USER MOD reduce.3.24.130724 H: found=0, std=0, add=693, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 693 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 VAL N :NH3+ -108:sc= 0.708 (180deg=-1.61!) USER MOD Single : A 2 SER OG : rot 50:sc= 1.27 USER MOD Single : A 3 GLN : amide:sc= 0 X(o=0,f=-0.0051) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 LYS NZ :NH3+ 164:sc= 1.25 (180deg=1.18) USER MOD Single : A 13 ASN : amide:sc= 1.13 K(o=1.1,f=0) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 SER OG : rot 180:sc= 0.115 USER MOD Single : A 21 THR OG1 : rot 180:sc= 0.0256 USER MOD Single : A 28 TYR OH : rot 32:sc= 0.0434 USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 GLN : amide:sc= -1.01 K(o=-1,f=-5.4!) USER MOD Single : A 35 THR OG1 : rot -178:sc= 0.883 USER MOD Single : A 39 ASN : amide:sc= -0.136 K(o=-0.14,f=-3.5!) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 ASN : amide:sc= 0.941 K(o=0.94,f=-4.7!) USER MOD Single : A 49 MET CE :methyl -166:sc= -0.0247 (180deg=-0.444) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 ASN : amide:sc= -0.0121 X(o=-0.012,f=-0.47) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 LYS NZ :NH3+ -151:sc= 1.1 (180deg=0.568) USER MOD Single : A 65 SER OG : rot -51:sc= 1.11 USER MOD Single : A 66 GLN : amide:sc= 0 X(o=0,f=-0.095) USER MOD Single : A 71 LYS NZ :NH3+ 150:sc= 2.43 (180deg=1.86) USER MOD Single : A 73 TYR OH : rot -110:sc= 0 USER MOD Single : A 79 GLN : amide:sc= 0.758 K(o=0.76,f=0) USER MOD Single : A 83 LYS NZ :NH3+ -133:sc= 1.04 (180deg=-0.000188) USER MOD Single : A 84 TYR OH : rot 151:sc= 1.22 USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 -10.864 10.580 -3.228 1.00 0.00 N ATOM 2 CA VAL A 1 -11.217 10.556 -1.790 1.00 0.00 C ATOM 3 C VAL A 1 -10.574 9.440 -1.040 1.00 0.00 C ATOM 4 O VAL A 1 -10.642 8.270 -1.414 1.00 0.00 O ATOM 5 CB VAL A 1 -12.709 10.594 -1.638 1.00 0.00 C ATOM 6 CG1 VAL A 1 -13.149 10.445 -0.172 1.00 0.00 C ATOM 7 CG2 VAL A 1 -13.253 11.931 -2.169 1.00 0.00 C ATOM 0 H1 VAL A 1 -10.224 11.378 -3.415 1.00 0.00 H new ATOM 0 H2 VAL A 1 -10.391 9.690 -3.484 1.00 0.00 H new ATOM 0 H3 VAL A 1 -11.728 10.689 -3.796 1.00 0.00 H new ATOM 0 HA VAL A 1 -10.806 11.452 -1.326 1.00 0.00 H new ATOM 0 HB VAL A 1 -13.108 9.754 -2.207 1.00 0.00 H new ATOM 0 HG11 VAL A 1 -14.237 10.479 -0.113 1.00 0.00 H new ATOM 0 HG12 VAL A 1 -12.794 9.492 0.219 1.00 0.00 H new ATOM 0 HG13 VAL A 1 -12.729 11.259 0.419 1.00 0.00 H new ATOM 0 HG21 VAL A 1 -14.337 11.953 -2.056 1.00 0.00 H new ATOM 0 HG22 VAL A 1 -12.812 12.753 -1.605 1.00 0.00 H new ATOM 0 HG23 VAL A 1 -12.996 12.036 -3.223 1.00 0.00 H new ATOM 19 N SER A 2 -9.871 9.759 0.060 1.00 0.00 N ATOM 20 CA SER A 2 -9.059 8.947 0.913 1.00 0.00 C ATOM 21 C SER A 2 -9.798 8.255 2.007 1.00 0.00 C ATOM 22 O SER A 2 -9.207 7.525 2.801 1.00 0.00 O ATOM 23 CB SER A 2 -8.008 9.812 1.627 1.00 0.00 C ATOM 24 OG SER A 2 -7.082 10.392 0.719 1.00 0.00 O ATOM 0 H SER A 2 -9.876 10.723 0.394 1.00 0.00 H new ATOM 0 HA SER A 2 -8.635 8.202 0.240 1.00 0.00 H new ATOM 0 HB2 SER A 2 -8.509 10.602 2.186 1.00 0.00 H new ATOM 0 HB3 SER A 2 -7.469 9.202 2.352 1.00 0.00 H new ATOM 0 HG SER A 2 -7.569 10.828 -0.011 1.00 0.00 H new ATOM 30 N GLN A 3 -11.129 8.408 2.119 1.00 0.00 N ATOM 31 CA GLN A 3 -11.891 7.731 3.122 1.00 0.00 C ATOM 32 C GLN A 3 -11.919 6.259 2.889 1.00 0.00 C ATOM 33 O GLN A 3 -11.466 5.459 3.705 1.00 0.00 O ATOM 34 CB GLN A 3 -13.337 8.253 3.185 1.00 0.00 C ATOM 35 CG GLN A 3 -13.442 9.707 3.649 1.00 0.00 C ATOM 36 CD GLN A 3 -14.908 10.110 3.718 1.00 0.00 C ATOM 37 OE1 GLN A 3 -15.579 10.237 2.695 1.00 0.00 O ATOM 38 NE2 GLN A 3 -15.436 10.317 4.954 1.00 0.00 N ATOM 0 H GLN A 3 -11.683 9.008 1.507 1.00 0.00 H new ATOM 0 HA GLN A 3 -11.396 7.934 4.072 1.00 0.00 H new ATOM 0 HB2 GLN A 3 -13.791 8.161 2.198 1.00 0.00 H new ATOM 0 HB3 GLN A 3 -13.913 7.622 3.861 1.00 0.00 H new ATOM 0 HG2 GLN A 3 -12.975 9.823 4.627 1.00 0.00 H new ATOM 0 HG3 GLN A 3 -12.906 10.360 2.960 1.00 0.00 H new ATOM 0 HE21 GLN A 3 -14.853 10.203 5.783 1.00 0.00 H new ATOM 0 HE22 GLN A 3 -16.415 10.586 5.052 1.00 0.00 H new ATOM 47 N LEU A 4 -12.380 5.859 1.689 1.00 0.00 N ATOM 48 CA LEU A 4 -12.487 4.526 1.184 1.00 0.00 C ATOM 49 C LEU A 4 -11.165 3.848 1.076 1.00 0.00 C ATOM 50 O LEU A 4 -11.056 2.627 1.181 1.00 0.00 O ATOM 51 CB LEU A 4 -13.074 4.523 -0.238 1.00 0.00 C ATOM 52 CG LEU A 4 -12.607 5.725 -1.077 1.00 0.00 C ATOM 53 CD1 LEU A 4 -12.461 5.312 -2.552 1.00 0.00 C ATOM 54 CD2 LEU A 4 -13.571 6.921 -1.011 1.00 0.00 C ATOM 0 H LEU A 4 -12.710 6.541 1.006 1.00 0.00 H new ATOM 0 HA LEU A 4 -13.127 4.002 1.894 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -12.788 3.600 -0.743 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -14.162 4.529 -0.177 1.00 0.00 H new ATOM 0 HG LEU A 4 -11.652 6.036 -0.654 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -12.130 6.169 -3.139 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -11.727 4.510 -2.634 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -13.422 4.964 -2.929 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -13.184 7.735 -1.624 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -14.550 6.620 -1.384 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -13.664 7.257 0.022 1.00 0.00 H new ATOM 66 N PHE A 5 -10.103 4.649 0.881 1.00 0.00 N ATOM 67 CA PHE A 5 -8.741 4.224 0.963 1.00 0.00 C ATOM 68 C PHE A 5 -8.454 3.622 2.296 1.00 0.00 C ATOM 69 O PHE A 5 -8.069 2.458 2.389 1.00 0.00 O ATOM 70 CB PHE A 5 -7.872 5.440 0.602 1.00 0.00 C ATOM 71 CG PHE A 5 -6.410 5.169 0.682 1.00 0.00 C ATOM 72 CD1 PHE A 5 -5.770 5.253 1.896 1.00 0.00 C ATOM 73 CD2 PHE A 5 -5.697 4.833 -0.445 1.00 0.00 C ATOM 74 CE1 PHE A 5 -4.434 4.947 2.007 1.00 0.00 C ATOM 75 CE2 PHE A 5 -4.360 4.526 -0.351 1.00 0.00 C ATOM 76 CZ PHE A 5 -3.742 4.585 0.875 1.00 0.00 C ATOM 0 H PHE A 5 -10.199 5.639 0.656 1.00 0.00 H new ATOM 0 HA PHE A 5 -8.513 3.424 0.259 1.00 0.00 H new ATOM 0 HB2 PHE A 5 -8.118 5.766 -0.409 1.00 0.00 H new ATOM 0 HB3 PHE A 5 -8.118 6.264 1.271 1.00 0.00 H new ATOM 0 HD1 PHE A 5 -6.322 5.562 2.771 1.00 0.00 H new ATOM 0 HD2 PHE A 5 -6.189 4.810 -1.406 1.00 0.00 H new ATOM 0 HE1 PHE A 5 -3.937 4.990 2.965 1.00 0.00 H new ATOM 0 HE2 PHE A 5 -3.802 4.242 -1.231 1.00 0.00 H new ATOM 0 HZ PHE A 5 -2.692 4.342 0.951 1.00 0.00 H new ATOM 86 N GLU A 6 -8.705 4.332 3.410 1.00 0.00 N ATOM 87 CA GLU A 6 -8.414 3.809 4.710 1.00 0.00 C ATOM 88 C GLU A 6 -9.436 2.844 5.203 1.00 0.00 C ATOM 89 O GLU A 6 -9.186 2.073 6.129 1.00 0.00 O ATOM 90 CB GLU A 6 -8.116 4.884 5.769 1.00 0.00 C ATOM 91 CG GLU A 6 -6.691 5.433 5.666 1.00 0.00 C ATOM 92 CD GLU A 6 -6.295 6.359 6.807 1.00 0.00 C ATOM 93 OE1 GLU A 6 -6.297 5.922 7.989 1.00 0.00 O ATOM 94 OE2 GLU A 6 -5.961 7.543 6.534 1.00 0.00 O ATOM 0 H GLU A 6 -9.109 5.268 3.411 1.00 0.00 H new ATOM 0 HA GLU A 6 -7.487 3.254 4.562 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -8.826 5.704 5.659 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -8.268 4.462 6.762 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -5.993 4.597 5.633 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -6.588 5.971 4.724 1.00 0.00 H new ATOM 101 N GLU A 7 -10.619 2.778 4.566 1.00 0.00 N ATOM 102 CA GLU A 7 -11.553 1.721 4.795 1.00 0.00 C ATOM 103 C GLU A 7 -11.011 0.415 4.324 1.00 0.00 C ATOM 104 O GLU A 7 -10.775 -0.532 5.072 1.00 0.00 O ATOM 105 CB GLU A 7 -12.847 1.924 3.990 1.00 0.00 C ATOM 106 CG GLU A 7 -13.665 3.153 4.390 1.00 0.00 C ATOM 107 CD GLU A 7 -14.488 3.009 5.663 1.00 0.00 C ATOM 108 OE1 GLU A 7 -13.949 2.657 6.745 1.00 0.00 O ATOM 109 OE2 GLU A 7 -15.722 3.254 5.587 1.00 0.00 O ATOM 0 H GLU A 7 -10.931 3.468 3.883 1.00 0.00 H new ATOM 0 HA GLU A 7 -11.742 1.726 5.869 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -12.592 2.003 2.933 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -13.471 1.037 4.102 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -12.985 3.996 4.512 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -14.338 3.402 3.570 1.00 0.00 H new ATOM 116 N LYS A 8 -10.784 0.364 2.999 1.00 0.00 N ATOM 117 CA LYS A 8 -10.541 -0.855 2.292 1.00 0.00 C ATOM 118 C LYS A 8 -9.102 -1.241 2.229 1.00 0.00 C ATOM 119 O LYS A 8 -8.810 -2.410 1.986 1.00 0.00 O ATOM 120 CB LYS A 8 -11.156 -0.782 0.885 1.00 0.00 C ATOM 121 CG LYS A 8 -12.659 -0.504 0.829 1.00 0.00 C ATOM 122 CD LYS A 8 -13.523 -1.463 1.649 1.00 0.00 C ATOM 123 CE LYS A 8 -15.025 -1.265 1.437 1.00 0.00 C ATOM 124 NZ LYS A 8 -15.796 -2.085 2.397 1.00 0.00 N ATOM 0 H LYS A 8 -10.769 1.192 2.404 1.00 0.00 H new ATOM 0 HA LYS A 8 -11.028 -1.645 2.863 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -10.640 -0.003 0.324 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -10.961 -1.725 0.374 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -12.839 0.513 1.178 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -12.983 -0.546 -0.211 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -13.260 -2.488 1.390 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -13.293 -1.333 2.706 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -15.280 -0.213 1.561 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -15.294 -1.540 0.417 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -16.814 -1.939 2.240 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -15.565 -3.090 2.259 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -15.552 -1.804 3.368 1.00 0.00 H new ATOM 138 N ALA A 9 -8.131 -0.347 2.488 1.00 0.00 N ATOM 139 CA ALA A 9 -6.746 -0.696 2.418 1.00 0.00 C ATOM 140 C ALA A 9 -6.334 -1.588 3.539 1.00 0.00 C ATOM 141 O ALA A 9 -5.607 -2.570 3.396 1.00 0.00 O ATOM 142 CB ALA A 9 -5.846 0.547 2.522 1.00 0.00 C ATOM 0 H ALA A 9 -8.307 0.624 2.748 1.00 0.00 H new ATOM 0 HA ALA A 9 -6.628 -1.198 1.458 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -4.800 0.245 2.465 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -6.072 1.229 1.702 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -6.027 1.049 3.472 1.00 0.00 H new ATOM 148 N LYS A 10 -6.889 -1.257 4.718 1.00 0.00 N ATOM 149 CA LYS A 10 -6.849 -2.020 5.927 1.00 0.00 C ATOM 150 C LYS A 10 -7.318 -3.421 5.736 1.00 0.00 C ATOM 151 O LYS A 10 -6.727 -4.359 6.268 1.00 0.00 O ATOM 152 CB LYS A 10 -7.756 -1.309 6.947 1.00 0.00 C ATOM 153 CG LYS A 10 -6.996 -0.764 8.157 1.00 0.00 C ATOM 154 CD LYS A 10 -6.396 -1.826 9.079 1.00 0.00 C ATOM 155 CE LYS A 10 -7.425 -2.736 9.755 1.00 0.00 C ATOM 156 NZ LYS A 10 -6.789 -3.694 10.687 1.00 0.00 N ATOM 0 H LYS A 10 -7.407 -0.386 4.834 1.00 0.00 H new ATOM 0 HA LYS A 10 -5.817 -2.081 6.271 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -8.273 -0.487 6.452 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -8.520 -2.006 7.291 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -6.193 -0.118 7.801 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -7.673 -0.139 8.740 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -5.708 -2.443 8.501 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -5.808 -1.329 9.850 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -8.147 -2.126 10.298 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -7.980 -3.284 8.994 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -7.512 -4.098 11.316 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -6.336 -4.457 10.145 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -6.072 -3.201 11.256 1.00 0.00 H new ATOM 170 N ALA A 11 -8.380 -3.609 4.932 1.00 0.00 N ATOM 171 CA ALA A 11 -8.977 -4.880 4.658 1.00 0.00 C ATOM 172 C ALA A 11 -8.084 -5.712 3.803 1.00 0.00 C ATOM 173 O ALA A 11 -7.685 -6.804 4.203 1.00 0.00 O ATOM 174 CB ALA A 11 -10.348 -4.688 3.989 1.00 0.00 C ATOM 0 H ALA A 11 -8.844 -2.839 4.450 1.00 0.00 H new ATOM 0 HA ALA A 11 -9.121 -5.405 5.602 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -10.793 -5.662 3.785 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -11.001 -4.123 4.654 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -10.223 -4.143 3.053 1.00 0.00 H new ATOM 180 N VAL A 12 -7.675 -5.235 2.614 1.00 0.00 N ATOM 181 CA VAL A 12 -6.920 -5.992 1.664 1.00 0.00 C ATOM 182 C VAL A 12 -5.577 -6.421 2.148 1.00 0.00 C ATOM 183 O VAL A 12 -5.083 -7.478 1.759 1.00 0.00 O ATOM 184 CB VAL A 12 -6.825 -5.317 0.329 1.00 0.00 C ATOM 185 CG1 VAL A 12 -8.239 -5.275 -0.277 1.00 0.00 C ATOM 186 CG2 VAL A 12 -6.213 -3.910 0.441 1.00 0.00 C ATOM 0 H VAL A 12 -7.878 -4.285 2.302 1.00 0.00 H new ATOM 0 HA VAL A 12 -7.497 -6.907 1.534 1.00 0.00 H new ATOM 0 HB VAL A 12 -6.156 -5.879 -0.323 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -8.203 -4.788 -1.252 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -8.616 -6.291 -0.393 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -8.901 -4.716 0.384 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -6.162 -3.456 -0.548 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -6.834 -3.294 1.092 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -5.209 -3.982 0.859 1.00 0.00 H new ATOM 196 N ASN A 13 -4.971 -5.670 3.084 1.00 0.00 N ATOM 197 CA ASN A 13 -3.719 -6.046 3.664 1.00 0.00 C ATOM 198 C ASN A 13 -3.791 -7.232 4.562 1.00 0.00 C ATOM 199 O ASN A 13 -2.786 -7.909 4.773 1.00 0.00 O ATOM 200 CB ASN A 13 -3.088 -4.864 4.420 1.00 0.00 C ATOM 201 CG ASN A 13 -2.260 -3.992 3.487 1.00 0.00 C ATOM 202 OD1 ASN A 13 -1.038 -4.124 3.419 1.00 0.00 O ATOM 203 ND2 ASN A 13 -2.917 -3.054 2.755 1.00 0.00 N ATOM 0 H ASN A 13 -5.352 -4.794 3.442 1.00 0.00 H new ATOM 0 HA ASN A 13 -3.090 -6.333 2.821 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -3.872 -4.264 4.882 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -2.457 -5.239 5.226 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -2.397 -2.438 2.130 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -3.930 -2.966 2.830 1.00 0.00 H new ATOM 210 N GLU A 14 -4.975 -7.559 5.109 1.00 0.00 N ATOM 211 CA GLU A 14 -5.141 -8.605 6.070 1.00 0.00 C ATOM 212 C GLU A 14 -6.281 -9.513 5.756 1.00 0.00 C ATOM 213 O GLU A 14 -6.752 -10.276 6.598 1.00 0.00 O ATOM 214 CB GLU A 14 -5.279 -8.059 7.502 1.00 0.00 C ATOM 215 CG GLU A 14 -6.596 -7.355 7.832 1.00 0.00 C ATOM 216 CD GLU A 14 -6.570 -6.720 9.215 1.00 0.00 C ATOM 217 OE1 GLU A 14 -5.724 -5.819 9.457 1.00 0.00 O ATOM 218 OE2 GLU A 14 -7.421 -7.093 10.067 1.00 0.00 O ATOM 0 H GLU A 14 -5.845 -7.080 4.875 1.00 0.00 H new ATOM 0 HA GLU A 14 -4.227 -9.196 6.011 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -5.149 -8.887 8.199 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -4.462 -7.360 7.682 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -6.795 -6.587 7.084 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -7.415 -8.073 7.777 1.00 0.00 H new ATOM 225 N LEU A 15 -6.761 -9.515 4.500 1.00 0.00 N ATOM 226 CA LEU A 15 -7.857 -10.307 4.033 1.00 0.00 C ATOM 227 C LEU A 15 -7.442 -11.736 3.950 1.00 0.00 C ATOM 228 O LEU A 15 -6.242 -11.993 3.873 1.00 0.00 O ATOM 229 CB LEU A 15 -8.292 -9.727 2.676 1.00 0.00 C ATOM 230 CG LEU A 15 -9.776 -9.388 2.451 1.00 0.00 C ATOM 231 CD1 LEU A 15 -10.493 -8.726 3.638 1.00 0.00 C ATOM 232 CD2 LEU A 15 -9.909 -8.496 1.205 1.00 0.00 C ATOM 0 H LEU A 15 -6.360 -8.929 3.767 1.00 0.00 H new ATOM 0 HA LEU A 15 -8.707 -10.276 4.715 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -7.717 -8.816 2.508 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -7.996 -10.438 1.904 1.00 0.00 H new ATOM 0 HG LEU A 15 -10.275 -10.348 2.319 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -11.532 -8.530 3.372 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -10.458 -9.391 4.501 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -9.998 -7.786 3.884 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -10.959 -8.253 1.042 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -9.343 -7.576 1.354 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -9.519 -9.025 0.335 1.00 0.00 H new ATOM 244 N PRO A 16 -8.281 -12.727 3.991 1.00 0.00 N ATOM 245 CA PRO A 16 -7.856 -14.097 4.019 1.00 0.00 C ATOM 246 C PRO A 16 -7.401 -14.545 2.673 1.00 0.00 C ATOM 247 O PRO A 16 -6.673 -15.530 2.561 1.00 0.00 O ATOM 248 CB PRO A 16 -9.122 -14.841 4.438 1.00 0.00 C ATOM 249 CG PRO A 16 -10.275 -14.027 3.830 1.00 0.00 C ATOM 250 CD PRO A 16 -9.721 -12.594 3.824 1.00 0.00 C ATOM 0 HA PRO A 16 -7.012 -14.269 4.687 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -9.121 -15.865 4.065 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -9.207 -14.897 5.523 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -10.523 -14.368 2.825 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -11.184 -14.106 4.427 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -9.961 -12.085 2.890 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -10.156 -12.003 4.630 1.00 0.00 H new ATOM 258 N THR A 17 -7.835 -13.829 1.620 1.00 0.00 N ATOM 259 CA THR A 17 -7.495 -14.049 0.248 1.00 0.00 C ATOM 260 C THR A 17 -6.553 -12.934 -0.052 1.00 0.00 C ATOM 261 O THR A 17 -6.895 -11.889 -0.601 1.00 0.00 O ATOM 262 CB THR A 17 -8.726 -14.013 -0.607 1.00 0.00 C ATOM 263 OG1 THR A 17 -9.676 -14.949 -0.120 1.00 0.00 O ATOM 264 CG2 THR A 17 -8.435 -14.431 -2.059 1.00 0.00 C ATOM 0 H THR A 17 -8.470 -13.039 1.737 1.00 0.00 H new ATOM 0 HA THR A 17 -7.046 -15.023 0.051 1.00 0.00 H new ATOM 0 HB THR A 17 -9.092 -12.987 -0.574 1.00 0.00 H new ATOM 0 HG1 THR A 17 -10.480 -14.921 -0.680 1.00 0.00 H new ATOM 0 HG21 THR A 17 -9.356 -14.390 -2.641 1.00 0.00 H new ATOM 0 HG22 THR A 17 -7.701 -13.752 -2.493 1.00 0.00 H new ATOM 0 HG23 THR A 17 -8.042 -15.448 -2.073 1.00 0.00 H new ATOM 272 N LYS A 18 -5.308 -13.088 0.433 1.00 0.00 N ATOM 273 CA LYS A 18 -4.286 -12.088 0.407 1.00 0.00 C ATOM 274 C LYS A 18 -3.871 -11.651 -0.956 1.00 0.00 C ATOM 275 O LYS A 18 -3.984 -12.457 -1.877 1.00 0.00 O ATOM 276 CB LYS A 18 -3.075 -12.580 1.216 1.00 0.00 C ATOM 277 CG LYS A 18 -3.363 -12.660 2.717 1.00 0.00 C ATOM 278 CD LYS A 18 -2.153 -13.046 3.572 1.00 0.00 C ATOM 279 CE LYS A 18 -2.173 -14.479 4.108 1.00 0.00 C ATOM 280 NZ LYS A 18 -1.930 -15.474 3.039 1.00 0.00 N ATOM 0 H LYS A 18 -4.998 -13.958 0.867 1.00 0.00 H new ATOM 0 HA LYS A 18 -4.718 -11.196 0.862 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -2.777 -13.564 0.854 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -2.233 -11.909 1.047 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -3.738 -11.694 3.055 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -4.158 -13.387 2.884 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -1.249 -12.908 2.979 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -2.089 -12.359 4.416 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -1.414 -14.587 4.883 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -3.137 -14.678 4.576 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -1.952 -16.431 3.444 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -2.668 -15.389 2.311 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -0.999 -15.301 2.609 1.00 0.00 H new ATOM 294 N PRO A 19 -3.423 -10.454 -1.199 1.00 0.00 N ATOM 295 CA PRO A 19 -3.347 -9.889 -2.515 1.00 0.00 C ATOM 296 C PRO A 19 -2.365 -10.582 -3.395 1.00 0.00 C ATOM 297 O PRO A 19 -1.387 -11.124 -2.881 1.00 0.00 O ATOM 298 CB PRO A 19 -2.977 -8.421 -2.309 1.00 0.00 C ATOM 299 CG PRO A 19 -3.350 -8.119 -0.849 1.00 0.00 C ATOM 300 CD PRO A 19 -3.072 -9.474 -0.181 1.00 0.00 C ATOM 0 HA PRO A 19 -4.299 -10.003 -3.033 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -1.915 -8.253 -2.488 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -3.523 -7.776 -2.998 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -2.741 -7.320 -0.426 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -4.392 -7.815 -0.745 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -2.027 -9.565 0.115 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -3.671 -9.604 0.720 1.00 0.00 H new ATOM 308 N SER A 20 -2.550 -10.616 -4.727 1.00 0.00 N ATOM 309 CA SER A 20 -1.727 -11.410 -5.585 1.00 0.00 C ATOM 310 C SER A 20 -0.438 -10.761 -5.957 1.00 0.00 C ATOM 311 O SER A 20 -0.188 -9.590 -5.675 1.00 0.00 O ATOM 312 CB SER A 20 -2.486 -11.866 -6.842 1.00 0.00 C ATOM 313 OG SER A 20 -1.823 -12.880 -7.582 1.00 0.00 O ATOM 0 H SER A 20 -3.276 -10.089 -5.213 1.00 0.00 H new ATOM 0 HA SER A 20 -1.468 -12.289 -4.994 1.00 0.00 H new ATOM 0 HB2 SER A 20 -3.470 -12.230 -6.547 1.00 0.00 H new ATOM 0 HB3 SER A 20 -2.646 -11.004 -7.490 1.00 0.00 H new ATOM 0 HG SER A 20 -2.363 -13.120 -8.364 1.00 0.00 H new ATOM 319 N THR A 21 0.465 -11.517 -6.606 1.00 0.00 N ATOM 320 CA THR A 21 1.842 -11.260 -6.894 1.00 0.00 C ATOM 321 C THR A 21 2.176 -9.928 -7.469 1.00 0.00 C ATOM 322 O THR A 21 2.970 -9.183 -6.897 1.00 0.00 O ATOM 323 CB THR A 21 2.408 -12.324 -7.787 1.00 0.00 C ATOM 324 OG1 THR A 21 2.074 -13.604 -7.272 1.00 0.00 O ATOM 325 CG2 THR A 21 3.944 -12.261 -7.834 1.00 0.00 C ATOM 0 H THR A 21 0.188 -12.427 -6.975 1.00 0.00 H new ATOM 0 HA THR A 21 2.300 -11.267 -5.905 1.00 0.00 H new ATOM 0 HB THR A 21 1.994 -12.162 -8.782 1.00 0.00 H new ATOM 0 HG1 THR A 21 2.443 -14.298 -7.857 1.00 0.00 H new ATOM 0 HG21 THR A 21 4.320 -13.046 -8.490 1.00 0.00 H new ATOM 0 HG22 THR A 21 4.257 -11.289 -8.215 1.00 0.00 H new ATOM 0 HG23 THR A 21 4.345 -12.404 -6.830 1.00 0.00 H new ATOM 333 N ASP A 22 1.591 -9.556 -8.622 1.00 0.00 N ATOM 334 CA ASP A 22 1.822 -8.304 -9.277 1.00 0.00 C ATOM 335 C ASP A 22 0.977 -7.209 -8.725 1.00 0.00 C ATOM 336 O ASP A 22 1.314 -6.029 -8.818 1.00 0.00 O ATOM 337 CB ASP A 22 1.518 -8.436 -10.779 1.00 0.00 C ATOM 338 CG ASP A 22 2.609 -9.269 -11.437 1.00 0.00 C ATOM 339 OD1 ASP A 22 3.800 -8.868 -11.342 1.00 0.00 O ATOM 340 OD2 ASP A 22 2.280 -10.313 -12.061 1.00 0.00 O ATOM 0 H ASP A 22 0.929 -10.152 -9.119 1.00 0.00 H new ATOM 0 HA ASP A 22 2.869 -8.050 -9.109 1.00 0.00 H new ATOM 0 HB2 ASP A 22 0.546 -8.906 -10.926 1.00 0.00 H new ATOM 0 HB3 ASP A 22 1.468 -7.450 -11.241 1.00 0.00 H new ATOM 345 N GLU A 23 -0.152 -7.577 -8.093 1.00 0.00 N ATOM 346 CA GLU A 23 -1.091 -6.685 -7.489 1.00 0.00 C ATOM 347 C GLU A 23 -0.505 -6.057 -6.271 1.00 0.00 C ATOM 348 O GLU A 23 -0.662 -4.851 -6.080 1.00 0.00 O ATOM 349 CB GLU A 23 -2.402 -7.417 -7.154 1.00 0.00 C ATOM 350 CG GLU A 23 -3.135 -7.882 -8.414 1.00 0.00 C ATOM 351 CD GLU A 23 -4.247 -8.886 -8.149 1.00 0.00 C ATOM 352 OE1 GLU A 23 -4.475 -9.269 -6.971 1.00 0.00 O ATOM 353 OE2 GLU A 23 -4.874 -9.335 -9.145 1.00 0.00 O ATOM 0 H GLU A 23 -0.424 -8.555 -7.999 1.00 0.00 H new ATOM 0 HA GLU A 23 -1.322 -5.894 -8.203 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -2.185 -8.278 -6.522 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -3.051 -6.755 -6.580 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -3.557 -7.013 -8.918 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -2.413 -8.327 -9.098 1.00 0.00 H new ATOM 360 N LEU A 24 0.229 -6.838 -5.461 1.00 0.00 N ATOM 361 CA LEU A 24 0.973 -6.484 -4.292 1.00 0.00 C ATOM 362 C LEU A 24 1.767 -5.229 -4.419 1.00 0.00 C ATOM 363 O LEU A 24 1.641 -4.309 -3.613 1.00 0.00 O ATOM 364 CB LEU A 24 1.915 -7.631 -3.889 1.00 0.00 C ATOM 365 CG LEU A 24 2.096 -7.872 -2.381 1.00 0.00 C ATOM 366 CD1 LEU A 24 2.515 -6.636 -1.568 1.00 0.00 C ATOM 367 CD2 LEU A 24 0.829 -8.500 -1.778 1.00 0.00 C ATOM 0 H LEU A 24 0.308 -7.837 -5.651 1.00 0.00 H new ATOM 0 HA LEU A 24 0.222 -6.302 -3.523 1.00 0.00 H new ATOM 0 HB2 LEU A 24 1.544 -8.552 -4.340 1.00 0.00 H new ATOM 0 HB3 LEU A 24 2.895 -7.436 -4.324 1.00 0.00 H new ATOM 0 HG LEU A 24 2.935 -8.564 -2.306 1.00 0.00 H new ATOM 0 HD11 LEU A 24 2.616 -6.909 -0.518 1.00 0.00 H new ATOM 0 HD12 LEU A 24 3.469 -6.262 -1.940 1.00 0.00 H new ATOM 0 HD13 LEU A 24 1.757 -5.859 -1.670 1.00 0.00 H new ATOM 0 HD21 LEU A 24 0.976 -8.663 -0.710 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -0.017 -7.829 -1.929 1.00 0.00 H new ATOM 0 HD23 LEU A 24 0.628 -9.454 -2.266 1.00 0.00 H new ATOM 379 N LEU A 25 2.610 -5.122 -5.460 1.00 0.00 N ATOM 380 CA LEU A 25 3.414 -3.992 -5.811 1.00 0.00 C ATOM 381 C LEU A 25 2.674 -2.708 -5.962 1.00 0.00 C ATOM 382 O LEU A 25 3.060 -1.675 -5.415 1.00 0.00 O ATOM 383 CB LEU A 25 4.114 -4.346 -7.134 1.00 0.00 C ATOM 384 CG LEU A 25 5.355 -5.240 -6.977 1.00 0.00 C ATOM 385 CD1 LEU A 25 6.528 -4.455 -6.368 1.00 0.00 C ATOM 386 CD2 LEU A 25 5.133 -6.557 -6.215 1.00 0.00 C ATOM 0 H LEU A 25 2.740 -5.895 -6.113 1.00 0.00 H new ATOM 0 HA LEU A 25 4.107 -3.811 -4.989 1.00 0.00 H new ATOM 0 HB2 LEU A 25 3.399 -4.849 -7.786 1.00 0.00 H new ATOM 0 HB3 LEU A 25 4.407 -3.423 -7.634 1.00 0.00 H new ATOM 0 HG LEU A 25 5.598 -5.544 -7.995 1.00 0.00 H new ATOM 0 HD11 LEU A 25 7.392 -5.112 -6.268 1.00 0.00 H new ATOM 0 HD12 LEU A 25 6.782 -3.617 -7.018 1.00 0.00 H new ATOM 0 HD13 LEU A 25 6.243 -4.079 -5.386 1.00 0.00 H new ATOM 0 HD21 LEU A 25 6.071 -7.109 -6.162 1.00 0.00 H new ATOM 0 HD22 LEU A 25 4.783 -6.339 -5.206 1.00 0.00 H new ATOM 0 HD23 LEU A 25 4.387 -7.157 -6.736 1.00 0.00 H new ATOM 398 N GLU A 26 1.540 -2.715 -6.686 1.00 0.00 N ATOM 399 CA GLU A 26 0.676 -1.578 -6.768 1.00 0.00 C ATOM 400 C GLU A 26 0.008 -1.292 -5.467 1.00 0.00 C ATOM 401 O GLU A 26 -0.070 -0.157 -5.001 1.00 0.00 O ATOM 402 CB GLU A 26 -0.422 -1.780 -7.825 1.00 0.00 C ATOM 403 CG GLU A 26 0.095 -2.112 -9.227 1.00 0.00 C ATOM 404 CD GLU A 26 -1.051 -2.185 -10.225 1.00 0.00 C ATOM 405 OE1 GLU A 26 -1.956 -3.045 -10.051 1.00 0.00 O ATOM 406 OE2 GLU A 26 -1.051 -1.397 -11.208 1.00 0.00 O ATOM 0 H GLU A 26 1.218 -3.521 -7.222 1.00 0.00 H new ATOM 0 HA GLU A 26 1.314 -0.739 -7.045 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -1.081 -2.583 -7.496 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -1.026 -0.874 -7.880 1.00 0.00 H new ATOM 0 HG2 GLU A 26 0.811 -1.354 -9.544 1.00 0.00 H new ATOM 0 HG3 GLU A 26 0.626 -3.063 -9.207 1.00 0.00 H new ATOM 413 N LEU A 27 -0.490 -2.355 -4.813 1.00 0.00 N ATOM 414 CA LEU A 27 -1.261 -2.351 -3.607 1.00 0.00 C ATOM 415 C LEU A 27 -0.526 -1.805 -2.431 1.00 0.00 C ATOM 416 O LEU A 27 -1.054 -0.947 -1.725 1.00 0.00 O ATOM 417 CB LEU A 27 -1.818 -3.772 -3.422 1.00 0.00 C ATOM 418 CG LEU A 27 -2.959 -4.000 -2.417 1.00 0.00 C ATOM 419 CD1 LEU A 27 -2.425 -4.256 -0.998 1.00 0.00 C ATOM 420 CD2 LEU A 27 -3.979 -2.850 -2.467 1.00 0.00 C ATOM 0 H LEU A 27 -0.339 -3.302 -5.160 1.00 0.00 H new ATOM 0 HA LEU A 27 -2.094 -1.653 -3.690 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -2.163 -4.120 -4.396 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -0.988 -4.415 -3.129 1.00 0.00 H new ATOM 0 HG LEU A 27 -3.488 -4.906 -2.711 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -3.262 -4.412 -0.317 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -1.790 -5.142 -1.002 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -1.844 -3.395 -0.667 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -4.775 -3.038 -1.746 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -3.482 -1.912 -2.222 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -4.405 -2.785 -3.468 1.00 0.00 H new ATOM 432 N TYR A 28 0.739 -2.205 -2.211 1.00 0.00 N ATOM 433 CA TYR A 28 1.675 -1.625 -1.299 1.00 0.00 C ATOM 434 C TYR A 28 1.914 -0.194 -1.634 1.00 0.00 C ATOM 435 O TYR A 28 1.698 0.668 -0.782 1.00 0.00 O ATOM 436 CB TYR A 28 2.998 -2.407 -1.249 1.00 0.00 C ATOM 437 CG TYR A 28 4.098 -1.841 -0.417 1.00 0.00 C ATOM 438 CD1 TYR A 28 4.859 -0.798 -0.891 1.00 0.00 C ATOM 439 CD2 TYR A 28 4.432 -2.373 0.806 1.00 0.00 C ATOM 440 CE1 TYR A 28 5.904 -0.271 -0.169 1.00 0.00 C ATOM 441 CE2 TYR A 28 5.507 -1.897 1.518 1.00 0.00 C ATOM 442 CZ TYR A 28 6.245 -0.843 1.034 1.00 0.00 C ATOM 443 OH TYR A 28 7.329 -0.311 1.764 1.00 0.00 O ATOM 0 H TYR A 28 1.138 -2.999 -2.713 1.00 0.00 H new ATOM 0 HA TYR A 28 1.236 -1.681 -0.303 1.00 0.00 H new ATOM 0 HB2 TYR A 28 2.782 -3.411 -0.884 1.00 0.00 H new ATOM 0 HB3 TYR A 28 3.367 -2.511 -2.269 1.00 0.00 H new ATOM 0 HD1 TYR A 28 4.629 -0.380 -1.860 1.00 0.00 H new ATOM 0 HD2 TYR A 28 3.840 -3.179 1.214 1.00 0.00 H new ATOM 0 HE1 TYR A 28 6.451 0.582 -0.543 1.00 0.00 H new ATOM 0 HE2 TYR A 28 5.773 -2.352 2.461 1.00 0.00 H new ATOM 0 HH TYR A 28 7.392 0.653 1.601 1.00 0.00 H new ATOM 453 N ALA A 29 2.354 0.132 -2.863 1.00 0.00 N ATOM 454 CA ALA A 29 2.770 1.445 -3.248 1.00 0.00 C ATOM 455 C ALA A 29 1.754 2.501 -2.974 1.00 0.00 C ATOM 456 O ALA A 29 2.055 3.542 -2.392 1.00 0.00 O ATOM 457 CB ALA A 29 3.160 1.467 -4.735 1.00 0.00 C ATOM 0 H ALA A 29 2.423 -0.548 -3.620 1.00 0.00 H new ATOM 0 HA ALA A 29 3.636 1.680 -2.629 1.00 0.00 H new ATOM 0 HB1 ALA A 29 3.474 2.473 -5.014 1.00 0.00 H new ATOM 0 HB2 ALA A 29 3.980 0.770 -4.906 1.00 0.00 H new ATOM 0 HB3 ALA A 29 2.302 1.174 -5.340 1.00 0.00 H new ATOM 463 N LEU A 30 0.483 2.259 -3.340 1.00 0.00 N ATOM 464 CA LEU A 30 -0.586 3.163 -3.046 1.00 0.00 C ATOM 465 C LEU A 30 -1.018 3.206 -1.620 1.00 0.00 C ATOM 466 O LEU A 30 -1.292 4.275 -1.079 1.00 0.00 O ATOM 467 CB LEU A 30 -1.815 2.841 -3.912 1.00 0.00 C ATOM 468 CG LEU A 30 -1.719 3.433 -5.329 1.00 0.00 C ATOM 469 CD1 LEU A 30 -1.069 2.486 -6.352 1.00 0.00 C ATOM 470 CD2 LEU A 30 -3.148 3.772 -5.787 1.00 0.00 C ATOM 0 H LEU A 30 0.192 1.423 -3.848 1.00 0.00 H new ATOM 0 HA LEU A 30 -0.173 4.146 -3.273 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -1.931 1.759 -3.982 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -2.709 3.226 -3.422 1.00 0.00 H new ATOM 0 HG LEU A 30 -1.077 4.313 -5.282 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -1.036 2.971 -7.327 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -0.055 2.245 -6.032 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -1.655 1.569 -6.423 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -3.118 4.195 -6.791 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -3.753 2.865 -5.794 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -3.588 4.496 -5.101 1.00 0.00 H new ATOM 482 N TYR A 31 -1.078 2.047 -0.938 1.00 0.00 N ATOM 483 CA TYR A 31 -1.397 1.953 0.453 1.00 0.00 C ATOM 484 C TYR A 31 -0.447 2.758 1.270 1.00 0.00 C ATOM 485 O TYR A 31 -0.814 3.657 2.025 1.00 0.00 O ATOM 486 CB TYR A 31 -1.413 0.496 0.944 1.00 0.00 C ATOM 487 CG TYR A 31 -1.692 0.398 2.405 1.00 0.00 C ATOM 488 CD1 TYR A 31 -2.689 1.134 3.001 1.00 0.00 C ATOM 489 CD2 TYR A 31 -0.841 -0.339 3.195 1.00 0.00 C ATOM 490 CE1 TYR A 31 -2.899 1.059 4.357 1.00 0.00 C ATOM 491 CE2 TYR A 31 -1.024 -0.384 4.557 1.00 0.00 C ATOM 492 CZ TYR A 31 -2.059 0.305 5.142 1.00 0.00 C ATOM 493 OH TYR A 31 -2.220 0.332 6.544 1.00 0.00 O ATOM 0 H TYR A 31 -0.897 1.142 -1.372 1.00 0.00 H new ATOM 0 HA TYR A 31 -2.402 2.356 0.577 1.00 0.00 H new ATOM 0 HB2 TYR A 31 -2.169 -0.063 0.393 1.00 0.00 H new ATOM 0 HB3 TYR A 31 -0.451 0.031 0.727 1.00 0.00 H new ATOM 0 HD1 TYR A 31 -3.313 1.777 2.398 1.00 0.00 H new ATOM 0 HD2 TYR A 31 -0.026 -0.885 2.744 1.00 0.00 H new ATOM 0 HE1 TYR A 31 -3.724 1.592 4.806 1.00 0.00 H new ATOM 0 HE2 TYR A 31 -0.351 -0.964 5.170 1.00 0.00 H new ATOM 0 HH TYR A 31 -1.553 -0.252 6.961 1.00 0.00 H new ATOM 503 N LYS A 32 0.864 2.495 1.117 1.00 0.00 N ATOM 504 CA LYS A 32 1.912 3.275 1.699 1.00 0.00 C ATOM 505 C LYS A 32 1.913 4.697 1.259 1.00 0.00 C ATOM 506 O LYS A 32 2.230 5.579 2.056 1.00 0.00 O ATOM 507 CB LYS A 32 3.276 2.601 1.477 1.00 0.00 C ATOM 508 CG LYS A 32 3.382 1.157 1.970 1.00 0.00 C ATOM 509 CD LYS A 32 2.916 0.857 3.396 1.00 0.00 C ATOM 510 CE LYS A 32 3.597 1.720 4.462 1.00 0.00 C ATOM 511 NZ LYS A 32 3.351 1.161 5.811 1.00 0.00 N ATOM 0 H LYS A 32 1.207 1.708 0.566 1.00 0.00 H new ATOM 0 HA LYS A 32 1.716 3.311 2.771 1.00 0.00 H new ATOM 0 HB2 LYS A 32 3.503 2.621 0.411 1.00 0.00 H new ATOM 0 HB3 LYS A 32 4.041 3.195 1.977 1.00 0.00 H new ATOM 0 HG2 LYS A 32 2.808 0.527 1.290 1.00 0.00 H new ATOM 0 HG3 LYS A 32 4.424 0.849 1.886 1.00 0.00 H new ATOM 0 HD2 LYS A 32 1.838 1.006 3.455 1.00 0.00 H new ATOM 0 HD3 LYS A 32 3.105 -0.194 3.617 1.00 0.00 H new ATOM 0 HE2 LYS A 32 4.669 1.767 4.271 1.00 0.00 H new ATOM 0 HE3 LYS A 32 3.218 2.741 4.409 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 3.819 1.756 6.524 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 2.328 1.138 5.996 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 3.734 0.195 5.862 1.00 0.00 H new ATOM 525 N GLN A 33 1.485 5.025 0.026 1.00 0.00 N ATOM 526 CA GLN A 33 1.366 6.390 -0.385 1.00 0.00 C ATOM 527 C GLN A 33 0.466 7.232 0.452 1.00 0.00 C ATOM 528 O GLN A 33 0.926 8.212 1.036 1.00 0.00 O ATOM 529 CB GLN A 33 0.856 6.557 -1.826 1.00 0.00 C ATOM 530 CG GLN A 33 1.961 6.642 -2.882 1.00 0.00 C ATOM 531 CD GLN A 33 1.318 6.549 -4.259 1.00 0.00 C ATOM 532 OE1 GLN A 33 0.674 7.481 -4.739 1.00 0.00 O ATOM 533 NE2 GLN A 33 1.455 5.362 -4.908 1.00 0.00 N ATOM 0 H GLN A 33 1.221 4.344 -0.687 1.00 0.00 H new ATOM 0 HA GLN A 33 2.396 6.729 -0.279 1.00 0.00 H new ATOM 0 HB2 GLN A 33 0.204 5.718 -2.067 1.00 0.00 H new ATOM 0 HB3 GLN A 33 0.248 7.460 -1.881 1.00 0.00 H new ATOM 0 HG2 GLN A 33 2.510 7.578 -2.782 1.00 0.00 H new ATOM 0 HG3 GLN A 33 2.680 5.835 -2.744 1.00 0.00 H new ATOM 0 HE21 GLN A 33 1.995 4.608 -4.484 1.00 0.00 H new ATOM 0 HE22 GLN A 33 1.017 5.225 -5.819 1.00 0.00 H new ATOM 542 N ALA A 34 -0.837 6.914 0.543 1.00 0.00 N ATOM 543 CA ALA A 34 -1.719 7.785 1.255 1.00 0.00 C ATOM 544 C ALA A 34 -1.815 7.450 2.704 1.00 0.00 C ATOM 545 O ALA A 34 -2.318 8.256 3.485 1.00 0.00 O ATOM 546 CB ALA A 34 -3.091 7.974 0.588 1.00 0.00 C ATOM 0 H ALA A 34 -1.269 6.083 0.139 1.00 0.00 H new ATOM 0 HA ALA A 34 -1.250 8.767 1.199 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -3.699 8.648 1.191 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -2.957 8.399 -0.407 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -3.592 7.009 0.506 1.00 0.00 H new ATOM 552 N THR A 35 -1.269 6.307 3.154 1.00 0.00 N ATOM 553 CA THR A 35 -1.124 6.055 4.553 1.00 0.00 C ATOM 554 C THR A 35 -0.061 6.913 5.148 1.00 0.00 C ATOM 555 O THR A 35 -0.292 7.621 6.126 1.00 0.00 O ATOM 556 CB THR A 35 -0.826 4.626 4.898 1.00 0.00 C ATOM 557 OG1 THR A 35 -1.904 3.823 4.438 1.00 0.00 O ATOM 558 CG2 THR A 35 -0.796 4.436 6.424 1.00 0.00 C ATOM 0 H THR A 35 -0.929 5.559 2.550 1.00 0.00 H new ATOM 0 HA THR A 35 -2.100 6.296 4.974 1.00 0.00 H new ATOM 0 HB THR A 35 0.131 4.357 4.451 1.00 0.00 H new ATOM 0 HG1 THR A 35 -1.744 2.888 4.685 1.00 0.00 H new ATOM 0 HG21 THR A 35 -0.579 3.394 6.657 1.00 0.00 H new ATOM 0 HG22 THR A 35 -0.023 5.073 6.855 1.00 0.00 H new ATOM 0 HG23 THR A 35 -1.765 4.707 6.843 1.00 0.00 H new ATOM 566 N VAL A 36 1.157 6.924 4.578 1.00 0.00 N ATOM 567 CA VAL A 36 2.227 7.697 5.128 1.00 0.00 C ATOM 568 C VAL A 36 2.183 9.105 4.644 1.00 0.00 C ATOM 569 O VAL A 36 2.117 10.046 5.434 1.00 0.00 O ATOM 570 CB VAL A 36 3.569 7.070 4.892 1.00 0.00 C ATOM 571 CG1 VAL A 36 4.484 7.604 6.007 1.00 0.00 C ATOM 572 CG2 VAL A 36 3.528 5.537 5.000 1.00 0.00 C ATOM 0 H VAL A 36 1.401 6.399 3.738 1.00 0.00 H new ATOM 0 HA VAL A 36 2.081 7.714 6.208 1.00 0.00 H new ATOM 0 HB VAL A 36 3.913 7.315 3.887 1.00 0.00 H new ATOM 0 HG11 VAL A 36 5.483 7.183 5.891 1.00 0.00 H new ATOM 0 HG12 VAL A 36 4.539 8.691 5.943 1.00 0.00 H new ATOM 0 HG13 VAL A 36 4.080 7.318 6.978 1.00 0.00 H new ATOM 0 HG21 VAL A 36 4.524 5.133 4.821 1.00 0.00 H new ATOM 0 HG22 VAL A 36 3.195 5.251 5.998 1.00 0.00 H new ATOM 0 HG23 VAL A 36 2.836 5.138 4.258 1.00 0.00 H new ATOM 582 N GLY A 37 2.153 9.312 3.316 1.00 0.00 N ATOM 583 CA GLY A 37 1.884 10.573 2.700 1.00 0.00 C ATOM 584 C GLY A 37 2.969 11.093 1.821 1.00 0.00 C ATOM 585 O GLY A 37 2.707 11.933 0.960 1.00 0.00 O ATOM 0 H GLY A 37 2.324 8.566 2.641 1.00 0.00 H new ATOM 0 HA2 GLY A 37 0.972 10.484 2.110 1.00 0.00 H new ATOM 0 HA3 GLY A 37 1.688 11.307 3.482 1.00 0.00 H new ATOM 589 N ASP A 38 4.205 10.595 2.004 1.00 0.00 N ATOM 590 CA ASP A 38 5.305 10.757 1.104 1.00 0.00 C ATOM 591 C ASP A 38 5.914 9.399 1.020 1.00 0.00 C ATOM 592 O ASP A 38 5.532 8.501 1.767 1.00 0.00 O ATOM 593 CB ASP A 38 6.381 11.696 1.676 1.00 0.00 C ATOM 594 CG ASP A 38 5.952 13.156 1.683 1.00 0.00 C ATOM 595 OD1 ASP A 38 5.730 13.753 0.596 1.00 0.00 O ATOM 596 OD2 ASP A 38 5.906 13.768 2.783 1.00 0.00 O ATOM 0 H ASP A 38 4.450 10.047 2.829 1.00 0.00 H new ATOM 0 HA ASP A 38 4.965 11.173 0.156 1.00 0.00 H new ATOM 0 HB2 ASP A 38 6.620 11.388 2.694 1.00 0.00 H new ATOM 0 HB3 ASP A 38 7.294 11.594 1.089 1.00 0.00 H new ATOM 601 N ASN A 39 6.935 9.196 0.169 1.00 0.00 N ATOM 602 CA ASN A 39 7.826 8.083 0.293 1.00 0.00 C ATOM 603 C ASN A 39 8.667 8.133 1.522 1.00 0.00 C ATOM 604 O ASN A 39 9.683 8.823 1.595 1.00 0.00 O ATOM 605 CB ASN A 39 8.693 7.887 -0.962 1.00 0.00 C ATOM 606 CG ASN A 39 9.576 9.080 -1.295 1.00 0.00 C ATOM 607 OD1 ASN A 39 9.210 10.248 -1.178 1.00 0.00 O ATOM 608 ND2 ASN A 39 10.819 8.788 -1.765 1.00 0.00 N ATOM 0 H ASN A 39 7.146 9.812 -0.616 1.00 0.00 H new ATOM 0 HA ASN A 39 7.181 7.210 0.392 1.00 0.00 H new ATOM 0 HB2 ASN A 39 9.323 7.009 -0.822 1.00 0.00 H new ATOM 0 HB3 ASN A 39 8.043 7.681 -1.812 1.00 0.00 H new ATOM 0 HD21 ASN A 39 11.456 9.541 -2.024 1.00 0.00 H new ATOM 0 HD22 ASN A 39 11.114 7.816 -1.858 1.00 0.00 H new ATOM 615 N ASP A 40 8.268 7.420 2.591 1.00 0.00 N ATOM 616 CA ASP A 40 8.827 7.616 3.892 1.00 0.00 C ATOM 617 C ASP A 40 10.081 6.850 4.146 1.00 0.00 C ATOM 618 O ASP A 40 11.143 7.437 4.344 1.00 0.00 O ATOM 619 CB ASP A 40 7.723 7.349 4.929 1.00 0.00 C ATOM 620 CG ASP A 40 8.037 7.948 6.292 1.00 0.00 C ATOM 621 OD1 ASP A 40 9.068 7.557 6.900 1.00 0.00 O ATOM 622 OD2 ASP A 40 7.255 8.799 6.794 1.00 0.00 O ATOM 0 H ASP A 40 7.548 6.698 2.552 1.00 0.00 H new ATOM 0 HA ASP A 40 9.163 8.650 3.974 1.00 0.00 H new ATOM 0 HB2 ASP A 40 6.782 7.760 4.565 1.00 0.00 H new ATOM 0 HB3 ASP A 40 7.582 6.273 5.034 1.00 0.00 H new ATOM 627 N LYS A 41 10.033 5.507 4.184 1.00 0.00 N ATOM 628 CA LYS A 41 11.080 4.697 4.726 1.00 0.00 C ATOM 629 C LYS A 41 12.186 4.377 3.780 1.00 0.00 C ATOM 630 O LYS A 41 12.232 3.279 3.226 1.00 0.00 O ATOM 631 CB LYS A 41 10.491 3.355 5.194 1.00 0.00 C ATOM 632 CG LYS A 41 9.336 3.465 6.191 1.00 0.00 C ATOM 633 CD LYS A 41 8.830 2.094 6.641 1.00 0.00 C ATOM 634 CE LYS A 41 8.255 1.242 5.507 1.00 0.00 C ATOM 635 NZ LYS A 41 7.989 -0.136 5.976 1.00 0.00 N ATOM 0 H LYS A 41 9.243 4.968 3.828 1.00 0.00 H new ATOM 0 HA LYS A 41 11.505 5.291 5.535 1.00 0.00 H new ATOM 0 HB2 LYS A 41 10.145 2.804 4.320 1.00 0.00 H new ATOM 0 HB3 LYS A 41 11.287 2.765 5.648 1.00 0.00 H new ATOM 0 HG2 LYS A 41 9.663 4.034 7.062 1.00 0.00 H new ATOM 0 HG3 LYS A 41 8.517 4.021 5.736 1.00 0.00 H new ATOM 0 HD2 LYS A 41 9.650 1.551 7.110 1.00 0.00 H new ATOM 0 HD3 LYS A 41 8.063 2.233 7.403 1.00 0.00 H new ATOM 0 HE2 LYS A 41 7.333 1.691 5.139 1.00 0.00 H new ATOM 0 HE3 LYS A 41 8.954 1.219 4.671 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 7.599 -0.700 5.194 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 8.876 -0.568 6.306 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 7.305 -0.110 6.759 1.00 0.00 H new ATOM 649 N GLU A 42 13.164 5.277 3.579 1.00 0.00 N ATOM 650 CA GLU A 42 14.215 5.132 2.621 1.00 0.00 C ATOM 651 C GLU A 42 15.304 4.221 3.074 1.00 0.00 C ATOM 652 O GLU A 42 16.502 4.486 2.983 1.00 0.00 O ATOM 653 CB GLU A 42 14.697 6.538 2.227 1.00 0.00 C ATOM 654 CG GLU A 42 15.533 6.627 0.948 1.00 0.00 C ATOM 655 CD GLU A 42 15.944 8.045 0.581 1.00 0.00 C ATOM 656 OE1 GLU A 42 15.554 9.019 1.277 1.00 0.00 O ATOM 657 OE2 GLU A 42 16.703 8.212 -0.411 1.00 0.00 O ATOM 0 H GLU A 42 13.225 6.146 4.109 1.00 0.00 H new ATOM 0 HA GLU A 42 13.832 4.631 1.732 1.00 0.00 H new ATOM 0 HB2 GLU A 42 13.824 7.181 2.112 1.00 0.00 H new ATOM 0 HB3 GLU A 42 15.285 6.943 3.051 1.00 0.00 H new ATOM 0 HG2 GLU A 42 16.429 6.018 1.068 1.00 0.00 H new ATOM 0 HG3 GLU A 42 14.964 6.198 0.123 1.00 0.00 H new ATOM 664 N LYS A 43 14.893 3.042 3.573 1.00 0.00 N ATOM 665 CA LYS A 43 15.692 1.933 3.994 1.00 0.00 C ATOM 666 C LYS A 43 14.868 0.692 4.023 1.00 0.00 C ATOM 667 O LYS A 43 14.310 0.345 5.062 1.00 0.00 O ATOM 668 CB LYS A 43 16.421 2.178 5.326 1.00 0.00 C ATOM 669 CG LYS A 43 15.614 2.825 6.453 1.00 0.00 C ATOM 670 CD LYS A 43 16.403 2.866 7.764 1.00 0.00 C ATOM 671 CE LYS A 43 15.677 3.584 8.904 1.00 0.00 C ATOM 672 NZ LYS A 43 16.379 3.403 10.194 1.00 0.00 N ATOM 0 H LYS A 43 13.899 2.848 3.693 1.00 0.00 H new ATOM 0 HA LYS A 43 16.486 1.806 3.258 1.00 0.00 H new ATOM 0 HB2 LYS A 43 16.798 1.221 5.686 1.00 0.00 H new ATOM 0 HB3 LYS A 43 17.288 2.808 5.126 1.00 0.00 H new ATOM 0 HG2 LYS A 43 15.335 3.838 6.165 1.00 0.00 H new ATOM 0 HG3 LYS A 43 14.688 2.269 6.603 1.00 0.00 H new ATOM 0 HD2 LYS A 43 16.626 1.845 8.074 1.00 0.00 H new ATOM 0 HD3 LYS A 43 17.358 3.361 7.586 1.00 0.00 H new ATOM 0 HE2 LYS A 43 15.601 4.647 8.676 1.00 0.00 H new ATOM 0 HE3 LYS A 43 14.659 3.202 8.986 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 15.860 3.902 10.945 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 16.429 2.390 10.423 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 17.342 3.790 10.123 1.00 0.00 H new ATOM 686 N PRO A 44 14.725 -0.049 2.965 1.00 0.00 N ATOM 687 CA PRO A 44 14.235 -1.396 3.008 1.00 0.00 C ATOM 688 C PRO A 44 15.252 -2.332 3.564 1.00 0.00 C ATOM 689 O PRO A 44 16.315 -1.869 3.974 1.00 0.00 O ATOM 690 CB PRO A 44 13.831 -1.695 1.565 1.00 0.00 C ATOM 691 CG PRO A 44 14.718 -0.785 0.700 1.00 0.00 C ATOM 692 CD PRO A 44 14.911 0.442 1.607 1.00 0.00 C ATOM 0 HA PRO A 44 13.386 -1.525 3.679 1.00 0.00 H new ATOM 0 HB2 PRO A 44 13.989 -2.746 1.322 1.00 0.00 H new ATOM 0 HB3 PRO A 44 12.774 -1.486 1.401 1.00 0.00 H new ATOM 0 HG2 PRO A 44 15.667 -1.260 0.451 1.00 0.00 H new ATOM 0 HG3 PRO A 44 14.236 -0.523 -0.242 1.00 0.00 H new ATOM 0 HD2 PRO A 44 15.903 0.874 1.478 1.00 0.00 H new ATOM 0 HD3 PRO A 44 14.190 1.224 1.369 1.00 0.00 H new ATOM 700 N GLY A 45 15.003 -3.651 3.646 1.00 0.00 N ATOM 701 CA GLY A 45 15.765 -4.506 4.501 1.00 0.00 C ATOM 702 C GLY A 45 17.147 -4.848 4.060 1.00 0.00 C ATOM 703 O GLY A 45 17.680 -4.354 3.069 1.00 0.00 O ATOM 0 H GLY A 45 14.271 -4.126 3.118 1.00 0.00 H new ATOM 0 HA2 GLY A 45 15.830 -4.034 5.481 1.00 0.00 H new ATOM 0 HA3 GLY A 45 15.211 -5.436 4.631 1.00 0.00 H new ATOM 707 N ILE A 46 17.805 -5.734 4.829 1.00 0.00 N ATOM 708 CA ILE A 46 19.221 -5.932 4.776 1.00 0.00 C ATOM 709 C ILE A 46 19.549 -7.056 3.855 1.00 0.00 C ATOM 710 O ILE A 46 20.548 -7.056 3.136 1.00 0.00 O ATOM 711 CB ILE A 46 19.866 -6.087 6.122 1.00 0.00 C ATOM 712 CG1 ILE A 46 19.705 -7.460 6.797 1.00 0.00 C ATOM 713 CG2 ILE A 46 19.326 -4.973 7.034 1.00 0.00 C ATOM 714 CD1 ILE A 46 20.441 -7.595 8.130 1.00 0.00 C ATOM 0 H ILE A 46 17.337 -6.332 5.510 1.00 0.00 H new ATOM 0 HA ILE A 46 19.654 -5.016 4.374 1.00 0.00 H new ATOM 0 HB ILE A 46 20.941 -6.008 5.958 1.00 0.00 H new ATOM 0 HG12 ILE A 46 18.644 -7.650 6.960 1.00 0.00 H new ATOM 0 HG13 ILE A 46 20.066 -8.231 6.116 1.00 0.00 H new ATOM 0 HG21 ILE A 46 19.778 -5.060 8.022 1.00 0.00 H new ATOM 0 HG22 ILE A 46 19.573 -4.001 6.607 1.00 0.00 H new ATOM 0 HG23 ILE A 46 18.244 -5.067 7.121 1.00 0.00 H new ATOM 0 HD11 ILE A 46 20.275 -8.592 8.538 1.00 0.00 H new ATOM 0 HD12 ILE A 46 21.509 -7.440 7.974 1.00 0.00 H new ATOM 0 HD13 ILE A 46 20.065 -6.849 8.830 1.00 0.00 H new ATOM 726 N PHE A 47 18.671 -8.074 3.831 1.00 0.00 N ATOM 727 CA PHE A 47 18.684 -9.138 2.875 1.00 0.00 C ATOM 728 C PHE A 47 17.430 -9.112 2.073 1.00 0.00 C ATOM 729 O PHE A 47 17.168 -10.021 1.285 1.00 0.00 O ATOM 730 CB PHE A 47 18.872 -10.500 3.565 1.00 0.00 C ATOM 731 CG PHE A 47 18.070 -10.649 4.811 1.00 0.00 C ATOM 732 CD1 PHE A 47 16.703 -10.802 4.775 1.00 0.00 C ATOM 733 CD2 PHE A 47 18.701 -10.595 6.032 1.00 0.00 C ATOM 734 CE1 PHE A 47 15.973 -10.856 5.939 1.00 0.00 C ATOM 735 CE2 PHE A 47 17.979 -10.626 7.202 1.00 0.00 C ATOM 736 CZ PHE A 47 16.609 -10.740 7.151 1.00 0.00 C ATOM 0 H PHE A 47 17.915 -8.160 4.511 1.00 0.00 H new ATOM 0 HA PHE A 47 19.531 -8.994 2.204 1.00 0.00 H new ATOM 0 HB2 PHE A 47 18.598 -11.292 2.869 1.00 0.00 H new ATOM 0 HB3 PHE A 47 19.927 -10.636 3.803 1.00 0.00 H new ATOM 0 HD1 PHE A 47 16.199 -10.880 3.823 1.00 0.00 H new ATOM 0 HD2 PHE A 47 19.778 -10.527 6.072 1.00 0.00 H new ATOM 0 HE1 PHE A 47 14.902 -10.989 5.900 1.00 0.00 H new ATOM 0 HE2 PHE A 47 18.484 -10.561 8.154 1.00 0.00 H new ATOM 0 HZ PHE A 47 16.033 -10.738 8.065 1.00 0.00 H new ATOM 746 N ASN A 48 16.575 -8.093 2.276 1.00 0.00 N ATOM 747 CA ASN A 48 15.216 -8.126 1.833 1.00 0.00 C ATOM 748 C ASN A 48 15.050 -7.789 0.391 1.00 0.00 C ATOM 749 O ASN A 48 15.072 -6.621 0.005 1.00 0.00 O ATOM 750 CB ASN A 48 14.281 -7.262 2.695 1.00 0.00 C ATOM 751 CG ASN A 48 12.891 -7.879 2.669 1.00 0.00 C ATOM 752 OD1 ASN A 48 12.248 -7.936 1.622 1.00 0.00 O ATOM 753 ND2 ASN A 48 12.413 -8.413 3.825 1.00 0.00 N ATOM 0 H ASN A 48 16.833 -7.231 2.756 1.00 0.00 H new ATOM 0 HA ASN A 48 14.919 -9.167 1.958 1.00 0.00 H new ATOM 0 HB2 ASN A 48 14.652 -7.208 3.718 1.00 0.00 H new ATOM 0 HB3 ASN A 48 14.249 -6.242 2.313 1.00 0.00 H new ATOM 0 HD21 ASN A 48 11.503 -8.873 3.836 1.00 0.00 H new ATOM 0 HD22 ASN A 48 12.965 -8.353 4.681 1.00 0.00 H new ATOM 760 N MET A 49 14.820 -8.793 -0.473 1.00 0.00 N ATOM 761 CA MET A 49 14.645 -8.579 -1.876 1.00 0.00 C ATOM 762 C MET A 49 13.315 -7.980 -2.175 1.00 0.00 C ATOM 763 O MET A 49 13.193 -7.084 -3.010 1.00 0.00 O ATOM 764 CB MET A 49 14.806 -9.890 -2.665 1.00 0.00 C ATOM 765 CG MET A 49 16.181 -10.536 -2.478 1.00 0.00 C ATOM 766 SD MET A 49 16.561 -11.857 -3.667 1.00 0.00 S ATOM 767 CE MET A 49 15.194 -12.966 -3.218 1.00 0.00 C ATOM 0 H MET A 49 14.754 -9.771 -0.193 1.00 0.00 H new ATOM 0 HA MET A 49 15.421 -7.880 -2.188 1.00 0.00 H new ATOM 0 HB2 MET A 49 14.035 -10.593 -2.351 1.00 0.00 H new ATOM 0 HB3 MET A 49 14.645 -9.692 -3.725 1.00 0.00 H new ATOM 0 HG2 MET A 49 16.945 -9.763 -2.557 1.00 0.00 H new ATOM 0 HG3 MET A 49 16.243 -10.944 -1.469 1.00 0.00 H new ATOM 0 HE1 MET A 49 15.370 -13.952 -3.647 1.00 0.00 H new ATOM 0 HE2 MET A 49 15.134 -13.048 -2.133 1.00 0.00 H new ATOM 0 HE3 MET A 49 14.257 -12.564 -3.604 1.00 0.00 H new ATOM 777 N LYS A 50 12.264 -8.445 -1.477 1.00 0.00 N ATOM 778 CA LYS A 50 10.903 -8.060 -1.690 1.00 0.00 C ATOM 779 C LYS A 50 10.620 -6.645 -1.320 1.00 0.00 C ATOM 780 O LYS A 50 10.084 -5.900 -2.138 1.00 0.00 O ATOM 781 CB LYS A 50 9.931 -9.041 -1.013 1.00 0.00 C ATOM 782 CG LYS A 50 9.604 -10.297 -1.824 1.00 0.00 C ATOM 783 CD LYS A 50 10.741 -11.316 -1.939 1.00 0.00 C ATOM 784 CE LYS A 50 10.317 -12.667 -2.520 1.00 0.00 C ATOM 785 NZ LYS A 50 10.061 -12.592 -3.977 1.00 0.00 N ATOM 0 H LYS A 50 12.369 -9.125 -0.724 1.00 0.00 H new ATOM 0 HA LYS A 50 10.737 -8.115 -2.766 1.00 0.00 H new ATOM 0 HB2 LYS A 50 10.355 -9.346 -0.056 1.00 0.00 H new ATOM 0 HB3 LYS A 50 9.001 -8.515 -0.797 1.00 0.00 H new ATOM 0 HG2 LYS A 50 8.743 -10.788 -1.371 1.00 0.00 H new ATOM 0 HG3 LYS A 50 9.307 -9.994 -2.828 1.00 0.00 H new ATOM 0 HD2 LYS A 50 11.529 -10.896 -2.564 1.00 0.00 H new ATOM 0 HD3 LYS A 50 11.171 -11.477 -0.950 1.00 0.00 H new ATOM 0 HE2 LYS A 50 11.096 -13.405 -2.327 1.00 0.00 H new ATOM 0 HE3 LYS A 50 9.417 -13.013 -2.012 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 9.777 -13.529 -4.328 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 9.300 -11.908 -4.161 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 10.927 -12.287 -4.466 1.00 0.00 H new ATOM 799 N ASP A 51 10.992 -6.184 -0.113 1.00 0.00 N ATOM 800 CA ASP A 51 10.851 -4.825 0.310 1.00 0.00 C ATOM 801 C ASP A 51 11.606 -3.854 -0.530 1.00 0.00 C ATOM 802 O ASP A 51 11.119 -2.754 -0.786 1.00 0.00 O ATOM 803 CB ASP A 51 11.238 -4.609 1.783 1.00 0.00 C ATOM 804 CG ASP A 51 10.089 -5.031 2.689 1.00 0.00 C ATOM 805 OD1 ASP A 51 9.056 -4.311 2.717 1.00 0.00 O ATOM 806 OD2 ASP A 51 10.213 -6.068 3.394 1.00 0.00 O ATOM 0 H ASP A 51 11.409 -6.784 0.599 1.00 0.00 H new ATOM 0 HA ASP A 51 9.786 -4.629 0.188 1.00 0.00 H new ATOM 0 HB2 ASP A 51 12.131 -5.186 2.022 1.00 0.00 H new ATOM 0 HB3 ASP A 51 11.481 -3.560 1.954 1.00 0.00 H new ATOM 811 N ARG A 52 12.797 -4.206 -1.047 1.00 0.00 N ATOM 812 CA ARG A 52 13.493 -3.402 -2.003 1.00 0.00 C ATOM 813 C ARG A 52 12.730 -3.113 -3.250 1.00 0.00 C ATOM 814 O ARG A 52 12.694 -1.966 -3.694 1.00 0.00 O ATOM 815 CB ARG A 52 14.856 -4.014 -2.369 1.00 0.00 C ATOM 816 CG ARG A 52 15.916 -3.899 -1.272 1.00 0.00 C ATOM 817 CD ARG A 52 17.138 -4.752 -1.617 1.00 0.00 C ATOM 818 NE ARG A 52 18.133 -4.637 -0.514 1.00 0.00 N ATOM 819 CZ ARG A 52 19.008 -5.641 -0.211 1.00 0.00 C ATOM 820 NH1 ARG A 52 19.046 -6.819 -0.899 1.00 0.00 N ATOM 821 NH2 ARG A 52 19.912 -5.485 0.800 1.00 0.00 N ATOM 0 H ARG A 52 13.286 -5.065 -0.796 1.00 0.00 H new ATOM 0 HA ARG A 52 13.633 -2.447 -1.497 1.00 0.00 H new ATOM 0 HB2 ARG A 52 14.714 -5.067 -2.611 1.00 0.00 H new ATOM 0 HB3 ARG A 52 15.229 -3.527 -3.270 1.00 0.00 H new ATOM 0 HG2 ARG A 52 16.214 -2.857 -1.154 1.00 0.00 H new ATOM 0 HG3 ARG A 52 15.498 -4.221 -0.318 1.00 0.00 H new ATOM 0 HD2 ARG A 52 16.845 -5.793 -1.753 1.00 0.00 H new ATOM 0 HD3 ARG A 52 17.577 -4.419 -2.557 1.00 0.00 H new ATOM 0 HE ARG A 52 18.162 -3.778 0.035 1.00 0.00 H new ATOM 0 HH11 ARG A 52 18.403 -6.977 -1.675 1.00 0.00 H new ATOM 0 HH12 ARG A 52 19.717 -7.541 -0.637 1.00 0.00 H new ATOM 0 HH21 ARG A 52 19.936 -4.616 1.333 1.00 0.00 H new ATOM 0 HH22 ARG A 52 20.563 -6.238 1.022 1.00 0.00 H new ATOM 835 N TYR A 53 12.056 -4.103 -3.861 1.00 0.00 N ATOM 836 CA TYR A 53 11.202 -3.893 -4.989 1.00 0.00 C ATOM 837 C TYR A 53 10.026 -3.042 -4.651 1.00 0.00 C ATOM 838 O TYR A 53 9.730 -2.051 -5.317 1.00 0.00 O ATOM 839 CB TYR A 53 10.651 -5.202 -5.578 1.00 0.00 C ATOM 840 CG TYR A 53 11.696 -6.149 -6.058 1.00 0.00 C ATOM 841 CD1 TYR A 53 12.595 -5.808 -7.040 1.00 0.00 C ATOM 842 CD2 TYR A 53 11.709 -7.433 -5.566 1.00 0.00 C ATOM 843 CE1 TYR A 53 13.500 -6.728 -7.517 1.00 0.00 C ATOM 844 CE2 TYR A 53 12.627 -8.354 -6.013 1.00 0.00 C ATOM 845 CZ TYR A 53 13.518 -8.001 -7.000 1.00 0.00 C ATOM 846 OH TYR A 53 14.433 -8.973 -7.457 1.00 0.00 O ATOM 0 H TYR A 53 12.106 -5.077 -3.563 1.00 0.00 H new ATOM 0 HA TYR A 53 11.840 -3.398 -5.722 1.00 0.00 H new ATOM 0 HB2 TYR A 53 10.046 -5.701 -4.821 1.00 0.00 H new ATOM 0 HB3 TYR A 53 9.987 -4.961 -6.408 1.00 0.00 H new ATOM 0 HD1 TYR A 53 12.591 -4.806 -7.442 1.00 0.00 H new ATOM 0 HD2 TYR A 53 10.987 -7.723 -4.817 1.00 0.00 H new ATOM 0 HE1 TYR A 53 14.195 -6.450 -8.296 1.00 0.00 H new ATOM 0 HE2 TYR A 53 12.648 -9.348 -5.592 1.00 0.00 H new ATOM 0 HH TYR A 53 14.291 -9.811 -6.969 1.00 0.00 H new ATOM 856 N LYS A 54 9.322 -3.388 -3.558 1.00 0.00 N ATOM 857 CA LYS A 54 8.164 -2.702 -3.077 1.00 0.00 C ATOM 858 C LYS A 54 8.383 -1.252 -2.811 1.00 0.00 C ATOM 859 O LYS A 54 7.583 -0.403 -3.198 1.00 0.00 O ATOM 860 CB LYS A 54 7.624 -3.382 -1.806 1.00 0.00 C ATOM 861 CG LYS A 54 7.039 -4.776 -2.041 1.00 0.00 C ATOM 862 CD LYS A 54 6.910 -5.569 -0.738 1.00 0.00 C ATOM 863 CE LYS A 54 6.376 -6.991 -0.927 1.00 0.00 C ATOM 864 NZ LYS A 54 6.363 -7.738 0.351 1.00 0.00 N ATOM 0 H LYS A 54 9.575 -4.189 -2.980 1.00 0.00 H new ATOM 0 HA LYS A 54 7.432 -2.764 -3.883 1.00 0.00 H new ATOM 0 HB2 LYS A 54 8.431 -3.457 -1.077 1.00 0.00 H new ATOM 0 HB3 LYS A 54 6.855 -2.747 -1.366 1.00 0.00 H new ATOM 0 HG2 LYS A 54 6.059 -4.684 -2.508 1.00 0.00 H new ATOM 0 HG3 LYS A 54 7.674 -5.323 -2.738 1.00 0.00 H new ATOM 0 HD2 LYS A 54 7.887 -5.619 -0.257 1.00 0.00 H new ATOM 0 HD3 LYS A 54 6.248 -5.030 -0.060 1.00 0.00 H new ATOM 0 HE2 LYS A 54 5.367 -6.951 -1.337 1.00 0.00 H new ATOM 0 HE3 LYS A 54 6.994 -7.520 -1.653 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 5.996 -8.697 0.189 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 7.330 -7.797 0.729 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 5.754 -7.245 1.035 1.00 0.00 H new ATOM 878 N TRP A 55 9.519 -0.904 -2.179 1.00 0.00 N ATOM 879 CA TRP A 55 9.892 0.444 -1.885 1.00 0.00 C ATOM 880 C TRP A 55 10.220 1.253 -3.093 1.00 0.00 C ATOM 881 O TRP A 55 9.861 2.426 -3.184 1.00 0.00 O ATOM 882 CB TRP A 55 11.037 0.483 -0.858 1.00 0.00 C ATOM 883 CG TRP A 55 11.003 1.761 -0.055 1.00 0.00 C ATOM 884 CD1 TRP A 55 10.185 2.050 0.998 1.00 0.00 C ATOM 885 CD2 TRP A 55 11.619 3.002 -0.444 1.00 0.00 C ATOM 886 NE1 TRP A 55 10.142 3.404 1.202 1.00 0.00 N ATOM 887 CE2 TRP A 55 11.052 3.999 0.360 1.00 0.00 C ATOM 888 CE3 TRP A 55 12.536 3.311 -1.412 1.00 0.00 C ATOM 889 CZ2 TRP A 55 11.424 5.307 0.209 1.00 0.00 C ATOM 890 CZ3 TRP A 55 12.899 4.631 -1.546 1.00 0.00 C ATOM 891 CH2 TRP A 55 12.361 5.613 -0.749 1.00 0.00 C ATOM 0 H TRP A 55 10.204 -1.589 -1.861 1.00 0.00 H new ATOM 0 HA TRP A 55 9.011 0.914 -1.448 1.00 0.00 H new ATOM 0 HB2 TRP A 55 10.958 -0.373 -0.188 1.00 0.00 H new ATOM 0 HB3 TRP A 55 11.994 0.398 -1.372 1.00 0.00 H new ATOM 0 HD1 TRP A 55 9.650 1.318 1.585 1.00 0.00 H new ATOM 0 HE1 TRP A 55 9.538 3.888 1.866 1.00 0.00 H new ATOM 0 HE3 TRP A 55 12.959 2.547 -2.047 1.00 0.00 H new ATOM 0 HZ2 TRP A 55 10.992 6.080 0.827 1.00 0.00 H new ATOM 0 HZ3 TRP A 55 13.626 4.903 -2.297 1.00 0.00 H new ATOM 0 HH2 TRP A 55 12.678 6.637 -0.877 1.00 0.00 H new ATOM 902 N GLU A 56 10.861 0.670 -4.121 1.00 0.00 N ATOM 903 CA GLU A 56 11.180 1.367 -5.328 1.00 0.00 C ATOM 904 C GLU A 56 9.973 1.637 -6.160 1.00 0.00 C ATOM 905 O GLU A 56 9.878 2.635 -6.871 1.00 0.00 O ATOM 906 CB GLU A 56 12.296 0.663 -6.120 1.00 0.00 C ATOM 907 CG GLU A 56 12.787 1.454 -7.334 1.00 0.00 C ATOM 908 CD GLU A 56 14.201 1.101 -7.772 1.00 0.00 C ATOM 909 OE1 GLU A 56 15.162 1.692 -7.212 1.00 0.00 O ATOM 910 OE2 GLU A 56 14.374 0.264 -8.698 1.00 0.00 O ATOM 0 H GLU A 56 11.164 -0.304 -4.114 1.00 0.00 H new ATOM 0 HA GLU A 56 11.572 2.341 -5.036 1.00 0.00 H new ATOM 0 HB2 GLU A 56 13.139 0.477 -5.454 1.00 0.00 H new ATOM 0 HB3 GLU A 56 11.933 -0.309 -6.454 1.00 0.00 H new ATOM 0 HG2 GLU A 56 12.106 1.281 -8.167 1.00 0.00 H new ATOM 0 HG3 GLU A 56 12.744 2.518 -7.103 1.00 0.00 H new ATOM 917 N ALA A 57 8.930 0.796 -6.041 1.00 0.00 N ATOM 918 CA ALA A 57 7.650 1.051 -6.623 1.00 0.00 C ATOM 919 C ALA A 57 6.889 2.135 -5.938 1.00 0.00 C ATOM 920 O ALA A 57 6.046 2.801 -6.537 1.00 0.00 O ATOM 921 CB ALA A 57 6.830 -0.249 -6.653 1.00 0.00 C ATOM 0 H ALA A 57 8.978 -0.084 -5.527 1.00 0.00 H new ATOM 0 HA ALA A 57 7.827 1.407 -7.638 1.00 0.00 H new ATOM 0 HB1 ALA A 57 5.854 -0.053 -7.097 1.00 0.00 H new ATOM 0 HB2 ALA A 57 7.355 -0.997 -7.247 1.00 0.00 H new ATOM 0 HB3 ALA A 57 6.698 -0.620 -5.636 1.00 0.00 H new ATOM 927 N TRP A 58 7.184 2.389 -4.650 1.00 0.00 N ATOM 928 CA TRP A 58 6.580 3.389 -3.827 1.00 0.00 C ATOM 929 C TRP A 58 7.198 4.721 -4.082 1.00 0.00 C ATOM 930 O TRP A 58 6.499 5.707 -4.308 1.00 0.00 O ATOM 931 CB TRP A 58 6.644 3.008 -2.338 1.00 0.00 C ATOM 932 CG TRP A 58 5.979 3.937 -1.350 1.00 0.00 C ATOM 933 CD1 TRP A 58 5.037 4.901 -1.567 1.00 0.00 C ATOM 934 CD2 TRP A 58 6.249 3.955 0.064 1.00 0.00 C ATOM 935 NE1 TRP A 58 4.759 5.568 -0.402 1.00 0.00 N ATOM 936 CE2 TRP A 58 5.514 5.016 0.606 1.00 0.00 C ATOM 937 CE3 TRP A 58 7.032 3.159 0.854 1.00 0.00 C ATOM 938 CZ2 TRP A 58 5.599 5.308 1.940 1.00 0.00 C ATOM 939 CZ3 TRP A 58 7.053 3.421 2.204 1.00 0.00 C ATOM 940 CH2 TRP A 58 6.370 4.491 2.732 1.00 0.00 C ATOM 0 H TRP A 58 7.896 1.856 -4.150 1.00 0.00 H new ATOM 0 HA TRP A 58 5.525 3.453 -4.092 1.00 0.00 H new ATOM 0 HB2 TRP A 58 6.197 2.020 -2.224 1.00 0.00 H new ATOM 0 HB3 TRP A 58 7.694 2.917 -2.059 1.00 0.00 H new ATOM 0 HD1 TRP A 58 4.576 5.109 -2.521 1.00 0.00 H new ATOM 0 HE1 TRP A 58 4.103 6.343 -0.300 1.00 0.00 H new ATOM 0 HE3 TRP A 58 7.614 2.353 0.432 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 5.076 6.155 2.358 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 7.616 2.775 2.861 1.00 0.00 H new ATOM 0 HH2 TRP A 58 6.441 4.694 3.790 1.00 0.00 H new ATOM 951 N GLU A 59 8.540 4.817 -4.106 1.00 0.00 N ATOM 952 CA GLU A 59 9.298 6.013 -4.311 1.00 0.00 C ATOM 953 C GLU A 59 9.186 6.602 -5.675 1.00 0.00 C ATOM 954 O GLU A 59 9.565 7.750 -5.905 1.00 0.00 O ATOM 955 CB GLU A 59 10.776 5.856 -3.917 1.00 0.00 C ATOM 956 CG GLU A 59 11.703 5.093 -4.866 1.00 0.00 C ATOM 957 CD GLU A 59 12.518 5.960 -5.815 1.00 0.00 C ATOM 958 OE1 GLU A 59 13.272 6.844 -5.328 1.00 0.00 O ATOM 959 OE2 GLU A 59 12.448 5.751 -7.056 1.00 0.00 O ATOM 0 H GLU A 59 9.136 4.000 -3.973 1.00 0.00 H new ATOM 0 HA GLU A 59 8.830 6.726 -3.633 1.00 0.00 H new ATOM 0 HB2 GLU A 59 11.191 6.854 -3.778 1.00 0.00 H new ATOM 0 HB3 GLU A 59 10.811 5.359 -2.948 1.00 0.00 H new ATOM 0 HG2 GLU A 59 12.389 4.490 -4.271 1.00 0.00 H new ATOM 0 HG3 GLU A 59 11.102 4.402 -5.457 1.00 0.00 H new ATOM 966 N ASN A 60 8.579 5.866 -6.623 1.00 0.00 N ATOM 967 CA ASN A 60 8.111 6.409 -7.861 1.00 0.00 C ATOM 968 C ASN A 60 7.048 7.433 -7.653 1.00 0.00 C ATOM 969 O ASN A 60 7.062 8.474 -8.307 1.00 0.00 O ATOM 970 CB ASN A 60 7.601 5.253 -8.737 1.00 0.00 C ATOM 971 CG ASN A 60 7.462 5.632 -10.203 1.00 0.00 C ATOM 972 OD1 ASN A 60 6.381 5.632 -10.790 1.00 0.00 O ATOM 973 ND2 ASN A 60 8.614 5.968 -10.845 1.00 0.00 N ATOM 0 H ASN A 60 8.409 4.865 -6.526 1.00 0.00 H new ATOM 0 HA ASN A 60 8.935 6.919 -8.360 1.00 0.00 H new ATOM 0 HB2 ASN A 60 8.286 4.409 -8.649 1.00 0.00 H new ATOM 0 HB3 ASN A 60 6.634 4.919 -8.361 1.00 0.00 H new ATOM 0 HD21 ASN A 60 8.591 6.226 -11.832 1.00 0.00 H new ATOM 0 HD22 ASN A 60 9.500 5.962 -10.340 1.00 0.00 H new ATOM 980 N LEU A 61 6.112 7.207 -6.714 1.00 0.00 N ATOM 981 CA LEU A 61 5.046 8.111 -6.417 1.00 0.00 C ATOM 982 C LEU A 61 5.270 8.757 -5.093 1.00 0.00 C ATOM 983 O LEU A 61 4.374 8.993 -4.284 1.00 0.00 O ATOM 984 CB LEU A 61 3.652 7.468 -6.507 1.00 0.00 C ATOM 985 CG LEU A 61 3.074 7.473 -7.933 1.00 0.00 C ATOM 986 CD1 LEU A 61 3.981 6.758 -8.949 1.00 0.00 C ATOM 987 CD2 LEU A 61 1.662 6.861 -7.963 1.00 0.00 C ATOM 0 H LEU A 61 6.098 6.363 -6.141 1.00 0.00 H new ATOM 0 HA LEU A 61 5.059 8.879 -7.191 1.00 0.00 H new ATOM 0 HB2 LEU A 61 3.709 6.440 -6.148 1.00 0.00 H new ATOM 0 HB3 LEU A 61 2.970 8.000 -5.843 1.00 0.00 H new ATOM 0 HG LEU A 61 3.016 8.520 -8.231 1.00 0.00 H new ATOM 0 HD11 LEU A 61 3.521 6.794 -9.936 1.00 0.00 H new ATOM 0 HD12 LEU A 61 4.951 7.254 -8.983 1.00 0.00 H new ATOM 0 HD13 LEU A 61 4.115 5.719 -8.649 1.00 0.00 H new ATOM 0 HD21 LEU A 61 1.280 6.878 -8.984 1.00 0.00 H new ATOM 0 HD22 LEU A 61 1.704 5.831 -7.609 1.00 0.00 H new ATOM 0 HD23 LEU A 61 1.001 7.440 -7.318 1.00 0.00 H new ATOM 999 N LYS A 62 6.552 9.109 -4.886 1.00 0.00 N ATOM 1000 CA LYS A 62 7.138 9.961 -3.900 1.00 0.00 C ATOM 1001 C LYS A 62 6.379 11.073 -3.262 1.00 0.00 C ATOM 1002 O LYS A 62 6.437 11.181 -2.038 1.00 0.00 O ATOM 1003 CB LYS A 62 8.512 10.465 -4.374 1.00 0.00 C ATOM 1004 CG LYS A 62 8.682 10.777 -5.862 1.00 0.00 C ATOM 1005 CD LYS A 62 7.859 11.933 -6.437 1.00 0.00 C ATOM 1006 CE LYS A 62 8.282 12.311 -7.858 1.00 0.00 C ATOM 1007 NZ LYS A 62 7.459 13.433 -8.361 1.00 0.00 N ATOM 0 H LYS A 62 7.275 8.739 -5.503 1.00 0.00 H new ATOM 0 HA LYS A 62 7.177 9.261 -3.065 1.00 0.00 H new ATOM 0 HB2 LYS A 62 8.749 11.369 -3.813 1.00 0.00 H new ATOM 0 HB3 LYS A 62 9.256 9.716 -4.101 1.00 0.00 H new ATOM 0 HG2 LYS A 62 9.735 10.990 -6.043 1.00 0.00 H new ATOM 0 HG3 LYS A 62 8.438 9.876 -6.425 1.00 0.00 H new ATOM 0 HD2 LYS A 62 6.804 11.657 -6.438 1.00 0.00 H new ATOM 0 HD3 LYS A 62 7.961 12.803 -5.789 1.00 0.00 H new ATOM 0 HE2 LYS A 62 9.335 12.591 -7.868 1.00 0.00 H new ATOM 0 HE3 LYS A 62 8.175 11.449 -8.517 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 7.758 13.678 -9.326 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 6.458 13.152 -8.370 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 7.582 14.259 -7.741 1.00 0.00 H new ATOM 1021 N GLY A 63 5.706 11.959 -4.019 1.00 0.00 N ATOM 1022 CA GLY A 63 5.353 13.251 -3.517 1.00 0.00 C ATOM 1023 C GLY A 63 3.951 13.660 -3.813 1.00 0.00 C ATOM 1024 O GLY A 63 3.432 14.563 -3.159 1.00 0.00 O ATOM 0 H GLY A 63 5.407 11.781 -4.978 1.00 0.00 H new ATOM 0 HA2 GLY A 63 5.502 13.262 -2.437 1.00 0.00 H new ATOM 0 HA3 GLY A 63 6.032 13.991 -3.940 1.00 0.00 H new ATOM 1028 N LYS A 64 3.288 13.019 -4.793 1.00 0.00 N ATOM 1029 CA LYS A 64 1.938 13.356 -5.120 1.00 0.00 C ATOM 1030 C LYS A 64 0.994 12.295 -4.668 1.00 0.00 C ATOM 1031 O LYS A 64 -0.129 12.115 -5.136 1.00 0.00 O ATOM 1032 CB LYS A 64 1.785 13.685 -6.615 1.00 0.00 C ATOM 1033 CG LYS A 64 1.294 15.124 -6.775 1.00 0.00 C ATOM 1034 CD LYS A 64 1.084 15.508 -8.241 1.00 0.00 C ATOM 1035 CE LYS A 64 0.603 16.945 -8.459 1.00 0.00 C ATOM 1036 NZ LYS A 64 -0.778 17.118 -7.956 1.00 0.00 N ATOM 0 H LYS A 64 3.687 12.269 -5.358 1.00 0.00 H new ATOM 0 HA LYS A 64 1.676 14.264 -4.576 1.00 0.00 H new ATOM 0 HB2 LYS A 64 2.739 13.557 -7.126 1.00 0.00 H new ATOM 0 HB3 LYS A 64 1.080 12.996 -7.079 1.00 0.00 H new ATOM 0 HG2 LYS A 64 0.357 15.248 -6.232 1.00 0.00 H new ATOM 0 HG3 LYS A 64 2.017 15.804 -6.324 1.00 0.00 H new ATOM 0 HD2 LYS A 64 2.022 15.367 -8.778 1.00 0.00 H new ATOM 0 HD3 LYS A 64 0.358 14.825 -8.682 1.00 0.00 H new ATOM 0 HE2 LYS A 64 1.271 17.638 -7.948 1.00 0.00 H new ATOM 0 HE3 LYS A 64 0.642 17.189 -9.521 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -1.257 17.859 -8.506 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -1.298 16.223 -8.055 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -0.750 17.394 -6.954 1.00 0.00 H new ATOM 1050 N SER A 65 1.455 11.582 -3.625 1.00 0.00 N ATOM 1051 CA SER A 65 0.898 10.419 -3.007 1.00 0.00 C ATOM 1052 C SER A 65 -0.509 10.552 -2.536 1.00 0.00 C ATOM 1053 O SER A 65 -1.376 9.742 -2.859 1.00 0.00 O ATOM 1054 CB SER A 65 1.790 10.097 -1.795 1.00 0.00 C ATOM 1055 OG SER A 65 3.169 10.207 -2.111 1.00 0.00 O ATOM 0 H SER A 65 2.322 11.857 -3.163 1.00 0.00 H new ATOM 0 HA SER A 65 0.870 9.636 -3.765 1.00 0.00 H new ATOM 0 HB2 SER A 65 1.550 10.775 -0.976 1.00 0.00 H new ATOM 0 HB3 SER A 65 1.577 9.087 -1.445 1.00 0.00 H new ATOM 0 HG SER A 65 3.361 9.691 -2.922 1.00 0.00 H new ATOM 1061 N GLN A 66 -0.828 11.607 -1.764 1.00 0.00 N ATOM 1062 CA GLN A 66 -2.117 11.785 -1.171 1.00 0.00 C ATOM 1063 C GLN A 66 -3.163 12.288 -2.107 1.00 0.00 C ATOM 1064 O GLN A 66 -4.350 12.304 -1.783 1.00 0.00 O ATOM 1065 CB GLN A 66 -1.966 12.660 0.084 1.00 0.00 C ATOM 1066 CG GLN A 66 -1.489 11.729 1.200 1.00 0.00 C ATOM 1067 CD GLN A 66 -1.178 12.421 2.519 1.00 0.00 C ATOM 1068 OE1 GLN A 66 -0.726 13.561 2.607 1.00 0.00 O ATOM 1069 NE2 GLN A 66 -1.367 11.641 3.617 1.00 0.00 N ATOM 0 H GLN A 66 -0.171 12.357 -1.546 1.00 0.00 H new ATOM 0 HA GLN A 66 -2.492 10.802 -0.887 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -1.249 13.463 -0.086 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -2.914 13.129 0.347 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -2.254 10.972 1.374 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -0.595 11.206 0.860 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -1.744 10.699 3.514 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -1.132 11.998 4.543 1.00 0.00 H new ATOM 1078 N GLU A 67 -2.745 12.726 -3.308 1.00 0.00 N ATOM 1079 CA GLU A 67 -3.636 13.089 -4.367 1.00 0.00 C ATOM 1080 C GLU A 67 -3.917 11.916 -5.242 1.00 0.00 C ATOM 1081 O GLU A 67 -5.066 11.710 -5.630 1.00 0.00 O ATOM 1082 CB GLU A 67 -3.054 14.236 -5.210 1.00 0.00 C ATOM 1083 CG GLU A 67 -2.948 15.541 -4.420 1.00 0.00 C ATOM 1084 CD GLU A 67 -2.444 16.673 -5.305 1.00 0.00 C ATOM 1085 OE1 GLU A 67 -3.273 17.317 -6.001 1.00 0.00 O ATOM 1086 OE2 GLU A 67 -1.208 16.922 -5.318 1.00 0.00 O ATOM 0 H GLU A 67 -1.760 12.831 -3.550 1.00 0.00 H new ATOM 0 HA GLU A 67 -4.568 13.427 -3.914 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -2.066 13.952 -5.573 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -3.682 14.395 -6.087 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -3.923 15.802 -4.009 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -2.272 15.406 -3.576 1.00 0.00 H new ATOM 1093 N ASP A 68 -2.884 11.145 -5.624 1.00 0.00 N ATOM 1094 CA ASP A 68 -3.019 10.138 -6.630 1.00 0.00 C ATOM 1095 C ASP A 68 -3.341 8.781 -6.104 1.00 0.00 C ATOM 1096 O ASP A 68 -4.091 8.040 -6.737 1.00 0.00 O ATOM 1097 CB ASP A 68 -1.752 10.131 -7.501 1.00 0.00 C ATOM 1098 CG ASP A 68 -1.989 9.487 -8.860 1.00 0.00 C ATOM 1099 OD1 ASP A 68 -2.924 9.910 -9.590 1.00 0.00 O ATOM 1100 OD2 ASP A 68 -1.203 8.572 -9.224 1.00 0.00 O ATOM 0 H ASP A 68 -1.946 11.221 -5.231 1.00 0.00 H new ATOM 0 HA ASP A 68 -3.887 10.398 -7.236 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -1.405 11.155 -7.642 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -0.959 9.594 -6.980 1.00 0.00 H new ATOM 1105 N ALA A 69 -2.812 8.394 -4.930 1.00 0.00 N ATOM 1106 CA ALA A 69 -3.127 7.141 -4.316 1.00 0.00 C ATOM 1107 C ALA A 69 -4.592 6.942 -4.123 1.00 0.00 C ATOM 1108 O ALA A 69 -5.178 6.064 -4.756 1.00 0.00 O ATOM 1109 CB ALA A 69 -2.420 6.950 -2.963 1.00 0.00 C ATOM 0 H ALA A 69 -2.153 8.961 -4.397 1.00 0.00 H new ATOM 0 HA ALA A 69 -2.760 6.392 -5.018 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -2.695 5.983 -2.542 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -1.340 6.989 -3.108 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -2.723 7.743 -2.279 1.00 0.00 H new ATOM 1115 N GLU A 70 -5.265 7.793 -3.329 1.00 0.00 N ATOM 1116 CA GLU A 70 -6.679 7.747 -3.122 1.00 0.00 C ATOM 1117 C GLU A 70 -7.584 7.473 -4.273 1.00 0.00 C ATOM 1118 O GLU A 70 -8.562 6.740 -4.133 1.00 0.00 O ATOM 1119 CB GLU A 70 -7.148 9.012 -2.384 1.00 0.00 C ATOM 1120 CG GLU A 70 -6.819 10.328 -3.093 1.00 0.00 C ATOM 1121 CD GLU A 70 -7.849 11.379 -2.701 1.00 0.00 C ATOM 1122 OE1 GLU A 70 -8.059 11.627 -1.485 1.00 0.00 O ATOM 1123 OE2 GLU A 70 -8.535 11.906 -3.618 1.00 0.00 O ATOM 0 H GLU A 70 -4.806 8.542 -2.811 1.00 0.00 H new ATOM 0 HA GLU A 70 -6.783 6.838 -2.529 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -8.227 8.953 -2.240 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -6.695 9.026 -1.393 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -5.818 10.662 -2.819 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -6.822 10.184 -4.173 1.00 0.00 H new ATOM 1130 N LYS A 71 -7.337 8.031 -5.472 1.00 0.00 N ATOM 1131 CA LYS A 71 -8.180 7.919 -6.621 1.00 0.00 C ATOM 1132 C LYS A 71 -7.911 6.719 -7.462 1.00 0.00 C ATOM 1133 O LYS A 71 -8.838 6.120 -8.006 1.00 0.00 O ATOM 1134 CB LYS A 71 -8.026 9.171 -7.502 1.00 0.00 C ATOM 1135 CG LYS A 71 -8.456 10.476 -6.830 1.00 0.00 C ATOM 1136 CD LYS A 71 -7.842 11.672 -7.561 1.00 0.00 C ATOM 1137 CE LYS A 71 -8.125 13.054 -6.970 1.00 0.00 C ATOM 1138 NZ LYS A 71 -7.448 13.208 -5.662 1.00 0.00 N ATOM 0 H LYS A 71 -6.503 8.591 -5.648 1.00 0.00 H new ATOM 0 HA LYS A 71 -9.194 7.818 -6.233 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -6.983 9.260 -7.806 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -8.612 9.035 -8.411 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -9.543 10.556 -6.835 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -8.141 10.477 -5.786 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -6.762 11.531 -7.597 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -8.199 11.662 -8.591 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -7.781 13.827 -7.657 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -9.200 13.191 -6.848 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -7.206 14.208 -5.512 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -8.083 12.888 -4.903 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -6.579 12.636 -5.651 1.00 0.00 H new ATOM 1152 N GLU A 72 -6.643 6.293 -7.609 1.00 0.00 N ATOM 1153 CA GLU A 72 -6.364 5.091 -8.331 1.00 0.00 C ATOM 1154 C GLU A 72 -6.547 3.895 -7.461 1.00 0.00 C ATOM 1155 O GLU A 72 -6.786 2.796 -7.956 1.00 0.00 O ATOM 1156 CB GLU A 72 -4.963 5.118 -8.966 1.00 0.00 C ATOM 1157 CG GLU A 72 -4.677 6.330 -9.854 1.00 0.00 C ATOM 1158 CD GLU A 72 -5.567 6.426 -11.084 1.00 0.00 C ATOM 1159 OE1 GLU A 72 -5.437 5.583 -12.011 1.00 0.00 O ATOM 1160 OE2 GLU A 72 -6.367 7.395 -11.177 1.00 0.00 O ATOM 0 H GLU A 72 -5.824 6.772 -7.235 1.00 0.00 H new ATOM 0 HA GLU A 72 -7.081 5.024 -9.149 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -4.219 5.087 -8.170 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -4.832 4.213 -9.560 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -4.797 7.237 -9.261 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -3.636 6.294 -10.175 1.00 0.00 H new ATOM 1167 N TYR A 73 -6.486 4.052 -6.126 1.00 0.00 N ATOM 1168 CA TYR A 73 -6.585 2.984 -5.180 1.00 0.00 C ATOM 1169 C TYR A 73 -7.902 2.286 -5.190 1.00 0.00 C ATOM 1170 O TYR A 73 -7.928 1.065 -5.332 1.00 0.00 O ATOM 1171 CB TYR A 73 -6.349 3.440 -3.731 1.00 0.00 C ATOM 1172 CG TYR A 73 -6.001 2.304 -2.830 1.00 0.00 C ATOM 1173 CD1 TYR A 73 -4.828 1.622 -3.054 1.00 0.00 C ATOM 1174 CD2 TYR A 73 -6.786 1.964 -1.754 1.00 0.00 C ATOM 1175 CE1 TYR A 73 -4.374 0.690 -2.150 1.00 0.00 C ATOM 1176 CE2 TYR A 73 -6.359 1.001 -0.871 1.00 0.00 C ATOM 1177 CZ TYR A 73 -5.143 0.384 -1.052 1.00 0.00 C ATOM 1178 OH TYR A 73 -4.695 -0.628 -0.176 1.00 0.00 O ATOM 0 H TYR A 73 -6.362 4.964 -5.687 1.00 0.00 H new ATOM 0 HA TYR A 73 -5.800 2.301 -5.506 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -5.546 4.176 -3.710 1.00 0.00 H new ATOM 0 HB3 TYR A 73 -7.245 3.936 -3.358 1.00 0.00 H new ATOM 0 HD1 TYR A 73 -4.257 1.820 -3.949 1.00 0.00 H new ATOM 0 HD2 TYR A 73 -7.737 2.453 -1.603 1.00 0.00 H new ATOM 0 HE1 TYR A 73 -3.422 0.203 -2.301 1.00 0.00 H new ATOM 0 HE2 TYR A 73 -6.981 0.728 -0.031 1.00 0.00 H new ATOM 0 HH TYR A 73 -5.277 -1.412 -0.258 1.00 0.00 H new ATOM 1188 N ILE A 74 -9.027 3.015 -5.077 1.00 0.00 N ATOM 1189 CA ILE A 74 -10.336 2.476 -5.285 1.00 0.00 C ATOM 1190 C ILE A 74 -10.485 1.513 -6.411 1.00 0.00 C ATOM 1191 O ILE A 74 -10.965 0.396 -6.224 1.00 0.00 O ATOM 1192 CB ILE A 74 -11.356 3.574 -5.352 1.00 0.00 C ATOM 1193 CG1 ILE A 74 -12.817 3.107 -5.246 1.00 0.00 C ATOM 1194 CG2 ILE A 74 -11.129 4.587 -6.487 1.00 0.00 C ATOM 1195 CD1 ILE A 74 -13.508 2.676 -6.539 1.00 0.00 C ATOM 0 H ILE A 74 -9.027 4.006 -4.835 1.00 0.00 H new ATOM 0 HA ILE A 74 -10.517 1.857 -4.406 1.00 0.00 H new ATOM 0 HB ILE A 74 -11.175 4.130 -4.432 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -12.855 2.271 -4.548 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -13.399 3.916 -4.805 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -11.912 5.345 -6.460 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -10.158 5.065 -6.360 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -11.156 4.071 -7.446 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -14.532 2.371 -6.320 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -13.520 3.510 -7.241 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -12.966 1.839 -6.979 1.00 0.00 H new ATOM 1207 N ALA A 75 -10.014 1.844 -7.627 1.00 0.00 N ATOM 1208 CA ALA A 75 -10.153 0.976 -8.755 1.00 0.00 C ATOM 1209 C ALA A 75 -9.233 -0.195 -8.793 1.00 0.00 C ATOM 1210 O ALA A 75 -9.462 -1.152 -9.530 1.00 0.00 O ATOM 1211 CB ALA A 75 -10.062 1.798 -10.051 1.00 0.00 C ATOM 0 H ALA A 75 -9.533 2.720 -7.830 1.00 0.00 H new ATOM 0 HA ALA A 75 -11.139 0.523 -8.653 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -10.168 1.136 -10.910 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -10.858 2.542 -10.066 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -9.095 2.300 -10.097 1.00 0.00 H new ATOM 1217 N LEU A 76 -8.157 -0.209 -7.985 1.00 0.00 N ATOM 1218 CA LEU A 76 -7.403 -1.396 -7.718 1.00 0.00 C ATOM 1219 C LEU A 76 -8.147 -2.281 -6.779 1.00 0.00 C ATOM 1220 O LEU A 76 -8.471 -3.428 -7.083 1.00 0.00 O ATOM 1221 CB LEU A 76 -6.054 -1.117 -7.035 1.00 0.00 C ATOM 1222 CG LEU A 76 -5.067 -0.234 -7.818 1.00 0.00 C ATOM 1223 CD1 LEU A 76 -3.849 0.050 -6.923 1.00 0.00 C ATOM 1224 CD2 LEU A 76 -4.611 -0.893 -9.131 1.00 0.00 C ATOM 0 H LEU A 76 -7.804 0.620 -7.508 1.00 0.00 H new ATOM 0 HA LEU A 76 -7.239 -1.854 -8.694 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -6.248 -0.643 -6.073 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -5.570 -2.072 -6.829 1.00 0.00 H new ATOM 0 HG LEU A 76 -5.574 0.693 -8.087 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -3.138 0.676 -7.463 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -4.174 0.567 -6.020 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -3.370 -0.891 -6.651 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -3.916 -0.232 -9.648 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -4.116 -1.839 -8.911 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -5.478 -1.076 -9.766 1.00 0.00 H new ATOM 1236 N VAL A 77 -8.440 -1.738 -5.584 1.00 0.00 N ATOM 1237 CA VAL A 77 -8.856 -2.424 -4.400 1.00 0.00 C ATOM 1238 C VAL A 77 -10.263 -2.905 -4.510 1.00 0.00 C ATOM 1239 O VAL A 77 -10.585 -3.954 -3.955 1.00 0.00 O ATOM 1240 CB VAL A 77 -8.631 -1.577 -3.182 1.00 0.00 C ATOM 1241 CG1 VAL A 77 -9.412 -2.062 -1.949 1.00 0.00 C ATOM 1242 CG2 VAL A 77 -7.128 -1.709 -2.884 1.00 0.00 C ATOM 0 H VAL A 77 -8.380 -0.731 -5.435 1.00 0.00 H new ATOM 0 HA VAL A 77 -8.236 -3.314 -4.289 1.00 0.00 H new ATOM 0 HB VAL A 77 -8.968 -0.559 -3.376 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -9.203 -1.405 -1.105 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -10.480 -2.047 -2.166 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -9.107 -3.079 -1.702 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -6.878 -1.117 -2.003 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -6.884 -2.755 -2.699 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -6.555 -1.348 -3.738 1.00 0.00 H new ATOM 1252 N ASP A 78 -11.155 -2.251 -5.274 1.00 0.00 N ATOM 1253 CA ASP A 78 -12.480 -2.755 -5.456 1.00 0.00 C ATOM 1254 C ASP A 78 -12.494 -4.066 -6.164 1.00 0.00 C ATOM 1255 O ASP A 78 -13.247 -4.977 -5.825 1.00 0.00 O ATOM 1256 CB ASP A 78 -13.285 -1.694 -6.226 1.00 0.00 C ATOM 1257 CG ASP A 78 -14.757 -2.021 -6.428 1.00 0.00 C ATOM 1258 OD1 ASP A 78 -15.530 -2.026 -5.432 1.00 0.00 O ATOM 1259 OD2 ASP A 78 -15.147 -2.270 -7.600 1.00 0.00 O ATOM 0 H ASP A 78 -10.960 -1.378 -5.764 1.00 0.00 H new ATOM 0 HA ASP A 78 -12.933 -2.941 -4.482 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -13.209 -0.746 -5.694 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -12.824 -1.549 -7.203 1.00 0.00 H new ATOM 1264 N GLN A 79 -11.591 -4.224 -7.148 1.00 0.00 N ATOM 1265 CA GLN A 79 -11.420 -5.419 -7.914 1.00 0.00 C ATOM 1266 C GLN A 79 -10.570 -6.431 -7.224 1.00 0.00 C ATOM 1267 O GLN A 79 -10.582 -7.606 -7.587 1.00 0.00 O ATOM 1268 CB GLN A 79 -10.911 -5.050 -9.318 1.00 0.00 C ATOM 1269 CG GLN A 79 -11.926 -4.167 -10.047 1.00 0.00 C ATOM 1270 CD GLN A 79 -11.527 -3.824 -11.475 1.00 0.00 C ATOM 1271 OE1 GLN A 79 -11.976 -4.450 -12.434 1.00 0.00 O ATOM 1272 NE2 GLN A 79 -10.680 -2.773 -11.639 1.00 0.00 N ATOM 0 H GLN A 79 -10.948 -3.481 -7.423 1.00 0.00 H new ATOM 0 HA GLN A 79 -12.387 -5.910 -8.020 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -9.958 -4.527 -9.239 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -10.730 -5.957 -9.895 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -12.891 -4.674 -10.061 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -12.060 -3.243 -9.485 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -10.324 -2.273 -10.824 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -10.401 -2.485 -12.577 1.00 0.00 H new ATOM 1281 N LEU A 80 -9.868 -6.044 -6.144 1.00 0.00 N ATOM 1282 CA LEU A 80 -9.300 -6.926 -5.173 1.00 0.00 C ATOM 1283 C LEU A 80 -10.392 -7.471 -4.318 1.00 0.00 C ATOM 1284 O LEU A 80 -10.661 -8.671 -4.330 1.00 0.00 O ATOM 1285 CB LEU A 80 -8.218 -6.269 -4.299 1.00 0.00 C ATOM 1286 CG LEU A 80 -6.990 -5.717 -5.041 1.00 0.00 C ATOM 1287 CD1 LEU A 80 -5.864 -5.435 -4.031 1.00 0.00 C ATOM 1288 CD2 LEU A 80 -6.445 -6.611 -6.168 1.00 0.00 C ATOM 0 H LEU A 80 -9.687 -5.062 -5.938 1.00 0.00 H new ATOM 0 HA LEU A 80 -8.797 -7.725 -5.718 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -8.677 -5.453 -3.741 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -7.876 -7.002 -3.568 1.00 0.00 H new ATOM 0 HG LEU A 80 -7.336 -4.806 -5.530 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -4.993 -5.044 -4.557 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -6.206 -4.702 -3.300 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -5.594 -6.359 -3.520 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -5.580 -6.131 -6.627 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -6.149 -7.576 -5.756 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -7.219 -6.760 -6.921 1.00 0.00 H new ATOM 1300 N ILE A 81 -11.120 -6.610 -3.585 1.00 0.00 N ATOM 1301 CA ILE A 81 -12.172 -6.892 -2.657 1.00 0.00 C ATOM 1302 C ILE A 81 -13.273 -7.726 -3.214 1.00 0.00 C ATOM 1303 O ILE A 81 -13.773 -8.627 -2.541 1.00 0.00 O ATOM 1304 CB ILE A 81 -12.726 -5.587 -2.164 1.00 0.00 C ATOM 1305 CG1 ILE A 81 -11.781 -4.935 -1.141 1.00 0.00 C ATOM 1306 CG2 ILE A 81 -14.169 -5.625 -1.633 1.00 0.00 C ATOM 1307 CD1 ILE A 81 -11.902 -5.480 0.281 1.00 0.00 C ATOM 0 H ILE A 81 -10.951 -5.606 -3.652 1.00 0.00 H new ATOM 0 HA ILE A 81 -11.738 -7.481 -1.849 1.00 0.00 H new ATOM 0 HB ILE A 81 -12.786 -4.969 -3.060 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -10.754 -5.068 -1.480 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -11.974 -3.862 -1.122 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -14.462 -4.628 -1.305 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -14.840 -5.958 -2.425 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -14.229 -6.316 -0.792 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -11.198 -4.961 0.931 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -12.917 -5.322 0.646 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -11.678 -6.547 0.282 1.00 0.00 H new ATOM 1319 N ALA A 82 -13.663 -7.498 -4.481 1.00 0.00 N ATOM 1320 CA ALA A 82 -14.577 -8.313 -5.219 1.00 0.00 C ATOM 1321 C ALA A 82 -14.270 -9.770 -5.168 1.00 0.00 C ATOM 1322 O ALA A 82 -15.135 -10.611 -4.928 1.00 0.00 O ATOM 1323 CB ALA A 82 -14.606 -7.855 -6.687 1.00 0.00 C ATOM 0 H ALA A 82 -13.322 -6.702 -5.019 1.00 0.00 H new ATOM 0 HA ALA A 82 -15.549 -8.183 -4.744 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -15.303 -8.477 -7.249 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -14.927 -6.814 -6.737 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -13.609 -7.948 -7.117 1.00 0.00 H new ATOM 1329 N LYS A 83 -12.980 -10.123 -5.315 1.00 0.00 N ATOM 1330 CA LYS A 83 -12.504 -11.468 -5.222 1.00 0.00 C ATOM 1331 C LYS A 83 -12.208 -11.816 -3.804 1.00 0.00 C ATOM 1332 O LYS A 83 -12.437 -12.942 -3.366 1.00 0.00 O ATOM 1333 CB LYS A 83 -11.200 -11.607 -6.025 1.00 0.00 C ATOM 1334 CG LYS A 83 -11.243 -11.151 -7.484 1.00 0.00 C ATOM 1335 CD LYS A 83 -9.838 -11.311 -8.070 1.00 0.00 C ATOM 1336 CE LYS A 83 -9.726 -10.851 -9.524 1.00 0.00 C ATOM 1337 NZ LYS A 83 -9.794 -9.375 -9.603 1.00 0.00 N ATOM 0 H LYS A 83 -12.241 -9.446 -5.506 1.00 0.00 H new ATOM 0 HA LYS A 83 -13.273 -12.133 -5.615 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -10.423 -11.040 -5.513 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -10.897 -12.654 -6.004 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -11.961 -11.746 -8.048 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -11.567 -10.112 -7.549 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -9.133 -10.743 -7.463 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -9.543 -12.358 -8.005 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -8.787 -11.202 -9.952 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -10.530 -11.291 -10.115 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -10.459 -9.098 -10.353 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -10.120 -8.993 -8.692 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -8.850 -8.995 -9.820 1.00 0.00 H new ATOM 1351 N TYR A 84 -11.631 -10.873 -3.037 1.00 0.00 N ATOM 1352 CA TYR A 84 -10.844 -11.196 -1.888 1.00 0.00 C ATOM 1353 C TYR A 84 -11.529 -11.054 -0.573 1.00 0.00 C ATOM 1354 O TYR A 84 -11.073 -11.670 0.389 1.00 0.00 O ATOM 1355 CB TYR A 84 -9.540 -10.380 -1.869 1.00 0.00 C ATOM 1356 CG TYR A 84 -8.610 -10.619 -3.008 1.00 0.00 C ATOM 1357 CD1 TYR A 84 -8.657 -11.733 -3.814 1.00 0.00 C ATOM 1358 CD2 TYR A 84 -7.620 -9.696 -3.243 1.00 0.00 C ATOM 1359 CE1 TYR A 84 -7.759 -11.913 -4.839 1.00 0.00 C ATOM 1360 CE2 TYR A 84 -6.707 -9.858 -4.259 1.00 0.00 C ATOM 1361 CZ TYR A 84 -6.781 -10.972 -5.061 1.00 0.00 C ATOM 1362 OH TYR A 84 -5.858 -11.229 -6.097 1.00 0.00 O ATOM 0 H TYR A 84 -11.712 -9.872 -3.217 1.00 0.00 H new ATOM 0 HA TYR A 84 -10.641 -12.261 -2.002 1.00 0.00 H new ATOM 0 HB2 TYR A 84 -9.796 -9.321 -1.850 1.00 0.00 H new ATOM 0 HB3 TYR A 84 -9.011 -10.597 -0.941 1.00 0.00 H new ATOM 0 HD1 TYR A 84 -9.415 -12.482 -3.638 1.00 0.00 H new ATOM 0 HD2 TYR A 84 -7.557 -8.821 -2.614 1.00 0.00 H new ATOM 0 HE1 TYR A 84 -7.821 -12.789 -5.467 1.00 0.00 H new ATOM 0 HE2 TYR A 84 -5.939 -9.117 -4.425 1.00 0.00 H new ATOM 0 HH TYR A 84 -5.538 -10.380 -6.468 1.00 0.00 H new ATOM 1372 N SER A 85 -12.624 -10.281 -0.462 1.00 0.00 N ATOM 1373 CA SER A 85 -13.406 -10.107 0.722 1.00 0.00 C ATOM 1374 C SER A 85 -13.680 -11.356 1.489 1.00 0.00 C ATOM 1375 O SER A 85 -13.376 -11.467 2.675 1.00 0.00 O ATOM 1376 CB SER A 85 -14.739 -9.395 0.432 1.00 0.00 C ATOM 1377 OG SER A 85 -15.433 -9.025 1.614 1.00 0.00 O ATOM 0 H SER A 85 -12.985 -9.744 -1.250 1.00 0.00 H new ATOM 0 HA SER A 85 -12.774 -9.483 1.353 1.00 0.00 H new ATOM 0 HB2 SER A 85 -14.547 -8.504 -0.165 1.00 0.00 H new ATOM 0 HB3 SER A 85 -15.373 -10.050 -0.166 1.00 0.00 H new ATOM 0 HG SER A 85 -16.270 -8.576 1.375 1.00 0.00 H new ATOM 1383 N SER A 86 -14.258 -12.365 0.812 1.00 0.00 N ATOM 1384 CA SER A 86 -14.365 -13.686 1.346 1.00 0.00 C ATOM 1385 C SER A 86 -14.355 -14.695 0.207 1.00 0.00 C ATOM 1386 O SER A 86 -13.946 -15.865 0.438 1.00 0.00 O ATOM 1387 CB SER A 86 -15.645 -13.838 2.186 1.00 0.00 C ATOM 1388 OG SER A 86 -15.600 -14.964 3.049 1.00 0.00 O ATOM 1389 OXT SER A 86 -14.719 -14.352 -0.950 1.00 0.00 O ATOM 0 H SER A 86 -14.657 -12.261 -0.121 1.00 0.00 H new ATOM 0 HA SER A 86 -13.513 -13.871 2.000 1.00 0.00 H new ATOM 0 HB2 SER A 86 -15.795 -12.936 2.779 1.00 0.00 H new ATOM 0 HB3 SER A 86 -16.503 -13.929 1.520 1.00 0.00 H new ATOM 0 HG SER A 86 -16.434 -15.017 3.562 1.00 0.00 H new TER 1395 SER A 86