USER MOD reduce.3.24.130724 H: found=0, std=0, add=477, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 480 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 197 ASN : amide:sc=-0.00546 X(o=-0.013,f=-0.0079) USER MOD Set 1.2: A 198 ASN : amide:sc=-0.00792 K(o=-0.013,f=-1) USER MOD Single : A 153 HIS : no HD1:sc= -0.243 X(o=-0.24,f=0) USER MOD Single : A 154 MET CE :methyl 162:sc= -1.58 (180deg=-2.54!) USER MOD Single : A 156 THR OG1 : rot 180:sc= 0 USER MOD Single : A 157 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 160 GLN : amide:sc= -0.994 X(o=-0.99,f=-1.3) USER MOD Single : A 166 ASN : amide:sc= -0.0694 X(o=-0.069,f=-0.55) USER MOD Single : A 168 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 170 SER OG : rot 180:sc= 0.0576 USER MOD Single : A 176 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 182 THR OG1 : rot 76:sc= 0.623 USER MOD Single : A 185 ASN : amide:sc= -2.96! X(o=-3!,f=-2.6) USER MOD Single : A 186 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 190 ASN : amide:sc= -0.0277 X(o=-0.028,f=0) USER MOD Single : A 195 GLN : amide:sc= -2.19 K(o=-2.2,f=-3.5!) USER MOD Single : A 205 SER OG : rot -137:sc= 0.497 USER MOD Single : A 206 ASN : amide:sc= -0.426 K(o=-0.43,f=-3.1!) USER MOD Single : A 207 TYR OH : rot 180:sc= 0 USER MOD Single : A 211 TYR OH : rot 180:sc= 0 USER MOD Single : A 212 ASN : amide:sc= -1.7 K(o=-1.7,f=-13!) USER MOD Single : A 213 SER OG : rot -63:sc= 1.12 USER MOD Single : A 214 ASN : amide:sc= 0 K(o=0,f=0.92) USER MOD ----------------------------------------------------------------- ATOM 1 N HIS A 153 -19.053 11.280 -0.253 1.00 0.00 N ATOM 2 CA HIS A 153 -19.091 10.323 0.886 1.00 0.00 C ATOM 3 C HIS A 153 -17.817 9.485 0.946 1.00 0.00 C ATOM 4 O HIS A 153 -17.028 9.605 1.883 1.00 0.00 O ATOM 5 CB HIS A 153 -20.311 9.418 0.720 1.00 0.00 C ATOM 6 CG HIS A 153 -21.598 10.167 0.570 1.00 0.00 C ATOM 7 ND1 HIS A 153 -22.552 10.234 1.562 1.00 0.00 N ATOM 8 CD2 HIS A 153 -22.087 10.888 -0.469 1.00 0.00 C ATOM 9 CE1 HIS A 153 -23.572 10.962 1.142 1.00 0.00 C ATOM 10 NE2 HIS A 153 -23.314 11.371 -0.087 1.00 0.00 N ATOM 0 HA HIS A 153 -19.160 10.881 1.820 1.00 0.00 H new ATOM 0 HB2 HIS A 153 -20.166 8.784 -0.154 1.00 0.00 H new ATOM 0 HB3 HIS A 153 -20.383 8.758 1.584 1.00 0.00 H new ATOM 0 HD2 HIS A 153 -21.602 11.052 -1.420 1.00 0.00 H new ATOM 0 HE1 HIS A 153 -24.465 11.185 1.708 1.00 0.00 H new ATOM 0 HE2 HIS A 153 -23.927 11.952 -0.659 1.00 0.00 H new ATOM 21 N MET A 154 -17.624 8.638 -0.059 1.00 0.00 N ATOM 22 CA MET A 154 -16.447 7.782 -0.123 1.00 0.00 C ATOM 23 C MET A 154 -15.339 8.438 -0.938 1.00 0.00 C ATOM 24 O MET A 154 -15.508 9.539 -1.461 1.00 0.00 O ATOM 25 CB MET A 154 -16.810 6.425 -0.730 1.00 0.00 C ATOM 26 CG MET A 154 -17.278 5.405 0.294 1.00 0.00 C ATOM 27 SD MET A 154 -15.926 4.399 0.939 1.00 0.00 S ATOM 28 CE MET A 154 -15.042 5.608 1.918 1.00 0.00 C ATOM 0 H MET A 154 -18.269 8.526 -0.841 1.00 0.00 H new ATOM 0 HA MET A 154 -16.083 7.632 0.893 1.00 0.00 H new ATOM 0 HB2 MET A 154 -17.595 6.567 -1.473 1.00 0.00 H new ATOM 0 HB3 MET A 154 -15.942 6.028 -1.255 1.00 0.00 H new ATOM 0 HG2 MET A 154 -17.767 5.922 1.119 1.00 0.00 H new ATOM 0 HG3 MET A 154 -18.025 4.755 -0.162 1.00 0.00 H new ATOM 0 HE1 MET A 154 -14.386 5.096 2.623 1.00 0.00 H new ATOM 0 HE2 MET A 154 -14.446 6.242 1.262 1.00 0.00 H new ATOM 0 HE3 MET A 154 -15.755 6.223 2.467 1.00 0.00 H new ATOM 38 N GLU A 155 -14.203 7.754 -1.042 1.00 0.00 N ATOM 39 CA GLU A 155 -13.067 8.271 -1.796 1.00 0.00 C ATOM 40 C GLU A 155 -12.191 7.132 -2.309 1.00 0.00 C ATOM 41 O GLU A 155 -11.919 6.172 -1.589 1.00 0.00 O ATOM 42 CB GLU A 155 -12.237 9.215 -0.923 1.00 0.00 C ATOM 43 CG GLU A 155 -11.733 8.573 0.360 1.00 0.00 C ATOM 44 CD GLU A 155 -11.833 9.502 1.555 1.00 0.00 C ATOM 45 OE1 GLU A 155 -11.811 10.734 1.352 1.00 0.00 O ATOM 46 OE2 GLU A 155 -11.933 8.997 2.692 1.00 0.00 O ATOM 0 H GLU A 155 -14.046 6.842 -0.614 1.00 0.00 H new ATOM 0 HA GLU A 155 -13.452 8.823 -2.653 1.00 0.00 H new ATOM 0 HB2 GLU A 155 -11.384 9.573 -1.499 1.00 0.00 H new ATOM 0 HB3 GLU A 155 -12.840 10.087 -0.670 1.00 0.00 H new ATOM 0 HG2 GLU A 155 -12.307 7.668 0.559 1.00 0.00 H new ATOM 0 HG3 GLU A 155 -10.695 8.269 0.226 1.00 0.00 H new ATOM 53 N THR A 156 -11.750 7.249 -3.557 1.00 0.00 N ATOM 54 CA THR A 156 -10.907 6.232 -4.168 1.00 0.00 C ATOM 55 C THR A 156 -9.430 6.536 -3.941 1.00 0.00 C ATOM 56 O THR A 156 -8.987 7.672 -4.117 1.00 0.00 O ATOM 57 CB THR A 156 -11.194 6.139 -5.661 1.00 0.00 C ATOM 58 OG1 THR A 156 -12.530 6.521 -5.940 1.00 0.00 O ATOM 59 CG2 THR A 156 -10.980 4.754 -6.230 1.00 0.00 C ATOM 0 H THR A 156 -11.964 8.040 -4.165 1.00 0.00 H new ATOM 0 HA THR A 156 -11.137 5.276 -3.698 1.00 0.00 H new ATOM 0 HB THR A 156 -10.483 6.817 -6.133 1.00 0.00 H new ATOM 0 HG1 THR A 156 -12.694 6.456 -6.904 1.00 0.00 H new ATOM 0 HG21 THR A 156 -11.203 4.761 -7.297 1.00 0.00 H new ATOM 0 HG22 THR A 156 -9.943 4.454 -6.077 1.00 0.00 H new ATOM 0 HG23 THR A 156 -11.640 4.048 -5.726 1.00 0.00 H new ATOM 67 N LYS A 157 -8.673 5.517 -3.549 1.00 0.00 N ATOM 68 CA LYS A 157 -7.245 5.677 -3.297 1.00 0.00 C ATOM 69 C LYS A 157 -6.484 4.403 -3.647 1.00 0.00 C ATOM 70 O LYS A 157 -6.634 3.376 -2.984 1.00 0.00 O ATOM 71 CB LYS A 157 -7.001 6.045 -1.832 1.00 0.00 C ATOM 72 CG LYS A 157 -7.829 5.231 -0.853 1.00 0.00 C ATOM 73 CD LYS A 157 -7.765 5.813 0.550 1.00 0.00 C ATOM 74 CE LYS A 157 -8.532 7.123 0.644 1.00 0.00 C ATOM 75 NZ LYS A 157 -7.827 8.119 1.498 1.00 0.00 N ATOM 0 H LYS A 157 -9.024 4.571 -3.399 1.00 0.00 H new ATOM 0 HA LYS A 157 -6.879 6.483 -3.932 1.00 0.00 H new ATOM 0 HB2 LYS A 157 -5.944 5.907 -1.603 1.00 0.00 H new ATOM 0 HB3 LYS A 157 -7.223 7.103 -1.690 1.00 0.00 H new ATOM 0 HG2 LYS A 157 -8.866 5.201 -1.189 1.00 0.00 H new ATOM 0 HG3 LYS A 157 -7.469 4.202 -0.838 1.00 0.00 H new ATOM 0 HD2 LYS A 157 -8.177 5.097 1.261 1.00 0.00 H new ATOM 0 HD3 LYS A 157 -6.725 5.978 0.830 1.00 0.00 H new ATOM 0 HE2 LYS A 157 -8.671 7.535 -0.356 1.00 0.00 H new ATOM 0 HE3 LYS A 157 -9.525 6.934 1.051 1.00 0.00 H new ATOM 0 HZ1 LYS A 157 -8.382 8.998 1.537 1.00 0.00 H new ATOM 0 HZ2 LYS A 157 -7.717 7.736 2.459 1.00 0.00 H new ATOM 0 HZ3 LYS A 157 -6.889 8.319 1.096 1.00 0.00 H new ATOM 89 N PHE A 158 -5.668 4.475 -4.695 1.00 0.00 N ATOM 90 CA PHE A 158 -4.884 3.327 -5.133 1.00 0.00 C ATOM 91 C PHE A 158 -3.424 3.716 -5.343 1.00 0.00 C ATOM 92 O PHE A 158 -3.116 4.870 -5.644 1.00 0.00 O ATOM 93 CB PHE A 158 -5.463 2.750 -6.425 1.00 0.00 C ATOM 94 CG PHE A 158 -6.772 2.040 -6.231 1.00 0.00 C ATOM 95 CD1 PHE A 158 -7.902 2.738 -5.834 1.00 0.00 C ATOM 96 CD2 PHE A 158 -6.875 0.675 -6.446 1.00 0.00 C ATOM 97 CE1 PHE A 158 -9.108 2.088 -5.655 1.00 0.00 C ATOM 98 CE2 PHE A 158 -8.078 0.020 -6.268 1.00 0.00 C ATOM 99 CZ PHE A 158 -9.196 0.727 -5.871 1.00 0.00 C ATOM 0 H PHE A 158 -5.533 5.316 -5.256 1.00 0.00 H new ATOM 0 HA PHE A 158 -4.930 2.567 -4.353 1.00 0.00 H new ATOM 0 HB2 PHE A 158 -5.600 3.557 -7.145 1.00 0.00 H new ATOM 0 HB3 PHE A 158 -4.743 2.056 -6.858 1.00 0.00 H new ATOM 0 HD1 PHE A 158 -7.839 3.802 -5.663 1.00 0.00 H new ATOM 0 HD2 PHE A 158 -6.004 0.117 -6.756 1.00 0.00 H new ATOM 0 HE1 PHE A 158 -9.981 2.644 -5.346 1.00 0.00 H new ATOM 0 HE2 PHE A 158 -8.144 -1.044 -6.439 1.00 0.00 H new ATOM 0 HZ PHE A 158 -10.137 0.216 -5.730 1.00 0.00 H new ATOM 109 N VAL A 159 -2.529 2.746 -5.184 1.00 0.00 N ATOM 110 CA VAL A 159 -1.102 2.988 -5.357 1.00 0.00 C ATOM 111 C VAL A 159 -0.415 1.790 -6.002 1.00 0.00 C ATOM 112 O VAL A 159 -0.910 0.664 -5.930 1.00 0.00 O ATOM 113 CB VAL A 159 -0.417 3.293 -4.012 1.00 0.00 C ATOM 114 CG1 VAL A 159 -0.820 4.668 -3.506 1.00 0.00 C ATOM 115 CG2 VAL A 159 -0.752 2.221 -2.987 1.00 0.00 C ATOM 0 H VAL A 159 -2.767 1.786 -4.936 1.00 0.00 H new ATOM 0 HA VAL A 159 -1.006 3.855 -6.011 1.00 0.00 H new ATOM 0 HB VAL A 159 0.662 3.291 -4.167 1.00 0.00 H new ATOM 0 HG11 VAL A 159 -0.326 4.865 -2.555 1.00 0.00 H new ATOM 0 HG12 VAL A 159 -0.523 5.424 -4.233 1.00 0.00 H new ATOM 0 HG13 VAL A 159 -1.901 4.702 -3.367 1.00 0.00 H new ATOM 0 HG21 VAL A 159 -0.259 2.453 -2.043 1.00 0.00 H new ATOM 0 HG22 VAL A 159 -1.831 2.188 -2.835 1.00 0.00 H new ATOM 0 HG23 VAL A 159 -0.407 1.252 -3.348 1.00 0.00 H new ATOM 125 N GLN A 160 0.728 2.039 -6.631 1.00 0.00 N ATOM 126 CA GLN A 160 1.486 0.981 -7.288 1.00 0.00 C ATOM 127 C GLN A 160 2.874 0.843 -6.669 1.00 0.00 C ATOM 128 O GLN A 160 3.678 1.774 -6.707 1.00 0.00 O ATOM 129 CB GLN A 160 1.608 1.265 -8.786 1.00 0.00 C ATOM 130 CG GLN A 160 1.553 0.017 -9.649 1.00 0.00 C ATOM 131 CD GLN A 160 2.525 0.066 -10.811 1.00 0.00 C ATOM 132 OE1 GLN A 160 3.680 0.461 -10.652 1.00 0.00 O ATOM 133 NE2 GLN A 160 2.062 -0.336 -11.989 1.00 0.00 N ATOM 0 H GLN A 160 1.150 2.965 -6.700 1.00 0.00 H new ATOM 0 HA GLN A 160 0.949 0.043 -7.147 1.00 0.00 H new ATOM 0 HB2 GLN A 160 0.806 1.939 -9.086 1.00 0.00 H new ATOM 0 HB3 GLN A 160 2.548 1.785 -8.973 1.00 0.00 H new ATOM 0 HG2 GLN A 160 1.773 -0.855 -9.033 1.00 0.00 H new ATOM 0 HG3 GLN A 160 0.541 -0.110 -10.033 1.00 0.00 H new ATOM 0 HE21 GLN A 160 1.097 -0.656 -12.076 1.00 0.00 H new ATOM 0 HE22 GLN A 160 2.671 -0.325 -12.807 1.00 0.00 H new ATOM 142 N ALA A 161 3.144 -0.323 -6.095 1.00 0.00 N ATOM 143 CA ALA A 161 4.429 -0.588 -5.462 1.00 0.00 C ATOM 144 C ALA A 161 5.555 -0.648 -6.486 1.00 0.00 C ATOM 145 O ALA A 161 5.356 -1.076 -7.622 1.00 0.00 O ATOM 146 CB ALA A 161 4.363 -1.890 -4.677 1.00 0.00 C ATOM 0 H ALA A 161 2.487 -1.102 -6.055 1.00 0.00 H new ATOM 0 HA ALA A 161 4.644 0.235 -4.780 1.00 0.00 H new ATOM 0 HB1 ALA A 161 5.328 -2.081 -4.207 1.00 0.00 H new ATOM 0 HB2 ALA A 161 3.594 -1.813 -3.909 1.00 0.00 H new ATOM 0 HB3 ALA A 161 4.120 -2.710 -5.353 1.00 0.00 H new ATOM 152 N LEU A 162 6.744 -0.223 -6.071 1.00 0.00 N ATOM 153 CA LEU A 162 7.912 -0.241 -6.947 1.00 0.00 C ATOM 154 C LEU A 162 8.806 -1.438 -6.637 1.00 0.00 C ATOM 155 O LEU A 162 9.618 -1.851 -7.463 1.00 0.00 O ATOM 156 CB LEU A 162 8.710 1.056 -6.813 1.00 0.00 C ATOM 157 CG LEU A 162 8.938 1.524 -5.378 1.00 0.00 C ATOM 158 CD1 LEU A 162 10.422 1.733 -5.109 1.00 0.00 C ATOM 159 CD2 LEU A 162 8.160 2.801 -5.106 1.00 0.00 C ATOM 0 H LEU A 162 6.925 0.138 -5.134 1.00 0.00 H new ATOM 0 HA LEU A 162 7.557 -0.329 -7.974 1.00 0.00 H new ATOM 0 HB2 LEU A 162 9.679 0.921 -7.294 1.00 0.00 H new ATOM 0 HB3 LEU A 162 8.190 1.844 -7.359 1.00 0.00 H new ATOM 0 HG LEU A 162 8.576 0.749 -4.703 1.00 0.00 H new ATOM 0 HD11 LEU A 162 10.562 2.066 -4.081 1.00 0.00 H new ATOM 0 HD12 LEU A 162 10.955 0.795 -5.262 1.00 0.00 H new ATOM 0 HD13 LEU A 162 10.813 2.488 -5.791 1.00 0.00 H new ATOM 0 HD21 LEU A 162 8.334 3.121 -4.079 1.00 0.00 H new ATOM 0 HD22 LEU A 162 8.492 3.582 -5.790 1.00 0.00 H new ATOM 0 HD23 LEU A 162 7.096 2.617 -5.254 1.00 0.00 H new ATOM 171 N PHE A 163 8.648 -1.996 -5.437 1.00 0.00 N ATOM 172 CA PHE A 163 9.435 -3.147 -5.015 1.00 0.00 C ATOM 173 C PHE A 163 8.540 -4.205 -4.374 1.00 0.00 C ATOM 174 O PHE A 163 7.318 -4.062 -4.346 1.00 0.00 O ATOM 175 CB PHE A 163 10.523 -2.717 -4.029 1.00 0.00 C ATOM 176 CG PHE A 163 11.810 -3.473 -4.189 1.00 0.00 C ATOM 177 CD1 PHE A 163 12.525 -3.407 -5.375 1.00 0.00 C ATOM 178 CD2 PHE A 163 12.306 -4.251 -3.154 1.00 0.00 C ATOM 179 CE1 PHE A 163 13.711 -4.101 -5.525 1.00 0.00 C ATOM 180 CE2 PHE A 163 13.491 -4.947 -3.298 1.00 0.00 C ATOM 181 CZ PHE A 163 14.194 -4.871 -4.486 1.00 0.00 C ATOM 0 H PHE A 163 7.980 -1.666 -4.741 1.00 0.00 H new ATOM 0 HA PHE A 163 9.908 -3.578 -5.897 1.00 0.00 H new ATOM 0 HB2 PHE A 163 10.718 -1.652 -4.157 1.00 0.00 H new ATOM 0 HB3 PHE A 163 10.155 -2.853 -3.012 1.00 0.00 H new ATOM 0 HD1 PHE A 163 12.151 -2.806 -6.191 1.00 0.00 H new ATOM 0 HD2 PHE A 163 11.760 -4.314 -2.224 1.00 0.00 H new ATOM 0 HE1 PHE A 163 14.259 -4.041 -6.454 1.00 0.00 H new ATOM 0 HE2 PHE A 163 13.867 -5.549 -2.484 1.00 0.00 H new ATOM 0 HZ PHE A 163 15.121 -5.414 -4.601 1.00 0.00 H new ATOM 191 N ASP A 164 9.156 -5.265 -3.859 1.00 0.00 N ATOM 192 CA ASP A 164 8.409 -6.342 -3.218 1.00 0.00 C ATOM 193 C ASP A 164 8.549 -6.279 -1.700 1.00 0.00 C ATOM 194 O ASP A 164 9.577 -5.842 -1.181 1.00 0.00 O ATOM 195 CB ASP A 164 8.895 -7.701 -3.729 1.00 0.00 C ATOM 196 CG ASP A 164 8.958 -7.761 -5.242 1.00 0.00 C ATOM 197 OD1 ASP A 164 8.263 -6.955 -5.897 1.00 0.00 O ATOM 198 OD2 ASP A 164 9.700 -8.613 -5.774 1.00 0.00 O ATOM 0 H ASP A 164 10.167 -5.401 -3.873 1.00 0.00 H new ATOM 0 HA ASP A 164 7.356 -6.218 -3.472 1.00 0.00 H new ATOM 0 HB2 ASP A 164 9.883 -7.908 -3.319 1.00 0.00 H new ATOM 0 HB3 ASP A 164 8.228 -8.483 -3.365 1.00 0.00 H new ATOM 203 N PHE A 165 7.510 -6.713 -0.993 1.00 0.00 N ATOM 204 CA PHE A 165 7.521 -6.702 0.464 1.00 0.00 C ATOM 205 C PHE A 165 7.031 -8.033 1.023 1.00 0.00 C ATOM 206 O PHE A 165 5.851 -8.368 0.911 1.00 0.00 O ATOM 207 CB PHE A 165 6.650 -5.561 0.994 1.00 0.00 C ATOM 208 CG PHE A 165 7.075 -5.060 2.344 1.00 0.00 C ATOM 209 CD1 PHE A 165 8.140 -4.183 2.468 1.00 0.00 C ATOM 210 CD2 PHE A 165 6.407 -5.465 3.490 1.00 0.00 C ATOM 211 CE1 PHE A 165 8.532 -3.718 3.709 1.00 0.00 C ATOM 212 CE2 PHE A 165 6.797 -5.004 4.734 1.00 0.00 C ATOM 213 CZ PHE A 165 7.861 -4.131 4.844 1.00 0.00 C ATOM 0 H PHE A 165 6.651 -7.076 -1.406 1.00 0.00 H new ATOM 0 HA PHE A 165 8.549 -6.548 0.792 1.00 0.00 H new ATOM 0 HB2 PHE A 165 6.676 -4.735 0.284 1.00 0.00 H new ATOM 0 HB3 PHE A 165 5.616 -5.900 1.050 1.00 0.00 H new ATOM 0 HD1 PHE A 165 8.670 -3.859 1.585 1.00 0.00 H new ATOM 0 HD2 PHE A 165 5.574 -6.147 3.410 1.00 0.00 H new ATOM 0 HE1 PHE A 165 9.362 -3.032 3.792 1.00 0.00 H new ATOM 0 HE2 PHE A 165 6.269 -5.327 5.619 1.00 0.00 H new ATOM 0 HZ PHE A 165 8.168 -3.772 5.815 1.00 0.00 H new ATOM 223 N ASN A 166 7.944 -8.786 1.630 1.00 0.00 N ATOM 224 CA ASN A 166 7.606 -10.080 2.209 1.00 0.00 C ATOM 225 C ASN A 166 7.718 -10.037 3.731 1.00 0.00 C ATOM 226 O ASN A 166 8.711 -10.487 4.303 1.00 0.00 O ATOM 227 CB ASN A 166 8.525 -11.169 1.649 1.00 0.00 C ATOM 228 CG ASN A 166 7.899 -11.905 0.479 1.00 0.00 C ATOM 229 OD1 ASN A 166 6.723 -12.264 0.512 1.00 0.00 O ATOM 230 ND2 ASN A 166 8.689 -12.136 -0.565 1.00 0.00 N ATOM 0 H ASN A 166 8.924 -8.521 1.733 1.00 0.00 H new ATOM 0 HA ASN A 166 6.575 -10.313 1.943 1.00 0.00 H new ATOM 0 HB2 ASN A 166 9.466 -10.719 1.331 1.00 0.00 H new ATOM 0 HB3 ASN A 166 8.763 -11.882 2.438 1.00 0.00 H new ATOM 0 HD21 ASN A 166 8.325 -12.629 -1.381 1.00 0.00 H new ATOM 0 HD22 ASN A 166 9.659 -11.821 -0.550 1.00 0.00 H new ATOM 237 N PRO A 167 6.694 -9.489 4.410 1.00 0.00 N ATOM 238 CA PRO A 167 6.681 -9.384 5.868 1.00 0.00 C ATOM 239 C PRO A 167 6.260 -10.684 6.542 1.00 0.00 C ATOM 240 O PRO A 167 5.161 -11.190 6.314 1.00 0.00 O ATOM 241 CB PRO A 167 5.646 -8.292 6.121 1.00 0.00 C ATOM 242 CG PRO A 167 4.690 -8.402 4.979 1.00 0.00 C ATOM 243 CD PRO A 167 5.471 -8.927 3.805 1.00 0.00 C ATOM 0 HA PRO A 167 7.669 -9.165 6.274 1.00 0.00 H new ATOM 0 HB2 PRO A 167 5.141 -8.439 7.076 1.00 0.00 H new ATOM 0 HB3 PRO A 167 6.111 -7.307 6.155 1.00 0.00 H new ATOM 0 HG2 PRO A 167 3.868 -9.073 5.227 1.00 0.00 H new ATOM 0 HG3 PRO A 167 4.251 -7.431 4.748 1.00 0.00 H new ATOM 0 HD2 PRO A 167 4.910 -9.687 3.260 1.00 0.00 H new ATOM 0 HD3 PRO A 167 5.705 -8.134 3.095 1.00 0.00 H new ATOM 251 N GLN A 168 7.141 -11.218 7.380 1.00 0.00 N ATOM 252 CA GLN A 168 6.862 -12.458 8.096 1.00 0.00 C ATOM 253 C GLN A 168 6.006 -12.191 9.330 1.00 0.00 C ATOM 254 O GLN A 168 5.311 -13.083 9.819 1.00 0.00 O ATOM 255 CB GLN A 168 8.169 -13.140 8.504 1.00 0.00 C ATOM 256 CG GLN A 168 8.110 -14.658 8.437 1.00 0.00 C ATOM 257 CD GLN A 168 9.434 -15.277 8.038 1.00 0.00 C ATOM 258 OE1 GLN A 168 9.711 -15.470 6.854 1.00 0.00 O ATOM 259 NE2 GLN A 168 10.263 -15.591 9.027 1.00 0.00 N ATOM 0 H GLN A 168 8.055 -10.812 7.581 1.00 0.00 H new ATOM 0 HA GLN A 168 6.309 -13.119 7.429 1.00 0.00 H new ATOM 0 HB2 GLN A 168 8.971 -12.787 7.856 1.00 0.00 H new ATOM 0 HB3 GLN A 168 8.424 -12.839 9.520 1.00 0.00 H new ATOM 0 HG2 GLN A 168 7.809 -15.049 9.409 1.00 0.00 H new ATOM 0 HG3 GLN A 168 7.344 -14.957 7.722 1.00 0.00 H new ATOM 0 HE21 GLN A 168 9.993 -15.414 9.994 1.00 0.00 H new ATOM 0 HE22 GLN A 168 11.170 -16.009 8.819 1.00 0.00 H new ATOM 268 N GLU A 169 6.059 -10.959 9.830 1.00 0.00 N ATOM 269 CA GLU A 169 5.287 -10.579 11.007 1.00 0.00 C ATOM 270 C GLU A 169 3.895 -10.097 10.611 1.00 0.00 C ATOM 271 O GLU A 169 3.611 -9.891 9.431 1.00 0.00 O ATOM 272 CB GLU A 169 6.016 -9.483 11.788 1.00 0.00 C ATOM 273 CG GLU A 169 7.500 -9.752 11.972 1.00 0.00 C ATOM 274 CD GLU A 169 7.770 -10.965 12.842 1.00 0.00 C ATOM 275 OE1 GLU A 169 7.744 -12.094 12.310 1.00 0.00 O ATOM 276 OE2 GLU A 169 8.006 -10.784 14.055 1.00 0.00 O ATOM 0 H GLU A 169 6.628 -10.209 9.438 1.00 0.00 H new ATOM 0 HA GLU A 169 5.181 -11.459 11.642 1.00 0.00 H new ATOM 0 HB2 GLU A 169 5.889 -8.533 11.269 1.00 0.00 H new ATOM 0 HB3 GLU A 169 5.550 -9.376 12.768 1.00 0.00 H new ATOM 0 HG2 GLU A 169 7.962 -9.899 10.996 1.00 0.00 H new ATOM 0 HG3 GLU A 169 7.971 -8.877 12.419 1.00 0.00 H new ATOM 283 N SER A 170 3.032 -9.920 11.605 1.00 0.00 N ATOM 284 CA SER A 170 1.668 -9.463 11.359 1.00 0.00 C ATOM 285 C SER A 170 1.585 -7.941 11.403 1.00 0.00 C ATOM 286 O SER A 170 2.332 -7.288 12.133 1.00 0.00 O ATOM 287 CB SER A 170 0.712 -10.066 12.390 1.00 0.00 C ATOM 288 OG SER A 170 1.374 -10.310 13.619 1.00 0.00 O ATOM 0 H SER A 170 3.251 -10.085 12.587 1.00 0.00 H new ATOM 0 HA SER A 170 1.376 -9.795 10.363 1.00 0.00 H new ATOM 0 HB2 SER A 170 -0.126 -9.388 12.553 1.00 0.00 H new ATOM 0 HB3 SER A 170 0.298 -10.998 12.005 1.00 0.00 H new ATOM 0 HG SER A 170 0.741 -10.694 14.261 1.00 0.00 H new ATOM 294 N GLY A 171 0.674 -7.382 10.613 1.00 0.00 N ATOM 295 CA GLY A 171 0.509 -5.941 10.572 1.00 0.00 C ATOM 296 C GLY A 171 0.967 -5.347 9.257 1.00 0.00 C ATOM 297 O GLY A 171 0.381 -4.385 8.764 1.00 0.00 O ATOM 0 H GLY A 171 0.046 -7.902 10.000 1.00 0.00 H new ATOM 0 HA2 GLY A 171 -0.540 -5.693 10.734 1.00 0.00 H new ATOM 0 HA3 GLY A 171 1.073 -5.490 11.388 1.00 0.00 H new ATOM 301 N GLU A 172 2.017 -5.926 8.684 1.00 0.00 N ATOM 302 CA GLU A 172 2.556 -5.452 7.415 1.00 0.00 C ATOM 303 C GLU A 172 1.892 -6.164 6.245 1.00 0.00 C ATOM 304 O GLU A 172 1.850 -7.393 6.198 1.00 0.00 O ATOM 305 CB GLU A 172 4.069 -5.672 7.369 1.00 0.00 C ATOM 306 CG GLU A 172 4.825 -4.944 8.470 1.00 0.00 C ATOM 307 CD GLU A 172 5.900 -5.804 9.106 1.00 0.00 C ATOM 308 OE1 GLU A 172 5.677 -7.025 9.251 1.00 0.00 O ATOM 309 OE2 GLU A 172 6.965 -5.257 9.460 1.00 0.00 O ATOM 0 H GLU A 172 2.512 -6.725 9.079 1.00 0.00 H new ATOM 0 HA GLU A 172 2.347 -4.385 7.333 1.00 0.00 H new ATOM 0 HB2 GLU A 172 4.275 -6.740 7.444 1.00 0.00 H new ATOM 0 HB3 GLU A 172 4.446 -5.342 6.401 1.00 0.00 H new ATOM 0 HG2 GLU A 172 5.281 -4.044 8.058 1.00 0.00 H new ATOM 0 HG3 GLU A 172 4.121 -4.622 9.237 1.00 0.00 H new ATOM 316 N LEU A 173 1.365 -5.388 5.302 1.00 0.00 N ATOM 317 CA LEU A 173 0.699 -5.956 4.138 1.00 0.00 C ATOM 318 C LEU A 173 1.707 -6.637 3.213 1.00 0.00 C ATOM 319 O LEU A 173 2.834 -6.170 3.058 1.00 0.00 O ATOM 320 CB LEU A 173 -0.089 -4.866 3.388 1.00 0.00 C ATOM 321 CG LEU A 173 0.220 -4.712 1.898 1.00 0.00 C ATOM 322 CD1 LEU A 173 -0.480 -5.798 1.096 1.00 0.00 C ATOM 323 CD2 LEU A 173 -0.197 -3.332 1.406 1.00 0.00 C ATOM 0 H LEU A 173 1.387 -4.368 5.322 1.00 0.00 H new ATOM 0 HA LEU A 173 -0.005 -6.715 4.479 1.00 0.00 H new ATOM 0 HB2 LEU A 173 -1.153 -5.076 3.497 1.00 0.00 H new ATOM 0 HB3 LEU A 173 0.099 -3.910 3.877 1.00 0.00 H new ATOM 0 HG LEU A 173 1.296 -4.817 1.756 1.00 0.00 H new ATOM 0 HD11 LEU A 173 -0.250 -5.674 0.038 1.00 0.00 H new ATOM 0 HD12 LEU A 173 -0.135 -6.777 1.430 1.00 0.00 H new ATOM 0 HD13 LEU A 173 -1.557 -5.723 1.244 1.00 0.00 H new ATOM 0 HD21 LEU A 173 0.030 -3.240 0.344 1.00 0.00 H new ATOM 0 HD22 LEU A 173 -1.268 -3.199 1.561 1.00 0.00 H new ATOM 0 HD23 LEU A 173 0.348 -2.568 1.961 1.00 0.00 H new ATOM 335 N ALA A 174 1.289 -7.735 2.593 1.00 0.00 N ATOM 336 CA ALA A 174 2.151 -8.470 1.675 1.00 0.00 C ATOM 337 C ALA A 174 1.867 -8.063 0.236 1.00 0.00 C ATOM 338 O ALA A 174 0.824 -8.402 -0.321 1.00 0.00 O ATOM 339 CB ALA A 174 1.960 -9.969 1.853 1.00 0.00 C ATOM 0 H ALA A 174 0.358 -8.136 2.710 1.00 0.00 H new ATOM 0 HA ALA A 174 3.188 -8.225 1.903 1.00 0.00 H new ATOM 0 HB1 ALA A 174 2.610 -10.503 1.161 1.00 0.00 H new ATOM 0 HB2 ALA A 174 2.211 -10.249 2.876 1.00 0.00 H new ATOM 0 HB3 ALA A 174 0.921 -10.230 1.650 1.00 0.00 H new ATOM 345 N PHE A 175 2.796 -7.321 -0.360 1.00 0.00 N ATOM 346 CA PHE A 175 2.633 -6.857 -1.731 1.00 0.00 C ATOM 347 C PHE A 175 3.924 -7.014 -2.527 1.00 0.00 C ATOM 348 O PHE A 175 5.009 -7.122 -1.955 1.00 0.00 O ATOM 349 CB PHE A 175 2.191 -5.393 -1.743 1.00 0.00 C ATOM 350 CG PHE A 175 3.150 -4.466 -1.049 1.00 0.00 C ATOM 351 CD1 PHE A 175 3.401 -4.592 0.311 1.00 0.00 C ATOM 352 CD2 PHE A 175 3.800 -3.466 -1.753 1.00 0.00 C ATOM 353 CE1 PHE A 175 4.279 -3.740 0.952 1.00 0.00 C ATOM 354 CE2 PHE A 175 4.683 -2.612 -1.118 1.00 0.00 C ATOM 355 CZ PHE A 175 4.921 -2.748 0.236 1.00 0.00 C ATOM 0 H PHE A 175 3.666 -7.030 0.085 1.00 0.00 H new ATOM 0 HA PHE A 175 1.866 -7.471 -2.202 1.00 0.00 H new ATOM 0 HB2 PHE A 175 2.069 -5.068 -2.776 1.00 0.00 H new ATOM 0 HB3 PHE A 175 1.214 -5.314 -1.266 1.00 0.00 H new ATOM 0 HD1 PHE A 175 2.903 -5.367 0.875 1.00 0.00 H new ATOM 0 HD2 PHE A 175 3.615 -3.352 -2.811 1.00 0.00 H new ATOM 0 HE1 PHE A 175 4.463 -3.849 2.011 1.00 0.00 H new ATOM 0 HE2 PHE A 175 5.186 -1.839 -1.680 1.00 0.00 H new ATOM 0 HZ PHE A 175 5.608 -2.080 0.734 1.00 0.00 H new ATOM 365 N LYS A 176 3.794 -7.024 -3.847 1.00 0.00 N ATOM 366 CA LYS A 176 4.946 -7.163 -4.732 1.00 0.00 C ATOM 367 C LYS A 176 5.103 -5.925 -5.608 1.00 0.00 C ATOM 368 O LYS A 176 4.476 -4.895 -5.360 1.00 0.00 O ATOM 369 CB LYS A 176 4.796 -8.409 -5.607 1.00 0.00 C ATOM 370 CG LYS A 176 4.348 -9.642 -4.841 1.00 0.00 C ATOM 371 CD LYS A 176 3.885 -10.744 -5.778 1.00 0.00 C ATOM 372 CE LYS A 176 2.395 -10.646 -6.062 1.00 0.00 C ATOM 373 NZ LYS A 176 2.034 -11.271 -7.364 1.00 0.00 N ATOM 0 H LYS A 176 2.900 -6.937 -4.331 1.00 0.00 H new ATOM 0 HA LYS A 176 5.840 -7.269 -4.117 1.00 0.00 H new ATOM 0 HB2 LYS A 176 4.076 -8.202 -6.398 1.00 0.00 H new ATOM 0 HB3 LYS A 176 5.750 -8.619 -6.091 1.00 0.00 H new ATOM 0 HG2 LYS A 176 5.170 -10.008 -4.226 1.00 0.00 H new ATOM 0 HG3 LYS A 176 3.537 -9.375 -4.163 1.00 0.00 H new ATOM 0 HD2 LYS A 176 4.439 -10.683 -6.714 1.00 0.00 H new ATOM 0 HD3 LYS A 176 4.109 -11.715 -5.337 1.00 0.00 H new ATOM 0 HE2 LYS A 176 1.840 -11.133 -5.260 1.00 0.00 H new ATOM 0 HE3 LYS A 176 2.095 -9.598 -6.067 1.00 0.00 H new ATOM 0 HZ1 LYS A 176 1.009 -11.183 -7.519 1.00 0.00 H new ATOM 0 HZ2 LYS A 176 2.543 -10.790 -8.133 1.00 0.00 H new ATOM 0 HZ3 LYS A 176 2.297 -12.277 -7.351 1.00 0.00 H new ATOM 387 N ARG A 177 5.942 -6.029 -6.631 1.00 0.00 N ATOM 388 CA ARG A 177 6.176 -4.914 -7.543 1.00 0.00 C ATOM 389 C ARG A 177 4.939 -4.635 -8.389 1.00 0.00 C ATOM 390 O ARG A 177 4.273 -5.557 -8.861 1.00 0.00 O ATOM 391 CB ARG A 177 7.375 -5.209 -8.445 1.00 0.00 C ATOM 392 CG ARG A 177 8.519 -4.224 -8.274 1.00 0.00 C ATOM 393 CD ARG A 177 9.868 -4.882 -8.521 1.00 0.00 C ATOM 394 NE ARG A 177 10.484 -4.420 -9.762 1.00 0.00 N ATOM 395 CZ ARG A 177 10.154 -4.875 -10.969 1.00 0.00 C ATOM 396 NH1 ARG A 177 9.216 -5.805 -11.101 1.00 0.00 N ATOM 397 NH2 ARG A 177 10.765 -4.399 -12.046 1.00 0.00 N ATOM 0 H ARG A 177 6.472 -6.873 -6.851 1.00 0.00 H new ATOM 0 HA ARG A 177 6.391 -4.027 -6.947 1.00 0.00 H new ATOM 0 HB2 ARG A 177 7.738 -6.215 -8.236 1.00 0.00 H new ATOM 0 HB3 ARG A 177 7.049 -5.198 -9.485 1.00 0.00 H new ATOM 0 HG2 ARG A 177 8.388 -3.391 -8.965 1.00 0.00 H new ATOM 0 HG3 ARG A 177 8.495 -3.810 -7.266 1.00 0.00 H new ATOM 0 HD2 ARG A 177 10.534 -4.669 -7.685 1.00 0.00 H new ATOM 0 HD3 ARG A 177 9.742 -5.964 -8.560 1.00 0.00 H new ATOM 0 HE ARG A 177 11.210 -3.706 -9.700 1.00 0.00 H new ATOM 0 HH11 ARG A 177 8.744 -6.174 -10.275 1.00 0.00 H new ATOM 0 HH12 ARG A 177 8.967 -6.150 -12.028 1.00 0.00 H new ATOM 0 HH21 ARG A 177 11.487 -3.685 -11.949 1.00 0.00 H new ATOM 0 HH22 ARG A 177 10.513 -4.747 -12.971 1.00 0.00 H new ATOM 411 N GLY A 178 4.636 -3.354 -8.577 1.00 0.00 N ATOM 412 CA GLY A 178 3.479 -2.972 -9.363 1.00 0.00 C ATOM 413 C GLY A 178 2.177 -3.460 -8.755 1.00 0.00 C ATOM 414 O GLY A 178 1.148 -3.500 -9.429 1.00 0.00 O ATOM 0 H GLY A 178 5.173 -2.574 -8.198 1.00 0.00 H new ATOM 0 HA2 GLY A 178 3.449 -1.886 -9.455 1.00 0.00 H new ATOM 0 HA3 GLY A 178 3.579 -3.375 -10.371 1.00 0.00 H new ATOM 418 N ASP A 179 2.222 -3.830 -7.480 1.00 0.00 N ATOM 419 CA ASP A 179 1.042 -4.315 -6.782 1.00 0.00 C ATOM 420 C ASP A 179 0.076 -3.174 -6.484 1.00 0.00 C ATOM 421 O ASP A 179 0.353 -2.318 -5.642 1.00 0.00 O ATOM 422 CB ASP A 179 1.448 -5.006 -5.479 1.00 0.00 C ATOM 423 CG ASP A 179 0.278 -5.676 -4.786 1.00 0.00 C ATOM 424 OD1 ASP A 179 -0.877 -5.395 -5.167 1.00 0.00 O ATOM 425 OD2 ASP A 179 0.518 -6.482 -3.864 1.00 0.00 O ATOM 0 H ASP A 179 3.067 -3.802 -6.909 1.00 0.00 H new ATOM 0 HA ASP A 179 0.537 -5.033 -7.428 1.00 0.00 H new ATOM 0 HB2 ASP A 179 2.215 -5.751 -5.691 1.00 0.00 H new ATOM 0 HB3 ASP A 179 1.893 -4.273 -4.806 1.00 0.00 H new ATOM 430 N VAL A 180 -1.059 -3.164 -7.175 1.00 0.00 N ATOM 431 CA VAL A 180 -2.063 -2.128 -6.973 1.00 0.00 C ATOM 432 C VAL A 180 -2.718 -2.284 -5.608 1.00 0.00 C ATOM 433 O VAL A 180 -3.582 -3.140 -5.417 1.00 0.00 O ATOM 434 CB VAL A 180 -3.149 -2.172 -8.066 1.00 0.00 C ATOM 435 CG1 VAL A 180 -4.099 -0.993 -7.926 1.00 0.00 C ATOM 436 CG2 VAL A 180 -2.515 -2.193 -9.448 1.00 0.00 C ATOM 0 H VAL A 180 -1.306 -3.860 -7.878 1.00 0.00 H new ATOM 0 HA VAL A 180 -1.554 -1.166 -7.029 1.00 0.00 H new ATOM 0 HB VAL A 180 -3.725 -3.089 -7.941 1.00 0.00 H new ATOM 0 HG11 VAL A 180 -4.858 -1.043 -8.707 1.00 0.00 H new ATOM 0 HG12 VAL A 180 -4.581 -1.028 -6.949 1.00 0.00 H new ATOM 0 HG13 VAL A 180 -3.540 -0.062 -8.022 1.00 0.00 H new ATOM 0 HG21 VAL A 180 -3.297 -2.224 -10.207 1.00 0.00 H new ATOM 0 HG22 VAL A 180 -1.912 -1.296 -9.585 1.00 0.00 H new ATOM 0 HG23 VAL A 180 -1.881 -3.074 -9.544 1.00 0.00 H new ATOM 446 N ILE A 181 -2.290 -1.462 -4.655 1.00 0.00 N ATOM 447 CA ILE A 181 -2.827 -1.526 -3.300 1.00 0.00 C ATOM 448 C ILE A 181 -3.861 -0.436 -3.051 1.00 0.00 C ATOM 449 O ILE A 181 -3.705 0.702 -3.495 1.00 0.00 O ATOM 450 CB ILE A 181 -1.707 -1.400 -2.247 1.00 0.00 C ATOM 451 CG1 ILE A 181 -0.458 -2.162 -2.700 1.00 0.00 C ATOM 452 CG2 ILE A 181 -2.197 -1.911 -0.897 1.00 0.00 C ATOM 453 CD1 ILE A 181 0.611 -2.275 -1.632 1.00 0.00 C ATOM 0 H ILE A 181 -1.576 -0.747 -4.795 1.00 0.00 H new ATOM 0 HA ILE A 181 -3.308 -2.500 -3.204 1.00 0.00 H new ATOM 0 HB ILE A 181 -1.440 -0.349 -2.140 1.00 0.00 H new ATOM 0 HG12 ILE A 181 -0.750 -3.164 -3.016 1.00 0.00 H new ATOM 0 HG13 ILE A 181 -0.036 -1.663 -3.572 1.00 0.00 H new ATOM 0 HG21 ILE A 181 -1.399 -1.818 -0.161 1.00 0.00 H new ATOM 0 HG22 ILE A 181 -3.057 -1.323 -0.576 1.00 0.00 H new ATOM 0 HG23 ILE A 181 -2.486 -2.958 -0.987 1.00 0.00 H new ATOM 0 HD11 ILE A 181 1.464 -2.827 -2.028 1.00 0.00 H new ATOM 0 HD12 ILE A 181 0.932 -1.278 -1.332 1.00 0.00 H new ATOM 0 HD13 ILE A 181 0.207 -2.802 -0.767 1.00 0.00 H new ATOM 465 N THR A 182 -4.916 -0.794 -2.325 1.00 0.00 N ATOM 466 CA THR A 182 -5.979 0.146 -1.996 1.00 0.00 C ATOM 467 C THR A 182 -5.700 0.808 -0.652 1.00 0.00 C ATOM 468 O THR A 182 -5.947 0.221 0.400 1.00 0.00 O ATOM 469 CB THR A 182 -7.329 -0.573 -1.950 1.00 0.00 C ATOM 470 OG1 THR A 182 -7.461 -1.459 -3.047 1.00 0.00 O ATOM 471 CG2 THR A 182 -8.512 0.371 -1.977 1.00 0.00 C ATOM 0 H THR A 182 -5.056 -1.733 -1.953 1.00 0.00 H new ATOM 0 HA THR A 182 -6.014 0.913 -2.769 1.00 0.00 H new ATOM 0 HB THR A 182 -7.338 -1.112 -1.003 1.00 0.00 H new ATOM 0 HG1 THR A 182 -6.918 -2.259 -2.888 1.00 0.00 H new ATOM 0 HG21 THR A 182 -9.437 -0.204 -1.942 1.00 0.00 H new ATOM 0 HG22 THR A 182 -8.466 1.037 -1.115 1.00 0.00 H new ATOM 0 HG23 THR A 182 -8.486 0.961 -2.893 1.00 0.00 H new ATOM 479 N LEU A 183 -5.173 2.030 -0.693 1.00 0.00 N ATOM 480 CA LEU A 183 -4.847 2.764 0.526 1.00 0.00 C ATOM 481 C LEU A 183 -5.986 2.698 1.539 1.00 0.00 C ATOM 482 O LEU A 183 -7.099 3.152 1.275 1.00 0.00 O ATOM 483 CB LEU A 183 -4.522 4.223 0.206 1.00 0.00 C ATOM 484 CG LEU A 183 -3.865 5.002 1.349 1.00 0.00 C ATOM 485 CD1 LEU A 183 -2.575 4.325 1.790 1.00 0.00 C ATOM 486 CD2 LEU A 183 -3.598 6.440 0.931 1.00 0.00 C ATOM 0 H LEU A 183 -4.963 2.531 -1.556 1.00 0.00 H new ATOM 0 HA LEU A 183 -3.970 2.291 0.967 1.00 0.00 H new ATOM 0 HB2 LEU A 183 -3.861 4.251 -0.661 1.00 0.00 H new ATOM 0 HB3 LEU A 183 -5.443 4.731 -0.079 1.00 0.00 H new ATOM 0 HG LEU A 183 -4.552 5.011 2.195 1.00 0.00 H new ATOM 0 HD11 LEU A 183 -2.125 4.895 2.603 1.00 0.00 H new ATOM 0 HD12 LEU A 183 -2.794 3.314 2.133 1.00 0.00 H new ATOM 0 HD13 LEU A 183 -1.882 4.281 0.950 1.00 0.00 H new ATOM 0 HD21 LEU A 183 -3.131 6.978 1.756 1.00 0.00 H new ATOM 0 HD22 LEU A 183 -2.932 6.450 0.068 1.00 0.00 H new ATOM 0 HD23 LEU A 183 -4.539 6.924 0.669 1.00 0.00 H new ATOM 498 N ILE A 184 -5.692 2.131 2.703 1.00 0.00 N ATOM 499 CA ILE A 184 -6.675 2.001 3.769 1.00 0.00 C ATOM 500 C ILE A 184 -6.648 3.227 4.675 1.00 0.00 C ATOM 501 O ILE A 184 -7.689 3.697 5.136 1.00 0.00 O ATOM 502 CB ILE A 184 -6.416 0.739 4.614 1.00 0.00 C ATOM 503 CG1 ILE A 184 -6.312 -0.497 3.716 1.00 0.00 C ATOM 504 CG2 ILE A 184 -7.515 0.556 5.650 1.00 0.00 C ATOM 505 CD1 ILE A 184 -5.522 -1.628 4.335 1.00 0.00 C ATOM 0 H ILE A 184 -4.773 1.752 2.932 1.00 0.00 H new ATOM 0 HA ILE A 184 -7.656 1.916 3.301 1.00 0.00 H new ATOM 0 HB ILE A 184 -5.468 0.864 5.137 1.00 0.00 H new ATOM 0 HG12 ILE A 184 -7.316 -0.851 3.482 1.00 0.00 H new ATOM 0 HG13 ILE A 184 -5.846 -0.213 2.773 1.00 0.00 H new ATOM 0 HG21 ILE A 184 -7.316 -0.340 6.238 1.00 0.00 H new ATOM 0 HG22 ILE A 184 -7.542 1.424 6.309 1.00 0.00 H new ATOM 0 HG23 ILE A 184 -8.476 0.453 5.146 1.00 0.00 H new ATOM 0 HD11 ILE A 184 -5.490 -2.470 3.644 1.00 0.00 H new ATOM 0 HD12 ILE A 184 -4.507 -1.291 4.544 1.00 0.00 H new ATOM 0 HD13 ILE A 184 -5.999 -1.939 5.264 1.00 0.00 H new ATOM 517 N ASN A 185 -5.448 3.748 4.917 1.00 0.00 N ATOM 518 CA ASN A 185 -5.275 4.927 5.760 1.00 0.00 C ATOM 519 C ASN A 185 -3.806 5.336 5.824 1.00 0.00 C ATOM 520 O ASN A 185 -2.928 4.613 5.348 1.00 0.00 O ATOM 521 CB ASN A 185 -5.812 4.666 7.171 1.00 0.00 C ATOM 522 CG ASN A 185 -4.977 3.658 7.937 1.00 0.00 C ATOM 523 OD1 ASN A 185 -4.195 4.021 8.814 1.00 0.00 O ATOM 524 ND2 ASN A 185 -5.144 2.385 7.606 1.00 0.00 N ATOM 0 H ASN A 185 -4.579 3.371 4.540 1.00 0.00 H new ATOM 0 HA ASN A 185 -5.843 5.745 5.316 1.00 0.00 H new ATOM 0 HB2 ASN A 185 -5.839 5.605 7.724 1.00 0.00 H new ATOM 0 HB3 ASN A 185 -6.838 4.305 7.104 1.00 0.00 H new ATOM 0 HD21 ASN A 185 -4.612 1.659 8.086 1.00 0.00 H new ATOM 0 HD22 ASN A 185 -5.805 2.131 6.871 1.00 0.00 H new ATOM 531 N LYS A 186 -3.544 6.497 6.411 1.00 0.00 N ATOM 532 CA LYS A 186 -2.182 7.001 6.539 1.00 0.00 C ATOM 533 C LYS A 186 -1.837 7.258 8.002 1.00 0.00 C ATOM 534 O LYS A 186 -1.485 8.376 8.382 1.00 0.00 O ATOM 535 CB LYS A 186 -2.015 8.289 5.732 1.00 0.00 C ATOM 536 CG LYS A 186 -1.802 8.055 4.244 1.00 0.00 C ATOM 537 CD LYS A 186 -1.915 9.348 3.456 1.00 0.00 C ATOM 538 CE LYS A 186 -3.356 9.824 3.368 1.00 0.00 C ATOM 539 NZ LYS A 186 -3.585 10.687 2.177 1.00 0.00 N ATOM 0 H LYS A 186 -4.258 7.108 6.807 1.00 0.00 H new ATOM 0 HA LYS A 186 -1.501 6.245 6.148 1.00 0.00 H new ATOM 0 HB2 LYS A 186 -2.899 8.911 5.870 1.00 0.00 H new ATOM 0 HB3 LYS A 186 -1.167 8.848 6.128 1.00 0.00 H new ATOM 0 HG2 LYS A 186 -0.819 7.613 4.081 1.00 0.00 H new ATOM 0 HG3 LYS A 186 -2.538 7.339 3.878 1.00 0.00 H new ATOM 0 HD2 LYS A 186 -1.305 10.118 3.929 1.00 0.00 H new ATOM 0 HD3 LYS A 186 -1.518 9.199 2.452 1.00 0.00 H new ATOM 0 HE2 LYS A 186 -4.021 8.961 3.324 1.00 0.00 H new ATOM 0 HE3 LYS A 186 -3.611 10.378 4.272 1.00 0.00 H new ATOM 0 HZ1 LYS A 186 -4.580 10.990 2.154 1.00 0.00 H new ATOM 0 HZ2 LYS A 186 -2.969 11.523 2.231 1.00 0.00 H new ATOM 0 HZ3 LYS A 186 -3.366 10.151 1.313 1.00 0.00 H new ATOM 553 N ASP A 187 -1.945 6.218 8.819 1.00 0.00 N ATOM 554 CA ASP A 187 -1.647 6.331 10.242 1.00 0.00 C ATOM 555 C ASP A 187 -0.226 6.845 10.470 1.00 0.00 C ATOM 556 O ASP A 187 0.085 7.376 11.536 1.00 0.00 O ATOM 557 CB ASP A 187 -1.830 4.979 10.933 1.00 0.00 C ATOM 558 CG ASP A 187 -1.834 5.098 12.444 1.00 0.00 C ATOM 559 OD1 ASP A 187 -0.749 5.312 13.027 1.00 0.00 O ATOM 560 OD2 ASP A 187 -2.921 4.976 13.047 1.00 0.00 O ATOM 0 H ASP A 187 -2.237 5.287 8.521 1.00 0.00 H new ATOM 0 HA ASP A 187 -2.344 7.050 10.673 1.00 0.00 H new ATOM 0 HB2 ASP A 187 -2.767 4.530 10.604 1.00 0.00 H new ATOM 0 HB3 ASP A 187 -1.029 4.306 10.626 1.00 0.00 H new ATOM 565 N ASP A 188 0.630 6.684 9.467 1.00 0.00 N ATOM 566 CA ASP A 188 2.015 7.135 9.566 1.00 0.00 C ATOM 567 C ASP A 188 2.455 7.824 8.274 1.00 0.00 C ATOM 568 O ASP A 188 2.281 7.279 7.186 1.00 0.00 O ATOM 569 CB ASP A 188 2.934 5.953 9.865 1.00 0.00 C ATOM 570 CG ASP A 188 4.378 6.375 10.053 1.00 0.00 C ATOM 571 OD1 ASP A 188 4.673 7.057 11.057 1.00 0.00 O ATOM 572 OD2 ASP A 188 5.216 6.024 9.195 1.00 0.00 O ATOM 0 H ASP A 188 0.391 6.246 8.578 1.00 0.00 H new ATOM 0 HA ASP A 188 2.082 7.855 10.382 1.00 0.00 H new ATOM 0 HB2 ASP A 188 2.587 5.445 10.765 1.00 0.00 H new ATOM 0 HB3 ASP A 188 2.872 5.233 9.049 1.00 0.00 H new ATOM 577 N PRO A 189 3.034 9.034 8.375 1.00 0.00 N ATOM 578 CA PRO A 189 3.495 9.789 7.205 1.00 0.00 C ATOM 579 C PRO A 189 4.406 8.970 6.297 1.00 0.00 C ATOM 580 O PRO A 189 4.536 9.262 5.109 1.00 0.00 O ATOM 581 CB PRO A 189 4.264 10.979 7.807 1.00 0.00 C ATOM 582 CG PRO A 189 4.442 10.652 9.253 1.00 0.00 C ATOM 583 CD PRO A 189 3.291 9.762 9.624 1.00 0.00 C ATOM 0 HA PRO A 189 2.659 10.087 6.572 1.00 0.00 H new ATOM 0 HB2 PRO A 189 5.227 11.113 7.314 1.00 0.00 H new ATOM 0 HB3 PRO A 189 3.709 11.909 7.681 1.00 0.00 H new ATOM 0 HG2 PRO A 189 5.394 10.150 9.425 1.00 0.00 H new ATOM 0 HG3 PRO A 189 4.446 11.558 9.860 1.00 0.00 H new ATOM 0 HD2 PRO A 189 3.547 9.088 10.441 1.00 0.00 H new ATOM 0 HD3 PRO A 189 2.422 10.336 9.945 1.00 0.00 H new ATOM 591 N ASN A 190 5.036 7.945 6.861 1.00 0.00 N ATOM 592 CA ASN A 190 5.934 7.088 6.093 1.00 0.00 C ATOM 593 C ASN A 190 5.302 5.731 5.823 1.00 0.00 C ATOM 594 O ASN A 190 5.475 5.158 4.747 1.00 0.00 O ATOM 595 CB ASN A 190 7.252 6.892 6.840 1.00 0.00 C ATOM 596 CG ASN A 190 8.234 8.010 6.572 1.00 0.00 C ATOM 597 OD1 ASN A 190 8.567 8.792 7.463 1.00 0.00 O ATOM 598 ND2 ASN A 190 8.702 8.089 5.334 1.00 0.00 N ATOM 0 H ASN A 190 4.942 7.687 7.844 1.00 0.00 H new ATOM 0 HA ASN A 190 6.125 7.581 5.140 1.00 0.00 H new ATOM 0 HB2 ASN A 190 7.055 6.833 7.910 1.00 0.00 H new ATOM 0 HB3 ASN A 190 7.697 5.942 6.545 1.00 0.00 H new ATOM 0 HD21 ASN A 190 9.368 8.821 5.086 1.00 0.00 H new ATOM 0 HD22 ASN A 190 8.396 7.418 4.629 1.00 0.00 H new ATOM 605 N TRP A 191 4.582 5.219 6.809 1.00 0.00 N ATOM 606 CA TRP A 191 3.936 3.920 6.685 1.00 0.00 C ATOM 607 C TRP A 191 2.454 4.074 6.375 1.00 0.00 C ATOM 608 O TRP A 191 1.676 4.535 7.210 1.00 0.00 O ATOM 609 CB TRP A 191 4.132 3.115 7.968 1.00 0.00 C ATOM 610 CG TRP A 191 5.438 2.384 8.010 1.00 0.00 C ATOM 611 CD1 TRP A 191 6.680 2.935 8.155 1.00 0.00 C ATOM 612 CD2 TRP A 191 5.637 0.969 7.902 1.00 0.00 C ATOM 613 NE1 TRP A 191 7.636 1.950 8.145 1.00 0.00 N ATOM 614 CE2 TRP A 191 7.022 0.735 7.991 1.00 0.00 C ATOM 615 CE3 TRP A 191 4.777 -0.120 7.740 1.00 0.00 C ATOM 616 CZ2 TRP A 191 7.566 -0.545 7.923 1.00 0.00 C ATOM 617 CZ3 TRP A 191 5.319 -1.391 7.671 1.00 0.00 C ATOM 618 CH2 TRP A 191 6.700 -1.594 7.764 1.00 0.00 C ATOM 0 H TRP A 191 4.430 5.683 7.705 1.00 0.00 H new ATOM 0 HA TRP A 191 4.398 3.384 5.856 1.00 0.00 H new ATOM 0 HB2 TRP A 191 4.071 3.787 8.824 1.00 0.00 H new ATOM 0 HB3 TRP A 191 3.318 2.397 8.067 1.00 0.00 H new ATOM 0 HD1 TRP A 191 6.880 3.991 8.262 1.00 0.00 H new ATOM 0 HE1 TRP A 191 8.641 2.099 8.237 1.00 0.00 H new ATOM 0 HE3 TRP A 191 3.709 0.028 7.670 1.00 0.00 H new ATOM 0 HZ2 TRP A 191 8.632 -0.705 7.993 1.00 0.00 H new ATOM 0 HZ3 TRP A 191 4.665 -2.241 7.543 1.00 0.00 H new ATOM 0 HH2 TRP A 191 7.091 -2.599 7.709 1.00 0.00 H new ATOM 629 N TRP A 192 2.070 3.685 5.164 1.00 0.00 N ATOM 630 CA TRP A 192 0.682 3.776 4.733 1.00 0.00 C ATOM 631 C TRP A 192 0.043 2.394 4.678 1.00 0.00 C ATOM 632 O TRP A 192 0.692 1.412 4.327 1.00 0.00 O ATOM 633 CB TRP A 192 0.597 4.439 3.355 1.00 0.00 C ATOM 634 CG TRP A 192 0.932 5.899 3.368 1.00 0.00 C ATOM 635 CD1 TRP A 192 1.423 6.621 4.415 1.00 0.00 C ATOM 636 CD2 TRP A 192 0.800 6.814 2.274 1.00 0.00 C ATOM 637 NE1 TRP A 192 1.605 7.931 4.042 1.00 0.00 N ATOM 638 CE2 TRP A 192 1.231 8.074 2.730 1.00 0.00 C ATOM 639 CE3 TRP A 192 0.361 6.691 0.954 1.00 0.00 C ATOM 640 CZ2 TRP A 192 1.235 9.199 1.913 1.00 0.00 C ATOM 641 CZ3 TRP A 192 0.365 7.810 0.143 1.00 0.00 C ATOM 642 CH2 TRP A 192 0.801 9.051 0.625 1.00 0.00 C ATOM 0 H TRP A 192 2.704 3.303 4.462 1.00 0.00 H new ATOM 0 HA TRP A 192 0.140 4.384 5.458 1.00 0.00 H new ATOM 0 HB2 TRP A 192 1.274 3.926 2.672 1.00 0.00 H new ATOM 0 HB3 TRP A 192 -0.411 4.310 2.961 1.00 0.00 H new ATOM 0 HD1 TRP A 192 1.638 6.221 5.395 1.00 0.00 H new ATOM 0 HE1 TRP A 192 1.960 8.675 4.642 1.00 0.00 H new ATOM 0 HE3 TRP A 192 0.024 5.738 0.574 1.00 0.00 H new ATOM 0 HZ2 TRP A 192 1.569 10.157 2.283 1.00 0.00 H new ATOM 0 HZ3 TRP A 192 0.026 7.726 -0.879 1.00 0.00 H new ATOM 0 HH2 TRP A 192 0.794 9.907 -0.033 1.00 0.00 H new ATOM 653 N GLU A 193 -1.236 2.331 5.020 1.00 0.00 N ATOM 654 CA GLU A 193 -1.968 1.072 5.001 1.00 0.00 C ATOM 655 C GLU A 193 -2.677 0.900 3.664 1.00 0.00 C ATOM 656 O GLU A 193 -3.131 1.877 3.069 1.00 0.00 O ATOM 657 CB GLU A 193 -2.981 1.027 6.145 1.00 0.00 C ATOM 658 CG GLU A 193 -3.460 -0.377 6.481 1.00 0.00 C ATOM 659 CD GLU A 193 -3.216 -0.745 7.933 1.00 0.00 C ATOM 660 OE1 GLU A 193 -3.190 0.170 8.782 1.00 0.00 O ATOM 661 OE2 GLU A 193 -3.053 -1.950 8.221 1.00 0.00 O ATOM 0 H GLU A 193 -1.788 3.137 5.314 1.00 0.00 H new ATOM 0 HA GLU A 193 -1.260 0.254 5.133 1.00 0.00 H new ATOM 0 HB2 GLU A 193 -2.532 1.471 7.034 1.00 0.00 H new ATOM 0 HB3 GLU A 193 -3.842 1.642 5.881 1.00 0.00 H new ATOM 0 HG2 GLU A 193 -4.525 -0.455 6.264 1.00 0.00 H new ATOM 0 HG3 GLU A 193 -2.951 -1.094 5.838 1.00 0.00 H new ATOM 668 N GLY A 194 -2.769 -0.336 3.191 1.00 0.00 N ATOM 669 CA GLY A 194 -3.427 -0.581 1.921 1.00 0.00 C ATOM 670 C GLY A 194 -3.978 -1.986 1.801 1.00 0.00 C ATOM 671 O GLY A 194 -3.525 -2.900 2.491 1.00 0.00 O ATOM 0 H GLY A 194 -2.404 -1.166 3.658 1.00 0.00 H new ATOM 0 HA2 GLY A 194 -4.240 0.134 1.796 1.00 0.00 H new ATOM 0 HA3 GLY A 194 -2.719 -0.404 1.111 1.00 0.00 H new ATOM 675 N GLN A 195 -4.963 -2.155 0.929 1.00 0.00 N ATOM 676 CA GLN A 195 -5.585 -3.453 0.724 1.00 0.00 C ATOM 677 C GLN A 195 -5.455 -3.932 -0.716 1.00 0.00 C ATOM 678 O GLN A 195 -5.696 -3.179 -1.659 1.00 0.00 O ATOM 679 CB GLN A 195 -7.056 -3.392 1.093 1.00 0.00 C ATOM 680 CG GLN A 195 -7.703 -4.763 1.210 1.00 0.00 C ATOM 681 CD GLN A 195 -9.183 -4.692 1.530 1.00 0.00 C ATOM 682 OE1 GLN A 195 -9.677 -3.680 2.025 1.00 0.00 O ATOM 683 NE2 GLN A 195 -9.899 -5.775 1.245 1.00 0.00 N ATOM 0 H GLN A 195 -5.348 -1.407 0.352 1.00 0.00 H new ATOM 0 HA GLN A 195 -5.063 -4.161 1.367 1.00 0.00 H new ATOM 0 HB2 GLN A 195 -7.164 -2.864 2.041 1.00 0.00 H new ATOM 0 HB3 GLN A 195 -7.588 -2.809 0.341 1.00 0.00 H new ATOM 0 HG2 GLN A 195 -7.564 -5.305 0.275 1.00 0.00 H new ATOM 0 HG3 GLN A 195 -7.195 -5.334 1.988 1.00 0.00 H new ATOM 0 HE21 GLN A 195 -9.447 -6.592 0.835 1.00 0.00 H new ATOM 0 HE22 GLN A 195 -10.901 -5.789 1.436 1.00 0.00 H new ATOM 692 N LEU A 196 -5.108 -5.203 -0.871 1.00 0.00 N ATOM 693 CA LEU A 196 -4.987 -5.811 -2.187 1.00 0.00 C ATOM 694 C LEU A 196 -6.314 -6.460 -2.556 1.00 0.00 C ATOM 695 O LEU A 196 -7.356 -6.093 -2.014 1.00 0.00 O ATOM 696 CB LEU A 196 -3.857 -6.851 -2.196 1.00 0.00 C ATOM 697 CG LEU A 196 -2.498 -6.355 -1.698 1.00 0.00 C ATOM 698 CD1 LEU A 196 -1.399 -7.323 -2.104 1.00 0.00 C ATOM 699 CD2 LEU A 196 -2.202 -4.965 -2.240 1.00 0.00 C ATOM 0 H LEU A 196 -4.905 -5.835 -0.096 1.00 0.00 H new ATOM 0 HA LEU A 196 -4.742 -5.044 -2.922 1.00 0.00 H new ATOM 0 HB2 LEU A 196 -4.162 -7.698 -1.581 1.00 0.00 H new ATOM 0 HB3 LEU A 196 -3.737 -7.222 -3.214 1.00 0.00 H new ATOM 0 HG LEU A 196 -2.532 -6.301 -0.610 1.00 0.00 H new ATOM 0 HD11 LEU A 196 -0.439 -6.956 -1.742 1.00 0.00 H new ATOM 0 HD12 LEU A 196 -1.599 -8.303 -1.671 1.00 0.00 H new ATOM 0 HD13 LEU A 196 -1.370 -7.405 -3.190 1.00 0.00 H new ATOM 0 HD21 LEU A 196 -1.231 -4.631 -1.874 1.00 0.00 H new ATOM 0 HD22 LEU A 196 -2.188 -4.995 -3.330 1.00 0.00 H new ATOM 0 HD23 LEU A 196 -2.974 -4.272 -1.905 1.00 0.00 H new ATOM 711 N ASN A 197 -6.282 -7.429 -3.464 1.00 0.00 N ATOM 712 CA ASN A 197 -7.499 -8.122 -3.872 1.00 0.00 C ATOM 713 C ASN A 197 -8.321 -8.535 -2.650 1.00 0.00 C ATOM 714 O ASN A 197 -9.544 -8.645 -2.718 1.00 0.00 O ATOM 715 CB ASN A 197 -7.156 -9.354 -4.712 1.00 0.00 C ATOM 716 CG ASN A 197 -8.251 -9.703 -5.701 1.00 0.00 C ATOM 717 OD1 ASN A 197 -8.957 -10.698 -5.537 1.00 0.00 O ATOM 718 ND2 ASN A 197 -8.397 -8.883 -6.736 1.00 0.00 N ATOM 0 H ASN A 197 -5.433 -7.751 -3.929 1.00 0.00 H new ATOM 0 HA ASN A 197 -8.094 -7.437 -4.476 1.00 0.00 H new ATOM 0 HB2 ASN A 197 -6.226 -9.175 -5.252 1.00 0.00 H new ATOM 0 HB3 ASN A 197 -6.982 -10.204 -4.052 1.00 0.00 H new ATOM 0 HD21 ASN A 197 -9.117 -9.067 -7.435 1.00 0.00 H new ATOM 0 HD22 ASN A 197 -7.789 -8.070 -6.832 1.00 0.00 H new ATOM 725 N ASN A 198 -7.634 -8.752 -1.529 1.00 0.00 N ATOM 726 CA ASN A 198 -8.289 -9.142 -0.285 1.00 0.00 C ATOM 727 C ASN A 198 -7.270 -9.285 0.844 1.00 0.00 C ATOM 728 O ASN A 198 -7.401 -10.157 1.702 1.00 0.00 O ATOM 729 CB ASN A 198 -9.049 -10.456 -0.473 1.00 0.00 C ATOM 730 CG ASN A 198 -8.171 -11.554 -1.042 1.00 0.00 C ATOM 731 OD1 ASN A 198 -7.992 -11.657 -2.255 1.00 0.00 O ATOM 732 ND2 ASN A 198 -7.618 -12.382 -0.163 1.00 0.00 N ATOM 0 H ASN A 198 -6.620 -8.663 -1.459 1.00 0.00 H new ATOM 0 HA ASN A 198 -8.997 -8.358 -0.015 1.00 0.00 H new ATOM 0 HB2 ASN A 198 -9.454 -10.779 0.486 1.00 0.00 H new ATOM 0 HB3 ASN A 198 -9.897 -10.291 -1.138 1.00 0.00 H new ATOM 0 HD21 ASN A 198 -7.017 -13.141 -0.485 1.00 0.00 H new ATOM 0 HD22 ASN A 198 -7.794 -12.259 0.834 1.00 0.00 H new ATOM 739 N ARG A 199 -6.254 -8.424 0.837 1.00 0.00 N ATOM 740 CA ARG A 199 -5.211 -8.461 1.863 1.00 0.00 C ATOM 741 C ARG A 199 -4.882 -7.055 2.359 1.00 0.00 C ATOM 742 O ARG A 199 -4.441 -6.204 1.588 1.00 0.00 O ATOM 743 CB ARG A 199 -3.932 -9.130 1.331 1.00 0.00 C ATOM 744 CG ARG A 199 -4.133 -9.986 0.088 1.00 0.00 C ATOM 745 CD ARG A 199 -3.383 -11.305 0.191 1.00 0.00 C ATOM 746 NE ARG A 199 -3.899 -12.301 -0.744 1.00 0.00 N ATOM 747 CZ ARG A 199 -3.234 -13.401 -1.096 1.00 0.00 C ATOM 748 NH1 ARG A 199 -2.032 -13.647 -0.591 1.00 0.00 N ATOM 749 NH2 ARG A 199 -3.776 -14.256 -1.952 1.00 0.00 N ATOM 0 H ARG A 199 -6.130 -7.694 0.135 1.00 0.00 H new ATOM 0 HA ARG A 199 -5.596 -9.050 2.695 1.00 0.00 H new ATOM 0 HB2 ARG A 199 -3.199 -8.355 1.108 1.00 0.00 H new ATOM 0 HB3 ARG A 199 -3.508 -9.752 2.120 1.00 0.00 H new ATOM 0 HG2 ARG A 199 -5.196 -10.181 -0.052 1.00 0.00 H new ATOM 0 HG3 ARG A 199 -3.790 -9.439 -0.791 1.00 0.00 H new ATOM 0 HD2 ARG A 199 -2.324 -11.137 -0.006 1.00 0.00 H new ATOM 0 HD3 ARG A 199 -3.461 -11.688 1.209 1.00 0.00 H new ATOM 0 HE ARG A 199 -4.821 -12.146 -1.151 1.00 0.00 H new ATOM 0 HH11 ARG A 199 -1.613 -12.993 0.070 1.00 0.00 H new ATOM 0 HH12 ARG A 199 -1.527 -14.490 -0.864 1.00 0.00 H new ATOM 0 HH21 ARG A 199 -4.701 -14.072 -2.340 1.00 0.00 H new ATOM 0 HH22 ARG A 199 -3.268 -15.098 -2.222 1.00 0.00 H new ATOM 763 N ARG A 200 -5.091 -6.822 3.652 1.00 0.00 N ATOM 764 CA ARG A 200 -4.810 -5.521 4.255 1.00 0.00 C ATOM 765 C ARG A 200 -3.482 -5.550 5.005 1.00 0.00 C ATOM 766 O ARG A 200 -3.025 -6.612 5.430 1.00 0.00 O ATOM 767 CB ARG A 200 -5.937 -5.128 5.213 1.00 0.00 C ATOM 768 CG ARG A 200 -7.054 -4.337 4.550 1.00 0.00 C ATOM 769 CD ARG A 200 -8.381 -5.080 4.606 1.00 0.00 C ATOM 770 NE ARG A 200 -8.275 -6.441 4.078 1.00 0.00 N ATOM 771 CZ ARG A 200 -8.163 -7.532 4.836 1.00 0.00 C ATOM 772 NH1 ARG A 200 -8.127 -7.437 6.160 1.00 0.00 N ATOM 773 NH2 ARG A 200 -8.084 -8.725 4.266 1.00 0.00 N ATOM 0 H ARG A 200 -5.454 -7.518 4.304 1.00 0.00 H new ATOM 0 HA ARG A 200 -4.744 -4.782 3.457 1.00 0.00 H new ATOM 0 HB2 ARG A 200 -6.357 -6.031 5.656 1.00 0.00 H new ATOM 0 HB3 ARG A 200 -5.520 -4.537 6.028 1.00 0.00 H new ATOM 0 HG2 ARG A 200 -7.157 -3.370 5.043 1.00 0.00 H new ATOM 0 HG3 ARG A 200 -6.792 -4.138 3.511 1.00 0.00 H new ATOM 0 HD2 ARG A 200 -8.731 -5.119 5.638 1.00 0.00 H new ATOM 0 HD3 ARG A 200 -9.129 -4.528 4.036 1.00 0.00 H new ATOM 0 HE ARG A 200 -8.288 -6.563 3.065 1.00 0.00 H new ATOM 0 HH11 ARG A 200 -8.185 -6.522 6.607 1.00 0.00 H new ATOM 0 HH12 ARG A 200 -8.041 -8.279 6.730 1.00 0.00 H new ATOM 0 HH21 ARG A 200 -8.109 -8.807 3.250 1.00 0.00 H new ATOM 0 HH22 ARG A 200 -7.998 -9.561 4.843 1.00 0.00 H new ATOM 787 N GLY A 201 -2.863 -4.382 5.167 1.00 0.00 N ATOM 788 CA GLY A 201 -1.592 -4.319 5.870 1.00 0.00 C ATOM 789 C GLY A 201 -0.921 -2.963 5.752 1.00 0.00 C ATOM 790 O GLY A 201 -1.250 -2.174 4.866 1.00 0.00 O ATOM 0 H GLY A 201 -3.215 -3.487 4.828 1.00 0.00 H new ATOM 0 HA2 GLY A 201 -1.753 -4.549 6.923 1.00 0.00 H new ATOM 0 HA3 GLY A 201 -0.925 -5.085 5.475 1.00 0.00 H new ATOM 794 N ILE A 202 0.033 -2.696 6.640 1.00 0.00 N ATOM 795 CA ILE A 202 0.762 -1.433 6.621 1.00 0.00 C ATOM 796 C ILE A 202 2.112 -1.605 5.936 1.00 0.00 C ATOM 797 O ILE A 202 2.677 -2.697 5.924 1.00 0.00 O ATOM 798 CB ILE A 202 0.985 -0.877 8.041 1.00 0.00 C ATOM 799 CG1 ILE A 202 1.609 -1.944 8.943 1.00 0.00 C ATOM 800 CG2 ILE A 202 -0.327 -0.379 8.628 1.00 0.00 C ATOM 801 CD1 ILE A 202 2.714 -1.414 9.828 1.00 0.00 C ATOM 0 H ILE A 202 0.318 -3.337 7.380 1.00 0.00 H new ATOM 0 HA ILE A 202 0.152 -0.722 6.064 1.00 0.00 H new ATOM 0 HB ILE A 202 1.675 -0.036 7.979 1.00 0.00 H new ATOM 0 HG12 ILE A 202 0.830 -2.380 9.569 1.00 0.00 H new ATOM 0 HG13 ILE A 202 2.005 -2.747 8.322 1.00 0.00 H new ATOM 0 HG21 ILE A 202 -0.152 0.010 9.631 1.00 0.00 H new ATOM 0 HG22 ILE A 202 -0.731 0.412 7.997 1.00 0.00 H new ATOM 0 HG23 ILE A 202 -1.039 -1.203 8.678 1.00 0.00 H new ATOM 0 HD11 ILE A 202 3.110 -2.224 10.440 1.00 0.00 H new ATOM 0 HD12 ILE A 202 3.511 -1.004 9.208 1.00 0.00 H new ATOM 0 HD13 ILE A 202 2.318 -0.631 10.475 1.00 0.00 H new ATOM 813 N PHE A 203 2.620 -0.523 5.356 1.00 0.00 N ATOM 814 CA PHE A 203 3.900 -0.564 4.661 1.00 0.00 C ATOM 815 C PHE A 203 4.400 0.844 4.353 1.00 0.00 C ATOM 816 O PHE A 203 3.615 1.792 4.313 1.00 0.00 O ATOM 817 CB PHE A 203 3.755 -1.359 3.360 1.00 0.00 C ATOM 818 CG PHE A 203 2.942 -0.645 2.318 1.00 0.00 C ATOM 819 CD1 PHE A 203 3.510 0.342 1.529 1.00 0.00 C ATOM 820 CD2 PHE A 203 1.605 -0.956 2.134 1.00 0.00 C ATOM 821 CE1 PHE A 203 2.760 1.004 0.574 1.00 0.00 C ATOM 822 CE2 PHE A 203 0.850 -0.298 1.183 1.00 0.00 C ATOM 823 CZ PHE A 203 1.427 0.683 0.402 1.00 0.00 C ATOM 0 H PHE A 203 2.166 0.390 5.354 1.00 0.00 H new ATOM 0 HA PHE A 203 4.628 -1.051 5.309 1.00 0.00 H new ATOM 0 HB2 PHE A 203 4.746 -1.569 2.958 1.00 0.00 H new ATOM 0 HB3 PHE A 203 3.290 -2.320 3.579 1.00 0.00 H new ATOM 0 HD1 PHE A 203 4.551 0.598 1.661 1.00 0.00 H new ATOM 0 HD2 PHE A 203 1.147 -1.723 2.742 1.00 0.00 H new ATOM 0 HE1 PHE A 203 3.215 1.770 -0.036 1.00 0.00 H new ATOM 0 HE2 PHE A 203 -0.192 -0.551 1.050 1.00 0.00 H new ATOM 0 HZ PHE A 203 0.838 1.199 -0.342 1.00 0.00 H new ATOM 833 N PRO A 204 5.712 1.001 4.111 1.00 0.00 N ATOM 834 CA PRO A 204 6.294 2.304 3.787 1.00 0.00 C ATOM 835 C PRO A 204 5.835 2.790 2.419 1.00 0.00 C ATOM 836 O PRO A 204 6.205 2.219 1.393 1.00 0.00 O ATOM 837 CB PRO A 204 7.800 2.038 3.790 1.00 0.00 C ATOM 838 CG PRO A 204 7.932 0.582 3.507 1.00 0.00 C ATOM 839 CD PRO A 204 6.724 -0.073 4.117 1.00 0.00 C ATOM 0 HA PRO A 204 5.996 3.081 4.491 1.00 0.00 H new ATOM 0 HB2 PRO A 204 8.308 2.635 3.033 1.00 0.00 H new ATOM 0 HB3 PRO A 204 8.245 2.296 4.751 1.00 0.00 H new ATOM 0 HG2 PRO A 204 7.976 0.396 2.434 1.00 0.00 H new ATOM 0 HG3 PRO A 204 8.851 0.183 3.937 1.00 0.00 H new ATOM 0 HD2 PRO A 204 6.398 -0.935 3.535 1.00 0.00 H new ATOM 0 HD3 PRO A 204 6.927 -0.428 5.127 1.00 0.00 H new ATOM 847 N SER A 205 5.018 3.840 2.406 1.00 0.00 N ATOM 848 CA SER A 205 4.503 4.387 1.157 1.00 0.00 C ATOM 849 C SER A 205 5.636 4.747 0.204 1.00 0.00 C ATOM 850 O SER A 205 5.443 4.804 -1.008 1.00 0.00 O ATOM 851 CB SER A 205 3.633 5.607 1.433 1.00 0.00 C ATOM 852 OG SER A 205 4.170 6.395 2.483 1.00 0.00 O ATOM 0 H SER A 205 4.700 4.327 3.244 1.00 0.00 H new ATOM 0 HA SER A 205 3.894 3.620 0.679 1.00 0.00 H new ATOM 0 HB2 SER A 205 3.550 6.210 0.529 1.00 0.00 H new ATOM 0 HB3 SER A 205 2.625 5.286 1.695 1.00 0.00 H new ATOM 0 HG SER A 205 3.447 6.681 3.080 1.00 0.00 H new ATOM 858 N ASN A 206 6.823 4.978 0.756 1.00 0.00 N ATOM 859 CA ASN A 206 7.981 5.315 -0.060 1.00 0.00 C ATOM 860 C ASN A 206 8.306 4.178 -1.028 1.00 0.00 C ATOM 861 O ASN A 206 9.031 4.370 -2.005 1.00 0.00 O ATOM 862 CB ASN A 206 9.190 5.606 0.832 1.00 0.00 C ATOM 863 CG ASN A 206 9.696 7.020 0.680 1.00 0.00 C ATOM 864 OD1 ASN A 206 9.154 7.814 -0.089 1.00 0.00 O ATOM 865 ND2 ASN A 206 10.744 7.342 1.421 1.00 0.00 N ATOM 0 H ASN A 206 7.006 4.938 1.759 1.00 0.00 H new ATOM 0 HA ASN A 206 7.745 6.208 -0.639 1.00 0.00 H new ATOM 0 HB2 ASN A 206 8.919 5.431 1.873 1.00 0.00 H new ATOM 0 HB3 ASN A 206 9.992 4.909 0.590 1.00 0.00 H new ATOM 0 HD21 ASN A 206 11.136 8.282 1.369 1.00 0.00 H new ATOM 0 HD22 ASN A 206 11.160 6.650 2.044 1.00 0.00 H new ATOM 872 N TYR A 207 7.762 2.992 -0.753 1.00 0.00 N ATOM 873 CA TYR A 207 7.992 1.827 -1.598 1.00 0.00 C ATOM 874 C TYR A 207 6.890 1.675 -2.643 1.00 0.00 C ATOM 875 O TYR A 207 6.716 0.598 -3.213 1.00 0.00 O ATOM 876 CB TYR A 207 8.052 0.568 -0.734 1.00 0.00 C ATOM 877 CG TYR A 207 9.455 0.042 -0.523 1.00 0.00 C ATOM 878 CD1 TYR A 207 10.036 -0.829 -1.437 1.00 0.00 C ATOM 879 CD2 TYR A 207 10.196 0.416 0.591 1.00 0.00 C ATOM 880 CE1 TYR A 207 11.316 -1.312 -1.247 1.00 0.00 C ATOM 881 CE2 TYR A 207 11.478 -0.062 0.787 1.00 0.00 C ATOM 882 CZ TYR A 207 12.034 -0.926 -0.133 1.00 0.00 C ATOM 883 OH TYR A 207 13.309 -1.402 0.058 1.00 0.00 O ATOM 0 H TYR A 207 7.159 2.816 0.050 1.00 0.00 H new ATOM 0 HA TYR A 207 8.940 1.967 -2.117 1.00 0.00 H new ATOM 0 HB2 TYR A 207 7.604 0.782 0.236 1.00 0.00 H new ATOM 0 HB3 TYR A 207 7.448 -0.211 -1.199 1.00 0.00 H new ATOM 0 HD1 TYR A 207 9.478 -1.133 -2.310 1.00 0.00 H new ATOM 0 HD2 TYR A 207 9.764 1.091 1.315 1.00 0.00 H new ATOM 0 HE1 TYR A 207 11.753 -1.988 -1.967 1.00 0.00 H new ATOM 0 HE2 TYR A 207 12.042 0.240 1.657 1.00 0.00 H new ATOM 0 HH TYR A 207 13.675 -1.033 0.889 1.00 0.00 H new ATOM 893 N VAL A 208 6.141 2.744 -2.885 1.00 0.00 N ATOM 894 CA VAL A 208 5.056 2.696 -3.857 1.00 0.00 C ATOM 895 C VAL A 208 4.836 4.055 -4.519 1.00 0.00 C ATOM 896 O VAL A 208 5.648 4.968 -4.375 1.00 0.00 O ATOM 897 CB VAL A 208 3.740 2.218 -3.199 1.00 0.00 C ATOM 898 CG1 VAL A 208 4.001 1.046 -2.267 1.00 0.00 C ATOM 899 CG2 VAL A 208 3.069 3.351 -2.440 1.00 0.00 C ATOM 0 H VAL A 208 6.263 3.647 -2.426 1.00 0.00 H new ATOM 0 HA VAL A 208 5.348 1.980 -4.626 1.00 0.00 H new ATOM 0 HB VAL A 208 3.069 1.891 -3.993 1.00 0.00 H new ATOM 0 HG11 VAL A 208 3.063 0.725 -1.814 1.00 0.00 H new ATOM 0 HG12 VAL A 208 4.432 0.220 -2.833 1.00 0.00 H new ATOM 0 HG13 VAL A 208 4.696 1.351 -1.484 1.00 0.00 H new ATOM 0 HG21 VAL A 208 2.146 2.989 -1.987 1.00 0.00 H new ATOM 0 HG22 VAL A 208 3.739 3.713 -1.660 1.00 0.00 H new ATOM 0 HG23 VAL A 208 2.840 4.165 -3.128 1.00 0.00 H new ATOM 909 N ALA A 209 3.726 4.177 -5.241 1.00 0.00 N ATOM 910 CA ALA A 209 3.389 5.418 -5.926 1.00 0.00 C ATOM 911 C ALA A 209 1.926 5.412 -6.371 1.00 0.00 C ATOM 912 O ALA A 209 1.500 4.520 -7.103 1.00 0.00 O ATOM 913 CB ALA A 209 4.305 5.626 -7.122 1.00 0.00 C ATOM 0 H ALA A 209 3.044 3.429 -5.366 1.00 0.00 H new ATOM 0 HA ALA A 209 3.530 6.244 -5.229 1.00 0.00 H new ATOM 0 HB1 ALA A 209 4.042 6.557 -7.624 1.00 0.00 H new ATOM 0 HB2 ALA A 209 5.340 5.676 -6.783 1.00 0.00 H new ATOM 0 HB3 ALA A 209 4.191 4.794 -7.817 1.00 0.00 H new ATOM 919 N PRO A 210 1.131 6.407 -5.933 1.00 0.00 N ATOM 920 CA PRO A 210 -0.287 6.500 -6.293 1.00 0.00 C ATOM 921 C PRO A 210 -0.528 6.285 -7.785 1.00 0.00 C ATOM 922 O PRO A 210 0.106 6.920 -8.626 1.00 0.00 O ATOM 923 CB PRO A 210 -0.653 7.928 -5.888 1.00 0.00 C ATOM 924 CG PRO A 210 0.256 8.227 -4.748 1.00 0.00 C ATOM 925 CD PRO A 210 1.549 7.517 -5.052 1.00 0.00 C ATOM 0 HA PRO A 210 -0.886 5.733 -5.802 1.00 0.00 H new ATOM 0 HB2 PRO A 210 -0.503 8.627 -6.711 1.00 0.00 H new ATOM 0 HB3 PRO A 210 -1.700 8.003 -5.593 1.00 0.00 H new ATOM 0 HG2 PRO A 210 0.415 9.301 -4.647 1.00 0.00 H new ATOM 0 HG3 PRO A 210 -0.170 7.877 -3.807 1.00 0.00 H new ATOM 0 HD2 PRO A 210 2.263 8.176 -5.547 1.00 0.00 H new ATOM 0 HD3 PRO A 210 2.029 7.151 -4.145 1.00 0.00 H new ATOM 933 N TYR A 211 -1.449 5.381 -8.101 1.00 0.00 N ATOM 934 CA TYR A 211 -1.779 5.075 -9.489 1.00 0.00 C ATOM 935 C TYR A 211 -2.987 5.879 -9.953 1.00 0.00 C ATOM 936 O TYR A 211 -2.869 6.761 -10.805 1.00 0.00 O ATOM 937 CB TYR A 211 -2.054 3.578 -9.646 1.00 0.00 C ATOM 938 CG TYR A 211 -2.398 3.169 -11.060 1.00 0.00 C ATOM 939 CD1 TYR A 211 -1.475 3.308 -12.089 1.00 0.00 C ATOM 940 CD2 TYR A 211 -3.647 2.641 -11.366 1.00 0.00 C ATOM 941 CE1 TYR A 211 -1.787 2.933 -13.383 1.00 0.00 C ATOM 942 CE2 TYR A 211 -3.965 2.265 -12.658 1.00 0.00 C ATOM 943 CZ TYR A 211 -3.033 2.412 -13.661 1.00 0.00 C ATOM 944 OH TYR A 211 -3.344 2.038 -14.949 1.00 0.00 O ATOM 0 H TYR A 211 -1.981 4.847 -7.414 1.00 0.00 H new ATOM 0 HA TYR A 211 -0.927 5.350 -10.110 1.00 0.00 H new ATOM 0 HB2 TYR A 211 -1.177 3.020 -9.319 1.00 0.00 H new ATOM 0 HB3 TYR A 211 -2.875 3.297 -8.986 1.00 0.00 H new ATOM 0 HD1 TYR A 211 -0.498 3.716 -11.875 1.00 0.00 H new ATOM 0 HD2 TYR A 211 -4.381 2.523 -10.582 1.00 0.00 H new ATOM 0 HE1 TYR A 211 -1.058 3.048 -14.172 1.00 0.00 H new ATOM 0 HE2 TYR A 211 -4.940 1.858 -12.880 1.00 0.00 H new ATOM 0 HH TYR A 211 -4.259 1.689 -14.976 1.00 0.00 H new ATOM 954 N ASN A 212 -4.150 5.571 -9.390 1.00 0.00 N ATOM 955 CA ASN A 212 -5.380 6.262 -9.746 1.00 0.00 C ATOM 956 C ASN A 212 -5.264 7.760 -9.478 1.00 0.00 C ATOM 957 O ASN A 212 -5.865 8.575 -10.177 1.00 0.00 O ATOM 958 CB ASN A 212 -6.554 5.678 -8.957 1.00 0.00 C ATOM 959 CG ASN A 212 -6.414 5.893 -7.463 1.00 0.00 C ATOM 960 OD1 ASN A 212 -5.310 5.865 -6.921 1.00 0.00 O ATOM 961 ND2 ASN A 212 -7.538 6.108 -6.789 1.00 0.00 N ATOM 0 H ASN A 212 -4.265 4.845 -8.683 1.00 0.00 H new ATOM 0 HA ASN A 212 -5.556 6.120 -10.812 1.00 0.00 H new ATOM 0 HB2 ASN A 212 -7.482 6.135 -9.301 1.00 0.00 H new ATOM 0 HB3 ASN A 212 -6.630 4.610 -9.162 1.00 0.00 H new ATOM 0 HD21 ASN A 212 -7.507 6.258 -5.781 1.00 0.00 H new ATOM 0 HD22 ASN A 212 -8.432 6.123 -7.280 1.00 0.00 H new ATOM 968 N SER A 213 -4.486 8.114 -8.460 1.00 0.00 N ATOM 969 CA SER A 213 -4.289 9.514 -8.100 1.00 0.00 C ATOM 970 C SER A 213 -5.618 10.184 -7.767 1.00 0.00 C ATOM 971 O SER A 213 -6.681 9.574 -7.887 1.00 0.00 O ATOM 972 CB SER A 213 -3.595 10.264 -9.237 1.00 0.00 C ATOM 973 OG SER A 213 -4.524 10.666 -10.227 1.00 0.00 O ATOM 0 H SER A 213 -3.982 7.452 -7.870 1.00 0.00 H new ATOM 0 HA SER A 213 -3.655 9.548 -7.214 1.00 0.00 H new ATOM 0 HB2 SER A 213 -3.082 11.140 -8.839 1.00 0.00 H new ATOM 0 HB3 SER A 213 -2.834 9.626 -9.686 1.00 0.00 H new ATOM 0 HG SER A 213 -4.931 9.873 -10.635 1.00 0.00 H new ATOM 979 N ASN A 214 -5.552 11.445 -7.350 1.00 0.00 N ATOM 980 CA ASN A 214 -6.750 12.199 -7.003 1.00 0.00 C ATOM 981 C ASN A 214 -7.486 12.660 -8.255 1.00 0.00 C ATOM 982 O ASN A 214 -8.496 13.383 -8.117 1.00 0.00 O ATOM 983 CB ASN A 214 -6.385 13.408 -6.138 1.00 0.00 C ATOM 984 CG ASN A 214 -7.429 13.695 -5.076 1.00 0.00 C ATOM 985 OD1 ASN A 214 -8.600 13.914 -5.382 1.00 0.00 O ATOM 986 ND2 ASN A 214 -7.004 13.696 -3.816 1.00 0.00 N ATOM 987 OXT ASN A 214 -7.048 12.295 -9.367 1.00 0.00 O ATOM 0 H ASN A 214 -4.681 11.965 -7.245 1.00 0.00 H new ATOM 0 HA ASN A 214 -7.410 11.542 -6.437 1.00 0.00 H new ATOM 0 HB2 ASN A 214 -5.422 13.231 -5.659 1.00 0.00 H new ATOM 0 HB3 ASN A 214 -6.268 14.285 -6.775 1.00 0.00 H new ATOM 0 HD21 ASN A 214 -7.659 13.884 -3.057 1.00 0.00 H new ATOM 0 HD22 ASN A 214 -6.023 13.509 -3.609 1.00 0.00 H new TER 994 ASN A 214