USER MOD reduce.3.24.130724 H: found=0, std=0, add=808, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 806 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 58 THR OG1 : rot -64:sc= 0.86 USER MOD Set 1.2: A 59 GLN : amide:sc= 0.518 K(o=1.4,f=-7.5!) USER MOD Single : A 1 MET CE :methyl -103:sc= -2.39! (180deg=-3.77!) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 8 THR OG1 : rot -27:sc= 0.722 USER MOD Single : A 15 ASN : amide:sc= 0 X(o=0,f=-0.03) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 19 GLN : amide:sc= -0.0295 X(o=-0.029,f=-0.22) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 30 GLN : amide:sc= 0 X(o=0,f=-0.33) USER MOD Single : A 37 LYS NZ :NH3+ 155:sc= 0.834 (180deg=0.463) USER MOD Single : A 39 THR OG1 : rot 75:sc= 0.751 USER MOD Single : A 42 GLN : amide:sc= 0.266 K(o=0.27,f=-2.3) USER MOD Single : A 43 THR OG1 : rot 78:sc= 1.18 USER MOD Single : A 55 CYS SG : rot 16:sc= -4.12! USER MOD Single : A 61 GLN : amide:sc= 0 X(o=0,f=-0.35) USER MOD Single : A 66 THR OG1 : rot -160:sc= 0.133 USER MOD Single : A 69 GLN : amide:sc= 0.281 K(o=0.28,f=-4.4!) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 THR OG1 : rot 76:sc= 1.06 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 TYR OH : rot 180:sc= -0.441 USER MOD Single : A 78 GLN : amide:sc= -0.502 X(o=-0.5,f=-0.012) USER MOD Single : A 86 THR OG1 : rot 122:sc= 0.595 USER MOD Single : A 88 THR OG1 : rot 180:sc= 0 USER MOD Single : A 91 SER OG : rot 83:sc= 0.291 USER MOD Single : A 92 GLN : amide:sc= 0 X(o=0,f=-0.21) USER MOD Single : A 97 GLN : amide:sc= -0.629 K(o=-0.63,f=-4.8!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 5.777 -4.437 6.090 1.00 0.00 N ATOM 2 CA MET A 1 6.536 -4.436 4.819 1.00 0.00 C ATOM 3 C MET A 1 7.139 -5.836 4.573 1.00 0.00 C ATOM 4 O MET A 1 8.044 -6.255 5.293 1.00 0.00 O ATOM 5 CB MET A 1 7.627 -3.321 4.835 1.00 0.00 C ATOM 6 CG MET A 1 8.497 -3.232 3.562 1.00 0.00 C ATOM 7 SD MET A 1 9.721 -4.557 3.447 1.00 0.00 S ATOM 8 CE MET A 1 10.372 -4.277 1.811 1.00 0.00 C ATOM 0 H1 MET A 1 5.372 -3.493 6.253 1.00 0.00 H new ATOM 0 H2 MET A 1 5.011 -5.138 6.036 1.00 0.00 H new ATOM 0 H3 MET A 1 6.414 -4.681 6.875 1.00 0.00 H new ATOM 0 HA MET A 1 5.863 -4.211 3.992 1.00 0.00 H new ATOM 0 HB2 MET A 1 7.138 -2.359 4.989 1.00 0.00 H new ATOM 0 HB3 MET A 1 8.281 -3.487 5.691 1.00 0.00 H new ATOM 0 HG2 MET A 1 7.851 -3.265 2.685 1.00 0.00 H new ATOM 0 HG3 MET A 1 9.009 -2.270 3.545 1.00 0.00 H new ATOM 0 HE1 MET A 1 9.952 -5.009 1.122 1.00 0.00 H new ATOM 0 HE2 MET A 1 10.106 -3.273 1.480 1.00 0.00 H new ATOM 0 HE3 MET A 1 11.457 -4.377 1.829 1.00 0.00 H new ATOM 18 N LEU A 2 6.583 -6.561 3.586 1.00 0.00 N ATOM 19 CA LEU A 2 7.134 -7.842 3.075 1.00 0.00 C ATOM 20 C LEU A 2 7.575 -7.661 1.609 1.00 0.00 C ATOM 21 O LEU A 2 7.060 -6.773 0.916 1.00 0.00 O ATOM 22 CB LEU A 2 6.080 -8.983 3.256 1.00 0.00 C ATOM 23 CG LEU A 2 4.623 -8.739 2.709 1.00 0.00 C ATOM 24 CD1 LEU A 2 4.496 -8.943 1.185 1.00 0.00 C ATOM 25 CD2 LEU A 2 3.596 -9.607 3.470 1.00 0.00 C ATOM 0 H LEU A 2 5.727 -6.275 3.111 1.00 0.00 H new ATOM 0 HA LEU A 2 8.016 -8.133 3.646 1.00 0.00 H new ATOM 0 HB2 LEU A 2 6.472 -9.879 2.774 1.00 0.00 H new ATOM 0 HB3 LEU A 2 6.004 -9.201 4.321 1.00 0.00 H new ATOM 0 HG LEU A 2 4.403 -7.687 2.892 1.00 0.00 H new ATOM 0 HD11 LEU A 2 3.467 -8.759 0.878 1.00 0.00 H new ATOM 0 HD12 LEU A 2 5.159 -8.249 0.668 1.00 0.00 H new ATOM 0 HD13 LEU A 2 4.773 -9.966 0.931 1.00 0.00 H new ATOM 0 HD21 LEU A 2 2.598 -9.421 3.074 1.00 0.00 H new ATOM 0 HD22 LEU A 2 3.846 -10.661 3.344 1.00 0.00 H new ATOM 0 HD23 LEU A 2 3.619 -9.353 4.530 1.00 0.00 H new ATOM 37 N LEU A 3 8.538 -8.478 1.157 1.00 0.00 N ATOM 38 CA LEU A 3 9.078 -8.415 -0.212 1.00 0.00 C ATOM 39 C LEU A 3 8.026 -8.865 -1.249 1.00 0.00 C ATOM 40 O LEU A 3 7.733 -10.060 -1.347 1.00 0.00 O ATOM 41 CB LEU A 3 10.344 -9.322 -0.301 1.00 0.00 C ATOM 42 CG LEU A 3 11.414 -9.113 0.829 1.00 0.00 C ATOM 43 CD1 LEU A 3 12.588 -10.105 0.696 1.00 0.00 C ATOM 44 CD2 LEU A 3 11.905 -7.646 0.867 1.00 0.00 C ATOM 0 H LEU A 3 8.966 -9.204 1.731 1.00 0.00 H new ATOM 0 HA LEU A 3 9.344 -7.383 -0.438 1.00 0.00 H new ATOM 0 HB2 LEU A 3 10.024 -10.364 -0.284 1.00 0.00 H new ATOM 0 HB3 LEU A 3 10.823 -9.152 -1.265 1.00 0.00 H new ATOM 0 HG LEU A 3 10.930 -9.323 1.783 1.00 0.00 H new ATOM 0 HD11 LEU A 3 13.307 -9.928 1.496 1.00 0.00 H new ATOM 0 HD12 LEU A 3 12.212 -11.126 0.766 1.00 0.00 H new ATOM 0 HD13 LEU A 3 13.076 -9.963 -0.268 1.00 0.00 H new ATOM 0 HD21 LEU A 3 12.645 -7.530 1.659 1.00 0.00 H new ATOM 0 HD22 LEU A 3 12.356 -7.388 -0.091 1.00 0.00 H new ATOM 0 HD23 LEU A 3 11.060 -6.985 1.060 1.00 0.00 H new ATOM 56 N HIS A 4 7.414 -7.883 -1.957 1.00 0.00 N ATOM 57 CA HIS A 4 6.557 -8.101 -3.159 1.00 0.00 C ATOM 58 C HIS A 4 7.119 -9.165 -4.144 1.00 0.00 C ATOM 59 O HIS A 4 6.350 -9.892 -4.782 1.00 0.00 O ATOM 60 CB HIS A 4 6.380 -6.735 -3.893 1.00 0.00 C ATOM 61 CG HIS A 4 5.302 -6.708 -4.960 1.00 0.00 C ATOM 62 ND1 HIS A 4 4.009 -6.290 -4.708 1.00 0.00 N ATOM 63 CD2 HIS A 4 5.329 -7.034 -6.279 1.00 0.00 C ATOM 64 CE1 HIS A 4 3.295 -6.364 -5.813 1.00 0.00 C ATOM 65 NE2 HIS A 4 4.069 -6.813 -6.780 1.00 0.00 N ATOM 0 H HIS A 4 7.501 -6.898 -1.707 1.00 0.00 H new ATOM 0 HA HIS A 4 5.601 -8.493 -2.812 1.00 0.00 H new ATOM 0 HB2 HIS A 4 6.153 -5.969 -3.151 1.00 0.00 H new ATOM 0 HB3 HIS A 4 7.330 -6.462 -4.353 1.00 0.00 H new ATOM 0 HD2 HIS A 4 6.183 -7.399 -6.831 1.00 0.00 H new ATOM 0 HE1 HIS A 4 2.252 -6.101 -5.910 1.00 0.00 H new ATOM 0 HE2 HIS A 4 3.779 -6.971 -7.745 1.00 0.00 H new ATOM 74 N SER A 5 8.460 -9.232 -4.261 1.00 0.00 N ATOM 75 CA SER A 5 9.145 -10.193 -5.131 1.00 0.00 C ATOM 76 C SER A 5 10.647 -10.231 -4.789 1.00 0.00 C ATOM 77 O SER A 5 11.318 -9.196 -4.808 1.00 0.00 O ATOM 78 CB SER A 5 8.944 -9.832 -6.624 1.00 0.00 C ATOM 79 OG SER A 5 9.498 -10.820 -7.464 1.00 0.00 O ATOM 0 H SER A 5 9.095 -8.617 -3.751 1.00 0.00 H new ATOM 0 HA SER A 5 8.714 -11.180 -4.961 1.00 0.00 H new ATOM 0 HB2 SER A 5 7.880 -9.725 -6.836 1.00 0.00 H new ATOM 0 HB3 SER A 5 9.409 -8.869 -6.834 1.00 0.00 H new ATOM 0 HG SER A 5 9.357 -10.570 -8.401 1.00 0.00 H new ATOM 85 N VAL A 6 11.163 -11.429 -4.483 1.00 0.00 N ATOM 86 CA VAL A 6 12.601 -11.676 -4.241 1.00 0.00 C ATOM 87 C VAL A 6 13.060 -12.863 -5.102 1.00 0.00 C ATOM 88 O VAL A 6 12.518 -13.972 -4.995 1.00 0.00 O ATOM 89 CB VAL A 6 12.910 -11.920 -2.705 1.00 0.00 C ATOM 90 CG1 VAL A 6 12.060 -13.058 -2.091 1.00 0.00 C ATOM 91 CG2 VAL A 6 14.437 -12.121 -2.456 1.00 0.00 C ATOM 0 H VAL A 6 10.590 -12.268 -4.394 1.00 0.00 H new ATOM 0 HA VAL A 6 13.162 -10.786 -4.528 1.00 0.00 H new ATOM 0 HB VAL A 6 12.611 -11.014 -2.179 1.00 0.00 H new ATOM 0 HG11 VAL A 6 12.317 -13.177 -1.038 1.00 0.00 H new ATOM 0 HG12 VAL A 6 11.002 -12.811 -2.181 1.00 0.00 H new ATOM 0 HG13 VAL A 6 12.261 -13.989 -2.621 1.00 0.00 H new ATOM 0 HG21 VAL A 6 14.614 -12.286 -1.393 1.00 0.00 H new ATOM 0 HG22 VAL A 6 14.787 -12.985 -3.020 1.00 0.00 H new ATOM 0 HG23 VAL A 6 14.979 -11.232 -2.780 1.00 0.00 H new ATOM 101 N GLU A 7 14.030 -12.603 -5.991 1.00 0.00 N ATOM 102 CA GLU A 7 14.581 -13.620 -6.889 1.00 0.00 C ATOM 103 C GLU A 7 15.619 -14.444 -6.102 1.00 0.00 C ATOM 104 O GLU A 7 16.784 -14.066 -6.013 1.00 0.00 O ATOM 105 CB GLU A 7 15.189 -12.945 -8.167 1.00 0.00 C ATOM 106 CG GLU A 7 15.177 -13.806 -9.458 1.00 0.00 C ATOM 107 CD GLU A 7 15.997 -15.115 -9.384 1.00 0.00 C ATOM 108 OE1 GLU A 7 17.232 -15.065 -9.552 1.00 0.00 O ATOM 109 OE2 GLU A 7 15.410 -16.196 -9.177 1.00 0.00 O ATOM 0 H GLU A 7 14.452 -11.681 -6.105 1.00 0.00 H new ATOM 0 HA GLU A 7 13.800 -14.293 -7.241 1.00 0.00 H new ATOM 0 HB2 GLU A 7 14.641 -12.023 -8.363 1.00 0.00 H new ATOM 0 HB3 GLU A 7 16.220 -12.664 -7.950 1.00 0.00 H new ATOM 0 HG2 GLU A 7 14.144 -14.056 -9.699 1.00 0.00 H new ATOM 0 HG3 GLU A 7 15.559 -13.203 -10.281 1.00 0.00 H new ATOM 116 N THR A 8 15.146 -15.545 -5.491 1.00 0.00 N ATOM 117 CA THR A 8 15.962 -16.424 -4.624 1.00 0.00 C ATOM 118 C THR A 8 16.675 -17.509 -5.485 1.00 0.00 C ATOM 119 O THR A 8 16.328 -17.661 -6.662 1.00 0.00 O ATOM 120 CB THR A 8 15.062 -17.091 -3.513 1.00 0.00 C ATOM 121 OG1 THR A 8 14.254 -18.140 -4.059 1.00 0.00 O ATOM 122 CG2 THR A 8 14.145 -16.071 -2.818 1.00 0.00 C ATOM 0 H THR A 8 14.179 -15.855 -5.584 1.00 0.00 H new ATOM 0 HA THR A 8 16.723 -15.822 -4.127 1.00 0.00 H new ATOM 0 HB THR A 8 15.750 -17.503 -2.775 1.00 0.00 H new ATOM 0 HG1 THR A 8 14.081 -17.960 -5.007 1.00 0.00 H new ATOM 0 HG21 THR A 8 13.545 -16.577 -2.062 1.00 0.00 H new ATOM 0 HG22 THR A 8 14.752 -15.300 -2.343 1.00 0.00 H new ATOM 0 HG23 THR A 8 13.487 -15.612 -3.556 1.00 0.00 H new ATOM 130 N PRO A 9 17.703 -18.262 -4.934 1.00 0.00 N ATOM 131 CA PRO A 9 18.422 -19.337 -5.692 1.00 0.00 C ATOM 132 C PRO A 9 17.504 -20.435 -6.295 1.00 0.00 C ATOM 133 O PRO A 9 17.831 -21.013 -7.334 1.00 0.00 O ATOM 134 CB PRO A 9 19.399 -19.932 -4.641 1.00 0.00 C ATOM 135 CG PRO A 9 19.633 -18.805 -3.687 1.00 0.00 C ATOM 136 CD PRO A 9 18.305 -18.084 -3.581 1.00 0.00 C ATOM 0 HA PRO A 9 18.912 -18.923 -6.573 1.00 0.00 H new ATOM 0 HB2 PRO A 9 18.966 -20.797 -4.139 1.00 0.00 H new ATOM 0 HB3 PRO A 9 20.329 -20.264 -5.103 1.00 0.00 H new ATOM 0 HG2 PRO A 9 19.958 -19.175 -2.714 1.00 0.00 H new ATOM 0 HG3 PRO A 9 20.414 -18.138 -4.051 1.00 0.00 H new ATOM 0 HD2 PRO A 9 17.676 -18.514 -2.802 1.00 0.00 H new ATOM 0 HD3 PRO A 9 18.439 -17.030 -3.337 1.00 0.00 H new ATOM 144 N ARG A 10 16.361 -20.718 -5.634 1.00 0.00 N ATOM 145 CA ARG A 10 15.378 -21.738 -6.104 1.00 0.00 C ATOM 146 C ARG A 10 14.422 -21.175 -7.183 1.00 0.00 C ATOM 147 O ARG A 10 13.740 -21.941 -7.884 1.00 0.00 O ATOM 148 CB ARG A 10 14.560 -22.293 -4.907 1.00 0.00 C ATOM 149 CG ARG A 10 13.741 -21.232 -4.141 1.00 0.00 C ATOM 150 CD ARG A 10 12.998 -21.811 -2.928 1.00 0.00 C ATOM 151 NE ARG A 10 13.913 -22.516 -2.008 1.00 0.00 N ATOM 152 CZ ARG A 10 13.560 -23.476 -1.141 1.00 0.00 C ATOM 153 NH1 ARG A 10 12.286 -23.818 -0.982 1.00 0.00 N ATOM 154 NH2 ARG A 10 14.489 -24.079 -0.419 1.00 0.00 N ATOM 0 H ARG A 10 16.088 -20.255 -4.767 1.00 0.00 H new ATOM 0 HA ARG A 10 15.948 -22.547 -6.560 1.00 0.00 H new ATOM 0 HB2 ARG A 10 13.880 -23.062 -5.274 1.00 0.00 H new ATOM 0 HB3 ARG A 10 15.244 -22.778 -4.210 1.00 0.00 H new ATOM 0 HG2 ARG A 10 14.408 -20.437 -3.807 1.00 0.00 H new ATOM 0 HG3 ARG A 10 13.019 -20.778 -4.820 1.00 0.00 H new ATOM 0 HD2 ARG A 10 12.494 -21.006 -2.393 1.00 0.00 H new ATOM 0 HD3 ARG A 10 12.225 -22.499 -3.270 1.00 0.00 H new ATOM 0 HE ARG A 10 14.897 -22.250 -2.034 1.00 0.00 H new ATOM 0 HH11 ARG A 10 11.560 -23.348 -1.524 1.00 0.00 H new ATOM 0 HH12 ARG A 10 12.034 -24.550 -0.318 1.00 0.00 H new ATOM 0 HH21 ARG A 10 15.468 -23.813 -0.523 1.00 0.00 H new ATOM 0 HH22 ARG A 10 14.226 -24.810 0.242 1.00 0.00 H new ATOM 168 N GLY A 11 14.380 -19.842 -7.283 1.00 0.00 N ATOM 169 CA GLY A 11 13.509 -19.139 -8.222 1.00 0.00 C ATOM 170 C GLY A 11 12.979 -17.846 -7.629 1.00 0.00 C ATOM 171 O GLY A 11 13.289 -17.510 -6.490 1.00 0.00 O ATOM 0 H GLY A 11 14.953 -19.221 -6.711 1.00 0.00 H new ATOM 0 HA2 GLY A 11 14.059 -18.922 -9.137 1.00 0.00 H new ATOM 0 HA3 GLY A 11 12.674 -19.783 -8.497 1.00 0.00 H new ATOM 175 N GLU A 12 12.156 -17.127 -8.391 1.00 0.00 N ATOM 176 CA GLU A 12 11.609 -15.830 -7.955 1.00 0.00 C ATOM 177 C GLU A 12 10.330 -16.074 -7.138 1.00 0.00 C ATOM 178 O GLU A 12 9.469 -16.851 -7.555 1.00 0.00 O ATOM 179 CB GLU A 12 11.344 -14.933 -9.182 1.00 0.00 C ATOM 180 CG GLU A 12 10.922 -13.497 -8.838 1.00 0.00 C ATOM 181 CD GLU A 12 10.865 -12.588 -10.073 1.00 0.00 C ATOM 182 OE1 GLU A 12 9.862 -12.641 -10.818 1.00 0.00 O ATOM 183 OE2 GLU A 12 11.829 -11.832 -10.316 1.00 0.00 O ATOM 0 H GLU A 12 11.848 -17.417 -9.319 1.00 0.00 H new ATOM 0 HA GLU A 12 12.327 -15.311 -7.320 1.00 0.00 H new ATOM 0 HB2 GLU A 12 12.246 -14.897 -9.793 1.00 0.00 H new ATOM 0 HB3 GLU A 12 10.565 -15.392 -9.791 1.00 0.00 H new ATOM 0 HG2 GLU A 12 9.943 -13.515 -8.359 1.00 0.00 H new ATOM 0 HG3 GLU A 12 11.623 -13.079 -8.116 1.00 0.00 H new ATOM 190 N ILE A 13 10.215 -15.402 -5.980 1.00 0.00 N ATOM 191 CA ILE A 13 9.195 -15.695 -4.950 1.00 0.00 C ATOM 192 C ILE A 13 8.391 -14.411 -4.666 1.00 0.00 C ATOM 193 O ILE A 13 8.956 -13.410 -4.219 1.00 0.00 O ATOM 194 CB ILE A 13 9.844 -16.224 -3.601 1.00 0.00 C ATOM 195 CG1 ILE A 13 10.867 -17.380 -3.860 1.00 0.00 C ATOM 196 CG2 ILE A 13 8.748 -16.671 -2.597 1.00 0.00 C ATOM 197 CD1 ILE A 13 10.299 -18.634 -4.492 1.00 0.00 C ATOM 0 H ILE A 13 10.833 -14.631 -5.727 1.00 0.00 H new ATOM 0 HA ILE A 13 8.544 -16.482 -5.331 1.00 0.00 H new ATOM 0 HB ILE A 13 10.396 -15.394 -3.160 1.00 0.00 H new ATOM 0 HG12 ILE A 13 11.661 -17.000 -4.503 1.00 0.00 H new ATOM 0 HG13 ILE A 13 11.328 -17.651 -2.910 1.00 0.00 H new ATOM 0 HG21 ILE A 13 9.218 -17.029 -1.681 1.00 0.00 H new ATOM 0 HG22 ILE A 13 8.100 -15.826 -2.366 1.00 0.00 H new ATOM 0 HG23 ILE A 13 8.155 -17.472 -3.038 1.00 0.00 H new ATOM 0 HD11 ILE A 13 11.095 -19.367 -4.625 1.00 0.00 H new ATOM 0 HD12 ILE A 13 9.527 -19.050 -3.845 1.00 0.00 H new ATOM 0 HD13 ILE A 13 9.866 -18.389 -5.462 1.00 0.00 H new ATOM 209 N LEU A 14 7.081 -14.461 -4.933 1.00 0.00 N ATOM 210 CA LEU A 14 6.170 -13.311 -4.780 1.00 0.00 C ATOM 211 C LEU A 14 5.593 -13.246 -3.355 1.00 0.00 C ATOM 212 O LEU A 14 5.323 -14.295 -2.760 1.00 0.00 O ATOM 213 CB LEU A 14 5.025 -13.410 -5.829 1.00 0.00 C ATOM 214 CG LEU A 14 5.477 -13.401 -7.328 1.00 0.00 C ATOM 215 CD1 LEU A 14 4.281 -13.683 -8.261 1.00 0.00 C ATOM 216 CD2 LEU A 14 6.173 -12.066 -7.686 1.00 0.00 C ATOM 0 H LEU A 14 6.615 -15.306 -5.264 1.00 0.00 H new ATOM 0 HA LEU A 14 6.735 -12.394 -4.950 1.00 0.00 H new ATOM 0 HB2 LEU A 14 4.464 -14.326 -5.643 1.00 0.00 H new ATOM 0 HB3 LEU A 14 4.338 -12.578 -5.670 1.00 0.00 H new ATOM 0 HG LEU A 14 6.205 -14.200 -7.472 1.00 0.00 H new ATOM 0 HD11 LEU A 14 4.618 -13.672 -9.298 1.00 0.00 H new ATOM 0 HD12 LEU A 14 3.859 -14.660 -8.027 1.00 0.00 H new ATOM 0 HD13 LEU A 14 3.520 -12.916 -8.119 1.00 0.00 H new ATOM 0 HD21 LEU A 14 6.478 -12.084 -8.732 1.00 0.00 H new ATOM 0 HD22 LEU A 14 5.481 -11.240 -7.524 1.00 0.00 H new ATOM 0 HD23 LEU A 14 7.051 -11.933 -7.054 1.00 0.00 H new ATOM 228 N ASN A 15 5.398 -11.999 -2.859 1.00 0.00 N ATOM 229 CA ASN A 15 4.821 -11.656 -1.529 1.00 0.00 C ATOM 230 C ASN A 15 5.249 -12.619 -0.398 1.00 0.00 C ATOM 231 O ASN A 15 4.520 -13.550 -0.029 1.00 0.00 O ATOM 232 CB ASN A 15 3.273 -11.427 -1.587 1.00 0.00 C ATOM 233 CG ASN A 15 2.461 -12.601 -2.148 1.00 0.00 C ATOM 234 OD1 ASN A 15 1.980 -13.465 -1.414 1.00 0.00 O ATOM 235 ND2 ASN A 15 2.300 -12.633 -3.460 1.00 0.00 N ATOM 0 H ASN A 15 5.648 -11.168 -3.395 1.00 0.00 H new ATOM 0 HA ASN A 15 5.262 -10.696 -1.260 1.00 0.00 H new ATOM 0 HB2 ASN A 15 2.916 -11.207 -0.581 1.00 0.00 H new ATOM 0 HB3 ASN A 15 3.075 -10.545 -2.196 1.00 0.00 H new ATOM 0 HD21 ASN A 15 1.765 -13.388 -3.890 1.00 0.00 H new ATOM 0 HD22 ASN A 15 2.710 -11.903 -4.042 1.00 0.00 H new ATOM 242 N VAL A 16 6.473 -12.404 0.102 1.00 0.00 N ATOM 243 CA VAL A 16 7.038 -13.152 1.233 1.00 0.00 C ATOM 244 C VAL A 16 7.820 -12.185 2.137 1.00 0.00 C ATOM 245 O VAL A 16 8.468 -11.256 1.652 1.00 0.00 O ATOM 246 CB VAL A 16 7.958 -14.341 0.749 1.00 0.00 C ATOM 247 CG1 VAL A 16 9.131 -13.854 -0.132 1.00 0.00 C ATOM 248 CG2 VAL A 16 8.479 -15.194 1.934 1.00 0.00 C ATOM 0 H VAL A 16 7.106 -11.697 -0.272 1.00 0.00 H new ATOM 0 HA VAL A 16 6.220 -13.598 1.799 1.00 0.00 H new ATOM 0 HB VAL A 16 7.326 -14.979 0.131 1.00 0.00 H new ATOM 0 HG11 VAL A 16 9.734 -14.708 -0.439 1.00 0.00 H new ATOM 0 HG12 VAL A 16 8.738 -13.351 -1.015 1.00 0.00 H new ATOM 0 HG13 VAL A 16 9.749 -13.159 0.437 1.00 0.00 H new ATOM 0 HG21 VAL A 16 9.107 -16.000 1.554 1.00 0.00 H new ATOM 0 HG22 VAL A 16 9.063 -14.565 2.606 1.00 0.00 H new ATOM 0 HG23 VAL A 16 7.634 -15.618 2.476 1.00 0.00 H new ATOM 258 N SER A 17 7.722 -12.398 3.457 1.00 0.00 N ATOM 259 CA SER A 17 8.459 -11.620 4.460 1.00 0.00 C ATOM 260 C SER A 17 9.980 -11.867 4.346 1.00 0.00 C ATOM 261 O SER A 17 10.398 -12.949 3.936 1.00 0.00 O ATOM 262 CB SER A 17 7.926 -11.991 5.860 1.00 0.00 C ATOM 263 OG SER A 17 8.020 -13.388 6.098 1.00 0.00 O ATOM 0 H SER A 17 7.125 -13.120 3.860 1.00 0.00 H new ATOM 0 HA SER A 17 8.302 -10.555 4.288 1.00 0.00 H new ATOM 0 HB2 SER A 17 8.491 -11.452 6.620 1.00 0.00 H new ATOM 0 HB3 SER A 17 6.887 -11.674 5.951 1.00 0.00 H new ATOM 0 HG SER A 17 7.676 -13.591 6.993 1.00 0.00 H new ATOM 269 N GLU A 18 10.784 -10.860 4.723 1.00 0.00 N ATOM 270 CA GLU A 18 12.260 -10.868 4.564 1.00 0.00 C ATOM 271 C GLU A 18 12.931 -12.094 5.214 1.00 0.00 C ATOM 272 O GLU A 18 13.752 -12.768 4.588 1.00 0.00 O ATOM 273 CB GLU A 18 12.835 -9.579 5.185 1.00 0.00 C ATOM 274 CG GLU A 18 12.398 -8.291 4.468 1.00 0.00 C ATOM 275 CD GLU A 18 12.823 -7.021 5.220 1.00 0.00 C ATOM 276 OE1 GLU A 18 12.104 -6.608 6.160 1.00 0.00 O ATOM 277 OE2 GLU A 18 13.888 -6.454 4.906 1.00 0.00 O ATOM 0 H GLU A 18 10.431 -10.005 5.152 1.00 0.00 H new ATOM 0 HA GLU A 18 12.473 -10.921 3.496 1.00 0.00 H new ATOM 0 HB2 GLU A 18 12.529 -9.523 6.230 1.00 0.00 H new ATOM 0 HB3 GLU A 18 13.923 -9.637 5.175 1.00 0.00 H new ATOM 0 HG2 GLU A 18 12.826 -8.275 3.466 1.00 0.00 H new ATOM 0 HG3 GLU A 18 11.314 -8.294 4.352 1.00 0.00 H new ATOM 284 N GLN A 19 12.541 -12.372 6.463 1.00 0.00 N ATOM 285 CA GLN A 19 13.162 -13.428 7.280 1.00 0.00 C ATOM 286 C GLN A 19 12.841 -14.822 6.720 1.00 0.00 C ATOM 287 O GLN A 19 13.722 -15.681 6.654 1.00 0.00 O ATOM 288 CB GLN A 19 12.702 -13.304 8.755 1.00 0.00 C ATOM 289 CG GLN A 19 12.974 -11.927 9.412 1.00 0.00 C ATOM 290 CD GLN A 19 14.442 -11.476 9.356 1.00 0.00 C ATOM 291 OE1 GLN A 19 15.367 -12.294 9.379 1.00 0.00 O ATOM 292 NE2 GLN A 19 14.671 -10.166 9.286 1.00 0.00 N ATOM 0 H GLN A 19 11.788 -11.874 6.938 1.00 0.00 H new ATOM 0 HA GLN A 19 14.244 -13.299 7.242 1.00 0.00 H new ATOM 0 HB2 GLN A 19 11.633 -13.509 8.805 1.00 0.00 H new ATOM 0 HB3 GLN A 19 13.202 -14.075 9.342 1.00 0.00 H new ATOM 0 HG2 GLN A 19 12.357 -11.175 8.920 1.00 0.00 H new ATOM 0 HG3 GLN A 19 12.658 -11.967 10.455 1.00 0.00 H new ATOM 0 HE21 GLN A 19 13.889 -9.512 9.268 1.00 0.00 H new ATOM 0 HE22 GLN A 19 15.629 -9.817 9.250 1.00 0.00 H new ATOM 301 N GLU A 20 11.580 -15.016 6.283 1.00 0.00 N ATOM 302 CA GLU A 20 11.125 -16.282 5.684 1.00 0.00 C ATOM 303 C GLU A 20 11.823 -16.512 4.329 1.00 0.00 C ATOM 304 O GLU A 20 12.260 -17.629 4.026 1.00 0.00 O ATOM 305 CB GLU A 20 9.589 -16.272 5.517 1.00 0.00 C ATOM 306 CG GLU A 20 9.005 -17.585 4.961 1.00 0.00 C ATOM 307 CD GLU A 20 7.468 -17.629 4.967 1.00 0.00 C ATOM 308 OE1 GLU A 20 6.875 -17.660 6.067 1.00 0.00 O ATOM 309 OE2 GLU A 20 6.849 -17.607 3.881 1.00 0.00 O ATOM 0 H GLU A 20 10.854 -14.302 6.336 1.00 0.00 H new ATOM 0 HA GLU A 20 11.391 -17.104 6.349 1.00 0.00 H new ATOM 0 HB2 GLU A 20 9.131 -16.065 6.484 1.00 0.00 H new ATOM 0 HB3 GLU A 20 9.313 -15.454 4.852 1.00 0.00 H new ATOM 0 HG2 GLU A 20 9.360 -17.727 3.940 1.00 0.00 H new ATOM 0 HG3 GLU A 20 9.386 -18.420 5.549 1.00 0.00 H new ATOM 316 N ALA A 21 11.887 -15.436 3.518 1.00 0.00 N ATOM 317 CA ALA A 21 12.667 -15.402 2.270 1.00 0.00 C ATOM 318 C ALA A 21 14.112 -15.904 2.486 1.00 0.00 C ATOM 319 O ALA A 21 14.613 -16.693 1.691 1.00 0.00 O ATOM 320 CB ALA A 21 12.662 -13.983 1.678 1.00 0.00 C ATOM 0 H ALA A 21 11.396 -14.564 3.714 1.00 0.00 H new ATOM 0 HA ALA A 21 12.193 -16.080 1.560 1.00 0.00 H new ATOM 0 HB1 ALA A 21 13.242 -13.972 0.755 1.00 0.00 H new ATOM 0 HB2 ALA A 21 11.636 -13.681 1.465 1.00 0.00 H new ATOM 0 HB3 ALA A 21 13.104 -13.289 2.393 1.00 0.00 H new ATOM 326 N ARG A 22 14.743 -15.479 3.599 1.00 0.00 N ATOM 327 CA ARG A 22 16.115 -15.897 3.950 1.00 0.00 C ATOM 328 C ARG A 22 16.188 -17.388 4.324 1.00 0.00 C ATOM 329 O ARG A 22 17.030 -18.119 3.805 1.00 0.00 O ATOM 330 CB ARG A 22 16.680 -15.066 5.130 1.00 0.00 C ATOM 331 CG ARG A 22 16.903 -13.579 4.827 1.00 0.00 C ATOM 332 CD ARG A 22 17.687 -12.849 5.929 1.00 0.00 C ATOM 333 NE ARG A 22 18.992 -13.500 6.178 1.00 0.00 N ATOM 334 CZ ARG A 22 19.870 -13.173 7.140 1.00 0.00 C ATOM 335 NH1 ARG A 22 19.679 -12.121 7.927 1.00 0.00 N ATOM 336 NH2 ARG A 22 20.961 -13.906 7.287 1.00 0.00 N ATOM 0 H ARG A 22 14.320 -14.842 4.274 1.00 0.00 H new ATOM 0 HA ARG A 22 16.717 -15.723 3.058 1.00 0.00 H new ATOM 0 HB2 ARG A 22 15.996 -15.151 5.975 1.00 0.00 H new ATOM 0 HB3 ARG A 22 17.628 -15.504 5.442 1.00 0.00 H new ATOM 0 HG2 ARG A 22 17.440 -13.483 3.883 1.00 0.00 H new ATOM 0 HG3 ARG A 22 15.937 -13.093 4.694 1.00 0.00 H new ATOM 0 HD2 ARG A 22 17.845 -11.810 5.639 1.00 0.00 H new ATOM 0 HD3 ARG A 22 17.102 -12.838 6.849 1.00 0.00 H new ATOM 0 HE ARG A 22 19.249 -14.270 5.561 1.00 0.00 H new ATOM 0 HH11 ARG A 22 18.850 -11.539 7.808 1.00 0.00 H new ATOM 0 HH12 ARG A 22 20.362 -11.895 8.650 1.00 0.00 H new ATOM 0 HH21 ARG A 22 21.125 -14.705 6.675 1.00 0.00 H new ATOM 0 HH22 ARG A 22 21.639 -13.672 8.013 1.00 0.00 H new ATOM 350 N ASP A 23 15.281 -17.815 5.215 1.00 0.00 N ATOM 351 CA ASP A 23 15.355 -19.141 5.868 1.00 0.00 C ATOM 352 C ASP A 23 14.875 -20.244 4.923 1.00 0.00 C ATOM 353 O ASP A 23 15.631 -21.145 4.559 1.00 0.00 O ATOM 354 CB ASP A 23 14.515 -19.169 7.180 1.00 0.00 C ATOM 355 CG ASP A 23 14.970 -18.156 8.237 1.00 0.00 C ATOM 356 OD1 ASP A 23 16.186 -17.933 8.387 1.00 0.00 O ATOM 357 OD2 ASP A 23 14.111 -17.587 8.948 1.00 0.00 O ATOM 0 H ASP A 23 14.477 -17.258 5.506 1.00 0.00 H new ATOM 0 HA ASP A 23 16.400 -19.323 6.119 1.00 0.00 H new ATOM 0 HB2 ASP A 23 13.471 -18.977 6.934 1.00 0.00 H new ATOM 0 HB3 ASP A 23 14.563 -20.170 7.608 1.00 0.00 H new ATOM 362 N VAL A 24 13.605 -20.140 4.524 1.00 0.00 N ATOM 363 CA VAL A 24 12.919 -21.150 3.711 1.00 0.00 C ATOM 364 C VAL A 24 13.378 -21.081 2.248 1.00 0.00 C ATOM 365 O VAL A 24 13.777 -22.092 1.674 1.00 0.00 O ATOM 366 CB VAL A 24 11.355 -20.949 3.801 1.00 0.00 C ATOM 367 CG1 VAL A 24 10.589 -21.982 2.932 1.00 0.00 C ATOM 368 CG2 VAL A 24 10.878 -20.977 5.281 1.00 0.00 C ATOM 0 H VAL A 24 13.015 -19.342 4.759 1.00 0.00 H new ATOM 0 HA VAL A 24 13.175 -22.135 4.102 1.00 0.00 H new ATOM 0 HB VAL A 24 11.124 -19.964 3.394 1.00 0.00 H new ATOM 0 HG11 VAL A 24 9.517 -21.809 3.022 1.00 0.00 H new ATOM 0 HG12 VAL A 24 10.888 -21.873 1.889 1.00 0.00 H new ATOM 0 HG13 VAL A 24 10.824 -22.990 3.273 1.00 0.00 H new ATOM 0 HG21 VAL A 24 9.798 -20.837 5.318 1.00 0.00 H new ATOM 0 HG22 VAL A 24 11.135 -21.938 5.728 1.00 0.00 H new ATOM 0 HG23 VAL A 24 11.367 -20.176 5.836 1.00 0.00 H new ATOM 378 N PHE A 25 13.356 -19.873 1.670 1.00 0.00 N ATOM 379 CA PHE A 25 13.580 -19.675 0.223 1.00 0.00 C ATOM 380 C PHE A 25 15.064 -19.401 -0.102 1.00 0.00 C ATOM 381 O PHE A 25 15.439 -19.377 -1.274 1.00 0.00 O ATOM 382 CB PHE A 25 12.637 -18.558 -0.294 1.00 0.00 C ATOM 383 CG PHE A 25 11.157 -18.891 -0.058 1.00 0.00 C ATOM 384 CD1 PHE A 25 10.481 -19.773 -0.904 1.00 0.00 C ATOM 385 CD2 PHE A 25 10.454 -18.344 1.013 1.00 0.00 C ATOM 386 CE1 PHE A 25 9.160 -20.107 -0.678 1.00 0.00 C ATOM 387 CE2 PHE A 25 9.131 -18.685 1.240 1.00 0.00 C ATOM 388 CZ PHE A 25 8.483 -19.556 0.389 1.00 0.00 C ATOM 0 H PHE A 25 13.184 -19.008 2.183 1.00 0.00 H new ATOM 0 HA PHE A 25 13.336 -20.598 -0.303 1.00 0.00 H new ATOM 0 HB2 PHE A 25 12.880 -17.620 0.205 1.00 0.00 H new ATOM 0 HB3 PHE A 25 12.808 -18.406 -1.360 1.00 0.00 H new ATOM 0 HD1 PHE A 25 11.000 -20.201 -1.749 1.00 0.00 H new ATOM 0 HD2 PHE A 25 10.946 -17.646 1.674 1.00 0.00 H new ATOM 0 HE1 PHE A 25 8.658 -20.800 -1.337 1.00 0.00 H new ATOM 0 HE2 PHE A 25 8.605 -18.268 2.086 1.00 0.00 H new ATOM 0 HZ PHE A 25 7.446 -19.806 0.558 1.00 0.00 H new ATOM 398 N GLY A 26 15.900 -19.202 0.942 1.00 0.00 N ATOM 399 CA GLY A 26 17.361 -19.170 0.780 1.00 0.00 C ATOM 400 C GLY A 26 17.924 -17.865 0.215 1.00 0.00 C ATOM 401 O GLY A 26 19.078 -17.832 -0.229 1.00 0.00 O ATOM 0 H GLY A 26 15.583 -19.062 1.901 1.00 0.00 H new ATOM 0 HA2 GLY A 26 17.822 -19.357 1.750 1.00 0.00 H new ATOM 0 HA3 GLY A 26 17.656 -19.989 0.124 1.00 0.00 H new ATOM 405 N ALA A 27 17.122 -16.790 0.246 1.00 0.00 N ATOM 406 CA ALA A 27 17.545 -15.449 -0.192 1.00 0.00 C ATOM 407 C ALA A 27 18.581 -14.855 0.775 1.00 0.00 C ATOM 408 O ALA A 27 18.393 -14.879 1.993 1.00 0.00 O ATOM 409 CB ALA A 27 16.335 -14.518 -0.308 1.00 0.00 C ATOM 0 H ALA A 27 16.158 -16.825 0.577 1.00 0.00 H new ATOM 0 HA ALA A 27 18.010 -15.546 -1.173 1.00 0.00 H new ATOM 0 HB1 ALA A 27 16.665 -13.531 -0.633 1.00 0.00 H new ATOM 0 HB2 ALA A 27 15.632 -14.923 -1.036 1.00 0.00 H new ATOM 0 HB3 ALA A 27 15.845 -14.436 0.662 1.00 0.00 H new ATOM 415 N SER A 28 19.677 -14.333 0.217 1.00 0.00 N ATOM 416 CA SER A 28 20.772 -13.743 0.995 1.00 0.00 C ATOM 417 C SER A 28 20.451 -12.287 1.370 1.00 0.00 C ATOM 418 O SER A 28 19.538 -11.683 0.822 1.00 0.00 O ATOM 419 CB SER A 28 22.068 -13.839 0.174 1.00 0.00 C ATOM 420 OG SER A 28 22.317 -15.176 -0.233 1.00 0.00 O ATOM 0 H SER A 28 19.831 -14.307 -0.791 1.00 0.00 H new ATOM 0 HA SER A 28 20.899 -14.292 1.928 1.00 0.00 H new ATOM 0 HB2 SER A 28 21.995 -13.196 -0.703 1.00 0.00 H new ATOM 0 HB3 SER A 28 22.906 -13.474 0.768 1.00 0.00 H new ATOM 0 HG SER A 28 23.146 -15.210 -0.755 1.00 0.00 H new ATOM 426 N GLU A 29 21.278 -11.718 2.255 1.00 0.00 N ATOM 427 CA GLU A 29 21.029 -10.394 2.867 1.00 0.00 C ATOM 428 C GLU A 29 21.066 -9.255 1.818 1.00 0.00 C ATOM 429 O GLU A 29 20.345 -8.258 1.944 1.00 0.00 O ATOM 430 CB GLU A 29 22.058 -10.155 3.983 1.00 0.00 C ATOM 431 CG GLU A 29 22.001 -11.207 5.101 1.00 0.00 C ATOM 432 CD GLU A 29 23.117 -11.042 6.142 1.00 0.00 C ATOM 433 OE1 GLU A 29 23.008 -10.142 7.001 1.00 0.00 O ATOM 434 OE2 GLU A 29 24.124 -11.787 6.096 1.00 0.00 O ATOM 0 H GLU A 29 22.142 -12.158 2.572 1.00 0.00 H new ATOM 0 HA GLU A 29 20.025 -10.389 3.292 1.00 0.00 H new ATOM 0 HB2 GLU A 29 23.058 -10.150 3.550 1.00 0.00 H new ATOM 0 HB3 GLU A 29 21.892 -9.168 4.414 1.00 0.00 H new ATOM 0 HG2 GLU A 29 21.034 -11.145 5.601 1.00 0.00 H new ATOM 0 HG3 GLU A 29 22.068 -12.201 4.660 1.00 0.00 H new ATOM 441 N GLN A 30 21.882 -9.456 0.764 1.00 0.00 N ATOM 442 CA GLN A 30 22.000 -8.517 -0.372 1.00 0.00 C ATOM 443 C GLN A 30 20.803 -8.690 -1.335 1.00 0.00 C ATOM 444 O GLN A 30 20.383 -7.739 -2.001 1.00 0.00 O ATOM 445 CB GLN A 30 23.346 -8.759 -1.099 1.00 0.00 C ATOM 446 CG GLN A 30 24.594 -8.507 -0.220 1.00 0.00 C ATOM 447 CD GLN A 30 25.918 -8.802 -0.930 1.00 0.00 C ATOM 448 OE1 GLN A 30 26.036 -8.659 -2.146 1.00 0.00 O ATOM 449 NE2 GLN A 30 26.930 -9.208 -0.171 1.00 0.00 N ATOM 0 H GLN A 30 22.481 -10.277 0.675 1.00 0.00 H new ATOM 0 HA GLN A 30 21.983 -7.491 -0.004 1.00 0.00 H new ATOM 0 HB2 GLN A 30 23.371 -9.787 -1.461 1.00 0.00 H new ATOM 0 HB3 GLN A 30 23.395 -8.112 -1.975 1.00 0.00 H new ATOM 0 HG2 GLN A 30 24.592 -7.468 0.108 1.00 0.00 H new ATOM 0 HG3 GLN A 30 24.527 -9.124 0.676 1.00 0.00 H new ATOM 0 HE21 GLN A 30 26.801 -9.317 0.835 1.00 0.00 H new ATOM 0 HE22 GLN A 30 27.836 -9.410 -0.594 1.00 0.00 H new ATOM 458 N ALA A 31 20.257 -9.921 -1.368 1.00 0.00 N ATOM 459 CA ALA A 31 19.070 -10.282 -2.172 1.00 0.00 C ATOM 460 C ALA A 31 17.785 -9.777 -1.500 1.00 0.00 C ATOM 461 O ALA A 31 16.774 -9.523 -2.181 1.00 0.00 O ATOM 462 CB ALA A 31 19.001 -11.805 -2.387 1.00 0.00 C ATOM 0 H ALA A 31 20.631 -10.703 -0.831 1.00 0.00 H new ATOM 0 HA ALA A 31 19.161 -9.801 -3.146 1.00 0.00 H new ATOM 0 HB1 ALA A 31 18.120 -12.049 -2.981 1.00 0.00 H new ATOM 0 HB2 ALA A 31 19.896 -12.139 -2.911 1.00 0.00 H new ATOM 0 HB3 ALA A 31 18.938 -12.306 -1.421 1.00 0.00 H new ATOM 468 N ILE A 32 17.842 -9.588 -0.159 1.00 0.00 N ATOM 469 CA ILE A 32 16.687 -9.144 0.631 1.00 0.00 C ATOM 470 C ILE A 32 16.570 -7.633 0.465 1.00 0.00 C ATOM 471 O ILE A 32 15.514 -7.135 0.125 1.00 0.00 O ATOM 472 CB ILE A 32 16.840 -9.499 2.156 1.00 0.00 C ATOM 473 CG1 ILE A 32 16.910 -11.030 2.370 1.00 0.00 C ATOM 474 CG2 ILE A 32 15.715 -8.880 3.024 1.00 0.00 C ATOM 475 CD1 ILE A 32 15.676 -11.793 1.946 1.00 0.00 C ATOM 0 H ILE A 32 18.686 -9.740 0.393 1.00 0.00 H new ATOM 0 HA ILE A 32 15.794 -9.656 0.274 1.00 0.00 H new ATOM 0 HB ILE A 32 17.781 -9.058 2.484 1.00 0.00 H new ATOM 0 HG12 ILE A 32 17.766 -11.420 1.819 1.00 0.00 H new ATOM 0 HG13 ILE A 32 17.094 -11.226 3.426 1.00 0.00 H new ATOM 0 HG21 ILE A 32 15.867 -9.155 4.068 1.00 0.00 H new ATOM 0 HG22 ILE A 32 15.737 -7.794 2.928 1.00 0.00 H new ATOM 0 HG23 ILE A 32 14.748 -9.254 2.688 1.00 0.00 H new ATOM 0 HD11 ILE A 32 15.823 -12.856 2.136 1.00 0.00 H new ATOM 0 HD12 ILE A 32 14.816 -11.438 2.514 1.00 0.00 H new ATOM 0 HD13 ILE A 32 15.498 -11.635 0.882 1.00 0.00 H new ATOM 487 N ALA A 33 17.675 -6.929 0.784 1.00 0.00 N ATOM 488 CA ALA A 33 17.847 -5.486 0.531 1.00 0.00 C ATOM 489 C ALA A 33 17.508 -5.059 -0.917 1.00 0.00 C ATOM 490 O ALA A 33 16.979 -3.968 -1.121 1.00 0.00 O ATOM 491 CB ALA A 33 19.282 -5.085 0.893 1.00 0.00 C ATOM 0 H ALA A 33 18.486 -7.356 1.232 1.00 0.00 H new ATOM 0 HA ALA A 33 17.130 -4.960 1.162 1.00 0.00 H new ATOM 0 HB1 ALA A 33 19.419 -4.019 0.709 1.00 0.00 H new ATOM 0 HB2 ALA A 33 19.465 -5.298 1.946 1.00 0.00 H new ATOM 0 HB3 ALA A 33 19.984 -5.652 0.281 1.00 0.00 H new ATOM 497 N ASP A 34 17.880 -5.894 -1.908 1.00 0.00 N ATOM 498 CA ASP A 34 17.470 -5.704 -3.325 1.00 0.00 C ATOM 499 C ASP A 34 15.934 -5.658 -3.459 1.00 0.00 C ATOM 500 O ASP A 34 15.367 -4.707 -4.015 1.00 0.00 O ATOM 501 CB ASP A 34 18.037 -6.855 -4.194 1.00 0.00 C ATOM 502 CG ASP A 34 17.746 -6.708 -5.698 1.00 0.00 C ATOM 503 OD1 ASP A 34 18.274 -5.769 -6.331 1.00 0.00 O ATOM 504 OD2 ASP A 34 16.986 -7.528 -6.258 1.00 0.00 O ATOM 0 H ASP A 34 18.468 -6.714 -1.757 1.00 0.00 H new ATOM 0 HA ASP A 34 17.871 -4.751 -3.671 1.00 0.00 H new ATOM 0 HB2 ASP A 34 19.116 -6.909 -4.047 1.00 0.00 H new ATOM 0 HB3 ASP A 34 17.620 -7.799 -3.845 1.00 0.00 H new ATOM 509 N ALA A 35 15.286 -6.704 -2.926 1.00 0.00 N ATOM 510 CA ALA A 35 13.819 -6.845 -2.937 1.00 0.00 C ATOM 511 C ALA A 35 13.131 -5.796 -2.030 1.00 0.00 C ATOM 512 O ALA A 35 11.967 -5.472 -2.227 1.00 0.00 O ATOM 513 CB ALA A 35 13.436 -8.266 -2.511 1.00 0.00 C ATOM 0 H ALA A 35 15.766 -7.481 -2.472 1.00 0.00 H new ATOM 0 HA ALA A 35 13.468 -6.665 -3.953 1.00 0.00 H new ATOM 0 HB1 ALA A 35 12.351 -8.368 -2.520 1.00 0.00 H new ATOM 0 HB2 ALA A 35 13.874 -8.984 -3.204 1.00 0.00 H new ATOM 0 HB3 ALA A 35 13.810 -8.458 -1.505 1.00 0.00 H new ATOM 519 N ARG A 36 13.868 -5.309 -1.013 1.00 0.00 N ATOM 520 CA ARG A 36 13.408 -4.237 -0.110 1.00 0.00 C ATOM 521 C ARG A 36 13.326 -2.935 -0.890 1.00 0.00 C ATOM 522 O ARG A 36 12.303 -2.257 -0.877 1.00 0.00 O ATOM 523 CB ARG A 36 14.339 -4.081 1.131 1.00 0.00 C ATOM 524 CG ARG A 36 14.103 -2.787 1.959 1.00 0.00 C ATOM 525 CD ARG A 36 15.000 -2.682 3.212 1.00 0.00 C ATOM 526 NE ARG A 36 14.524 -3.540 4.318 1.00 0.00 N ATOM 527 CZ ARG A 36 14.013 -3.090 5.484 1.00 0.00 C ATOM 528 NH1 ARG A 36 13.883 -1.782 5.711 1.00 0.00 N ATOM 529 NH2 ARG A 36 13.623 -3.955 6.413 1.00 0.00 N ATOM 0 H ARG A 36 14.804 -5.650 -0.794 1.00 0.00 H new ATOM 0 HA ARG A 36 12.421 -4.502 0.270 1.00 0.00 H new ATOM 0 HB2 ARG A 36 14.201 -4.944 1.783 1.00 0.00 H new ATOM 0 HB3 ARG A 36 15.376 -4.098 0.795 1.00 0.00 H new ATOM 0 HG2 ARG A 36 14.280 -1.921 1.322 1.00 0.00 H new ATOM 0 HG3 ARG A 36 13.058 -2.748 2.266 1.00 0.00 H new ATOM 0 HD2 ARG A 36 16.020 -2.964 2.950 1.00 0.00 H new ATOM 0 HD3 ARG A 36 15.032 -1.645 3.547 1.00 0.00 H new ATOM 0 HE ARG A 36 14.586 -4.550 4.190 1.00 0.00 H new ATOM 0 HH11 ARG A 36 14.171 -1.110 5.000 1.00 0.00 H new ATOM 0 HH12 ARG A 36 13.496 -1.454 6.596 1.00 0.00 H new ATOM 0 HH21 ARG A 36 13.710 -4.957 6.245 1.00 0.00 H new ATOM 0 HH22 ARG A 36 13.237 -3.617 7.294 1.00 0.00 H new ATOM 543 N LYS A 37 14.421 -2.641 -1.595 1.00 0.00 N ATOM 544 CA LYS A 37 14.549 -1.493 -2.500 1.00 0.00 C ATOM 545 C LYS A 37 13.443 -1.506 -3.562 1.00 0.00 C ATOM 546 O LYS A 37 12.934 -0.463 -3.919 1.00 0.00 O ATOM 547 CB LYS A 37 15.946 -1.545 -3.185 1.00 0.00 C ATOM 548 CG LYS A 37 16.165 -0.599 -4.404 1.00 0.00 C ATOM 549 CD LYS A 37 17.399 -1.008 -5.245 1.00 0.00 C ATOM 550 CE LYS A 37 17.269 -2.447 -5.799 1.00 0.00 C ATOM 551 NZ LYS A 37 18.443 -2.867 -6.598 1.00 0.00 N ATOM 0 H LYS A 37 15.267 -3.209 -1.552 1.00 0.00 H new ATOM 0 HA LYS A 37 14.450 -0.573 -1.924 1.00 0.00 H new ATOM 0 HB2 LYS A 37 16.702 -1.313 -2.434 1.00 0.00 H new ATOM 0 HB3 LYS A 37 16.126 -2.569 -3.513 1.00 0.00 H new ATOM 0 HG2 LYS A 37 15.277 -0.611 -5.035 1.00 0.00 H new ATOM 0 HG3 LYS A 37 16.291 0.424 -4.050 1.00 0.00 H new ATOM 0 HD2 LYS A 37 17.521 -0.310 -6.073 1.00 0.00 H new ATOM 0 HD3 LYS A 37 18.297 -0.935 -4.631 1.00 0.00 H new ATOM 0 HE2 LYS A 37 17.135 -3.140 -4.968 1.00 0.00 H new ATOM 0 HE3 LYS A 37 16.373 -2.513 -6.417 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 18.519 -3.904 -6.585 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 18.330 -2.540 -7.579 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 19.306 -2.452 -6.192 1.00 0.00 H new ATOM 565 N ALA A 38 13.054 -2.716 -4.000 1.00 0.00 N ATOM 566 CA ALA A 38 12.113 -2.926 -5.107 1.00 0.00 C ATOM 567 C ALA A 38 10.649 -2.739 -4.629 1.00 0.00 C ATOM 568 O ALA A 38 9.843 -2.054 -5.292 1.00 0.00 O ATOM 569 CB ALA A 38 12.328 -4.333 -5.683 1.00 0.00 C ATOM 0 H ALA A 38 13.391 -3.586 -3.587 1.00 0.00 H new ATOM 0 HA ALA A 38 12.297 -2.186 -5.886 1.00 0.00 H new ATOM 0 HB1 ALA A 38 11.633 -4.499 -6.506 1.00 0.00 H new ATOM 0 HB2 ALA A 38 13.351 -4.425 -6.047 1.00 0.00 H new ATOM 0 HB3 ALA A 38 12.152 -5.076 -4.905 1.00 0.00 H new ATOM 575 N THR A 39 10.321 -3.355 -3.467 1.00 0.00 N ATOM 576 CA THR A 39 8.986 -3.242 -2.845 1.00 0.00 C ATOM 577 C THR A 39 8.733 -1.783 -2.450 1.00 0.00 C ATOM 578 O THR A 39 7.806 -1.172 -2.966 1.00 0.00 O ATOM 579 CB THR A 39 8.833 -4.168 -1.586 1.00 0.00 C ATOM 580 OG1 THR A 39 9.094 -5.527 -1.943 1.00 0.00 O ATOM 581 CG2 THR A 39 7.427 -4.075 -0.957 1.00 0.00 C ATOM 0 H THR A 39 10.971 -3.939 -2.941 1.00 0.00 H new ATOM 0 HA THR A 39 8.249 -3.570 -3.578 1.00 0.00 H new ATOM 0 HB THR A 39 9.557 -3.823 -0.848 1.00 0.00 H new ATOM 0 HG1 THR A 39 10.059 -5.655 -2.059 1.00 0.00 H new ATOM 0 HG21 THR A 39 7.372 -4.734 -0.090 1.00 0.00 H new ATOM 0 HG22 THR A 39 7.235 -3.048 -0.645 1.00 0.00 H new ATOM 0 HG23 THR A 39 6.680 -4.377 -1.690 1.00 0.00 H new ATOM 589 N ILE A 40 9.628 -1.236 -1.594 1.00 0.00 N ATOM 590 CA ILE A 40 9.574 0.168 -1.111 1.00 0.00 C ATOM 591 C ILE A 40 9.420 1.150 -2.286 1.00 0.00 C ATOM 592 O ILE A 40 8.538 1.994 -2.256 1.00 0.00 O ATOM 593 CB ILE A 40 10.850 0.523 -0.227 1.00 0.00 C ATOM 594 CG1 ILE A 40 10.817 -0.256 1.139 1.00 0.00 C ATOM 595 CG2 ILE A 40 11.011 2.050 0.004 1.00 0.00 C ATOM 596 CD1 ILE A 40 9.654 0.095 2.055 1.00 0.00 C ATOM 0 H ILE A 40 10.416 -1.760 -1.214 1.00 0.00 H new ATOM 0 HA ILE A 40 8.694 0.268 -0.475 1.00 0.00 H new ATOM 0 HB ILE A 40 11.726 0.200 -0.790 1.00 0.00 H new ATOM 0 HG12 ILE A 40 10.784 -1.325 0.929 1.00 0.00 H new ATOM 0 HG13 ILE A 40 11.749 -0.065 1.671 1.00 0.00 H new ATOM 0 HG21 ILE A 40 11.896 2.235 0.612 1.00 0.00 H new ATOM 0 HG22 ILE A 40 11.119 2.554 -0.956 1.00 0.00 H new ATOM 0 HG23 ILE A 40 10.131 2.435 0.518 1.00 0.00 H new ATOM 0 HD11 ILE A 40 9.720 -0.494 2.970 1.00 0.00 H new ATOM 0 HD12 ILE A 40 9.694 1.156 2.303 1.00 0.00 H new ATOM 0 HD13 ILE A 40 8.714 -0.124 1.549 1.00 0.00 H new ATOM 608 N LEU A 41 10.235 0.933 -3.342 1.00 0.00 N ATOM 609 CA LEU A 41 10.218 1.722 -4.600 1.00 0.00 C ATOM 610 C LEU A 41 8.788 1.946 -5.111 1.00 0.00 C ATOM 611 O LEU A 41 8.323 3.094 -5.201 1.00 0.00 O ATOM 612 CB LEU A 41 11.028 0.951 -5.675 1.00 0.00 C ATOM 613 CG LEU A 41 10.998 1.479 -7.153 1.00 0.00 C ATOM 614 CD1 LEU A 41 12.158 2.459 -7.425 1.00 0.00 C ATOM 615 CD2 LEU A 41 10.973 0.291 -8.148 1.00 0.00 C ATOM 0 H LEU A 41 10.936 0.192 -3.347 1.00 0.00 H new ATOM 0 HA LEU A 41 10.659 2.699 -4.402 1.00 0.00 H new ATOM 0 HB2 LEU A 41 12.069 0.926 -5.352 1.00 0.00 H new ATOM 0 HB3 LEU A 41 10.672 -0.079 -5.683 1.00 0.00 H new ATOM 0 HG LEU A 41 10.080 2.048 -7.303 1.00 0.00 H new ATOM 0 HD11 LEU A 41 12.107 2.805 -8.457 1.00 0.00 H new ATOM 0 HD12 LEU A 41 12.079 3.312 -6.752 1.00 0.00 H new ATOM 0 HD13 LEU A 41 13.109 1.953 -7.258 1.00 0.00 H new ATOM 0 HD21 LEU A 41 10.952 0.672 -9.169 1.00 0.00 H new ATOM 0 HD22 LEU A 41 11.864 -0.321 -8.007 1.00 0.00 H new ATOM 0 HD23 LEU A 41 10.085 -0.315 -7.969 1.00 0.00 H new ATOM 627 N GLN A 42 8.078 0.834 -5.348 1.00 0.00 N ATOM 628 CA GLN A 42 6.734 0.855 -5.955 1.00 0.00 C ATOM 629 C GLN A 42 5.680 1.255 -4.896 1.00 0.00 C ATOM 630 O GLN A 42 4.723 1.950 -5.208 1.00 0.00 O ATOM 631 CB GLN A 42 6.418 -0.549 -6.564 1.00 0.00 C ATOM 632 CG GLN A 42 5.030 -0.692 -7.231 1.00 0.00 C ATOM 633 CD GLN A 42 4.803 0.249 -8.422 1.00 0.00 C ATOM 634 OE1 GLN A 42 4.299 1.364 -8.266 1.00 0.00 O ATOM 635 NE2 GLN A 42 5.151 -0.206 -9.619 1.00 0.00 N ATOM 0 H GLN A 42 8.415 -0.103 -5.126 1.00 0.00 H new ATOM 0 HA GLN A 42 6.703 1.595 -6.755 1.00 0.00 H new ATOM 0 HB2 GLN A 42 7.183 -0.784 -7.304 1.00 0.00 H new ATOM 0 HB3 GLN A 42 6.500 -1.295 -5.773 1.00 0.00 H new ATOM 0 HG2 GLN A 42 4.905 -1.721 -7.567 1.00 0.00 H new ATOM 0 HG3 GLN A 42 4.259 -0.505 -6.483 1.00 0.00 H new ATOM 0 HE21 GLN A 42 5.566 -1.133 -9.711 1.00 0.00 H new ATOM 0 HE22 GLN A 42 5.004 0.372 -10.447 1.00 0.00 H new ATOM 644 N THR A 43 5.931 0.852 -3.638 1.00 0.00 N ATOM 645 CA THR A 43 4.986 1.022 -2.507 1.00 0.00 C ATOM 646 C THR A 43 4.847 2.502 -2.088 1.00 0.00 C ATOM 647 O THR A 43 3.783 2.896 -1.633 1.00 0.00 O ATOM 648 CB THR A 43 5.401 0.139 -1.271 1.00 0.00 C ATOM 649 OG1 THR A 43 5.406 -1.249 -1.655 1.00 0.00 O ATOM 650 CG2 THR A 43 4.470 0.317 -0.041 1.00 0.00 C ATOM 0 H THR A 43 6.802 0.394 -3.370 1.00 0.00 H new ATOM 0 HA THR A 43 4.012 0.682 -2.860 1.00 0.00 H new ATOM 0 HB THR A 43 6.395 0.472 -0.971 1.00 0.00 H new ATOM 0 HG1 THR A 43 6.221 -1.445 -2.163 1.00 0.00 H new ATOM 0 HG21 THR A 43 4.816 -0.321 0.772 1.00 0.00 H new ATOM 0 HG22 THR A 43 4.488 1.358 0.282 1.00 0.00 H new ATOM 0 HG23 THR A 43 3.452 0.039 -0.312 1.00 0.00 H new ATOM 658 N LEU A 44 5.911 3.321 -2.255 1.00 0.00 N ATOM 659 CA LEU A 44 5.837 4.771 -1.955 1.00 0.00 C ATOM 660 C LEU A 44 4.857 5.448 -2.927 1.00 0.00 C ATOM 661 O LEU A 44 4.068 6.319 -2.538 1.00 0.00 O ATOM 662 CB LEU A 44 7.230 5.460 -2.035 1.00 0.00 C ATOM 663 CG LEU A 44 8.365 4.868 -1.136 1.00 0.00 C ATOM 664 CD1 LEU A 44 9.595 5.802 -1.091 1.00 0.00 C ATOM 665 CD2 LEU A 44 7.842 4.496 0.271 1.00 0.00 C ATOM 0 H LEU A 44 6.821 3.008 -2.592 1.00 0.00 H new ATOM 0 HA LEU A 44 5.481 4.881 -0.931 1.00 0.00 H new ATOM 0 HB2 LEU A 44 7.566 5.427 -3.071 1.00 0.00 H new ATOM 0 HB3 LEU A 44 7.104 6.511 -1.774 1.00 0.00 H new ATOM 0 HG LEU A 44 8.701 3.937 -1.593 1.00 0.00 H new ATOM 0 HD11 LEU A 44 10.364 5.360 -0.458 1.00 0.00 H new ATOM 0 HD12 LEU A 44 9.987 5.936 -2.099 1.00 0.00 H new ATOM 0 HD13 LEU A 44 9.302 6.770 -0.684 1.00 0.00 H new ATOM 0 HD21 LEU A 44 8.659 4.088 0.867 1.00 0.00 H new ATOM 0 HD22 LEU A 44 7.446 5.387 0.759 1.00 0.00 H new ATOM 0 HD23 LEU A 44 7.052 3.751 0.180 1.00 0.00 H new ATOM 677 N ARG A 45 4.915 4.993 -4.190 1.00 0.00 N ATOM 678 CA ARG A 45 4.037 5.449 -5.274 1.00 0.00 C ATOM 679 C ARG A 45 2.592 5.010 -4.951 1.00 0.00 C ATOM 680 O ARG A 45 1.686 5.836 -4.936 1.00 0.00 O ATOM 681 CB ARG A 45 4.567 4.880 -6.638 1.00 0.00 C ATOM 682 CG ARG A 45 4.026 5.554 -7.934 1.00 0.00 C ATOM 683 CD ARG A 45 2.568 5.199 -8.271 1.00 0.00 C ATOM 684 NE ARG A 45 2.393 3.749 -8.433 1.00 0.00 N ATOM 685 CZ ARG A 45 1.228 3.096 -8.384 1.00 0.00 C ATOM 686 NH1 ARG A 45 0.094 3.730 -8.119 1.00 0.00 N ATOM 687 NH2 ARG A 45 1.214 1.792 -8.578 1.00 0.00 N ATOM 0 H ARG A 45 5.586 4.285 -4.489 1.00 0.00 H new ATOM 0 HA ARG A 45 4.037 6.535 -5.364 1.00 0.00 H new ATOM 0 HB2 ARG A 45 5.654 4.960 -6.641 1.00 0.00 H new ATOM 0 HB3 ARG A 45 4.326 3.818 -6.681 1.00 0.00 H new ATOM 0 HG2 ARG A 45 4.109 6.636 -7.829 1.00 0.00 H new ATOM 0 HG3 ARG A 45 4.661 5.265 -8.772 1.00 0.00 H new ATOM 0 HD2 ARG A 45 1.912 5.560 -7.479 1.00 0.00 H new ATOM 0 HD3 ARG A 45 2.271 5.708 -9.188 1.00 0.00 H new ATOM 0 HE ARG A 45 3.233 3.193 -8.597 1.00 0.00 H new ATOM 0 HH11 ARG A 45 0.100 4.736 -7.948 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -0.784 3.212 -8.086 1.00 0.00 H new ATOM 0 HH21 ARG A 45 2.085 1.294 -8.763 1.00 0.00 H new ATOM 0 HH22 ARG A 45 0.332 1.281 -8.543 1.00 0.00 H new ATOM 701 N ILE A 46 2.410 3.711 -4.643 1.00 0.00 N ATOM 702 CA ILE A 46 1.077 3.119 -4.369 1.00 0.00 C ATOM 703 C ILE A 46 0.390 3.817 -3.176 1.00 0.00 C ATOM 704 O ILE A 46 -0.703 4.329 -3.330 1.00 0.00 O ATOM 705 CB ILE A 46 1.174 1.564 -4.103 1.00 0.00 C ATOM 706 CG1 ILE A 46 1.731 0.818 -5.354 1.00 0.00 C ATOM 707 CG2 ILE A 46 -0.204 0.971 -3.680 1.00 0.00 C ATOM 708 CD1 ILE A 46 1.971 -0.675 -5.162 1.00 0.00 C ATOM 0 H ILE A 46 3.177 3.041 -4.576 1.00 0.00 H new ATOM 0 HA ILE A 46 0.470 3.275 -5.261 1.00 0.00 H new ATOM 0 HB ILE A 46 1.869 1.416 -3.277 1.00 0.00 H new ATOM 0 HG12 ILE A 46 1.033 0.955 -6.180 1.00 0.00 H new ATOM 0 HG13 ILE A 46 2.670 1.286 -5.649 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -0.101 -0.100 -3.505 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -0.544 1.457 -2.766 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -0.932 1.141 -4.473 1.00 0.00 H new ATOM 0 HD11 ILE A 46 2.358 -1.103 -6.087 1.00 0.00 H new ATOM 0 HD12 ILE A 46 2.695 -0.827 -4.361 1.00 0.00 H new ATOM 0 HD13 ILE A 46 1.032 -1.164 -4.901 1.00 0.00 H new ATOM 720 N GLU A 47 1.080 3.835 -2.017 1.00 0.00 N ATOM 721 CA GLU A 47 0.589 4.442 -0.749 1.00 0.00 C ATOM 722 C GLU A 47 0.100 5.882 -0.943 1.00 0.00 C ATOM 723 O GLU A 47 -0.975 6.245 -0.462 1.00 0.00 O ATOM 724 CB GLU A 47 1.705 4.407 0.343 1.00 0.00 C ATOM 725 CG GLU A 47 1.636 3.217 1.310 1.00 0.00 C ATOM 726 CD GLU A 47 0.313 3.193 2.108 1.00 0.00 C ATOM 727 OE1 GLU A 47 0.028 4.172 2.841 1.00 0.00 O ATOM 728 OE2 GLU A 47 -0.454 2.216 1.996 1.00 0.00 O ATOM 0 H GLU A 47 2.009 3.423 -1.928 1.00 0.00 H new ATOM 0 HA GLU A 47 -0.262 3.845 -0.422 1.00 0.00 H new ATOM 0 HB2 GLU A 47 2.676 4.396 -0.153 1.00 0.00 H new ATOM 0 HB3 GLU A 47 1.653 5.329 0.922 1.00 0.00 H new ATOM 0 HG2 GLU A 47 1.737 2.288 0.749 1.00 0.00 H new ATOM 0 HG3 GLU A 47 2.476 3.264 2.003 1.00 0.00 H new ATOM 735 N ARG A 48 0.931 6.684 -1.627 1.00 0.00 N ATOM 736 CA ARG A 48 0.609 8.069 -2.012 1.00 0.00 C ATOM 737 C ARG A 48 -0.747 8.128 -2.743 1.00 0.00 C ATOM 738 O ARG A 48 -1.662 8.839 -2.318 1.00 0.00 O ATOM 739 CB ARG A 48 1.775 8.631 -2.883 1.00 0.00 C ATOM 740 CG ARG A 48 1.424 9.842 -3.780 1.00 0.00 C ATOM 741 CD ARG A 48 2.662 10.490 -4.421 1.00 0.00 C ATOM 742 NE ARG A 48 3.521 9.513 -5.119 1.00 0.00 N ATOM 743 CZ ARG A 48 3.595 9.355 -6.448 1.00 0.00 C ATOM 744 NH1 ARG A 48 2.740 9.963 -7.265 1.00 0.00 N ATOM 745 NH2 ARG A 48 4.520 8.556 -6.951 1.00 0.00 N ATOM 0 H ARG A 48 1.857 6.386 -1.933 1.00 0.00 H new ATOM 0 HA ARG A 48 0.510 8.693 -1.124 1.00 0.00 H new ATOM 0 HB2 ARG A 48 2.592 8.918 -2.221 1.00 0.00 H new ATOM 0 HB3 ARG A 48 2.148 7.828 -3.519 1.00 0.00 H new ATOM 0 HG2 ARG A 48 0.741 9.520 -4.566 1.00 0.00 H new ATOM 0 HG3 ARG A 48 0.897 10.588 -3.185 1.00 0.00 H new ATOM 0 HD2 ARG A 48 2.341 11.255 -5.128 1.00 0.00 H new ATOM 0 HD3 ARG A 48 3.244 10.993 -3.649 1.00 0.00 H new ATOM 0 HE ARG A 48 4.106 8.908 -4.542 1.00 0.00 H new ATOM 0 HH11 ARG A 48 2.009 10.564 -6.883 1.00 0.00 H new ATOM 0 HH12 ARG A 48 2.815 9.829 -8.273 1.00 0.00 H new ATOM 0 HH21 ARG A 48 5.166 8.069 -6.330 1.00 0.00 H new ATOM 0 HH22 ARG A 48 4.588 8.426 -7.960 1.00 0.00 H new ATOM 759 N ASP A 49 -0.879 7.307 -3.790 1.00 0.00 N ATOM 760 CA ASP A 49 -2.082 7.256 -4.642 1.00 0.00 C ATOM 761 C ASP A 49 -3.289 6.626 -3.907 1.00 0.00 C ATOM 762 O ASP A 49 -4.428 6.922 -4.257 1.00 0.00 O ATOM 763 CB ASP A 49 -1.763 6.483 -5.949 1.00 0.00 C ATOM 764 CG ASP A 49 -0.897 7.297 -6.933 1.00 0.00 C ATOM 765 OD1 ASP A 49 0.310 7.487 -6.681 1.00 0.00 O ATOM 766 OD2 ASP A 49 -1.429 7.764 -7.962 1.00 0.00 O ATOM 0 H ASP A 49 -0.151 6.652 -4.076 1.00 0.00 H new ATOM 0 HA ASP A 49 -2.365 8.279 -4.889 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -1.247 5.556 -5.700 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -2.697 6.206 -6.438 1.00 0.00 H new ATOM 771 N GLU A 50 -3.030 5.779 -2.880 1.00 0.00 N ATOM 772 CA GLU A 50 -4.100 5.153 -2.062 1.00 0.00 C ATOM 773 C GLU A 50 -4.741 6.195 -1.140 1.00 0.00 C ATOM 774 O GLU A 50 -5.949 6.172 -0.905 1.00 0.00 O ATOM 775 CB GLU A 50 -3.571 3.950 -1.230 1.00 0.00 C ATOM 776 CG GLU A 50 -3.111 2.738 -2.069 1.00 0.00 C ATOM 777 CD GLU A 50 -4.208 2.165 -2.988 1.00 0.00 C ATOM 778 OE1 GLU A 50 -5.060 1.394 -2.505 1.00 0.00 O ATOM 779 OE2 GLU A 50 -4.226 2.488 -4.196 1.00 0.00 O ATOM 0 H GLU A 50 -2.087 5.513 -2.598 1.00 0.00 H new ATOM 0 HA GLU A 50 -4.853 4.768 -2.749 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -2.735 4.289 -0.617 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -4.356 3.625 -0.547 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -2.257 3.033 -2.679 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -2.766 1.952 -1.397 1.00 0.00 H new ATOM 786 N ARG A 51 -3.915 7.115 -0.645 1.00 0.00 N ATOM 787 CA ARG A 51 -4.365 8.199 0.235 1.00 0.00 C ATOM 788 C ARG A 51 -5.061 9.312 -0.582 1.00 0.00 C ATOM 789 O ARG A 51 -5.932 10.016 -0.064 1.00 0.00 O ATOM 790 CB ARG A 51 -3.152 8.737 1.017 1.00 0.00 C ATOM 791 CG ARG A 51 -2.488 7.690 1.946 1.00 0.00 C ATOM 792 CD ARG A 51 -1.278 8.236 2.721 1.00 0.00 C ATOM 793 NE ARG A 51 -0.768 7.253 3.698 1.00 0.00 N ATOM 794 CZ ARG A 51 -0.742 7.430 5.029 1.00 0.00 C ATOM 795 NH1 ARG A 51 -1.173 8.564 5.582 1.00 0.00 N ATOM 796 NH2 ARG A 51 -0.286 6.467 5.805 1.00 0.00 N ATOM 0 H ARG A 51 -2.914 7.132 -0.841 1.00 0.00 H new ATOM 0 HA ARG A 51 -5.101 7.822 0.944 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -2.409 9.103 0.308 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -3.468 9.591 1.616 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -3.229 7.325 2.657 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -2.171 6.835 1.348 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -0.485 8.498 2.021 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -1.561 9.152 3.240 1.00 0.00 H new ATOM 0 HE ARG A 51 -0.408 6.371 3.334 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -1.530 9.315 4.992 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -1.145 8.680 6.595 1.00 0.00 H new ATOM 0 HH21 ARG A 51 0.044 5.594 5.394 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -0.263 6.595 6.817 1.00 0.00 H new ATOM 810 N LEU A 52 -4.670 9.436 -1.866 1.00 0.00 N ATOM 811 CA LEU A 52 -5.253 10.415 -2.813 1.00 0.00 C ATOM 812 C LEU A 52 -6.645 9.955 -3.318 1.00 0.00 C ATOM 813 O LEU A 52 -7.554 10.781 -3.454 1.00 0.00 O ATOM 814 CB LEU A 52 -4.247 10.696 -3.984 1.00 0.00 C ATOM 815 CG LEU A 52 -3.298 11.944 -3.807 1.00 0.00 C ATOM 816 CD1 LEU A 52 -4.066 13.258 -4.027 1.00 0.00 C ATOM 817 CD2 LEU A 52 -2.585 11.947 -2.436 1.00 0.00 C ATOM 0 H LEU A 52 -3.938 8.859 -2.280 1.00 0.00 H new ATOM 0 HA LEU A 52 -5.419 11.357 -2.289 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -3.626 9.811 -4.121 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -4.819 10.829 -4.902 1.00 0.00 H new ATOM 0 HG LEU A 52 -2.525 11.865 -4.571 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -3.388 14.102 -3.899 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -4.478 13.274 -5.036 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -4.877 13.331 -3.302 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -1.943 12.825 -2.362 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -3.328 11.972 -1.639 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -1.980 11.046 -2.339 1.00 0.00 H new ATOM 829 N ARG A 53 -6.820 8.642 -3.564 1.00 0.00 N ATOM 830 CA ARG A 53 -8.137 8.077 -3.956 1.00 0.00 C ATOM 831 C ARG A 53 -9.089 8.033 -2.742 1.00 0.00 C ATOM 832 O ARG A 53 -10.314 8.107 -2.906 1.00 0.00 O ATOM 833 CB ARG A 53 -7.988 6.667 -4.608 1.00 0.00 C ATOM 834 CG ARG A 53 -7.311 5.613 -3.707 1.00 0.00 C ATOM 835 CD ARG A 53 -7.083 4.245 -4.375 1.00 0.00 C ATOM 836 NE ARG A 53 -8.314 3.443 -4.484 1.00 0.00 N ATOM 837 CZ ARG A 53 -8.353 2.097 -4.555 1.00 0.00 C ATOM 838 NH1 ARG A 53 -7.235 1.376 -4.501 1.00 0.00 N ATOM 839 NH2 ARG A 53 -9.520 1.478 -4.671 1.00 0.00 N ATOM 0 H ARG A 53 -6.073 7.951 -3.500 1.00 0.00 H new ATOM 0 HA ARG A 53 -8.572 8.734 -4.709 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -8.977 6.305 -4.889 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -7.411 6.765 -5.527 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -6.350 6.004 -3.374 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -7.923 5.470 -2.816 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -6.667 4.398 -5.371 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -6.342 3.687 -3.803 1.00 0.00 H new ATOM 0 HE ARG A 53 -9.203 3.943 -4.508 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -6.332 1.841 -4.405 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -7.281 0.359 -4.556 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -10.383 2.020 -4.706 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -9.554 0.460 -4.725 1.00 0.00 H new ATOM 853 N ALA A 54 -8.503 7.935 -1.522 1.00 0.00 N ATOM 854 CA ALA A 54 -9.259 7.962 -0.247 1.00 0.00 C ATOM 855 C ALA A 54 -9.873 9.350 0.049 1.00 0.00 C ATOM 856 O ALA A 54 -10.772 9.469 0.892 1.00 0.00 O ATOM 857 CB ALA A 54 -8.359 7.517 0.924 1.00 0.00 C ATOM 0 H ALA A 54 -7.496 7.835 -1.396 1.00 0.00 H new ATOM 0 HA ALA A 54 -10.086 7.260 -0.355 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -8.930 7.543 1.852 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -8.004 6.502 0.745 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -7.506 8.191 1.004 1.00 0.00 H new ATOM 863 N CYS A 55 -9.375 10.393 -0.640 1.00 0.00 N ATOM 864 CA CYS A 55 -9.874 11.779 -0.501 1.00 0.00 C ATOM 865 C CYS A 55 -10.477 12.301 -1.812 1.00 0.00 C ATOM 866 O CYS A 55 -10.898 13.453 -1.880 1.00 0.00 O ATOM 867 CB CYS A 55 -8.720 12.690 -0.055 1.00 0.00 C ATOM 868 SG CYS A 55 -7.255 12.606 -1.102 1.00 0.00 S ATOM 0 H CYS A 55 -8.613 10.301 -1.312 1.00 0.00 H new ATOM 0 HA CYS A 55 -10.666 11.783 0.248 1.00 0.00 H new ATOM 0 HB2 CYS A 55 -9.075 13.720 -0.031 1.00 0.00 H new ATOM 0 HB3 CYS A 55 -8.438 12.426 0.964 1.00 0.00 H new ATOM 0 HG CYS A 55 -7.561 12.042 -2.232 1.00 0.00 H new ATOM 874 N ASP A 56 -10.516 11.451 -2.841 1.00 0.00 N ATOM 875 CA ASP A 56 -11.012 11.836 -4.177 1.00 0.00 C ATOM 876 C ASP A 56 -12.543 12.012 -4.175 1.00 0.00 C ATOM 877 O ASP A 56 -13.072 12.963 -4.771 1.00 0.00 O ATOM 878 CB ASP A 56 -10.577 10.774 -5.217 1.00 0.00 C ATOM 879 CG ASP A 56 -11.032 11.092 -6.649 1.00 0.00 C ATOM 880 OD1 ASP A 56 -10.627 12.146 -7.183 1.00 0.00 O ATOM 881 OD2 ASP A 56 -11.796 10.296 -7.235 1.00 0.00 O ATOM 0 H ASP A 56 -10.208 10.481 -2.779 1.00 0.00 H new ATOM 0 HA ASP A 56 -10.577 12.798 -4.448 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -9.491 10.686 -5.201 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -10.980 9.804 -4.924 1.00 0.00 H new ATOM 886 N TRP A 57 -13.234 11.108 -3.454 1.00 0.00 N ATOM 887 CA TRP A 57 -14.714 11.078 -3.366 1.00 0.00 C ATOM 888 C TRP A 57 -15.292 12.356 -2.714 1.00 0.00 C ATOM 889 O TRP A 57 -16.453 12.680 -2.933 1.00 0.00 O ATOM 890 CB TRP A 57 -15.193 9.815 -2.585 1.00 0.00 C ATOM 891 CG TRP A 57 -14.860 9.813 -1.103 1.00 0.00 C ATOM 892 CD1 TRP A 57 -13.664 9.501 -0.524 1.00 0.00 C ATOM 893 CD2 TRP A 57 -15.748 10.147 -0.011 1.00 0.00 C ATOM 894 NE1 TRP A 57 -13.743 9.642 0.839 1.00 0.00 N ATOM 895 CE2 TRP A 57 -15.013 10.017 1.181 1.00 0.00 C ATOM 896 CE3 TRP A 57 -17.086 10.553 0.069 1.00 0.00 C ATOM 897 CZ2 TRP A 57 -15.567 10.279 2.439 1.00 0.00 C ATOM 898 CZ3 TRP A 57 -17.640 10.802 1.313 1.00 0.00 C ATOM 899 CH2 TRP A 57 -16.881 10.665 2.486 1.00 0.00 C ATOM 0 H TRP A 57 -12.782 10.372 -2.912 1.00 0.00 H new ATOM 0 HA TRP A 57 -15.090 11.034 -4.388 1.00 0.00 H new ATOM 0 HB2 TRP A 57 -16.273 9.723 -2.700 1.00 0.00 H new ATOM 0 HB3 TRP A 57 -14.748 8.932 -3.043 1.00 0.00 H new ATOM 0 HD1 TRP A 57 -12.781 9.188 -1.062 1.00 0.00 H new ATOM 0 HE1 TRP A 57 -12.976 9.491 1.494 1.00 0.00 H new ATOM 0 HE3 TRP A 57 -17.677 10.670 -0.827 1.00 0.00 H new ATOM 0 HZ2 TRP A 57 -14.980 10.181 3.340 1.00 0.00 H new ATOM 0 HZ3 TRP A 57 -18.674 11.107 1.382 1.00 0.00 H new ATOM 0 HH2 TRP A 57 -17.341 10.867 3.442 1.00 0.00 H new ATOM 910 N THR A 58 -14.470 13.053 -1.909 1.00 0.00 N ATOM 911 CA THR A 58 -14.889 14.271 -1.189 1.00 0.00 C ATOM 912 C THR A 58 -14.756 15.527 -2.071 1.00 0.00 C ATOM 913 O THR A 58 -15.399 16.546 -1.814 1.00 0.00 O ATOM 914 CB THR A 58 -14.040 14.469 0.093 1.00 0.00 C ATOM 915 OG1 THR A 58 -12.661 14.616 -0.256 1.00 0.00 O ATOM 916 CG2 THR A 58 -14.189 13.303 1.058 1.00 0.00 C ATOM 0 H THR A 58 -13.499 12.790 -1.739 1.00 0.00 H new ATOM 0 HA THR A 58 -15.937 14.137 -0.922 1.00 0.00 H new ATOM 0 HB THR A 58 -14.402 15.369 0.589 1.00 0.00 H new ATOM 0 HG1 THR A 58 -12.339 13.790 -0.674 1.00 0.00 H new ATOM 0 HG21 THR A 58 -13.578 13.482 1.942 1.00 0.00 H new ATOM 0 HG22 THR A 58 -15.234 13.206 1.353 1.00 0.00 H new ATOM 0 HG23 THR A 58 -13.862 12.384 0.571 1.00 0.00 H new ATOM 924 N GLN A 59 -13.905 15.437 -3.106 1.00 0.00 N ATOM 925 CA GLN A 59 -13.555 16.579 -3.971 1.00 0.00 C ATOM 926 C GLN A 59 -14.382 16.580 -5.266 1.00 0.00 C ATOM 927 O GLN A 59 -14.493 17.619 -5.922 1.00 0.00 O ATOM 928 CB GLN A 59 -12.046 16.532 -4.294 1.00 0.00 C ATOM 929 CG GLN A 59 -11.121 16.480 -3.061 1.00 0.00 C ATOM 930 CD GLN A 59 -11.294 17.667 -2.113 1.00 0.00 C ATOM 931 OE1 GLN A 59 -10.724 18.732 -2.337 1.00 0.00 O ATOM 932 NE2 GLN A 59 -12.017 17.482 -1.018 1.00 0.00 N ATOM 0 H GLN A 59 -13.438 14.569 -3.368 1.00 0.00 H new ATOM 0 HA GLN A 59 -13.786 17.501 -3.437 1.00 0.00 H new ATOM 0 HB2 GLN A 59 -11.849 15.658 -4.915 1.00 0.00 H new ATOM 0 HB3 GLN A 59 -11.788 17.410 -4.887 1.00 0.00 H new ATOM 0 HG2 GLN A 59 -11.312 15.558 -2.513 1.00 0.00 H new ATOM 0 HG3 GLN A 59 -10.085 16.442 -3.397 1.00 0.00 H new ATOM 0 HE21 GLN A 59 -12.480 16.587 -0.857 1.00 0.00 H new ATOM 0 HE22 GLN A 59 -12.111 18.234 -0.336 1.00 0.00 H new ATOM 941 N VAL A 60 -14.937 15.409 -5.637 1.00 0.00 N ATOM 942 CA VAL A 60 -15.844 15.299 -6.804 1.00 0.00 C ATOM 943 C VAL A 60 -17.195 16.000 -6.508 1.00 0.00 C ATOM 944 O VAL A 60 -17.587 16.144 -5.337 1.00 0.00 O ATOM 945 CB VAL A 60 -16.079 13.798 -7.234 1.00 0.00 C ATOM 946 CG1 VAL A 60 -14.739 13.103 -7.606 1.00 0.00 C ATOM 947 CG2 VAL A 60 -16.840 13.007 -6.146 1.00 0.00 C ATOM 0 H VAL A 60 -14.776 14.528 -5.150 1.00 0.00 H new ATOM 0 HA VAL A 60 -15.360 15.802 -7.641 1.00 0.00 H new ATOM 0 HB VAL A 60 -16.706 13.808 -8.126 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -14.933 12.071 -7.898 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -14.272 13.633 -8.436 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -14.071 13.117 -6.745 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -16.983 11.978 -6.477 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -16.263 13.013 -5.221 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -17.811 13.471 -5.971 1.00 0.00 H new ATOM 957 N GLN A 61 -17.889 16.436 -7.575 1.00 0.00 N ATOM 958 CA GLN A 61 -19.170 17.182 -7.470 1.00 0.00 C ATOM 959 C GLN A 61 -20.327 16.292 -6.960 1.00 0.00 C ATOM 960 O GLN A 61 -21.370 16.811 -6.556 1.00 0.00 O ATOM 961 CB GLN A 61 -19.558 17.799 -8.844 1.00 0.00 C ATOM 962 CG GLN A 61 -19.880 16.770 -9.950 1.00 0.00 C ATOM 963 CD GLN A 61 -20.281 17.408 -11.280 1.00 0.00 C ATOM 964 OE1 GLN A 61 -19.815 18.492 -11.632 1.00 0.00 O ATOM 965 NE2 GLN A 61 -21.141 16.735 -12.028 1.00 0.00 N ATOM 0 H GLN A 61 -17.583 16.285 -8.536 1.00 0.00 H new ATOM 0 HA GLN A 61 -19.012 17.977 -6.741 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -20.425 18.444 -8.704 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -18.740 18.434 -9.185 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -19.008 16.135 -10.109 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -20.688 16.123 -9.609 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -21.507 15.839 -11.704 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -21.438 17.112 -12.928 1.00 0.00 H new ATOM 974 N ASP A 62 -20.128 14.951 -7.023 1.00 0.00 N ATOM 975 CA ASP A 62 -21.128 13.949 -6.588 1.00 0.00 C ATOM 976 C ASP A 62 -21.536 14.177 -5.123 1.00 0.00 C ATOM 977 O ASP A 62 -22.721 14.341 -4.813 1.00 0.00 O ATOM 978 CB ASP A 62 -20.573 12.505 -6.781 1.00 0.00 C ATOM 979 CG ASP A 62 -21.563 11.408 -6.335 1.00 0.00 C ATOM 980 OD1 ASP A 62 -22.457 11.043 -7.125 1.00 0.00 O ATOM 981 OD2 ASP A 62 -21.468 10.930 -5.183 1.00 0.00 O ATOM 0 H ASP A 62 -19.267 14.536 -7.378 1.00 0.00 H new ATOM 0 HA ASP A 62 -22.016 14.067 -7.209 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -20.325 12.356 -7.832 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -19.646 12.400 -6.216 1.00 0.00 H new ATOM 986 N VAL A 63 -20.521 14.222 -4.246 1.00 0.00 N ATOM 987 CA VAL A 63 -20.720 14.354 -2.800 1.00 0.00 C ATOM 988 C VAL A 63 -21.176 15.787 -2.457 1.00 0.00 C ATOM 989 O VAL A 63 -20.797 16.751 -3.143 1.00 0.00 O ATOM 990 CB VAL A 63 -19.408 13.985 -2.005 1.00 0.00 C ATOM 991 CG1 VAL A 63 -18.334 15.095 -2.134 1.00 0.00 C ATOM 992 CG2 VAL A 63 -19.718 13.661 -0.525 1.00 0.00 C ATOM 0 H VAL A 63 -19.541 14.168 -4.522 1.00 0.00 H new ATOM 0 HA VAL A 63 -21.498 13.653 -2.498 1.00 0.00 H new ATOM 0 HB VAL A 63 -18.995 13.083 -2.456 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -17.444 14.807 -1.574 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -18.074 15.230 -3.184 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -18.727 16.030 -1.735 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -18.793 13.411 -0.006 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -20.177 14.529 -0.051 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -20.403 12.815 -0.474 1.00 0.00 H new ATOM 1002 N VAL A 64 -21.994 15.911 -1.407 1.00 0.00 N ATOM 1003 CA VAL A 64 -22.475 17.204 -0.900 1.00 0.00 C ATOM 1004 C VAL A 64 -22.039 17.318 0.566 1.00 0.00 C ATOM 1005 O VAL A 64 -22.700 16.790 1.463 1.00 0.00 O ATOM 1006 CB VAL A 64 -24.044 17.362 -1.033 1.00 0.00 C ATOM 1007 CG1 VAL A 64 -24.495 18.788 -0.610 1.00 0.00 C ATOM 1008 CG2 VAL A 64 -24.523 17.026 -2.470 1.00 0.00 C ATOM 0 H VAL A 64 -22.345 15.112 -0.880 1.00 0.00 H new ATOM 0 HA VAL A 64 -22.043 18.006 -1.499 1.00 0.00 H new ATOM 0 HB VAL A 64 -24.511 16.647 -0.355 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -25.577 18.872 -0.710 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -24.212 18.967 0.427 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -24.013 19.527 -1.250 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -25.605 17.144 -2.530 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -24.045 17.701 -3.180 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -24.256 15.997 -2.711 1.00 0.00 H new ATOM 1018 N LEU A 65 -20.874 17.933 0.775 1.00 0.00 N ATOM 1019 CA LEU A 65 -20.308 18.193 2.109 1.00 0.00 C ATOM 1020 C LEU A 65 -20.386 19.704 2.391 1.00 0.00 C ATOM 1021 O LEU A 65 -20.872 20.475 1.553 1.00 0.00 O ATOM 1022 CB LEU A 65 -18.831 17.704 2.147 1.00 0.00 C ATOM 1023 CG LEU A 65 -18.581 16.169 1.969 1.00 0.00 C ATOM 1024 CD1 LEU A 65 -17.089 15.865 1.723 1.00 0.00 C ATOM 1025 CD2 LEU A 65 -19.121 15.364 3.177 1.00 0.00 C ATOM 0 H LEU A 65 -20.285 18.271 0.014 1.00 0.00 H new ATOM 0 HA LEU A 65 -20.870 17.656 2.873 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -18.281 18.229 1.366 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -18.399 18.008 3.100 1.00 0.00 H new ATOM 0 HG LEU A 65 -19.134 15.851 1.085 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -16.951 14.790 1.604 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -16.758 16.376 0.819 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -16.502 16.214 2.572 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -18.931 14.302 3.021 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -18.619 15.692 4.087 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -20.194 15.530 3.275 1.00 0.00 H new ATOM 1037 N THR A 66 -19.932 20.123 3.577 1.00 0.00 N ATOM 1038 CA THR A 66 -19.734 21.550 3.881 1.00 0.00 C ATOM 1039 C THR A 66 -18.397 22.034 3.286 1.00 0.00 C ATOM 1040 O THR A 66 -17.557 21.212 2.873 1.00 0.00 O ATOM 1041 CB THR A 66 -19.754 21.802 5.424 1.00 0.00 C ATOM 1042 OG1 THR A 66 -18.659 21.106 6.042 1.00 0.00 O ATOM 1043 CG2 THR A 66 -21.075 21.340 6.064 1.00 0.00 C ATOM 0 H THR A 66 -19.694 19.496 4.345 1.00 0.00 H new ATOM 0 HA THR A 66 -20.553 22.112 3.432 1.00 0.00 H new ATOM 0 HB THR A 66 -19.659 22.876 5.584 1.00 0.00 H new ATOM 0 HG1 THR A 66 -18.841 20.994 6.998 1.00 0.00 H new ATOM 0 HG21 THR A 66 -21.047 21.533 7.136 1.00 0.00 H new ATOM 0 HG22 THR A 66 -21.906 21.887 5.618 1.00 0.00 H new ATOM 0 HG23 THR A 66 -21.209 20.272 5.891 1.00 0.00 H new ATOM 1051 N ALA A 67 -18.215 23.369 3.223 1.00 0.00 N ATOM 1052 CA ALA A 67 -16.924 23.976 2.838 1.00 0.00 C ATOM 1053 C ALA A 67 -15.816 23.504 3.800 1.00 0.00 C ATOM 1054 O ALA A 67 -14.716 23.175 3.367 1.00 0.00 O ATOM 1055 CB ALA A 67 -17.031 25.510 2.823 1.00 0.00 C ATOM 0 H ALA A 67 -18.946 24.048 3.434 1.00 0.00 H new ATOM 0 HA ALA A 67 -16.665 23.653 1.830 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -16.071 25.939 2.537 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -17.792 25.815 2.105 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -17.306 25.865 3.816 1.00 0.00 H new ATOM 1061 N ASP A 68 -16.167 23.465 5.108 1.00 0.00 N ATOM 1062 CA ASP A 68 -15.309 22.907 6.186 1.00 0.00 C ATOM 1063 C ASP A 68 -14.781 21.504 5.821 1.00 0.00 C ATOM 1064 O ASP A 68 -13.573 21.299 5.745 1.00 0.00 O ATOM 1065 CB ASP A 68 -16.106 22.847 7.524 1.00 0.00 C ATOM 1066 CG ASP A 68 -15.344 22.152 8.678 1.00 0.00 C ATOM 1067 OD1 ASP A 68 -14.586 22.825 9.406 1.00 0.00 O ATOM 1068 OD2 ASP A 68 -15.490 20.916 8.855 1.00 0.00 O ATOM 0 H ASP A 68 -17.060 23.822 5.449 1.00 0.00 H new ATOM 0 HA ASP A 68 -14.449 23.566 6.305 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -16.361 23.862 7.829 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -17.045 22.320 7.353 1.00 0.00 H new ATOM 1073 N GLN A 69 -15.715 20.576 5.545 1.00 0.00 N ATOM 1074 CA GLN A 69 -15.399 19.149 5.301 1.00 0.00 C ATOM 1075 C GLN A 69 -14.539 18.991 4.035 1.00 0.00 C ATOM 1076 O GLN A 69 -13.473 18.375 4.076 1.00 0.00 O ATOM 1077 CB GLN A 69 -16.711 18.324 5.208 1.00 0.00 C ATOM 1078 CG GLN A 69 -17.421 18.121 6.564 1.00 0.00 C ATOM 1079 CD GLN A 69 -18.818 17.503 6.450 1.00 0.00 C ATOM 1080 OE1 GLN A 69 -19.543 17.739 5.487 1.00 0.00 O ATOM 1081 NE2 GLN A 69 -19.206 16.710 7.438 1.00 0.00 N ATOM 0 H GLN A 69 -16.710 20.790 5.484 1.00 0.00 H new ATOM 0 HA GLN A 69 -14.817 18.765 6.139 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -17.395 18.824 4.522 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -16.485 17.348 4.778 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -16.803 17.482 7.194 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -17.501 19.084 7.068 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -18.582 16.533 8.225 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -20.129 16.277 7.412 1.00 0.00 H new ATOM 1090 N LYS A 70 -14.986 19.629 2.943 1.00 0.00 N ATOM 1091 CA LYS A 70 -14.290 19.616 1.634 1.00 0.00 C ATOM 1092 C LYS A 70 -12.908 20.282 1.695 1.00 0.00 C ATOM 1093 O LYS A 70 -12.057 19.958 0.881 1.00 0.00 O ATOM 1094 CB LYS A 70 -15.169 20.263 0.527 1.00 0.00 C ATOM 1095 CG LYS A 70 -16.279 19.335 0.004 1.00 0.00 C ATOM 1096 CD LYS A 70 -17.148 19.991 -1.087 1.00 0.00 C ATOM 1097 CE LYS A 70 -18.022 18.975 -1.847 1.00 0.00 C ATOM 1098 NZ LYS A 70 -18.792 19.625 -2.939 1.00 0.00 N ATOM 0 H LYS A 70 -15.848 20.175 2.937 1.00 0.00 H new ATOM 0 HA LYS A 70 -14.126 18.569 1.377 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -15.622 21.173 0.920 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -14.531 20.559 -0.306 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -15.827 18.427 -0.396 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -16.916 19.034 0.836 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -17.789 20.744 -0.630 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -16.503 20.510 -1.796 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -17.390 18.190 -2.264 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -18.710 18.494 -1.152 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -19.369 18.912 -3.429 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -19.413 20.357 -2.538 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -18.134 20.062 -3.615 1.00 0.00 H new ATOM 1112 N ALA A 71 -12.706 21.197 2.661 1.00 0.00 N ATOM 1113 CA ALA A 71 -11.432 21.949 2.797 1.00 0.00 C ATOM 1114 C ALA A 71 -10.420 21.078 3.562 1.00 0.00 C ATOM 1115 O ALA A 71 -9.292 20.916 3.139 1.00 0.00 O ATOM 1116 CB ALA A 71 -11.637 23.294 3.526 1.00 0.00 C ATOM 0 H ALA A 71 -13.406 21.438 3.363 1.00 0.00 H new ATOM 0 HA ALA A 71 -11.054 22.177 1.800 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -10.682 23.814 3.606 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -12.339 23.909 2.964 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -12.034 23.110 4.524 1.00 0.00 H new ATOM 1122 N THR A 72 -10.880 20.545 4.707 1.00 0.00 N ATOM 1123 CA THR A 72 -10.116 19.591 5.547 1.00 0.00 C ATOM 1124 C THR A 72 -9.630 18.358 4.724 1.00 0.00 C ATOM 1125 O THR A 72 -8.548 17.820 4.967 1.00 0.00 O ATOM 1126 CB THR A 72 -10.964 19.118 6.781 1.00 0.00 C ATOM 1127 OG1 THR A 72 -11.657 20.231 7.370 1.00 0.00 O ATOM 1128 CG2 THR A 72 -10.084 18.478 7.857 1.00 0.00 C ATOM 0 H THR A 72 -11.802 20.763 5.084 1.00 0.00 H new ATOM 0 HA THR A 72 -9.236 20.121 5.911 1.00 0.00 H new ATOM 0 HB THR A 72 -11.676 18.379 6.413 1.00 0.00 H new ATOM 0 HG1 THR A 72 -12.428 20.468 6.814 1.00 0.00 H new ATOM 0 HG21 THR A 72 -10.705 18.163 8.695 1.00 0.00 H new ATOM 0 HG22 THR A 72 -9.571 17.611 7.440 1.00 0.00 H new ATOM 0 HG23 THR A 72 -9.348 19.203 8.204 1.00 0.00 H new ATOM 1136 N TRP A 73 -10.437 17.940 3.739 1.00 0.00 N ATOM 1137 CA TRP A 73 -10.075 16.859 2.797 1.00 0.00 C ATOM 1138 C TRP A 73 -9.203 17.383 1.630 1.00 0.00 C ATOM 1139 O TRP A 73 -8.335 16.657 1.125 1.00 0.00 O ATOM 1140 CB TRP A 73 -11.353 16.171 2.262 1.00 0.00 C ATOM 1141 CG TRP A 73 -11.979 15.178 3.224 1.00 0.00 C ATOM 1142 CD1 TRP A 73 -13.111 15.329 3.984 1.00 0.00 C ATOM 1143 CD2 TRP A 73 -11.493 13.855 3.500 1.00 0.00 C ATOM 1144 NE1 TRP A 73 -13.356 14.180 4.689 1.00 0.00 N ATOM 1145 CE2 TRP A 73 -12.375 13.265 4.413 1.00 0.00 C ATOM 1146 CE3 TRP A 73 -10.398 13.115 3.052 1.00 0.00 C ATOM 1147 CZ2 TRP A 73 -12.196 11.971 4.889 1.00 0.00 C ATOM 1148 CZ3 TRP A 73 -10.217 11.830 3.528 1.00 0.00 C ATOM 1149 CH2 TRP A 73 -11.119 11.266 4.436 1.00 0.00 C ATOM 0 H TRP A 73 -11.360 18.339 3.569 1.00 0.00 H new ATOM 0 HA TRP A 73 -9.479 16.126 3.340 1.00 0.00 H new ATOM 0 HB2 TRP A 73 -12.089 16.937 2.020 1.00 0.00 H new ATOM 0 HB3 TRP A 73 -11.112 15.655 1.332 1.00 0.00 H new ATOM 0 HD1 TRP A 73 -13.719 16.221 4.021 1.00 0.00 H new ATOM 0 HE1 TRP A 73 -14.144 14.030 5.319 1.00 0.00 H new ATOM 0 HE3 TRP A 73 -9.702 13.540 2.344 1.00 0.00 H new ATOM 0 HZ2 TRP A 73 -12.888 11.537 5.596 1.00 0.00 H new ATOM 0 HZ3 TRP A 73 -9.367 11.253 3.194 1.00 0.00 H new ATOM 0 HH2 TRP A 73 -10.961 10.256 4.784 1.00 0.00 H new ATOM 1160 N ALA A 74 -9.448 18.644 1.213 1.00 0.00 N ATOM 1161 CA ALA A 74 -8.668 19.309 0.144 1.00 0.00 C ATOM 1162 C ALA A 74 -7.225 19.541 0.577 1.00 0.00 C ATOM 1163 O ALA A 74 -6.313 19.477 -0.238 1.00 0.00 O ATOM 1164 CB ALA A 74 -9.299 20.649 -0.252 1.00 0.00 C ATOM 0 H ALA A 74 -10.187 19.228 1.605 1.00 0.00 H new ATOM 0 HA ALA A 74 -8.678 18.643 -0.719 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -8.704 21.113 -1.038 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -10.313 20.481 -0.616 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -9.330 21.307 0.616 1.00 0.00 H new ATOM 1170 N LYS A 75 -7.040 19.806 1.875 1.00 0.00 N ATOM 1171 CA LYS A 75 -5.729 20.101 2.450 1.00 0.00 C ATOM 1172 C LYS A 75 -4.970 18.792 2.676 1.00 0.00 C ATOM 1173 O LYS A 75 -3.759 18.787 2.623 1.00 0.00 O ATOM 1174 CB LYS A 75 -5.888 20.886 3.773 1.00 0.00 C ATOM 1175 CG LYS A 75 -6.537 22.279 3.606 1.00 0.00 C ATOM 1176 CD LYS A 75 -6.832 22.974 4.953 1.00 0.00 C ATOM 1177 CE LYS A 75 -7.584 24.309 4.778 1.00 0.00 C ATOM 1178 NZ LYS A 75 -7.868 24.936 6.090 1.00 0.00 N ATOM 0 H LYS A 75 -7.799 19.821 2.556 1.00 0.00 H new ATOM 0 HA LYS A 75 -5.159 20.723 1.760 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -6.492 20.296 4.463 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -4.907 21.007 4.232 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -5.877 22.913 3.014 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -7.466 22.176 3.046 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -7.424 22.307 5.580 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -5.894 23.155 5.477 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -6.989 24.988 4.168 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -8.518 24.137 4.244 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -8.374 25.833 5.944 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -8.456 24.295 6.661 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -6.974 25.121 6.587 1.00 0.00 H new ATOM 1192 N TYR A 76 -5.718 17.694 2.904 1.00 0.00 N ATOM 1193 CA TYR A 76 -5.156 16.337 3.045 1.00 0.00 C ATOM 1194 C TYR A 76 -4.457 15.905 1.744 1.00 0.00 C ATOM 1195 O TYR A 76 -3.266 15.549 1.756 1.00 0.00 O ATOM 1196 CB TYR A 76 -6.291 15.348 3.432 1.00 0.00 C ATOM 1197 CG TYR A 76 -5.912 13.852 3.417 1.00 0.00 C ATOM 1198 CD1 TYR A 76 -4.733 13.387 4.001 1.00 0.00 C ATOM 1199 CD2 TYR A 76 -6.747 12.916 2.820 1.00 0.00 C ATOM 1200 CE1 TYR A 76 -4.415 12.046 3.977 1.00 0.00 C ATOM 1201 CE2 TYR A 76 -6.437 11.577 2.805 1.00 0.00 C ATOM 1202 CZ TYR A 76 -5.272 11.145 3.383 1.00 0.00 C ATOM 1203 OH TYR A 76 -4.980 9.802 3.398 1.00 0.00 O ATOM 0 H TYR A 76 -6.733 17.724 2.996 1.00 0.00 H new ATOM 0 HA TYR A 76 -4.406 16.334 3.836 1.00 0.00 H new ATOM 0 HB2 TYR A 76 -6.645 15.604 4.431 1.00 0.00 H new ATOM 0 HB3 TYR A 76 -7.127 15.499 2.749 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -4.062 14.086 4.477 1.00 0.00 H new ATOM 0 HD2 TYR A 76 -7.663 13.249 2.356 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -3.494 11.701 4.424 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -7.108 10.869 2.340 1.00 0.00 H new ATOM 0 HH TYR A 76 -5.689 9.308 2.936 1.00 0.00 H new ATOM 1213 N ARG A 77 -5.209 15.960 0.627 1.00 0.00 N ATOM 1214 CA ARG A 77 -4.699 15.557 -0.697 1.00 0.00 C ATOM 1215 C ARG A 77 -3.550 16.492 -1.141 1.00 0.00 C ATOM 1216 O ARG A 77 -2.519 16.031 -1.631 1.00 0.00 O ATOM 1217 CB ARG A 77 -5.854 15.532 -1.753 1.00 0.00 C ATOM 1218 CG ARG A 77 -6.509 16.893 -2.074 1.00 0.00 C ATOM 1219 CD ARG A 77 -7.489 16.825 -3.256 1.00 0.00 C ATOM 1220 NE ARG A 77 -8.169 18.120 -3.476 1.00 0.00 N ATOM 1221 CZ ARG A 77 -8.461 18.670 -4.673 1.00 0.00 C ATOM 1222 NH1 ARG A 77 -8.054 18.116 -5.815 1.00 0.00 N ATOM 1223 NH2 ARG A 77 -9.176 19.785 -4.699 1.00 0.00 N ATOM 0 H ARG A 77 -6.177 16.282 0.617 1.00 0.00 H new ATOM 0 HA ARG A 77 -4.299 14.546 -0.622 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -5.463 15.112 -2.680 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -6.629 14.853 -1.398 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -7.038 17.252 -1.191 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -5.729 17.621 -2.297 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -6.951 16.538 -4.159 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -8.233 16.050 -3.069 1.00 0.00 H new ATOM 0 HE ARG A 77 -8.443 18.646 -2.646 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -7.508 17.255 -5.798 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -8.289 18.553 -6.706 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -9.493 20.208 -3.827 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -9.410 20.220 -5.591 1.00 0.00 H new ATOM 1237 N GLN A 78 -3.744 17.810 -0.927 1.00 0.00 N ATOM 1238 CA GLN A 78 -2.792 18.861 -1.333 1.00 0.00 C ATOM 1239 C GLN A 78 -1.510 18.863 -0.467 1.00 0.00 C ATOM 1240 O GLN A 78 -0.465 19.298 -0.939 1.00 0.00 O ATOM 1241 CB GLN A 78 -3.508 20.251 -1.263 1.00 0.00 C ATOM 1242 CG GLN A 78 -2.848 21.375 -2.094 1.00 0.00 C ATOM 1243 CD GLN A 78 -2.866 21.130 -3.612 1.00 0.00 C ATOM 1244 OE1 GLN A 78 -1.957 21.550 -4.324 1.00 0.00 O ATOM 1245 NE2 GLN A 78 -3.912 20.479 -4.123 1.00 0.00 N ATOM 0 H GLN A 78 -4.575 18.177 -0.463 1.00 0.00 H new ATOM 0 HA GLN A 78 -2.473 18.656 -2.355 1.00 0.00 H new ATOM 0 HB2 GLN A 78 -4.537 20.129 -1.600 1.00 0.00 H new ATOM 0 HB3 GLN A 78 -3.549 20.568 -0.221 1.00 0.00 H new ATOM 0 HG2 GLN A 78 -3.358 22.315 -1.883 1.00 0.00 H new ATOM 0 HG3 GLN A 78 -1.814 21.493 -1.769 1.00 0.00 H new ATOM 0 HE21 GLN A 78 -4.652 20.141 -3.508 1.00 0.00 H new ATOM 0 HE22 GLN A 78 -3.971 20.319 -5.129 1.00 0.00 H new ATOM 1254 N ALA A 79 -1.603 18.393 0.798 1.00 0.00 N ATOM 1255 CA ALA A 79 -0.439 18.344 1.726 1.00 0.00 C ATOM 1256 C ALA A 79 0.482 17.173 1.393 1.00 0.00 C ATOM 1257 O ALA A 79 1.696 17.233 1.637 1.00 0.00 O ATOM 1258 CB ALA A 79 -0.893 18.242 3.184 1.00 0.00 C ATOM 0 H ALA A 79 -2.470 18.041 1.204 1.00 0.00 H new ATOM 0 HA ALA A 79 0.113 19.275 1.596 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -0.020 18.208 3.835 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -1.501 19.110 3.437 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -1.482 17.335 3.319 1.00 0.00 H new ATOM 1264 N LEU A 80 -0.114 16.098 0.873 1.00 0.00 N ATOM 1265 CA LEU A 80 0.631 14.938 0.384 1.00 0.00 C ATOM 1266 C LEU A 80 1.278 15.293 -0.973 1.00 0.00 C ATOM 1267 O LEU A 80 2.434 14.953 -1.224 1.00 0.00 O ATOM 1268 CB LEU A 80 -0.334 13.716 0.295 1.00 0.00 C ATOM 1269 CG LEU A 80 0.326 12.295 0.372 1.00 0.00 C ATOM 1270 CD1 LEU A 80 -0.723 11.216 0.666 1.00 0.00 C ATOM 1271 CD2 LEU A 80 1.118 11.937 -0.902 1.00 0.00 C ATOM 0 H LEU A 80 -1.126 16.008 0.779 1.00 0.00 H new ATOM 0 HA LEU A 80 1.436 14.666 1.067 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -1.063 13.798 1.101 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -0.886 13.785 -0.642 1.00 0.00 H new ATOM 0 HG LEU A 80 1.039 12.331 1.196 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -0.238 10.241 0.714 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -1.206 11.428 1.620 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -1.471 11.211 -0.126 1.00 0.00 H new ATOM 0 HD21 LEU A 80 1.553 10.943 -0.793 1.00 0.00 H new ATOM 0 HD22 LEU A 80 0.448 11.948 -1.762 1.00 0.00 H new ATOM 0 HD23 LEU A 80 1.914 12.667 -1.053 1.00 0.00 H new ATOM 1283 N ARG A 81 0.513 15.996 -1.832 1.00 0.00 N ATOM 1284 CA ARG A 81 1.013 16.506 -3.125 1.00 0.00 C ATOM 1285 C ARG A 81 2.052 17.630 -2.939 1.00 0.00 C ATOM 1286 O ARG A 81 2.848 17.887 -3.846 1.00 0.00 O ATOM 1287 CB ARG A 81 -0.145 16.995 -4.027 1.00 0.00 C ATOM 1288 CG ARG A 81 -1.050 15.866 -4.576 1.00 0.00 C ATOM 1289 CD ARG A 81 -1.928 16.332 -5.752 1.00 0.00 C ATOM 1290 NE ARG A 81 -1.108 16.777 -6.901 1.00 0.00 N ATOM 1291 CZ ARG A 81 -1.422 16.649 -8.201 1.00 0.00 C ATOM 1292 NH1 ARG A 81 -2.568 16.104 -8.584 1.00 0.00 N ATOM 1293 NH2 ARG A 81 -0.564 17.058 -9.119 1.00 0.00 N ATOM 0 H ARG A 81 -0.464 16.225 -1.651 1.00 0.00 H new ATOM 0 HA ARG A 81 1.507 15.669 -3.619 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -0.760 17.694 -3.460 1.00 0.00 H new ATOM 0 HB3 ARG A 81 0.274 17.549 -4.867 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -0.428 15.032 -4.900 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -1.689 15.495 -3.775 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -2.581 15.517 -6.064 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -2.571 17.149 -5.425 1.00 0.00 H new ATOM 0 HE ARG A 81 -0.217 17.225 -6.685 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -3.233 15.771 -7.886 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -2.785 16.017 -9.577 1.00 0.00 H new ATOM 0 HH21 ARG A 81 0.327 17.467 -8.838 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -0.793 16.965 -10.109 1.00 0.00 H new ATOM 1307 N ASP A 82 1.996 18.316 -1.777 1.00 0.00 N ATOM 1308 CA ASP A 82 2.993 19.333 -1.365 1.00 0.00 C ATOM 1309 C ASP A 82 4.393 18.703 -1.321 1.00 0.00 C ATOM 1310 O ASP A 82 5.373 19.311 -1.768 1.00 0.00 O ATOM 1311 CB ASP A 82 2.603 19.919 0.017 1.00 0.00 C ATOM 1312 CG ASP A 82 3.598 20.951 0.569 1.00 0.00 C ATOM 1313 OD1 ASP A 82 3.598 22.103 0.085 1.00 0.00 O ATOM 1314 OD2 ASP A 82 4.386 20.617 1.481 1.00 0.00 O ATOM 0 H ASP A 82 1.253 18.180 -1.092 1.00 0.00 H new ATOM 0 HA ASP A 82 3.007 20.146 -2.091 1.00 0.00 H new ATOM 0 HB2 ASP A 82 1.621 20.385 -0.063 1.00 0.00 H new ATOM 0 HB3 ASP A 82 2.511 19.102 0.732 1.00 0.00 H new ATOM 1319 N LEU A 83 4.453 17.464 -0.799 1.00 0.00 N ATOM 1320 CA LEU A 83 5.648 16.612 -0.870 1.00 0.00 C ATOM 1321 C LEU A 83 5.867 16.182 -2.342 1.00 0.00 C ATOM 1322 O LEU A 83 4.883 15.988 -3.062 1.00 0.00 O ATOM 1323 CB LEU A 83 5.460 15.355 0.040 1.00 0.00 C ATOM 1324 CG LEU A 83 5.156 15.634 1.546 1.00 0.00 C ATOM 1325 CD1 LEU A 83 4.883 14.316 2.310 1.00 0.00 C ATOM 1326 CD2 LEU A 83 6.295 16.451 2.198 1.00 0.00 C ATOM 0 H LEU A 83 3.669 17.027 -0.315 1.00 0.00 H new ATOM 0 HA LEU A 83 6.519 17.164 -0.518 1.00 0.00 H new ATOM 0 HB2 LEU A 83 4.647 14.755 -0.368 1.00 0.00 H new ATOM 0 HB3 LEU A 83 6.364 14.750 -0.021 1.00 0.00 H new ATOM 0 HG LEU A 83 4.250 16.236 1.605 1.00 0.00 H new ATOM 0 HD11 LEU A 83 4.674 14.539 3.356 1.00 0.00 H new ATOM 0 HD12 LEU A 83 4.024 13.810 1.868 1.00 0.00 H new ATOM 0 HD13 LEU A 83 5.758 13.669 2.244 1.00 0.00 H new ATOM 0 HD21 LEU A 83 6.059 16.632 3.247 1.00 0.00 H new ATOM 0 HD22 LEU A 83 7.229 15.894 2.127 1.00 0.00 H new ATOM 0 HD23 LEU A 83 6.401 17.404 1.680 1.00 0.00 H new ATOM 1338 N PRO A 84 7.144 16.027 -2.817 1.00 0.00 N ATOM 1339 CA PRO A 84 7.425 15.544 -4.196 1.00 0.00 C ATOM 1340 C PRO A 84 6.824 14.146 -4.421 1.00 0.00 C ATOM 1341 O PRO A 84 6.843 13.315 -3.497 1.00 0.00 O ATOM 1342 CB PRO A 84 8.977 15.523 -4.269 1.00 0.00 C ATOM 1343 CG PRO A 84 9.424 15.492 -2.836 1.00 0.00 C ATOM 1344 CD PRO A 84 8.396 16.283 -2.059 1.00 0.00 C ATOM 0 HA PRO A 84 6.983 16.174 -4.969 1.00 0.00 H new ATOM 0 HB2 PRO A 84 9.336 14.651 -4.815 1.00 0.00 H new ATOM 0 HB3 PRO A 84 9.361 16.403 -4.785 1.00 0.00 H new ATOM 0 HG2 PRO A 84 9.486 14.467 -2.469 1.00 0.00 H new ATOM 0 HG3 PRO A 84 10.416 15.930 -2.728 1.00 0.00 H new ATOM 0 HD2 PRO A 84 8.320 15.943 -1.026 1.00 0.00 H new ATOM 0 HD3 PRO A 84 8.641 17.345 -2.028 1.00 0.00 H new ATOM 1352 N GLU A 85 6.248 13.927 -5.628 1.00 0.00 N ATOM 1353 CA GLU A 85 5.617 12.649 -6.003 1.00 0.00 C ATOM 1354 C GLU A 85 6.626 11.500 -5.789 1.00 0.00 C ATOM 1355 O GLU A 85 7.672 11.435 -6.443 1.00 0.00 O ATOM 1356 CB GLU A 85 5.024 12.651 -7.465 1.00 0.00 C ATOM 1357 CG GLU A 85 6.015 12.880 -8.635 1.00 0.00 C ATOM 1358 CD GLU A 85 6.554 14.320 -8.724 1.00 0.00 C ATOM 1359 OE1 GLU A 85 5.906 15.173 -9.357 1.00 0.00 O ATOM 1360 OE2 GLU A 85 7.623 14.609 -8.144 1.00 0.00 O ATOM 0 H GLU A 85 6.211 14.633 -6.364 1.00 0.00 H new ATOM 0 HA GLU A 85 4.756 12.497 -5.352 1.00 0.00 H new ATOM 0 HB2 GLU A 85 4.525 11.696 -7.628 1.00 0.00 H new ATOM 0 HB3 GLU A 85 4.257 13.424 -7.517 1.00 0.00 H new ATOM 0 HG2 GLU A 85 6.855 12.194 -8.526 1.00 0.00 H new ATOM 0 HG3 GLU A 85 5.519 12.630 -9.573 1.00 0.00 H new ATOM 1367 N THR A 86 6.321 10.660 -4.786 1.00 0.00 N ATOM 1368 CA THR A 86 7.217 9.620 -4.279 1.00 0.00 C ATOM 1369 C THR A 86 7.301 8.423 -5.246 1.00 0.00 C ATOM 1370 O THR A 86 6.652 7.394 -5.056 1.00 0.00 O ATOM 1371 CB THR A 86 6.759 9.179 -2.837 1.00 0.00 C ATOM 1372 OG1 THR A 86 5.357 8.857 -2.857 1.00 0.00 O ATOM 1373 CG2 THR A 86 6.998 10.286 -1.792 1.00 0.00 C ATOM 0 H THR A 86 5.426 10.690 -4.299 1.00 0.00 H new ATOM 0 HA THR A 86 8.224 10.031 -4.209 1.00 0.00 H new ATOM 0 HB THR A 86 7.353 8.309 -2.555 1.00 0.00 H new ATOM 0 HG1 THR A 86 5.230 7.931 -2.563 1.00 0.00 H new ATOM 0 HG21 THR A 86 6.668 9.939 -0.813 1.00 0.00 H new ATOM 0 HG22 THR A 86 8.060 10.526 -1.753 1.00 0.00 H new ATOM 0 HG23 THR A 86 6.435 11.177 -2.070 1.00 0.00 H new ATOM 1381 N VAL A 87 8.041 8.630 -6.345 1.00 0.00 N ATOM 1382 CA VAL A 87 8.469 7.559 -7.259 1.00 0.00 C ATOM 1383 C VAL A 87 9.780 6.957 -6.716 1.00 0.00 C ATOM 1384 O VAL A 87 10.048 5.755 -6.839 1.00 0.00 O ATOM 1385 CB VAL A 87 8.661 8.117 -8.729 1.00 0.00 C ATOM 1386 CG1 VAL A 87 7.308 8.587 -9.322 1.00 0.00 C ATOM 1387 CG2 VAL A 87 9.706 9.267 -8.774 1.00 0.00 C ATOM 0 H VAL A 87 8.363 9.556 -6.628 1.00 0.00 H new ATOM 0 HA VAL A 87 7.704 6.784 -7.310 1.00 0.00 H new ATOM 0 HB VAL A 87 9.042 7.299 -9.341 1.00 0.00 H new ATOM 0 HG11 VAL A 87 7.465 8.966 -10.332 1.00 0.00 H new ATOM 0 HG12 VAL A 87 6.613 7.748 -9.354 1.00 0.00 H new ATOM 0 HG13 VAL A 87 6.893 9.378 -8.698 1.00 0.00 H new ATOM 0 HG21 VAL A 87 9.810 9.624 -9.799 1.00 0.00 H new ATOM 0 HG22 VAL A 87 9.373 10.086 -8.137 1.00 0.00 H new ATOM 0 HG23 VAL A 87 10.668 8.898 -8.418 1.00 0.00 H new ATOM 1397 N THR A 88 10.568 7.850 -6.091 1.00 0.00 N ATOM 1398 CA THR A 88 11.802 7.546 -5.383 1.00 0.00 C ATOM 1399 C THR A 88 12.236 8.820 -4.633 1.00 0.00 C ATOM 1400 O THR A 88 12.018 9.941 -5.134 1.00 0.00 O ATOM 1401 CB THR A 88 12.944 7.061 -6.338 1.00 0.00 C ATOM 1402 OG1 THR A 88 14.104 6.720 -5.571 1.00 0.00 O ATOM 1403 CG2 THR A 88 13.314 8.098 -7.424 1.00 0.00 C ATOM 0 H THR A 88 10.343 8.845 -6.071 1.00 0.00 H new ATOM 0 HA THR A 88 11.618 6.723 -4.692 1.00 0.00 H new ATOM 0 HB THR A 88 12.566 6.183 -6.862 1.00 0.00 H new ATOM 0 HG1 THR A 88 14.816 6.415 -6.172 1.00 0.00 H new ATOM 0 HG21 THR A 88 14.111 7.699 -8.051 1.00 0.00 H new ATOM 0 HG22 THR A 88 12.439 8.309 -8.039 1.00 0.00 H new ATOM 0 HG23 THR A 88 13.653 9.018 -6.948 1.00 0.00 H new ATOM 1411 N ASP A 89 12.813 8.647 -3.436 1.00 0.00 N ATOM 1412 CA ASP A 89 13.258 9.774 -2.587 1.00 0.00 C ATOM 1413 C ASP A 89 14.185 9.246 -1.474 1.00 0.00 C ATOM 1414 O ASP A 89 14.201 8.042 -1.195 1.00 0.00 O ATOM 1415 CB ASP A 89 12.019 10.534 -1.989 1.00 0.00 C ATOM 1416 CG ASP A 89 12.294 12.025 -1.706 1.00 0.00 C ATOM 1417 OD1 ASP A 89 12.981 12.342 -0.721 1.00 0.00 O ATOM 1418 OD2 ASP A 89 11.847 12.891 -2.490 1.00 0.00 O ATOM 0 H ASP A 89 12.986 7.729 -3.026 1.00 0.00 H new ATOM 0 HA ASP A 89 13.818 10.486 -3.193 1.00 0.00 H new ATOM 0 HB2 ASP A 89 11.182 10.452 -2.682 1.00 0.00 H new ATOM 0 HB3 ASP A 89 11.715 10.046 -1.063 1.00 0.00 H new ATOM 1423 N LEU A 90 14.958 10.146 -0.838 1.00 0.00 N ATOM 1424 CA LEU A 90 15.889 9.785 0.260 1.00 0.00 C ATOM 1425 C LEU A 90 15.347 10.232 1.633 1.00 0.00 C ATOM 1426 O LEU A 90 15.983 9.984 2.664 1.00 0.00 O ATOM 1427 CB LEU A 90 17.296 10.389 -0.014 1.00 0.00 C ATOM 1428 CG LEU A 90 18.027 9.855 -1.285 1.00 0.00 C ATOM 1429 CD1 LEU A 90 19.424 10.494 -1.447 1.00 0.00 C ATOM 1430 CD2 LEU A 90 18.102 8.307 -1.282 1.00 0.00 C ATOM 0 H LEU A 90 14.959 11.140 -1.065 1.00 0.00 H new ATOM 0 HA LEU A 90 15.976 8.699 0.290 1.00 0.00 H new ATOM 0 HB2 LEU A 90 17.195 11.471 -0.103 1.00 0.00 H new ATOM 0 HB3 LEU A 90 17.928 10.198 0.853 1.00 0.00 H new ATOM 0 HG LEU A 90 17.437 10.151 -2.152 1.00 0.00 H new ATOM 0 HD11 LEU A 90 19.903 10.098 -2.342 1.00 0.00 H new ATOM 0 HD12 LEU A 90 19.321 11.575 -1.538 1.00 0.00 H new ATOM 0 HD13 LEU A 90 20.035 10.260 -0.575 1.00 0.00 H new ATOM 0 HD21 LEU A 90 18.617 7.966 -2.180 1.00 0.00 H new ATOM 0 HD22 LEU A 90 18.648 7.971 -0.401 1.00 0.00 H new ATOM 0 HD23 LEU A 90 17.093 7.894 -1.263 1.00 0.00 H new ATOM 1442 N SER A 91 14.164 10.873 1.639 1.00 0.00 N ATOM 1443 CA SER A 91 13.470 11.286 2.874 1.00 0.00 C ATOM 1444 C SER A 91 12.603 10.134 3.415 1.00 0.00 C ATOM 1445 O SER A 91 12.167 9.263 2.647 1.00 0.00 O ATOM 1446 CB SER A 91 12.576 12.524 2.607 1.00 0.00 C ATOM 1447 OG SER A 91 13.310 13.581 2.005 1.00 0.00 O ATOM 0 H SER A 91 13.661 11.120 0.787 1.00 0.00 H new ATOM 0 HA SER A 91 14.225 11.545 3.616 1.00 0.00 H new ATOM 0 HB2 SER A 91 11.747 12.241 1.959 1.00 0.00 H new ATOM 0 HB3 SER A 91 12.143 12.870 3.546 1.00 0.00 H new ATOM 0 HG SER A 91 13.370 13.429 1.039 1.00 0.00 H new ATOM 1453 N GLN A 92 12.383 10.130 4.741 1.00 0.00 N ATOM 1454 CA GLN A 92 11.409 9.236 5.388 1.00 0.00 C ATOM 1455 C GLN A 92 9.988 9.687 5.002 1.00 0.00 C ATOM 1456 O GLN A 92 9.637 10.855 5.210 1.00 0.00 O ATOM 1457 CB GLN A 92 11.600 9.257 6.932 1.00 0.00 C ATOM 1458 CG GLN A 92 12.981 8.764 7.413 1.00 0.00 C ATOM 1459 CD GLN A 92 13.197 8.904 8.924 1.00 0.00 C ATOM 1460 OE1 GLN A 92 12.255 8.830 9.719 1.00 0.00 O ATOM 1461 NE2 GLN A 92 14.445 9.107 9.330 1.00 0.00 N ATOM 0 H GLN A 92 12.873 10.744 5.391 1.00 0.00 H new ATOM 0 HA GLN A 92 11.564 8.212 5.049 1.00 0.00 H new ATOM 0 HB2 GLN A 92 11.447 10.275 7.291 1.00 0.00 H new ATOM 0 HB3 GLN A 92 10.828 8.638 7.389 1.00 0.00 H new ATOM 0 HG2 GLN A 92 13.100 7.717 7.134 1.00 0.00 H new ATOM 0 HG3 GLN A 92 13.758 9.323 6.891 1.00 0.00 H new ATOM 0 HE21 GLN A 92 15.201 9.163 8.647 1.00 0.00 H new ATOM 0 HE22 GLN A 92 14.648 9.207 10.325 1.00 0.00 H new ATOM 1470 N ILE A 93 9.194 8.764 4.421 1.00 0.00 N ATOM 1471 CA ILE A 93 7.849 9.081 3.910 1.00 0.00 C ATOM 1472 C ILE A 93 6.862 9.366 5.068 1.00 0.00 C ATOM 1473 O ILE A 93 6.179 8.486 5.573 1.00 0.00 O ATOM 1474 CB ILE A 93 7.318 7.958 2.902 1.00 0.00 C ATOM 1475 CG1 ILE A 93 7.614 6.471 3.398 1.00 0.00 C ATOM 1476 CG2 ILE A 93 7.907 8.197 1.478 1.00 0.00 C ATOM 1477 CD1 ILE A 93 6.568 5.802 4.289 1.00 0.00 C ATOM 0 H ILE A 93 9.465 7.789 4.295 1.00 0.00 H new ATOM 0 HA ILE A 93 7.920 10.000 3.328 1.00 0.00 H new ATOM 0 HB ILE A 93 6.233 8.051 2.868 1.00 0.00 H new ATOM 0 HG12 ILE A 93 7.755 5.845 2.517 1.00 0.00 H new ATOM 0 HG13 ILE A 93 8.560 6.479 3.939 1.00 0.00 H new ATOM 0 HG21 ILE A 93 7.540 7.428 0.799 1.00 0.00 H new ATOM 0 HG22 ILE A 93 7.598 9.178 1.116 1.00 0.00 H new ATOM 0 HG23 ILE A 93 8.995 8.153 1.522 1.00 0.00 H new ATOM 0 HD11 ILE A 93 6.901 4.797 4.549 1.00 0.00 H new ATOM 0 HD12 ILE A 93 6.437 6.388 5.199 1.00 0.00 H new ATOM 0 HD13 ILE A 93 5.619 5.743 3.755 1.00 0.00 H new ATOM 1489 N VAL A 94 6.852 10.626 5.531 1.00 0.00 N ATOM 1490 CA VAL A 94 5.922 11.103 6.564 1.00 0.00 C ATOM 1491 C VAL A 94 4.910 12.031 5.880 1.00 0.00 C ATOM 1492 O VAL A 94 5.193 13.213 5.635 1.00 0.00 O ATOM 1493 CB VAL A 94 6.674 11.856 7.729 1.00 0.00 C ATOM 1494 CG1 VAL A 94 5.690 12.299 8.851 1.00 0.00 C ATOM 1495 CG2 VAL A 94 7.824 10.987 8.303 1.00 0.00 C ATOM 0 H VAL A 94 7.493 11.346 5.197 1.00 0.00 H new ATOM 0 HA VAL A 94 5.418 10.253 7.024 1.00 0.00 H new ATOM 0 HB VAL A 94 7.115 12.759 7.306 1.00 0.00 H new ATOM 0 HG11 VAL A 94 6.242 12.814 9.637 1.00 0.00 H new ATOM 0 HG12 VAL A 94 4.941 12.972 8.433 1.00 0.00 H new ATOM 0 HG13 VAL A 94 5.197 11.422 9.270 1.00 0.00 H new ATOM 0 HG21 VAL A 94 8.325 11.530 9.104 1.00 0.00 H new ATOM 0 HG22 VAL A 94 7.415 10.056 8.696 1.00 0.00 H new ATOM 0 HG23 VAL A 94 8.540 10.763 7.513 1.00 0.00 H new ATOM 1505 N TRP A 95 3.767 11.460 5.529 1.00 0.00 N ATOM 1506 CA TRP A 95 2.684 12.135 4.789 1.00 0.00 C ATOM 1507 C TRP A 95 1.430 12.203 5.679 1.00 0.00 C ATOM 1508 O TRP A 95 1.291 11.378 6.597 1.00 0.00 O ATOM 1509 CB TRP A 95 2.400 11.399 3.427 1.00 0.00 C ATOM 1510 CG TRP A 95 2.617 9.894 3.395 1.00 0.00 C ATOM 1511 CD1 TRP A 95 2.334 8.972 4.368 1.00 0.00 C ATOM 1512 CD2 TRP A 95 3.162 9.150 2.298 1.00 0.00 C ATOM 1513 NE1 TRP A 95 2.712 7.719 3.955 1.00 0.00 N ATOM 1514 CE2 TRP A 95 3.209 7.799 2.686 1.00 0.00 C ATOM 1515 CE3 TRP A 95 3.619 9.506 1.024 1.00 0.00 C ATOM 1516 CZ2 TRP A 95 3.698 6.806 1.845 1.00 0.00 C ATOM 1517 CZ3 TRP A 95 4.096 8.517 0.191 1.00 0.00 C ATOM 1518 CH2 TRP A 95 4.130 7.179 0.602 1.00 0.00 C ATOM 0 H TRP A 95 3.551 10.488 5.752 1.00 0.00 H new ATOM 0 HA TRP A 95 2.985 13.153 4.541 1.00 0.00 H new ATOM 0 HB2 TRP A 95 1.366 11.598 3.144 1.00 0.00 H new ATOM 0 HB3 TRP A 95 3.032 11.848 2.661 1.00 0.00 H new ATOM 0 HD1 TRP A 95 1.880 9.198 5.321 1.00 0.00 H new ATOM 0 HE1 TRP A 95 2.634 6.865 4.507 1.00 0.00 H new ATOM 0 HE3 TRP A 95 3.598 10.536 0.700 1.00 0.00 H new ATOM 0 HZ2 TRP A 95 3.736 5.774 2.163 1.00 0.00 H new ATOM 0 HZ3 TRP A 95 4.450 8.779 -0.795 1.00 0.00 H new ATOM 0 HH2 TRP A 95 4.505 6.426 -0.076 1.00 0.00 H new ATOM 1529 N PRO A 96 0.504 13.193 5.442 1.00 0.00 N ATOM 1530 CA PRO A 96 -0.693 13.392 6.297 1.00 0.00 C ATOM 1531 C PRO A 96 -1.591 12.137 6.378 1.00 0.00 C ATOM 1532 O PRO A 96 -1.707 11.377 5.407 1.00 0.00 O ATOM 1533 CB PRO A 96 -1.440 14.574 5.607 1.00 0.00 C ATOM 1534 CG PRO A 96 -0.908 14.599 4.207 1.00 0.00 C ATOM 1535 CD PRO A 96 0.541 14.194 4.337 1.00 0.00 C ATOM 0 HA PRO A 96 -0.421 13.594 7.333 1.00 0.00 H new ATOM 0 HB2 PRO A 96 -2.519 14.420 5.617 1.00 0.00 H new ATOM 0 HB3 PRO A 96 -1.248 15.516 6.120 1.00 0.00 H new ATOM 0 HG2 PRO A 96 -1.455 13.910 3.564 1.00 0.00 H new ATOM 0 HG3 PRO A 96 -1.003 15.591 3.765 1.00 0.00 H new ATOM 0 HD2 PRO A 96 0.925 13.763 3.413 1.00 0.00 H new ATOM 0 HD3 PRO A 96 1.179 15.044 4.582 1.00 0.00 H new ATOM 1543 N GLN A 97 -2.165 11.922 7.561 1.00 0.00 N ATOM 1544 CA GLN A 97 -3.224 10.927 7.775 1.00 0.00 C ATOM 1545 C GLN A 97 -4.581 11.627 7.586 1.00 0.00 C ATOM 1546 O GLN A 97 -4.700 12.829 7.873 1.00 0.00 O ATOM 1547 CB GLN A 97 -3.105 10.300 9.193 1.00 0.00 C ATOM 1548 CG GLN A 97 -4.112 9.158 9.508 1.00 0.00 C ATOM 1549 CD GLN A 97 -3.895 7.863 8.690 1.00 0.00 C ATOM 1550 OE1 GLN A 97 -3.423 7.884 7.555 1.00 0.00 O ATOM 1551 NE2 GLN A 97 -4.251 6.727 9.266 1.00 0.00 N ATOM 0 H GLN A 97 -1.909 12.434 8.405 1.00 0.00 H new ATOM 0 HA GLN A 97 -3.130 10.113 7.057 1.00 0.00 H new ATOM 0 HB2 GLN A 97 -2.094 9.913 9.316 1.00 0.00 H new ATOM 0 HB3 GLN A 97 -3.236 11.090 9.932 1.00 0.00 H new ATOM 0 HG2 GLN A 97 -4.047 8.917 10.569 1.00 0.00 H new ATOM 0 HG3 GLN A 97 -5.123 9.522 9.325 1.00 0.00 H new ATOM 0 HE21 GLN A 97 -4.641 6.733 10.209 1.00 0.00 H new ATOM 0 HE22 GLN A 97 -4.136 5.845 8.768 1.00 0.00 H new ATOM 1560 N LEU A 98 -5.578 10.881 7.090 1.00 0.00 N ATOM 1561 CA LEU A 98 -6.912 11.436 6.772 1.00 0.00 C ATOM 1562 C LEU A 98 -7.646 11.945 8.041 1.00 0.00 C ATOM 1563 O LEU A 98 -7.488 11.366 9.121 1.00 0.00 O ATOM 1564 CB LEU A 98 -7.742 10.401 5.945 1.00 0.00 C ATOM 1565 CG LEU A 98 -7.805 8.924 6.460 1.00 0.00 C ATOM 1566 CD1 LEU A 98 -8.801 8.751 7.623 1.00 0.00 C ATOM 1567 CD2 LEU A 98 -8.114 7.946 5.305 1.00 0.00 C ATOM 0 H LEU A 98 -5.490 9.883 6.897 1.00 0.00 H new ATOM 0 HA LEU A 98 -6.785 12.319 6.145 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -8.764 10.773 5.875 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -7.339 10.384 4.932 1.00 0.00 H new ATOM 0 HG LEU A 98 -6.818 8.682 6.854 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -8.808 7.709 7.944 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -8.501 9.386 8.457 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -9.800 9.035 7.292 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -8.152 6.927 5.691 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -9.076 8.201 4.860 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -7.333 8.018 4.548 1.00 0.00 H new ATOM 1579 N PRO A 99 -8.435 13.064 7.921 1.00 0.00 N ATOM 1580 CA PRO A 99 -9.106 13.701 9.086 1.00 0.00 C ATOM 1581 C PRO A 99 -10.226 12.838 9.717 1.00 0.00 C ATOM 1582 O PRO A 99 -10.345 12.763 10.943 1.00 0.00 O ATOM 1583 CB PRO A 99 -9.672 15.013 8.484 1.00 0.00 C ATOM 1584 CG PRO A 99 -9.848 14.727 7.018 1.00 0.00 C ATOM 1585 CD PRO A 99 -8.700 13.816 6.653 1.00 0.00 C ATOM 0 HA PRO A 99 -8.414 13.852 9.915 1.00 0.00 H new ATOM 0 HB2 PRO A 99 -10.620 15.284 8.949 1.00 0.00 H new ATOM 0 HB3 PRO A 99 -8.989 15.847 8.644 1.00 0.00 H new ATOM 0 HG2 PRO A 99 -10.808 14.249 6.822 1.00 0.00 H new ATOM 0 HG3 PRO A 99 -9.824 15.646 6.432 1.00 0.00 H new ATOM 0 HD2 PRO A 99 -8.964 13.145 5.836 1.00 0.00 H new ATOM 0 HD3 PRO A 99 -7.825 14.381 6.331 1.00 0.00 H new ATOM 1593 N VAL A 100 -11.031 12.188 8.864 1.00 0.00 N ATOM 1594 CA VAL A 100 -12.246 11.465 9.286 1.00 0.00 C ATOM 1595 C VAL A 100 -11.916 9.957 9.423 1.00 0.00 C ATOM 1596 O VAL A 100 -11.944 9.230 8.408 1.00 0.00 O ATOM 1597 CB VAL A 100 -13.426 11.722 8.265 1.00 0.00 C ATOM 1598 CG1 VAL A 100 -14.757 11.062 8.723 1.00 0.00 C ATOM 1599 CG2 VAL A 100 -13.612 13.242 7.999 1.00 0.00 C ATOM 1600 OXT VAL A 100 -11.580 9.515 10.540 1.00 0.00 O ATOM 0 H VAL A 100 -10.860 12.147 7.859 1.00 0.00 H new ATOM 0 HA VAL A 100 -12.580 11.834 10.256 1.00 0.00 H new ATOM 0 HB VAL A 100 -13.146 11.245 7.326 1.00 0.00 H new ATOM 0 HG11 VAL A 100 -15.536 11.267 7.989 1.00 0.00 H new ATOM 0 HG12 VAL A 100 -14.617 9.985 8.812 1.00 0.00 H new ATOM 0 HG13 VAL A 100 -15.052 11.471 9.689 1.00 0.00 H new ATOM 0 HG21 VAL A 100 -14.430 13.391 7.294 1.00 0.00 H new ATOM 0 HG22 VAL A 100 -13.844 13.750 8.935 1.00 0.00 H new ATOM 0 HG23 VAL A 100 -12.693 13.653 7.581 1.00 0.00 H new TER 1610 VAL A 100