USER MOD reduce.3.24.130724 H: found=0, std=0, add=737, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 614 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 68 MET CE :methyl -166:sc= -0.419 (180deg=-0.868) USER MOD Set 1.2: A 73 THR OG1 : rot 55:sc= 0.308 USER MOD Set 2.1: A 64 ASN : amide:sc= 0.42 K(o=0.75,f=-0.27!) USER MOD Set 2.2: A 66 THR OG1 : rot 180:sc= 0.329 USER MOD Set 3.1: A 1 MET CE :methyl -125:sc= 0 (180deg=-0.654) USER MOD Set 3.2: A 20 THR OG1 : rot 180:sc= 0.00105 USER MOD Set 4.1: A 6 TYR OH : rot 180:sc= -0.233 USER MOD Set 4.2: A 38 TYR OH : rot -153:sc= 0.713 USER MOD Single : A 1 MET N :NH3+ -138:sc= 1.22 (180deg=0.918) USER MOD Single : A 3 THR OG1 : rot 180:sc= -0.527 USER MOD Single : A 7 TYR OH : rot 180:sc= 0 USER MOD Single : A 9 THR OG1 : rot 180:sc= -0.807 USER MOD Single : A 14 THR OG1 : rot 120:sc= 1.33 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 ASN : amide:sc= -0.347 K(o=-0.35,f=-1.5) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ -150:sc= 1.22 (180deg=0.545) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 35 LYS NZ :NH3+ -139:sc= -0.811 (180deg=-2.5!) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 43 THR OG1 : rot -178:sc= -1.39 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 GLN : amide:sc=-0.00108 K(o=-0.0011,f=-0.59) USER MOD Single : A 46 MET CE :methyl -142:sc= -1.04 (180deg=-4.49) USER MOD Single : A 47 TYR OH : rot -103:sc= 1.26 USER MOD Single : A 50 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 51 ASN : amide:sc= -0.0898 X(o=-0.09,f=-0.09) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 ASN : amide:sc= -1.19 X(o=-1.2,f=-1.6) USER MOD Single : A 61 ASN : amide:sc= -2.7 K(o=-2.7,f=-4.1!) USER MOD Single : A 63 ASN : amide:sc= -0.514 K(o=-0.51,f=-1.6!) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -2.083 12.473 7.475 1.00 14.02 N ATOM 2 CA MET A 1 -1.487 11.309 8.118 1.00 45.14 C ATOM 3 C MET A 1 -2.157 10.022 7.643 1.00 55.42 C ATOM 4 O MET A 1 -3.377 9.882 7.717 1.00 13.42 O ATOM 5 CB MET A 1 -1.602 11.425 9.639 1.00 50.52 C ATOM 6 CG MET A 1 -1.217 10.153 10.377 1.00 4.32 C ATOM 7 SD MET A 1 -0.413 10.482 11.957 1.00 53.01 S ATOM 8 CE MET A 1 1.249 10.875 11.415 1.00 20.12 C ATOM 0 H1 MET A 1 -1.333 13.139 7.199 1.00 14.02 H new ATOM 0 H2 MET A 1 -2.607 12.172 6.629 1.00 14.02 H new ATOM 0 H3 MET A 1 -2.734 12.940 8.138 1.00 14.02 H new ATOM 0 HA MET A 1 -0.433 11.273 7.842 1.00 45.14 H new ATOM 0 HB2 MET A 1 -0.966 12.241 9.982 1.00 50.52 H new ATOM 0 HB3 MET A 1 -2.627 11.690 9.898 1.00 50.52 H new ATOM 0 HG2 MET A 1 -2.110 9.552 10.547 1.00 4.32 H new ATOM 0 HG3 MET A 1 -0.549 9.562 9.750 1.00 4.32 H new ATOM 0 HE1 MET A 1 1.961 10.227 11.926 1.00 20.12 H new ATOM 0 HE2 MET A 1 1.327 10.721 10.339 1.00 20.12 H new ATOM 0 HE3 MET A 1 1.472 11.916 11.650 1.00 20.12 H new ATOM 16 N VAL A 2 -1.350 9.086 7.156 1.00 24.22 N ATOM 17 CA VAL A 2 -1.865 7.811 6.669 1.00 51.43 C ATOM 18 C VAL A 2 -1.275 6.645 7.454 1.00 61.32 C ATOM 19 O VAL A 2 -0.063 6.571 7.663 1.00 63.11 O ATOM 20 CB VAL A 2 -1.558 7.615 5.173 1.00 74.34 C ATOM 21 CG1 VAL A 2 -2.495 8.458 4.320 1.00 71.04 C ATOM 22 CG2 VAL A 2 -0.105 7.958 4.878 1.00 43.54 C ATOM 0 H VAL A 2 -0.337 9.186 7.088 1.00 24.22 H new ATOM 0 HA VAL A 2 -2.946 7.832 6.810 1.00 51.43 H new ATOM 0 HB VAL A 2 -1.720 6.567 4.922 1.00 74.34 H new ATOM 0 HG11 VAL A 2 -2.263 8.306 3.266 1.00 71.04 H new ATOM 0 HG12 VAL A 2 -3.526 8.161 4.511 1.00 71.04 H new ATOM 0 HG13 VAL A 2 -2.368 9.511 4.572 1.00 71.04 H new ATOM 0 HG21 VAL A 2 0.095 7.814 3.816 1.00 43.54 H new ATOM 0 HG22 VAL A 2 0.085 8.998 5.145 1.00 43.54 H new ATOM 0 HG23 VAL A 2 0.548 7.309 5.461 1.00 43.54 H new ATOM 32 N THR A 3 -2.140 5.733 7.887 1.00 53.43 N ATOM 33 CA THR A 3 -1.705 4.570 8.651 1.00 1.33 C ATOM 34 C THR A 3 -1.790 3.300 7.812 1.00 63.04 C ATOM 35 O THR A 3 -2.785 3.060 7.129 1.00 43.21 O ATOM 36 CB THR A 3 -2.550 4.387 9.926 1.00 25.14 C ATOM 37 OG1 THR A 3 -2.850 5.662 10.502 1.00 53.32 O ATOM 38 CG2 THR A 3 -1.816 3.524 10.942 1.00 20.14 C ATOM 0 H THR A 3 -3.146 5.777 7.722 1.00 53.43 H new ATOM 0 HA THR A 3 -0.668 4.747 8.935 1.00 1.33 H new ATOM 0 HB THR A 3 -3.479 3.886 9.652 1.00 25.14 H new ATOM 0 HG1 THR A 3 -3.389 5.537 11.311 1.00 53.32 H new ATOM 0 HG21 THR A 3 -2.432 3.409 11.834 1.00 20.14 H new ATOM 0 HG22 THR A 3 -1.616 2.544 10.510 1.00 20.14 H new ATOM 0 HG23 THR A 3 -0.874 4.001 11.211 1.00 20.14 H new ATOM 46 N VAL A 4 -0.738 2.487 7.868 1.00 14.42 N ATOM 47 CA VAL A 4 -0.694 1.240 7.116 1.00 32.20 C ATOM 48 C VAL A 4 -0.589 0.038 8.047 1.00 54.22 C ATOM 49 O VAL A 4 -0.527 0.190 9.267 1.00 11.51 O ATOM 50 CB VAL A 4 0.492 1.219 6.133 1.00 73.11 C ATOM 51 CG1 VAL A 4 0.099 0.531 4.835 1.00 3.52 C ATOM 52 CG2 VAL A 4 0.988 2.633 5.866 1.00 51.51 C ATOM 0 H VAL A 4 0.095 2.671 8.427 1.00 14.42 H new ATOM 0 HA VAL A 4 -1.625 1.178 6.553 1.00 32.20 H new ATOM 0 HB VAL A 4 1.305 0.651 6.586 1.00 73.11 H new ATOM 0 HG11 VAL A 4 0.950 0.526 4.154 1.00 3.52 H new ATOM 0 HG12 VAL A 4 -0.204 -0.495 5.044 1.00 3.52 H new ATOM 0 HG13 VAL A 4 -0.731 1.068 4.375 1.00 3.52 H new ATOM 0 HG21 VAL A 4 1.826 2.599 5.170 1.00 51.51 H new ATOM 0 HG22 VAL A 4 0.182 3.226 5.435 1.00 51.51 H new ATOM 0 HG23 VAL A 4 1.312 3.088 6.802 1.00 51.51 H new ATOM 62 N ARG A 5 -0.567 -1.156 7.465 1.00 1.23 N ATOM 63 CA ARG A 5 -0.471 -2.384 8.244 1.00 31.21 C ATOM 64 C ARG A 5 0.224 -3.482 7.442 1.00 1.32 C ATOM 65 O ARG A 5 -0.051 -3.666 6.256 1.00 44.20 O ATOM 66 CB ARG A 5 -1.862 -2.853 8.673 1.00 71.31 C ATOM 67 CG ARG A 5 -1.963 -3.187 10.152 1.00 34.35 C ATOM 68 CD ARG A 5 -2.691 -4.503 10.378 1.00 21.13 C ATOM 69 NE ARG A 5 -2.657 -4.914 11.778 1.00 71.04 N ATOM 70 CZ ARG A 5 -3.475 -5.822 12.298 1.00 33.42 C ATOM 71 NH1 ARG A 5 -4.387 -6.410 11.536 1.00 41.54 N ATOM 72 NH2 ARG A 5 -3.381 -6.143 13.582 1.00 4.23 N ATOM 0 H ARG A 5 -0.614 -1.299 6.456 1.00 1.23 H new ATOM 0 HA ARG A 5 0.123 -2.175 9.134 1.00 31.21 H new ATOM 0 HB2 ARG A 5 -2.588 -2.076 8.434 1.00 71.31 H new ATOM 0 HB3 ARG A 5 -2.135 -3.733 8.091 1.00 71.31 H new ATOM 0 HG2 ARG A 5 -0.963 -3.245 10.582 1.00 34.35 H new ATOM 0 HG3 ARG A 5 -2.488 -2.386 10.672 1.00 34.35 H new ATOM 0 HD2 ARG A 5 -3.727 -4.404 10.054 1.00 21.13 H new ATOM 0 HD3 ARG A 5 -2.237 -5.279 9.761 1.00 21.13 H new ATOM 0 HE ARG A 5 -1.967 -4.480 12.391 1.00 71.04 H new ATOM 0 HH11 ARG A 5 -4.461 -6.165 10.549 1.00 41.54 H new ATOM 0 HH12 ARG A 5 -5.014 -7.107 11.937 1.00 41.54 H new ATOM 0 HH21 ARG A 5 -2.680 -5.692 14.170 1.00 4.23 H new ATOM 0 HH22 ARG A 5 -4.010 -6.840 13.981 1.00 4.23 H new ATOM 83 N TYR A 6 1.122 -4.207 8.099 1.00 25.43 N ATOM 84 CA TYR A 6 1.857 -5.284 7.447 1.00 63.04 C ATOM 85 C TYR A 6 1.837 -6.550 8.298 1.00 3.10 C ATOM 86 O TYR A 6 1.662 -6.491 9.515 1.00 10.30 O ATOM 87 CB TYR A 6 3.302 -4.857 7.182 1.00 41.42 C ATOM 88 CG TYR A 6 3.420 -3.553 6.428 1.00 15.22 C ATOM 89 CD1 TYR A 6 2.650 -3.310 5.298 1.00 21.14 C ATOM 90 CD2 TYR A 6 4.300 -2.563 6.846 1.00 74.12 C ATOM 91 CE1 TYR A 6 2.753 -2.119 4.605 1.00 74.35 C ATOM 92 CE2 TYR A 6 4.410 -1.368 6.161 1.00 23.42 C ATOM 93 CZ TYR A 6 3.636 -1.152 5.040 1.00 31.11 C ATOM 94 OH TYR A 6 3.741 0.036 4.353 1.00 72.11 O ATOM 0 H TYR A 6 1.358 -4.069 9.082 1.00 25.43 H new ATOM 0 HA TYR A 6 1.369 -5.499 6.496 1.00 63.04 H new ATOM 0 HB2 TYR A 6 3.825 -4.765 8.134 1.00 41.42 H new ATOM 0 HB3 TYR A 6 3.805 -5.641 6.616 1.00 41.42 H new ATOM 0 HD1 TYR A 6 1.958 -4.065 4.955 1.00 21.14 H new ATOM 0 HD2 TYR A 6 4.909 -2.730 7.722 1.00 74.12 H new ATOM 0 HE1 TYR A 6 2.146 -1.946 3.728 1.00 74.35 H new ATOM 0 HE2 TYR A 6 5.098 -0.608 6.501 1.00 23.42 H new ATOM 0 HH TYR A 6 4.406 0.609 4.789 1.00 72.11 H new ATOM 103 N TYR A 7 2.019 -7.695 7.649 1.00 31.23 N ATOM 104 CA TYR A 7 2.020 -8.976 8.344 1.00 4.21 C ATOM 105 C TYR A 7 3.386 -9.647 8.248 1.00 63.21 C ATOM 106 O TYR A 7 4.320 -9.098 7.665 1.00 65.24 O ATOM 107 CB TYR A 7 0.945 -9.897 7.763 1.00 35.01 C ATOM 108 CG TYR A 7 -0.338 -9.911 8.564 1.00 32.01 C ATOM 109 CD1 TYR A 7 -0.959 -8.726 8.939 1.00 41.55 C ATOM 110 CD2 TYR A 7 -0.930 -11.110 8.943 1.00 75.33 C ATOM 111 CE1 TYR A 7 -2.130 -8.735 9.671 1.00 2.24 C ATOM 112 CE2 TYR A 7 -2.101 -11.127 9.674 1.00 3.24 C ATOM 113 CZ TYR A 7 -2.698 -9.938 10.036 1.00 33.34 C ATOM 114 OH TYR A 7 -3.865 -9.951 10.764 1.00 13.44 O ATOM 0 H TYR A 7 2.168 -7.762 6.642 1.00 31.23 H new ATOM 0 HA TYR A 7 1.800 -8.790 9.395 1.00 4.21 H new ATOM 0 HB2 TYR A 7 0.723 -9.584 6.743 1.00 35.01 H new ATOM 0 HB3 TYR A 7 1.339 -10.912 7.707 1.00 35.01 H new ATOM 0 HD1 TYR A 7 -0.519 -7.782 8.653 1.00 41.55 H new ATOM 0 HD2 TYR A 7 -0.466 -12.044 8.661 1.00 75.33 H new ATOM 0 HE1 TYR A 7 -2.599 -7.805 9.956 1.00 2.24 H new ATOM 0 HE2 TYR A 7 -2.548 -12.068 9.961 1.00 3.24 H new ATOM 0 HH TYR A 7 -4.132 -10.878 10.937 1.00 13.44 H new ATOM 123 N ALA A 8 3.494 -10.840 8.825 1.00 64.32 N ATOM 124 CA ALA A 8 4.745 -11.589 8.802 1.00 63.23 C ATOM 125 C ALA A 8 5.278 -11.726 7.380 1.00 35.34 C ATOM 126 O ALA A 8 6.485 -11.835 7.166 1.00 75.41 O ATOM 127 CB ALA A 8 4.550 -12.961 9.428 1.00 2.31 C ATOM 0 H ALA A 8 2.731 -11.308 9.314 1.00 64.32 H new ATOM 0 HA ALA A 8 5.481 -11.036 9.386 1.00 63.23 H new ATOM 0 HB1 ALA A 8 5.492 -13.509 9.404 1.00 2.31 H new ATOM 0 HB2 ALA A 8 4.223 -12.846 10.461 1.00 2.31 H new ATOM 0 HB3 ALA A 8 3.795 -13.513 8.868 1.00 2.31 H new ATOM 133 N THR A 9 4.369 -11.719 6.409 1.00 52.41 N ATOM 134 CA THR A 9 4.747 -11.844 5.008 1.00 64.31 C ATOM 135 C THR A 9 5.463 -10.591 4.517 1.00 52.24 C ATOM 136 O THR A 9 6.417 -10.671 3.741 1.00 4.35 O ATOM 137 CB THR A 9 3.519 -12.102 4.115 1.00 11.23 C ATOM 138 OG1 THR A 9 2.526 -11.095 4.345 1.00 60.53 O ATOM 139 CG2 THR A 9 2.927 -13.476 4.391 1.00 61.02 C ATOM 0 H THR A 9 3.366 -11.628 6.569 1.00 52.41 H new ATOM 0 HA THR A 9 5.423 -12.696 4.939 1.00 64.31 H new ATOM 0 HB THR A 9 3.841 -12.065 3.074 1.00 11.23 H new ATOM 0 HG1 THR A 9 1.749 -11.265 3.772 1.00 60.53 H new ATOM 0 HG21 THR A 9 2.061 -13.635 3.748 1.00 61.02 H new ATOM 0 HG22 THR A 9 3.675 -14.242 4.188 1.00 61.02 H new ATOM 0 HG23 THR A 9 2.620 -13.537 5.435 1.00 61.02 H new ATOM 147 N LEU A 10 5.000 -9.433 4.975 1.00 1.04 N ATOM 148 CA LEU A 10 5.597 -8.161 4.583 1.00 30.22 C ATOM 149 C LEU A 10 6.693 -7.751 5.560 1.00 14.15 C ATOM 150 O LEU A 10 7.361 -6.734 5.368 1.00 42.43 O ATOM 151 CB LEU A 10 4.525 -7.072 4.513 1.00 54.42 C ATOM 152 CG LEU A 10 3.619 -7.099 3.282 1.00 55.33 C ATOM 153 CD1 LEU A 10 4.449 -7.064 2.008 1.00 41.34 C ATOM 154 CD2 LEU A 10 2.725 -8.329 3.304 1.00 12.54 C ATOM 0 H LEU A 10 4.213 -9.349 5.618 1.00 1.04 H new ATOM 0 HA LEU A 10 6.044 -8.285 3.596 1.00 30.22 H new ATOM 0 HB2 LEU A 10 3.899 -7.149 5.402 1.00 54.42 H new ATOM 0 HB3 LEU A 10 5.019 -6.101 4.554 1.00 54.42 H new ATOM 0 HG LEU A 10 2.984 -6.213 3.303 1.00 55.33 H new ATOM 0 HD11 LEU A 10 3.787 -7.084 1.142 1.00 41.34 H new ATOM 0 HD12 LEU A 10 5.046 -6.152 1.988 1.00 41.34 H new ATOM 0 HD13 LEU A 10 5.109 -7.931 1.980 1.00 41.34 H new ATOM 0 HD21 LEU A 10 2.087 -8.331 2.420 1.00 12.54 H new ATOM 0 HD22 LEU A 10 3.342 -9.227 3.308 1.00 12.54 H new ATOM 0 HD23 LEU A 10 2.104 -8.311 4.200 1.00 12.54 H new ATOM 165 N ARG A 11 6.874 -8.548 6.608 1.00 62.53 N ATOM 166 CA ARG A 11 7.891 -8.269 7.614 1.00 12.13 C ATOM 167 C ARG A 11 9.279 -8.209 6.984 1.00 61.32 C ATOM 168 O ARG A 11 9.979 -7.199 7.060 1.00 63.41 O ATOM 169 CB ARG A 11 7.862 -9.336 8.709 1.00 11.20 C ATOM 170 CG ARG A 11 7.598 -8.778 10.098 1.00 34.21 C ATOM 171 CD ARG A 11 8.894 -8.517 10.849 1.00 54.13 C ATOM 172 NE ARG A 11 8.656 -7.923 12.162 1.00 72.31 N ATOM 173 CZ ARG A 11 9.608 -7.742 13.071 1.00 55.22 C ATOM 174 NH1 ARG A 11 10.855 -8.108 12.810 1.00 43.24 N ATOM 175 NH2 ARG A 11 9.313 -7.194 14.243 1.00 62.12 N ATOM 0 H ARG A 11 6.329 -9.392 6.782 1.00 62.53 H new ATOM 0 HA ARG A 11 7.670 -7.298 8.057 1.00 12.13 H new ATOM 0 HB2 ARG A 11 7.092 -10.069 8.469 1.00 11.20 H new ATOM 0 HB3 ARG A 11 8.815 -9.865 8.714 1.00 11.20 H new ATOM 0 HG2 ARG A 11 7.030 -7.851 10.017 1.00 34.21 H new ATOM 0 HG3 ARG A 11 6.984 -9.480 10.663 1.00 34.21 H new ATOM 0 HD2 ARG A 11 9.439 -9.454 10.968 1.00 54.13 H new ATOM 0 HD3 ARG A 11 9.527 -7.853 10.260 1.00 54.13 H new ATOM 0 HE ARG A 11 7.707 -7.631 12.394 1.00 72.31 H new ATOM 0 HH11 ARG A 11 11.085 -8.529 11.910 1.00 43.24 H new ATOM 0 HH12 ARG A 11 11.584 -7.968 13.509 1.00 43.24 H new ATOM 0 HH21 ARG A 11 8.354 -6.911 14.447 1.00 62.12 H new ATOM 0 HH22 ARG A 11 10.045 -7.056 14.940 1.00 62.12 H new ATOM 186 N PRO A 12 9.688 -9.316 6.347 1.00 71.11 N ATOM 187 CA PRO A 12 10.995 -9.415 5.691 1.00 65.20 C ATOM 188 C PRO A 12 11.084 -8.545 4.441 1.00 43.34 C ATOM 189 O PRO A 12 12.138 -8.455 3.811 1.00 14.43 O ATOM 190 CB PRO A 12 11.094 -10.897 5.319 1.00 41.21 C ATOM 191 CG PRO A 12 9.681 -11.354 5.206 1.00 22.12 C ATOM 192 CD PRO A 12 8.905 -10.557 6.217 1.00 14.22 C ATOM 0 HA PRO A 12 11.802 -9.068 6.336 1.00 65.20 H new ATOM 0 HB2 PRO A 12 11.631 -11.035 4.380 1.00 41.21 H new ATOM 0 HB3 PRO A 12 11.633 -11.461 6.080 1.00 41.21 H new ATOM 0 HG2 PRO A 12 9.297 -11.188 4.200 1.00 22.12 H new ATOM 0 HG3 PRO A 12 9.599 -12.422 5.406 1.00 22.12 H new ATOM 0 HD2 PRO A 12 7.889 -10.357 5.877 1.00 14.22 H new ATOM 0 HD3 PRO A 12 8.825 -11.083 7.168 1.00 14.22 H new ATOM 197 N ILE A 13 9.972 -7.908 4.090 1.00 55.23 N ATOM 198 CA ILE A 13 9.927 -7.043 2.917 1.00 24.35 C ATOM 199 C ILE A 13 10.104 -5.580 3.305 1.00 32.51 C ATOM 200 O ILE A 13 10.992 -4.894 2.797 1.00 35.12 O ATOM 201 CB ILE A 13 8.600 -7.203 2.152 1.00 61.11 C ATOM 202 CG1 ILE A 13 8.181 -8.674 2.116 1.00 2.20 C ATOM 203 CG2 ILE A 13 8.732 -6.649 0.741 1.00 22.22 C ATOM 204 CD1 ILE A 13 6.986 -8.940 1.226 1.00 73.35 C ATOM 0 H ILE A 13 9.091 -7.974 4.600 1.00 55.23 H new ATOM 0 HA ILE A 13 10.750 -7.346 2.269 1.00 24.35 H new ATOM 0 HB ILE A 13 7.827 -6.637 2.672 1.00 61.11 H new ATOM 0 HG12 ILE A 13 9.022 -9.275 1.770 1.00 2.20 H new ATOM 0 HG13 ILE A 13 7.950 -9.003 3.129 1.00 2.20 H new ATOM 0 HG21 ILE A 13 7.786 -6.769 0.213 1.00 22.22 H new ATOM 0 HG22 ILE A 13 8.989 -5.591 0.788 1.00 22.22 H new ATOM 0 HG23 ILE A 13 9.515 -7.189 0.210 1.00 22.22 H new ATOM 0 HD11 ILE A 13 6.745 -10.003 1.249 1.00 73.35 H new ATOM 0 HD12 ILE A 13 6.131 -8.366 1.584 1.00 73.35 H new ATOM 0 HD13 ILE A 13 7.220 -8.643 0.204 1.00 73.35 H new ATOM 215 N THR A 14 9.254 -5.105 4.211 1.00 64.23 N ATOM 216 CA THR A 14 9.317 -3.723 4.669 1.00 61.31 C ATOM 217 C THR A 14 10.647 -3.431 5.354 1.00 71.00 C ATOM 218 O THR A 14 11.024 -2.273 5.531 1.00 14.31 O ATOM 219 CB THR A 14 8.168 -3.403 5.643 1.00 74.10 C ATOM 220 OG1 THR A 14 8.258 -4.241 6.800 1.00 3.11 O ATOM 221 CG2 THR A 14 6.818 -3.599 4.972 1.00 11.24 C ATOM 0 H THR A 14 8.513 -5.658 4.642 1.00 64.23 H new ATOM 0 HA THR A 14 9.221 -3.091 3.786 1.00 61.31 H new ATOM 0 HB THR A 14 8.257 -2.359 5.944 1.00 74.10 H new ATOM 0 HG1 THR A 14 8.358 -3.684 7.600 1.00 3.11 H new ATOM 0 HG21 THR A 14 6.023 -3.367 5.680 1.00 11.24 H new ATOM 0 HG22 THR A 14 6.741 -2.937 4.110 1.00 11.24 H new ATOM 0 HG23 THR A 14 6.721 -4.634 4.644 1.00 11.24 H new ATOM 229 N LYS A 15 11.355 -4.488 5.738 1.00 4.14 N ATOM 230 CA LYS A 15 12.644 -4.345 6.402 1.00 74.42 C ATOM 231 C LYS A 15 12.500 -3.573 7.710 1.00 61.11 C ATOM 232 O LYS A 15 13.469 -3.009 8.220 1.00 32.50 O ATOM 233 CB LYS A 15 13.639 -3.632 5.483 1.00 32.33 C ATOM 234 CG LYS A 15 15.077 -4.079 5.679 1.00 34.04 C ATOM 235 CD LYS A 15 15.910 -3.839 4.430 1.00 50.43 C ATOM 236 CE LYS A 15 17.102 -4.783 4.367 1.00 54.32 C ATOM 237 NZ LYS A 15 16.723 -6.121 3.838 1.00 45.30 N ATOM 0 H LYS A 15 11.057 -5.454 5.600 1.00 4.14 H new ATOM 0 HA LYS A 15 13.020 -5.343 6.629 1.00 74.42 H new ATOM 0 HB2 LYS A 15 13.352 -3.806 4.446 1.00 32.33 H new ATOM 0 HB3 LYS A 15 13.575 -2.558 5.656 1.00 32.33 H new ATOM 0 HG2 LYS A 15 15.515 -3.540 6.519 1.00 34.04 H new ATOM 0 HG3 LYS A 15 15.098 -5.139 5.934 1.00 34.04 H new ATOM 0 HD2 LYS A 15 15.289 -3.976 3.545 1.00 50.43 H new ATOM 0 HD3 LYS A 15 16.260 -2.807 4.417 1.00 50.43 H new ATOM 0 HE2 LYS A 15 17.876 -4.349 3.734 1.00 54.32 H new ATOM 0 HE3 LYS A 15 17.530 -4.894 5.363 1.00 54.32 H new ATOM 0 HZ1 LYS A 15 17.563 -6.734 3.811 1.00 45.30 H new ATOM 0 HZ2 LYS A 15 16.003 -6.547 4.455 1.00 45.30 H new ATOM 0 HZ3 LYS A 15 16.338 -6.018 2.877 1.00 45.30 H new ATOM 247 N LYS A 16 11.286 -3.553 8.249 1.00 12.12 N ATOM 248 CA LYS A 16 11.016 -2.853 9.498 1.00 12.24 C ATOM 249 C LYS A 16 9.541 -2.959 9.873 1.00 11.24 C ATOM 250 O LYS A 16 8.792 -3.735 9.278 1.00 72.30 O ATOM 251 CB LYS A 16 11.417 -1.381 9.379 1.00 15.21 C ATOM 252 CG LYS A 16 12.306 -0.899 10.514 1.00 1.31 C ATOM 253 CD LYS A 16 13.260 0.189 10.051 1.00 53.22 C ATOM 254 CE LYS A 16 14.567 -0.398 9.539 1.00 11.22 C ATOM 255 NZ LYS A 16 15.650 0.623 9.488 1.00 44.14 N ATOM 0 H LYS A 16 10.473 -4.014 7.840 1.00 12.12 H new ATOM 0 HA LYS A 16 11.608 -3.323 10.284 1.00 12.24 H new ATOM 0 HB2 LYS A 16 11.936 -1.230 8.433 1.00 15.21 H new ATOM 0 HB3 LYS A 16 10.516 -0.769 9.349 1.00 15.21 H new ATOM 0 HG2 LYS A 16 11.687 -0.519 11.327 1.00 1.31 H new ATOM 0 HG3 LYS A 16 12.876 -1.738 10.913 1.00 1.31 H new ATOM 0 HD2 LYS A 16 12.789 0.776 9.262 1.00 53.22 H new ATOM 0 HD3 LYS A 16 13.465 0.871 10.876 1.00 53.22 H new ATOM 0 HE2 LYS A 16 14.873 -1.221 10.185 1.00 11.22 H new ATOM 0 HE3 LYS A 16 14.413 -0.814 8.544 1.00 11.22 H new ATOM 0 HZ1 LYS A 16 16.524 0.184 9.134 1.00 44.14 H new ATOM 0 HZ2 LYS A 16 15.369 1.396 8.852 1.00 44.14 H new ATOM 0 HZ3 LYS A 16 15.815 1.002 10.442 1.00 44.14 H new ATOM 265 N LYS A 17 9.127 -2.174 10.863 1.00 72.41 N ATOM 266 CA LYS A 17 7.742 -2.178 11.315 1.00 54.24 C ATOM 267 C LYS A 17 6.911 -1.165 10.533 1.00 63.11 C ATOM 268 O LYS A 17 7.349 -0.656 9.502 1.00 22.23 O ATOM 269 CB LYS A 17 7.672 -1.862 12.811 1.00 60.03 C ATOM 270 CG LYS A 17 7.957 -0.408 13.140 1.00 54.23 C ATOM 271 CD LYS A 17 8.002 -0.173 14.641 1.00 63.44 C ATOM 272 CE LYS A 17 6.607 0.005 15.220 1.00 32.21 C ATOM 273 NZ LYS A 17 6.647 0.339 16.671 1.00 22.50 N ATOM 0 H LYS A 17 9.733 -1.527 11.367 1.00 72.41 H new ATOM 0 HA LYS A 17 7.332 -3.172 11.139 1.00 54.24 H new ATOM 0 HB2 LYS A 17 6.681 -2.122 13.183 1.00 60.03 H new ATOM 0 HB3 LYS A 17 8.386 -2.492 13.341 1.00 60.03 H new ATOM 0 HG2 LYS A 17 8.908 -0.114 12.696 1.00 54.23 H new ATOM 0 HG3 LYS A 17 7.188 0.224 12.695 1.00 54.23 H new ATOM 0 HD2 LYS A 17 8.494 -1.015 15.127 1.00 63.44 H new ATOM 0 HD3 LYS A 17 8.601 0.712 14.854 1.00 63.44 H new ATOM 0 HE2 LYS A 17 6.088 0.796 14.679 1.00 32.21 H new ATOM 0 HE3 LYS A 17 6.034 -0.910 15.074 1.00 32.21 H new ATOM 0 HZ1 LYS A 17 5.677 0.452 17.028 1.00 22.50 H new ATOM 0 HZ2 LYS A 17 7.120 -0.428 17.191 1.00 22.50 H new ATOM 0 HZ3 LYS A 17 7.172 1.226 16.809 1.00 22.50 H new ATOM 283 N GLU A 18 5.712 -0.880 11.030 1.00 72.12 N ATOM 284 CA GLU A 18 4.821 0.072 10.377 1.00 61.10 C ATOM 285 C GLU A 18 4.737 1.373 11.171 1.00 45.01 C ATOM 286 O GLU A 18 4.942 1.384 12.384 1.00 51.33 O ATOM 287 CB GLU A 18 3.425 -0.531 10.215 1.00 2.34 C ATOM 288 CG GLU A 18 2.444 0.387 9.505 1.00 24.04 C ATOM 289 CD GLU A 18 1.723 1.320 10.458 1.00 64.21 C ATOM 290 OE1 GLU A 18 1.450 0.904 11.603 1.00 1.01 O ATOM 291 OE2 GLU A 18 1.432 2.467 10.058 1.00 52.30 O ATOM 0 H GLU A 18 5.335 -1.294 11.882 1.00 72.12 H new ATOM 0 HA GLU A 18 5.229 0.295 9.391 1.00 61.10 H new ATOM 0 HB2 GLU A 18 3.504 -1.465 9.658 1.00 2.34 H new ATOM 0 HB3 GLU A 18 3.029 -0.780 11.200 1.00 2.34 H new ATOM 0 HG2 GLU A 18 2.978 0.977 8.760 1.00 24.04 H new ATOM 0 HG3 GLU A 18 1.711 -0.216 8.969 1.00 24.04 H new ATOM 296 N GLU A 19 4.435 2.465 10.476 1.00 25.10 N ATOM 297 CA GLU A 19 4.326 3.770 11.116 1.00 1.14 C ATOM 298 C GLU A 19 3.412 4.694 10.315 1.00 71.44 C ATOM 299 O GLU A 19 3.110 4.431 9.151 1.00 31.54 O ATOM 300 CB GLU A 19 5.708 4.407 11.266 1.00 54.23 C ATOM 301 CG GLU A 19 5.821 5.345 12.457 1.00 12.05 C ATOM 302 CD GLU A 19 7.231 5.422 13.009 1.00 2.33 C ATOM 303 OE1 GLU A 19 7.898 4.369 13.081 1.00 24.11 O ATOM 304 OE2 GLU A 19 7.667 6.535 13.368 1.00 20.42 O ATOM 0 H GLU A 19 4.262 2.472 9.471 1.00 25.10 H new ATOM 0 HA GLU A 19 3.892 3.625 12.105 1.00 1.14 H new ATOM 0 HB2 GLU A 19 6.454 3.618 11.364 1.00 54.23 H new ATOM 0 HB3 GLU A 19 5.945 4.959 10.356 1.00 54.23 H new ATOM 0 HG2 GLU A 19 5.496 6.342 12.161 1.00 12.05 H new ATOM 0 HG3 GLU A 19 5.145 5.010 13.244 1.00 12.05 H new ATOM 309 N THR A 20 2.976 5.779 10.947 1.00 2.11 N ATOM 310 CA THR A 20 2.096 6.742 10.296 1.00 65.20 C ATOM 311 C THR A 20 2.879 7.949 9.793 1.00 61.21 C ATOM 312 O THR A 20 3.716 8.500 10.508 1.00 71.10 O ATOM 313 CB THR A 20 0.987 7.224 11.249 1.00 3.24 C ATOM 314 OG1 THR A 20 1.548 7.560 12.523 1.00 54.31 O ATOM 315 CG2 THR A 20 -0.079 6.152 11.426 1.00 34.40 C ATOM 0 H THR A 20 3.218 6.013 11.910 1.00 2.11 H new ATOM 0 HA THR A 20 1.639 6.230 9.449 1.00 65.20 H new ATOM 0 HB THR A 20 0.522 8.108 10.812 1.00 3.24 H new ATOM 0 HG1 THR A 20 0.837 7.867 13.123 1.00 54.31 H new ATOM 0 HG21 THR A 20 -0.852 6.516 12.103 1.00 34.40 H new ATOM 0 HG22 THR A 20 -0.525 5.919 10.459 1.00 34.40 H new ATOM 0 HG23 THR A 20 0.375 5.253 11.843 1.00 34.40 H new ATOM 323 N PHE A 21 2.602 8.355 8.558 1.00 72.11 N ATOM 324 CA PHE A 21 3.281 9.498 7.959 1.00 73.13 C ATOM 325 C PHE A 21 2.284 10.420 7.264 1.00 61.52 C ATOM 326 O PHE A 21 1.311 9.962 6.666 1.00 11.51 O ATOM 327 CB PHE A 21 4.338 9.024 6.959 1.00 2.44 C ATOM 328 CG PHE A 21 3.757 8.478 5.687 1.00 23.32 C ATOM 329 CD1 PHE A 21 3.380 7.148 5.596 1.00 10.35 C ATOM 330 CD2 PHE A 21 3.587 9.295 4.581 1.00 11.24 C ATOM 331 CE1 PHE A 21 2.845 6.643 4.426 1.00 53.23 C ATOM 332 CE2 PHE A 21 3.052 8.795 3.407 1.00 55.40 C ATOM 333 CZ PHE A 21 2.680 7.468 3.331 1.00 33.04 C ATOM 0 H PHE A 21 1.912 7.909 7.953 1.00 72.11 H new ATOM 0 HA PHE A 21 3.770 10.057 8.757 1.00 73.13 H new ATOM 0 HB2 PHE A 21 4.999 9.857 6.719 1.00 2.44 H new ATOM 0 HB3 PHE A 21 4.952 8.255 7.428 1.00 2.44 H new ATOM 0 HD1 PHE A 21 3.506 6.498 6.449 1.00 10.35 H new ATOM 0 HD2 PHE A 21 3.875 10.334 4.636 1.00 11.24 H new ATOM 0 HE1 PHE A 21 2.556 5.604 4.368 1.00 53.23 H new ATOM 0 HE2 PHE A 21 2.926 9.442 2.552 1.00 55.40 H new ATOM 0 HZ PHE A 21 2.260 7.075 2.416 1.00 33.04 H new ATOM 342 N ASN A 22 2.535 11.723 7.347 1.00 3.05 N ATOM 343 CA ASN A 22 1.659 12.710 6.727 1.00 32.42 C ATOM 344 C ASN A 22 2.242 13.201 5.405 1.00 11.33 C ATOM 345 O ASN A 22 3.430 13.029 5.137 1.00 54.03 O ATOM 346 CB ASN A 22 1.440 13.894 7.672 1.00 23.11 C ATOM 347 CG ASN A 22 2.696 14.721 7.862 1.00 33.55 C ATOM 348 OD1 ASN A 22 3.134 15.424 6.949 1.00 51.43 O ATOM 349 ND2 ASN A 22 3.283 14.643 9.050 1.00 62.10 N ATOM 0 H ASN A 22 3.337 12.119 7.837 1.00 3.05 H new ATOM 0 HA ASN A 22 0.700 12.232 6.526 1.00 32.42 H new ATOM 0 HB2 ASN A 22 0.647 14.529 7.277 1.00 23.11 H new ATOM 0 HB3 ASN A 22 1.101 13.525 8.640 1.00 23.11 H new ATOM 0 HD21 ASN A 22 4.131 15.178 9.236 1.00 62.10 H new ATOM 0 HD22 ASN A 22 2.886 14.048 9.777 1.00 62.10 H new ATOM 355 N GLY A 23 1.396 13.815 4.583 1.00 24.21 N ATOM 356 CA GLY A 23 1.846 14.322 3.299 1.00 15.23 C ATOM 357 C GLY A 23 1.014 13.799 2.145 1.00 50.31 C ATOM 358 O GLY A 23 0.476 14.577 1.356 1.00 70.03 O ATOM 0 H GLY A 23 0.408 13.970 4.783 1.00 24.21 H new ATOM 0 HA2 GLY A 23 1.806 15.411 3.308 1.00 15.23 H new ATOM 0 HA3 GLY A 23 2.889 14.043 3.147 1.00 15.23 H new ATOM 362 N ILE A 24 0.908 12.479 2.045 1.00 3.14 N ATOM 363 CA ILE A 24 0.135 11.853 0.979 1.00 32.02 C ATOM 364 C ILE A 24 -1.220 11.375 1.490 1.00 22.52 C ATOM 365 O ILE A 24 -1.313 10.767 2.555 1.00 44.14 O ATOM 366 CB ILE A 24 0.890 10.661 0.362 1.00 21.31 C ATOM 367 CG1 ILE A 24 2.144 11.146 -0.368 1.00 23.11 C ATOM 368 CG2 ILE A 24 -0.019 9.893 -0.587 1.00 44.53 C ATOM 369 CD1 ILE A 24 1.853 12.126 -1.482 1.00 22.14 C ATOM 0 H ILE A 24 1.348 11.822 2.689 1.00 3.14 H new ATOM 0 HA ILE A 24 -0.017 12.612 0.212 1.00 32.02 H new ATOM 0 HB ILE A 24 1.197 9.989 1.164 1.00 21.31 H new ATOM 0 HG12 ILE A 24 2.815 11.615 0.352 1.00 23.11 H new ATOM 0 HG13 ILE A 24 2.670 10.285 -0.780 1.00 23.11 H new ATOM 0 HG21 ILE A 24 0.528 9.053 -1.015 1.00 44.53 H new ATOM 0 HG22 ILE A 24 -0.885 9.520 -0.040 1.00 44.53 H new ATOM 0 HG23 ILE A 24 -0.352 10.555 -1.387 1.00 44.53 H new ATOM 0 HD11 ILE A 24 2.788 12.427 -1.955 1.00 22.14 H new ATOM 0 HD12 ILE A 24 1.207 11.654 -2.222 1.00 22.14 H new ATOM 0 HD13 ILE A 24 1.354 13.004 -1.073 1.00 22.14 H new ATOM 380 N SER A 25 -2.267 11.652 0.720 1.00 24.22 N ATOM 381 CA SER A 25 -3.618 11.251 1.095 1.00 13.01 C ATOM 382 C SER A 25 -4.319 10.551 -0.066 1.00 12.44 C ATOM 383 O SER A 25 -5.498 10.789 -0.330 1.00 3.40 O ATOM 384 CB SER A 25 -4.431 12.470 1.535 1.00 12.34 C ATOM 385 OG SER A 25 -4.169 12.796 2.889 1.00 3.23 O ATOM 0 H SER A 25 -2.206 12.152 -0.167 1.00 24.22 H new ATOM 0 HA SER A 25 -3.545 10.552 1.928 1.00 13.01 H new ATOM 0 HB2 SER A 25 -4.189 13.322 0.899 1.00 12.34 H new ATOM 0 HB3 SER A 25 -5.494 12.268 1.405 1.00 12.34 H new ATOM 0 HG SER A 25 -4.699 13.579 3.145 1.00 3.23 H new ATOM 390 N LYS A 26 -3.584 9.687 -0.758 1.00 4.21 N ATOM 391 CA LYS A 26 -4.133 8.950 -1.890 1.00 22.10 C ATOM 392 C LYS A 26 -3.407 7.621 -2.077 1.00 42.22 C ATOM 393 O LYS A 26 -2.241 7.482 -1.706 1.00 14.40 O ATOM 394 CB LYS A 26 -4.028 9.784 -3.167 1.00 73.41 C ATOM 395 CG LYS A 26 -5.085 10.871 -3.273 1.00 62.24 C ATOM 396 CD LYS A 26 -5.150 11.450 -4.676 1.00 31.42 C ATOM 397 CE LYS A 26 -6.082 10.646 -5.569 1.00 5.44 C ATOM 398 NZ LYS A 26 -7.509 11.024 -5.365 1.00 51.54 N ATOM 0 H LYS A 26 -2.606 9.480 -0.555 1.00 4.21 H new ATOM 0 HA LYS A 26 -5.183 8.745 -1.683 1.00 22.10 H new ATOM 0 HB2 LYS A 26 -3.041 10.244 -3.211 1.00 73.41 H new ATOM 0 HB3 LYS A 26 -4.110 9.123 -4.030 1.00 73.41 H new ATOM 0 HG2 LYS A 26 -6.058 10.461 -3.002 1.00 62.24 H new ATOM 0 HG3 LYS A 26 -4.864 11.666 -2.560 1.00 62.24 H new ATOM 0 HD2 LYS A 26 -5.492 12.484 -4.628 1.00 31.42 H new ATOM 0 HD3 LYS A 26 -4.151 11.465 -5.111 1.00 31.42 H new ATOM 0 HE2 LYS A 26 -5.810 10.803 -6.613 1.00 5.44 H new ATOM 0 HE3 LYS A 26 -5.955 9.583 -5.363 1.00 5.44 H new ATOM 0 HZ1 LYS A 26 -8.116 10.201 -5.552 1.00 51.54 H new ATOM 0 HZ2 LYS A 26 -7.647 11.341 -4.384 1.00 51.54 H new ATOM 0 HZ3 LYS A 26 -7.761 11.795 -6.017 1.00 51.54 H new ATOM 408 N ILE A 27 -4.103 6.648 -2.655 1.00 32.44 N ATOM 409 CA ILE A 27 -3.524 5.332 -2.895 1.00 41.42 C ATOM 410 C ILE A 27 -2.472 5.387 -3.997 1.00 71.13 C ATOM 411 O ILE A 27 -1.532 4.592 -4.012 1.00 40.12 O ATOM 412 CB ILE A 27 -4.603 4.303 -3.280 1.00 51.11 C ATOM 413 CG1 ILE A 27 -5.488 3.984 -2.074 1.00 20.14 C ATOM 414 CG2 ILE A 27 -3.957 3.035 -3.820 1.00 55.12 C ATOM 415 CD1 ILE A 27 -4.759 3.268 -0.960 1.00 63.45 C ATOM 0 H ILE A 27 -5.069 6.746 -2.966 1.00 32.44 H new ATOM 0 HA ILE A 27 -3.054 5.020 -1.963 1.00 41.42 H new ATOM 0 HB ILE A 27 -5.229 4.731 -4.063 1.00 51.11 H new ATOM 0 HG12 ILE A 27 -5.906 4.913 -1.685 1.00 20.14 H new ATOM 0 HG13 ILE A 27 -6.326 3.370 -2.402 1.00 20.14 H new ATOM 0 HG21 ILE A 27 -4.732 2.317 -4.088 1.00 55.12 H new ATOM 0 HG22 ILE A 27 -3.365 3.276 -4.703 1.00 55.12 H new ATOM 0 HG23 ILE A 27 -3.310 2.603 -3.057 1.00 55.12 H new ATOM 0 HD11 ILE A 27 -5.449 3.075 -0.139 1.00 63.45 H new ATOM 0 HD12 ILE A 27 -4.364 2.323 -1.332 1.00 63.45 H new ATOM 0 HD13 ILE A 27 -3.937 3.890 -0.605 1.00 63.45 H new ATOM 426 N SER A 28 -2.636 6.330 -4.918 1.00 34.31 N ATOM 427 CA SER A 28 -1.702 6.488 -6.027 1.00 54.33 C ATOM 428 C SER A 28 -0.310 6.846 -5.516 1.00 71.25 C ATOM 429 O SER A 28 0.672 6.178 -5.840 1.00 60.32 O ATOM 430 CB SER A 28 -2.197 7.568 -6.990 1.00 23.03 C ATOM 431 OG SER A 28 -1.112 8.237 -7.608 1.00 54.22 O ATOM 0 H SER A 28 -3.408 6.997 -4.919 1.00 34.31 H new ATOM 0 HA SER A 28 -1.643 5.538 -6.558 1.00 54.33 H new ATOM 0 HB2 SER A 28 -2.832 7.116 -7.753 1.00 23.03 H new ATOM 0 HB3 SER A 28 -2.812 8.288 -6.449 1.00 23.03 H new ATOM 0 HG SER A 28 -1.455 8.921 -8.220 1.00 54.22 H new ATOM 436 N GLU A 29 -0.233 7.906 -4.716 1.00 24.14 N ATOM 437 CA GLU A 29 1.039 8.353 -4.162 1.00 70.01 C ATOM 438 C GLU A 29 1.499 7.428 -3.039 1.00 73.21 C ATOM 439 O GLU A 29 2.698 7.251 -2.817 1.00 31.04 O ATOM 440 CB GLU A 29 0.916 9.786 -3.639 1.00 74.35 C ATOM 441 CG GLU A 29 1.234 10.844 -4.682 1.00 51.13 C ATOM 442 CD GLU A 29 2.720 10.962 -4.961 1.00 12.51 C ATOM 443 OE1 GLU A 29 3.521 10.611 -4.069 1.00 13.00 O ATOM 444 OE2 GLU A 29 3.082 11.404 -6.071 1.00 22.23 O ATOM 0 H GLU A 29 -1.036 8.470 -4.438 1.00 24.14 H new ATOM 0 HA GLU A 29 1.783 8.326 -4.958 1.00 70.01 H new ATOM 0 HB2 GLU A 29 -0.098 9.944 -3.271 1.00 74.35 H new ATOM 0 HB3 GLU A 29 1.587 9.912 -2.789 1.00 74.35 H new ATOM 0 HG2 GLU A 29 0.712 10.604 -5.608 1.00 51.13 H new ATOM 0 HG3 GLU A 29 0.854 11.808 -4.343 1.00 51.13 H new ATOM 449 N LEU A 30 0.539 6.840 -2.334 1.00 34.42 N ATOM 450 CA LEU A 30 0.844 5.932 -1.234 1.00 12.10 C ATOM 451 C LEU A 30 1.489 4.650 -1.748 1.00 63.42 C ATOM 452 O LEU A 30 2.538 4.229 -1.257 1.00 12.12 O ATOM 453 CB LEU A 30 -0.429 5.599 -0.454 1.00 32.12 C ATOM 454 CG LEU A 30 -0.268 4.612 0.702 1.00 43.23 C ATOM 455 CD1 LEU A 30 0.052 5.349 1.994 1.00 62.31 C ATOM 456 CD2 LEU A 30 -1.526 3.770 0.864 1.00 71.14 C ATOM 0 H LEU A 30 -0.457 6.976 -2.505 1.00 34.42 H new ATOM 0 HA LEU A 30 1.550 6.430 -0.570 1.00 12.10 H new ATOM 0 HB2 LEU A 30 -0.842 6.527 -0.058 1.00 32.12 H new ATOM 0 HB3 LEU A 30 -1.163 5.195 -1.151 1.00 32.12 H new ATOM 0 HG LEU A 30 0.564 3.946 0.472 1.00 43.23 H new ATOM 0 HD11 LEU A 30 0.163 4.630 2.805 1.00 62.31 H new ATOM 0 HD12 LEU A 30 0.981 5.907 1.874 1.00 62.31 H new ATOM 0 HD13 LEU A 30 -0.758 6.039 2.229 1.00 62.31 H new ATOM 0 HD21 LEU A 30 -1.393 3.073 1.691 1.00 71.14 H new ATOM 0 HD22 LEU A 30 -2.375 4.421 1.071 1.00 71.14 H new ATOM 0 HD23 LEU A 30 -1.711 3.212 -0.054 1.00 71.14 H new ATOM 467 N LEU A 31 0.858 4.034 -2.742 1.00 65.23 N ATOM 468 CA LEU A 31 1.372 2.800 -3.325 1.00 25.41 C ATOM 469 C LEU A 31 2.628 3.069 -4.149 1.00 24.11 C ATOM 470 O LEU A 31 3.555 2.259 -4.167 1.00 15.12 O ATOM 471 CB LEU A 31 0.304 2.143 -4.202 1.00 32.24 C ATOM 472 CG LEU A 31 -0.796 1.382 -3.462 1.00 64.11 C ATOM 473 CD1 LEU A 31 -1.789 0.787 -4.448 1.00 23.14 C ATOM 474 CD2 LEU A 31 -0.195 0.292 -2.586 1.00 74.13 C ATOM 0 H LEU A 31 -0.010 4.369 -3.161 1.00 65.23 H new ATOM 0 HA LEU A 31 1.631 2.123 -2.511 1.00 25.41 H new ATOM 0 HB2 LEU A 31 -0.164 2.916 -4.811 1.00 32.24 H new ATOM 0 HB3 LEU A 31 0.798 1.453 -4.886 1.00 32.24 H new ATOM 0 HG LEU A 31 -1.328 2.084 -2.820 1.00 64.11 H new ATOM 0 HD11 LEU A 31 -2.565 0.249 -3.903 1.00 23.14 H new ATOM 0 HD12 LEU A 31 -2.244 1.586 -5.033 1.00 23.14 H new ATOM 0 HD13 LEU A 31 -1.271 0.099 -5.116 1.00 23.14 H new ATOM 0 HD21 LEU A 31 -0.993 -0.239 -2.067 1.00 74.13 H new ATOM 0 HD22 LEU A 31 0.362 -0.409 -3.208 1.00 74.13 H new ATOM 0 HD23 LEU A 31 0.477 0.742 -1.855 1.00 74.13 H new ATOM 485 N GLU A 32 2.650 4.210 -4.830 1.00 52.32 N ATOM 486 CA GLU A 32 3.793 4.586 -5.654 1.00 11.00 C ATOM 487 C GLU A 32 5.034 4.809 -4.795 1.00 10.32 C ATOM 488 O GLU A 32 6.131 4.377 -5.146 1.00 44.44 O ATOM 489 CB GLU A 32 3.478 5.852 -6.454 1.00 64.33 C ATOM 490 CG GLU A 32 4.679 6.417 -7.195 1.00 4.12 C ATOM 491 CD GLU A 32 4.282 7.269 -8.384 1.00 31.23 C ATOM 492 OE1 GLU A 32 3.486 8.215 -8.197 1.00 42.24 O ATOM 493 OE2 GLU A 32 4.765 6.992 -9.501 1.00 63.51 O ATOM 0 H GLU A 32 1.890 4.890 -4.828 1.00 52.32 H new ATOM 0 HA GLU A 32 3.994 3.768 -6.346 1.00 11.00 H new ATOM 0 HB2 GLU A 32 2.689 5.631 -7.173 1.00 64.33 H new ATOM 0 HB3 GLU A 32 3.088 6.612 -5.777 1.00 64.33 H new ATOM 0 HG2 GLU A 32 5.277 7.015 -6.508 1.00 4.12 H new ATOM 0 HG3 GLU A 32 5.310 5.596 -7.535 1.00 4.12 H new ATOM 498 N ARG A 33 4.851 5.488 -3.667 1.00 14.40 N ATOM 499 CA ARG A 33 5.955 5.771 -2.757 1.00 34.42 C ATOM 500 C ARG A 33 6.290 4.546 -1.912 1.00 55.11 C ATOM 501 O ARG A 33 7.438 4.352 -1.509 1.00 61.33 O ATOM 502 CB ARG A 33 5.606 6.952 -1.850 1.00 43.42 C ATOM 503 CG ARG A 33 6.822 7.695 -1.321 1.00 3.42 C ATOM 504 CD ARG A 33 7.262 8.793 -2.276 1.00 64.23 C ATOM 505 NE ARG A 33 8.176 9.738 -1.640 1.00 72.23 N ATOM 506 CZ ARG A 33 7.775 10.733 -0.856 1.00 63.43 C ATOM 507 NH1 ARG A 33 6.484 10.910 -0.612 1.00 60.45 N ATOM 508 NH2 ARG A 33 8.667 11.552 -0.313 1.00 65.35 N ATOM 0 H ARG A 33 3.949 5.852 -3.361 1.00 14.40 H new ATOM 0 HA ARG A 33 6.830 6.028 -3.355 1.00 34.42 H new ATOM 0 HB2 ARG A 33 4.977 7.650 -2.402 1.00 43.42 H new ATOM 0 HB3 ARG A 33 5.017 6.590 -1.007 1.00 43.42 H new ATOM 0 HG2 ARG A 33 6.590 8.129 -0.348 1.00 3.42 H new ATOM 0 HG3 ARG A 33 7.642 6.993 -1.170 1.00 3.42 H new ATOM 0 HD2 ARG A 33 7.748 8.346 -3.143 1.00 64.23 H new ATOM 0 HD3 ARG A 33 6.385 9.327 -2.643 1.00 64.23 H new ATOM 0 HE ARG A 33 9.176 9.628 -1.807 1.00 72.23 H new ATOM 0 HH11 ARG A 33 5.796 10.282 -1.026 1.00 60.45 H new ATOM 0 HH12 ARG A 33 6.179 11.675 -0.010 1.00 60.45 H new ATOM 0 HH21 ARG A 33 9.661 11.418 -0.497 1.00 65.35 H new ATOM 0 HH22 ARG A 33 8.358 12.316 0.289 1.00 65.35 H new ATOM 519 N LEU A 34 5.282 3.724 -1.645 1.00 70.21 N ATOM 520 CA LEU A 34 5.469 2.518 -0.846 1.00 4.23 C ATOM 521 C LEU A 34 6.195 1.441 -1.647 1.00 15.45 C ATOM 522 O LEU A 34 7.188 0.876 -1.191 1.00 53.40 O ATOM 523 CB LEU A 34 4.118 1.987 -0.363 1.00 34.24 C ATOM 524 CG LEU A 34 4.145 0.641 0.361 1.00 70.44 C ATOM 525 CD1 LEU A 34 4.875 0.765 1.690 1.00 13.53 C ATOM 526 CD2 LEU A 34 2.731 0.120 0.572 1.00 51.03 C ATOM 0 H LEU A 34 4.326 3.870 -1.970 1.00 70.21 H new ATOM 0 HA LEU A 34 6.081 2.776 0.018 1.00 4.23 H new ATOM 0 HB2 LEU A 34 3.677 2.727 0.305 1.00 34.24 H new ATOM 0 HB3 LEU A 34 3.456 1.900 -1.224 1.00 34.24 H new ATOM 0 HG LEU A 34 4.684 -0.074 -0.261 1.00 70.44 H new ATOM 0 HD11 LEU A 34 4.884 -0.203 2.192 1.00 13.53 H new ATOM 0 HD12 LEU A 34 5.900 1.092 1.513 1.00 13.53 H new ATOM 0 HD13 LEU A 34 4.365 1.495 2.319 1.00 13.53 H new ATOM 0 HD21 LEU A 34 2.770 -0.839 1.089 1.00 51.03 H new ATOM 0 HD22 LEU A 34 2.166 0.833 1.173 1.00 51.03 H new ATOM 0 HD23 LEU A 34 2.242 -0.008 -0.394 1.00 51.03 H new ATOM 537 N LYS A 35 5.692 1.164 -2.846 1.00 75.13 N ATOM 538 CA LYS A 35 6.294 0.158 -3.714 1.00 12.43 C ATOM 539 C LYS A 35 7.772 0.454 -3.946 1.00 2.11 C ATOM 540 O LYS A 35 8.600 -0.457 -3.971 1.00 75.20 O ATOM 541 CB LYS A 35 5.557 0.106 -5.053 1.00 21.54 C ATOM 542 CG LYS A 35 5.784 1.332 -5.922 1.00 43.23 C ATOM 543 CD LYS A 35 4.972 1.265 -7.205 1.00 42.30 C ATOM 544 CE LYS A 35 5.796 0.713 -8.357 1.00 61.42 C ATOM 545 NZ LYS A 35 4.941 0.062 -9.388 1.00 15.23 N ATOM 0 H LYS A 35 4.869 1.622 -3.238 1.00 75.13 H new ATOM 0 HA LYS A 35 6.209 -0.810 -3.221 1.00 12.43 H new ATOM 0 HB2 LYS A 35 5.877 -0.781 -5.600 1.00 21.54 H new ATOM 0 HB3 LYS A 35 4.489 -0.003 -4.866 1.00 21.54 H new ATOM 0 HG2 LYS A 35 5.513 2.229 -5.365 1.00 43.23 H new ATOM 0 HG3 LYS A 35 6.843 1.416 -6.165 1.00 43.23 H new ATOM 0 HD2 LYS A 35 4.095 0.637 -7.050 1.00 42.30 H new ATOM 0 HD3 LYS A 35 4.609 2.261 -7.460 1.00 42.30 H new ATOM 0 HE2 LYS A 35 6.366 1.521 -8.815 1.00 61.42 H new ATOM 0 HE3 LYS A 35 6.517 -0.009 -7.974 1.00 61.42 H new ATOM 0 HZ1 LYS A 35 5.399 -0.811 -9.718 1.00 15.23 H new ATOM 0 HZ2 LYS A 35 4.014 -0.168 -8.976 1.00 15.23 H new ATOM 0 HZ3 LYS A 35 4.811 0.710 -10.191 1.00 15.23 H new ATOM 555 N VAL A 36 8.097 1.732 -4.112 1.00 40.11 N ATOM 556 CA VAL A 36 9.476 2.147 -4.339 1.00 1.22 C ATOM 557 C VAL A 36 10.280 2.113 -3.044 1.00 60.12 C ATOM 558 O VAL A 36 11.468 1.793 -3.049 1.00 53.22 O ATOM 559 CB VAL A 36 9.545 3.565 -4.936 1.00 33.25 C ATOM 560 CG1 VAL A 36 8.940 4.578 -3.977 1.00 32.13 C ATOM 561 CG2 VAL A 36 10.981 3.931 -5.275 1.00 73.32 C ATOM 0 H VAL A 36 7.424 2.498 -4.094 1.00 40.11 H new ATOM 0 HA VAL A 36 9.906 1.441 -5.049 1.00 1.22 H new ATOM 0 HB VAL A 36 8.963 3.581 -5.858 1.00 33.25 H new ATOM 0 HG11 VAL A 36 8.998 5.574 -4.416 1.00 32.13 H new ATOM 0 HG12 VAL A 36 7.897 4.324 -3.790 1.00 32.13 H new ATOM 0 HG13 VAL A 36 9.491 4.563 -3.037 1.00 32.13 H new ATOM 0 HG21 VAL A 36 11.011 4.936 -5.696 1.00 73.32 H new ATOM 0 HG22 VAL A 36 11.588 3.898 -4.370 1.00 73.32 H new ATOM 0 HG23 VAL A 36 11.375 3.221 -6.002 1.00 73.32 H new ATOM 571 N GLU A 37 9.623 2.445 -1.937 1.00 51.12 N ATOM 572 CA GLU A 37 10.278 2.452 -0.634 1.00 30.01 C ATOM 573 C GLU A 37 11.000 1.133 -0.380 1.00 61.44 C ATOM 574 O GLU A 37 12.175 1.116 -0.013 1.00 42.34 O ATOM 575 CB GLU A 37 9.255 2.708 0.474 1.00 4.22 C ATOM 576 CG GLU A 37 9.271 4.134 1.000 1.00 3.42 C ATOM 577 CD GLU A 37 7.959 4.530 1.649 1.00 15.23 C ATOM 578 OE1 GLU A 37 7.463 3.764 2.500 1.00 41.42 O ATOM 579 OE2 GLU A 37 7.429 5.607 1.305 1.00 31.22 O ATOM 0 H GLU A 37 8.639 2.712 -1.916 1.00 51.12 H new ATOM 0 HA GLU A 37 11.015 3.255 -0.631 1.00 30.01 H new ATOM 0 HB2 GLU A 37 8.258 2.480 0.096 1.00 4.22 H new ATOM 0 HB3 GLU A 37 9.447 2.023 1.300 1.00 4.22 H new ATOM 0 HG2 GLU A 37 10.078 4.241 1.725 1.00 3.42 H new ATOM 0 HG3 GLU A 37 9.487 4.818 0.179 1.00 3.42 H new ATOM 584 N TYR A 38 10.289 0.028 -0.579 1.00 12.40 N ATOM 585 CA TYR A 38 10.859 -1.297 -0.368 1.00 62.42 C ATOM 586 C TYR A 38 11.443 -1.851 -1.665 1.00 11.33 C ATOM 587 O TYR A 38 12.487 -2.500 -1.661 1.00 24.33 O ATOM 588 CB TYR A 38 9.796 -2.253 0.175 1.00 23.04 C ATOM 589 CG TYR A 38 9.057 -1.715 1.379 1.00 12.31 C ATOM 590 CD1 TYR A 38 9.721 -0.990 2.361 1.00 63.22 C ATOM 591 CD2 TYR A 38 7.693 -1.930 1.534 1.00 0.23 C ATOM 592 CE1 TYR A 38 9.049 -0.498 3.463 1.00 53.05 C ATOM 593 CE2 TYR A 38 7.012 -1.440 2.632 1.00 41.45 C ATOM 594 CZ TYR A 38 7.696 -0.725 3.594 1.00 20.34 C ATOM 595 OH TYR A 38 7.023 -0.235 4.690 1.00 31.33 O ATOM 0 H TYR A 38 9.316 0.024 -0.886 1.00 12.40 H new ATOM 0 HA TYR A 38 11.663 -1.207 0.363 1.00 62.42 H new ATOM 0 HB2 TYR A 38 9.077 -2.470 -0.615 1.00 23.04 H new ATOM 0 HB3 TYR A 38 10.271 -3.197 0.442 1.00 23.04 H new ATOM 0 HD1 TYR A 38 10.781 -0.808 2.261 1.00 63.22 H new ATOM 0 HD2 TYR A 38 7.156 -2.490 0.783 1.00 0.23 H new ATOM 0 HE1 TYR A 38 9.581 0.062 4.218 1.00 53.05 H new ATOM 0 HE2 TYR A 38 5.951 -1.615 2.737 1.00 41.45 H new ATOM 0 HH TYR A 38 6.242 -0.798 4.872 1.00 31.33 H new ATOM 604 N GLY A 39 10.758 -1.587 -2.774 1.00 50.11 N ATOM 605 CA GLY A 39 11.222 -2.066 -4.064 1.00 54.03 C ATOM 606 C GLY A 39 10.153 -2.833 -4.817 1.00 12.20 C ATOM 607 O GLY A 39 9.032 -2.986 -4.331 1.00 21.44 O ATOM 0 H GLY A 39 9.891 -1.051 -2.802 1.00 50.11 H new ATOM 0 HA2 GLY A 39 11.549 -1.219 -4.666 1.00 54.03 H new ATOM 0 HA3 GLY A 39 12.091 -2.708 -3.919 1.00 54.03 H new ATOM 611 N SER A 40 10.500 -3.314 -6.006 1.00 13.24 N ATOM 612 CA SER A 40 9.559 -4.064 -6.830 1.00 63.23 C ATOM 613 C SER A 40 9.106 -5.334 -6.117 1.00 11.35 C ATOM 614 O SER A 40 7.976 -5.790 -6.297 1.00 34.21 O ATOM 615 CB SER A 40 10.198 -4.421 -8.175 1.00 53.35 C ATOM 616 OG SER A 40 9.987 -3.393 -9.128 1.00 4.33 O ATOM 0 H SER A 40 11.425 -3.198 -6.420 1.00 13.24 H new ATOM 0 HA SER A 40 8.686 -3.435 -7.006 1.00 63.23 H new ATOM 0 HB2 SER A 40 11.267 -4.584 -8.041 1.00 53.35 H new ATOM 0 HB3 SER A 40 9.777 -5.356 -8.545 1.00 53.35 H new ATOM 0 HG SER A 40 10.406 -3.644 -9.978 1.00 4.33 H new ATOM 621 N GLU A 41 9.995 -5.901 -5.308 1.00 5.32 N ATOM 622 CA GLU A 41 9.686 -7.119 -4.569 1.00 41.40 C ATOM 623 C GLU A 41 8.369 -6.977 -3.810 1.00 60.52 C ATOM 624 O GLU A 41 7.584 -7.921 -3.724 1.00 41.03 O ATOM 625 CB GLU A 41 10.816 -7.449 -3.591 1.00 54.54 C ATOM 626 CG GLU A 41 11.897 -8.335 -4.187 1.00 71.01 C ATOM 627 CD GLU A 41 12.915 -7.551 -4.993 1.00 1.40 C ATOM 628 OE1 GLU A 41 13.350 -6.480 -4.520 1.00 41.32 O ATOM 629 OE2 GLU A 41 13.276 -8.009 -6.098 1.00 14.54 O ATOM 0 H GLU A 41 10.934 -5.537 -5.148 1.00 5.32 H new ATOM 0 HA GLU A 41 9.586 -7.933 -5.287 1.00 41.40 H new ATOM 0 HB2 GLU A 41 11.269 -6.520 -3.245 1.00 54.54 H new ATOM 0 HB3 GLU A 41 10.395 -7.943 -2.715 1.00 54.54 H new ATOM 0 HG2 GLU A 41 12.407 -8.869 -3.385 1.00 71.01 H new ATOM 0 HG3 GLU A 41 11.434 -9.087 -4.826 1.00 71.01 H new ATOM 634 N PHE A 42 8.134 -5.789 -3.263 1.00 5.10 N ATOM 635 CA PHE A 42 6.914 -5.523 -2.511 1.00 14.32 C ATOM 636 C PHE A 42 5.723 -5.349 -3.450 1.00 73.15 C ATOM 637 O PHE A 42 4.650 -5.911 -3.223 1.00 75.03 O ATOM 638 CB PHE A 42 7.084 -4.270 -1.648 1.00 20.34 C ATOM 639 CG PHE A 42 5.811 -3.815 -0.994 1.00 0.21 C ATOM 640 CD1 PHE A 42 5.419 -4.339 0.228 1.00 34.22 C ATOM 641 CD2 PHE A 42 5.006 -2.864 -1.600 1.00 43.33 C ATOM 642 CE1 PHE A 42 4.248 -3.922 0.834 1.00 72.43 C ATOM 643 CE2 PHE A 42 3.834 -2.443 -0.999 1.00 64.13 C ATOM 644 CZ PHE A 42 3.455 -2.974 0.218 1.00 53.30 C ATOM 0 H PHE A 42 8.772 -4.996 -3.326 1.00 5.10 H new ATOM 0 HA PHE A 42 6.722 -6.379 -1.864 1.00 14.32 H new ATOM 0 HB2 PHE A 42 7.829 -4.468 -0.877 1.00 20.34 H new ATOM 0 HB3 PHE A 42 7.474 -3.462 -2.267 1.00 20.34 H new ATOM 0 HD1 PHE A 42 6.035 -5.082 0.713 1.00 34.22 H new ATOM 0 HD2 PHE A 42 5.297 -2.447 -2.553 1.00 43.33 H new ATOM 0 HE1 PHE A 42 3.954 -4.337 1.787 1.00 72.43 H new ATOM 0 HE2 PHE A 42 3.216 -1.700 -1.481 1.00 64.13 H new ATOM 0 HZ PHE A 42 2.539 -2.648 0.688 1.00 53.30 H new ATOM 653 N THR A 43 5.920 -4.565 -4.506 1.00 2.12 N ATOM 654 CA THR A 43 4.863 -4.315 -5.479 1.00 52.34 C ATOM 655 C THR A 43 4.327 -5.621 -6.056 1.00 12.41 C ATOM 656 O THR A 43 3.119 -5.788 -6.221 1.00 24.03 O ATOM 657 CB THR A 43 5.361 -3.424 -6.632 1.00 31.30 C ATOM 658 OG1 THR A 43 6.614 -2.825 -6.282 1.00 75.15 O ATOM 659 CG2 THR A 43 4.347 -2.339 -6.954 1.00 34.14 C ATOM 0 H THR A 43 6.801 -4.093 -4.709 1.00 2.12 H new ATOM 0 HA THR A 43 4.062 -3.799 -4.950 1.00 52.34 H new ATOM 0 HB THR A 43 5.492 -4.050 -7.515 1.00 31.30 H new ATOM 0 HG1 THR A 43 6.909 -2.236 -7.008 1.00 75.15 H new ATOM 0 HG21 THR A 43 4.721 -1.722 -7.771 1.00 34.14 H new ATOM 0 HG22 THR A 43 3.403 -2.799 -7.248 1.00 34.14 H new ATOM 0 HG23 THR A 43 4.188 -1.717 -6.073 1.00 34.14 H new ATOM 667 N LYS A 44 5.232 -6.544 -6.360 1.00 54.13 N ATOM 668 CA LYS A 44 4.850 -7.837 -6.916 1.00 53.03 C ATOM 669 C LYS A 44 4.241 -8.732 -5.842 1.00 65.22 C ATOM 670 O LYS A 44 3.441 -9.618 -6.142 1.00 65.30 O ATOM 671 CB LYS A 44 6.066 -8.525 -7.541 1.00 51.12 C ATOM 672 CG LYS A 44 6.773 -7.681 -8.587 1.00 0.04 C ATOM 673 CD LYS A 44 8.161 -8.217 -8.892 1.00 30.10 C ATOM 674 CE LYS A 44 8.776 -7.519 -10.095 1.00 45.11 C ATOM 675 NZ LYS A 44 8.406 -8.187 -11.373 1.00 23.43 N ATOM 0 H LYS A 44 6.236 -6.421 -6.231 1.00 54.13 H new ATOM 0 HA LYS A 44 4.100 -7.666 -7.689 1.00 53.03 H new ATOM 0 HB2 LYS A 44 6.774 -8.779 -6.752 1.00 51.12 H new ATOM 0 HB3 LYS A 44 5.748 -9.462 -7.997 1.00 51.12 H new ATOM 0 HG2 LYS A 44 6.180 -7.662 -9.502 1.00 0.04 H new ATOM 0 HG3 LYS A 44 6.849 -6.652 -8.235 1.00 0.04 H new ATOM 0 HD2 LYS A 44 8.804 -8.080 -8.023 1.00 30.10 H new ATOM 0 HD3 LYS A 44 8.105 -9.289 -9.081 1.00 30.10 H new ATOM 0 HE2 LYS A 44 8.447 -6.480 -10.120 1.00 45.11 H new ATOM 0 HE3 LYS A 44 9.861 -7.507 -9.992 1.00 45.11 H new ATOM 0 HZ1 LYS A 44 8.845 -7.681 -12.169 1.00 23.43 H new ATOM 0 HZ2 LYS A 44 8.742 -9.171 -11.360 1.00 23.43 H new ATOM 0 HZ3 LYS A 44 7.372 -8.176 -11.484 1.00 23.43 H new ATOM 685 N GLN A 45 4.624 -8.495 -4.593 1.00 3.40 N ATOM 686 CA GLN A 45 4.113 -9.281 -3.475 1.00 62.15 C ATOM 687 C GLN A 45 2.726 -8.803 -3.062 1.00 52.31 C ATOM 688 O GLN A 45 1.953 -9.552 -2.464 1.00 74.44 O ATOM 689 CB GLN A 45 5.071 -9.195 -2.284 1.00 22.13 C ATOM 690 CG GLN A 45 4.809 -10.245 -1.217 1.00 30.22 C ATOM 691 CD GLN A 45 5.644 -11.496 -1.410 1.00 33.21 C ATOM 692 OE1 GLN A 45 6.062 -11.810 -2.525 1.00 3.11 O ATOM 693 NE2 GLN A 45 5.892 -12.216 -0.323 1.00 61.22 N ATOM 0 H GLN A 45 5.286 -7.766 -4.328 1.00 3.40 H new ATOM 0 HA GLN A 45 4.038 -10.319 -3.798 1.00 62.15 H new ATOM 0 HB2 GLN A 45 6.095 -9.301 -2.643 1.00 22.13 H new ATOM 0 HB3 GLN A 45 4.992 -8.205 -1.835 1.00 22.13 H new ATOM 0 HG2 GLN A 45 5.020 -9.820 -0.236 1.00 30.22 H new ATOM 0 HG3 GLN A 45 3.752 -10.513 -1.228 1.00 30.22 H new ATOM 0 HE21 GLN A 45 5.525 -11.918 0.581 1.00 61.22 H new ATOM 0 HE22 GLN A 45 6.449 -13.068 -0.391 1.00 61.22 H new ATOM 700 N MET A 46 2.416 -7.551 -3.384 1.00 21.23 N ATOM 701 CA MET A 46 1.120 -6.974 -3.047 1.00 72.41 C ATOM 702 C MET A 46 0.309 -6.685 -4.307 1.00 12.11 C ATOM 703 O MET A 46 -0.777 -6.110 -4.239 1.00 53.02 O ATOM 704 CB MET A 46 1.306 -5.688 -2.240 1.00 32.15 C ATOM 705 CG MET A 46 1.759 -4.504 -3.079 1.00 73.04 C ATOM 706 SD MET A 46 0.507 -3.212 -3.194 1.00 24.14 S ATOM 707 CE MET A 46 0.328 -2.759 -1.470 1.00 23.41 C ATOM 0 H MET A 46 3.044 -6.917 -3.878 1.00 21.23 H new ATOM 0 HA MET A 46 0.573 -7.698 -2.443 1.00 72.41 H new ATOM 0 HB2 MET A 46 0.365 -5.437 -1.750 1.00 32.15 H new ATOM 0 HB3 MET A 46 2.038 -5.866 -1.452 1.00 32.15 H new ATOM 0 HG2 MET A 46 2.668 -4.085 -2.648 1.00 73.04 H new ATOM 0 HG3 MET A 46 2.011 -4.850 -4.081 1.00 73.04 H new ATOM 0 HE1 MET A 46 -0.720 -2.550 -1.256 1.00 23.41 H new ATOM 0 HE2 MET A 46 0.671 -3.580 -0.841 1.00 23.41 H new ATOM 0 HE3 MET A 46 0.925 -1.870 -1.263 1.00 23.41 H new ATOM 715 N TYR A 47 0.843 -7.088 -5.454 1.00 72.44 N ATOM 716 CA TYR A 47 0.171 -6.869 -6.730 1.00 1.41 C ATOM 717 C TYR A 47 0.978 -7.463 -7.880 1.00 3.33 C ATOM 718 O TYR A 47 2.008 -6.917 -8.277 1.00 4.14 O ATOM 719 CB TYR A 47 -0.049 -5.374 -6.964 1.00 64.41 C ATOM 720 CG TYR A 47 -1.370 -5.053 -7.627 1.00 11.30 C ATOM 721 CD1 TYR A 47 -2.573 -5.414 -7.032 1.00 35.14 C ATOM 722 CD2 TYR A 47 -1.415 -4.389 -8.846 1.00 72.54 C ATOM 723 CE1 TYR A 47 -3.782 -5.122 -7.634 1.00 3.13 C ATOM 724 CE2 TYR A 47 -2.619 -4.093 -9.454 1.00 23.53 C ATOM 725 CZ TYR A 47 -3.800 -4.462 -8.845 1.00 64.44 C ATOM 726 OH TYR A 47 -5.002 -4.170 -9.447 1.00 31.22 O ATOM 0 H TYR A 47 1.740 -7.568 -5.527 1.00 72.44 H new ATOM 0 HA TYR A 47 -0.796 -7.370 -6.693 1.00 1.41 H new ATOM 0 HB2 TYR A 47 0.004 -4.853 -6.008 1.00 64.41 H new ATOM 0 HB3 TYR A 47 0.762 -4.988 -7.582 1.00 64.41 H new ATOM 0 HD1 TYR A 47 -2.563 -5.931 -6.084 1.00 35.14 H new ATOM 0 HD2 TYR A 47 -0.492 -4.099 -9.327 1.00 72.54 H new ATOM 0 HE1 TYR A 47 -4.708 -5.409 -7.159 1.00 3.13 H new ATOM 0 HE2 TYR A 47 -2.636 -3.575 -10.402 1.00 23.53 H new ATOM 0 HH TYR A 47 -5.161 -4.799 -10.182 1.00 31.22 H new ATOM 735 N ASP A 48 0.502 -8.584 -8.410 1.00 30.44 N ATOM 736 CA ASP A 48 1.177 -9.253 -9.517 1.00 2.21 C ATOM 737 C ASP A 48 0.470 -8.966 -10.838 1.00 12.45 C ATOM 738 O ASP A 48 -0.429 -9.701 -11.244 1.00 24.23 O ATOM 739 CB ASP A 48 1.233 -10.761 -9.271 1.00 65.20 C ATOM 740 CG ASP A 48 1.944 -11.504 -10.386 1.00 11.41 C ATOM 741 OD1 ASP A 48 3.165 -11.299 -10.550 1.00 34.12 O ATOM 742 OD2 ASP A 48 1.279 -12.288 -11.095 1.00 31.24 O ATOM 0 H ASP A 48 -0.348 -9.049 -8.092 1.00 30.44 H new ATOM 0 HA ASP A 48 2.194 -8.865 -9.578 1.00 2.21 H new ATOM 0 HB2 ASP A 48 1.743 -10.953 -8.327 1.00 65.20 H new ATOM 0 HB3 ASP A 48 0.219 -11.148 -9.170 1.00 65.20 H new ATOM 746 N GLY A 49 0.882 -7.891 -11.503 1.00 21.14 N ATOM 747 CA GLY A 49 0.275 -7.525 -12.770 1.00 61.34 C ATOM 748 C GLY A 49 -0.975 -6.687 -12.594 1.00 32.21 C ATOM 749 O GLY A 49 -0.899 -5.463 -12.489 1.00 21.41 O ATOM 0 H GLY A 49 1.625 -7.267 -11.187 1.00 21.14 H new ATOM 0 HA2 GLY A 49 0.998 -6.972 -13.369 1.00 61.34 H new ATOM 0 HA3 GLY A 49 0.027 -8.430 -13.325 1.00 61.34 H new ATOM 753 N ASN A 50 -2.128 -7.346 -12.563 1.00 74.32 N ATOM 754 CA ASN A 50 -3.401 -6.652 -12.402 1.00 75.35 C ATOM 755 C ASN A 50 -4.104 -7.097 -11.123 1.00 71.21 C ATOM 756 O ASN A 50 -5.073 -6.477 -10.688 1.00 55.33 O ATOM 757 CB ASN A 50 -4.304 -6.911 -13.610 1.00 52.14 C ATOM 758 CG ASN A 50 -3.533 -6.914 -14.916 1.00 1.35 C ATOM 759 OD1 ASN A 50 -2.818 -5.963 -15.231 1.00 53.41 O ATOM 760 ND2 ASN A 50 -3.678 -7.987 -15.685 1.00 40.24 N ATOM 0 H ASN A 50 -2.208 -8.359 -12.647 1.00 74.32 H new ATOM 0 HA ASN A 50 -3.198 -5.583 -12.332 1.00 75.35 H new ATOM 0 HB2 ASN A 50 -4.807 -7.870 -13.486 1.00 52.14 H new ATOM 0 HB3 ASN A 50 -5.080 -6.147 -13.651 1.00 52.14 H new ATOM 0 HD21 ASN A 50 -3.186 -8.046 -16.577 1.00 40.24 H new ATOM 0 HD22 ASN A 50 -4.281 -8.752 -15.384 1.00 40.24 H new ATOM 766 N ASN A 51 -3.608 -8.176 -10.526 1.00 5.42 N ATOM 767 CA ASN A 51 -4.189 -8.705 -9.297 1.00 31.33 C ATOM 768 C ASN A 51 -3.113 -9.319 -8.407 1.00 72.40 C ATOM 769 O ASN A 51 -2.004 -9.607 -8.862 1.00 25.25 O ATOM 770 CB ASN A 51 -5.257 -9.751 -9.622 1.00 44.44 C ATOM 771 CG ASN A 51 -6.526 -9.130 -10.172 1.00 4.52 C ATOM 772 OD1 ASN A 51 -7.210 -8.373 -9.482 1.00 71.24 O ATOM 773 ND2 ASN A 51 -6.848 -9.450 -11.420 1.00 40.30 N ATOM 0 H ASN A 51 -2.805 -8.701 -10.873 1.00 5.42 H new ATOM 0 HA ASN A 51 -4.652 -7.878 -8.758 1.00 31.33 H new ATOM 0 HB2 ASN A 51 -4.858 -10.460 -10.348 1.00 44.44 H new ATOM 0 HB3 ASN A 51 -5.494 -10.317 -8.721 1.00 44.44 H new ATOM 0 HD21 ASN A 51 -7.692 -9.064 -11.844 1.00 40.30 H new ATOM 0 HD22 ASN A 51 -6.251 -10.081 -11.955 1.00 40.30 H new ATOM 779 N LEU A 52 -3.445 -9.518 -7.137 1.00 21.14 N ATOM 780 CA LEU A 52 -2.508 -10.099 -6.182 1.00 45.14 C ATOM 781 C LEU A 52 -1.876 -11.369 -6.744 1.00 45.22 C ATOM 782 O LEU A 52 -2.427 -12.003 -7.645 1.00 53.43 O ATOM 783 CB LEU A 52 -3.219 -10.410 -4.864 1.00 73.31 C ATOM 784 CG LEU A 52 -3.940 -9.237 -4.198 1.00 12.03 C ATOM 785 CD1 LEU A 52 -3.281 -7.920 -4.577 1.00 22.32 C ATOM 786 CD2 LEU A 52 -5.412 -9.229 -4.582 1.00 2.14 C ATOM 0 H LEU A 52 -4.357 -9.285 -6.744 1.00 21.14 H new ATOM 0 HA LEU A 52 -1.717 -9.372 -5.998 1.00 45.14 H new ATOM 0 HB2 LEU A 52 -3.946 -11.202 -5.044 1.00 73.31 H new ATOM 0 HB3 LEU A 52 -2.484 -10.805 -4.162 1.00 73.31 H new ATOM 0 HG LEU A 52 -3.868 -9.357 -3.117 1.00 12.03 H new ATOM 0 HD11 LEU A 52 -3.808 -7.097 -4.094 1.00 22.32 H new ATOM 0 HD12 LEU A 52 -2.241 -7.926 -4.251 1.00 22.32 H new ATOM 0 HD13 LEU A 52 -3.321 -7.791 -5.659 1.00 22.32 H new ATOM 0 HD21 LEU A 52 -5.909 -8.388 -4.099 1.00 2.14 H new ATOM 0 HD22 LEU A 52 -5.505 -9.133 -5.664 1.00 2.14 H new ATOM 0 HD23 LEU A 52 -5.877 -10.160 -4.259 1.00 2.14 H new ATOM 797 N PHE A 53 -0.719 -11.737 -6.204 1.00 35.22 N ATOM 798 CA PHE A 53 -0.012 -12.932 -6.650 1.00 21.13 C ATOM 799 C PHE A 53 -0.651 -14.190 -6.068 1.00 51.33 C ATOM 800 O PHE A 53 -1.194 -15.020 -6.798 1.00 15.53 O ATOM 801 CB PHE A 53 1.461 -12.860 -6.245 1.00 33.33 C ATOM 802 CG PHE A 53 2.293 -13.974 -6.812 1.00 71.43 C ATOM 803 CD1 PHE A 53 2.256 -15.240 -6.251 1.00 32.24 C ATOM 804 CD2 PHE A 53 3.116 -13.755 -7.906 1.00 13.12 C ATOM 805 CE1 PHE A 53 3.020 -16.267 -6.772 1.00 65.22 C ATOM 806 CE2 PHE A 53 3.882 -14.778 -8.431 1.00 51.13 C ATOM 807 CZ PHE A 53 3.835 -16.035 -7.863 1.00 40.42 C ATOM 0 H PHE A 53 -0.251 -11.225 -5.457 1.00 35.22 H new ATOM 0 HA PHE A 53 -0.080 -12.980 -7.737 1.00 21.13 H new ATOM 0 HB2 PHE A 53 1.874 -11.906 -6.573 1.00 33.33 H new ATOM 0 HB3 PHE A 53 1.532 -12.881 -5.158 1.00 33.33 H new ATOM 0 HD1 PHE A 53 1.623 -15.427 -5.396 1.00 32.24 H new ATOM 0 HD2 PHE A 53 3.159 -12.773 -8.353 1.00 13.12 H new ATOM 0 HE1 PHE A 53 2.980 -17.250 -6.327 1.00 65.22 H new ATOM 0 HE2 PHE A 53 4.517 -14.594 -9.285 1.00 51.13 H new ATOM 0 HZ PHE A 53 4.434 -16.836 -8.271 1.00 40.42 H new ATOM 816 N LYS A 54 -0.580 -14.325 -4.748 1.00 4.10 N ATOM 817 CA LYS A 54 -1.150 -15.480 -4.065 1.00 2.41 C ATOM 818 C LYS A 54 -2.620 -15.245 -3.734 1.00 15.53 C ATOM 819 O LYS A 54 -3.488 -16.025 -4.125 1.00 45.44 O ATOM 820 CB LYS A 54 -0.369 -15.778 -2.783 1.00 32.31 C ATOM 821 CG LYS A 54 -0.912 -16.962 -2.002 1.00 63.22 C ATOM 822 CD LYS A 54 -0.706 -18.267 -2.754 1.00 51.44 C ATOM 823 CE LYS A 54 0.738 -18.736 -2.671 1.00 60.50 C ATOM 824 NZ LYS A 54 0.901 -20.123 -3.189 1.00 21.53 N ATOM 0 H LYS A 54 -0.133 -13.648 -4.130 1.00 4.10 H new ATOM 0 HA LYS A 54 -1.079 -16.338 -4.734 1.00 2.41 H new ATOM 0 HB2 LYS A 54 0.673 -15.969 -3.038 1.00 32.31 H new ATOM 0 HB3 LYS A 54 -0.384 -14.895 -2.145 1.00 32.31 H new ATOM 0 HG2 LYS A 54 -0.417 -17.018 -1.032 1.00 63.22 H new ATOM 0 HG3 LYS A 54 -1.975 -16.816 -1.809 1.00 63.22 H new ATOM 0 HD2 LYS A 54 -1.363 -19.033 -2.342 1.00 51.44 H new ATOM 0 HD3 LYS A 54 -0.987 -18.134 -3.799 1.00 51.44 H new ATOM 0 HE2 LYS A 54 1.373 -18.058 -3.241 1.00 60.50 H new ATOM 0 HE3 LYS A 54 1.075 -18.693 -1.635 1.00 60.50 H new ATOM 0 HZ1 LYS A 54 1.899 -20.406 -3.115 1.00 21.53 H new ATOM 0 HZ2 LYS A 54 0.314 -20.774 -2.629 1.00 21.53 H new ATOM 0 HZ3 LYS A 54 0.604 -20.159 -4.185 1.00 21.53 H new ATOM 834 N ASN A 55 -2.894 -14.163 -3.011 1.00 31.33 N ATOM 835 CA ASN A 55 -4.260 -13.825 -2.628 1.00 62.12 C ATOM 836 C ASN A 55 -4.270 -12.814 -1.486 1.00 12.32 C ATOM 837 O ASN A 55 -4.991 -12.980 -0.502 1.00 51.42 O ATOM 838 CB ASN A 55 -5.023 -15.086 -2.215 1.00 34.41 C ATOM 839 CG ASN A 55 -6.036 -15.515 -3.259 1.00 5.01 C ATOM 840 OD1 ASN A 55 -6.010 -16.652 -3.733 1.00 32.45 O ATOM 841 ND2 ASN A 55 -6.935 -14.608 -3.620 1.00 33.22 N ATOM 0 H ASN A 55 -2.188 -13.506 -2.679 1.00 31.33 H new ATOM 0 HA ASN A 55 -4.753 -13.377 -3.491 1.00 62.12 H new ATOM 0 HB2 ASN A 55 -4.315 -15.897 -2.045 1.00 34.41 H new ATOM 0 HB3 ASN A 55 -5.534 -14.905 -1.269 1.00 34.41 H new ATOM 0 HD21 ASN A 55 -7.643 -14.841 -4.317 1.00 33.22 H new ATOM 0 HD22 ASN A 55 -6.918 -13.678 -3.201 1.00 33.22 H new ATOM 847 N VAL A 56 -3.466 -11.764 -1.624 1.00 5.30 N ATOM 848 CA VAL A 56 -3.383 -10.726 -0.604 1.00 32.42 C ATOM 849 C VAL A 56 -4.693 -9.954 -0.499 1.00 22.11 C ATOM 850 O VAL A 56 -5.333 -9.655 -1.508 1.00 11.14 O ATOM 851 CB VAL A 56 -2.241 -9.736 -0.904 1.00 43.45 C ATOM 852 CG1 VAL A 56 -1.954 -8.869 0.313 1.00 70.11 C ATOM 853 CG2 VAL A 56 -0.991 -10.484 -1.342 1.00 53.13 C ATOM 0 H VAL A 56 -2.863 -11.610 -2.432 1.00 5.30 H new ATOM 0 HA VAL A 56 -3.182 -11.227 0.343 1.00 32.42 H new ATOM 0 HB VAL A 56 -2.552 -9.084 -1.720 1.00 43.45 H new ATOM 0 HG11 VAL A 56 -1.145 -8.176 0.083 1.00 70.11 H new ATOM 0 HG12 VAL A 56 -2.849 -8.307 0.578 1.00 70.11 H new ATOM 0 HG13 VAL A 56 -1.662 -9.503 1.150 1.00 70.11 H new ATOM 0 HG21 VAL A 56 -0.194 -9.770 -1.550 1.00 53.13 H new ATOM 0 HG22 VAL A 56 -0.674 -11.160 -0.548 1.00 53.13 H new ATOM 0 HG23 VAL A 56 -1.208 -11.059 -2.243 1.00 53.13 H new ATOM 863 N ILE A 57 -5.087 -9.634 0.730 1.00 20.55 N ATOM 864 CA ILE A 57 -6.321 -8.895 0.967 1.00 24.03 C ATOM 865 C ILE A 57 -6.048 -7.592 1.709 1.00 31.24 C ATOM 866 O ILE A 57 -5.731 -7.599 2.899 1.00 14.35 O ATOM 867 CB ILE A 57 -7.332 -9.732 1.775 1.00 73.34 C ATOM 868 CG1 ILE A 57 -7.680 -11.018 1.023 1.00 34.22 C ATOM 869 CG2 ILE A 57 -8.586 -8.919 2.056 1.00 2.52 C ATOM 870 CD1 ILE A 57 -8.336 -12.067 1.892 1.00 51.05 C ATOM 0 H ILE A 57 -4.570 -9.875 1.576 1.00 20.55 H new ATOM 0 HA ILE A 57 -6.747 -8.670 -0.011 1.00 24.03 H new ATOM 0 HB ILE A 57 -6.878 -10.004 2.728 1.00 73.34 H new ATOM 0 HG12 ILE A 57 -8.346 -10.776 0.194 1.00 34.22 H new ATOM 0 HG13 ILE A 57 -6.770 -11.434 0.590 1.00 34.22 H new ATOM 0 HG21 ILE A 57 -9.291 -9.523 2.627 1.00 2.52 H new ATOM 0 HG22 ILE A 57 -8.322 -8.030 2.629 1.00 2.52 H new ATOM 0 HG23 ILE A 57 -9.045 -8.620 1.113 1.00 2.52 H new ATOM 0 HD11 ILE A 57 -8.555 -12.951 1.293 1.00 51.05 H new ATOM 0 HD12 ILE A 57 -7.664 -12.338 2.706 1.00 51.05 H new ATOM 0 HD13 ILE A 57 -9.263 -11.670 2.304 1.00 51.05 H new ATOM 881 N ILE A 58 -6.173 -6.475 0.999 1.00 42.02 N ATOM 882 CA ILE A 58 -5.943 -5.164 1.592 1.00 71.33 C ATOM 883 C ILE A 58 -7.165 -4.266 1.434 1.00 44.43 C ATOM 884 O ILE A 58 -7.774 -4.210 0.364 1.00 45.44 O ATOM 885 CB ILE A 58 -4.723 -4.468 0.959 1.00 54.32 C ATOM 886 CG1 ILE A 58 -4.836 -2.950 1.118 1.00 22.14 C ATOM 887 CG2 ILE A 58 -4.600 -4.845 -0.509 1.00 42.24 C ATOM 888 CD1 ILE A 58 -3.537 -2.217 0.866 1.00 51.54 C ATOM 0 H ILE A 58 -6.432 -6.452 0.013 1.00 42.02 H new ATOM 0 HA ILE A 58 -5.750 -5.326 2.652 1.00 71.33 H new ATOM 0 HB ILE A 58 -3.823 -4.803 1.476 1.00 54.32 H new ATOM 0 HG12 ILE A 58 -5.594 -2.576 0.430 1.00 22.14 H new ATOM 0 HG13 ILE A 58 -5.182 -2.723 2.127 1.00 22.14 H new ATOM 0 HG21 ILE A 58 -3.733 -4.345 -0.942 1.00 42.24 H new ATOM 0 HG22 ILE A 58 -4.478 -5.924 -0.598 1.00 42.24 H new ATOM 0 HG23 ILE A 58 -5.500 -4.536 -1.041 1.00 42.24 H new ATOM 0 HD11 ILE A 58 -3.692 -1.146 0.997 1.00 51.54 H new ATOM 0 HD12 ILE A 58 -2.781 -2.563 1.571 1.00 51.54 H new ATOM 0 HD13 ILE A 58 -3.200 -2.413 -0.152 1.00 51.54 H new ATOM 899 N LEU A 59 -7.518 -3.563 2.505 1.00 44.11 N ATOM 900 CA LEU A 59 -8.667 -2.666 2.486 1.00 22.14 C ATOM 901 C LEU A 59 -8.261 -1.252 2.888 1.00 52.41 C ATOM 902 O LEU A 59 -7.204 -1.045 3.484 1.00 52.54 O ATOM 903 CB LEU A 59 -9.759 -3.183 3.424 1.00 13.43 C ATOM 904 CG LEU A 59 -10.646 -4.299 2.872 1.00 44.02 C ATOM 905 CD1 LEU A 59 -11.491 -4.908 3.981 1.00 73.05 C ATOM 906 CD2 LEU A 59 -11.532 -3.772 1.753 1.00 2.34 C ATOM 0 H LEU A 59 -7.025 -3.597 3.397 1.00 44.11 H new ATOM 0 HA LEU A 59 -9.056 -2.636 1.468 1.00 22.14 H new ATOM 0 HB2 LEU A 59 -9.285 -3.542 4.338 1.00 13.43 H new ATOM 0 HB3 LEU A 59 -10.397 -2.344 3.704 1.00 13.43 H new ATOM 0 HG LEU A 59 -10.003 -5.079 2.463 1.00 44.02 H new ATOM 0 HD11 LEU A 59 -12.116 -5.700 3.569 1.00 73.05 H new ATOM 0 HD12 LEU A 59 -10.839 -5.323 4.749 1.00 73.05 H new ATOM 0 HD13 LEU A 59 -12.125 -4.138 4.420 1.00 73.05 H new ATOM 0 HD21 LEU A 59 -12.156 -4.580 1.372 1.00 2.34 H new ATOM 0 HD22 LEU A 59 -12.167 -2.973 2.137 1.00 2.34 H new ATOM 0 HD23 LEU A 59 -10.909 -3.385 0.947 1.00 2.34 H new ATOM 917 N VAL A 60 -9.109 -0.282 2.562 1.00 34.12 N ATOM 918 CA VAL A 60 -8.840 1.112 2.892 1.00 1.24 C ATOM 919 C VAL A 60 -10.101 1.813 3.386 1.00 72.11 C ATOM 920 O VAL A 60 -11.153 1.740 2.752 1.00 60.35 O ATOM 921 CB VAL A 60 -8.281 1.880 1.680 1.00 22.40 C ATOM 922 CG1 VAL A 60 -9.192 1.709 0.473 1.00 44.23 C ATOM 923 CG2 VAL A 60 -8.102 3.351 2.017 1.00 53.23 C ATOM 0 H VAL A 60 -9.989 -0.436 2.069 1.00 34.12 H new ATOM 0 HA VAL A 60 -8.093 1.110 3.686 1.00 1.24 H new ATOM 0 HB VAL A 60 -7.304 1.467 1.430 1.00 22.40 H new ATOM 0 HG11 VAL A 60 -8.781 2.259 -0.374 1.00 44.23 H new ATOM 0 HG12 VAL A 60 -9.264 0.652 0.219 1.00 44.23 H new ATOM 0 HG13 VAL A 60 -10.184 2.094 0.708 1.00 44.23 H new ATOM 0 HG21 VAL A 60 -7.706 3.878 1.149 1.00 53.23 H new ATOM 0 HG22 VAL A 60 -9.065 3.781 2.294 1.00 53.23 H new ATOM 0 HG23 VAL A 60 -7.407 3.451 2.850 1.00 53.23 H new ATOM 933 N ASN A 61 -9.987 2.492 4.523 1.00 3.32 N ATOM 934 CA ASN A 61 -11.119 3.207 5.102 1.00 51.44 C ATOM 935 C ASN A 61 -12.322 2.282 5.262 1.00 53.32 C ATOM 936 O ASN A 61 -13.468 2.728 5.233 1.00 52.20 O ATOM 937 CB ASN A 61 -11.494 4.405 4.229 1.00 21.21 C ATOM 938 CG ASN A 61 -12.407 5.381 4.945 1.00 51.12 C ATOM 939 OD1 ASN A 61 -12.472 5.397 6.175 1.00 32.34 O ATOM 940 ND2 ASN A 61 -13.116 6.200 4.178 1.00 40.30 N ATOM 0 H ASN A 61 -9.123 2.562 5.061 1.00 3.32 H new ATOM 0 HA ASN A 61 -10.824 3.565 6.089 1.00 51.44 H new ATOM 0 HB2 ASN A 61 -10.586 4.922 3.918 1.00 21.21 H new ATOM 0 HB3 ASN A 61 -11.985 4.051 3.323 1.00 21.21 H new ATOM 0 HD21 ASN A 61 -13.747 6.879 4.604 1.00 40.30 H new ATOM 0 HD22 ASN A 61 -13.030 6.151 3.163 1.00 40.30 H new ATOM 946 N GLY A 62 -12.051 0.992 5.432 1.00 23.11 N ATOM 947 CA GLY A 62 -13.121 0.024 5.594 1.00 33.13 C ATOM 948 C GLY A 62 -13.982 -0.102 4.352 1.00 54.31 C ATOM 949 O GLY A 62 -15.207 -0.158 4.443 1.00 32.34 O ATOM 0 H GLY A 62 -11.110 0.599 5.461 1.00 23.11 H new ATOM 0 HA2 GLY A 62 -12.693 -0.949 5.836 1.00 33.13 H new ATOM 0 HA3 GLY A 62 -13.746 0.316 6.438 1.00 33.13 H new ATOM 953 N ASN A 63 -13.339 -0.144 3.191 1.00 33.15 N ATOM 954 CA ASN A 63 -14.054 -0.261 1.925 1.00 45.20 C ATOM 955 C ASN A 63 -13.080 -0.299 0.751 1.00 12.11 C ATOM 956 O ASN A 63 -12.298 0.630 0.551 1.00 5.23 O ATOM 957 CB ASN A 63 -15.030 0.905 1.756 1.00 5.22 C ATOM 958 CG ASN A 63 -16.478 0.469 1.872 1.00 24.43 C ATOM 959 OD1 ASN A 63 -16.826 -0.663 1.533 1.00 71.33 O ATOM 960 ND2 ASN A 63 -17.330 1.367 2.351 1.00 11.14 N ATOM 0 H ASN A 63 -12.324 -0.099 3.100 1.00 33.15 H new ATOM 0 HA ASN A 63 -14.615 -1.196 1.939 1.00 45.20 H new ATOM 0 HB2 ASN A 63 -14.820 1.663 2.511 1.00 5.22 H new ATOM 0 HB3 ASN A 63 -14.870 1.371 0.783 1.00 5.22 H new ATOM 0 HD21 ASN A 63 -18.317 1.131 2.451 1.00 11.14 H new ATOM 0 HD22 ASN A 63 -16.997 2.293 2.619 1.00 11.14 H new ATOM 966 N ASN A 64 -13.135 -1.378 -0.022 1.00 13.15 N ATOM 967 CA ASN A 64 -12.259 -1.536 -1.177 1.00 71.41 C ATOM 968 C ASN A 64 -12.306 -0.300 -2.070 1.00 50.44 C ATOM 969 O ASN A 64 -13.361 0.309 -2.248 1.00 44.20 O ATOM 970 CB ASN A 64 -12.658 -2.775 -1.981 1.00 31.33 C ATOM 971 CG ASN A 64 -14.162 -2.936 -2.086 1.00 21.13 C ATOM 972 OD1 ASN A 64 -14.805 -3.472 -1.184 1.00 24.22 O ATOM 973 ND2 ASN A 64 -14.730 -2.469 -3.192 1.00 0.33 N ATOM 0 H ASN A 64 -13.777 -2.156 0.130 1.00 13.15 H new ATOM 0 HA ASN A 64 -11.239 -1.660 -0.813 1.00 71.41 H new ATOM 0 HB2 ASN A 64 -12.232 -2.708 -2.982 1.00 31.33 H new ATOM 0 HB3 ASN A 64 -12.232 -3.662 -1.512 1.00 31.33 H new ATOM 0 HD21 ASN A 64 -15.739 -2.547 -3.319 1.00 0.33 H new ATOM 0 HD22 ASN A 64 -14.157 -2.032 -3.914 1.00 0.33 H new ATOM 979 N ILE A 65 -11.156 0.065 -2.628 1.00 2.41 N ATOM 980 CA ILE A 65 -11.067 1.226 -3.503 1.00 54.34 C ATOM 981 C ILE A 65 -11.886 1.023 -4.774 1.00 44.52 C ATOM 982 O ILE A 65 -12.379 1.981 -5.369 1.00 61.03 O ATOM 983 CB ILE A 65 -9.608 1.530 -3.889 1.00 61.51 C ATOM 984 CG1 ILE A 65 -8.941 0.281 -4.471 1.00 33.54 C ATOM 985 CG2 ILE A 65 -8.834 2.035 -2.681 1.00 72.00 C ATOM 986 CD1 ILE A 65 -7.543 0.529 -4.992 1.00 33.54 C ATOM 0 H ILE A 65 -10.274 -0.427 -2.489 1.00 2.41 H new ATOM 0 HA ILE A 65 -11.471 2.071 -2.946 1.00 54.34 H new ATOM 0 HB ILE A 65 -9.604 2.310 -4.650 1.00 61.51 H new ATOM 0 HG12 ILE A 65 -8.902 -0.491 -3.703 1.00 33.54 H new ATOM 0 HG13 ILE A 65 -9.558 -0.106 -5.281 1.00 33.54 H new ATOM 0 HG21 ILE A 65 -7.804 2.245 -2.971 1.00 72.00 H new ATOM 0 HG22 ILE A 65 -9.299 2.947 -2.306 1.00 72.00 H new ATOM 0 HG23 ILE A 65 -8.843 1.275 -1.899 1.00 72.00 H new ATOM 0 HD11 ILE A 65 -7.133 -0.399 -5.389 1.00 33.54 H new ATOM 0 HD12 ILE A 65 -7.577 1.278 -5.783 1.00 33.54 H new ATOM 0 HD13 ILE A 65 -6.910 0.887 -4.180 1.00 33.54 H new ATOM 997 N THR A 66 -12.028 -0.235 -5.184 1.00 55.43 N ATOM 998 CA THR A 66 -12.787 -0.566 -6.383 1.00 51.40 C ATOM 999 C THR A 66 -14.225 -0.071 -6.277 1.00 50.33 C ATOM 1000 O THR A 66 -14.874 0.197 -7.288 1.00 1.44 O ATOM 1001 CB THR A 66 -12.797 -2.085 -6.639 1.00 13.33 C ATOM 1002 OG1 THR A 66 -13.196 -2.780 -5.453 1.00 41.02 O ATOM 1003 CG2 THR A 66 -11.423 -2.568 -7.079 1.00 51.04 C ATOM 0 H THR A 66 -11.627 -1.040 -4.703 1.00 55.43 H new ATOM 0 HA THR A 66 -12.294 -0.067 -7.217 1.00 51.40 H new ATOM 0 HB THR A 66 -13.510 -2.292 -7.437 1.00 13.33 H new ATOM 0 HG1 THR A 66 -13.201 -3.745 -5.625 1.00 41.02 H new ATOM 0 HG21 THR A 66 -11.454 -3.643 -7.254 1.00 51.04 H new ATOM 0 HG22 THR A 66 -11.136 -2.059 -7.999 1.00 51.04 H new ATOM 0 HG23 THR A 66 -10.693 -2.348 -6.300 1.00 51.04 H new ATOM 1011 N SER A 67 -14.717 0.050 -5.047 1.00 61.44 N ATOM 1012 CA SER A 67 -16.080 0.511 -4.811 1.00 62.54 C ATOM 1013 C SER A 67 -16.370 1.779 -5.606 1.00 55.23 C ATOM 1014 O SER A 67 -17.410 1.895 -6.254 1.00 71.25 O ATOM 1015 CB SER A 67 -16.301 0.768 -3.319 1.00 45.24 C ATOM 1016 OG SER A 67 -17.661 0.579 -2.966 1.00 70.14 O ATOM 0 H SER A 67 -14.192 -0.165 -4.199 1.00 61.44 H new ATOM 0 HA SER A 67 -16.765 -0.269 -5.144 1.00 62.54 H new ATOM 0 HB2 SER A 67 -15.673 0.096 -2.734 1.00 45.24 H new ATOM 0 HB3 SER A 67 -15.996 1.785 -3.073 1.00 45.24 H new ATOM 0 HG SER A 67 -17.777 0.747 -2.008 1.00 70.14 H new ATOM 1021 N MET A 68 -15.442 2.731 -5.550 1.00 4.04 N ATOM 1022 CA MET A 68 -15.598 3.992 -6.266 1.00 60.14 C ATOM 1023 C MET A 68 -14.468 4.188 -7.272 1.00 64.11 C ATOM 1024 O MET A 68 -14.658 4.010 -8.476 1.00 74.32 O ATOM 1025 CB MET A 68 -15.628 5.162 -5.281 1.00 43.34 C ATOM 1026 CG MET A 68 -14.942 4.860 -3.957 1.00 24.51 C ATOM 1027 SD MET A 68 -14.425 6.352 -3.086 1.00 43.01 S ATOM 1028 CE MET A 68 -13.069 6.896 -4.122 1.00 0.34 C ATOM 0 H MET A 68 -14.576 2.653 -5.017 1.00 4.04 H new ATOM 0 HA MET A 68 -16.543 3.959 -6.808 1.00 60.14 H new ATOM 0 HB2 MET A 68 -15.148 6.026 -5.741 1.00 43.34 H new ATOM 0 HB3 MET A 68 -16.665 5.438 -5.089 1.00 43.34 H new ATOM 0 HG2 MET A 68 -15.621 4.290 -3.322 1.00 24.51 H new ATOM 0 HG3 MET A 68 -14.071 4.230 -4.139 1.00 24.51 H new ATOM 0 HE1 MET A 68 -12.489 7.654 -3.595 1.00 0.34 H new ATOM 0 HE2 MET A 68 -12.427 6.047 -4.357 1.00 0.34 H new ATOM 0 HE3 MET A 68 -13.464 7.319 -5.046 1.00 0.34 H new ATOM 1036 N LYS A 69 -13.294 4.556 -6.772 1.00 62.04 N ATOM 1037 CA LYS A 69 -12.133 4.775 -7.627 1.00 72.12 C ATOM 1038 C LYS A 69 -10.974 3.873 -7.214 1.00 24.44 C ATOM 1039 O LYS A 69 -10.632 3.786 -6.036 1.00 11.41 O ATOM 1040 CB LYS A 69 -11.698 6.242 -7.564 1.00 64.52 C ATOM 1041 CG LYS A 69 -12.451 7.141 -8.529 1.00 23.22 C ATOM 1042 CD LYS A 69 -12.032 6.889 -9.968 1.00 74.05 C ATOM 1043 CE LYS A 69 -13.030 7.483 -10.952 1.00 43.31 C ATOM 1044 NZ LYS A 69 -12.877 8.958 -11.075 1.00 53.31 N ATOM 0 H LYS A 69 -13.121 4.709 -5.779 1.00 62.04 H new ATOM 0 HA LYS A 69 -12.415 4.528 -8.651 1.00 72.12 H new ATOM 0 HB2 LYS A 69 -11.842 6.612 -6.549 1.00 64.52 H new ATOM 0 HB3 LYS A 69 -10.631 6.306 -7.778 1.00 64.52 H new ATOM 0 HG2 LYS A 69 -13.523 6.970 -8.426 1.00 23.22 H new ATOM 0 HG3 LYS A 69 -12.268 8.185 -8.273 1.00 23.22 H new ATOM 0 HD2 LYS A 69 -11.047 7.321 -10.142 1.00 74.05 H new ATOM 0 HD3 LYS A 69 -11.944 5.816 -10.140 1.00 74.05 H new ATOM 0 HE2 LYS A 69 -12.894 7.021 -11.930 1.00 43.31 H new ATOM 0 HE3 LYS A 69 -14.044 7.249 -10.627 1.00 43.31 H new ATOM 0 HZ1 LYS A 69 -13.574 9.324 -11.754 1.00 53.31 H new ATOM 0 HZ2 LYS A 69 -13.031 9.402 -10.147 1.00 53.31 H new ATOM 0 HZ3 LYS A 69 -11.918 9.181 -11.410 1.00 53.31 H new ATOM 1054 N GLY A 70 -10.373 3.204 -8.193 1.00 4.33 N ATOM 1055 CA GLY A 70 -9.258 2.318 -7.911 1.00 1.45 C ATOM 1056 C GLY A 70 -8.095 3.039 -7.260 1.00 11.23 C ATOM 1057 O GLY A 70 -8.094 3.266 -6.050 1.00 11.43 O ATOM 0 H GLY A 70 -10.638 3.260 -9.176 1.00 4.33 H new ATOM 0 HA2 GLY A 70 -9.594 1.513 -7.258 1.00 1.45 H new ATOM 0 HA3 GLY A 70 -8.921 1.856 -8.839 1.00 1.45 H new ATOM 1061 N LEU A 71 -7.101 3.400 -8.063 1.00 63.34 N ATOM 1062 CA LEU A 71 -5.925 4.099 -7.558 1.00 62.35 C ATOM 1063 C LEU A 71 -6.241 5.563 -7.273 1.00 41.11 C ATOM 1064 O LEU A 71 -5.476 6.255 -6.601 1.00 72.42 O ATOM 1065 CB LEU A 71 -4.777 4.000 -8.565 1.00 73.12 C ATOM 1066 CG LEU A 71 -3.379 4.302 -8.023 1.00 10.50 C ATOM 1067 CD1 LEU A 71 -2.739 3.040 -7.465 1.00 2.42 C ATOM 1068 CD2 LEU A 71 -2.505 4.911 -9.109 1.00 44.54 C ATOM 0 H LEU A 71 -7.086 3.220 -9.067 1.00 63.34 H new ATOM 0 HA LEU A 71 -5.624 3.624 -6.624 1.00 62.35 H new ATOM 0 HB2 LEU A 71 -4.773 2.993 -8.983 1.00 73.12 H new ATOM 0 HB3 LEU A 71 -4.982 4.686 -9.387 1.00 73.12 H new ATOM 0 HG LEU A 71 -3.473 5.026 -7.213 1.00 10.50 H new ATOM 0 HD11 LEU A 71 -1.745 3.274 -7.084 1.00 2.42 H new ATOM 0 HD12 LEU A 71 -3.355 2.647 -6.656 1.00 2.42 H new ATOM 0 HD13 LEU A 71 -2.658 2.293 -8.255 1.00 2.42 H new ATOM 0 HD21 LEU A 71 -1.514 5.119 -8.705 1.00 44.54 H new ATOM 0 HD22 LEU A 71 -2.418 4.212 -9.941 1.00 44.54 H new ATOM 0 HD23 LEU A 71 -2.956 5.839 -9.461 1.00 44.54 H new ATOM 1079 N ASP A 72 -7.376 6.028 -7.785 1.00 75.24 N ATOM 1080 CA ASP A 72 -7.795 7.409 -7.583 1.00 33.02 C ATOM 1081 C ASP A 72 -8.470 7.579 -6.225 1.00 60.30 C ATOM 1082 O ASP A 72 -8.958 8.659 -5.892 1.00 20.04 O ATOM 1083 CB ASP A 72 -8.750 7.843 -8.697 1.00 75.04 C ATOM 1084 CG ASP A 72 -8.044 8.611 -9.797 1.00 61.41 C ATOM 1085 OD1 ASP A 72 -7.007 8.122 -10.292 1.00 64.14 O ATOM 1086 OD2 ASP A 72 -8.529 9.701 -10.165 1.00 71.32 O ATOM 0 H ASP A 72 -8.021 5.468 -8.343 1.00 75.24 H new ATOM 0 HA ASP A 72 -6.906 8.040 -7.610 1.00 33.02 H new ATOM 0 HB2 ASP A 72 -9.231 6.962 -9.123 1.00 75.04 H new ATOM 0 HB3 ASP A 72 -9.540 8.464 -8.274 1.00 75.04 H new ATOM 1090 N THR A 73 -8.493 6.504 -5.443 1.00 25.32 N ATOM 1091 CA THR A 73 -9.109 6.533 -4.122 1.00 65.34 C ATOM 1092 C THR A 73 -8.424 7.552 -3.219 1.00 20.02 C ATOM 1093 O THR A 73 -7.201 7.689 -3.238 1.00 12.54 O ATOM 1094 CB THR A 73 -9.056 5.149 -3.448 1.00 22.41 C ATOM 1095 OG1 THR A 73 -10.310 4.476 -3.611 1.00 75.22 O ATOM 1096 CG2 THR A 73 -8.734 5.280 -1.968 1.00 3.52 C ATOM 0 H THR A 73 -8.092 5.602 -5.702 1.00 25.32 H new ATOM 0 HA THR A 73 -10.151 6.820 -4.264 1.00 65.34 H new ATOM 0 HB THR A 73 -8.267 4.567 -3.925 1.00 22.41 H new ATOM 0 HG1 THR A 73 -10.535 4.430 -4.564 1.00 75.22 H new ATOM 0 HG21 THR A 73 -8.702 4.290 -1.514 1.00 3.52 H new ATOM 0 HG22 THR A 73 -7.766 5.766 -1.848 1.00 3.52 H new ATOM 0 HG23 THR A 73 -9.503 5.878 -1.480 1.00 3.52 H new ATOM 1104 N GLU A 74 -9.221 8.264 -2.428 1.00 64.34 N ATOM 1105 CA GLU A 74 -8.690 9.271 -1.517 1.00 12.40 C ATOM 1106 C GLU A 74 -8.727 8.773 -0.075 1.00 52.31 C ATOM 1107 O GLU A 74 -9.686 8.125 0.345 1.00 71.43 O ATOM 1108 CB GLU A 74 -9.486 10.572 -1.639 1.00 21.11 C ATOM 1109 CG GLU A 74 -10.979 10.395 -1.415 1.00 34.41 C ATOM 1110 CD GLU A 74 -11.690 11.710 -1.161 1.00 11.12 C ATOM 1111 OE1 GLU A 74 -11.787 12.524 -2.104 1.00 44.14 O ATOM 1112 OE2 GLU A 74 -12.149 11.927 -0.020 1.00 41.34 O ATOM 0 H GLU A 74 -10.236 8.162 -2.400 1.00 64.34 H new ATOM 0 HA GLU A 74 -7.652 9.461 -1.792 1.00 12.40 H new ATOM 0 HB2 GLU A 74 -9.102 11.292 -0.917 1.00 21.11 H new ATOM 0 HB3 GLU A 74 -9.323 10.996 -2.630 1.00 21.11 H new ATOM 0 HG2 GLU A 74 -11.419 9.911 -2.287 1.00 34.41 H new ATOM 0 HG3 GLU A 74 -11.139 9.730 -0.567 1.00 34.41 H new ATOM 1117 N ILE A 75 -7.676 9.081 0.677 1.00 50.42 N ATOM 1118 CA ILE A 75 -7.587 8.666 2.072 1.00 34.10 C ATOM 1119 C ILE A 75 -7.337 9.861 2.986 1.00 4.02 C ATOM 1120 O ILE A 75 -6.411 10.642 2.767 1.00 63.13 O ATOM 1121 CB ILE A 75 -6.467 7.630 2.281 1.00 75.11 C ATOM 1122 CG1 ILE A 75 -5.171 8.108 1.623 1.00 30.13 C ATOM 1123 CG2 ILE A 75 -6.884 6.278 1.722 1.00 13.53 C ATOM 1124 CD1 ILE A 75 -4.012 7.153 1.805 1.00 43.31 C ATOM 0 H ILE A 75 -6.874 9.616 0.344 1.00 50.42 H new ATOM 0 HA ILE A 75 -8.544 8.210 2.327 1.00 34.10 H new ATOM 0 HB ILE A 75 -6.290 7.519 3.351 1.00 75.11 H new ATOM 0 HG12 ILE A 75 -5.347 8.254 0.557 1.00 30.13 H new ATOM 0 HG13 ILE A 75 -4.900 9.079 2.037 1.00 30.13 H new ATOM 0 HG21 ILE A 75 -6.082 5.557 1.878 1.00 13.53 H new ATOM 0 HG22 ILE A 75 -7.784 5.935 2.232 1.00 13.53 H new ATOM 0 HG23 ILE A 75 -7.086 6.372 0.655 1.00 13.53 H new ATOM 0 HD11 ILE A 75 -3.127 7.557 1.313 1.00 43.31 H new ATOM 0 HD12 ILE A 75 -3.809 7.025 2.868 1.00 43.31 H new ATOM 0 HD13 ILE A 75 -4.263 6.188 1.365 1.00 43.31 H new ATOM 1135 N LYS A 76 -8.169 9.997 4.014 1.00 61.33 N ATOM 1136 CA LYS A 76 -8.037 11.094 4.965 1.00 61.22 C ATOM 1137 C LYS A 76 -7.352 10.626 6.245 1.00 43.34 C ATOM 1138 O LYS A 76 -7.082 9.436 6.415 1.00 53.15 O ATOM 1139 CB LYS A 76 -9.412 11.678 5.294 1.00 72.20 C ATOM 1140 CG LYS A 76 -10.184 12.145 4.071 1.00 45.23 C ATOM 1141 CD LYS A 76 -9.533 13.359 3.431 1.00 61.22 C ATOM 1142 CE LYS A 76 -9.977 14.649 4.102 1.00 21.25 C ATOM 1143 NZ LYS A 76 -9.660 15.844 3.272 1.00 53.22 N ATOM 0 H LYS A 76 -8.942 9.361 4.209 1.00 61.33 H new ATOM 0 HA LYS A 76 -7.420 11.867 4.506 1.00 61.22 H new ATOM 0 HB2 LYS A 76 -10.001 10.926 5.819 1.00 72.20 H new ATOM 0 HB3 LYS A 76 -9.286 12.518 5.977 1.00 72.20 H new ATOM 0 HG2 LYS A 76 -10.240 11.335 3.344 1.00 45.23 H new ATOM 0 HG3 LYS A 76 -11.207 12.388 4.357 1.00 45.23 H new ATOM 0 HD2 LYS A 76 -8.449 13.268 3.496 1.00 61.22 H new ATOM 0 HD3 LYS A 76 -9.787 13.393 2.371 1.00 61.22 H new ATOM 0 HE2 LYS A 76 -11.050 14.611 4.288 1.00 21.25 H new ATOM 0 HE3 LYS A 76 -9.488 14.741 5.072 1.00 21.25 H new ATOM 0 HZ1 LYS A 76 -9.978 16.703 3.764 1.00 53.22 H new ATOM 0 HZ2 LYS A 76 -8.633 15.895 3.115 1.00 53.22 H new ATOM 0 HZ3 LYS A 76 -10.147 15.769 2.356 1.00 53.22 H new ATOM 1153 N ASP A 77 -7.077 11.566 7.141 1.00 54.43 N ATOM 1154 CA ASP A 77 -6.426 11.249 8.407 1.00 41.44 C ATOM 1155 C ASP A 77 -7.149 10.110 9.119 1.00 12.11 C ATOM 1156 O ASP A 77 -6.537 9.340 9.861 1.00 31.14 O ATOM 1157 CB ASP A 77 -6.383 12.485 9.308 1.00 21.35 C ATOM 1158 CG ASP A 77 -4.967 12.915 9.634 1.00 24.14 C ATOM 1159 OD1 ASP A 77 -4.301 13.485 8.744 1.00 42.25 O ATOM 1160 OD2 ASP A 77 -4.525 12.682 10.778 1.00 74.13 O ATOM 0 H ASP A 77 -7.295 12.554 7.015 1.00 54.43 H new ATOM 0 HA ASP A 77 -5.406 10.931 8.193 1.00 41.44 H new ATOM 0 HB2 ASP A 77 -6.905 13.307 8.818 1.00 21.35 H new ATOM 0 HB3 ASP A 77 -6.918 12.275 10.234 1.00 21.35 H new ATOM 1164 N ASP A 78 -8.454 10.010 8.890 1.00 41.23 N ATOM 1165 CA ASP A 78 -9.260 8.965 9.510 1.00 22.34 C ATOM 1166 C ASP A 78 -9.060 7.629 8.799 1.00 34.34 C ATOM 1167 O ASP A 78 -8.899 6.591 9.441 1.00 53.14 O ATOM 1168 CB ASP A 78 -10.740 9.351 9.486 1.00 75.31 C ATOM 1169 CG ASP A 78 -11.009 10.655 10.214 1.00 63.03 C ATOM 1170 OD1 ASP A 78 -10.349 10.907 11.243 1.00 64.03 O ATOM 1171 OD2 ASP A 78 -11.880 11.422 9.753 1.00 50.01 O ATOM 0 H ASP A 78 -8.976 10.639 8.280 1.00 41.23 H new ATOM 0 HA ASP A 78 -8.936 8.858 10.545 1.00 22.34 H new ATOM 0 HB2 ASP A 78 -11.073 9.440 8.452 1.00 75.31 H new ATOM 0 HB3 ASP A 78 -11.328 8.555 9.943 1.00 75.31 H new ATOM 1175 N ASP A 79 -9.073 7.665 7.471 1.00 63.23 N ATOM 1176 CA ASP A 79 -8.892 6.458 6.673 1.00 20.14 C ATOM 1177 C ASP A 79 -7.647 5.696 7.113 1.00 32.10 C ATOM 1178 O ASP A 79 -6.693 6.286 7.621 1.00 60.44 O ATOM 1179 CB ASP A 79 -8.791 6.813 5.189 1.00 62.13 C ATOM 1180 CG ASP A 79 -10.112 7.282 4.613 1.00 52.11 C ATOM 1181 OD1 ASP A 79 -10.956 7.774 5.391 1.00 1.22 O ATOM 1182 OD2 ASP A 79 -10.302 7.158 3.385 1.00 5.32 O ATOM 0 H ASP A 79 -9.207 8.516 6.925 1.00 63.23 H new ATOM 0 HA ASP A 79 -9.760 5.817 6.827 1.00 20.14 H new ATOM 0 HB2 ASP A 79 -8.043 7.594 5.056 1.00 62.13 H new ATOM 0 HB3 ASP A 79 -8.445 5.942 4.633 1.00 62.13 H new ATOM 1186 N LYS A 80 -7.663 4.382 6.917 1.00 63.52 N ATOM 1187 CA LYS A 80 -6.535 3.538 7.293 1.00 53.33 C ATOM 1188 C LYS A 80 -6.404 2.349 6.346 1.00 13.31 C ATOM 1189 O LYS A 80 -7.401 1.730 5.972 1.00 34.11 O ATOM 1190 CB LYS A 80 -6.700 3.041 8.731 1.00 11.53 C ATOM 1191 CG LYS A 80 -7.822 2.032 8.901 1.00 14.11 C ATOM 1192 CD LYS A 80 -8.113 1.763 10.368 1.00 33.14 C ATOM 1193 CE LYS A 80 -8.954 2.873 10.982 1.00 63.43 C ATOM 1194 NZ LYS A 80 -9.486 2.490 12.319 1.00 33.04 N ATOM 0 H LYS A 80 -8.445 3.878 6.500 1.00 63.52 H new ATOM 0 HA LYS A 80 -5.627 4.137 7.223 1.00 53.33 H new ATOM 0 HB2 LYS A 80 -5.764 2.590 9.060 1.00 11.53 H new ATOM 0 HB3 LYS A 80 -6.889 3.895 9.382 1.00 11.53 H new ATOM 0 HG2 LYS A 80 -8.723 2.403 8.413 1.00 14.11 H new ATOM 0 HG3 LYS A 80 -7.552 1.099 8.406 1.00 14.11 H new ATOM 0 HD2 LYS A 80 -8.635 0.812 10.468 1.00 33.14 H new ATOM 0 HD3 LYS A 80 -7.175 1.671 10.915 1.00 33.14 H new ATOM 0 HE2 LYS A 80 -8.351 3.776 11.076 1.00 63.43 H new ATOM 0 HE3 LYS A 80 -9.783 3.111 10.316 1.00 63.43 H new ATOM 0 HZ1 LYS A 80 -10.053 3.272 12.704 1.00 33.04 H new ATOM 0 HZ2 LYS A 80 -10.082 1.643 12.226 1.00 33.04 H new ATOM 0 HZ3 LYS A 80 -8.695 2.287 12.962 1.00 33.04 H new ATOM 1204 N ILE A 81 -5.171 2.037 5.963 1.00 44.52 N ATOM 1205 CA ILE A 81 -4.912 0.921 5.061 1.00 53.20 C ATOM 1206 C ILE A 81 -4.340 -0.274 5.816 1.00 41.31 C ATOM 1207 O ILE A 81 -3.507 -0.117 6.709 1.00 10.21 O ATOM 1208 CB ILE A 81 -3.935 1.319 3.939 1.00 21.31 C ATOM 1209 CG1 ILE A 81 -4.492 2.503 3.146 1.00 21.14 C ATOM 1210 CG2 ILE A 81 -3.672 0.135 3.020 1.00 14.54 C ATOM 1211 CD1 ILE A 81 -3.930 3.838 3.578 1.00 12.42 C ATOM 0 H ILE A 81 -4.336 2.540 6.263 1.00 44.52 H new ATOM 0 HA ILE A 81 -5.869 0.645 4.618 1.00 53.20 H new ATOM 0 HB ILE A 81 -2.989 1.620 4.390 1.00 21.31 H new ATOM 0 HG12 ILE A 81 -4.278 2.354 2.088 1.00 21.14 H new ATOM 0 HG13 ILE A 81 -5.577 2.523 3.253 1.00 21.14 H new ATOM 0 HG21 ILE A 81 -2.980 0.433 2.232 1.00 14.54 H new ATOM 0 HG22 ILE A 81 -3.238 -0.683 3.595 1.00 14.54 H new ATOM 0 HG23 ILE A 81 -4.610 -0.194 2.573 1.00 14.54 H new ATOM 0 HD11 ILE A 81 -4.370 4.631 2.973 1.00 12.42 H new ATOM 0 HD12 ILE A 81 -4.166 4.010 4.628 1.00 12.42 H new ATOM 0 HD13 ILE A 81 -2.848 3.838 3.445 1.00 12.42 H new ATOM 1222 N ASP A 82 -4.792 -1.469 5.451 1.00 4.51 N ATOM 1223 CA ASP A 82 -4.324 -2.693 6.092 1.00 32.42 C ATOM 1224 C ASP A 82 -3.950 -3.742 5.050 1.00 5.33 C ATOM 1225 O ASP A 82 -4.616 -3.877 4.023 1.00 21.25 O ATOM 1226 CB ASP A 82 -5.398 -3.245 7.030 1.00 41.42 C ATOM 1227 CG ASP A 82 -5.373 -2.581 8.393 1.00 42.14 C ATOM 1228 OD1 ASP A 82 -4.845 -1.455 8.495 1.00 73.32 O ATOM 1229 OD2 ASP A 82 -5.883 -3.189 9.357 1.00 11.24 O ATOM 0 H ASP A 82 -5.482 -1.616 4.714 1.00 4.51 H new ATOM 0 HA ASP A 82 -3.434 -2.453 6.674 1.00 32.42 H new ATOM 0 HB2 ASP A 82 -6.379 -3.103 6.578 1.00 41.42 H new ATOM 0 HB3 ASP A 82 -5.255 -4.319 7.150 1.00 41.42 H new ATOM 1233 N LEU A 83 -2.883 -4.485 5.322 1.00 71.12 N ATOM 1234 CA LEU A 83 -2.420 -5.523 4.408 1.00 2.15 C ATOM 1235 C LEU A 83 -2.555 -6.905 5.040 1.00 53.41 C ATOM 1236 O LEU A 83 -1.907 -7.206 6.043 1.00 64.33 O ATOM 1237 CB LEU A 83 -0.965 -5.270 4.012 1.00 43.33 C ATOM 1238 CG LEU A 83 -0.481 -5.975 2.744 1.00 1.43 C ATOM 1239 CD1 LEU A 83 -0.387 -7.475 2.970 1.00 62.54 C ATOM 1240 CD2 LEU A 83 -1.409 -5.667 1.577 1.00 52.10 C ATOM 0 H LEU A 83 -2.322 -4.388 6.168 1.00 71.12 H new ATOM 0 HA LEU A 83 -3.043 -5.490 3.515 1.00 2.15 H new ATOM 0 HB2 LEU A 83 -0.826 -4.197 3.882 1.00 43.33 H new ATOM 0 HB3 LEU A 83 -0.326 -5.576 4.840 1.00 43.33 H new ATOM 0 HG LEU A 83 0.514 -5.602 2.501 1.00 1.43 H new ATOM 0 HD11 LEU A 83 -0.041 -7.960 2.057 1.00 62.54 H new ATOM 0 HD12 LEU A 83 0.317 -7.678 3.777 1.00 62.54 H new ATOM 0 HD13 LEU A 83 -1.369 -7.865 3.238 1.00 62.54 H new ATOM 0 HD21 LEU A 83 -1.050 -6.176 0.683 1.00 52.10 H new ATOM 0 HD22 LEU A 83 -2.416 -6.012 1.812 1.00 52.10 H new ATOM 0 HD23 LEU A 83 -1.426 -4.592 1.400 1.00 52.10 H new ATOM 1251 N PHE A 84 -3.399 -7.742 4.446 1.00 52.45 N ATOM 1252 CA PHE A 84 -3.617 -9.093 4.951 1.00 44.11 C ATOM 1253 C PHE A 84 -3.079 -10.133 3.973 1.00 33.43 C ATOM 1254 O PHE A 84 -3.282 -10.046 2.762 1.00 20.03 O ATOM 1255 CB PHE A 84 -5.108 -9.333 5.199 1.00 35.11 C ATOM 1256 CG PHE A 84 -5.770 -8.234 5.980 1.00 42.33 C ATOM 1257 CD1 PHE A 84 -5.204 -7.763 7.154 1.00 13.01 C ATOM 1258 CD2 PHE A 84 -6.958 -7.673 5.541 1.00 50.45 C ATOM 1259 CE1 PHE A 84 -5.811 -6.752 7.875 1.00 3.52 C ATOM 1260 CE2 PHE A 84 -7.570 -6.661 6.259 1.00 25.44 C ATOM 1261 CZ PHE A 84 -6.995 -6.200 7.425 1.00 40.52 C ATOM 0 H PHE A 84 -3.943 -7.509 3.615 1.00 52.45 H new ATOM 0 HA PHE A 84 -3.078 -9.193 5.893 1.00 44.11 H new ATOM 0 HB2 PHE A 84 -5.615 -9.443 4.240 1.00 35.11 H new ATOM 0 HB3 PHE A 84 -5.232 -10.274 5.735 1.00 35.11 H new ATOM 0 HD1 PHE A 84 -4.278 -8.191 7.510 1.00 13.01 H new ATOM 0 HD2 PHE A 84 -7.412 -8.030 4.628 1.00 50.45 H new ATOM 0 HE1 PHE A 84 -5.360 -6.394 8.789 1.00 3.52 H new ATOM 0 HE2 PHE A 84 -8.497 -6.233 5.907 1.00 25.44 H new ATOM 0 HZ PHE A 84 -7.470 -5.408 7.986 1.00 40.52 H new ATOM 1270 N PRO A 85 -2.375 -11.140 4.509 1.00 4.40 N ATOM 1271 CA PRO A 85 -1.793 -12.217 3.702 1.00 34.20 C ATOM 1272 C PRO A 85 -2.854 -13.140 3.115 1.00 44.41 C ATOM 1273 O PRO A 85 -4.012 -13.140 3.533 1.00 11.44 O ATOM 1274 CB PRO A 85 -0.917 -12.976 4.701 1.00 55.45 C ATOM 1275 CG PRO A 85 -1.532 -12.700 6.030 1.00 63.21 C ATOM 1276 CD PRO A 85 -2.093 -11.307 5.945 1.00 25.23 C ATOM 0 HA PRO A 85 -1.246 -11.831 2.842 1.00 34.20 H new ATOM 0 HB2 PRO A 85 -0.904 -14.044 4.485 1.00 55.45 H new ATOM 0 HB3 PRO A 85 0.116 -12.631 4.664 1.00 55.45 H new ATOM 0 HG2 PRO A 85 -2.316 -13.423 6.255 1.00 63.21 H new ATOM 0 HG3 PRO A 85 -0.791 -12.775 6.826 1.00 63.21 H new ATOM 0 HD2 PRO A 85 -2.995 -11.200 6.547 1.00 25.23 H new ATOM 0 HD3 PRO A 85 -1.380 -10.564 6.304 1.00 25.23 H new ATOM 1281 N PRO A 86 -2.453 -13.950 2.123 1.00 22.20 N ATOM 1282 CA PRO A 86 -3.356 -14.895 1.458 1.00 52.30 C ATOM 1283 C PRO A 86 -3.759 -16.050 2.369 1.00 12.21 C ATOM 1284 O PRO A 86 -2.997 -16.457 3.246 1.00 52.13 O ATOM 1285 CB PRO A 86 -2.526 -15.408 0.279 1.00 50.11 C ATOM 1286 CG PRO A 86 -1.110 -15.234 0.709 1.00 72.41 C ATOM 1287 CD PRO A 86 -1.088 -14.004 1.574 1.00 65.34 C ATOM 0 HA PRO A 86 -4.294 -14.425 1.164 1.00 52.30 H new ATOM 0 HB2 PRO A 86 -2.749 -16.453 0.063 1.00 50.11 H new ATOM 0 HB3 PRO A 86 -2.736 -14.843 -0.629 1.00 50.11 H new ATOM 0 HG2 PRO A 86 -0.760 -16.106 1.262 1.00 72.41 H new ATOM 0 HG3 PRO A 86 -0.452 -15.117 -0.152 1.00 72.41 H new ATOM 0 HD2 PRO A 86 -0.340 -14.081 2.363 1.00 65.34 H new ATOM 0 HD3 PRO A 86 -0.851 -13.110 0.996 1.00 65.34 H new ATOM 1292 N VAL A 87 -4.962 -16.574 2.154 1.00 54.45 N ATOM 1293 CA VAL A 87 -5.465 -17.683 2.955 1.00 63.04 C ATOM 1294 C VAL A 87 -4.509 -18.870 2.914 1.00 70.23 C ATOM 1295 O VAL A 87 -4.452 -19.668 3.850 1.00 33.32 O ATOM 1296 CB VAL A 87 -6.854 -18.141 2.471 1.00 60.43 C ATOM 1297 CG1 VAL A 87 -7.866 -17.014 2.612 1.00 24.43 C ATOM 1298 CG2 VAL A 87 -6.782 -18.626 1.031 1.00 44.15 C ATOM 0 H VAL A 87 -5.605 -16.248 1.433 1.00 54.45 H new ATOM 0 HA VAL A 87 -5.546 -17.321 3.980 1.00 63.04 H new ATOM 0 HB VAL A 87 -7.182 -18.972 3.095 1.00 60.43 H new ATOM 0 HG11 VAL A 87 -8.841 -17.355 2.265 1.00 24.43 H new ATOM 0 HG12 VAL A 87 -7.936 -16.717 3.658 1.00 24.43 H new ATOM 0 HG13 VAL A 87 -7.546 -16.161 2.013 1.00 24.43 H new ATOM 0 HG21 VAL A 87 -7.772 -18.946 0.705 1.00 44.15 H new ATOM 0 HG22 VAL A 87 -6.433 -17.815 0.391 1.00 44.15 H new ATOM 0 HG23 VAL A 87 -6.089 -19.465 0.964 1.00 44.15 H new ATOM 1308 N ALA A 88 -3.757 -18.980 1.823 1.00 23.05 N ATOM 1309 CA ALA A 88 -2.801 -20.068 1.661 1.00 34.23 C ATOM 1310 C ALA A 88 -1.367 -19.553 1.739 1.00 64.23 C ATOM 1311 O ALA A 88 -0.514 -19.938 0.939 1.00 2.43 O ATOM 1312 CB ALA A 88 -3.035 -20.783 0.339 1.00 23.52 C ATOM 0 H ALA A 88 -3.792 -18.329 1.039 1.00 23.05 H new ATOM 0 HA ALA A 88 -2.951 -20.776 2.476 1.00 34.23 H new ATOM 0 HB1 ALA A 88 -2.314 -21.593 0.231 1.00 23.52 H new ATOM 0 HB2 ALA A 88 -4.045 -21.191 0.320 1.00 23.52 H new ATOM 0 HB3 ALA A 88 -2.913 -20.077 -0.483 1.00 23.52 H new ATOM 1318 N GLY A 89 -1.108 -18.681 2.709 1.00 42.11 N ATOM 1319 CA GLY A 89 0.224 -18.129 2.873 1.00 23.54 C ATOM 1320 C GLY A 89 1.283 -19.203 3.020 1.00 13.33 C ATOM 1321 O GLY A 89 0.969 -20.363 3.286 1.00 31.15 O ATOM 0 H GLY A 89 -1.796 -18.347 3.384 1.00 42.11 H new ATOM 0 HA2 GLY A 89 0.463 -17.503 2.013 1.00 23.54 H new ATOM 0 HA3 GLY A 89 0.241 -17.484 3.751 1.00 23.54 H new ATOM 1325 N GLY A 90 2.544 -18.817 2.845 1.00 45.30 N ATOM 1326 CA GLY A 90 3.633 -19.768 2.962 1.00 40.00 C ATOM 1327 C GLY A 90 4.871 -19.327 2.207 1.00 64.44 C ATOM 1328 O GLY A 90 5.985 -19.739 2.533 1.00 4.24 O ATOM 0 H GLY A 90 2.830 -17.863 2.624 1.00 45.30 H new ATOM 0 HA2 GLY A 90 3.882 -19.903 4.015 1.00 40.00 H new ATOM 0 HA3 GLY A 90 3.307 -20.737 2.585 1.00 40.00 H new TER 1332 GLY A 90