.693 -8.353 1.00 0.00 C ATOM 596 C GLU A 104 -13.507 0.237 -8.982 1.00 0.00 C ATOM 597 O GLU A 104 -14.674 0.260 -8.581 1.00 0.00 O ATOM 598 CB GLU A 104 -12.638 -0.696 -6.838 1.00 0.00 C ATOM 599 CG GLU A 104 -11.965 -1.903 -6.169 1.00 0.00 C ATOM 600 CD GLU A 104 -12.859 -3.155 -6.147 1.00 0.00 C ATOM 601 OE1 GLU A 104 -13.462 -3.498 -7.196 1.00 0.00 O ATOM 602 OE2 GLU A 104 -12.923 -3.761 -5.057 1.00 0.00 O ATOM 0 H GLU A 104 -10.662 0.299 -7.922 1.00 0.00 H new ATOM 0 HA GLU A 104 -12.620 -1.676 -8.794 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -12.223 0.223 -6.424 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -13.702 -0.700 -6.602 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -11.039 -2.134 -6.696 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -11.693 -1.640 -5.147 1.00 0.00 H new ATOM 603 N GLU A 105 -13.100 0.915 -10.063 1.00 0.00 N ATOM 604 CA GLU A 105 -13.808 2.024 -10.738 1.00 0.00 C ATOM 605 C GLU A 105 -14.085 3.270 -9.890 1.00 0.00 C ATOM 606 O GLU A 105 -13.569 4.344 -10.183 1.00 0.00 O ATOM 607 CB GLU A 105 -15.095 1.540 -11.440 1.00 0.00 C ATOM 608 CG GLU A 105 -14.859 0.759 -12.734 1.00 0.00 C ATOM 609 CD GLU A 105 -14.203 -0.619 -12.533 1.00 0.00 C ATOM 610 OE1 GLU A 105 -14.893 -1.512 -11.997 1.00 0.00 O ATOM 611 OE2 GLU A 105 -13.017 -0.733 -12.915 1.00 0.00 O ATOM 0 H GLU A 105 -12.216 0.695 -10.521 1.00 0.00 H new ATOM 0 HA GLU A 105 -13.088 2.360 -11.484 1.00 0.00 H new ATOM 0 HB2 GLU A 105 -15.656 0.911 -10.749 1.00 0.00 H new ATOM 0 HB3 GLU A 105 -15.720 2.405 -11.662 1.00 0.00 H new ATOM 0 HG2 GLU A 105 -15.814 0.623 -13.241 1.00 0.00 H new ATOM 0 HG3 GLU A 105 -14.229 1.355 -13.394 1.00 0.00 H new ATOM 612 N ASN A 106 -14.701 3.026 -8.745 1.00 0.00 N ATOM 613 CA ASN A 106 -15.156 3.978 -7.717 1.00 0.00 C ATOM 614 C ASN A 106 -14.059 4.639 -6.856 1.00 0.00 C ATOM 615 O ASN A 106 -14.124 4.688 -5.625 1.00 0.00 O ATOM 616 CB ASN A 106 -16.117 3.160 -6.861 1.00 0.00 C ATOM 617 CG ASN A 106 -17.469 2.973 -7.559 1.00 0.00 C ATOM 618 OD1 ASN A 106 -18.050 3.866 -8.151 1.00 0.00 O ATOM 619 ND2 ASN A 106 -17.978 1.760 -7.526 1.00 0.00 N ATOM 0 H ASN A 106 -14.921 2.067 -8.476 1.00 0.00 H new ATOM 0 HA ASN A 106 -15.604 4.846 -8.202 1.00 0.00 H new ATOM 0 HB2 ASN A 106 -15.678 2.185 -6.649 1.00 0.00 H new ATOM 0 HB3 ASN A 106 -16.266 3.658 -5.903 1.00 0.00 H new ATOM 0 HD21 ASN A 106 -18.861 1.565 -7.997 1.00 0.00 H new ATOM 0 HD22 ASN A 106 -17.489 1.015 -7.030 1.00 0.00 H new ATOM 620 N HIS A 107 -13.026 5.101 -7.551 1.00 0.00 N ATOM 621 CA HIS A 107 -11.831 5.820 -7.051 1.00 0.00 C ATOM 622 C HIS A 107 -10.831 4.912 -6.314 1.00 0.00 C ATOM 623 O HIS A 107 -9.620 5.085 -6.437 1.00 0.00 O ATOM 624 CB HIS A 107 -12.195 7.026 -6.162 1.00 0.00 C ATOM 625 CG HIS A 107 -13.270 7.928 -6.789 1.00 0.00 C ATOM 626 ND1 HIS A 107 -14.586 7.786 -6.630 1.00 0.00 N ATOM 627 CD2 HIS A 107 -13.078 8.898 -7.669 1.00 0.00 C ATOM 628 CE1 HIS A 107 -15.203 8.659 -7.404 1.00 0.00 C ATOM 629 NE2 HIS A 107 -14.272 9.354 -8.049 1.00 0.00 N ATOM 0 H HIS A 107 -12.987 4.979 -8.563 1.00 0.00 H new ATOM 0 HA HIS A 107 -11.339 6.188 -7.951 1.00 0.00 H new ATOM 0 HB2 HIS A 107 -12.549 6.665 -5.196 1.00 0.00 H new ATOM 0 HB3 HIS A 107 -11.298 7.616 -5.973 1.00 0.00 H new ATOM 0 HD2 HIS A 107 -12.121 9.257 -8.018 1.00 0.00 H new ATOM 0 HE1 HIS A 107 -16.272 8.786 -7.496 1.00 0.00 H new ATOM 0 HE2 HIS A 107 -14.441 10.105 -8.718 1.00 0.00 H new ATOM 630 N TYR A 108 -11.361 3.907 -5.613 1.00 0.00 N ATOM 631 CA TYR A 108 -10.598 2.900 -4.856 1.00 0.00 C ATOM 632 C TYR A 108 -9.635 2.088 -5.725 1.00 0.00 C ATOM 633 O TYR A 108 -10.038 1.242 -6.525 1.00 0.00 O ATOM 634 CB TYR A 108 -11.537 1.896 -4.182 1.00 0.00 C ATOM 635 CG TYR A 108 -12.587 2.517 -3.267 1.00 0.00 C ATOM 636 CD1 TYR A 108 -12.208 3.160 -2.067 1.00 0.00 C ATOM 637 CD2 TYR A 108 -13.929 2.264 -3.597 1.00 0.00 C ATOM 638 CE1 TYR A 108 -13.211 3.546 -1.159 1.00 0.00 C ATOM 639 CE2 TYR A 108 -14.932 2.650 -2.690 1.00 0.00 C ATOM 640 CZ TYR A 108 -14.560 3.264 -1.479 1.00 0.00 C ATOM 641 OH TYR A 108 -15.477 3.206 -0.473 1.00 0.00 O ATOM 0 H TYR A 108 -12.369 3.763 -5.552 1.00 0.00 H new ATOM 0 HA TYR A 108 -10.026 3.472 -4.125 1.00 0.00 H new ATOM 0 HB2 TYR A 108 -12.045 1.319 -4.955 1.00 0.00 H new ATOM 0 HB3 TYR A 108 -10.939 1.194 -3.601 1.00 0.00 H new ATOM 0 HD1 TYR A 108 -11.167 3.352 -1.851 1.00 0.00 H new ATOM 0 HD2 TYR A 108 -14.185 1.782 -4.529 1.00 0.00 H new ATOM 0 HE1 TYR A 108 -12.956 4.047 -0.237 1.00 0.00 H new ATOM 0 HE2 TYR A 108 -15.973 2.478 -2.919 1.00 0.00 H new ATOM 0 HH TYR A 108 -16.360 3.004 -0.847 1.00 0.00 H new ATOM 642 N ASN A 109 -8.361 2.293 -5.444 1.00 0.00 N ATOM 643 CA ASN A 109 -7.297 1.649 -6.228 1.00 0.00 C ATOM 644 C ASN A 109 -6.685 0.451 -5.499 1.00 0.00 C ATOM 645 O ASN A 109 -6.333 0.501 -4.327 1.00 0.00 O ATOM 646 CB ASN A 109 -6.228 2.676 -6.543 1.00 0.00 C ATOM 647 CG ASN A 109 -5.927 2.771 -8.044 1.00 0.00 C ATOM 648 OD1 ASN A 109 -5.957 1.807 -8.801 1.00 0.00 O ATOM 649 ND2 ASN A 109 -5.623 3.973 -8.484 1.00 0.00 N ATOM 0 H ASN A 109 -8.029 2.893 -4.688 1.00 0.00 H new ATOM 0 HA ASN A 109 -7.736 1.267 -7.150 1.00 0.00 H new ATOM 0 HB2 ASN A 109 -6.548 3.652 -6.178 1.00 0.00 H new ATOM 0 HB3 ASN A 109 -5.314 2.419 -6.008 1.00 0.00 H new ATOM 0 HD21 ASN A 109 -5.407 4.115 -9.471 1.00 0.00 H new ATOM 0 HD22 ASN A 109 -5.603 4.763 -7.838 1.00 0.00 H new ATOM 650 N THR A 110 -6.821 -0.670 -6.189 1.00 0.00 N ATOM 651 CA THR A 110 -6.201 -1.955 -5.836 1.00 0.00 C ATOM 652 C THR A 110 -4.878 -2.085 -6.597 1.00 0.00 C ATOM 653 O THR A 110 -4.727 -1.570 -7.714 1.00 0.00 O ATOM 654 CB THR A 110 -7.219 -3.060 -6.167 1.00 0.00 C ATOM 655 OG1 THR A 110 -7.915 -2.721 -7.366 1.00 0.00 O ATOM 656 CG2 THR A 110 -8.199 -3.253 -5.021 1.00 0.00 C ATOM 0 H THR A 110 -7.382 -0.721 -7.039 1.00 0.00 H new ATOM 0 HA THR A 110 -5.956 -2.034 -4.777 1.00 0.00 H new ATOM 0 HB THR A 110 -6.686 -3.999 -6.313 1.00 0.00 H new ATOM 0 HG1 THR A 110 -8.563 -3.425 -7.578 1.00 0.00 H new ATOM 0 HG21 THR A 110 -8.909 -4.039 -5.278 1.00 0.00 H new ATOM 0 HG22 THR A 110 -7.654 -3.536 -4.120 1.00 0.00 H new ATOM 0 HG23 THR A 110 -8.737 -2.322 -4.842 1.00 0.00 H new ATOM 657 N TYR A 111 -3.917 -2.745 -5.960 1.00 0.00 N ATOM 658 CA TYR A 111 -2.488 -2.648 -6.339 1.00 0.00 C ATOM 659 C TYR A 111 -1.684 -3.952 -6.209 1.00 0.00 C ATOM 660 O TYR A 111 -1.137 -4.237 -5.131 1.00 0.00 O ATOM 661 CB TYR A 111 -1.844 -1.566 -5.461 1.00 0.00 C ATOM 662 CG TYR A 111 -2.313 -0.140 -5.768 1.00 0.00 C ATOM 663 CD1 TYR A 111 -2.168 0.353 -7.086 1.00 0.00 C ATOM 664 CD2 TYR A 111 -2.674 0.697 -4.694 1.00 0.00 C ATOM 665 CE1 TYR A 111 -2.394 1.723 -7.328 1.00 0.00 C ATOM 666 CE2 TYR A 111 -2.901 2.057 -4.935 1.00 0.00 C ATOM 667 CZ TYR A 111 -2.765 2.550 -6.257 1.00 0.00 C ATOM 668 OH TYR A 111 -3.081 3.858 -6.480 1.00 0.00 O ATOM 0 H TYR A 111 -4.092 -3.363 -5.168 1.00 0.00 H new ATOM 0 HA TYR A 111 -2.462 -2.405 -7.401 1.00 0.00 H new ATOM 0 HB2 TYR A 111 -2.058 -1.789 -4.416 1.00 0.00 H new ATOM 0 HB3 TYR A 111 -0.762 -1.614 -5.582 1.00 0.00 H new ATOM 0 HD1 TYR A 111 -1.889 -0.309 -7.893 1.00 0.00 H new ATOM 0 HD2 TYR A 111 -2.774 0.294 -3.697 1.00 0.00 H new ATOM 0 HE1 TYR A 111 -2.283 2.130 -8.322 1.00 0.00 H new ATOM 0 HE2 TYR A 111 -3.175 2.720 -4.127 1.00 0.00 H new ATOM 0 HH TYR A 111 -3.232 3.999 -7.438 1.00 0.00 H new ATOM 669 N ILE A 112 -1.540 -4.692 -7.307 1.00 0.00 N ATOM 670 CA ILE A 112 -0.672 -5.901 -7.323 1.00 0.00 C ATOM 671 C ILE A 112 0.807 -5.457 -7.282 1.00 0.00 C ATOM 672 O ILE A 112 1.275 -4.783 -8.188 1.00 0.00 O ATOM 673 CB ILE A 112 -0.809 -6.809 -8.569 1.00 0.00 C ATOM 674 CG1 ILE A 112 -2.243 -7.196 -8.906 1.00 0.00 C ATOM 675 CG2 ILE A 112 0.107 -8.048 -8.526 1.00 0.00 C ATOM 676 CD1 ILE A 112 -2.899 -8.290 -8.044 1.00 0.00 C ATOM 0 H ILE A 112 -2.001 -4.491 -8.195 1.00 0.00 H new ATOM 0 HA ILE A 112 -0.994 -6.480 -6.457 1.00 0.00 H new ATOM 0 HB ILE A 112 -0.463 -6.178 -9.388 1.00 0.00 H new ATOM 0 HG12 ILE A 112 -2.859 -6.299 -8.840 1.00 0.00 H new ATOM 0 HG13 ILE A 112 -2.269 -7.524 -9.945 1.00 0.00 H new ATOM 0 HG21 ILE A 112 -0.040 -8.640 -9.429 1.00 0.00 H new ATOM 0 HG22 ILE A 112 1.148 -7.729 -8.466 1.00 0.00 H new ATOM 0 HG23 ILE A 112 -0.138 -8.652 -7.652 1.00 0.00 H new ATOM 0 HD11 ILE A 112 -3.917 -8.466 -8.392 1.00 0.00 H new ATOM 0 HD12 ILE A 112 -2.323 -9.212 -8.126 1.00 0.00 H new ATOM 0 HD13 ILE A 112 -2.922 -7.968 -7.003 1.00 0.00 H new ATOM 677 N SER A 113 1.530 -6.110 -6.381 1.00 0.00 N ATOM 678 CA SER A 113 3.007 -6.061 -6.376 1.00 0.00 C ATOM 679 C SER A 113 3.541 -6.907 -7.534 1.00 0.00 C ATOM 680 O SER A 113 3.259 -8.107 -7.628 1.00 0.00 O ATOM 681 CB SER A 113 3.620 -6.514 -5.038 1.00 0.00 C ATOM 682 OG SER A 113 3.223 -7.834 -4.673 1.00 0.00 O ATOM 0 H SER A 113 1.128 -6.683 -5.639 1.00 0.00 H new ATOM 0 HA SER A 113 3.305 -5.021 -6.505 1.00 0.00 H new ATOM 0 HB2 SER A 113 4.707 -6.471 -5.107 1.00 0.00 H new ATOM 0 HB3 SER A 113 3.323 -5.819 -4.253 1.00 0.00 H new ATOM 0 HG SER A 113 2.252 -7.860 -4.545 1.00 0.00 H new ATOM 683 N LYS A 114 4.099 -6.205 -8.512 1.00 0.00 N ATOM 684 CA LYS A 114 4.716 -6.800 -9.724 1.00 0.00 C ATOM 685 C LYS A 114 5.577 -8.041 -9.473 1.00 0.00 C ATOM 686 O LYS A 114 5.585 -8.961 -10.282 1.00 0.00 O ATOM 687 CB LYS A 114 5.564 -5.751 -10.434 1.00 0.00 C ATOM 688 CG LYS A 114 4.777 -5.058 -11.547 1.00 0.00 C ATOM 689 CD LYS A 114 4.556 -6.023 -12.716 1.00 0.00 C ATOM 690 CE LYS A 114 3.697 -5.350 -13.772 1.00 0.00 C ATOM 691 NZ LYS A 114 3.573 -6.213 -14.950 1.00 0.00 N ATOM 0 H LYS A 114 4.144 -5.186 -8.499 1.00 0.00 H new ATOM 0 HA LYS A 114 3.878 -7.132 -10.337 1.00 0.00 H new ATOM 0 HB2 LYS A 114 5.907 -5.009 -9.713 1.00 0.00 H new ATOM 0 HB3 LYS A 114 6.453 -6.222 -10.854 1.00 0.00 H new ATOM 0 HG2 LYS A 114 3.817 -4.713 -11.163 1.00 0.00 H new ATOM 0 HG3 LYS A 114 5.318 -4.176 -11.891 1.00 0.00 H new ATOM 0 HD2 LYS A 114 5.514 -6.317 -13.145 1.00 0.00 H new ATOM 0 HD3 LYS A 114 4.071 -6.933 -12.363 1.00 0.00 H new ATOM 0 HE2 LYS A 114 2.709 -5.135 -13.364 1.00 0.00 H new ATOM 0 HE3 LYS A 114 4.139 -4.395 -14.057 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 2.983 -5.742 -15.665 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 4.517 -6.397 -15.346 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 3.131 -7.114 -14.676 1.00 0.00 H new ATOM 692 N LYS A 115 6.297 -8.025 -8.356 1.00 0.00 N ATOM 693 CA LYS A 115 7.024 -9.232 -7.916 1.00 0.00 C ATOM 694 C LYS A 115 6.052 -10.390 -7.630 1.00 0.00 C ATOM 695 O LYS A 115 6.072 -11.413 -8.312 1.00 0.00 O ATOM 696 CB LYS A 115 7.903 -8.960 -6.685 1.00 0.00 C ATOM 697 CG LYS A 115 8.682 -10.256 -6.456 1.00 0.00 C ATOM 698 CD LYS A 115 8.914 -10.620 -5.007 1.00 0.00 C ATOM 699 CE LYS A 115 9.057 -12.135 -4.933 1.00 0.00 C ATOM 700 NZ LYS A 115 10.287 -12.594 -5.603 1.00 0.00 N ATOM 0 H LYS A 115 6.398 -7.215 -7.745 1.00 0.00 H new ATOM 0 HA LYS A 115 7.682 -9.520 -8.736 1.00 0.00 H new ATOM 0 HB2 LYS A 115 8.577 -8.121 -6.859 1.00 0.00 H new ATOM 0 HB3 LYS A 115 7.296 -8.706 -5.816 1.00 0.00 H new ATOM 0 HG2 LYS A 115 8.146 -11.073 -6.938 1.00 0.00 H new ATOM 0 HG3 LYS A 115 9.649 -10.173 -6.952 1.00 0.00 H new ATOM 0 HD2 LYS A 115 9.811 -10.131 -4.628 1.00 0.00 H new ATOM 0 HD3 LYS A 115 8.082 -10.283 -4.389 1.00 0.00 H new ATOM 0 HE2 LYS A 115 9.070 -12.450 -3.890 1.00 0.00 H new ATOM 0 HE3 LYS A 115 8.191 -12.607 -5.397 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 10.407 -13.615 -5.448 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 10.218 -12.405 -6.623 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 11.106 -12.086 -5.212 1.00 0.00 H new ATOM 701 N HIS A 116 5.146 -10.150 -6.684 1.00 0.00 N ATOM 702 CA HIS A 116 4.193 -11.168 -6.238 1.00 0.00 C ATOM 703 C HIS A 116 2.960 -11.238 -7.147 1.00 0.00 C ATOM 704 O HIS A 116 1.883 -11.643 -6.725 1.00 0.00 O ATOM 705 CB HIS A 116 3.816 -10.868 -4.792 1.00 0.00 C ATOM 706 CG HIS A 116 5.035 -10.697 -3.889 1.00 0.00 C ATOM 707 ND1 HIS A 116 5.459 -9.524 -3.424 1.00 0.00 N ATOM 708 CD2 HIS A 116 5.794 -11.650 -3.373 1.00 0.00 C ATOM 709 CE1 HIS A 116 6.463 -9.762 -2.602 1.00 0.00 C ATOM 710 NE2 HIS A 116 6.664 -11.073 -2.556 1.00 0.00 N ATOM 0 H HIS A 116 5.051 -9.253 -6.208 1.00 0.00 H new ATOM 0 HA HIS A 116 4.658 -12.152 -6.298 1.00 0.00 H new ATOM 0 HB2 HIS A 116 3.214 -9.960 -4.759 1.00 0.00 H new ATOM 0 HB3 HIS A 116 3.195 -11.677 -4.407 1.00 0.00 H new ATOM 0 HD1 HIS A 116 5.077 -8.608 -3.660 1.00 0.00 H new ATOM 0 HD2 HIS A 116 5.718 -12.707 -3.580 1.00 0.00 H new ATOM 0 HE1 HIS A 116 7.026 -9.017 -2.059 1.00 0.00 H new ATOM 711 N ALA A 117 3.200 -11.013 -8.436 1.00 0.00 N ATOM 712 CA ALA A 117 2.253 -11.320 -9.529 1.00 0.00 C ATOM 713 C ALA A 117 1.939 -12.830 -9.495 1.00 0.00 C ATOM 714 O ALA A 117 0.765 -13.191 -9.422 1.00 0.00 O ATOM 715 CB ALA A 117 2.870 -10.928 -10.868 1.00 0.00 C ATOM 0 H ALA A 117 4.074 -10.604 -8.767 1.00 0.00 H new ATOM 0 HA ALA A 117 1.329 -10.756 -9.401 1.00 0.00 H new ATOM 0 HB1 ALA A 117 2.170 -11.155 -11.672 1.00 0.00 H new ATOM 0 HB2 ALA A 117 3.089 -9.860 -10.869 1.00 0.00 H new ATOM 0 HB3 ALA A 117 3.793 -11.488 -11.021 1.00 0.00 H new ATOM 716 N GLU A 118 2.964 -13.626 -9.147 1.00 0.00 N ATOM 717 CA GLU A 118 2.795 -15.081 -9.016 1.00 0.00 C ATOM 718 C GLU A 118 2.017 -15.566 -7.766 1.00 0.00 C ATOM 719 O GLU A 118 1.785 -16.762 -7.592 1.00 0.00 O ATOM 720 CB GLU A 118 4.142 -15.798 -9.192 1.00 0.00 C ATOM 721 CG GLU A 118 5.178 -15.361 -8.159 1.00 0.00 C ATOM 722 CD GLU A 118 6.593 -15.765 -8.536 1.00 0.00 C ATOM 723 OE1 GLU A 118 7.148 -15.066 -9.414 1.00 0.00 O ATOM 724 OE2 GLU A 118 7.115 -16.722 -7.920 1.00 0.00 O ATOM 0 H GLU A 118 3.908 -13.290 -8.954 1.00 0.00 H new ATOM 0 HA GLU A 118 2.131 -15.365 -9.833 1.00 0.00 H new ATOM 0 HB2 GLU A 118 3.989 -16.875 -9.115 1.00 0.00 H new ATOM 0 HB3 GLU A 118 4.526 -15.601 -10.193 1.00 0.00 H new ATOM 0 HG2 GLU A 118 5.133 -14.278 -8.042 1.00 0.00 H new ATOM 0 HG3 GLU A 118 4.926 -15.797 -7.192 1.00 0.00 H new ATOM 725 N LYS A 119 1.689 -14.615 -6.888 1.00 0.00 N ATOM 726 CA LYS A 119 0.842 -14.837 -5.699 1.00 0.00 C ATOM 727 C LYS A 119 -0.404 -13.926 -5.641 1.00 0.00 C ATOM 728 O LYS A 119 -1.287 -14.179 -4.820 1.00 0.00 O ATOM 729 CB LYS A 119 1.727 -14.646 -4.467 1.00 0.00 C ATOM 730 CG LYS A 119 2.500 -15.927 -4.175 1.00 0.00 C ATOM 731 CD LYS A 119 3.878 -15.619 -3.590 1.00 0.00 C ATOM 732 CE LYS A 119 4.809 -15.055 -4.665 1.00 0.00 C ATOM 733 NZ LYS A 119 6.141 -14.814 -4.083 1.00 0.00 N ATOM 0 H LYS A 119 2.007 -13.650 -6.979 1.00 0.00 H new ATOM 0 HA LYS A 119 0.438 -15.848 -5.744 1.00 0.00 H new ATOM 0 HB2 LYS A 119 2.422 -13.822 -4.632 1.00 0.00 H new ATOM 0 HB3 LYS A 119 1.114 -14.378 -3.607 1.00 0.00 H new ATOM 0 HG2 LYS A 119 1.935 -16.545 -3.477 1.00 0.00 H new ATOM 0 HG3 LYS A 119 2.612 -16.504 -5.093 1.00 0.00 H new ATOM 0 HD2 LYS A 119 3.780 -14.903 -2.774 1.00 0.00 H new ATOM 0 HD3 LYS A 119 4.310 -16.526 -3.167 1.00 0.00 H new ATOM 0 HE2 LYS A 119 4.885 -15.754 -5.498 1.00 0.00 H new ATOM 0 HE3 LYS A 119 4.401 -14.126 -5.064 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 6.610 -14.041 -4.597 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 6.040 -14.552 -3.082 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 6.714 -15.678 -4.159 1.00 0.00 H new ATOM 734 N ASN A 120 -0.525 -13.026 -6.616 1.00 0.00 N ATOM 735 CA ASN A 120 -1.550 -11.953 -6.727 1.00 0.00 C ATOM 736 C ASN A 120 -1.611 -10.992 -5.524 1.00 0.00 C ATOM 737 O ASN A 120 -2.615 -10.321 -5.304 1.00 0.00 O ATOM 738 CB ASN A 120 -2.935 -12.579 -6.960 1.00 0.00 C ATOM 739 CG ASN A 120 -2.983 -13.492 -8.185 1.00 0.00 C ATOM 740 OD1 ASN A 120 -3.173 -13.080 -9.320 1.00 0.00 O ATOM 741 ND2 ASN A 120 -2.813 -14.778 -7.957 1.00 0.00 N ATOM 0 H ASN A 120 0.122 -13.014 -7.404 1.00 0.00 H new ATOM 0 HA ASN A 120 -1.246 -11.343 -7.578 1.00 0.00 H new ATOM 0 HB2 ASN A 120 -3.222 -13.150 -6.077 1.00 0.00 H new ATOM 0 HB3 ASN A 120 -3.671 -11.784 -7.078 1.00 0.00 H new ATOM 0 HD21 ASN A 120 -2.839 -15.441 -8.732 1.00 0.00 H new ATOM 0 HD22 ASN A 120 -2.655 -15.111 -7.006 1.00 0.00 H new ATOM 742 N TRP A 121 -0.473 -10.770 -4.865 1.00 0.00 N ATOM 743 CA TRP A 121 -0.451 -9.955 -3.641 1.00 0.00 C ATOM 744 C TRP A 121 -0.568 -8.454 -3.890 1.00 0.00 C ATOM 745 O TRP A 121 0.320 -7.812 -4.471 1.00 0.00 O ATOM 746 CB TRP A 121 0.758 -10.216 -2.741 1.00 0.00 C ATOM 747 CG TRP A 121 0.868 -11.636 -2.193 1.00 0.00 C ATOM 748 CD1 TRP A 121 -0.100 -12.548 -2.143 1.00 0.00 C ATOM 749 CD2 TRP A 121 1.975 -12.166 -1.546 1.00 0.00 C ATOM 750 NE1 TRP A 121 0.356 -13.652 -1.543 1.00 0.00 N ATOM 751 CE2 TRP A 121 1.596 -13.454 -1.121 1.00 0.00 C ATOM 752 CE3 TRP A 121 3.224 -11.633 -1.201 1.00 0.00 C ATOM 753 CZ2 TRP A 121 2.456 -14.225 -0.310 1.00 0.00 C ATOM 754 CZ3 TRP A 121 4.104 -12.418 -0.434 1.00 0.00 C ATOM 755 CH2 TRP A 121 3.718 -13.693 0.031 1.00 0.00 C ATOM 0 H TRP A 121 0.436 -11.135 -5.150 1.00 0.00 H new ATOM 0 HA TRP A 121 -1.348 -10.287 -3.118 1.00 0.00 H new ATOM 0 HB2 TRP A 121 1.664 -9.990 -3.303 1.00 0.00 H new ATOM 0 HB3 TRP A 121 0.722 -9.522 -1.901 1.00 0.00 H new ATOM 0 HD1 TRP A 121 -1.100 -12.416 -2.528 1.00 0.00 H new ATOM 0 HE1 TRP A 121 -0.172 -14.517 -1.427 1.00 0.00 H new ATOM 0 HE3 TRP A 121 3.505 -10.640 -1.518 1.00 0.00 H new ATOM 0 HZ2 TRP A 121 2.155 -15.201 0.042 1.00 0.00 H new ATOM 0 HZ3 TRP A 121 5.088 -12.040 -0.198 1.00 0.00 H new ATOM 0 HH2 TRP A 121 4.392 -14.265 0.651 1.00 0.00 H new ATOM 756 N PHE A 122 -1.678 -7.935 -3.370 1.00 0.00 N ATOM 757 CA PHE A 122 -1.993 -6.499 -3.350 1.00 0.00 C ATOM 758 C PHE A 122 -1.655 -5.902 -1.975 1.00 0.00 C ATOM 759 O PHE A 122 -1.767 -6.588 -0.955 1.00 0.00 O ATOM 760 CB PHE A 122 -3.489 -6.268 -3.538 1.00 0.00 C ATOM 761 CG PHE A 122 -4.151 -6.851 -4.789 1.00 0.00 C ATOM 762 CD1 PHE A 122 -4.574 -8.194 -4.790 1.00 0.00 C ATOM 763 CD2 PHE A 122 -4.671 -5.947 -5.743 1.00 0.00 C ATOM 764 CE1 PHE A 122 -5.521 -8.652 -5.734 1.00 0.00 C ATOM 765 CE2 PHE A 122 -5.634 -6.383 -6.674 1.00 0.00 C ATOM 766 CZ PHE A 122 -6.048 -7.736 -6.670 1.00 0.00 C ATOM 0 H PHE A 122 -2.403 -8.510 -2.940 1.00 0.00 H new ATOM 0 HA PHE A 122 -1.415 -6.037 -4.151 1.00 0.00 H new ATOM 0 HB2 PHE A 122 -4.003 -6.675 -2.667 1.00 0.00 H new ATOM 0 HB3 PHE A 122 -3.664 -5.192 -3.537 1.00 0.00 H new ATOM 0 HD1 PHE A 122 -4.170 -8.882 -4.062 1.00 0.00 H new ATOM 0 HD2 PHE A 122 -4.330 -4.922 -5.758 1.00 0.00 H new ATOM 0 HE1 PHE A 122 -5.836 -9.685 -5.739 1.00 0.00 H new ATOM 0 HE2 PHE A 122 -6.054 -5.689 -7.387 1.00 0.00 H new ATOM 0 HZ PHE A 122 -6.777 -8.072 -7.393 1.00 0.00 H new ATOM 767 N VAL A 123 -1.273 -4.615 -1.965 1.00 0.00 N ATOM 768 CA VAL A 123 -1.234 -3.859 -0.693 1.00 0.00 C ATOM 769 C VAL A 123 -2.635 -3.782 -0.075 1.00 0.00 C ATOM 770 O VAL A 123 -3.607 -3.610 -0.809 1.00 0.00 O ATOM 771 CB VAL A 123 -0.661 -2.431 -0.741 1.00 0.00 C ATOM 772 CG1 VAL A 123 0.855 -2.413 -0.848 1.00 0.00 C ATOM 773 CG2 VAL A 123 -1.246 -1.530 -1.814 1.00 0.00 C ATOM 0 H VAL A 123 -0.994 -4.086 -2.791 1.00 0.00 H new ATOM 0 HA VAL A 123 -0.532 -4.436 -0.091 1.00 0.00 H new ATOM 0 HB VAL A 123 -0.970 -2.016 0.219 1.00 0.00 H new ATOM 0 HG11 VAL A 123 1.205 -1.381 -0.878 1.00 0.00 H new ATOM 0 HG12 VAL A 123 1.287 -2.918 0.016 1.00 0.00 H new ATOM 0 HG13 VAL A 123 1.162 -2.927 -1.759 1.00 0.00 H new ATOM 0 HG21 VAL A 123 -0.775 -0.549 -1.762 1.00 0.00 H new ATOM 0 HG22 VAL A 123 -1.064 -1.968 -2.796 1.00 0.00 H new ATOM 0 HG23 VAL A 123 -2.319 -1.426 -1.656 1.00 0.00 H new ATOM 774 N GLY A 124 -2.672 -3.680 1.241 1.00 0.00 N ATOM 775 CA GLY A 124 -3.942 -3.725 1.990 1.00 0.00 C ATOM 776 C GLY A 124 -3.814 -3.227 3.420 1.00 0.00 C ATOM 777 O GLY A 124 -2.749 -3.233 4.047 1.00 0.00 O ATOM 0 H GLY A 124 -1.844 -3.565 1.825 1.00 0.00 H new ATOM 0 HA2 GLY A 124 -4.685 -3.123 1.468 1.00 0.00 H new ATOM 0 HA3 GLY A 124 -4.313 -4.750 2.001 1.00 0.00 H new ATOM 778 N LEU A 125 -4.903 -2.572 3.746 1.00 0.00 N ATOM 779 CA LEU A 125 -5.121 -1.953 5.056 1.00 0.00 C ATOM 780 C LEU A 125 -5.612 -2.938 6.095 1.00 0.00 C ATOM 781 O LEU A 125 -6.592 -3.665 5.909 1.00 0.00 O ATOM 782 CB LEU A 125 -6.042 -0.752 4.881 1.00 0.00 C ATOM 783 CG LEU A 125 -5.196 0.513 4.846 1.00 0.00 C ATOM 784 CD1 LEU A 125 -4.020 0.491 3.871 1.00 0.00 C ATOM 785 CD2 LEU A 125 -6.107 1.704 4.533 1.00 0.00 C ATOM 0 H LEU A 125 -5.685 -2.445 3.104 1.00 0.00 H new ATOM 0 HA LEU A 125 -4.167 -1.604 5.451 1.00 0.00 H new ATOM 0 HB2 LEU A 125 -6.616 -0.848 3.960 1.00 0.00 H new ATOM 0 HB3 LEU A 125 -6.759 -0.704 5.700 1.00 0.00 H new ATOM 0 HG LEU A 125 -4.738 0.595 5.832 1.00 0.00 H new ATOM 0 HD11 LEU A 125 -3.485 1.439 3.925 1.00 0.00 H new ATOM 0 HD12 LEU A 125 -3.344 -0.323 4.134 1.00 0.00 H new ATOM 0 HD13 LEU A 125 -4.391 0.341 2.857 1.00 0.00 H new ATOM 0 HD21 LEU A 125 -5.514 2.618 4.505 1.00 0.00 H new ATOM 0 HD22 LEU A 125 -6.585 1.552 3.566 1.00 0.00 H new ATOM 0 HD23 LEU A 125 -6.871 1.791 5.306 1.00 0.00 H new ATOM 786 N LYS A 126 -4.747 -3.095 7.077 1.00 0.00 N ATOM 787 CA LYS A 126 -5.132 -3.849 8.242 1.00 0.00 C ATOM 788 C LYS A 126 -5.993 -2.952 9.162 1.00 0.00 C ATOM 789 O LYS A 126 -5.500 -2.013 9.806 1.00 0.00 O ATOM 790 CB LYS A 126 -3.865 -4.358 8.951 1.00 0.00 C ATOM 791 CG LYS A 126 -3.957 -5.782 9.504 1.00 0.00 C ATOM 792 CD LYS A 126 -5.159 -6.002 10.437 1.00 0.00 C ATOM 793 CE LYS A 126 -5.140 -5.048 11.634 1.00 0.00 C ATOM 794 NZ LYS A 126 -4.749 -5.816 12.801 1.00 0.00 N ATOM 0 H LYS A 126 -3.799 -2.720 7.090 1.00 0.00 H new ATOM 0 HA LYS A 126 -5.732 -4.716 7.965 1.00 0.00 H new ATOM 0 HB2 LYS A 126 -3.032 -4.310 8.250 1.00 0.00 H new ATOM 0 HB3 LYS A 126 -3.630 -3.681 9.772 1.00 0.00 H new ATOM 0 HG2 LYS A 126 -4.020 -6.483 8.672 1.00 0.00 H new ATOM 0 HG3 LYS A 126 -3.040 -6.013 10.046 1.00 0.00 H new ATOM 0 HD2 LYS A 126 -6.083 -5.861 9.876 1.00 0.00 H new ATOM 0 HD3 LYS A 126 -5.156 -7.032 10.794 1.00 0.00 H new ATOM 0 HE2 LYS A 126 -4.440 -4.231 11.461 1.00 0.00 H new ATOM 0 HE3 LYS A 126 -6.123 -4.600 11.782 1.00 0.00 H new ATOM 0 HZ1 LYS A 126 -5.491 -5.748 13.526 1.00 0.00 H new ATOM 0 HZ2 LYS A 126 -4.617 -6.812 12.533 1.00 0.00 H new ATOM 0 HZ3 LYS A 126 -3.858 -5.439 13.182 1.00 0.00 H new ATOM 795 N LYS A 127 -7.270 -3.323 9.241 1.00 0.00 N ATOM 796 CA LYS A 127 -8.398 -2.539 9.802 1.00 0.00 C ATOM 797 C LYS A 127 -8.431 -2.163 11.302 1.00 0.00 C ATOM 798 O LYS A 127 -9.452 -1.702 11.815 1.00 0.00 O ATOM 799 CB LYS A 127 -9.746 -3.169 9.398 1.00 0.00 C ATOM 800 CG LYS A 127 -9.807 -4.687 9.620 1.00 0.00 C ATOM 801 CD LYS A 127 -9.790 -5.345 8.242 1.00 0.00 C ATOM 802 CE LYS A 127 -9.356 -6.807 8.270 1.00 0.00 C ATOM 803 NZ LYS A 127 -7.898 -6.906 8.437 1.00 0.00 N ATOM 0 H LYS A 127 -7.576 -4.233 8.897 1.00 0.00 H new ATOM 0 HA LYS A 127 -8.209 -1.569 9.341 1.00 0.00 H new ATOM 0 HB2 LYS A 127 -10.545 -2.695 9.968 1.00 0.00 H new ATOM 0 HB3 LYS A 127 -9.936 -2.956 8.346 1.00 0.00 H new ATOM 0 HG2 LYS A 127 -8.959 -5.023 10.217 1.00 0.00 H new ATOM 0 HG3 LYS A 127 -10.710 -4.960 10.166 1.00 0.00 H new ATOM 0 HD2 LYS A 127 -10.786 -5.278 7.804 1.00 0.00 H new ATOM 0 HD3 LYS A 127 -9.118 -4.787 7.590 1.00 0.00 H new ATOM 0 HE2 LYS A 127 -9.858 -7.326 9.086 1.00 0.00 H new ATOM 0 HE3 LYS A 127 -9.657 -7.300 7.346 1.00 0.00 H new ATOM 0 HZ1 LYS A 127 -7.542 -7.722 7.900 1.00 0.00 H new ATOM 0 HZ2 LYS A 127 -7.448 -6.037 8.085 1.00 0.00 H new ATOM 0 HZ3 LYS A 127 -7.672 -7.029 9.445 1.00 0.00 H new ATOM 804 N ASN A 128 -7.255 -2.110 11.887 1.00 0.00 N ATOM 805 CA ASN A 128 -7.041 -1.771 13.308 1.00 0.00 C ATOM 806 C ASN A 128 -6.106 -0.575 13.545 1.00 0.00 C ATOM 807 O ASN A 128 -5.984 -0.087 14.662 1.00 0.00 O ATOM 808 CB ASN A 128 -6.432 -2.958 14.045 1.00 0.00 C ATOM 809 CG ASN A 128 -7.418 -4.079 14.409 1.00 0.00 C ATOM 810 OD1 ASN A 128 -7.155 -5.262 14.337 1.00 0.00 O ATOM 811 ND2 ASN A 128 -8.592 -3.719 14.882 1.00 0.00 N ATOM 0 H ASN A 128 -6.387 -2.304 11.388 1.00 0.00 H new ATOM 0 HA ASN A 128 -8.031 -1.507 13.680 1.00 0.00 H new ATOM 0 HB2 ASN A 128 -5.639 -3.380 13.428 1.00 0.00 H new ATOM 0 HB3 ASN A 128 -5.965 -2.596 14.961 1.00 0.00 H new ATOM 0 HD21 ASN A 128 -9.261 -4.429 15.180 1.00 0.00 H new ATOM 0 HD22 ASN A 128 -8.833 -2.730 14.951 1.00 0.00 H new ATOM 812 N GLY A 129 -5.465 -0.148 12.458 1.00 0.00 N ATOM 813 CA GLY A 129 -4.367 0.833 12.540 1.00 0.00 C ATOM 814 C GLY A 129 -2.998 0.279 12.124 1.00 0.00 C ATOM 815 O GLY A 129 -1.965 0.711 12.633 1.00 0.00 O ATOM 0 H GLY A 129 -5.681 -0.460 11.511 1.00 0.00 H new ATOM 0 HA2 GLY A 129 -4.609 1.687 11.907 1.00 0.00 H new ATOM 0 HA3 GLY A 129 -4.301 1.204 13.563 1.00 0.00 H new ATOM 816 N SER A 130 -3.014 -0.779 11.329 1.00 0.00 N ATOM 817 CA SER A 130 -1.819 -1.266 10.635 1.00 0.00 C ATOM 818 C SER A 130 -2.107 -1.514 9.147 1.00 0.00 C ATOM 819 O SER A 130 -3.117 -1.042 8.641 1.00 0.00 O ATOM 820 CB SER A 130 -1.203 -2.474 11.377 1.00 0.00 C ATOM 821 OG SER A 130 -2.125 -3.546 11.500 1.00 0.00 O ATOM 0 H SER A 130 -3.853 -1.329 11.143 1.00 0.00 H new ATOM 0 HA SER A 130 -1.052 -0.492 10.654 1.00 0.00 H new ATOM 0 HB2 SER A 130 -0.318 -2.816 10.841 1.00 0.00 H new ATOM 0 HB3 SER A 130 -0.875 -2.162 12.368 1.00 0.00 H new ATOM 0 HG SER A 130 -1.759 -4.224 12.106 1.00 0.00 H new ATOM 822 N CYS A 131 -1.068 -1.881 8.399 1.00 0.00 N ATOM 823 CA CYS A 131 -1.226 -2.187 6.957 1.00 0.00 C ATOM 824 C CYS A 131 -0.786 -3.622 6.651 1.00 0.00 C ATOM 825 O CYS A 131 -1.620 -4.514 6.562 1.00 0.00 O ATOM 826 CB CYS A 131 -0.486 -1.205 6.024 1.00 0.00 C ATOM 827 SG CYS A 131 -1.206 0.464 5.872 1.00 0.00 S ATOM 0 H CYS A 131 -0.115 -1.976 8.751 1.00 0.00 H new ATOM 0 HA CYS A 131 -2.290 -2.072 6.752 1.00 0.00 H new ATOM 0 HB2 CYS A 131 0.540 -1.104 6.378 1.00 0.00 H new ATOM 0 HB3 CYS A 131 -0.438 -1.649 5.030 1.00 0.00 H new ATOM 0 HG CYS A 131 -2.147 0.613 6.756 1.00 0.00 H new ATOM 828 N LYS A 132 0.533 -3.814 6.751 1.00 0.00 N ATOM 829 CA LYS A 132 1.269 -5.043 6.430 1.00 0.00 C ATOM 830 C LYS A 132 0.533 -6.377 6.180 1.00 0.00 C ATOM 831 O LYS A 132 0.177 -7.110 7.101 1.00 0.00 O ATOM 832 CB LYS A 132 2.520 -5.177 7.325 1.00 0.00 C ATOM 833 CG LYS A 132 2.313 -5.738 8.743 1.00 0.00 C ATOM 834 CD LYS A 132 1.417 -4.879 9.639 1.00 0.00 C ATOM 835 CE LYS A 132 0.769 -5.705 10.766 1.00 0.00 C ATOM 836 NZ LYS A 132 -0.120 -6.717 10.175 1.00 0.00 N ATOM 0 H LYS A 132 1.153 -3.073 7.077 1.00 0.00 H new ATOM 0 HA LYS A 132 1.543 -4.858 5.391 1.00 0.00 H new ATOM 0 HB2 LYS A 132 3.237 -5.816 6.810 1.00 0.00 H new ATOM 0 HB3 LYS A 132 2.978 -4.192 7.415 1.00 0.00 H new ATOM 0 HG2 LYS A 132 1.880 -6.735 8.666 1.00 0.00 H new ATOM 0 HG3 LYS A 132 3.286 -5.849 9.222 1.00 0.00 H new ATOM 0 HD2 LYS A 132 2.006 -4.071 10.074 1.00 0.00 H new ATOM 0 HD3 LYS A 132 0.637 -4.415 9.035 1.00 0.00 H new ATOM 0 HE2 LYS A 132 1.539 -6.187 11.368 1.00 0.00 H new ATOM 0 HE3 LYS A 132 0.205 -5.053 11.433 1.00 0.00 H new ATOM 0 HZ1 LYS A 132 -1.081 -6.599 10.554 1.00 0.00 H new ATOM 0 HZ2 LYS A 132 -0.139 -6.602 9.142 1.00 0.00 H new ATOM 0 HZ3 LYS A 132 0.231 -7.667 10.411 1.00 0.00 H new ATOM 837 N ARG A 133 0.289 -6.624 4.901 1.00 0.00 N ATOM 838 CA ARG A 133 -0.240 -7.911 4.410 1.00 0.00 C ATOM 839 C ARG A 133 0.099 -8.298 2.967 1.00 0.00 C ATOM 840 O ARG A 133 0.640 -7.477 2.224 1.00 0.00 O ATOM 841 CB ARG A 133 -1.766 -8.005 4.576 1.00 0.00 C ATOM 842 CG ARG A 133 -2.081 -9.032 5.659 1.00 0.00 C ATOM 843 CD ARG A 133 -2.788 -8.390 6.856 1.00 0.00 C ATOM 844 NE ARG A 133 -4.239 -8.245 6.632 1.00 0.00 N ATOM 845 CZ ARG A 133 -4.898 -7.221 6.100 1.00 0.00 C ATOM 846 NH1 ARG A 133 -4.299 -6.135 5.635 1.00 0.00 N ATOM 847 NH2 ARG A 133 -6.205 -7.306 5.924 1.00 0.00 N ATOM 0 H ARG A 133 0.450 -5.940 4.162 1.00 0.00 H new ATOM 0 HA ARG A 133 0.285 -8.622 5.048 1.00 0.00 H new ATOM 0 HB2 ARG A 133 -2.177 -7.032 4.847 1.00 0.00 H new ATOM 0 HB3 ARG A 133 -2.231 -8.296 3.634 1.00 0.00 H new ATOM 0 HG2 ARG A 133 -2.710 -9.819 5.243 1.00 0.00 H new ATOM 0 HG3 ARG A 133 -1.157 -9.505 5.992 1.00 0.00 H new ATOM 0 HD2 ARG A 133 -2.618 -8.997 7.745 1.00 0.00 H new ATOM 0 HD3 ARG A 133 -2.352 -7.410 7.051 1.00 0.00 H new ATOM 0 HE ARG A 133 -4.813 -9.036 6.924 1.00 0.00 H new ATOM 0 HH11 ARG A 133 -3.283 -6.056 5.676 1.00 0.00 H new ATOM 0 HH12 ARG A 133 -4.854 -5.378 5.236 1.00 0.00 H new ATOM 0 HH21 ARG A 133 -6.702 -8.154 6.196 1.00 0.00 H new ATOM 0 HH22 ARG A 133 -6.717 -6.523 5.516 1.00 0.00 H new ATOM 848 N GLY A 134 0.075 -9.607 2.762 1.00 0.00 N ATOM 849 CA GLY A 134 0.338 -10.289 1.469 1.00 0.00 C ATOM 850 C GLY A 134 -0.693 -11.367 1.074 1.00 0.00 C ATOM 851 O GLY A 134 -1.554 -11.091 0.237 1.00 0.00 O ATOM 0 H GLY A 134 -0.135 -10.265 3.513 1.00 0.00 H new ATOM 0 HA2 GLY A 134 0.374 -9.537 0.681 1.00 0.00 H new ATOM 0 HA3 GLY A 134 1.324 -10.751 1.514 1.00 0.00 H new ATOM 852 N PRO A 135 -0.633 -12.591 1.633 1.00 0.00 N ATOM 853 CA PRO A 135 -1.398 -13.740 1.116 1.00 0.00 C ATOM 854 C PRO A 135 -2.917 -13.700 1.326 1.00 0.00 C ATOM 855 O PRO A 135 -3.666 -14.226 0.517 1.00 0.00 O ATOM 856 CB PRO A 135 -0.682 -14.956 1.695 1.00 0.00 C ATOM 857 CG PRO A 135 -0.268 -14.465 3.084 1.00 0.00 C ATOM 858 CD PRO A 135 0.086 -12.990 2.871 1.00 0.00 C ATOM 0 HA PRO A 135 -1.396 -13.751 0.026 1.00 0.00 H new ATOM 0 HB2 PRO A 135 -1.338 -15.825 1.750 1.00 0.00 H new ATOM 0 HB3 PRO A 135 0.180 -15.245 1.093 1.00 0.00 H new ATOM 0 HG2 PRO A 135 -1.078 -14.580 3.805 1.00 0.00 H new ATOM 0 HG3 PRO A 135 0.583 -15.027 3.468 1.00 0.00 H new ATOM 0 HD2 PRO A 135 -0.227 -12.383 3.721 1.00 0.00 H new ATOM 0 HD3 PRO A 135 1.162 -12.855 2.762 1.00 0.00 H new ATOM 859 N ARG A 136 -3.305 -13.081 2.433 1.00 0.00 N ATOM 860 CA ARG A 136 -4.709 -12.754 2.734 1.00 0.00 C ATOM 861 C ARG A 136 -5.310 -11.746 1.731 1.00 0.00 C ATOM 862 O ARG A 136 -6.412 -11.950 1.231 1.00 0.00 O ATOM 863 CB ARG A 136 -4.649 -12.161 4.133 1.00 0.00 C ATOM 864 CG ARG A 136 -6.035 -11.897 4.715 1.00 0.00 C ATOM 865 CD ARG A 136 -5.883 -11.079 5.990 1.00 0.00 C ATOM 866 NE ARG A 136 -7.211 -10.555 6.317 1.00 0.00 N ATOM 867 CZ ARG A 136 -7.754 -10.410 7.512 1.00 0.00 C ATOM 868 NH1 ARG A 136 -7.125 -10.686 8.650 1.00 0.00 N ATOM 869 NH2 ARG A 136 -8.988 -9.932 7.566 1.00 0.00 N ATOM 0 H ARG A 136 -2.654 -12.785 3.160 1.00 0.00 H new ATOM 0 HA ARG A 136 -5.353 -13.630 2.664 1.00 0.00 H new ATOM 0 HB2 ARG A 136 -4.106 -12.841 4.790 1.00 0.00 H new ATOM 0 HB3 ARG A 136 -4.086 -11.228 4.105 1.00 0.00 H new ATOM 0 HG2 ARG A 136 -6.652 -11.361 3.994 1.00 0.00 H new ATOM 0 HG3 ARG A 136 -6.540 -12.839 4.929 1.00 0.00 H new ATOM 0 HD2 ARG A 136 -5.500 -11.697 6.802 1.00 0.00 H new ATOM 0 HD3 ARG A 136 -5.171 -10.266 5.845 1.00 0.00 H new ATOM 0 HE ARG A 136 -7.786 -10.267 5.526 1.00 0.00 H new ATOM 0 HH11 ARG A 136 -6.166 -11.032 8.632 1.00 0.00 H new ATOM 0 HH12 ARG A 136 -7.602 -10.552 9.542 1.00 0.00 H new ATOM 0 HH21 ARG A 136 -9.480 -9.692 6.705 1.00 0.00 H new ATOM 0 HH22 ARG A 136 -9.446 -9.804 8.468 1.00 0.00 H new ATOM 870 N THR A 137 -4.511 -10.726 1.422 1.00 0.00 N ATOM 871 CA THR A 137 -4.915 -9.550 0.627 1.00 0.00 C ATOM 872 C THR A 137 -4.969 -9.778 -0.885 1.00 0.00 C ATOM 873 O THR A 137 -4.039 -9.463 -1.635 1.00 0.00 O ATOM 874 CB THR A 137 -4.024 -8.354 0.955 1.00 0.00 C ATOM 875 OG1 THR A 137 -2.664 -8.786 0.989 1.00 0.00 O ATOM 876 CG2 THR A 137 -4.481 -7.628 2.218 1.00 0.00 C ATOM 0 H THR A 137 -3.537 -10.686 1.722 1.00 0.00 H new ATOM 0 HA THR A 137 -5.945 -9.346 0.921 1.00 0.00 H new ATOM 0 HB THR A 137 -4.110 -7.602 0.171 1.00 0.00 H new ATOM 0 HG1 THR A 137 -2.569 -9.610 0.467 1.00 0.00 H new ATOM 0 HG21 THR A 137 -3.818 -6.785 2.413 1.00 0.00 H new ATOM 0 HG22 THR A 137 -5.500 -7.265 2.081 1.00 0.00 H new ATOM 0 HG23 THR A 137 -4.452 -8.315 3.064 1.00 0.00 H new ATOM 877 N HIS A 138 -6.060 -10.416 -1.245 1.00 0.00 N ATOM 878 CA HIS A 138 -6.522 -10.562 -2.637 1.00 0.00 C ATOM 879 C HIS A 138 -7.855 -9.814 -2.858 1.00 0.00 C ATOM 880 O HIS A 138 -8.521 -9.383 -1.908 1.00 0.00 O ATOM 881 CB HIS A 138 -6.693 -12.041 -2.994 1.00 0.00 C ATOM 882 CG HIS A 138 -7.757 -12.750 -2.143 1.00 0.00 C ATOM 883 ND1 HIS A 138 -9.074 -12.555 -2.199 1.00 0.00 N ATOM 884 CD2 HIS A 138 -7.527 -13.672 -1.214 1.00 0.00 C ATOM 885 CE1 HIS A 138 -9.655 -13.341 -1.300 1.00 0.00 C ATOM 886 NE2 HIS A 138 -8.698 -14.044 -0.706 1.00 0.00 N ATOM 0 H HIS A 138 -6.679 -10.866 -0.570 1.00 0.00 H new ATOM 0 HA HIS A 138 -5.765 -10.124 -3.287 1.00 0.00 H new ATOM 0 HB2 HIS A 138 -6.964 -12.125 -4.046 1.00 0.00 H new ATOM 0 HB3 HIS A 138 -5.738 -12.551 -2.869 1.00 0.00 H new ATOM 0 HD1 HIS A 138 -9.555 -11.911 -2.827 1.00 0.00 H new ATOM 0 HD2 HIS A 138 -6.559 -14.052 -0.923 1.00 0.00 H new ATOM 0 HE1 HIS A 138 -10.713 -13.398 -1.090 1.00 0.00 H new ATOM 887 N TYR A 139 -8.167 -9.592 -4.130 1.00 0.00 N ATOM 888 CA TYR A 139 -9.509 -9.127 -4.548 1.00 0.00 C ATOM 889 C TYR A 139 -10.653 -9.903 -3.884 1.00 0.00 C ATOM 890 O TYR A 139 -10.707 -11.128 -3.924 1.00 0.00 O ATOM 891 CB TYR A 139 -9.659 -9.167 -6.070 1.00 0.00 C ATOM 892 CG TYR A 139 -9.967 -7.796 -6.696 1.00 0.00 C ATOM 893 CD1 TYR A 139 -10.355 -6.685 -5.909 1.00 0.00 C ATOM 894 CD2 TYR A 139 -9.718 -7.649 -8.083 1.00 0.00 C ATOM 895 CE1 TYR A 139 -10.442 -5.410 -6.497 1.00 0.00 C ATOM 896 CE2 TYR A 139 -9.814 -6.373 -8.676 1.00 0.00 C ATOM 897 CZ TYR A 139 -10.156 -5.265 -7.867 1.00 0.00 C ATOM 898 OH TYR A 139 -10.072 -3.999 -8.373 1.00 0.00 O ATOM 0 H TYR A 139 -7.514 -9.724 -4.902 1.00 0.00 H new ATOM 0 HA TYR A 139 -9.585 -8.095 -4.207 1.00 0.00 H new ATOM 0 HB2 TYR A 139 -8.740 -9.558 -6.507 1.00 0.00 H new ATOM 0 HB3 TYR A 139 -10.457 -9.863 -6.330 1.00 0.00 H new ATOM 0 HD1 TYR A 139 -10.583 -6.816 -4.862 1.00 0.00 H new ATOM 0 HD2 TYR A 139 -9.456 -8.509 -8.682 1.00 0.00 H new ATOM 0 HE1 TYR A 139 -10.725 -4.553 -5.904 1.00 0.00 H new ATOM 0 HE2 TYR A 139 -9.629 -6.244 -9.732 1.00 0.00 H new ATOM 0 HH TYR A 139 -9.557 -4.013 -9.207 1.00 0.00 H new ATOM 899 N GLY A 140 -11.347 -9.136 -3.049 1.00 0.00 N ATOM 900 CA GLY A 140 -12.430 -9.642 -2.185 1.00 0.00 C ATOM 901 C GLY A 140 -12.270 -9.087 -0.768 1.00 0.00 C ATOM 902 O GLY A 140 -13.252 -8.779 -0.099 1.00 0.00 O ATOM 0 H GLY A 140 -11.179 -8.135 -2.946 1.00 0.00 H new ATOM 0 HA2 GLY A 140 -13.398 -9.350 -2.592 1.00 0.00 H new ATOM 0 HA3 GLY A 140 -12.410 -10.732 -2.162 1.00 0.00 H new ATOM 903 N GLN A 141 -11.015 -8.930 -0.336 1.00 0.00 N ATOM 904 CA GLN A 141 -10.683 -8.210 0.901 1.00 0.00 C ATOM 905 C GLN A 141 -10.895 -6.730 0.665 1.00 0.00 C ATOM 906 O GLN A 141 -10.213 -6.086 -0.137 1.00 0.00 O ATOM 907 CB GLN A 141 -9.208 -8.358 1.259 1.00 0.00 C ATOM 908 CG GLN A 141 -8.741 -9.798 1.500 1.00 0.00 C ATOM 909 CD GLN A 141 -9.323 -10.409 2.768 1.00 0.00 C ATOM 910 OE1 GLN A 141 -9.475 -9.802 3.821 1.00 0.00 O ATOM 911 NE2 GLN A 141 -9.625 -11.687 2.683 1.00 0.00 N ATOM 0 H GLN A 141 -10.202 -9.296 -0.831 1.00 0.00 H new ATOM 0 HA GLN A 141 -11.309 -8.617 1.695 1.00 0.00 H new ATOM 0 HB2 GLN A 141 -8.610 -7.928 0.456 1.00 0.00 H new ATOM 0 HB3 GLN A 141 -9.007 -7.772 2.156 1.00 0.00 H new ATOM 0 HG2 GLN A 141 -9.022 -10.413 0.645 1.00 0.00 H new ATOM 0 HG3 GLN A 141 -7.653 -9.816 1.561 1.00 0.00 H new ATOM 0 HE21 GLN A 141 -9.495 -12.184 1.802 1.00 0.00 H new ATOM 0 HE22 GLN A 141 -9.989 -12.180 3.498 1.00 0.00 H new ATOM 912 N LYS A 142 -11.752 -6.200 1.514 1.00 0.00 N ATOM 913 CA LYS A 142 -12.006 -4.754 1.618 1.00 0.00 C ATOM 914 C LYS A 142 -10.699 -3.973 1.820 1.00 0.00 C ATOM 915 O LYS A 142 -10.502 -2.902 1.243 1.00 0.00 O ATOM 916 CB LYS A 142 -12.976 -4.506 2.766 1.00 0.00 C ATOM 917 CG LYS A 142 -14.292 -5.276 2.559 1.00 0.00 C ATOM 918 CD LYS A 142 -15.371 -4.800 3.520 1.00 0.00 C ATOM 919 CE LYS A 142 -16.069 -3.539 3.022 1.00 0.00 C ATOM 920 NZ LYS A 142 -16.889 -2.995 4.121 1.00 0.00 N ATOM 0 H LYS A 142 -12.305 -6.758 2.165 1.00 0.00 H new ATOM 0 HA LYS A 142 -12.448 -4.398 0.687 1.00 0.00 H new ATOM 0 HB2 LYS A 142 -12.517 -4.812 3.706 1.00 0.00 H new ATOM 0 HB3 LYS A 142 -13.185 -3.439 2.845 1.00 0.00 H new ATOM 0 HG2 LYS A 142 -14.634 -5.146 1.532 1.00 0.00 H new ATOM 0 HG3 LYS A 142 -14.118 -6.342 2.704 1.00 0.00 H new ATOM 0 HD2 LYS A 142 -16.108 -5.591 3.657 1.00 0.00 H new ATOM 0 HD3 LYS A 142 -14.926 -4.606 4.496 1.00 0.00 H new ATOM 0 HE2 LYS A 142 -15.334 -2.802 2.697 1.00 0.00 H new ATOM 0 HE3 LYS A 142 -16.695 -3.768 2.159 1.00 0.00 H new ATOM 0 HZ1 LYS A 142 -17.373 -2.133 3.799 1.00 0.00 H new ATOM 0 HZ2 LYS A 142 -17.595 -3.702 4.410 1.00 0.00 H new ATOM 0 HZ3 LYS A 142 -16.277 -2.766 4.930 1.00 0.00 H new ATOM 921 N ALA A 143 -9.765 -4.647 2.511 1.00 0.00 N ATOM 922 CA ALA A 143 -8.382 -4.219 2.798 1.00 0.00 C ATOM 923 C ALA A 143 -7.626 -3.534 1.660 1.00 0.00 C ATOM 924 O ALA A 143 -7.061 -2.460 1.868 1.00 0.00 O ATOM 925 CB ALA A 143 -7.596 -5.437 3.300 1.00 0.00 C ATOM 0 H ALA A 143 -9.966 -5.564 2.910 1.00 0.00 H new ATOM 0 HA ALA A 143 -8.468 -3.436 3.551 1.00 0.00 H new ATOM 0 HB1 ALA A 143 -6.569 -5.143 3.518 1.00 0.00 H new ATOM 0 HB2 ALA A 143 -8.063 -5.823 4.206 1.00 0.00 H new ATOM 0 HB3 ALA A 143 -7.596 -6.211 2.533 1.00 0.00 H new ATOM 926 N ILE A 144 -7.725 -4.109 0.463 1.00 0.00 N ATOM 927 CA ILE A 144 -6.905 -3.723 -0.702 1.00 0.00 C ATOM 928 C ILE A 144 -7.319 -2.498 -1.539 1.00 0.00 C ATOM 929 O ILE A 144 -6.549 -2.087 -2.408 1.00 0.00 O ATOM 930 CB ILE A 144 -6.668 -4.941 -1.627 1.00 0.00 C ATOM 931 CG1 ILE A 144 -7.959 -5.507 -2.211 1.00 0.00 C ATOM 932 CG2 ILE A 144 -5.801 -5.948 -0.876 1.00 0.00 C ATOM 933 CD1 ILE A 144 -7.637 -6.351 -3.436 1.00 0.00 C ATOM 0 H ILE A 144 -8.381 -4.864 0.264 1.00 0.00 H new ATOM 0 HA ILE A 144 -5.989 -3.378 -0.222 1.00 0.00 H new ATOM 0 HB ILE A 144 -6.123 -4.633 -2.520 1.00 0.00 H new ATOM 0 HG12 ILE A 144 -8.473 -6.112 -1.465 1.00 0.00 H new ATOM 0 HG13 ILE A 144 -8.634 -4.695 -2.483 1.00 0.00 H new ATOM 0 HG21 ILE A 144 -5.620 -6.816 -1.509 1.00 0.00 H new ATOM 0 HG22 ILE A 144 -4.849 -5.485 -0.615 1.00 0.00 H new ATOM 0 HG23 ILE A 144 -6.313 -6.262 0.033 1.00 0.00 H new ATOM 0 HD11 ILE A 144 -8.560 -6.755 -3.852 1.00 0.00 H new ATOM 0 HD12 ILE A 144 -7.142 -5.732 -4.184 1.00 0.00 H new ATOM 0 HD13 ILE A 144 -6.979 -7.171 -3.150 1.00 0.00 H new ATOM 934 N LEU A 145 -8.491 -1.911 -1.278 1.00 0.00 N ATOM 935 CA LEU A 145 -9.013 -0.841 -2.162 1.00 0.00 C ATOM 936 C LEU A 145 -9.050 0.587 -1.609 1.00 0.00 C ATOM 937 O LEU A 145 -10.036 1.021 -1.011 1.00 0.00 O ATOM 938 CB LEU A 145 -10.319 -1.243 -2.860 1.00 0.00 C ATOM 939 CG LEU A 145 -11.396 -1.899 -1.977 1.00 0.00 C ATOM 940 CD1 LEU A 145 -12.781 -1.464 -2.445 1.00 0.00 C ATOM 941 CD2 LEU A 145 -11.277 -3.420 -2.014 1.00 0.00 C ATOM 0 H LEU A 145 -9.090 -2.144 -0.486 1.00 0.00 H new ATOM 0 HA LEU A 145 -8.229 -0.764 -2.915 1.00 0.00 H new ATOM 0 HB2 LEU A 145 -10.749 -0.352 -3.318 1.00 0.00 H new ATOM 0 HB3 LEU A 145 -10.075 -1.931 -3.669 1.00 0.00 H new ATOM 0 HG LEU A 145 -11.247 -1.574 -0.947 1.00 0.00 H new ATOM 0 HD11 LEU A 145 -13.540 -1.931 -1.817 1.00 0.00 H new ATOM 0 HD12 LEU A 145 -12.866 -0.380 -2.372 1.00 0.00 H new ATOM 0 HD13 LEU A 145 -12.928 -1.770 -3.481 1.00 0.00 H new ATOM 0 HD21 LEU A 145 -12.048 -3.861 -1.383 1.00 0.00 H new ATOM 0 HD22 LEU A 145 -11.403 -3.770 -3.039 1.00 0.00 H new ATOM 0 HD23 LEU A 145 -10.294 -3.717 -1.647 1.00 0.00 H new ATOM 942 N PHE A 146 -7.948 1.305 -1.842 1.00 0.00 N ATOM 943 CA PHE A 146 -7.804 2.728 -1.437 1.00 0.00 C ATOM 944 C PHE A 146 -7.467 3.745 -2.497 1.00 0.00 C ATOM 945 O PHE A 146 -6.664 3.547 -3.408 1.00 0.00 O ATOM 946 CB PHE A 146 -6.866 2.914 -0.223 1.00 0.00 C ATOM 947 CG PHE A 146 -5.756 1.885 -0.100 1.00 0.00 C ATOM 948 CD1 PHE A 146 -4.713 1.835 -1.057 1.00 0.00 C ATOM 949 CD2 PHE A 146 -5.979 0.817 0.787 1.00 0.00 C ATOM 950 CE1 PHE A 146 -3.928 0.667 -1.150 1.00 0.00 C ATOM 951 CE2 PHE A 146 -5.203 -0.350 0.689 1.00 0.00 C ATOM 952 CZ PHE A 146 -4.184 -0.420 -0.288 1.00 0.00 C ATOM 0 H PHE A 146 -7.126 0.928 -2.315 1.00 0.00 H new ATOM 0 HA PHE A 146 -8.836 2.956 -1.170 1.00 0.00 H new ATOM 0 HB2 PHE A 146 -6.416 3.905 -0.280 1.00 0.00 H new ATOM 0 HB3 PHE A 146 -7.466 2.888 0.687 1.00 0.00 H new ATOM 0 HD1 PHE A 146 -4.522 2.678 -1.705 1.00 0.00 H new ATOM 0 HD2 PHE A 146 -6.746 0.894 1.543 1.00 0.00 H new ATOM 0 HE1 PHE A 146 -3.133 0.605 -1.879 1.00 0.00 H new ATOM 0 HE2 PHE A 146 -5.383 -1.183 1.352 1.00 0.00 H new ATOM 0 HZ PHE A 146 -3.592 -1.319 -0.376 1.00 0.00 H new ATOM 953 N LEU A 147 -8.242 4.812 -2.389 1.00 0.00 N ATOM 954 CA LEU A 147 -8.160 5.971 -3.296 1.00 0.00 C ATOM 955 C LEU A 147 -6.985 6.928 -3.031 1.00 0.00 C ATOM 956 O LEU A 147 -6.807 7.382 -1.894 1.00 0.00 O ATOM 957 CB LEU A 147 -9.514 6.701 -3.381 1.00 0.00 C ATOM 958 CG LEU A 147 -10.363 6.707 -2.094 1.00 0.00 C ATOM 959 CD1 LEU A 147 -9.763 7.604 -1.027 1.00 0.00 C ATOM 960 CD2 LEU A 147 -11.788 7.176 -2.407 1.00 0.00 C ATOM 0 H LEU A 147 -8.955 4.910 -1.667 1.00 0.00 H new ATOM 0 HA LEU A 147 -7.931 5.556 -4.278 1.00 0.00 H new ATOM 0 HB2 LEU A 147 -9.329 7.734 -3.675 1.00 0.00 H new ATOM 0 HB3 LEU A 147 -10.101 6.243 -4.177 1.00 0.00 H new ATOM 0 HG LEU A 147 -10.381 5.687 -1.710 1.00 0.00 H new ATOM 0 HD11 LEU A 147 -10.391 7.580 -0.136 1.00 0.00 H new ATOM 0 HD12 LEU A 147 -8.763 7.251 -0.775 1.00 0.00 H new ATOM 0 HD13 LEU A 147 -9.703 8.626 -1.402 1.00 0.00 H new ATOM 0 HD21 LEU A 147 -12.380 7.177 -1.492 1.00 0.00 H new ATOM 0 HD22 LEU A 147 -11.757 8.184 -2.820 1.00 0.00 H new ATOM 0 HD23 LEU A 147 -12.242 6.501 -3.132 1.00 0.00 H new ATOM 961 N PRO A 148 -6.160 7.223 -4.050 1.00 0.00 N ATOM 962 CA PRO A 148 -5.127 8.297 -4.009 1.00 0.00 C ATOM 963 C PRO A 148 -5.751 9.703 -4.065 1.00 0.00 C ATOM 964 O PRO A 148 -5.110 10.680 -4.444 1.00 0.00 O ATOM 965 CB PRO A 148 -4.292 8.073 -5.268 1.00 0.00 C ATOM 966 CG PRO A 148 -4.501 6.609 -5.611 1.00 0.00 C ATOM 967 CD PRO A 148 -5.948 6.343 -5.212 1.00 0.00 C ATOM 0 HA PRO A 148 -4.553 8.249 -3.084 1.00 0.00 H new ATOM 0 HB2 PRO A 148 -4.619 8.721 -6.081 1.00 0.00 H new ATOM 0 HB3 PRO A 148 -3.239 8.292 -5.090 1.00 0.00 H new ATOM 0 HG2 PRO A 148 -4.338 6.420 -6.672 1.00 0.00 H new ATOM 0 HG3 PRO A 148 -3.811 5.968 -5.063 1.00 0.00 H new ATOM 0 HD2 PRO A 148 -6.636 6.579 -6.023 1.00 0.00 H new ATOM 0 HD3 PRO A 148 -6.106 5.296 -4.955 1.00 0.00 H new