USER MOD reduce.3.24.130724 H: found=0, std=0, add=605, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 606 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 79 SER OG : rot -115:sc= 0.00504 USER MOD Set 1.2: A 81 SER OG : rot 180:sc= 0.022 USER MOD Single : A 59 MET CE :methyl -149:sc= 0 (180deg=-0.951) USER MOD Single : A 60 THR OG1 : rot 118:sc= -2.32! USER MOD Single : A 63 MET CE :methyl -132:sc= -0.149 (180deg=-0.741) USER MOD Single : A 65 THR OG1 : rot 180:sc= 0.0714 USER MOD Single : A 67 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0794) USER MOD Single : A 68 GLN : amide:sc= 0 K(o=0,f=-0.85) USER MOD Single : A 70 SER OG : rot -70:sc= 1 USER MOD Single : A 71 LYS NZ :NH3+ 159:sc= 1.29 (180deg=1.07) USER MOD Single : A 72 ASN : amide:sc= -0.0215 X(o=-0.021,f=-0.37) USER MOD Single : A 74 SER OG : rot -85:sc= 1.09 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 MET CE :methyl -151:sc= 0 (180deg=-1.34) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 GLN : amide:sc= -0.09 X(o=-0.09,f=-0.17) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 84 THR OG1 : rot -113:sc= 1.15 USER MOD Single : A 92 SER OG : rot -67:sc= 0.0691 USER MOD Single : A 94 SER OG : rot 150:sc= 0 USER MOD Single : A 97 THR OG1 : rot 180:sc= 0.0413 USER MOD Single : A 99 THR OG1 : rot 180:sc= 0 USER MOD Single : A 102 THR OG1 : rot -110:sc= 0.819 USER MOD Single : A 103 MET CE :methyl -132:sc= -1.37 (180deg=-1.54) USER MOD Single : A 108 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0376) USER MOD Single : A 109 THR OG1 : rot 180:sc= -0.588 USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD Single : A 113 HIS : no HD1:sc=-0.00573 X(o=-0.0057,f=0) USER MOD Single : A 115 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 117 GLN : amide:sc= -0.0115 X(o=-0.011,f=0.2) USER MOD Single : A 120 HIS : no HD1:sc= -0.34 X(o=-0.34,f=-0.011) USER MOD Single : A 133 SER OG : rot 180:sc= -0.0113 USER MOD Single : A 136 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 16 N MET A 59 9.991 5.105 2.649 1.00 0.25 N ATOM 17 CA MET A 59 8.833 4.436 2.055 1.00 0.17 C ATOM 18 C MET A 59 7.991 5.364 1.170 1.00 0.20 C ATOM 19 O MET A 59 7.580 6.443 1.580 1.00 0.29 O ATOM 20 CB MET A 59 7.976 3.802 3.155 1.00 0.16 C ATOM 21 CG MET A 59 7.660 4.744 4.315 1.00 0.25 C ATOM 22 SD MET A 59 6.835 3.915 5.689 1.00 0.75 S ATOM 23 CE MET A 59 6.592 5.286 6.819 1.00 0.59 C ATOM 0 HA MET A 59 9.215 3.656 1.396 1.00 0.17 H new ATOM 0 HB2 MET A 59 7.040 3.454 2.717 1.00 0.16 H new ATOM 0 HB3 MET A 59 8.492 2.924 3.543 1.00 0.16 H new ATOM 0 HG2 MET A 59 8.586 5.195 4.673 1.00 0.25 H new ATOM 0 HG3 MET A 59 7.028 5.556 3.955 1.00 0.25 H new ATOM 0 HE1 MET A 59 6.626 4.922 7.846 1.00 0.59 H new ATOM 0 HE2 MET A 59 7.380 6.024 6.670 1.00 0.59 H new ATOM 0 HE3 MET A 59 5.623 5.747 6.629 1.00 0.59 H new ATOM 33 N THR A 60 7.764 4.913 -0.058 1.00 0.19 N ATOM 34 CA THR A 60 6.957 5.615 -1.052 1.00 0.22 C ATOM 35 C THR A 60 5.475 5.366 -0.822 1.00 0.18 C ATOM 36 O THR A 60 5.038 4.227 -0.771 1.00 0.17 O ATOM 37 CB THR A 60 7.320 5.113 -2.461 1.00 0.29 C ATOM 38 OG1 THR A 60 8.712 5.326 -2.716 1.00 0.37 O ATOM 39 CG2 THR A 60 6.475 5.781 -3.533 1.00 0.34 C ATOM 0 H THR A 60 8.144 4.030 -0.399 1.00 0.19 H new ATOM 0 HA THR A 60 7.162 6.682 -0.960 1.00 0.22 H new ATOM 0 HB THR A 60 7.109 4.044 -2.498 1.00 0.29 H new ATOM 0 HG1 THR A 60 9.154 4.463 -2.861 1.00 0.37 H new ATOM 0 HG21 THR A 60 6.762 5.399 -4.513 1.00 0.34 H new ATOM 0 HG22 THR A 60 5.422 5.564 -3.354 1.00 0.34 H new ATOM 0 HG23 THR A 60 6.634 6.859 -3.503 1.00 0.34 H new ATOM 47 N ARG A 61 4.706 6.425 -0.719 1.00 0.20 N ATOM 48 CA ARG A 61 3.302 6.302 -0.374 1.00 0.18 C ATOM 49 C ARG A 61 2.429 6.169 -1.621 1.00 0.17 C ATOM 50 O ARG A 61 2.430 7.047 -2.480 1.00 0.18 O ATOM 51 CB ARG A 61 2.883 7.518 0.448 1.00 0.22 C ATOM 52 CG ARG A 61 1.695 7.259 1.348 1.00 0.33 C ATOM 53 CD ARG A 61 1.329 8.491 2.157 1.00 0.42 C ATOM 54 NE ARG A 61 1.499 8.252 3.585 1.00 0.84 N ATOM 55 CZ ARG A 61 0.834 8.885 4.542 1.00 1.13 C ATOM 56 NH1 ARG A 61 -0.038 9.841 4.247 1.00 1.32 N ATOM 57 NH2 ARG A 61 1.060 8.564 5.802 1.00 1.91 N ATOM 0 H ARG A 61 5.025 7.382 -0.868 1.00 0.20 H new ATOM 0 HA ARG A 61 3.163 5.395 0.214 1.00 0.18 H new ATOM 0 HB2 ARG A 61 3.726 7.842 1.058 1.00 0.22 H new ATOM 0 HB3 ARG A 61 2.644 8.339 -0.228 1.00 0.22 H new ATOM 0 HG2 ARG A 61 0.841 6.952 0.745 1.00 0.33 H new ATOM 0 HG3 ARG A 61 1.922 6.434 2.023 1.00 0.33 H new ATOM 0 HD2 ARG A 61 1.953 9.330 1.849 1.00 0.42 H new ATOM 0 HD3 ARG A 61 0.295 8.770 1.953 1.00 0.42 H new ATOM 0 HE ARG A 61 2.179 7.547 3.869 1.00 0.84 H new ATOM 0 HH11 ARG A 61 -0.204 10.097 3.274 1.00 1.32 H new ATOM 0 HH12 ARG A 61 -0.542 10.319 4.993 1.00 1.32 H new ATOM 0 HH21 ARG A 61 1.739 7.837 6.029 1.00 1.91 H new ATOM 0 HH22 ARG A 61 0.556 9.043 6.549 1.00 1.91 H new ATOM 71 N LEU A 62 1.720 5.049 -1.728 1.00 0.16 N ATOM 72 CA LEU A 62 0.720 4.862 -2.777 1.00 0.15 C ATOM 73 C LEU A 62 -0.674 4.913 -2.177 1.00 0.12 C ATOM 74 O LEU A 62 -0.980 4.170 -1.245 1.00 0.20 O ATOM 75 CB LEU A 62 0.887 3.532 -3.542 1.00 0.23 C ATOM 76 CG LEU A 62 1.981 2.584 -3.061 1.00 0.20 C ATOM 77 CD1 LEU A 62 1.784 1.234 -3.709 1.00 0.28 C ATOM 78 CD2 LEU A 62 3.368 3.120 -3.396 1.00 0.32 C ATOM 0 H LEU A 62 1.820 4.253 -1.098 1.00 0.16 H new ATOM 0 HA LEU A 62 0.865 5.672 -3.491 1.00 0.15 H new ATOM 0 HB2 LEU A 62 -0.063 2.999 -3.504 1.00 0.23 H new ATOM 0 HB3 LEU A 62 1.079 3.766 -4.589 1.00 0.23 H new ATOM 0 HG LEU A 62 1.911 2.495 -1.977 1.00 0.20 H new ATOM 0 HD11 LEU A 62 2.563 0.551 -3.370 1.00 0.28 H new ATOM 0 HD12 LEU A 62 0.807 0.837 -3.433 1.00 0.28 H new ATOM 0 HD13 LEU A 62 1.840 1.339 -4.793 1.00 0.28 H new ATOM 0 HD21 LEU A 62 4.124 2.421 -3.040 1.00 0.32 H new ATOM 0 HD22 LEU A 62 3.462 3.237 -4.476 1.00 0.32 H new ATOM 0 HD23 LEU A 62 3.511 4.086 -2.913 1.00 0.32 H new ATOM 90 N MET A 63 -1.512 5.794 -2.699 1.00 0.10 N ATOM 91 CA MET A 63 -2.882 5.888 -2.232 1.00 0.13 C ATOM 92 C MET A 63 -3.737 4.809 -2.877 1.00 0.18 C ATOM 93 O MET A 63 -3.708 4.614 -4.093 1.00 0.39 O ATOM 94 CB MET A 63 -3.484 7.268 -2.505 1.00 0.18 C ATOM 95 CG MET A 63 -3.619 7.617 -3.982 1.00 0.29 C ATOM 96 SD MET A 63 -4.573 9.125 -4.257 1.00 1.09 S ATOM 97 CE MET A 63 -6.195 8.606 -3.696 1.00 1.80 C ATOM 0 H MET A 63 -1.268 6.450 -3.441 1.00 0.10 H new ATOM 0 HA MET A 63 -2.869 5.739 -1.152 1.00 0.13 H new ATOM 0 HB2 MET A 63 -4.469 7.319 -2.041 1.00 0.18 H new ATOM 0 HB3 MET A 63 -2.864 8.023 -2.021 1.00 0.18 H new ATOM 0 HG2 MET A 63 -2.626 7.736 -4.415 1.00 0.29 H new ATOM 0 HG3 MET A 63 -4.098 6.789 -4.505 1.00 0.29 H new ATOM 0 HE1 MET A 63 -6.944 8.888 -4.437 1.00 1.80 H new ATOM 0 HE2 MET A 63 -6.205 7.524 -3.563 1.00 1.80 H new ATOM 0 HE3 MET A 63 -6.424 9.090 -2.747 1.00 1.80 H new ATOM 107 N VAL A 64 -4.471 4.100 -2.047 1.00 0.11 N ATOM 108 CA VAL A 64 -5.338 3.030 -2.495 1.00 0.11 C ATOM 109 C VAL A 64 -6.774 3.323 -2.083 1.00 0.16 C ATOM 110 O VAL A 64 -7.123 3.186 -0.917 1.00 0.42 O ATOM 111 CB VAL A 64 -4.907 1.684 -1.881 1.00 0.14 C ATOM 112 CG1 VAL A 64 -5.801 0.562 -2.363 1.00 0.17 C ATOM 113 CG2 VAL A 64 -3.448 1.383 -2.194 1.00 0.18 C ATOM 0 H VAL A 64 -4.484 4.250 -1.038 1.00 0.11 H new ATOM 0 HA VAL A 64 -5.266 2.966 -3.581 1.00 0.11 H new ATOM 0 HB VAL A 64 -5.010 1.761 -0.799 1.00 0.14 H new ATOM 0 HG11 VAL A 64 -5.478 -0.378 -1.916 1.00 0.17 H new ATOM 0 HG12 VAL A 64 -6.831 0.767 -2.072 1.00 0.17 H new ATOM 0 HG13 VAL A 64 -5.739 0.488 -3.449 1.00 0.17 H new ATOM 0 HG21 VAL A 64 -3.170 0.428 -1.749 1.00 0.18 H new ATOM 0 HG22 VAL A 64 -3.310 1.334 -3.274 1.00 0.18 H new ATOM 0 HG23 VAL A 64 -2.818 2.172 -1.783 1.00 0.18 H new ATOM 123 N THR A 65 -7.605 3.749 -3.016 1.00 0.19 N ATOM 124 CA THR A 65 -8.970 4.095 -2.670 1.00 0.19 C ATOM 125 C THR A 65 -9.891 2.885 -2.642 1.00 0.20 C ATOM 126 O THR A 65 -9.898 2.053 -3.551 1.00 0.24 O ATOM 127 CB THR A 65 -9.556 5.145 -3.606 1.00 0.22 C ATOM 128 OG1 THR A 65 -8.876 5.119 -4.867 1.00 0.29 O ATOM 129 CG2 THR A 65 -9.468 6.528 -2.981 1.00 0.25 C ATOM 0 H THR A 65 -7.365 3.862 -4.001 1.00 0.19 H new ATOM 0 HA THR A 65 -8.911 4.511 -1.664 1.00 0.19 H new ATOM 0 HB THR A 65 -10.608 4.913 -3.773 1.00 0.22 H new ATOM 0 HG1 THR A 65 -9.262 5.796 -5.461 1.00 0.29 H new ATOM 0 HG21 THR A 65 -9.891 7.264 -3.665 1.00 0.25 H new ATOM 0 HG22 THR A 65 -10.025 6.540 -2.044 1.00 0.25 H new ATOM 0 HG23 THR A 65 -8.424 6.773 -2.785 1.00 0.25 H new ATOM 137 N GLU A 66 -10.670 2.812 -1.582 1.00 0.20 N ATOM 138 CA GLU A 66 -11.633 1.755 -1.386 1.00 0.22 C ATOM 139 C GLU A 66 -13.030 2.239 -1.747 1.00 0.24 C ATOM 140 O GLU A 66 -13.589 3.111 -1.079 1.00 0.31 O ATOM 141 CB GLU A 66 -11.626 1.317 0.064 1.00 0.25 C ATOM 142 CG GLU A 66 -10.245 1.166 0.650 1.00 0.35 C ATOM 143 CD GLU A 66 -10.305 1.069 2.158 1.00 0.54 C ATOM 144 OE1 GLU A 66 -11.047 0.209 2.669 1.00 0.79 O ATOM 145 OE2 GLU A 66 -9.566 1.823 2.833 1.00 0.92 O ATOM 0 H GLU A 66 -10.650 3.495 -0.825 1.00 0.20 H new ATOM 0 HA GLU A 66 -11.362 0.917 -2.029 1.00 0.22 H new ATOM 0 HB2 GLU A 66 -12.184 2.043 0.655 1.00 0.25 H new ATOM 0 HB3 GLU A 66 -12.152 0.366 0.149 1.00 0.25 H new ATOM 0 HG2 GLU A 66 -9.769 0.274 0.243 1.00 0.35 H new ATOM 0 HG3 GLU A 66 -9.628 2.017 0.361 1.00 0.35 H new ATOM 152 N LYS A 67 -13.582 1.692 -2.809 1.00 0.23 N ATOM 153 CA LYS A 67 -14.950 1.981 -3.201 1.00 0.26 C ATOM 154 C LYS A 67 -15.571 0.716 -3.753 1.00 0.26 C ATOM 155 O LYS A 67 -14.976 -0.339 -3.615 1.00 0.27 O ATOM 156 CB LYS A 67 -15.022 3.142 -4.214 1.00 0.32 C ATOM 157 CG LYS A 67 -14.076 3.029 -5.412 1.00 0.36 C ATOM 158 CD LYS A 67 -12.661 3.478 -5.067 1.00 0.34 C ATOM 159 CE LYS A 67 -11.737 3.446 -6.278 1.00 0.53 C ATOM 160 NZ LYS A 67 -12.106 4.470 -7.292 1.00 0.93 N ATOM 0 H LYS A 67 -13.100 1.037 -3.424 1.00 0.23 H new ATOM 0 HA LYS A 67 -15.514 2.309 -2.328 1.00 0.26 H new ATOM 0 HB2 LYS A 67 -16.044 3.214 -4.586 1.00 0.32 H new ATOM 0 HB3 LYS A 67 -14.807 4.073 -3.690 1.00 0.32 H new ATOM 0 HG2 LYS A 67 -14.054 1.996 -5.760 1.00 0.36 H new ATOM 0 HG3 LYS A 67 -14.458 3.634 -6.234 1.00 0.36 H new ATOM 0 HD2 LYS A 67 -12.691 4.489 -4.661 1.00 0.34 H new ATOM 0 HD3 LYS A 67 -12.257 2.833 -4.286 1.00 0.34 H new ATOM 0 HE2 LYS A 67 -10.710 3.612 -5.954 1.00 0.53 H new ATOM 0 HE3 LYS A 67 -11.772 2.456 -6.734 1.00 0.53 H new ATOM 0 HZ1 LYS A 67 -11.367 4.517 -8.023 1.00 0.93 H new ATOM 0 HZ2 LYS A 67 -13.012 4.212 -7.732 1.00 0.93 H new ATOM 0 HZ3 LYS A 67 -12.196 5.398 -6.831 1.00 0.93 H new ATOM 174 N GLN A 68 -16.741 0.788 -4.374 1.00 0.33 N ATOM 175 CA GLN A 68 -17.374 -0.417 -4.918 1.00 0.41 C ATOM 176 C GLN A 68 -16.406 -1.142 -5.855 1.00 0.42 C ATOM 177 O GLN A 68 -16.501 -2.351 -6.063 1.00 0.53 O ATOM 178 CB GLN A 68 -18.674 -0.069 -5.642 1.00 0.49 C ATOM 179 CG GLN A 68 -19.455 -1.289 -6.096 1.00 1.52 C ATOM 180 CD GLN A 68 -20.794 -0.933 -6.708 1.00 2.26 C ATOM 181 OE1 GLN A 68 -21.412 0.073 -6.349 1.00 2.79 O ATOM 182 NE2 GLN A 68 -21.255 -1.755 -7.632 1.00 3.05 N ATOM 0 H GLN A 68 -17.268 1.650 -4.515 1.00 0.33 H new ATOM 0 HA GLN A 68 -17.621 -1.083 -4.091 1.00 0.41 H new ATOM 0 HB2 GLN A 68 -19.301 0.529 -4.981 1.00 0.49 H new ATOM 0 HB3 GLN A 68 -18.444 0.550 -6.509 1.00 0.49 H new ATOM 0 HG2 GLN A 68 -18.863 -1.843 -6.825 1.00 1.52 H new ATOM 0 HG3 GLN A 68 -19.614 -1.951 -5.245 1.00 1.52 H new ATOM 0 HE21 GLN A 68 -20.713 -2.576 -7.900 1.00 3.05 H new ATOM 0 HE22 GLN A 68 -22.153 -1.569 -8.078 1.00 3.05 H new ATOM 191 N GLU A 69 -15.468 -0.381 -6.396 1.00 0.36 N ATOM 192 CA GLU A 69 -14.367 -0.919 -7.175 1.00 0.40 C ATOM 193 C GLU A 69 -13.435 -1.771 -6.314 1.00 0.33 C ATOM 194 O GLU A 69 -13.267 -2.968 -6.544 1.00 0.39 O ATOM 195 CB GLU A 69 -13.556 0.239 -7.732 1.00 0.45 C ATOM 196 CG GLU A 69 -12.422 -0.176 -8.658 1.00 1.10 C ATOM 197 CD GLU A 69 -12.903 -0.915 -9.886 1.00 1.52 C ATOM 198 OE1 GLU A 69 -13.043 -2.153 -9.818 1.00 2.34 O ATOM 199 OE2 GLU A 69 -13.158 -0.261 -10.917 1.00 1.63 O ATOM 0 H GLU A 69 -15.450 0.635 -6.305 1.00 0.36 H new ATOM 0 HA GLU A 69 -14.783 -1.541 -7.968 1.00 0.40 H new ATOM 0 HB2 GLU A 69 -14.225 0.908 -8.274 1.00 0.45 H new ATOM 0 HB3 GLU A 69 -13.140 0.809 -6.901 1.00 0.45 H new ATOM 0 HG2 GLU A 69 -11.870 0.711 -8.968 1.00 1.10 H new ATOM 0 HG3 GLU A 69 -11.725 -0.810 -8.109 1.00 1.10 H new ATOM 206 N SER A 70 -12.851 -1.134 -5.304 1.00 0.27 N ATOM 207 CA SER A 70 -11.709 -1.698 -4.604 1.00 0.22 C ATOM 208 C SER A 70 -11.949 -1.871 -3.112 1.00 0.17 C ATOM 209 O SER A 70 -11.001 -2.019 -2.354 1.00 0.16 O ATOM 210 CB SER A 70 -10.499 -0.791 -4.801 1.00 0.26 C ATOM 211 OG SER A 70 -10.358 -0.415 -6.159 1.00 0.59 O ATOM 0 H SER A 70 -13.153 -0.225 -4.954 1.00 0.27 H new ATOM 0 HA SER A 70 -11.538 -2.688 -5.026 1.00 0.22 H new ATOM 0 HB2 SER A 70 -10.605 0.101 -4.183 1.00 0.26 H new ATOM 0 HB3 SER A 70 -9.597 -1.305 -4.467 1.00 0.26 H new ATOM 0 HG SER A 70 -10.082 -1.193 -6.687 1.00 0.59 H new ATOM 217 N LYS A 71 -13.196 -1.852 -2.669 1.00 0.19 N ATOM 218 CA LYS A 71 -13.473 -2.094 -1.261 1.00 0.20 C ATOM 219 C LYS A 71 -13.138 -3.536 -0.879 1.00 0.19 C ATOM 220 O LYS A 71 -13.146 -3.898 0.294 1.00 0.22 O ATOM 221 CB LYS A 71 -14.924 -1.760 -0.891 1.00 0.32 C ATOM 222 CG LYS A 71 -15.071 -0.454 -0.115 1.00 0.59 C ATOM 223 CD LYS A 71 -14.385 -0.536 1.245 1.00 0.42 C ATOM 224 CE LYS A 71 -14.419 0.798 1.980 1.00 1.12 C ATOM 225 NZ LYS A 71 -13.614 0.768 3.235 1.00 1.70 N ATOM 0 H LYS A 71 -14.017 -1.676 -3.249 1.00 0.19 H new ATOM 0 HA LYS A 71 -12.830 -1.424 -0.690 1.00 0.20 H new ATOM 0 HB2 LYS A 71 -15.518 -1.700 -1.803 1.00 0.32 H new ATOM 0 HB3 LYS A 71 -15.335 -2.575 -0.296 1.00 0.32 H new ATOM 0 HG2 LYS A 71 -14.641 0.365 -0.692 1.00 0.59 H new ATOM 0 HG3 LYS A 71 -16.128 -0.227 0.022 1.00 0.59 H new ATOM 0 HD2 LYS A 71 -14.873 -1.298 1.853 1.00 0.42 H new ATOM 0 HD3 LYS A 71 -13.350 -0.850 1.111 1.00 0.42 H new ATOM 0 HE2 LYS A 71 -14.039 1.582 1.325 1.00 1.12 H new ATOM 0 HE3 LYS A 71 -15.451 1.054 2.218 1.00 1.12 H new ATOM 0 HZ1 LYS A 71 -13.366 1.739 3.512 1.00 1.70 H new ATOM 0 HZ2 LYS A 71 -14.170 0.323 3.993 1.00 1.70 H new ATOM 0 HZ3 LYS A 71 -12.744 0.221 3.076 1.00 1.70 H new ATOM 239 N ASN A 72 -12.847 -4.353 -1.886 1.00 0.19 N ATOM 240 CA ASN A 72 -12.287 -5.685 -1.676 1.00 0.22 C ATOM 241 C ASN A 72 -10.944 -5.568 -0.969 1.00 0.20 C ATOM 242 O ASN A 72 -10.537 -6.449 -0.211 1.00 0.27 O ATOM 243 CB ASN A 72 -12.081 -6.387 -3.022 1.00 0.26 C ATOM 244 CG ASN A 72 -13.348 -6.488 -3.845 1.00 1.15 C ATOM 245 OD1 ASN A 72 -13.705 -5.559 -4.570 1.00 2.13 O ATOM 246 ND2 ASN A 72 -14.019 -7.625 -3.767 1.00 1.62 N ATOM 0 H ASN A 72 -12.992 -4.113 -2.867 1.00 0.19 H new ATOM 0 HA ASN A 72 -12.979 -6.265 -1.066 1.00 0.22 H new ATOM 0 HB2 ASN A 72 -11.327 -5.847 -3.594 1.00 0.26 H new ATOM 0 HB3 ASN A 72 -11.690 -7.389 -2.845 1.00 0.26 H new ATOM 0 HD21 ASN A 72 -14.866 -7.756 -4.320 1.00 1.62 H new ATOM 0 HD22 ASN A 72 -13.690 -8.371 -3.154 1.00 1.62 H new ATOM 253 N PHE A 73 -10.277 -4.451 -1.217 1.00 0.16 N ATOM 254 CA PHE A 73 -8.956 -4.191 -0.675 1.00 0.14 C ATOM 255 C PHE A 73 -9.014 -3.877 0.819 1.00 0.14 C ATOM 256 O PHE A 73 -8.027 -4.074 1.530 1.00 0.14 O ATOM 257 CB PHE A 73 -8.316 -3.025 -1.440 1.00 0.14 C ATOM 258 CG PHE A 73 -6.978 -2.610 -0.903 1.00 0.13 C ATOM 259 CD1 PHE A 73 -6.891 -1.642 0.082 1.00 0.17 C ATOM 260 CD2 PHE A 73 -5.809 -3.194 -1.368 1.00 0.14 C ATOM 261 CE1 PHE A 73 -5.670 -1.269 0.595 1.00 0.19 C ATOM 262 CE2 PHE A 73 -4.586 -2.819 -0.855 1.00 0.16 C ATOM 263 CZ PHE A 73 -4.517 -1.859 0.126 1.00 0.15 C ATOM 0 H PHE A 73 -10.640 -3.698 -1.802 1.00 0.16 H new ATOM 0 HA PHE A 73 -8.350 -5.089 -0.796 1.00 0.14 H new ATOM 0 HB2 PHE A 73 -8.205 -3.307 -2.487 1.00 0.14 H new ATOM 0 HB3 PHE A 73 -8.990 -2.169 -1.410 1.00 0.14 H new ATOM 0 HD1 PHE A 73 -7.791 -1.174 0.452 1.00 0.17 H new ATOM 0 HD2 PHE A 73 -5.858 -3.949 -2.139 1.00 0.14 H new ATOM 0 HE1 PHE A 73 -5.616 -0.514 1.365 1.00 0.19 H new ATOM 0 HE2 PHE A 73 -3.682 -3.280 -1.224 1.00 0.16 H new ATOM 0 HZ PHE A 73 -3.559 -1.567 0.529 1.00 0.15 H new ATOM 273 N SER A 74 -10.176 -3.418 1.288 1.00 0.16 N ATOM 274 CA SER A 74 -10.329 -2.948 2.666 1.00 0.18 C ATOM 275 C SER A 74 -9.758 -3.951 3.668 1.00 0.18 C ATOM 276 O SER A 74 -8.874 -3.624 4.457 1.00 0.24 O ATOM 277 CB SER A 74 -11.802 -2.679 2.981 1.00 0.23 C ATOM 278 OG SER A 74 -12.587 -3.857 2.865 1.00 0.71 O ATOM 0 H SER A 74 -11.028 -3.362 0.731 1.00 0.16 H new ATOM 0 HA SER A 74 -9.767 -2.019 2.759 1.00 0.18 H new ATOM 0 HB2 SER A 74 -11.891 -2.280 3.991 1.00 0.23 H new ATOM 0 HB3 SER A 74 -12.186 -1.917 2.303 1.00 0.23 H new ATOM 0 HG SER A 74 -12.860 -3.978 1.932 1.00 0.71 H new ATOM 284 N LYS A 75 -10.250 -5.181 3.614 1.00 0.16 N ATOM 285 CA LYS A 75 -9.799 -6.218 4.528 1.00 0.18 C ATOM 286 C LYS A 75 -8.506 -6.863 4.056 1.00 0.15 C ATOM 287 O LYS A 75 -7.853 -7.567 4.823 1.00 0.20 O ATOM 288 CB LYS A 75 -10.868 -7.293 4.712 1.00 0.24 C ATOM 289 CG LYS A 75 -12.083 -6.829 5.501 1.00 0.76 C ATOM 290 CD LYS A 75 -11.724 -6.434 6.931 1.00 0.90 C ATOM 291 CE LYS A 75 -11.085 -7.588 7.689 1.00 1.87 C ATOM 292 NZ LYS A 75 -10.845 -7.258 9.118 1.00 2.17 N ATOM 0 H LYS A 75 -10.960 -5.484 2.948 1.00 0.16 H new ATOM 0 HA LYS A 75 -9.612 -5.732 5.486 1.00 0.18 H new ATOM 0 HB2 LYS A 75 -11.195 -7.638 3.731 1.00 0.24 H new ATOM 0 HB3 LYS A 75 -10.424 -8.150 5.219 1.00 0.24 H new ATOM 0 HG2 LYS A 75 -12.540 -5.979 4.995 1.00 0.76 H new ATOM 0 HG3 LYS A 75 -12.827 -7.625 5.522 1.00 0.76 H new ATOM 0 HD2 LYS A 75 -11.039 -5.586 6.913 1.00 0.90 H new ATOM 0 HD3 LYS A 75 -12.622 -6.107 7.455 1.00 0.90 H new ATOM 0 HE2 LYS A 75 -11.730 -8.464 7.624 1.00 1.87 H new ATOM 0 HE3 LYS A 75 -10.139 -7.852 7.215 1.00 1.87 H new ATOM 0 HZ1 LYS A 75 -10.409 -8.073 9.594 1.00 2.17 H new ATOM 0 HZ2 LYS A 75 -10.209 -6.438 9.183 1.00 2.17 H new ATOM 0 HZ3 LYS A 75 -11.749 -7.031 9.579 1.00 2.17 H new ATOM 306 N MET A 76 -8.136 -6.640 2.798 1.00 0.13 N ATOM 307 CA MET A 76 -6.876 -7.170 2.291 1.00 0.15 C ATOM 308 C MET A 76 -5.730 -6.498 3.010 1.00 0.16 C ATOM 309 O MET A 76 -4.829 -7.155 3.520 1.00 0.20 O ATOM 310 CB MET A 76 -6.727 -6.940 0.789 1.00 0.17 C ATOM 311 CG MET A 76 -5.614 -7.773 0.164 1.00 0.23 C ATOM 312 SD MET A 76 -5.896 -9.545 0.367 1.00 0.51 S ATOM 313 CE MET A 76 -4.622 -10.206 -0.702 1.00 1.35 C ATOM 0 H MET A 76 -8.681 -6.105 2.122 1.00 0.13 H new ATOM 0 HA MET A 76 -6.867 -8.245 2.470 1.00 0.15 H new ATOM 0 HB2 MET A 76 -7.670 -7.176 0.296 1.00 0.17 H new ATOM 0 HB3 MET A 76 -6.528 -5.884 0.607 1.00 0.17 H new ATOM 0 HG2 MET A 76 -5.538 -7.538 -0.898 1.00 0.23 H new ATOM 0 HG3 MET A 76 -4.661 -7.504 0.619 1.00 0.23 H new ATOM 0 HE1 MET A 76 -4.944 -11.169 -1.099 1.00 1.35 H new ATOM 0 HE2 MET A 76 -4.443 -9.515 -1.526 1.00 1.35 H new ATOM 0 HE3 MET A 76 -3.702 -10.338 -0.133 1.00 1.35 H new ATOM 323 N ALA A 77 -5.793 -5.178 3.068 1.00 0.15 N ATOM 324 CA ALA A 77 -4.764 -4.397 3.729 1.00 0.19 C ATOM 325 C ALA A 77 -4.732 -4.674 5.227 1.00 0.26 C ATOM 326 O ALA A 77 -3.671 -4.685 5.844 1.00 0.47 O ATOM 327 CB ALA A 77 -4.974 -2.915 3.476 1.00 0.17 C ATOM 0 H ALA A 77 -6.549 -4.625 2.664 1.00 0.15 H new ATOM 0 HA ALA A 77 -3.803 -4.695 3.309 1.00 0.19 H new ATOM 0 HB1 ALA A 77 -4.193 -2.346 3.980 1.00 0.17 H new ATOM 0 HB2 ALA A 77 -4.932 -2.719 2.405 1.00 0.17 H new ATOM 0 HB3 ALA A 77 -5.948 -2.614 3.862 1.00 0.17 H new ATOM 333 N LYS A 78 -5.906 -4.909 5.799 1.00 0.17 N ATOM 334 CA LYS A 78 -6.030 -5.159 7.224 1.00 0.21 C ATOM 335 C LYS A 78 -5.717 -6.613 7.560 1.00 0.19 C ATOM 336 O LYS A 78 -5.677 -6.996 8.728 1.00 0.33 O ATOM 337 CB LYS A 78 -7.443 -4.836 7.675 1.00 0.32 C ATOM 338 CG LYS A 78 -7.893 -3.438 7.300 1.00 0.54 C ATOM 339 CD LYS A 78 -8.130 -2.567 8.520 1.00 0.46 C ATOM 340 CE LYS A 78 -9.086 -1.433 8.197 1.00 0.58 C ATOM 341 NZ LYS A 78 -9.368 -0.592 9.386 1.00 1.30 N ATOM 0 H LYS A 78 -6.790 -4.931 5.291 1.00 0.17 H new ATOM 0 HA LYS A 78 -5.313 -4.523 7.743 1.00 0.21 H new ATOM 0 HB2 LYS A 78 -8.130 -5.560 7.237 1.00 0.32 H new ATOM 0 HB3 LYS A 78 -7.506 -4.951 8.757 1.00 0.32 H new ATOM 0 HG2 LYS A 78 -7.139 -2.973 6.665 1.00 0.54 H new ATOM 0 HG3 LYS A 78 -8.810 -3.498 6.714 1.00 0.54 H new ATOM 0 HD2 LYS A 78 -8.537 -3.172 9.330 1.00 0.46 H new ATOM 0 HD3 LYS A 78 -7.182 -2.160 8.871 1.00 0.46 H new ATOM 0 HE2 LYS A 78 -8.661 -0.814 7.407 1.00 0.58 H new ATOM 0 HE3 LYS A 78 -10.020 -1.844 7.813 1.00 0.58 H new ATOM 0 HZ1 LYS A 78 -10.024 0.171 9.124 1.00 1.30 H new ATOM 0 HZ2 LYS A 78 -9.797 -1.177 10.131 1.00 1.30 H new ATOM 0 HZ3 LYS A 78 -8.481 -0.179 9.738 1.00 1.30 H new ATOM 355 N SER A 79 -5.510 -7.418 6.530 1.00 0.13 N ATOM 356 CA SER A 79 -5.255 -8.837 6.707 1.00 0.14 C ATOM 357 C SER A 79 -3.913 -9.042 7.411 1.00 0.15 C ATOM 358 O SER A 79 -3.022 -8.202 7.303 1.00 0.17 O ATOM 359 CB SER A 79 -5.260 -9.542 5.349 1.00 0.21 C ATOM 360 OG SER A 79 -5.160 -10.948 5.480 1.00 0.30 O ATOM 0 H SER A 79 -5.514 -7.110 5.558 1.00 0.13 H new ATOM 0 HA SER A 79 -6.042 -9.268 7.326 1.00 0.14 H new ATOM 0 HB2 SER A 79 -6.176 -9.292 4.814 1.00 0.21 H new ATOM 0 HB3 SER A 79 -4.429 -9.174 4.747 1.00 0.21 H new ATOM 0 HG SER A 79 -4.315 -11.254 5.088 1.00 0.30 H new ATOM 366 N GLN A 80 -3.771 -10.159 8.119 1.00 0.26 N ATOM 367 CA GLN A 80 -2.550 -10.446 8.870 1.00 0.33 C ATOM 368 C GLN A 80 -1.323 -10.409 7.965 1.00 0.27 C ATOM 369 O GLN A 80 -0.251 -9.942 8.367 1.00 0.32 O ATOM 370 CB GLN A 80 -2.652 -11.810 9.556 1.00 0.45 C ATOM 371 CG GLN A 80 -3.749 -11.888 10.605 1.00 1.51 C ATOM 372 CD GLN A 80 -3.537 -10.904 11.735 1.00 1.98 C ATOM 373 OE1 GLN A 80 -4.027 -9.777 11.695 1.00 2.65 O ATOM 374 NE2 GLN A 80 -2.796 -11.319 12.748 1.00 2.42 N ATOM 0 H GLN A 80 -4.487 -10.882 8.189 1.00 0.26 H new ATOM 0 HA GLN A 80 -2.438 -9.672 9.630 1.00 0.33 H new ATOM 0 HB2 GLN A 80 -2.830 -12.574 8.800 1.00 0.45 H new ATOM 0 HB3 GLN A 80 -1.696 -12.043 10.025 1.00 0.45 H new ATOM 0 HG2 GLN A 80 -4.713 -11.694 10.134 1.00 1.51 H new ATOM 0 HG3 GLN A 80 -3.790 -12.899 11.010 1.00 1.51 H new ATOM 0 HE21 GLN A 80 -2.408 -12.262 12.743 1.00 2.42 H new ATOM 0 HE22 GLN A 80 -2.613 -10.696 13.535 1.00 2.42 H new ATOM 383 N SER A 81 -1.492 -10.885 6.741 1.00 0.24 N ATOM 384 CA SER A 81 -0.420 -10.888 5.765 1.00 0.22 C ATOM 385 C SER A 81 -0.039 -9.463 5.360 1.00 0.16 C ATOM 386 O SER A 81 1.128 -9.075 5.444 1.00 0.18 O ATOM 387 CB SER A 81 -0.847 -11.698 4.543 1.00 0.27 C ATOM 388 OG SER A 81 -2.157 -11.333 4.132 1.00 0.99 O ATOM 0 H SER A 81 -2.370 -11.277 6.401 1.00 0.24 H new ATOM 0 HA SER A 81 0.460 -11.349 6.213 1.00 0.22 H new ATOM 0 HB2 SER A 81 -0.145 -11.531 3.726 1.00 0.27 H new ATOM 0 HB3 SER A 81 -0.817 -12.762 4.777 1.00 0.27 H new ATOM 0 HG SER A 81 -2.413 -11.861 3.347 1.00 0.99 H new ATOM 394 N PHE A 82 -1.024 -8.671 4.945 1.00 0.12 N ATOM 395 CA PHE A 82 -0.743 -7.329 4.459 1.00 0.11 C ATOM 396 C PHE A 82 -0.423 -6.382 5.614 1.00 0.12 C ATOM 397 O PHE A 82 0.173 -5.336 5.420 1.00 0.14 O ATOM 398 CB PHE A 82 -1.872 -6.763 3.599 1.00 0.12 C ATOM 399 CG PHE A 82 -1.346 -5.943 2.455 1.00 0.11 C ATOM 400 CD1 PHE A 82 -0.574 -6.537 1.469 1.00 0.09 C ATOM 401 CD2 PHE A 82 -1.598 -4.583 2.372 1.00 0.14 C ATOM 402 CE1 PHE A 82 -0.065 -5.791 0.425 1.00 0.10 C ATOM 403 CE2 PHE A 82 -1.095 -3.835 1.331 1.00 0.13 C ATOM 404 CZ PHE A 82 -0.323 -4.438 0.358 1.00 0.09 C ATOM 0 H PHE A 82 -2.010 -8.933 4.936 1.00 0.12 H new ATOM 0 HA PHE A 82 0.135 -7.411 3.818 1.00 0.11 H new ATOM 0 HB2 PHE A 82 -2.478 -7.581 3.211 1.00 0.12 H new ATOM 0 HB3 PHE A 82 -2.526 -6.147 4.217 1.00 0.12 H new ATOM 0 HD1 PHE A 82 -0.368 -7.596 1.518 1.00 0.09 H new ATOM 0 HD2 PHE A 82 -2.196 -4.104 3.133 1.00 0.14 H new ATOM 0 HE1 PHE A 82 0.534 -6.266 -0.338 1.00 0.10 H new ATOM 0 HE2 PHE A 82 -1.304 -2.777 1.276 1.00 0.13 H new ATOM 0 HZ PHE A 82 0.078 -3.851 -0.455 1.00 0.09 H new ATOM 414 N SER A 83 -0.833 -6.725 6.815 1.00 0.13 N ATOM 415 CA SER A 83 -0.421 -5.958 7.980 1.00 0.17 C ATOM 416 C SER A 83 1.106 -5.965 8.090 1.00 0.21 C ATOM 417 O SER A 83 1.711 -4.974 8.464 1.00 0.40 O ATOM 418 CB SER A 83 -1.060 -6.530 9.251 1.00 0.21 C ATOM 419 OG SER A 83 -0.714 -5.767 10.398 1.00 1.17 O ATOM 0 H SER A 83 -1.443 -7.518 7.014 1.00 0.13 H new ATOM 0 HA SER A 83 -0.759 -4.928 7.866 1.00 0.17 H new ATOM 0 HB2 SER A 83 -2.144 -6.547 9.138 1.00 0.21 H new ATOM 0 HB3 SER A 83 -0.737 -7.562 9.389 1.00 0.21 H new ATOM 0 HG SER A 83 -1.138 -6.157 11.191 1.00 1.17 H new ATOM 425 N THR A 84 1.720 -7.073 7.713 1.00 0.17 N ATOM 426 CA THR A 84 3.152 -7.248 7.873 1.00 0.22 C ATOM 427 C THR A 84 3.947 -6.907 6.605 1.00 0.16 C ATOM 428 O THR A 84 5.061 -6.394 6.697 1.00 0.21 O ATOM 429 CB THR A 84 3.450 -8.705 8.322 1.00 0.36 C ATOM 430 OG1 THR A 84 3.921 -8.720 9.675 1.00 0.80 O ATOM 431 CG2 THR A 84 4.462 -9.400 7.416 1.00 0.64 C ATOM 0 H THR A 84 1.244 -7.870 7.291 1.00 0.17 H new ATOM 0 HA THR A 84 3.479 -6.544 8.638 1.00 0.22 H new ATOM 0 HB THR A 84 2.513 -9.258 8.250 1.00 0.36 H new ATOM 0 HG1 THR A 84 4.859 -9.002 9.692 1.00 0.80 H new ATOM 0 HG21 THR A 84 4.634 -10.415 7.774 1.00 0.64 H new ATOM 0 HG22 THR A 84 4.075 -9.435 6.398 1.00 0.64 H new ATOM 0 HG23 THR A 84 5.401 -8.847 7.428 1.00 0.64 H new ATOM 439 N ARG A 85 3.346 -7.140 5.437 1.00 0.15 N ATOM 440 CA ARG A 85 4.098 -7.270 4.185 1.00 0.16 C ATOM 441 C ARG A 85 5.145 -6.160 3.971 1.00 0.15 C ATOM 442 O ARG A 85 6.334 -6.451 3.880 1.00 0.15 O ATOM 443 CB ARG A 85 3.142 -7.425 2.987 1.00 0.19 C ATOM 444 CG ARG A 85 2.653 -6.132 2.368 1.00 0.17 C ATOM 445 CD ARG A 85 1.892 -5.326 3.368 1.00 0.14 C ATOM 446 NE ARG A 85 1.695 -3.936 2.965 1.00 0.14 N ATOM 447 CZ ARG A 85 1.693 -2.905 3.817 1.00 0.14 C ATOM 448 NH1 ARG A 85 1.778 -3.119 5.127 1.00 0.14 N ATOM 449 NH2 ARG A 85 1.581 -1.663 3.359 1.00 0.19 N ATOM 0 H ARG A 85 2.337 -7.243 5.331 1.00 0.15 H new ATOM 0 HA ARG A 85 4.684 -8.185 4.266 1.00 0.16 H new ATOM 0 HB2 ARG A 85 3.646 -8.008 2.216 1.00 0.19 H new ATOM 0 HB3 ARG A 85 2.276 -8.003 3.309 1.00 0.19 H new ATOM 0 HG2 ARG A 85 3.501 -5.556 1.998 1.00 0.17 H new ATOM 0 HG3 ARG A 85 2.018 -6.351 1.510 1.00 0.17 H new ATOM 0 HD2 ARG A 85 0.920 -5.790 3.533 1.00 0.14 H new ATOM 0 HD3 ARG A 85 2.422 -5.349 4.320 1.00 0.14 H new ATOM 0 HE ARG A 85 1.550 -3.740 1.975 1.00 0.14 H new ATOM 0 HH11 ARG A 85 1.845 -4.072 5.485 1.00 0.14 H new ATOM 0 HH12 ARG A 85 1.776 -2.330 5.774 1.00 0.14 H new ATOM 0 HH21 ARG A 85 1.496 -1.495 2.357 1.00 0.19 H new ATOM 0 HH22 ARG A 85 1.580 -0.878 4.010 1.00 0.19 H new ATOM 463 N ILE A 86 4.726 -4.900 3.936 1.00 0.13 N ATOM 464 CA ILE A 86 5.654 -3.817 3.686 1.00 0.13 C ATOM 465 C ILE A 86 6.233 -3.307 4.998 1.00 0.14 C ATOM 466 O ILE A 86 7.376 -2.865 5.050 1.00 0.16 O ATOM 467 CB ILE A 86 5.005 -2.623 2.949 1.00 0.10 C ATOM 468 CG1 ILE A 86 4.260 -3.062 1.691 1.00 0.14 C ATOM 469 CG2 ILE A 86 6.058 -1.601 2.597 1.00 0.13 C ATOM 470 CD1 ILE A 86 5.001 -4.068 0.856 1.00 0.21 C ATOM 0 H ILE A 86 3.758 -4.611 4.077 1.00 0.13 H new ATOM 0 HA ILE A 86 6.434 -4.229 3.046 1.00 0.13 H new ATOM 0 HB ILE A 86 4.273 -2.178 3.624 1.00 0.10 H new ATOM 0 HG12 ILE A 86 3.298 -3.485 1.981 1.00 0.14 H new ATOM 0 HG13 ILE A 86 4.051 -2.183 1.081 1.00 0.14 H new ATOM 0 HG21 ILE A 86 5.593 -0.763 2.078 1.00 0.13 H new ATOM 0 HG22 ILE A 86 6.536 -1.243 3.509 1.00 0.13 H new ATOM 0 HG23 ILE A 86 6.807 -2.058 1.950 1.00 0.13 H new ATOM 0 HD11 ILE A 86 4.403 -4.327 -0.018 1.00 0.21 H new ATOM 0 HD12 ILE A 86 5.951 -3.643 0.533 1.00 0.21 H new ATOM 0 HD13 ILE A 86 5.187 -4.965 1.447 1.00 0.21 H new ATOM 482 N GLU A 87 5.424 -3.360 6.058 1.00 0.16 N ATOM 483 CA GLU A 87 5.838 -2.902 7.378 1.00 0.20 C ATOM 484 C GLU A 87 7.132 -3.574 7.836 1.00 0.22 C ATOM 485 O GLU A 87 7.903 -2.990 8.599 1.00 0.28 O ATOM 486 CB GLU A 87 4.711 -3.137 8.390 1.00 0.27 C ATOM 487 CG GLU A 87 3.469 -2.317 8.076 1.00 0.40 C ATOM 488 CD GLU A 87 2.450 -2.269 9.195 1.00 0.44 C ATOM 489 OE1 GLU A 87 2.773 -2.767 10.296 1.00 0.56 O ATOM 490 OE2 GLU A 87 1.335 -1.746 8.983 1.00 0.89 O ATOM 0 H GLU A 87 4.470 -3.720 6.023 1.00 0.16 H new ATOM 0 HA GLU A 87 6.041 -1.833 7.314 1.00 0.20 H new ATOM 0 HB2 GLU A 87 4.451 -4.195 8.401 1.00 0.27 H new ATOM 0 HB3 GLU A 87 5.066 -2.886 9.390 1.00 0.27 H new ATOM 0 HG2 GLU A 87 3.773 -1.299 7.834 1.00 0.40 H new ATOM 0 HG3 GLU A 87 2.993 -2.728 7.185 1.00 0.40 H new ATOM 497 N GLU A 88 7.375 -4.786 7.356 1.00 0.25 N ATOM 498 CA GLU A 88 8.612 -5.486 7.666 1.00 0.30 C ATOM 499 C GLU A 88 9.716 -5.117 6.678 1.00 0.32 C ATOM 500 O GLU A 88 10.899 -5.175 7.008 1.00 0.37 O ATOM 501 CB GLU A 88 8.387 -6.999 7.669 1.00 0.42 C ATOM 502 CG GLU A 88 7.557 -7.488 8.849 1.00 0.52 C ATOM 503 CD GLU A 88 7.494 -9.001 8.943 1.00 1.09 C ATOM 504 OE1 GLU A 88 8.353 -9.672 8.328 1.00 1.64 O ATOM 505 OE2 GLU A 88 6.590 -9.527 9.629 1.00 1.54 O ATOM 0 H GLU A 88 6.734 -5.302 6.753 1.00 0.25 H new ATOM 0 HA GLU A 88 8.930 -5.177 8.662 1.00 0.30 H new ATOM 0 HB2 GLU A 88 7.891 -7.286 6.742 1.00 0.42 H new ATOM 0 HB3 GLU A 88 9.354 -7.502 7.682 1.00 0.42 H new ATOM 0 HG2 GLU A 88 7.978 -7.089 9.772 1.00 0.52 H new ATOM 0 HG3 GLU A 88 6.545 -7.092 8.763 1.00 0.52 H new ATOM 512 N LEU A 89 9.326 -4.735 5.469 1.00 0.34 N ATOM 513 CA LEU A 89 10.285 -4.365 4.437 1.00 0.35 C ATOM 514 C LEU A 89 10.770 -2.924 4.608 1.00 0.34 C ATOM 515 O LEU A 89 11.834 -2.554 4.108 1.00 0.38 O ATOM 516 CB LEU A 89 9.675 -4.551 3.051 1.00 0.33 C ATOM 517 CG LEU A 89 10.537 -5.332 2.067 1.00 0.32 C ATOM 518 CD1 LEU A 89 11.985 -4.885 2.109 1.00 0.32 C ATOM 519 CD2 LEU A 89 10.439 -6.817 2.329 1.00 0.37 C ATOM 0 H LEU A 89 8.350 -4.673 5.179 1.00 0.34 H new ATOM 0 HA LEU A 89 11.148 -5.023 4.540 1.00 0.35 H new ATOM 0 HB2 LEU A 89 8.718 -5.062 3.157 1.00 0.33 H new ATOM 0 HB3 LEU A 89 9.466 -3.568 2.628 1.00 0.33 H new ATOM 0 HG LEU A 89 10.154 -5.125 1.068 1.00 0.32 H new ATOM 0 HD11 LEU A 89 12.566 -5.466 1.393 1.00 0.32 H new ATOM 0 HD12 LEU A 89 12.047 -3.827 1.853 1.00 0.32 H new ATOM 0 HD13 LEU A 89 12.385 -5.040 3.111 1.00 0.32 H new ATOM 0 HD21 LEU A 89 11.063 -7.354 1.615 1.00 0.37 H new ATOM 0 HD22 LEU A 89 10.781 -7.031 3.342 1.00 0.37 H new ATOM 0 HD23 LEU A 89 9.403 -7.138 2.220 1.00 0.37 H new ATOM 531 N GLY A 90 10.004 -2.115 5.320 1.00 0.31 N ATOM 532 CA GLY A 90 10.420 -0.752 5.568 1.00 0.31 C ATOM 533 C GLY A 90 9.287 0.255 5.465 1.00 0.26 C ATOM 534 O GLY A 90 9.373 1.350 6.018 1.00 0.29 O ATOM 0 H GLY A 90 9.106 -2.375 5.729 1.00 0.31 H new ATOM 0 HA2 GLY A 90 10.861 -0.690 6.563 1.00 0.31 H new ATOM 0 HA3 GLY A 90 11.200 -0.483 4.856 1.00 0.31 H new ATOM 538 N GLY A 91 8.224 -0.111 4.764 1.00 0.22 N ATOM 539 CA GLY A 91 7.088 0.784 4.622 1.00 0.18 C ATOM 540 C GLY A 91 5.984 0.461 5.617 1.00 0.14 C ATOM 541 O GLY A 91 6.273 -0.083 6.682 1.00 0.16 O ATOM 0 H GLY A 91 8.125 -1.009 4.291 1.00 0.22 H new ATOM 0 HA2 GLY A 91 7.417 1.813 4.766 1.00 0.18 H new ATOM 0 HA3 GLY A 91 6.695 0.714 3.608 1.00 0.18 H new ATOM 545 N SER A 92 4.718 0.770 5.275 1.00 0.12 N ATOM 546 CA SER A 92 3.591 0.450 6.155 1.00 0.12 C ATOM 547 C SER A 92 2.241 0.887 5.576 1.00 0.11 C ATOM 548 O SER A 92 2.164 1.392 4.455 1.00 0.12 O ATOM 549 CB SER A 92 3.802 1.066 7.540 1.00 0.16 C ATOM 550 OG SER A 92 4.068 2.456 7.451 1.00 0.21 O ATOM 0 H SER A 92 4.458 1.235 4.405 1.00 0.12 H new ATOM 0 HA SER A 92 3.560 -0.636 6.243 1.00 0.12 H new ATOM 0 HB2 SER A 92 2.915 0.902 8.152 1.00 0.16 H new ATOM 0 HB3 SER A 92 4.632 0.566 8.040 1.00 0.16 H new ATOM 0 HG SER A 92 4.935 2.596 7.016 1.00 0.21 H new ATOM 556 N ILE A 93 1.177 0.633 6.342 1.00 0.14 N ATOM 557 CA ILE A 93 -0.191 0.969 5.942 1.00 0.13 C ATOM 558 C ILE A 93 -0.659 2.266 6.610 1.00 0.14 C ATOM 559 O ILE A 93 -0.351 2.514 7.774 1.00 0.25 O ATOM 560 CB ILE A 93 -1.181 -0.154 6.343 1.00 0.18 C ATOM 561 CG1 ILE A 93 -0.928 -1.444 5.570 1.00 0.18 C ATOM 562 CG2 ILE A 93 -2.610 0.292 6.116 1.00 0.22 C ATOM 563 CD1 ILE A 93 -1.203 -2.682 6.386 1.00 0.24 C ATOM 0 H ILE A 93 1.240 0.188 7.258 1.00 0.14 H new ATOM 0 HA ILE A 93 -0.180 1.089 4.859 1.00 0.13 H new ATOM 0 HB ILE A 93 -1.020 -0.354 7.402 1.00 0.18 H new ATOM 0 HG12 ILE A 93 -1.555 -1.456 4.679 1.00 0.18 H new ATOM 0 HG13 ILE A 93 0.108 -1.461 5.231 1.00 0.18 H new ATOM 0 HG21 ILE A 93 -3.291 -0.509 6.403 1.00 0.22 H new ATOM 0 HG22 ILE A 93 -2.815 1.176 6.719 1.00 0.22 H new ATOM 0 HG23 ILE A 93 -2.754 0.530 5.062 1.00 0.22 H new ATOM 0 HD11 ILE A 93 -1.005 -3.567 5.782 1.00 0.24 H new ATOM 0 HD12 ILE A 93 -0.557 -2.690 7.264 1.00 0.24 H new ATOM 0 HD13 ILE A 93 -2.246 -2.685 6.703 1.00 0.24 H new ATOM 575 N SER A 94 -1.389 3.088 5.865 1.00 0.09 N ATOM 576 CA SER A 94 -2.079 4.241 6.434 1.00 0.12 C ATOM 577 C SER A 94 -3.529 4.249 5.984 1.00 0.14 C ATOM 578 O SER A 94 -3.816 4.452 4.810 1.00 0.19 O ATOM 579 CB SER A 94 -1.417 5.548 5.998 1.00 0.15 C ATOM 580 OG SER A 94 -0.023 5.538 6.265 1.00 0.17 O ATOM 0 H SER A 94 -1.519 2.977 4.859 1.00 0.09 H new ATOM 0 HA SER A 94 -2.024 4.163 7.520 1.00 0.12 H new ATOM 0 HB2 SER A 94 -1.583 5.704 4.932 1.00 0.15 H new ATOM 0 HB3 SER A 94 -1.883 6.385 6.519 1.00 0.15 H new ATOM 0 HG SER A 94 0.441 6.092 5.603 1.00 0.17 H new ATOM 586 N PHE A 95 -4.445 4.013 6.903 1.00 0.15 N ATOM 587 CA PHE A 95 -5.854 4.048 6.564 1.00 0.16 C ATOM 588 C PHE A 95 -6.441 5.426 6.786 1.00 0.18 C ATOM 589 O PHE A 95 -6.468 5.941 7.905 1.00 0.26 O ATOM 590 CB PHE A 95 -6.643 3.013 7.356 1.00 0.18 C ATOM 591 CG PHE A 95 -6.842 1.725 6.622 1.00 0.26 C ATOM 592 CD1 PHE A 95 -5.840 0.778 6.581 1.00 0.39 C ATOM 593 CD2 PHE A 95 -8.038 1.464 5.974 1.00 0.39 C ATOM 594 CE1 PHE A 95 -6.023 -0.414 5.907 1.00 0.50 C ATOM 595 CE2 PHE A 95 -8.229 0.276 5.300 1.00 0.50 C ATOM 596 CZ PHE A 95 -7.221 -0.666 5.267 1.00 0.52 C ATOM 0 H PHE A 95 -4.243 3.797 7.879 1.00 0.15 H new ATOM 0 HA PHE A 95 -5.932 3.805 5.504 1.00 0.16 H new ATOM 0 HB2 PHE A 95 -6.124 2.812 8.293 1.00 0.18 H new ATOM 0 HB3 PHE A 95 -7.617 3.429 7.614 1.00 0.18 H new ATOM 0 HD1 PHE A 95 -4.902 0.970 7.081 1.00 0.39 H new ATOM 0 HD2 PHE A 95 -8.829 2.199 5.997 1.00 0.39 H new ATOM 0 HE1 PHE A 95 -5.231 -1.148 5.881 1.00 0.50 H new ATOM 0 HE2 PHE A 95 -9.166 0.083 4.799 1.00 0.50 H new ATOM 0 HZ PHE A 95 -7.368 -1.598 4.742 1.00 0.52 H new ATOM 606 N LEU A 96 -6.889 6.020 5.701 1.00 0.16 N ATOM 607 CA LEU A 96 -7.599 7.277 5.739 1.00 0.18 C ATOM 608 C LEU A 96 -9.080 6.976 5.518 1.00 0.21 C ATOM 609 O LEU A 96 -9.631 7.218 4.436 1.00 0.23 O ATOM 610 CB LEU A 96 -7.076 8.253 4.663 1.00 0.20 C ATOM 611 CG LEU A 96 -5.546 8.477 4.607 1.00 0.21 C ATOM 612 CD1 LEU A 96 -4.959 8.684 5.994 1.00 0.70 C ATOM 613 CD2 LEU A 96 -4.847 7.327 3.904 1.00 0.79 C ATOM 0 H LEU A 96 -6.769 5.640 4.762 1.00 0.16 H new ATOM 0 HA LEU A 96 -7.444 7.761 6.703 1.00 0.18 H new ATOM 0 HB2 LEU A 96 -7.402 7.890 3.688 1.00 0.20 H new ATOM 0 HB3 LEU A 96 -7.555 9.219 4.820 1.00 0.20 H new ATOM 0 HG LEU A 96 -5.377 9.387 4.031 1.00 0.21 H new ATOM 0 HD11 LEU A 96 -3.883 8.838 5.914 1.00 0.70 H new ATOM 0 HD12 LEU A 96 -5.417 9.558 6.456 1.00 0.70 H new ATOM 0 HD13 LEU A 96 -5.155 7.804 6.607 1.00 0.70 H new ATOM 0 HD21 LEU A 96 -3.773 7.514 3.881 1.00 0.79 H new ATOM 0 HD22 LEU A 96 -5.042 6.399 4.442 1.00 0.79 H new ATOM 0 HD23 LEU A 96 -5.223 7.242 2.884 1.00 0.79 H new ATOM 625 N THR A 97 -9.712 6.417 6.546 1.00 0.24 N ATOM 626 CA THR A 97 -11.065 5.880 6.437 1.00 0.29 C ATOM 627 C THR A 97 -12.116 6.973 6.283 1.00 0.34 C ATOM 628 O THR A 97 -13.292 6.682 6.076 1.00 0.41 O ATOM 629 CB THR A 97 -11.408 4.998 7.654 1.00 0.33 C ATOM 630 OG1 THR A 97 -10.886 5.591 8.851 1.00 0.36 O ATOM 631 CG2 THR A 97 -10.846 3.592 7.480 1.00 0.35 C ATOM 0 H THR A 97 -9.302 6.324 7.475 1.00 0.24 H new ATOM 0 HA THR A 97 -11.083 5.272 5.532 1.00 0.29 H new ATOM 0 HB THR A 97 -12.493 4.926 7.732 1.00 0.33 H new ATOM 0 HG1 THR A 97 -11.109 5.026 9.620 1.00 0.36 H new ATOM 0 HG21 THR A 97 -11.101 2.988 8.351 1.00 0.35 H new ATOM 0 HG22 THR A 97 -11.273 3.138 6.586 1.00 0.35 H new ATOM 0 HG23 THR A 97 -9.762 3.643 7.378 1.00 0.35 H new ATOM 639 N GLU A 98 -11.689 8.225 6.379 1.00 0.34 N ATOM 640 CA GLU A 98 -12.571 9.363 6.142 1.00 0.42 C ATOM 641 C GLU A 98 -13.226 9.277 4.766 1.00 0.38 C ATOM 642 O GLU A 98 -14.404 9.592 4.606 1.00 0.39 O ATOM 643 CB GLU A 98 -11.787 10.667 6.268 1.00 0.52 C ATOM 644 CG GLU A 98 -10.422 10.626 5.602 1.00 0.85 C ATOM 645 CD GLU A 98 -9.617 11.880 5.857 1.00 1.14 C ATOM 646 OE1 GLU A 98 -9.201 12.098 7.013 1.00 1.45 O ATOM 647 OE2 GLU A 98 -9.395 12.654 4.903 1.00 1.39 O ATOM 0 H GLU A 98 -10.732 8.480 6.621 1.00 0.34 H new ATOM 0 HA GLU A 98 -13.360 9.343 6.894 1.00 0.42 H new ATOM 0 HB2 GLU A 98 -12.371 11.476 5.829 1.00 0.52 H new ATOM 0 HB3 GLU A 98 -11.659 10.903 7.324 1.00 0.52 H new ATOM 0 HG2 GLU A 98 -9.868 9.762 5.968 1.00 0.85 H new ATOM 0 HG3 GLU A 98 -10.549 10.491 4.528 1.00 0.85 H new ATOM 654 N THR A 99 -12.458 8.838 3.782 1.00 0.37 N ATOM 655 CA THR A 99 -12.957 8.695 2.426 1.00 0.37 C ATOM 656 C THR A 99 -12.787 7.250 1.941 1.00 0.34 C ATOM 657 O THR A 99 -13.355 6.842 0.925 1.00 0.55 O ATOM 658 CB THR A 99 -12.228 9.684 1.488 1.00 0.44 C ATOM 659 OG1 THR A 99 -12.420 11.021 1.968 1.00 0.50 O ATOM 660 CG2 THR A 99 -12.731 9.586 0.053 1.00 0.49 C ATOM 0 H THR A 99 -11.480 8.573 3.900 1.00 0.37 H new ATOM 0 HA THR A 99 -14.021 8.929 2.414 1.00 0.37 H new ATOM 0 HB THR A 99 -11.169 9.425 1.488 1.00 0.44 H new ATOM 0 HG1 THR A 99 -11.957 11.651 1.376 1.00 0.50 H new ATOM 0 HG21 THR A 99 -12.191 10.298 -0.571 1.00 0.49 H new ATOM 0 HG22 THR A 99 -12.565 8.576 -0.322 1.00 0.49 H new ATOM 0 HG23 THR A 99 -13.797 9.813 0.025 1.00 0.49 H new ATOM 668 N GLY A 100 -12.029 6.466 2.696 1.00 0.19 N ATOM 669 CA GLY A 100 -11.790 5.090 2.315 1.00 0.18 C ATOM 670 C GLY A 100 -10.518 4.944 1.522 1.00 0.16 C ATOM 671 O GLY A 100 -10.493 4.244 0.528 1.00 0.21 O ATOM 0 H GLY A 100 -11.577 6.758 3.563 1.00 0.19 H new ATOM 0 HA2 GLY A 100 -11.734 4.469 3.209 1.00 0.18 H new ATOM 0 HA3 GLY A 100 -12.631 4.725 1.725 1.00 0.18 H new ATOM 675 N VAL A 101 -9.482 5.657 1.909 1.00 0.13 N ATOM 676 CA VAL A 101 -8.212 5.545 1.227 1.00 0.14 C ATOM 677 C VAL A 101 -7.193 4.824 2.096 1.00 0.12 C ATOM 678 O VAL A 101 -7.035 5.143 3.266 1.00 0.23 O ATOM 679 CB VAL A 101 -7.647 6.925 0.864 1.00 0.16 C ATOM 680 CG1 VAL A 101 -6.446 6.771 -0.043 1.00 0.21 C ATOM 681 CG2 VAL A 101 -8.704 7.806 0.219 1.00 0.23 C ATOM 0 H VAL A 101 -9.494 6.316 2.687 1.00 0.13 H new ATOM 0 HA VAL A 101 -8.393 4.976 0.315 1.00 0.14 H new ATOM 0 HB VAL A 101 -7.332 7.417 1.784 1.00 0.16 H new ATOM 0 HG11 VAL A 101 -6.052 7.755 -0.295 1.00 0.21 H new ATOM 0 HG12 VAL A 101 -5.676 6.192 0.467 1.00 0.21 H new ATOM 0 HG13 VAL A 101 -6.743 6.254 -0.956 1.00 0.21 H new ATOM 0 HG21 VAL A 101 -8.270 8.776 -0.025 1.00 0.23 H new ATOM 0 HG22 VAL A 101 -9.067 7.331 -0.692 1.00 0.23 H new ATOM 0 HG23 VAL A 101 -9.534 7.944 0.911 1.00 0.23 H new ATOM 691 N THR A 102 -6.511 3.855 1.524 1.00 0.10 N ATOM 692 CA THR A 102 -5.412 3.202 2.199 1.00 0.09 C ATOM 693 C THR A 102 -4.084 3.608 1.560 1.00 0.09 C ATOM 694 O THR A 102 -3.781 3.212 0.442 1.00 0.10 O ATOM 695 CB THR A 102 -5.545 1.671 2.141 1.00 0.10 C ATOM 696 OG1 THR A 102 -6.816 1.266 2.657 1.00 0.11 O ATOM 697 CG2 THR A 102 -4.442 1.016 2.957 1.00 0.12 C ATOM 0 H THR A 102 -6.701 3.501 0.587 1.00 0.10 H new ATOM 0 HA THR A 102 -5.437 3.517 3.242 1.00 0.09 H new ATOM 0 HB THR A 102 -5.460 1.358 1.100 1.00 0.10 H new ATOM 0 HG1 THR A 102 -6.691 0.812 3.516 1.00 0.11 H new ATOM 0 HG21 THR A 102 -4.548 -0.068 2.908 1.00 0.12 H new ATOM 0 HG22 THR A 102 -3.471 1.305 2.554 1.00 0.12 H new ATOM 0 HG23 THR A 102 -4.515 1.341 3.995 1.00 0.12 H new ATOM 705 N MET A 103 -3.302 4.410 2.256 1.00 0.10 N ATOM 706 CA MET A 103 -1.999 4.816 1.744 1.00 0.10 C ATOM 707 C MET A 103 -0.922 3.818 2.149 1.00 0.10 C ATOM 708 O MET A 103 -0.584 3.704 3.327 1.00 0.13 O ATOM 709 CB MET A 103 -1.616 6.209 2.233 1.00 0.12 C ATOM 710 CG MET A 103 -1.924 7.325 1.246 1.00 0.20 C ATOM 711 SD MET A 103 -3.681 7.551 0.971 1.00 1.26 S ATOM 712 CE MET A 103 -3.727 9.233 0.360 1.00 1.19 C ATOM 0 H MET A 103 -3.540 4.793 3.171 1.00 0.10 H new ATOM 0 HA MET A 103 -2.074 4.840 0.657 1.00 0.10 H new ATOM 0 HB2 MET A 103 -2.141 6.411 3.167 1.00 0.12 H new ATOM 0 HB3 MET A 103 -0.549 6.222 2.457 1.00 0.12 H new ATOM 0 HG2 MET A 103 -1.497 8.257 1.615 1.00 0.20 H new ATOM 0 HG3 MET A 103 -1.438 7.106 0.295 1.00 0.20 H new ATOM 0 HE1 MET A 103 -4.499 9.792 0.890 1.00 1.19 H new ATOM 0 HE2 MET A 103 -2.759 9.706 0.524 1.00 1.19 H new ATOM 0 HE3 MET A 103 -3.951 9.227 -0.707 1.00 1.19 H new ATOM 722 N ILE A 104 -0.396 3.080 1.184 1.00 0.08 N ATOM 723 CA ILE A 104 0.699 2.157 1.455 1.00 0.08 C ATOM 724 C ILE A 104 2.027 2.807 1.156 1.00 0.08 C ATOM 725 O ILE A 104 2.315 3.173 0.023 1.00 0.12 O ATOM 726 CB ILE A 104 0.600 0.830 0.663 1.00 0.08 C ATOM 727 CG1 ILE A 104 -0.434 -0.087 1.302 1.00 0.10 C ATOM 728 CG2 ILE A 104 1.955 0.125 0.590 1.00 0.10 C ATOM 729 CD1 ILE A 104 -1.839 0.184 0.844 1.00 0.10 C ATOM 0 H ILE A 104 -0.706 3.100 0.212 1.00 0.08 H new ATOM 0 HA ILE A 104 0.622 1.912 2.514 1.00 0.08 H new ATOM 0 HB ILE A 104 0.288 1.068 -0.354 1.00 0.08 H new ATOM 0 HG12 ILE A 104 -0.180 -1.122 1.075 1.00 0.10 H new ATOM 0 HG13 ILE A 104 -0.386 0.023 2.385 1.00 0.10 H new ATOM 0 HG21 ILE A 104 1.852 -0.803 0.028 1.00 0.10 H new ATOM 0 HG22 ILE A 104 2.676 0.773 0.092 1.00 0.10 H new ATOM 0 HG23 ILE A 104 2.304 -0.098 1.598 1.00 0.10 H new ATOM 0 HD11 ILE A 104 -2.523 -0.506 1.339 1.00 0.10 H new ATOM 0 HD12 ILE A 104 -2.112 1.209 1.095 1.00 0.10 H new ATOM 0 HD13 ILE A 104 -1.903 0.046 -0.235 1.00 0.10 H new ATOM 741 N GLU A 105 2.826 2.954 2.182 1.00 0.09 N ATOM 742 CA GLU A 105 4.162 3.463 2.024 1.00 0.10 C ATOM 743 C GLU A 105 5.131 2.298 1.829 1.00 0.10 C ATOM 744 O GLU A 105 5.118 1.353 2.608 1.00 0.13 O ATOM 745 CB GLU A 105 4.528 4.296 3.251 1.00 0.13 C ATOM 746 CG GLU A 105 4.558 5.783 2.967 1.00 0.19 C ATOM 747 CD GLU A 105 4.332 6.636 4.200 1.00 0.35 C ATOM 748 OE1 GLU A 105 3.223 6.587 4.773 1.00 0.48 O ATOM 749 OE2 GLU A 105 5.280 7.329 4.624 1.00 0.45 O ATOM 0 H GLU A 105 2.570 2.726 3.143 1.00 0.09 H new ATOM 0 HA GLU A 105 4.224 4.103 1.144 1.00 0.10 H new ATOM 0 HB2 GLU A 105 3.809 4.098 4.046 1.00 0.13 H new ATOM 0 HB3 GLU A 105 5.505 3.982 3.619 1.00 0.13 H new ATOM 0 HG2 GLU A 105 5.521 6.042 2.527 1.00 0.19 H new ATOM 0 HG3 GLU A 105 3.795 6.019 2.226 1.00 0.19 H new ATOM 756 N LEU A 106 5.921 2.351 0.761 1.00 0.12 N ATOM 757 CA LEU A 106 6.893 1.307 0.443 1.00 0.12 C ATOM 758 C LEU A 106 8.132 1.903 -0.204 1.00 0.16 C ATOM 759 O LEU A 106 8.049 2.597 -1.214 1.00 0.19 O ATOM 760 CB LEU A 106 6.262 0.271 -0.489 1.00 0.12 C ATOM 761 CG LEU A 106 7.204 -0.822 -1.016 1.00 0.14 C ATOM 762 CD1 LEU A 106 6.398 -2.020 -1.433 1.00 0.17 C ATOM 763 CD2 LEU A 106 8.018 -0.354 -2.214 1.00 0.16 C ATOM 0 H LEU A 106 5.906 3.119 0.090 1.00 0.12 H new ATOM 0 HA LEU A 106 7.191 0.819 1.371 1.00 0.12 H new ATOM 0 HB2 LEU A 106 5.439 -0.210 0.039 1.00 0.12 H new ATOM 0 HB3 LEU A 106 5.831 0.794 -1.343 1.00 0.12 H new ATOM 0 HG LEU A 106 7.892 -1.070 -0.208 1.00 0.14 H new ATOM 0 HD11 LEU A 106 7.066 -2.796 -1.807 1.00 0.17 H new ATOM 0 HD12 LEU A 106 5.843 -2.401 -0.576 1.00 0.17 H new ATOM 0 HD13 LEU A 106 5.699 -1.733 -2.219 1.00 0.17 H new ATOM 0 HD21 LEU A 106 8.668 -1.162 -2.550 1.00 0.16 H new ATOM 0 HD22 LEU A 106 7.345 -0.070 -3.023 1.00 0.16 H new ATOM 0 HD23 LEU A 106 8.625 0.505 -1.928 1.00 0.16 H new ATOM 775 N PRO A 107 9.302 1.634 0.366 1.00 0.17 N ATOM 776 CA PRO A 107 10.567 2.146 -0.150 1.00 0.21 C ATOM 777 C PRO A 107 11.038 1.406 -1.392 1.00 0.25 C ATOM 778 O PRO A 107 10.820 0.213 -1.541 1.00 0.20 O ATOM 779 CB PRO A 107 11.524 1.897 0.999 1.00 0.23 C ATOM 780 CG PRO A 107 10.984 0.690 1.670 1.00 0.21 C ATOM 781 CD PRO A 107 9.491 0.789 1.555 1.00 0.17 C ATOM 0 HA PRO A 107 10.490 3.189 -0.457 1.00 0.21 H new ATOM 0 HB2 PRO A 107 12.540 1.732 0.642 1.00 0.23 H new ATOM 0 HB3 PRO A 107 11.559 2.748 1.679 1.00 0.23 H new ATOM 0 HG2 PRO A 107 11.353 -0.219 1.195 1.00 0.21 H new ATOM 0 HG3 PRO A 107 11.294 0.652 2.714 1.00 0.21 H new ATOM 0 HD2 PRO A 107 9.031 -0.191 1.430 1.00 0.17 H new ATOM 0 HD3 PRO A 107 9.047 1.239 2.443 1.00 0.17 H new ATOM 789 N LYS A 108 11.724 2.108 -2.269 1.00 0.40 N ATOM 790 CA LYS A 108 12.213 1.503 -3.497 1.00 0.47 C ATOM 791 C LYS A 108 13.448 0.665 -3.220 1.00 0.50 C ATOM 792 O LYS A 108 14.081 0.133 -4.133 1.00 0.59 O ATOM 793 CB LYS A 108 12.503 2.591 -4.516 1.00 0.62 C ATOM 794 CG LYS A 108 11.250 3.351 -4.895 1.00 0.69 C ATOM 795 CD LYS A 108 11.533 4.834 -5.074 1.00 0.99 C ATOM 796 CE LYS A 108 10.256 5.634 -5.277 1.00 0.68 C ATOM 797 NZ LYS A 108 9.519 5.218 -6.497 1.00 1.10 N ATOM 0 H LYS A 108 11.957 3.095 -2.158 1.00 0.40 H new ATOM 0 HA LYS A 108 11.450 0.840 -3.904 1.00 0.47 H new ATOM 0 HB2 LYS A 108 13.240 3.284 -4.109 1.00 0.62 H new ATOM 0 HB3 LYS A 108 12.943 2.146 -5.409 1.00 0.62 H new ATOM 0 HG2 LYS A 108 10.841 2.943 -5.819 1.00 0.69 H new ATOM 0 HG3 LYS A 108 10.492 3.214 -4.123 1.00 0.69 H new ATOM 0 HD2 LYS A 108 12.062 5.211 -4.199 1.00 0.99 H new ATOM 0 HD3 LYS A 108 12.191 4.977 -5.931 1.00 0.99 H new ATOM 0 HE2 LYS A 108 9.611 5.512 -4.407 1.00 0.68 H new ATOM 0 HE3 LYS A 108 10.501 6.694 -5.347 1.00 0.68 H new ATOM 0 HZ1 LYS A 108 8.693 5.835 -6.631 1.00 1.10 H new ATOM 0 HZ2 LYS A 108 10.145 5.294 -7.324 1.00 1.10 H new ATOM 0 HZ3 LYS A 108 9.202 4.233 -6.392 1.00 1.10 H new ATOM 811 N THR A 109 13.776 0.558 -1.944 1.00 0.47 N ATOM 812 CA THR A 109 14.885 -0.260 -1.498 1.00 0.53 C ATOM 813 C THR A 109 14.429 -1.660 -1.089 1.00 0.46 C ATOM 814 O THR A 109 15.260 -2.520 -0.789 1.00 0.53 O ATOM 815 CB THR A 109 15.621 0.411 -0.329 1.00 0.62 C ATOM 816 OG1 THR A 109 14.675 0.852 0.656 1.00 0.61 O ATOM 817 CG2 THR A 109 16.438 1.594 -0.821 1.00 0.72 C ATOM 0 H THR A 109 13.281 1.036 -1.191 1.00 0.47 H new ATOM 0 HA THR A 109 15.569 -0.360 -2.341 1.00 0.53 H new ATOM 0 HB THR A 109 16.296 -0.318 0.119 1.00 0.62 H new ATOM 0 HG1 THR A 109 15.151 1.277 1.399 1.00 0.61 H new ATOM 0 HG21 THR A 109 16.952 2.057 0.021 1.00 0.72 H new ATOM 0 HG22 THR A 109 17.172 1.251 -1.550 1.00 0.72 H new ATOM 0 HG23 THR A 109 15.777 2.324 -1.288 1.00 0.72 H new ATOM 825 N VAL A 110 13.111 -1.895 -1.061 1.00 0.34 N ATOM 826 CA VAL A 110 12.598 -3.242 -0.817 1.00 0.28 C ATOM 827 C VAL A 110 13.026 -4.183 -1.937 1.00 0.25 C ATOM 828 O VAL A 110 13.400 -3.742 -3.029 1.00 0.28 O ATOM 829 CB VAL A 110 11.060 -3.306 -0.711 1.00 0.21 C ATOM 830 CG1 VAL A 110 10.505 -2.187 0.136 1.00 0.21 C ATOM 831 CG2 VAL A 110 10.401 -3.331 -2.070 1.00 0.17 C ATOM 0 H VAL A 110 12.395 -1.182 -1.202 1.00 0.34 H new ATOM 0 HA VAL A 110 13.018 -3.544 0.142 1.00 0.28 H new ATOM 0 HB VAL A 110 10.824 -4.246 -0.212 1.00 0.21 H new ATOM 0 HG11 VAL A 110 9.419 -2.271 0.183 1.00 0.21 H new ATOM 0 HG12 VAL A 110 10.918 -2.253 1.142 1.00 0.21 H new ATOM 0 HG13 VAL A 110 10.776 -1.228 -0.305 1.00 0.21 H new ATOM 0 HG21 VAL A 110 9.319 -3.376 -1.949 1.00 0.17 H new ATOM 0 HG22 VAL A 110 10.667 -2.428 -2.620 1.00 0.17 H new ATOM 0 HG23 VAL A 110 10.741 -4.207 -2.623 1.00 0.17 H new ATOM 841 N SER A 111 12.993 -5.473 -1.661 1.00 0.24 N ATOM 842 CA SER A 111 13.175 -6.462 -2.700 1.00 0.22 C ATOM 843 C SER A 111 12.007 -6.359 -3.685 1.00 0.17 C ATOM 844 O SER A 111 10.878 -6.099 -3.275 1.00 0.18 O ATOM 845 CB SER A 111 13.236 -7.854 -2.074 1.00 0.27 C ATOM 846 OG SER A 111 14.169 -7.886 -1.005 1.00 0.96 O ATOM 0 H SER A 111 12.842 -5.857 -0.728 1.00 0.24 H new ATOM 0 HA SER A 111 14.109 -6.286 -3.234 1.00 0.22 H new ATOM 0 HB2 SER A 111 12.249 -8.137 -1.709 1.00 0.27 H new ATOM 0 HB3 SER A 111 13.518 -8.586 -2.831 1.00 0.27 H new ATOM 0 HG SER A 111 14.191 -8.786 -0.617 1.00 0.96 H new ATOM 852 N GLU A 112 12.272 -6.557 -4.970 1.00 0.21 N ATOM 853 CA GLU A 112 11.259 -6.371 -6.015 1.00 0.26 C ATOM 854 C GLU A 112 10.002 -7.211 -5.749 1.00 0.24 C ATOM 855 O GLU A 112 8.914 -6.862 -6.187 1.00 0.28 O ATOM 856 CB GLU A 112 11.861 -6.727 -7.376 1.00 0.35 C ATOM 857 CG GLU A 112 10.909 -6.570 -8.550 1.00 0.46 C ATOM 858 CD GLU A 112 11.573 -6.909 -9.867 1.00 0.63 C ATOM 859 OE1 GLU A 112 12.236 -7.965 -9.946 1.00 0.80 O ATOM 860 OE2 GLU A 112 11.459 -6.112 -10.821 1.00 1.03 O ATOM 0 H GLU A 112 13.184 -6.848 -5.321 1.00 0.21 H new ATOM 0 HA GLU A 112 10.953 -5.325 -6.010 1.00 0.26 H new ATOM 0 HB2 GLU A 112 12.735 -6.099 -7.547 1.00 0.35 H new ATOM 0 HB3 GLU A 112 12.211 -7.759 -7.345 1.00 0.35 H new ATOM 0 HG2 GLU A 112 10.043 -7.216 -8.404 1.00 0.46 H new ATOM 0 HG3 GLU A 112 10.540 -5.545 -8.583 1.00 0.46 H new ATOM 867 N HIS A 113 10.152 -8.303 -5.012 1.00 0.23 N ATOM 868 CA HIS A 113 9.010 -9.142 -4.636 1.00 0.27 C ATOM 869 C HIS A 113 8.016 -8.364 -3.769 1.00 0.25 C ATOM 870 O HIS A 113 6.830 -8.675 -3.722 1.00 0.41 O ATOM 871 CB HIS A 113 9.491 -10.379 -3.879 1.00 0.32 C ATOM 872 CG HIS A 113 10.168 -11.398 -4.740 1.00 0.40 C ATOM 873 ND1 HIS A 113 10.512 -12.656 -4.295 1.00 0.71 N ATOM 874 CD2 HIS A 113 10.570 -11.336 -6.028 1.00 0.46 C ATOM 875 CE1 HIS A 113 11.102 -13.320 -5.274 1.00 0.73 C ATOM 876 NE2 HIS A 113 11.147 -12.540 -6.337 1.00 0.55 N ATOM 0 H HIS A 113 11.051 -8.633 -4.660 1.00 0.23 H new ATOM 0 HA HIS A 113 8.505 -9.450 -5.551 1.00 0.27 H new ATOM 0 HB2 HIS A 113 10.180 -10.066 -3.095 1.00 0.32 H new ATOM 0 HB3 HIS A 113 8.638 -10.845 -3.386 1.00 0.32 H new ATOM 0 HD2 HIS A 113 10.457 -10.492 -6.693 1.00 0.46 H new ATOM 0 HE1 HIS A 113 11.482 -14.329 -5.214 1.00 0.73 H new ATOM 0 HE2 HIS A 113 11.546 -12.792 -7.241 1.00 0.55 H new ATOM 885 N ASP A 114 8.521 -7.354 -3.089 1.00 0.23 N ATOM 886 CA ASP A 114 7.717 -6.507 -2.213 1.00 0.26 C ATOM 887 C ASP A 114 7.195 -5.318 -2.998 1.00 0.25 C ATOM 888 O ASP A 114 6.007 -4.998 -2.970 1.00 0.33 O ATOM 889 CB ASP A 114 8.601 -6.064 -1.045 1.00 0.31 C ATOM 890 CG ASP A 114 7.930 -5.230 0.015 1.00 1.20 C ATOM 891 OD1 ASP A 114 7.840 -4.002 -0.172 1.00 2.05 O ATOM 892 OD2 ASP A 114 7.431 -5.802 0.989 1.00 1.13 O ATOM 0 H ASP A 114 9.506 -7.092 -3.125 1.00 0.23 H new ATOM 0 HA ASP A 114 6.855 -7.049 -1.824 1.00 0.26 H new ATOM 0 HB2 ASP A 114 9.014 -6.954 -0.571 1.00 0.31 H new ATOM 0 HB3 ASP A 114 9.441 -5.498 -1.446 1.00 0.31 H new ATOM 897 N MET A 115 8.092 -4.709 -3.752 1.00 0.23 N ATOM 898 CA MET A 115 7.761 -3.540 -4.548 1.00 0.23 C ATOM 899 C MET A 115 6.806 -3.894 -5.682 1.00 0.24 C ATOM 900 O MET A 115 5.907 -3.127 -6.013 1.00 0.47 O ATOM 901 CB MET A 115 9.032 -2.923 -5.119 1.00 0.20 C ATOM 902 CG MET A 115 8.786 -1.638 -5.881 1.00 0.22 C ATOM 903 SD MET A 115 10.278 -0.996 -6.660 1.00 0.22 S ATOM 904 CE MET A 115 9.600 0.383 -7.571 1.00 1.62 C ATOM 0 H MET A 115 9.064 -5.008 -3.830 1.00 0.23 H new ATOM 0 HA MET A 115 7.265 -2.820 -3.898 1.00 0.23 H new ATOM 0 HB2 MET A 115 9.729 -2.726 -4.305 1.00 0.20 H new ATOM 0 HB3 MET A 115 9.511 -3.644 -5.782 1.00 0.20 H new ATOM 0 HG2 MET A 115 8.028 -1.813 -6.645 1.00 0.22 H new ATOM 0 HG3 MET A 115 8.385 -0.888 -5.200 1.00 0.22 H new ATOM 0 HE1 MET A 115 10.399 0.890 -8.112 1.00 1.62 H new ATOM 0 HE2 MET A 115 8.856 0.020 -8.280 1.00 1.62 H new ATOM 0 HE3 MET A 115 9.131 1.081 -6.878 1.00 1.62 H new ATOM 914 N ASP A 116 7.020 -5.039 -6.297 1.00 0.15 N ATOM 915 CA ASP A 116 6.148 -5.479 -7.373 1.00 0.18 C ATOM 916 C ASP A 116 4.986 -6.296 -6.830 1.00 0.19 C ATOM 917 O ASP A 116 3.853 -5.837 -6.838 1.00 0.24 O ATOM 918 CB ASP A 116 6.914 -6.285 -8.421 1.00 0.23 C ATOM 919 CG ASP A 116 6.081 -6.542 -9.660 1.00 0.42 C ATOM 920 OD1 ASP A 116 6.116 -5.703 -10.588 1.00 0.61 O ATOM 921 OD2 ASP A 116 5.384 -7.573 -9.718 1.00 0.64 O ATOM 0 H ASP A 116 7.783 -5.679 -6.075 1.00 0.15 H new ATOM 0 HA ASP A 116 5.752 -4.585 -7.856 1.00 0.18 H new ATOM 0 HB2 ASP A 116 7.821 -5.749 -8.699 1.00 0.23 H new ATOM 0 HB3 ASP A 116 7.226 -7.236 -7.990 1.00 0.23 H new ATOM 926 N GLN A 117 5.280 -7.485 -6.315 1.00 0.17 N ATOM 927 CA GLN A 117 4.238 -8.446 -5.947 1.00 0.18 C ATOM 928 C GLN A 117 3.377 -7.972 -4.770 1.00 0.15 C ATOM 929 O GLN A 117 2.183 -8.246 -4.742 1.00 0.17 O ATOM 930 CB GLN A 117 4.855 -9.807 -5.629 1.00 0.23 C ATOM 931 CG GLN A 117 3.843 -10.882 -5.267 1.00 0.96 C ATOM 932 CD GLN A 117 2.927 -11.245 -6.420 1.00 1.67 C ATOM 933 OE1 GLN A 117 1.860 -10.654 -6.596 1.00 2.42 O ATOM 934 NE2 GLN A 117 3.337 -12.218 -7.214 1.00 2.30 N ATOM 0 H GLN A 117 6.231 -7.810 -6.142 1.00 0.17 H new ATOM 0 HA GLN A 117 3.578 -8.535 -6.810 1.00 0.18 H new ATOM 0 HB2 GLN A 117 5.431 -10.142 -6.491 1.00 0.23 H new ATOM 0 HB3 GLN A 117 5.556 -9.691 -4.803 1.00 0.23 H new ATOM 0 HG2 GLN A 117 4.373 -11.775 -4.936 1.00 0.96 H new ATOM 0 HG3 GLN A 117 3.241 -10.538 -4.426 1.00 0.96 H new ATOM 0 HE21 GLN A 117 4.227 -12.682 -7.034 1.00 2.30 H new ATOM 0 HE22 GLN A 117 2.763 -12.505 -8.007 1.00 2.30 H new ATOM 943 N LEU A 118 3.956 -7.272 -3.801 1.00 0.14 N ATOM 944 CA LEU A 118 3.159 -6.795 -2.672 1.00 0.13 C ATOM 945 C LEU A 118 2.373 -5.550 -3.032 1.00 0.12 C ATOM 946 O LEU A 118 1.216 -5.411 -2.648 1.00 0.13 O ATOM 947 CB LEU A 118 3.994 -6.552 -1.432 1.00 0.12 C ATOM 948 CG LEU A 118 4.352 -7.819 -0.661 1.00 0.15 C ATOM 949 CD1 LEU A 118 5.252 -7.488 0.504 1.00 0.18 C ATOM 950 CD2 LEU A 118 3.097 -8.522 -0.164 1.00 0.16 C ATOM 0 H LEU A 118 4.945 -7.026 -3.770 1.00 0.14 H new ATOM 0 HA LEU A 118 2.455 -7.594 -2.439 1.00 0.13 H new ATOM 0 HB2 LEU A 118 4.914 -6.044 -1.721 1.00 0.12 H new ATOM 0 HB3 LEU A 118 3.452 -5.878 -0.769 1.00 0.12 H new ATOM 0 HG LEU A 118 4.880 -8.490 -1.338 1.00 0.15 H new ATOM 0 HD11 LEU A 118 5.499 -8.402 1.044 1.00 0.18 H new ATOM 0 HD12 LEU A 118 6.168 -7.025 0.136 1.00 0.18 H new ATOM 0 HD13 LEU A 118 4.740 -6.797 1.174 1.00 0.18 H new ATOM 0 HD21 LEU A 118 3.377 -9.423 0.383 1.00 0.16 H new ATOM 0 HD22 LEU A 118 2.543 -7.854 0.496 1.00 0.16 H new ATOM 0 HD23 LEU A 118 2.471 -8.793 -1.014 1.00 0.16 H new ATOM 962 N LEU A 119 2.988 -4.637 -3.764 1.00 0.13 N ATOM 963 CA LEU A 119 2.215 -3.521 -4.332 1.00 0.13 C ATOM 964 C LEU A 119 1.202 -4.030 -5.349 1.00 0.13 C ATOM 965 O LEU A 119 0.261 -3.331 -5.718 1.00 0.14 O ATOM 966 CB LEU A 119 3.107 -2.471 -4.976 1.00 0.14 C ATOM 967 CG LEU A 119 4.104 -1.819 -4.031 1.00 0.11 C ATOM 968 CD1 LEU A 119 4.642 -0.541 -4.641 1.00 0.12 C ATOM 969 CD2 LEU A 119 3.459 -1.563 -2.673 1.00 0.17 C ATOM 0 H LEU A 119 3.985 -4.634 -3.980 1.00 0.13 H new ATOM 0 HA LEU A 119 1.690 -3.048 -3.502 1.00 0.13 H new ATOM 0 HB2 LEU A 119 3.654 -2.933 -5.798 1.00 0.14 H new ATOM 0 HB3 LEU A 119 2.477 -1.695 -5.410 1.00 0.14 H new ATOM 0 HG LEU A 119 4.944 -2.496 -3.876 1.00 0.11 H new ATOM 0 HD11 LEU A 119 5.355 -0.083 -3.956 1.00 0.12 H new ATOM 0 HD12 LEU A 119 5.140 -0.769 -5.583 1.00 0.12 H new ATOM 0 HD13 LEU A 119 3.819 0.150 -4.824 1.00 0.12 H new ATOM 0 HD21 LEU A 119 4.185 -1.096 -2.008 1.00 0.17 H new ATOM 0 HD22 LEU A 119 2.602 -0.901 -2.796 1.00 0.17 H new ATOM 0 HD23 LEU A 119 3.129 -2.509 -2.243 1.00 0.17 H new ATOM 981 N HIS A 120 1.421 -5.246 -5.812 1.00 0.13 N ATOM 982 CA HIS A 120 0.489 -5.919 -6.698 1.00 0.13 C ATOM 983 C HIS A 120 -0.539 -6.679 -5.879 1.00 0.13 C ATOM 984 O HIS A 120 -1.628 -6.955 -6.354 1.00 0.14 O ATOM 985 CB HIS A 120 1.244 -6.878 -7.607 1.00 0.14 C ATOM 986 CG HIS A 120 0.434 -7.485 -8.718 1.00 0.21 C ATOM 987 ND1 HIS A 120 0.632 -7.180 -10.048 1.00 0.30 N ATOM 988 CD2 HIS A 120 -0.566 -8.397 -8.692 1.00 0.25 C ATOM 989 CE1 HIS A 120 -0.210 -7.876 -10.788 1.00 0.37 C ATOM 990 NE2 HIS A 120 -0.947 -8.623 -9.988 1.00 0.34 N ATOM 0 H HIS A 120 2.250 -5.795 -5.585 1.00 0.13 H new ATOM 0 HA HIS A 120 -0.023 -5.178 -7.312 1.00 0.13 H new ATOM 0 HB2 HIS A 120 2.090 -6.347 -8.045 1.00 0.14 H new ATOM 0 HB3 HIS A 120 1.654 -7.683 -6.997 1.00 0.14 H new ATOM 0 HD2 HIS A 120 -0.986 -8.861 -7.812 1.00 0.25 H new ATOM 0 HE1 HIS A 120 -0.283 -7.840 -11.865 1.00 0.37 H new ATOM 0 HE2 HIS A 120 -1.681 -9.265 -10.286 1.00 0.34 H new ATOM 999 N ASP A 121 -0.187 -7.012 -4.642 1.00 0.12 N ATOM 1000 CA ASP A 121 -1.127 -7.642 -3.717 1.00 0.12 C ATOM 1001 C ASP A 121 -2.256 -6.663 -3.494 1.00 0.11 C ATOM 1002 O ASP A 121 -3.413 -7.024 -3.291 1.00 0.13 O ATOM 1003 CB ASP A 121 -0.445 -7.959 -2.381 1.00 0.14 C ATOM 1004 CG ASP A 121 -1.227 -8.936 -1.527 1.00 0.23 C ATOM 1005 OD1 ASP A 121 -1.101 -10.157 -1.742 1.00 0.42 O ATOM 1006 OD2 ASP A 121 -1.996 -8.476 -0.652 1.00 0.42 O ATOM 0 H ASP A 121 0.744 -6.857 -4.255 1.00 0.12 H new ATOM 0 HA ASP A 121 -1.494 -8.581 -4.133 1.00 0.12 H new ATOM 0 HB2 ASP A 121 0.546 -8.369 -2.575 1.00 0.14 H new ATOM 0 HB3 ASP A 121 -0.303 -7.033 -1.824 1.00 0.14 H new ATOM 1011 N ILE A 122 -1.871 -5.400 -3.573 1.00 0.10 N ATOM 1012 CA ILE A 122 -2.795 -4.295 -3.570 1.00 0.10 C ATOM 1013 C ILE A 122 -3.799 -4.442 -4.706 1.00 0.10 C ATOM 1014 O ILE A 122 -5.010 -4.410 -4.497 1.00 0.11 O ATOM 1015 CB ILE A 122 -2.017 -2.970 -3.715 1.00 0.10 C ATOM 1016 CG1 ILE A 122 -0.986 -2.875 -2.590 1.00 0.10 C ATOM 1017 CG2 ILE A 122 -2.960 -1.783 -3.713 1.00 0.11 C ATOM 1018 CD1 ILE A 122 -0.246 -1.562 -2.520 1.00 0.10 C ATOM 0 H ILE A 122 -0.893 -5.117 -3.642 1.00 0.10 H new ATOM 0 HA ILE A 122 -3.340 -4.289 -2.626 1.00 0.10 H new ATOM 0 HB ILE A 122 -1.496 -2.955 -4.673 1.00 0.10 H new ATOM 0 HG12 ILE A 122 -1.491 -3.043 -1.639 1.00 0.10 H new ATOM 0 HG13 ILE A 122 -0.260 -3.679 -2.712 1.00 0.10 H new ATOM 0 HG21 ILE A 122 -2.386 -0.862 -3.816 1.00 0.11 H new ATOM 0 HG22 ILE A 122 -3.658 -1.871 -4.546 1.00 0.11 H new ATOM 0 HG23 ILE A 122 -3.515 -1.761 -2.775 1.00 0.11 H new ATOM 0 HD11 ILE A 122 0.463 -1.588 -1.692 1.00 0.10 H new ATOM 0 HD12 ILE A 122 0.292 -1.397 -3.454 1.00 0.10 H new ATOM 0 HD13 ILE A 122 -0.957 -0.751 -2.363 1.00 0.10 H new ATOM 1030 N LEU A 123 -3.275 -4.645 -5.901 1.00 0.11 N ATOM 1031 CA LEU A 123 -4.097 -4.829 -7.092 1.00 0.12 C ATOM 1032 C LEU A 123 -4.800 -6.181 -7.071 1.00 0.13 C ATOM 1033 O LEU A 123 -5.863 -6.350 -7.662 1.00 0.14 O ATOM 1034 CB LEU A 123 -3.229 -4.725 -8.348 1.00 0.14 C ATOM 1035 CG LEU A 123 -2.985 -3.313 -8.889 1.00 0.15 C ATOM 1036 CD1 LEU A 123 -2.308 -2.437 -7.848 1.00 0.16 C ATOM 1037 CD2 LEU A 123 -2.140 -3.379 -10.149 1.00 0.20 C ATOM 0 H LEU A 123 -2.271 -4.688 -6.077 1.00 0.11 H new ATOM 0 HA LEU A 123 -4.854 -4.045 -7.103 1.00 0.12 H new ATOM 0 HB2 LEU A 123 -2.262 -5.181 -8.135 1.00 0.14 H new ATOM 0 HB3 LEU A 123 -3.694 -5.318 -9.136 1.00 0.14 H new ATOM 0 HG LEU A 123 -3.951 -2.867 -9.128 1.00 0.15 H new ATOM 0 HD11 LEU A 123 -2.147 -1.441 -8.260 1.00 0.16 H new ATOM 0 HD12 LEU A 123 -2.942 -2.366 -6.964 1.00 0.16 H new ATOM 0 HD13 LEU A 123 -1.349 -2.875 -7.572 1.00 0.16 H new ATOM 0 HD21 LEU A 123 -1.971 -2.371 -10.527 1.00 0.20 H new ATOM 0 HD22 LEU A 123 -1.182 -3.846 -9.921 1.00 0.20 H new ATOM 0 HD23 LEU A 123 -2.659 -3.968 -10.905 1.00 0.20 H new ATOM 1049 N ALA A 124 -4.194 -7.139 -6.386 1.00 0.14 N ATOM 1050 CA ALA A 124 -4.772 -8.463 -6.217 1.00 0.16 C ATOM 1051 C ALA A 124 -6.023 -8.377 -5.354 1.00 0.17 C ATOM 1052 O ALA A 124 -6.850 -9.288 -5.327 1.00 0.23 O ATOM 1053 CB ALA A 124 -3.747 -9.401 -5.594 1.00 0.17 C ATOM 0 H ALA A 124 -3.288 -7.020 -5.932 1.00 0.14 H new ATOM 0 HA ALA A 124 -5.054 -8.861 -7.192 1.00 0.16 H new ATOM 0 HB1 ALA A 124 -4.187 -10.391 -5.471 1.00 0.17 H new ATOM 0 HB2 ALA A 124 -2.875 -9.470 -6.244 1.00 0.17 H new ATOM 0 HB3 ALA A 124 -3.444 -9.015 -4.621 1.00 0.17 H new ATOM 1059 N ALA A 125 -6.149 -7.256 -4.663 1.00 0.13 N ATOM 1060 CA ALA A 125 -7.312 -6.970 -3.849 1.00 0.14 C ATOM 1061 C ALA A 125 -8.279 -6.091 -4.617 1.00 0.14 C ATOM 1062 O ALA A 125 -9.351 -5.744 -4.131 1.00 0.20 O ATOM 1063 CB ALA A 125 -6.887 -6.276 -2.573 1.00 0.15 C ATOM 0 H ALA A 125 -5.444 -6.519 -4.653 1.00 0.13 H new ATOM 0 HA ALA A 125 -7.809 -7.907 -3.598 1.00 0.14 H new ATOM 0 HB1 ALA A 125 -7.766 -6.063 -1.964 1.00 0.15 H new ATOM 0 HB2 ALA A 125 -6.208 -6.922 -2.016 1.00 0.15 H new ATOM 0 HB3 ALA A 125 -6.381 -5.342 -2.818 1.00 0.15 H new ATOM 1069 N GLY A 126 -7.872 -5.725 -5.820 1.00 0.13 N ATOM 1070 CA GLY A 126 -8.648 -4.817 -6.624 1.00 0.16 C ATOM 1071 C GLY A 126 -8.281 -3.385 -6.329 1.00 0.15 C ATOM 1072 O GLY A 126 -8.859 -2.456 -6.890 1.00 0.21 O ATOM 0 H GLY A 126 -7.007 -6.047 -6.255 1.00 0.13 H new ATOM 0 HA2 GLY A 126 -8.482 -5.028 -7.680 1.00 0.16 H new ATOM 0 HA3 GLY A 126 -9.710 -4.971 -6.431 1.00 0.16 H new ATOM 1076 N GLY A 127 -7.304 -3.226 -5.446 1.00 0.15 N ATOM 1077 CA GLY A 127 -6.862 -1.920 -5.020 1.00 0.16 C ATOM 1078 C GLY A 127 -6.126 -1.174 -6.105 1.00 0.19 C ATOM 1079 O GLY A 127 -5.583 -1.777 -7.034 1.00 0.35 O ATOM 0 H GLY A 127 -6.802 -4.000 -5.011 1.00 0.15 H new ATOM 0 HA2 GLY A 127 -7.725 -1.334 -4.703 1.00 0.16 H new ATOM 0 HA3 GLY A 127 -6.212 -2.026 -4.152 1.00 0.16 H new ATOM 1083 N VAL A 128 -6.106 0.136 -5.986 1.00 0.16 N ATOM 1084 CA VAL A 128 -5.432 0.980 -6.947 1.00 0.22 C ATOM 1085 C VAL A 128 -4.195 1.590 -6.310 1.00 0.18 C ATOM 1086 O VAL A 128 -4.120 1.701 -5.093 1.00 0.36 O ATOM 1087 CB VAL A 128 -6.361 2.095 -7.453 1.00 0.40 C ATOM 1088 CG1 VAL A 128 -7.623 1.500 -8.061 1.00 1.05 C ATOM 1089 CG2 VAL A 128 -6.704 3.066 -6.332 1.00 0.64 C ATOM 0 H VAL A 128 -6.555 0.644 -5.224 1.00 0.16 H new ATOM 0 HA VAL A 128 -5.142 0.366 -7.800 1.00 0.22 H new ATOM 0 HB VAL A 128 -5.837 2.652 -8.229 1.00 0.40 H new ATOM 0 HG11 VAL A 128 -8.270 2.303 -8.414 1.00 1.05 H new ATOM 0 HG12 VAL A 128 -7.355 0.855 -8.898 1.00 1.05 H new ATOM 0 HG13 VAL A 128 -8.149 0.915 -7.307 1.00 1.05 H new ATOM 0 HG21 VAL A 128 -7.362 3.846 -6.715 1.00 0.64 H new ATOM 0 HG22 VAL A 128 -7.207 2.530 -5.527 1.00 0.64 H new ATOM 0 HG23 VAL A 128 -5.789 3.519 -5.950 1.00 0.64 H new ATOM 1099 N VAL A 129 -3.220 1.962 -7.117 1.00 0.21 N ATOM 1100 CA VAL A 129 -1.997 2.541 -6.589 1.00 0.20 C ATOM 1101 C VAL A 129 -1.730 3.917 -7.206 1.00 0.23 C ATOM 1102 O VAL A 129 -1.735 4.076 -8.429 1.00 0.32 O ATOM 1103 CB VAL A 129 -0.790 1.600 -6.809 1.00 0.24 C ATOM 1104 CG1 VAL A 129 -0.947 0.344 -5.963 1.00 0.21 C ATOM 1105 CG2 VAL A 129 -0.629 1.236 -8.281 1.00 0.31 C ATOM 0 H VAL A 129 -3.249 1.875 -8.133 1.00 0.21 H new ATOM 0 HA VAL A 129 -2.131 2.670 -5.515 1.00 0.20 H new ATOM 0 HB VAL A 129 0.112 2.128 -6.499 1.00 0.24 H new ATOM 0 HG11 VAL A 129 -0.092 -0.313 -6.125 1.00 0.21 H new ATOM 0 HG12 VAL A 129 -0.999 0.619 -4.910 1.00 0.21 H new ATOM 0 HG13 VAL A 129 -1.862 -0.175 -6.248 1.00 0.21 H new ATOM 0 HG21 VAL A 129 0.228 0.574 -8.400 1.00 0.31 H new ATOM 0 HG22 VAL A 129 -1.529 0.731 -8.631 1.00 0.31 H new ATOM 0 HG23 VAL A 129 -0.471 2.143 -8.865 1.00 0.31 H new ATOM 1115 N GLY A 130 -1.536 4.914 -6.351 1.00 0.35 N ATOM 1116 CA GLY A 130 -1.247 6.259 -6.820 1.00 0.36 C ATOM 1117 C GLY A 130 -0.124 6.898 -6.028 1.00 0.44 C ATOM 1118 O GLY A 130 -0.017 6.684 -4.827 1.00 0.85 O ATOM 0 H GLY A 130 -1.574 4.816 -5.336 1.00 0.35 H new ATOM 0 HA2 GLY A 130 -0.976 6.226 -7.875 1.00 0.36 H new ATOM 0 HA3 GLY A 130 -2.144 6.873 -6.740 1.00 0.36 H new ATOM 1122 N LEU A 131 0.700 7.692 -6.689 1.00 0.32 N ATOM 1123 CA LEU A 131 1.894 8.251 -6.062 1.00 0.33 C ATOM 1124 C LEU A 131 1.554 9.427 -5.153 1.00 0.32 C ATOM 1125 O LEU A 131 1.203 10.512 -5.621 1.00 0.45 O ATOM 1126 CB LEU A 131 2.918 8.688 -7.123 1.00 0.37 C ATOM 1127 CG LEU A 131 3.687 7.562 -7.832 1.00 0.46 C ATOM 1128 CD1 LEU A 131 4.370 6.657 -6.817 1.00 0.97 C ATOM 1129 CD2 LEU A 131 2.772 6.755 -8.744 1.00 1.17 C ATOM 0 H LEU A 131 0.567 7.967 -7.662 1.00 0.32 H new ATOM 0 HA LEU A 131 2.333 7.464 -5.449 1.00 0.33 H new ATOM 0 HB2 LEU A 131 2.397 9.276 -7.879 1.00 0.37 H new ATOM 0 HB3 LEU A 131 3.642 9.350 -6.648 1.00 0.37 H new ATOM 0 HG LEU A 131 4.454 8.023 -8.455 1.00 0.46 H new ATOM 0 HD11 LEU A 131 4.909 5.866 -7.339 1.00 0.97 H new ATOM 0 HD12 LEU A 131 5.071 7.242 -6.222 1.00 0.97 H new ATOM 0 HD13 LEU A 131 3.620 6.213 -6.162 1.00 0.97 H new ATOM 0 HD21 LEU A 131 3.346 5.967 -9.230 1.00 1.17 H new ATOM 0 HD22 LEU A 131 1.971 6.309 -8.154 1.00 1.17 H new ATOM 0 HD23 LEU A 131 2.343 7.411 -9.501 1.00 1.17 H new ATOM 1141 N ASP A 132 1.645 9.190 -3.851 1.00 0.24 N ATOM 1142 CA ASP A 132 1.477 10.235 -2.844 1.00 0.23 C ATOM 1143 C ASP A 132 2.820 10.794 -2.444 1.00 0.39 C ATOM 1144 O ASP A 132 2.941 11.952 -2.043 1.00 0.90 O ATOM 1145 CB ASP A 132 0.773 9.692 -1.603 1.00 0.25 C ATOM 1146 CG ASP A 132 -0.708 9.968 -1.638 1.00 0.65 C ATOM 1147 OD1 ASP A 132 -1.402 9.396 -2.504 1.00 1.06 O ATOM 1148 OD2 ASP A 132 -1.189 10.741 -0.794 1.00 0.98 O ATOM 0 H ASP A 132 1.838 8.268 -3.461 1.00 0.24 H new ATOM 0 HA ASP A 132 0.865 11.023 -3.282 1.00 0.23 H new ATOM 0 HB2 ASP A 132 0.941 8.618 -1.530 1.00 0.25 H new ATOM 0 HB3 ASP A 132 1.207 10.144 -0.711 1.00 0.25 H new ATOM 1153 N SER A 133 3.827 9.957 -2.552 1.00 0.55 N ATOM 1154 CA SER A 133 5.171 10.317 -2.165 1.00 0.69 C ATOM 1155 C SER A 133 6.167 9.522 -2.983 1.00 0.56 C ATOM 1156 O SER A 133 5.788 8.609 -3.709 1.00 0.87 O ATOM 1157 CB SER A 133 5.383 10.020 -0.679 1.00 0.95 C ATOM 1158 OG SER A 133 4.480 10.751 0.130 1.00 1.30 O ATOM 0 H SER A 133 3.736 9.007 -2.911 1.00 0.55 H new ATOM 0 HA SER A 133 5.319 11.382 -2.344 1.00 0.69 H new ATOM 0 HB2 SER A 133 5.253 8.953 -0.498 1.00 0.95 H new ATOM 0 HB3 SER A 133 6.407 10.269 -0.400 1.00 0.95 H new ATOM 0 HG SER A 133 4.640 10.538 1.073 1.00 1.30 H new ATOM 1164 N GLU A 134 7.430 9.883 -2.869 1.00 0.53 N ATOM 1165 CA GLU A 134 8.508 9.082 -3.408 1.00 0.56 C ATOM 1166 C GLU A 134 9.606 8.980 -2.361 1.00 0.58 C ATOM 1167 O GLU A 134 10.192 9.989 -1.974 1.00 1.01 O ATOM 1168 CB GLU A 134 9.010 9.651 -4.741 1.00 0.88 C ATOM 1169 CG GLU A 134 9.303 11.141 -4.727 1.00 0.95 C ATOM 1170 CD GLU A 134 9.458 11.703 -6.124 1.00 1.45 C ATOM 1171 OE1 GLU A 134 10.299 11.185 -6.891 1.00 1.85 O ATOM 1172 OE2 GLU A 134 8.739 12.665 -6.468 1.00 1.80 O ATOM 0 H GLU A 134 7.736 10.737 -2.402 1.00 0.53 H new ATOM 0 HA GLU A 134 8.151 8.077 -3.633 1.00 0.56 H new ATOM 0 HB2 GLU A 134 9.917 9.119 -5.028 1.00 0.88 H new ATOM 0 HB3 GLU A 134 8.265 9.449 -5.510 1.00 0.88 H new ATOM 0 HG2 GLU A 134 8.496 11.664 -4.214 1.00 0.95 H new ATOM 0 HG3 GLU A 134 10.215 11.326 -4.159 1.00 0.95 H new ATOM 1179 N VAL A 135 9.864 7.737 -1.927 1.00 0.43 N ATOM 1180 CA VAL A 135 10.607 7.424 -0.696 1.00 0.38 C ATOM 1181 C VAL A 135 10.445 8.497 0.385 1.00 0.42 C ATOM 1182 O VAL A 135 11.170 9.487 0.431 1.00 0.52 O ATOM 1183 CB VAL A 135 12.106 7.123 -0.937 1.00 0.46 C ATOM 1184 CG1 VAL A 135 12.278 5.667 -1.348 1.00 0.41 C ATOM 1185 CG2 VAL A 135 12.711 8.046 -1.986 1.00 0.62 C ATOM 0 H VAL A 135 9.556 6.905 -2.431 1.00 0.43 H new ATOM 0 HA VAL A 135 10.150 6.505 -0.330 1.00 0.38 H new ATOM 0 HB VAL A 135 12.639 7.304 -0.003 1.00 0.46 H new ATOM 0 HG11 VAL A 135 13.335 5.459 -1.517 1.00 0.41 H new ATOM 0 HG12 VAL A 135 11.902 5.019 -0.556 1.00 0.41 H new ATOM 0 HG13 VAL A 135 11.720 5.480 -2.266 1.00 0.41 H new ATOM 0 HG21 VAL A 135 13.764 7.800 -2.124 1.00 0.62 H new ATOM 0 HG22 VAL A 135 12.182 7.919 -2.931 1.00 0.62 H new ATOM 0 HG23 VAL A 135 12.621 9.081 -1.656 1.00 0.62 H new ATOM 1195 N LYS A 136 9.506 8.196 1.286 1.00 0.40 N ATOM 1196 CA LYS A 136 9.093 9.026 2.422 1.00 0.50 C ATOM 1197 C LYS A 136 9.079 10.533 2.187 1.00 0.54 C ATOM 1198 O LYS A 136 10.116 11.195 2.145 1.00 0.52 O ATOM 1199 CB LYS A 136 9.907 8.699 3.662 1.00 0.60 C ATOM 1200 CG LYS A 136 11.382 8.573 3.399 1.00 0.59 C ATOM 1201 CD LYS A 136 12.139 8.382 4.683 1.00 1.23 C ATOM 1202 CE LYS A 136 12.302 9.694 5.431 1.00 1.54 C ATOM 1203 NZ LYS A 136 13.021 9.512 6.717 1.00 1.86 N ATOM 0 H LYS A 136 8.985 7.320 1.241 1.00 0.40 H new ATOM 0 HA LYS A 136 8.046 8.758 2.568 1.00 0.50 H new ATOM 0 HB2 LYS A 136 9.745 9.477 4.408 1.00 0.60 H new ATOM 0 HB3 LYS A 136 9.542 7.765 4.090 1.00 0.60 H new ATOM 0 HG2 LYS A 136 11.567 7.729 2.734 1.00 0.59 H new ATOM 0 HG3 LYS A 136 11.742 9.466 2.889 1.00 0.59 H new ATOM 0 HD2 LYS A 136 11.614 7.665 5.314 1.00 1.23 H new ATOM 0 HD3 LYS A 136 13.121 7.959 4.469 1.00 1.23 H new ATOM 0 HE2 LYS A 136 12.847 10.402 4.807 1.00 1.54 H new ATOM 0 HE3 LYS A 136 11.320 10.127 5.622 1.00 1.54 H new ATOM 0 HZ1 LYS A 136 13.112 10.430 7.197 1.00 1.86 H new ATOM 0 HZ2 LYS A 136 12.488 8.856 7.323 1.00 1.86 H new ATOM 0 HZ3 LYS A 136 13.968 9.122 6.533 1.00 1.86 H new