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 26 GLN : amide:sc= -6.84! K(o=-17!,f=-9.2) USER MOD Set 1.2: A 55 GLN : amide:sc= -9.84! K(o=-17!,f=-9.2) USER MOD Set 2.1: A 6 ASN : amide:sc= -6.68! K(o=-7.2!,f=0.6) USER MOD Set 2.2: A 9 GLN : amide:sc= -0.97! C(o=-7.2!,f=-6.9!) USER MOD Set 2.3: A 41 SER OG : rot 34:sc= 0.428 USER MOD Single : A 1 VAL N :NH3+ 163:sc= 1.32 (180deg=0.121) USER MOD Single : A 3 ASN : amide:sc= -0.589 K(o=-0.59,f=0) USER MOD Single : A 4 LYS NZ :NH3+ -115:sc= -1.25! (180deg=-3.98!) USER MOD Single : A 7 LYS NZ :NH3+ -128:sc= 0.723 (180deg=-1.74!) USER MOD Single : A 10 GLN : amide:sc= -0.558 X(o=-0.56,f=-0.53) USER MOD Single : A 11 ASN : amide:sc= -0.631 K(o=-0.63,f=-4.8!) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 HIS : no HE2:sc= 0.725 K(o=0.73,f=-2.9!) USER MOD Single : A 21 ASN : amide:sc= -1.55 X(o=-1.5,f=-1.5) USER MOD Single : A 23 ASN : amide:sc= -0.631 X(o=-0.63,f=-0.23) USER MOD Single : A 28 ASN : amide:sc= 0.113 K(o=0.11,f=-0.44) USER MOD Single : A 32 GLN : amide:sc= -1.33! K(o=-1.3!,f=-0.097) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 35 LYS NZ :NH3+ 152:sc= 1.8 (180deg=0.485) USER MOD Single : A 39 SER OG : rot 74:sc= 0.923 USER MOD Single : A 40 GLN : amide:sc= -1.38 K(o=-1.4,f=-2.7!) USER MOD Single : A 43 ASN : amide:sc= 0.0866 X(o=0.087,f=0.043) USER MOD Single : A 49 LYS NZ :NH3+ -142:sc= 0.992 (180deg=-0.746) USER MOD Single : A 50 LYS NZ :NH3+ 141:sc= 0.938 (180deg=-1.55!) USER MOD Single : A 52 ASN : amide:sc= 0.267 K(o=0.27,f=-11!) USER MOD Single : A 58 LYS NZ :NH3+ 164:sc= 2.56 (180deg=1.88) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 7.342 -11.924 1.842 1.00 0.00 N ATOM 2 CA VAL A 1 7.960 -12.997 1.081 1.00 0.00 C ATOM 3 C VAL A 1 9.484 -12.899 1.114 1.00 0.00 C ATOM 4 O VAL A 1 10.054 -12.046 1.801 1.00 0.00 O ATOM 5 CB VAL A 1 7.460 -12.898 -0.379 1.00 0.00 C ATOM 6 CG1 VAL A 1 6.016 -13.385 -0.528 1.00 0.00 C ATOM 7 CG2 VAL A 1 7.577 -11.457 -0.923 1.00 0.00 C ATOM 0 H1 VAL A 1 6.341 -11.840 1.574 1.00 0.00 H new ATOM 0 H2 VAL A 1 7.412 -12.134 2.858 1.00 0.00 H new ATOM 0 H3 VAL A 1 7.830 -11.029 1.639 1.00 0.00 H new ATOM 0 HA VAL A 1 7.685 -13.955 1.522 1.00 0.00 H new ATOM 0 HB VAL A 1 8.105 -13.552 -0.966 1.00 0.00 H new ATOM 0 HG11 VAL A 1 5.708 -13.297 -1.570 1.00 0.00 H new ATOM 0 HG12 VAL A 1 5.950 -14.428 -0.217 1.00 0.00 H new ATOM 0 HG13 VAL A 1 5.361 -12.778 0.097 1.00 0.00 H new ATOM 0 HG21 VAL A 1 7.217 -11.426 -1.951 1.00 0.00 H new ATOM 0 HG22 VAL A 1 6.977 -10.786 -0.308 1.00 0.00 H new ATOM 0 HG23 VAL A 1 8.620 -11.141 -0.894 1.00 0.00 H new ATOM 19 N ASP A 2 10.147 -13.787 0.371 1.00 0.00 N ATOM 20 CA ASP A 2 11.591 -13.824 0.224 1.00 0.00 C ATOM 21 C ASP A 2 12.066 -12.557 -0.503 1.00 0.00 C ATOM 22 O ASP A 2 12.322 -11.515 0.108 1.00 0.00 O ATOM 23 CB ASP A 2 11.897 -15.159 -0.551 1.00 0.00 C ATOM 24 CG ASP A 2 10.965 -15.428 -1.735 1.00 0.00 C ATOM 25 OD1 ASP A 2 9.845 -15.892 -1.524 1.00 0.00 O ATOM 26 OD2 ASP A 2 11.327 -15.153 -2.882 1.00 0.00 O ATOM 0 H ASP A 2 9.674 -14.519 -0.158 1.00 0.00 H new ATOM 0 HA ASP A 2 12.129 -13.826 1.172 1.00 0.00 H new ATOM 0 HB2 ASP A 2 12.925 -15.128 -0.913 1.00 0.00 H new ATOM 0 HB3 ASP A 2 11.829 -15.994 0.146 1.00 0.00 H new ATOM 31 N ASN A 3 12.181 -12.650 -1.822 1.00 0.00 N ATOM 32 CA ASN A 3 12.559 -11.561 -2.713 1.00 0.00 C ATOM 33 C ASN A 3 11.528 -11.391 -3.830 1.00 0.00 C ATOM 34 O ASN A 3 11.398 -10.338 -4.449 1.00 0.00 O ATOM 35 CB ASN A 3 13.963 -11.829 -3.300 1.00 0.00 C ATOM 36 CG ASN A 3 15.018 -11.914 -2.212 1.00 0.00 C ATOM 37 OD1 ASN A 3 15.977 -12.661 -2.315 1.00 0.00 O ATOM 38 ND2 ASN A 3 14.912 -11.166 -1.128 1.00 0.00 N ATOM 0 H ASN A 3 12.006 -13.523 -2.320 1.00 0.00 H new ATOM 0 HA ASN A 3 12.587 -10.633 -2.142 1.00 0.00 H new ATOM 0 HB2 ASN A 3 13.949 -12.760 -3.867 1.00 0.00 H new ATOM 0 HB3 ASN A 3 14.224 -11.034 -3.999 1.00 0.00 H new ATOM 0 HD21 ASN A 3 15.623 -11.221 -0.399 1.00 0.00 H new ATOM 0 HD22 ASN A 3 14.119 -10.534 -1.020 1.00 0.00 H new ATOM 45 N LYS A 4 10.787 -12.463 -4.086 1.00 0.00 N ATOM 46 CA LYS A 4 9.719 -12.501 -5.074 1.00 0.00 C ATOM 47 C LYS A 4 8.318 -12.296 -4.479 1.00 0.00 C ATOM 48 O LYS A 4 7.874 -13.021 -3.589 1.00 0.00 O ATOM 49 CB LYS A 4 9.900 -13.821 -5.860 1.00 0.00 C ATOM 50 CG LYS A 4 8.717 -14.324 -6.718 1.00 0.00 C ATOM 51 CD LYS A 4 7.656 -15.183 -5.988 1.00 0.00 C ATOM 52 CE LYS A 4 8.236 -16.301 -5.091 1.00 0.00 C ATOM 53 NZ LYS A 4 8.645 -15.741 -3.812 1.00 0.00 N ATOM 0 H LYS A 4 10.917 -13.350 -3.600 1.00 0.00 H new ATOM 0 HA LYS A 4 9.794 -11.654 -5.756 1.00 0.00 H new ATOM 0 HB2 LYS A 4 10.762 -13.703 -6.517 1.00 0.00 H new ATOM 0 HB3 LYS A 4 10.150 -14.604 -5.144 1.00 0.00 H new ATOM 0 HG2 LYS A 4 8.217 -13.458 -7.152 1.00 0.00 H new ATOM 0 HG3 LYS A 4 9.119 -14.908 -7.546 1.00 0.00 H new ATOM 0 HD2 LYS A 4 7.037 -14.528 -5.375 1.00 0.00 H new ATOM 0 HD3 LYS A 4 7.001 -15.636 -6.732 1.00 0.00 H new ATOM 0 HE2 LYS A 4 7.490 -17.080 -4.936 1.00 0.00 H new ATOM 0 HE3 LYS A 4 9.088 -16.770 -5.583 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 9.677 -15.825 -3.710 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 8.374 -14.738 -3.770 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 8.177 -16.259 -3.041 1.00 0.00 H new ATOM 67 N PHE A 5 7.606 -11.282 -4.978 1.00 0.00 N ATOM 68 CA PHE A 5 6.237 -10.950 -4.565 1.00 0.00 C ATOM 69 C PHE A 5 5.171 -11.957 -5.001 1.00 0.00 C ATOM 70 O PHE A 5 5.388 -12.763 -5.908 1.00 0.00 O ATOM 71 CB PHE A 5 5.892 -9.568 -5.148 1.00 0.00 C ATOM 72 CG PHE A 5 6.692 -8.374 -4.641 1.00 0.00 C ATOM 73 CD1 PHE A 5 7.932 -8.002 -5.203 1.00 0.00 C ATOM 74 CD2 PHE A 5 6.165 -7.617 -3.576 1.00 0.00 C ATOM 75 CE1 PHE A 5 8.631 -6.886 -4.699 1.00 0.00 C ATOM 76 CE2 PHE A 5 6.868 -6.502 -3.078 1.00 0.00 C ATOM 77 CZ PHE A 5 8.101 -6.134 -3.637 1.00 0.00 C ATOM 0 H PHE A 5 7.971 -10.655 -5.695 1.00 0.00 H new ATOM 0 HA PHE A 5 6.224 -10.966 -3.475 1.00 0.00 H new ATOM 0 HB2 PHE A 5 6.012 -9.619 -6.230 1.00 0.00 H new ATOM 0 HB3 PHE A 5 4.837 -9.374 -4.953 1.00 0.00 H new ATOM 0 HD1 PHE A 5 8.346 -8.573 -6.021 1.00 0.00 H new ATOM 0 HD2 PHE A 5 5.217 -7.893 -3.139 1.00 0.00 H new ATOM 0 HE1 PHE A 5 9.580 -6.607 -5.132 1.00 0.00 H new ATOM 0 HE2 PHE A 5 6.455 -5.928 -2.262 1.00 0.00 H new ATOM 0 HZ PHE A 5 8.639 -5.279 -3.254 1.00 0.00 H new ATOM 87 N ASN A 6 3.998 -11.920 -4.356 1.00 0.00 N ATOM 88 CA ASN A 6 2.881 -12.797 -4.716 1.00 0.00 C ATOM 89 C ASN A 6 1.913 -12.115 -5.696 1.00 0.00 C ATOM 90 O ASN A 6 2.027 -10.925 -5.999 1.00 0.00 O ATOM 91 CB ASN A 6 2.107 -13.254 -3.452 1.00 0.00 C ATOM 92 CG ASN A 6 3.046 -13.595 -2.310 1.00 0.00 C ATOM 93 OD1 ASN A 6 3.638 -14.669 -2.229 1.00 0.00 O ATOM 94 ND2 ASN A 6 3.196 -12.640 -1.417 1.00 0.00 N ATOM 0 H ASN A 6 3.799 -11.289 -3.580 1.00 0.00 H new ATOM 0 HA ASN A 6 3.309 -13.670 -5.210 1.00 0.00 H new ATOM 0 HB2 ASN A 6 1.425 -12.464 -3.138 1.00 0.00 H new ATOM 0 HB3 ASN A 6 1.497 -14.125 -3.694 1.00 0.00 H new ATOM 0 HD21 ASN A 6 3.821 -12.778 -0.623 1.00 0.00 H new ATOM 0 HD22 ASN A 6 2.687 -11.762 -1.519 1.00 0.00 H new ATOM 101 N LYS A 7 0.935 -12.880 -6.194 1.00 0.00 N ATOM 102 CA LYS A 7 -0.057 -12.433 -7.171 1.00 0.00 C ATOM 103 C LYS A 7 -0.827 -11.164 -6.783 1.00 0.00 C ATOM 104 O LYS A 7 -0.443 -10.065 -7.183 1.00 0.00 O ATOM 105 CB LYS A 7 -1.003 -13.625 -7.526 1.00 0.00 C ATOM 106 CG LYS A 7 -1.666 -14.399 -6.353 1.00 0.00 C ATOM 107 CD LYS A 7 -0.862 -15.614 -5.843 1.00 0.00 C ATOM 108 CE LYS A 7 -1.482 -16.187 -4.557 1.00 0.00 C ATOM 109 NZ LYS A 7 -1.266 -15.287 -3.429 1.00 0.00 N ATOM 0 H LYS A 7 0.811 -13.854 -5.919 1.00 0.00 H new ATOM 0 HA LYS A 7 0.493 -12.124 -8.060 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -1.798 -13.242 -8.166 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -0.433 -14.340 -8.119 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -1.821 -13.710 -5.523 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -2.651 -14.741 -6.672 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -0.835 -16.385 -6.613 1.00 0.00 H new ATOM 0 HD3 LYS A 7 0.170 -15.318 -5.653 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -2.551 -16.344 -4.703 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -1.043 -17.161 -4.340 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -0.845 -15.816 -2.639 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -0.624 -14.521 -3.714 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -2.176 -14.882 -3.129 1.00 0.00 H new ATOM 123 N GLU A 8 -1.902 -11.276 -5.995 1.00 0.00 N ATOM 124 CA GLU A 8 -2.703 -10.154 -5.515 1.00 0.00 C ATOM 125 C GLU A 8 -1.832 -9.009 -5.015 1.00 0.00 C ATOM 126 O GLU A 8 -2.064 -7.823 -5.264 1.00 0.00 O ATOM 127 CB GLU A 8 -3.631 -10.669 -4.378 1.00 0.00 C ATOM 128 CG GLU A 8 -2.971 -11.064 -3.011 1.00 0.00 C ATOM 129 CD GLU A 8 -2.137 -12.337 -3.018 1.00 0.00 C ATOM 130 OE1 GLU A 8 -1.106 -12.403 -3.685 1.00 0.00 O ATOM 131 OE2 GLU A 8 -2.510 -13.291 -2.339 1.00 0.00 O ATOM 0 H GLU A 8 -2.245 -12.178 -5.666 1.00 0.00 H new ATOM 0 HA GLU A 8 -3.295 -9.761 -6.341 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -4.375 -9.898 -4.179 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -4.168 -11.540 -4.754 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -2.337 -10.240 -2.684 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -3.760 -11.174 -2.267 1.00 0.00 H new ATOM 138 N GLN A 9 -0.806 -9.419 -4.264 1.00 0.00 N ATOM 139 CA GLN A 9 0.206 -8.584 -3.700 1.00 0.00 C ATOM 140 C GLN A 9 0.714 -7.530 -4.679 1.00 0.00 C ATOM 141 O GLN A 9 0.804 -6.349 -4.354 1.00 0.00 O ATOM 142 CB GLN A 9 1.288 -9.521 -3.303 1.00 0.00 C ATOM 143 CG GLN A 9 1.845 -8.931 -2.057 1.00 0.00 C ATOM 144 CD GLN A 9 3.043 -9.607 -1.437 1.00 0.00 C ATOM 145 OE1 GLN A 9 3.941 -10.170 -2.065 1.00 0.00 O ATOM 146 NE2 GLN A 9 2.986 -9.502 -0.126 1.00 0.00 N ATOM 0 H GLN A 9 -0.671 -10.403 -4.032 1.00 0.00 H new ATOM 0 HA GLN A 9 -0.180 -8.010 -2.858 1.00 0.00 H new ATOM 0 HB2 GLN A 9 0.901 -10.525 -3.129 1.00 0.00 H new ATOM 0 HB3 GLN A 9 2.049 -9.602 -4.079 1.00 0.00 H new ATOM 0 HG2 GLN A 9 2.115 -7.896 -2.267 1.00 0.00 H new ATOM 0 HG3 GLN A 9 1.050 -8.908 -1.312 1.00 0.00 H new ATOM 0 HE21 GLN A 9 2.203 -9.017 0.313 1.00 0.00 H new ATOM 0 HE22 GLN A 9 3.724 -9.905 0.451 1.00 0.00 H new ATOM 155 N GLN A 10 1.056 -7.964 -5.895 1.00 0.00 N ATOM 156 CA GLN A 10 1.508 -7.034 -6.915 1.00 0.00 C ATOM 157 C GLN A 10 0.399 -6.095 -7.358 1.00 0.00 C ATOM 158 O GLN A 10 0.651 -4.919 -7.589 1.00 0.00 O ATOM 159 CB GLN A 10 2.163 -7.763 -8.107 1.00 0.00 C ATOM 160 CG GLN A 10 3.679 -7.970 -7.851 1.00 0.00 C ATOM 161 CD GLN A 10 4.411 -6.654 -7.710 1.00 0.00 C ATOM 162 OE1 GLN A 10 4.605 -5.880 -8.640 1.00 0.00 O ATOM 163 NE2 GLN A 10 4.827 -6.373 -6.500 1.00 0.00 N ATOM 0 H GLN A 10 1.027 -8.941 -6.188 1.00 0.00 H new ATOM 0 HA GLN A 10 2.281 -6.414 -6.461 1.00 0.00 H new ATOM 0 HB2 GLN A 10 1.679 -8.728 -8.261 1.00 0.00 H new ATOM 0 HB3 GLN A 10 2.018 -7.184 -9.019 1.00 0.00 H new ATOM 0 HG2 GLN A 10 3.817 -8.561 -6.946 1.00 0.00 H new ATOM 0 HG3 GLN A 10 4.112 -8.540 -8.673 1.00 0.00 H new ATOM 0 HE21 GLN A 10 4.657 -7.029 -5.737 1.00 0.00 H new ATOM 0 HE22 GLN A 10 5.321 -5.499 -6.321 1.00 0.00 H new ATOM 172 N ASN A 11 -0.845 -6.549 -7.484 1.00 0.00 N ATOM 173 CA ASN A 11 -1.941 -5.642 -7.856 1.00 0.00 C ATOM 174 C ASN A 11 -2.038 -4.524 -6.817 1.00 0.00 C ATOM 175 O ASN A 11 -2.116 -3.331 -7.117 1.00 0.00 O ATOM 176 CB ASN A 11 -3.268 -6.419 -7.937 1.00 0.00 C ATOM 177 CG ASN A 11 -3.087 -7.655 -8.792 1.00 0.00 C ATOM 178 OD1 ASN A 11 -2.723 -8.711 -8.298 1.00 0.00 O ATOM 179 ND2 ASN A 11 -3.293 -7.587 -10.092 1.00 0.00 N ATOM 0 H ASN A 11 -1.122 -7.520 -7.338 1.00 0.00 H new ATOM 0 HA ASN A 11 -1.741 -5.207 -8.835 1.00 0.00 H new ATOM 0 HB2 ASN A 11 -3.596 -6.702 -6.937 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -4.047 -5.784 -8.360 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -3.148 -8.411 -10.675 1.00 0.00 H new ATOM 0 HD22 ASN A 11 -3.597 -6.710 -10.515 1.00 0.00 H new ATOM 186 N ALA A 12 -2.014 -4.956 -5.553 1.00 0.00 N ATOM 187 CA ALA A 12 -2.039 -4.053 -4.411 1.00 0.00 C ATOM 188 C ALA A 12 -0.835 -3.111 -4.459 1.00 0.00 C ATOM 189 O ALA A 12 -0.918 -1.928 -4.146 1.00 0.00 O ATOM 190 CB ALA A 12 -2.021 -4.899 -3.122 1.00 0.00 C ATOM 0 H ALA A 12 -1.977 -5.943 -5.298 1.00 0.00 H new ATOM 0 HA ALA A 12 -2.941 -3.442 -4.433 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -2.039 -4.240 -2.254 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -2.895 -5.550 -3.102 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -1.116 -5.506 -3.098 1.00 0.00 H new ATOM 196 N PHE A 13 0.317 -3.648 -4.858 1.00 0.00 N ATOM 197 CA PHE A 13 1.546 -2.880 -5.014 1.00 0.00 C ATOM 198 C PHE A 13 1.311 -1.723 -5.980 1.00 0.00 C ATOM 199 O PHE A 13 1.574 -0.549 -5.707 1.00 0.00 O ATOM 200 CB PHE A 13 2.629 -3.856 -5.493 1.00 0.00 C ATOM 201 CG PHE A 13 4.037 -3.299 -5.519 1.00 0.00 C ATOM 202 CD1 PHE A 13 4.570 -2.648 -6.650 1.00 0.00 C ATOM 203 CD2 PHE A 13 4.824 -3.446 -4.367 1.00 0.00 C ATOM 204 CE1 PHE A 13 5.887 -2.151 -6.615 1.00 0.00 C ATOM 205 CE2 PHE A 13 6.135 -2.950 -4.333 1.00 0.00 C ATOM 206 CZ PHE A 13 6.671 -2.301 -5.458 1.00 0.00 C ATOM 0 H PHE A 13 0.422 -4.637 -5.083 1.00 0.00 H new ATOM 0 HA PHE A 13 1.872 -2.428 -4.077 1.00 0.00 H new ATOM 0 HB2 PHE A 13 2.615 -4.734 -4.847 1.00 0.00 H new ATOM 0 HB3 PHE A 13 2.371 -4.195 -6.497 1.00 0.00 H new ATOM 0 HD1 PHE A 13 3.970 -2.531 -7.540 1.00 0.00 H new ATOM 0 HD2 PHE A 13 4.417 -3.945 -3.500 1.00 0.00 H new ATOM 0 HE1 PHE A 13 6.297 -1.652 -7.481 1.00 0.00 H new ATOM 0 HE2 PHE A 13 6.733 -3.067 -3.441 1.00 0.00 H new ATOM 0 HZ PHE A 13 7.681 -1.919 -5.434 1.00 0.00 H new ATOM 216 N TYR A 14 0.805 -2.087 -7.148 1.00 0.00 N ATOM 217 CA TYR A 14 0.452 -1.110 -8.170 1.00 0.00 C ATOM 218 C TYR A 14 -0.532 -0.091 -7.620 1.00 0.00 C ATOM 219 O TYR A 14 -0.374 1.100 -7.857 1.00 0.00 O ATOM 220 CB TYR A 14 -0.151 -1.838 -9.405 1.00 0.00 C ATOM 221 CG TYR A 14 0.845 -2.531 -10.347 1.00 0.00 C ATOM 222 CD1 TYR A 14 1.751 -1.700 -11.043 1.00 0.00 C ATOM 223 CD2 TYR A 14 0.906 -3.928 -10.559 1.00 0.00 C ATOM 224 CE1 TYR A 14 2.700 -2.242 -11.933 1.00 0.00 C ATOM 225 CE2 TYR A 14 1.854 -4.486 -11.448 1.00 0.00 C ATOM 226 CZ TYR A 14 2.752 -3.639 -12.135 1.00 0.00 C ATOM 227 OH TYR A 14 3.664 -4.172 -12.993 1.00 0.00 O ATOM 0 H TYR A 14 0.628 -3.056 -7.414 1.00 0.00 H new ATOM 0 HA TYR A 14 1.353 -0.578 -8.476 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -0.859 -2.586 -9.048 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -0.720 -1.111 -9.985 1.00 0.00 H new ATOM 0 HD1 TYR A 14 1.716 -0.631 -10.891 1.00 0.00 H new ATOM 0 HD2 TYR A 14 0.220 -4.577 -10.035 1.00 0.00 H new ATOM 0 HE1 TYR A 14 3.384 -1.592 -12.458 1.00 0.00 H new ATOM 0 HE2 TYR A 14 1.891 -5.554 -11.601 1.00 0.00 H new ATOM 0 HH TYR A 14 3.564 -5.147 -13.013 1.00 0.00 H new ATOM 237 N GLU A 15 -1.549 -0.515 -6.871 1.00 0.00 N ATOM 238 CA GLU A 15 -2.490 0.424 -6.277 1.00 0.00 C ATOM 239 C GLU A 15 -1.798 1.397 -5.333 1.00 0.00 C ATOM 240 O GLU A 15 -2.102 2.589 -5.315 1.00 0.00 O ATOM 241 CB GLU A 15 -3.619 -0.349 -5.578 1.00 0.00 C ATOM 242 CG GLU A 15 -4.565 -0.976 -6.632 1.00 0.00 C ATOM 243 CD GLU A 15 -5.281 0.118 -7.411 1.00 0.00 C ATOM 244 OE1 GLU A 15 -6.300 0.613 -6.927 1.00 0.00 O ATOM 245 OE2 GLU A 15 -4.794 0.511 -8.472 1.00 0.00 O ATOM 0 H GLU A 15 -1.739 -1.496 -6.664 1.00 0.00 H new ATOM 0 HA GLU A 15 -2.926 1.030 -7.071 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -3.198 -1.130 -4.945 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -4.180 0.321 -4.927 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -3.994 -1.605 -7.315 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -5.294 -1.619 -6.140 1.00 0.00 H new ATOM 252 N ILE A 16 -0.840 0.898 -4.551 1.00 0.00 N ATOM 253 CA ILE A 16 -0.047 1.703 -3.628 1.00 0.00 C ATOM 254 C ILE A 16 0.666 2.794 -4.426 1.00 0.00 C ATOM 255 O ILE A 16 0.582 3.986 -4.133 1.00 0.00 O ATOM 256 CB ILE A 16 0.886 0.713 -2.873 1.00 0.00 C ATOM 257 CG1 ILE A 16 0.133 0.107 -1.673 1.00 0.00 C ATOM 258 CG2 ILE A 16 2.215 1.330 -2.387 1.00 0.00 C ATOM 259 CD1 ILE A 16 0.777 -1.210 -1.200 1.00 0.00 C ATOM 0 H ILE A 16 -0.591 -0.091 -4.543 1.00 0.00 H new ATOM 0 HA ILE A 16 -0.633 2.234 -2.878 1.00 0.00 H new ATOM 0 HB ILE A 16 1.157 -0.054 -3.599 1.00 0.00 H new ATOM 0 HG12 ILE A 16 0.123 0.823 -0.851 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -0.905 -0.075 -1.950 1.00 0.00 H new ATOM 0 HG21 ILE A 16 2.802 0.570 -1.872 1.00 0.00 H new ATOM 0 HG22 ILE A 16 2.777 1.704 -3.243 1.00 0.00 H new ATOM 0 HG23 ILE A 16 2.006 2.152 -1.703 1.00 0.00 H new ATOM 0 HD11 ILE A 16 0.217 -1.605 -0.353 1.00 0.00 H new ATOM 0 HD12 ILE A 16 0.763 -1.935 -2.014 1.00 0.00 H new ATOM 0 HD13 ILE A 16 1.808 -1.023 -0.898 1.00 0.00 H new ATOM 271 N LEU A 17 1.370 2.391 -5.487 1.00 0.00 N ATOM 272 CA LEU A 17 2.055 3.329 -6.370 1.00 0.00 C ATOM 273 C LEU A 17 1.095 4.330 -7.028 1.00 0.00 C ATOM 274 O LEU A 17 1.407 5.506 -7.241 1.00 0.00 O ATOM 275 CB LEU A 17 2.868 2.553 -7.412 1.00 0.00 C ATOM 276 CG LEU A 17 4.101 1.878 -6.788 1.00 0.00 C ATOM 277 CD1 LEU A 17 4.856 1.119 -7.875 1.00 0.00 C ATOM 278 CD2 LEU A 17 5.048 2.901 -6.139 1.00 0.00 C ATOM 0 H LEU A 17 1.479 1.413 -5.754 1.00 0.00 H new ATOM 0 HA LEU A 17 2.735 3.928 -5.764 1.00 0.00 H new ATOM 0 HB2 LEU A 17 2.236 1.796 -7.876 1.00 0.00 H new ATOM 0 HB3 LEU A 17 3.187 3.232 -8.203 1.00 0.00 H new ATOM 0 HG LEU A 17 3.755 1.199 -6.009 1.00 0.00 H new ATOM 0 HD11 LEU A 17 5.732 0.637 -7.441 1.00 0.00 H new ATOM 0 HD12 LEU A 17 4.204 0.362 -8.310 1.00 0.00 H new ATOM 0 HD13 LEU A 17 5.172 1.815 -8.652 1.00 0.00 H new ATOM 0 HD21 LEU A 17 5.906 2.382 -5.710 1.00 0.00 H new ATOM 0 HD22 LEU A 17 5.392 3.608 -6.894 1.00 0.00 H new ATOM 0 HD23 LEU A 17 4.519 3.439 -5.352 1.00 0.00 H new ATOM 290 N HIS A 18 -0.097 3.840 -7.358 1.00 0.00 N ATOM 291 CA HIS A 18 -1.194 4.599 -7.940 1.00 0.00 C ATOM 292 C HIS A 18 -1.822 5.591 -6.948 1.00 0.00 C ATOM 293 O HIS A 18 -2.600 6.456 -7.358 1.00 0.00 O ATOM 294 CB HIS A 18 -2.186 3.514 -8.432 1.00 0.00 C ATOM 295 CG HIS A 18 -3.452 4.000 -9.123 1.00 0.00 C ATOM 296 ND1 HIS A 18 -4.537 3.258 -9.269 1.00 0.00 N ATOM 297 CD2 HIS A 18 -3.634 5.171 -9.817 1.00 0.00 C ATOM 298 CE1 HIS A 18 -5.362 3.948 -10.018 1.00 0.00 C ATOM 299 NE2 HIS A 18 -4.823 5.095 -10.353 1.00 0.00 N ATOM 0 H HIS A 18 -0.333 2.857 -7.219 1.00 0.00 H new ATOM 0 HA HIS A 18 -0.864 5.244 -8.755 1.00 0.00 H new ATOM 0 HB2 HIS A 18 -1.655 2.856 -9.120 1.00 0.00 H new ATOM 0 HB3 HIS A 18 -2.479 2.908 -7.574 1.00 0.00 H new ATOM 0 HD1 HIS A 18 -4.700 2.331 -8.876 1.00 0.00 H new ATOM 0 HD2 HIS A 18 -2.935 5.990 -9.902 1.00 0.00 H new ATOM 0 HE1 HIS A 18 -6.346 3.618 -10.317 1.00 0.00 H new ATOM 307 N LEU A 19 -1.521 5.534 -5.641 1.00 0.00 N ATOM 308 CA LEU A 19 -2.137 6.443 -4.676 1.00 0.00 C ATOM 309 C LEU A 19 -1.816 7.932 -4.920 1.00 0.00 C ATOM 310 O LEU A 19 -0.648 8.313 -4.997 1.00 0.00 O ATOM 311 CB LEU A 19 -1.713 6.021 -3.254 1.00 0.00 C ATOM 312 CG LEU A 19 -2.258 4.690 -2.779 1.00 0.00 C ATOM 313 CD1 LEU A 19 -1.629 4.298 -1.445 1.00 0.00 C ATOM 314 CD2 LEU A 19 -3.786 4.640 -2.662 1.00 0.00 C ATOM 0 H LEU A 19 -0.860 4.872 -5.236 1.00 0.00 H new ATOM 0 HA LEU A 19 -3.217 6.360 -4.800 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -0.624 5.983 -3.215 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -2.030 6.794 -2.555 1.00 0.00 H new ATOM 0 HG LEU A 19 -1.985 3.973 -3.554 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -2.033 3.339 -1.120 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -0.549 4.215 -1.563 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -1.856 5.059 -0.698 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -4.092 3.653 -2.316 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -4.121 5.394 -1.950 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -4.232 4.838 -3.637 1.00 0.00 H new ATOM 326 N PRO A 20 -2.805 8.831 -5.061 1.00 0.00 N ATOM 327 CA PRO A 20 -2.579 10.255 -5.334 1.00 0.00 C ATOM 328 C PRO A 20 -1.977 11.106 -4.212 1.00 0.00 C ATOM 329 O PRO A 20 -1.158 11.976 -4.500 1.00 0.00 O ATOM 330 CB PRO A 20 -3.963 10.745 -5.768 1.00 0.00 C ATOM 331 CG PRO A 20 -4.899 9.847 -4.982 1.00 0.00 C ATOM 332 CD PRO A 20 -4.227 8.488 -5.129 1.00 0.00 C ATOM 0 HA PRO A 20 -1.795 10.367 -6.083 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -4.114 11.797 -5.526 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -4.110 10.641 -6.843 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -4.978 10.153 -3.939 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -5.909 9.850 -5.393 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -4.518 7.803 -4.333 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -4.484 8.008 -6.073 1.00 0.00 H new ATOM 340 N ASN A 21 -2.333 10.912 -2.937 1.00 0.00 N ATOM 341 CA ASN A 21 -1.802 11.751 -1.853 1.00 0.00 C ATOM 342 C ASN A 21 -0.717 11.113 -1.002 1.00 0.00 C ATOM 343 O ASN A 21 0.035 11.700 -0.229 1.00 0.00 O ATOM 344 CB ASN A 21 -2.938 12.305 -0.966 1.00 0.00 C ATOM 345 CG ASN A 21 -4.133 12.794 -1.771 1.00 0.00 C ATOM 346 OD1 ASN A 21 -4.198 13.892 -2.309 1.00 0.00 O ATOM 347 ND2 ASN A 21 -5.147 11.955 -1.834 1.00 0.00 N ATOM 0 H ASN A 21 -2.982 10.187 -2.630 1.00 0.00 H new ATOM 0 HA ASN A 21 -1.305 12.572 -2.369 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -3.265 11.528 -0.276 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -2.553 13.126 -0.362 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -5.996 12.218 -2.334 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -5.083 11.043 -1.382 1.00 0.00 H new ATOM 354 N LEU A 22 -0.690 9.825 -1.202 1.00 0.00 N ATOM 355 CA LEU A 22 0.267 8.943 -0.574 1.00 0.00 C ATOM 356 C LEU A 22 1.458 8.846 -1.505 1.00 0.00 C ATOM 357 O LEU A 22 1.343 8.454 -2.663 1.00 0.00 O ATOM 358 CB LEU A 22 -0.357 7.600 -0.252 1.00 0.00 C ATOM 359 CG LEU A 22 0.586 6.896 0.704 1.00 0.00 C ATOM 360 CD1 LEU A 22 -0.213 6.185 1.797 1.00 0.00 C ATOM 361 CD2 LEU A 22 1.455 5.887 -0.012 1.00 0.00 C ATOM 0 H LEU A 22 -1.345 9.344 -1.819 1.00 0.00 H new ATOM 0 HA LEU A 22 0.598 9.334 0.388 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -1.340 7.729 0.200 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -0.498 7.012 -1.159 1.00 0.00 H new ATOM 0 HG LEU A 22 1.233 7.654 1.146 1.00 0.00 H new ATOM 0 HD11 LEU A 22 0.472 5.682 2.479 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -0.804 6.916 2.349 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -0.877 5.450 1.342 1.00 0.00 H new ATOM 0 HD21 LEU A 22 2.117 5.403 0.706 1.00 0.00 H new ATOM 0 HD22 LEU A 22 0.824 5.136 -0.487 1.00 0.00 H new ATOM 0 HD23 LEU A 22 2.051 6.394 -0.771 1.00 0.00 H new ATOM 373 N ASN A 23 2.636 9.178 -1.003 1.00 0.00 N ATOM 374 CA ASN A 23 3.834 9.193 -1.849 1.00 0.00 C ATOM 375 C ASN A 23 5.183 8.923 -1.189 1.00 0.00 C ATOM 376 O ASN A 23 6.087 8.338 -1.777 1.00 0.00 O ATOM 377 CB ASN A 23 3.837 10.587 -2.535 1.00 0.00 C ATOM 378 CG ASN A 23 3.882 11.706 -1.505 1.00 0.00 C ATOM 379 OD1 ASN A 23 4.896 12.376 -1.369 1.00 0.00 O ATOM 380 ND2 ASN A 23 2.838 11.965 -0.732 1.00 0.00 N ATOM 0 H ASN A 23 2.795 9.438 -0.030 1.00 0.00 H new ATOM 0 HA ASN A 23 3.751 8.344 -2.528 1.00 0.00 H new ATOM 0 HB2 ASN A 23 4.697 10.666 -3.200 1.00 0.00 H new ATOM 0 HB3 ASN A 23 2.945 10.693 -3.153 1.00 0.00 H new ATOM 0 HD21 ASN A 23 2.889 12.712 -0.039 1.00 0.00 H new ATOM 0 HD22 ASN A 23 1.983 11.418 -0.830 1.00 0.00 H new ATOM 387 N GLU A 24 5.280 9.389 0.044 1.00 0.00 N ATOM 388 CA GLU A 24 6.408 9.361 0.926 1.00 0.00 C ATOM 389 C GLU A 24 6.731 8.006 1.568 1.00 0.00 C ATOM 390 O GLU A 24 6.765 6.905 1.015 1.00 0.00 O ATOM 391 CB GLU A 24 6.002 10.502 1.924 1.00 0.00 C ATOM 392 CG GLU A 24 4.797 10.123 2.895 1.00 0.00 C ATOM 393 CD GLU A 24 3.612 9.465 2.188 1.00 0.00 C ATOM 394 OE1 GLU A 24 3.597 8.254 1.987 1.00 0.00 O ATOM 395 OE2 GLU A 24 2.744 10.178 1.704 1.00 0.00 O ATOM 0 H GLU A 24 4.480 9.841 0.487 1.00 0.00 H new ATOM 0 HA GLU A 24 7.363 9.517 0.425 1.00 0.00 H new ATOM 0 HB2 GLU A 24 6.870 10.767 2.527 1.00 0.00 H new ATOM 0 HB3 GLU A 24 5.728 11.389 1.352 1.00 0.00 H new ATOM 0 HG2 GLU A 24 5.165 9.449 3.668 1.00 0.00 H new ATOM 0 HG3 GLU A 24 4.451 11.026 3.398 1.00 0.00 H new ATOM 402 N GLU A 25 6.923 8.204 2.854 1.00 0.00 N ATOM 403 CA GLU A 25 7.303 7.190 3.813 1.00 0.00 C ATOM 404 C GLU A 25 6.210 6.165 4.046 1.00 0.00 C ATOM 405 O GLU A 25 6.489 5.019 4.399 1.00 0.00 O ATOM 406 CB GLU A 25 7.778 7.848 5.121 1.00 0.00 C ATOM 407 CG GLU A 25 9.177 8.504 4.950 1.00 0.00 C ATOM 408 CD GLU A 25 10.276 7.466 4.768 1.00 0.00 C ATOM 409 OE1 GLU A 25 10.537 7.067 3.633 1.00 0.00 O ATOM 410 OE2 GLU A 25 10.862 7.056 5.767 1.00 0.00 O ATOM 0 H GLU A 25 6.813 9.124 3.281 1.00 0.00 H new ATOM 0 HA GLU A 25 8.138 6.630 3.392 1.00 0.00 H new ATOM 0 HB2 GLU A 25 7.056 8.603 5.433 1.00 0.00 H new ATOM 0 HB3 GLU A 25 7.820 7.100 5.912 1.00 0.00 H new ATOM 0 HG2 GLU A 25 9.162 9.171 4.088 1.00 0.00 H new ATOM 0 HG3 GLU A 25 9.399 9.117 5.823 1.00 0.00 H new ATOM 417 N GLN A 26 4.943 6.535 3.839 1.00 0.00 N ATOM 418 CA GLN A 26 3.861 5.588 3.996 1.00 0.00 C ATOM 419 C GLN A 26 4.024 4.614 2.834 1.00 0.00 C ATOM 420 O GLN A 26 4.062 3.398 3.009 1.00 0.00 O ATOM 421 CB GLN A 26 2.486 6.310 3.987 1.00 0.00 C ATOM 422 CG GLN A 26 2.462 7.549 4.924 1.00 0.00 C ATOM 423 CD GLN A 26 1.178 8.355 4.792 1.00 0.00 C ATOM 424 OE1 GLN A 26 0.412 8.461 5.739 1.00 0.00 O ATOM 425 NE2 GLN A 26 0.820 8.987 3.697 1.00 0.00 N ATOM 0 H GLN A 26 4.654 7.474 3.566 1.00 0.00 H new ATOM 0 HA GLN A 26 3.894 5.064 4.951 1.00 0.00 H new ATOM 0 HB2 GLN A 26 2.249 6.622 2.970 1.00 0.00 H new ATOM 0 HB3 GLN A 26 1.709 5.610 4.295 1.00 0.00 H new ATOM 0 HG2 GLN A 26 2.577 7.221 5.957 1.00 0.00 H new ATOM 0 HG3 GLN A 26 3.314 8.189 4.696 1.00 0.00 H new ATOM 0 HE21 GLN A 26 1.411 8.943 2.867 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -0.049 9.521 3.677 1.00 0.00 H new ATOM 434 N ARG A 27 4.160 5.197 1.634 1.00 0.00 N ATOM 435 CA ARG A 27 4.382 4.450 0.390 1.00 0.00 C ATOM 436 C ARG A 27 5.490 3.426 0.566 1.00 0.00 C ATOM 437 O ARG A 27 5.347 2.242 0.260 1.00 0.00 O ATOM 438 CB ARG A 27 4.784 5.428 -0.713 1.00 0.00 C ATOM 439 CG ARG A 27 4.664 4.912 -2.161 1.00 0.00 C ATOM 440 CD ARG A 27 3.233 4.864 -2.696 1.00 0.00 C ATOM 441 NE ARG A 27 2.849 6.178 -3.214 1.00 0.00 N ATOM 442 CZ ARG A 27 2.557 6.349 -4.482 1.00 0.00 C ATOM 443 NH1 ARG A 27 3.399 6.057 -5.419 1.00 0.00 N ATOM 444 NH2 ARG A 27 1.409 6.814 -4.827 1.00 0.00 N ATOM 0 H ARG A 27 4.119 6.207 1.500 1.00 0.00 H new ATOM 0 HA ARG A 27 3.461 3.930 0.126 1.00 0.00 H new ATOM 0 HB2 ARG A 27 4.170 6.323 -0.617 1.00 0.00 H new ATOM 0 HB3 ARG A 27 5.817 5.730 -0.542 1.00 0.00 H new ATOM 0 HG2 ARG A 27 5.261 5.550 -2.812 1.00 0.00 H new ATOM 0 HG3 ARG A 27 5.093 3.911 -2.214 1.00 0.00 H new ATOM 0 HD2 ARG A 27 3.156 4.116 -3.485 1.00 0.00 H new ATOM 0 HD3 ARG A 27 2.549 4.562 -1.903 1.00 0.00 H new ATOM 0 HE ARG A 27 2.808 6.975 -2.578 1.00 0.00 H new ATOM 0 HH11 ARG A 27 4.318 5.683 -5.181 1.00 0.00 H new ATOM 0 HH12 ARG A 27 3.144 6.200 -6.396 1.00 0.00 H new ATOM 0 HH21 ARG A 27 0.720 7.052 -4.114 1.00 0.00 H new ATOM 0 HH22 ARG A 27 1.187 6.945 -5.814 1.00 0.00 H new ATOM 458 N ASN A 28 6.611 3.935 1.070 1.00 0.00 N ATOM 459 CA ASN A 28 7.779 3.106 1.360 1.00 0.00 C ATOM 460 C ASN A 28 7.485 2.005 2.374 1.00 0.00 C ATOM 461 O ASN A 28 7.764 0.833 2.129 1.00 0.00 O ATOM 462 CB ASN A 28 8.937 3.988 1.864 1.00 0.00 C ATOM 463 CG ASN A 28 9.420 4.886 0.744 1.00 0.00 C ATOM 464 OD1 ASN A 28 9.598 4.466 -0.392 1.00 0.00 O ATOM 465 ND2 ASN A 28 9.643 6.155 1.013 1.00 0.00 N ATOM 0 H ASN A 28 6.736 4.924 1.287 1.00 0.00 H new ATOM 0 HA ASN A 28 8.061 2.615 0.429 1.00 0.00 H new ATOM 0 HB2 ASN A 28 8.606 4.591 2.710 1.00 0.00 H new ATOM 0 HB3 ASN A 28 9.755 3.362 2.220 1.00 0.00 H new ATOM 0 HD21 ASN A 28 9.963 6.784 0.276 1.00 0.00 H new ATOM 0 HD22 ASN A 28 9.496 6.509 1.958 1.00 0.00 H new ATOM 472 N ALA A 29 6.901 2.350 3.525 1.00 0.00 N ATOM 473 CA ALA A 29 6.582 1.385 4.573 1.00 0.00 C ATOM 474 C ALA A 29 5.713 0.254 4.025 1.00 0.00 C ATOM 475 O ALA A 29 5.923 -0.923 4.311 1.00 0.00 O ATOM 476 CB ALA A 29 5.893 2.137 5.721 1.00 0.00 C ATOM 0 H ALA A 29 6.637 3.308 3.754 1.00 0.00 H new ATOM 0 HA ALA A 29 7.492 0.917 4.948 1.00 0.00 H new ATOM 0 HB1 ALA A 29 5.644 1.436 6.518 1.00 0.00 H new ATOM 0 HB2 ALA A 29 6.564 2.903 6.108 1.00 0.00 H new ATOM 0 HB3 ALA A 29 4.981 2.606 5.353 1.00 0.00 H new ATOM 482 N PHE A 30 4.705 0.607 3.226 1.00 0.00 N ATOM 483 CA PHE A 30 3.848 -0.377 2.590 1.00 0.00 C ATOM 484 C PHE A 30 4.637 -1.175 1.559 1.00 0.00 C ATOM 485 O PHE A 30 4.569 -2.396 1.577 1.00 0.00 O ATOM 486 CB PHE A 30 2.596 0.274 1.975 1.00 0.00 C ATOM 487 CG PHE A 30 1.779 0.696 3.191 1.00 0.00 C ATOM 488 CD1 PHE A 30 1.276 -0.309 4.056 1.00 0.00 C ATOM 489 CD2 PHE A 30 1.512 2.028 3.491 1.00 0.00 C ATOM 490 CE1 PHE A 30 0.523 0.015 5.197 1.00 0.00 C ATOM 491 CE2 PHE A 30 0.765 2.354 4.627 1.00 0.00 C ATOM 492 CZ PHE A 30 0.266 1.364 5.487 1.00 0.00 C ATOM 0 H PHE A 30 4.467 1.574 3.007 1.00 0.00 H new ATOM 0 HA PHE A 30 3.495 -1.069 3.355 1.00 0.00 H new ATOM 0 HB2 PHE A 30 2.854 1.128 1.349 1.00 0.00 H new ATOM 0 HB3 PHE A 30 2.047 -0.427 1.346 1.00 0.00 H new ATOM 0 HD1 PHE A 30 1.476 -1.347 3.833 1.00 0.00 H new ATOM 0 HD2 PHE A 30 1.882 2.811 2.846 1.00 0.00 H new ATOM 0 HE1 PHE A 30 0.147 -0.764 5.843 1.00 0.00 H new ATOM 0 HE2 PHE A 30 0.567 3.393 4.848 1.00 0.00 H new ATOM 0 HZ PHE A 30 -0.308 1.636 6.360 1.00 0.00 H new ATOM 502 N ILE A 31 5.403 -0.572 0.646 1.00 0.00 N ATOM 503 CA ILE A 31 6.207 -1.334 -0.322 1.00 0.00 C ATOM 504 C ILE A 31 7.094 -2.388 0.351 1.00 0.00 C ATOM 505 O ILE A 31 7.151 -3.556 -0.043 1.00 0.00 O ATOM 506 CB ILE A 31 7.023 -0.321 -1.173 1.00 0.00 C ATOM 507 CG1 ILE A 31 6.072 0.296 -2.223 1.00 0.00 C ATOM 508 CG2 ILE A 31 8.323 -0.903 -1.781 1.00 0.00 C ATOM 509 CD1 ILE A 31 6.773 1.225 -3.219 1.00 0.00 C ATOM 0 H ILE A 31 5.485 0.441 0.554 1.00 0.00 H new ATOM 0 HA ILE A 31 5.546 -1.906 -0.974 1.00 0.00 H new ATOM 0 HB ILE A 31 7.399 0.464 -0.517 1.00 0.00 H new ATOM 0 HG12 ILE A 31 5.582 -0.508 -2.773 1.00 0.00 H new ATOM 0 HG13 ILE A 31 5.290 0.854 -1.708 1.00 0.00 H new ATOM 0 HG21 ILE A 31 8.831 -0.131 -2.359 1.00 0.00 H new ATOM 0 HG22 ILE A 31 8.977 -1.247 -0.980 1.00 0.00 H new ATOM 0 HG23 ILE A 31 8.076 -1.741 -2.433 1.00 0.00 H new ATOM 0 HD11 ILE A 31 6.042 1.620 -3.925 1.00 0.00 H new ATOM 0 HD12 ILE A 31 7.240 2.050 -2.681 1.00 0.00 H new ATOM 0 HD13 ILE A 31 7.536 0.667 -3.761 1.00 0.00 H new ATOM 521 N GLN A 32 7.787 -1.974 1.411 1.00 0.00 N ATOM 522 CA GLN A 32 8.640 -2.807 2.212 1.00 0.00 C ATOM 523 C GLN A 32 7.815 -3.896 2.907 1.00 0.00 C ATOM 524 O GLN A 32 8.148 -5.085 2.880 1.00 0.00 O ATOM 525 CB GLN A 32 9.306 -1.724 3.094 1.00 0.00 C ATOM 526 CG GLN A 32 9.665 -2.150 4.461 1.00 0.00 C ATOM 527 CD GLN A 32 10.824 -3.103 4.568 1.00 0.00 C ATOM 528 OE1 GLN A 32 11.938 -2.752 4.925 1.00 0.00 O ATOM 529 NE2 GLN A 32 10.566 -4.358 4.306 1.00 0.00 N ATOM 0 H GLN A 32 7.758 -1.008 1.736 1.00 0.00 H new ATOM 0 HA GLN A 32 9.392 -3.417 1.713 1.00 0.00 H new ATOM 0 HB2 GLN A 32 10.209 -1.376 2.592 1.00 0.00 H new ATOM 0 HB3 GLN A 32 8.631 -0.871 3.164 1.00 0.00 H new ATOM 0 HG2 GLN A 32 9.894 -1.262 5.049 1.00 0.00 H new ATOM 0 HG3 GLN A 32 8.792 -2.617 4.916 1.00 0.00 H new ATOM 0 HE21 GLN A 32 9.630 -4.635 4.009 1.00 0.00 H new ATOM 0 HE22 GLN A 32 11.300 -5.060 4.399 1.00 0.00 H new ATOM 538 N SER A 33 6.711 -3.505 3.552 1.00 0.00 N ATOM 539 CA SER A 33 5.848 -4.486 4.192 1.00 0.00 C ATOM 540 C SER A 33 5.361 -5.493 3.164 1.00 0.00 C ATOM 541 O SER A 33 5.229 -6.652 3.512 1.00 0.00 O ATOM 542 CB SER A 33 4.655 -3.898 4.927 1.00 0.00 C ATOM 543 OG SER A 33 4.062 -5.012 5.588 1.00 0.00 O ATOM 0 H SER A 33 6.404 -2.536 3.641 1.00 0.00 H new ATOM 0 HA SER A 33 6.464 -4.965 4.953 1.00 0.00 H new ATOM 0 HB2 SER A 33 4.965 -3.132 5.638 1.00 0.00 H new ATOM 0 HB3 SER A 33 3.955 -3.427 4.236 1.00 0.00 H new ATOM 0 HG SER A 33 3.277 -4.713 6.092 1.00 0.00 H new ATOM 549 N LEU A 34 5.061 -5.119 1.917 1.00 0.00 N ATOM 550 CA LEU A 34 4.660 -6.071 0.896 1.00 0.00 C ATOM 551 C LEU A 34 5.855 -6.983 0.607 1.00 0.00 C ATOM 552 O LEU A 34 5.712 -8.195 0.453 1.00 0.00 O ATOM 553 CB LEU A 34 4.148 -5.351 -0.380 1.00 0.00 C ATOM 554 CG LEU A 34 2.635 -5.069 -0.351 1.00 0.00 C ATOM 555 CD1 LEU A 34 2.191 -4.067 0.721 1.00 0.00 C ATOM 556 CD2 LEU A 34 2.192 -4.523 -1.701 1.00 0.00 C ATOM 0 H LEU A 34 5.091 -4.152 1.595 1.00 0.00 H new ATOM 0 HA LEU A 34 3.824 -6.673 1.250 1.00 0.00 H new ATOM 0 HB2 LEU A 34 4.684 -4.409 -0.498 1.00 0.00 H new ATOM 0 HB3 LEU A 34 4.381 -5.962 -1.252 1.00 0.00 H new ATOM 0 HG LEU A 34 2.171 -6.026 -0.113 1.00 0.00 H new ATOM 0 HD11 LEU A 34 1.111 -3.931 0.667 1.00 0.00 H new ATOM 0 HD12 LEU A 34 2.460 -4.446 1.707 1.00 0.00 H new ATOM 0 HD13 LEU A 34 2.686 -3.111 0.553 1.00 0.00 H new ATOM 0 HD21 LEU A 34 1.121 -4.324 -1.679 1.00 0.00 H new ATOM 0 HD22 LEU A 34 2.729 -3.598 -1.913 1.00 0.00 H new ATOM 0 HD23 LEU A 34 2.409 -5.255 -2.479 1.00 0.00 H new ATOM 568 N LYS A 35 7.077 -6.433 0.536 1.00 0.00 N ATOM 569 CA LYS A 35 8.264 -7.256 0.317 1.00 0.00 C ATOM 570 C LYS A 35 8.347 -8.364 1.374 1.00 0.00 C ATOM 571 O LYS A 35 8.682 -9.512 1.081 1.00 0.00 O ATOM 572 CB LYS A 35 9.536 -6.373 0.307 1.00 0.00 C ATOM 573 CG LYS A 35 10.826 -7.220 0.180 1.00 0.00 C ATOM 574 CD LYS A 35 11.541 -7.359 1.545 1.00 0.00 C ATOM 575 CE LYS A 35 12.299 -8.686 1.694 1.00 0.00 C ATOM 576 NZ LYS A 35 11.357 -9.730 2.058 1.00 0.00 N ATOM 0 H LYS A 35 7.263 -5.434 0.626 1.00 0.00 H new ATOM 0 HA LYS A 35 8.190 -7.737 -0.658 1.00 0.00 H new ATOM 0 HB2 LYS A 35 9.482 -5.668 -0.522 1.00 0.00 H new ATOM 0 HB3 LYS A 35 9.577 -5.785 1.224 1.00 0.00 H new ATOM 0 HG2 LYS A 35 10.578 -8.209 -0.206 1.00 0.00 H new ATOM 0 HG3 LYS A 35 11.499 -6.756 -0.541 1.00 0.00 H new ATOM 0 HD2 LYS A 35 12.240 -6.532 1.668 1.00 0.00 H new ATOM 0 HD3 LYS A 35 10.805 -7.276 2.344 1.00 0.00 H new ATOM 0 HE2 LYS A 35 12.800 -8.940 0.760 1.00 0.00 H new ATOM 0 HE3 LYS A 35 13.073 -8.594 2.456 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 11.705 -10.647 1.714 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 11.258 -9.763 3.093 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 10.432 -9.528 1.628 1.00 0.00 H new ATOM 590 N ASP A 36 8.061 -8.047 2.634 1.00 0.00 N ATOM 591 CA ASP A 36 8.059 -9.048 3.709 1.00 0.00 C ATOM 592 C ASP A 36 6.779 -9.874 3.889 1.00 0.00 C ATOM 593 O ASP A 36 6.826 -11.026 4.329 1.00 0.00 O ATOM 594 CB ASP A 36 8.528 -8.358 5.003 1.00 0.00 C ATOM 595 CG ASP A 36 10.023 -8.140 4.894 1.00 0.00 C ATOM 596 OD1 ASP A 36 10.759 -9.120 4.774 1.00 0.00 O ATOM 597 OD2 ASP A 36 10.452 -6.996 4.868 1.00 0.00 O ATOM 0 H ASP A 36 7.826 -7.103 2.941 1.00 0.00 H new ATOM 0 HA ASP A 36 8.758 -9.830 3.410 1.00 0.00 H new ATOM 0 HB2 ASP A 36 8.012 -7.407 5.138 1.00 0.00 H new ATOM 0 HB3 ASP A 36 8.294 -8.974 5.871 1.00 0.00 H new ATOM 602 N ASP A 37 5.621 -9.340 3.525 1.00 0.00 N ATOM 603 CA ASP A 37 4.310 -9.963 3.651 1.00 0.00 C ATOM 604 C ASP A 37 3.926 -11.003 2.585 1.00 0.00 C ATOM 605 O ASP A 37 4.614 -11.133 1.563 1.00 0.00 O ATOM 606 CB ASP A 37 3.341 -8.800 3.651 1.00 0.00 C ATOM 607 CG ASP A 37 1.886 -9.196 3.769 1.00 0.00 C ATOM 608 OD1 ASP A 37 1.256 -9.480 2.753 1.00 0.00 O ATOM 609 OD2 ASP A 37 1.394 -9.229 4.885 1.00 0.00 O ATOM 0 H ASP A 37 5.568 -8.409 3.111 1.00 0.00 H new ATOM 0 HA ASP A 37 4.298 -10.568 4.558 1.00 0.00 H new ATOM 0 HB2 ASP A 37 3.592 -8.135 4.477 1.00 0.00 H new ATOM 0 HB3 ASP A 37 3.476 -8.231 2.731 1.00 0.00 H new ATOM 614 N PRO A 38 2.942 -11.883 2.864 1.00 0.00 N ATOM 615 CA PRO A 38 2.448 -12.862 1.900 1.00 0.00 C ATOM 616 C PRO A 38 1.102 -12.409 1.294 1.00 0.00 C ATOM 617 O PRO A 38 1.082 -11.721 0.270 1.00 0.00 O ATOM 618 CB PRO A 38 2.388 -14.141 2.739 1.00 0.00 C ATOM 619 CG PRO A 38 1.937 -13.650 4.101 1.00 0.00 C ATOM 620 CD PRO A 38 2.528 -12.238 4.225 1.00 0.00 C ATOM 0 HA PRO A 38 3.069 -13.001 1.015 1.00 0.00 H new ATOM 0 HB2 PRO A 38 1.687 -14.863 2.320 1.00 0.00 H new ATOM 0 HB3 PRO A 38 3.359 -14.633 2.791 1.00 0.00 H new ATOM 0 HG2 PRO A 38 0.850 -13.631 4.175 1.00 0.00 H new ATOM 0 HG3 PRO A 38 2.299 -14.302 4.896 1.00 0.00 H new ATOM 0 HD2 PRO A 38 1.791 -11.533 4.610 1.00 0.00 H new ATOM 0 HD3 PRO A 38 3.374 -12.222 4.912 1.00 0.00 H new ATOM 628 N SER A 39 -0.053 -12.804 1.846 1.00 0.00 N ATOM 629 CA SER A 39 -1.370 -12.378 1.360 1.00 0.00 C ATOM 630 C SER A 39 -2.053 -11.277 2.189 1.00 0.00 C ATOM 631 O SER A 39 -3.042 -10.678 1.758 1.00 0.00 O ATOM 632 CB SER A 39 -2.287 -13.609 1.244 1.00 0.00 C ATOM 633 OG SER A 39 -3.375 -13.324 0.373 1.00 0.00 O ATOM 0 H SER A 39 -0.099 -13.433 2.648 1.00 0.00 H new ATOM 0 HA SER A 39 -1.196 -11.920 0.386 1.00 0.00 H new ATOM 0 HB2 SER A 39 -1.721 -14.460 0.866 1.00 0.00 H new ATOM 0 HB3 SER A 39 -2.662 -13.888 2.229 1.00 0.00 H new ATOM 0 HG SER A 39 -3.058 -13.315 -0.554 1.00 0.00 H new ATOM 639 N GLN A 40 -1.571 -10.920 3.387 1.00 0.00 N ATOM 640 CA GLN A 40 -2.246 -9.916 4.217 1.00 0.00 C ATOM 641 C GLN A 40 -2.202 -8.486 3.666 1.00 0.00 C ATOM 642 O GLN A 40 -2.873 -7.579 4.168 1.00 0.00 O ATOM 643 CB GLN A 40 -1.700 -10.014 5.659 1.00 0.00 C ATOM 644 CG GLN A 40 -2.267 -11.219 6.458 1.00 0.00 C ATOM 645 CD GLN A 40 -2.067 -12.557 5.759 1.00 0.00 C ATOM 646 OE1 GLN A 40 -0.962 -12.981 5.440 1.00 0.00 O ATOM 647 NE2 GLN A 40 -3.129 -13.284 5.471 1.00 0.00 N ATOM 0 H GLN A 40 -0.723 -11.308 3.800 1.00 0.00 H new ATOM 0 HA GLN A 40 -3.311 -10.150 4.207 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -0.613 -10.092 5.623 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -1.936 -9.093 6.191 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -1.788 -11.254 7.437 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -3.332 -11.063 6.629 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -4.059 -12.952 5.727 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -3.020 -14.178 4.993 1.00 0.00 H new ATOM 656 N SER A 41 -1.405 -8.307 2.611 1.00 0.00 N ATOM 657 CA SER A 41 -1.245 -7.048 1.874 1.00 0.00 C ATOM 658 C SER A 41 -2.574 -6.346 1.630 1.00 0.00 C ATOM 659 O SER A 41 -2.630 -5.121 1.657 1.00 0.00 O ATOM 660 CB SER A 41 -0.611 -7.327 0.497 1.00 0.00 C ATOM 661 OG SER A 41 0.738 -7.765 0.610 1.00 0.00 O ATOM 0 H SER A 41 -0.832 -9.060 2.231 1.00 0.00 H new ATOM 0 HA SER A 41 -0.611 -6.406 2.486 1.00 0.00 H new ATOM 0 HB2 SER A 41 -1.196 -8.085 -0.024 1.00 0.00 H new ATOM 0 HB3 SER A 41 -0.649 -6.422 -0.110 1.00 0.00 H new ATOM 0 HG SER A 41 0.840 -8.305 1.421 1.00 0.00 H new ATOM 667 N ALA A 42 -3.667 -7.080 1.403 1.00 0.00 N ATOM 668 CA ALA A 42 -4.979 -6.462 1.195 1.00 0.00 C ATOM 669 C ALA A 42 -5.351 -5.460 2.298 1.00 0.00 C ATOM 670 O ALA A 42 -5.889 -4.370 2.077 1.00 0.00 O ATOM 671 CB ALA A 42 -6.018 -7.594 1.111 1.00 0.00 C ATOM 0 H ALA A 42 -3.669 -8.099 1.359 1.00 0.00 H new ATOM 0 HA ALA A 42 -4.954 -5.883 0.272 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -7.009 -7.167 0.956 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -5.772 -8.253 0.278 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -6.010 -8.165 2.040 1.00 0.00 H new ATOM 677 N ASN A 43 -5.017 -5.828 3.534 1.00 0.00 N ATOM 678 CA ASN A 43 -5.303 -5.001 4.702 1.00 0.00 C ATOM 679 C ASN A 43 -4.356 -3.801 4.667 1.00 0.00 C ATOM 680 O ASN A 43 -4.742 -2.646 4.833 1.00 0.00 O ATOM 681 CB ASN A 43 -5.142 -5.863 5.976 1.00 0.00 C ATOM 682 CG ASN A 43 -5.999 -7.114 5.872 1.00 0.00 C ATOM 683 OD1 ASN A 43 -7.126 -7.184 6.349 1.00 0.00 O ATOM 684 ND2 ASN A 43 -5.491 -8.151 5.237 1.00 0.00 N ATOM 0 H ASN A 43 -4.543 -6.704 3.752 1.00 0.00 H new ATOM 0 HA ASN A 43 -6.326 -4.624 4.701 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -4.096 -6.139 6.108 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -5.432 -5.286 6.854 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -6.035 -9.009 5.144 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -4.554 -8.096 4.839 1.00 0.00 H new ATOM 691 N LEU A 44 -3.078 -4.104 4.415 1.00 0.00 N ATOM 692 CA LEU A 44 -2.024 -3.094 4.281 1.00 0.00 C ATOM 693 C LEU A 44 -2.312 -2.046 3.198 1.00 0.00 C ATOM 694 O LEU A 44 -1.937 -0.872 3.242 1.00 0.00 O ATOM 695 CB LEU A 44 -0.666 -3.801 4.024 1.00 0.00 C ATOM 696 CG LEU A 44 -0.470 -5.221 4.569 1.00 0.00 C ATOM 697 CD1 LEU A 44 0.944 -5.708 4.204 1.00 0.00 C ATOM 698 CD2 LEU A 44 -0.562 -5.204 6.096 1.00 0.00 C ATOM 0 H LEU A 44 -2.745 -5.061 4.298 1.00 0.00 H new ATOM 0 HA LEU A 44 -1.986 -2.539 5.219 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -0.507 -3.834 2.946 1.00 0.00 H new ATOM 0 HB3 LEU A 44 0.120 -3.173 4.443 1.00 0.00 H new ATOM 0 HG LEU A 44 -1.235 -5.871 4.144 1.00 0.00 H new ATOM 0 HD11 LEU A 44 1.092 -6.717 4.588 1.00 0.00 H new ATOM 0 HD12 LEU A 44 1.059 -5.712 3.120 1.00 0.00 H new ATOM 0 HD13 LEU A 44 1.684 -5.040 4.645 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -0.422 -6.214 6.480 1.00 0.00 H new ATOM 0 HD22 LEU A 44 0.212 -4.552 6.500 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -1.542 -4.833 6.397 1.00 0.00 H new ATOM 710 N LEU A 45 -3.052 -2.520 2.212 1.00 0.00 N ATOM 711 CA LEU A 45 -3.444 -1.759 1.039 1.00 0.00 C ATOM 712 C LEU A 45 -4.566 -0.848 1.475 1.00 0.00 C ATOM 713 O LEU A 45 -4.541 0.358 1.246 1.00 0.00 O ATOM 714 CB LEU A 45 -3.864 -2.684 -0.111 1.00 0.00 C ATOM 715 CG LEU A 45 -4.446 -1.921 -1.321 1.00 0.00 C ATOM 716 CD1 LEU A 45 -3.434 -0.928 -1.920 1.00 0.00 C ATOM 717 CD2 LEU A 45 -4.907 -2.914 -2.393 1.00 0.00 C ATOM 0 H LEU A 45 -3.408 -3.476 2.205 1.00 0.00 H new ATOM 0 HA LEU A 45 -2.610 -1.174 0.651 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -3.001 -3.264 -0.436 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -4.606 -3.394 0.254 1.00 0.00 H new ATOM 0 HG LEU A 45 -5.299 -1.343 -0.966 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -3.887 -0.414 -2.768 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -3.150 -0.197 -1.163 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -2.548 -1.468 -2.254 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -5.316 -2.368 -3.243 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -4.059 -3.514 -2.722 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -5.675 -3.567 -1.978 1.00 0.00 H new ATOM 729 N ALA A 46 -5.570 -1.446 2.121 1.00 0.00 N ATOM 730 CA ALA A 46 -6.680 -0.673 2.653 1.00 0.00 C ATOM 731 C ALA A 46 -6.112 0.420 3.566 1.00 0.00 C ATOM 732 O ALA A 46 -6.618 1.538 3.658 1.00 0.00 O ATOM 733 CB ALA A 46 -7.609 -1.621 3.427 1.00 0.00 C ATOM 0 H ALA A 46 -5.632 -2.451 2.284 1.00 0.00 H new ATOM 0 HA ALA A 46 -7.255 -0.200 1.857 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -8.448 -1.057 3.833 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -7.983 -2.393 2.755 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -7.056 -2.087 4.243 1.00 0.00 H new ATOM 739 N GLU A 47 -5.002 0.077 4.227 1.00 0.00 N ATOM 740 CA GLU A 47 -4.302 1.013 5.099 1.00 0.00 C ATOM 741 C GLU A 47 -3.733 2.195 4.325 1.00 0.00 C ATOM 742 O GLU A 47 -4.094 3.352 4.545 1.00 0.00 O ATOM 743 CB GLU A 47 -3.174 0.244 5.822 1.00 0.00 C ATOM 744 CG GLU A 47 -3.405 0.150 7.344 1.00 0.00 C ATOM 745 CD GLU A 47 -3.354 1.497 8.046 1.00 0.00 C ATOM 746 OE1 GLU A 47 -2.776 2.463 7.539 1.00 0.00 O ATOM 747 OE2 GLU A 47 -3.914 1.596 9.134 1.00 0.00 O ATOM 0 H GLU A 47 -4.571 -0.846 4.171 1.00 0.00 H new ATOM 0 HA GLU A 47 -5.008 1.424 5.821 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -3.099 -0.761 5.406 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -2.222 0.739 5.632 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -4.375 -0.311 7.529 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -2.651 -0.507 7.779 1.00 0.00 H new ATOM 754 N ALA A 48 -2.827 1.910 3.393 1.00 0.00 N ATOM 755 CA ALA A 48 -2.244 2.951 2.548 1.00 0.00 C ATOM 756 C ALA A 48 -3.316 3.818 1.884 1.00 0.00 C ATOM 757 O ALA A 48 -3.172 5.032 1.734 1.00 0.00 O ATOM 758 CB ALA A 48 -1.360 2.258 1.490 1.00 0.00 C ATOM 0 H ALA A 48 -2.481 0.970 3.203 1.00 0.00 H new ATOM 0 HA ALA A 48 -1.647 3.625 3.162 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -0.910 3.011 0.843 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -0.574 1.691 1.988 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -1.971 1.583 0.891 1.00 0.00 H new ATOM 764 N LYS A 49 -4.416 3.183 1.474 1.00 0.00 N ATOM 765 CA LYS A 49 -5.544 3.879 0.878 1.00 0.00 C ATOM 766 C LYS A 49 -6.193 4.811 1.911 1.00 0.00 C ATOM 767 O LYS A 49 -6.496 5.973 1.634 1.00 0.00 O ATOM 768 CB LYS A 49 -6.532 2.809 0.362 1.00 0.00 C ATOM 769 CG LYS A 49 -7.371 3.261 -0.849 1.00 0.00 C ATOM 770 CD LYS A 49 -8.321 4.422 -0.540 1.00 0.00 C ATOM 771 CE LYS A 49 -9.158 4.776 -1.778 1.00 0.00 C ATOM 772 NZ LYS A 49 -10.018 5.897 -1.454 1.00 0.00 N ATOM 0 H LYS A 49 -4.544 2.174 1.548 1.00 0.00 H new ATOM 0 HA LYS A 49 -5.226 4.506 0.045 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -5.972 1.914 0.089 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -7.205 2.530 1.173 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -6.700 3.557 -1.655 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -7.953 2.414 -1.213 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -8.979 4.151 0.286 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -7.749 5.293 -0.220 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -8.507 5.029 -2.614 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -9.756 3.919 -2.088 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -10.943 5.768 -1.911 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -10.145 5.950 -0.423 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -9.583 6.778 -1.795 1.00 0.00 H new ATOM 786 N LYS A 50 -6.383 4.337 3.148 1.00 0.00 N ATOM 787 CA LYS A 50 -7.000 5.134 4.202 1.00 0.00 C ATOM 788 C LYS A 50 -6.116 6.342 4.478 1.00 0.00 C ATOM 789 O LYS A 50 -6.582 7.466 4.678 1.00 0.00 O ATOM 790 CB LYS A 50 -7.298 4.231 5.435 1.00 0.00 C ATOM 791 CG LYS A 50 -6.931 4.785 6.830 1.00 0.00 C ATOM 792 CD LYS A 50 -5.525 4.324 7.242 1.00 0.00 C ATOM 793 CE LYS A 50 -5.072 4.967 8.554 1.00 0.00 C ATOM 794 NZ LYS A 50 -3.766 4.440 8.911 1.00 0.00 N ATOM 0 H LYS A 50 -6.114 3.397 3.440 1.00 0.00 H new ATOM 0 HA LYS A 50 -7.970 5.531 3.903 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -8.363 4.001 5.434 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -6.768 3.288 5.297 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -6.973 5.874 6.817 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -7.661 4.446 7.565 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -5.516 3.239 7.348 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -4.816 4.573 6.452 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -5.024 6.051 8.446 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -5.792 4.757 9.345 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -3.180 5.203 9.306 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -3.877 3.687 9.619 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -3.304 4.053 8.063 1.00 0.00 H new ATOM 808 N LEU A 51 -4.804 6.110 4.468 1.00 0.00 N ATOM 809 CA LEU A 51 -3.867 7.201 4.662 1.00 0.00 C ATOM 810 C LEU A 51 -4.008 8.205 3.530 1.00 0.00 C ATOM 811 O LEU A 51 -4.267 9.382 3.742 1.00 0.00 O ATOM 812 CB LEU A 51 -2.430 6.683 4.734 1.00 0.00 C ATOM 813 CG LEU A 51 -2.141 5.985 6.055 1.00 0.00 C ATOM 814 CD1 LEU A 51 -0.748 5.393 5.972 1.00 0.00 C ATOM 815 CD2 LEU A 51 -2.205 6.996 7.210 1.00 0.00 C ATOM 0 H LEU A 51 -4.378 5.194 4.330 1.00 0.00 H new ATOM 0 HA LEU A 51 -4.096 7.690 5.609 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -2.253 5.990 3.911 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -1.738 7.515 4.605 1.00 0.00 H new ATOM 0 HG LEU A 51 -2.880 5.205 6.239 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -0.512 4.885 6.907 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -0.705 4.679 5.150 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -0.024 6.189 5.799 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -1.997 6.487 8.151 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -1.464 7.779 7.049 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -3.200 7.440 7.250 1.00 0.00 H new ATOM 827 N ASN A 52 -3.882 7.718 2.294 1.00 0.00 N ATOM 828 CA ASN A 52 -3.959 8.510 1.076 1.00 0.00 C ATOM 829 C ASN A 52 -5.132 9.490 1.119 1.00 0.00 C ATOM 830 O ASN A 52 -5.063 10.661 0.755 1.00 0.00 O ATOM 831 CB ASN A 52 -4.111 7.508 -0.081 1.00 0.00 C ATOM 832 CG ASN A 52 -4.464 8.175 -1.397 1.00 0.00 C ATOM 833 OD1 ASN A 52 -3.602 8.491 -2.207 1.00 0.00 O ATOM 834 ND2 ASN A 52 -5.733 8.420 -1.667 1.00 0.00 N ATOM 0 H ASN A 52 -3.718 6.728 2.113 1.00 0.00 H new ATOM 0 HA ASN A 52 -3.065 9.120 0.952 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -3.180 6.953 -0.199 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -4.885 6.783 0.172 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -5.990 8.870 -2.546 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -6.457 8.159 -0.997 1.00 0.00 H new ATOM 841 N ASP A 53 -6.238 8.912 1.570 1.00 0.00 N ATOM 842 CA ASP A 53 -7.483 9.645 1.756 1.00 0.00 C ATOM 843 C ASP A 53 -7.370 10.680 2.880 1.00 0.00 C ATOM 844 O ASP A 53 -7.756 11.840 2.728 1.00 0.00 O ATOM 845 CB ASP A 53 -8.593 8.610 2.041 1.00 0.00 C ATOM 846 CG ASP A 53 -8.966 7.804 0.807 1.00 0.00 C ATOM 847 OD1 ASP A 53 -8.283 7.844 -0.215 1.00 0.00 O ATOM 848 OD2 ASP A 53 -9.989 7.127 0.846 1.00 0.00 O ATOM 0 H ASP A 53 -6.297 7.924 1.817 1.00 0.00 H new ATOM 0 HA ASP A 53 -7.722 10.212 0.856 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -8.261 7.932 2.827 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -9.478 9.124 2.417 1.00 0.00 H new ATOM 853 N ALA A 54 -6.815 10.286 4.029 1.00 0.00 N ATOM 854 CA ALA A 54 -6.608 11.185 5.155 1.00 0.00 C ATOM 855 C ALA A 54 -5.792 12.409 4.749 1.00 0.00 C ATOM 856 O ALA A 54 -6.149 13.544 5.072 1.00 0.00 O ATOM 857 CB ALA A 54 -5.924 10.403 6.292 1.00 0.00 C ATOM 0 H ALA A 54 -6.498 9.332 4.200 1.00 0.00 H new ATOM 0 HA ALA A 54 -7.572 11.557 5.502 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -5.763 11.065 7.143 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -6.560 9.571 6.595 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -4.965 10.019 5.944 1.00 0.00 H new ATOM 863 N GLN A 55 -4.697 12.190 4.023 1.00 0.00 N ATOM 864 CA GLN A 55 -3.895 13.310 3.555 1.00 0.00 C ATOM 865 C GLN A 55 -4.413 13.907 2.240 1.00 0.00 C ATOM 866 O GLN A 55 -3.704 14.675 1.584 1.00 0.00 O ATOM 867 CB GLN A 55 -2.395 12.932 3.477 1.00 0.00 C ATOM 868 CG GLN A 55 -2.029 11.929 2.366 1.00 0.00 C ATOM 869 CD GLN A 55 -1.612 10.578 2.877 1.00 0.00 C ATOM 870 OE1 GLN A 55 -1.772 10.154 4.013 1.00 0.00 O ATOM 871 NE2 GLN A 55 -1.028 9.870 1.945 1.00 0.00 N ATOM 0 H GLN A 55 -4.354 11.268 3.753 1.00 0.00 H new ATOM 0 HA GLN A 55 -3.996 14.102 4.297 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -1.814 13.842 3.328 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -2.092 12.514 4.437 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -2.886 11.807 1.704 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -1.219 12.345 1.767 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -0.912 10.257 1.008 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -0.689 8.931 2.155 1.00 0.00 H new ATOM 880 N ALA A 56 -5.637 13.590 1.799 1.00 0.00 N ATOM 881 CA ALA A 56 -6.196 14.172 0.582 1.00 0.00 C ATOM 882 C ALA A 56 -6.736 15.585 0.839 1.00 0.00 C ATOM 883 O ALA A 56 -7.041 15.925 1.986 1.00 0.00 O ATOM 884 CB ALA A 56 -7.327 13.248 0.086 1.00 0.00 C ATOM 0 H ALA A 56 -6.257 12.932 2.271 1.00 0.00 H new ATOM 0 HA ALA A 56 -5.415 14.257 -0.173 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -7.762 13.661 -0.824 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -6.923 12.258 -0.123 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -8.097 13.171 0.854 1.00 0.00 H new ATOM 890 N PRO A 57 -6.883 16.455 -0.173 1.00 0.00 N ATOM 891 CA PRO A 57 -7.358 17.841 -0.017 1.00 0.00 C ATOM 892 C PRO A 57 -8.843 18.005 0.346 1.00 0.00 C ATOM 893 O PRO A 57 -9.685 18.454 -0.433 1.00 0.00 O ATOM 894 CB PRO A 57 -6.980 18.474 -1.362 1.00 0.00 C ATOM 895 CG PRO A 57 -7.131 17.307 -2.321 1.00 0.00 C ATOM 896 CD PRO A 57 -6.486 16.161 -1.549 1.00 0.00 C ATOM 0 HA PRO A 57 -6.900 18.327 0.844 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -7.640 19.302 -1.622 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -5.963 18.866 -1.356 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -8.177 17.103 -2.551 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -6.626 17.493 -3.269 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -6.853 15.189 -1.880 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -5.402 16.150 -1.667 1.00 0.00 H new ATOM 904 N LYS A 58 -9.159 17.615 1.578 1.00 0.00 N ATOM 905 CA LYS A 58 -10.487 17.710 2.168 1.00 0.00 C ATOM 906 C LYS A 58 -10.450 17.887 3.693 1.00 0.00 C ATOM 907 O LYS A 58 -11.458 18.312 4.254 1.00 0.00 O ATOM 908 CB LYS A 58 -11.307 16.461 1.743 1.00 0.00 C ATOM 909 CG LYS A 58 -10.639 15.115 2.095 1.00 0.00 C ATOM 910 CD LYS A 58 -10.838 14.721 3.575 1.00 0.00 C ATOM 911 CE LYS A 58 -9.616 14.017 4.168 1.00 0.00 C ATOM 912 NZ LYS A 58 -8.490 14.937 4.208 1.00 0.00 N ATOM 913 OXT LYS A 58 -9.437 17.579 4.331 1.00 0.00 O ATOM 0 H LYS A 58 -8.472 17.210 2.214 1.00 0.00 H new ATOM 0 HA LYS A 58 -10.974 18.610 1.793 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -12.286 16.504 2.220 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -11.475 16.500 0.667 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -11.049 14.332 1.456 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -9.572 15.176 1.880 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -11.056 15.615 4.159 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -11.706 14.067 3.659 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -9.842 13.660 5.173 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -9.362 13.142 3.569 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -7.757 14.562 4.844 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -8.096 15.045 3.252 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -8.810 15.863 4.557 1.00 0.00 H new TER 927 LYS A 58