USER MOD reduce.3.24.130724 H: found=0, std=0, add=604, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 605 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 132 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 158 ASN : amide:sc= 0.226 X(o=0.23,f=0) USER MOD Set 2.1: A 110 THR OG1 : rot 180:sc= -0.173 USER MOD Set 2.2: A 113 HIS : no HD1:sc= -0.176 X(o=-0.35,f=0.064) USER MOD Set 3.1: A 96 ASN : amide:sc= -0.0273 K(o=-0.063,f=-13!) USER MOD Set 3.2: A 97 LYS NZ :NH3+ 176:sc= -0.0358 (180deg=-0.75) USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 95 ASN : amide:sc= -1.01 K(o=-1,f=-0.33) USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 102 THR OG1 : rot 180:sc= 0 USER MOD Single : A 103 TYR OH : rot 180:sc= 0 USER MOD Single : A 108 THR OG1 : rot -80:sc= 1.01 USER MOD Single : A 109 GLN : amide:sc= -0.608 K(o=-0.61,f=-5.8!) USER MOD Single : A 115 LYS NZ :NH3+ 162:sc= 1.27 (180deg=1.17) USER MOD Single : A 116 GLN : amide:sc= 0 X(o=0,f=-0.34) USER MOD Single : A 117 GLN : amide:sc=-0.000616 X(o=-0.00062,f=-0.25) USER MOD Single : A 119 SER OG : rot 61:sc= 0.959 USER MOD Single : A 125 GLN : amide:sc= 0 X(o=0,f=-0.067) USER MOD Single : A 136 LYS NZ :NH3+ 163:sc= -0.0622 (180deg=-0.359) USER MOD Single : A 141 GLN : amide:sc= -1.09 K(o=-1.1,f=0) USER MOD Single : A 147 TYR OH : rot -104:sc= 0.865 USER MOD Single : A 150 LYS NZ :NH3+ 160:sc= 0.404 (180deg=0.272) USER MOD Single : A 153 SER OG : rot 72:sc= 1.22 USER MOD Single : A 154 THR OG1 : rot 180:sc= 0 USER MOD Single : A 157 MET CE :methyl -170:sc= -1.54 (180deg=-2.15!) USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 86 13.434 -12.327 1.210 1.00 0.00 N ATOM 2 CA ASP A 86 14.004 -12.413 -0.133 1.00 0.00 C ATOM 3 C ASP A 86 12.954 -12.142 -1.207 1.00 0.00 C ATOM 4 O ASP A 86 13.198 -12.364 -2.393 1.00 0.00 O ATOM 5 CB ASP A 86 14.632 -13.794 -0.363 1.00 0.00 C ATOM 6 CG ASP A 86 13.605 -14.878 -0.636 1.00 0.00 C ATOM 7 OD1 ASP A 86 12.699 -15.074 0.199 1.00 0.00 O ATOM 8 OD2 ASP A 86 13.710 -15.554 -1.680 1.00 0.00 O ATOM 0 HA ASP A 86 14.776 -11.647 -0.208 1.00 0.00 H new ATOM 0 HB2 ASP A 86 15.323 -13.737 -1.204 1.00 0.00 H new ATOM 0 HB3 ASP A 86 15.219 -14.070 0.513 1.00 0.00 H new ATOM 13 N GLU A 87 11.795 -11.648 -0.795 1.00 0.00 N ATOM 14 CA GLU A 87 10.720 -11.350 -1.737 1.00 0.00 C ATOM 15 C GLU A 87 10.347 -9.862 -1.737 1.00 0.00 C ATOM 16 O GLU A 87 9.325 -9.465 -1.176 1.00 0.00 O ATOM 17 CB GLU A 87 9.486 -12.221 -1.448 1.00 0.00 C ATOM 18 CG GLU A 87 9.334 -12.665 0.009 1.00 0.00 C ATOM 19 CD GLU A 87 9.195 -11.514 0.988 1.00 0.00 C ATOM 20 OE1 GLU A 87 8.054 -11.089 1.263 1.00 0.00 O ATOM 21 OE2 GLU A 87 10.232 -11.048 1.504 1.00 0.00 O ATOM 0 H GLU A 87 11.573 -11.445 0.180 1.00 0.00 H new ATOM 0 HA GLU A 87 11.090 -11.589 -2.734 1.00 0.00 H new ATOM 0 HB2 GLU A 87 8.593 -11.667 -1.738 1.00 0.00 H new ATOM 0 HB3 GLU A 87 9.530 -13.108 -2.080 1.00 0.00 H new ATOM 0 HG2 GLU A 87 8.459 -13.309 0.093 1.00 0.00 H new ATOM 0 HG3 GLU A 87 10.200 -13.265 0.289 1.00 0.00 H new ATOM 28 N PRO A 88 11.178 -9.011 -2.357 1.00 0.00 N ATOM 29 CA PRO A 88 10.913 -7.588 -2.470 1.00 0.00 C ATOM 30 C PRO A 88 10.089 -7.266 -3.713 1.00 0.00 C ATOM 31 O PRO A 88 10.568 -7.387 -4.840 1.00 0.00 O ATOM 32 CB PRO A 88 12.315 -6.967 -2.576 1.00 0.00 C ATOM 33 CG PRO A 88 13.272 -8.110 -2.779 1.00 0.00 C ATOM 34 CD PRO A 88 12.447 -9.349 -3.000 1.00 0.00 C ATOM 0 HA PRO A 88 10.334 -7.207 -1.629 1.00 0.00 H new ATOM 0 HB2 PRO A 88 12.367 -6.265 -3.408 1.00 0.00 H new ATOM 0 HB3 PRO A 88 12.562 -6.409 -1.673 1.00 0.00 H new ATOM 0 HG2 PRO A 88 13.920 -7.922 -3.635 1.00 0.00 H new ATOM 0 HG3 PRO A 88 13.919 -8.229 -1.910 1.00 0.00 H new ATOM 0 HD2 PRO A 88 12.318 -9.566 -4.060 1.00 0.00 H new ATOM 0 HD3 PRO A 88 12.908 -10.228 -2.549 1.00 0.00 H new ATOM 42 N LEU A 89 8.848 -6.862 -3.506 1.00 0.00 N ATOM 43 CA LEU A 89 7.967 -6.542 -4.612 1.00 0.00 C ATOM 44 C LEU A 89 7.996 -5.037 -4.860 1.00 0.00 C ATOM 45 O LEU A 89 7.742 -4.241 -3.955 1.00 0.00 O ATOM 46 CB LEU A 89 6.538 -7.015 -4.315 1.00 0.00 C ATOM 47 CG LEU A 89 5.750 -7.550 -5.520 1.00 0.00 C ATOM 48 CD1 LEU A 89 5.672 -6.515 -6.632 1.00 0.00 C ATOM 49 CD2 LEU A 89 6.370 -8.843 -6.034 1.00 0.00 C ATOM 0 H LEU A 89 8.429 -6.748 -2.583 1.00 0.00 H new ATOM 0 HA LEU A 89 8.311 -7.058 -5.508 1.00 0.00 H new ATOM 0 HB2 LEU A 89 6.584 -7.798 -3.558 1.00 0.00 H new ATOM 0 HB3 LEU A 89 5.983 -6.184 -3.881 1.00 0.00 H new ATOM 0 HG LEU A 89 4.733 -7.761 -5.188 1.00 0.00 H new ATOM 0 HD11 LEU A 89 5.108 -6.924 -7.471 1.00 0.00 H new ATOM 0 HD12 LEU A 89 5.173 -5.620 -6.261 1.00 0.00 H new ATOM 0 HD13 LEU A 89 6.679 -6.259 -6.962 1.00 0.00 H new ATOM 0 HD21 LEU A 89 5.798 -9.207 -6.888 1.00 0.00 H new ATOM 0 HD22 LEU A 89 7.399 -8.656 -6.340 1.00 0.00 H new ATOM 0 HD23 LEU A 89 6.357 -9.592 -5.243 1.00 0.00 H new ATOM 61 N SER A 90 8.336 -4.656 -6.075 1.00 0.00 N ATOM 62 CA SER A 90 8.386 -3.256 -6.441 1.00 0.00 C ATOM 63 C SER A 90 7.068 -2.851 -7.096 1.00 0.00 C ATOM 64 O SER A 90 6.816 -3.172 -8.256 1.00 0.00 O ATOM 65 CB SER A 90 9.560 -3.015 -7.395 1.00 0.00 C ATOM 66 OG SER A 90 10.052 -1.688 -7.291 1.00 0.00 O ATOM 0 H SER A 90 8.582 -5.299 -6.827 1.00 0.00 H new ATOM 0 HA SER A 90 8.533 -2.648 -5.548 1.00 0.00 H new ATOM 0 HB2 SER A 90 10.361 -3.720 -7.172 1.00 0.00 H new ATOM 0 HB3 SER A 90 9.242 -3.207 -8.420 1.00 0.00 H new ATOM 0 HG SER A 90 10.801 -1.567 -7.911 1.00 0.00 H new ATOM 72 N ILE A 91 6.215 -2.179 -6.333 1.00 0.00 N ATOM 73 CA ILE A 91 4.919 -1.744 -6.839 1.00 0.00 C ATOM 74 C ILE A 91 4.913 -0.235 -7.033 1.00 0.00 C ATOM 75 O ILE A 91 5.772 0.474 -6.502 1.00 0.00 O ATOM 76 CB ILE A 91 3.762 -2.129 -5.890 1.00 0.00 C ATOM 77 CG1 ILE A 91 3.958 -1.487 -4.513 1.00 0.00 C ATOM 78 CG2 ILE A 91 3.649 -3.641 -5.771 1.00 0.00 C ATOM 79 CD1 ILE A 91 2.786 -1.684 -3.576 1.00 0.00 C ATOM 0 H ILE A 91 6.397 -1.923 -5.362 1.00 0.00 H new ATOM 0 HA ILE A 91 4.763 -2.251 -7.791 1.00 0.00 H new ATOM 0 HB ILE A 91 2.831 -1.751 -6.311 1.00 0.00 H new ATOM 0 HG12 ILE A 91 4.854 -1.903 -4.052 1.00 0.00 H new ATOM 0 HG13 ILE A 91 4.133 -0.419 -4.642 1.00 0.00 H new ATOM 0 HG21 ILE A 91 2.829 -3.893 -5.099 1.00 0.00 H new ATOM 0 HG22 ILE A 91 3.457 -4.070 -6.754 1.00 0.00 H new ATOM 0 HG23 ILE A 91 4.580 -4.045 -5.375 1.00 0.00 H new ATOM 0 HD11 ILE A 91 2.998 -1.202 -2.622 1.00 0.00 H new ATOM 0 HD12 ILE A 91 1.891 -1.242 -4.015 1.00 0.00 H new ATOM 0 HD13 ILE A 91 2.623 -2.750 -3.416 1.00 0.00 H new ATOM 91 N LEU A 92 3.942 0.257 -7.779 1.00 0.00 N ATOM 92 CA LEU A 92 3.853 1.676 -8.062 1.00 0.00 C ATOM 93 C LEU A 92 2.679 2.291 -7.312 1.00 0.00 C ATOM 94 O LEU A 92 1.541 1.873 -7.490 1.00 0.00 O ATOM 95 CB LEU A 92 3.689 1.897 -9.566 1.00 0.00 C ATOM 96 CG LEU A 92 3.802 3.348 -10.027 1.00 0.00 C ATOM 97 CD1 LEU A 92 5.190 3.893 -9.734 1.00 0.00 C ATOM 98 CD2 LEU A 92 3.497 3.455 -11.509 1.00 0.00 C ATOM 0 H LEU A 92 3.203 -0.306 -8.200 1.00 0.00 H new ATOM 0 HA LEU A 92 4.771 2.160 -7.729 1.00 0.00 H new ATOM 0 HB2 LEU A 92 4.443 1.307 -10.088 1.00 0.00 H new ATOM 0 HB3 LEU A 92 2.716 1.511 -9.870 1.00 0.00 H new ATOM 0 HG LEU A 92 3.073 3.943 -9.476 1.00 0.00 H new ATOM 0 HD11 LEU A 92 5.253 4.928 -10.069 1.00 0.00 H new ATOM 0 HD12 LEU A 92 5.380 3.847 -8.662 1.00 0.00 H new ATOM 0 HD13 LEU A 92 5.934 3.296 -10.261 1.00 0.00 H new ATOM 0 HD21 LEU A 92 3.581 4.495 -11.824 1.00 0.00 H new ATOM 0 HD22 LEU A 92 4.206 2.847 -12.071 1.00 0.00 H new ATOM 0 HD23 LEU A 92 2.484 3.100 -11.699 1.00 0.00 H new ATOM 110 N VAL A 93 2.961 3.270 -6.468 1.00 0.00 N ATOM 111 CA VAL A 93 1.922 3.948 -5.709 1.00 0.00 C ATOM 112 C VAL A 93 1.862 5.420 -6.099 1.00 0.00 C ATOM 113 O VAL A 93 2.825 6.166 -5.912 1.00 0.00 O ATOM 114 CB VAL A 93 2.151 3.821 -4.187 1.00 0.00 C ATOM 115 CG1 VAL A 93 1.084 4.579 -3.411 1.00 0.00 C ATOM 116 CG2 VAL A 93 2.178 2.356 -3.767 1.00 0.00 C ATOM 0 H VAL A 93 3.905 3.614 -6.291 1.00 0.00 H new ATOM 0 HA VAL A 93 0.974 3.467 -5.948 1.00 0.00 H new ATOM 0 HB VAL A 93 3.119 4.264 -3.954 1.00 0.00 H new ATOM 0 HG11 VAL A 93 1.268 4.474 -2.342 1.00 0.00 H new ATOM 0 HG12 VAL A 93 1.117 5.634 -3.683 1.00 0.00 H new ATOM 0 HG13 VAL A 93 0.102 4.173 -3.652 1.00 0.00 H new ATOM 0 HG21 VAL A 93 2.340 2.289 -2.691 1.00 0.00 H new ATOM 0 HG22 VAL A 93 1.227 1.887 -4.020 1.00 0.00 H new ATOM 0 HG23 VAL A 93 2.986 1.843 -4.289 1.00 0.00 H new ATOM 126 N ARG A 94 0.734 5.835 -6.647 1.00 0.00 N ATOM 127 CA ARG A 94 0.574 7.203 -7.112 1.00 0.00 C ATOM 128 C ARG A 94 -0.120 8.052 -6.054 1.00 0.00 C ATOM 129 O ARG A 94 -1.123 7.634 -5.474 1.00 0.00 O ATOM 130 CB ARG A 94 -0.225 7.232 -8.420 1.00 0.00 C ATOM 131 CG ARG A 94 -0.321 8.614 -9.044 1.00 0.00 C ATOM 132 CD ARG A 94 -1.040 8.581 -10.384 1.00 0.00 C ATOM 133 NE ARG A 94 -1.041 9.893 -11.028 1.00 0.00 N ATOM 134 CZ ARG A 94 -0.531 10.138 -12.235 1.00 0.00 C ATOM 135 NH1 ARG A 94 0.001 9.156 -12.953 1.00 0.00 N ATOM 136 NH2 ARG A 94 -0.556 11.371 -12.719 1.00 0.00 N ATOM 0 H ARG A 94 -0.086 5.244 -6.782 1.00 0.00 H new ATOM 0 HA ARG A 94 1.564 7.620 -7.296 1.00 0.00 H new ATOM 0 HB2 ARG A 94 0.239 6.552 -9.134 1.00 0.00 H new ATOM 0 HB3 ARG A 94 -1.231 6.858 -8.230 1.00 0.00 H new ATOM 0 HG2 ARG A 94 -0.849 9.283 -8.365 1.00 0.00 H new ATOM 0 HG3 ARG A 94 0.681 9.022 -9.179 1.00 0.00 H new ATOM 0 HD2 ARG A 94 -0.558 7.855 -11.038 1.00 0.00 H new ATOM 0 HD3 ARG A 94 -2.067 8.246 -10.238 1.00 0.00 H new ATOM 0 HE ARG A 94 -1.460 10.673 -10.520 1.00 0.00 H new ATOM 0 HH11 ARG A 94 0.021 8.206 -12.582 1.00 0.00 H new ATOM 0 HH12 ARG A 94 0.389 9.351 -13.876 1.00 0.00 H new ATOM 0 HH21 ARG A 94 -0.964 12.127 -12.169 1.00 0.00 H new ATOM 0 HH22 ARG A 94 -0.167 11.565 -13.642 1.00 0.00 H new ATOM 150 N ASN A 95 0.431 9.234 -5.798 1.00 0.00 N ATOM 151 CA ASN A 95 -0.150 10.165 -4.832 1.00 0.00 C ATOM 152 C ASN A 95 -1.364 10.848 -5.444 1.00 0.00 C ATOM 153 O ASN A 95 -1.220 11.877 -6.090 1.00 0.00 O ATOM 154 CB ASN A 95 0.867 11.233 -4.410 1.00 0.00 C ATOM 155 CG ASN A 95 2.188 10.656 -3.939 1.00 0.00 C ATOM 156 OD1 ASN A 95 2.248 9.556 -3.386 1.00 0.00 O ATOM 157 ND2 ASN A 95 3.260 11.403 -4.157 1.00 0.00 N ATOM 0 H ASN A 95 1.282 9.572 -6.247 1.00 0.00 H new ATOM 0 HA ASN A 95 -0.444 9.596 -3.950 1.00 0.00 H new ATOM 0 HB2 ASN A 95 1.051 11.901 -5.251 1.00 0.00 H new ATOM 0 HB3 ASN A 95 0.438 11.837 -3.611 1.00 0.00 H new ATOM 0 HD21 ASN A 95 4.180 11.073 -3.864 1.00 0.00 H new ATOM 0 HD22 ASN A 95 3.166 12.308 -4.618 1.00 0.00 H new ATOM 164 N ASN A 96 -2.538 10.252 -5.224 1.00 0.00 N ATOM 165 CA ASN A 96 -3.826 10.663 -5.816 1.00 0.00 C ATOM 166 C ASN A 96 -3.747 11.038 -7.309 1.00 0.00 C ATOM 167 O ASN A 96 -4.156 10.250 -8.161 1.00 0.00 O ATOM 168 CB ASN A 96 -4.575 11.727 -4.960 1.00 0.00 C ATOM 169 CG ASN A 96 -3.860 13.059 -4.699 1.00 0.00 C ATOM 170 OD1 ASN A 96 -3.154 13.608 -5.538 1.00 0.00 O ATOM 171 ND2 ASN A 96 -4.075 13.607 -3.514 1.00 0.00 N ATOM 0 H ASN A 96 -2.628 9.443 -4.610 1.00 0.00 H new ATOM 0 HA ASN A 96 -4.441 9.763 -5.791 1.00 0.00 H new ATOM 0 HB2 ASN A 96 -5.524 11.945 -5.450 1.00 0.00 H new ATOM 0 HB3 ASN A 96 -4.810 11.277 -3.995 1.00 0.00 H new ATOM 0 HD21 ASN A 96 -3.650 14.505 -3.283 1.00 0.00 H new ATOM 0 HD22 ASN A 96 -4.666 13.132 -2.832 1.00 0.00 H new ATOM 178 N LYS A 97 -3.233 12.210 -7.629 1.00 0.00 N ATOM 179 CA LYS A 97 -3.186 12.682 -9.003 1.00 0.00 C ATOM 180 C LYS A 97 -1.752 13.015 -9.413 1.00 0.00 C ATOM 181 O LYS A 97 -1.447 13.133 -10.600 1.00 0.00 O ATOM 182 CB LYS A 97 -4.065 13.930 -9.143 1.00 0.00 C ATOM 183 CG LYS A 97 -3.466 15.169 -8.489 1.00 0.00 C ATOM 184 CD LYS A 97 -4.455 16.319 -8.429 1.00 0.00 C ATOM 185 CE LYS A 97 -5.460 16.122 -7.311 1.00 0.00 C ATOM 186 NZ LYS A 97 -4.791 16.017 -5.987 1.00 0.00 N ATOM 0 H LYS A 97 -2.838 12.860 -6.949 1.00 0.00 H new ATOM 0 HA LYS A 97 -3.557 11.893 -9.657 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -4.231 14.131 -10.201 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -5.040 13.730 -8.700 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -3.137 14.922 -7.480 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -2.582 15.481 -9.046 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -3.918 17.256 -8.278 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -4.979 16.402 -9.381 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -6.161 16.956 -7.300 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -6.041 15.219 -7.498 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -5.510 15.951 -5.239 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -4.192 15.167 -5.967 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -4.202 16.859 -5.828 1.00 0.00 H new ATOM 200 N GLY A 98 -0.875 13.133 -8.421 1.00 0.00 N ATOM 201 CA GLY A 98 0.461 13.646 -8.651 1.00 0.00 C ATOM 202 C GLY A 98 1.446 12.595 -9.121 1.00 0.00 C ATOM 203 O GLY A 98 1.215 11.918 -10.124 1.00 0.00 O ATOM 0 H GLY A 98 -1.070 12.879 -7.453 1.00 0.00 H new ATOM 0 HA2 GLY A 98 0.412 14.442 -9.394 1.00 0.00 H new ATOM 0 HA3 GLY A 98 0.833 14.093 -7.729 1.00 0.00 H new ATOM 207 N ARG A 99 2.549 12.461 -8.399 1.00 0.00 N ATOM 208 CA ARG A 99 3.636 11.591 -8.827 1.00 0.00 C ATOM 209 C ARG A 99 3.343 10.131 -8.504 1.00 0.00 C ATOM 210 O ARG A 99 2.732 9.812 -7.481 1.00 0.00 O ATOM 211 CB ARG A 99 4.963 12.009 -8.180 1.00 0.00 C ATOM 212 CG ARG A 99 5.013 11.807 -6.675 1.00 0.00 C ATOM 213 CD ARG A 99 6.364 12.202 -6.104 1.00 0.00 C ATOM 214 NE ARG A 99 6.640 13.627 -6.279 1.00 0.00 N ATOM 215 CZ ARG A 99 7.766 14.113 -6.797 1.00 0.00 C ATOM 216 NH1 ARG A 99 8.731 13.291 -7.202 1.00 0.00 N ATOM 217 NH2 ARG A 99 7.928 15.424 -6.899 1.00 0.00 N ATOM 0 H ARG A 99 2.715 12.943 -7.515 1.00 0.00 H new ATOM 0 HA ARG A 99 3.722 11.694 -9.909 1.00 0.00 H new ATOM 0 HB2 ARG A 99 5.773 11.441 -8.639 1.00 0.00 H new ATOM 0 HB3 ARG A 99 5.146 13.061 -8.400 1.00 0.00 H new ATOM 0 HG2 ARG A 99 4.230 12.399 -6.201 1.00 0.00 H new ATOM 0 HG3 ARG A 99 4.809 10.762 -6.440 1.00 0.00 H new ATOM 0 HD2 ARG A 99 6.395 11.955 -5.043 1.00 0.00 H new ATOM 0 HD3 ARG A 99 7.147 11.619 -6.590 1.00 0.00 H new ATOM 0 HE ARG A 99 5.924 14.291 -5.985 1.00 0.00 H new ATOM 0 HH11 ARG A 99 8.610 12.282 -7.116 1.00 0.00 H new ATOM 0 HH12 ARG A 99 9.591 13.670 -7.598 1.00 0.00 H new ATOM 0 HH21 ARG A 99 7.192 16.055 -6.581 1.00 0.00 H new ATOM 0 HH22 ARG A 99 8.789 15.802 -7.295 1.00 0.00 H new ATOM 231 N SER A 100 3.768 9.256 -9.400 1.00 0.00 N ATOM 232 CA SER A 100 3.686 7.826 -9.181 1.00 0.00 C ATOM 233 C SER A 100 5.010 7.323 -8.617 1.00 0.00 C ATOM 234 O SER A 100 5.996 7.183 -9.346 1.00 0.00 O ATOM 235 CB SER A 100 3.353 7.113 -10.496 1.00 0.00 C ATOM 236 OG SER A 100 2.218 7.701 -11.114 1.00 0.00 O ATOM 0 H SER A 100 4.178 9.518 -10.296 1.00 0.00 H new ATOM 0 HA SER A 100 2.893 7.611 -8.465 1.00 0.00 H new ATOM 0 HB2 SER A 100 4.208 7.165 -11.170 1.00 0.00 H new ATOM 0 HB3 SER A 100 3.162 6.057 -10.304 1.00 0.00 H new ATOM 0 HG SER A 100 2.023 7.233 -11.953 1.00 0.00 H new ATOM 242 N SER A 101 5.042 7.086 -7.317 1.00 0.00 N ATOM 243 CA SER A 101 6.264 6.678 -6.648 1.00 0.00 C ATOM 244 C SER A 101 6.328 5.161 -6.522 1.00 0.00 C ATOM 245 O SER A 101 5.336 4.509 -6.202 1.00 0.00 O ATOM 246 CB SER A 101 6.344 7.325 -5.265 1.00 0.00 C ATOM 247 OG SER A 101 6.153 8.728 -5.346 1.00 0.00 O ATOM 0 H SER A 101 4.232 7.170 -6.702 1.00 0.00 H new ATOM 0 HA SER A 101 7.113 7.009 -7.246 1.00 0.00 H new ATOM 0 HB2 SER A 101 5.588 6.889 -4.612 1.00 0.00 H new ATOM 0 HB3 SER A 101 7.314 7.112 -4.816 1.00 0.00 H new ATOM 0 HG SER A 101 6.207 9.118 -4.449 1.00 0.00 H new ATOM 253 N THR A 102 7.491 4.599 -6.799 1.00 0.00 N ATOM 254 CA THR A 102 7.687 3.166 -6.674 1.00 0.00 C ATOM 255 C THR A 102 8.071 2.812 -5.236 1.00 0.00 C ATOM 256 O THR A 102 9.029 3.361 -4.689 1.00 0.00 O ATOM 257 CB THR A 102 8.774 2.684 -7.651 1.00 0.00 C ATOM 258 OG1 THR A 102 8.503 3.215 -8.956 1.00 0.00 O ATOM 259 CG2 THR A 102 8.814 1.165 -7.721 1.00 0.00 C ATOM 0 H THR A 102 8.314 5.113 -7.112 1.00 0.00 H new ATOM 0 HA THR A 102 6.753 2.663 -6.923 1.00 0.00 H new ATOM 0 HB THR A 102 9.742 3.035 -7.294 1.00 0.00 H new ATOM 0 HG1 THR A 102 9.194 2.912 -9.582 1.00 0.00 H new ATOM 0 HG21 THR A 102 9.591 0.853 -8.419 1.00 0.00 H new ATOM 0 HG22 THR A 102 9.031 0.761 -6.732 1.00 0.00 H new ATOM 0 HG23 THR A 102 7.849 0.791 -8.062 1.00 0.00 H new ATOM 267 N TYR A 103 7.314 1.912 -4.624 1.00 0.00 N ATOM 268 CA TYR A 103 7.533 1.554 -3.228 1.00 0.00 C ATOM 269 C TYR A 103 8.061 0.132 -3.096 1.00 0.00 C ATOM 270 O TYR A 103 7.696 -0.755 -3.871 1.00 0.00 O ATOM 271 CB TYR A 103 6.239 1.700 -2.422 1.00 0.00 C ATOM 272 CG TYR A 103 5.873 3.132 -2.096 1.00 0.00 C ATOM 273 CD1 TYR A 103 5.324 3.969 -3.058 1.00 0.00 C ATOM 274 CD2 TYR A 103 6.072 3.644 -0.821 1.00 0.00 C ATOM 275 CE1 TYR A 103 4.982 5.273 -2.758 1.00 0.00 C ATOM 276 CE2 TYR A 103 5.732 4.947 -0.512 1.00 0.00 C ATOM 277 CZ TYR A 103 5.189 5.758 -1.484 1.00 0.00 C ATOM 278 OH TYR A 103 4.843 7.056 -1.184 1.00 0.00 O ATOM 0 H TYR A 103 6.543 1.416 -5.071 1.00 0.00 H new ATOM 0 HA TYR A 103 8.282 2.239 -2.830 1.00 0.00 H new ATOM 0 HB2 TYR A 103 5.422 1.246 -2.982 1.00 0.00 H new ATOM 0 HB3 TYR A 103 6.338 1.141 -1.492 1.00 0.00 H new ATOM 0 HD1 TYR A 103 5.162 3.594 -4.058 1.00 0.00 H new ATOM 0 HD2 TYR A 103 6.500 3.012 -0.057 1.00 0.00 H new ATOM 0 HE1 TYR A 103 4.554 5.910 -3.518 1.00 0.00 H new ATOM 0 HE2 TYR A 103 5.891 5.328 0.486 1.00 0.00 H new ATOM 0 HH TYR A 103 5.052 7.241 -0.245 1.00 0.00 H new ATOM 288 N GLU A 104 8.917 -0.074 -2.104 1.00 0.00 N ATOM 289 CA GLU A 104 9.513 -1.378 -1.861 1.00 0.00 C ATOM 290 C GLU A 104 8.717 -2.139 -0.811 1.00 0.00 C ATOM 291 O GLU A 104 8.904 -1.946 0.393 1.00 0.00 O ATOM 292 CB GLU A 104 10.957 -1.219 -1.402 1.00 0.00 C ATOM 293 CG GLU A 104 11.803 -0.399 -2.353 1.00 0.00 C ATOM 294 CD GLU A 104 13.151 -0.040 -1.765 1.00 0.00 C ATOM 295 OE1 GLU A 104 13.197 0.799 -0.842 1.00 0.00 O ATOM 296 OE2 GLU A 104 14.173 -0.592 -2.228 1.00 0.00 O ATOM 0 H GLU A 104 9.215 0.651 -1.452 1.00 0.00 H new ATOM 0 HA GLU A 104 9.496 -1.944 -2.792 1.00 0.00 H new ATOM 0 HB2 GLU A 104 10.968 -0.748 -0.419 1.00 0.00 H new ATOM 0 HB3 GLU A 104 11.405 -2.206 -1.288 1.00 0.00 H new ATOM 0 HG2 GLU A 104 11.950 -0.958 -3.277 1.00 0.00 H new ATOM 0 HG3 GLU A 104 11.269 0.515 -2.614 1.00 0.00 H new ATOM 303 N VAL A 105 7.822 -2.983 -1.276 1.00 0.00 N ATOM 304 CA VAL A 105 7.000 -3.791 -0.390 1.00 0.00 C ATOM 305 C VAL A 105 7.427 -5.249 -0.476 1.00 0.00 C ATOM 306 O VAL A 105 8.360 -5.583 -1.204 1.00 0.00 O ATOM 307 CB VAL A 105 5.498 -3.660 -0.716 1.00 0.00 C ATOM 308 CG1 VAL A 105 5.049 -2.216 -0.566 1.00 0.00 C ATOM 309 CG2 VAL A 105 5.193 -4.178 -2.114 1.00 0.00 C ATOM 0 H VAL A 105 7.641 -3.131 -2.269 1.00 0.00 H new ATOM 0 HA VAL A 105 7.148 -3.424 0.625 1.00 0.00 H new ATOM 0 HB VAL A 105 4.941 -4.272 -0.007 1.00 0.00 H new ATOM 0 HG11 VAL A 105 3.987 -2.139 -0.799 1.00 0.00 H new ATOM 0 HG12 VAL A 105 5.220 -1.886 0.459 1.00 0.00 H new ATOM 0 HG13 VAL A 105 5.617 -1.585 -1.250 1.00 0.00 H new ATOM 0 HG21 VAL A 105 4.127 -4.073 -2.316 1.00 0.00 H new ATOM 0 HG22 VAL A 105 5.760 -3.603 -2.847 1.00 0.00 H new ATOM 0 HG23 VAL A 105 5.474 -5.229 -2.182 1.00 0.00 H new ATOM 319 N ARG A 106 6.765 -6.112 0.274 1.00 0.00 N ATOM 320 CA ARG A 106 7.087 -7.531 0.254 1.00 0.00 C ATOM 321 C ARG A 106 5.811 -8.355 0.272 1.00 0.00 C ATOM 322 O ARG A 106 4.733 -7.834 0.562 1.00 0.00 O ATOM 323 CB ARG A 106 7.969 -7.918 1.447 1.00 0.00 C ATOM 324 CG ARG A 106 9.239 -7.094 1.573 1.00 0.00 C ATOM 325 CD ARG A 106 10.216 -7.720 2.552 1.00 0.00 C ATOM 326 NE ARG A 106 9.575 -8.101 3.811 1.00 0.00 N ATOM 327 CZ ARG A 106 10.178 -8.060 4.998 1.00 0.00 C ATOM 328 NH1 ARG A 106 11.406 -7.568 5.108 1.00 0.00 N ATOM 329 NH2 ARG A 106 9.539 -8.496 6.078 1.00 0.00 N ATOM 0 H ARG A 106 6.003 -5.858 0.903 1.00 0.00 H new ATOM 0 HA ARG A 106 7.641 -7.736 -0.662 1.00 0.00 H new ATOM 0 HB2 ARG A 106 7.388 -7.813 2.363 1.00 0.00 H new ATOM 0 HB3 ARG A 106 8.239 -8.970 1.359 1.00 0.00 H new ATOM 0 HG2 ARG A 106 9.712 -7.001 0.595 1.00 0.00 H new ATOM 0 HG3 ARG A 106 8.988 -6.086 1.903 1.00 0.00 H new ATOM 0 HD2 ARG A 106 10.669 -8.601 2.097 1.00 0.00 H new ATOM 0 HD3 ARG A 106 11.023 -7.016 2.756 1.00 0.00 H new ATOM 0 HE ARG A 106 8.606 -8.418 3.778 1.00 0.00 H new ATOM 0 HH11 ARG A 106 11.892 -7.219 4.282 1.00 0.00 H new ATOM 0 HH12 ARG A 106 11.864 -7.539 6.019 1.00 0.00 H new ATOM 0 HH21 ARG A 106 8.590 -8.861 5.997 1.00 0.00 H new ATOM 0 HH22 ARG A 106 9.998 -8.466 6.989 1.00 0.00 H new ATOM 343 N LEU A 107 5.932 -9.639 -0.027 1.00 0.00 N ATOM 344 CA LEU A 107 4.779 -10.530 -0.025 1.00 0.00 C ATOM 345 C LEU A 107 4.467 -10.955 1.403 1.00 0.00 C ATOM 346 O LEU A 107 3.342 -11.341 1.722 1.00 0.00 O ATOM 347 CB LEU A 107 5.022 -11.764 -0.906 1.00 0.00 C ATOM 348 CG LEU A 107 5.073 -11.511 -2.421 1.00 0.00 C ATOM 349 CD1 LEU A 107 6.357 -10.800 -2.821 1.00 0.00 C ATOM 350 CD2 LEU A 107 4.932 -12.821 -3.179 1.00 0.00 C ATOM 0 H LEU A 107 6.814 -10.088 -0.274 1.00 0.00 H new ATOM 0 HA LEU A 107 3.927 -9.991 -0.440 1.00 0.00 H new ATOM 0 HB2 LEU A 107 5.963 -12.223 -0.602 1.00 0.00 H new ATOM 0 HB3 LEU A 107 4.234 -12.490 -0.705 1.00 0.00 H new ATOM 0 HG LEU A 107 4.238 -10.861 -2.682 1.00 0.00 H new ATOM 0 HD11 LEU A 107 6.362 -10.636 -3.899 1.00 0.00 H new ATOM 0 HD12 LEU A 107 6.417 -9.840 -2.308 1.00 0.00 H new ATOM 0 HD13 LEU A 107 7.214 -11.414 -2.544 1.00 0.00 H new ATOM 0 HD21 LEU A 107 4.970 -12.627 -4.251 1.00 0.00 H new ATOM 0 HD22 LEU A 107 5.746 -13.491 -2.903 1.00 0.00 H new ATOM 0 HD23 LEU A 107 3.979 -13.286 -2.928 1.00 0.00 H new ATOM 362 N THR A 108 5.484 -10.883 2.250 1.00 0.00 N ATOM 363 CA THR A 108 5.331 -11.137 3.673 1.00 0.00 C ATOM 364 C THR A 108 4.673 -9.949 4.377 1.00 0.00 C ATOM 365 O THR A 108 4.170 -10.072 5.495 1.00 0.00 O ATOM 366 CB THR A 108 6.699 -11.428 4.322 1.00 0.00 C ATOM 367 OG1 THR A 108 7.679 -10.500 3.827 1.00 0.00 O ATOM 368 CG2 THR A 108 7.145 -12.855 4.031 1.00 0.00 C ATOM 0 H THR A 108 6.436 -10.647 1.970 1.00 0.00 H new ATOM 0 HA THR A 108 4.688 -12.010 3.785 1.00 0.00 H new ATOM 0 HB THR A 108 6.600 -11.312 5.401 1.00 0.00 H new ATOM 0 HG1 THR A 108 7.993 -10.794 2.946 1.00 0.00 H new ATOM 0 HG21 THR A 108 8.112 -13.036 4.499 1.00 0.00 H new ATOM 0 HG22 THR A 108 6.411 -13.554 4.432 1.00 0.00 H new ATOM 0 HG23 THR A 108 7.231 -12.997 2.954 1.00 0.00 H new ATOM 376 N GLN A 109 4.675 -8.803 3.708 1.00 0.00 N ATOM 377 CA GLN A 109 4.057 -7.602 4.246 1.00 0.00 C ATOM 378 C GLN A 109 2.567 -7.590 3.923 1.00 0.00 C ATOM 379 O GLN A 109 2.163 -7.958 2.822 1.00 0.00 O ATOM 380 CB GLN A 109 4.724 -6.351 3.664 1.00 0.00 C ATOM 381 CG GLN A 109 4.113 -5.045 4.147 1.00 0.00 C ATOM 382 CD GLN A 109 4.582 -3.848 3.344 1.00 0.00 C ATOM 383 OE1 GLN A 109 3.988 -3.502 2.329 1.00 0.00 O ATOM 384 NE2 GLN A 109 5.636 -3.197 3.800 1.00 0.00 N ATOM 0 H GLN A 109 5.100 -8.682 2.789 1.00 0.00 H new ATOM 0 HA GLN A 109 4.189 -7.600 5.328 1.00 0.00 H new ATOM 0 HB2 GLN A 109 5.783 -6.363 3.922 1.00 0.00 H new ATOM 0 HB3 GLN A 109 4.661 -6.390 2.577 1.00 0.00 H new ATOM 0 HG2 GLN A 109 3.027 -5.113 4.089 1.00 0.00 H new ATOM 0 HG3 GLN A 109 4.367 -4.896 5.196 1.00 0.00 H new ATOM 0 HE21 GLN A 109 6.104 -3.515 4.648 1.00 0.00 H new ATOM 0 HE22 GLN A 109 5.982 -2.376 3.304 1.00 0.00 H new ATOM 393 N THR A 110 1.755 -7.190 4.887 1.00 0.00 N ATOM 394 CA THR A 110 0.326 -7.053 4.666 1.00 0.00 C ATOM 395 C THR A 110 0.010 -5.657 4.139 1.00 0.00 C ATOM 396 O THR A 110 0.835 -4.746 4.254 1.00 0.00 O ATOM 397 CB THR A 110 -0.462 -7.289 5.967 1.00 0.00 C ATOM 398 OG1 THR A 110 0.052 -6.436 7.001 1.00 0.00 O ATOM 399 CG2 THR A 110 -0.371 -8.745 6.403 1.00 0.00 C ATOM 0 H THR A 110 2.062 -6.954 5.831 1.00 0.00 H new ATOM 0 HA THR A 110 0.028 -7.803 3.933 1.00 0.00 H new ATOM 0 HB THR A 110 -1.511 -7.054 5.785 1.00 0.00 H new ATOM 0 HG1 THR A 110 -0.451 -6.586 7.829 1.00 0.00 H new ATOM 0 HG21 THR A 110 -0.936 -8.885 7.324 1.00 0.00 H new ATOM 0 HG22 THR A 110 -0.784 -9.385 5.623 1.00 0.00 H new ATOM 0 HG23 THR A 110 0.673 -9.009 6.574 1.00 0.00 H new ATOM 407 N VAL A 111 -1.182 -5.475 3.577 1.00 0.00 N ATOM 408 CA VAL A 111 -1.596 -4.152 3.107 1.00 0.00 C ATOM 409 C VAL A 111 -1.703 -3.191 4.293 1.00 0.00 C ATOM 410 O VAL A 111 -1.525 -1.980 4.153 1.00 0.00 O ATOM 411 CB VAL A 111 -2.948 -4.195 2.366 1.00 0.00 C ATOM 412 CG1 VAL A 111 -3.157 -2.932 1.539 1.00 0.00 C ATOM 413 CG2 VAL A 111 -3.054 -5.441 1.496 1.00 0.00 C ATOM 0 H VAL A 111 -1.871 -6.214 3.436 1.00 0.00 H new ATOM 0 HA VAL A 111 -0.838 -3.805 2.404 1.00 0.00 H new ATOM 0 HB VAL A 111 -3.739 -4.241 3.114 1.00 0.00 H new ATOM 0 HG11 VAL A 111 -4.117 -2.987 1.027 1.00 0.00 H new ATOM 0 HG12 VAL A 111 -3.145 -2.062 2.195 1.00 0.00 H new ATOM 0 HG13 VAL A 111 -2.358 -2.842 0.803 1.00 0.00 H new ATOM 0 HG21 VAL A 111 -4.017 -5.447 0.985 1.00 0.00 H new ATOM 0 HG22 VAL A 111 -2.251 -5.439 0.759 1.00 0.00 H new ATOM 0 HG23 VAL A 111 -2.970 -6.330 2.121 1.00 0.00 H new ATOM 423 N ALA A 112 -1.977 -3.751 5.467 1.00 0.00 N ATOM 424 CA ALA A 112 -2.039 -2.973 6.696 1.00 0.00 C ATOM 425 C ALA A 112 -0.670 -2.395 7.039 1.00 0.00 C ATOM 426 O ALA A 112 -0.564 -1.264 7.511 1.00 0.00 O ATOM 427 CB ALA A 112 -2.550 -3.838 7.836 1.00 0.00 C ATOM 0 H ALA A 112 -2.160 -4.747 5.592 1.00 0.00 H new ATOM 0 HA ALA A 112 -2.730 -2.144 6.546 1.00 0.00 H new ATOM 0 HB1 ALA A 112 -2.593 -3.247 8.751 1.00 0.00 H new ATOM 0 HB2 ALA A 112 -3.547 -4.206 7.595 1.00 0.00 H new ATOM 0 HB3 ALA A 112 -1.877 -4.683 7.981 1.00 0.00 H new ATOM 433 N HIS A 113 0.378 -3.173 6.790 1.00 0.00 N ATOM 434 CA HIS A 113 1.738 -2.714 7.041 1.00 0.00 C ATOM 435 C HIS A 113 2.137 -1.646 6.032 1.00 0.00 C ATOM 436 O HIS A 113 2.873 -0.719 6.363 1.00 0.00 O ATOM 437 CB HIS A 113 2.730 -3.880 7.021 1.00 0.00 C ATOM 438 CG HIS A 113 2.959 -4.481 8.373 1.00 0.00 C ATOM 439 ND1 HIS A 113 4.052 -4.174 9.158 1.00 0.00 N ATOM 440 CD2 HIS A 113 2.228 -5.371 9.085 1.00 0.00 C ATOM 441 CE1 HIS A 113 3.981 -4.851 10.289 1.00 0.00 C ATOM 442 NE2 HIS A 113 2.885 -5.582 10.269 1.00 0.00 N ATOM 0 H HIS A 113 0.312 -4.120 6.416 1.00 0.00 H new ATOM 0 HA HIS A 113 1.765 -2.273 8.038 1.00 0.00 H new ATOM 0 HB2 HIS A 113 2.361 -4.651 6.345 1.00 0.00 H new ATOM 0 HB3 HIS A 113 3.682 -3.532 6.619 1.00 0.00 H new ATOM 0 HD2 HIS A 113 1.300 -5.829 8.777 1.00 0.00 H new ATOM 0 HE1 HIS A 113 4.700 -4.812 11.094 1.00 0.00 H new ATOM 0 HE2 HIS A 113 2.575 -6.205 11.015 1.00 0.00 H new ATOM 451 N LEU A 114 1.640 -1.774 4.806 1.00 0.00 N ATOM 452 CA LEU A 114 1.835 -0.742 3.794 1.00 0.00 C ATOM 453 C LEU A 114 1.201 0.567 4.258 1.00 0.00 C ATOM 454 O LEU A 114 1.815 1.633 4.175 1.00 0.00 O ATOM 455 CB LEU A 114 1.226 -1.178 2.456 1.00 0.00 C ATOM 456 CG LEU A 114 1.293 -0.133 1.338 1.00 0.00 C ATOM 457 CD1 LEU A 114 2.738 0.183 0.981 1.00 0.00 C ATOM 458 CD2 LEU A 114 0.531 -0.612 0.111 1.00 0.00 C ATOM 0 H LEU A 114 1.101 -2.580 4.490 1.00 0.00 H new ATOM 0 HA LEU A 114 2.905 -0.590 3.652 1.00 0.00 H new ATOM 0 HB2 LEU A 114 1.737 -2.080 2.119 1.00 0.00 H new ATOM 0 HB3 LEU A 114 0.182 -1.445 2.620 1.00 0.00 H new ATOM 0 HG LEU A 114 0.823 0.782 1.699 1.00 0.00 H new ATOM 0 HD11 LEU A 114 2.762 0.927 0.185 1.00 0.00 H new ATOM 0 HD12 LEU A 114 3.253 0.574 1.859 1.00 0.00 H new ATOM 0 HD13 LEU A 114 3.236 -0.726 0.643 1.00 0.00 H new ATOM 0 HD21 LEU A 114 0.590 0.144 -0.672 1.00 0.00 H new ATOM 0 HD22 LEU A 114 0.969 -1.543 -0.249 1.00 0.00 H new ATOM 0 HD23 LEU A 114 -0.513 -0.781 0.374 1.00 0.00 H new ATOM 470 N LYS A 115 -0.028 0.476 4.766 1.00 0.00 N ATOM 471 CA LYS A 115 -0.715 1.638 5.313 1.00 0.00 C ATOM 472 C LYS A 115 0.091 2.233 6.462 1.00 0.00 C ATOM 473 O LYS A 115 0.198 3.449 6.588 1.00 0.00 O ATOM 474 CB LYS A 115 -2.117 1.265 5.815 1.00 0.00 C ATOM 475 CG LYS A 115 -2.947 2.473 6.231 1.00 0.00 C ATOM 476 CD LYS A 115 -4.191 2.080 7.018 1.00 0.00 C ATOM 477 CE LYS A 115 -3.831 1.533 8.392 1.00 0.00 C ATOM 478 NZ LYS A 115 -5.035 1.269 9.226 1.00 0.00 N ATOM 0 H LYS A 115 -0.565 -0.390 4.809 1.00 0.00 H new ATOM 0 HA LYS A 115 -0.814 2.374 4.515 1.00 0.00 H new ATOM 0 HB2 LYS A 115 -2.644 0.723 5.030 1.00 0.00 H new ATOM 0 HB3 LYS A 115 -2.024 0.587 6.663 1.00 0.00 H new ATOM 0 HG2 LYS A 115 -2.334 3.141 6.836 1.00 0.00 H new ATOM 0 HG3 LYS A 115 -3.244 3.030 5.342 1.00 0.00 H new ATOM 0 HD2 LYS A 115 -4.842 2.947 7.129 1.00 0.00 H new ATOM 0 HD3 LYS A 115 -4.753 1.329 6.462 1.00 0.00 H new ATOM 0 HE2 LYS A 115 -3.262 0.610 8.276 1.00 0.00 H new ATOM 0 HE3 LYS A 115 -3.184 2.244 8.906 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 -4.783 0.631 10.007 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 -5.393 2.166 9.613 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 -5.772 0.826 8.641 1.00 0.00 H new ATOM 492 N GLN A 116 0.666 1.363 7.285 1.00 0.00 N ATOM 493 CA GLN A 116 1.430 1.788 8.457 1.00 0.00 C ATOM 494 C GLN A 116 2.709 2.518 8.051 1.00 0.00 C ATOM 495 O GLN A 116 3.169 3.421 8.752 1.00 0.00 O ATOM 496 CB GLN A 116 1.759 0.583 9.339 1.00 0.00 C ATOM 497 CG GLN A 116 2.384 0.955 10.674 1.00 0.00 C ATOM 498 CD GLN A 116 2.550 -0.240 11.590 1.00 0.00 C ATOM 499 OE1 GLN A 116 2.765 -1.365 11.135 1.00 0.00 O ATOM 500 NE2 GLN A 116 2.434 -0.008 12.886 1.00 0.00 N ATOM 0 H GLN A 116 0.618 0.352 7.162 1.00 0.00 H new ATOM 0 HA GLN A 116 0.815 2.485 9.026 1.00 0.00 H new ATOM 0 HB2 GLN A 116 0.845 0.017 9.521 1.00 0.00 H new ATOM 0 HB3 GLN A 116 2.440 -0.075 8.800 1.00 0.00 H new ATOM 0 HG2 GLN A 116 3.357 1.414 10.501 1.00 0.00 H new ATOM 0 HG3 GLN A 116 1.763 1.703 11.167 1.00 0.00 H new ATOM 0 HE21 GLN A 116 2.256 0.939 13.221 1.00 0.00 H new ATOM 0 HE22 GLN A 116 2.523 -0.776 13.551 1.00 0.00 H new ATOM 509 N GLN A 117 3.282 2.126 6.922 1.00 0.00 N ATOM 510 CA GLN A 117 4.432 2.830 6.366 1.00 0.00 C ATOM 511 C GLN A 117 4.028 4.263 6.033 1.00 0.00 C ATOM 512 O GLN A 117 4.668 5.242 6.454 1.00 0.00 O ATOM 513 CB GLN A 117 4.932 2.114 5.108 1.00 0.00 C ATOM 514 CG GLN A 117 6.223 2.687 4.547 1.00 0.00 C ATOM 515 CD GLN A 117 6.716 1.921 3.336 1.00 0.00 C ATOM 516 OE1 GLN A 117 6.399 2.261 2.200 1.00 0.00 O ATOM 517 NE2 GLN A 117 7.481 0.866 3.573 1.00 0.00 N ATOM 0 H GLN A 117 2.971 1.325 6.372 1.00 0.00 H new ATOM 0 HA GLN A 117 5.240 2.842 7.098 1.00 0.00 H new ATOM 0 HB2 GLN A 117 5.083 1.059 5.338 1.00 0.00 H new ATOM 0 HB3 GLN A 117 4.159 2.165 4.341 1.00 0.00 H new ATOM 0 HG2 GLN A 117 6.066 3.731 4.274 1.00 0.00 H new ATOM 0 HG3 GLN A 117 6.991 2.672 5.321 1.00 0.00 H new ATOM 0 HE21 GLN A 117 7.722 0.616 4.532 1.00 0.00 H new ATOM 0 HE22 GLN A 117 7.829 0.304 2.796 1.00 0.00 H new ATOM 526 N VAL A 118 2.934 4.376 5.298 1.00 0.00 N ATOM 527 CA VAL A 118 2.381 5.671 4.957 1.00 0.00 C ATOM 528 C VAL A 118 1.964 6.407 6.227 1.00 0.00 C ATOM 529 O VAL A 118 2.059 7.621 6.298 1.00 0.00 O ATOM 530 CB VAL A 118 1.174 5.548 4.001 1.00 0.00 C ATOM 531 CG1 VAL A 118 0.730 6.920 3.517 1.00 0.00 C ATOM 532 CG2 VAL A 118 1.514 4.653 2.820 1.00 0.00 C ATOM 0 H VAL A 118 2.412 3.583 4.926 1.00 0.00 H new ATOM 0 HA VAL A 118 3.156 6.237 4.440 1.00 0.00 H new ATOM 0 HB VAL A 118 0.350 5.094 4.551 1.00 0.00 H new ATOM 0 HG11 VAL A 118 -0.121 6.811 2.845 1.00 0.00 H new ATOM 0 HG12 VAL A 118 0.441 7.532 4.372 1.00 0.00 H new ATOM 0 HG13 VAL A 118 1.551 7.402 2.987 1.00 0.00 H new ATOM 0 HG21 VAL A 118 0.651 4.579 2.159 1.00 0.00 H new ATOM 0 HG22 VAL A 118 2.355 5.077 2.272 1.00 0.00 H new ATOM 0 HG23 VAL A 118 1.780 3.660 3.181 1.00 0.00 H new ATOM 542 N SER A 119 1.535 5.656 7.240 1.00 0.00 N ATOM 543 CA SER A 119 1.153 6.234 8.526 1.00 0.00 C ATOM 544 C SER A 119 2.356 6.870 9.222 1.00 0.00 C ATOM 545 O SER A 119 2.208 7.807 10.005 1.00 0.00 O ATOM 546 CB SER A 119 0.526 5.170 9.432 1.00 0.00 C ATOM 547 OG SER A 119 -0.622 4.597 8.832 1.00 0.00 O ATOM 0 H SER A 119 1.443 4.641 7.194 1.00 0.00 H new ATOM 0 HA SER A 119 0.415 7.013 8.334 1.00 0.00 H new ATOM 0 HB2 SER A 119 1.258 4.390 9.641 1.00 0.00 H new ATOM 0 HB3 SER A 119 0.255 5.617 10.388 1.00 0.00 H new ATOM 0 HG SER A 119 -0.368 4.159 7.993 1.00 0.00 H new ATOM 553 N GLY A 120 3.542 6.361 8.931 1.00 0.00 N ATOM 554 CA GLY A 120 4.742 6.938 9.493 1.00 0.00 C ATOM 555 C GLY A 120 5.089 8.257 8.836 1.00 0.00 C ATOM 556 O GLY A 120 5.594 9.173 9.485 1.00 0.00 O ATOM 0 H GLY A 120 3.694 5.561 8.317 1.00 0.00 H new ATOM 0 HA2 GLY A 120 4.606 7.089 10.564 1.00 0.00 H new ATOM 0 HA3 GLY A 120 5.572 6.242 9.372 1.00 0.00 H new ATOM 560 N LEU A 121 4.817 8.355 7.540 1.00 0.00 N ATOM 561 CA LEU A 121 5.105 9.579 6.789 1.00 0.00 C ATOM 562 C LEU A 121 3.890 10.519 6.732 1.00 0.00 C ATOM 563 O LEU A 121 3.887 11.598 7.320 1.00 0.00 O ATOM 564 CB LEU A 121 5.544 9.223 5.367 1.00 0.00 C ATOM 565 CG LEU A 121 6.755 8.291 5.273 1.00 0.00 C ATOM 566 CD1 LEU A 121 7.027 7.917 3.824 1.00 0.00 C ATOM 567 CD2 LEU A 121 7.984 8.939 5.893 1.00 0.00 C ATOM 0 H LEU A 121 4.399 7.607 6.986 1.00 0.00 H new ATOM 0 HA LEU A 121 5.907 10.103 7.309 1.00 0.00 H new ATOM 0 HB2 LEU A 121 4.705 8.756 4.851 1.00 0.00 H new ATOM 0 HB3 LEU A 121 5.773 10.145 4.833 1.00 0.00 H new ATOM 0 HG LEU A 121 6.530 7.382 5.831 1.00 0.00 H new ATOM 0 HD11 LEU A 121 7.891 7.254 3.775 1.00 0.00 H new ATOM 0 HD12 LEU A 121 6.156 7.409 3.410 1.00 0.00 H new ATOM 0 HD13 LEU A 121 7.229 8.819 3.247 1.00 0.00 H new ATOM 0 HD21 LEU A 121 8.832 8.259 5.815 1.00 0.00 H new ATOM 0 HD22 LEU A 121 8.212 9.865 5.366 1.00 0.00 H new ATOM 0 HD23 LEU A 121 7.790 9.157 6.943 1.00 0.00 H new ATOM 579 N GLU A 122 2.860 10.076 6.026 1.00 0.00 N ATOM 580 CA GLU A 122 1.680 10.883 5.714 1.00 0.00 C ATOM 581 C GLU A 122 0.519 10.536 6.651 1.00 0.00 C ATOM 582 O GLU A 122 -0.624 10.907 6.396 1.00 0.00 O ATOM 583 CB GLU A 122 1.290 10.679 4.248 1.00 0.00 C ATOM 584 CG GLU A 122 0.294 11.696 3.720 1.00 0.00 C ATOM 585 CD GLU A 122 0.802 13.115 3.845 1.00 0.00 C ATOM 586 OE1 GLU A 122 0.555 13.746 4.888 1.00 0.00 O ATOM 587 OE2 GLU A 122 1.441 13.615 2.897 1.00 0.00 O ATOM 0 H GLU A 122 2.816 9.131 5.646 1.00 0.00 H new ATOM 0 HA GLU A 122 1.918 11.936 5.867 1.00 0.00 H new ATOM 0 HB2 GLU A 122 2.191 10.718 3.636 1.00 0.00 H new ATOM 0 HB3 GLU A 122 0.869 9.681 4.132 1.00 0.00 H new ATOM 0 HG2 GLU A 122 0.078 11.481 2.674 1.00 0.00 H new ATOM 0 HG3 GLU A 122 -0.645 11.599 4.266 1.00 0.00 H new ATOM 594 N GLY A 123 0.846 9.748 7.677 1.00 0.00 N ATOM 595 CA GLY A 123 -0.100 9.182 8.654 1.00 0.00 C ATOM 596 C GLY A 123 -1.185 10.094 9.236 1.00 0.00 C ATOM 597 O GLY A 123 -1.832 9.700 10.202 1.00 0.00 O ATOM 0 H GLY A 123 1.811 9.474 7.861 1.00 0.00 H new ATOM 0 HA2 GLY A 123 -0.598 8.335 8.181 1.00 0.00 H new ATOM 0 HA3 GLY A 123 0.481 8.786 9.487 1.00 0.00 H new ATOM 601 N VAL A 124 -1.328 11.307 8.727 1.00 0.00 N ATOM 602 CA VAL A 124 -2.414 12.208 9.110 1.00 0.00 C ATOM 603 C VAL A 124 -3.774 11.502 9.076 1.00 0.00 C ATOM 604 O VAL A 124 -4.428 11.482 8.035 1.00 0.00 O ATOM 605 CB VAL A 124 -2.485 13.405 8.143 1.00 0.00 C ATOM 606 CG1 VAL A 124 -3.609 14.354 8.539 1.00 0.00 C ATOM 607 CG2 VAL A 124 -1.141 14.117 8.061 1.00 0.00 C ATOM 0 H VAL A 124 -0.693 11.701 8.033 1.00 0.00 H new ATOM 0 HA VAL A 124 -2.202 12.542 10.126 1.00 0.00 H new ATOM 0 HB VAL A 124 -2.713 13.030 7.145 1.00 0.00 H new ATOM 0 HG11 VAL A 124 -3.640 15.192 7.842 1.00 0.00 H new ATOM 0 HG12 VAL A 124 -4.560 13.823 8.511 1.00 0.00 H new ATOM 0 HG13 VAL A 124 -3.432 14.727 9.548 1.00 0.00 H new ATOM 0 HG21 VAL A 124 -1.216 14.958 7.372 1.00 0.00 H new ATOM 0 HG22 VAL A 124 -0.861 14.481 9.050 1.00 0.00 H new ATOM 0 HG23 VAL A 124 -0.382 13.422 7.703 1.00 0.00 H new ATOM 617 N GLN A 125 -4.173 10.929 10.218 1.00 0.00 N ATOM 618 CA GLN A 125 -5.444 10.209 10.355 1.00 0.00 C ATOM 619 C GLN A 125 -5.595 9.121 9.291 1.00 0.00 C ATOM 620 O GLN A 125 -5.908 9.400 8.135 1.00 0.00 O ATOM 621 CB GLN A 125 -6.628 11.180 10.313 1.00 0.00 C ATOM 622 CG GLN A 125 -6.741 12.041 11.560 1.00 0.00 C ATOM 623 CD GLN A 125 -7.869 13.048 11.484 1.00 0.00 C ATOM 624 OE1 GLN A 125 -7.679 14.179 11.038 1.00 0.00 O ATOM 625 NE2 GLN A 125 -9.053 12.649 11.918 1.00 0.00 N ATOM 0 H GLN A 125 -3.621 10.952 11.076 1.00 0.00 H new ATOM 0 HA GLN A 125 -5.438 9.717 11.328 1.00 0.00 H new ATOM 0 HB2 GLN A 125 -6.529 11.826 9.441 1.00 0.00 H new ATOM 0 HB3 GLN A 125 -7.550 10.613 10.186 1.00 0.00 H new ATOM 0 HG2 GLN A 125 -6.894 11.397 12.426 1.00 0.00 H new ATOM 0 HG3 GLN A 125 -5.800 12.569 11.717 1.00 0.00 H new ATOM 0 HE21 GLN A 125 -9.171 11.703 12.281 1.00 0.00 H new ATOM 0 HE22 GLN A 125 -9.848 13.287 11.890 1.00 0.00 H new ATOM 634 N ASP A 126 -5.411 7.869 9.704 1.00 0.00 N ATOM 635 CA ASP A 126 -5.390 6.733 8.774 1.00 0.00 C ATOM 636 C ASP A 126 -6.770 6.453 8.169 1.00 0.00 C ATOM 637 O ASP A 126 -6.978 5.423 7.527 1.00 0.00 O ATOM 638 CB ASP A 126 -4.852 5.472 9.469 1.00 0.00 C ATOM 639 CG ASP A 126 -5.867 4.796 10.370 1.00 0.00 C ATOM 640 OD1 ASP A 126 -6.480 5.483 11.218 1.00 0.00 O ATOM 641 OD2 ASP A 126 -6.049 3.563 10.243 1.00 0.00 O ATOM 0 H ASP A 126 -5.273 7.611 10.681 1.00 0.00 H new ATOM 0 HA ASP A 126 -4.722 7.004 7.957 1.00 0.00 H new ATOM 0 HB2 ASP A 126 -4.522 4.762 8.711 1.00 0.00 H new ATOM 0 HB3 ASP A 126 -3.975 5.739 10.059 1.00 0.00 H new ATOM 646 N ASP A 127 -7.706 7.372 8.371 1.00 0.00 N ATOM 647 CA ASP A 127 -9.012 7.278 7.744 1.00 0.00 C ATOM 648 C ASP A 127 -9.239 8.470 6.813 1.00 0.00 C ATOM 649 O ASP A 127 -10.249 8.531 6.115 1.00 0.00 O ATOM 650 CB ASP A 127 -10.125 7.191 8.792 1.00 0.00 C ATOM 651 CG ASP A 127 -10.352 8.492 9.532 1.00 0.00 C ATOM 652 OD1 ASP A 127 -9.406 8.992 10.171 1.00 0.00 O ATOM 653 OD2 ASP A 127 -11.488 9.016 9.487 1.00 0.00 O ATOM 0 H ASP A 127 -7.582 8.191 8.966 1.00 0.00 H new ATOM 0 HA ASP A 127 -9.040 6.362 7.154 1.00 0.00 H new ATOM 0 HB2 ASP A 127 -11.052 6.892 8.303 1.00 0.00 H new ATOM 0 HB3 ASP A 127 -9.878 6.410 9.511 1.00 0.00 H new ATOM 658 N LEU A 128 -8.304 9.425 6.808 1.00 0.00 N ATOM 659 CA LEU A 128 -8.341 10.507 5.836 1.00 0.00 C ATOM 660 C LEU A 128 -7.496 10.142 4.628 1.00 0.00 C ATOM 661 O LEU A 128 -7.784 10.557 3.506 1.00 0.00 O ATOM 662 CB LEU A 128 -7.852 11.823 6.441 1.00 0.00 C ATOM 663 CG LEU A 128 -8.806 12.467 7.448 1.00 0.00 C ATOM 664 CD1 LEU A 128 -8.245 13.793 7.933 1.00 0.00 C ATOM 665 CD2 LEU A 128 -10.183 12.664 6.828 1.00 0.00 C ATOM 0 H LEU A 128 -7.522 9.466 7.462 1.00 0.00 H new ATOM 0 HA LEU A 128 -9.377 10.648 5.528 1.00 0.00 H new ATOM 0 HB2 LEU A 128 -6.895 11.646 6.932 1.00 0.00 H new ATOM 0 HB3 LEU A 128 -7.669 12.531 5.633 1.00 0.00 H new ATOM 0 HG LEU A 128 -8.908 11.800 8.304 1.00 0.00 H new ATOM 0 HD11 LEU A 128 -8.935 14.240 8.649 1.00 0.00 H new ATOM 0 HD12 LEU A 128 -7.281 13.626 8.413 1.00 0.00 H new ATOM 0 HD13 LEU A 128 -8.116 14.466 7.085 1.00 0.00 H new ATOM 0 HD21 LEU A 128 -10.849 13.123 7.559 1.00 0.00 H new ATOM 0 HD22 LEU A 128 -10.100 13.312 5.955 1.00 0.00 H new ATOM 0 HD23 LEU A 128 -10.587 11.698 6.526 1.00 0.00 H new ATOM 677 N PHE A 129 -6.450 9.365 4.858 1.00 0.00 N ATOM 678 CA PHE A 129 -5.667 8.822 3.765 1.00 0.00 C ATOM 679 C PHE A 129 -5.905 7.321 3.685 1.00 0.00 C ATOM 680 O PHE A 129 -5.923 6.630 4.703 1.00 0.00 O ATOM 681 CB PHE A 129 -4.169 9.136 3.928 1.00 0.00 C ATOM 682 CG PHE A 129 -3.453 8.289 4.948 1.00 0.00 C ATOM 683 CD1 PHE A 129 -3.440 8.649 6.285 1.00 0.00 C ATOM 684 CD2 PHE A 129 -2.790 7.133 4.564 1.00 0.00 C ATOM 685 CE1 PHE A 129 -2.783 7.873 7.217 1.00 0.00 C ATOM 686 CE2 PHE A 129 -2.131 6.353 5.494 1.00 0.00 C ATOM 687 CZ PHE A 129 -2.129 6.723 6.823 1.00 0.00 C ATOM 0 H PHE A 129 -6.126 9.098 5.788 1.00 0.00 H new ATOM 0 HA PHE A 129 -5.986 9.292 2.835 1.00 0.00 H new ATOM 0 HB2 PHE A 129 -3.679 9.010 2.963 1.00 0.00 H new ATOM 0 HB3 PHE A 129 -4.060 10.184 4.206 1.00 0.00 H new ATOM 0 HD1 PHE A 129 -3.950 9.547 6.601 1.00 0.00 H new ATOM 0 HD2 PHE A 129 -2.789 6.839 3.525 1.00 0.00 H new ATOM 0 HE1 PHE A 129 -2.780 8.166 8.257 1.00 0.00 H new ATOM 0 HE2 PHE A 129 -1.618 5.455 5.181 1.00 0.00 H new ATOM 0 HZ PHE A 129 -1.617 6.114 7.554 1.00 0.00 H new ATOM 697 N TRP A 130 -6.113 6.825 2.481 1.00 0.00 N ATOM 698 CA TRP A 130 -6.417 5.421 2.286 1.00 0.00 C ATOM 699 C TRP A 130 -6.027 4.996 0.876 1.00 0.00 C ATOM 700 O TRP A 130 -6.289 5.702 -0.090 1.00 0.00 O ATOM 701 CB TRP A 130 -7.904 5.179 2.559 1.00 0.00 C ATOM 702 CG TRP A 130 -8.346 3.758 2.394 1.00 0.00 C ATOM 703 CD1 TRP A 130 -9.536 3.344 1.881 1.00 0.00 C ATOM 704 CD2 TRP A 130 -7.618 2.567 2.728 1.00 0.00 C ATOM 705 NE1 TRP A 130 -9.606 1.980 1.886 1.00 0.00 N ATOM 706 CE2 TRP A 130 -8.440 1.478 2.390 1.00 0.00 C ATOM 707 CE3 TRP A 130 -6.356 2.311 3.277 1.00 0.00 C ATOM 708 CZ2 TRP A 130 -8.047 0.163 2.579 1.00 0.00 C ATOM 709 CZ3 TRP A 130 -5.966 0.999 3.458 1.00 0.00 C ATOM 710 CH2 TRP A 130 -6.811 -0.060 3.107 1.00 0.00 C ATOM 0 H TRP A 130 -6.077 7.374 1.622 1.00 0.00 H new ATOM 0 HA TRP A 130 -5.840 4.815 2.985 1.00 0.00 H new ATOM 0 HB2 TRP A 130 -8.130 5.500 3.576 1.00 0.00 H new ATOM 0 HB3 TRP A 130 -8.490 5.808 1.889 1.00 0.00 H new ATOM 0 HD1 TRP A 130 -10.314 4.000 1.521 1.00 0.00 H new ATOM 0 HE1 TRP A 130 -10.400 1.426 1.565 1.00 0.00 H new ATOM 0 HE3 TRP A 130 -5.701 3.124 3.553 1.00 0.00 H new ATOM 0 HZ2 TRP A 130 -8.698 -0.658 2.317 1.00 0.00 H new ATOM 0 HZ3 TRP A 130 -4.994 0.787 3.877 1.00 0.00 H new ATOM 0 HH2 TRP A 130 -6.476 -1.076 3.258 1.00 0.00 H new ATOM 721 N LEU A 131 -5.392 3.846 0.766 1.00 0.00 N ATOM 722 CA LEU A 131 -4.857 3.393 -0.505 1.00 0.00 C ATOM 723 C LEU A 131 -5.728 2.294 -1.094 1.00 0.00 C ATOM 724 O LEU A 131 -6.094 1.341 -0.411 1.00 0.00 O ATOM 725 CB LEU A 131 -3.415 2.886 -0.345 1.00 0.00 C ATOM 726 CG LEU A 131 -2.359 3.943 0.015 1.00 0.00 C ATOM 727 CD1 LEU A 131 -2.473 4.369 1.473 1.00 0.00 C ATOM 728 CD2 LEU A 131 -0.964 3.411 -0.270 1.00 0.00 C ATOM 0 H LEU A 131 -5.233 3.205 1.544 1.00 0.00 H new ATOM 0 HA LEU A 131 -4.854 4.244 -1.186 1.00 0.00 H new ATOM 0 HB2 LEU A 131 -3.406 2.117 0.427 1.00 0.00 H new ATOM 0 HB3 LEU A 131 -3.115 2.406 -1.277 1.00 0.00 H new ATOM 0 HG LEU A 131 -2.539 4.821 -0.605 1.00 0.00 H new ATOM 0 HD11 LEU A 131 -1.712 5.117 1.694 1.00 0.00 H new ATOM 0 HD12 LEU A 131 -3.461 4.793 1.652 1.00 0.00 H new ATOM 0 HD13 LEU A 131 -2.328 3.502 2.118 1.00 0.00 H new ATOM 0 HD21 LEU A 131 -0.225 4.169 -0.011 1.00 0.00 H new ATOM 0 HD22 LEU A 131 -0.788 2.515 0.325 1.00 0.00 H new ATOM 0 HD23 LEU A 131 -0.877 3.167 -1.329 1.00 0.00 H new ATOM 740 N THR A 132 -6.056 2.444 -2.362 1.00 0.00 N ATOM 741 CA THR A 132 -6.887 1.487 -3.068 1.00 0.00 C ATOM 742 C THR A 132 -6.285 1.197 -4.439 1.00 0.00 C ATOM 743 O THR A 132 -5.752 2.095 -5.092 1.00 0.00 O ATOM 744 CB THR A 132 -8.323 2.027 -3.204 1.00 0.00 C ATOM 745 OG1 THR A 132 -8.298 3.376 -3.684 1.00 0.00 O ATOM 746 CG2 THR A 132 -9.046 1.980 -1.866 1.00 0.00 C ATOM 0 H THR A 132 -5.754 3.233 -2.933 1.00 0.00 H new ATOM 0 HA THR A 132 -6.927 0.557 -2.500 1.00 0.00 H new ATOM 0 HB THR A 132 -8.857 1.397 -3.915 1.00 0.00 H new ATOM 0 HG1 THR A 132 -9.215 3.710 -3.769 1.00 0.00 H new ATOM 0 HG21 THR A 132 -10.058 2.366 -1.986 1.00 0.00 H new ATOM 0 HG22 THR A 132 -9.090 0.950 -1.512 1.00 0.00 H new ATOM 0 HG23 THR A 132 -8.508 2.590 -1.140 1.00 0.00 H new ATOM 754 N PHE A 133 -6.334 -0.058 -4.862 1.00 0.00 N ATOM 755 CA PHE A 133 -5.699 -0.445 -6.114 1.00 0.00 C ATOM 756 C PHE A 133 -6.726 -0.695 -7.219 1.00 0.00 C ATOM 757 O PHE A 133 -7.004 0.192 -8.021 1.00 0.00 O ATOM 758 CB PHE A 133 -4.790 -1.667 -5.909 1.00 0.00 C ATOM 759 CG PHE A 133 -4.305 -2.279 -7.192 1.00 0.00 C ATOM 760 CD1 PHE A 133 -3.941 -1.483 -8.266 1.00 0.00 C ATOM 761 CD2 PHE A 133 -4.247 -3.653 -7.331 1.00 0.00 C ATOM 762 CE1 PHE A 133 -3.536 -2.047 -9.457 1.00 0.00 C ATOM 763 CE2 PHE A 133 -3.833 -4.223 -8.517 1.00 0.00 C ATOM 764 CZ PHE A 133 -3.482 -3.417 -9.582 1.00 0.00 C ATOM 0 H PHE A 133 -6.800 -0.817 -4.365 1.00 0.00 H new ATOM 0 HA PHE A 133 -5.078 0.389 -6.440 1.00 0.00 H new ATOM 0 HB2 PHE A 133 -3.929 -1.372 -5.309 1.00 0.00 H new ATOM 0 HB3 PHE A 133 -5.333 -2.421 -5.339 1.00 0.00 H new ATOM 0 HD1 PHE A 133 -3.975 -0.408 -8.169 1.00 0.00 H new ATOM 0 HD2 PHE A 133 -4.529 -4.287 -6.503 1.00 0.00 H new ATOM 0 HE1 PHE A 133 -3.262 -1.416 -10.290 1.00 0.00 H new ATOM 0 HE2 PHE A 133 -3.783 -5.298 -8.612 1.00 0.00 H new ATOM 0 HZ PHE A 133 -3.165 -3.862 -10.514 1.00 0.00 H new ATOM 774 N GLU A 134 -7.304 -1.889 -7.246 1.00 0.00 N ATOM 775 CA GLU A 134 -8.192 -2.292 -8.341 1.00 0.00 C ATOM 776 C GLU A 134 -9.586 -1.673 -8.200 1.00 0.00 C ATOM 777 O GLU A 134 -10.567 -2.208 -8.715 1.00 0.00 O ATOM 778 CB GLU A 134 -8.306 -3.819 -8.395 1.00 0.00 C ATOM 779 CG GLU A 134 -7.030 -4.491 -8.865 1.00 0.00 C ATOM 780 CD GLU A 134 -7.112 -6.004 -8.895 1.00 0.00 C ATOM 781 OE1 GLU A 134 -8.110 -6.566 -8.403 1.00 0.00 O ATOM 782 OE2 GLU A 134 -6.165 -6.642 -9.414 1.00 0.00 O ATOM 0 H GLU A 134 -7.177 -2.599 -6.525 1.00 0.00 H new ATOM 0 HA GLU A 134 -7.754 -1.925 -9.269 1.00 0.00 H new ATOM 0 HB2 GLU A 134 -8.564 -4.194 -7.405 1.00 0.00 H new ATOM 0 HB3 GLU A 134 -9.122 -4.094 -9.063 1.00 0.00 H new ATOM 0 HG2 GLU A 134 -6.787 -4.130 -9.864 1.00 0.00 H new ATOM 0 HG3 GLU A 134 -6.211 -4.194 -8.210 1.00 0.00 H new ATOM 789 N GLY A 135 -9.663 -0.535 -7.520 1.00 0.00 N ATOM 790 CA GLY A 135 -10.945 0.090 -7.248 1.00 0.00 C ATOM 791 C GLY A 135 -11.504 -0.357 -5.916 1.00 0.00 C ATOM 792 O GLY A 135 -12.512 0.166 -5.436 1.00 0.00 O ATOM 0 H GLY A 135 -8.857 -0.031 -7.150 1.00 0.00 H new ATOM 0 HA2 GLY A 135 -10.831 1.174 -7.251 1.00 0.00 H new ATOM 0 HA3 GLY A 135 -11.649 -0.159 -8.042 1.00 0.00 H new ATOM 796 N LYS A 136 -10.834 -1.325 -5.315 1.00 0.00 N ATOM 797 CA LYS A 136 -11.250 -1.865 -4.035 1.00 0.00 C ATOM 798 C LYS A 136 -10.227 -1.508 -2.972 1.00 0.00 C ATOM 799 O LYS A 136 -9.055 -1.280 -3.287 1.00 0.00 O ATOM 800 CB LYS A 136 -11.409 -3.386 -4.118 1.00 0.00 C ATOM 801 CG LYS A 136 -12.472 -3.837 -5.104 1.00 0.00 C ATOM 802 CD LYS A 136 -12.645 -5.346 -5.075 1.00 0.00 C ATOM 803 CE LYS A 136 -13.630 -5.817 -6.133 1.00 0.00 C ATOM 804 NZ LYS A 136 -13.175 -5.476 -7.506 1.00 0.00 N ATOM 0 H LYS A 136 -9.992 -1.755 -5.698 1.00 0.00 H new ATOM 0 HA LYS A 136 -12.214 -1.431 -3.769 1.00 0.00 H new ATOM 0 HB2 LYS A 136 -10.453 -3.827 -4.401 1.00 0.00 H new ATOM 0 HB3 LYS A 136 -11.657 -3.771 -3.129 1.00 0.00 H new ATOM 0 HG2 LYS A 136 -13.420 -3.355 -4.866 1.00 0.00 H new ATOM 0 HG3 LYS A 136 -12.197 -3.519 -6.110 1.00 0.00 H new ATOM 0 HD2 LYS A 136 -11.680 -5.827 -5.236 1.00 0.00 H new ATOM 0 HD3 LYS A 136 -12.994 -5.654 -4.089 1.00 0.00 H new ATOM 0 HE2 LYS A 136 -13.761 -6.896 -6.052 1.00 0.00 H new ATOM 0 HE3 LYS A 136 -14.604 -5.363 -5.950 1.00 0.00 H new ATOM 0 HZ1 LYS A 136 -13.701 -6.047 -8.198 1.00 0.00 H new ATOM 0 HZ2 LYS A 136 -13.347 -4.467 -7.688 1.00 0.00 H new ATOM 0 HZ3 LYS A 136 -12.158 -5.676 -7.594 1.00 0.00 H new ATOM 818 N PRO A 137 -10.654 -1.454 -1.704 1.00 0.00 N ATOM 819 CA PRO A 137 -9.771 -1.133 -0.582 1.00 0.00 C ATOM 820 C PRO A 137 -8.879 -2.309 -0.204 1.00 0.00 C ATOM 821 O PRO A 137 -7.991 -2.183 0.638 1.00 0.00 O ATOM 822 CB PRO A 137 -10.764 -0.801 0.534 1.00 0.00 C ATOM 823 CG PRO A 137 -11.936 -1.665 0.245 1.00 0.00 C ATOM 824 CD PRO A 137 -12.043 -1.704 -1.256 1.00 0.00 C ATOM 0 HA PRO A 137 -9.074 -0.324 -0.802 1.00 0.00 H new ATOM 0 HB2 PRO A 137 -10.344 -1.014 1.517 1.00 0.00 H new ATOM 0 HB3 PRO A 137 -11.035 0.255 0.525 1.00 0.00 H new ATOM 0 HG2 PRO A 137 -11.797 -2.665 0.655 1.00 0.00 H new ATOM 0 HG3 PRO A 137 -12.843 -1.260 0.693 1.00 0.00 H new ATOM 0 HD2 PRO A 137 -12.412 -2.667 -1.608 1.00 0.00 H new ATOM 0 HD3 PRO A 137 -12.729 -0.944 -1.630 1.00 0.00 H new ATOM 832 N LEU A 138 -9.126 -3.441 -0.854 1.00 0.00 N ATOM 833 CA LEU A 138 -8.396 -4.680 -0.602 1.00 0.00 C ATOM 834 C LEU A 138 -8.602 -5.156 0.836 1.00 0.00 C ATOM 835 O LEU A 138 -9.275 -4.501 1.638 1.00 0.00 O ATOM 836 CB LEU A 138 -6.899 -4.507 -0.896 1.00 0.00 C ATOM 837 CG LEU A 138 -6.555 -4.097 -2.329 1.00 0.00 C ATOM 838 CD1 LEU A 138 -5.051 -3.939 -2.483 1.00 0.00 C ATOM 839 CD2 LEU A 138 -7.090 -5.118 -3.323 1.00 0.00 C ATOM 0 H LEU A 138 -9.842 -3.526 -1.575 1.00 0.00 H new ATOM 0 HA LEU A 138 -8.793 -5.439 -1.276 1.00 0.00 H new ATOM 0 HB2 LEU A 138 -6.497 -3.757 -0.215 1.00 0.00 H new ATOM 0 HB3 LEU A 138 -6.391 -5.445 -0.673 1.00 0.00 H new ATOM 0 HG LEU A 138 -7.029 -3.138 -2.538 1.00 0.00 H new ATOM 0 HD11 LEU A 138 -4.819 -3.647 -3.507 1.00 0.00 H new ATOM 0 HD12 LEU A 138 -4.694 -3.171 -1.797 1.00 0.00 H new ATOM 0 HD13 LEU A 138 -4.561 -4.885 -2.255 1.00 0.00 H new ATOM 0 HD21 LEU A 138 -6.835 -4.808 -4.336 1.00 0.00 H new ATOM 0 HD22 LEU A 138 -6.645 -6.092 -3.119 1.00 0.00 H new ATOM 0 HD23 LEU A 138 -8.174 -5.186 -3.227 1.00 0.00 H new ATOM 851 N GLU A 139 -8.046 -6.311 1.149 1.00 0.00 N ATOM 852 CA GLU A 139 -8.117 -6.846 2.493 1.00 0.00 C ATOM 853 C GLU A 139 -6.779 -6.659 3.185 1.00 0.00 C ATOM 854 O GLU A 139 -5.827 -7.396 2.934 1.00 0.00 O ATOM 855 CB GLU A 139 -8.507 -8.330 2.476 1.00 0.00 C ATOM 856 CG GLU A 139 -9.973 -8.589 2.141 1.00 0.00 C ATOM 857 CD GLU A 139 -10.374 -8.109 0.759 1.00 0.00 C ATOM 858 OE1 GLU A 139 -9.773 -8.568 -0.231 1.00 0.00 O ATOM 859 OE2 GLU A 139 -11.301 -7.276 0.656 1.00 0.00 O ATOM 0 H GLU A 139 -7.538 -6.898 0.487 1.00 0.00 H new ATOM 0 HA GLU A 139 -8.887 -6.306 3.043 1.00 0.00 H new ATOM 0 HB2 GLU A 139 -7.883 -8.850 1.749 1.00 0.00 H new ATOM 0 HB3 GLU A 139 -8.287 -8.763 3.452 1.00 0.00 H new ATOM 0 HG2 GLU A 139 -10.171 -9.658 2.217 1.00 0.00 H new ATOM 0 HG3 GLU A 139 -10.600 -8.095 2.884 1.00 0.00 H new ATOM 866 N ASP A 140 -6.709 -5.654 4.044 1.00 0.00 N ATOM 867 CA ASP A 140 -5.480 -5.339 4.764 1.00 0.00 C ATOM 868 C ASP A 140 -5.190 -6.387 5.830 1.00 0.00 C ATOM 869 O ASP A 140 -4.121 -6.388 6.438 1.00 0.00 O ATOM 870 CB ASP A 140 -5.554 -3.938 5.384 1.00 0.00 C ATOM 871 CG ASP A 140 -6.737 -3.757 6.318 1.00 0.00 C ATOM 872 OD1 ASP A 140 -7.892 -3.802 5.838 1.00 0.00 O ATOM 873 OD2 ASP A 140 -6.521 -3.541 7.528 1.00 0.00 O ATOM 0 H ASP A 140 -7.492 -5.038 4.262 1.00 0.00 H new ATOM 0 HA ASP A 140 -4.659 -5.350 4.048 1.00 0.00 H new ATOM 0 HB2 ASP A 140 -4.633 -3.742 5.933 1.00 0.00 H new ATOM 0 HB3 ASP A 140 -5.613 -3.198 4.586 1.00 0.00 H new ATOM 878 N GLN A 141 -6.157 -7.265 6.056 1.00 0.00 N ATOM 879 CA GLN A 141 -5.955 -8.439 6.892 1.00 0.00 C ATOM 880 C GLN A 141 -5.006 -9.421 6.204 1.00 0.00 C ATOM 881 O GLN A 141 -4.264 -10.155 6.856 1.00 0.00 O ATOM 882 CB GLN A 141 -7.301 -9.116 7.162 1.00 0.00 C ATOM 883 CG GLN A 141 -7.188 -10.455 7.876 1.00 0.00 C ATOM 884 CD GLN A 141 -8.527 -11.139 8.077 1.00 0.00 C ATOM 885 OE1 GLN A 141 -8.715 -11.880 9.037 1.00 0.00 O ATOM 886 NE2 GLN A 141 -9.465 -10.906 7.170 1.00 0.00 N ATOM 0 H GLN A 141 -7.097 -7.185 5.668 1.00 0.00 H new ATOM 0 HA GLN A 141 -5.511 -8.129 7.838 1.00 0.00 H new ATOM 0 HB2 GLN A 141 -7.919 -8.447 7.761 1.00 0.00 H new ATOM 0 HB3 GLN A 141 -7.818 -9.264 6.214 1.00 0.00 H new ATOM 0 HG2 GLN A 141 -6.534 -11.112 7.302 1.00 0.00 H new ATOM 0 HG3 GLN A 141 -6.715 -10.303 8.846 1.00 0.00 H new ATOM 0 HE21 GLN A 141 -9.272 -10.284 6.385 1.00 0.00 H new ATOM 0 HE22 GLN A 141 -10.380 -11.349 7.257 1.00 0.00 H new ATOM 895 N LEU A 142 -5.027 -9.410 4.880 1.00 0.00 N ATOM 896 CA LEU A 142 -4.251 -10.353 4.090 1.00 0.00 C ATOM 897 C LEU A 142 -2.936 -9.727 3.633 1.00 0.00 C ATOM 898 O LEU A 142 -2.788 -8.500 3.636 1.00 0.00 O ATOM 899 CB LEU A 142 -5.070 -10.820 2.883 1.00 0.00 C ATOM 900 CG LEU A 142 -6.362 -11.570 3.224 1.00 0.00 C ATOM 901 CD1 LEU A 142 -7.077 -12.000 1.954 1.00 0.00 C ATOM 902 CD2 LEU A 142 -6.065 -12.776 4.106 1.00 0.00 C ATOM 0 H LEU A 142 -5.577 -8.753 4.327 1.00 0.00 H new ATOM 0 HA LEU A 142 -4.014 -11.215 4.713 1.00 0.00 H new ATOM 0 HB2 LEU A 142 -5.323 -9.950 2.277 1.00 0.00 H new ATOM 0 HB3 LEU A 142 -4.445 -11.467 2.268 1.00 0.00 H new ATOM 0 HG LEU A 142 -7.016 -10.896 3.776 1.00 0.00 H new ATOM 0 HD11 LEU A 142 -7.993 -12.531 2.214 1.00 0.00 H new ATOM 0 HD12 LEU A 142 -7.324 -11.120 1.360 1.00 0.00 H new ATOM 0 HD13 LEU A 142 -6.428 -12.657 1.376 1.00 0.00 H new ATOM 0 HD21 LEU A 142 -6.995 -13.295 4.337 1.00 0.00 H new ATOM 0 HD22 LEU A 142 -5.392 -13.454 3.581 1.00 0.00 H new ATOM 0 HD23 LEU A 142 -5.596 -12.443 5.032 1.00 0.00 H new ATOM 914 N PRO A 143 -1.954 -10.562 3.247 1.00 0.00 N ATOM 915 CA PRO A 143 -0.650 -10.089 2.781 1.00 0.00 C ATOM 916 C PRO A 143 -0.732 -9.455 1.395 1.00 0.00 C ATOM 917 O PRO A 143 -1.608 -9.792 0.594 1.00 0.00 O ATOM 918 CB PRO A 143 0.215 -11.361 2.737 1.00 0.00 C ATOM 919 CG PRO A 143 -0.591 -12.425 3.408 1.00 0.00 C ATOM 920 CD PRO A 143 -2.027 -12.026 3.232 1.00 0.00 C ATOM 0 HA PRO A 143 -0.246 -9.314 3.433 1.00 0.00 H new ATOM 0 HB2 PRO A 143 0.450 -11.638 1.710 1.00 0.00 H new ATOM 0 HB3 PRO A 143 1.164 -11.207 3.251 1.00 0.00 H new ATOM 0 HG2 PRO A 143 -0.399 -13.401 2.961 1.00 0.00 H new ATOM 0 HG3 PRO A 143 -0.334 -12.502 4.464 1.00 0.00 H new ATOM 0 HD2 PRO A 143 -2.441 -12.402 2.296 1.00 0.00 H new ATOM 0 HD3 PRO A 143 -2.656 -12.409 4.036 1.00 0.00 H new ATOM 928 N LEU A 144 0.195 -8.550 1.113 1.00 0.00 N ATOM 929 CA LEU A 144 0.217 -7.837 -0.155 1.00 0.00 C ATOM 930 C LEU A 144 0.621 -8.744 -1.304 1.00 0.00 C ATOM 931 O LEU A 144 0.372 -8.418 -2.452 1.00 0.00 O ATOM 932 CB LEU A 144 1.171 -6.645 -0.090 1.00 0.00 C ATOM 933 CG LEU A 144 0.512 -5.301 0.207 1.00 0.00 C ATOM 934 CD1 LEU A 144 1.566 -4.218 0.362 1.00 0.00 C ATOM 935 CD2 LEU A 144 -0.459 -4.931 -0.903 1.00 0.00 C ATOM 0 H LEU A 144 0.947 -8.291 1.752 1.00 0.00 H new ATOM 0 HA LEU A 144 -0.797 -7.481 -0.337 1.00 0.00 H new ATOM 0 HB2 LEU A 144 1.921 -6.841 0.677 1.00 0.00 H new ATOM 0 HB3 LEU A 144 1.699 -6.570 -1.041 1.00 0.00 H new ATOM 0 HG LEU A 144 -0.042 -5.387 1.142 1.00 0.00 H new ATOM 0 HD11 LEU A 144 1.080 -3.265 0.573 1.00 0.00 H new ATOM 0 HD12 LEU A 144 2.234 -4.475 1.184 1.00 0.00 H new ATOM 0 HD13 LEU A 144 2.141 -4.135 -0.560 1.00 0.00 H new ATOM 0 HD21 LEU A 144 -0.921 -3.970 -0.677 1.00 0.00 H new ATOM 0 HD22 LEU A 144 0.079 -4.862 -1.849 1.00 0.00 H new ATOM 0 HD23 LEU A 144 -1.232 -5.696 -0.980 1.00 0.00 H new ATOM 947 N GLY A 145 1.243 -9.876 -0.996 1.00 0.00 N ATOM 948 CA GLY A 145 1.651 -10.802 -2.040 1.00 0.00 C ATOM 949 C GLY A 145 0.508 -11.182 -2.965 1.00 0.00 C ATOM 950 O GLY A 145 0.656 -11.171 -4.183 1.00 0.00 O ATOM 0 H GLY A 145 1.472 -10.170 -0.047 1.00 0.00 H new ATOM 0 HA2 GLY A 145 2.453 -10.353 -2.626 1.00 0.00 H new ATOM 0 HA3 GLY A 145 2.058 -11.704 -1.582 1.00 0.00 H new ATOM 954 N GLU A 146 -0.646 -11.464 -2.379 1.00 0.00 N ATOM 955 CA GLU A 146 -1.798 -11.943 -3.125 1.00 0.00 C ATOM 956 C GLU A 146 -2.317 -10.908 -4.131 1.00 0.00 C ATOM 957 O GLU A 146 -2.753 -11.262 -5.228 1.00 0.00 O ATOM 958 CB GLU A 146 -2.905 -12.317 -2.141 1.00 0.00 C ATOM 959 CG GLU A 146 -2.524 -13.441 -1.191 1.00 0.00 C ATOM 960 CD GLU A 146 -2.169 -14.723 -1.918 1.00 0.00 C ATOM 961 OE1 GLU A 146 -3.093 -15.482 -2.275 1.00 0.00 O ATOM 962 OE2 GLU A 146 -0.968 -14.976 -2.143 1.00 0.00 O ATOM 0 H GLU A 146 -0.809 -11.367 -1.377 1.00 0.00 H new ATOM 0 HA GLU A 146 -1.487 -12.815 -3.701 1.00 0.00 H new ATOM 0 HB2 GLU A 146 -3.174 -11.436 -1.558 1.00 0.00 H new ATOM 0 HB3 GLU A 146 -3.793 -12.612 -2.701 1.00 0.00 H new ATOM 0 HG2 GLU A 146 -1.676 -13.126 -0.583 1.00 0.00 H new ATOM 0 HG3 GLU A 146 -3.352 -13.632 -0.509 1.00 0.00 H new ATOM 969 N TYR A 147 -2.285 -9.636 -3.755 1.00 0.00 N ATOM 970 CA TYR A 147 -2.825 -8.579 -4.606 1.00 0.00 C ATOM 971 C TYR A 147 -1.724 -7.830 -5.355 1.00 0.00 C ATOM 972 O TYR A 147 -1.889 -7.453 -6.515 1.00 0.00 O ATOM 973 CB TYR A 147 -3.641 -7.593 -3.768 1.00 0.00 C ATOM 974 CG TYR A 147 -4.727 -8.256 -2.956 1.00 0.00 C ATOM 975 CD1 TYR A 147 -5.768 -8.932 -3.578 1.00 0.00 C ATOM 976 CD2 TYR A 147 -4.706 -8.216 -1.568 1.00 0.00 C ATOM 977 CE1 TYR A 147 -6.758 -9.549 -2.841 1.00 0.00 C ATOM 978 CE2 TYR A 147 -5.694 -8.829 -0.823 1.00 0.00 C ATOM 979 CZ TYR A 147 -6.716 -9.496 -1.465 1.00 0.00 C ATOM 980 OH TYR A 147 -7.703 -10.111 -0.734 1.00 0.00 O ATOM 0 H TYR A 147 -1.893 -9.310 -2.871 1.00 0.00 H new ATOM 0 HA TYR A 147 -3.469 -9.054 -5.346 1.00 0.00 H new ATOM 0 HB2 TYR A 147 -2.971 -7.056 -3.096 1.00 0.00 H new ATOM 0 HB3 TYR A 147 -4.092 -6.852 -4.428 1.00 0.00 H new ATOM 0 HD1 TYR A 147 -5.804 -8.976 -4.657 1.00 0.00 H new ATOM 0 HD2 TYR A 147 -3.904 -7.697 -1.063 1.00 0.00 H new ATOM 0 HE1 TYR A 147 -7.561 -10.071 -3.340 1.00 0.00 H new ATOM 0 HE2 TYR A 147 -5.666 -8.786 0.256 1.00 0.00 H new ATOM 0 HH TYR A 147 -8.318 -9.435 -0.381 1.00 0.00 H new ATOM 990 N GLY A 148 -0.602 -7.638 -4.679 1.00 0.00 N ATOM 991 CA GLY A 148 0.453 -6.780 -5.180 1.00 0.00 C ATOM 992 C GLY A 148 1.589 -7.539 -5.832 1.00 0.00 C ATOM 993 O GLY A 148 2.610 -6.945 -6.159 1.00 0.00 O ATOM 0 H GLY A 148 -0.401 -8.069 -3.777 1.00 0.00 H new ATOM 0 HA2 GLY A 148 0.031 -6.082 -5.903 1.00 0.00 H new ATOM 0 HA3 GLY A 148 0.849 -6.185 -4.357 1.00 0.00 H new ATOM 997 N LEU A 149 1.428 -8.855 -5.985 1.00 0.00 N ATOM 998 CA LEU A 149 2.402 -9.696 -6.697 1.00 0.00 C ATOM 999 C LEU A 149 2.821 -9.081 -8.037 1.00 0.00 C ATOM 1000 O LEU A 149 3.911 -9.353 -8.542 1.00 0.00 O ATOM 1001 CB LEU A 149 1.827 -11.101 -6.946 1.00 0.00 C ATOM 1002 CG LEU A 149 0.747 -11.218 -8.040 1.00 0.00 C ATOM 1003 CD1 LEU A 149 0.348 -12.673 -8.231 1.00 0.00 C ATOM 1004 CD2 LEU A 149 -0.478 -10.377 -7.705 1.00 0.00 C ATOM 0 H LEU A 149 0.625 -9.369 -5.622 1.00 0.00 H new ATOM 0 HA LEU A 149 3.283 -9.765 -6.059 1.00 0.00 H new ATOM 0 HB2 LEU A 149 2.651 -11.765 -7.207 1.00 0.00 H new ATOM 0 HB3 LEU A 149 1.406 -11.468 -6.010 1.00 0.00 H new ATOM 0 HG LEU A 149 1.170 -10.838 -8.970 1.00 0.00 H new ATOM 0 HD11 LEU A 149 -0.415 -12.742 -9.006 1.00 0.00 H new ATOM 0 HD12 LEU A 149 1.221 -13.254 -8.529 1.00 0.00 H new ATOM 0 HD13 LEU A 149 -0.048 -13.067 -7.295 1.00 0.00 H new ATOM 0 HD21 LEU A 149 -1.219 -10.483 -8.497 1.00 0.00 H new ATOM 0 HD22 LEU A 149 -0.905 -10.716 -6.761 1.00 0.00 H new ATOM 0 HD23 LEU A 149 -0.188 -9.330 -7.617 1.00 0.00 H new ATOM 1016 N LYS A 150 1.940 -8.271 -8.605 1.00 0.00 N ATOM 1017 CA LYS A 150 2.202 -7.602 -9.865 1.00 0.00 C ATOM 1018 C LYS A 150 3.051 -6.352 -9.642 1.00 0.00 C ATOM 1019 O LYS A 150 2.626 -5.431 -8.952 1.00 0.00 O ATOM 1020 CB LYS A 150 0.875 -7.218 -10.534 1.00 0.00 C ATOM 1021 CG LYS A 150 0.016 -8.414 -10.918 1.00 0.00 C ATOM 1022 CD LYS A 150 -1.352 -7.994 -11.446 1.00 0.00 C ATOM 1023 CE LYS A 150 -2.219 -7.386 -10.352 1.00 0.00 C ATOM 1024 NZ LYS A 150 -3.591 -7.077 -10.841 1.00 0.00 N ATOM 0 H LYS A 150 1.026 -8.061 -8.204 1.00 0.00 H new ATOM 0 HA LYS A 150 2.751 -8.284 -10.515 1.00 0.00 H new ATOM 0 HB2 LYS A 150 0.309 -6.577 -9.858 1.00 0.00 H new ATOM 0 HB3 LYS A 150 1.085 -6.631 -11.428 1.00 0.00 H new ATOM 0 HG2 LYS A 150 0.532 -9.001 -11.677 1.00 0.00 H new ATOM 0 HG3 LYS A 150 -0.114 -9.060 -10.050 1.00 0.00 H new ATOM 0 HD2 LYS A 150 -1.224 -7.271 -12.252 1.00 0.00 H new ATOM 0 HD3 LYS A 150 -1.859 -8.860 -11.872 1.00 0.00 H new ATOM 0 HE2 LYS A 150 -2.280 -8.076 -9.511 1.00 0.00 H new ATOM 0 HE3 LYS A 150 -1.751 -6.474 -9.982 1.00 0.00 H new ATOM 0 HZ1 LYS A 150 -4.237 -6.992 -10.031 1.00 0.00 H new ATOM 0 HZ2 LYS A 150 -3.578 -6.181 -11.369 1.00 0.00 H new ATOM 0 HZ3 LYS A 150 -3.917 -7.842 -11.465 1.00 0.00 H new ATOM 1038 N PRO A 151 4.258 -6.297 -10.230 1.00 0.00 N ATOM 1039 CA PRO A 151 5.137 -5.119 -10.139 1.00 0.00 C ATOM 1040 C PRO A 151 4.530 -3.913 -10.856 1.00 0.00 C ATOM 1041 O PRO A 151 5.002 -2.785 -10.735 1.00 0.00 O ATOM 1042 CB PRO A 151 6.429 -5.568 -10.840 1.00 0.00 C ATOM 1043 CG PRO A 151 6.337 -7.054 -10.931 1.00 0.00 C ATOM 1044 CD PRO A 151 4.873 -7.372 -11.019 1.00 0.00 C ATOM 0 HA PRO A 151 5.297 -4.802 -9.108 1.00 0.00 H new ATOM 0 HB2 PRO A 151 6.515 -5.119 -11.829 1.00 0.00 H new ATOM 0 HB3 PRO A 151 7.309 -5.263 -10.274 1.00 0.00 H new ATOM 0 HG2 PRO A 151 6.870 -7.425 -11.806 1.00 0.00 H new ATOM 0 HG3 PRO A 151 6.788 -7.527 -10.059 1.00 0.00 H new ATOM 0 HD2 PRO A 151 4.520 -7.369 -12.050 1.00 0.00 H new ATOM 0 HD3 PRO A 151 4.647 -8.356 -10.607 1.00 0.00 H new ATOM 1052 N LEU A 152 3.468 -4.179 -11.598 1.00 0.00 N ATOM 1053 CA LEU A 152 2.750 -3.151 -12.329 1.00 0.00 C ATOM 1054 C LEU A 152 1.502 -2.734 -11.560 1.00 0.00 C ATOM 1055 O LEU A 152 0.729 -1.890 -12.021 1.00 0.00 O ATOM 1056 CB LEU A 152 2.364 -3.667 -13.718 1.00 0.00 C ATOM 1057 CG LEU A 152 3.533 -4.094 -14.607 1.00 0.00 C ATOM 1058 CD1 LEU A 152 3.019 -4.723 -15.892 1.00 0.00 C ATOM 1059 CD2 LEU A 152 4.428 -2.904 -14.919 1.00 0.00 C ATOM 0 H LEU A 152 3.080 -5.116 -11.710 1.00 0.00 H new ATOM 0 HA LEU A 152 3.399 -2.282 -12.443 1.00 0.00 H new ATOM 0 HB2 LEU A 152 1.692 -4.517 -13.598 1.00 0.00 H new ATOM 0 HB3 LEU A 152 1.803 -2.888 -14.234 1.00 0.00 H new ATOM 0 HG LEU A 152 4.122 -4.837 -14.069 1.00 0.00 H new ATOM 0 HD11 LEU A 152 3.863 -5.022 -16.514 1.00 0.00 H new ATOM 0 HD12 LEU A 152 2.417 -5.599 -15.653 1.00 0.00 H new ATOM 0 HD13 LEU A 152 2.408 -4.000 -16.432 1.00 0.00 H new ATOM 0 HD21 LEU A 152 5.254 -3.226 -15.552 1.00 0.00 H new ATOM 0 HD22 LEU A 152 3.850 -2.140 -15.438 1.00 0.00 H new ATOM 0 HD23 LEU A 152 4.822 -2.492 -13.990 1.00 0.00 H new ATOM 1071 N SER A 153 1.312 -3.329 -10.386 1.00 0.00 N ATOM 1072 CA SER A 153 0.170 -3.015 -9.546 1.00 0.00 C ATOM 1073 C SER A 153 0.274 -1.579 -9.047 1.00 0.00 C ATOM 1074 O SER A 153 1.051 -1.270 -8.139 1.00 0.00 O ATOM 1075 CB SER A 153 0.070 -4.007 -8.375 1.00 0.00 C ATOM 1076 OG SER A 153 -0.901 -3.600 -7.425 1.00 0.00 O ATOM 0 H SER A 153 1.939 -4.033 -9.997 1.00 0.00 H new ATOM 0 HA SER A 153 -0.742 -3.109 -10.135 1.00 0.00 H new ATOM 0 HB2 SER A 153 -0.186 -4.996 -8.756 1.00 0.00 H new ATOM 0 HB3 SER A 153 1.041 -4.095 -7.888 1.00 0.00 H new ATOM 0 HG SER A 153 -1.798 -3.720 -7.802 1.00 0.00 H new ATOM 1082 N THR A 154 -0.490 -0.698 -9.676 1.00 0.00 N ATOM 1083 CA THR A 154 -0.456 0.711 -9.349 1.00 0.00 C ATOM 1084 C THR A 154 -1.484 1.044 -8.274 1.00 0.00 C ATOM 1085 O THR A 154 -2.647 1.309 -8.570 1.00 0.00 O ATOM 1086 CB THR A 154 -0.709 1.569 -10.601 1.00 0.00 C ATOM 1087 OG1 THR A 154 0.138 1.116 -11.669 1.00 0.00 O ATOM 1088 CG2 THR A 154 -0.430 3.040 -10.321 1.00 0.00 C ATOM 0 H THR A 154 -1.144 -0.941 -10.420 1.00 0.00 H new ATOM 0 HA THR A 154 0.538 0.939 -8.964 1.00 0.00 H new ATOM 0 HB THR A 154 -1.756 1.465 -10.885 1.00 0.00 H new ATOM 0 HG1 THR A 154 -0.023 1.660 -12.468 1.00 0.00 H new ATOM 0 HG21 THR A 154 -0.617 3.624 -11.222 1.00 0.00 H new ATOM 0 HG22 THR A 154 -1.083 3.388 -9.521 1.00 0.00 H new ATOM 0 HG23 THR A 154 0.610 3.162 -10.019 1.00 0.00 H new ATOM 1096 N VAL A 155 -1.048 0.998 -7.028 1.00 0.00 N ATOM 1097 CA VAL A 155 -1.907 1.329 -5.907 1.00 0.00 C ATOM 1098 C VAL A 155 -2.034 2.841 -5.798 1.00 0.00 C ATOM 1099 O VAL A 155 -1.035 3.556 -5.743 1.00 0.00 O ATOM 1100 CB VAL A 155 -1.356 0.754 -4.583 1.00 0.00 C ATOM 1101 CG1 VAL A 155 -2.314 1.030 -3.434 1.00 0.00 C ATOM 1102 CG2 VAL A 155 -1.088 -0.740 -4.713 1.00 0.00 C ATOM 0 H VAL A 155 -0.098 0.733 -6.767 1.00 0.00 H new ATOM 0 HA VAL A 155 -2.886 0.884 -6.083 1.00 0.00 H new ATOM 0 HB VAL A 155 -0.411 1.252 -4.365 1.00 0.00 H new ATOM 0 HG11 VAL A 155 -1.905 0.616 -2.512 1.00 0.00 H new ATOM 0 HG12 VAL A 155 -2.447 2.106 -3.321 1.00 0.00 H new ATOM 0 HG13 VAL A 155 -3.278 0.566 -3.644 1.00 0.00 H new ATOM 0 HG21 VAL A 155 -0.701 -1.124 -3.769 1.00 0.00 H new ATOM 0 HG22 VAL A 155 -2.016 -1.256 -4.961 1.00 0.00 H new ATOM 0 HG23 VAL A 155 -0.356 -0.911 -5.502 1.00 0.00 H new ATOM 1112 N PHE A 156 -3.255 3.334 -5.795 1.00 0.00 N ATOM 1113 CA PHE A 156 -3.478 4.763 -5.740 1.00 0.00 C ATOM 1114 C PHE A 156 -3.650 5.222 -4.303 1.00 0.00 C ATOM 1115 O PHE A 156 -4.582 4.803 -3.609 1.00 0.00 O ATOM 1116 CB PHE A 156 -4.692 5.150 -6.581 1.00 0.00 C ATOM 1117 CG PHE A 156 -4.491 4.908 -8.049 1.00 0.00 C ATOM 1118 CD1 PHE A 156 -3.742 5.789 -8.808 1.00 0.00 C ATOM 1119 CD2 PHE A 156 -5.048 3.800 -8.665 1.00 0.00 C ATOM 1120 CE1 PHE A 156 -3.553 5.572 -10.159 1.00 0.00 C ATOM 1121 CE2 PHE A 156 -4.864 3.577 -10.016 1.00 0.00 C ATOM 1122 CZ PHE A 156 -4.115 4.466 -10.764 1.00 0.00 C ATOM 0 H PHE A 156 -4.104 2.770 -5.830 1.00 0.00 H new ATOM 0 HA PHE A 156 -2.603 5.264 -6.155 1.00 0.00 H new ATOM 0 HB2 PHE A 156 -5.558 4.583 -6.240 1.00 0.00 H new ATOM 0 HB3 PHE A 156 -4.917 6.204 -6.420 1.00 0.00 H new ATOM 0 HD1 PHE A 156 -3.300 6.656 -8.339 1.00 0.00 H new ATOM 0 HD2 PHE A 156 -5.632 3.103 -8.083 1.00 0.00 H new ATOM 0 HE1 PHE A 156 -2.966 6.267 -10.741 1.00 0.00 H new ATOM 0 HE2 PHE A 156 -5.304 2.710 -10.487 1.00 0.00 H new ATOM 0 HZ PHE A 156 -3.970 4.295 -11.820 1.00 0.00 H new ATOM 1132 N MET A 157 -2.727 6.058 -3.856 1.00 0.00 N ATOM 1133 CA MET A 157 -2.814 6.658 -2.540 1.00 0.00 C ATOM 1134 C MET A 157 -3.912 7.705 -2.573 1.00 0.00 C ATOM 1135 O MET A 157 -3.753 8.774 -3.161 1.00 0.00 O ATOM 1136 CB MET A 157 -1.465 7.270 -2.140 1.00 0.00 C ATOM 1137 CG MET A 157 -1.375 7.706 -0.683 1.00 0.00 C ATOM 1138 SD MET A 157 -2.255 9.242 -0.342 1.00 0.00 S ATOM 1139 CE MET A 157 -1.772 9.525 1.356 1.00 0.00 C ATOM 0 H MET A 157 -1.905 6.336 -4.391 1.00 0.00 H new ATOM 0 HA MET A 157 -3.055 5.903 -1.791 1.00 0.00 H new ATOM 0 HB2 MET A 157 -0.678 6.542 -2.337 1.00 0.00 H new ATOM 0 HB3 MET A 157 -1.269 8.133 -2.777 1.00 0.00 H new ATOM 0 HG2 MET A 157 -1.778 6.916 -0.049 1.00 0.00 H new ATOM 0 HG3 MET A 157 -0.326 7.828 -0.412 1.00 0.00 H new ATOM 0 HE1 MET A 157 -2.368 10.336 1.774 1.00 0.00 H new ATOM 0 HE2 MET A 157 -1.936 8.618 1.937 1.00 0.00 H new ATOM 0 HE3 MET A 157 -0.716 9.794 1.394 1.00 0.00 H new ATOM 1149 N ASN A 158 -5.040 7.371 -1.979 1.00 0.00 N ATOM 1150 CA ASN A 158 -6.216 8.211 -2.058 1.00 0.00 C ATOM 1151 C ASN A 158 -6.426 8.987 -0.772 1.00 0.00 C ATOM 1152 O ASN A 158 -5.979 8.581 0.302 1.00 0.00 O ATOM 1153 CB ASN A 158 -7.458 7.367 -2.363 1.00 0.00 C ATOM 1154 CG ASN A 158 -7.709 7.192 -3.849 1.00 0.00 C ATOM 1155 OD1 ASN A 158 -8.399 8.002 -4.470 1.00 0.00 O ATOM 1156 ND2 ASN A 158 -7.163 6.134 -4.428 1.00 0.00 N ATOM 0 H ASN A 158 -5.166 6.518 -1.433 1.00 0.00 H new ATOM 0 HA ASN A 158 -6.059 8.924 -2.867 1.00 0.00 H new ATOM 0 HB2 ASN A 158 -7.345 6.386 -1.902 1.00 0.00 H new ATOM 0 HB3 ASN A 158 -8.330 7.836 -1.906 1.00 0.00 H new ATOM 0 HD21 ASN A 158 -7.307 5.966 -5.424 1.00 0.00 H new ATOM 0 HD22 ASN A 158 -6.598 5.487 -3.878 1.00 0.00 H new ATOM 1163 N LEU A 159 -7.094 10.119 -0.896 1.00 0.00 N ATOM 1164 CA LEU A 159 -7.486 10.906 0.254 1.00 0.00 C ATOM 1165 C LEU A 159 -9.000 10.963 0.324 1.00 0.00 C ATOM 1166 O LEU A 159 -9.664 11.167 -0.695 1.00 0.00 O ATOM 1167 CB LEU A 159 -6.917 12.329 0.163 1.00 0.00 C ATOM 1168 CG LEU A 159 -5.391 12.431 0.165 1.00 0.00 C ATOM 1169 CD1 LEU A 159 -4.956 13.874 -0.031 1.00 0.00 C ATOM 1170 CD2 LEU A 159 -4.825 11.878 1.462 1.00 0.00 C ATOM 0 H LEU A 159 -7.378 10.515 -1.792 1.00 0.00 H new ATOM 0 HA LEU A 159 -7.088 10.437 1.154 1.00 0.00 H new ATOM 0 HB2 LEU A 159 -7.293 12.794 -0.748 1.00 0.00 H new ATOM 0 HB3 LEU A 159 -7.303 12.910 1.000 1.00 0.00 H new ATOM 0 HG LEU A 159 -5.003 11.837 -0.663 1.00 0.00 H new ATOM 0 HD11 LEU A 159 -3.867 13.930 -0.027 1.00 0.00 H new ATOM 0 HD12 LEU A 159 -5.335 14.242 -0.985 1.00 0.00 H new ATOM 0 HD13 LEU A 159 -5.353 14.487 0.778 1.00 0.00 H new ATOM 0 HD21 LEU A 159 -3.738 11.958 1.448 1.00 0.00 H new ATOM 0 HD22 LEU A 159 -5.220 12.448 2.303 1.00 0.00 H new ATOM 0 HD23 LEU A 159 -5.111 10.831 1.567 1.00 0.00 H new ATOM 1182 N ARG A 160 -9.547 10.756 1.508 1.00 0.00 N ATOM 1183 CA ARG A 160 -10.976 10.880 1.698 1.00 0.00 C ATOM 1184 C ARG A 160 -11.331 12.351 1.822 1.00 0.00 C ATOM 1185 O ARG A 160 -11.001 13.005 2.812 1.00 0.00 O ATOM 1186 CB ARG A 160 -11.444 10.103 2.926 1.00 0.00 C ATOM 1187 CG ARG A 160 -12.943 10.201 3.155 1.00 0.00 C ATOM 1188 CD ARG A 160 -13.386 9.338 4.317 1.00 0.00 C ATOM 1189 NE ARG A 160 -13.237 7.911 4.032 1.00 0.00 N ATOM 1190 CZ ARG A 160 -13.052 6.978 4.964 1.00 0.00 C ATOM 1191 NH1 ARG A 160 -12.922 7.321 6.242 1.00 0.00 N ATOM 1192 NH2 ARG A 160 -12.980 5.700 4.612 1.00 0.00 N ATOM 0 H ARG A 160 -9.025 10.503 2.347 1.00 0.00 H new ATOM 0 HA ARG A 160 -11.487 10.452 0.835 1.00 0.00 H new ATOM 0 HB2 ARG A 160 -11.167 9.055 2.813 1.00 0.00 H new ATOM 0 HB3 ARG A 160 -10.922 10.478 3.807 1.00 0.00 H new ATOM 0 HG2 ARG A 160 -13.215 11.239 3.347 1.00 0.00 H new ATOM 0 HG3 ARG A 160 -13.471 9.895 2.252 1.00 0.00 H new ATOM 0 HD2 ARG A 160 -12.802 9.593 5.201 1.00 0.00 H new ATOM 0 HD3 ARG A 160 -14.429 9.553 4.551 1.00 0.00 H new ATOM 0 HE ARG A 160 -13.277 7.612 3.058 1.00 0.00 H new ATOM 0 HH11 ARG A 160 -12.964 8.303 6.513 1.00 0.00 H new ATOM 0 HH12 ARG A 160 -12.781 6.602 6.951 1.00 0.00 H new ATOM 0 HH21 ARG A 160 -13.066 5.436 3.631 1.00 0.00 H new ATOM 0 HH22 ARG A 160 -12.838 4.982 5.323 1.00 0.00 H new TER 1206 ARG A 160