USER MOD reduce.3.24.130724 H: found=0, std=0, add=458, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 457 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 23 ASN : amide:sc= 0.3 K(o=-13,f=-15!) USER MOD Set 1.2: A 26 GLN : amide:sc= -9.12! C(o=-13!,f=-7.4!) USER MOD Set 1.3: A 55 GLN : amide:sc= -3.68! C(o=-13!,f=-12!) USER MOD Set 2.1: A 21 ASN : amide:sc= -3.76! C(o=-4.5!,f=-12!) USER MOD Set 2.2: A 52 ASN : amide:sc= -0.715 K(o=-4.5,f=-8.8!) USER MOD Set 3.1: A 32 GLN : amide:sc= -0.196 K(o=-2.2,f=-9.4!) USER MOD Set 3.2: A 35 LYS NZ :NH3+ -159:sc= -2.02 (180deg=-4.01!) USER MOD Set 4.1: A 4 LYS NZ :NH3+ 176:sc= 1.88 (180deg=0.911) USER MOD Set 4.2: A 6 ASN : amide:sc= -2.53! K(o=-0.34!,f=-3.4) USER MOD Set 4.3: A 9 GLN : amide:sc= 0.314 K(o=-0.34,f=-13!) USER MOD Single : A 1 VAL N :NH3+ -158:sc= 1.52 (180deg=0.474!) USER MOD Single : A 3 ASN : amide:sc= 0.7 K(o=0.7,f=0) USER MOD Single : A 7 LYS NZ :NH3+ -155:sc= 0.158 (180deg=-2.16!) USER MOD Single : A 10 GLN : amide:sc= -1.91! X(o=-1.9!,f=-2) USER MOD Single : A 11 ASN : amide:sc= -1.27 K(o=-1.3,f=-0.12) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 HIS : no HE2:sc= 0.676 K(o=0.68,f=-2.8!) USER MOD Single : A 28 ASN : amide:sc= -0.0814 K(o=-0.081,f=-1.7!) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 39 SER OG : rot -31:sc= 0.553 USER MOD Single : A 40 GLN : amide:sc= -0.707 X(o=-0.71,f=-0.46) USER MOD Single : A 41 SER OG : rot -130:sc= -1.3 USER MOD Single : A 43 ASN : amide:sc= -0.435 X(o=-0.43,f=0.017) USER MOD Single : A 49 LYS NZ :NH3+ 150:sc= -0.746 (180deg=-2.74!) USER MOD Single : A 50 LYS NZ :NH3+ -117:sc= 0.964 (180deg=-1.53!) USER MOD Single : A 58 LYS NZ :NH3+ -140:sc= -1.04! (180deg=-1.47!) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 8.022 -11.965 2.742 1.00 0.00 N ATOM 2 CA VAL A 1 9.238 -11.943 3.560 1.00 0.00 C ATOM 3 C VAL A 1 10.445 -11.765 2.648 1.00 0.00 C ATOM 4 O VAL A 1 11.400 -11.029 2.884 1.00 0.00 O ATOM 5 CB VAL A 1 9.302 -13.235 4.417 1.00 0.00 C ATOM 6 CG1 VAL A 1 10.606 -13.353 5.230 1.00 0.00 C ATOM 7 CG2 VAL A 1 8.116 -13.274 5.406 1.00 0.00 C ATOM 0 H1 VAL A 1 7.203 -11.713 3.331 1.00 0.00 H new ATOM 0 H2 VAL A 1 8.114 -11.280 1.965 1.00 0.00 H new ATOM 0 H3 VAL A 1 7.886 -12.918 2.349 1.00 0.00 H new ATOM 0 HA VAL A 1 9.233 -11.103 4.255 1.00 0.00 H new ATOM 0 HB VAL A 1 9.260 -14.068 3.715 1.00 0.00 H new ATOM 0 HG11 VAL A 1 10.592 -14.277 5.809 1.00 0.00 H new ATOM 0 HG12 VAL A 1 11.459 -13.363 4.551 1.00 0.00 H new ATOM 0 HG13 VAL A 1 10.691 -12.502 5.906 1.00 0.00 H new ATOM 0 HG21 VAL A 1 8.170 -14.184 6.003 1.00 0.00 H new ATOM 0 HG22 VAL A 1 8.162 -12.406 6.063 1.00 0.00 H new ATOM 0 HG23 VAL A 1 7.178 -13.259 4.850 1.00 0.00 H new ATOM 19 N ASP A 2 10.304 -12.526 1.578 1.00 0.00 N ATOM 20 CA ASP A 2 11.162 -12.642 0.424 1.00 0.00 C ATOM 21 C ASP A 2 11.141 -11.357 -0.431 1.00 0.00 C ATOM 22 O ASP A 2 10.820 -10.260 0.026 1.00 0.00 O ATOM 23 CB ASP A 2 10.572 -13.900 -0.279 1.00 0.00 C ATOM 24 CG ASP A 2 9.054 -13.750 -0.419 1.00 0.00 C ATOM 25 OD1 ASP A 2 8.620 -13.054 -1.322 1.00 0.00 O ATOM 26 OD2 ASP A 2 8.294 -14.222 0.434 1.00 0.00 O ATOM 0 H ASP A 2 9.496 -13.143 1.493 1.00 0.00 H new ATOM 0 HA ASP A 2 12.223 -12.755 0.645 1.00 0.00 H new ATOM 0 HB2 ASP A 2 11.027 -14.026 -1.262 1.00 0.00 H new ATOM 0 HB3 ASP A 2 10.807 -14.794 0.298 1.00 0.00 H new ATOM 31 N ASN A 3 11.488 -11.481 -1.710 1.00 0.00 N ATOM 32 CA ASN A 3 11.460 -10.358 -2.650 1.00 0.00 C ATOM 33 C ASN A 3 10.470 -10.677 -3.788 1.00 0.00 C ATOM 34 O ASN A 3 10.313 -9.952 -4.769 1.00 0.00 O ATOM 35 CB ASN A 3 12.916 -10.164 -3.167 1.00 0.00 C ATOM 36 CG ASN A 3 13.215 -8.726 -3.546 1.00 0.00 C ATOM 37 OD1 ASN A 3 14.085 -8.074 -2.985 1.00 0.00 O ATOM 38 ND2 ASN A 3 12.523 -8.181 -4.520 1.00 0.00 N ATOM 0 H ASN A 3 11.796 -12.360 -2.125 1.00 0.00 H new ATOM 0 HA ASN A 3 11.120 -9.433 -2.183 1.00 0.00 H new ATOM 0 HB2 ASN A 3 13.617 -10.486 -2.397 1.00 0.00 H new ATOM 0 HB3 ASN A 3 13.078 -10.805 -4.033 1.00 0.00 H new ATOM 0 HD21 ASN A 3 12.712 -7.220 -4.804 1.00 0.00 H new ATOM 0 HD22 ASN A 3 11.796 -8.719 -4.992 1.00 0.00 H new ATOM 45 N LYS A 4 9.749 -11.786 -3.634 1.00 0.00 N ATOM 46 CA LYS A 4 8.804 -12.286 -4.615 1.00 0.00 C ATOM 47 C LYS A 4 7.418 -11.700 -4.391 1.00 0.00 C ATOM 48 O LYS A 4 6.799 -11.890 -3.345 1.00 0.00 O ATOM 49 CB LYS A 4 8.852 -13.830 -4.491 1.00 0.00 C ATOM 50 CG LYS A 4 7.710 -14.644 -5.141 1.00 0.00 C ATOM 51 CD LYS A 4 6.428 -14.796 -4.281 1.00 0.00 C ATOM 52 CE LYS A 4 6.681 -15.316 -2.844 1.00 0.00 C ATOM 53 NZ LYS A 4 6.350 -14.268 -1.895 1.00 0.00 N ATOM 0 H LYS A 4 9.812 -12.372 -2.801 1.00 0.00 H new ATOM 0 HA LYS A 4 9.061 -11.986 -5.631 1.00 0.00 H new ATOM 0 HB2 LYS A 4 9.793 -14.171 -4.922 1.00 0.00 H new ATOM 0 HB3 LYS A 4 8.879 -14.080 -3.430 1.00 0.00 H new ATOM 0 HG2 LYS A 4 7.440 -14.170 -6.084 1.00 0.00 H new ATOM 0 HG3 LYS A 4 8.086 -15.639 -5.381 1.00 0.00 H new ATOM 0 HD2 LYS A 4 5.928 -13.829 -4.222 1.00 0.00 H new ATOM 0 HD3 LYS A 4 5.745 -15.478 -4.786 1.00 0.00 H new ATOM 0 HE2 LYS A 4 6.075 -16.202 -2.652 1.00 0.00 H new ATOM 0 HE3 LYS A 4 7.724 -15.612 -2.729 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 6.453 -14.632 -0.926 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 6.991 -13.461 -2.031 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 5.368 -13.960 -2.047 1.00 0.00 H new ATOM 67 N PHE A 5 6.886 -10.951 -5.356 1.00 0.00 N ATOM 68 CA PHE A 5 5.540 -10.401 -5.222 1.00 0.00 C ATOM 69 C PHE A 5 4.502 -11.250 -5.954 1.00 0.00 C ATOM 70 O PHE A 5 4.412 -11.280 -7.189 1.00 0.00 O ATOM 71 CB PHE A 5 5.489 -8.924 -5.657 1.00 0.00 C ATOM 72 CG PHE A 5 6.124 -7.899 -4.731 1.00 0.00 C ATOM 73 CD1 PHE A 5 7.511 -7.844 -4.485 1.00 0.00 C ATOM 74 CD2 PHE A 5 5.271 -6.970 -4.099 1.00 0.00 C ATOM 75 CE1 PHE A 5 8.034 -6.869 -3.615 1.00 0.00 C ATOM 76 CE2 PHE A 5 5.793 -5.996 -3.232 1.00 0.00 C ATOM 77 CZ PHE A 5 7.177 -5.946 -2.989 1.00 0.00 C ATOM 0 H PHE A 5 7.360 -10.714 -6.228 1.00 0.00 H new ATOM 0 HA PHE A 5 5.280 -10.434 -4.164 1.00 0.00 H new ATOM 0 HB2 PHE A 5 5.972 -8.843 -6.631 1.00 0.00 H new ATOM 0 HB3 PHE A 5 4.443 -8.650 -5.796 1.00 0.00 H new ATOM 0 HD1 PHE A 5 8.173 -8.550 -4.964 1.00 0.00 H new ATOM 0 HD2 PHE A 5 4.208 -7.008 -4.283 1.00 0.00 H new ATOM 0 HE1 PHE A 5 9.097 -6.829 -3.427 1.00 0.00 H new ATOM 0 HE2 PHE A 5 5.133 -5.288 -2.753 1.00 0.00 H new ATOM 0 HZ PHE A 5 7.582 -5.199 -2.322 1.00 0.00 H new ATOM 87 N ASN A 6 3.701 -11.956 -5.152 1.00 0.00 N ATOM 88 CA ASN A 6 2.623 -12.792 -5.678 1.00 0.00 C ATOM 89 C ASN A 6 1.362 -11.975 -5.997 1.00 0.00 C ATOM 90 O ASN A 6 1.281 -10.783 -5.698 1.00 0.00 O ATOM 91 CB ASN A 6 2.353 -14.016 -4.730 1.00 0.00 C ATOM 92 CG ASN A 6 2.599 -13.732 -3.260 1.00 0.00 C ATOM 93 OD1 ASN A 6 3.577 -14.186 -2.661 1.00 0.00 O ATOM 94 ND2 ASN A 6 1.748 -12.952 -2.633 1.00 0.00 N ATOM 0 H ASN A 6 3.780 -11.964 -4.135 1.00 0.00 H new ATOM 0 HA ASN A 6 2.946 -13.203 -6.634 1.00 0.00 H new ATOM 0 HB2 ASN A 6 1.320 -14.339 -4.858 1.00 0.00 H new ATOM 0 HB3 ASN A 6 2.987 -14.847 -5.039 1.00 0.00 H new ATOM 0 HD21 ASN A 6 1.896 -12.722 -1.650 1.00 0.00 H new ATOM 0 HD22 ASN A 6 0.939 -12.577 -3.129 1.00 0.00 H new ATOM 101 N LYS A 7 0.332 -12.583 -6.587 1.00 0.00 N ATOM 102 CA LYS A 7 -0.899 -11.902 -7.001 1.00 0.00 C ATOM 103 C LYS A 7 -1.494 -10.811 -6.096 1.00 0.00 C ATOM 104 O LYS A 7 -1.663 -9.670 -6.543 1.00 0.00 O ATOM 105 CB LYS A 7 -1.947 -12.993 -7.367 1.00 0.00 C ATOM 106 CG LYS A 7 -2.302 -14.053 -6.280 1.00 0.00 C ATOM 107 CD LYS A 7 -3.542 -13.662 -5.436 1.00 0.00 C ATOM 108 CE LYS A 7 -4.139 -14.820 -4.603 1.00 0.00 C ATOM 109 NZ LYS A 7 -3.203 -15.291 -3.592 1.00 0.00 N ATOM 0 H LYS A 7 0.328 -13.582 -6.795 1.00 0.00 H new ATOM 0 HA LYS A 7 -0.603 -11.291 -7.854 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -2.869 -12.488 -7.657 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -1.584 -13.524 -8.247 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -2.486 -15.013 -6.763 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -1.446 -14.187 -5.618 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -3.267 -12.851 -4.762 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -4.313 -13.275 -6.103 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -5.058 -14.486 -4.121 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -4.407 -15.644 -5.264 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -3.421 -16.279 -3.351 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -2.233 -15.231 -3.962 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -3.286 -14.700 -2.740 1.00 0.00 H new ATOM 123 N GLU A 8 -1.803 -11.092 -4.832 1.00 0.00 N ATOM 124 CA GLU A 8 -2.410 -10.110 -3.946 1.00 0.00 C ATOM 125 C GLU A 8 -1.476 -8.935 -3.661 1.00 0.00 C ATOM 126 O GLU A 8 -1.825 -7.749 -3.651 1.00 0.00 O ATOM 127 CB GLU A 8 -2.822 -10.834 -2.642 1.00 0.00 C ATOM 128 CG GLU A 8 -1.698 -11.628 -1.902 1.00 0.00 C ATOM 129 CD GLU A 8 -1.629 -13.105 -2.258 1.00 0.00 C ATOM 130 OE1 GLU A 8 -1.038 -13.438 -3.288 1.00 0.00 O ATOM 131 OE2 GLU A 8 -2.184 -13.928 -1.527 1.00 0.00 O ATOM 0 H GLU A 8 -1.640 -12.001 -4.399 1.00 0.00 H new ATOM 0 HA GLU A 8 -3.287 -9.680 -4.430 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -3.226 -10.093 -1.953 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -3.631 -11.526 -2.877 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -0.736 -11.168 -2.128 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -1.851 -11.533 -0.827 1.00 0.00 H new ATOM 138 N GLN A 9 -0.239 -9.326 -3.390 1.00 0.00 N ATOM 139 CA GLN A 9 0.893 -8.497 -3.122 1.00 0.00 C ATOM 140 C GLN A 9 1.076 -7.475 -4.252 1.00 0.00 C ATOM 141 O GLN A 9 1.291 -6.282 -4.053 1.00 0.00 O ATOM 142 CB GLN A 9 1.938 -9.553 -3.006 1.00 0.00 C ATOM 143 CG GLN A 9 2.922 -9.210 -1.965 1.00 0.00 C ATOM 144 CD GLN A 9 4.018 -10.232 -1.820 1.00 0.00 C ATOM 145 OE1 GLN A 9 4.003 -11.333 -2.356 1.00 0.00 O ATOM 146 NE2 GLN A 9 5.007 -9.841 -1.063 1.00 0.00 N ATOM 0 H GLN A 9 0.002 -10.316 -3.353 1.00 0.00 H new ATOM 0 HA GLN A 9 0.864 -7.851 -2.245 1.00 0.00 H new ATOM 0 HB2 GLN A 9 1.470 -10.508 -2.768 1.00 0.00 H new ATOM 0 HB3 GLN A 9 2.444 -9.676 -3.964 1.00 0.00 H new ATOM 0 HG2 GLN A 9 3.366 -8.242 -2.199 1.00 0.00 H new ATOM 0 HG3 GLN A 9 2.407 -9.102 -1.010 1.00 0.00 H new ATOM 0 HE21 GLN A 9 4.985 -8.916 -0.633 1.00 0.00 H new ATOM 0 HE22 GLN A 9 5.802 -10.460 -0.902 1.00 0.00 H new ATOM 155 N GLN A 10 0.969 -7.971 -5.487 1.00 0.00 N ATOM 156 CA GLN A 10 1.092 -7.163 -6.683 1.00 0.00 C ATOM 157 C GLN A 10 -0.081 -6.224 -6.872 1.00 0.00 C ATOM 158 O GLN A 10 0.141 -5.033 -7.086 1.00 0.00 O ATOM 159 CB GLN A 10 1.208 -8.092 -7.913 1.00 0.00 C ATOM 160 CG GLN A 10 2.526 -8.893 -7.944 1.00 0.00 C ATOM 161 CD GLN A 10 3.723 -8.054 -8.338 1.00 0.00 C ATOM 162 OE1 GLN A 10 3.728 -6.832 -8.442 1.00 0.00 O ATOM 163 NE2 GLN A 10 4.806 -8.758 -8.567 1.00 0.00 N ATOM 0 H GLN A 10 0.792 -8.957 -5.677 1.00 0.00 H new ATOM 0 HA GLN A 10 1.986 -6.549 -6.575 1.00 0.00 H new ATOM 0 HB2 GLN A 10 0.368 -8.786 -7.917 1.00 0.00 H new ATOM 0 HB3 GLN A 10 1.132 -7.494 -8.821 1.00 0.00 H new ATOM 0 HG2 GLN A 10 2.703 -9.328 -6.960 1.00 0.00 H new ATOM 0 HG3 GLN A 10 2.424 -9.721 -8.645 1.00 0.00 H new ATOM 0 HE21 GLN A 10 4.783 -9.774 -8.476 1.00 0.00 H new ATOM 0 HE22 GLN A 10 5.671 -8.290 -8.837 1.00 0.00 H new ATOM 172 N ASN A 11 -1.332 -6.691 -6.792 1.00 0.00 N ATOM 173 CA ASN A 11 -2.464 -5.758 -6.936 1.00 0.00 C ATOM 174 C ASN A 11 -2.279 -4.575 -5.976 1.00 0.00 C ATOM 175 O ASN A 11 -2.442 -3.400 -6.332 1.00 0.00 O ATOM 176 CB ASN A 11 -3.834 -6.452 -6.717 1.00 0.00 C ATOM 177 CG ASN A 11 -4.988 -5.598 -7.250 1.00 0.00 C ATOM 178 OD1 ASN A 11 -5.799 -6.046 -8.050 1.00 0.00 O ATOM 179 ND2 ASN A 11 -5.127 -4.345 -6.860 1.00 0.00 N ATOM 0 H ASN A 11 -1.585 -7.667 -6.635 1.00 0.00 H new ATOM 0 HA ASN A 11 -2.470 -5.391 -7.962 1.00 0.00 H new ATOM 0 HB2 ASN A 11 -3.836 -7.421 -7.217 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -3.981 -6.641 -5.654 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -5.894 -3.780 -7.224 1.00 0.00 H new ATOM 0 HD22 ASN A 11 -4.468 -3.942 -6.194 1.00 0.00 H new ATOM 186 N ALA A 12 -1.921 -4.917 -4.735 1.00 0.00 N ATOM 187 CA ALA A 12 -1.655 -3.899 -3.737 1.00 0.00 C ATOM 188 C ALA A 12 -0.485 -3.009 -4.121 1.00 0.00 C ATOM 189 O ALA A 12 -0.554 -1.798 -3.955 1.00 0.00 O ATOM 190 CB ALA A 12 -1.383 -4.580 -2.407 1.00 0.00 C ATOM 0 H ALA A 12 -1.812 -5.877 -4.409 1.00 0.00 H new ATOM 0 HA ALA A 12 -2.530 -3.254 -3.662 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -1.181 -3.826 -1.647 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -2.254 -5.167 -2.114 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -0.519 -5.237 -2.505 1.00 0.00 H new ATOM 196 N PHE A 13 0.597 -3.577 -4.642 1.00 0.00 N ATOM 197 CA PHE A 13 1.744 -2.802 -5.083 1.00 0.00 C ATOM 198 C PHE A 13 1.386 -1.767 -6.144 1.00 0.00 C ATOM 199 O PHE A 13 1.697 -0.581 -6.050 1.00 0.00 O ATOM 200 CB PHE A 13 2.807 -3.789 -5.579 1.00 0.00 C ATOM 201 CG PHE A 13 4.154 -3.156 -5.873 1.00 0.00 C ATOM 202 CD1 PHE A 13 5.012 -2.834 -4.802 1.00 0.00 C ATOM 203 CD2 PHE A 13 4.558 -2.890 -7.196 1.00 0.00 C ATOM 204 CE1 PHE A 13 6.264 -2.250 -5.057 1.00 0.00 C ATOM 205 CE2 PHE A 13 5.811 -2.305 -7.446 1.00 0.00 C ATOM 206 CZ PHE A 13 6.665 -1.984 -6.377 1.00 0.00 C ATOM 0 H PHE A 13 0.701 -4.584 -4.769 1.00 0.00 H new ATOM 0 HA PHE A 13 2.131 -2.220 -4.247 1.00 0.00 H new ATOM 0 HB2 PHE A 13 2.940 -4.569 -4.829 1.00 0.00 H new ATOM 0 HB3 PHE A 13 2.441 -4.275 -6.483 1.00 0.00 H new ATOM 0 HD1 PHE A 13 4.707 -3.036 -3.786 1.00 0.00 H new ATOM 0 HD2 PHE A 13 3.904 -3.136 -8.019 1.00 0.00 H new ATOM 0 HE1 PHE A 13 6.921 -2.005 -4.235 1.00 0.00 H new ATOM 0 HE2 PHE A 13 6.118 -2.102 -8.461 1.00 0.00 H new ATOM 0 HZ PHE A 13 7.628 -1.534 -6.570 1.00 0.00 H new ATOM 216 N TYR A 14 0.713 -2.235 -7.182 1.00 0.00 N ATOM 217 CA TYR A 14 0.251 -1.366 -8.257 1.00 0.00 C ATOM 218 C TYR A 14 -0.642 -0.240 -7.755 1.00 0.00 C ATOM 219 O TYR A 14 -0.408 0.941 -8.036 1.00 0.00 O ATOM 220 CB TYR A 14 -0.512 -2.237 -9.299 1.00 0.00 C ATOM 221 CG TYR A 14 0.527 -3.061 -10.068 1.00 0.00 C ATOM 222 CD1 TYR A 14 1.454 -2.373 -10.884 1.00 0.00 C ATOM 223 CD2 TYR A 14 0.603 -4.467 -9.995 1.00 0.00 C ATOM 224 CE1 TYR A 14 2.439 -3.065 -11.611 1.00 0.00 C ATOM 225 CE2 TYR A 14 1.582 -5.174 -10.716 1.00 0.00 C ATOM 226 CZ TYR A 14 2.500 -4.471 -11.521 1.00 0.00 C ATOM 227 OH TYR A 14 3.439 -5.169 -12.207 1.00 0.00 O ATOM 0 H TYR A 14 0.472 -3.218 -7.305 1.00 0.00 H new ATOM 0 HA TYR A 14 1.120 -0.891 -8.713 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -1.226 -2.892 -8.800 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -1.081 -1.606 -9.982 1.00 0.00 H new ATOM 0 HD1 TYR A 14 1.405 -1.296 -10.950 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -0.099 -5.008 -9.378 1.00 0.00 H new ATOM 0 HE1 TYR A 14 3.140 -2.526 -12.231 1.00 0.00 H new ATOM 0 HE2 TYR A 14 1.630 -6.251 -10.653 1.00 0.00 H new ATOM 0 HH TYR A 14 3.333 -6.126 -12.025 1.00 0.00 H new ATOM 237 N GLU A 15 -1.683 -0.575 -6.986 1.00 0.00 N ATOM 238 CA GLU A 15 -2.542 0.468 -6.442 1.00 0.00 C ATOM 239 C GLU A 15 -1.712 1.418 -5.574 1.00 0.00 C ATOM 240 O GLU A 15 -1.898 2.631 -5.591 1.00 0.00 O ATOM 241 CB GLU A 15 -3.719 -0.164 -5.686 1.00 0.00 C ATOM 242 CG GLU A 15 -5.031 0.664 -5.800 1.00 0.00 C ATOM 243 CD GLU A 15 -4.923 2.048 -5.164 1.00 0.00 C ATOM 244 OE1 GLU A 15 -4.758 2.132 -3.950 1.00 0.00 O ATOM 245 OE2 GLU A 15 -5.026 3.044 -5.882 1.00 0.00 O ATOM 0 H GLU A 15 -1.942 -1.529 -6.735 1.00 0.00 H new ATOM 0 HA GLU A 15 -2.971 1.064 -7.248 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -3.895 -1.168 -6.073 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -3.453 -0.270 -4.634 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -5.294 0.774 -6.852 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -5.843 0.114 -5.324 1.00 0.00 H new ATOM 252 N ILE A 16 -0.748 0.878 -4.821 1.00 0.00 N ATOM 253 CA ILE A 16 0.153 1.665 -3.982 1.00 0.00 C ATOM 254 C ILE A 16 0.851 2.697 -4.847 1.00 0.00 C ATOM 255 O ILE A 16 0.845 3.884 -4.530 1.00 0.00 O ATOM 256 CB ILE A 16 1.118 0.710 -3.238 1.00 0.00 C ATOM 257 CG1 ILE A 16 0.544 0.461 -1.829 1.00 0.00 C ATOM 258 CG2 ILE A 16 2.591 1.174 -3.183 1.00 0.00 C ATOM 259 CD1 ILE A 16 1.322 -0.605 -1.051 1.00 0.00 C ATOM 0 H ILE A 16 -0.572 -0.126 -4.778 1.00 0.00 H new ATOM 0 HA ILE A 16 -0.388 2.216 -3.213 1.00 0.00 H new ATOM 0 HB ILE A 16 1.170 -0.215 -3.812 1.00 0.00 H new ATOM 0 HG12 ILE A 16 0.555 1.395 -1.267 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -0.498 0.153 -1.915 1.00 0.00 H new ATOM 0 HG21 ILE A 16 3.185 0.437 -2.641 1.00 0.00 H new ATOM 0 HG22 ILE A 16 2.978 1.277 -4.197 1.00 0.00 H new ATOM 0 HG23 ILE A 16 2.651 2.135 -2.672 1.00 0.00 H new ATOM 0 HD11 ILE A 16 0.873 -0.738 -0.067 1.00 0.00 H new ATOM 0 HD12 ILE A 16 1.289 -1.549 -1.595 1.00 0.00 H new ATOM 0 HD13 ILE A 16 2.359 -0.288 -0.937 1.00 0.00 H new ATOM 271 N LEU A 17 1.462 2.273 -5.956 1.00 0.00 N ATOM 272 CA LEU A 17 2.107 3.197 -6.884 1.00 0.00 C ATOM 273 C LEU A 17 1.119 4.300 -7.283 1.00 0.00 C ATOM 274 O LEU A 17 1.421 5.490 -7.288 1.00 0.00 O ATOM 275 CB LEU A 17 2.555 2.431 -8.147 1.00 0.00 C ATOM 276 CG LEU A 17 3.735 1.478 -7.924 1.00 0.00 C ATOM 277 CD1 LEU A 17 3.894 0.607 -9.172 1.00 0.00 C ATOM 278 CD2 LEU A 17 5.047 2.234 -7.670 1.00 0.00 C ATOM 0 H LEU A 17 1.522 1.293 -6.231 1.00 0.00 H new ATOM 0 HA LEU A 17 2.976 3.644 -6.401 1.00 0.00 H new ATOM 0 HB2 LEU A 17 1.709 1.859 -8.530 1.00 0.00 H new ATOM 0 HB3 LEU A 17 2.827 3.152 -8.917 1.00 0.00 H new ATOM 0 HG LEU A 17 3.526 0.874 -7.041 1.00 0.00 H new ATOM 0 HD11 LEU A 17 4.730 -0.079 -9.033 1.00 0.00 H new ATOM 0 HD12 LEU A 17 2.980 0.037 -9.336 1.00 0.00 H new ATOM 0 HD13 LEU A 17 4.086 1.242 -10.037 1.00 0.00 H new ATOM 0 HD21 LEU A 17 5.855 1.519 -7.517 1.00 0.00 H new ATOM 0 HD22 LEU A 17 5.277 2.863 -8.530 1.00 0.00 H new ATOM 0 HD23 LEU A 17 4.942 2.857 -6.782 1.00 0.00 H new ATOM 290 N HIS A 18 -0.107 3.880 -7.595 1.00 0.00 N ATOM 291 CA HIS A 18 -1.201 4.770 -7.974 1.00 0.00 C ATOM 292 C HIS A 18 -1.736 5.728 -6.891 1.00 0.00 C ATOM 293 O HIS A 18 -2.461 6.657 -7.246 1.00 0.00 O ATOM 294 CB HIS A 18 -2.317 3.825 -8.499 1.00 0.00 C ATOM 295 CG HIS A 18 -3.580 4.563 -8.906 1.00 0.00 C ATOM 296 ND1 HIS A 18 -4.634 4.757 -8.134 1.00 0.00 N ATOM 297 CD2 HIS A 18 -3.789 5.226 -10.090 1.00 0.00 C ATOM 298 CE1 HIS A 18 -5.454 5.533 -8.800 1.00 0.00 C ATOM 299 NE2 HIS A 18 -4.951 5.815 -9.978 1.00 0.00 N ATOM 0 H HIS A 18 -0.371 2.895 -7.591 1.00 0.00 H new ATOM 0 HA HIS A 18 -0.826 5.477 -8.714 1.00 0.00 H new ATOM 0 HB2 HIS A 18 -1.938 3.266 -9.355 1.00 0.00 H new ATOM 0 HB3 HIS A 18 -2.562 3.097 -7.726 1.00 0.00 H new ATOM 0 HD1 HIS A 18 -4.781 4.376 -7.199 1.00 0.00 H new ATOM 0 HD2 HIS A 18 -3.127 5.255 -10.943 1.00 0.00 H new ATOM 0 HE1 HIS A 18 -6.405 5.888 -8.432 1.00 0.00 H new ATOM 307 N LEU A 19 -1.434 5.624 -5.588 1.00 0.00 N ATOM 308 CA LEU A 19 -2.007 6.523 -4.568 1.00 0.00 C ATOM 309 C LEU A 19 -1.702 8.037 -4.709 1.00 0.00 C ATOM 310 O LEU A 19 -0.630 8.504 -4.307 1.00 0.00 O ATOM 311 CB LEU A 19 -1.618 5.969 -3.181 1.00 0.00 C ATOM 312 CG LEU A 19 -2.249 4.628 -2.854 1.00 0.00 C ATOM 313 CD1 LEU A 19 -1.580 3.908 -1.676 1.00 0.00 C ATOM 314 CD2 LEU A 19 -3.749 4.773 -2.584 1.00 0.00 C ATOM 0 H LEU A 19 -0.794 4.924 -5.212 1.00 0.00 H new ATOM 0 HA LEU A 19 -3.087 6.513 -4.718 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -0.534 5.871 -3.131 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -1.908 6.691 -2.418 1.00 0.00 H new ATOM 0 HG LEU A 19 -2.094 4.010 -3.739 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -2.082 2.957 -1.498 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -0.531 3.726 -1.909 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -1.651 4.528 -0.783 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -4.173 3.796 -2.353 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -3.903 5.445 -1.740 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -4.240 5.182 -3.467 1.00 0.00 H new ATOM 326 N PRO A 20 -2.632 8.893 -5.167 1.00 0.00 N ATOM 327 CA PRO A 20 -2.388 10.328 -5.381 1.00 0.00 C ATOM 328 C PRO A 20 -2.035 11.226 -4.189 1.00 0.00 C ATOM 329 O PRO A 20 -0.954 11.812 -4.168 1.00 0.00 O ATOM 330 CB PRO A 20 -3.666 10.784 -6.098 1.00 0.00 C ATOM 331 CG PRO A 20 -4.726 9.885 -5.494 1.00 0.00 C ATOM 332 CD PRO A 20 -4.021 8.534 -5.460 1.00 0.00 C ATOM 0 HA PRO A 20 -1.455 10.440 -5.934 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -3.878 11.838 -5.917 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -3.593 10.655 -7.178 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -5.021 10.216 -4.498 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -5.631 9.857 -6.101 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -4.439 7.880 -4.694 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -4.110 8.009 -6.411 1.00 0.00 H new ATOM 340 N ASN A 21 -2.861 11.379 -3.152 1.00 0.00 N ATOM 341 CA ASN A 21 -2.572 12.270 -2.034 1.00 0.00 C ATOM 342 C ASN A 21 -1.777 11.597 -0.923 1.00 0.00 C ATOM 343 O ASN A 21 -1.828 11.945 0.255 1.00 0.00 O ATOM 344 CB ASN A 21 -3.890 12.967 -1.522 1.00 0.00 C ATOM 345 CG ASN A 21 -5.157 12.121 -1.554 1.00 0.00 C ATOM 346 OD1 ASN A 21 -5.497 11.520 -2.563 1.00 0.00 O ATOM 347 ND2 ASN A 21 -5.967 12.063 -0.510 1.00 0.00 N ATOM 0 H ASN A 21 -3.750 10.886 -3.067 1.00 0.00 H new ATOM 0 HA ASN A 21 -1.913 13.055 -2.404 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -3.726 13.298 -0.497 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -4.060 13.861 -2.123 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -6.836 11.532 -0.567 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -5.723 12.550 0.353 1.00 0.00 H new ATOM 354 N LEU A 22 -1.018 10.603 -1.348 1.00 0.00 N ATOM 355 CA LEU A 22 -0.142 9.852 -0.472 1.00 0.00 C ATOM 356 C LEU A 22 1.334 10.238 -0.583 1.00 0.00 C ATOM 357 O LEU A 22 1.849 10.434 -1.684 1.00 0.00 O ATOM 358 CB LEU A 22 -0.371 8.401 -0.842 1.00 0.00 C ATOM 359 CG LEU A 22 0.363 7.466 0.090 1.00 0.00 C ATOM 360 CD1 LEU A 22 -0.560 6.295 0.364 1.00 0.00 C ATOM 361 CD2 LEU A 22 1.679 6.952 -0.475 1.00 0.00 C ATOM 0 H LEU A 22 -0.993 10.293 -2.319 1.00 0.00 H new ATOM 0 HA LEU A 22 -0.379 10.064 0.571 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -1.438 8.182 -0.812 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -0.039 8.229 -1.866 1.00 0.00 H new ATOM 0 HG LEU A 22 0.621 8.016 0.995 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -0.067 5.593 1.036 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -1.478 6.656 0.827 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -0.799 5.793 -0.574 1.00 0.00 H new ATOM 0 HD21 LEU A 22 2.150 6.287 0.248 1.00 0.00 H new ATOM 0 HD22 LEU A 22 1.490 6.407 -1.400 1.00 0.00 H new ATOM 0 HD23 LEU A 22 2.341 7.794 -0.679 1.00 0.00 H new ATOM 373 N ASN A 23 2.045 10.354 0.545 1.00 0.00 N ATOM 374 CA ASN A 23 3.480 10.669 0.512 1.00 0.00 C ATOM 375 C ASN A 23 4.360 9.421 0.379 1.00 0.00 C ATOM 376 O ASN A 23 4.024 8.322 0.827 1.00 0.00 O ATOM 377 CB ASN A 23 3.921 11.538 1.721 1.00 0.00 C ATOM 378 CG ASN A 23 3.936 10.797 3.046 1.00 0.00 C ATOM 379 OD1 ASN A 23 4.558 9.760 3.218 1.00 0.00 O ATOM 380 ND2 ASN A 23 3.260 11.313 4.051 1.00 0.00 N ATOM 0 H ASN A 23 1.657 10.236 1.481 1.00 0.00 H new ATOM 0 HA ASN A 23 3.630 11.262 -0.391 1.00 0.00 H new ATOM 0 HB2 ASN A 23 4.918 11.932 1.526 1.00 0.00 H new ATOM 0 HB3 ASN A 23 3.251 12.393 1.803 1.00 0.00 H new ATOM 0 HD21 ASN A 23 3.260 10.847 4.958 1.00 0.00 H new ATOM 0 HD22 ASN A 23 2.736 12.179 3.922 1.00 0.00 H new ATOM 387 N GLU A 24 5.527 9.606 -0.239 1.00 0.00 N ATOM 388 CA GLU A 24 6.445 8.515 -0.489 1.00 0.00 C ATOM 389 C GLU A 24 7.001 7.827 0.741 1.00 0.00 C ATOM 390 O GLU A 24 7.320 6.644 0.678 1.00 0.00 O ATOM 391 CB GLU A 24 7.543 8.980 -1.468 1.00 0.00 C ATOM 392 CG GLU A 24 6.917 9.534 -2.791 1.00 0.00 C ATOM 393 CD GLU A 24 5.725 8.714 -3.252 1.00 0.00 C ATOM 394 OE1 GLU A 24 4.623 9.005 -2.812 1.00 0.00 O ATOM 395 OE2 GLU A 24 5.878 7.745 -3.991 1.00 0.00 O ATOM 0 H GLU A 24 5.853 10.512 -0.575 1.00 0.00 H new ATOM 0 HA GLU A 24 5.858 7.721 -0.951 1.00 0.00 H new ATOM 0 HB2 GLU A 24 8.151 9.753 -0.998 1.00 0.00 H new ATOM 0 HB3 GLU A 24 8.208 8.147 -1.697 1.00 0.00 H new ATOM 0 HG2 GLU A 24 6.607 10.568 -2.639 1.00 0.00 H new ATOM 0 HG3 GLU A 24 7.675 9.541 -3.574 1.00 0.00 H new ATOM 402 N GLU A 25 7.151 8.493 1.877 1.00 0.00 N ATOM 403 CA GLU A 25 7.626 7.865 3.103 1.00 0.00 C ATOM 404 C GLU A 25 6.684 6.720 3.489 1.00 0.00 C ATOM 405 O GLU A 25 7.055 5.570 3.732 1.00 0.00 O ATOM 406 CB GLU A 25 7.660 8.947 4.213 1.00 0.00 C ATOM 407 CG GLU A 25 8.337 10.281 3.774 1.00 0.00 C ATOM 408 CD GLU A 25 7.362 11.276 3.146 1.00 0.00 C ATOM 409 OE1 GLU A 25 6.729 12.020 3.892 1.00 0.00 O ATOM 410 OE2 GLU A 25 7.276 11.334 1.918 1.00 0.00 O ATOM 0 H GLU A 25 6.946 9.487 1.975 1.00 0.00 H new ATOM 0 HA GLU A 25 8.625 7.450 2.966 1.00 0.00 H new ATOM 0 HB2 GLU A 25 6.640 9.157 4.533 1.00 0.00 H new ATOM 0 HB3 GLU A 25 8.190 8.549 5.078 1.00 0.00 H new ATOM 0 HG2 GLU A 25 8.809 10.743 4.641 1.00 0.00 H new ATOM 0 HG3 GLU A 25 9.130 10.060 3.060 1.00 0.00 H new ATOM 417 N GLN A 26 5.402 7.078 3.521 1.00 0.00 N ATOM 418 CA GLN A 26 4.306 6.170 3.806 1.00 0.00 C ATOM 419 C GLN A 26 4.268 5.097 2.713 1.00 0.00 C ATOM 420 O GLN A 26 4.185 3.900 2.991 1.00 0.00 O ATOM 421 CB GLN A 26 3.056 7.068 3.879 1.00 0.00 C ATOM 422 CG GLN A 26 1.846 6.394 4.544 1.00 0.00 C ATOM 423 CD GLN A 26 1.019 5.600 3.554 1.00 0.00 C ATOM 424 OE1 GLN A 26 1.333 4.496 3.136 1.00 0.00 O ATOM 425 NE2 GLN A 26 -0.117 6.133 3.159 1.00 0.00 N ATOM 0 H GLN A 26 5.094 8.034 3.344 1.00 0.00 H new ATOM 0 HA GLN A 26 4.394 5.619 4.742 1.00 0.00 H new ATOM 0 HB2 GLN A 26 3.303 7.975 4.431 1.00 0.00 H new ATOM 0 HB3 GLN A 26 2.780 7.374 2.870 1.00 0.00 H new ATOM 0 HG2 GLN A 26 2.192 5.733 5.339 1.00 0.00 H new ATOM 0 HG3 GLN A 26 1.220 7.154 5.011 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -0.394 7.054 3.499 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -0.721 5.625 2.513 1.00 0.00 H new ATOM 434 N ARG A 27 4.336 5.511 1.440 1.00 0.00 N ATOM 435 CA ARG A 27 4.372 4.597 0.294 1.00 0.00 C ATOM 436 C ARG A 27 5.390 3.494 0.507 1.00 0.00 C ATOM 437 O ARG A 27 5.098 2.316 0.385 1.00 0.00 O ATOM 438 CB ARG A 27 4.775 5.379 -0.943 1.00 0.00 C ATOM 439 CG ARG A 27 4.592 4.680 -2.305 1.00 0.00 C ATOM 440 CD ARG A 27 3.284 5.072 -2.984 1.00 0.00 C ATOM 441 NE ARG A 27 3.342 6.489 -3.345 1.00 0.00 N ATOM 442 CZ ARG A 27 2.267 7.165 -3.679 1.00 0.00 C ATOM 443 NH1 ARG A 27 1.324 6.585 -4.316 1.00 0.00 N ATOM 444 NH2 ARG A 27 2.058 8.402 -3.387 1.00 0.00 N ATOM 0 H ARG A 27 4.368 6.496 1.177 1.00 0.00 H new ATOM 0 HA ARG A 27 3.384 4.152 0.178 1.00 0.00 H new ATOM 0 HB2 ARG A 27 4.202 6.306 -0.959 1.00 0.00 H new ATOM 0 HB3 ARG A 27 5.825 5.654 -0.842 1.00 0.00 H new ATOM 0 HG2 ARG A 27 5.428 4.934 -2.957 1.00 0.00 H new ATOM 0 HG3 ARG A 27 4.616 3.600 -2.163 1.00 0.00 H new ATOM 0 HD2 ARG A 27 3.124 4.463 -3.874 1.00 0.00 H new ATOM 0 HD3 ARG A 27 2.443 4.888 -2.316 1.00 0.00 H new ATOM 0 HE ARG A 27 4.244 6.965 -3.337 1.00 0.00 H new ATOM 0 HH11 ARG A 27 1.407 5.599 -4.564 1.00 0.00 H new ATOM 0 HH12 ARG A 27 0.488 7.108 -4.577 1.00 0.00 H new ATOM 0 HH21 ARG A 27 2.756 8.926 -2.859 1.00 0.00 H new ATOM 0 HH22 ARG A 27 1.195 8.857 -3.684 1.00 0.00 H new ATOM 458 N ASN A 28 6.598 3.944 0.829 1.00 0.00 N ATOM 459 CA ASN A 28 7.758 3.113 1.134 1.00 0.00 C ATOM 460 C ASN A 28 7.487 2.162 2.302 1.00 0.00 C ATOM 461 O ASN A 28 7.692 0.954 2.202 1.00 0.00 O ATOM 462 CB ASN A 28 8.917 4.090 1.445 1.00 0.00 C ATOM 463 CG ASN A 28 10.276 3.414 1.486 1.00 0.00 C ATOM 464 OD1 ASN A 28 10.471 2.301 1.961 1.00 0.00 O ATOM 465 ND2 ASN A 28 11.288 4.098 0.983 1.00 0.00 N ATOM 0 H ASN A 28 6.805 4.941 0.887 1.00 0.00 H new ATOM 0 HA ASN A 28 8.007 2.467 0.292 1.00 0.00 H new ATOM 0 HB2 ASN A 28 8.933 4.877 0.691 1.00 0.00 H new ATOM 0 HB3 ASN A 28 8.729 4.572 2.404 1.00 0.00 H new ATOM 0 HD21 ASN A 28 12.227 3.700 0.991 1.00 0.00 H new ATOM 0 HD22 ASN A 28 11.130 5.025 0.587 1.00 0.00 H new ATOM 472 N ALA A 29 7.008 2.686 3.435 1.00 0.00 N ATOM 473 CA ALA A 29 6.665 1.880 4.602 1.00 0.00 C ATOM 474 C ALA A 29 5.741 0.730 4.203 1.00 0.00 C ATOM 475 O ALA A 29 5.929 -0.441 4.544 1.00 0.00 O ATOM 476 CB ALA A 29 6.000 2.813 5.625 1.00 0.00 C ATOM 0 H ALA A 29 6.848 3.685 3.565 1.00 0.00 H new ATOM 0 HA ALA A 29 7.555 1.428 5.040 1.00 0.00 H new ATOM 0 HB1 ALA A 29 5.729 2.244 6.514 1.00 0.00 H new ATOM 0 HB2 ALA A 29 6.695 3.606 5.900 1.00 0.00 H new ATOM 0 HB3 ALA A 29 5.103 3.252 5.188 1.00 0.00 H new ATOM 482 N PHE A 30 4.706 1.086 3.443 1.00 0.00 N ATOM 483 CA PHE A 30 3.773 0.096 2.935 1.00 0.00 C ATOM 484 C PHE A 30 4.460 -0.853 1.964 1.00 0.00 C ATOM 485 O PHE A 30 4.269 -2.055 2.080 1.00 0.00 O ATOM 486 CB PHE A 30 2.535 0.789 2.372 1.00 0.00 C ATOM 487 CG PHE A 30 1.774 1.121 3.664 1.00 0.00 C ATOM 488 CD1 PHE A 30 2.040 2.167 4.572 1.00 0.00 C ATOM 489 CD2 PHE A 30 0.706 0.259 3.954 1.00 0.00 C ATOM 490 CE1 PHE A 30 1.259 2.345 5.729 1.00 0.00 C ATOM 491 CE2 PHE A 30 -0.074 0.431 5.103 1.00 0.00 C ATOM 492 CZ PHE A 30 0.194 1.474 6.000 1.00 0.00 C ATOM 0 H PHE A 30 4.498 2.047 3.170 1.00 0.00 H new ATOM 0 HA PHE A 30 3.422 -0.538 3.749 1.00 0.00 H new ATOM 0 HB2 PHE A 30 2.786 1.682 1.800 1.00 0.00 H new ATOM 0 HB3 PHE A 30 1.962 0.138 1.711 1.00 0.00 H new ATOM 0 HD1 PHE A 30 2.858 2.844 4.376 1.00 0.00 H new ATOM 0 HD2 PHE A 30 0.482 -0.553 3.278 1.00 0.00 H new ATOM 0 HE1 PHE A 30 1.480 3.154 6.409 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -0.891 -0.247 5.301 1.00 0.00 H new ATOM 0 HZ PHE A 30 -0.410 1.605 6.886 1.00 0.00 H new ATOM 502 N ILE A 31 5.241 -0.389 0.992 1.00 0.00 N ATOM 503 CA ILE A 31 5.987 -1.255 0.070 1.00 0.00 C ATOM 504 C ILE A 31 6.798 -2.300 0.855 1.00 0.00 C ATOM 505 O ILE A 31 6.915 -3.470 0.483 1.00 0.00 O ATOM 506 CB ILE A 31 6.888 -0.316 -0.773 1.00 0.00 C ATOM 507 CG1 ILE A 31 6.011 0.331 -1.865 1.00 0.00 C ATOM 508 CG2 ILE A 31 8.157 -0.981 -1.345 1.00 0.00 C ATOM 509 CD1 ILE A 31 6.655 1.568 -2.507 1.00 0.00 C ATOM 0 H ILE A 31 5.378 0.606 0.817 1.00 0.00 H new ATOM 0 HA ILE A 31 5.326 -1.823 -0.585 1.00 0.00 H new ATOM 0 HB ILE A 31 7.293 0.449 -0.110 1.00 0.00 H new ATOM 0 HG12 ILE A 31 5.805 -0.407 -2.641 1.00 0.00 H new ATOM 0 HG13 ILE A 31 5.052 0.613 -1.431 1.00 0.00 H new ATOM 0 HG21 ILE A 31 8.724 -0.249 -1.919 1.00 0.00 H new ATOM 0 HG22 ILE A 31 8.772 -1.355 -0.527 1.00 0.00 H new ATOM 0 HG23 ILE A 31 7.873 -1.810 -1.994 1.00 0.00 H new ATOM 0 HD11 ILE A 31 5.986 1.974 -3.266 1.00 0.00 H new ATOM 0 HD12 ILE A 31 6.836 2.323 -1.742 1.00 0.00 H new ATOM 0 HD13 ILE A 31 7.601 1.287 -2.970 1.00 0.00 H new ATOM 521 N GLN A 32 7.374 -1.885 1.979 1.00 0.00 N ATOM 522 CA GLN A 32 8.122 -2.727 2.869 1.00 0.00 C ATOM 523 C GLN A 32 7.220 -3.771 3.551 1.00 0.00 C ATOM 524 O GLN A 32 7.489 -4.983 3.472 1.00 0.00 O ATOM 525 CB GLN A 32 8.826 -1.648 3.731 1.00 0.00 C ATOM 526 CG GLN A 32 9.056 -2.017 5.149 1.00 0.00 C ATOM 527 CD GLN A 32 9.593 -3.414 5.361 1.00 0.00 C ATOM 528 OE1 GLN A 32 10.457 -3.935 4.661 1.00 0.00 O ATOM 529 NE2 GLN A 32 9.006 -4.073 6.335 1.00 0.00 N ATOM 0 H GLN A 32 7.323 -0.916 2.295 1.00 0.00 H new ATOM 0 HA GLN A 32 8.858 -3.408 2.442 1.00 0.00 H new ATOM 0 HB2 GLN A 32 9.787 -1.412 3.274 1.00 0.00 H new ATOM 0 HB3 GLN A 32 8.228 -0.737 3.703 1.00 0.00 H new ATOM 0 HG2 GLN A 32 9.755 -1.304 5.587 1.00 0.00 H new ATOM 0 HG3 GLN A 32 8.117 -1.918 5.693 1.00 0.00 H new ATOM 0 HE21 GLN A 32 8.291 -3.616 6.901 1.00 0.00 H new ATOM 0 HE22 GLN A 32 9.265 -5.041 6.524 1.00 0.00 H new ATOM 538 N SER A 33 6.129 -3.369 4.218 1.00 0.00 N ATOM 539 CA SER A 33 5.226 -4.356 4.832 1.00 0.00 C ATOM 540 C SER A 33 4.646 -5.317 3.790 1.00 0.00 C ATOM 541 O SER A 33 4.392 -6.487 4.063 1.00 0.00 O ATOM 542 CB SER A 33 4.072 -3.719 5.610 1.00 0.00 C ATOM 543 OG SER A 33 3.505 -4.746 6.420 1.00 0.00 O ATOM 0 H SER A 33 5.854 -2.395 4.345 1.00 0.00 H new ATOM 0 HA SER A 33 5.848 -4.906 5.538 1.00 0.00 H new ATOM 0 HB2 SER A 33 4.430 -2.894 6.226 1.00 0.00 H new ATOM 0 HB3 SER A 33 3.327 -3.308 4.929 1.00 0.00 H new ATOM 0 HG SER A 33 2.759 -4.379 6.939 1.00 0.00 H new ATOM 549 N LEU A 34 4.393 -4.784 2.589 1.00 0.00 N ATOM 550 CA LEU A 34 3.900 -5.512 1.422 1.00 0.00 C ATOM 551 C LEU A 34 4.917 -6.590 1.079 1.00 0.00 C ATOM 552 O LEU A 34 4.592 -7.746 0.826 1.00 0.00 O ATOM 553 CB LEU A 34 3.753 -4.527 0.221 1.00 0.00 C ATOM 554 CG LEU A 34 2.328 -4.026 -0.088 1.00 0.00 C ATOM 555 CD1 LEU A 34 1.452 -5.158 -0.623 1.00 0.00 C ATOM 556 CD2 LEU A 34 1.645 -3.343 1.098 1.00 0.00 C ATOM 0 H LEU A 34 4.533 -3.792 2.400 1.00 0.00 H new ATOM 0 HA LEU A 34 2.929 -5.960 1.631 1.00 0.00 H new ATOM 0 HB2 LEU A 34 4.385 -3.660 0.412 1.00 0.00 H new ATOM 0 HB3 LEU A 34 4.143 -5.016 -0.671 1.00 0.00 H new ATOM 0 HG LEU A 34 2.446 -3.264 -0.858 1.00 0.00 H new ATOM 0 HD11 LEU A 34 0.453 -4.777 -0.833 1.00 0.00 H new ATOM 0 HD12 LEU A 34 1.889 -5.554 -1.540 1.00 0.00 H new ATOM 0 HD13 LEU A 34 1.389 -5.952 0.121 1.00 0.00 H new ATOM 0 HD21 LEU A 34 0.647 -3.017 0.805 1.00 0.00 H new ATOM 0 HD22 LEU A 34 1.569 -4.046 1.928 1.00 0.00 H new ATOM 0 HD23 LEU A 34 2.232 -2.478 1.408 1.00 0.00 H new ATOM 568 N LYS A 35 6.197 -6.214 1.049 1.00 0.00 N ATOM 569 CA LYS A 35 7.264 -7.169 0.797 1.00 0.00 C ATOM 570 C LYS A 35 7.263 -8.247 1.888 1.00 0.00 C ATOM 571 O LYS A 35 7.489 -9.424 1.593 1.00 0.00 O ATOM 572 CB LYS A 35 8.600 -6.402 0.727 1.00 0.00 C ATOM 573 CG LYS A 35 9.812 -7.330 0.494 1.00 0.00 C ATOM 574 CD LYS A 35 11.042 -6.995 1.363 1.00 0.00 C ATOM 575 CE LYS A 35 10.885 -7.386 2.847 1.00 0.00 C ATOM 576 NZ LYS A 35 10.038 -6.474 3.605 1.00 0.00 N ATOM 0 H LYS A 35 6.514 -5.256 1.196 1.00 0.00 H new ATOM 0 HA LYS A 35 7.115 -7.680 -0.154 1.00 0.00 H new ATOM 0 HB2 LYS A 35 8.550 -5.668 -0.077 1.00 0.00 H new ATOM 0 HB3 LYS A 35 8.745 -5.849 1.655 1.00 0.00 H new ATOM 0 HG2 LYS A 35 9.511 -8.359 0.692 1.00 0.00 H new ATOM 0 HG3 LYS A 35 10.098 -7.278 -0.556 1.00 0.00 H new ATOM 0 HD2 LYS A 35 11.914 -7.505 0.953 1.00 0.00 H new ATOM 0 HD3 LYS A 35 11.240 -5.925 1.298 1.00 0.00 H new ATOM 0 HE2 LYS A 35 10.467 -8.391 2.907 1.00 0.00 H new ATOM 0 HE3 LYS A 35 11.871 -7.423 3.311 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 10.249 -6.566 4.619 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 10.221 -5.496 3.301 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 9.039 -6.707 3.437 1.00 0.00 H new ATOM 590 N ASP A 36 7.032 -7.898 3.163 1.00 0.00 N ATOM 591 CA ASP A 36 6.977 -8.929 4.200 1.00 0.00 C ATOM 592 C ASP A 36 5.726 -9.820 4.193 1.00 0.00 C ATOM 593 O ASP A 36 5.878 -11.046 4.186 1.00 0.00 O ATOM 594 CB ASP A 36 7.247 -8.301 5.593 1.00 0.00 C ATOM 595 CG ASP A 36 8.734 -8.017 5.762 1.00 0.00 C ATOM 596 OD1 ASP A 36 9.569 -8.787 5.289 1.00 0.00 O ATOM 597 OD2 ASP A 36 9.083 -6.958 6.273 1.00 0.00 O ATOM 0 H ASP A 36 6.885 -6.943 3.490 1.00 0.00 H new ATOM 0 HA ASP A 36 7.775 -9.630 3.956 1.00 0.00 H new ATOM 0 HB2 ASP A 36 6.678 -7.377 5.700 1.00 0.00 H new ATOM 0 HB3 ASP A 36 6.907 -8.977 6.377 1.00 0.00 H new ATOM 602 N ASP A 37 4.483 -9.345 4.173 1.00 0.00 N ATOM 603 CA ASP A 37 3.334 -10.250 4.157 1.00 0.00 C ATOM 604 C ASP A 37 2.613 -10.357 2.802 1.00 0.00 C ATOM 605 O ASP A 37 2.190 -9.357 2.212 1.00 0.00 O ATOM 606 CB ASP A 37 2.355 -9.925 5.272 1.00 0.00 C ATOM 607 CG ASP A 37 1.472 -11.130 5.566 1.00 0.00 C ATOM 608 OD1 ASP A 37 0.743 -11.563 4.667 1.00 0.00 O ATOM 609 OD2 ASP A 37 1.505 -11.643 6.683 1.00 0.00 O ATOM 0 H ASP A 37 4.246 -8.353 4.168 1.00 0.00 H new ATOM 0 HA ASP A 37 3.758 -11.239 4.333 1.00 0.00 H new ATOM 0 HB2 ASP A 37 2.900 -9.636 6.171 1.00 0.00 H new ATOM 0 HB3 ASP A 37 1.737 -9.074 4.986 1.00 0.00 H new ATOM 614 N PRO A 38 2.439 -11.573 2.258 1.00 0.00 N ATOM 615 CA PRO A 38 1.727 -11.781 1.004 1.00 0.00 C ATOM 616 C PRO A 38 0.201 -11.685 1.118 1.00 0.00 C ATOM 617 O PRO A 38 -0.368 -10.681 0.682 1.00 0.00 O ATOM 618 CB PRO A 38 2.240 -13.153 0.554 1.00 0.00 C ATOM 619 CG PRO A 38 2.463 -13.888 1.866 1.00 0.00 C ATOM 620 CD PRO A 38 3.018 -12.807 2.791 1.00 0.00 C ATOM 0 HA PRO A 38 1.923 -10.996 0.274 1.00 0.00 H new ATOM 0 HB2 PRO A 38 1.515 -13.667 -0.077 1.00 0.00 H new ATOM 0 HB3 PRO A 38 3.161 -13.069 -0.022 1.00 0.00 H new ATOM 0 HG2 PRO A 38 1.535 -14.309 2.253 1.00 0.00 H new ATOM 0 HG3 PRO A 38 3.164 -14.715 1.749 1.00 0.00 H new ATOM 0 HD2 PRO A 38 2.723 -12.974 3.827 1.00 0.00 H new ATOM 0 HD3 PRO A 38 4.107 -12.781 2.770 1.00 0.00 H new ATOM 628 N SER A 39 -0.541 -12.637 1.701 1.00 0.00 N ATOM 629 CA SER A 39 -2.008 -12.556 1.752 1.00 0.00 C ATOM 630 C SER A 39 -2.558 -11.368 2.531 1.00 0.00 C ATOM 631 O SER A 39 -3.637 -10.853 2.225 1.00 0.00 O ATOM 632 CB SER A 39 -2.620 -13.868 2.249 1.00 0.00 C ATOM 633 OG SER A 39 -2.370 -14.881 1.274 1.00 0.00 O ATOM 0 H SER A 39 -0.151 -13.470 2.143 1.00 0.00 H new ATOM 0 HA SER A 39 -2.313 -12.385 0.720 1.00 0.00 H new ATOM 0 HB2 SER A 39 -2.185 -14.150 3.208 1.00 0.00 H new ATOM 0 HB3 SER A 39 -3.692 -13.750 2.407 1.00 0.00 H new ATOM 0 HG SER A 39 -2.343 -14.477 0.382 1.00 0.00 H new ATOM 639 N GLN A 40 -1.836 -10.883 3.540 1.00 0.00 N ATOM 640 CA GLN A 40 -2.292 -9.717 4.286 1.00 0.00 C ATOM 641 C GLN A 40 -2.215 -8.439 3.458 1.00 0.00 C ATOM 642 O GLN A 40 -2.759 -7.415 3.862 1.00 0.00 O ATOM 643 CB GLN A 40 -1.461 -9.535 5.555 1.00 0.00 C ATOM 644 CG GLN A 40 -1.835 -10.486 6.713 1.00 0.00 C ATOM 645 CD GLN A 40 -2.107 -11.934 6.330 1.00 0.00 C ATOM 646 OE1 GLN A 40 -3.240 -12.329 6.078 1.00 0.00 O ATOM 647 NE2 GLN A 40 -1.135 -12.819 6.302 1.00 0.00 N ATOM 0 H GLN A 40 -0.948 -11.273 3.854 1.00 0.00 H new ATOM 0 HA GLN A 40 -3.335 -9.898 4.544 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -0.409 -9.681 5.308 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -1.568 -8.506 5.899 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -1.027 -10.471 7.444 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -2.721 -10.090 7.209 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -0.178 -12.532 6.506 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -1.338 -13.793 6.077 1.00 0.00 H new ATOM 656 N SER A 41 -1.553 -8.491 2.301 1.00 0.00 N ATOM 657 CA SER A 41 -1.418 -7.372 1.357 1.00 0.00 C ATOM 658 C SER A 41 -2.716 -6.612 1.142 1.00 0.00 C ATOM 659 O SER A 41 -2.723 -5.382 1.060 1.00 0.00 O ATOM 660 CB SER A 41 -0.926 -7.966 0.020 1.00 0.00 C ATOM 661 OG SER A 41 -0.969 -7.003 -1.024 1.00 0.00 O ATOM 0 H SER A 41 -1.081 -9.337 1.982 1.00 0.00 H new ATOM 0 HA SER A 41 -0.714 -6.648 1.767 1.00 0.00 H new ATOM 0 HB2 SER A 41 0.094 -8.333 0.137 1.00 0.00 H new ATOM 0 HB3 SER A 41 -1.544 -8.823 -0.248 1.00 0.00 H new ATOM 0 HG SER A 41 -1.429 -7.384 -1.801 1.00 0.00 H new ATOM 667 N ALA A 42 -3.852 -7.310 1.063 1.00 0.00 N ATOM 668 CA ALA A 42 -5.140 -6.633 0.907 1.00 0.00 C ATOM 669 C ALA A 42 -5.397 -5.620 2.036 1.00 0.00 C ATOM 670 O ALA A 42 -5.916 -4.522 1.833 1.00 0.00 O ATOM 671 CB ALA A 42 -6.253 -7.694 0.865 1.00 0.00 C ATOM 0 H ALA A 42 -3.906 -8.328 1.104 1.00 0.00 H new ATOM 0 HA ALA A 42 -5.128 -6.067 -0.025 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -7.219 -7.203 0.749 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -6.084 -8.366 0.023 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -6.246 -8.266 1.793 1.00 0.00 H new ATOM 677 N ASN A 43 -4.990 -5.991 3.251 1.00 0.00 N ATOM 678 CA ASN A 43 -5.153 -5.137 4.424 1.00 0.00 C ATOM 679 C ASN A 43 -4.163 -3.995 4.270 1.00 0.00 C ATOM 680 O ASN A 43 -4.505 -2.831 4.407 1.00 0.00 O ATOM 681 CB ASN A 43 -4.882 -5.890 5.746 1.00 0.00 C ATOM 682 CG ASN A 43 -5.713 -7.153 5.835 1.00 0.00 C ATOM 683 OD1 ASN A 43 -6.802 -7.226 6.389 1.00 0.00 O ATOM 684 ND2 ASN A 43 -5.171 -8.203 5.260 1.00 0.00 N ATOM 0 H ASN A 43 -4.541 -6.886 3.447 1.00 0.00 H new ATOM 0 HA ASN A 43 -6.183 -4.785 4.478 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -3.824 -6.142 5.814 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -5.110 -5.241 6.591 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -5.659 -9.099 5.270 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -4.263 -8.122 4.803 1.00 0.00 H new ATOM 691 N LEU A 44 -2.912 -4.323 3.961 1.00 0.00 N ATOM 692 CA LEU A 44 -1.867 -3.326 3.728 1.00 0.00 C ATOM 693 C LEU A 44 -2.198 -2.279 2.657 1.00 0.00 C ATOM 694 O LEU A 44 -1.807 -1.111 2.692 1.00 0.00 O ATOM 695 CB LEU A 44 -0.542 -4.071 3.428 1.00 0.00 C ATOM 696 CG LEU A 44 -0.346 -5.464 4.038 1.00 0.00 C ATOM 697 CD1 LEU A 44 1.045 -6.011 3.727 1.00 0.00 C ATOM 698 CD2 LEU A 44 -0.474 -5.411 5.564 1.00 0.00 C ATOM 0 H LEU A 44 -2.592 -5.287 3.865 1.00 0.00 H new ATOM 0 HA LEU A 44 -1.774 -2.731 4.637 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -0.449 -4.164 2.346 1.00 0.00 H new ATOM 0 HB3 LEU A 44 0.280 -3.440 3.766 1.00 0.00 H new ATOM 0 HG LEU A 44 -1.114 -6.106 3.605 1.00 0.00 H new ATOM 0 HD11 LEU A 44 1.155 -7.000 4.172 1.00 0.00 H new ATOM 0 HD12 LEU A 44 1.175 -6.083 2.647 1.00 0.00 H new ATOM 0 HD13 LEU A 44 1.800 -5.341 4.139 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -0.331 -6.410 5.976 1.00 0.00 H new ATOM 0 HD22 LEU A 44 0.283 -4.740 5.970 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -1.465 -5.045 5.834 1.00 0.00 H new ATOM 710 N LEU A 45 -2.989 -2.730 1.699 1.00 0.00 N ATOM 711 CA LEU A 45 -3.409 -1.952 0.544 1.00 0.00 C ATOM 712 C LEU A 45 -4.494 -1.002 0.984 1.00 0.00 C ATOM 713 O LEU A 45 -4.411 0.214 0.803 1.00 0.00 O ATOM 714 CB LEU A 45 -3.917 -2.880 -0.576 1.00 0.00 C ATOM 715 CG LEU A 45 -4.718 -2.174 -1.693 1.00 0.00 C ATOM 716 CD1 LEU A 45 -3.973 -0.988 -2.318 1.00 0.00 C ATOM 717 CD2 LEU A 45 -5.138 -3.189 -2.767 1.00 0.00 C ATOM 0 H LEU A 45 -3.369 -3.677 1.703 1.00 0.00 H new ATOM 0 HA LEU A 45 -2.565 -1.389 0.146 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -3.062 -3.384 -1.026 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -4.545 -3.652 -0.131 1.00 0.00 H new ATOM 0 HG LEU A 45 -5.609 -1.754 -1.225 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -4.592 -0.538 -3.095 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -3.760 -0.246 -1.549 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -3.037 -1.336 -2.756 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -5.702 -2.680 -3.549 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -4.250 -3.648 -3.201 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -5.761 -3.961 -2.315 1.00 0.00 H new ATOM 729 N ALA A 46 -5.516 -1.602 1.594 1.00 0.00 N ATOM 730 CA ALA A 46 -6.617 -0.819 2.121 1.00 0.00 C ATOM 731 C ALA A 46 -6.067 0.223 3.091 1.00 0.00 C ATOM 732 O ALA A 46 -6.533 1.361 3.175 1.00 0.00 O ATOM 733 CB ALA A 46 -7.591 -1.777 2.826 1.00 0.00 C ATOM 0 H ALA A 46 -5.599 -2.609 1.731 1.00 0.00 H new ATOM 0 HA ALA A 46 -7.147 -0.296 1.325 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -8.429 -1.210 3.231 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -7.962 -2.511 2.110 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -7.074 -2.290 3.637 1.00 0.00 H new ATOM 739 N GLU A 47 -5.018 -0.180 3.811 1.00 0.00 N ATOM 740 CA GLU A 47 -4.377 0.716 4.764 1.00 0.00 C ATOM 741 C GLU A 47 -3.680 1.883 4.085 1.00 0.00 C ATOM 742 O GLU A 47 -4.015 3.037 4.342 1.00 0.00 O ATOM 743 CB GLU A 47 -3.450 -0.080 5.697 1.00 0.00 C ATOM 744 CG GLU A 47 -4.233 -0.750 6.849 1.00 0.00 C ATOM 745 CD GLU A 47 -4.845 0.299 7.755 1.00 0.00 C ATOM 746 OE1 GLU A 47 -4.152 0.818 8.631 1.00 0.00 O ATOM 747 OE2 GLU A 47 -6.013 0.652 7.575 1.00 0.00 O ATOM 0 H GLU A 47 -4.602 -1.109 3.751 1.00 0.00 H new ATOM 0 HA GLU A 47 -5.152 1.171 5.380 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -2.924 -0.843 5.123 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -2.693 0.585 6.111 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -5.017 -1.388 6.441 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -3.566 -1.392 7.425 1.00 0.00 H new ATOM 754 N ALA A 48 -2.706 1.625 3.217 1.00 0.00 N ATOM 755 CA ALA A 48 -2.036 2.704 2.491 1.00 0.00 C ATOM 756 C ALA A 48 -3.027 3.647 1.806 1.00 0.00 C ATOM 757 O ALA A 48 -2.854 4.866 1.826 1.00 0.00 O ATOM 758 CB ALA A 48 -1.104 2.090 1.420 1.00 0.00 C ATOM 0 H ALA A 48 -2.364 0.689 2.999 1.00 0.00 H new ATOM 0 HA ALA A 48 -1.469 3.288 3.216 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -0.601 2.888 0.875 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -0.360 1.457 1.904 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -1.693 1.491 0.725 1.00 0.00 H new ATOM 764 N LYS A 49 -4.080 3.092 1.197 1.00 0.00 N ATOM 765 CA LYS A 49 -5.121 3.883 0.548 1.00 0.00 C ATOM 766 C LYS A 49 -5.903 4.753 1.548 1.00 0.00 C ATOM 767 O LYS A 49 -6.237 5.919 1.285 1.00 0.00 O ATOM 768 CB LYS A 49 -6.028 2.885 -0.203 1.00 0.00 C ATOM 769 CG LYS A 49 -6.769 3.506 -1.406 1.00 0.00 C ATOM 770 CD LYS A 49 -8.289 3.243 -1.389 1.00 0.00 C ATOM 771 CE LYS A 49 -8.996 3.973 -0.238 1.00 0.00 C ATOM 772 NZ LYS A 49 -8.661 5.382 -0.317 1.00 0.00 N ATOM 0 H LYS A 49 -4.231 2.085 1.142 1.00 0.00 H new ATOM 0 HA LYS A 49 -4.682 4.597 -0.149 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -5.422 2.049 -0.553 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -6.761 2.478 0.494 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -6.594 4.582 -1.416 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -6.348 3.106 -2.329 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -8.721 3.562 -2.338 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -8.469 2.172 -1.301 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -10.075 3.835 -0.307 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -8.683 3.562 0.722 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -9.447 5.948 0.062 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -7.802 5.566 0.239 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -8.493 5.644 -1.309 1.00 0.00 H new ATOM 786 N LYS A 50 -6.212 4.199 2.730 1.00 0.00 N ATOM 787 CA LYS A 50 -6.904 4.925 3.784 1.00 0.00 C ATOM 788 C LYS A 50 -5.999 6.055 4.263 1.00 0.00 C ATOM 789 O LYS A 50 -6.430 7.167 4.563 1.00 0.00 O ATOM 790 CB LYS A 50 -7.312 3.889 4.870 1.00 0.00 C ATOM 791 CG LYS A 50 -7.223 4.285 6.353 1.00 0.00 C ATOM 792 CD LYS A 50 -5.754 4.233 6.828 1.00 0.00 C ATOM 793 CE LYS A 50 -5.626 4.202 8.353 1.00 0.00 C ATOM 794 NZ LYS A 50 -6.094 2.918 8.841 1.00 0.00 N ATOM 0 H LYS A 50 -5.985 3.235 2.974 1.00 0.00 H new ATOM 0 HA LYS A 50 -7.824 5.409 3.456 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -8.342 3.592 4.671 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -6.692 3.004 4.729 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -7.624 5.289 6.494 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -7.832 3.611 6.955 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -5.272 3.349 6.409 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -5.220 5.101 6.440 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -4.588 4.361 8.647 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -6.210 5.009 8.796 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -6.925 3.060 9.450 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -6.354 2.314 8.035 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -5.339 2.458 9.389 1.00 0.00 H new ATOM 808 N LEU A 51 -4.697 5.773 4.338 1.00 0.00 N ATOM 809 CA LEU A 51 -3.740 6.791 4.727 1.00 0.00 C ATOM 810 C LEU A 51 -3.698 7.872 3.660 1.00 0.00 C ATOM 811 O LEU A 51 -3.609 9.055 3.973 1.00 0.00 O ATOM 812 CB LEU A 51 -2.368 6.182 4.968 1.00 0.00 C ATOM 813 CG LEU A 51 -2.271 5.416 6.289 1.00 0.00 C ATOM 814 CD1 LEU A 51 -0.858 4.852 6.405 1.00 0.00 C ATOM 815 CD2 LEU A 51 -2.548 6.324 7.500 1.00 0.00 C ATOM 0 H LEU A 51 -4.292 4.859 4.136 1.00 0.00 H new ATOM 0 HA LEU A 51 -4.053 7.244 5.668 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -2.128 5.508 4.146 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -1.620 6.974 4.959 1.00 0.00 H new ATOM 0 HG LEU A 51 -3.020 4.624 6.289 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -0.762 4.300 7.340 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -0.664 4.183 5.567 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -0.138 5.670 6.391 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -2.469 5.741 8.418 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -1.819 7.134 7.521 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -3.552 6.741 7.420 1.00 0.00 H new ATOM 827 N ASN A 52 -3.737 7.494 2.377 1.00 0.00 N ATOM 828 CA ASN A 52 -3.765 8.441 1.267 1.00 0.00 C ATOM 829 C ASN A 52 -4.862 9.452 1.536 1.00 0.00 C ATOM 830 O ASN A 52 -4.656 10.664 1.540 1.00 0.00 O ATOM 831 CB ASN A 52 -4.010 7.681 -0.066 1.00 0.00 C ATOM 832 CG ASN A 52 -4.458 8.602 -1.192 1.00 0.00 C ATOM 833 OD1 ASN A 52 -3.687 8.996 -2.062 1.00 0.00 O ATOM 834 ND2 ASN A 52 -5.711 9.018 -1.215 1.00 0.00 N ATOM 0 H ASN A 52 -3.750 6.517 2.083 1.00 0.00 H new ATOM 0 HA ASN A 52 -2.812 8.962 1.178 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -3.094 7.170 -0.362 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -4.766 6.912 0.092 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -6.023 9.656 -1.947 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -6.367 8.702 -0.501 1.00 0.00 H new ATOM 841 N ASP A 53 -6.028 8.877 1.806 1.00 0.00 N ATOM 842 CA ASP A 53 -7.201 9.670 2.134 1.00 0.00 C ATOM 843 C ASP A 53 -6.910 10.600 3.311 1.00 0.00 C ATOM 844 O ASP A 53 -6.976 11.818 3.171 1.00 0.00 O ATOM 845 CB ASP A 53 -8.398 8.731 2.426 1.00 0.00 C ATOM 846 CG ASP A 53 -8.862 7.939 1.217 1.00 0.00 C ATOM 847 OD1 ASP A 53 -8.194 7.916 0.176 1.00 0.00 O ATOM 848 OD2 ASP A 53 -9.912 7.306 1.328 1.00 0.00 O ATOM 0 H ASP A 53 -6.184 7.869 1.804 1.00 0.00 H new ATOM 0 HA ASP A 53 -7.462 10.300 1.284 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -8.119 8.037 3.219 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -9.231 9.325 2.802 1.00 0.00 H new ATOM 853 N ALA A 54 -6.523 10.044 4.462 1.00 0.00 N ATOM 854 CA ALA A 54 -6.260 10.808 5.684 1.00 0.00 C ATOM 855 C ALA A 54 -5.239 11.937 5.531 1.00 0.00 C ATOM 856 O ALA A 54 -5.310 12.967 6.202 1.00 0.00 O ATOM 857 CB ALA A 54 -5.775 9.831 6.764 1.00 0.00 C ATOM 0 H ALA A 54 -6.382 9.040 4.573 1.00 0.00 H new ATOM 0 HA ALA A 54 -7.196 11.297 5.953 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -5.572 10.378 7.685 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -6.545 9.082 6.949 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -4.863 9.339 6.426 1.00 0.00 H new ATOM 863 N GLN A 55 -4.279 11.740 4.634 1.00 0.00 N ATOM 864 CA GLN A 55 -3.260 12.743 4.351 1.00 0.00 C ATOM 865 C GLN A 55 -3.762 13.991 3.641 1.00 0.00 C ATOM 866 O GLN A 55 -3.116 15.039 3.696 1.00 0.00 O ATOM 867 CB GLN A 55 -2.135 12.115 3.550 1.00 0.00 C ATOM 868 CG GLN A 55 -1.293 11.101 4.353 1.00 0.00 C ATOM 869 CD GLN A 55 -0.424 10.301 3.405 1.00 0.00 C ATOM 870 OE1 GLN A 55 0.710 10.634 3.099 1.00 0.00 O ATOM 871 NE2 GLN A 55 -0.937 9.200 2.901 1.00 0.00 N ATOM 0 H GLN A 55 -4.186 10.885 4.085 1.00 0.00 H new ATOM 0 HA GLN A 55 -2.910 13.086 5.325 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -2.557 11.614 2.679 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -1.481 12.904 3.179 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -0.671 11.624 5.080 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -1.947 10.434 4.915 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -1.884 8.917 3.153 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -0.388 8.629 2.258 1.00 0.00 H new ATOM 880 N ALA A 56 -4.908 13.932 2.977 1.00 0.00 N ATOM 881 CA ALA A 56 -5.424 15.098 2.270 1.00 0.00 C ATOM 882 C ALA A 56 -6.193 16.089 3.152 1.00 0.00 C ATOM 883 O ALA A 56 -5.824 17.263 3.162 1.00 0.00 O ATOM 884 CB ALA A 56 -6.244 14.648 1.057 1.00 0.00 C ATOM 0 H ALA A 56 -5.493 13.099 2.912 1.00 0.00 H new ATOM 0 HA ALA A 56 -4.558 15.665 1.930 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -6.627 15.523 0.532 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -5.611 14.070 0.384 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -7.078 14.031 1.390 1.00 0.00 H new ATOM 890 N PRO A 57 -7.228 15.716 3.925 1.00 0.00 N ATOM 891 CA PRO A 57 -8.036 16.618 4.757 1.00 0.00 C ATOM 892 C PRO A 57 -7.416 17.013 6.104 1.00 0.00 C ATOM 893 O PRO A 57 -8.002 16.927 7.183 1.00 0.00 O ATOM 894 CB PRO A 57 -9.348 15.841 4.877 1.00 0.00 C ATOM 895 CG PRO A 57 -8.827 14.427 5.069 1.00 0.00 C ATOM 896 CD PRO A 57 -7.684 14.335 4.054 1.00 0.00 C ATOM 0 HA PRO A 57 -8.146 17.607 4.311 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -9.951 16.177 5.720 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -9.967 15.935 3.985 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -8.475 14.262 6.087 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -9.600 13.683 4.874 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -6.887 13.681 4.406 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -8.026 13.935 3.100 1.00 0.00 H new ATOM 904 N LYS A 58 -6.180 17.462 5.976 1.00 0.00 N ATOM 905 CA LYS A 58 -5.338 17.958 7.057 1.00 0.00 C ATOM 906 C LYS A 58 -4.339 19.003 6.549 1.00 0.00 C ATOM 907 O LYS A 58 -3.474 19.431 7.305 1.00 0.00 O ATOM 908 CB LYS A 58 -4.651 16.773 7.779 1.00 0.00 C ATOM 909 CG LYS A 58 -3.989 15.729 6.851 1.00 0.00 C ATOM 910 CD LYS A 58 -2.448 15.705 6.862 1.00 0.00 C ATOM 911 CE LYS A 58 -1.736 16.967 6.359 1.00 0.00 C ATOM 912 NZ LYS A 58 -2.293 17.388 5.086 1.00 0.00 N ATOM 913 OXT LYS A 58 -4.362 19.345 5.367 1.00 0.00 O ATOM 0 H LYS A 58 -5.710 17.493 5.071 1.00 0.00 H new ATOM 0 HA LYS A 58 -5.963 18.469 7.789 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -3.891 17.170 8.452 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -5.392 16.267 8.398 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -4.351 14.740 7.131 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -4.324 15.914 5.830 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -2.118 15.512 7.883 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -2.116 14.862 6.255 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -1.840 17.768 7.091 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -0.669 16.772 6.250 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -1.526 17.709 4.461 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -2.790 16.589 4.643 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -2.963 18.169 5.241 1.00 0.00 H new TER 927 LYS A 58