USER MOD reduce.3.24.130724 H: found=0, std=0, add=633, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 628 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 47 LYS NZ :NH3+ 159:sc= 0.504 (180deg=-2.24!) USER MOD Set 1.2: A 50 SER OG : rot 101:sc= 0.568! USER MOD Set 2.1: A 42 SER OG : rot 131:sc= 1.31! USER MOD Set 2.2: A 44 THR OG1 : rot 180:sc= -0.241 USER MOD Set 3.1: A 1 HIS : no HD1:sc= -3.95 K(o=-8.4,f=-19!) USER MOD Set 3.2: A 6 HIS : no HE2:sc= -4.49! C(o=-8.4!,f=-13!) USER MOD Single : A 1 HIS N :NH3+ -156:sc= 0.567 (180deg=-0.267!) USER MOD Single : A 2 HIS : no HD1:sc= -5.57 K(o=-5.6,f=-6.1!) USER MOD Single : A 3 SER OG : rot -44:sc= 1 USER MOD Single : A 11 LYS NZ :NH3+ 149:sc= 0.38 (180deg=-2.82!) USER MOD Single : A 16 ASN : amide:sc= 0 X(o=0,f=-0.066) USER MOD Single : A 21 ASN : amide:sc= -2.51! K(o=-2.5!,f=-1.4) USER MOD Single : A 24 SER OG : rot 180:sc= 0.0127 USER MOD Single : A 27 HIS : no HD1:sc=-0.00991 K(o=-0.0099,f=-1.4) USER MOD Single : A 31 SER OG : rot 86:sc= 0.9 USER MOD Single : A 32 THR OG1 : rot -76:sc= 1.09 USER MOD Single : A 34 GLN : amide:sc= 0 X(o=0,f=-0.0056) USER MOD Single : A 39 LYS NZ :NH3+ -172:sc= -1.03 (180deg=-1.57) USER MOD Single : A 45 GLN : amide:sc= 0 K(o=0,f=-0.61) USER MOD Single : A 49 HIS : no HD1:sc= -0.0888 X(o=-0.089,f=0) USER MOD Single : A 51 THR OG1 : rot 55:sc= 0.304 USER MOD Single : A 57 LYS NZ :NH3+ -125:sc= -1.35! (180deg=-6.73!) USER MOD Single : A 70 GLN : amide:sc= -3.15! K(o=-3.2!,f=-0.3) USER MOD Single : A 71 ASN : amide:sc= -0.337! K(o=-0.34!,f=-1.2) USER MOD Single : A 74 GLN : amide:sc= -3.31 K(o=-3.3,f=-4.2!) USER MOD Single : A 75 TYR OH : rot -5:sc= 0.668 USER MOD Single : A 80 ASN : amide:sc= 0.304 X(o=0.3,f=-0.19) USER MOD Single : A 81 ASN : amide:sc= -2.16! K(o=-2.2!,f=-0.52) USER MOD ----------------------------------------------------------------- ATOM 1 N HIS A 1 7.733 14.103 -19.939 1.00 12.45 N ATOM 2 CA HIS A 1 8.918 14.511 -19.139 1.00 12.78 C ATOM 3 C HIS A 1 9.341 15.940 -19.544 1.00 13.85 C ATOM 4 O HIS A 1 10.471 16.162 -19.941 1.00 14.24 O ATOM 5 CB HIS A 1 10.086 13.537 -19.393 1.00 12.78 C ATOM 6 CG HIS A 1 9.648 12.091 -19.649 1.00 12.39 C ATOM 7 ND1 HIS A 1 9.050 11.377 -18.734 1.00 12.24 N ATOM 8 CD2 HIS A 1 9.727 11.303 -20.769 1.00 12.49 C ATOM 9 CE1 HIS A 1 8.754 10.202 -19.246 1.00 12.27 C ATOM 10 NE2 HIS A 1 9.171 10.166 -20.484 1.00 12.45 N ATOM 0 H1 HIS A 1 7.206 13.366 -19.428 1.00 12.45 H new ATOM 0 H2 HIS A 1 7.117 14.927 -20.092 1.00 12.45 H new ATOM 0 H3 HIS A 1 8.046 13.730 -20.858 1.00 12.45 H new ATOM 0 HA HIS A 1 8.661 14.490 -18.080 1.00 12.78 H new ATOM 0 HB2 HIS A 1 10.659 13.889 -20.251 1.00 12.78 H new ATOM 0 HB3 HIS A 1 10.755 13.556 -18.533 1.00 12.78 H new ATOM 0 HD2 HIS A 1 10.171 11.578 -21.714 1.00 12.49 H new ATOM 0 HE1 HIS A 1 8.250 9.399 -18.729 1.00 12.27 H new ATOM 0 HE2 HIS A 1 9.075 9.375 -21.121 1.00 12.45 H new ATOM 20 N HIS A 2 8.430 16.884 -19.442 1.00 14.57 N ATOM 21 CA HIS A 2 8.773 18.297 -19.817 1.00 15.96 C ATOM 22 C HIS A 2 8.719 19.154 -18.554 1.00 16.39 C ATOM 23 O HIS A 2 9.584 19.976 -18.316 1.00 17.20 O ATOM 24 CB HIS A 2 7.781 18.813 -20.878 1.00 17.00 C ATOM 25 CG HIS A 2 6.413 19.260 -20.352 1.00 17.71 C ATOM 26 ND1 HIS A 2 6.262 20.398 -19.729 1.00 18.51 N ATOM 27 CD2 HIS A 2 5.173 18.682 -20.410 1.00 18.05 C ATOM 28 CE1 HIS A 2 4.993 20.539 -19.408 1.00 19.31 C ATOM 29 NE2 HIS A 2 4.337 19.487 -19.825 1.00 19.06 N ATOM 0 H HIS A 2 7.473 16.739 -19.119 1.00 14.57 H new ATOM 0 HA HIS A 2 9.774 18.347 -20.245 1.00 15.96 H new ATOM 0 HB2 HIS A 2 8.241 19.653 -21.399 1.00 17.00 H new ATOM 0 HB3 HIS A 2 7.626 18.026 -21.616 1.00 17.00 H new ATOM 0 HD2 HIS A 2 4.933 17.730 -20.860 1.00 18.05 H new ATOM 0 HE1 HIS A 2 4.565 21.383 -18.887 1.00 19.31 H new ATOM 0 HE2 HIS A 2 3.336 19.325 -19.710 1.00 19.06 H new ATOM 37 N SER A 3 7.671 18.963 -17.800 1.00 16.11 N ATOM 38 CA SER A 3 7.517 19.704 -16.518 1.00 16.84 C ATOM 39 C SER A 3 7.202 18.691 -15.407 1.00 16.01 C ATOM 40 O SER A 3 6.509 19.004 -14.458 1.00 16.61 O ATOM 41 CB SER A 3 6.381 20.731 -16.654 1.00 18.22 C ATOM 42 OG SER A 3 6.381 21.441 -15.418 1.00 19.04 O ATOM 0 H SER A 3 6.910 18.320 -18.020 1.00 16.11 H new ATOM 0 HA SER A 3 8.435 20.238 -16.271 1.00 16.84 H new ATOM 0 HB2 SER A 3 6.553 21.402 -17.495 1.00 18.22 H new ATOM 0 HB3 SER A 3 5.423 20.241 -16.828 1.00 18.22 H new ATOM 0 HG SER A 3 6.474 20.807 -14.677 1.00 19.04 H new ATOM 48 N GLY A 4 7.705 17.490 -15.556 1.00 14.89 N ATOM 49 CA GLY A 4 7.463 16.449 -14.507 1.00 14.36 C ATOM 50 C GLY A 4 6.563 15.314 -15.006 1.00 12.91 C ATOM 51 O GLY A 4 6.813 14.155 -14.718 1.00 12.49 O ATOM 0 H GLY A 4 8.268 17.186 -16.351 1.00 14.89 H new ATOM 0 HA2 GLY A 4 8.418 16.036 -14.182 1.00 14.36 H new ATOM 0 HA3 GLY A 4 7.005 16.916 -13.635 1.00 14.36 H new ATOM 55 N GLU A 5 5.553 15.650 -15.757 1.00 12.36 N ATOM 56 CA GLU A 5 4.622 14.587 -16.242 1.00 11.09 C ATOM 57 C GLU A 5 5.387 13.502 -17.013 1.00 9.77 C ATOM 58 O GLU A 5 6.483 13.719 -17.509 1.00 9.87 O ATOM 59 CB GLU A 5 3.522 15.246 -17.108 1.00 11.23 C ATOM 60 CG GLU A 5 3.937 15.454 -18.580 1.00 11.64 C ATOM 61 CD GLU A 5 5.303 16.136 -18.732 1.00 12.11 C ATOM 62 OE1 GLU A 5 5.598 17.035 -17.961 1.00 12.73 O ATOM 63 OE2 GLU A 5 5.980 15.733 -19.654 1.00 12.18 O ATOM 0 H GLU A 5 5.331 16.600 -16.054 1.00 12.36 H new ATOM 0 HA GLU A 5 4.150 14.092 -15.394 1.00 11.09 H new ATOM 0 HB2 GLU A 5 2.626 14.626 -17.076 1.00 11.23 H new ATOM 0 HB3 GLU A 5 3.258 16.210 -16.674 1.00 11.23 H new ATOM 0 HG2 GLU A 5 3.963 14.488 -19.084 1.00 11.64 H new ATOM 0 HG3 GLU A 5 3.180 16.056 -19.083 1.00 11.64 H new ATOM 70 N HIS A 6 4.833 12.335 -17.056 1.00 8.92 N ATOM 71 CA HIS A 6 5.497 11.219 -17.777 1.00 8.18 C ATOM 72 C HIS A 6 4.440 10.496 -18.596 1.00 6.70 C ATOM 73 O HIS A 6 3.264 10.755 -18.440 1.00 6.59 O ATOM 74 CB HIS A 6 6.142 10.276 -16.749 1.00 9.17 C ATOM 75 CG HIS A 6 7.540 10.722 -16.296 1.00 10.64 C ATOM 76 ND1 HIS A 6 7.799 11.958 -15.953 1.00 11.55 N ATOM 77 CD2 HIS A 6 8.721 10.031 -16.162 1.00 11.61 C ATOM 78 CE1 HIS A 6 9.066 12.052 -15.628 1.00 12.90 C ATOM 79 NE2 HIS A 6 9.622 10.875 -15.756 1.00 12.92 N ATOM 0 H HIS A 6 3.941 12.099 -16.621 1.00 8.92 H new ATOM 0 HA HIS A 6 6.279 11.584 -18.443 1.00 8.18 H new ATOM 0 HB2 HIS A 6 5.492 10.205 -15.877 1.00 9.17 H new ATOM 0 HB3 HIS A 6 6.210 9.276 -17.178 1.00 9.17 H new ATOM 0 HD1 HIS A 6 7.125 12.724 -15.940 1.00 11.55 H new ATOM 0 HD2 HIS A 6 8.872 8.980 -16.358 1.00 11.61 H new ATOM 0 HE1 HIS A 6 9.568 12.953 -15.307 1.00 12.90 H new ATOM 87 N PHE A 7 4.859 9.570 -19.397 1.00 6.18 N ATOM 88 CA PHE A 7 3.870 8.839 -20.232 1.00 5.43 C ATOM 89 C PHE A 7 3.292 7.671 -19.434 1.00 4.44 C ATOM 90 O PHE A 7 3.392 6.523 -19.823 1.00 5.02 O ATOM 91 CB PHE A 7 4.585 8.351 -21.498 1.00 6.52 C ATOM 92 CG PHE A 7 5.259 9.558 -22.167 1.00 7.58 C ATOM 93 CD1 PHE A 7 4.502 10.636 -22.595 1.00 8.06 C ATOM 94 CD2 PHE A 7 6.634 9.608 -22.312 1.00 8.66 C ATOM 95 CE1 PHE A 7 5.107 11.742 -23.150 1.00 9.48 C ATOM 96 CE2 PHE A 7 7.237 10.717 -22.868 1.00 9.99 C ATOM 97 CZ PHE A 7 6.475 11.785 -23.287 1.00 10.35 C ATOM 0 H PHE A 7 5.832 9.286 -19.513 1.00 6.18 H new ATOM 0 HA PHE A 7 3.042 9.488 -20.516 1.00 5.43 H new ATOM 0 HB2 PHE A 7 5.327 7.593 -21.247 1.00 6.52 H new ATOM 0 HB3 PHE A 7 3.873 7.887 -22.181 1.00 6.52 H new ATOM 0 HD1 PHE A 7 3.427 10.609 -22.493 1.00 8.06 H new ATOM 0 HD2 PHE A 7 7.239 8.774 -21.988 1.00 8.66 H new ATOM 0 HE1 PHE A 7 4.506 12.577 -23.478 1.00 9.48 H new ATOM 0 HE2 PHE A 7 8.311 10.748 -22.975 1.00 9.99 H new ATOM 0 HZ PHE A 7 6.950 12.653 -23.721 1.00 10.35 H new ATOM 107 N GLU A 8 2.695 8.010 -18.314 1.00 3.67 N ATOM 108 CA GLU A 8 2.075 6.971 -17.436 1.00 3.17 C ATOM 109 C GLU A 8 0.615 7.365 -17.179 1.00 2.78 C ATOM 110 O GLU A 8 0.324 8.541 -17.019 1.00 3.45 O ATOM 111 CB GLU A 8 2.847 6.902 -16.110 1.00 3.88 C ATOM 112 CG GLU A 8 2.175 5.886 -15.172 1.00 4.66 C ATOM 113 CD GLU A 8 2.303 4.489 -15.772 1.00 5.02 C ATOM 114 OE1 GLU A 8 3.312 3.874 -15.464 1.00 5.59 O ATOM 115 OE2 GLU A 8 1.408 4.127 -16.523 1.00 5.54 O ATOM 0 H GLU A 8 2.612 8.967 -17.971 1.00 3.67 H new ATOM 0 HA GLU A 8 2.112 5.992 -17.915 1.00 3.17 H new ATOM 0 HB2 GLU A 8 3.881 6.612 -16.295 1.00 3.88 H new ATOM 0 HB3 GLU A 8 2.871 7.885 -15.640 1.00 3.88 H new ATOM 0 HG2 GLU A 8 2.643 5.917 -14.188 1.00 4.66 H new ATOM 0 HG3 GLU A 8 1.124 6.140 -15.033 1.00 4.66 H new ATOM 122 N GLY A 9 -0.254 6.386 -17.111 1.00 2.97 N ATOM 123 CA GLY A 9 -1.707 6.692 -16.894 1.00 3.50 C ATOM 124 C GLY A 9 -2.295 5.978 -15.675 1.00 3.31 C ATOM 125 O GLY A 9 -2.588 6.614 -14.681 1.00 3.46 O ATOM 0 H GLY A 9 -0.025 5.396 -17.195 1.00 2.97 H new ATOM 0 HA2 GLY A 9 -1.831 7.768 -16.772 1.00 3.50 H new ATOM 0 HA3 GLY A 9 -2.269 6.405 -17.782 1.00 3.50 H new ATOM 129 N GLU A 10 -2.467 4.687 -15.764 1.00 3.74 N ATOM 130 CA GLU A 10 -3.055 3.942 -14.609 1.00 3.87 C ATOM 131 C GLU A 10 -2.026 3.043 -13.905 1.00 3.25 C ATOM 132 O GLU A 10 -1.678 1.981 -14.386 1.00 3.94 O ATOM 133 CB GLU A 10 -4.259 3.099 -15.096 1.00 5.32 C ATOM 134 CG GLU A 10 -4.125 2.716 -16.586 1.00 6.74 C ATOM 135 CD GLU A 10 -4.487 3.911 -17.484 1.00 7.12 C ATOM 136 OE1 GLU A 10 -5.639 4.311 -17.426 1.00 7.39 O ATOM 137 OE2 GLU A 10 -3.589 4.346 -18.188 1.00 7.73 O ATOM 0 H GLU A 10 -2.229 4.119 -16.577 1.00 3.74 H new ATOM 0 HA GLU A 10 -3.387 4.677 -13.876 1.00 3.87 H new ATOM 0 HB2 GLU A 10 -4.337 2.194 -14.494 1.00 5.32 H new ATOM 0 HB3 GLU A 10 -5.181 3.661 -14.947 1.00 5.32 H new ATOM 0 HG2 GLU A 10 -3.105 2.393 -16.794 1.00 6.74 H new ATOM 0 HG3 GLU A 10 -4.779 1.873 -16.811 1.00 6.74 H new ATOM 144 N LYS A 11 -1.586 3.485 -12.752 1.00 2.35 N ATOM 145 CA LYS A 11 -0.595 2.705 -11.957 1.00 2.52 C ATOM 146 C LYS A 11 -1.237 2.372 -10.647 1.00 2.32 C ATOM 147 O LYS A 11 -1.297 3.113 -9.692 1.00 2.32 O ATOM 148 CB LYS A 11 0.573 3.534 -11.675 1.00 2.46 C ATOM 149 CG LYS A 11 1.668 3.348 -12.735 1.00 2.93 C ATOM 150 CD LYS A 11 2.417 2.035 -12.437 1.00 3.52 C ATOM 151 CE LYS A 11 3.619 1.869 -13.365 1.00 3.80 C ATOM 152 NZ LYS A 11 4.582 2.990 -13.185 1.00 4.54 N ATOM 0 H LYS A 11 -1.877 4.365 -12.325 1.00 2.35 H new ATOM 0 HA LYS A 11 -0.294 1.813 -12.507 1.00 2.52 H new ATOM 0 HB2 LYS A 11 0.276 4.582 -11.638 1.00 2.46 H new ATOM 0 HB3 LYS A 11 0.971 3.281 -10.692 1.00 2.46 H new ATOM 0 HG2 LYS A 11 1.229 3.316 -13.732 1.00 2.93 H new ATOM 0 HG3 LYS A 11 2.359 4.191 -12.718 1.00 2.93 H new ATOM 0 HD2 LYS A 11 2.750 2.030 -11.399 1.00 3.52 H new ATOM 0 HD3 LYS A 11 1.740 1.190 -12.558 1.00 3.52 H new ATOM 0 HE2 LYS A 11 4.115 0.920 -13.159 1.00 3.80 H new ATOM 0 HE3 LYS A 11 3.283 1.835 -14.401 1.00 3.80 H new ATOM 0 HZ1 LYS A 11 5.548 2.651 -13.369 1.00 4.54 H new ATOM 0 HZ2 LYS A 11 4.351 3.756 -13.849 1.00 4.54 H new ATOM 0 HZ3 LYS A 11 4.521 3.347 -12.210 1.00 4.54 H new ATOM 166 N VAL A 12 -1.774 1.289 -10.749 1.00 2.16 N ATOM 167 CA VAL A 12 -2.507 0.667 -9.613 1.00 2.00 C ATOM 168 C VAL A 12 -1.847 -0.654 -9.207 1.00 1.93 C ATOM 169 O VAL A 12 -1.309 -1.383 -10.027 1.00 2.25 O ATOM 170 CB VAL A 12 -3.988 0.467 -10.018 1.00 1.95 C ATOM 171 CG1 VAL A 12 -4.269 -0.967 -10.506 1.00 3.14 C ATOM 172 CG2 VAL A 12 -4.881 0.790 -8.813 1.00 2.91 C ATOM 0 H VAL A 12 -1.767 0.729 -11.602 1.00 2.16 H new ATOM 0 HA VAL A 12 -2.469 1.323 -8.744 1.00 2.00 H new ATOM 0 HB VAL A 12 -4.206 1.139 -10.848 1.00 1.95 H new ATOM 0 HG11 VAL A 12 -5.320 -1.059 -10.779 1.00 3.14 H new ATOM 0 HG12 VAL A 12 -3.648 -1.184 -11.375 1.00 3.14 H new ATOM 0 HG13 VAL A 12 -4.038 -1.674 -9.710 1.00 3.14 H new ATOM 0 HG21 VAL A 12 -5.927 0.652 -9.088 1.00 2.91 H new ATOM 0 HG22 VAL A 12 -4.632 0.124 -7.987 1.00 2.91 H new ATOM 0 HG23 VAL A 12 -4.719 1.824 -8.507 1.00 2.91 H new ATOM 182 N PHE A 13 -1.883 -0.886 -7.929 1.00 1.77 N ATOM 183 CA PHE A 13 -1.304 -2.114 -7.350 1.00 1.76 C ATOM 184 C PHE A 13 -2.188 -2.469 -6.171 1.00 1.42 C ATOM 185 O PHE A 13 -2.796 -1.582 -5.592 1.00 1.43 O ATOM 186 CB PHE A 13 0.123 -1.859 -6.833 1.00 2.14 C ATOM 187 CG PHE A 13 0.747 -0.675 -7.574 1.00 1.46 C ATOM 188 CD1 PHE A 13 0.303 0.611 -7.323 1.00 1.74 C ATOM 189 CD2 PHE A 13 1.707 -0.880 -8.541 1.00 1.45 C ATOM 190 CE1 PHE A 13 0.801 1.673 -8.039 1.00 1.74 C ATOM 191 CE2 PHE A 13 2.212 0.183 -9.256 1.00 1.28 C ATOM 192 CZ PHE A 13 1.757 1.460 -9.004 1.00 1.28 C ATOM 0 H PHE A 13 -2.303 -0.255 -7.246 1.00 1.77 H new ATOM 0 HA PHE A 13 -1.254 -2.905 -8.098 1.00 1.76 H new ATOM 0 HB2 PHE A 13 0.099 -1.656 -5.762 1.00 2.14 H new ATOM 0 HB3 PHE A 13 0.734 -2.750 -6.975 1.00 2.14 H new ATOM 0 HD1 PHE A 13 -0.441 0.782 -6.559 1.00 1.74 H new ATOM 0 HD2 PHE A 13 2.065 -1.879 -8.739 1.00 1.45 H new ATOM 0 HE1 PHE A 13 0.442 2.673 -7.844 1.00 1.74 H new ATOM 0 HE2 PHE A 13 2.964 0.017 -10.013 1.00 1.28 H new ATOM 0 HZ PHE A 13 2.152 2.294 -9.565 1.00 1.28 H new ATOM 202 N ARG A 14 -2.263 -3.717 -5.851 1.00 1.30 N ATOM 203 CA ARG A 14 -3.081 -4.115 -4.699 1.00 1.11 C ATOM 204 C ARG A 14 -2.158 -4.841 -3.742 1.00 1.21 C ATOM 205 O ARG A 14 -1.571 -5.837 -4.134 1.00 1.74 O ATOM 206 CB ARG A 14 -4.145 -5.106 -5.155 1.00 1.19 C ATOM 207 CG ARG A 14 -5.133 -4.443 -6.110 1.00 1.53 C ATOM 208 CD ARG A 14 -5.876 -5.543 -6.879 1.00 1.69 C ATOM 209 NE ARG A 14 -4.867 -6.350 -7.631 1.00 2.47 N ATOM 210 CZ ARG A 14 -4.841 -7.650 -7.526 1.00 3.27 C ATOM 211 NH1 ARG A 14 -4.579 -8.199 -6.379 1.00 3.99 N ATOM 212 NH2 ARG A 14 -5.051 -8.345 -8.592 1.00 4.31 N ATOM 0 H ARG A 14 -1.792 -4.478 -6.340 1.00 1.30 H new ATOM 0 HA ARG A 14 -3.555 -3.247 -4.241 1.00 1.11 H new ATOM 0 HB2 ARG A 14 -3.670 -5.954 -5.648 1.00 1.19 H new ATOM 0 HB3 ARG A 14 -4.678 -5.498 -4.289 1.00 1.19 H new ATOM 0 HG2 ARG A 14 -5.839 -3.825 -5.556 1.00 1.53 H new ATOM 0 HG3 ARG A 14 -4.608 -3.785 -6.802 1.00 1.53 H new ATOM 0 HD2 ARG A 14 -6.434 -6.178 -6.190 1.00 1.69 H new ATOM 0 HD3 ARG A 14 -6.600 -5.104 -7.566 1.00 1.69 H new ATOM 0 HE ARG A 14 -4.191 -5.879 -8.233 1.00 2.47 H new ATOM 0 HH11 ARG A 14 -4.394 -7.614 -5.564 1.00 3.99 H new ATOM 0 HH12 ARG A 14 -4.558 -9.215 -6.293 1.00 3.99 H new ATOM 0 HH21 ARG A 14 -5.230 -7.876 -9.480 1.00 4.31 H new ATOM 0 HH22 ARG A 14 -5.038 -9.364 -8.547 1.00 4.31 H new ATOM 226 N VAL A 15 -2.013 -4.345 -2.558 1.00 1.00 N ATOM 227 CA VAL A 15 -1.132 -5.067 -1.609 1.00 1.04 C ATOM 228 C VAL A 15 -1.961 -6.211 -1.039 1.00 0.92 C ATOM 229 O VAL A 15 -3.047 -5.986 -0.539 1.00 1.07 O ATOM 230 CB VAL A 15 -0.694 -4.100 -0.496 1.00 1.24 C ATOM 231 CG1 VAL A 15 0.081 -4.861 0.591 1.00 1.75 C ATOM 232 CG2 VAL A 15 0.217 -3.036 -1.110 1.00 1.52 C ATOM 0 H VAL A 15 -2.452 -3.493 -2.208 1.00 1.00 H new ATOM 0 HA VAL A 15 -0.233 -5.451 -2.091 1.00 1.04 H new ATOM 0 HB VAL A 15 -1.573 -3.638 -0.046 1.00 1.24 H new ATOM 0 HG11 VAL A 15 0.386 -4.167 1.374 1.00 1.75 H new ATOM 0 HG12 VAL A 15 -0.557 -5.633 1.020 1.00 1.75 H new ATOM 0 HG13 VAL A 15 0.965 -5.323 0.151 1.00 1.75 H new ATOM 0 HG21 VAL A 15 0.538 -2.340 -0.335 1.00 1.52 H new ATOM 0 HG22 VAL A 15 1.091 -3.516 -1.551 1.00 1.52 H new ATOM 0 HG23 VAL A 15 -0.327 -2.493 -1.882 1.00 1.52 H new ATOM 242 N ASN A 16 -1.456 -7.406 -1.110 1.00 0.92 N ATOM 243 CA ASN A 16 -2.228 -8.561 -0.573 1.00 0.96 C ATOM 244 C ASN A 16 -1.738 -8.810 0.847 1.00 1.14 C ATOM 245 O ASN A 16 -1.107 -9.811 1.131 1.00 2.38 O ATOM 246 CB ASN A 16 -1.995 -9.791 -1.462 1.00 1.06 C ATOM 247 CG ASN A 16 -3.235 -10.075 -2.313 1.00 1.65 C ATOM 248 OD1 ASN A 16 -3.583 -9.344 -3.214 1.00 2.30 O ATOM 249 ND2 ASN A 16 -3.939 -11.134 -2.058 1.00 2.84 N ATOM 0 H ASN A 16 -0.548 -7.635 -1.514 1.00 0.92 H new ATOM 0 HA ASN A 16 -3.299 -8.357 -0.565 1.00 0.96 H new ATOM 0 HB2 ASN A 16 -1.133 -9.623 -2.108 1.00 1.06 H new ATOM 0 HB3 ASN A 16 -1.765 -10.658 -0.842 1.00 1.06 H new ATOM 0 HD21 ASN A 16 -4.770 -11.340 -2.612 1.00 2.84 H new ATOM 0 HD22 ASN A 16 -3.661 -11.761 -1.303 1.00 2.84 H new ATOM 256 N VAL A 17 -2.000 -7.820 1.666 1.00 0.76 N ATOM 257 CA VAL A 17 -1.584 -7.861 3.102 1.00 0.75 C ATOM 258 C VAL A 17 -1.573 -9.292 3.636 1.00 0.79 C ATOM 259 O VAL A 17 -2.566 -9.999 3.544 1.00 1.02 O ATOM 260 CB VAL A 17 -2.531 -6.958 3.926 1.00 0.81 C ATOM 261 CG1 VAL A 17 -3.984 -7.399 3.773 1.00 2.51 C ATOM 262 CG2 VAL A 17 -2.154 -7.011 5.413 1.00 2.40 C ATOM 0 H VAL A 17 -2.494 -6.970 1.394 1.00 0.76 H new ATOM 0 HA VAL A 17 -0.565 -7.485 3.192 1.00 0.75 H new ATOM 0 HB VAL A 17 -2.426 -5.940 3.550 1.00 0.81 H new ATOM 0 HG11 VAL A 17 -4.627 -6.746 4.363 1.00 2.51 H new ATOM 0 HG12 VAL A 17 -4.273 -7.341 2.724 1.00 2.51 H new ATOM 0 HG13 VAL A 17 -4.091 -8.426 4.122 1.00 2.51 H new ATOM 0 HG21 VAL A 17 -2.828 -6.371 5.982 1.00 2.40 H new ATOM 0 HG22 VAL A 17 -2.237 -8.037 5.773 1.00 2.40 H new ATOM 0 HG23 VAL A 17 -1.129 -6.663 5.541 1.00 2.40 H new ATOM 272 N GLU A 18 -0.462 -9.670 4.204 1.00 0.93 N ATOM 273 CA GLU A 18 -0.336 -11.031 4.756 1.00 1.05 C ATOM 274 C GLU A 18 -0.673 -11.009 6.248 1.00 0.97 C ATOM 275 O GLU A 18 -1.618 -11.644 6.663 1.00 1.08 O ATOM 276 CB GLU A 18 1.104 -11.499 4.520 1.00 1.42 C ATOM 277 CG GLU A 18 1.390 -11.512 3.002 1.00 2.02 C ATOM 278 CD GLU A 18 2.557 -12.462 2.689 1.00 3.33 C ATOM 279 OE1 GLU A 18 2.353 -13.651 2.894 1.00 3.66 O ATOM 280 OE2 GLU A 18 3.579 -11.944 2.248 1.00 4.67 O ATOM 0 H GLU A 18 0.366 -9.084 4.306 1.00 0.93 H new ATOM 0 HA GLU A 18 -1.027 -11.720 4.269 1.00 1.05 H new ATOM 0 HB2 GLU A 18 1.803 -10.835 5.028 1.00 1.42 H new ATOM 0 HB3 GLU A 18 1.249 -12.495 4.938 1.00 1.42 H new ATOM 0 HG2 GLU A 18 0.499 -11.828 2.460 1.00 2.02 H new ATOM 0 HG3 GLU A 18 1.630 -10.505 2.661 1.00 2.02 H new ATOM 287 N ASP A 19 0.056 -10.228 6.996 1.00 0.99 N ATOM 288 CA ASP A 19 -0.192 -10.135 8.465 1.00 1.13 C ATOM 289 C ASP A 19 0.037 -8.704 8.891 1.00 1.00 C ATOM 290 O ASP A 19 0.186 -7.830 8.056 1.00 1.00 O ATOM 291 CB ASP A 19 0.768 -11.039 9.245 1.00 1.47 C ATOM 292 CG ASP A 19 0.236 -12.462 9.238 1.00 2.89 C ATOM 293 OD1 ASP A 19 -0.620 -12.701 10.070 1.00 4.46 O ATOM 294 OD2 ASP A 19 0.699 -13.220 8.411 1.00 3.50 O ATOM 0 H ASP A 19 0.819 -9.645 6.651 1.00 0.99 H new ATOM 0 HA ASP A 19 -1.213 -10.454 8.674 1.00 1.13 H new ATOM 0 HB2 ASP A 19 1.761 -11.008 8.796 1.00 1.47 H new ATOM 0 HB3 ASP A 19 0.870 -10.682 10.270 1.00 1.47 H new ATOM 299 N GLU A 20 0.114 -8.514 10.179 1.00 1.26 N ATOM 300 CA GLU A 20 0.338 -7.166 10.723 1.00 1.20 C ATOM 301 C GLU A 20 1.562 -6.549 10.034 1.00 1.09 C ATOM 302 O GLU A 20 1.486 -5.462 9.503 1.00 0.94 O ATOM 303 CB GLU A 20 0.561 -7.311 12.240 1.00 1.33 C ATOM 304 CG GLU A 20 -0.743 -7.748 12.949 1.00 1.81 C ATOM 305 CD GLU A 20 -0.491 -7.964 14.453 1.00 2.71 C ATOM 306 OE1 GLU A 20 0.327 -8.823 14.743 1.00 3.75 O ATOM 307 OE2 GLU A 20 -1.143 -7.278 15.226 1.00 3.45 O ATOM 0 H GLU A 20 0.029 -9.252 10.878 1.00 1.26 H new ATOM 0 HA GLU A 20 -0.514 -6.510 10.544 1.00 1.20 H new ATOM 0 HB2 GLU A 20 1.345 -8.044 12.428 1.00 1.33 H new ATOM 0 HB3 GLU A 20 0.905 -6.363 12.654 1.00 1.33 H new ATOM 0 HG2 GLU A 20 -1.513 -6.989 12.808 1.00 1.81 H new ATOM 0 HG3 GLU A 20 -1.117 -8.668 12.501 1.00 1.81 H new ATOM 314 N ASN A 21 2.659 -7.269 10.068 1.00 1.33 N ATOM 315 CA ASN A 21 3.924 -6.779 9.426 1.00 1.30 C ATOM 316 C ASN A 21 3.632 -5.962 8.153 1.00 1.07 C ATOM 317 O ASN A 21 4.010 -4.816 8.067 1.00 1.01 O ATOM 318 CB ASN A 21 4.809 -7.980 9.075 1.00 1.53 C ATOM 319 CG ASN A 21 6.242 -7.492 8.862 1.00 1.94 C ATOM 320 OD1 ASN A 21 7.021 -7.402 9.787 1.00 2.72 O ATOM 321 ND2 ASN A 21 6.619 -7.133 7.686 1.00 2.11 N ATOM 0 H ASN A 21 2.734 -8.182 10.516 1.00 1.33 H new ATOM 0 HA ASN A 21 4.436 -6.126 10.133 1.00 1.30 H new ATOM 0 HB2 ASN A 21 4.777 -8.719 9.876 1.00 1.53 H new ATOM 0 HB3 ASN A 21 4.440 -8.470 8.174 1.00 1.53 H new ATOM 0 HD21 ASN A 21 7.564 -6.777 7.540 1.00 2.11 H new ATOM 0 HD22 ASN A 21 5.973 -7.204 6.900 1.00 2.11 H new ATOM 328 N ASP A 22 2.952 -6.573 7.207 1.00 1.01 N ATOM 329 CA ASP A 22 2.616 -5.854 5.932 1.00 0.88 C ATOM 330 C ASP A 22 1.994 -4.503 6.266 1.00 0.78 C ATOM 331 O ASP A 22 2.414 -3.478 5.777 1.00 0.98 O ATOM 332 CB ASP A 22 1.617 -6.698 5.119 1.00 0.89 C ATOM 333 CG ASP A 22 1.141 -5.938 3.867 1.00 1.95 C ATOM 334 OD1 ASP A 22 0.432 -4.960 4.049 1.00 3.44 O ATOM 335 OD2 ASP A 22 1.482 -6.396 2.792 1.00 2.44 O ATOM 0 H ASP A 22 2.616 -7.535 7.262 1.00 1.01 H new ATOM 0 HA ASP A 22 3.522 -5.701 5.345 1.00 0.88 H new ATOM 0 HB2 ASP A 22 2.085 -7.636 4.823 1.00 0.89 H new ATOM 0 HB3 ASP A 22 0.759 -6.953 5.742 1.00 0.89 H new ATOM 340 N ILE A 23 1.009 -4.533 7.111 1.00 0.67 N ATOM 341 CA ILE A 23 0.348 -3.254 7.487 1.00 0.70 C ATOM 342 C ILE A 23 1.380 -2.291 8.094 1.00 0.73 C ATOM 343 O ILE A 23 1.387 -1.112 7.773 1.00 0.87 O ATOM 344 CB ILE A 23 -0.784 -3.568 8.474 1.00 0.83 C ATOM 345 CG1 ILE A 23 -1.765 -4.521 7.771 1.00 0.89 C ATOM 346 CG2 ILE A 23 -1.511 -2.269 8.847 1.00 1.03 C ATOM 347 CD1 ILE A 23 -2.733 -5.139 8.779 1.00 1.02 C ATOM 0 H ILE A 23 0.635 -5.372 7.554 1.00 0.67 H new ATOM 0 HA ILE A 23 -0.074 -2.765 6.609 1.00 0.70 H new ATOM 0 HB ILE A 23 -0.388 -4.025 9.381 1.00 0.83 H new ATOM 0 HG12 ILE A 23 -2.324 -3.978 7.008 1.00 0.89 H new ATOM 0 HG13 ILE A 23 -1.212 -5.309 7.260 1.00 0.89 H new ATOM 0 HG21 ILE A 23 -2.316 -2.491 9.548 1.00 1.03 H new ATOM 0 HG22 ILE A 23 -0.807 -1.578 9.310 1.00 1.03 H new ATOM 0 HG23 ILE A 23 -1.928 -1.814 7.948 1.00 1.03 H new ATOM 0 HD11 ILE A 23 -3.418 -5.810 8.261 1.00 1.02 H new ATOM 0 HD12 ILE A 23 -2.171 -5.700 9.526 1.00 1.02 H new ATOM 0 HD13 ILE A 23 -3.301 -4.349 9.270 1.00 1.02 H new ATOM 359 N SER A 24 2.237 -2.804 8.942 1.00 0.70 N ATOM 360 CA SER A 24 3.271 -1.921 9.562 1.00 0.78 C ATOM 361 C SER A 24 4.147 -1.361 8.443 1.00 0.74 C ATOM 362 O SER A 24 4.302 -0.163 8.314 1.00 0.91 O ATOM 363 CB SER A 24 4.124 -2.749 10.531 1.00 0.91 C ATOM 364 OG SER A 24 3.167 -3.487 11.281 1.00 1.24 O ATOM 0 H SER A 24 2.266 -3.783 9.228 1.00 0.70 H new ATOM 0 HA SER A 24 2.803 -1.105 10.113 1.00 0.78 H new ATOM 0 HB2 SER A 24 4.809 -3.408 9.998 1.00 0.91 H new ATOM 0 HB3 SER A 24 4.731 -2.112 11.174 1.00 0.91 H new ATOM 0 HG SER A 24 3.629 -4.054 11.933 1.00 1.24 H new ATOM 370 N GLU A 25 4.703 -2.250 7.671 1.00 0.74 N ATOM 371 CA GLU A 25 5.561 -1.851 6.527 1.00 0.87 C ATOM 372 C GLU A 25 4.825 -0.813 5.667 1.00 0.92 C ATOM 373 O GLU A 25 5.340 0.245 5.388 1.00 1.10 O ATOM 374 CB GLU A 25 5.862 -3.117 5.712 1.00 0.99 C ATOM 375 CG GLU A 25 6.713 -4.081 6.557 1.00 1.55 C ATOM 376 CD GLU A 25 7.113 -5.292 5.705 1.00 2.36 C ATOM 377 OE1 GLU A 25 6.201 -6.004 5.300 1.00 3.66 O ATOM 378 OE2 GLU A 25 8.308 -5.456 5.524 1.00 2.96 O ATOM 0 H GLU A 25 4.595 -3.257 7.789 1.00 0.74 H new ATOM 0 HA GLU A 25 6.491 -1.400 6.873 1.00 0.87 H new ATOM 0 HB2 GLU A 25 4.932 -3.601 5.415 1.00 0.99 H new ATOM 0 HB3 GLU A 25 6.391 -2.855 4.796 1.00 0.99 H new ATOM 0 HG2 GLU A 25 7.604 -3.571 6.923 1.00 1.55 H new ATOM 0 HG3 GLU A 25 6.151 -4.408 7.432 1.00 1.55 H new ATOM 385 N LEU A 26 3.613 -1.121 5.307 1.00 0.88 N ATOM 386 CA LEU A 26 2.799 -0.184 4.468 1.00 0.97 C ATOM 387 C LEU A 26 2.656 1.157 5.195 1.00 1.05 C ATOM 388 O LEU A 26 2.785 2.210 4.595 1.00 1.18 O ATOM 389 CB LEU A 26 1.420 -0.828 4.243 1.00 0.99 C ATOM 390 CG LEU A 26 0.840 -0.436 2.874 1.00 1.11 C ATOM 391 CD1 LEU A 26 -0.441 -1.243 2.631 1.00 2.07 C ATOM 392 CD2 LEU A 26 0.503 1.058 2.845 1.00 2.45 C ATOM 0 H LEU A 26 3.141 -1.990 5.558 1.00 0.88 H new ATOM 0 HA LEU A 26 3.281 -0.002 3.508 1.00 0.97 H new ATOM 0 HB2 LEU A 26 1.507 -1.913 4.307 1.00 0.99 H new ATOM 0 HB3 LEU A 26 0.737 -0.516 5.033 1.00 0.99 H new ATOM 0 HG LEU A 26 1.577 -0.647 2.099 1.00 1.11 H new ATOM 0 HD11 LEU A 26 -0.862 -0.974 1.662 1.00 2.07 H new ATOM 0 HD12 LEU A 26 -0.208 -2.308 2.642 1.00 2.07 H new ATOM 0 HD13 LEU A 26 -1.165 -1.022 3.416 1.00 2.07 H new ATOM 0 HD21 LEU A 26 0.094 1.320 1.869 1.00 2.45 H new ATOM 0 HD22 LEU A 26 -0.232 1.280 3.619 1.00 2.45 H new ATOM 0 HD23 LEU A 26 1.407 1.639 3.026 1.00 2.45 H new ATOM 404 N HIS A 27 2.385 1.094 6.476 1.00 1.07 N ATOM 405 CA HIS A 27 2.235 2.354 7.275 1.00 1.27 C ATOM 406 C HIS A 27 3.456 3.255 7.056 1.00 1.35 C ATOM 407 O HIS A 27 3.338 4.477 7.039 1.00 1.60 O ATOM 408 CB HIS A 27 2.101 2.003 8.764 1.00 1.28 C ATOM 409 CG HIS A 27 0.663 1.730 9.201 1.00 1.09 C ATOM 410 ND1 HIS A 27 0.240 2.105 10.374 1.00 1.51 N ATOM 411 CD2 HIS A 27 -0.392 1.109 8.584 1.00 1.51 C ATOM 412 CE1 HIS A 27 -1.016 1.747 10.506 1.00 1.45 C ATOM 413 NE2 HIS A 27 -1.397 1.139 9.410 1.00 1.34 N ATOM 0 H HIS A 27 2.261 0.229 7.003 1.00 1.07 H new ATOM 0 HA HIS A 27 1.341 2.886 6.950 1.00 1.27 H new ATOM 0 HB2 HIS A 27 2.710 1.125 8.978 1.00 1.28 H new ATOM 0 HB3 HIS A 27 2.504 2.822 9.360 1.00 1.28 H new ATOM 0 HD2 HIS A 27 -0.389 0.675 7.595 1.00 1.51 H new ATOM 0 HE1 HIS A 27 -1.633 1.924 11.374 1.00 1.45 H new ATOM 0 HE2 HIS A 27 -2.325 0.754 9.234 1.00 1.34 H new ATOM 421 N GLU A 28 4.594 2.609 6.937 1.00 1.25 N ATOM 422 CA GLU A 28 5.878 3.343 6.705 1.00 1.45 C ATOM 423 C GLU A 28 5.727 4.336 5.533 1.00 1.53 C ATOM 424 O GLU A 28 6.357 5.370 5.498 1.00 2.09 O ATOM 425 CB GLU A 28 6.960 2.304 6.373 1.00 1.41 C ATOM 426 CG GLU A 28 8.368 2.855 6.651 1.00 2.15 C ATOM 427 CD GLU A 28 9.398 2.062 5.837 1.00 3.92 C ATOM 428 OE1 GLU A 28 9.410 0.847 5.985 1.00 4.90 O ATOM 429 OE2 GLU A 28 10.104 2.720 5.093 1.00 4.98 O ATOM 0 H GLU A 28 4.687 1.595 6.992 1.00 1.25 H new ATOM 0 HA GLU A 28 6.151 3.910 7.595 1.00 1.45 H new ATOM 0 HB2 GLU A 28 6.796 1.404 6.965 1.00 1.41 H new ATOM 0 HB3 GLU A 28 6.881 2.015 5.325 1.00 1.41 H new ATOM 0 HG2 GLU A 28 8.415 3.911 6.387 1.00 2.15 H new ATOM 0 HG3 GLU A 28 8.595 2.782 7.715 1.00 2.15 H new ATOM 436 N LEU A 29 4.868 4.000 4.604 1.00 1.06 N ATOM 437 CA LEU A 29 4.647 4.881 3.414 1.00 1.13 C ATOM 438 C LEU A 29 3.556 5.923 3.707 1.00 1.24 C ATOM 439 O LEU A 29 3.747 7.118 3.508 1.00 1.68 O ATOM 440 CB LEU A 29 4.204 3.986 2.243 1.00 1.14 C ATOM 441 CG LEU A 29 3.956 4.833 0.977 1.00 1.26 C ATOM 442 CD1 LEU A 29 5.273 5.437 0.471 1.00 1.69 C ATOM 443 CD2 LEU A 29 3.355 3.937 -0.111 1.00 1.74 C ATOM 0 H LEU A 29 4.307 3.149 4.618 1.00 1.06 H new ATOM 0 HA LEU A 29 5.567 5.413 3.171 1.00 1.13 H new ATOM 0 HB2 LEU A 29 4.969 3.236 2.042 1.00 1.14 H new ATOM 0 HB3 LEU A 29 3.294 3.449 2.512 1.00 1.14 H new ATOM 0 HG LEU A 29 3.269 5.644 1.218 1.00 1.26 H new ATOM 0 HD11 LEU A 29 5.081 6.031 -0.422 1.00 1.69 H new ATOM 0 HD12 LEU A 29 5.703 6.073 1.245 1.00 1.69 H new ATOM 0 HD13 LEU A 29 5.972 4.636 0.231 1.00 1.69 H new ATOM 0 HD21 LEU A 29 3.176 4.527 -1.010 1.00 1.74 H new ATOM 0 HD22 LEU A 29 4.048 3.128 -0.340 1.00 1.74 H new ATOM 0 HD23 LEU A 29 2.412 3.518 0.242 1.00 1.74 H new ATOM 455 N ALA A 30 2.438 5.438 4.170 1.00 1.15 N ATOM 456 CA ALA A 30 1.302 6.354 4.484 1.00 1.34 C ATOM 457 C ALA A 30 1.736 7.441 5.467 1.00 1.39 C ATOM 458 O ALA A 30 1.121 8.488 5.536 1.00 1.51 O ATOM 459 CB ALA A 30 0.152 5.543 5.089 1.00 1.54 C ATOM 0 H ALA A 30 2.260 4.449 4.345 1.00 1.15 H new ATOM 0 HA ALA A 30 0.974 6.835 3.562 1.00 1.34 H new ATOM 0 HB1 ALA A 30 -0.680 6.208 5.320 1.00 1.54 H new ATOM 0 HB2 ALA A 30 -0.175 4.787 4.375 1.00 1.54 H new ATOM 0 HB3 ALA A 30 0.492 5.056 6.003 1.00 1.54 H new ATOM 465 N SER A 31 2.789 7.180 6.196 1.00 1.69 N ATOM 466 CA SER A 31 3.262 8.190 7.186 1.00 1.99 C ATOM 467 C SER A 31 4.361 9.107 6.624 1.00 2.19 C ATOM 468 O SER A 31 5.151 9.639 7.379 1.00 3.19 O ATOM 469 CB SER A 31 3.807 7.442 8.394 1.00 2.43 C ATOM 470 OG SER A 31 2.732 6.596 8.791 1.00 2.66 O ATOM 0 H SER A 31 3.337 6.321 6.150 1.00 1.69 H new ATOM 0 HA SER A 31 2.419 8.829 7.449 1.00 1.99 H new ATOM 0 HB2 SER A 31 4.695 6.865 8.138 1.00 2.43 H new ATOM 0 HB3 SER A 31 4.091 8.127 9.193 1.00 2.43 H new ATOM 0 HG SER A 31 2.762 5.764 8.274 1.00 2.66 H new ATOM 476 N THR A 32 4.415 9.257 5.332 1.00 1.66 N ATOM 477 CA THR A 32 5.450 10.169 4.745 1.00 2.07 C ATOM 478 C THR A 32 4.783 11.160 3.784 1.00 2.34 C ATOM 479 O THR A 32 4.826 12.355 3.994 1.00 3.13 O ATOM 480 CB THR A 32 6.515 9.342 4.016 1.00 2.09 C ATOM 481 OG1 THR A 32 5.818 8.629 3.001 1.00 2.59 O ATOM 482 CG2 THR A 32 7.113 8.275 4.935 1.00 2.83 C ATOM 0 H THR A 32 3.800 8.798 4.660 1.00 1.66 H new ATOM 0 HA THR A 32 5.934 10.732 5.543 1.00 2.07 H new ATOM 0 HB THR A 32 7.306 9.999 3.654 1.00 2.09 H new ATOM 0 HG1 THR A 32 5.331 7.880 3.403 1.00 2.59 H new ATOM 0 HG21 THR A 32 7.865 7.705 4.389 1.00 2.83 H new ATOM 0 HG22 THR A 32 7.576 8.755 5.797 1.00 2.83 H new ATOM 0 HG23 THR A 32 6.324 7.604 5.274 1.00 2.83 H new ATOM 490 N ARG A 33 4.167 10.645 2.758 1.00 2.39 N ATOM 491 CA ARG A 33 3.485 11.550 1.779 1.00 3.09 C ATOM 492 C ARG A 33 1.985 11.586 2.066 1.00 2.43 C ATOM 493 O ARG A 33 1.514 10.982 3.013 1.00 2.97 O ATOM 494 CB ARG A 33 3.681 11.046 0.338 1.00 4.15 C ATOM 495 CG ARG A 33 5.166 10.821 0.037 1.00 5.62 C ATOM 496 CD ARG A 33 5.362 10.697 -1.486 1.00 7.07 C ATOM 497 NE ARG A 33 4.267 9.864 -2.098 1.00 6.92 N ATOM 498 CZ ARG A 33 4.561 8.727 -2.655 1.00 7.61 C ATOM 499 NH1 ARG A 33 5.365 7.919 -2.020 1.00 8.33 N ATOM 500 NH2 ARG A 33 4.041 8.461 -3.815 1.00 8.10 N ATOM 0 H ARG A 33 4.103 9.648 2.552 1.00 2.39 H new ATOM 0 HA ARG A 33 3.922 12.543 1.883 1.00 3.09 H new ATOM 0 HB2 ARG A 33 3.132 10.115 0.196 1.00 4.15 H new ATOM 0 HB3 ARG A 33 3.269 11.770 -0.365 1.00 4.15 H new ATOM 0 HG2 ARG A 33 5.758 11.650 0.425 1.00 5.62 H new ATOM 0 HG3 ARG A 33 5.517 9.918 0.536 1.00 5.62 H new ATOM 0 HD2 ARG A 33 5.368 11.688 -1.939 1.00 7.07 H new ATOM 0 HD3 ARG A 33 6.331 10.245 -1.697 1.00 7.07 H new ATOM 0 HE ARG A 33 3.301 10.190 -2.076 1.00 6.92 H new ATOM 0 HH11 ARG A 33 5.744 8.187 -1.112 1.00 8.33 H new ATOM 0 HH12 ARG A 33 5.614 7.020 -2.432 1.00 8.33 H new ATOM 0 HH21 ARG A 33 3.421 9.136 -4.263 1.00 8.10 H new ATOM 0 HH22 ARG A 33 4.252 7.577 -4.278 1.00 8.10 H new ATOM 514 N GLN A 34 1.279 12.289 1.221 1.00 2.76 N ATOM 515 CA GLN A 34 -0.195 12.410 1.375 1.00 3.37 C ATOM 516 C GLN A 34 -0.844 11.520 0.313 1.00 2.99 C ATOM 517 O GLN A 34 -1.083 11.948 -0.804 1.00 3.04 O ATOM 518 CB GLN A 34 -0.625 13.875 1.162 1.00 4.87 C ATOM 519 CG GLN A 34 0.264 14.822 1.979 1.00 5.23 C ATOM 520 CD GLN A 34 -0.331 16.233 1.929 1.00 6.71 C ATOM 521 OE1 GLN A 34 -1.398 16.479 2.443 1.00 7.87 O ATOM 522 NE2 GLN A 34 0.309 17.190 1.321 1.00 7.15 N ATOM 0 H GLN A 34 1.668 12.789 0.422 1.00 2.76 H new ATOM 0 HA GLN A 34 -0.503 12.103 2.375 1.00 3.37 H new ATOM 0 HB2 GLN A 34 -0.560 14.129 0.104 1.00 4.87 H new ATOM 0 HB3 GLN A 34 -1.667 14.001 1.457 1.00 4.87 H new ATOM 0 HG2 GLN A 34 0.331 14.478 3.011 1.00 5.23 H new ATOM 0 HG3 GLN A 34 1.278 14.826 1.578 1.00 5.23 H new ATOM 0 HE21 GLN A 34 1.210 17.002 0.882 1.00 7.15 H new ATOM 0 HE22 GLN A 34 -0.091 18.128 1.284 1.00 7.15 H new ATOM 531 N ILE A 35 -1.053 10.286 0.675 1.00 2.70 N ATOM 532 CA ILE A 35 -1.680 9.320 -0.275 1.00 2.39 C ATOM 533 C ILE A 35 -3.037 8.876 0.281 1.00 2.18 C ATOM 534 O ILE A 35 -3.268 8.961 1.471 1.00 2.33 O ATOM 535 CB ILE A 35 -0.751 8.101 -0.458 1.00 2.37 C ATOM 536 CG1 ILE A 35 -0.500 7.417 0.899 1.00 2.53 C ATOM 537 CG2 ILE A 35 0.590 8.573 -1.043 1.00 2.93 C ATOM 538 CD1 ILE A 35 0.249 6.094 0.681 1.00 2.26 C ATOM 0 H ILE A 35 -0.817 9.902 1.590 1.00 2.70 H new ATOM 0 HA ILE A 35 -1.830 9.796 -1.244 1.00 2.39 H new ATOM 0 HB ILE A 35 -1.224 7.389 -1.134 1.00 2.37 H new ATOM 0 HG12 ILE A 35 0.082 8.073 1.546 1.00 2.53 H new ATOM 0 HG13 ILE A 35 -1.448 7.231 1.404 1.00 2.53 H new ATOM 0 HG21 ILE A 35 1.251 7.716 -1.175 1.00 2.93 H new ATOM 0 HG22 ILE A 35 0.418 9.051 -2.008 1.00 2.93 H new ATOM 0 HG23 ILE A 35 1.053 9.287 -0.362 1.00 2.93 H new ATOM 0 HD11 ILE A 35 0.425 5.613 1.643 1.00 2.26 H new ATOM 0 HD12 ILE A 35 -0.350 5.437 0.050 1.00 2.26 H new ATOM 0 HD13 ILE A 35 1.204 6.292 0.195 1.00 2.26 H new ATOM 550 N ASP A 36 -3.891 8.414 -0.579 1.00 2.03 N ATOM 551 CA ASP A 36 -5.233 7.965 -0.128 1.00 1.96 C ATOM 552 C ASP A 36 -5.461 6.517 -0.558 1.00 1.47 C ATOM 553 O ASP A 36 -4.843 6.052 -1.501 1.00 1.35 O ATOM 554 CB ASP A 36 -6.301 8.901 -0.733 1.00 2.42 C ATOM 555 CG ASP A 36 -6.033 9.197 -2.213 1.00 2.08 C ATOM 556 OD1 ASP A 36 -5.041 9.869 -2.465 1.00 3.01 O ATOM 557 OD2 ASP A 36 -6.841 8.764 -3.014 1.00 2.63 O ATOM 0 H ASP A 36 -3.718 8.327 -1.581 1.00 2.03 H new ATOM 0 HA ASP A 36 -5.302 8.009 0.959 1.00 1.96 H new ATOM 0 HB2 ASP A 36 -7.285 8.445 -0.627 1.00 2.42 H new ATOM 0 HB3 ASP A 36 -6.322 9.837 -0.174 1.00 2.42 H new ATOM 562 N PHE A 37 -6.330 5.845 0.151 1.00 1.45 N ATOM 563 CA PHE A 37 -6.634 4.420 -0.171 1.00 1.10 C ATOM 564 C PHE A 37 -8.117 4.324 -0.483 1.00 1.32 C ATOM 565 O PHE A 37 -8.893 5.108 0.031 1.00 1.97 O ATOM 566 CB PHE A 37 -6.303 3.528 1.035 1.00 1.26 C ATOM 567 CG PHE A 37 -4.782 3.464 1.224 1.00 1.06 C ATOM 568 CD1 PHE A 37 -4.107 4.443 1.931 1.00 1.29 C ATOM 569 CD2 PHE A 37 -4.060 2.418 0.679 1.00 1.37 C ATOM 570 CE1 PHE A 37 -2.736 4.373 2.094 1.00 1.38 C ATOM 571 CE2 PHE A 37 -2.693 2.346 0.841 1.00 1.58 C ATOM 572 CZ PHE A 37 -2.029 3.323 1.550 1.00 1.41 C ATOM 0 H PHE A 37 -6.845 6.225 0.945 1.00 1.45 H new ATOM 0 HA PHE A 37 -6.038 4.088 -1.021 1.00 1.10 H new ATOM 0 HB2 PHE A 37 -6.775 3.924 1.934 1.00 1.26 H new ATOM 0 HB3 PHE A 37 -6.703 2.526 0.880 1.00 1.26 H new ATOM 0 HD1 PHE A 37 -4.656 5.269 2.359 1.00 1.29 H new ATOM 0 HD2 PHE A 37 -4.573 1.649 0.120 1.00 1.37 H new ATOM 0 HE1 PHE A 37 -2.219 5.142 2.648 1.00 1.38 H new ATOM 0 HE2 PHE A 37 -2.142 1.523 0.412 1.00 1.58 H new ATOM 0 HZ PHE A 37 -0.958 3.266 1.679 1.00 1.41 H new ATOM 582 N TRP A 38 -8.487 3.355 -1.274 1.00 1.04 N ATOM 583 CA TRP A 38 -9.929 3.220 -1.632 1.00 1.28 C ATOM 584 C TRP A 38 -10.450 1.853 -1.208 1.00 1.12 C ATOM 585 O TRP A 38 -11.480 1.753 -0.569 1.00 1.47 O ATOM 586 CB TRP A 38 -10.049 3.443 -3.140 1.00 1.45 C ATOM 587 CG TRP A 38 -9.371 4.736 -3.610 1.00 2.54 C ATOM 588 CD1 TRP A 38 -9.257 5.884 -2.878 1.00 3.76 C ATOM 589 CD2 TRP A 38 -8.721 5.023 -4.788 1.00 3.31 C ATOM 590 NE1 TRP A 38 -8.590 6.776 -3.541 1.00 5.14 N ATOM 591 CE2 TRP A 38 -8.242 6.321 -4.721 1.00 4.96 C ATOM 592 CE3 TRP A 38 -8.533 4.256 -5.918 1.00 2.92 C ATOM 593 CZ2 TRP A 38 -7.587 6.889 -5.778 1.00 6.11 C ATOM 594 CZ3 TRP A 38 -7.864 4.840 -6.988 1.00 4.10 C ATOM 595 CH2 TRP A 38 -7.401 6.145 -6.921 1.00 5.64 C ATOM 0 H TRP A 38 -7.864 2.659 -1.684 1.00 1.04 H new ATOM 0 HA TRP A 38 -10.538 3.958 -1.110 1.00 1.28 H new ATOM 0 HB2 TRP A 38 -9.606 2.596 -3.663 1.00 1.45 H new ATOM 0 HB3 TRP A 38 -11.103 3.471 -3.415 1.00 1.45 H new ATOM 0 HD1 TRP A 38 -9.664 6.028 -1.888 1.00 3.76 H new ATOM 0 HE1 TRP A 38 -8.366 7.708 -3.192 1.00 5.14 H new ATOM 0 HE3 TRP A 38 -8.892 3.239 -5.970 1.00 2.92 H new ATOM 0 HZ2 TRP A 38 -7.222 7.904 -5.717 1.00 6.11 H new ATOM 0 HZ3 TRP A 38 -7.702 4.266 -7.888 1.00 4.10 H new ATOM 0 HH2 TRP A 38 -6.892 6.580 -7.769 1.00 5.64 H new ATOM 606 N LYS A 39 -9.723 0.834 -1.563 1.00 0.91 N ATOM 607 CA LYS A 39 -10.131 -0.550 -1.183 1.00 1.22 C ATOM 608 C LYS A 39 -9.107 -1.083 -0.178 1.00 1.11 C ATOM 609 O LYS A 39 -7.934 -1.066 -0.464 1.00 1.17 O ATOM 610 CB LYS A 39 -10.108 -1.443 -2.428 1.00 1.72 C ATOM 611 CG LYS A 39 -11.099 -0.910 -3.472 1.00 2.14 C ATOM 612 CD LYS A 39 -10.842 -1.588 -4.830 1.00 3.00 C ATOM 613 CE LYS A 39 -9.537 -1.059 -5.440 1.00 3.96 C ATOM 614 NZ LYS A 39 -9.621 0.417 -5.651 1.00 4.25 N ATOM 0 H LYS A 39 -8.860 0.897 -2.102 1.00 0.91 H new ATOM 0 HA LYS A 39 -11.133 -0.546 -0.753 1.00 1.22 H new ATOM 0 HB2 LYS A 39 -9.103 -1.470 -2.849 1.00 1.72 H new ATOM 0 HB3 LYS A 39 -10.367 -2.466 -2.157 1.00 1.72 H new ATOM 0 HG2 LYS A 39 -12.122 -1.102 -3.147 1.00 2.14 H new ATOM 0 HG3 LYS A 39 -10.993 0.170 -3.569 1.00 2.14 H new ATOM 0 HD2 LYS A 39 -10.781 -2.669 -4.701 1.00 3.00 H new ATOM 0 HD3 LYS A 39 -11.674 -1.394 -5.506 1.00 3.00 H new ATOM 0 HE2 LYS A 39 -8.700 -1.291 -4.782 1.00 3.96 H new ATOM 0 HE3 LYS A 39 -9.344 -1.558 -6.390 1.00 3.96 H new ATOM 0 HZ1 LYS A 39 -8.789 0.739 -6.186 1.00 4.25 H new ATOM 0 HZ2 LYS A 39 -10.485 0.643 -6.185 1.00 4.25 H new ATOM 0 HZ3 LYS A 39 -9.648 0.898 -4.730 1.00 4.25 H new ATOM 628 N PRO A 40 -9.560 -1.501 0.984 1.00 1.22 N ATOM 629 CA PRO A 40 -10.674 -0.850 1.717 1.00 1.38 C ATOM 630 C PRO A 40 -10.436 0.663 1.845 1.00 1.57 C ATOM 631 O PRO A 40 -9.362 1.153 1.538 1.00 2.54 O ATOM 632 CB PRO A 40 -10.672 -1.548 3.083 1.00 1.81 C ATOM 633 CG PRO A 40 -9.953 -2.902 2.859 1.00 1.86 C ATOM 634 CD PRO A 40 -8.990 -2.677 1.682 1.00 1.56 C ATOM 0 HA PRO A 40 -11.634 -0.946 1.209 1.00 1.38 H new ATOM 0 HB2 PRO A 40 -10.152 -0.947 3.829 1.00 1.81 H new ATOM 0 HB3 PRO A 40 -11.688 -1.699 3.447 1.00 1.81 H new ATOM 0 HG2 PRO A 40 -9.412 -3.210 3.754 1.00 1.86 H new ATOM 0 HG3 PRO A 40 -10.669 -3.692 2.632 1.00 1.86 H new ATOM 0 HD2 PRO A 40 -7.974 -2.485 2.027 1.00 1.56 H new ATOM 0 HD3 PRO A 40 -8.945 -3.548 1.028 1.00 1.56 H new ATOM 642 N ASP A 41 -11.408 1.355 2.360 1.00 1.74 N ATOM 643 CA ASP A 41 -11.267 2.830 2.507 1.00 2.28 C ATOM 644 C ASP A 41 -10.452 3.135 3.766 1.00 1.89 C ATOM 645 O ASP A 41 -10.926 3.746 4.700 1.00 2.96 O ATOM 646 CB ASP A 41 -12.672 3.441 2.612 1.00 3.44 C ATOM 647 CG ASP A 41 -12.566 4.966 2.592 1.00 4.49 C ATOM 648 OD1 ASP A 41 -12.064 5.455 1.597 1.00 5.55 O ATOM 649 OD2 ASP A 41 -13.007 5.556 3.561 1.00 5.06 O ATOM 0 H ASP A 41 -12.293 0.967 2.686 1.00 1.74 H new ATOM 0 HA ASP A 41 -10.750 3.257 1.648 1.00 2.28 H new ATOM 0 HB2 ASP A 41 -13.292 3.098 1.784 1.00 3.44 H new ATOM 0 HB3 ASP A 41 -13.156 3.111 3.531 1.00 3.44 H new ATOM 654 N SER A 42 -9.240 2.648 3.787 1.00 1.89 N ATOM 655 CA SER A 42 -8.373 2.892 4.970 1.00 1.70 C ATOM 656 C SER A 42 -7.003 2.246 4.777 1.00 1.87 C ATOM 657 O SER A 42 -6.765 1.516 3.829 1.00 3.12 O ATOM 658 CB SER A 42 -9.042 2.287 6.221 1.00 2.48 C ATOM 659 OG SER A 42 -8.085 2.441 7.272 1.00 3.19 O ATOM 0 H SER A 42 -8.817 2.096 3.041 1.00 1.89 H new ATOM 0 HA SER A 42 -8.242 3.967 5.092 1.00 1.70 H new ATOM 0 HB2 SER A 42 -9.973 2.803 6.458 1.00 2.48 H new ATOM 0 HB3 SER A 42 -9.290 1.237 6.066 1.00 2.48 H new ATOM 0 HG SER A 42 -8.520 2.840 8.054 1.00 3.19 H new ATOM 665 N VAL A 43 -6.142 2.575 5.700 1.00 1.15 N ATOM 666 CA VAL A 43 -4.752 2.030 5.734 1.00 1.36 C ATOM 667 C VAL A 43 -4.512 1.502 7.163 1.00 1.50 C ATOM 668 O VAL A 43 -3.465 0.989 7.495 1.00 2.05 O ATOM 669 CB VAL A 43 -3.770 3.165 5.378 1.00 1.58 C ATOM 670 CG1 VAL A 43 -3.836 4.274 6.441 1.00 1.76 C ATOM 671 CG2 VAL A 43 -2.332 2.623 5.295 1.00 2.09 C ATOM 0 H VAL A 43 -6.352 3.223 6.460 1.00 1.15 H new ATOM 0 HA VAL A 43 -4.604 1.222 5.017 1.00 1.36 H new ATOM 0 HB VAL A 43 -4.054 3.574 4.409 1.00 1.58 H new ATOM 0 HG11 VAL A 43 -3.139 5.070 6.180 1.00 1.76 H new ATOM 0 HG12 VAL A 43 -4.848 4.677 6.484 1.00 1.76 H new ATOM 0 HG13 VAL A 43 -3.568 3.862 7.414 1.00 1.76 H new ATOM 0 HG21 VAL A 43 -1.651 3.436 5.043 1.00 2.09 H new ATOM 0 HG22 VAL A 43 -2.048 2.196 6.257 1.00 2.09 H new ATOM 0 HG23 VAL A 43 -2.277 1.852 4.526 1.00 2.09 H new ATOM 681 N THR A 44 -5.533 1.655 7.964 1.00 1.46 N ATOM 682 CA THR A 44 -5.510 1.222 9.389 1.00 1.74 C ATOM 683 C THR A 44 -6.533 0.109 9.597 1.00 1.70 C ATOM 684 O THR A 44 -6.241 -0.930 10.164 1.00 2.33 O ATOM 685 CB THR A 44 -5.910 2.416 10.258 1.00 1.97 C ATOM 686 OG1 THR A 44 -7.015 3.014 9.570 1.00 1.73 O ATOM 687 CG2 THR A 44 -4.819 3.496 10.287 1.00 2.36 C ATOM 0 H THR A 44 -6.415 2.079 7.675 1.00 1.46 H new ATOM 0 HA THR A 44 -4.515 0.863 9.654 1.00 1.74 H new ATOM 0 HB THR A 44 -6.108 2.079 11.276 1.00 1.97 H new ATOM 0 HG1 THR A 44 -7.330 3.794 10.073 1.00 1.73 H new ATOM 0 HG21 THR A 44 -5.144 4.325 10.915 1.00 2.36 H new ATOM 0 HG22 THR A 44 -3.899 3.073 10.692 1.00 2.36 H new ATOM 0 HG23 THR A 44 -4.638 3.857 9.275 1.00 2.36 H new ATOM 695 N GLN A 45 -7.720 0.356 9.099 1.00 1.44 N ATOM 696 CA GLN A 45 -8.823 -0.640 9.232 1.00 1.72 C ATOM 697 C GLN A 45 -8.661 -1.736 8.173 1.00 1.66 C ATOM 698 O GLN A 45 -9.611 -2.129 7.525 1.00 2.12 O ATOM 699 CB GLN A 45 -10.174 0.069 9.025 1.00 2.20 C ATOM 700 CG GLN A 45 -10.443 1.072 10.158 1.00 2.57 C ATOM 701 CD GLN A 45 -11.847 1.668 9.972 1.00 3.29 C ATOM 702 OE1 GLN A 45 -12.783 0.974 9.648 1.00 4.09 O ATOM 703 NE2 GLN A 45 -12.049 2.936 10.173 1.00 4.07 N ATOM 0 H GLN A 45 -7.971 1.211 8.603 1.00 1.44 H new ATOM 0 HA GLN A 45 -8.788 -1.088 10.225 1.00 1.72 H new ATOM 0 HB2 GLN A 45 -10.175 0.588 8.066 1.00 2.20 H new ATOM 0 HB3 GLN A 45 -10.975 -0.669 8.989 1.00 2.20 H new ATOM 0 HG2 GLN A 45 -10.369 0.576 11.126 1.00 2.57 H new ATOM 0 HG3 GLN A 45 -9.693 1.863 10.147 1.00 2.57 H new ATOM 0 HE21 GLN A 45 -11.273 3.539 10.447 1.00 4.07 H new ATOM 0 HE22 GLN A 45 -12.983 3.328 10.057 1.00 4.07 H new ATOM 712 N ILE A 46 -7.459 -2.222 8.050 1.00 1.31 N ATOM 713 CA ILE A 46 -7.165 -3.297 7.057 1.00 1.27 C ATOM 714 C ILE A 46 -6.816 -4.562 7.839 1.00 1.30 C ATOM 715 O ILE A 46 -6.196 -4.479 8.881 1.00 1.31 O ATOM 716 CB ILE A 46 -5.976 -2.824 6.170 1.00 1.12 C ATOM 717 CG1 ILE A 46 -6.491 -2.245 4.837 1.00 1.55 C ATOM 718 CG2 ILE A 46 -4.996 -3.972 5.861 1.00 1.10 C ATOM 719 CD1 ILE A 46 -7.490 -1.107 5.091 1.00 1.98 C ATOM 0 H ILE A 46 -6.656 -1.918 8.601 1.00 1.31 H new ATOM 0 HA ILE A 46 -8.015 -3.506 6.408 1.00 1.27 H new ATOM 0 HB ILE A 46 -5.449 -2.055 6.735 1.00 1.12 H new ATOM 0 HG12 ILE A 46 -5.652 -1.875 4.247 1.00 1.55 H new ATOM 0 HG13 ILE A 46 -6.969 -3.032 4.253 1.00 1.55 H new ATOM 0 HG21 ILE A 46 -4.182 -3.598 5.240 1.00 1.10 H new ATOM 0 HG22 ILE A 46 -4.590 -4.365 6.793 1.00 1.10 H new ATOM 0 HG23 ILE A 46 -5.522 -4.766 5.331 1.00 1.10 H new ATOM 0 HD11 ILE A 46 -7.842 -0.712 4.138 1.00 1.98 H new ATOM 0 HD12 ILE A 46 -8.338 -1.487 5.661 1.00 1.98 H new ATOM 0 HD13 ILE A 46 -7.001 -0.313 5.655 1.00 1.98 H new ATOM 731 N LYS A 47 -7.200 -5.701 7.330 1.00 1.38 N ATOM 732 CA LYS A 47 -6.880 -6.966 8.057 1.00 1.44 C ATOM 733 C LYS A 47 -5.930 -7.804 7.193 1.00 1.16 C ATOM 734 O LYS A 47 -5.840 -7.589 6.002 1.00 1.15 O ATOM 735 CB LYS A 47 -8.179 -7.752 8.335 1.00 1.89 C ATOM 736 CG LYS A 47 -8.902 -8.046 7.013 1.00 3.83 C ATOM 737 CD LYS A 47 -9.810 -9.279 7.153 1.00 5.33 C ATOM 738 CE LYS A 47 -10.171 -9.772 5.747 1.00 7.26 C ATOM 739 NZ LYS A 47 -8.921 -10.139 5.015 1.00 8.04 N ATOM 0 H LYS A 47 -7.714 -5.812 6.456 1.00 1.38 H new ATOM 0 HA LYS A 47 -6.402 -6.737 9.010 1.00 1.44 H new ATOM 0 HB2 LYS A 47 -7.947 -8.685 8.849 1.00 1.89 H new ATOM 0 HB3 LYS A 47 -8.828 -7.177 8.995 1.00 1.89 H new ATOM 0 HG2 LYS A 47 -9.497 -7.182 6.718 1.00 3.83 H new ATOM 0 HG3 LYS A 47 -8.171 -8.214 6.222 1.00 3.83 H new ATOM 0 HD2 LYS A 47 -9.301 -10.064 7.712 1.00 5.33 H new ATOM 0 HD3 LYS A 47 -10.712 -9.025 7.710 1.00 5.33 H new ATOM 0 HE2 LYS A 47 -10.835 -10.634 5.811 1.00 7.26 H new ATOM 0 HE3 LYS A 47 -10.709 -8.995 5.204 1.00 7.26 H new ATOM 0 HZ1 LYS A 47 -9.153 -10.786 4.234 1.00 8.04 H new ATOM 0 HZ2 LYS A 47 -8.478 -9.280 4.632 1.00 8.04 H new ATOM 0 HZ3 LYS A 47 -8.261 -10.607 5.668 1.00 8.04 H new ATOM 753 N PRO A 48 -5.237 -8.737 7.806 1.00 1.07 N ATOM 754 CA PRO A 48 -4.478 -9.786 7.072 1.00 0.94 C ATOM 755 C PRO A 48 -5.291 -10.401 5.920 1.00 1.08 C ATOM 756 O PRO A 48 -6.499 -10.507 6.005 1.00 1.31 O ATOM 757 CB PRO A 48 -4.177 -10.816 8.159 1.00 1.09 C ATOM 758 CG PRO A 48 -4.134 -10.015 9.473 1.00 1.16 C ATOM 759 CD PRO A 48 -5.122 -8.856 9.286 1.00 1.25 C ATOM 0 HA PRO A 48 -3.584 -9.394 6.588 1.00 0.94 H new ATOM 0 HB2 PRO A 48 -4.946 -11.588 8.193 1.00 1.09 H new ATOM 0 HB3 PRO A 48 -3.228 -11.319 7.973 1.00 1.09 H new ATOM 0 HG2 PRO A 48 -4.418 -10.638 10.321 1.00 1.16 H new ATOM 0 HG3 PRO A 48 -3.129 -9.644 9.673 1.00 1.16 H new ATOM 0 HD2 PRO A 48 -6.086 -9.071 9.748 1.00 1.25 H new ATOM 0 HD3 PRO A 48 -4.751 -7.935 9.736 1.00 1.25 H new ATOM 767 N HIS A 49 -4.609 -10.794 4.874 1.00 1.21 N ATOM 768 CA HIS A 49 -5.275 -11.427 3.682 1.00 1.55 C ATOM 769 C HIS A 49 -6.347 -10.519 3.063 1.00 1.55 C ATOM 770 O HIS A 49 -7.524 -10.860 3.000 1.00 1.66 O ATOM 771 CB HIS A 49 -5.903 -12.772 4.085 1.00 1.88 C ATOM 772 CG HIS A 49 -4.874 -13.831 4.486 1.00 2.44 C ATOM 773 ND1 HIS A 49 -5.198 -15.093 4.574 1.00 3.03 N ATOM 774 CD2 HIS A 49 -3.547 -13.745 4.831 1.00 3.45 C ATOM 775 CE1 HIS A 49 -4.141 -15.772 4.957 1.00 3.79 C ATOM 776 NE2 HIS A 49 -3.140 -14.944 5.111 1.00 3.95 N ATOM 0 H HIS A 49 -3.597 -10.703 4.790 1.00 1.21 H new ATOM 0 HA HIS A 49 -4.505 -11.587 2.927 1.00 1.55 H new ATOM 0 HB2 HIS A 49 -6.588 -12.609 4.917 1.00 1.88 H new ATOM 0 HB3 HIS A 49 -6.497 -13.151 3.253 1.00 1.88 H new ATOM 0 HD2 HIS A 49 -2.952 -12.844 4.863 1.00 3.45 H new ATOM 0 HE1 HIS A 49 -4.104 -16.839 5.118 1.00 3.79 H new ATOM 0 HE2 HIS A 49 -2.196 -15.199 5.403 1.00 3.95 H new ATOM 784 N SER A 50 -5.920 -9.368 2.629 1.00 1.51 N ATOM 785 CA SER A 50 -6.885 -8.427 1.992 1.00 1.59 C ATOM 786 C SER A 50 -6.197 -7.738 0.831 1.00 1.60 C ATOM 787 O SER A 50 -5.012 -7.876 0.658 1.00 2.18 O ATOM 788 CB SER A 50 -7.342 -7.380 3.003 1.00 1.55 C ATOM 789 OG SER A 50 -7.677 -8.157 4.132 1.00 1.78 O ATOM 0 H SER A 50 -4.956 -9.039 2.686 1.00 1.51 H new ATOM 0 HA SER A 50 -7.756 -8.981 1.640 1.00 1.59 H new ATOM 0 HB2 SER A 50 -6.552 -6.662 3.226 1.00 1.55 H new ATOM 0 HB3 SER A 50 -8.196 -6.810 2.637 1.00 1.55 H new ATOM 0 HG SER A 50 -6.950 -8.112 4.788 1.00 1.78 H new ATOM 795 N THR A 51 -6.959 -7.029 0.072 1.00 1.54 N ATOM 796 CA THR A 51 -6.398 -6.296 -1.091 1.00 1.56 C ATOM 797 C THR A 51 -6.492 -4.805 -0.798 1.00 1.37 C ATOM 798 O THR A 51 -7.592 -4.273 -0.699 1.00 1.72 O ATOM 799 CB THR A 51 -7.239 -6.610 -2.332 1.00 1.89 C ATOM 800 OG1 THR A 51 -8.568 -6.720 -1.827 1.00 2.48 O ATOM 801 CG2 THR A 51 -6.913 -7.985 -2.935 1.00 1.90 C ATOM 0 H THR A 51 -7.964 -6.920 0.204 1.00 1.54 H new ATOM 0 HA THR A 51 -5.363 -6.590 -1.264 1.00 1.56 H new ATOM 0 HB THR A 51 -7.070 -5.851 -3.096 1.00 1.89 H new ATOM 0 HG1 THR A 51 -8.798 -5.906 -1.332 1.00 2.48 H new ATOM 0 HG21 THR A 51 -7.538 -8.155 -3.812 1.00 1.90 H new ATOM 0 HG22 THR A 51 -5.863 -8.015 -3.227 1.00 1.90 H new ATOM 0 HG23 THR A 51 -7.106 -8.762 -2.195 1.00 1.90 H new ATOM 809 N VAL A 52 -5.367 -4.171 -0.627 1.00 1.04 N ATOM 810 CA VAL A 52 -5.401 -2.707 -0.342 1.00 1.16 C ATOM 811 C VAL A 52 -4.826 -1.964 -1.550 1.00 1.39 C ATOM 812 O VAL A 52 -3.720 -2.257 -1.950 1.00 1.69 O ATOM 813 CB VAL A 52 -4.566 -2.403 0.911 1.00 1.28 C ATOM 814 CG1 VAL A 52 -4.879 -0.976 1.380 1.00 2.00 C ATOM 815 CG2 VAL A 52 -4.919 -3.395 2.029 1.00 1.64 C ATOM 0 H VAL A 52 -4.439 -4.592 -0.671 1.00 1.04 H new ATOM 0 HA VAL A 52 -6.426 -2.383 -0.163 1.00 1.16 H new ATOM 0 HB VAL A 52 -3.506 -2.496 0.675 1.00 1.28 H new ATOM 0 HG11 VAL A 52 -4.292 -0.748 2.270 1.00 2.00 H new ATOM 0 HG12 VAL A 52 -4.628 -0.270 0.589 1.00 2.00 H new ATOM 0 HG13 VAL A 52 -5.940 -0.895 1.615 1.00 2.00 H new ATOM 0 HG21 VAL A 52 -4.323 -3.173 2.914 1.00 1.64 H new ATOM 0 HG22 VAL A 52 -5.978 -3.307 2.273 1.00 1.64 H new ATOM 0 HG23 VAL A 52 -4.707 -4.411 1.694 1.00 1.64 H new ATOM 825 N ASP A 53 -5.546 -1.019 -2.106 1.00 1.40 N ATOM 826 CA ASP A 53 -4.980 -0.317 -3.302 1.00 1.80 C ATOM 827 C ASP A 53 -4.744 1.169 -3.036 1.00 1.79 C ATOM 828 O ASP A 53 -5.234 1.737 -2.074 1.00 2.01 O ATOM 829 CB ASP A 53 -5.928 -0.489 -4.506 1.00 2.17 C ATOM 830 CG ASP A 53 -6.995 0.606 -4.555 1.00 3.06 C ATOM 831 OD1 ASP A 53 -7.652 0.796 -3.544 1.00 3.89 O ATOM 832 OD2 ASP A 53 -7.174 1.130 -5.642 1.00 3.98 O ATOM 0 H ASP A 53 -6.468 -0.711 -1.798 1.00 1.40 H new ATOM 0 HA ASP A 53 -4.013 -0.769 -3.523 1.00 1.80 H new ATOM 0 HB2 ASP A 53 -5.349 -0.472 -5.429 1.00 2.17 H new ATOM 0 HB3 ASP A 53 -6.411 -1.464 -4.451 1.00 2.17 H new ATOM 837 N PHE A 54 -3.958 1.730 -3.917 1.00 1.70 N ATOM 838 CA PHE A 54 -3.606 3.194 -3.830 1.00 1.77 C ATOM 839 C PHE A 54 -4.099 3.943 -5.081 1.00 1.51 C ATOM 840 O PHE A 54 -4.758 3.379 -5.936 1.00 1.72 O ATOM 841 CB PHE A 54 -2.078 3.407 -3.765 1.00 2.25 C ATOM 842 CG PHE A 54 -1.367 2.389 -2.867 1.00 1.54 C ATOM 843 CD1 PHE A 54 -1.246 1.074 -3.266 1.00 1.86 C ATOM 844 CD2 PHE A 54 -0.761 2.789 -1.688 1.00 2.22 C ATOM 845 CE1 PHE A 54 -0.532 0.177 -2.508 1.00 1.96 C ATOM 846 CE2 PHE A 54 -0.042 1.889 -0.927 1.00 2.79 C ATOM 847 CZ PHE A 54 0.071 0.581 -1.336 1.00 2.37 C ATOM 0 H PHE A 54 -3.536 1.238 -4.705 1.00 1.70 H new ATOM 0 HA PHE A 54 -4.082 3.572 -2.925 1.00 1.77 H new ATOM 0 HB2 PHE A 54 -1.665 3.345 -4.772 1.00 2.25 H new ATOM 0 HB3 PHE A 54 -1.873 4.412 -3.398 1.00 2.25 H new ATOM 0 HD1 PHE A 54 -1.716 0.747 -4.182 1.00 1.86 H new ATOM 0 HD2 PHE A 54 -0.852 3.814 -1.361 1.00 2.22 H new ATOM 0 HE1 PHE A 54 -0.443 -0.849 -2.832 1.00 1.96 H new ATOM 0 HE2 PHE A 54 0.431 2.212 -0.011 1.00 2.79 H new ATOM 0 HZ PHE A 54 0.630 -0.127 -0.742 1.00 2.37 H new ATOM 857 N ARG A 55 -3.695 5.191 -5.190 1.00 1.79 N ATOM 858 CA ARG A 55 -4.106 6.012 -6.366 1.00 1.91 C ATOM 859 C ARG A 55 -3.135 5.830 -7.547 1.00 1.59 C ATOM 860 O ARG A 55 -1.933 5.649 -7.377 1.00 2.27 O ATOM 861 CB ARG A 55 -4.143 7.508 -5.980 1.00 2.96 C ATOM 862 CG ARG A 55 -2.708 8.067 -5.838 1.00 4.51 C ATOM 863 CD ARG A 55 -2.751 9.591 -5.692 1.00 5.73 C ATOM 864 NE ARG A 55 -3.123 9.930 -4.295 1.00 6.24 N ATOM 865 CZ ARG A 55 -2.350 10.670 -3.560 1.00 7.59 C ATOM 866 NH1 ARG A 55 -1.078 10.588 -3.718 1.00 8.42 N ATOM 867 NH2 ARG A 55 -2.889 11.439 -2.674 1.00 8.50 N ATOM 0 H ARG A 55 -3.100 5.670 -4.514 1.00 1.79 H new ATOM 0 HA ARG A 55 -5.097 5.676 -6.670 1.00 1.91 H new ATOM 0 HB2 ARG A 55 -4.686 8.072 -6.739 1.00 2.96 H new ATOM 0 HB3 ARG A 55 -4.683 7.634 -5.042 1.00 2.96 H new ATOM 0 HG2 ARG A 55 -2.221 7.624 -4.969 1.00 4.51 H new ATOM 0 HG3 ARG A 55 -2.115 7.794 -6.710 1.00 4.51 H new ATOM 0 HD2 ARG A 55 -1.780 10.021 -5.938 1.00 5.73 H new ATOM 0 HD3 ARG A 55 -3.474 10.016 -6.388 1.00 5.73 H new ATOM 0 HE ARG A 55 -3.998 9.577 -3.908 1.00 6.24 H new ATOM 0 HH11 ARG A 55 -0.690 9.949 -4.412 1.00 8.42 H new ATOM 0 HH12 ARG A 55 -0.455 11.162 -3.149 1.00 8.42 H new ATOM 0 HH21 ARG A 55 -3.903 11.456 -2.563 1.00 8.50 H new ATOM 0 HH22 ARG A 55 -2.301 12.029 -2.085 1.00 8.50 H new ATOM 881 N VAL A 56 -3.679 5.977 -8.724 1.00 2.02 N ATOM 882 CA VAL A 56 -2.888 5.832 -9.954 1.00 2.86 C ATOM 883 C VAL A 56 -2.422 7.215 -10.427 1.00 2.30 C ATOM 884 O VAL A 56 -2.407 7.510 -11.604 1.00 2.89 O ATOM 885 CB VAL A 56 -3.826 5.162 -10.981 1.00 4.45 C ATOM 886 CG1 VAL A 56 -4.360 3.839 -10.415 1.00 5.74 C ATOM 887 CG2 VAL A 56 -5.028 6.066 -11.305 1.00 5.33 C ATOM 0 H VAL A 56 -4.663 6.197 -8.876 1.00 2.02 H new ATOM 0 HA VAL A 56 -1.992 5.229 -9.809 1.00 2.86 H new ATOM 0 HB VAL A 56 -3.250 4.986 -11.890 1.00 4.45 H new ATOM 0 HG11 VAL A 56 -5.021 3.372 -11.145 1.00 5.74 H new ATOM 0 HG12 VAL A 56 -3.525 3.171 -10.202 1.00 5.74 H new ATOM 0 HG13 VAL A 56 -4.913 4.033 -9.496 1.00 5.74 H new ATOM 0 HG21 VAL A 56 -5.672 5.569 -12.031 1.00 5.33 H new ATOM 0 HG22 VAL A 56 -5.592 6.262 -10.393 1.00 5.33 H new ATOM 0 HG23 VAL A 56 -4.673 7.009 -11.721 1.00 5.33 H new ATOM 897 N LYS A 57 -1.999 8.039 -9.500 1.00 1.78 N ATOM 898 CA LYS A 57 -1.551 9.411 -9.902 1.00 1.52 C ATOM 899 C LYS A 57 -0.096 9.373 -10.382 1.00 1.43 C ATOM 900 O LYS A 57 0.789 9.834 -9.698 1.00 2.56 O ATOM 901 CB LYS A 57 -1.694 10.355 -8.698 1.00 1.95 C ATOM 902 CG LYS A 57 -1.587 11.823 -9.148 1.00 3.00 C ATOM 903 CD LYS A 57 -2.885 12.245 -9.862 1.00 4.15 C ATOM 904 CE LYS A 57 -2.735 13.661 -10.432 1.00 5.39 C ATOM 905 NZ LYS A 57 -1.803 13.655 -11.596 1.00 6.23 N ATOM 0 H LYS A 57 -1.944 7.829 -8.503 1.00 1.78 H new ATOM 0 HA LYS A 57 -2.170 9.773 -10.723 1.00 1.52 H new ATOM 0 HB2 LYS A 57 -2.654 10.187 -8.209 1.00 1.95 H new ATOM 0 HB3 LYS A 57 -0.919 10.136 -7.963 1.00 1.95 H new ATOM 0 HG2 LYS A 57 -1.410 12.465 -8.285 1.00 3.00 H new ATOM 0 HG3 LYS A 57 -0.736 11.947 -9.818 1.00 3.00 H new ATOM 0 HD2 LYS A 57 -3.113 11.543 -10.665 1.00 4.15 H new ATOM 0 HD3 LYS A 57 -3.721 12.212 -9.163 1.00 4.15 H new ATOM 0 HE2 LYS A 57 -3.709 14.041 -10.739 1.00 5.39 H new ATOM 0 HE3 LYS A 57 -2.359 14.333 -9.660 1.00 5.39 H new ATOM 0 HZ1 LYS A 57 -1.039 14.342 -11.433 1.00 6.23 H new ATOM 0 HZ2 LYS A 57 -1.396 12.705 -11.710 1.00 6.23 H new ATOM 0 HZ3 LYS A 57 -2.323 13.915 -12.458 1.00 6.23 H new ATOM 919 N ALA A 58 0.072 8.768 -11.543 1.00 1.97 N ATOM 920 CA ALA A 58 1.411 8.608 -12.230 1.00 2.05 C ATOM 921 C ALA A 58 2.591 9.294 -11.525 1.00 2.08 C ATOM 922 O ALA A 58 3.503 8.636 -11.045 1.00 2.64 O ATOM 923 CB ALA A 58 1.290 9.167 -13.650 1.00 2.38 C ATOM 0 H ALA A 58 -0.701 8.359 -12.068 1.00 1.97 H new ATOM 0 HA ALA A 58 1.638 7.542 -12.213 1.00 2.05 H new ATOM 0 HB1 ALA A 58 2.245 9.062 -14.165 1.00 2.38 H new ATOM 0 HB2 ALA A 58 0.522 8.616 -14.194 1.00 2.38 H new ATOM 0 HB3 ALA A 58 1.017 10.221 -13.604 1.00 2.38 H new ATOM 929 N GLU A 59 2.557 10.603 -11.515 1.00 2.23 N ATOM 930 CA GLU A 59 3.644 11.388 -10.855 1.00 2.45 C ATOM 931 C GLU A 59 3.890 10.909 -9.405 1.00 2.12 C ATOM 932 O GLU A 59 5.010 10.626 -9.038 1.00 2.43 O ATOM 933 CB GLU A 59 3.301 12.896 -10.885 1.00 3.15 C ATOM 934 CG GLU A 59 1.858 13.187 -10.426 1.00 3.36 C ATOM 935 CD GLU A 59 0.891 13.185 -11.612 1.00 4.39 C ATOM 936 OE1 GLU A 59 0.724 14.250 -12.171 1.00 5.33 O ATOM 937 OE2 GLU A 59 0.315 12.138 -11.857 1.00 4.90 O ATOM 0 H GLU A 59 1.818 11.165 -11.938 1.00 2.23 H new ATOM 0 HA GLU A 59 4.567 11.225 -11.412 1.00 2.45 H new ATOM 0 HB2 GLU A 59 3.998 13.436 -10.244 1.00 3.15 H new ATOM 0 HB3 GLU A 59 3.440 13.276 -11.897 1.00 3.15 H new ATOM 0 HG2 GLU A 59 1.547 12.438 -9.698 1.00 3.36 H new ATOM 0 HG3 GLU A 59 1.821 14.154 -9.924 1.00 3.36 H new ATOM 944 N ASP A 60 2.841 10.759 -8.627 1.00 2.32 N ATOM 945 CA ASP A 60 2.999 10.293 -7.197 1.00 2.95 C ATOM 946 C ASP A 60 3.088 8.756 -7.134 1.00 2.75 C ATOM 947 O ASP A 60 2.802 8.157 -6.110 1.00 3.62 O ATOM 948 CB ASP A 60 1.777 10.766 -6.368 1.00 4.02 C ATOM 949 CG ASP A 60 1.931 10.406 -4.879 1.00 4.53 C ATOM 950 OD1 ASP A 60 2.818 10.952 -4.259 1.00 4.96 O ATOM 951 OD2 ASP A 60 1.154 9.593 -4.414 1.00 5.46 O ATOM 0 H ASP A 60 1.879 10.938 -8.915 1.00 2.32 H new ATOM 0 HA ASP A 60 3.917 10.716 -6.790 1.00 2.95 H new ATOM 0 HB2 ASP A 60 1.661 11.845 -6.472 1.00 4.02 H new ATOM 0 HB3 ASP A 60 0.870 10.308 -6.762 1.00 4.02 H new ATOM 956 N ILE A 61 3.503 8.141 -8.210 1.00 1.74 N ATOM 957 CA ILE A 61 3.622 6.647 -8.191 1.00 1.58 C ATOM 958 C ILE A 61 5.094 6.295 -7.892 1.00 1.49 C ATOM 959 O ILE A 61 5.537 6.520 -6.782 1.00 2.23 O ATOM 960 CB ILE A 61 3.176 6.071 -9.555 1.00 1.67 C ATOM 961 CG1 ILE A 61 1.753 6.545 -9.917 1.00 2.19 C ATOM 962 CG2 ILE A 61 3.190 4.540 -9.484 1.00 1.95 C ATOM 963 CD1 ILE A 61 0.696 5.904 -9.021 1.00 3.64 C ATOM 0 H ILE A 61 3.761 8.594 -9.087 1.00 1.74 H new ATOM 0 HA ILE A 61 2.980 6.214 -7.424 1.00 1.58 H new ATOM 0 HB ILE A 61 3.866 6.424 -10.321 1.00 1.67 H new ATOM 0 HG12 ILE A 61 1.697 7.630 -9.826 1.00 2.19 H new ATOM 0 HG13 ILE A 61 1.543 6.301 -10.958 1.00 2.19 H new ATOM 0 HG21 ILE A 61 2.876 4.128 -10.443 1.00 1.95 H new ATOM 0 HG22 ILE A 61 4.198 4.196 -9.254 1.00 1.95 H new ATOM 0 HG23 ILE A 61 2.505 4.206 -8.704 1.00 1.95 H new ATOM 0 HD11 ILE A 61 -0.292 6.264 -9.309 1.00 3.64 H new ATOM 0 HD12 ILE A 61 0.734 4.820 -9.132 1.00 3.64 H new ATOM 0 HD13 ILE A 61 0.890 6.169 -7.982 1.00 3.64 H new ATOM 975 N LEU A 62 5.803 5.783 -8.887 1.00 1.50 N ATOM 976 CA LEU A 62 7.263 5.392 -8.779 1.00 1.37 C ATOM 977 C LEU A 62 7.715 4.964 -7.373 1.00 1.24 C ATOM 978 O LEU A 62 7.951 3.793 -7.125 1.00 1.54 O ATOM 979 CB LEU A 62 8.109 6.592 -9.234 1.00 1.70 C ATOM 980 CG LEU A 62 7.768 6.959 -10.687 1.00 2.99 C ATOM 981 CD1 LEU A 62 8.282 8.371 -10.997 1.00 3.82 C ATOM 982 CD2 LEU A 62 8.451 5.966 -11.635 1.00 3.57 C ATOM 0 H LEU A 62 5.409 5.613 -9.812 1.00 1.50 H new ATOM 0 HA LEU A 62 7.401 4.514 -9.411 1.00 1.37 H new ATOM 0 HB2 LEU A 62 7.923 7.446 -8.582 1.00 1.70 H new ATOM 0 HB3 LEU A 62 9.169 6.352 -9.151 1.00 1.70 H new ATOM 0 HG LEU A 62 6.687 6.922 -10.822 1.00 2.99 H new ATOM 0 HD11 LEU A 62 8.039 8.629 -12.028 1.00 3.82 H new ATOM 0 HD12 LEU A 62 7.810 9.086 -10.323 1.00 3.82 H new ATOM 0 HD13 LEU A 62 9.363 8.403 -10.860 1.00 3.82 H new ATOM 0 HD21 LEU A 62 8.211 6.224 -12.667 1.00 3.57 H new ATOM 0 HD22 LEU A 62 9.531 6.010 -11.492 1.00 3.57 H new ATOM 0 HD23 LEU A 62 8.098 4.957 -11.421 1.00 3.57 H new ATOM 994 N ALA A 63 7.855 5.923 -6.491 1.00 1.03 N ATOM 995 CA ALA A 63 8.285 5.611 -5.096 1.00 1.04 C ATOM 996 C ALA A 63 7.405 4.500 -4.517 1.00 0.98 C ATOM 997 O ALA A 63 7.857 3.690 -3.739 1.00 1.26 O ATOM 998 CB ALA A 63 8.157 6.875 -4.241 1.00 1.30 C ATOM 0 H ALA A 63 7.689 6.912 -6.680 1.00 1.03 H new ATOM 0 HA ALA A 63 9.321 5.273 -5.098 1.00 1.04 H new ATOM 0 HB1 ALA A 63 8.469 6.657 -3.220 1.00 1.30 H new ATOM 0 HB2 ALA A 63 8.791 7.660 -4.654 1.00 1.30 H new ATOM 0 HB3 ALA A 63 7.120 7.210 -4.240 1.00 1.30 H new ATOM 1004 N VAL A 64 6.154 4.511 -4.899 1.00 0.91 N ATOM 1005 CA VAL A 64 5.228 3.460 -4.388 1.00 0.89 C ATOM 1006 C VAL A 64 5.665 2.101 -4.953 1.00 0.77 C ATOM 1007 O VAL A 64 5.721 1.127 -4.231 1.00 0.85 O ATOM 1008 CB VAL A 64 3.788 3.768 -4.835 1.00 1.00 C ATOM 1009 CG1 VAL A 64 2.825 2.813 -4.119 1.00 1.13 C ATOM 1010 CG2 VAL A 64 3.415 5.214 -4.475 1.00 1.20 C ATOM 0 H VAL A 64 5.739 5.193 -5.534 1.00 0.91 H new ATOM 0 HA VAL A 64 5.261 3.438 -3.299 1.00 0.89 H new ATOM 0 HB VAL A 64 3.717 3.639 -5.915 1.00 1.00 H new ATOM 0 HG11 VAL A 64 1.803 3.026 -4.431 1.00 1.13 H new ATOM 0 HG12 VAL A 64 3.076 1.784 -4.375 1.00 1.13 H new ATOM 0 HG13 VAL A 64 2.911 2.950 -3.041 1.00 1.13 H new ATOM 0 HG21 VAL A 64 2.394 5.417 -4.797 1.00 1.20 H new ATOM 0 HG22 VAL A 64 3.489 5.351 -3.396 1.00 1.20 H new ATOM 0 HG23 VAL A 64 4.097 5.901 -4.976 1.00 1.20 H new ATOM 1020 N GLU A 65 5.971 2.085 -6.232 1.00 0.70 N ATOM 1021 CA GLU A 65 6.416 0.823 -6.898 1.00 0.74 C ATOM 1022 C GLU A 65 7.689 0.361 -6.172 1.00 0.73 C ATOM 1023 O GLU A 65 7.744 -0.729 -5.623 1.00 0.78 O ATOM 1024 CB GLU A 65 6.691 1.123 -8.397 1.00 0.83 C ATOM 1025 CG GLU A 65 5.465 1.836 -9.018 1.00 1.15 C ATOM 1026 CD GLU A 65 5.686 2.176 -10.510 1.00 1.70 C ATOM 1027 OE1 GLU A 65 5.761 1.237 -11.292 1.00 2.44 O ATOM 1028 OE2 GLU A 65 5.719 3.367 -10.818 1.00 2.73 O ATOM 0 H GLU A 65 5.930 2.900 -6.844 1.00 0.70 H new ATOM 0 HA GLU A 65 5.662 0.038 -6.848 1.00 0.74 H new ATOM 0 HB2 GLU A 65 7.577 1.750 -8.496 1.00 0.83 H new ATOM 0 HB3 GLU A 65 6.895 0.196 -8.932 1.00 0.83 H new ATOM 0 HG2 GLU A 65 4.586 1.199 -8.918 1.00 1.15 H new ATOM 0 HG3 GLU A 65 5.260 2.752 -8.464 1.00 1.15 H new ATOM 1035 N ASP A 66 8.658 1.240 -6.156 1.00 0.77 N ATOM 1036 CA ASP A 66 9.946 0.948 -5.463 1.00 0.83 C ATOM 1037 C ASP A 66 9.649 0.450 -4.039 1.00 0.77 C ATOM 1038 O ASP A 66 9.989 -0.647 -3.684 1.00 0.81 O ATOM 1039 CB ASP A 66 10.761 2.253 -5.430 1.00 0.91 C ATOM 1040 CG ASP A 66 12.171 2.046 -4.866 1.00 1.37 C ATOM 1041 OD1 ASP A 66 12.545 0.902 -4.684 1.00 2.56 O ATOM 1042 OD2 ASP A 66 12.791 3.063 -4.625 1.00 1.77 O ATOM 0 H ASP A 66 8.610 2.158 -6.599 1.00 0.77 H new ATOM 0 HA ASP A 66 10.512 0.175 -5.982 1.00 0.83 H new ATOM 0 HB2 ASP A 66 10.832 2.660 -6.439 1.00 0.91 H new ATOM 0 HB3 ASP A 66 10.235 2.992 -4.825 1.00 0.91 H new ATOM 1047 N PHE A 67 8.996 1.273 -3.266 1.00 0.71 N ATOM 1048 CA PHE A 67 8.636 0.892 -1.862 1.00 0.70 C ATOM 1049 C PHE A 67 7.994 -0.500 -1.822 1.00 0.67 C ATOM 1050 O PHE A 67 8.430 -1.370 -1.085 1.00 0.85 O ATOM 1051 CB PHE A 67 7.649 1.924 -1.306 1.00 0.67 C ATOM 1052 CG PHE A 67 7.377 1.588 0.164 1.00 0.71 C ATOM 1053 CD1 PHE A 67 6.432 0.634 0.504 1.00 0.78 C ATOM 1054 CD2 PHE A 67 8.130 2.173 1.165 1.00 0.87 C ATOM 1055 CE1 PHE A 67 6.252 0.267 1.820 1.00 0.87 C ATOM 1056 CE2 PHE A 67 7.949 1.805 2.480 1.00 0.93 C ATOM 1057 CZ PHE A 67 7.013 0.851 2.806 1.00 0.87 C ATOM 0 H PHE A 67 8.691 2.205 -3.547 1.00 0.71 H new ATOM 0 HA PHE A 67 9.543 0.870 -1.258 1.00 0.70 H new ATOM 0 HB2 PHE A 67 8.061 2.929 -1.396 1.00 0.67 H new ATOM 0 HB3 PHE A 67 6.721 1.907 -1.877 1.00 0.67 H new ATOM 0 HD1 PHE A 67 5.832 0.175 -0.268 1.00 0.78 H new ATOM 0 HD2 PHE A 67 8.865 2.924 0.914 1.00 0.87 H new ATOM 0 HE1 PHE A 67 5.514 -0.479 2.077 1.00 0.87 H new ATOM 0 HE2 PHE A 67 8.542 2.266 3.256 1.00 0.93 H new ATOM 0 HZ PHE A 67 6.876 0.560 3.837 1.00 0.87 H new ATOM 1067 N LEU A 68 6.947 -0.669 -2.590 1.00 0.62 N ATOM 1068 CA LEU A 68 6.259 -1.992 -2.628 1.00 0.70 C ATOM 1069 C LEU A 68 7.271 -3.075 -2.982 1.00 0.78 C ATOM 1070 O LEU A 68 7.169 -4.196 -2.516 1.00 1.09 O ATOM 1071 CB LEU A 68 5.149 -1.962 -3.687 1.00 0.78 C ATOM 1072 CG LEU A 68 3.997 -1.057 -3.219 1.00 0.85 C ATOM 1073 CD1 LEU A 68 3.054 -0.788 -4.400 1.00 0.97 C ATOM 1074 CD2 LEU A 68 3.214 -1.762 -2.105 1.00 1.07 C ATOM 0 H LEU A 68 6.541 0.050 -3.189 1.00 0.62 H new ATOM 0 HA LEU A 68 5.822 -2.205 -1.652 1.00 0.70 H new ATOM 0 HB2 LEU A 68 5.548 -1.596 -4.633 1.00 0.78 H new ATOM 0 HB3 LEU A 68 4.779 -2.972 -3.866 1.00 0.78 H new ATOM 0 HG LEU A 68 4.402 -0.117 -2.845 1.00 0.85 H new ATOM 0 HD11 LEU A 68 2.235 -0.147 -4.073 1.00 0.97 H new ATOM 0 HD12 LEU A 68 3.605 -0.294 -5.200 1.00 0.97 H new ATOM 0 HD13 LEU A 68 2.651 -1.732 -4.766 1.00 0.97 H new ATOM 0 HD21 LEU A 68 2.397 -1.121 -1.773 1.00 1.07 H new ATOM 0 HD22 LEU A 68 2.808 -2.700 -2.483 1.00 1.07 H new ATOM 0 HD23 LEU A 68 3.879 -1.966 -1.266 1.00 1.07 H new ATOM 1086 N GLU A 69 8.212 -2.704 -3.806 1.00 0.72 N ATOM 1087 CA GLU A 69 9.267 -3.660 -4.234 1.00 0.82 C ATOM 1088 C GLU A 69 10.195 -3.943 -3.044 1.00 0.97 C ATOM 1089 O GLU A 69 10.273 -5.055 -2.567 1.00 1.16 O ATOM 1090 CB GLU A 69 10.048 -3.004 -5.386 1.00 0.91 C ATOM 1091 CG GLU A 69 10.775 -4.064 -6.207 1.00 1.35 C ATOM 1092 CD GLU A 69 9.744 -4.876 -6.992 1.00 2.29 C ATOM 1093 OE1 GLU A 69 9.208 -4.329 -7.936 1.00 2.75 O ATOM 1094 OE2 GLU A 69 9.496 -5.984 -6.575 1.00 3.76 O ATOM 0 H GLU A 69 8.294 -1.769 -4.204 1.00 0.72 H new ATOM 0 HA GLU A 69 8.838 -4.604 -4.569 1.00 0.82 H new ATOM 0 HB2 GLU A 69 9.365 -2.445 -6.025 1.00 0.91 H new ATOM 0 HB3 GLU A 69 10.767 -2.289 -4.986 1.00 0.91 H new ATOM 0 HG2 GLU A 69 11.482 -3.593 -6.889 1.00 1.35 H new ATOM 0 HG3 GLU A 69 11.351 -4.718 -5.553 1.00 1.35 H new ATOM 1101 N GLN A 70 10.867 -2.907 -2.601 1.00 1.01 N ATOM 1102 CA GLN A 70 11.809 -3.001 -1.444 1.00 1.28 C ATOM 1103 C GLN A 70 11.238 -3.875 -0.321 1.00 1.43 C ATOM 1104 O GLN A 70 11.936 -4.716 0.211 1.00 1.72 O ATOM 1105 CB GLN A 70 12.103 -1.583 -0.912 1.00 1.34 C ATOM 1106 CG GLN A 70 12.819 -0.761 -2.003 1.00 1.48 C ATOM 1107 CD GLN A 70 13.337 0.568 -1.426 1.00 2.09 C ATOM 1108 OE1 GLN A 70 14.000 0.597 -0.413 1.00 2.59 O ATOM 1109 NE2 GLN A 70 13.092 1.684 -2.048 1.00 2.49 N ATOM 0 H GLN A 70 10.798 -1.974 -3.007 1.00 1.01 H new ATOM 0 HA GLN A 70 12.731 -3.469 -1.788 1.00 1.28 H new ATOM 0 HB2 GLN A 70 11.174 -1.092 -0.623 1.00 1.34 H new ATOM 0 HB3 GLN A 70 12.725 -1.640 -0.018 1.00 1.34 H new ATOM 0 HG2 GLN A 70 13.651 -1.335 -2.412 1.00 1.48 H new ATOM 0 HG3 GLN A 70 12.133 -0.563 -2.826 1.00 1.48 H new ATOM 0 HE21 GLN A 70 12.535 1.680 -2.903 1.00 2.49 H new ATOM 0 HE22 GLN A 70 13.456 2.563 -1.681 1.00 2.49 H new ATOM 1118 N ASN A 71 10.002 -3.643 0.039 1.00 1.32 N ATOM 1119 CA ASN A 71 9.410 -4.476 1.119 1.00 1.54 C ATOM 1120 C ASN A 71 8.481 -5.533 0.518 1.00 1.46 C ATOM 1121 O ASN A 71 7.482 -5.842 1.130 1.00 1.79 O ATOM 1122 CB ASN A 71 8.570 -3.596 2.047 1.00 1.66 C ATOM 1123 CG ASN A 71 9.394 -2.478 2.688 1.00 1.70 C ATOM 1124 OD1 ASN A 71 10.482 -2.694 3.190 1.00 2.80 O ATOM 1125 ND2 ASN A 71 8.878 -1.277 2.720 1.00 1.65 N ATOM 0 H ASN A 71 9.392 -2.929 -0.359 1.00 1.32 H new ATOM 0 HA ASN A 71 10.222 -4.952 1.668 1.00 1.54 H new ATOM 0 HB2 ASN A 71 7.746 -3.159 1.483 1.00 1.66 H new ATOM 0 HB3 ASN A 71 8.129 -4.214 2.829 1.00 1.66 H new ATOM 0 HD21 ASN A 71 9.387 -0.515 3.167 1.00 1.65 H new ATOM 0 HD22 ASN A 71 7.966 -1.102 2.298 1.00 1.65 H new ATOM 1132 N GLU A 72 8.864 -6.081 -0.623 1.00 1.30 N ATOM 1133 CA GLU A 72 8.042 -7.124 -1.344 1.00 1.30 C ATOM 1134 C GLU A 72 6.613 -7.210 -0.789 1.00 1.26 C ATOM 1135 O GLU A 72 6.094 -8.268 -0.462 1.00 1.65 O ATOM 1136 CB GLU A 72 8.740 -8.482 -1.206 1.00 1.55 C ATOM 1137 CG GLU A 72 10.129 -8.434 -1.873 1.00 2.35 C ATOM 1138 CD GLU A 72 10.814 -9.811 -1.799 1.00 3.19 C ATOM 1139 OE1 GLU A 72 10.480 -10.544 -0.881 1.00 3.98 O ATOM 1140 OE2 GLU A 72 11.655 -10.050 -2.656 1.00 3.94 O ATOM 0 H GLU A 72 9.735 -5.842 -1.096 1.00 1.30 H new ATOM 0 HA GLU A 72 7.965 -6.840 -2.393 1.00 1.30 H new ATOM 0 HB2 GLU A 72 8.843 -8.741 -0.152 1.00 1.55 H new ATOM 0 HB3 GLU A 72 8.133 -9.260 -1.668 1.00 1.55 H new ATOM 0 HG2 GLU A 72 10.028 -8.128 -2.914 1.00 2.35 H new ATOM 0 HG3 GLU A 72 10.750 -7.686 -1.379 1.00 2.35 H new ATOM 1147 N LEU A 73 5.983 -6.074 -0.761 1.00 1.04 N ATOM 1148 CA LEU A 73 4.609 -6.000 -0.226 1.00 1.07 C ATOM 1149 C LEU A 73 3.663 -6.532 -1.295 1.00 1.20 C ATOM 1150 O LEU A 73 3.128 -5.768 -2.072 1.00 2.08 O ATOM 1151 CB LEU A 73 4.321 -4.524 0.138 1.00 0.99 C ATOM 1152 CG LEU A 73 3.902 -4.399 1.618 1.00 1.47 C ATOM 1153 CD1 LEU A 73 4.997 -4.925 2.555 1.00 1.91 C ATOM 1154 CD2 LEU A 73 3.654 -2.926 1.964 1.00 1.94 C ATOM 0 H LEU A 73 6.368 -5.188 -1.090 1.00 1.04 H new ATOM 0 HA LEU A 73 4.475 -6.602 0.673 1.00 1.07 H new ATOM 0 HB2 LEU A 73 5.209 -3.919 -0.046 1.00 0.99 H new ATOM 0 HB3 LEU A 73 3.531 -4.134 -0.503 1.00 0.99 H new ATOM 0 HG LEU A 73 2.996 -4.990 1.753 1.00 1.47 H new ATOM 0 HD11 LEU A 73 4.670 -4.823 3.590 1.00 1.91 H new ATOM 0 HD12 LEU A 73 5.188 -5.976 2.337 1.00 1.91 H new ATOM 0 HD13 LEU A 73 5.911 -4.351 2.405 1.00 1.91 H new ATOM 0 HD21 LEU A 73 3.358 -2.843 3.010 1.00 1.94 H new ATOM 0 HD22 LEU A 73 4.567 -2.355 1.798 1.00 1.94 H new ATOM 0 HD23 LEU A 73 2.860 -2.532 1.330 1.00 1.94 H new ATOM 1166 N GLN A 74 3.578 -7.850 -1.332 1.00 0.87 N ATOM 1167 CA GLN A 74 2.712 -8.609 -2.294 1.00 0.98 C ATOM 1168 C GLN A 74 1.781 -7.691 -3.094 1.00 0.97 C ATOM 1169 O GLN A 74 0.599 -7.619 -2.825 1.00 1.26 O ATOM 1170 CB GLN A 74 1.881 -9.625 -1.483 1.00 1.19 C ATOM 1171 CG GLN A 74 1.660 -10.909 -2.295 1.00 2.89 C ATOM 1172 CD GLN A 74 1.063 -10.580 -3.667 1.00 4.64 C ATOM 1173 OE1 GLN A 74 -0.126 -10.589 -3.873 1.00 5.70 O ATOM 1174 NE2 GLN A 74 1.873 -10.265 -4.629 1.00 5.68 N ATOM 0 H GLN A 74 4.103 -8.454 -0.700 1.00 0.87 H new ATOM 0 HA GLN A 74 3.352 -9.111 -3.020 1.00 0.98 H new ATOM 0 HB2 GLN A 74 2.394 -9.861 -0.551 1.00 1.19 H new ATOM 0 HB3 GLN A 74 0.919 -9.187 -1.216 1.00 1.19 H new ATOM 0 HG2 GLN A 74 2.607 -11.435 -2.420 1.00 2.89 H new ATOM 0 HG3 GLN A 74 0.993 -11.579 -1.753 1.00 2.89 H new ATOM 0 HE21 GLN A 74 2.880 -10.254 -4.465 1.00 5.68 H new ATOM 0 HE22 GLN A 74 1.504 -10.028 -5.550 1.00 5.68 H new ATOM 1183 N TYR A 75 2.317 -7.027 -4.076 1.00 0.95 N ATOM 1184 CA TYR A 75 1.460 -6.106 -4.861 1.00 0.98 C ATOM 1185 C TYR A 75 1.087 -6.745 -6.188 1.00 1.03 C ATOM 1186 O TYR A 75 1.920 -7.327 -6.859 1.00 1.15 O ATOM 1187 CB TYR A 75 2.202 -4.787 -5.096 1.00 1.07 C ATOM 1188 CG TYR A 75 3.536 -5.055 -5.802 1.00 1.08 C ATOM 1189 CD1 TYR A 75 4.631 -5.531 -5.102 1.00 1.06 C ATOM 1190 CD2 TYR A 75 3.637 -4.890 -7.168 1.00 1.33 C ATOM 1191 CE1 TYR A 75 5.799 -5.854 -5.765 1.00 1.26 C ATOM 1192 CE2 TYR A 75 4.804 -5.206 -7.824 1.00 1.49 C ATOM 1193 CZ TYR A 75 5.888 -5.697 -7.133 1.00 1.46 C ATOM 1194 OH TYR A 75 7.013 -6.084 -7.819 1.00 1.78 O ATOM 0 H TYR A 75 3.294 -7.081 -4.365 1.00 0.95 H new ATOM 0 HA TYR A 75 0.545 -5.904 -4.304 1.00 0.98 H new ATOM 0 HB2 TYR A 75 1.589 -4.118 -5.700 1.00 1.07 H new ATOM 0 HB3 TYR A 75 2.379 -4.285 -4.145 1.00 1.07 H new ATOM 0 HD1 TYR A 75 4.572 -5.651 -4.030 1.00 1.06 H new ATOM 0 HD2 TYR A 75 2.794 -4.510 -7.726 1.00 1.33 H new ATOM 0 HE1 TYR A 75 6.646 -6.231 -5.211 1.00 1.26 H new ATOM 0 HE2 TYR A 75 4.870 -5.067 -8.893 1.00 1.49 H new ATOM 0 HH TYR A 75 7.698 -6.381 -7.184 1.00 1.78 H new ATOM 1204 N GLU A 76 -0.164 -6.634 -6.508 1.00 1.17 N ATOM 1205 CA GLU A 76 -0.678 -7.213 -7.784 1.00 1.37 C ATOM 1206 C GLU A 76 -1.388 -6.108 -8.587 1.00 1.49 C ATOM 1207 O GLU A 76 -1.616 -5.036 -8.066 1.00 1.47 O ATOM 1208 CB GLU A 76 -1.631 -8.340 -7.387 1.00 1.48 C ATOM 1209 CG GLU A 76 -2.128 -9.131 -8.608 1.00 2.12 C ATOM 1210 CD GLU A 76 -3.127 -10.216 -8.173 1.00 2.70 C ATOM 1211 OE1 GLU A 76 -3.260 -10.419 -6.978 1.00 3.01 O ATOM 1212 OE2 GLU A 76 -3.774 -10.731 -9.065 1.00 3.80 O ATOM 0 H GLU A 76 -0.866 -6.162 -5.938 1.00 1.17 H new ATOM 0 HA GLU A 76 0.115 -7.608 -8.419 1.00 1.37 H new ATOM 0 HB2 GLU A 76 -1.125 -9.017 -6.698 1.00 1.48 H new ATOM 0 HB3 GLU A 76 -2.485 -7.922 -6.854 1.00 1.48 H new ATOM 0 HG2 GLU A 76 -2.603 -8.455 -9.319 1.00 2.12 H new ATOM 0 HG3 GLU A 76 -1.283 -9.590 -9.120 1.00 2.12 H new ATOM 1219 N VAL A 77 -1.762 -6.391 -9.808 1.00 1.85 N ATOM 1220 CA VAL A 77 -2.433 -5.342 -10.652 1.00 2.11 C ATOM 1221 C VAL A 77 -3.850 -5.784 -11.081 1.00 2.53 C ATOM 1222 O VAL A 77 -4.303 -6.861 -10.731 1.00 3.61 O ATOM 1223 CB VAL A 77 -1.517 -5.114 -11.883 1.00 2.41 C ATOM 1224 CG1 VAL A 77 -1.999 -3.940 -12.756 1.00 2.72 C ATOM 1225 CG2 VAL A 77 -0.094 -4.803 -11.396 1.00 2.40 C ATOM 0 H VAL A 77 -1.635 -7.296 -10.260 1.00 1.85 H new ATOM 0 HA VAL A 77 -2.565 -4.418 -10.089 1.00 2.11 H new ATOM 0 HB VAL A 77 -1.543 -6.021 -12.487 1.00 2.41 H new ATOM 0 HG11 VAL A 77 -1.327 -3.818 -13.605 1.00 2.72 H new ATOM 0 HG12 VAL A 77 -3.007 -4.145 -13.117 1.00 2.72 H new ATOM 0 HG13 VAL A 77 -2.005 -3.025 -12.164 1.00 2.72 H new ATOM 0 HG21 VAL A 77 0.557 -4.641 -12.255 1.00 2.40 H new ATOM 0 HG22 VAL A 77 -0.109 -3.905 -10.778 1.00 2.40 H new ATOM 0 HG23 VAL A 77 0.281 -5.641 -10.809 1.00 2.40 H new ATOM 1235 N LEU A 78 -4.535 -4.904 -11.778 1.00 2.47 N ATOM 1236 CA LEU A 78 -5.914 -5.212 -12.287 1.00 2.93 C ATOM 1237 C LEU A 78 -5.867 -5.348 -13.818 1.00 3.06 C ATOM 1238 O LEU A 78 -6.758 -4.927 -14.533 1.00 3.82 O ATOM 1239 CB LEU A 78 -6.885 -4.077 -11.910 1.00 3.17 C ATOM 1240 CG LEU A 78 -7.176 -4.086 -10.399 1.00 3.28 C ATOM 1241 CD1 LEU A 78 -8.045 -2.869 -10.050 1.00 3.83 C ATOM 1242 CD2 LEU A 78 -7.941 -5.363 -10.012 1.00 3.68 C ATOM 0 H LEU A 78 -4.193 -3.974 -12.019 1.00 2.47 H new ATOM 0 HA LEU A 78 -6.261 -6.142 -11.838 1.00 2.93 H new ATOM 0 HB2 LEU A 78 -6.457 -3.116 -12.197 1.00 3.17 H new ATOM 0 HB3 LEU A 78 -7.816 -4.190 -12.465 1.00 3.17 H new ATOM 0 HG LEU A 78 -6.232 -4.052 -9.856 1.00 3.28 H new ATOM 0 HD11 LEU A 78 -8.256 -2.867 -8.981 1.00 3.83 H new ATOM 0 HD12 LEU A 78 -7.515 -1.955 -10.317 1.00 3.83 H new ATOM 0 HD13 LEU A 78 -8.982 -2.920 -10.605 1.00 3.83 H new ATOM 0 HD21 LEU A 78 -8.141 -5.357 -8.940 1.00 3.68 H new ATOM 0 HD22 LEU A 78 -8.884 -5.401 -10.557 1.00 3.68 H new ATOM 0 HD23 LEU A 78 -7.341 -6.237 -10.264 1.00 3.68 H new ATOM 1254 N ILE A 79 -4.803 -5.947 -14.273 1.00 3.01 N ATOM 1255 CA ILE A 79 -4.604 -6.180 -15.730 1.00 3.53 C ATOM 1256 C ILE A 79 -4.064 -7.599 -15.904 1.00 4.62 C ATOM 1257 O ILE A 79 -2.869 -7.817 -15.856 1.00 5.28 O ATOM 1258 CB ILE A 79 -3.599 -5.166 -16.309 1.00 4.17 C ATOM 1259 CG1 ILE A 79 -4.134 -3.739 -16.090 1.00 4.98 C ATOM 1260 CG2 ILE A 79 -3.422 -5.433 -17.817 1.00 4.77 C ATOM 1261 CD1 ILE A 79 -3.157 -2.710 -16.677 1.00 6.25 C ATOM 0 H ILE A 79 -4.046 -6.292 -13.683 1.00 3.01 H new ATOM 0 HA ILE A 79 -5.549 -6.057 -16.260 1.00 3.53 H new ATOM 0 HB ILE A 79 -2.636 -5.270 -15.808 1.00 4.17 H new ATOM 0 HG12 ILE A 79 -5.111 -3.633 -16.561 1.00 4.98 H new ATOM 0 HG13 ILE A 79 -4.272 -3.554 -15.025 1.00 4.98 H new ATOM 0 HG21 ILE A 79 -2.712 -4.718 -18.232 1.00 4.77 H new ATOM 0 HG22 ILE A 79 -3.047 -6.446 -17.966 1.00 4.77 H new ATOM 0 HG23 ILE A 79 -4.382 -5.324 -18.321 1.00 4.77 H new ATOM 0 HD11 ILE A 79 -3.547 -1.705 -16.516 1.00 6.25 H new ATOM 0 HD12 ILE A 79 -2.188 -2.807 -16.186 1.00 6.25 H new ATOM 0 HD13 ILE A 79 -3.041 -2.887 -17.746 1.00 6.25 H new ATOM 1273 N ASN A 80 -4.953 -8.543 -16.019 1.00 5.56 N ATOM 1274 CA ASN A 80 -4.502 -9.956 -16.215 1.00 7.23 C ATOM 1275 C ASN A 80 -4.618 -10.274 -17.709 1.00 8.38 C ATOM 1276 O ASN A 80 -4.089 -11.257 -18.187 1.00 9.67 O ATOM 1277 CB ASN A 80 -5.392 -10.893 -15.382 1.00 8.11 C ATOM 1278 CG ASN A 80 -4.724 -12.263 -15.170 1.00 9.31 C ATOM 1279 OD1 ASN A 80 -5.089 -12.990 -14.272 1.00 10.24 O ATOM 1280 ND2 ASN A 80 -3.763 -12.668 -15.948 1.00 9.67 N ATOM 0 H ASN A 80 -5.963 -8.405 -15.987 1.00 5.56 H new ATOM 0 HA ASN A 80 -3.471 -10.093 -15.889 1.00 7.23 H new ATOM 0 HB2 ASN A 80 -5.600 -10.435 -14.415 1.00 8.11 H new ATOM 0 HB3 ASN A 80 -6.350 -11.028 -15.884 1.00 8.11 H new ATOM 0 HD21 ASN A 80 -3.334 -13.580 -15.795 1.00 9.67 H new ATOM 0 HD22 ASN A 80 -3.439 -12.073 -16.711 1.00 9.67 H new ATOM 1287 N ASN A 81 -5.321 -9.413 -18.398 1.00 8.32 N ATOM 1288 CA ASN A 81 -5.515 -9.568 -19.866 1.00 9.86 C ATOM 1289 C ASN A 81 -5.278 -8.216 -20.554 1.00 10.02 C ATOM 1290 O ASN A 81 -5.272 -8.219 -21.769 1.00 10.91 O ATOM 1291 CB ASN A 81 -6.938 -10.083 -20.159 1.00 10.77 C ATOM 1292 CG ASN A 81 -8.037 -9.194 -19.553 1.00 11.06 C ATOM 1293 OD1 ASN A 81 -9.161 -9.625 -19.397 1.00 12.08 O ATOM 1294 ND2 ASN A 81 -7.800 -7.956 -19.231 1.00 10.59 N ATOM 1295 OXT ASN A 81 -5.109 -7.224 -19.813 1.00 9.67 O ATOM 0 H ASN A 81 -5.776 -8.594 -17.995 1.00 8.32 H new ATOM 0 HA ASN A 81 -4.802 -10.295 -20.255 1.00 9.86 H new ATOM 0 HB2 ASN A 81 -7.081 -10.143 -21.238 1.00 10.77 H new ATOM 0 HB3 ASN A 81 -7.040 -11.095 -19.767 1.00 10.77 H new ATOM 0 HD21 ASN A 81 -8.550 -7.374 -18.858 1.00 10.59 H new ATOM 0 HD22 ASN A 81 -6.865 -7.568 -19.352 1.00 10.59 H new TER 1302 ASN A 81