USER MOD reduce.3.24.130724 H: found=0, std=0, add=883, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 883 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 43 THR OG1 : rot 45:sc=-0.00446 USER MOD Set 1.2: A 46 THR OG1 : rot 104:sc= 0.261 USER MOD Set 2.1: A 13 GLN : amide:sc= -1.33 K(o=-1.5,f=-7.3!) USER MOD Set 2.2: A 54 HIS :FLIP no HE2:sc= -0.167 F(o=-2.3,f=-1.5) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -123:sc= 0.0903 (180deg=-0.0385) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 3 LYS NZ :NH3+ -135:sc= -1.37 (180deg=-3.79!) USER MOD Single : A 4 ASN : amide:sc= 0.0179 K(o=0.018,f=-1.7) USER MOD Single : A 5 THR OG1 : rot 180:sc= 0.0867 USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 18 MET CE :methyl -164:sc= -1.34 (180deg=-1.85) USER MOD Single : A 22 SER OG : rot 80:sc= 0.229 USER MOD Single : A 23 GLN :FLIP amide:sc= -0.333 F(o=-4.1!,f=-0.33) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 180:sc= -0.817 USER MOD Single : A 29 GLN : amide:sc= -0.463 K(o=-0.46,f=-4.2!) USER MOD Single : A 32 THR OG1 : rot -14:sc= 0.759 USER MOD Single : A 34 CYS SG : rot -88:sc= 1.3 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 CYS SG : rot -170:sc= -0.302 USER MOD Single : A 53 GLN : amide:sc= -0.202 X(o=-0.2,f=-0.37) USER MOD Single : A 58 THR OG1 : rot 75:sc= 1.24 USER MOD Single : A 66 THR OG1 : rot -40:sc= 0.127 USER MOD Single : A 67 THR OG1 : rot 180:sc= 0.0734 USER MOD Single : A 71 GLN : amide:sc= 0 K(o=0,f=-0.65) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 ASN : amide:sc= 0.801 K(o=0.8,f=-0.00065) USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 87 ASN : amide:sc= -0.146 K(o=-0.15,f=-2.3!) USER MOD Single : A 94 SER OG : rot -108:sc= 0.923 USER MOD Single : A 96 TYR OH : rot 180:sc= 0 USER MOD Single : A 99 LYS NZ :NH3+ -170:sc=-0.00671 (180deg=-0.121) USER MOD Single : A 107 LYS NZ :NH3+ -166:sc= 0 (180deg=-0.166) USER MOD Single : A 108 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.048) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 11.142 -27.208 12.628 1.00 0.00 N ATOM 2 CA MET A 1 10.207 -26.351 13.397 1.00 0.00 C ATOM 3 C MET A 1 10.860 -25.009 13.699 1.00 0.00 C ATOM 4 O MET A 1 12.059 -24.835 13.478 1.00 0.00 O ATOM 5 CB MET A 1 9.785 -27.039 14.701 1.00 0.00 C ATOM 6 CG MET A 1 8.970 -28.303 14.484 1.00 0.00 C ATOM 7 SD MET A 1 7.458 -28.003 13.549 1.00 0.00 S ATOM 8 CE MET A 1 6.800 -29.664 13.449 1.00 0.00 C ATOM 0 H1 MET A 1 10.695 -27.493 11.733 1.00 0.00 H new ATOM 0 H2 MET A 1 12.013 -26.677 12.426 1.00 0.00 H new ATOM 0 H3 MET A 1 11.374 -28.055 13.185 1.00 0.00 H new ATOM 0 HA MET A 1 9.314 -26.186 12.793 1.00 0.00 H new ATOM 0 HB2 MET A 1 10.677 -27.286 15.277 1.00 0.00 H new ATOM 0 HB3 MET A 1 9.202 -26.339 15.300 1.00 0.00 H new ATOM 0 HG2 MET A 1 9.579 -29.037 13.957 1.00 0.00 H new ATOM 0 HG3 MET A 1 8.715 -28.736 15.451 1.00 0.00 H new ATOM 0 HE1 MET A 1 5.860 -29.650 12.897 1.00 0.00 H new ATOM 0 HE2 MET A 1 7.513 -30.308 12.934 1.00 0.00 H new ATOM 0 HE3 MET A 1 6.625 -30.047 14.454 1.00 0.00 H new ATOM 20 N THR A 2 10.085 -24.060 14.199 1.00 0.00 N ATOM 21 CA THR A 2 10.611 -22.741 14.505 1.00 0.00 C ATOM 22 C THR A 2 11.349 -22.747 15.847 1.00 0.00 C ATOM 23 O THR A 2 10.820 -22.311 16.867 1.00 0.00 O ATOM 24 CB THR A 2 9.490 -21.686 14.541 1.00 0.00 C ATOM 25 OG1 THR A 2 8.629 -21.857 13.405 1.00 0.00 O ATOM 26 CG2 THR A 2 10.068 -20.277 14.526 1.00 0.00 C ATOM 0 H THR A 2 9.092 -24.179 14.401 1.00 0.00 H new ATOM 0 HA THR A 2 11.311 -22.480 13.712 1.00 0.00 H new ATOM 0 HB THR A 2 8.923 -21.821 15.462 1.00 0.00 H new ATOM 0 HG1 THR A 2 7.916 -21.186 13.431 1.00 0.00 H new ATOM 0 HG21 THR A 2 9.256 -19.550 14.552 1.00 0.00 H new ATOM 0 HG22 THR A 2 10.708 -20.137 15.397 1.00 0.00 H new ATOM 0 HG23 THR A 2 10.654 -20.134 13.618 1.00 0.00 H new ATOM 34 N LYS A 3 12.563 -23.280 15.840 1.00 0.00 N ATOM 35 CA LYS A 3 13.380 -23.337 17.048 1.00 0.00 C ATOM 36 C LYS A 3 14.574 -22.402 16.931 1.00 0.00 C ATOM 37 O LYS A 3 15.470 -22.413 17.772 1.00 0.00 O ATOM 38 CB LYS A 3 13.864 -24.766 17.305 1.00 0.00 C ATOM 39 CG LYS A 3 12.744 -25.753 17.584 1.00 0.00 C ATOM 40 CD LYS A 3 13.258 -27.179 17.753 1.00 0.00 C ATOM 41 CE LYS A 3 14.010 -27.384 19.067 1.00 0.00 C ATOM 42 NZ LYS A 3 15.367 -26.767 19.067 1.00 0.00 N ATOM 0 H LYS A 3 13.005 -23.679 15.012 1.00 0.00 H new ATOM 0 HA LYS A 3 12.763 -23.018 17.888 1.00 0.00 H new ATOM 0 HB2 LYS A 3 14.430 -25.109 16.439 1.00 0.00 H new ATOM 0 HB3 LYS A 3 14.550 -24.760 18.152 1.00 0.00 H new ATOM 0 HG2 LYS A 3 12.213 -25.451 18.487 1.00 0.00 H new ATOM 0 HG3 LYS A 3 12.024 -25.723 16.766 1.00 0.00 H new ATOM 0 HD2 LYS A 3 12.417 -27.871 17.709 1.00 0.00 H new ATOM 0 HD3 LYS A 3 13.917 -27.424 16.920 1.00 0.00 H new ATOM 0 HE2 LYS A 3 13.425 -26.960 19.883 1.00 0.00 H new ATOM 0 HE3 LYS A 3 14.103 -28.452 19.262 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 16.053 -27.437 19.470 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 15.642 -26.534 18.092 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 15.354 -25.899 19.640 1.00 0.00 H new ATOM 56 N ASN A 4 14.581 -21.600 15.880 1.00 0.00 N ATOM 57 CA ASN A 4 15.651 -20.640 15.659 1.00 0.00 C ATOM 58 C ASN A 4 15.176 -19.248 16.054 1.00 0.00 C ATOM 59 O ASN A 4 13.980 -18.956 15.989 1.00 0.00 O ATOM 60 CB ASN A 4 16.094 -20.661 14.192 1.00 0.00 C ATOM 61 CG ASN A 4 17.334 -19.820 13.939 1.00 0.00 C ATOM 62 OD1 ASN A 4 18.182 -19.655 14.816 1.00 0.00 O ATOM 63 ND2 ASN A 4 17.456 -19.289 12.734 1.00 0.00 N ATOM 0 H ASN A 4 13.855 -21.594 15.163 1.00 0.00 H new ATOM 0 HA ASN A 4 16.508 -20.911 16.276 1.00 0.00 H new ATOM 0 HB2 ASN A 4 16.291 -21.690 13.891 1.00 0.00 H new ATOM 0 HB3 ASN A 4 15.279 -20.297 13.566 1.00 0.00 H new ATOM 0 HD21 ASN A 4 18.273 -18.722 12.507 1.00 0.00 H new ATOM 0 HD22 ASN A 4 16.733 -19.447 12.032 1.00 0.00 H new ATOM 70 N THR A 5 16.102 -18.399 16.468 1.00 0.00 N ATOM 71 CA THR A 5 15.769 -17.058 16.914 1.00 0.00 C ATOM 72 C THR A 5 15.379 -16.159 15.742 1.00 0.00 C ATOM 73 O THR A 5 15.937 -16.271 14.646 1.00 0.00 O ATOM 74 CB THR A 5 16.946 -16.434 17.689 1.00 0.00 C ATOM 75 OG1 THR A 5 18.191 -16.900 17.148 1.00 0.00 O ATOM 76 CG2 THR A 5 16.866 -16.779 19.166 1.00 0.00 C ATOM 0 H THR A 5 17.098 -18.618 16.504 1.00 0.00 H new ATOM 0 HA THR A 5 14.910 -17.139 17.580 1.00 0.00 H new ATOM 0 HB THR A 5 16.888 -15.351 17.584 1.00 0.00 H new ATOM 0 HG1 THR A 5 18.934 -16.498 17.644 1.00 0.00 H new ATOM 0 HG21 THR A 5 17.707 -16.327 19.691 1.00 0.00 H new ATOM 0 HG22 THR A 5 15.933 -16.396 19.579 1.00 0.00 H new ATOM 0 HG23 THR A 5 16.900 -17.861 19.289 1.00 0.00 H new ATOM 84 N ARG A 6 14.400 -15.289 15.971 1.00 0.00 N ATOM 85 CA ARG A 6 13.948 -14.354 14.950 1.00 0.00 C ATOM 86 C ARG A 6 13.498 -13.048 15.591 1.00 0.00 C ATOM 87 O ARG A 6 12.982 -13.038 16.710 1.00 0.00 O ATOM 88 CB ARG A 6 12.813 -14.949 14.091 1.00 0.00 C ATOM 89 CG ARG A 6 11.573 -15.387 14.870 1.00 0.00 C ATOM 90 CD ARG A 6 11.786 -16.720 15.574 1.00 0.00 C ATOM 91 NE ARG A 6 10.600 -17.159 16.306 1.00 0.00 N ATOM 92 CZ ARG A 6 10.605 -18.124 17.226 1.00 0.00 C ATOM 93 NH1 ARG A 6 11.729 -18.776 17.514 1.00 0.00 N ATOM 94 NH2 ARG A 6 9.475 -18.448 17.840 1.00 0.00 N ATOM 0 H ARG A 6 13.904 -15.213 16.859 1.00 0.00 H new ATOM 0 HA ARG A 6 14.791 -14.155 14.289 1.00 0.00 H new ATOM 0 HB2 ARG A 6 12.514 -14.209 13.348 1.00 0.00 H new ATOM 0 HB3 ARG A 6 13.203 -15.808 13.546 1.00 0.00 H new ATOM 0 HG2 ARG A 6 11.319 -14.624 15.606 1.00 0.00 H new ATOM 0 HG3 ARG A 6 10.726 -15.468 14.189 1.00 0.00 H new ATOM 0 HD2 ARG A 6 12.056 -17.477 14.838 1.00 0.00 H new ATOM 0 HD3 ARG A 6 12.625 -16.633 16.265 1.00 0.00 H new ATOM 0 HE ARG A 6 9.713 -16.699 16.100 1.00 0.00 H new ATOM 0 HH11 ARG A 6 12.595 -18.539 17.030 1.00 0.00 H new ATOM 0 HH12 ARG A 6 11.725 -19.513 18.219 1.00 0.00 H new ATOM 0 HH21 ARG A 6 8.610 -17.960 17.607 1.00 0.00 H new ATOM 0 HH22 ARG A 6 9.471 -19.185 18.545 1.00 0.00 H new ATOM 108 N PHE A 7 13.705 -11.952 14.880 1.00 0.00 N ATOM 109 CA PHE A 7 13.365 -10.635 15.391 1.00 0.00 C ATOM 110 C PHE A 7 12.104 -10.106 14.723 1.00 0.00 C ATOM 111 O PHE A 7 11.907 -10.275 13.517 1.00 0.00 O ATOM 112 CB PHE A 7 14.529 -9.659 15.188 1.00 0.00 C ATOM 113 CG PHE A 7 15.764 -10.030 15.961 1.00 0.00 C ATOM 114 CD1 PHE A 7 15.926 -9.612 17.270 1.00 0.00 C ATOM 115 CD2 PHE A 7 16.759 -10.799 15.377 1.00 0.00 C ATOM 116 CE1 PHE A 7 17.059 -9.952 17.984 1.00 0.00 C ATOM 117 CE2 PHE A 7 17.894 -11.142 16.086 1.00 0.00 C ATOM 118 CZ PHE A 7 18.045 -10.719 17.391 1.00 0.00 C ATOM 0 H PHE A 7 14.109 -11.949 13.943 1.00 0.00 H new ATOM 0 HA PHE A 7 13.174 -10.725 16.460 1.00 0.00 H new ATOM 0 HB2 PHE A 7 14.774 -9.614 14.127 1.00 0.00 H new ATOM 0 HB3 PHE A 7 14.211 -8.660 15.485 1.00 0.00 H new ATOM 0 HD1 PHE A 7 15.159 -9.014 17.739 1.00 0.00 H new ATOM 0 HD2 PHE A 7 16.645 -11.134 14.356 1.00 0.00 H new ATOM 0 HE1 PHE A 7 17.174 -9.619 19.005 1.00 0.00 H new ATOM 0 HE2 PHE A 7 18.662 -11.741 15.619 1.00 0.00 H new ATOM 0 HZ PHE A 7 18.931 -10.986 17.948 1.00 0.00 H new ATOM 128 N SER A 8 11.254 -9.480 15.521 1.00 0.00 N ATOM 129 CA SER A 8 10.009 -8.913 15.035 1.00 0.00 C ATOM 130 C SER A 8 10.286 -7.747 14.083 1.00 0.00 C ATOM 131 O SER A 8 11.307 -7.066 14.215 1.00 0.00 O ATOM 132 CB SER A 8 9.165 -8.451 16.225 1.00 0.00 C ATOM 133 OG SER A 8 9.013 -9.499 17.170 1.00 0.00 O ATOM 0 H SER A 8 11.408 -9.351 16.521 1.00 0.00 H new ATOM 0 HA SER A 8 9.459 -9.674 14.481 1.00 0.00 H new ATOM 0 HB2 SER A 8 9.638 -7.592 16.701 1.00 0.00 H new ATOM 0 HB3 SER A 8 8.185 -8.124 15.877 1.00 0.00 H new ATOM 0 HG SER A 8 8.472 -9.184 17.924 1.00 0.00 H new ATOM 139 N PRO A 9 9.380 -7.505 13.114 1.00 0.00 N ATOM 140 CA PRO A 9 9.544 -6.456 12.090 1.00 0.00 C ATOM 141 C PRO A 9 9.924 -5.092 12.666 1.00 0.00 C ATOM 142 O PRO A 9 10.890 -4.470 12.226 1.00 0.00 O ATOM 143 CB PRO A 9 8.163 -6.387 11.437 1.00 0.00 C ATOM 144 CG PRO A 9 7.590 -7.748 11.618 1.00 0.00 C ATOM 145 CD PRO A 9 8.116 -8.249 12.935 1.00 0.00 C ATOM 0 HA PRO A 9 10.358 -6.696 11.406 1.00 0.00 H new ATOM 0 HB2 PRO A 9 7.539 -5.629 11.910 1.00 0.00 H new ATOM 0 HB3 PRO A 9 8.237 -6.126 10.381 1.00 0.00 H new ATOM 0 HG2 PRO A 9 6.500 -7.715 11.620 1.00 0.00 H new ATOM 0 HG3 PRO A 9 7.887 -8.408 10.803 1.00 0.00 H new ATOM 0 HD2 PRO A 9 7.416 -8.051 13.747 1.00 0.00 H new ATOM 0 HD3 PRO A 9 8.285 -9.326 12.915 1.00 0.00 H new ATOM 153 N GLU A 10 9.173 -4.640 13.662 1.00 0.00 N ATOM 154 CA GLU A 10 9.389 -3.324 14.251 1.00 0.00 C ATOM 155 C GLU A 10 10.720 -3.275 15.000 1.00 0.00 C ATOM 156 O GLU A 10 11.365 -2.227 15.078 1.00 0.00 O ATOM 157 CB GLU A 10 8.231 -2.981 15.187 1.00 0.00 C ATOM 158 CG GLU A 10 8.290 -1.582 15.769 1.00 0.00 C ATOM 159 CD GLU A 10 7.067 -1.268 16.597 1.00 0.00 C ATOM 160 OE1 GLU A 10 7.049 -1.616 17.795 1.00 0.00 O ATOM 161 OE2 GLU A 10 6.100 -0.697 16.046 1.00 0.00 O ATOM 0 H GLU A 10 8.406 -5.167 14.080 1.00 0.00 H new ATOM 0 HA GLU A 10 9.429 -2.584 13.451 1.00 0.00 H new ATOM 0 HB2 GLU A 10 7.294 -3.096 14.643 1.00 0.00 H new ATOM 0 HB3 GLU A 10 8.215 -3.701 16.005 1.00 0.00 H new ATOM 0 HG2 GLU A 10 9.183 -1.482 16.387 1.00 0.00 H new ATOM 0 HG3 GLU A 10 8.379 -0.856 14.961 1.00 0.00 H new ATOM 168 N VAL A 11 11.134 -4.414 15.537 1.00 0.00 N ATOM 169 CA VAL A 11 12.421 -4.514 16.212 1.00 0.00 C ATOM 170 C VAL A 11 13.546 -4.411 15.188 1.00 0.00 C ATOM 171 O VAL A 11 14.561 -3.756 15.423 1.00 0.00 O ATOM 172 CB VAL A 11 12.551 -5.839 16.996 1.00 0.00 C ATOM 173 CG1 VAL A 11 13.885 -5.914 17.721 1.00 0.00 C ATOM 174 CG2 VAL A 11 11.399 -5.996 17.978 1.00 0.00 C ATOM 0 H VAL A 11 10.598 -5.282 15.519 1.00 0.00 H new ATOM 0 HA VAL A 11 12.491 -3.693 16.926 1.00 0.00 H new ATOM 0 HB VAL A 11 12.509 -6.660 16.280 1.00 0.00 H new ATOM 0 HG11 VAL A 11 13.951 -6.856 18.265 1.00 0.00 H new ATOM 0 HG12 VAL A 11 14.697 -5.856 16.996 1.00 0.00 H new ATOM 0 HG13 VAL A 11 13.965 -5.084 18.423 1.00 0.00 H new ATOM 0 HG21 VAL A 11 11.509 -6.935 18.520 1.00 0.00 H new ATOM 0 HG22 VAL A 11 11.407 -5.166 18.684 1.00 0.00 H new ATOM 0 HG23 VAL A 11 10.455 -6.000 17.434 1.00 0.00 H new ATOM 184 N ARG A 12 13.336 -5.050 14.044 1.00 0.00 N ATOM 185 CA ARG A 12 14.279 -5.000 12.936 1.00 0.00 C ATOM 186 C ARG A 12 14.444 -3.561 12.451 1.00 0.00 C ATOM 187 O ARG A 12 15.552 -3.122 12.147 1.00 0.00 O ATOM 188 CB ARG A 12 13.780 -5.894 11.800 1.00 0.00 C ATOM 189 CG ARG A 12 14.759 -6.055 10.646 1.00 0.00 C ATOM 190 CD ARG A 12 14.153 -6.896 9.535 1.00 0.00 C ATOM 191 NE ARG A 12 15.108 -7.188 8.467 1.00 0.00 N ATOM 192 CZ ARG A 12 14.792 -7.205 7.168 1.00 0.00 C ATOM 193 NH1 ARG A 12 13.570 -6.867 6.769 1.00 0.00 N ATOM 194 NH2 ARG A 12 15.707 -7.547 6.265 1.00 0.00 N ATOM 0 H ARG A 12 12.508 -5.616 13.859 1.00 0.00 H new ATOM 0 HA ARG A 12 15.251 -5.363 13.272 1.00 0.00 H new ATOM 0 HB2 ARG A 12 13.550 -6.880 12.205 1.00 0.00 H new ATOM 0 HB3 ARG A 12 12.847 -5.482 11.414 1.00 0.00 H new ATOM 0 HG2 ARG A 12 15.033 -5.074 10.257 1.00 0.00 H new ATOM 0 HG3 ARG A 12 15.676 -6.524 11.004 1.00 0.00 H new ATOM 0 HD2 ARG A 12 13.784 -7.832 9.953 1.00 0.00 H new ATOM 0 HD3 ARG A 12 13.293 -6.373 9.116 1.00 0.00 H new ATOM 0 HE ARG A 12 16.073 -7.391 8.729 1.00 0.00 H new ATOM 0 HH11 ARG A 12 12.867 -6.593 7.455 1.00 0.00 H new ATOM 0 HH12 ARG A 12 13.335 -6.882 5.777 1.00 0.00 H new ATOM 0 HH21 ARG A 12 16.650 -7.796 6.564 1.00 0.00 H new ATOM 0 HH22 ARG A 12 15.466 -7.560 5.274 1.00 0.00 H new ATOM 208 N GLN A 13 13.332 -2.834 12.395 1.00 0.00 N ATOM 209 CA GLN A 13 13.343 -1.435 11.981 1.00 0.00 C ATOM 210 C GLN A 13 14.146 -0.587 12.962 1.00 0.00 C ATOM 211 O GLN A 13 15.018 0.185 12.558 1.00 0.00 O ATOM 212 CB GLN A 13 11.914 -0.893 11.876 1.00 0.00 C ATOM 213 CG GLN A 13 11.049 -1.606 10.845 1.00 0.00 C ATOM 214 CD GLN A 13 11.507 -1.382 9.415 1.00 0.00 C ATOM 215 OE1 GLN A 13 12.696 -1.218 9.138 1.00 0.00 O ATOM 216 NE2 GLN A 13 10.559 -1.366 8.495 1.00 0.00 N ATOM 0 H GLN A 13 12.407 -3.193 12.633 1.00 0.00 H new ATOM 0 HA GLN A 13 13.816 -1.379 11.000 1.00 0.00 H new ATOM 0 HB2 GLN A 13 11.435 -0.972 12.852 1.00 0.00 H new ATOM 0 HB3 GLN A 13 11.957 0.167 11.627 1.00 0.00 H new ATOM 0 HG2 GLN A 13 11.052 -2.675 11.056 1.00 0.00 H new ATOM 0 HG3 GLN A 13 10.019 -1.264 10.947 1.00 0.00 H new ATOM 0 HE21 GLN A 13 9.585 -1.506 8.764 1.00 0.00 H new ATOM 0 HE22 GLN A 13 10.801 -1.214 7.516 1.00 0.00 H new ATOM 225 N ARG A 14 13.848 -0.741 14.252 1.00 0.00 N ATOM 226 CA ARG A 14 14.545 0.006 15.296 1.00 0.00 C ATOM 227 C ARG A 14 16.040 -0.285 15.255 1.00 0.00 C ATOM 228 O ARG A 14 16.861 0.616 15.426 1.00 0.00 O ATOM 229 CB ARG A 14 13.989 -0.341 16.683 1.00 0.00 C ATOM 230 CG ARG A 14 14.685 0.407 17.810 1.00 0.00 C ATOM 231 CD ARG A 14 14.152 0.009 19.175 1.00 0.00 C ATOM 232 NE ARG A 14 14.923 0.628 20.252 1.00 0.00 N ATOM 233 CZ ARG A 14 14.875 0.247 21.529 1.00 0.00 C ATOM 234 NH1 ARG A 14 14.037 -0.704 21.918 1.00 0.00 N ATOM 235 NH2 ARG A 14 15.658 0.834 22.427 1.00 0.00 N ATOM 0 H ARG A 14 13.129 -1.376 14.598 1.00 0.00 H new ATOM 0 HA ARG A 14 14.383 1.068 15.110 1.00 0.00 H new ATOM 0 HB2 ARG A 14 12.923 -0.113 16.708 1.00 0.00 H new ATOM 0 HB3 ARG A 14 14.090 -1.413 16.850 1.00 0.00 H new ATOM 0 HG2 ARG A 14 15.756 0.210 17.768 1.00 0.00 H new ATOM 0 HG3 ARG A 14 14.553 1.480 17.668 1.00 0.00 H new ATOM 0 HD2 ARG A 14 13.106 0.304 19.259 1.00 0.00 H new ATOM 0 HD3 ARG A 14 14.186 -1.076 19.278 1.00 0.00 H new ATOM 0 HE ARG A 14 15.539 1.404 20.010 1.00 0.00 H new ATOM 0 HH11 ARG A 14 13.422 -1.151 21.238 1.00 0.00 H new ATOM 0 HH12 ARG A 14 14.008 -0.989 22.897 1.00 0.00 H new ATOM 0 HH21 ARG A 14 16.296 1.576 22.140 1.00 0.00 H new ATOM 0 HH22 ARG A 14 15.621 0.543 23.404 1.00 0.00 H new ATOM 249 N ALA A 15 16.382 -1.550 15.023 1.00 0.00 N ATOM 250 CA ALA A 15 17.775 -1.968 14.933 1.00 0.00 C ATOM 251 C ALA A 15 18.522 -1.161 13.879 1.00 0.00 C ATOM 252 O ALA A 15 19.574 -0.583 14.153 1.00 0.00 O ATOM 253 CB ALA A 15 17.857 -3.454 14.617 1.00 0.00 C ATOM 0 H ALA A 15 15.709 -2.305 14.894 1.00 0.00 H new ATOM 0 HA ALA A 15 18.249 -1.784 15.897 1.00 0.00 H new ATOM 0 HB1 ALA A 15 18.903 -3.755 14.552 1.00 0.00 H new ATOM 0 HB2 ALA A 15 17.364 -4.022 15.406 1.00 0.00 H new ATOM 0 HB3 ALA A 15 17.363 -3.651 13.666 1.00 0.00 H new ATOM 259 N VAL A 16 17.955 -1.108 12.683 1.00 0.00 N ATOM 260 CA VAL A 16 18.565 -0.384 11.577 1.00 0.00 C ATOM 261 C VAL A 16 18.599 1.115 11.859 1.00 0.00 C ATOM 262 O VAL A 16 19.604 1.784 11.604 1.00 0.00 O ATOM 263 CB VAL A 16 17.810 -0.635 10.253 1.00 0.00 C ATOM 264 CG1 VAL A 16 18.488 0.080 9.096 1.00 0.00 C ATOM 265 CG2 VAL A 16 17.711 -2.124 9.967 1.00 0.00 C ATOM 0 H VAL A 16 17.070 -1.560 12.453 1.00 0.00 H new ATOM 0 HA VAL A 16 19.585 -0.756 11.476 1.00 0.00 H new ATOM 0 HB VAL A 16 16.802 -0.233 10.360 1.00 0.00 H new ATOM 0 HG11 VAL A 16 17.937 -0.113 8.176 1.00 0.00 H new ATOM 0 HG12 VAL A 16 18.505 1.152 9.291 1.00 0.00 H new ATOM 0 HG13 VAL A 16 19.509 -0.286 8.991 1.00 0.00 H new ATOM 0 HG21 VAL A 16 17.176 -2.280 9.030 1.00 0.00 H new ATOM 0 HG22 VAL A 16 18.713 -2.547 9.887 1.00 0.00 H new ATOM 0 HG23 VAL A 16 17.173 -2.615 10.778 1.00 0.00 H new ATOM 275 N ARG A 17 17.499 1.636 12.397 1.00 0.00 N ATOM 276 CA ARG A 17 17.391 3.061 12.685 1.00 0.00 C ATOM 277 C ARG A 17 18.474 3.504 13.665 1.00 0.00 C ATOM 278 O ARG A 17 19.129 4.522 13.450 1.00 0.00 O ATOM 279 CB ARG A 17 16.009 3.408 13.248 1.00 0.00 C ATOM 280 CG ARG A 17 15.841 4.895 13.513 1.00 0.00 C ATOM 281 CD ARG A 17 14.461 5.242 14.044 1.00 0.00 C ATOM 282 NE ARG A 17 14.352 6.676 14.310 1.00 0.00 N ATOM 283 CZ ARG A 17 13.207 7.348 14.395 1.00 0.00 C ATOM 284 NH1 ARG A 17 12.041 6.727 14.267 1.00 0.00 N ATOM 285 NH2 ARG A 17 13.240 8.656 14.608 1.00 0.00 N ATOM 0 H ARG A 17 16.671 1.092 12.642 1.00 0.00 H new ATOM 0 HA ARG A 17 17.528 3.595 11.745 1.00 0.00 H new ATOM 0 HB2 ARG A 17 15.242 3.079 12.547 1.00 0.00 H new ATOM 0 HB3 ARG A 17 15.850 2.857 14.175 1.00 0.00 H new ATOM 0 HG2 ARG A 17 16.594 5.220 14.231 1.00 0.00 H new ATOM 0 HG3 ARG A 17 16.021 5.447 12.591 1.00 0.00 H new ATOM 0 HD2 ARG A 17 13.702 4.943 13.321 1.00 0.00 H new ATOM 0 HD3 ARG A 17 14.267 4.682 14.959 1.00 0.00 H new ATOM 0 HE ARG A 17 15.218 7.199 14.440 1.00 0.00 H new ATOM 0 HH11 ARG A 17 12.015 5.721 14.101 1.00 0.00 H new ATOM 0 HH12 ARG A 17 11.171 7.256 14.335 1.00 0.00 H new ATOM 0 HH21 ARG A 17 14.136 9.135 14.704 1.00 0.00 H new ATOM 0 HH22 ARG A 17 12.370 9.184 14.675 1.00 0.00 H new ATOM 299 N MET A 18 18.670 2.729 14.726 1.00 0.00 N ATOM 300 CA MET A 18 19.682 3.052 15.726 1.00 0.00 C ATOM 301 C MET A 18 21.069 3.113 15.097 1.00 0.00 C ATOM 302 O MET A 18 21.834 4.041 15.354 1.00 0.00 O ATOM 303 CB MET A 18 19.676 2.033 16.870 1.00 0.00 C ATOM 304 CG MET A 18 18.454 2.123 17.770 1.00 0.00 C ATOM 305 SD MET A 18 18.517 0.949 19.139 1.00 0.00 S ATOM 306 CE MET A 18 18.525 -0.606 18.247 1.00 0.00 C ATOM 0 H MET A 18 18.144 1.876 14.916 1.00 0.00 H new ATOM 0 HA MET A 18 19.436 4.033 16.133 1.00 0.00 H new ATOM 0 HB2 MET A 18 19.732 1.029 16.449 1.00 0.00 H new ATOM 0 HB3 MET A 18 20.572 2.175 17.475 1.00 0.00 H new ATOM 0 HG2 MET A 18 18.373 3.135 18.167 1.00 0.00 H new ATOM 0 HG3 MET A 18 17.557 1.939 17.179 1.00 0.00 H new ATOM 0 HE1 MET A 18 18.278 -1.419 18.930 1.00 0.00 H new ATOM 0 HE2 MET A 18 17.788 -0.569 17.445 1.00 0.00 H new ATOM 0 HE3 MET A 18 19.514 -0.777 17.823 1.00 0.00 H new ATOM 316 N VAL A 19 21.377 2.129 14.252 1.00 0.00 N ATOM 317 CA VAL A 19 22.674 2.074 13.583 1.00 0.00 C ATOM 318 C VAL A 19 22.896 3.320 12.729 1.00 0.00 C ATOM 319 O VAL A 19 23.967 3.926 12.771 1.00 0.00 O ATOM 320 CB VAL A 19 22.810 0.815 12.695 1.00 0.00 C ATOM 321 CG1 VAL A 19 24.152 0.799 11.979 1.00 0.00 C ATOM 322 CG2 VAL A 19 22.642 -0.443 13.529 1.00 0.00 C ATOM 0 H VAL A 19 20.747 1.362 14.016 1.00 0.00 H new ATOM 0 HA VAL A 19 23.432 2.028 14.365 1.00 0.00 H new ATOM 0 HB VAL A 19 22.022 0.844 11.943 1.00 0.00 H new ATOM 0 HG11 VAL A 19 24.224 -0.096 11.361 1.00 0.00 H new ATOM 0 HG12 VAL A 19 24.238 1.684 11.348 1.00 0.00 H new ATOM 0 HG13 VAL A 19 24.957 0.798 12.714 1.00 0.00 H new ATOM 0 HG21 VAL A 19 22.741 -1.320 12.889 1.00 0.00 H new ATOM 0 HG22 VAL A 19 23.408 -0.471 14.303 1.00 0.00 H new ATOM 0 HG23 VAL A 19 21.656 -0.442 13.994 1.00 0.00 H new ATOM 332 N LEU A 20 21.870 3.706 11.977 1.00 0.00 N ATOM 333 CA LEU A 20 21.946 4.882 11.111 1.00 0.00 C ATOM 334 C LEU A 20 22.041 6.169 11.930 1.00 0.00 C ATOM 335 O LEU A 20 22.818 7.068 11.603 1.00 0.00 O ATOM 336 CB LEU A 20 20.733 4.948 10.177 1.00 0.00 C ATOM 337 CG LEU A 20 20.628 3.806 9.165 1.00 0.00 C ATOM 338 CD1 LEU A 20 19.358 3.944 8.343 1.00 0.00 C ATOM 339 CD2 LEU A 20 21.851 3.778 8.258 1.00 0.00 C ATOM 0 H LEU A 20 20.973 3.221 11.949 1.00 0.00 H new ATOM 0 HA LEU A 20 22.851 4.788 10.511 1.00 0.00 H new ATOM 0 HB2 LEU A 20 19.828 4.959 10.784 1.00 0.00 H new ATOM 0 HB3 LEU A 20 20.764 5.892 9.633 1.00 0.00 H new ATOM 0 HG LEU A 20 20.587 2.864 9.711 1.00 0.00 H new ATOM 0 HD11 LEU A 20 19.297 3.124 7.627 1.00 0.00 H new ATOM 0 HD12 LEU A 20 18.492 3.914 9.004 1.00 0.00 H new ATOM 0 HD13 LEU A 20 19.373 4.893 7.807 1.00 0.00 H new ATOM 0 HD21 LEU A 20 21.757 2.959 7.545 1.00 0.00 H new ATOM 0 HD22 LEU A 20 21.925 4.722 7.718 1.00 0.00 H new ATOM 0 HD23 LEU A 20 22.748 3.633 8.861 1.00 0.00 H new ATOM 351 N GLU A 21 21.257 6.243 12.999 1.00 0.00 N ATOM 352 CA GLU A 21 21.253 7.412 13.865 1.00 0.00 C ATOM 353 C GLU A 21 22.628 7.614 14.487 1.00 0.00 C ATOM 354 O GLU A 21 23.207 8.697 14.403 1.00 0.00 O ATOM 355 CB GLU A 21 20.203 7.251 14.965 1.00 0.00 C ATOM 356 CG GLU A 21 19.998 8.503 15.801 1.00 0.00 C ATOM 357 CD GLU A 21 19.099 8.260 16.993 1.00 0.00 C ATOM 358 OE1 GLU A 21 17.864 8.192 16.811 1.00 0.00 O ATOM 359 OE2 GLU A 21 19.623 8.124 18.120 1.00 0.00 O ATOM 0 H GLU A 21 20.615 5.504 13.286 1.00 0.00 H new ATOM 0 HA GLU A 21 21.006 8.287 13.264 1.00 0.00 H new ATOM 0 HB2 GLU A 21 19.253 6.969 14.510 1.00 0.00 H new ATOM 0 HB3 GLU A 21 20.499 6.432 15.620 1.00 0.00 H new ATOM 0 HG2 GLU A 21 20.965 8.868 16.147 1.00 0.00 H new ATOM 0 HG3 GLU A 21 19.566 9.286 15.178 1.00 0.00 H new ATOM 366 N SER A 22 23.156 6.555 15.089 1.00 0.00 N ATOM 367 CA SER A 22 24.469 6.608 15.708 1.00 0.00 C ATOM 368 C SER A 22 25.559 6.785 14.647 1.00 0.00 C ATOM 369 O SER A 22 26.612 7.352 14.921 1.00 0.00 O ATOM 370 CB SER A 22 24.708 5.340 16.527 1.00 0.00 C ATOM 371 OG SER A 22 23.686 5.157 17.492 1.00 0.00 O ATOM 0 H SER A 22 22.692 5.649 15.160 1.00 0.00 H new ATOM 0 HA SER A 22 24.510 7.468 16.376 1.00 0.00 H new ATOM 0 HB2 SER A 22 24.745 4.476 15.863 1.00 0.00 H new ATOM 0 HB3 SER A 22 25.676 5.401 17.025 1.00 0.00 H new ATOM 0 HG SER A 22 22.898 4.763 17.063 1.00 0.00 H new ATOM 377 N GLN A 23 25.290 6.316 13.434 1.00 0.00 N ATOM 378 CA GLN A 23 26.213 6.491 12.313 1.00 0.00 C ATOM 379 C GLN A 23 26.432 7.975 12.040 1.00 0.00 C ATOM 380 O GLN A 23 27.524 8.396 11.669 1.00 0.00 O ATOM 381 CB GLN A 23 25.662 5.802 11.061 1.00 0.00 C ATOM 382 CG GLN A 23 26.534 5.960 9.830 1.00 0.00 C ATOM 383 CD GLN A 23 25.887 5.369 8.590 1.00 0.00 C ATOM 384 OE1 GLN A 23 26.149 4.099 8.326 1.00 0.00 O flip ATOM 385 NE2 GLN A 23 25.152 6.050 7.879 1.00 0.00 N flip ATOM 0 H GLN A 23 24.437 5.809 13.199 1.00 0.00 H new ATOM 0 HA GLN A 23 27.169 6.036 12.573 1.00 0.00 H new ATOM 0 HB2 GLN A 23 25.537 4.740 11.270 1.00 0.00 H new ATOM 0 HB3 GLN A 23 24.672 6.203 10.845 1.00 0.00 H new ATOM 0 HG2 GLN A 23 26.736 7.018 9.663 1.00 0.00 H new ATOM 0 HG3 GLN A 23 27.495 5.475 10.003 1.00 0.00 H new ATOM 0 HE21 GLN A 23 24.974 7.026 8.116 1.00 0.00 H new ATOM 0 HE22 GLN A 23 24.719 5.639 7.052 1.00 0.00 H new ATOM 394 N GLY A 24 25.383 8.763 12.239 1.00 0.00 N ATOM 395 CA GLY A 24 25.482 10.197 12.052 1.00 0.00 C ATOM 396 C GLY A 24 26.225 10.882 13.184 1.00 0.00 C ATOM 397 O GLY A 24 26.756 11.979 13.014 1.00 0.00 O ATOM 0 H GLY A 24 24.462 8.433 12.528 1.00 0.00 H new ATOM 0 HA2 GLY A 24 25.991 10.403 11.111 1.00 0.00 H new ATOM 0 HA3 GLY A 24 24.480 10.619 11.971 1.00 0.00 H new ATOM 401 N GLU A 25 26.263 10.240 14.345 1.00 0.00 N ATOM 402 CA GLU A 25 26.932 10.811 15.507 1.00 0.00 C ATOM 403 C GLU A 25 28.371 10.308 15.607 1.00 0.00 C ATOM 404 O GLU A 25 29.204 10.903 16.293 1.00 0.00 O ATOM 405 CB GLU A 25 26.158 10.480 16.785 1.00 0.00 C ATOM 406 CG GLU A 25 24.703 10.925 16.735 1.00 0.00 C ATOM 407 CD GLU A 25 23.994 10.798 18.066 1.00 0.00 C ATOM 408 OE1 GLU A 25 23.713 9.661 18.493 1.00 0.00 O ATOM 409 OE2 GLU A 25 23.708 11.844 18.689 1.00 0.00 O ATOM 0 H GLU A 25 25.840 9.326 14.507 1.00 0.00 H new ATOM 0 HA GLU A 25 26.958 11.894 15.388 1.00 0.00 H new ATOM 0 HB2 GLU A 25 26.197 9.404 16.958 1.00 0.00 H new ATOM 0 HB3 GLU A 25 26.649 10.957 17.633 1.00 0.00 H new ATOM 0 HG2 GLU A 25 24.658 11.963 16.405 1.00 0.00 H new ATOM 0 HG3 GLU A 25 24.173 10.330 15.991 1.00 0.00 H new ATOM 416 N TYR A 26 28.647 9.207 14.924 1.00 0.00 N ATOM 417 CA TYR A 26 29.994 8.656 14.847 1.00 0.00 C ATOM 418 C TYR A 26 30.548 8.848 13.437 1.00 0.00 C ATOM 419 O TYR A 26 30.027 9.660 12.669 1.00 0.00 O ATOM 420 CB TYR A 26 29.988 7.164 15.209 1.00 0.00 C ATOM 421 CG TYR A 26 29.762 6.872 16.680 1.00 0.00 C ATOM 422 CD1 TYR A 26 28.507 7.017 17.260 1.00 0.00 C ATOM 423 CD2 TYR A 26 30.807 6.432 17.488 1.00 0.00 C ATOM 424 CE1 TYR A 26 28.300 6.738 18.597 1.00 0.00 C ATOM 425 CE2 TYR A 26 30.606 6.152 18.828 1.00 0.00 C ATOM 426 CZ TYR A 26 29.350 6.306 19.376 1.00 0.00 C ATOM 427 OH TYR A 26 29.145 6.027 20.708 1.00 0.00 O ATOM 0 H TYR A 26 27.948 8.672 14.409 1.00 0.00 H new ATOM 0 HA TYR A 26 30.629 9.182 15.560 1.00 0.00 H new ATOM 0 HB2 TYR A 26 29.210 6.666 14.630 1.00 0.00 H new ATOM 0 HB3 TYR A 26 30.940 6.727 14.907 1.00 0.00 H new ATOM 0 HD1 TYR A 26 27.679 7.354 16.654 1.00 0.00 H new ATOM 0 HD2 TYR A 26 31.791 6.307 17.062 1.00 0.00 H new ATOM 0 HE1 TYR A 26 27.318 6.858 19.030 1.00 0.00 H new ATOM 0 HE2 TYR A 26 31.428 5.815 19.441 1.00 0.00 H new ATOM 0 HH TYR A 26 29.987 5.733 21.114 1.00 0.00 H new ATOM 437 N ASP A 27 31.599 8.111 13.103 1.00 0.00 N ATOM 438 CA ASP A 27 32.186 8.172 11.768 1.00 0.00 C ATOM 439 C ASP A 27 31.946 6.872 11.017 1.00 0.00 C ATOM 440 O ASP A 27 31.727 6.871 9.806 1.00 0.00 O ATOM 441 CB ASP A 27 33.696 8.435 11.841 1.00 0.00 C ATOM 442 CG ASP A 27 34.035 9.800 12.400 1.00 0.00 C ATOM 443 OD1 ASP A 27 33.759 10.810 11.725 1.00 0.00 O ATOM 444 OD2 ASP A 27 34.610 9.869 13.505 1.00 0.00 O ATOM 0 H ASP A 27 32.064 7.463 13.738 1.00 0.00 H new ATOM 0 HA ASP A 27 31.706 8.994 11.237 1.00 0.00 H new ATOM 0 HB2 ASP A 27 34.162 7.669 12.461 1.00 0.00 H new ATOM 0 HB3 ASP A 27 34.124 8.341 10.843 1.00 0.00 H new ATOM 449 N SER A 28 31.988 5.768 11.743 1.00 0.00 N ATOM 450 CA SER A 28 31.873 4.448 11.145 1.00 0.00 C ATOM 451 C SER A 28 30.634 3.719 11.658 1.00 0.00 C ATOM 452 O SER A 28 30.303 3.802 12.843 1.00 0.00 O ATOM 453 CB SER A 28 33.133 3.644 11.468 1.00 0.00 C ATOM 454 OG SER A 28 32.982 2.274 11.146 1.00 0.00 O ATOM 0 H SER A 28 32.102 5.760 12.757 1.00 0.00 H new ATOM 0 HA SER A 28 31.770 4.555 10.065 1.00 0.00 H new ATOM 0 HB2 SER A 28 33.978 4.056 10.916 1.00 0.00 H new ATOM 0 HB3 SER A 28 33.366 3.744 12.528 1.00 0.00 H new ATOM 0 HG SER A 28 33.808 1.794 11.365 1.00 0.00 H new ATOM 460 N GLN A 29 29.951 3.002 10.766 1.00 0.00 N ATOM 461 CA GLN A 29 28.818 2.183 11.174 1.00 0.00 C ATOM 462 C GLN A 29 29.315 0.952 11.919 1.00 0.00 C ATOM 463 O GLN A 29 28.632 0.418 12.784 1.00 0.00 O ATOM 464 CB GLN A 29 27.961 1.756 9.973 1.00 0.00 C ATOM 465 CG GLN A 29 28.635 0.748 9.049 1.00 0.00 C ATOM 466 CD GLN A 29 27.683 0.168 8.021 1.00 0.00 C ATOM 467 OE1 GLN A 29 27.038 -0.851 8.258 1.00 0.00 O ATOM 468 NE2 GLN A 29 27.600 0.803 6.865 1.00 0.00 N ATOM 0 H GLN A 29 30.162 2.973 9.768 1.00 0.00 H new ATOM 0 HA GLN A 29 28.191 2.785 11.831 1.00 0.00 H new ATOM 0 HB2 GLN A 29 27.029 1.328 10.341 1.00 0.00 H new ATOM 0 HB3 GLN A 29 27.699 2.642 9.395 1.00 0.00 H new ATOM 0 HG2 GLN A 29 29.467 1.231 8.536 1.00 0.00 H new ATOM 0 HG3 GLN A 29 29.056 -0.061 9.646 1.00 0.00 H new ATOM 0 HE21 GLN A 29 28.151 1.646 6.706 1.00 0.00 H new ATOM 0 HE22 GLN A 29 26.985 0.450 6.132 1.00 0.00 H new ATOM 477 N TRP A 30 30.527 0.523 11.600 1.00 0.00 N ATOM 478 CA TRP A 30 31.106 -0.654 12.227 1.00 0.00 C ATOM 479 C TRP A 30 31.458 -0.356 13.679 1.00 0.00 C ATOM 480 O TRP A 30 31.525 -1.257 14.518 1.00 0.00 O ATOM 481 CB TRP A 30 32.340 -1.108 11.446 1.00 0.00 C ATOM 482 CG TRP A 30 32.031 -1.438 10.015 1.00 0.00 C ATOM 483 CD1 TRP A 30 31.378 -2.544 9.558 1.00 0.00 C ATOM 484 CD2 TRP A 30 32.363 -0.661 8.853 1.00 0.00 C ATOM 485 NE1 TRP A 30 31.279 -2.502 8.188 1.00 0.00 N ATOM 486 CE2 TRP A 30 31.874 -1.357 7.733 1.00 0.00 C ATOM 487 CE3 TRP A 30 33.021 0.554 8.653 1.00 0.00 C ATOM 488 CZ2 TRP A 30 32.024 -0.878 6.433 1.00 0.00 C ATOM 489 CZ3 TRP A 30 33.170 1.030 7.363 1.00 0.00 C ATOM 490 CH2 TRP A 30 32.671 0.315 6.268 1.00 0.00 C ATOM 0 H TRP A 30 31.128 0.973 10.910 1.00 0.00 H new ATOM 0 HA TRP A 30 30.375 -1.463 12.214 1.00 0.00 H new ATOM 0 HB2 TRP A 30 33.095 -0.322 11.479 1.00 0.00 H new ATOM 0 HB3 TRP A 30 32.770 -1.984 11.932 1.00 0.00 H new ATOM 0 HD1 TRP A 30 30.994 -3.338 10.182 1.00 0.00 H new ATOM 0 HE1 TRP A 30 30.834 -3.210 7.604 1.00 0.00 H new ATOM 0 HE3 TRP A 30 33.407 1.113 9.492 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 31.643 -1.429 5.586 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 33.679 1.968 7.198 1.00 0.00 H new ATOM 0 HH2 TRP A 30 32.800 0.714 5.273 1.00 0.00 H new ATOM 501 N ALA A 31 31.646 0.926 13.971 1.00 0.00 N ATOM 502 CA ALA A 31 31.932 1.372 15.323 1.00 0.00 C ATOM 503 C ALA A 31 30.662 1.386 16.169 1.00 0.00 C ATOM 504 O ALA A 31 30.716 1.251 17.391 1.00 0.00 O ATOM 505 CB ALA A 31 32.574 2.751 15.302 1.00 0.00 C ATOM 0 H ALA A 31 31.604 1.677 13.282 1.00 0.00 H new ATOM 0 HA ALA A 31 32.633 0.669 15.774 1.00 0.00 H new ATOM 0 HB1 ALA A 31 32.782 3.071 16.323 1.00 0.00 H new ATOM 0 HB2 ALA A 31 33.506 2.710 14.738 1.00 0.00 H new ATOM 0 HB3 ALA A 31 31.895 3.461 14.830 1.00 0.00 H new ATOM 511 N THR A 32 29.517 1.542 15.514 1.00 0.00 N ATOM 512 CA THR A 32 28.247 1.552 16.216 1.00 0.00 C ATOM 513 C THR A 32 27.645 0.151 16.277 1.00 0.00 C ATOM 514 O THR A 32 27.115 -0.255 17.309 1.00 0.00 O ATOM 515 CB THR A 32 27.247 2.526 15.560 1.00 0.00 C ATOM 516 OG1 THR A 32 27.048 2.187 14.183 1.00 0.00 O ATOM 517 CG2 THR A 32 27.750 3.957 15.657 1.00 0.00 C ATOM 0 H THR A 32 29.446 1.662 14.504 1.00 0.00 H new ATOM 0 HA THR A 32 28.443 1.895 17.232 1.00 0.00 H new ATOM 0 HB THR A 32 26.300 2.443 16.093 1.00 0.00 H new ATOM 0 HG1 THR A 32 27.750 1.567 13.894 1.00 0.00 H new ATOM 0 HG21 THR A 32 27.030 4.628 15.188 1.00 0.00 H new ATOM 0 HG22 THR A 32 27.871 4.230 16.705 1.00 0.00 H new ATOM 0 HG23 THR A 32 28.710 4.041 15.147 1.00 0.00 H new ATOM 525 N ILE A 33 27.755 -0.590 15.175 1.00 0.00 N ATOM 526 CA ILE A 33 27.242 -1.957 15.099 1.00 0.00 C ATOM 527 C ILE A 33 27.748 -2.813 16.261 1.00 0.00 C ATOM 528 O ILE A 33 26.965 -3.490 16.921 1.00 0.00 O ATOM 529 CB ILE A 33 27.621 -2.631 13.758 1.00 0.00 C ATOM 530 CG1 ILE A 33 26.849 -1.989 12.602 1.00 0.00 C ATOM 531 CG2 ILE A 33 27.351 -4.128 13.807 1.00 0.00 C ATOM 532 CD1 ILE A 33 27.239 -2.525 11.240 1.00 0.00 C ATOM 0 H ILE A 33 28.198 -0.263 14.317 1.00 0.00 H new ATOM 0 HA ILE A 33 26.156 -1.887 15.163 1.00 0.00 H new ATOM 0 HB ILE A 33 28.688 -2.483 13.593 1.00 0.00 H new ATOM 0 HG12 ILE A 33 25.782 -2.151 12.755 1.00 0.00 H new ATOM 0 HG13 ILE A 33 27.014 -0.912 12.620 1.00 0.00 H new ATOM 0 HG21 ILE A 33 27.625 -4.579 12.853 1.00 0.00 H new ATOM 0 HG22 ILE A 33 27.942 -4.578 14.604 1.00 0.00 H new ATOM 0 HG23 ILE A 33 26.292 -4.301 13.998 1.00 0.00 H new ATOM 0 HD11 ILE A 33 26.652 -2.025 10.470 1.00 0.00 H new ATOM 0 HD12 ILE A 33 28.299 -2.339 11.066 1.00 0.00 H new ATOM 0 HD13 ILE A 33 27.048 -3.597 11.203 1.00 0.00 H new ATOM 544 N CYS A 34 29.046 -2.749 16.535 1.00 0.00 N ATOM 545 CA CYS A 34 29.643 -3.568 17.587 1.00 0.00 C ATOM 546 C CYS A 34 29.160 -3.144 18.977 1.00 0.00 C ATOM 547 O CYS A 34 29.332 -3.876 19.949 1.00 0.00 O ATOM 548 CB CYS A 34 31.168 -3.497 17.507 1.00 0.00 C ATOM 549 SG CYS A 34 31.824 -1.817 17.464 1.00 0.00 S ATOM 0 H CYS A 34 29.704 -2.142 16.046 1.00 0.00 H new ATOM 0 HA CYS A 34 29.324 -4.598 17.429 1.00 0.00 H new ATOM 0 HB2 CYS A 34 31.591 -4.019 18.365 1.00 0.00 H new ATOM 0 HB3 CYS A 34 31.500 -4.028 16.615 1.00 0.00 H new ATOM 0 HG CYS A 34 31.887 -1.407 16.232 1.00 0.00 H new ATOM 555 N SER A 35 28.553 -1.965 19.067 1.00 0.00 N ATOM 556 CA SER A 35 28.032 -1.470 20.332 1.00 0.00 C ATOM 557 C SER A 35 26.522 -1.723 20.433 1.00 0.00 C ATOM 558 O SER A 35 25.947 -1.725 21.524 1.00 0.00 O ATOM 559 CB SER A 35 28.340 0.028 20.472 1.00 0.00 C ATOM 560 OG SER A 35 28.123 0.478 21.798 1.00 0.00 O ATOM 0 H SER A 35 28.411 -1.336 18.277 1.00 0.00 H new ATOM 0 HA SER A 35 28.518 -2.007 21.146 1.00 0.00 H new ATOM 0 HB2 SER A 35 29.375 0.217 20.187 1.00 0.00 H new ATOM 0 HB3 SER A 35 27.712 0.596 19.786 1.00 0.00 H new ATOM 0 HG SER A 35 28.329 1.434 21.857 1.00 0.00 H new ATOM 566 N ILE A 36 25.886 -1.952 19.290 1.00 0.00 N ATOM 567 CA ILE A 36 24.438 -2.114 19.236 1.00 0.00 C ATOM 568 C ILE A 36 24.037 -3.585 19.099 1.00 0.00 C ATOM 569 O ILE A 36 23.126 -4.048 19.784 1.00 0.00 O ATOM 570 CB ILE A 36 23.831 -1.299 18.072 1.00 0.00 C ATOM 571 CG1 ILE A 36 24.156 0.189 18.241 1.00 0.00 C ATOM 572 CG2 ILE A 36 22.324 -1.510 17.998 1.00 0.00 C ATOM 573 CD1 ILE A 36 23.698 1.047 17.081 1.00 0.00 C ATOM 0 H ILE A 36 26.352 -2.030 18.386 1.00 0.00 H new ATOM 0 HA ILE A 36 24.042 -1.737 20.179 1.00 0.00 H new ATOM 0 HB ILE A 36 24.271 -1.649 17.138 1.00 0.00 H new ATOM 0 HG12 ILE A 36 23.689 0.552 19.157 1.00 0.00 H new ATOM 0 HG13 ILE A 36 25.233 0.305 18.364 1.00 0.00 H new ATOM 0 HG21 ILE A 36 21.915 -0.928 17.172 1.00 0.00 H new ATOM 0 HG22 ILE A 36 22.112 -2.567 17.837 1.00 0.00 H new ATOM 0 HG23 ILE A 36 21.865 -1.186 18.932 1.00 0.00 H new ATOM 0 HD11 ILE A 36 23.962 2.087 17.271 1.00 0.00 H new ATOM 0 HD12 ILE A 36 24.184 0.711 16.165 1.00 0.00 H new ATOM 0 HD13 ILE A 36 22.617 0.962 16.970 1.00 0.00 H new ATOM 585 N ALA A 37 24.733 -4.317 18.232 1.00 0.00 N ATOM 586 CA ALA A 37 24.398 -5.715 17.954 1.00 0.00 C ATOM 587 C ALA A 37 24.338 -6.576 19.225 1.00 0.00 C ATOM 588 O ALA A 37 23.345 -7.275 19.438 1.00 0.00 O ATOM 589 CB ALA A 37 25.372 -6.309 16.942 1.00 0.00 C ATOM 0 H ALA A 37 25.535 -3.966 17.708 1.00 0.00 H new ATOM 0 HA ALA A 37 23.395 -5.721 17.526 1.00 0.00 H new ATOM 0 HB1 ALA A 37 25.107 -7.348 16.748 1.00 0.00 H new ATOM 0 HB2 ALA A 37 25.321 -5.742 16.012 1.00 0.00 H new ATOM 0 HB3 ALA A 37 26.385 -6.262 17.341 1.00 0.00 H new ATOM 595 N PRO A 38 25.374 -6.547 20.099 1.00 0.00 N ATOM 596 CA PRO A 38 25.370 -7.335 21.339 1.00 0.00 C ATOM 597 C PRO A 38 24.268 -6.895 22.302 1.00 0.00 C ATOM 598 O PRO A 38 23.798 -7.680 23.123 1.00 0.00 O ATOM 599 CB PRO A 38 26.748 -7.069 21.958 1.00 0.00 C ATOM 600 CG PRO A 38 27.575 -6.519 20.848 1.00 0.00 C ATOM 601 CD PRO A 38 26.622 -5.777 19.960 1.00 0.00 C ATOM 0 HA PRO A 38 25.180 -8.389 21.139 1.00 0.00 H new ATOM 0 HB2 PRO A 38 26.678 -6.362 22.785 1.00 0.00 H new ATOM 0 HB3 PRO A 38 27.184 -7.985 22.357 1.00 0.00 H new ATOM 0 HG2 PRO A 38 28.351 -5.856 21.230 1.00 0.00 H new ATOM 0 HG3 PRO A 38 28.078 -7.317 20.302 1.00 0.00 H new ATOM 0 HD2 PRO A 38 26.496 -4.742 20.278 1.00 0.00 H new ATOM 0 HD3 PRO A 38 26.968 -5.753 18.927 1.00 0.00 H new ATOM 609 N LYS A 39 23.852 -5.639 22.182 1.00 0.00 N ATOM 610 CA LYS A 39 22.820 -5.089 23.050 1.00 0.00 C ATOM 611 C LYS A 39 21.446 -5.590 22.620 1.00 0.00 C ATOM 612 O LYS A 39 20.536 -5.732 23.435 1.00 0.00 O ATOM 613 CB LYS A 39 22.873 -3.559 23.027 1.00 0.00 C ATOM 614 CG LYS A 39 21.922 -2.898 24.007 1.00 0.00 C ATOM 615 CD LYS A 39 22.156 -1.398 24.081 1.00 0.00 C ATOM 616 CE LYS A 39 21.270 -0.751 25.129 1.00 0.00 C ATOM 617 NZ LYS A 39 21.585 0.690 25.318 1.00 0.00 N ATOM 0 H LYS A 39 24.215 -4.983 21.491 1.00 0.00 H new ATOM 0 HA LYS A 39 23.001 -5.424 24.071 1.00 0.00 H new ATOM 0 HB2 LYS A 39 23.890 -3.237 23.249 1.00 0.00 H new ATOM 0 HB3 LYS A 39 22.641 -3.212 22.020 1.00 0.00 H new ATOM 0 HG2 LYS A 39 20.893 -3.093 23.705 1.00 0.00 H new ATOM 0 HG3 LYS A 39 22.053 -3.337 24.996 1.00 0.00 H new ATOM 0 HD2 LYS A 39 23.202 -1.203 24.316 1.00 0.00 H new ATOM 0 HD3 LYS A 39 21.958 -0.949 23.108 1.00 0.00 H new ATOM 0 HE2 LYS A 39 20.226 -0.858 24.836 1.00 0.00 H new ATOM 0 HE3 LYS A 39 21.390 -1.275 26.077 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 20.956 1.091 26.043 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 22.574 0.792 25.623 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 21.446 1.196 24.420 1.00 0.00 H new ATOM 631 N ILE A 40 21.306 -5.861 21.333 1.00 0.00 N ATOM 632 CA ILE A 40 20.081 -6.439 20.806 1.00 0.00 C ATOM 633 C ILE A 40 20.109 -7.954 20.983 1.00 0.00 C ATOM 634 O ILE A 40 19.125 -8.569 21.393 1.00 0.00 O ATOM 635 CB ILE A 40 19.897 -6.105 19.310 1.00 0.00 C ATOM 636 CG1 ILE A 40 19.934 -4.590 19.095 1.00 0.00 C ATOM 637 CG2 ILE A 40 18.588 -6.688 18.790 1.00 0.00 C ATOM 638 CD1 ILE A 40 19.868 -4.185 17.639 1.00 0.00 C ATOM 0 H ILE A 40 22.027 -5.690 20.632 1.00 0.00 H new ATOM 0 HA ILE A 40 19.244 -6.012 21.359 1.00 0.00 H new ATOM 0 HB ILE A 40 20.718 -6.554 18.751 1.00 0.00 H new ATOM 0 HG12 ILE A 40 19.100 -4.135 19.629 1.00 0.00 H new ATOM 0 HG13 ILE A 40 20.849 -4.191 19.534 1.00 0.00 H new ATOM 0 HG21 ILE A 40 18.475 -6.443 17.734 1.00 0.00 H new ATOM 0 HG22 ILE A 40 18.598 -7.771 18.912 1.00 0.00 H new ATOM 0 HG23 ILE A 40 17.754 -6.267 19.352 1.00 0.00 H new ATOM 0 HD11 ILE A 40 19.899 -3.098 17.562 1.00 0.00 H new ATOM 0 HD12 ILE A 40 20.717 -4.611 17.104 1.00 0.00 H new ATOM 0 HD13 ILE A 40 18.941 -4.554 17.200 1.00 0.00 H new ATOM 650 N GLY A 41 21.264 -8.541 20.697 1.00 0.00 N ATOM 651 CA GLY A 41 21.411 -9.979 20.774 1.00 0.00 C ATOM 652 C GLY A 41 21.606 -10.596 19.406 1.00 0.00 C ATOM 653 O GLY A 41 21.457 -11.807 19.229 1.00 0.00 O ATOM 0 H GLY A 41 22.106 -8.042 20.411 1.00 0.00 H new ATOM 0 HA2 GLY A 41 22.263 -10.224 21.409 1.00 0.00 H new ATOM 0 HA3 GLY A 41 20.528 -10.410 21.245 1.00 0.00 H new ATOM 657 N CYS A 42 21.951 -9.761 18.438 1.00 0.00 N ATOM 658 CA CYS A 42 22.149 -10.210 17.073 1.00 0.00 C ATOM 659 C CYS A 42 23.626 -10.163 16.703 1.00 0.00 C ATOM 660 O CYS A 42 24.445 -9.607 17.440 1.00 0.00 O ATOM 661 CB CYS A 42 21.331 -9.344 16.114 1.00 0.00 C ATOM 662 SG CYS A 42 21.643 -7.570 16.265 1.00 0.00 S ATOM 0 H CYS A 42 22.100 -8.762 18.577 1.00 0.00 H new ATOM 0 HA CYS A 42 21.809 -11.243 16.992 1.00 0.00 H new ATOM 0 HB2 CYS A 42 21.545 -9.653 15.091 1.00 0.00 H new ATOM 0 HB3 CYS A 42 20.271 -9.531 16.288 1.00 0.00 H new ATOM 0 HG CYS A 42 20.762 -6.914 15.569 1.00 0.00 H new ATOM 668 N THR A 43 23.963 -10.760 15.574 1.00 0.00 N ATOM 669 CA THR A 43 25.327 -10.754 15.085 1.00 0.00 C ATOM 670 C THR A 43 25.623 -9.466 14.324 1.00 0.00 C ATOM 671 O THR A 43 24.754 -8.938 13.622 1.00 0.00 O ATOM 672 CB THR A 43 25.575 -11.957 14.163 1.00 0.00 C ATOM 673 OG1 THR A 43 24.483 -12.082 13.247 1.00 0.00 O ATOM 674 CG2 THR A 43 25.722 -13.239 14.967 1.00 0.00 C ATOM 0 H THR A 43 23.304 -11.258 14.976 1.00 0.00 H new ATOM 0 HA THR A 43 25.990 -10.819 15.948 1.00 0.00 H new ATOM 0 HB THR A 43 26.503 -11.792 13.615 1.00 0.00 H new ATOM 0 HG1 THR A 43 24.253 -11.199 12.890 1.00 0.00 H new ATOM 0 HG21 THR A 43 25.897 -14.075 14.290 1.00 0.00 H new ATOM 0 HG22 THR A 43 26.565 -13.144 15.652 1.00 0.00 H new ATOM 0 HG23 THR A 43 24.810 -13.418 15.537 1.00 0.00 H new ATOM 682 N PRO A 44 26.852 -8.938 14.461 1.00 0.00 N ATOM 683 CA PRO A 44 27.268 -7.708 13.779 1.00 0.00 C ATOM 684 C PRO A 44 27.102 -7.799 12.265 1.00 0.00 C ATOM 685 O PRO A 44 26.715 -6.828 11.613 1.00 0.00 O ATOM 686 CB PRO A 44 28.749 -7.571 14.150 1.00 0.00 C ATOM 687 CG PRO A 44 28.902 -8.350 15.406 1.00 0.00 C ATOM 688 CD PRO A 44 27.930 -9.492 15.301 1.00 0.00 C ATOM 0 HA PRO A 44 26.662 -6.854 14.080 1.00 0.00 H new ATOM 0 HB2 PRO A 44 29.392 -7.963 13.361 1.00 0.00 H new ATOM 0 HB3 PRO A 44 29.025 -6.527 14.297 1.00 0.00 H new ATOM 0 HG2 PRO A 44 29.923 -8.715 15.518 1.00 0.00 H new ATOM 0 HG3 PRO A 44 28.687 -7.732 16.278 1.00 0.00 H new ATOM 0 HD2 PRO A 44 28.387 -10.369 14.843 1.00 0.00 H new ATOM 0 HD3 PRO A 44 27.561 -9.799 16.280 1.00 0.00 H new ATOM 696 N GLU A 45 27.382 -8.977 11.719 1.00 0.00 N ATOM 697 CA GLU A 45 27.289 -9.200 10.281 1.00 0.00 C ATOM 698 C GLU A 45 25.856 -9.024 9.790 1.00 0.00 C ATOM 699 O GLU A 45 25.599 -8.241 8.878 1.00 0.00 O ATOM 700 CB GLU A 45 27.797 -10.600 9.926 1.00 0.00 C ATOM 701 CG GLU A 45 29.241 -10.842 10.335 1.00 0.00 C ATOM 702 CD GLU A 45 29.728 -12.231 9.982 1.00 0.00 C ATOM 703 OE1 GLU A 45 29.365 -13.194 10.693 1.00 0.00 O ATOM 704 OE2 GLU A 45 30.483 -12.364 8.995 1.00 0.00 O ATOM 0 H GLU A 45 27.676 -9.795 12.253 1.00 0.00 H new ATOM 0 HA GLU A 45 27.914 -8.458 9.784 1.00 0.00 H new ATOM 0 HB2 GLU A 45 27.161 -11.342 10.409 1.00 0.00 H new ATOM 0 HB3 GLU A 45 27.702 -10.751 8.851 1.00 0.00 H new ATOM 0 HG2 GLU A 45 29.880 -10.104 9.849 1.00 0.00 H new ATOM 0 HG3 GLU A 45 29.339 -10.690 11.410 1.00 0.00 H new ATOM 711 N THR A 46 24.925 -9.742 10.407 1.00 0.00 N ATOM 712 CA THR A 46 23.529 -9.685 10.002 1.00 0.00 C ATOM 713 C THR A 46 22.931 -8.299 10.248 1.00 0.00 C ATOM 714 O THR A 46 22.082 -7.837 9.481 1.00 0.00 O ATOM 715 CB THR A 46 22.703 -10.759 10.734 1.00 0.00 C ATOM 716 OG1 THR A 46 23.271 -12.052 10.478 1.00 0.00 O ATOM 717 CG2 THR A 46 21.249 -10.745 10.284 1.00 0.00 C ATOM 0 H THR A 46 25.113 -10.370 11.189 1.00 0.00 H new ATOM 0 HA THR A 46 23.491 -9.884 8.931 1.00 0.00 H new ATOM 0 HB THR A 46 22.729 -10.541 11.802 1.00 0.00 H new ATOM 0 HG1 THR A 46 23.771 -12.352 11.266 1.00 0.00 H new ATOM 0 HG21 THR A 46 20.695 -11.515 10.820 1.00 0.00 H new ATOM 0 HG22 THR A 46 20.812 -9.769 10.496 1.00 0.00 H new ATOM 0 HG23 THR A 46 21.198 -10.941 9.213 1.00 0.00 H new ATOM 725 N LEU A 47 23.390 -7.632 11.305 1.00 0.00 N ATOM 726 CA LEU A 47 22.940 -6.276 11.594 1.00 0.00 C ATOM 727 C LEU A 47 23.316 -5.341 10.447 1.00 0.00 C ATOM 728 O LEU A 47 22.512 -4.511 10.019 1.00 0.00 O ATOM 729 CB LEU A 47 23.541 -5.772 12.910 1.00 0.00 C ATOM 730 CG LEU A 47 23.069 -4.383 13.351 1.00 0.00 C ATOM 731 CD1 LEU A 47 21.568 -4.378 13.599 1.00 0.00 C ATOM 732 CD2 LEU A 47 23.808 -3.940 14.601 1.00 0.00 C ATOM 0 H LEU A 47 24.068 -8.006 11.969 1.00 0.00 H new ATOM 0 HA LEU A 47 21.855 -6.289 11.698 1.00 0.00 H new ATOM 0 HB2 LEU A 47 23.302 -6.487 13.698 1.00 0.00 H new ATOM 0 HB3 LEU A 47 24.627 -5.756 12.813 1.00 0.00 H new ATOM 0 HG LEU A 47 23.289 -3.680 12.548 1.00 0.00 H new ATOM 0 HD11 LEU A 47 21.254 -3.382 13.911 1.00 0.00 H new ATOM 0 HD12 LEU A 47 21.047 -4.652 12.682 1.00 0.00 H new ATOM 0 HD13 LEU A 47 21.326 -5.097 14.382 1.00 0.00 H new ATOM 0 HD21 LEU A 47 23.459 -2.951 14.899 1.00 0.00 H new ATOM 0 HD22 LEU A 47 23.618 -4.649 15.406 1.00 0.00 H new ATOM 0 HD23 LEU A 47 24.878 -3.901 14.396 1.00 0.00 H new ATOM 744 N ARG A 48 24.534 -5.497 9.936 1.00 0.00 N ATOM 745 CA ARG A 48 24.985 -4.703 8.802 1.00 0.00 C ATOM 746 C ARG A 48 24.164 -5.032 7.559 1.00 0.00 C ATOM 747 O ARG A 48 23.851 -4.150 6.761 1.00 0.00 O ATOM 748 CB ARG A 48 26.468 -4.947 8.518 1.00 0.00 C ATOM 749 CG ARG A 48 26.982 -4.143 7.338 1.00 0.00 C ATOM 750 CD ARG A 48 28.437 -4.451 7.033 1.00 0.00 C ATOM 751 NE ARG A 48 28.906 -3.711 5.865 1.00 0.00 N ATOM 752 CZ ARG A 48 30.110 -3.860 5.308 1.00 0.00 C ATOM 753 NH1 ARG A 48 30.997 -4.707 5.827 1.00 0.00 N ATOM 754 NH2 ARG A 48 30.428 -3.152 4.233 1.00 0.00 N ATOM 0 H ARG A 48 25.222 -6.163 10.288 1.00 0.00 H new ATOM 0 HA ARG A 48 24.846 -3.652 9.055 1.00 0.00 H new ATOM 0 HB2 ARG A 48 27.049 -4.694 9.405 1.00 0.00 H new ATOM 0 HB3 ARG A 48 26.626 -6.008 8.325 1.00 0.00 H new ATOM 0 HG2 ARG A 48 26.374 -4.358 6.460 1.00 0.00 H new ATOM 0 HG3 ARG A 48 26.873 -3.079 7.549 1.00 0.00 H new ATOM 0 HD2 ARG A 48 29.052 -4.198 7.896 1.00 0.00 H new ATOM 0 HD3 ARG A 48 28.555 -5.521 6.859 1.00 0.00 H new ATOM 0 HE ARG A 48 28.270 -3.033 5.446 1.00 0.00 H new ATOM 0 HH11 ARG A 48 30.759 -5.249 6.658 1.00 0.00 H new ATOM 0 HH12 ARG A 48 31.914 -4.814 5.394 1.00 0.00 H new ATOM 0 HH21 ARG A 48 29.754 -2.497 3.836 1.00 0.00 H new ATOM 0 HH22 ARG A 48 31.347 -3.262 3.803 1.00 0.00 H new ATOM 768 N VAL A 49 23.812 -6.305 7.408 1.00 0.00 N ATOM 769 CA VAL A 49 22.997 -6.745 6.280 1.00 0.00 C ATOM 770 C VAL A 49 21.653 -6.020 6.268 1.00 0.00 C ATOM 771 O VAL A 49 21.171 -5.606 5.214 1.00 0.00 O ATOM 772 CB VAL A 49 22.766 -8.275 6.302 1.00 0.00 C ATOM 773 CG1 VAL A 49 21.853 -8.711 5.161 1.00 0.00 C ATOM 774 CG2 VAL A 49 24.092 -9.012 6.218 1.00 0.00 C ATOM 0 H VAL A 49 24.078 -7.050 8.052 1.00 0.00 H new ATOM 0 HA VAL A 49 23.546 -6.497 5.372 1.00 0.00 H new ATOM 0 HB VAL A 49 22.278 -8.526 7.244 1.00 0.00 H new ATOM 0 HG11 VAL A 49 21.709 -9.791 5.202 1.00 0.00 H new ATOM 0 HG12 VAL A 49 20.888 -8.212 5.256 1.00 0.00 H new ATOM 0 HG13 VAL A 49 22.308 -8.442 4.208 1.00 0.00 H new ATOM 0 HG21 VAL A 49 23.912 -10.087 6.235 1.00 0.00 H new ATOM 0 HG22 VAL A 49 24.600 -8.743 5.292 1.00 0.00 H new ATOM 0 HG23 VAL A 49 24.717 -8.735 7.067 1.00 0.00 H new ATOM 784 N TRP A 50 21.061 -5.853 7.446 1.00 0.00 N ATOM 785 CA TRP A 50 19.802 -5.127 7.574 1.00 0.00 C ATOM 786 C TRP A 50 19.957 -3.686 7.098 1.00 0.00 C ATOM 787 O TRP A 50 19.107 -3.165 6.371 1.00 0.00 O ATOM 788 CB TRP A 50 19.308 -5.152 9.020 1.00 0.00 C ATOM 789 CG TRP A 50 18.767 -6.483 9.438 1.00 0.00 C ATOM 790 CD1 TRP A 50 18.221 -7.430 8.626 1.00 0.00 C ATOM 791 CD2 TRP A 50 18.707 -7.008 10.769 1.00 0.00 C ATOM 792 NE1 TRP A 50 17.813 -8.511 9.368 1.00 0.00 N ATOM 793 CE2 TRP A 50 18.107 -8.280 10.688 1.00 0.00 C ATOM 794 CE3 TRP A 50 19.102 -6.531 12.020 1.00 0.00 C ATOM 795 CZ2 TRP A 50 17.893 -9.075 11.813 1.00 0.00 C ATOM 796 CZ3 TRP A 50 18.891 -7.320 13.134 1.00 0.00 C ATOM 797 CH2 TRP A 50 18.291 -8.581 13.025 1.00 0.00 C ATOM 0 H TRP A 50 21.433 -6.211 8.326 1.00 0.00 H new ATOM 0 HA TRP A 50 19.063 -5.623 6.945 1.00 0.00 H new ATOM 0 HB2 TRP A 50 20.129 -4.877 9.682 1.00 0.00 H new ATOM 0 HB3 TRP A 50 18.532 -4.397 9.145 1.00 0.00 H new ATOM 0 HD1 TRP A 50 18.123 -7.343 7.554 1.00 0.00 H new ATOM 0 HE1 TRP A 50 17.364 -9.349 8.998 1.00 0.00 H new ATOM 0 HE3 TRP A 50 19.565 -5.560 12.115 1.00 0.00 H new ATOM 0 HZ2 TRP A 50 17.429 -10.047 11.731 1.00 0.00 H new ATOM 0 HZ3 TRP A 50 19.194 -6.958 14.106 1.00 0.00 H new ATOM 0 HH2 TRP A 50 18.140 -9.174 13.915 1.00 0.00 H new ATOM 808 N VAL A 51 21.050 -3.052 7.503 1.00 0.00 N ATOM 809 CA VAL A 51 21.357 -1.699 7.058 1.00 0.00 C ATOM 810 C VAL A 51 21.529 -1.671 5.543 1.00 0.00 C ATOM 811 O VAL A 51 20.957 -0.826 4.856 1.00 0.00 O ATOM 812 CB VAL A 51 22.637 -1.158 7.733 1.00 0.00 C ATOM 813 CG1 VAL A 51 22.936 0.263 7.276 1.00 0.00 C ATOM 814 CG2 VAL A 51 22.510 -1.215 9.247 1.00 0.00 C ATOM 0 H VAL A 51 21.739 -3.453 8.139 1.00 0.00 H new ATOM 0 HA VAL A 51 20.522 -1.059 7.345 1.00 0.00 H new ATOM 0 HB VAL A 51 23.470 -1.793 7.432 1.00 0.00 H new ATOM 0 HG11 VAL A 51 23.842 0.620 7.766 1.00 0.00 H new ATOM 0 HG12 VAL A 51 23.079 0.275 6.196 1.00 0.00 H new ATOM 0 HG13 VAL A 51 22.101 0.913 7.539 1.00 0.00 H new ATOM 0 HG21 VAL A 51 23.422 -0.830 9.703 1.00 0.00 H new ATOM 0 HG22 VAL A 51 21.661 -0.609 9.564 1.00 0.00 H new ATOM 0 HG23 VAL A 51 22.356 -2.247 9.561 1.00 0.00 H new ATOM 824 N ARG A 52 22.289 -2.633 5.035 1.00 0.00 N ATOM 825 CA ARG A 52 22.563 -2.738 3.607 1.00 0.00 C ATOM 826 C ARG A 52 21.286 -2.929 2.797 1.00 0.00 C ATOM 827 O ARG A 52 21.116 -2.317 1.742 1.00 0.00 O ATOM 828 CB ARG A 52 23.527 -3.891 3.337 1.00 0.00 C ATOM 829 CG ARG A 52 24.964 -3.572 3.704 1.00 0.00 C ATOM 830 CD ARG A 52 25.476 -2.382 2.912 1.00 0.00 C ATOM 831 NE ARG A 52 25.299 -2.583 1.474 1.00 0.00 N ATOM 832 CZ ARG A 52 25.116 -1.600 0.597 1.00 0.00 C ATOM 833 NH1 ARG A 52 25.087 -0.338 0.997 1.00 0.00 N ATOM 834 NH2 ARG A 52 24.938 -1.886 -0.685 1.00 0.00 N ATOM 0 H ARG A 52 22.731 -3.359 5.598 1.00 0.00 H new ATOM 0 HA ARG A 52 23.021 -1.800 3.292 1.00 0.00 H new ATOM 0 HB2 ARG A 52 23.202 -4.766 3.899 1.00 0.00 H new ATOM 0 HB3 ARG A 52 23.479 -4.155 2.281 1.00 0.00 H new ATOM 0 HG2 ARG A 52 25.032 -3.360 4.771 1.00 0.00 H new ATOM 0 HG3 ARG A 52 25.594 -4.440 3.511 1.00 0.00 H new ATOM 0 HD2 ARG A 52 24.947 -1.481 3.223 1.00 0.00 H new ATOM 0 HD3 ARG A 52 26.532 -2.224 3.132 1.00 0.00 H new ATOM 0 HE ARG A 52 25.317 -3.540 1.121 1.00 0.00 H new ATOM 0 HH11 ARG A 52 25.206 -0.113 1.985 1.00 0.00 H new ATOM 0 HH12 ARG A 52 24.946 0.409 0.317 1.00 0.00 H new ATOM 0 HH21 ARG A 52 24.942 -2.857 -0.996 1.00 0.00 H new ATOM 0 HH22 ARG A 52 24.797 -1.135 -1.360 1.00 0.00 H new ATOM 848 N GLN A 53 20.389 -3.776 3.289 1.00 0.00 N ATOM 849 CA GLN A 53 19.128 -4.023 2.602 1.00 0.00 C ATOM 850 C GLN A 53 18.255 -2.777 2.612 1.00 0.00 C ATOM 851 O GLN A 53 17.425 -2.589 1.728 1.00 0.00 O ATOM 852 CB GLN A 53 18.381 -5.206 3.226 1.00 0.00 C ATOM 853 CG GLN A 53 19.113 -6.529 3.061 1.00 0.00 C ATOM 854 CD GLN A 53 19.382 -6.879 1.608 1.00 0.00 C ATOM 855 OE1 GLN A 53 20.412 -6.501 1.043 1.00 0.00 O ATOM 856 NE2 GLN A 53 18.465 -7.611 0.998 1.00 0.00 N ATOM 0 H GLN A 53 20.511 -4.300 4.156 1.00 0.00 H new ATOM 0 HA GLN A 53 19.357 -4.276 1.567 1.00 0.00 H new ATOM 0 HB2 GLN A 53 18.228 -5.012 4.288 1.00 0.00 H new ATOM 0 HB3 GLN A 53 17.394 -5.285 2.771 1.00 0.00 H new ATOM 0 HG2 GLN A 53 20.059 -6.484 3.600 1.00 0.00 H new ATOM 0 HG3 GLN A 53 18.523 -7.324 3.518 1.00 0.00 H new ATOM 0 HE21 GLN A 53 17.627 -7.903 1.502 1.00 0.00 H new ATOM 0 HE22 GLN A 53 18.595 -7.884 0.024 1.00 0.00 H new ATOM 865 N HIS A 54 18.460 -1.916 3.602 1.00 0.00 N ATOM 866 CA HIS A 54 17.759 -0.641 3.651 1.00 0.00 C ATOM 867 C HIS A 54 18.402 0.364 2.704 1.00 0.00 C ATOM 868 O HIS A 54 17.724 1.232 2.154 1.00 0.00 O ATOM 869 CB HIS A 54 17.717 -0.078 5.072 1.00 0.00 C ATOM 870 CG HIS A 54 16.523 -0.527 5.858 1.00 0.00 C ATOM 871 ND1 HIS A 54 16.315 -1.635 6.606 1.00 0.00 N flip ATOM 872 CD2 HIS A 54 15.355 0.198 5.927 1.00 0.00 C flip ATOM 873 CE1 HIS A 54 15.041 -1.556 7.113 1.00 0.00 C flip ATOM 874 NE2 HIS A 54 14.488 -0.435 6.689 1.00 0.00 N flip ATOM 0 H HIS A 54 19.103 -2.077 4.377 1.00 0.00 H new ATOM 0 HA HIS A 54 16.733 -0.819 3.330 1.00 0.00 H new ATOM 0 HB2 HIS A 54 18.623 -0.377 5.600 1.00 0.00 H new ATOM 0 HB3 HIS A 54 17.721 1.011 5.023 1.00 0.00 H new ATOM 0 HD1 HIS A 54 16.982 -2.390 6.764 1.00 0.00 H new ATOM 0 HD2 HIS A 54 15.177 1.141 5.432 1.00 0.00 H new ATOM 0 HE1 HIS A 54 14.570 -2.289 7.752 1.00 0.00 H new ATOM 883 N GLU A 55 19.712 0.244 2.504 1.00 0.00 N ATOM 884 CA GLU A 55 20.407 1.085 1.539 1.00 0.00 C ATOM 885 C GLU A 55 19.976 0.720 0.123 1.00 0.00 C ATOM 886 O GLU A 55 19.753 1.596 -0.711 1.00 0.00 O ATOM 887 CB GLU A 55 21.928 0.970 1.686 1.00 0.00 C ATOM 888 CG GLU A 55 22.453 1.499 3.012 1.00 0.00 C ATOM 889 CD GLU A 55 23.959 1.661 3.015 1.00 0.00 C ATOM 890 OE1 GLU A 55 24.443 2.723 2.571 1.00 0.00 O ATOM 891 OE2 GLU A 55 24.671 0.724 3.437 1.00 0.00 O ATOM 0 H GLU A 55 20.308 -0.423 2.994 1.00 0.00 H new ATOM 0 HA GLU A 55 20.136 2.122 1.737 1.00 0.00 H new ATOM 0 HB2 GLU A 55 22.217 -0.076 1.582 1.00 0.00 H new ATOM 0 HB3 GLU A 55 22.406 1.515 0.872 1.00 0.00 H new ATOM 0 HG2 GLU A 55 21.987 2.461 3.226 1.00 0.00 H new ATOM 0 HG3 GLU A 55 22.162 0.818 3.812 1.00 0.00 H new ATOM 898 N ARG A 56 19.848 -0.579 -0.139 1.00 0.00 N ATOM 899 CA ARG A 56 19.320 -1.047 -1.419 1.00 0.00 C ATOM 900 C ARG A 56 17.850 -0.666 -1.555 1.00 0.00 C ATOM 901 O ARG A 56 17.382 -0.320 -2.637 1.00 0.00 O ATOM 902 CB ARG A 56 19.478 -2.566 -1.561 1.00 0.00 C ATOM 903 CG ARG A 56 18.810 -3.126 -2.810 1.00 0.00 C ATOM 904 CD ARG A 56 19.010 -4.626 -2.949 1.00 0.00 C ATOM 905 NE ARG A 56 18.209 -5.180 -4.044 1.00 0.00 N ATOM 906 CZ ARG A 56 18.716 -5.624 -5.197 1.00 0.00 C ATOM 907 NH1 ARG A 56 20.020 -5.546 -5.430 1.00 0.00 N ATOM 908 NH2 ARG A 56 17.919 -6.127 -6.132 1.00 0.00 N ATOM 0 H ARG A 56 20.101 -1.322 0.513 1.00 0.00 H new ATOM 0 HA ARG A 56 19.892 -0.566 -2.213 1.00 0.00 H new ATOM 0 HB2 ARG A 56 20.539 -2.814 -1.583 1.00 0.00 H new ATOM 0 HB3 ARG A 56 19.055 -3.052 -0.682 1.00 0.00 H new ATOM 0 HG2 ARG A 56 17.743 -2.906 -2.778 1.00 0.00 H new ATOM 0 HG3 ARG A 56 19.213 -2.625 -3.690 1.00 0.00 H new ATOM 0 HD2 ARG A 56 20.064 -4.838 -3.126 1.00 0.00 H new ATOM 0 HD3 ARG A 56 18.739 -5.118 -2.015 1.00 0.00 H new ATOM 0 HE ARG A 56 17.198 -5.230 -3.917 1.00 0.00 H new ATOM 0 HH11 ARG A 56 20.641 -5.145 -4.727 1.00 0.00 H new ATOM 0 HH12 ARG A 56 20.402 -5.887 -6.312 1.00 0.00 H new ATOM 0 HH21 ARG A 56 16.913 -6.176 -5.972 1.00 0.00 H new ATOM 0 HH22 ARG A 56 18.313 -6.464 -7.010 1.00 0.00 H new ATOM 922 N ASP A 57 17.128 -0.748 -0.445 1.00 0.00 N ATOM 923 CA ASP A 57 15.723 -0.349 -0.404 1.00 0.00 C ATOM 924 C ASP A 57 15.567 1.106 -0.820 1.00 0.00 C ATOM 925 O ASP A 57 14.769 1.432 -1.701 1.00 0.00 O ATOM 926 CB ASP A 57 15.156 -0.553 1.004 1.00 0.00 C ATOM 927 CG ASP A 57 13.787 0.072 1.186 1.00 0.00 C ATOM 928 OD1 ASP A 57 12.780 -0.572 0.828 1.00 0.00 O ATOM 929 OD2 ASP A 57 13.712 1.206 1.704 1.00 0.00 O ATOM 0 H ASP A 57 17.493 -1.089 0.445 1.00 0.00 H new ATOM 0 HA ASP A 57 15.168 -0.973 -1.105 1.00 0.00 H new ATOM 0 HB2 ASP A 57 15.093 -1.621 1.213 1.00 0.00 H new ATOM 0 HB3 ASP A 57 15.845 -0.125 1.733 1.00 0.00 H new ATOM 934 N THR A 58 16.352 1.971 -0.194 1.00 0.00 N ATOM 935 CA THR A 58 16.302 3.394 -0.476 1.00 0.00 C ATOM 936 C THR A 58 16.891 3.692 -1.860 1.00 0.00 C ATOM 937 O THR A 58 16.445 4.608 -2.551 1.00 0.00 O ATOM 938 CB THR A 58 17.060 4.195 0.605 1.00 0.00 C ATOM 939 OG1 THR A 58 16.674 3.740 1.912 1.00 0.00 O ATOM 940 CG2 THR A 58 16.763 5.681 0.492 1.00 0.00 C ATOM 0 H THR A 58 17.035 1.707 0.517 1.00 0.00 H new ATOM 0 HA THR A 58 15.256 3.701 -0.466 1.00 0.00 H new ATOM 0 HB THR A 58 18.128 4.036 0.454 1.00 0.00 H new ATOM 0 HG1 THR A 58 17.089 2.870 2.091 1.00 0.00 H new ATOM 0 HG21 THR A 58 17.310 6.221 1.265 1.00 0.00 H new ATOM 0 HG22 THR A 58 17.072 6.040 -0.489 1.00 0.00 H new ATOM 0 HG23 THR A 58 15.694 5.849 0.619 1.00 0.00 H new ATOM 948 N GLY A 59 17.886 2.912 -2.258 1.00 0.00 N ATOM 949 CA GLY A 59 18.466 3.062 -3.578 1.00 0.00 C ATOM 950 C GLY A 59 19.754 3.855 -3.552 1.00 0.00 C ATOM 951 O GLY A 59 20.844 3.282 -3.500 1.00 0.00 O ATOM 0 H GLY A 59 18.303 2.176 -1.689 1.00 0.00 H new ATOM 0 HA2 GLY A 59 18.657 2.076 -4.003 1.00 0.00 H new ATOM 0 HA3 GLY A 59 17.750 3.558 -4.233 1.00 0.00 H new ATOM 955 N GLY A 60 19.628 5.172 -3.589 1.00 0.00 N ATOM 956 CA GLY A 60 20.790 6.032 -3.534 1.00 0.00 C ATOM 957 C GLY A 60 21.283 6.421 -4.909 1.00 0.00 C ATOM 958 O GLY A 60 21.901 5.611 -5.606 1.00 0.00 O ATOM 0 H GLY A 60 18.736 5.663 -3.657 1.00 0.00 H new ATOM 0 HA2 GLY A 60 20.546 6.932 -2.970 1.00 0.00 H new ATOM 0 HA3 GLY A 60 21.589 5.524 -2.994 1.00 0.00 H new ATOM 962 N ASP A 61 20.989 7.649 -5.312 1.00 0.00 N ATOM 963 CA ASP A 61 21.468 8.175 -6.585 1.00 0.00 C ATOM 964 C ASP A 61 22.971 8.433 -6.519 1.00 0.00 C ATOM 965 O ASP A 61 23.766 7.637 -7.025 1.00 0.00 O ATOM 966 CB ASP A 61 20.722 9.464 -6.946 1.00 0.00 C ATOM 967 CG ASP A 61 21.239 10.106 -8.221 1.00 0.00 C ATOM 968 OD1 ASP A 61 20.856 9.654 -9.314 1.00 0.00 O ATOM 969 OD2 ASP A 61 22.024 11.077 -8.128 1.00 0.00 O ATOM 0 H ASP A 61 20.419 8.303 -4.775 1.00 0.00 H new ATOM 0 HA ASP A 61 21.275 7.434 -7.361 1.00 0.00 H new ATOM 0 HB2 ASP A 61 19.660 9.244 -7.060 1.00 0.00 H new ATOM 0 HB3 ASP A 61 20.814 10.174 -6.124 1.00 0.00 H new ATOM 974 N ASP A 62 23.344 9.542 -5.882 1.00 0.00 N ATOM 975 CA ASP A 62 24.749 9.912 -5.684 1.00 0.00 C ATOM 976 C ASP A 62 25.494 10.065 -7.008 1.00 0.00 C ATOM 977 O ASP A 62 26.727 10.020 -7.046 1.00 0.00 O ATOM 978 CB ASP A 62 25.467 8.891 -4.792 1.00 0.00 C ATOM 979 CG ASP A 62 25.009 8.971 -3.352 1.00 0.00 C ATOM 980 OD1 ASP A 62 25.532 9.827 -2.606 1.00 0.00 O ATOM 981 OD2 ASP A 62 24.113 8.196 -2.962 1.00 0.00 O ATOM 0 H ASP A 62 22.682 10.211 -5.488 1.00 0.00 H new ATOM 0 HA ASP A 62 24.752 10.881 -5.185 1.00 0.00 H new ATOM 0 HB2 ASP A 62 25.286 7.886 -5.174 1.00 0.00 H new ATOM 0 HB3 ASP A 62 26.543 9.062 -4.840 1.00 0.00 H new ATOM 986 N GLY A 63 24.749 10.282 -8.083 1.00 0.00 N ATOM 987 CA GLY A 63 25.356 10.465 -9.384 1.00 0.00 C ATOM 988 C GLY A 63 25.157 9.267 -10.292 1.00 0.00 C ATOM 989 O GLY A 63 24.083 8.657 -10.304 1.00 0.00 O ATOM 0 H GLY A 63 23.730 10.335 -8.076 1.00 0.00 H new ATOM 0 HA2 GLY A 63 24.932 11.350 -9.858 1.00 0.00 H new ATOM 0 HA3 GLY A 63 26.423 10.650 -9.261 1.00 0.00 H new ATOM 993 N GLY A 64 26.194 8.915 -11.035 1.00 0.00 N ATOM 994 CA GLY A 64 26.101 7.826 -11.985 1.00 0.00 C ATOM 995 C GLY A 64 27.041 8.018 -13.156 1.00 0.00 C ATOM 996 O GLY A 64 27.155 9.126 -13.692 1.00 0.00 O ATOM 0 H GLY A 64 27.107 9.369 -10.996 1.00 0.00 H new ATOM 0 HA2 GLY A 64 26.332 6.886 -11.484 1.00 0.00 H new ATOM 0 HA3 GLY A 64 25.077 7.749 -12.350 1.00 0.00 H new ATOM 1000 N LEU A 65 27.720 6.949 -13.546 1.00 0.00 N ATOM 1001 CA LEU A 65 28.650 6.995 -14.663 1.00 0.00 C ATOM 1002 C LEU A 65 27.964 6.526 -15.937 1.00 0.00 C ATOM 1003 O LEU A 65 26.975 5.795 -15.884 1.00 0.00 O ATOM 1004 CB LEU A 65 29.878 6.125 -14.375 1.00 0.00 C ATOM 1005 CG LEU A 65 30.708 6.540 -13.160 1.00 0.00 C ATOM 1006 CD1 LEU A 65 31.867 5.577 -12.955 1.00 0.00 C ATOM 1007 CD2 LEU A 65 31.218 7.965 -13.324 1.00 0.00 C ATOM 0 H LEU A 65 27.643 6.034 -13.102 1.00 0.00 H new ATOM 0 HA LEU A 65 28.978 8.026 -14.798 1.00 0.00 H new ATOM 0 HB2 LEU A 65 29.547 5.096 -14.233 1.00 0.00 H new ATOM 0 HB3 LEU A 65 30.523 6.134 -15.254 1.00 0.00 H new ATOM 0 HG LEU A 65 30.070 6.504 -12.277 1.00 0.00 H new ATOM 0 HD11 LEU A 65 32.448 5.887 -12.086 1.00 0.00 H new ATOM 0 HD12 LEU A 65 31.480 4.571 -12.793 1.00 0.00 H new ATOM 0 HD13 LEU A 65 32.505 5.582 -13.839 1.00 0.00 H new ATOM 0 HD21 LEU A 65 31.807 8.244 -12.450 1.00 0.00 H new ATOM 0 HD22 LEU A 65 31.841 8.028 -14.216 1.00 0.00 H new ATOM 0 HD23 LEU A 65 30.372 8.645 -13.423 1.00 0.00 H new ATOM 1019 N THR A 66 28.490 6.947 -17.076 1.00 0.00 N ATOM 1020 CA THR A 66 27.906 6.590 -18.362 1.00 0.00 C ATOM 1021 C THR A 66 28.484 5.265 -18.874 1.00 0.00 C ATOM 1022 O THR A 66 28.061 4.742 -19.906 1.00 0.00 O ATOM 1023 CB THR A 66 28.140 7.711 -19.406 1.00 0.00 C ATOM 1024 OG1 THR A 66 27.280 7.529 -20.535 1.00 0.00 O ATOM 1025 CG2 THR A 66 29.590 7.738 -19.872 1.00 0.00 C ATOM 0 H THR A 66 29.320 7.536 -17.138 1.00 0.00 H new ATOM 0 HA THR A 66 26.832 6.469 -18.218 1.00 0.00 H new ATOM 0 HB THR A 66 27.912 8.662 -18.925 1.00 0.00 H new ATOM 0 HG1 THR A 66 27.229 6.576 -20.757 1.00 0.00 H new ATOM 0 HG21 THR A 66 29.722 8.535 -20.604 1.00 0.00 H new ATOM 0 HG22 THR A 66 30.243 7.917 -19.018 1.00 0.00 H new ATOM 0 HG23 THR A 66 29.843 6.781 -20.328 1.00 0.00 H new ATOM 1033 N THR A 67 29.446 4.721 -18.136 1.00 0.00 N ATOM 1034 CA THR A 67 30.090 3.476 -18.516 1.00 0.00 C ATOM 1035 C THR A 67 29.202 2.266 -18.236 1.00 0.00 C ATOM 1036 O THR A 67 29.220 1.707 -17.139 1.00 0.00 O ATOM 1037 CB THR A 67 31.435 3.309 -17.788 1.00 0.00 C ATOM 1038 OG1 THR A 67 31.381 3.967 -16.511 1.00 0.00 O ATOM 1039 CG2 THR A 67 32.571 3.879 -18.621 1.00 0.00 C ATOM 0 H THR A 67 29.796 5.127 -17.268 1.00 0.00 H new ATOM 0 HA THR A 67 30.266 3.527 -19.590 1.00 0.00 H new ATOM 0 HB THR A 67 31.621 2.245 -17.638 1.00 0.00 H new ATOM 0 HG1 THR A 67 32.239 3.857 -16.050 1.00 0.00 H new ATOM 0 HG21 THR A 67 33.513 3.751 -18.088 1.00 0.00 H new ATOM 0 HG22 THR A 67 32.620 3.356 -19.576 1.00 0.00 H new ATOM 0 HG23 THR A 67 32.396 4.940 -18.798 1.00 0.00 H new ATOM 1047 N ALA A 68 28.399 1.897 -19.222 1.00 0.00 N ATOM 1048 CA ALA A 68 27.606 0.681 -19.140 1.00 0.00 C ATOM 1049 C ALA A 68 28.519 -0.529 -19.250 1.00 0.00 C ATOM 1050 O ALA A 68 29.546 -0.471 -19.932 1.00 0.00 O ATOM 1051 CB ALA A 68 26.550 0.657 -20.232 1.00 0.00 C ATOM 0 H ALA A 68 28.279 2.422 -20.088 1.00 0.00 H new ATOM 0 HA ALA A 68 27.094 0.653 -18.178 1.00 0.00 H new ATOM 0 HB1 ALA A 68 25.967 -0.261 -20.154 1.00 0.00 H new ATOM 0 HB2 ALA A 68 25.890 1.517 -20.119 1.00 0.00 H new ATOM 0 HB3 ALA A 68 27.034 0.697 -21.208 1.00 0.00 H new ATOM 1057 N GLU A 69 28.149 -1.610 -18.576 1.00 0.00 N ATOM 1058 CA GLU A 69 28.960 -2.820 -18.553 1.00 0.00 C ATOM 1059 C GLU A 69 29.204 -3.325 -19.967 1.00 0.00 C ATOM 1060 O GLU A 69 30.340 -3.638 -20.331 1.00 0.00 O ATOM 1061 CB GLU A 69 28.295 -3.926 -17.721 1.00 0.00 C ATOM 1062 CG GLU A 69 28.043 -3.561 -16.265 1.00 0.00 C ATOM 1063 CD GLU A 69 26.797 -2.712 -16.065 1.00 0.00 C ATOM 1064 OE1 GLU A 69 26.132 -2.369 -17.063 1.00 0.00 O ATOM 1065 OE2 GLU A 69 26.468 -2.396 -14.904 1.00 0.00 O ATOM 0 H GLU A 69 27.287 -1.673 -18.035 1.00 0.00 H new ATOM 0 HA GLU A 69 29.913 -2.565 -18.089 1.00 0.00 H new ATOM 0 HB2 GLU A 69 27.345 -4.190 -18.185 1.00 0.00 H new ATOM 0 HB3 GLU A 69 28.924 -4.816 -17.755 1.00 0.00 H new ATOM 0 HG2 GLU A 69 27.949 -4.475 -15.679 1.00 0.00 H new ATOM 0 HG3 GLU A 69 28.908 -3.022 -15.878 1.00 0.00 H new ATOM 1072 N ARG A 70 28.124 -3.418 -20.746 1.00 0.00 N ATOM 1073 CA ARG A 70 28.186 -3.831 -22.152 1.00 0.00 C ATOM 1074 C ARG A 70 28.588 -5.304 -22.274 1.00 0.00 C ATOM 1075 O ARG A 70 28.771 -5.825 -23.375 1.00 0.00 O ATOM 1076 CB ARG A 70 29.166 -2.941 -22.933 1.00 0.00 C ATOM 1077 CG ARG A 70 29.088 -3.108 -24.443 1.00 0.00 C ATOM 1078 CD ARG A 70 30.184 -2.330 -25.155 1.00 0.00 C ATOM 1079 NE ARG A 70 30.141 -0.899 -24.850 1.00 0.00 N ATOM 1080 CZ ARG A 70 29.763 0.035 -25.722 1.00 0.00 C ATOM 1081 NH1 ARG A 70 29.355 -0.310 -26.936 1.00 0.00 N ATOM 1082 NH2 ARG A 70 29.796 1.315 -25.377 1.00 0.00 N ATOM 0 H ARG A 70 27.180 -3.209 -20.420 1.00 0.00 H new ATOM 0 HA ARG A 70 27.191 -3.714 -22.582 1.00 0.00 H new ATOM 0 HB2 ARG A 70 28.971 -1.898 -22.683 1.00 0.00 H new ATOM 0 HB3 ARG A 70 30.182 -3.163 -22.606 1.00 0.00 H new ATOM 0 HG2 ARG A 70 29.169 -4.165 -24.696 1.00 0.00 H new ATOM 0 HG3 ARG A 70 28.114 -2.770 -24.796 1.00 0.00 H new ATOM 0 HD2 ARG A 70 31.156 -2.731 -24.867 1.00 0.00 H new ATOM 0 HD3 ARG A 70 30.086 -2.472 -26.231 1.00 0.00 H new ATOM 0 HE ARG A 70 30.417 -0.599 -23.915 1.00 0.00 H new ATOM 0 HH11 ARG A 70 29.330 -1.294 -27.205 1.00 0.00 H new ATOM 0 HH12 ARG A 70 29.067 0.408 -27.600 1.00 0.00 H new ATOM 0 HH21 ARG A 70 30.111 1.584 -24.445 1.00 0.00 H new ATOM 0 HH22 ARG A 70 29.507 2.031 -26.044 1.00 0.00 H new ATOM 1096 N GLN A 71 28.707 -5.977 -21.138 1.00 0.00 N ATOM 1097 CA GLN A 71 29.121 -7.369 -21.120 1.00 0.00 C ATOM 1098 C GLN A 71 27.959 -8.268 -21.506 1.00 0.00 C ATOM 1099 O GLN A 71 27.060 -8.525 -20.704 1.00 0.00 O ATOM 1100 CB GLN A 71 29.658 -7.750 -19.739 1.00 0.00 C ATOM 1101 CG GLN A 71 30.819 -6.879 -19.284 1.00 0.00 C ATOM 1102 CD GLN A 71 31.399 -7.324 -17.957 1.00 0.00 C ATOM 1103 OE1 GLN A 71 31.385 -8.509 -17.623 1.00 0.00 O ATOM 1104 NE2 GLN A 71 31.909 -6.375 -17.187 1.00 0.00 N ATOM 0 H GLN A 71 28.522 -5.579 -20.217 1.00 0.00 H new ATOM 0 HA GLN A 71 29.921 -7.504 -21.848 1.00 0.00 H new ATOM 0 HB2 GLN A 71 28.851 -7.677 -19.010 1.00 0.00 H new ATOM 0 HB3 GLN A 71 29.979 -8.792 -19.756 1.00 0.00 H new ATOM 0 HG2 GLN A 71 31.601 -6.898 -20.043 1.00 0.00 H new ATOM 0 HG3 GLN A 71 30.482 -5.846 -19.200 1.00 0.00 H new ATOM 0 HE21 GLN A 71 31.901 -5.405 -17.501 1.00 0.00 H new ATOM 0 HE22 GLN A 71 32.310 -6.615 -16.280 1.00 0.00 H new ATOM 1113 N ARG A 72 27.970 -8.721 -22.748 1.00 0.00 N ATOM 1114 CA ARG A 72 26.913 -9.566 -23.269 1.00 0.00 C ATOM 1115 C ARG A 72 27.256 -11.025 -23.003 1.00 0.00 C ATOM 1116 O ARG A 72 28.223 -11.558 -23.551 1.00 0.00 O ATOM 1117 CB ARG A 72 26.723 -9.295 -24.763 1.00 0.00 C ATOM 1118 CG ARG A 72 26.401 -7.835 -25.060 1.00 0.00 C ATOM 1119 CD ARG A 72 26.379 -7.544 -26.553 1.00 0.00 C ATOM 1120 NE ARG A 72 26.196 -6.115 -26.828 1.00 0.00 N ATOM 1121 CZ ARG A 72 26.747 -5.476 -27.863 1.00 0.00 C ATOM 1122 NH1 ARG A 72 27.500 -6.133 -28.734 1.00 0.00 N ATOM 1123 NH2 ARG A 72 26.546 -4.174 -28.025 1.00 0.00 N ATOM 0 H ARG A 72 28.709 -8.514 -23.420 1.00 0.00 H new ATOM 0 HA ARG A 72 25.972 -9.341 -22.768 1.00 0.00 H new ATOM 0 HB2 ARG A 72 27.629 -9.579 -25.298 1.00 0.00 H new ATOM 0 HB3 ARG A 72 25.918 -9.925 -25.143 1.00 0.00 H new ATOM 0 HG2 ARG A 72 25.432 -7.583 -24.628 1.00 0.00 H new ATOM 0 HG3 ARG A 72 27.141 -7.196 -24.578 1.00 0.00 H new ATOM 0 HD2 ARG A 72 27.312 -7.884 -27.003 1.00 0.00 H new ATOM 0 HD3 ARG A 72 25.574 -8.110 -27.022 1.00 0.00 H new ATOM 0 HE ARG A 72 25.612 -5.576 -26.189 1.00 0.00 H new ATOM 0 HH11 ARG A 72 27.662 -7.133 -28.616 1.00 0.00 H new ATOM 0 HH12 ARG A 72 27.918 -5.638 -29.522 1.00 0.00 H new ATOM 0 HH21 ARG A 72 25.970 -3.660 -27.358 1.00 0.00 H new ATOM 0 HH22 ARG A 72 26.968 -3.687 -28.816 1.00 0.00 H new ATOM 1137 N LEU A 73 26.455 -11.663 -22.161 1.00 0.00 N ATOM 1138 CA LEU A 73 26.766 -12.992 -21.638 1.00 0.00 C ATOM 1139 C LEU A 73 26.376 -14.096 -22.628 1.00 0.00 C ATOM 1140 O LEU A 73 25.821 -15.128 -22.247 1.00 0.00 O ATOM 1141 CB LEU A 73 26.054 -13.194 -20.296 1.00 0.00 C ATOM 1142 CG LEU A 73 26.499 -14.422 -19.499 1.00 0.00 C ATOM 1143 CD1 LEU A 73 27.966 -14.312 -19.116 1.00 0.00 C ATOM 1144 CD2 LEU A 73 25.634 -14.586 -18.261 1.00 0.00 C ATOM 0 H LEU A 73 25.574 -11.278 -21.820 1.00 0.00 H new ATOM 0 HA LEU A 73 27.844 -13.058 -21.490 1.00 0.00 H new ATOM 0 HB2 LEU A 73 26.211 -12.307 -19.683 1.00 0.00 H new ATOM 0 HB3 LEU A 73 24.982 -13.269 -20.480 1.00 0.00 H new ATOM 0 HG LEU A 73 26.378 -15.305 -20.127 1.00 0.00 H new ATOM 0 HD11 LEU A 73 28.262 -15.195 -18.550 1.00 0.00 H new ATOM 0 HD12 LEU A 73 28.573 -14.239 -20.018 1.00 0.00 H new ATOM 0 HD13 LEU A 73 28.117 -13.422 -18.505 1.00 0.00 H new ATOM 0 HD21 LEU A 73 25.961 -15.463 -17.702 1.00 0.00 H new ATOM 0 HD22 LEU A 73 25.727 -13.700 -17.632 1.00 0.00 H new ATOM 0 HD23 LEU A 73 24.593 -14.712 -18.559 1.00 0.00 H new ATOM 1156 N LYS A 74 26.674 -13.864 -23.895 1.00 0.00 N ATOM 1157 CA LYS A 74 26.489 -14.861 -24.940 1.00 0.00 C ATOM 1158 C LYS A 74 27.591 -14.705 -25.978 1.00 0.00 C ATOM 1159 O LYS A 74 27.463 -13.898 -26.902 1.00 0.00 O ATOM 1160 CB LYS A 74 25.126 -14.729 -25.626 1.00 0.00 C ATOM 1161 CG LYS A 74 23.934 -15.048 -24.741 1.00 0.00 C ATOM 1162 CD LYS A 74 22.642 -15.022 -25.533 1.00 0.00 C ATOM 1163 CE LYS A 74 21.435 -15.230 -24.638 1.00 0.00 C ATOM 1164 NZ LYS A 74 20.172 -15.222 -25.416 1.00 0.00 N ATOM 0 H LYS A 74 27.052 -12.978 -24.230 1.00 0.00 H new ATOM 0 HA LYS A 74 26.533 -15.846 -24.475 1.00 0.00 H new ATOM 0 HB2 LYS A 74 25.021 -13.711 -26.000 1.00 0.00 H new ATOM 0 HB3 LYS A 74 25.105 -15.391 -26.492 1.00 0.00 H new ATOM 0 HG2 LYS A 74 24.066 -16.031 -24.288 1.00 0.00 H new ATOM 0 HG3 LYS A 74 23.879 -14.326 -23.926 1.00 0.00 H new ATOM 0 HD2 LYS A 74 22.551 -14.067 -26.051 1.00 0.00 H new ATOM 0 HD3 LYS A 74 22.667 -15.799 -26.297 1.00 0.00 H new ATOM 0 HE2 LYS A 74 21.532 -16.179 -24.110 1.00 0.00 H new ATOM 0 HE3 LYS A 74 21.402 -14.446 -23.882 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 19.367 -15.367 -24.773 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 20.068 -14.307 -25.900 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 20.194 -15.986 -26.121 1.00 0.00 H new ATOM 1178 N GLU A 75 28.681 -15.443 -25.792 1.00 0.00 N ATOM 1179 CA GLU A 75 29.826 -15.388 -26.701 1.00 0.00 C ATOM 1180 C GLU A 75 30.376 -13.967 -26.792 1.00 0.00 C ATOM 1181 O GLU A 75 30.143 -13.263 -27.777 1.00 0.00 O ATOM 1182 CB GLU A 75 29.437 -15.893 -28.091 1.00 0.00 C ATOM 1183 CG GLU A 75 29.129 -17.377 -28.132 1.00 0.00 C ATOM 1184 CD GLU A 75 30.364 -18.222 -27.922 1.00 0.00 C ATOM 1185 OE1 GLU A 75 31.091 -18.468 -28.908 1.00 0.00 O ATOM 1186 OE2 GLU A 75 30.620 -18.639 -26.774 1.00 0.00 O ATOM 0 H GLU A 75 28.798 -16.092 -25.014 1.00 0.00 H new ATOM 0 HA GLU A 75 30.605 -16.037 -26.301 1.00 0.00 H new ATOM 0 HB2 GLU A 75 28.565 -15.339 -28.439 1.00 0.00 H new ATOM 0 HB3 GLU A 75 30.248 -15.679 -28.787 1.00 0.00 H new ATOM 0 HG2 GLU A 75 28.393 -17.615 -27.364 1.00 0.00 H new ATOM 0 HG3 GLU A 75 28.679 -17.627 -29.093 1.00 0.00 H new ATOM 1193 N PRO A 76 31.100 -13.521 -25.754 1.00 0.00 N ATOM 1194 CA PRO A 76 31.627 -12.156 -25.685 1.00 0.00 C ATOM 1195 C PRO A 76 32.638 -11.870 -26.793 1.00 0.00 C ATOM 1196 O PRO A 76 33.480 -12.713 -27.116 1.00 0.00 O ATOM 1197 CB PRO A 76 32.303 -12.090 -24.310 1.00 0.00 C ATOM 1198 CG PRO A 76 32.564 -13.507 -23.934 1.00 0.00 C ATOM 1199 CD PRO A 76 31.465 -14.315 -24.567 1.00 0.00 C ATOM 0 HA PRO A 76 30.840 -11.413 -25.816 1.00 0.00 H new ATOM 0 HB2 PRO A 76 33.229 -11.517 -24.354 1.00 0.00 H new ATOM 0 HB3 PRO A 76 31.660 -11.601 -23.578 1.00 0.00 H new ATOM 0 HG2 PRO A 76 33.541 -13.831 -24.291 1.00 0.00 H new ATOM 0 HG3 PRO A 76 32.564 -13.629 -22.851 1.00 0.00 H new ATOM 0 HD2 PRO A 76 31.806 -15.313 -24.840 1.00 0.00 H new ATOM 0 HD3 PRO A 76 30.619 -14.441 -23.892 1.00 0.00 H new ATOM 1207 N GLU A 77 32.544 -10.676 -27.370 1.00 0.00 N ATOM 1208 CA GLU A 77 33.449 -10.264 -28.434 1.00 0.00 C ATOM 1209 C GLU A 77 34.819 -9.907 -27.874 1.00 0.00 C ATOM 1210 O GLU A 77 35.097 -8.755 -27.541 1.00 0.00 O ATOM 1211 CB GLU A 77 32.867 -9.083 -29.213 1.00 0.00 C ATOM 1212 CG GLU A 77 31.664 -9.454 -30.061 1.00 0.00 C ATOM 1213 CD GLU A 77 31.087 -8.267 -30.799 1.00 0.00 C ATOM 1214 OE1 GLU A 77 31.847 -7.574 -31.506 1.00 0.00 O ATOM 1215 OE2 GLU A 77 29.871 -8.018 -30.669 1.00 0.00 O ATOM 0 H GLU A 77 31.847 -9.976 -27.116 1.00 0.00 H new ATOM 0 HA GLU A 77 33.567 -11.104 -29.118 1.00 0.00 H new ATOM 0 HB2 GLU A 77 32.580 -8.300 -28.511 1.00 0.00 H new ATOM 0 HB3 GLU A 77 33.641 -8.665 -29.857 1.00 0.00 H new ATOM 0 HG2 GLU A 77 31.953 -10.220 -30.781 1.00 0.00 H new ATOM 0 HG3 GLU A 77 30.895 -9.890 -29.424 1.00 0.00 H new ATOM 1222 N ARG A 78 35.653 -10.924 -27.739 1.00 0.00 N ATOM 1223 CA ARG A 78 37.021 -10.751 -27.266 1.00 0.00 C ATOM 1224 C ARG A 78 37.985 -10.879 -28.437 1.00 0.00 C ATOM 1225 O ARG A 78 39.195 -10.714 -28.286 1.00 0.00 O ATOM 1226 CB ARG A 78 37.368 -11.829 -26.237 1.00 0.00 C ATOM 1227 CG ARG A 78 37.380 -13.219 -26.847 1.00 0.00 C ATOM 1228 CD ARG A 78 38.065 -14.240 -25.960 1.00 0.00 C ATOM 1229 NE ARG A 78 38.320 -15.479 -26.690 1.00 0.00 N ATOM 1230 CZ ARG A 78 39.227 -16.387 -26.335 1.00 0.00 C ATOM 1231 NH1 ARG A 78 39.949 -16.214 -25.232 1.00 0.00 N ATOM 1232 NH2 ARG A 78 39.409 -17.466 -27.087 1.00 0.00 N ATOM 0 H ARG A 78 35.405 -11.890 -27.952 1.00 0.00 H new ATOM 0 HA ARG A 78 37.106 -9.765 -26.808 1.00 0.00 H new ATOM 0 HB2 ARG A 78 38.345 -11.615 -25.804 1.00 0.00 H new ATOM 0 HB3 ARG A 78 36.645 -11.798 -25.422 1.00 0.00 H new ATOM 0 HG2 ARG A 78 36.355 -13.537 -27.036 1.00 0.00 H new ATOM 0 HG3 ARG A 78 37.886 -13.184 -27.812 1.00 0.00 H new ATOM 0 HD2 ARG A 78 39.005 -13.832 -25.589 1.00 0.00 H new ATOM 0 HD3 ARG A 78 37.442 -14.448 -25.090 1.00 0.00 H new ATOM 0 HE ARG A 78 37.767 -15.661 -27.527 1.00 0.00 H new ATOM 0 HH11 ARG A 78 39.809 -15.384 -24.656 1.00 0.00 H new ATOM 0 HH12 ARG A 78 40.643 -16.911 -24.962 1.00 0.00 H new ATOM 0 HH21 ARG A 78 38.855 -17.597 -27.933 1.00 0.00 H new ATOM 0 HH22 ARG A 78 40.103 -18.164 -26.818 1.00 0.00 H new ATOM 1246 N GLU A 79 37.429 -11.196 -29.599 1.00 0.00 N ATOM 1247 CA GLU A 79 38.223 -11.552 -30.763 1.00 0.00 C ATOM 1248 C GLU A 79 39.029 -10.362 -31.272 1.00 0.00 C ATOM 1249 O GLU A 79 38.471 -9.369 -31.743 1.00 0.00 O ATOM 1250 CB GLU A 79 37.311 -12.089 -31.865 1.00 0.00 C ATOM 1251 CG GLU A 79 38.031 -12.968 -32.868 1.00 0.00 C ATOM 1252 CD GLU A 79 38.783 -14.092 -32.191 1.00 0.00 C ATOM 1253 OE1 GLU A 79 38.132 -15.024 -31.674 1.00 0.00 O ATOM 1254 OE2 GLU A 79 40.028 -14.034 -32.150 1.00 0.00 O ATOM 0 H GLU A 79 36.422 -11.213 -29.759 1.00 0.00 H new ATOM 0 HA GLU A 79 38.931 -12.328 -30.470 1.00 0.00 H new ATOM 0 HB2 GLU A 79 36.501 -12.658 -31.410 1.00 0.00 H new ATOM 0 HB3 GLU A 79 36.855 -11.250 -32.390 1.00 0.00 H new ATOM 0 HG2 GLU A 79 37.309 -13.385 -33.570 1.00 0.00 H new ATOM 0 HG3 GLU A 79 38.727 -12.362 -33.448 1.00 0.00 H new ATOM 1261 N ASN A 80 40.346 -10.470 -31.161 1.00 0.00 N ATOM 1262 CA ASN A 80 41.246 -9.414 -31.606 1.00 0.00 C ATOM 1263 C ASN A 80 42.369 -9.994 -32.454 1.00 0.00 C ATOM 1264 O ASN A 80 43.446 -9.412 -32.552 1.00 0.00 O ATOM 1265 CB ASN A 80 41.828 -8.657 -30.403 1.00 0.00 C ATOM 1266 CG ASN A 80 40.847 -7.662 -29.809 1.00 0.00 C ATOM 1267 OD1 ASN A 80 40.796 -6.505 -30.222 1.00 0.00 O ATOM 1268 ND2 ASN A 80 40.061 -8.098 -28.836 1.00 0.00 N ATOM 0 H ASN A 80 40.817 -11.283 -30.764 1.00 0.00 H new ATOM 0 HA ASN A 80 40.675 -8.713 -32.214 1.00 0.00 H new ATOM 0 HB2 ASN A 80 42.123 -9.373 -29.636 1.00 0.00 H new ATOM 0 HB3 ASN A 80 42.731 -8.131 -30.712 1.00 0.00 H new ATOM 0 HD21 ASN A 80 39.386 -7.467 -28.404 1.00 0.00 H new ATOM 0 HD22 ASN A 80 40.131 -9.065 -28.519 1.00 0.00 H new ATOM 1275 N ARG A 81 42.102 -11.137 -33.081 1.00 0.00 N ATOM 1276 CA ARG A 81 43.082 -11.782 -33.954 1.00 0.00 C ATOM 1277 C ARG A 81 43.504 -10.865 -35.098 1.00 0.00 C ATOM 1278 O ARG A 81 44.684 -10.577 -35.268 1.00 0.00 O ATOM 1279 CB ARG A 81 42.520 -13.087 -34.523 1.00 0.00 C ATOM 1280 CG ARG A 81 42.766 -14.304 -33.646 1.00 0.00 C ATOM 1281 CD ARG A 81 42.116 -15.542 -34.244 1.00 0.00 C ATOM 1282 NE ARG A 81 42.497 -16.771 -33.544 1.00 0.00 N ATOM 1283 CZ ARG A 81 41.754 -17.353 -32.605 1.00 0.00 C ATOM 1284 NH1 ARG A 81 40.674 -16.744 -32.137 1.00 0.00 N ATOM 1285 NH2 ARG A 81 42.113 -18.530 -32.106 1.00 0.00 N ATOM 0 H ARG A 81 41.216 -11.636 -33.002 1.00 0.00 H new ATOM 0 HA ARG A 81 43.961 -12.001 -33.348 1.00 0.00 H new ATOM 0 HB2 ARG A 81 41.447 -12.972 -34.674 1.00 0.00 H new ATOM 0 HB3 ARG A 81 42.963 -13.264 -35.503 1.00 0.00 H new ATOM 0 HG2 ARG A 81 43.838 -14.468 -33.536 1.00 0.00 H new ATOM 0 HG3 ARG A 81 42.367 -14.125 -32.648 1.00 0.00 H new ATOM 0 HD2 ARG A 81 41.032 -15.431 -34.212 1.00 0.00 H new ATOM 0 HD3 ARG A 81 42.397 -15.624 -35.294 1.00 0.00 H new ATOM 0 HE ARG A 81 43.385 -17.207 -33.791 1.00 0.00 H new ATOM 0 HH11 ARG A 81 40.410 -15.827 -32.496 1.00 0.00 H new ATOM 0 HH12 ARG A 81 40.107 -17.193 -31.418 1.00 0.00 H new ATOM 0 HH21 ARG A 81 42.959 -18.990 -32.442 1.00 0.00 H new ATOM 0 HH22 ARG A 81 41.543 -18.974 -31.387 1.00 0.00 H new ATOM 1299 N GLU A 82 42.543 -10.410 -35.881 1.00 0.00 N ATOM 1300 CA GLU A 82 42.846 -9.557 -37.020 1.00 0.00 C ATOM 1301 C GLU A 82 43.071 -8.120 -36.563 1.00 0.00 C ATOM 1302 O GLU A 82 43.820 -7.362 -37.185 1.00 0.00 O ATOM 1303 CB GLU A 82 41.712 -9.627 -38.040 1.00 0.00 C ATOM 1304 CG GLU A 82 42.030 -8.957 -39.367 1.00 0.00 C ATOM 1305 CD GLU A 82 40.934 -9.158 -40.388 1.00 0.00 C ATOM 1306 OE1 GLU A 82 40.880 -10.245 -41.000 1.00 0.00 O ATOM 1307 OE2 GLU A 82 40.107 -8.242 -40.571 1.00 0.00 O ATOM 0 H GLU A 82 41.552 -10.614 -35.752 1.00 0.00 H new ATOM 0 HA GLU A 82 43.762 -9.911 -37.493 1.00 0.00 H new ATOM 0 HB2 GLU A 82 41.466 -10.673 -38.223 1.00 0.00 H new ATOM 0 HB3 GLU A 82 40.824 -9.161 -37.613 1.00 0.00 H new ATOM 0 HG2 GLU A 82 42.182 -7.890 -39.205 1.00 0.00 H new ATOM 0 HG3 GLU A 82 42.966 -9.356 -39.758 1.00 0.00 H new ATOM 1314 N LEU A 83 42.438 -7.755 -35.460 1.00 0.00 N ATOM 1315 CA LEU A 83 42.569 -6.412 -34.922 1.00 0.00 C ATOM 1316 C LEU A 83 43.815 -6.327 -34.041 1.00 0.00 C ATOM 1317 O LEU A 83 43.734 -6.344 -32.812 1.00 0.00 O ATOM 1318 CB LEU A 83 41.309 -6.022 -34.129 1.00 0.00 C ATOM 1319 CG LEU A 83 40.996 -4.518 -34.048 1.00 0.00 C ATOM 1320 CD1 LEU A 83 39.625 -4.306 -33.430 1.00 0.00 C ATOM 1321 CD2 LEU A 83 42.046 -3.772 -33.238 1.00 0.00 C ATOM 0 H LEU A 83 41.829 -8.370 -34.920 1.00 0.00 H new ATOM 0 HA LEU A 83 42.676 -5.708 -35.747 1.00 0.00 H new ATOM 0 HB2 LEU A 83 40.453 -6.527 -34.577 1.00 0.00 H new ATOM 0 HB3 LEU A 83 41.410 -6.406 -33.114 1.00 0.00 H new ATOM 0 HG LEU A 83 41.007 -4.120 -35.063 1.00 0.00 H new ATOM 0 HD11 LEU A 83 39.411 -3.239 -33.376 1.00 0.00 H new ATOM 0 HD12 LEU A 83 38.870 -4.797 -34.043 1.00 0.00 H new ATOM 0 HD13 LEU A 83 39.609 -4.730 -32.426 1.00 0.00 H new ATOM 0 HD21 LEU A 83 41.793 -2.712 -33.202 1.00 0.00 H new ATOM 0 HD22 LEU A 83 42.076 -4.173 -32.225 1.00 0.00 H new ATOM 0 HD23 LEU A 83 43.022 -3.896 -33.706 1.00 0.00 H new ATOM 1333 N ARG A 84 44.971 -6.278 -34.682 1.00 0.00 N ATOM 1334 CA ARG A 84 46.227 -6.114 -33.973 1.00 0.00 C ATOM 1335 C ARG A 84 46.994 -4.927 -34.523 1.00 0.00 C ATOM 1336 O ARG A 84 46.874 -4.586 -35.701 1.00 0.00 O ATOM 1337 CB ARG A 84 47.089 -7.375 -34.064 1.00 0.00 C ATOM 1338 CG ARG A 84 46.564 -8.537 -33.242 1.00 0.00 C ATOM 1339 CD ARG A 84 47.507 -9.727 -33.304 1.00 0.00 C ATOM 1340 NE ARG A 84 46.996 -10.874 -32.558 1.00 0.00 N ATOM 1341 CZ ARG A 84 46.698 -12.045 -33.113 1.00 0.00 C ATOM 1342 NH1 ARG A 84 46.888 -12.230 -34.413 1.00 0.00 N ATOM 1343 NH2 ARG A 84 46.223 -13.032 -32.366 1.00 0.00 N ATOM 0 H ARG A 84 45.065 -6.350 -35.695 1.00 0.00 H new ATOM 0 HA ARG A 84 45.992 -5.936 -32.924 1.00 0.00 H new ATOM 0 HB2 ARG A 84 47.158 -7.682 -35.108 1.00 0.00 H new ATOM 0 HB3 ARG A 84 48.100 -7.137 -33.735 1.00 0.00 H new ATOM 0 HG2 ARG A 84 46.437 -8.224 -32.206 1.00 0.00 H new ATOM 0 HG3 ARG A 84 45.580 -8.830 -33.609 1.00 0.00 H new ATOM 0 HD2 ARG A 84 47.662 -10.012 -34.345 1.00 0.00 H new ATOM 0 HD3 ARG A 84 48.479 -9.439 -32.904 1.00 0.00 H new ATOM 0 HE ARG A 84 46.860 -10.771 -31.552 1.00 0.00 H new ATOM 0 HH11 ARG A 84 47.263 -11.474 -34.986 1.00 0.00 H new ATOM 0 HH12 ARG A 84 46.660 -13.128 -34.839 1.00 0.00 H new ATOM 0 HH21 ARG A 84 46.086 -12.893 -31.365 1.00 0.00 H new ATOM 0 HH22 ARG A 84 45.995 -13.930 -32.793 1.00 0.00 H new ATOM 1357 N ARG A 85 47.767 -4.290 -33.663 1.00 0.00 N ATOM 1358 CA ARG A 85 48.583 -3.159 -34.063 1.00 0.00 C ATOM 1359 C ARG A 85 49.885 -3.628 -34.712 1.00 0.00 C ATOM 1360 O ARG A 85 50.973 -3.456 -34.167 1.00 0.00 O ATOM 1361 CB ARG A 85 48.851 -2.254 -32.855 1.00 0.00 C ATOM 1362 CG ARG A 85 49.383 -2.993 -31.637 1.00 0.00 C ATOM 1363 CD ARG A 85 49.152 -2.202 -30.361 1.00 0.00 C ATOM 1364 NE ARG A 85 47.731 -1.909 -30.164 1.00 0.00 N ATOM 1365 CZ ARG A 85 47.000 -2.363 -29.147 1.00 0.00 C ATOM 1366 NH1 ARG A 85 47.545 -3.146 -28.221 1.00 0.00 N ATOM 1367 NH2 ARG A 85 45.714 -2.040 -29.070 1.00 0.00 N ATOM 0 H ARG A 85 47.847 -4.539 -32.677 1.00 0.00 H new ATOM 0 HA ARG A 85 48.041 -2.579 -34.810 1.00 0.00 H new ATOM 0 HB2 ARG A 85 49.567 -1.484 -33.142 1.00 0.00 H new ATOM 0 HB3 ARG A 85 47.927 -1.744 -32.583 1.00 0.00 H new ATOM 0 HG2 ARG A 85 48.895 -3.964 -31.558 1.00 0.00 H new ATOM 0 HG3 ARG A 85 50.449 -3.181 -31.762 1.00 0.00 H new ATOM 0 HD2 ARG A 85 49.530 -2.766 -29.508 1.00 0.00 H new ATOM 0 HD3 ARG A 85 49.715 -1.270 -30.402 1.00 0.00 H new ATOM 0 HE ARG A 85 47.269 -1.316 -30.853 1.00 0.00 H new ATOM 0 HH11 ARG A 85 48.530 -3.403 -28.286 1.00 0.00 H new ATOM 0 HH12 ARG A 85 46.978 -3.489 -27.446 1.00 0.00 H new ATOM 0 HH21 ARG A 85 45.293 -1.448 -29.786 1.00 0.00 H new ATOM 0 HH22 ARG A 85 45.147 -2.384 -28.295 1.00 0.00 H new ATOM 1381 N SER A 86 49.757 -4.256 -35.869 1.00 0.00 N ATOM 1382 CA SER A 86 50.910 -4.696 -36.631 1.00 0.00 C ATOM 1383 C SER A 86 51.141 -3.733 -37.791 1.00 0.00 C ATOM 1384 O SER A 86 50.264 -3.544 -38.632 1.00 0.00 O ATOM 1385 CB SER A 86 50.699 -6.125 -37.146 1.00 0.00 C ATOM 1386 OG SER A 86 51.864 -6.622 -37.786 1.00 0.00 O ATOM 0 H SER A 86 48.859 -4.473 -36.302 1.00 0.00 H new ATOM 0 HA SER A 86 51.790 -4.699 -35.988 1.00 0.00 H new ATOM 0 HB2 SER A 86 50.432 -6.777 -36.314 1.00 0.00 H new ATOM 0 HB3 SER A 86 49.863 -6.142 -37.845 1.00 0.00 H new ATOM 0 HG SER A 86 51.699 -7.535 -38.102 1.00 0.00 H new ATOM 1392 N ASN A 87 52.310 -3.117 -37.821 1.00 0.00 N ATOM 1393 CA ASN A 87 52.619 -2.128 -38.841 1.00 0.00 C ATOM 1394 C ASN A 87 53.159 -2.810 -40.084 1.00 0.00 C ATOM 1395 O ASN A 87 53.056 -2.283 -41.194 1.00 0.00 O ATOM 1396 CB ASN A 87 53.631 -1.097 -38.326 1.00 0.00 C ATOM 1397 CG ASN A 87 53.099 -0.259 -37.176 1.00 0.00 C ATOM 1398 OD1 ASN A 87 52.348 -0.739 -36.324 1.00 0.00 O ATOM 1399 ND2 ASN A 87 53.469 1.009 -37.149 1.00 0.00 N ATOM 0 H ASN A 87 53.061 -3.284 -37.151 1.00 0.00 H new ATOM 0 HA ASN A 87 51.697 -1.603 -39.091 1.00 0.00 H new ATOM 0 HB2 ASN A 87 54.534 -1.614 -38.003 1.00 0.00 H new ATOM 0 HB3 ASN A 87 53.917 -0.438 -39.145 1.00 0.00 H new ATOM 0 HD21 ASN A 87 53.132 1.623 -36.407 1.00 0.00 H new ATOM 0 HD22 ASN A 87 54.092 1.374 -37.870 1.00 0.00 H new ATOM 1406 N ASP A 88 53.732 -3.992 -39.897 1.00 0.00 N ATOM 1407 CA ASP A 88 54.217 -4.785 -41.016 1.00 0.00 C ATOM 1408 C ASP A 88 53.047 -5.457 -41.720 1.00 0.00 C ATOM 1409 O ASP A 88 52.660 -6.576 -41.381 1.00 0.00 O ATOM 1410 CB ASP A 88 55.229 -5.834 -40.551 1.00 0.00 C ATOM 1411 CG ASP A 88 55.812 -6.630 -41.705 1.00 0.00 C ATOM 1412 OD1 ASP A 88 56.617 -6.065 -42.476 1.00 0.00 O ATOM 1413 OD2 ASP A 88 55.480 -7.825 -41.843 1.00 0.00 O ATOM 0 H ASP A 88 53.872 -4.421 -38.982 1.00 0.00 H new ATOM 0 HA ASP A 88 54.722 -4.118 -41.715 1.00 0.00 H new ATOM 0 HB2 ASP A 88 56.036 -5.341 -40.010 1.00 0.00 H new ATOM 0 HB3 ASP A 88 54.746 -6.516 -39.851 1.00 0.00 H new ATOM 1418 N ILE A 89 52.457 -4.735 -42.665 1.00 0.00 N ATOM 1419 CA ILE A 89 51.332 -5.234 -43.445 1.00 0.00 C ATOM 1420 C ILE A 89 50.865 -4.156 -44.421 1.00 0.00 C ATOM 1421 O ILE A 89 50.853 -2.968 -44.091 1.00 0.00 O ATOM 1422 CB ILE A 89 50.139 -5.671 -42.547 1.00 0.00 C ATOM 1423 CG1 ILE A 89 49.008 -6.266 -43.397 1.00 0.00 C ATOM 1424 CG2 ILE A 89 49.624 -4.498 -41.719 1.00 0.00 C ATOM 1425 CD1 ILE A 89 47.845 -6.792 -42.583 1.00 0.00 C ATOM 0 H ILE A 89 52.745 -3.788 -42.912 1.00 0.00 H new ATOM 0 HA ILE A 89 51.677 -6.114 -43.988 1.00 0.00 H new ATOM 0 HB ILE A 89 50.497 -6.441 -41.863 1.00 0.00 H new ATOM 0 HG12 ILE A 89 48.643 -5.503 -44.085 1.00 0.00 H new ATOM 0 HG13 ILE A 89 49.410 -7.077 -44.005 1.00 0.00 H new ATOM 0 HG21 ILE A 89 48.790 -4.828 -41.099 1.00 0.00 H new ATOM 0 HG22 ILE A 89 50.424 -4.124 -41.081 1.00 0.00 H new ATOM 0 HG23 ILE A 89 49.289 -3.702 -42.384 1.00 0.00 H new ATOM 0 HD11 ILE A 89 47.086 -7.196 -43.252 1.00 0.00 H new ATOM 0 HD12 ILE A 89 48.195 -7.578 -41.914 1.00 0.00 H new ATOM 0 HD13 ILE A 89 47.416 -5.981 -41.995 1.00 0.00 H new ATOM 1437 N LEU A 90 50.516 -4.568 -45.629 1.00 0.00 N ATOM 1438 CA LEU A 90 49.977 -3.649 -46.618 1.00 0.00 C ATOM 1439 C LEU A 90 48.606 -4.133 -47.059 1.00 0.00 C ATOM 1440 O LEU A 90 48.494 -5.044 -47.883 1.00 0.00 O ATOM 1441 CB LEU A 90 50.904 -3.515 -47.838 1.00 0.00 C ATOM 1442 CG LEU A 90 52.264 -2.851 -47.581 1.00 0.00 C ATOM 1443 CD1 LEU A 90 53.244 -3.831 -46.953 1.00 0.00 C ATOM 1444 CD2 LEU A 90 52.825 -2.279 -48.873 1.00 0.00 C ATOM 0 H LEU A 90 50.596 -5.533 -45.948 1.00 0.00 H new ATOM 0 HA LEU A 90 49.896 -2.664 -46.158 1.00 0.00 H new ATOM 0 HB2 LEU A 90 51.079 -4.510 -48.247 1.00 0.00 H new ATOM 0 HB3 LEU A 90 50.382 -2.943 -48.605 1.00 0.00 H new ATOM 0 HG LEU A 90 52.116 -2.034 -46.875 1.00 0.00 H new ATOM 0 HD11 LEU A 90 54.198 -3.332 -46.783 1.00 0.00 H new ATOM 0 HD12 LEU A 90 52.845 -4.186 -46.003 1.00 0.00 H new ATOM 0 HD13 LEU A 90 53.392 -4.678 -47.623 1.00 0.00 H new ATOM 0 HD21 LEU A 90 53.790 -1.811 -48.675 1.00 0.00 H new ATOM 0 HD22 LEU A 90 52.953 -3.081 -49.601 1.00 0.00 H new ATOM 0 HD23 LEU A 90 52.136 -1.534 -49.271 1.00 0.00 H new ATOM 1456 N ARG A 91 47.566 -3.549 -46.484 1.00 0.00 N ATOM 1457 CA ARG A 91 46.203 -3.938 -46.810 1.00 0.00 C ATOM 1458 C ARG A 91 45.752 -3.242 -48.085 1.00 0.00 C ATOM 1459 O ARG A 91 46.147 -2.105 -48.349 1.00 0.00 O ATOM 1460 CB ARG A 91 45.243 -3.596 -45.665 1.00 0.00 C ATOM 1461 CG ARG A 91 45.696 -4.114 -44.309 1.00 0.00 C ATOM 1462 CD ARG A 91 44.561 -4.105 -43.299 1.00 0.00 C ATOM 1463 NE ARG A 91 43.548 -5.113 -43.616 1.00 0.00 N ATOM 1464 CZ ARG A 91 42.410 -5.279 -42.943 1.00 0.00 C ATOM 1465 NH1 ARG A 91 42.083 -4.460 -41.953 1.00 0.00 N ATOM 1466 NH2 ARG A 91 41.580 -6.258 -43.280 1.00 0.00 N ATOM 0 H ARG A 91 47.640 -2.805 -45.790 1.00 0.00 H new ATOM 0 HA ARG A 91 46.187 -5.017 -46.961 1.00 0.00 H new ATOM 0 HB2 ARG A 91 45.129 -2.513 -45.610 1.00 0.00 H new ATOM 0 HB3 ARG A 91 44.260 -4.009 -45.892 1.00 0.00 H new ATOM 0 HG2 ARG A 91 46.080 -5.128 -44.416 1.00 0.00 H new ATOM 0 HG3 ARG A 91 46.517 -3.499 -43.940 1.00 0.00 H new ATOM 0 HD2 ARG A 91 44.960 -4.290 -42.302 1.00 0.00 H new ATOM 0 HD3 ARG A 91 44.099 -3.118 -43.279 1.00 0.00 H new ATOM 0 HE ARG A 91 43.726 -5.732 -44.407 1.00 0.00 H new ATOM 0 HH11 ARG A 91 42.705 -3.693 -41.699 1.00 0.00 H new ATOM 0 HH12 ARG A 91 41.209 -4.597 -41.445 1.00 0.00 H new ATOM 0 HH21 ARG A 91 41.814 -6.881 -44.053 1.00 0.00 H new ATOM 0 HH22 ARG A 91 40.708 -6.387 -42.766 1.00 0.00 H new ATOM 1480 N LEU A 92 44.937 -3.922 -48.876 1.00 0.00 N ATOM 1481 CA LEU A 92 44.442 -3.348 -50.117 1.00 0.00 C ATOM 1482 C LEU A 92 43.328 -2.342 -49.834 1.00 0.00 C ATOM 1483 O LEU A 92 42.147 -2.689 -49.789 1.00 0.00 O ATOM 1484 CB LEU A 92 43.949 -4.452 -51.057 1.00 0.00 C ATOM 1485 CG LEU A 92 43.532 -3.980 -52.452 1.00 0.00 C ATOM 1486 CD1 LEU A 92 44.713 -3.356 -53.182 1.00 0.00 C ATOM 1487 CD2 LEU A 92 42.955 -5.136 -53.256 1.00 0.00 C ATOM 0 H LEU A 92 44.606 -4.867 -48.682 1.00 0.00 H new ATOM 0 HA LEU A 92 45.261 -2.821 -50.607 1.00 0.00 H new ATOM 0 HB2 LEU A 92 44.738 -5.196 -51.163 1.00 0.00 H new ATOM 0 HB3 LEU A 92 43.100 -4.952 -50.591 1.00 0.00 H new ATOM 0 HG LEU A 92 42.759 -3.220 -52.341 1.00 0.00 H new ATOM 0 HD11 LEU A 92 44.396 -3.027 -54.172 1.00 0.00 H new ATOM 0 HD12 LEU A 92 45.080 -2.500 -52.615 1.00 0.00 H new ATOM 0 HD13 LEU A 92 45.509 -4.093 -53.283 1.00 0.00 H new ATOM 0 HD21 LEU A 92 42.664 -4.782 -54.245 1.00 0.00 H new ATOM 0 HD22 LEU A 92 43.706 -5.919 -53.358 1.00 0.00 H new ATOM 0 HD23 LEU A 92 42.081 -5.536 -52.742 1.00 0.00 H new ATOM 1499 N ALA A 93 43.721 -1.102 -49.600 1.00 0.00 N ATOM 1500 CA ALA A 93 42.773 -0.029 -49.353 1.00 0.00 C ATOM 1501 C ALA A 93 42.755 0.933 -50.531 1.00 0.00 C ATOM 1502 O ALA A 93 43.791 1.474 -50.918 1.00 0.00 O ATOM 1503 CB ALA A 93 43.126 0.703 -48.065 1.00 0.00 C ATOM 0 H ALA A 93 44.699 -0.812 -49.576 1.00 0.00 H new ATOM 0 HA ALA A 93 41.777 -0.457 -49.240 1.00 0.00 H new ATOM 0 HB1 ALA A 93 42.407 1.504 -47.893 1.00 0.00 H new ATOM 0 HB2 ALA A 93 43.097 0.004 -47.229 1.00 0.00 H new ATOM 0 HB3 ALA A 93 44.127 1.126 -48.149 1.00 0.00 H new ATOM 1509 N SER A 94 41.584 1.135 -51.107 1.00 0.00 N ATOM 1510 CA SER A 94 41.450 2.006 -52.259 1.00 0.00 C ATOM 1511 C SER A 94 40.031 2.564 -52.334 1.00 0.00 C ATOM 1512 O SER A 94 39.126 1.928 -52.882 1.00 0.00 O ATOM 1513 CB SER A 94 41.801 1.246 -53.543 1.00 0.00 C ATOM 1514 OG SER A 94 41.820 2.106 -54.668 1.00 0.00 O ATOM 0 H SER A 94 40.712 0.707 -50.795 1.00 0.00 H new ATOM 0 HA SER A 94 42.144 2.840 -52.153 1.00 0.00 H new ATOM 0 HB2 SER A 94 42.776 0.771 -53.431 1.00 0.00 H new ATOM 0 HB3 SER A 94 41.075 0.449 -53.705 1.00 0.00 H new ATOM 0 HG SER A 94 41.044 1.919 -55.236 1.00 0.00 H new ATOM 1520 N ALA A 95 39.837 3.739 -51.755 1.00 0.00 N ATOM 1521 CA ALA A 95 38.535 4.386 -51.750 1.00 0.00 C ATOM 1522 C ALA A 95 38.337 5.221 -53.009 1.00 0.00 C ATOM 1523 O ALA A 95 39.041 6.208 -53.231 1.00 0.00 O ATOM 1524 CB ALA A 95 38.386 5.256 -50.511 1.00 0.00 C ATOM 0 H ALA A 95 40.570 4.266 -51.280 1.00 0.00 H new ATOM 0 HA ALA A 95 37.769 3.611 -51.732 1.00 0.00 H new ATOM 0 HB1 ALA A 95 37.407 5.735 -50.519 1.00 0.00 H new ATOM 0 HB2 ALA A 95 38.480 4.637 -49.619 1.00 0.00 H new ATOM 0 HB3 ALA A 95 39.164 6.020 -50.507 1.00 0.00 H new ATOM 1530 N TYR A 96 37.390 4.814 -53.839 1.00 0.00 N ATOM 1531 CA TYR A 96 37.083 5.542 -55.057 1.00 0.00 C ATOM 1532 C TYR A 96 35.899 6.472 -54.847 1.00 0.00 C ATOM 1533 O TYR A 96 34.757 6.026 -54.732 1.00 0.00 O ATOM 1534 CB TYR A 96 36.789 4.582 -56.213 1.00 0.00 C ATOM 1535 CG TYR A 96 38.020 3.920 -56.785 1.00 0.00 C ATOM 1536 CD1 TYR A 96 38.784 4.561 -57.750 1.00 0.00 C ATOM 1537 CD2 TYR A 96 38.416 2.657 -56.365 1.00 0.00 C ATOM 1538 CE1 TYR A 96 39.908 3.963 -58.287 1.00 0.00 C ATOM 1539 CE2 TYR A 96 39.539 2.051 -56.896 1.00 0.00 C ATOM 1540 CZ TYR A 96 40.283 2.708 -57.855 1.00 0.00 C ATOM 1541 OH TYR A 96 41.398 2.100 -58.390 1.00 0.00 O ATOM 0 H TYR A 96 36.820 3.981 -53.690 1.00 0.00 H new ATOM 0 HA TYR A 96 37.959 6.138 -55.313 1.00 0.00 H new ATOM 0 HB2 TYR A 96 36.101 3.811 -55.866 1.00 0.00 H new ATOM 0 HB3 TYR A 96 36.280 5.129 -57.007 1.00 0.00 H new ATOM 0 HD1 TYR A 96 38.495 5.545 -58.087 1.00 0.00 H new ATOM 0 HD2 TYR A 96 37.838 2.141 -55.613 1.00 0.00 H new ATOM 0 HE1 TYR A 96 40.489 4.475 -59.040 1.00 0.00 H new ATOM 0 HE2 TYR A 96 39.833 1.067 -56.562 1.00 0.00 H new ATOM 0 HH TYR A 96 41.522 1.221 -57.975 1.00 0.00 H new ATOM 1551 N PHE A 97 36.177 7.762 -54.776 1.00 0.00 N ATOM 1552 CA PHE A 97 35.125 8.759 -54.687 1.00 0.00 C ATOM 1553 C PHE A 97 34.608 9.084 -56.084 1.00 0.00 C ATOM 1554 O PHE A 97 35.245 9.804 -56.850 1.00 0.00 O ATOM 1555 CB PHE A 97 35.614 10.022 -53.960 1.00 0.00 C ATOM 1556 CG PHE A 97 36.966 10.529 -54.397 1.00 0.00 C ATOM 1557 CD1 PHE A 97 38.126 9.970 -53.886 1.00 0.00 C ATOM 1558 CD2 PHE A 97 37.077 11.569 -55.309 1.00 0.00 C ATOM 1559 CE1 PHE A 97 39.367 10.435 -54.275 1.00 0.00 C ATOM 1560 CE2 PHE A 97 38.316 12.038 -55.700 1.00 0.00 C ATOM 1561 CZ PHE A 97 39.462 11.470 -55.184 1.00 0.00 C ATOM 0 H PHE A 97 37.123 8.144 -54.778 1.00 0.00 H new ATOM 0 HA PHE A 97 34.303 8.352 -54.098 1.00 0.00 H new ATOM 0 HB2 PHE A 97 34.881 10.815 -54.108 1.00 0.00 H new ATOM 0 HB3 PHE A 97 35.649 9.816 -52.890 1.00 0.00 H new ATOM 0 HD1 PHE A 97 38.059 9.160 -53.174 1.00 0.00 H new ATOM 0 HD2 PHE A 97 36.184 12.017 -55.718 1.00 0.00 H new ATOM 0 HE1 PHE A 97 40.263 9.989 -53.868 1.00 0.00 H new ATOM 0 HE2 PHE A 97 38.387 12.849 -56.409 1.00 0.00 H new ATOM 0 HZ PHE A 97 40.432 11.834 -55.490 1.00 0.00 H new ATOM 1571 N ALA A 98 33.462 8.511 -56.420 1.00 0.00 N ATOM 1572 CA ALA A 98 32.905 8.626 -57.760 1.00 0.00 C ATOM 1573 C ALA A 98 32.325 10.009 -58.009 1.00 0.00 C ATOM 1574 O ALA A 98 32.346 10.509 -59.134 1.00 0.00 O ATOM 1575 CB ALA A 98 31.841 7.567 -57.973 1.00 0.00 C ATOM 0 H ALA A 98 32.896 7.957 -55.777 1.00 0.00 H new ATOM 0 HA ALA A 98 33.715 8.473 -58.473 1.00 0.00 H new ATOM 0 HB1 ALA A 98 31.430 7.661 -58.978 1.00 0.00 H new ATOM 0 HB2 ALA A 98 32.283 6.578 -57.853 1.00 0.00 H new ATOM 0 HB3 ALA A 98 31.044 7.700 -57.241 1.00 0.00 H new ATOM 1581 N LYS A 99 31.805 10.622 -56.957 1.00 0.00 N ATOM 1582 CA LYS A 99 31.185 11.932 -57.067 1.00 0.00 C ATOM 1583 C LYS A 99 31.854 12.932 -56.137 1.00 0.00 C ATOM 1584 O LYS A 99 32.475 12.552 -55.144 1.00 0.00 O ATOM 1585 CB LYS A 99 29.690 11.852 -56.742 1.00 0.00 C ATOM 1586 CG LYS A 99 28.888 11.028 -57.732 1.00 0.00 C ATOM 1587 CD LYS A 99 27.414 10.982 -57.358 1.00 0.00 C ATOM 1588 CE LYS A 99 26.598 10.175 -58.361 1.00 0.00 C ATOM 1589 NZ LYS A 99 26.617 10.771 -59.727 1.00 0.00 N ATOM 0 H LYS A 99 31.800 10.231 -56.015 1.00 0.00 H new ATOM 0 HA LYS A 99 31.310 12.270 -58.096 1.00 0.00 H new ATOM 0 HB2 LYS A 99 29.567 11.426 -55.746 1.00 0.00 H new ATOM 0 HB3 LYS A 99 29.281 12.862 -56.709 1.00 0.00 H new ATOM 0 HG2 LYS A 99 28.998 11.450 -58.731 1.00 0.00 H new ATOM 0 HG3 LYS A 99 29.286 10.014 -57.769 1.00 0.00 H new ATOM 0 HD2 LYS A 99 27.305 10.545 -56.366 1.00 0.00 H new ATOM 0 HD3 LYS A 99 27.021 11.997 -57.304 1.00 0.00 H new ATOM 0 HE2 LYS A 99 26.988 9.158 -58.407 1.00 0.00 H new ATOM 0 HE3 LYS A 99 25.567 10.106 -58.013 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 25.918 10.287 -60.327 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 26.382 11.782 -59.668 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 27.564 10.660 -60.141 1.00 0.00 H new ATOM 1603 N ALA A 100 31.719 14.208 -56.463 1.00 0.00 N ATOM 1604 CA ALA A 100 32.233 15.273 -55.619 1.00 0.00 C ATOM 1605 C ALA A 100 31.113 15.826 -54.750 1.00 0.00 C ATOM 1606 O ALA A 100 31.232 15.885 -53.525 1.00 0.00 O ATOM 1607 CB ALA A 100 32.849 16.380 -56.465 1.00 0.00 C ATOM 0 H ALA A 100 31.255 14.532 -57.312 1.00 0.00 H new ATOM 0 HA ALA A 100 33.013 14.867 -54.976 1.00 0.00 H new ATOM 0 HB1 ALA A 100 33.228 17.168 -55.814 1.00 0.00 H new ATOM 0 HB2 ALA A 100 33.669 15.972 -57.056 1.00 0.00 H new ATOM 0 HB3 ALA A 100 32.092 16.793 -57.131 1.00 0.00 H new ATOM 1613 N GLU A 101 30.019 16.209 -55.401 1.00 0.00 N ATOM 1614 CA GLU A 101 28.837 16.726 -54.720 1.00 0.00 C ATOM 1615 C GLU A 101 27.709 16.924 -55.725 1.00 0.00 C ATOM 1616 O GLU A 101 27.891 16.682 -56.920 1.00 0.00 O ATOM 1617 CB GLU A 101 29.146 18.042 -54.004 1.00 0.00 C ATOM 1618 CG GLU A 101 29.605 19.161 -54.923 1.00 0.00 C ATOM 1619 CD GLU A 101 29.971 20.411 -54.156 1.00 0.00 C ATOM 1620 OE1 GLU A 101 29.066 21.208 -53.837 1.00 0.00 O ATOM 1621 OE2 GLU A 101 31.168 20.592 -53.850 1.00 0.00 O ATOM 0 H GLU A 101 29.927 16.170 -56.416 1.00 0.00 H new ATOM 0 HA GLU A 101 28.527 16.000 -53.968 1.00 0.00 H new ATOM 0 HB2 GLU A 101 28.254 18.369 -53.470 1.00 0.00 H new ATOM 0 HB3 GLU A 101 29.918 17.862 -53.256 1.00 0.00 H new ATOM 0 HG2 GLU A 101 30.466 18.825 -55.501 1.00 0.00 H new ATOM 0 HG3 GLU A 101 28.813 19.392 -55.636 1.00 0.00 H new ATOM 1628 N PHE A 102 26.555 17.365 -55.252 1.00 0.00 N ATOM 1629 CA PHE A 102 25.400 17.551 -56.118 1.00 0.00 C ATOM 1630 C PHE A 102 25.084 19.032 -56.266 1.00 0.00 C ATOM 1631 O PHE A 102 25.417 19.834 -55.392 1.00 0.00 O ATOM 1632 CB PHE A 102 24.188 16.808 -55.554 1.00 0.00 C ATOM 1633 CG PHE A 102 24.415 15.331 -55.387 1.00 0.00 C ATOM 1634 CD1 PHE A 102 24.286 14.470 -56.468 1.00 0.00 C ATOM 1635 CD2 PHE A 102 24.767 14.802 -54.153 1.00 0.00 C ATOM 1636 CE1 PHE A 102 24.499 13.113 -56.321 1.00 0.00 C ATOM 1637 CE2 PHE A 102 24.981 13.445 -54.001 1.00 0.00 C ATOM 1638 CZ PHE A 102 24.850 12.601 -55.087 1.00 0.00 C ATOM 0 H PHE A 102 26.392 17.601 -54.273 1.00 0.00 H new ATOM 0 HA PHE A 102 25.634 17.143 -57.101 1.00 0.00 H new ATOM 0 HB2 PHE A 102 23.925 17.239 -54.588 1.00 0.00 H new ATOM 0 HB3 PHE A 102 23.336 16.964 -56.215 1.00 0.00 H new ATOM 0 HD1 PHE A 102 24.016 14.866 -57.436 1.00 0.00 H new ATOM 0 HD2 PHE A 102 24.875 15.458 -53.302 1.00 0.00 H new ATOM 0 HE1 PHE A 102 24.391 12.454 -57.169 1.00 0.00 H new ATOM 0 HE2 PHE A 102 25.250 13.045 -53.035 1.00 0.00 H new ATOM 0 HZ PHE A 102 25.022 11.541 -54.971 1.00 0.00 H new ATOM 1648 N ASP A 103 24.449 19.387 -57.373 1.00 0.00 N ATOM 1649 CA ASP A 103 24.087 20.772 -57.638 1.00 0.00 C ATOM 1650 C ASP A 103 22.570 20.928 -57.532 1.00 0.00 C ATOM 1651 O ASP A 103 21.894 20.053 -56.993 1.00 0.00 O ATOM 1652 CB ASP A 103 24.578 21.185 -59.030 1.00 0.00 C ATOM 1653 CG ASP A 103 24.659 22.691 -59.200 1.00 0.00 C ATOM 1654 OD1 ASP A 103 25.650 23.288 -58.742 1.00 0.00 O ATOM 1655 OD2 ASP A 103 23.735 23.286 -59.787 1.00 0.00 O ATOM 0 H ASP A 103 24.173 18.733 -58.105 1.00 0.00 H new ATOM 0 HA ASP A 103 24.561 21.422 -56.902 1.00 0.00 H new ATOM 0 HB2 ASP A 103 25.562 20.750 -59.208 1.00 0.00 H new ATOM 0 HB3 ASP A 103 23.907 20.774 -59.784 1.00 0.00 H new ATOM 1660 N ARG A 104 22.031 22.026 -58.035 1.00 0.00 N ATOM 1661 CA ARG A 104 20.596 22.243 -58.002 1.00 0.00 C ATOM 1662 C ARG A 104 20.022 22.204 -59.409 1.00 0.00 C ATOM 1663 O ARG A 104 20.417 22.984 -60.276 1.00 0.00 O ATOM 1664 CB ARG A 104 20.248 23.577 -57.342 1.00 0.00 C ATOM 1665 CG ARG A 104 18.748 23.822 -57.260 1.00 0.00 C ATOM 1666 CD ARG A 104 18.424 25.211 -56.745 1.00 0.00 C ATOM 1667 NE ARG A 104 18.985 26.258 -57.599 1.00 0.00 N ATOM 1668 CZ ARG A 104 18.339 26.817 -58.624 1.00 0.00 C ATOM 1669 NH1 ARG A 104 17.110 26.428 -58.941 1.00 0.00 N ATOM 1670 NH2 ARG A 104 18.920 27.780 -59.328 1.00 0.00 N ATOM 0 H ARG A 104 22.565 22.779 -58.470 1.00 0.00 H new ATOM 0 HA ARG A 104 20.156 21.442 -57.409 1.00 0.00 H new ATOM 0 HB2 ARG A 104 20.671 23.601 -56.338 1.00 0.00 H new ATOM 0 HB3 ARG A 104 20.714 24.387 -57.903 1.00 0.00 H new ATOM 0 HG2 ARG A 104 18.305 23.689 -58.247 1.00 0.00 H new ATOM 0 HG3 ARG A 104 18.295 23.078 -56.605 1.00 0.00 H new ATOM 0 HD2 ARG A 104 17.342 25.332 -56.686 1.00 0.00 H new ATOM 0 HD3 ARG A 104 18.813 25.322 -55.733 1.00 0.00 H new ATOM 0 HE ARG A 104 19.931 26.582 -57.398 1.00 0.00 H new ATOM 0 HH11 ARG A 104 16.651 25.696 -58.399 1.00 0.00 H new ATOM 0 HH12 ARG A 104 16.624 26.861 -59.726 1.00 0.00 H new ATOM 0 HH21 ARG A 104 19.860 28.093 -59.086 1.00 0.00 H new ATOM 0 HH22 ARG A 104 18.427 28.208 -60.112 1.00 0.00 H new ATOM 1684 N LEU A 105 19.093 21.294 -59.628 1.00 0.00 N ATOM 1685 CA LEU A 105 18.427 21.187 -60.910 1.00 0.00 C ATOM 1686 C LEU A 105 17.021 21.765 -60.820 1.00 0.00 C ATOM 1687 O LEU A 105 16.143 21.209 -60.154 1.00 0.00 O ATOM 1688 CB LEU A 105 18.382 19.730 -61.376 1.00 0.00 C ATOM 1689 CG LEU A 105 19.751 19.078 -61.590 1.00 0.00 C ATOM 1690 CD1 LEU A 105 19.592 17.630 -62.021 1.00 0.00 C ATOM 1691 CD2 LEU A 105 20.553 19.850 -62.625 1.00 0.00 C ATOM 0 H LEU A 105 18.782 20.616 -58.932 1.00 0.00 H new ATOM 0 HA LEU A 105 18.993 21.760 -61.645 1.00 0.00 H new ATOM 0 HB2 LEU A 105 17.829 19.146 -60.641 1.00 0.00 H new ATOM 0 HB3 LEU A 105 17.822 19.680 -62.310 1.00 0.00 H new ATOM 0 HG LEU A 105 20.291 19.100 -60.644 1.00 0.00 H new ATOM 0 HD11 LEU A 105 20.576 17.184 -62.168 1.00 0.00 H new ATOM 0 HD12 LEU A 105 19.055 17.078 -61.250 1.00 0.00 H new ATOM 0 HD13 LEU A 105 19.031 17.588 -62.955 1.00 0.00 H new ATOM 0 HD21 LEU A 105 21.523 19.372 -62.764 1.00 0.00 H new ATOM 0 HD22 LEU A 105 20.013 19.858 -63.572 1.00 0.00 H new ATOM 0 HD23 LEU A 105 20.699 20.874 -62.282 1.00 0.00 H new ATOM 1703 N TRP A 106 16.825 22.900 -61.475 1.00 0.00 N ATOM 1704 CA TRP A 106 15.531 23.564 -61.490 1.00 0.00 C ATOM 1705 C TRP A 106 14.611 22.863 -62.475 1.00 0.00 C ATOM 1706 O TRP A 106 13.429 22.651 -62.204 1.00 0.00 O ATOM 1707 CB TRP A 106 15.695 25.040 -61.868 1.00 0.00 C ATOM 1708 CG TRP A 106 14.406 25.806 -61.907 1.00 0.00 C ATOM 1709 CD1 TRP A 106 13.685 26.141 -63.019 1.00 0.00 C ATOM 1710 CD2 TRP A 106 13.683 26.333 -60.786 1.00 0.00 C ATOM 1711 NE1 TRP A 106 12.562 26.843 -62.656 1.00 0.00 N ATOM 1712 CE2 TRP A 106 12.537 26.975 -61.294 1.00 0.00 C ATOM 1713 CE3 TRP A 106 13.890 26.326 -59.407 1.00 0.00 C ATOM 1714 CZ2 TRP A 106 11.606 27.602 -60.470 1.00 0.00 C ATOM 1715 CZ3 TRP A 106 12.965 26.948 -58.591 1.00 0.00 C ATOM 1716 CH2 TRP A 106 11.834 27.578 -59.125 1.00 0.00 C ATOM 0 H TRP A 106 17.550 23.382 -62.006 1.00 0.00 H new ATOM 0 HA TRP A 106 15.091 23.513 -60.494 1.00 0.00 H new ATOM 0 HB2 TRP A 106 16.367 25.515 -61.153 1.00 0.00 H new ATOM 0 HB3 TRP A 106 16.173 25.103 -62.845 1.00 0.00 H new ATOM 0 HD1 TRP A 106 13.958 25.891 -64.033 1.00 0.00 H new ATOM 0 HE1 TRP A 106 11.859 27.208 -63.299 1.00 0.00 H new ATOM 0 HE3 TRP A 106 14.758 25.843 -58.984 1.00 0.00 H new ATOM 0 HZ2 TRP A 106 10.734 28.090 -60.881 1.00 0.00 H new ATOM 0 HZ3 TRP A 106 13.117 26.948 -57.522 1.00 0.00 H new ATOM 0 HH2 TRP A 106 11.129 28.054 -58.460 1.00 0.00 H new ATOM 1727 N LYS A 107 15.172 22.483 -63.612 1.00 0.00 N ATOM 1728 CA LYS A 107 14.421 21.777 -64.631 1.00 0.00 C ATOM 1729 C LYS A 107 15.197 20.559 -65.113 1.00 0.00 C ATOM 1730 O LYS A 107 16.302 20.685 -65.640 1.00 0.00 O ATOM 1731 CB LYS A 107 14.118 22.696 -65.820 1.00 0.00 C ATOM 1732 CG LYS A 107 13.343 22.004 -66.931 1.00 0.00 C ATOM 1733 CD LYS A 107 11.906 21.722 -66.522 1.00 0.00 C ATOM 1734 CE LYS A 107 11.261 20.677 -67.420 1.00 0.00 C ATOM 1735 NZ LYS A 107 11.487 20.954 -68.864 1.00 0.00 N ATOM 0 H LYS A 107 16.149 22.654 -63.850 1.00 0.00 H new ATOM 0 HA LYS A 107 13.479 21.452 -64.189 1.00 0.00 H new ATOM 0 HB2 LYS A 107 13.548 23.556 -65.470 1.00 0.00 H new ATOM 0 HB3 LYS A 107 15.056 23.078 -66.224 1.00 0.00 H new ATOM 0 HG2 LYS A 107 13.351 22.629 -67.824 1.00 0.00 H new ATOM 0 HG3 LYS A 107 13.838 21.068 -67.192 1.00 0.00 H new ATOM 0 HD2 LYS A 107 11.883 21.378 -65.488 1.00 0.00 H new ATOM 0 HD3 LYS A 107 11.328 22.645 -66.564 1.00 0.00 H new ATOM 0 HE2 LYS A 107 11.662 19.693 -67.174 1.00 0.00 H new ATOM 0 HE3 LYS A 107 10.190 20.643 -67.222 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 10.845 20.368 -69.435 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 11.302 21.959 -69.058 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 12.472 20.729 -69.111 1.00 0.00 H new ATOM 1749 N LYS A 108 14.628 19.384 -64.910 1.00 0.00 N ATOM 1750 CA LYS A 108 15.203 18.164 -65.442 1.00 0.00 C ATOM 1751 C LYS A 108 14.470 17.793 -66.720 1.00 0.00 C ATOM 1752 O LYS A 108 15.071 17.887 -67.806 1.00 0.00 O ATOM 1753 CB LYS A 108 15.107 17.014 -64.433 1.00 0.00 C ATOM 1754 CG LYS A 108 15.699 17.333 -63.068 1.00 0.00 C ATOM 1755 CD LYS A 108 15.904 16.070 -62.250 1.00 0.00 C ATOM 1756 CE LYS A 108 16.293 16.384 -60.815 1.00 0.00 C ATOM 1757 NZ LYS A 108 15.146 16.908 -60.024 1.00 0.00 N ATOM 1758 OXT LYS A 108 13.271 17.454 -66.635 1.00 0.00 O ATOM 0 H LYS A 108 13.767 19.250 -64.380 1.00 0.00 H new ATOM 0 HA LYS A 108 16.259 18.336 -65.648 1.00 0.00 H new ATOM 0 HB2 LYS A 108 14.059 16.742 -64.308 1.00 0.00 H new ATOM 0 HB3 LYS A 108 15.616 16.142 -64.843 1.00 0.00 H new ATOM 0 HG2 LYS A 108 16.652 17.847 -63.193 1.00 0.00 H new ATOM 0 HG3 LYS A 108 15.038 18.013 -62.532 1.00 0.00 H new ATOM 0 HD2 LYS A 108 14.988 15.480 -62.257 1.00 0.00 H new ATOM 0 HD3 LYS A 108 16.680 15.460 -62.712 1.00 0.00 H new ATOM 0 HE2 LYS A 108 16.679 15.482 -60.339 1.00 0.00 H new ATOM 0 HE3 LYS A 108 17.100 17.117 -60.811 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 15.419 16.980 -59.023 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 14.880 17.849 -60.379 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 14.337 16.262 -60.116 1.00 0.00 H new TER 1772 LYS A 108