USER MOD reduce.3.24.130724 H: found=0, std=0, add=972, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 973 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 34 HIS :FLIP no HD1:sc= -2.99 F(o=-3.6,f=-3) USER MOD Set 1.2: A 115 HIS :FLIP no HD1:sc= -0.0103 X(o=-3,f=-3) USER MOD Single : A 3 TYR OH : rot 150:sc= 1.02 USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 17 MET CE :methyl 131:sc= -2.39! (180deg=-3.8!) USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 33 GLN : amide:sc= -1.23 X(o=-1.2,f=-1.4) USER MOD Single : A 36 SER OG : rot -114:sc= 0.0155 USER MOD Single : A 37 ASN : amide:sc= -2.07 K(o=-2.1,f=-9.5!) USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 ASN : amide:sc= -2.14 K(o=-2.1,f=-6.5!) USER MOD Single : A 40 THR OG1 : rot -63:sc= 0.29 USER MOD Single : A 43 THR OG1 : rot -88:sc= 1.12 USER MOD Single : A 44 ASN : amide:sc= -0.025 X(o=-0.025,f=-0.1) USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 ASN : amide:sc= -2.11 X(o=-2.1,f=-2.1) USER MOD Single : A 50 GLN : amide:sc= -0.267 K(o=-0.27,f=-5.8!) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 52 THR OG1 : rot 180:sc= -0.0311 USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 GLN : amide:sc= -0.015 X(o=-0.015,f=0) USER MOD Single : A 60 ASN : amide:sc= -1.71 K(o=-1.7,f=-7.3!) USER MOD Single : A 61 SER OG : rot -105:sc= -1.35! USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 ASN : amide:sc= -3.33! C(o=-3.3!,f=-6.6!) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 75 ASN : amide:sc= -3.84 K(o=-3.8,f=-6.6!) USER MOD Single : A 80 ASN :FLIP amide:sc= 0.483 F(o=-0.099,f=0.48) USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 86 GLN : amide:sc= -0.115 X(o=-0.11,f=-0.053) USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 94 GLN : amide:sc=-0.00951 X(o=-0.0095,f=0) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 GLN : amide:sc= -0.21 K(o=-0.21,f=-2.1!) USER MOD Single : A 117 GLN : amide:sc= -0.0123 X(o=-0.012,f=0) USER MOD Single : A 118 ASN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : A 122 SER OG : rot 180:sc= 0 USER MOD Single : A 123 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 124 TYR OH : rot 180:sc= 0 USER MOD Single : A 127 ASN : amide:sc= -0.18 K(o=-0.18,f=-1.8!) USER MOD ----------------------------------------------------------------- ATOM 23 N VAL A 2 -4.986 6.323 10.899 1.00 0.00 N ATOM 24 CA VAL A 2 -4.007 5.558 11.652 1.00 0.00 C ATOM 25 C VAL A 2 -4.391 4.079 11.627 1.00 0.00 C ATOM 26 O VAL A 2 -5.480 3.708 12.064 1.00 0.00 O ATOM 27 CB VAL A 2 -3.884 6.120 13.070 1.00 0.00 C ATOM 28 CG1 VAL A 2 -3.096 5.167 13.971 1.00 0.00 C ATOM 29 CG2 VAL A 2 -3.248 7.512 13.055 1.00 0.00 C ATOM 0 HA VAL A 2 -3.021 5.644 11.195 1.00 0.00 H new ATOM 0 HB VAL A 2 -4.889 6.215 13.481 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -3.023 5.590 14.973 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -3.608 4.206 14.019 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -2.095 5.025 13.563 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -3.172 7.888 14.075 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -2.252 7.452 12.615 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -3.866 8.188 12.464 1.00 0.00 H new ATOM 39 N TYR A 3 -3.477 3.271 11.111 1.00 0.00 N ATOM 40 CA TYR A 3 -3.707 1.838 11.023 1.00 0.00 C ATOM 41 C TYR A 3 -2.431 1.057 11.347 1.00 0.00 C ATOM 42 O TYR A 3 -1.425 1.189 10.653 1.00 0.00 O ATOM 43 CB TYR A 3 -4.104 1.563 9.571 1.00 0.00 C ATOM 44 CG TYR A 3 -5.434 2.198 9.160 1.00 0.00 C ATOM 45 CD1 TYR A 3 -6.615 1.742 9.709 1.00 0.00 C ATOM 46 CD2 TYR A 3 -5.452 3.226 8.239 1.00 0.00 C ATOM 47 CE1 TYR A 3 -7.866 2.339 9.321 1.00 0.00 C ATOM 48 CE2 TYR A 3 -6.703 3.824 7.851 1.00 0.00 C ATOM 49 CZ TYR A 3 -7.849 3.351 8.412 1.00 0.00 C ATOM 50 OH TYR A 3 -9.031 3.915 8.045 1.00 0.00 O ATOM 0 H TYR A 3 -2.575 3.581 10.749 1.00 0.00 H new ATOM 0 HA TYR A 3 -4.475 1.528 11.732 1.00 0.00 H new ATOM 0 HB2 TYR A 3 -3.317 1.933 8.913 1.00 0.00 H new ATOM 0 HB3 TYR A 3 -4.165 0.485 9.419 1.00 0.00 H new ATOM 0 HD1 TYR A 3 -6.601 0.938 10.429 1.00 0.00 H new ATOM 0 HD2 TYR A 3 -4.527 3.582 7.809 1.00 0.00 H new ATOM 0 HE1 TYR A 3 -8.798 1.991 9.742 1.00 0.00 H new ATOM 0 HE2 TYR A 3 -6.731 4.629 7.132 1.00 0.00 H new ATOM 0 HH TYR A 3 -8.885 4.855 7.808 1.00 0.00 H new ATOM 60 N GLU A 4 -2.515 0.262 12.403 1.00 0.00 N ATOM 61 CA GLU A 4 -1.381 -0.541 12.827 1.00 0.00 C ATOM 62 C GLU A 4 -1.511 -1.969 12.294 1.00 0.00 C ATOM 63 O GLU A 4 -2.576 -2.365 11.824 1.00 0.00 O ATOM 64 CB GLU A 4 -1.244 -0.536 14.352 1.00 0.00 C ATOM 65 CG GLU A 4 -2.412 -1.276 15.008 1.00 0.00 C ATOM 66 CD GLU A 4 -2.997 -0.462 16.165 1.00 0.00 C ATOM 67 OE1 GLU A 4 -3.402 0.690 15.899 1.00 0.00 O ATOM 68 OE2 GLU A 4 -3.025 -1.011 17.287 1.00 0.00 O ATOM 0 H GLU A 4 -3.351 0.157 12.978 1.00 0.00 H new ATOM 0 HA GLU A 4 -0.475 -0.100 12.412 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -0.303 -1.007 14.638 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -1.210 0.491 14.715 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -3.187 -1.469 14.266 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -2.073 -2.245 15.375 1.00 0.00 H new ATOM 75 N ARG A 5 -0.411 -2.703 12.383 1.00 0.00 N ATOM 76 CA ARG A 5 -0.389 -4.077 11.915 1.00 0.00 C ATOM 77 C ARG A 5 -1.744 -4.744 12.161 1.00 0.00 C ATOM 78 O ARG A 5 -2.376 -5.238 11.228 1.00 0.00 O ATOM 79 CB ARG A 5 0.703 -4.883 12.622 1.00 0.00 C ATOM 80 CG ARG A 5 0.725 -4.578 14.122 1.00 0.00 C ATOM 81 CD ARG A 5 2.139 -4.719 14.689 1.00 0.00 C ATOM 82 NE ARG A 5 2.087 -5.342 16.031 1.00 0.00 N ATOM 83 CZ ARG A 5 1.822 -4.672 17.160 1.00 0.00 C ATOM 84 NH1 ARG A 5 1.586 -3.354 17.118 1.00 0.00 N ATOM 85 NH2 ARG A 5 1.796 -5.320 18.333 1.00 0.00 N ATOM 0 H ARG A 5 0.471 -2.371 12.773 1.00 0.00 H new ATOM 0 HA ARG A 5 -0.177 -4.059 10.846 1.00 0.00 H new ATOM 0 HB2 ARG A 5 0.532 -5.948 12.466 1.00 0.00 H new ATOM 0 HB3 ARG A 5 1.674 -4.648 12.185 1.00 0.00 H new ATOM 0 HG2 ARG A 5 0.358 -3.566 14.297 1.00 0.00 H new ATOM 0 HG3 ARG A 5 0.050 -5.256 14.645 1.00 0.00 H new ATOM 0 HD2 ARG A 5 2.749 -5.327 14.020 1.00 0.00 H new ATOM 0 HD3 ARG A 5 2.614 -3.740 14.752 1.00 0.00 H new ATOM 0 HE ARG A 5 2.264 -6.344 16.100 1.00 0.00 H new ATOM 0 HH11 ARG A 5 1.608 -2.860 16.226 1.00 0.00 H new ATOM 0 HH12 ARG A 5 1.384 -2.844 17.978 1.00 0.00 H new ATOM 0 HH21 ARG A 5 1.978 -6.323 18.366 1.00 0.00 H new ATOM 0 HH22 ARG A 5 1.594 -4.810 19.193 1.00 0.00 H new ATOM 99 N CYS A 6 -2.151 -4.737 13.422 1.00 0.00 N ATOM 100 CA CYS A 6 -3.420 -5.334 13.802 1.00 0.00 C ATOM 101 C CYS A 6 -4.519 -4.719 12.936 1.00 0.00 C ATOM 102 O CYS A 6 -4.967 -5.331 11.967 1.00 0.00 O ATOM 103 CB CYS A 6 -3.703 -5.158 15.295 1.00 0.00 C ATOM 104 SG CYS A 6 -2.477 -5.938 16.407 1.00 0.00 S ATOM 0 H CYS A 6 -1.624 -4.327 14.193 1.00 0.00 H new ATOM 0 HA CYS A 6 -3.384 -6.410 13.631 1.00 0.00 H new ATOM 0 HB2 CYS A 6 -3.748 -4.092 15.518 1.00 0.00 H new ATOM 0 HB3 CYS A 6 -4.687 -5.572 15.515 1.00 0.00 H new ATOM 109 N GLU A 7 -4.924 -3.516 13.316 1.00 0.00 N ATOM 110 CA GLU A 7 -5.963 -2.811 12.585 1.00 0.00 C ATOM 111 C GLU A 7 -5.865 -3.121 11.090 1.00 0.00 C ATOM 112 O GLU A 7 -6.768 -3.728 10.517 1.00 0.00 O ATOM 113 CB GLU A 7 -5.885 -1.304 12.838 1.00 0.00 C ATOM 114 CG GLU A 7 -6.947 -0.862 13.850 1.00 0.00 C ATOM 115 CD GLU A 7 -6.798 0.623 14.186 1.00 0.00 C ATOM 116 OE1 GLU A 7 -5.783 0.960 14.832 1.00 0.00 O ATOM 117 OE2 GLU A 7 -7.705 1.387 13.791 1.00 0.00 O ATOM 0 H GLU A 7 -4.551 -3.012 14.121 1.00 0.00 H new ATOM 0 HA GLU A 7 -6.932 -3.158 12.945 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -4.893 -1.045 13.209 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -6.025 -0.766 11.900 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -7.941 -1.049 13.444 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -6.857 -1.455 14.760 1.00 0.00 H new ATOM 124 N PHE A 8 -4.760 -2.689 10.500 1.00 0.00 N ATOM 125 CA PHE A 8 -4.532 -2.912 9.082 1.00 0.00 C ATOM 126 C PHE A 8 -4.976 -4.317 8.671 1.00 0.00 C ATOM 127 O PHE A 8 -5.758 -4.476 7.735 1.00 0.00 O ATOM 128 CB PHE A 8 -3.027 -2.776 8.844 1.00 0.00 C ATOM 129 CG PHE A 8 -2.665 -2.128 7.506 1.00 0.00 C ATOM 130 CD1 PHE A 8 -3.282 -2.535 6.365 1.00 0.00 C ATOM 131 CD2 PHE A 8 -1.726 -1.146 7.458 1.00 0.00 C ATOM 132 CE1 PHE A 8 -2.946 -1.934 5.123 1.00 0.00 C ATOM 133 CE2 PHE A 8 -1.390 -0.545 6.217 1.00 0.00 C ATOM 134 CZ PHE A 8 -2.007 -0.952 5.074 1.00 0.00 C ATOM 0 H PHE A 8 -4.013 -2.186 10.978 1.00 0.00 H new ATOM 0 HA PHE A 8 -5.103 -2.193 8.495 1.00 0.00 H new ATOM 0 HB2 PHE A 8 -2.594 -2.185 9.651 1.00 0.00 H new ATOM 0 HB3 PHE A 8 -2.571 -3.765 8.892 1.00 0.00 H new ATOM 0 HD1 PHE A 8 -4.028 -3.315 6.403 1.00 0.00 H new ATOM 0 HD2 PHE A 8 -1.236 -0.823 8.364 1.00 0.00 H new ATOM 0 HE1 PHE A 8 -3.437 -2.257 4.217 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -0.645 0.236 6.180 1.00 0.00 H new ATOM 0 HZ PHE A 8 -1.751 -0.495 4.129 1.00 0.00 H new ATOM 144 N ALA A 9 -4.458 -5.301 9.390 1.00 0.00 N ATOM 145 CA ALA A 9 -4.790 -6.688 9.112 1.00 0.00 C ATOM 146 C ALA A 9 -6.308 -6.869 9.191 1.00 0.00 C ATOM 147 O ALA A 9 -6.931 -7.334 8.237 1.00 0.00 O ATOM 148 CB ALA A 9 -4.043 -7.599 10.088 1.00 0.00 C ATOM 0 H ALA A 9 -3.810 -5.165 10.166 1.00 0.00 H new ATOM 0 HA ALA A 9 -4.476 -6.963 8.105 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -4.293 -8.639 9.879 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -2.969 -7.453 9.972 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -4.334 -7.354 11.109 1.00 0.00 H new ATOM 154 N ARG A 10 -6.858 -6.494 10.336 1.00 0.00 N ATOM 155 CA ARG A 10 -8.291 -6.609 10.551 1.00 0.00 C ATOM 156 C ARG A 10 -9.055 -6.037 9.355 1.00 0.00 C ATOM 157 O ARG A 10 -9.826 -6.746 8.710 1.00 0.00 O ATOM 158 CB ARG A 10 -8.718 -5.870 11.820 1.00 0.00 C ATOM 159 CG ARG A 10 -10.206 -6.084 12.105 1.00 0.00 C ATOM 160 CD ARG A 10 -10.618 -5.403 13.412 1.00 0.00 C ATOM 161 NE ARG A 10 -11.856 -4.619 13.206 1.00 0.00 N ATOM 162 CZ ARG A 10 -11.885 -3.379 12.698 1.00 0.00 C ATOM 163 NH1 ARG A 10 -10.743 -2.776 12.341 1.00 0.00 N ATOM 164 NH2 ARG A 10 -13.055 -2.745 12.547 1.00 0.00 N ATOM 0 H ARG A 10 -6.338 -6.110 11.125 1.00 0.00 H new ATOM 0 HA ARG A 10 -8.525 -7.668 10.664 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -8.128 -6.222 12.666 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -8.515 -4.805 11.711 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -10.799 -5.686 11.281 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -10.419 -7.151 12.164 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -10.777 -6.152 14.188 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -9.818 -4.750 13.759 1.00 0.00 H new ATOM 0 HE ARG A 10 -12.743 -5.049 13.467 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -9.853 -3.261 12.456 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -10.764 -1.832 11.954 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -13.924 -3.206 12.819 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -13.078 -1.801 12.160 1.00 0.00 H new ATOM 178 N THR A 11 -8.813 -4.761 9.095 1.00 0.00 N ATOM 179 CA THR A 11 -9.469 -4.086 7.987 1.00 0.00 C ATOM 180 C THR A 11 -9.322 -4.903 6.702 1.00 0.00 C ATOM 181 O THR A 11 -10.316 -5.245 6.063 1.00 0.00 O ATOM 182 CB THR A 11 -8.886 -2.675 7.881 1.00 0.00 C ATOM 183 OG1 THR A 11 -9.412 -1.995 9.017 1.00 0.00 O ATOM 184 CG2 THR A 11 -9.446 -1.898 6.687 1.00 0.00 C ATOM 0 H THR A 11 -8.172 -4.176 9.632 1.00 0.00 H new ATOM 0 HA THR A 11 -10.542 -3.998 8.157 1.00 0.00 H new ATOM 0 HB THR A 11 -7.801 -2.736 7.797 1.00 0.00 H new ATOM 0 HG1 THR A 11 -9.083 -1.072 9.027 1.00 0.00 H new ATOM 0 HG21 THR A 11 -9.000 -0.904 6.658 1.00 0.00 H new ATOM 0 HG22 THR A 11 -9.210 -2.429 5.765 1.00 0.00 H new ATOM 0 HG23 THR A 11 -10.528 -1.807 6.787 1.00 0.00 H new ATOM 192 N LEU A 12 -8.075 -5.193 6.362 1.00 0.00 N ATOM 193 CA LEU A 12 -7.784 -5.963 5.166 1.00 0.00 C ATOM 194 C LEU A 12 -8.721 -7.171 5.102 1.00 0.00 C ATOM 195 O LEU A 12 -9.403 -7.381 4.100 1.00 0.00 O ATOM 196 CB LEU A 12 -6.301 -6.332 5.112 1.00 0.00 C ATOM 197 CG LEU A 12 -5.573 -5.997 3.808 1.00 0.00 C ATOM 198 CD1 LEU A 12 -5.097 -4.543 3.803 1.00 0.00 C ATOM 199 CD2 LEU A 12 -4.427 -6.977 3.553 1.00 0.00 C ATOM 0 H LEU A 12 -7.254 -4.908 6.895 1.00 0.00 H new ATOM 0 HA LEU A 12 -7.972 -5.365 4.274 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -5.791 -5.824 5.930 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -6.207 -7.403 5.293 1.00 0.00 H new ATOM 0 HG LEU A 12 -6.279 -6.106 2.985 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -4.583 -4.332 2.865 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -5.955 -3.879 3.904 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -4.413 -4.381 4.636 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -3.926 -6.717 2.620 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -3.713 -6.924 4.375 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -4.823 -7.990 3.481 1.00 0.00 H new ATOM 211 N LYS A 13 -8.724 -7.935 6.185 1.00 0.00 N ATOM 212 CA LYS A 13 -9.565 -9.117 6.265 1.00 0.00 C ATOM 213 C LYS A 13 -11.035 -8.693 6.256 1.00 0.00 C ATOM 214 O LYS A 13 -11.902 -9.456 5.835 1.00 0.00 O ATOM 215 CB LYS A 13 -9.179 -9.968 7.476 1.00 0.00 C ATOM 216 CG LYS A 13 -9.410 -11.454 7.198 1.00 0.00 C ATOM 217 CD LYS A 13 -9.234 -12.285 8.471 1.00 0.00 C ATOM 218 CE LYS A 13 -9.173 -13.779 8.147 1.00 0.00 C ATOM 219 NZ LYS A 13 -9.973 -14.554 9.122 1.00 0.00 N ATOM 0 H LYS A 13 -8.157 -7.758 7.014 1.00 0.00 H new ATOM 0 HA LYS A 13 -9.411 -9.754 5.394 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -8.131 -9.799 7.724 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -9.765 -9.661 8.342 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -10.414 -11.601 6.800 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -8.711 -11.798 6.436 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -8.321 -11.983 8.983 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -10.061 -12.091 9.154 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -9.548 -13.954 7.139 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -8.138 -14.119 8.165 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -9.921 -15.566 8.888 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -9.597 -14.401 10.079 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -10.964 -14.241 9.085 1.00 0.00 H new ATOM 233 N ARG A 14 -11.270 -7.475 6.723 1.00 0.00 N ATOM 234 CA ARG A 14 -12.619 -6.941 6.773 1.00 0.00 C ATOM 235 C ARG A 14 -13.070 -6.505 5.378 1.00 0.00 C ATOM 236 O ARG A 14 -14.264 -6.498 5.081 1.00 0.00 O ATOM 237 CB ARG A 14 -12.703 -5.745 7.724 1.00 0.00 C ATOM 238 CG ARG A 14 -14.155 -5.310 7.933 1.00 0.00 C ATOM 239 CD ARG A 14 -14.244 -4.154 8.930 1.00 0.00 C ATOM 240 NE ARG A 14 -15.528 -3.437 8.761 1.00 0.00 N ATOM 241 CZ ARG A 14 -16.716 -3.923 9.144 1.00 0.00 C ATOM 242 NH1 ARG A 14 -16.792 -5.130 9.719 1.00 0.00 N ATOM 243 NH2 ARG A 14 -17.829 -3.202 8.950 1.00 0.00 N ATOM 0 H ARG A 14 -10.548 -6.843 7.070 1.00 0.00 H new ATOM 0 HA ARG A 14 -13.274 -7.731 7.140 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -12.257 -6.007 8.683 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -12.125 -4.914 7.320 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -14.588 -5.007 6.980 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -14.742 -6.154 8.296 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -14.162 -4.534 9.948 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -13.412 -3.467 8.778 1.00 0.00 H new ATOM 0 HE ARG A 14 -15.507 -2.515 8.326 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -15.945 -5.679 9.865 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -17.697 -5.500 10.011 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -17.771 -2.283 8.511 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -18.734 -3.572 9.242 1.00 0.00 H new ATOM 257 N ASN A 15 -12.091 -6.152 4.558 1.00 0.00 N ATOM 258 CA ASN A 15 -12.371 -5.717 3.200 1.00 0.00 C ATOM 259 C ASN A 15 -12.368 -6.931 2.269 1.00 0.00 C ATOM 260 O ASN A 15 -13.230 -7.054 1.400 1.00 0.00 O ATOM 261 CB ASN A 15 -11.307 -4.737 2.705 1.00 0.00 C ATOM 262 CG ASN A 15 -11.937 -3.616 1.876 1.00 0.00 C ATOM 263 OD1 ASN A 15 -12.449 -2.638 2.395 1.00 0.00 O ATOM 264 ND2 ASN A 15 -11.871 -3.812 0.562 1.00 0.00 N ATOM 0 H ASN A 15 -11.102 -6.158 4.808 1.00 0.00 H new ATOM 0 HA ASN A 15 -13.343 -5.224 3.198 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -10.776 -4.310 3.556 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -10.570 -5.269 2.103 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -12.263 -3.121 -0.077 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -11.428 -4.654 0.194 1.00 0.00 H new ATOM 271 N GLY A 16 -11.388 -7.797 2.481 1.00 0.00 N ATOM 272 CA GLY A 16 -11.260 -8.997 1.672 1.00 0.00 C ATOM 273 C GLY A 16 -10.033 -8.916 0.762 1.00 0.00 C ATOM 274 O GLY A 16 -10.154 -8.983 -0.460 1.00 0.00 O ATOM 0 H GLY A 16 -10.674 -7.691 3.202 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -11.180 -9.870 2.320 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -12.157 -9.130 1.068 1.00 0.00 H new ATOM 278 N MET A 17 -8.876 -8.775 1.394 1.00 0.00 N ATOM 279 CA MET A 17 -7.627 -8.685 0.658 1.00 0.00 C ATOM 280 C MET A 17 -6.591 -9.663 1.214 1.00 0.00 C ATOM 281 O MET A 17 -5.870 -10.308 0.454 1.00 0.00 O ATOM 282 CB MET A 17 -7.082 -7.258 0.748 1.00 0.00 C ATOM 283 CG MET A 17 -7.204 -6.539 -0.597 1.00 0.00 C ATOM 284 SD MET A 17 -5.615 -5.892 -1.089 1.00 0.00 S ATOM 285 CE MET A 17 -5.822 -5.880 -2.862 1.00 0.00 C ATOM 0 H MET A 17 -8.778 -8.721 2.408 1.00 0.00 H new ATOM 0 HA MET A 17 -7.822 -8.944 -0.383 1.00 0.00 H new ATOM 0 HB2 MET A 17 -7.628 -6.704 1.512 1.00 0.00 H new ATOM 0 HB3 MET A 17 -6.037 -7.283 1.058 1.00 0.00 H new ATOM 0 HG2 MET A 17 -7.576 -7.228 -1.355 1.00 0.00 H new ATOM 0 HG3 MET A 17 -7.928 -5.728 -0.521 1.00 0.00 H new ATOM 0 HE1 MET A 17 -5.523 -4.909 -3.257 1.00 0.00 H new ATOM 0 HE2 MET A 17 -5.202 -6.659 -3.306 1.00 0.00 H new ATOM 0 HE3 MET A 17 -6.868 -6.065 -3.107 1.00 0.00 H new ATOM 295 N ALA A 18 -6.550 -9.743 2.536 1.00 0.00 N ATOM 296 CA ALA A 18 -5.614 -10.632 3.204 1.00 0.00 C ATOM 297 C ALA A 18 -5.851 -12.067 2.726 1.00 0.00 C ATOM 298 O ALA A 18 -6.958 -12.589 2.844 1.00 0.00 O ATOM 299 CB ALA A 18 -5.766 -10.490 4.720 1.00 0.00 C ATOM 0 H ALA A 18 -7.150 -9.207 3.163 1.00 0.00 H new ATOM 0 HA ALA A 18 -4.587 -10.366 2.954 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -5.064 -11.157 5.220 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -5.559 -9.460 5.012 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -6.784 -10.751 5.010 1.00 0.00 H new ATOM 305 N GLY A 19 -4.791 -12.663 2.197 1.00 0.00 N ATOM 306 CA GLY A 19 -4.871 -14.026 1.702 1.00 0.00 C ATOM 307 C GLY A 19 -5.157 -14.047 0.199 1.00 0.00 C ATOM 308 O GLY A 19 -5.624 -15.053 -0.333 1.00 0.00 O ATOM 0 H GLY A 19 -3.874 -12.227 2.101 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -3.935 -14.546 1.905 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -5.656 -14.564 2.233 1.00 0.00 H new ATOM 312 N TYR A 20 -4.865 -12.926 -0.442 1.00 0.00 N ATOM 313 CA TYR A 20 -5.087 -12.803 -1.873 1.00 0.00 C ATOM 314 C TYR A 20 -4.496 -13.998 -2.624 1.00 0.00 C ATOM 315 O TYR A 20 -3.949 -14.914 -2.010 1.00 0.00 O ATOM 316 CB TYR A 20 -4.353 -11.532 -2.306 1.00 0.00 C ATOM 317 CG TYR A 20 -5.032 -10.782 -3.455 1.00 0.00 C ATOM 318 CD1 TYR A 20 -6.268 -10.200 -3.264 1.00 0.00 C ATOM 319 CD2 TYR A 20 -4.407 -10.689 -4.682 1.00 0.00 C ATOM 320 CE1 TYR A 20 -6.907 -9.494 -4.344 1.00 0.00 C ATOM 321 CE2 TYR A 20 -5.045 -9.984 -5.763 1.00 0.00 C ATOM 322 CZ TYR A 20 -6.263 -9.421 -5.541 1.00 0.00 C ATOM 323 OH TYR A 20 -6.867 -8.754 -6.561 1.00 0.00 O ATOM 0 H TYR A 20 -4.477 -12.094 0.003 1.00 0.00 H new ATOM 0 HA TYR A 20 -6.154 -12.766 -2.094 1.00 0.00 H new ATOM 0 HB2 TYR A 20 -4.269 -10.864 -1.449 1.00 0.00 H new ATOM 0 HB3 TYR A 20 -3.339 -11.795 -2.606 1.00 0.00 H new ATOM 0 HD1 TYR A 20 -6.757 -10.274 -2.304 1.00 0.00 H new ATOM 0 HD2 TYR A 20 -3.439 -11.145 -4.831 1.00 0.00 H new ATOM 0 HE1 TYR A 20 -7.874 -9.033 -4.208 1.00 0.00 H new ATOM 0 HE2 TYR A 20 -4.567 -9.904 -6.728 1.00 0.00 H new ATOM 0 HH TYR A 20 -6.293 -8.781 -7.355 1.00 0.00 H new ATOM 333 N TYR A 21 -4.627 -13.953 -3.941 1.00 0.00 N ATOM 334 CA TYR A 21 -4.113 -15.021 -4.782 1.00 0.00 C ATOM 335 C TYR A 21 -2.819 -15.597 -4.206 1.00 0.00 C ATOM 336 O TYR A 21 -2.626 -16.812 -4.197 1.00 0.00 O ATOM 337 CB TYR A 21 -3.812 -14.381 -6.140 1.00 0.00 C ATOM 338 CG TYR A 21 -4.817 -14.745 -7.234 1.00 0.00 C ATOM 339 CD1 TYR A 21 -4.873 -16.036 -7.719 1.00 0.00 C ATOM 340 CD2 TYR A 21 -5.668 -13.781 -7.737 1.00 0.00 C ATOM 341 CE1 TYR A 21 -5.819 -16.377 -8.750 1.00 0.00 C ATOM 342 CE2 TYR A 21 -6.613 -14.123 -8.768 1.00 0.00 C ATOM 343 CZ TYR A 21 -6.643 -15.404 -9.223 1.00 0.00 C ATOM 344 OH TYR A 21 -7.536 -15.726 -10.197 1.00 0.00 O ATOM 0 H TYR A 21 -5.082 -13.193 -4.447 1.00 0.00 H new ATOM 0 HA TYR A 21 -4.835 -15.834 -4.854 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -3.793 -13.297 -6.024 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -2.815 -14.684 -6.461 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -4.208 -16.790 -7.325 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -5.625 -12.771 -7.357 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -5.873 -17.383 -9.139 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -7.283 -13.378 -9.171 1.00 0.00 H new ATOM 0 HH TYR A 21 -8.059 -14.933 -10.437 1.00 0.00 H new ATOM 354 N GLY A 22 -1.964 -14.699 -3.738 1.00 0.00 N ATOM 355 CA GLY A 22 -0.693 -15.103 -3.161 1.00 0.00 C ATOM 356 C GLY A 22 -0.380 -14.292 -1.903 1.00 0.00 C ATOM 357 O GLY A 22 -0.306 -14.844 -0.806 1.00 0.00 O ATOM 0 H GLY A 22 -2.127 -13.692 -3.747 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -0.722 -16.165 -2.916 1.00 0.00 H new ATOM 0 HA3 GLY A 22 0.103 -14.967 -3.893 1.00 0.00 H new ATOM 361 N VAL A 23 -0.204 -12.994 -2.103 1.00 0.00 N ATOM 362 CA VAL A 23 0.101 -12.102 -0.997 1.00 0.00 C ATOM 363 C VAL A 23 -0.821 -12.424 0.181 1.00 0.00 C ATOM 364 O VAL A 23 -2.033 -12.238 0.095 1.00 0.00 O ATOM 365 CB VAL A 23 -0.004 -10.645 -1.457 1.00 0.00 C ATOM 366 CG1 VAL A 23 1.162 -10.277 -2.376 1.00 0.00 C ATOM 367 CG2 VAL A 23 -1.347 -10.382 -2.140 1.00 0.00 C ATOM 0 H VAL A 23 -0.267 -12.539 -3.014 1.00 0.00 H new ATOM 0 HA VAL A 23 1.126 -12.250 -0.658 1.00 0.00 H new ATOM 0 HB VAL A 23 0.052 -10.008 -0.574 1.00 0.00 H new ATOM 0 HG11 VAL A 23 1.064 -9.237 -2.689 1.00 0.00 H new ATOM 0 HG12 VAL A 23 2.102 -10.408 -1.841 1.00 0.00 H new ATOM 0 HG13 VAL A 23 1.151 -10.923 -3.254 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -1.396 -9.340 -2.457 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -1.446 -11.031 -3.010 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -2.157 -10.587 -1.440 1.00 0.00 H new ATOM 377 N SER A 24 -0.209 -12.901 1.255 1.00 0.00 N ATOM 378 CA SER A 24 -0.959 -13.252 2.450 1.00 0.00 C ATOM 379 C SER A 24 -1.033 -12.049 3.393 1.00 0.00 C ATOM 380 O SER A 24 -0.296 -11.078 3.226 1.00 0.00 O ATOM 381 CB SER A 24 -0.328 -14.449 3.165 1.00 0.00 C ATOM 382 OG SER A 24 -1.211 -15.567 3.213 1.00 0.00 O ATOM 0 H SER A 24 0.797 -13.053 1.323 1.00 0.00 H new ATOM 0 HA SER A 24 -1.968 -13.534 2.150 1.00 0.00 H new ATOM 0 HB2 SER A 24 0.591 -14.734 2.653 1.00 0.00 H new ATOM 0 HB3 SER A 24 -0.052 -14.161 4.179 1.00 0.00 H new ATOM 0 HG SER A 24 -0.772 -16.311 3.675 1.00 0.00 H new ATOM 388 N LEU A 25 -1.928 -12.152 4.363 1.00 0.00 N ATOM 389 CA LEU A 25 -2.108 -11.085 5.333 1.00 0.00 C ATOM 390 C LEU A 25 -0.741 -10.644 5.859 1.00 0.00 C ATOM 391 O LEU A 25 -0.473 -9.450 5.979 1.00 0.00 O ATOM 392 CB LEU A 25 -3.080 -11.518 6.433 1.00 0.00 C ATOM 393 CG LEU A 25 -3.157 -10.604 7.658 1.00 0.00 C ATOM 394 CD1 LEU A 25 -3.568 -9.186 7.259 1.00 0.00 C ATOM 395 CD2 LEU A 25 -4.084 -11.193 8.723 1.00 0.00 C ATOM 0 H LEU A 25 -2.537 -12.959 4.499 1.00 0.00 H new ATOM 0 HA LEU A 25 -2.565 -10.215 4.861 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -4.077 -11.596 5.999 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -2.798 -12.517 6.767 1.00 0.00 H new ATOM 0 HG LEU A 25 -2.162 -10.538 8.099 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -3.615 -8.557 8.148 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -2.835 -8.777 6.564 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -4.547 -9.212 6.781 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -4.121 -10.524 9.583 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -5.086 -11.309 8.310 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -3.706 -12.166 9.036 1.00 0.00 H new ATOM 407 N ALA A 26 0.088 -11.633 6.159 1.00 0.00 N ATOM 408 CA ALA A 26 1.422 -11.362 6.670 1.00 0.00 C ATOM 409 C ALA A 26 2.194 -10.525 5.649 1.00 0.00 C ATOM 410 O ALA A 26 2.890 -9.580 6.015 1.00 0.00 O ATOM 411 CB ALA A 26 2.123 -12.683 6.991 1.00 0.00 C ATOM 0 H ALA A 26 -0.138 -12.623 6.058 1.00 0.00 H new ATOM 0 HA ALA A 26 1.370 -10.787 7.595 1.00 0.00 H new ATOM 0 HB1 ALA A 26 3.123 -12.480 7.374 1.00 0.00 H new ATOM 0 HB2 ALA A 26 1.550 -13.226 7.742 1.00 0.00 H new ATOM 0 HB3 ALA A 26 2.196 -13.285 6.086 1.00 0.00 H new ATOM 417 N ASP A 27 2.046 -10.904 4.387 1.00 0.00 N ATOM 418 CA ASP A 27 2.721 -10.200 3.311 1.00 0.00 C ATOM 419 C ASP A 27 2.196 -8.765 3.238 1.00 0.00 C ATOM 420 O ASP A 27 2.964 -7.829 3.015 1.00 0.00 O ATOM 421 CB ASP A 27 2.454 -10.870 1.962 1.00 0.00 C ATOM 422 CG ASP A 27 3.110 -10.188 0.759 1.00 0.00 C ATOM 423 OD1 ASP A 27 3.308 -8.957 0.843 1.00 0.00 O ATOM 424 OD2 ASP A 27 3.398 -10.914 -0.216 1.00 0.00 O ATOM 0 H ASP A 27 1.469 -11.689 4.087 1.00 0.00 H new ATOM 0 HA ASP A 27 3.791 -10.217 3.517 1.00 0.00 H new ATOM 0 HB2 ASP A 27 2.803 -11.902 2.010 1.00 0.00 H new ATOM 0 HB3 ASP A 27 1.377 -10.905 1.798 1.00 0.00 H new ATOM 429 N TRP A 28 0.891 -8.635 3.429 1.00 0.00 N ATOM 430 CA TRP A 28 0.255 -7.330 3.388 1.00 0.00 C ATOM 431 C TRP A 28 0.778 -6.511 4.569 1.00 0.00 C ATOM 432 O TRP A 28 1.389 -5.460 4.379 1.00 0.00 O ATOM 433 CB TRP A 28 -1.269 -7.463 3.380 1.00 0.00 C ATOM 434 CG TRP A 28 -1.861 -7.774 2.004 1.00 0.00 C ATOM 435 CD1 TRP A 28 -2.354 -8.939 1.563 1.00 0.00 C ATOM 436 CD2 TRP A 28 -2.001 -6.854 0.900 1.00 0.00 C ATOM 437 NE1 TRP A 28 -2.801 -8.838 0.261 1.00 0.00 N ATOM 438 CE2 TRP A 28 -2.579 -7.530 -0.155 1.00 0.00 C ATOM 439 CE3 TRP A 28 -1.650 -5.497 0.797 1.00 0.00 C ATOM 440 CZ2 TRP A 28 -2.858 -6.931 -1.388 1.00 0.00 C ATOM 441 CZ3 TRP A 28 -1.936 -4.912 -0.443 1.00 0.00 C ATOM 442 CH2 TRP A 28 -2.518 -5.578 -1.514 1.00 0.00 C ATOM 0 H TRP A 28 0.257 -9.413 3.613 1.00 0.00 H new ATOM 0 HA TRP A 28 0.506 -6.808 2.465 1.00 0.00 H new ATOM 0 HB2 TRP A 28 -1.558 -8.252 4.075 1.00 0.00 H new ATOM 0 HB3 TRP A 28 -1.706 -6.536 3.751 1.00 0.00 H new ATOM 0 HD1 TRP A 28 -2.396 -9.843 2.152 1.00 0.00 H new ATOM 0 HE1 TRP A 28 -3.218 -9.586 -0.294 1.00 0.00 H new ATOM 0 HE3 TRP A 28 -1.196 -4.949 1.609 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 -3.311 -7.482 -2.199 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 -1.686 -3.870 -0.576 1.00 0.00 H new ATOM 0 HH2 TRP A 28 -2.708 -5.055 -2.440 1.00 0.00 H new ATOM 453 N VAL A 29 0.520 -7.023 5.763 1.00 0.00 N ATOM 454 CA VAL A 29 0.958 -6.352 6.976 1.00 0.00 C ATOM 455 C VAL A 29 2.432 -5.969 6.838 1.00 0.00 C ATOM 456 O VAL A 29 2.785 -4.796 6.950 1.00 0.00 O ATOM 457 CB VAL A 29 0.682 -7.238 8.193 1.00 0.00 C ATOM 458 CG1 VAL A 29 1.291 -6.634 9.460 1.00 0.00 C ATOM 459 CG2 VAL A 29 -0.819 -7.479 8.366 1.00 0.00 C ATOM 0 H VAL A 29 0.013 -7.895 5.917 1.00 0.00 H new ATOM 0 HA VAL A 29 0.396 -5.431 7.127 1.00 0.00 H new ATOM 0 HB VAL A 29 1.158 -8.203 8.020 1.00 0.00 H new ATOM 0 HG11 VAL A 29 1.080 -7.283 10.310 1.00 0.00 H new ATOM 0 HG12 VAL A 29 2.370 -6.538 9.335 1.00 0.00 H new ATOM 0 HG13 VAL A 29 0.857 -5.650 9.639 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -0.988 -8.111 9.238 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -1.327 -6.525 8.506 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -1.213 -7.973 7.478 1.00 0.00 H new ATOM 469 N CYS A 30 3.254 -6.980 6.597 1.00 0.00 N ATOM 470 CA CYS A 30 4.682 -6.764 6.443 1.00 0.00 C ATOM 471 C CYS A 30 4.893 -5.698 5.365 1.00 0.00 C ATOM 472 O CYS A 30 5.665 -4.759 5.557 1.00 0.00 O ATOM 473 CB CYS A 30 5.419 -8.063 6.112 1.00 0.00 C ATOM 474 SG CYS A 30 5.496 -8.470 4.329 1.00 0.00 S ATOM 0 H CYS A 30 2.958 -7.952 6.505 1.00 0.00 H new ATOM 0 HA CYS A 30 5.103 -6.415 7.386 1.00 0.00 H new ATOM 0 HB2 CYS A 30 6.436 -7.996 6.499 1.00 0.00 H new ATOM 0 HB3 CYS A 30 4.932 -8.885 6.637 1.00 0.00 H new ATOM 479 N LEU A 31 4.193 -5.878 4.255 1.00 0.00 N ATOM 480 CA LEU A 31 4.294 -4.944 3.146 1.00 0.00 C ATOM 481 C LEU A 31 4.022 -3.527 3.654 1.00 0.00 C ATOM 482 O LEU A 31 4.852 -2.634 3.487 1.00 0.00 O ATOM 483 CB LEU A 31 3.377 -5.373 1.999 1.00 0.00 C ATOM 484 CG LEU A 31 3.006 -4.281 0.993 1.00 0.00 C ATOM 485 CD1 LEU A 31 4.077 -4.147 -0.091 1.00 0.00 C ATOM 486 CD2 LEU A 31 1.617 -4.532 0.400 1.00 0.00 C ATOM 0 H LEU A 31 3.553 -6.657 4.099 1.00 0.00 H new ATOM 0 HA LEU A 31 5.303 -4.948 2.734 1.00 0.00 H new ATOM 0 HB2 LEU A 31 3.860 -6.188 1.459 1.00 0.00 H new ATOM 0 HB3 LEU A 31 2.458 -5.774 2.426 1.00 0.00 H new ATOM 0 HG LEU A 31 2.963 -3.329 1.522 1.00 0.00 H new ATOM 0 HD11 LEU A 31 3.789 -3.364 -0.793 1.00 0.00 H new ATOM 0 HD12 LEU A 31 5.030 -3.888 0.370 1.00 0.00 H new ATOM 0 HD13 LEU A 31 4.176 -5.093 -0.623 1.00 0.00 H new ATOM 0 HD21 LEU A 31 1.377 -3.742 -0.312 1.00 0.00 H new ATOM 0 HD22 LEU A 31 1.608 -5.495 -0.110 1.00 0.00 H new ATOM 0 HD23 LEU A 31 0.876 -4.538 1.199 1.00 0.00 H new ATOM 498 N ALA A 32 2.856 -3.364 4.263 1.00 0.00 N ATOM 499 CA ALA A 32 2.464 -2.071 4.795 1.00 0.00 C ATOM 500 C ALA A 32 3.460 -1.647 5.878 1.00 0.00 C ATOM 501 O ALA A 32 3.627 -0.456 6.140 1.00 0.00 O ATOM 502 CB ALA A 32 1.029 -2.148 5.322 1.00 0.00 C ATOM 0 H ALA A 32 2.170 -4.107 4.399 1.00 0.00 H new ATOM 0 HA ALA A 32 2.484 -1.313 4.012 1.00 0.00 H new ATOM 0 HB1 ALA A 32 0.735 -1.177 5.721 1.00 0.00 H new ATOM 0 HB2 ALA A 32 0.357 -2.424 4.509 1.00 0.00 H new ATOM 0 HB3 ALA A 32 0.971 -2.897 6.111 1.00 0.00 H new ATOM 508 N GLN A 33 4.095 -2.644 6.475 1.00 0.00 N ATOM 509 CA GLN A 33 5.069 -2.389 7.523 1.00 0.00 C ATOM 510 C GLN A 33 6.307 -1.702 6.941 1.00 0.00 C ATOM 511 O GLN A 33 6.730 -0.657 7.433 1.00 0.00 O ATOM 512 CB GLN A 33 5.450 -3.683 8.244 1.00 0.00 C ATOM 513 CG GLN A 33 6.004 -3.390 9.641 1.00 0.00 C ATOM 514 CD GLN A 33 7.400 -2.769 9.556 1.00 0.00 C ATOM 515 OE1 GLN A 33 8.293 -3.275 8.896 1.00 0.00 O ATOM 516 NE2 GLN A 33 7.538 -1.650 10.262 1.00 0.00 N ATOM 0 H GLN A 33 3.955 -3.630 6.253 1.00 0.00 H new ATOM 0 HA GLN A 33 4.617 -1.722 8.257 1.00 0.00 H new ATOM 0 HB2 GLN A 33 4.576 -4.330 8.324 1.00 0.00 H new ATOM 0 HB3 GLN A 33 6.195 -4.223 7.660 1.00 0.00 H new ATOM 0 HG2 GLN A 33 5.332 -2.713 10.168 1.00 0.00 H new ATOM 0 HG3 GLN A 33 6.047 -4.312 10.220 1.00 0.00 H new ATOM 0 HE21 GLN A 33 6.749 -1.281 10.792 1.00 0.00 H new ATOM 0 HE22 GLN A 33 8.433 -1.161 10.273 1.00 0.00 H new ATOM 525 N HIS A 34 6.851 -2.316 5.901 1.00 0.00 N ATOM 526 CA HIS A 34 8.032 -1.777 5.247 1.00 0.00 C ATOM 527 C HIS A 34 7.681 -0.454 4.564 1.00 0.00 C ATOM 528 O HIS A 34 8.557 0.375 4.320 1.00 0.00 O ATOM 529 CB HIS A 34 8.635 -2.801 4.283 1.00 0.00 C ATOM 530 CG HIS A 34 10.095 -2.571 3.977 1.00 0.00 C ATOM 531 ND1 HIS A 34 11.190 -3.346 4.225 1.00 0.00 N flip ATOM 532 CD2 HIS A 34 10.557 -1.431 3.342 1.00 0.00 C flip ATOM 533 CE1 HIS A 34 12.263 -2.713 3.765 1.00 0.00 C flip ATOM 534 NE2 HIS A 34 11.873 -1.527 3.218 1.00 0.00 N flip ATOM 0 H HIS A 34 6.496 -3.182 5.495 1.00 0.00 H new ATOM 0 HA HIS A 34 8.801 -1.569 5.991 1.00 0.00 H new ATOM 0 HB2 HIS A 34 8.516 -3.798 4.707 1.00 0.00 H new ATOM 0 HB3 HIS A 34 8.072 -2.782 3.350 1.00 0.00 H new ATOM 0 HD2 HIS A 34 9.949 -0.604 3.005 1.00 0.00 H new ATOM 0 HE1 HIS A 34 13.278 -3.078 3.816 1.00 0.00 H new ATOM 0 HE2 HIS A 34 12.487 -0.835 2.788 1.00 0.00 H new ATOM 543 N GLU A 35 6.397 -0.297 4.275 1.00 0.00 N ATOM 544 CA GLU A 35 5.919 0.911 3.625 1.00 0.00 C ATOM 545 C GLU A 35 5.833 2.058 4.634 1.00 0.00 C ATOM 546 O GLU A 35 6.548 3.052 4.514 1.00 0.00 O ATOM 547 CB GLU A 35 4.568 0.673 2.948 1.00 0.00 C ATOM 548 CG GLU A 35 4.736 -0.125 1.654 1.00 0.00 C ATOM 549 CD GLU A 35 5.751 0.544 0.725 1.00 0.00 C ATOM 550 OE1 GLU A 35 5.320 1.435 -0.039 1.00 0.00 O ATOM 551 OE2 GLU A 35 6.935 0.150 0.800 1.00 0.00 O ATOM 0 H GLU A 35 5.674 -0.986 4.479 1.00 0.00 H new ATOM 0 HA GLU A 35 6.632 1.189 2.849 1.00 0.00 H new ATOM 0 HB2 GLU A 35 3.906 0.136 3.627 1.00 0.00 H new ATOM 0 HB3 GLU A 35 4.093 1.630 2.730 1.00 0.00 H new ATOM 0 HG2 GLU A 35 5.064 -1.138 1.887 1.00 0.00 H new ATOM 0 HG3 GLU A 35 3.775 -0.210 1.147 1.00 0.00 H new ATOM 558 N SER A 36 4.950 1.883 5.606 1.00 0.00 N ATOM 559 CA SER A 36 4.760 2.891 6.636 1.00 0.00 C ATOM 560 C SER A 36 4.004 2.290 7.823 1.00 0.00 C ATOM 561 O SER A 36 4.564 2.140 8.908 1.00 0.00 O ATOM 562 CB SER A 36 4.007 4.104 6.086 1.00 0.00 C ATOM 563 OG SER A 36 3.908 5.151 7.048 1.00 0.00 O ATOM 0 H SER A 36 4.358 1.058 5.702 1.00 0.00 H new ATOM 0 HA SER A 36 5.741 3.227 6.971 1.00 0.00 H new ATOM 0 HB2 SER A 36 4.517 4.475 5.197 1.00 0.00 H new ATOM 0 HB3 SER A 36 3.007 3.800 5.776 1.00 0.00 H new ATOM 0 HG SER A 36 2.968 5.282 7.294 1.00 0.00 H new ATOM 569 N ASN A 37 2.745 1.963 7.577 1.00 0.00 N ATOM 570 CA ASN A 37 1.906 1.382 8.612 1.00 0.00 C ATOM 571 C ASN A 37 1.662 2.423 9.707 1.00 0.00 C ATOM 572 O ASN A 37 2.210 3.522 9.657 1.00 0.00 O ATOM 573 CB ASN A 37 2.583 0.170 9.254 1.00 0.00 C ATOM 574 CG ASN A 37 1.559 -0.724 9.955 1.00 0.00 C ATOM 575 OD1 ASN A 37 1.241 -0.552 11.121 1.00 0.00 O ATOM 576 ND2 ASN A 37 1.061 -1.685 9.182 1.00 0.00 N ATOM 0 H ASN A 37 2.284 2.089 6.676 1.00 0.00 H new ATOM 0 HA ASN A 37 0.969 1.069 8.151 1.00 0.00 H new ATOM 0 HB2 ASN A 37 3.109 -0.403 8.491 1.00 0.00 H new ATOM 0 HB3 ASN A 37 3.331 0.505 9.973 1.00 0.00 H new ATOM 0 HD21 ASN A 37 0.369 -2.334 9.557 1.00 0.00 H new ATOM 0 HD22 ASN A 37 1.371 -1.773 8.214 1.00 0.00 H new ATOM 583 N TYR A 38 0.839 2.037 10.672 1.00 0.00 N ATOM 584 CA TYR A 38 0.515 2.922 11.778 1.00 0.00 C ATOM 585 C TYR A 38 -0.200 4.181 11.282 1.00 0.00 C ATOM 586 O TYR A 38 -1.351 4.427 11.638 1.00 0.00 O ATOM 587 CB TYR A 38 1.853 3.323 12.402 1.00 0.00 C ATOM 588 CG TYR A 38 2.344 2.364 13.489 1.00 0.00 C ATOM 589 CD1 TYR A 38 2.937 1.168 13.139 1.00 0.00 C ATOM 590 CD2 TYR A 38 2.193 2.696 14.821 1.00 0.00 C ATOM 591 CE1 TYR A 38 3.398 0.266 14.162 1.00 0.00 C ATOM 592 CE2 TYR A 38 2.655 1.794 15.843 1.00 0.00 C ATOM 593 CZ TYR A 38 3.235 0.623 15.463 1.00 0.00 C ATOM 594 OH TYR A 38 3.671 -0.229 16.430 1.00 0.00 O ATOM 0 H TYR A 38 0.387 1.123 10.710 1.00 0.00 H new ATOM 0 HA TYR A 38 -0.145 2.424 12.488 1.00 0.00 H new ATOM 0 HB2 TYR A 38 2.606 3.381 11.616 1.00 0.00 H new ATOM 0 HB3 TYR A 38 1.759 4.322 12.828 1.00 0.00 H new ATOM 0 HD1 TYR A 38 3.055 0.909 12.097 1.00 0.00 H new ATOM 0 HD2 TYR A 38 1.729 3.632 15.096 1.00 0.00 H new ATOM 0 HE1 TYR A 38 3.863 -0.673 13.901 1.00 0.00 H new ATOM 0 HE2 TYR A 38 2.544 2.041 16.888 1.00 0.00 H new ATOM 0 HH TYR A 38 3.490 0.157 17.312 1.00 0.00 H new ATOM 604 N ASN A 39 0.513 4.946 10.466 1.00 0.00 N ATOM 605 CA ASN A 39 -0.038 6.172 9.917 1.00 0.00 C ATOM 606 C ASN A 39 -0.201 6.021 8.404 1.00 0.00 C ATOM 607 O ASN A 39 0.684 5.498 7.730 1.00 0.00 O ATOM 608 CB ASN A 39 0.893 7.359 10.176 1.00 0.00 C ATOM 609 CG ASN A 39 1.379 7.368 11.627 1.00 0.00 C ATOM 610 OD1 ASN A 39 1.889 6.388 12.144 1.00 0.00 O ATOM 611 ND2 ASN A 39 1.193 8.527 12.252 1.00 0.00 N ATOM 0 H ASN A 39 1.468 4.739 10.173 1.00 0.00 H new ATOM 0 HA ASN A 39 -0.998 6.355 10.399 1.00 0.00 H new ATOM 0 HB2 ASN A 39 1.749 7.309 9.502 1.00 0.00 H new ATOM 0 HB3 ASN A 39 0.370 8.290 9.958 1.00 0.00 H new ATOM 0 HD21 ASN A 39 1.484 8.635 13.224 1.00 0.00 H new ATOM 0 HD22 ASN A 39 0.759 9.308 11.760 1.00 0.00 H new ATOM 618 N THR A 40 -1.341 6.488 7.914 1.00 0.00 N ATOM 619 CA THR A 40 -1.630 6.411 6.492 1.00 0.00 C ATOM 620 C THR A 40 -1.552 7.800 5.857 1.00 0.00 C ATOM 621 O THR A 40 -2.442 8.193 5.102 1.00 0.00 O ATOM 622 CB THR A 40 -2.997 5.743 6.325 1.00 0.00 C ATOM 623 OG1 THR A 40 -3.216 5.748 4.917 1.00 0.00 O ATOM 624 CG2 THR A 40 -4.138 6.594 6.882 1.00 0.00 C ATOM 0 H THR A 40 -2.074 6.920 8.476 1.00 0.00 H new ATOM 0 HA THR A 40 -0.889 5.806 5.969 1.00 0.00 H new ATOM 0 HB THR A 40 -2.990 4.774 6.825 1.00 0.00 H new ATOM 0 HG1 THR A 40 -3.271 6.673 4.598 1.00 0.00 H new ATOM 0 HG21 THR A 40 -5.084 6.073 6.737 1.00 0.00 H new ATOM 0 HG22 THR A 40 -3.977 6.766 7.946 1.00 0.00 H new ATOM 0 HG23 THR A 40 -4.167 7.550 6.360 1.00 0.00 H new ATOM 632 N ARG A 41 -0.481 8.507 6.184 1.00 0.00 N ATOM 633 CA ARG A 41 -0.275 9.844 5.653 1.00 0.00 C ATOM 634 C ARG A 41 1.035 9.906 4.863 1.00 0.00 C ATOM 635 O ARG A 41 1.576 10.986 4.637 1.00 0.00 O ATOM 636 CB ARG A 41 -0.234 10.881 6.776 1.00 0.00 C ATOM 637 CG ARG A 41 -0.644 12.263 6.263 1.00 0.00 C ATOM 638 CD ARG A 41 -0.988 13.199 7.422 1.00 0.00 C ATOM 639 NE ARG A 41 0.251 13.771 7.996 1.00 0.00 N ATOM 640 CZ ARG A 41 0.946 13.208 8.993 1.00 0.00 C ATOM 641 NH1 ARG A 41 0.529 12.055 9.533 1.00 0.00 N ATOM 642 NH2 ARG A 41 2.059 13.798 9.450 1.00 0.00 N ATOM 0 H ARG A 41 0.254 8.179 6.811 1.00 0.00 H new ATOM 0 HA ARG A 41 -1.112 10.072 4.993 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -0.901 10.576 7.582 1.00 0.00 H new ATOM 0 HB3 ARG A 41 0.771 10.928 7.195 1.00 0.00 H new ATOM 0 HG2 ARG A 41 0.167 12.691 5.674 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -1.504 12.168 5.600 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -1.640 14.000 7.072 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -1.536 12.654 8.190 1.00 0.00 H new ATOM 0 HE ARG A 41 0.597 14.649 7.608 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -0.318 11.606 9.185 1.00 0.00 H new ATOM 0 HH12 ARG A 41 1.058 11.626 10.292 1.00 0.00 H new ATOM 0 HH21 ARG A 41 2.377 14.676 9.039 1.00 0.00 H new ATOM 0 HH22 ARG A 41 2.588 13.369 10.209 1.00 0.00 H new ATOM 656 N ALA A 42 1.504 8.733 4.466 1.00 0.00 N ATOM 657 CA ALA A 42 2.739 8.640 3.706 1.00 0.00 C ATOM 658 C ALA A 42 2.684 9.617 2.529 1.00 0.00 C ATOM 659 O ALA A 42 1.810 9.511 1.671 1.00 0.00 O ATOM 660 CB ALA A 42 2.953 7.194 3.253 1.00 0.00 C ATOM 0 H ALA A 42 1.051 7.839 4.656 1.00 0.00 H new ATOM 0 HA ALA A 42 3.592 8.917 4.326 1.00 0.00 H new ATOM 0 HB1 ALA A 42 3.879 7.125 2.683 1.00 0.00 H new ATOM 0 HB2 ALA A 42 3.015 6.545 4.126 1.00 0.00 H new ATOM 0 HB3 ALA A 42 2.117 6.881 2.627 1.00 0.00 H new ATOM 666 N THR A 43 3.628 10.547 2.529 1.00 0.00 N ATOM 667 CA THR A 43 3.697 11.541 1.472 1.00 0.00 C ATOM 668 C THR A 43 5.146 11.982 1.249 1.00 0.00 C ATOM 669 O THR A 43 5.856 12.298 2.202 1.00 0.00 O ATOM 670 CB THR A 43 2.763 12.693 1.845 1.00 0.00 C ATOM 671 OG1 THR A 43 2.992 12.890 3.239 1.00 0.00 O ATOM 672 CG2 THR A 43 1.287 12.300 1.764 1.00 0.00 C ATOM 0 H THR A 43 4.351 10.633 3.244 1.00 0.00 H new ATOM 0 HA THR A 43 3.365 11.129 0.519 1.00 0.00 H new ATOM 0 HB THR A 43 2.951 13.540 1.185 1.00 0.00 H new ATOM 0 HG1 THR A 43 2.397 12.306 3.754 1.00 0.00 H new ATOM 0 HG21 THR A 43 0.668 13.154 2.039 1.00 0.00 H new ATOM 0 HG22 THR A 43 1.048 11.991 0.746 1.00 0.00 H new ATOM 0 HG23 THR A 43 1.092 11.475 2.449 1.00 0.00 H new ATOM 680 N ASN A 44 5.540 11.989 -0.016 1.00 0.00 N ATOM 681 CA ASN A 44 6.891 12.385 -0.377 1.00 0.00 C ATOM 682 C ASN A 44 6.884 12.982 -1.785 1.00 0.00 C ATOM 683 O ASN A 44 6.811 12.252 -2.772 1.00 0.00 O ATOM 684 CB ASN A 44 7.836 11.182 -0.378 1.00 0.00 C ATOM 685 CG ASN A 44 9.108 11.483 0.417 1.00 0.00 C ATOM 686 OD1 ASN A 44 9.070 11.926 1.554 1.00 0.00 O ATOM 687 ND2 ASN A 44 10.233 11.218 -0.241 1.00 0.00 N ATOM 0 H ASN A 44 4.947 11.727 -0.804 1.00 0.00 H new ATOM 0 HA ASN A 44 7.236 13.114 0.357 1.00 0.00 H new ATOM 0 HB2 ASN A 44 7.330 10.317 0.052 1.00 0.00 H new ATOM 0 HB3 ASN A 44 8.097 10.921 -1.404 1.00 0.00 H new ATOM 0 HD21 ASN A 44 11.135 11.384 0.204 1.00 0.00 H new ATOM 0 HD22 ASN A 44 10.193 10.848 -1.191 1.00 0.00 H new ATOM 694 N TYR A 45 6.958 14.305 -1.833 1.00 0.00 N ATOM 695 CA TYR A 45 6.961 15.008 -3.104 1.00 0.00 C ATOM 696 C TYR A 45 8.384 15.145 -3.652 1.00 0.00 C ATOM 697 O TYR A 45 9.342 15.235 -2.885 1.00 0.00 O ATOM 698 CB TYR A 45 6.402 16.402 -2.816 1.00 0.00 C ATOM 699 CG TYR A 45 5.558 16.982 -3.953 1.00 0.00 C ATOM 700 CD1 TYR A 45 6.176 17.518 -5.065 1.00 0.00 C ATOM 701 CD2 TYR A 45 4.181 16.969 -3.866 1.00 0.00 C ATOM 702 CE1 TYR A 45 5.382 18.064 -6.136 1.00 0.00 C ATOM 703 CE2 TYR A 45 3.387 17.515 -4.937 1.00 0.00 C ATOM 704 CZ TYR A 45 4.027 18.035 -6.018 1.00 0.00 C ATOM 705 OH TYR A 45 3.278 18.551 -7.029 1.00 0.00 O ATOM 0 H TYR A 45 7.016 14.907 -1.012 1.00 0.00 H new ATOM 0 HA TYR A 45 6.372 14.466 -3.844 1.00 0.00 H new ATOM 0 HB2 TYR A 45 5.794 16.359 -1.912 1.00 0.00 H new ATOM 0 HB3 TYR A 45 7.231 17.079 -2.611 1.00 0.00 H new ATOM 0 HD1 TYR A 45 7.254 17.528 -5.132 1.00 0.00 H new ATOM 0 HD2 TYR A 45 3.699 16.550 -2.995 1.00 0.00 H new ATOM 0 HE1 TYR A 45 5.852 18.486 -7.012 1.00 0.00 H new ATOM 0 HE2 TYR A 45 2.308 17.511 -4.882 1.00 0.00 H new ATOM 0 HH TYR A 45 2.327 18.462 -6.810 1.00 0.00 H new ATOM 715 N ASN A 46 8.477 15.158 -4.973 1.00 0.00 N ATOM 716 CA ASN A 46 9.765 15.283 -5.632 1.00 0.00 C ATOM 717 C ASN A 46 9.552 15.720 -7.083 1.00 0.00 C ATOM 718 O ASN A 46 9.161 14.914 -7.926 1.00 0.00 O ATOM 719 CB ASN A 46 10.509 13.946 -5.645 1.00 0.00 C ATOM 720 CG ASN A 46 10.983 13.569 -4.240 1.00 0.00 C ATOM 721 OD1 ASN A 46 10.476 12.656 -3.611 1.00 0.00 O ATOM 722 ND2 ASN A 46 11.982 14.321 -3.786 1.00 0.00 N ATOM 0 H ASN A 46 7.680 15.084 -5.605 1.00 0.00 H new ATOM 0 HA ASN A 46 10.354 16.018 -5.084 1.00 0.00 H new ATOM 0 HB2 ASN A 46 9.855 13.165 -6.034 1.00 0.00 H new ATOM 0 HB3 ASN A 46 11.365 14.009 -6.317 1.00 0.00 H new ATOM 0 HD21 ASN A 46 12.370 14.148 -2.858 1.00 0.00 H new ATOM 0 HD22 ASN A 46 12.360 15.070 -4.365 1.00 0.00 H new ATOM 729 N ARG A 47 9.816 16.994 -7.329 1.00 0.00 N ATOM 730 CA ARG A 47 9.658 17.547 -8.663 1.00 0.00 C ATOM 731 C ARG A 47 10.867 17.194 -9.531 1.00 0.00 C ATOM 732 O ARG A 47 10.738 17.021 -10.742 1.00 0.00 O ATOM 733 CB ARG A 47 9.501 19.069 -8.613 1.00 0.00 C ATOM 734 CG ARG A 47 8.580 19.562 -9.731 1.00 0.00 C ATOM 735 CD ARG A 47 9.386 19.965 -10.968 1.00 0.00 C ATOM 736 NE ARG A 47 8.498 20.038 -12.149 1.00 0.00 N ATOM 737 CZ ARG A 47 8.805 20.684 -13.282 1.00 0.00 C ATOM 738 NH1 ARG A 47 9.980 21.318 -13.394 1.00 0.00 N ATOM 739 NH2 ARG A 47 7.936 20.697 -14.302 1.00 0.00 N ATOM 0 H ARG A 47 10.139 17.660 -6.627 1.00 0.00 H new ATOM 0 HA ARG A 47 8.757 17.114 -9.097 1.00 0.00 H new ATOM 0 HB2 ARG A 47 9.095 19.365 -7.646 1.00 0.00 H new ATOM 0 HB3 ARG A 47 10.478 19.542 -8.707 1.00 0.00 H new ATOM 0 HG2 ARG A 47 7.870 18.778 -9.995 1.00 0.00 H new ATOM 0 HG3 ARG A 47 7.998 20.413 -9.379 1.00 0.00 H new ATOM 0 HD2 ARG A 47 9.864 20.930 -10.802 1.00 0.00 H new ATOM 0 HD3 ARG A 47 10.182 19.242 -11.145 1.00 0.00 H new ATOM 0 HE ARG A 47 7.595 19.567 -12.097 1.00 0.00 H new ATOM 0 HH11 ARG A 47 10.641 21.309 -12.617 1.00 0.00 H new ATOM 0 HH12 ARG A 47 10.214 21.810 -14.256 1.00 0.00 H new ATOM 0 HH21 ARG A 47 7.041 20.215 -14.216 1.00 0.00 H new ATOM 0 HH22 ARG A 47 8.169 21.189 -15.165 1.00 0.00 H new ATOM 753 N GLY A 48 12.016 17.098 -8.879 1.00 0.00 N ATOM 754 CA GLY A 48 13.248 16.769 -9.575 1.00 0.00 C ATOM 755 C GLY A 48 12.996 15.733 -10.674 1.00 0.00 C ATOM 756 O GLY A 48 13.524 15.854 -11.778 1.00 0.00 O ATOM 0 H GLY A 48 12.120 17.243 -7.875 1.00 0.00 H new ATOM 0 HA2 GLY A 48 13.676 17.672 -10.012 1.00 0.00 H new ATOM 0 HA3 GLY A 48 13.979 16.381 -8.865 1.00 0.00 H new ATOM 760 N ASP A 49 12.191 14.738 -10.330 1.00 0.00 N ATOM 761 CA ASP A 49 11.864 13.682 -11.274 1.00 0.00 C ATOM 762 C ASP A 49 10.350 13.655 -11.497 1.00 0.00 C ATOM 763 O ASP A 49 9.777 12.599 -11.759 1.00 0.00 O ATOM 764 CB ASP A 49 12.288 12.314 -10.737 1.00 0.00 C ATOM 765 CG ASP A 49 13.127 11.473 -11.700 1.00 0.00 C ATOM 766 OD1 ASP A 49 13.961 12.080 -12.405 1.00 0.00 O ATOM 767 OD2 ASP A 49 12.915 10.241 -11.711 1.00 0.00 O ATOM 0 H ASP A 49 11.756 14.641 -9.412 1.00 0.00 H new ATOM 0 HA ASP A 49 12.394 13.884 -12.205 1.00 0.00 H new ATOM 0 HB2 ASP A 49 12.855 12.461 -9.818 1.00 0.00 H new ATOM 0 HB3 ASP A 49 11.393 11.751 -10.472 1.00 0.00 H new ATOM 772 N GLN A 50 9.746 14.829 -11.382 1.00 0.00 N ATOM 773 CA GLN A 50 8.310 14.953 -11.568 1.00 0.00 C ATOM 774 C GLN A 50 7.601 13.689 -11.076 1.00 0.00 C ATOM 775 O GLN A 50 6.846 13.068 -11.823 1.00 0.00 O ATOM 776 CB GLN A 50 7.969 15.239 -13.032 1.00 0.00 C ATOM 777 CG GLN A 50 6.546 15.785 -13.167 1.00 0.00 C ATOM 778 CD GLN A 50 6.556 17.303 -13.356 1.00 0.00 C ATOM 779 OE1 GLN A 50 7.429 17.869 -13.995 1.00 0.00 O ATOM 780 NE2 GLN A 50 5.541 17.929 -12.768 1.00 0.00 N ATOM 0 H GLN A 50 10.225 15.702 -11.162 1.00 0.00 H new ATOM 0 HA GLN A 50 7.958 15.798 -10.976 1.00 0.00 H new ATOM 0 HB2 GLN A 50 8.679 15.958 -13.441 1.00 0.00 H new ATOM 0 HB3 GLN A 50 8.069 14.325 -13.618 1.00 0.00 H new ATOM 0 HG2 GLN A 50 6.051 15.313 -14.015 1.00 0.00 H new ATOM 0 HG3 GLN A 50 5.969 15.530 -12.278 1.00 0.00 H new ATOM 0 HE21 GLN A 50 4.845 17.395 -12.248 1.00 0.00 H new ATOM 0 HE22 GLN A 50 5.459 18.943 -12.837 1.00 0.00 H new ATOM 789 N SER A 51 7.868 13.348 -9.825 1.00 0.00 N ATOM 790 CA SER A 51 7.264 12.170 -9.225 1.00 0.00 C ATOM 791 C SER A 51 7.017 12.410 -7.735 1.00 0.00 C ATOM 792 O SER A 51 7.745 13.169 -7.095 1.00 0.00 O ATOM 793 CB SER A 51 8.147 10.937 -9.425 1.00 0.00 C ATOM 794 OG SER A 51 9.294 10.959 -8.579 1.00 0.00 O ATOM 0 H SER A 51 8.495 13.866 -9.209 1.00 0.00 H new ATOM 0 HA SER A 51 6.310 11.985 -9.719 1.00 0.00 H new ATOM 0 HB2 SER A 51 7.565 10.038 -9.223 1.00 0.00 H new ATOM 0 HB3 SER A 51 8.465 10.884 -10.466 1.00 0.00 H new ATOM 0 HG SER A 51 9.831 10.154 -8.735 1.00 0.00 H new ATOM 800 N THR A 52 5.988 11.750 -7.224 1.00 0.00 N ATOM 801 CA THR A 52 5.635 11.883 -5.821 1.00 0.00 C ATOM 802 C THR A 52 5.344 10.510 -5.212 1.00 0.00 C ATOM 803 O THR A 52 4.966 9.579 -5.923 1.00 0.00 O ATOM 804 CB THR A 52 4.459 12.855 -5.718 1.00 0.00 C ATOM 805 OG1 THR A 52 4.969 14.075 -6.250 1.00 0.00 O ATOM 806 CG2 THR A 52 4.108 13.198 -4.269 1.00 0.00 C ATOM 0 H THR A 52 5.387 11.121 -7.757 1.00 0.00 H new ATOM 0 HA THR A 52 6.463 12.292 -5.242 1.00 0.00 H new ATOM 0 HB THR A 52 3.587 12.423 -6.210 1.00 0.00 H new ATOM 0 HG1 THR A 52 4.270 14.761 -6.223 1.00 0.00 H new ATOM 0 HG21 THR A 52 3.267 13.891 -4.253 1.00 0.00 H new ATOM 0 HG22 THR A 52 3.838 12.287 -3.735 1.00 0.00 H new ATOM 0 HG23 THR A 52 4.969 13.661 -3.786 1.00 0.00 H new ATOM 814 N ASP A 53 5.530 10.426 -3.904 1.00 0.00 N ATOM 815 CA ASP A 53 5.292 9.182 -3.191 1.00 0.00 C ATOM 816 C ASP A 53 4.287 9.429 -2.064 1.00 0.00 C ATOM 817 O ASP A 53 4.654 9.921 -0.998 1.00 0.00 O ATOM 818 CB ASP A 53 6.583 8.649 -2.566 1.00 0.00 C ATOM 819 CG ASP A 53 7.791 8.622 -3.503 1.00 0.00 C ATOM 820 OD1 ASP A 53 8.121 9.703 -4.035 1.00 0.00 O ATOM 821 OD2 ASP A 53 8.358 7.520 -3.667 1.00 0.00 O ATOM 0 H ASP A 53 5.843 11.200 -3.318 1.00 0.00 H new ATOM 0 HA ASP A 53 4.910 8.452 -3.905 1.00 0.00 H new ATOM 0 HB2 ASP A 53 6.829 9.261 -1.698 1.00 0.00 H new ATOM 0 HB3 ASP A 53 6.402 7.638 -2.202 1.00 0.00 H new ATOM 826 N TYR A 54 3.040 9.076 -2.338 1.00 0.00 N ATOM 827 CA TYR A 54 1.981 9.254 -1.360 1.00 0.00 C ATOM 828 C TYR A 54 1.229 7.942 -1.120 1.00 0.00 C ATOM 829 O TYR A 54 1.258 7.044 -1.961 1.00 0.00 O ATOM 830 CB TYR A 54 1.016 10.277 -1.964 1.00 0.00 C ATOM 831 CG TYR A 54 1.305 11.722 -1.554 1.00 0.00 C ATOM 832 CD1 TYR A 54 2.576 12.240 -1.702 1.00 0.00 C ATOM 833 CD2 TYR A 54 0.296 12.508 -1.037 1.00 0.00 C ATOM 834 CE1 TYR A 54 2.848 13.600 -1.316 1.00 0.00 C ATOM 835 CE2 TYR A 54 0.568 13.868 -0.652 1.00 0.00 C ATOM 836 CZ TYR A 54 1.831 14.348 -0.811 1.00 0.00 C ATOM 837 OH TYR A 54 2.088 15.633 -0.447 1.00 0.00 O ATOM 0 H TYR A 54 2.739 8.668 -3.223 1.00 0.00 H new ATOM 0 HA TYR A 54 2.392 9.580 -0.405 1.00 0.00 H new ATOM 0 HB2 TYR A 54 1.058 10.203 -3.051 1.00 0.00 H new ATOM 0 HB3 TYR A 54 -0.001 10.022 -1.666 1.00 0.00 H new ATOM 0 HD1 TYR A 54 3.366 11.625 -2.107 1.00 0.00 H new ATOM 0 HD2 TYR A 54 -0.698 12.103 -0.921 1.00 0.00 H new ATOM 0 HE1 TYR A 54 3.838 14.017 -1.425 1.00 0.00 H new ATOM 0 HE2 TYR A 54 -0.213 14.493 -0.246 1.00 0.00 H new ATOM 0 HH TYR A 54 1.268 16.046 -0.104 1.00 0.00 H new ATOM 847 N GLY A 55 0.575 7.873 0.029 1.00 0.00 N ATOM 848 CA GLY A 55 -0.182 6.687 0.390 1.00 0.00 C ATOM 849 C GLY A 55 0.588 5.830 1.397 1.00 0.00 C ATOM 850 O GLY A 55 1.815 5.763 1.350 1.00 0.00 O ATOM 0 H GLY A 55 0.553 8.620 0.723 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -1.142 6.980 0.815 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -0.395 6.101 -0.504 1.00 0.00 H new ATOM 854 N ILE A 56 -0.164 5.196 2.284 1.00 0.00 N ATOM 855 CA ILE A 56 0.432 4.346 3.300 1.00 0.00 C ATOM 856 C ILE A 56 1.343 3.316 2.628 1.00 0.00 C ATOM 857 O ILE A 56 2.358 2.917 3.196 1.00 0.00 O ATOM 858 CB ILE A 56 -0.653 3.724 4.183 1.00 0.00 C ATOM 859 CG1 ILE A 56 -0.067 3.237 5.510 1.00 0.00 C ATOM 860 CG2 ILE A 56 -1.392 2.611 3.439 1.00 0.00 C ATOM 861 CD1 ILE A 56 -1.170 3.018 6.547 1.00 0.00 C ATOM 0 H ILE A 56 -1.182 5.254 2.320 1.00 0.00 H new ATOM 0 HA ILE A 56 1.057 4.936 3.970 1.00 0.00 H new ATOM 0 HB ILE A 56 -1.386 4.495 4.419 1.00 0.00 H new ATOM 0 HG12 ILE A 56 0.478 2.307 5.352 1.00 0.00 H new ATOM 0 HG13 ILE A 56 0.650 3.967 5.885 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -2.157 2.186 4.088 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -1.861 3.021 2.545 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -0.685 1.832 3.153 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -0.728 2.672 7.481 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -1.697 3.956 6.721 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -1.872 2.270 6.179 1.00 0.00 H new ATOM 873 N PHE A 57 0.946 2.916 1.429 1.00 0.00 N ATOM 874 CA PHE A 57 1.715 1.942 0.673 1.00 0.00 C ATOM 875 C PHE A 57 2.764 2.629 -0.203 1.00 0.00 C ATOM 876 O PHE A 57 3.232 2.053 -1.183 1.00 0.00 O ATOM 877 CB PHE A 57 0.728 1.193 -0.224 1.00 0.00 C ATOM 878 CG PHE A 57 -0.095 0.130 0.506 1.00 0.00 C ATOM 879 CD1 PHE A 57 0.528 -0.926 1.095 1.00 0.00 C ATOM 880 CD2 PHE A 57 -1.449 0.241 0.567 1.00 0.00 C ATOM 881 CE1 PHE A 57 -0.236 -1.913 1.772 1.00 0.00 C ATOM 882 CE2 PHE A 57 -2.213 -0.746 1.245 1.00 0.00 C ATOM 883 CZ PHE A 57 -1.590 -1.802 1.833 1.00 0.00 C ATOM 0 H PHE A 57 0.102 3.249 0.962 1.00 0.00 H new ATOM 0 HA PHE A 57 2.236 1.270 1.355 1.00 0.00 H new ATOM 0 HB2 PHE A 57 0.049 1.913 -0.680 1.00 0.00 H new ATOM 0 HB3 PHE A 57 1.279 0.717 -1.035 1.00 0.00 H new ATOM 0 HD1 PHE A 57 1.603 -1.014 1.048 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -1.944 1.080 0.100 1.00 0.00 H new ATOM 0 HE1 PHE A 57 0.258 -2.752 2.239 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -3.288 -0.658 1.293 1.00 0.00 H new ATOM 0 HZ PHE A 57 -2.171 -2.553 2.349 1.00 0.00 H new ATOM 893 N GLN A 58 3.099 3.852 0.181 1.00 0.00 N ATOM 894 CA GLN A 58 4.083 4.625 -0.559 1.00 0.00 C ATOM 895 C GLN A 58 3.884 4.437 -2.064 1.00 0.00 C ATOM 896 O GLN A 58 4.726 3.841 -2.734 1.00 0.00 O ATOM 897 CB GLN A 58 5.505 4.244 -0.141 1.00 0.00 C ATOM 898 CG GLN A 58 6.451 5.440 -0.263 1.00 0.00 C ATOM 899 CD GLN A 58 6.771 6.028 1.114 1.00 0.00 C ATOM 900 OE1 GLN A 58 7.438 5.421 1.936 1.00 0.00 O ATOM 901 NE2 GLN A 58 6.261 7.238 1.318 1.00 0.00 N ATOM 0 H GLN A 58 2.707 4.327 0.994 1.00 0.00 H new ATOM 0 HA GLN A 58 3.940 5.680 -0.324 1.00 0.00 H new ATOM 0 HB2 GLN A 58 5.501 3.882 0.887 1.00 0.00 H new ATOM 0 HB3 GLN A 58 5.865 3.426 -0.765 1.00 0.00 H new ATOM 0 HG2 GLN A 58 7.374 5.130 -0.754 1.00 0.00 H new ATOM 0 HG3 GLN A 58 5.997 6.205 -0.893 1.00 0.00 H new ATOM 0 HE21 GLN A 58 5.712 7.690 0.587 1.00 0.00 H new ATOM 0 HE22 GLN A 58 6.419 7.715 2.206 1.00 0.00 H new ATOM 910 N ILE A 59 2.766 4.956 -2.549 1.00 0.00 N ATOM 911 CA ILE A 59 2.446 4.853 -3.964 1.00 0.00 C ATOM 912 C ILE A 59 3.020 6.062 -4.702 1.00 0.00 C ATOM 913 O ILE A 59 2.863 7.198 -4.257 1.00 0.00 O ATOM 914 CB ILE A 59 0.940 4.671 -4.160 1.00 0.00 C ATOM 915 CG1 ILE A 59 0.501 3.259 -3.760 1.00 0.00 C ATOM 916 CG2 ILE A 59 0.528 5.016 -5.592 1.00 0.00 C ATOM 917 CD1 ILE A 59 -1.021 3.122 -3.818 1.00 0.00 C ATOM 0 H ILE A 59 2.071 5.449 -1.989 1.00 0.00 H new ATOM 0 HA ILE A 59 2.910 3.966 -4.396 1.00 0.00 H new ATOM 0 HB ILE A 59 0.423 5.367 -3.500 1.00 0.00 H new ATOM 0 HG12 ILE A 59 0.961 2.529 -4.426 1.00 0.00 H new ATOM 0 HG13 ILE A 59 0.852 3.037 -2.752 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -0.547 4.878 -5.704 1.00 0.00 H new ATOM 0 HG22 ILE A 59 0.785 6.054 -5.805 1.00 0.00 H new ATOM 0 HG23 ILE A 59 1.052 4.362 -6.289 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -1.307 2.110 -3.530 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -1.477 3.837 -3.133 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -1.366 3.321 -4.833 1.00 0.00 H new ATOM 929 N ASN A 60 3.675 5.778 -5.818 1.00 0.00 N ATOM 930 CA ASN A 60 4.274 6.830 -6.622 1.00 0.00 C ATOM 931 C ASN A 60 3.182 7.532 -7.431 1.00 0.00 C ATOM 932 O ASN A 60 2.339 6.877 -8.043 1.00 0.00 O ATOM 933 CB ASN A 60 5.297 6.256 -7.606 1.00 0.00 C ATOM 934 CG ASN A 60 6.525 7.162 -7.711 1.00 0.00 C ATOM 935 OD1 ASN A 60 6.452 8.302 -8.142 1.00 0.00 O ATOM 936 ND2 ASN A 60 7.653 6.594 -7.296 1.00 0.00 N ATOM 0 H ASN A 60 3.804 4.835 -6.184 1.00 0.00 H new ATOM 0 HA ASN A 60 4.773 7.527 -5.949 1.00 0.00 H new ATOM 0 HB2 ASN A 60 5.601 5.261 -7.281 1.00 0.00 H new ATOM 0 HB3 ASN A 60 4.839 6.144 -8.588 1.00 0.00 H new ATOM 0 HD21 ASN A 60 8.528 7.117 -7.327 1.00 0.00 H new ATOM 0 HD22 ASN A 60 7.643 5.636 -6.947 1.00 0.00 H new ATOM 943 N SER A 61 3.233 8.856 -7.410 1.00 0.00 N ATOM 944 CA SER A 61 2.258 9.654 -8.133 1.00 0.00 C ATOM 945 C SER A 61 2.761 9.937 -9.550 1.00 0.00 C ATOM 946 O SER A 61 2.131 10.683 -10.299 1.00 0.00 O ATOM 947 CB SER A 61 1.968 10.966 -7.401 1.00 0.00 C ATOM 948 OG SER A 61 2.156 10.846 -5.994 1.00 0.00 O ATOM 0 H SER A 61 3.935 9.396 -6.903 1.00 0.00 H new ATOM 0 HA SER A 61 1.328 9.088 -8.190 1.00 0.00 H new ATOM 0 HB2 SER A 61 2.620 11.749 -7.788 1.00 0.00 H new ATOM 0 HB3 SER A 61 0.943 11.276 -7.605 1.00 0.00 H new ATOM 0 HG SER A 61 1.283 10.802 -5.550 1.00 0.00 H new ATOM 954 N ARG A 62 3.890 9.325 -9.876 1.00 0.00 N ATOM 955 CA ARG A 62 4.485 9.502 -11.189 1.00 0.00 C ATOM 956 C ARG A 62 3.985 8.419 -12.148 1.00 0.00 C ATOM 957 O ARG A 62 4.056 8.582 -13.365 1.00 0.00 O ATOM 958 CB ARG A 62 6.013 9.441 -11.115 1.00 0.00 C ATOM 959 CG ARG A 62 6.604 8.902 -12.419 1.00 0.00 C ATOM 960 CD ARG A 62 8.108 9.175 -12.493 1.00 0.00 C ATOM 961 NE ARG A 62 8.658 8.639 -13.758 1.00 0.00 N ATOM 962 CZ ARG A 62 9.964 8.443 -13.986 1.00 0.00 C ATOM 963 NH1 ARG A 62 10.861 8.737 -13.036 1.00 0.00 N ATOM 964 NH2 ARG A 62 10.371 7.953 -15.165 1.00 0.00 N ATOM 0 H ARG A 62 4.408 8.706 -9.253 1.00 0.00 H new ATOM 0 HA ARG A 62 4.189 10.484 -11.557 1.00 0.00 H new ATOM 0 HB2 ARG A 62 6.411 10.436 -10.915 1.00 0.00 H new ATOM 0 HB3 ARG A 62 6.315 8.804 -10.284 1.00 0.00 H new ATOM 0 HG2 ARG A 62 6.421 7.830 -12.489 1.00 0.00 H new ATOM 0 HG3 ARG A 62 6.104 9.367 -13.269 1.00 0.00 H new ATOM 0 HD2 ARG A 62 8.295 10.247 -12.431 1.00 0.00 H new ATOM 0 HD3 ARG A 62 8.612 8.714 -11.644 1.00 0.00 H new ATOM 0 HE ARG A 62 8.002 8.404 -14.503 1.00 0.00 H new ATOM 0 HH11 ARG A 62 10.550 9.110 -12.139 1.00 0.00 H new ATOM 0 HH12 ARG A 62 11.855 8.588 -13.209 1.00 0.00 H new ATOM 0 HH21 ARG A 62 9.687 7.730 -15.888 1.00 0.00 H new ATOM 0 HH22 ARG A 62 11.365 7.804 -15.339 1.00 0.00 H new ATOM 978 N TYR A 63 3.491 7.337 -11.563 1.00 0.00 N ATOM 979 CA TYR A 63 2.979 6.229 -12.350 1.00 0.00 C ATOM 980 C TYR A 63 1.521 5.931 -11.995 1.00 0.00 C ATOM 981 O TYR A 63 0.677 5.800 -12.880 1.00 0.00 O ATOM 982 CB TYR A 63 3.839 5.018 -11.981 1.00 0.00 C ATOM 983 CG TYR A 63 4.766 4.547 -13.104 1.00 0.00 C ATOM 984 CD1 TYR A 63 4.269 3.769 -14.129 1.00 0.00 C ATOM 985 CD2 TYR A 63 6.100 4.901 -13.091 1.00 0.00 C ATOM 986 CE1 TYR A 63 5.141 3.326 -15.185 1.00 0.00 C ATOM 987 CE2 TYR A 63 6.973 4.458 -14.147 1.00 0.00 C ATOM 988 CZ TYR A 63 6.450 3.693 -15.142 1.00 0.00 C ATOM 989 OH TYR A 63 7.274 3.274 -16.141 1.00 0.00 O ATOM 0 H TYR A 63 3.435 7.205 -10.553 1.00 0.00 H new ATOM 0 HA TYR A 63 3.019 6.463 -13.414 1.00 0.00 H new ATOM 0 HB2 TYR A 63 4.441 5.266 -11.107 1.00 0.00 H new ATOM 0 HB3 TYR A 63 3.185 4.195 -11.694 1.00 0.00 H new ATOM 0 HD1 TYR A 63 3.225 3.492 -14.139 1.00 0.00 H new ATOM 0 HD2 TYR A 63 6.489 5.510 -12.289 1.00 0.00 H new ATOM 0 HE1 TYR A 63 4.765 2.716 -15.993 1.00 0.00 H new ATOM 0 HE2 TYR A 63 8.019 4.727 -14.149 1.00 0.00 H new ATOM 0 HH TYR A 63 8.180 3.612 -15.981 1.00 0.00 H new ATOM 999 N TRP A 64 1.269 5.833 -10.698 1.00 0.00 N ATOM 1000 CA TRP A 64 -0.072 5.554 -10.215 1.00 0.00 C ATOM 1001 C TRP A 64 -0.597 6.812 -9.522 1.00 0.00 C ATOM 1002 O TRP A 64 0.184 7.629 -9.037 1.00 0.00 O ATOM 1003 CB TRP A 64 -0.083 4.323 -9.307 1.00 0.00 C ATOM 1004 CG TRP A 64 0.626 3.104 -9.901 1.00 0.00 C ATOM 1005 CD1 TRP A 64 0.129 2.196 -10.752 1.00 0.00 C ATOM 1006 CD2 TRP A 64 1.988 2.695 -9.655 1.00 0.00 C ATOM 1007 NE1 TRP A 64 1.066 1.234 -11.070 1.00 0.00 N ATOM 1008 CE2 TRP A 64 2.233 1.548 -10.382 1.00 0.00 C ATOM 1009 CE3 TRP A 64 2.978 3.275 -8.845 1.00 0.00 C ATOM 1010 CZ2 TRP A 64 3.465 0.882 -10.372 1.00 0.00 C ATOM 1011 CZ3 TRP A 64 4.205 2.598 -8.845 1.00 0.00 C ATOM 1012 CH2 TRP A 64 4.467 1.443 -9.571 1.00 0.00 C ATOM 0 H TRP A 64 1.972 5.942 -9.967 1.00 0.00 H new ATOM 0 HA TRP A 64 -0.737 5.310 -11.044 1.00 0.00 H new ATOM 0 HB2 TRP A 64 0.390 4.579 -8.359 1.00 0.00 H new ATOM 0 HB3 TRP A 64 -1.117 4.057 -9.086 1.00 0.00 H new ATOM 0 HD1 TRP A 64 -0.879 2.215 -11.140 1.00 0.00 H new ATOM 0 HE1 TRP A 64 0.928 0.439 -11.694 1.00 0.00 H new ATOM 0 HE3 TRP A 64 2.807 4.172 -8.268 1.00 0.00 H new ATOM 0 HZ2 TRP A 64 3.633 -0.015 -10.950 1.00 0.00 H new ATOM 0 HZ3 TRP A 64 5.002 3.002 -8.239 1.00 0.00 H new ATOM 0 HH2 TRP A 64 5.441 0.979 -9.518 1.00 0.00 H new ATOM 1023 N CYS A 65 -1.917 6.930 -9.498 1.00 0.00 N ATOM 1024 CA CYS A 65 -2.555 8.075 -8.872 1.00 0.00 C ATOM 1025 C CYS A 65 -1.997 9.346 -9.515 1.00 0.00 C ATOM 1026 O CYS A 65 -0.995 9.298 -10.226 1.00 0.00 O ATOM 1027 CB CYS A 65 -2.362 8.071 -7.355 1.00 0.00 C ATOM 1028 SG CYS A 65 -0.873 8.958 -6.768 1.00 0.00 S ATOM 0 H CYS A 65 -2.562 6.251 -9.902 1.00 0.00 H new ATOM 0 HA CYS A 65 -3.632 8.029 -9.035 1.00 0.00 H new ATOM 0 HB2 CYS A 65 -3.241 8.518 -6.890 1.00 0.00 H new ATOM 0 HB3 CYS A 65 -2.311 7.038 -7.012 1.00 0.00 H new ATOM 1033 N ASN A 66 -2.671 10.454 -9.242 1.00 0.00 N ATOM 1034 CA ASN A 66 -2.255 11.736 -9.785 1.00 0.00 C ATOM 1035 C ASN A 66 -2.848 12.861 -8.935 1.00 0.00 C ATOM 1036 O ASN A 66 -3.365 12.615 -7.846 1.00 0.00 O ATOM 1037 CB ASN A 66 -2.754 11.914 -11.221 1.00 0.00 C ATOM 1038 CG ASN A 66 -1.741 12.695 -12.060 1.00 0.00 C ATOM 1039 OD1 ASN A 66 -0.540 12.502 -11.969 1.00 0.00 O ATOM 1040 ND2 ASN A 66 -2.291 13.588 -12.879 1.00 0.00 N ATOM 0 H ASN A 66 -3.502 10.490 -8.652 1.00 0.00 H new ATOM 0 HA ASN A 66 -1.166 11.769 -9.775 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -2.930 10.938 -11.672 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -3.709 12.439 -11.216 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -1.699 14.161 -13.480 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -3.305 13.699 -12.906 1.00 0.00 H new ATOM 1047 N ASP A 67 -2.754 14.072 -9.465 1.00 0.00 N ATOM 1048 CA ASP A 67 -3.275 15.237 -8.769 1.00 0.00 C ATOM 1049 C ASP A 67 -4.312 15.933 -9.653 1.00 0.00 C ATOM 1050 O ASP A 67 -5.435 16.183 -9.218 1.00 0.00 O ATOM 1051 CB ASP A 67 -2.161 16.241 -8.466 1.00 0.00 C ATOM 1052 CG ASP A 67 -2.637 17.664 -8.171 1.00 0.00 C ATOM 1053 OD1 ASP A 67 -3.847 17.812 -7.889 1.00 0.00 O ATOM 1054 OD2 ASP A 67 -1.781 18.574 -8.235 1.00 0.00 O ATOM 0 H ASP A 67 -2.325 14.272 -10.368 1.00 0.00 H new ATOM 0 HA ASP A 67 -3.721 14.899 -7.833 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -1.590 15.880 -7.611 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -1.478 16.271 -9.315 1.00 0.00 H new ATOM 1059 N GLY A 68 -3.898 16.226 -10.877 1.00 0.00 N ATOM 1060 CA GLY A 68 -4.776 16.887 -11.826 1.00 0.00 C ATOM 1061 C GLY A 68 -4.214 18.251 -12.235 1.00 0.00 C ATOM 1062 O GLY A 68 -4.832 18.971 -13.017 1.00 0.00 O ATOM 0 H GLY A 68 -2.965 16.017 -11.233 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -4.900 16.261 -12.710 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -5.764 17.014 -11.385 1.00 0.00 H new ATOM 1066 N LYS A 69 -3.050 18.562 -11.687 1.00 0.00 N ATOM 1067 CA LYS A 69 -2.397 19.826 -11.986 1.00 0.00 C ATOM 1068 C LYS A 69 -1.274 19.589 -12.997 1.00 0.00 C ATOM 1069 O LYS A 69 -0.796 20.528 -13.632 1.00 0.00 O ATOM 1070 CB LYS A 69 -1.930 20.505 -10.698 1.00 0.00 C ATOM 1071 CG LYS A 69 -1.601 21.979 -10.942 1.00 0.00 C ATOM 1072 CD LYS A 69 -1.737 22.794 -9.654 1.00 0.00 C ATOM 1073 CE LYS A 69 -3.208 22.980 -9.276 1.00 0.00 C ATOM 1074 NZ LYS A 69 -3.325 23.723 -8.001 1.00 0.00 N ATOM 0 H LYS A 69 -2.541 17.962 -11.038 1.00 0.00 H new ATOM 0 HA LYS A 69 -3.101 20.518 -12.448 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -2.707 20.423 -9.938 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -1.050 19.992 -10.311 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -0.585 22.069 -11.328 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -2.268 22.383 -11.704 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -1.210 22.290 -8.843 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -1.265 23.768 -9.784 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -3.728 23.520 -10.068 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -3.692 22.008 -9.183 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -4.330 23.841 -7.759 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -2.846 23.193 -7.245 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -2.881 24.658 -8.102 1.00 0.00 H new ATOM 1088 N THR A 70 -0.884 18.327 -13.116 1.00 0.00 N ATOM 1089 CA THR A 70 0.175 17.955 -14.039 1.00 0.00 C ATOM 1090 C THR A 70 -0.317 16.876 -15.006 1.00 0.00 C ATOM 1091 O THR A 70 -0.206 15.685 -14.720 1.00 0.00 O ATOM 1092 CB THR A 70 1.391 17.526 -13.216 1.00 0.00 C ATOM 1093 OG1 THR A 70 1.964 18.754 -12.778 1.00 0.00 O ATOM 1094 CG2 THR A 70 2.485 16.890 -14.075 1.00 0.00 C ATOM 0 H THR A 70 -1.283 17.550 -12.589 1.00 0.00 H new ATOM 0 HA THR A 70 0.470 18.798 -14.664 1.00 0.00 H new ATOM 0 HB THR A 70 1.078 16.820 -12.447 1.00 0.00 H new ATOM 0 HG1 THR A 70 2.758 18.569 -12.235 1.00 0.00 H new ATOM 0 HG21 THR A 70 3.325 16.604 -13.442 1.00 0.00 H new ATOM 0 HG22 THR A 70 2.088 16.005 -14.573 1.00 0.00 H new ATOM 0 HG23 THR A 70 2.823 17.607 -14.823 1.00 0.00 H new ATOM 1102 N PRO A 71 -0.862 17.344 -16.161 1.00 0.00 N ATOM 1103 CA PRO A 71 -1.372 16.432 -17.171 1.00 0.00 C ATOM 1104 C PRO A 71 -0.225 15.771 -17.940 1.00 0.00 C ATOM 1105 O PRO A 71 -0.025 16.047 -19.121 1.00 0.00 O ATOM 1106 CB PRO A 71 -2.266 17.284 -18.055 1.00 0.00 C ATOM 1107 CG PRO A 71 -1.862 18.726 -17.791 1.00 0.00 C ATOM 1108 CD PRO A 71 -1.009 18.747 -16.533 1.00 0.00 C ATOM 0 HA PRO A 71 -1.933 15.601 -16.744 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -2.134 17.028 -19.106 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -3.318 17.123 -17.817 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -1.304 19.127 -18.637 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -2.745 19.353 -17.664 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -0.040 19.211 -16.719 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -1.489 19.319 -15.739 1.00 0.00 H new ATOM 1116 N ARG A 72 0.498 14.911 -17.237 1.00 0.00 N ATOM 1117 CA ARG A 72 1.619 14.209 -17.839 1.00 0.00 C ATOM 1118 C ARG A 72 1.728 12.795 -17.265 1.00 0.00 C ATOM 1119 O ARG A 72 1.823 11.823 -18.014 1.00 0.00 O ATOM 1120 CB ARG A 72 2.932 14.955 -17.594 1.00 0.00 C ATOM 1121 CG ARG A 72 4.100 14.249 -18.285 1.00 0.00 C ATOM 1122 CD ARG A 72 5.253 15.221 -18.542 1.00 0.00 C ATOM 1123 NE ARG A 72 6.004 14.809 -19.749 1.00 0.00 N ATOM 1124 CZ ARG A 72 7.146 15.380 -20.155 1.00 0.00 C ATOM 1125 NH1 ARG A 72 7.675 16.391 -19.454 1.00 0.00 N ATOM 1126 NH2 ARG A 72 7.758 14.940 -21.263 1.00 0.00 N ATOM 0 H ARG A 72 0.329 14.685 -16.257 1.00 0.00 H new ATOM 0 HA ARG A 72 1.440 14.156 -18.913 1.00 0.00 H new ATOM 0 HB2 ARG A 72 2.849 15.977 -17.965 1.00 0.00 H new ATOM 0 HB3 ARG A 72 3.124 15.020 -16.523 1.00 0.00 H new ATOM 0 HG2 ARG A 72 4.448 13.422 -17.666 1.00 0.00 H new ATOM 0 HG3 ARG A 72 3.764 13.820 -19.229 1.00 0.00 H new ATOM 0 HD2 ARG A 72 4.865 16.231 -18.672 1.00 0.00 H new ATOM 0 HD3 ARG A 72 5.919 15.244 -17.680 1.00 0.00 H new ATOM 0 HE ARG A 72 5.628 14.042 -20.307 1.00 0.00 H new ATOM 0 HH11 ARG A 72 7.209 16.726 -18.611 1.00 0.00 H new ATOM 0 HH12 ARG A 72 8.544 16.826 -19.763 1.00 0.00 H new ATOM 0 HH21 ARG A 72 7.354 14.170 -21.797 1.00 0.00 H new ATOM 0 HH22 ARG A 72 8.627 15.375 -21.572 1.00 0.00 H new ATOM 1140 N ALA A 73 1.713 12.724 -15.942 1.00 0.00 N ATOM 1141 CA ALA A 73 1.809 11.446 -15.260 1.00 0.00 C ATOM 1142 C ALA A 73 0.922 10.422 -15.974 1.00 0.00 C ATOM 1143 O ALA A 73 0.061 10.792 -16.770 1.00 0.00 O ATOM 1144 CB ALA A 73 1.427 11.621 -13.789 1.00 0.00 C ATOM 0 H ALA A 73 1.636 13.532 -15.324 1.00 0.00 H new ATOM 0 HA ALA A 73 2.833 11.073 -15.289 1.00 0.00 H new ATOM 0 HB1 ALA A 73 1.499 10.661 -13.278 1.00 0.00 H new ATOM 0 HB2 ALA A 73 2.105 12.334 -13.320 1.00 0.00 H new ATOM 0 HB3 ALA A 73 0.405 11.993 -13.720 1.00 0.00 H new ATOM 1150 N VAL A 74 1.165 9.157 -15.664 1.00 0.00 N ATOM 1151 CA VAL A 74 0.400 8.079 -16.266 1.00 0.00 C ATOM 1152 C VAL A 74 -0.313 7.290 -15.166 1.00 0.00 C ATOM 1153 O VAL A 74 -0.178 6.069 -15.086 1.00 0.00 O ATOM 1154 CB VAL A 74 1.314 7.209 -17.131 1.00 0.00 C ATOM 1155 CG1 VAL A 74 2.386 6.525 -16.279 1.00 0.00 C ATOM 1156 CG2 VAL A 74 0.503 6.179 -17.920 1.00 0.00 C ATOM 0 H VAL A 74 1.881 8.855 -15.004 1.00 0.00 H new ATOM 0 HA VAL A 74 -0.368 8.478 -16.929 1.00 0.00 H new ATOM 0 HB VAL A 74 1.818 7.859 -17.846 1.00 0.00 H new ATOM 0 HG11 VAL A 74 3.022 5.913 -16.918 1.00 0.00 H new ATOM 0 HG12 VAL A 74 2.992 7.282 -15.781 1.00 0.00 H new ATOM 0 HG13 VAL A 74 1.908 5.893 -15.531 1.00 0.00 H new ATOM 0 HG21 VAL A 74 1.176 5.573 -18.527 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -0.040 5.535 -17.228 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -0.206 6.694 -18.568 1.00 0.00 H new ATOM 1166 N ASN A 75 -1.056 8.017 -14.345 1.00 0.00 N ATOM 1167 CA ASN A 75 -1.790 7.400 -13.254 1.00 0.00 C ATOM 1168 C ASN A 75 -2.597 6.218 -13.793 1.00 0.00 C ATOM 1169 O ASN A 75 -3.697 6.398 -14.313 1.00 0.00 O ATOM 1170 CB ASN A 75 -2.768 8.391 -12.620 1.00 0.00 C ATOM 1171 CG ASN A 75 -3.638 9.061 -13.684 1.00 0.00 C ATOM 1172 OD1 ASN A 75 -3.506 8.821 -14.873 1.00 0.00 O ATOM 1173 ND2 ASN A 75 -4.532 9.916 -13.194 1.00 0.00 N ATOM 0 H ASN A 75 -1.165 9.029 -14.414 1.00 0.00 H new ATOM 0 HA ASN A 75 -1.070 7.074 -12.504 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -3.402 7.872 -11.901 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -2.215 9.150 -12.067 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -5.159 10.416 -13.825 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -4.591 10.071 -12.188 1.00 0.00 H new ATOM 1180 N ALA A 76 -2.019 5.034 -13.649 1.00 0.00 N ATOM 1181 CA ALA A 76 -2.671 3.822 -14.115 1.00 0.00 C ATOM 1182 C ALA A 76 -3.916 3.558 -13.264 1.00 0.00 C ATOM 1183 O ALA A 76 -4.746 2.721 -13.615 1.00 0.00 O ATOM 1184 CB ALA A 76 -1.678 2.658 -14.071 1.00 0.00 C ATOM 0 H ALA A 76 -1.107 4.889 -13.216 1.00 0.00 H new ATOM 0 HA ALA A 76 -2.996 3.935 -15.149 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -2.167 1.749 -14.421 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -0.826 2.882 -14.713 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -1.332 2.513 -13.047 1.00 0.00 H new ATOM 1190 N CYS A 77 -4.006 4.288 -12.162 1.00 0.00 N ATOM 1191 CA CYS A 77 -5.135 4.143 -11.259 1.00 0.00 C ATOM 1192 C CYS A 77 -6.223 5.129 -11.689 1.00 0.00 C ATOM 1193 O CYS A 77 -7.411 4.818 -11.615 1.00 0.00 O ATOM 1194 CB CYS A 77 -4.722 4.350 -9.801 1.00 0.00 C ATOM 1195 SG CYS A 77 -5.762 3.472 -8.577 1.00 0.00 S ATOM 0 H CYS A 77 -3.316 4.981 -11.874 1.00 0.00 H new ATOM 0 HA CYS A 77 -5.523 3.126 -11.318 1.00 0.00 H new ATOM 0 HB2 CYS A 77 -3.689 4.023 -9.681 1.00 0.00 H new ATOM 0 HB3 CYS A 77 -4.746 5.417 -9.579 1.00 0.00 H new ATOM 1200 N GLY A 78 -5.779 6.297 -12.129 1.00 0.00 N ATOM 1201 CA GLY A 78 -6.700 7.330 -12.572 1.00 0.00 C ATOM 1202 C GLY A 78 -7.544 7.848 -11.405 1.00 0.00 C ATOM 1203 O GLY A 78 -8.772 7.827 -11.465 1.00 0.00 O ATOM 0 H GLY A 78 -4.793 6.551 -12.188 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -6.142 8.154 -13.016 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -7.352 6.932 -13.349 1.00 0.00 H new ATOM 1207 N ILE A 79 -6.851 8.301 -10.370 1.00 0.00 N ATOM 1208 CA ILE A 79 -7.521 8.822 -9.192 1.00 0.00 C ATOM 1209 C ILE A 79 -6.633 9.880 -8.532 1.00 0.00 C ATOM 1210 O ILE A 79 -5.491 10.079 -8.941 1.00 0.00 O ATOM 1211 CB ILE A 79 -7.921 7.682 -8.253 1.00 0.00 C ATOM 1212 CG1 ILE A 79 -6.898 7.515 -7.127 1.00 0.00 C ATOM 1213 CG2 ILE A 79 -8.136 6.382 -9.030 1.00 0.00 C ATOM 1214 CD1 ILE A 79 -5.481 7.390 -7.688 1.00 0.00 C ATOM 0 H ILE A 79 -5.832 8.318 -10.324 1.00 0.00 H new ATOM 0 HA ILE A 79 -8.452 9.315 -9.471 1.00 0.00 H new ATOM 0 HB ILE A 79 -8.872 7.940 -7.788 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -6.952 8.369 -6.452 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -7.140 6.629 -6.540 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -8.419 5.588 -8.339 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -8.929 6.524 -9.765 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -7.213 6.106 -9.541 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -4.774 7.272 -6.867 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -5.424 6.521 -8.343 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -5.233 8.288 -8.254 1.00 0.00 H new ATOM 1226 N ASN A 80 -7.192 10.528 -7.521 1.00 0.00 N ATOM 1227 CA ASN A 80 -6.466 11.560 -6.800 1.00 0.00 C ATOM 1228 C ASN A 80 -5.692 10.921 -5.646 1.00 0.00 C ATOM 1229 O ASN A 80 -6.283 10.299 -4.767 1.00 0.00 O ATOM 1230 CB ASN A 80 -7.423 12.598 -6.211 1.00 0.00 C ATOM 1231 CG ASN A 80 -7.527 13.826 -7.117 1.00 0.00 C ATOM 1232 OD1 ASN A 80 -8.770 14.119 -7.490 1.00 0.00 O flip ATOM 1233 ND2 ASN A 80 -6.544 14.465 -7.455 1.00 0.00 N flip ATOM 0 H ASN A 80 -8.140 10.359 -7.184 1.00 0.00 H new ATOM 0 HA ASN A 80 -5.791 12.050 -7.502 1.00 0.00 H new ATOM 0 HB2 ASN A 80 -8.410 12.154 -6.080 1.00 0.00 H new ATOM 0 HB3 ASN A 80 -7.075 12.899 -5.223 1.00 0.00 H new ATOM 0 HD21 ASN A 80 -5.618 14.185 -7.132 1.00 0.00 H new ATOM 0 HD22 ASN A 80 -6.648 15.279 -8.060 1.00 0.00 H new ATOM 1240 N CYS A 81 -4.378 11.097 -5.688 1.00 0.00 N ATOM 1241 CA CYS A 81 -3.517 10.545 -4.657 1.00 0.00 C ATOM 1242 C CYS A 81 -4.126 10.878 -3.293 1.00 0.00 C ATOM 1243 O CYS A 81 -3.961 10.125 -2.334 1.00 0.00 O ATOM 1244 CB CYS A 81 -2.082 11.061 -4.782 1.00 0.00 C ATOM 1245 SG CYS A 81 -1.336 10.857 -6.441 1.00 0.00 S ATOM 0 H CYS A 81 -3.890 11.614 -6.420 1.00 0.00 H new ATOM 0 HA CYS A 81 -3.456 9.463 -4.772 1.00 0.00 H new ATOM 0 HB2 CYS A 81 -2.067 12.119 -4.520 1.00 0.00 H new ATOM 0 HB3 CYS A 81 -1.459 10.543 -4.053 1.00 0.00 H new ATOM 1250 N SER A 82 -4.816 12.007 -3.250 1.00 0.00 N ATOM 1251 CA SER A 82 -5.451 12.449 -2.019 1.00 0.00 C ATOM 1252 C SER A 82 -6.422 11.380 -1.517 1.00 0.00 C ATOM 1253 O SER A 82 -6.520 11.140 -0.315 1.00 0.00 O ATOM 1254 CB SER A 82 -6.183 13.777 -2.223 1.00 0.00 C ATOM 1255 OG SER A 82 -5.676 14.802 -1.372 1.00 0.00 O ATOM 0 H SER A 82 -4.950 12.630 -4.047 1.00 0.00 H new ATOM 0 HA SER A 82 -4.674 12.604 -1.271 1.00 0.00 H new ATOM 0 HB2 SER A 82 -6.086 14.088 -3.263 1.00 0.00 H new ATOM 0 HB3 SER A 82 -7.247 13.638 -2.030 1.00 0.00 H new ATOM 0 HG SER A 82 -6.168 15.634 -1.533 1.00 0.00 H new ATOM 1261 N ALA A 83 -7.117 10.764 -2.464 1.00 0.00 N ATOM 1262 CA ALA A 83 -8.077 9.726 -2.133 1.00 0.00 C ATOM 1263 C ALA A 83 -7.353 8.570 -1.441 1.00 0.00 C ATOM 1264 O ALA A 83 -7.987 7.713 -0.828 1.00 0.00 O ATOM 1265 CB ALA A 83 -8.806 9.282 -3.403 1.00 0.00 C ATOM 0 H ALA A 83 -7.033 10.965 -3.460 1.00 0.00 H new ATOM 0 HA ALA A 83 -8.829 10.105 -1.441 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -9.527 8.503 -3.155 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -9.328 10.134 -3.840 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -8.083 8.893 -4.120 1.00 0.00 H new ATOM 1271 N LEU A 84 -6.033 8.583 -1.563 1.00 0.00 N ATOM 1272 CA LEU A 84 -5.216 7.545 -0.956 1.00 0.00 C ATOM 1273 C LEU A 84 -4.578 8.088 0.324 1.00 0.00 C ATOM 1274 O LEU A 84 -3.665 7.475 0.874 1.00 0.00 O ATOM 1275 CB LEU A 84 -4.203 7.003 -1.967 1.00 0.00 C ATOM 1276 CG LEU A 84 -4.750 6.684 -3.359 1.00 0.00 C ATOM 1277 CD1 LEU A 84 -3.613 6.398 -4.343 1.00 0.00 C ATOM 1278 CD2 LEU A 84 -5.760 5.535 -3.303 1.00 0.00 C ATOM 0 H LEU A 84 -5.510 9.295 -2.073 1.00 0.00 H new ATOM 0 HA LEU A 84 -5.832 6.693 -0.668 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -3.399 7.732 -2.072 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -3.759 6.096 -1.556 1.00 0.00 H new ATOM 0 HG LEU A 84 -5.281 7.562 -3.725 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -4.029 6.174 -5.325 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -2.965 7.272 -4.414 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -3.034 5.544 -3.991 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -6.133 5.329 -4.306 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -5.275 4.643 -2.906 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -6.592 5.813 -2.657 1.00 0.00 H new ATOM 1290 N LEU A 85 -5.084 9.232 0.760 1.00 0.00 N ATOM 1291 CA LEU A 85 -4.574 9.864 1.966 1.00 0.00 C ATOM 1292 C LEU A 85 -5.749 10.282 2.852 1.00 0.00 C ATOM 1293 O LEU A 85 -5.627 11.205 3.656 1.00 0.00 O ATOM 1294 CB LEU A 85 -3.633 11.016 1.609 1.00 0.00 C ATOM 1295 CG LEU A 85 -2.441 11.223 2.547 1.00 0.00 C ATOM 1296 CD1 LEU A 85 -1.232 10.407 2.085 1.00 0.00 C ATOM 1297 CD2 LEU A 85 -2.109 12.710 2.690 1.00 0.00 C ATOM 0 H LEU A 85 -5.841 9.738 0.301 1.00 0.00 H new ATOM 0 HA LEU A 85 -3.974 9.159 2.542 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -3.252 10.849 0.601 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -4.213 11.938 1.582 1.00 0.00 H new ATOM 0 HG LEU A 85 -2.716 10.858 3.536 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -0.399 10.572 2.768 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -1.490 9.348 2.076 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -0.945 10.719 1.081 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -1.259 12.830 3.361 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -1.861 13.123 1.712 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -2.971 13.238 3.098 1.00 0.00 H new ATOM 1309 N GLN A 86 -6.860 9.582 2.676 1.00 0.00 N ATOM 1310 CA GLN A 86 -8.056 9.868 3.451 1.00 0.00 C ATOM 1311 C GLN A 86 -8.095 8.999 4.709 1.00 0.00 C ATOM 1312 O GLN A 86 -7.091 8.393 5.081 1.00 0.00 O ATOM 1313 CB GLN A 86 -9.316 9.669 2.608 1.00 0.00 C ATOM 1314 CG GLN A 86 -9.218 10.432 1.285 1.00 0.00 C ATOM 1315 CD GLN A 86 -10.455 11.304 1.061 1.00 0.00 C ATOM 1316 OE1 GLN A 86 -10.813 12.139 1.875 1.00 0.00 O ATOM 1317 NE2 GLN A 86 -11.086 11.064 -0.085 1.00 0.00 N ATOM 0 H GLN A 86 -6.957 8.817 2.008 1.00 0.00 H new ATOM 0 HA GLN A 86 -8.025 10.914 3.757 1.00 0.00 H new ATOM 0 HB2 GLN A 86 -9.461 8.607 2.409 1.00 0.00 H new ATOM 0 HB3 GLN A 86 -10.188 10.011 3.165 1.00 0.00 H new ATOM 0 HG2 GLN A 86 -8.324 11.056 1.287 1.00 0.00 H new ATOM 0 HG3 GLN A 86 -9.112 9.726 0.461 1.00 0.00 H new ATOM 0 HE21 GLN A 86 -10.733 10.350 -0.722 1.00 0.00 H new ATOM 0 HE22 GLN A 86 -11.923 11.594 -0.327 1.00 0.00 H new ATOM 1326 N ASP A 87 -9.264 8.964 5.330 1.00 0.00 N ATOM 1327 CA ASP A 87 -9.447 8.180 6.539 1.00 0.00 C ATOM 1328 C ASP A 87 -9.562 6.700 6.167 1.00 0.00 C ATOM 1329 O ASP A 87 -8.801 5.870 6.663 1.00 0.00 O ATOM 1330 CB ASP A 87 -10.728 8.584 7.271 1.00 0.00 C ATOM 1331 CG ASP A 87 -11.318 7.509 8.186 1.00 0.00 C ATOM 1332 OD1 ASP A 87 -10.512 6.725 8.733 1.00 0.00 O ATOM 1333 OD2 ASP A 87 -12.560 7.496 8.318 1.00 0.00 O ATOM 0 H ASP A 87 -10.095 9.467 5.018 1.00 0.00 H new ATOM 0 HA ASP A 87 -8.590 8.358 7.189 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -10.523 9.474 7.866 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -11.479 8.862 6.531 1.00 0.00 H new ATOM 1338 N ASP A 88 -10.521 6.413 5.299 1.00 0.00 N ATOM 1339 CA ASP A 88 -10.746 5.048 4.855 1.00 0.00 C ATOM 1340 C ASP A 88 -9.691 4.675 3.812 1.00 0.00 C ATOM 1341 O ASP A 88 -9.380 5.469 2.926 1.00 0.00 O ATOM 1342 CB ASP A 88 -12.123 4.898 4.208 1.00 0.00 C ATOM 1343 CG ASP A 88 -13.309 5.121 5.150 1.00 0.00 C ATOM 1344 OD1 ASP A 88 -13.128 4.864 6.360 1.00 0.00 O ATOM 1345 OD2 ASP A 88 -14.368 5.545 4.639 1.00 0.00 O ATOM 0 H ASP A 88 -11.152 7.103 4.891 1.00 0.00 H new ATOM 0 HA ASP A 88 -10.685 4.396 5.727 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -12.198 5.604 3.381 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -12.200 3.898 3.782 1.00 0.00 H new ATOM 1350 N ILE A 89 -9.167 3.465 3.953 1.00 0.00 N ATOM 1351 CA ILE A 89 -8.153 2.977 3.034 1.00 0.00 C ATOM 1352 C ILE A 89 -8.834 2.326 1.829 1.00 0.00 C ATOM 1353 O ILE A 89 -8.165 1.780 0.953 1.00 0.00 O ATOM 1354 CB ILE A 89 -7.173 2.053 3.760 1.00 0.00 C ATOM 1355 CG1 ILE A 89 -7.880 0.796 4.271 1.00 0.00 C ATOM 1356 CG2 ILE A 89 -6.445 2.798 4.881 1.00 0.00 C ATOM 1357 CD1 ILE A 89 -6.869 -0.233 4.780 1.00 0.00 C ATOM 0 H ILE A 89 -9.426 2.809 4.690 1.00 0.00 H new ATOM 0 HA ILE A 89 -7.554 3.804 2.653 1.00 0.00 H new ATOM 0 HB ILE A 89 -6.417 1.728 3.046 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -8.568 1.062 5.073 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -8.477 0.359 3.470 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -5.755 2.119 5.381 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -5.889 3.635 4.460 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -7.172 3.171 5.602 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -7.398 -1.117 5.137 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -6.197 -0.515 3.969 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -6.290 0.199 5.597 1.00 0.00 H new ATOM 1369 N THR A 90 -10.157 2.405 1.824 1.00 0.00 N ATOM 1370 CA THR A 90 -10.936 1.830 0.740 1.00 0.00 C ATOM 1371 C THR A 90 -10.307 2.175 -0.611 1.00 0.00 C ATOM 1372 O THR A 90 -10.137 1.303 -1.462 1.00 0.00 O ATOM 1373 CB THR A 90 -12.378 2.322 0.881 1.00 0.00 C ATOM 1374 OG1 THR A 90 -13.100 1.564 -0.086 1.00 0.00 O ATOM 1375 CG2 THR A 90 -12.550 3.772 0.424 1.00 0.00 C ATOM 0 H THR A 90 -10.709 2.858 2.553 1.00 0.00 H new ATOM 0 HA THR A 90 -10.942 0.741 0.792 1.00 0.00 H new ATOM 0 HB THR A 90 -12.692 2.230 1.921 1.00 0.00 H new ATOM 0 HG1 THR A 90 -14.046 1.819 -0.061 1.00 0.00 H new ATOM 0 HG21 THR A 90 -13.591 4.071 0.545 1.00 0.00 H new ATOM 0 HG22 THR A 90 -11.914 4.421 1.026 1.00 0.00 H new ATOM 0 HG23 THR A 90 -12.267 3.859 -0.625 1.00 0.00 H new ATOM 1383 N ALA A 91 -9.978 3.449 -0.767 1.00 0.00 N ATOM 1384 CA ALA A 91 -9.371 3.920 -2.000 1.00 0.00 C ATOM 1385 C ALA A 91 -7.960 3.342 -2.122 1.00 0.00 C ATOM 1386 O ALA A 91 -7.517 3.004 -3.219 1.00 0.00 O ATOM 1387 CB ALA A 91 -9.378 5.450 -2.021 1.00 0.00 C ATOM 0 H ALA A 91 -10.120 4.170 -0.059 1.00 0.00 H new ATOM 0 HA ALA A 91 -9.943 3.580 -2.863 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -8.923 5.803 -2.946 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -10.405 5.810 -1.962 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -8.811 5.828 -1.170 1.00 0.00 H new ATOM 1393 N ALA A 92 -7.293 3.244 -0.982 1.00 0.00 N ATOM 1394 CA ALA A 92 -5.942 2.712 -0.947 1.00 0.00 C ATOM 1395 C ALA A 92 -5.956 1.264 -1.441 1.00 0.00 C ATOM 1396 O ALA A 92 -5.146 0.884 -2.285 1.00 0.00 O ATOM 1397 CB ALA A 92 -5.378 2.840 0.469 1.00 0.00 C ATOM 0 H ALA A 92 -7.664 3.525 -0.074 1.00 0.00 H new ATOM 0 HA ALA A 92 -5.289 3.280 -1.609 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -4.364 2.441 0.494 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -5.362 3.890 0.761 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -6.006 2.281 1.163 1.00 0.00 H new ATOM 1403 N ILE A 93 -6.886 0.495 -0.894 1.00 0.00 N ATOM 1404 CA ILE A 93 -7.016 -0.903 -1.268 1.00 0.00 C ATOM 1405 C ILE A 93 -7.426 -0.996 -2.739 1.00 0.00 C ATOM 1406 O ILE A 93 -6.826 -1.749 -3.507 1.00 0.00 O ATOM 1407 CB ILE A 93 -7.971 -1.625 -0.316 1.00 0.00 C ATOM 1408 CG1 ILE A 93 -7.591 -1.369 1.143 1.00 0.00 C ATOM 1409 CG2 ILE A 93 -8.040 -3.120 -0.638 1.00 0.00 C ATOM 1410 CD1 ILE A 93 -8.495 -2.157 2.092 1.00 0.00 C ATOM 0 H ILE A 93 -7.557 0.814 -0.195 1.00 0.00 H new ATOM 0 HA ILE A 93 -6.059 -1.415 -1.171 1.00 0.00 H new ATOM 0 HB ILE A 93 -8.971 -1.218 -0.463 1.00 0.00 H new ATOM 0 HG12 ILE A 93 -6.551 -1.652 1.307 1.00 0.00 H new ATOM 0 HG13 ILE A 93 -7.669 -0.304 1.361 1.00 0.00 H new ATOM 0 HG21 ILE A 93 -8.726 -3.610 0.053 1.00 0.00 H new ATOM 0 HG22 ILE A 93 -8.396 -3.256 -1.659 1.00 0.00 H new ATOM 0 HG23 ILE A 93 -7.048 -3.560 -0.538 1.00 0.00 H new ATOM 0 HD11 ILE A 93 -8.203 -1.957 3.123 1.00 0.00 H new ATOM 0 HD12 ILE A 93 -9.531 -1.854 1.943 1.00 0.00 H new ATOM 0 HD13 ILE A 93 -8.396 -3.223 1.888 1.00 0.00 H new ATOM 1422 N GLN A 94 -8.442 -0.222 -3.088 1.00 0.00 N ATOM 1423 CA GLN A 94 -8.938 -0.208 -4.454 1.00 0.00 C ATOM 1424 C GLN A 94 -7.793 0.064 -5.431 1.00 0.00 C ATOM 1425 O GLN A 94 -7.671 -0.610 -6.452 1.00 0.00 O ATOM 1426 CB GLN A 94 -10.058 0.821 -4.620 1.00 0.00 C ATOM 1427 CG GLN A 94 -10.858 0.559 -5.898 1.00 0.00 C ATOM 1428 CD GLN A 94 -11.111 1.860 -6.662 1.00 0.00 C ATOM 1429 OE1 GLN A 94 -11.905 2.698 -6.266 1.00 0.00 O ATOM 1430 NE2 GLN A 94 -10.393 1.983 -7.775 1.00 0.00 N ATOM 0 H GLN A 94 -8.936 0.401 -2.449 1.00 0.00 H new ATOM 0 HA GLN A 94 -9.356 -1.189 -4.679 1.00 0.00 H new ATOM 0 HB2 GLN A 94 -10.722 0.783 -3.757 1.00 0.00 H new ATOM 0 HB3 GLN A 94 -9.633 1.824 -4.652 1.00 0.00 H new ATOM 0 HG2 GLN A 94 -10.316 -0.141 -6.534 1.00 0.00 H new ATOM 0 HG3 GLN A 94 -11.809 0.090 -5.646 1.00 0.00 H new ATOM 0 HE21 GLN A 94 -9.746 1.243 -8.049 1.00 0.00 H new ATOM 0 HE22 GLN A 94 -10.489 2.817 -8.354 1.00 0.00 H new ATOM 1439 N CYS A 95 -6.983 1.053 -5.084 1.00 0.00 N ATOM 1440 CA CYS A 95 -5.852 1.423 -5.918 1.00 0.00 C ATOM 1441 C CYS A 95 -4.805 0.312 -5.827 1.00 0.00 C ATOM 1442 O CYS A 95 -4.237 -0.094 -6.840 1.00 0.00 O ATOM 1443 CB CYS A 95 -5.277 2.784 -5.521 1.00 0.00 C ATOM 1444 SG CYS A 95 -4.572 3.753 -6.904 1.00 0.00 S ATOM 0 H CYS A 95 -7.087 1.610 -4.236 1.00 0.00 H new ATOM 0 HA CYS A 95 -6.179 1.529 -6.952 1.00 0.00 H new ATOM 0 HB2 CYS A 95 -6.064 3.371 -5.049 1.00 0.00 H new ATOM 0 HB3 CYS A 95 -4.501 2.630 -4.771 1.00 0.00 H new ATOM 1449 N ALA A 96 -4.580 -0.147 -4.605 1.00 0.00 N ATOM 1450 CA ALA A 96 -3.610 -1.203 -4.369 1.00 0.00 C ATOM 1451 C ALA A 96 -3.907 -2.380 -5.301 1.00 0.00 C ATOM 1452 O ALA A 96 -3.011 -2.876 -5.982 1.00 0.00 O ATOM 1453 CB ALA A 96 -3.644 -1.606 -2.893 1.00 0.00 C ATOM 0 H ALA A 96 -5.053 0.193 -3.767 1.00 0.00 H new ATOM 0 HA ALA A 96 -2.601 -0.854 -4.589 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -2.917 -2.398 -2.715 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -3.399 -0.743 -2.274 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -4.641 -1.965 -2.637 1.00 0.00 H new ATOM 1459 N LYS A 97 -5.166 -2.790 -5.303 1.00 0.00 N ATOM 1460 CA LYS A 97 -5.591 -3.899 -6.140 1.00 0.00 C ATOM 1461 C LYS A 97 -5.561 -3.465 -7.607 1.00 0.00 C ATOM 1462 O LYS A 97 -5.150 -4.230 -8.477 1.00 0.00 O ATOM 1463 CB LYS A 97 -6.954 -4.424 -5.683 1.00 0.00 C ATOM 1464 CG LYS A 97 -8.047 -3.379 -5.904 1.00 0.00 C ATOM 1465 CD LYS A 97 -9.417 -4.042 -6.065 1.00 0.00 C ATOM 1466 CE LYS A 97 -10.544 -3.058 -5.746 1.00 0.00 C ATOM 1467 NZ LYS A 97 -11.833 -3.559 -6.272 1.00 0.00 N ATOM 0 H LYS A 97 -5.906 -2.374 -4.738 1.00 0.00 H new ATOM 0 HA LYS A 97 -4.902 -4.738 -6.040 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -7.200 -5.333 -6.231 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -6.909 -4.691 -4.627 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -8.070 -2.688 -5.061 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -7.818 -2.790 -6.792 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -9.529 -4.410 -7.085 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -9.486 -4.906 -5.405 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -10.615 -2.915 -4.668 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -10.320 -2.085 -6.183 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -12.587 -2.879 -6.047 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -11.766 -3.673 -7.304 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -12.053 -4.477 -5.836 1.00 0.00 H new ATOM 1481 N ARG A 98 -6.001 -2.236 -7.837 1.00 0.00 N ATOM 1482 CA ARG A 98 -6.030 -1.691 -9.183 1.00 0.00 C ATOM 1483 C ARG A 98 -4.611 -1.601 -9.750 1.00 0.00 C ATOM 1484 O ARG A 98 -4.422 -1.617 -10.965 1.00 0.00 O ATOM 1485 CB ARG A 98 -6.667 -0.299 -9.201 1.00 0.00 C ATOM 1486 CG ARG A 98 -6.667 0.286 -10.614 1.00 0.00 C ATOM 1487 CD ARG A 98 -8.071 0.738 -11.020 1.00 0.00 C ATOM 1488 NE ARG A 98 -8.024 1.423 -12.332 1.00 0.00 N ATOM 1489 CZ ARG A 98 -9.106 1.836 -13.003 1.00 0.00 C ATOM 1490 NH1 ARG A 98 -10.329 1.636 -12.491 1.00 0.00 N ATOM 1491 NH2 ARG A 98 -8.968 2.449 -14.186 1.00 0.00 N ATOM 0 H ARG A 98 -6.340 -1.603 -7.113 1.00 0.00 H new ATOM 0 HA ARG A 98 -6.630 -2.361 -9.799 1.00 0.00 H new ATOM 0 HB2 ARG A 98 -7.690 -0.358 -8.828 1.00 0.00 H new ATOM 0 HB3 ARG A 98 -6.121 0.363 -8.529 1.00 0.00 H new ATOM 0 HG2 ARG A 98 -5.981 1.132 -10.661 1.00 0.00 H new ATOM 0 HG3 ARG A 98 -6.303 -0.460 -11.320 1.00 0.00 H new ATOM 0 HD2 ARG A 98 -8.738 -0.123 -11.074 1.00 0.00 H new ATOM 0 HD3 ARG A 98 -8.478 1.410 -10.264 1.00 0.00 H new ATOM 0 HE ARG A 98 -7.109 1.591 -12.751 1.00 0.00 H new ATOM 0 HH11 ARG A 98 -10.435 1.169 -11.590 1.00 0.00 H new ATOM 0 HH12 ARG A 98 -11.154 1.951 -13.002 1.00 0.00 H new ATOM 0 HH21 ARG A 98 -8.038 2.601 -14.576 1.00 0.00 H new ATOM 0 HH22 ARG A 98 -9.793 2.763 -14.697 1.00 0.00 H new ATOM 1505 N VAL A 99 -3.650 -1.511 -8.842 1.00 0.00 N ATOM 1506 CA VAL A 99 -2.255 -1.418 -9.237 1.00 0.00 C ATOM 1507 C VAL A 99 -1.694 -2.828 -9.442 1.00 0.00 C ATOM 1508 O VAL A 99 -1.179 -3.144 -10.513 1.00 0.00 O ATOM 1509 CB VAL A 99 -1.470 -0.609 -8.202 1.00 0.00 C ATOM 1510 CG1 VAL A 99 0.033 -0.854 -8.338 1.00 0.00 C ATOM 1511 CG2 VAL A 99 -1.795 0.883 -8.313 1.00 0.00 C ATOM 0 H VAL A 99 -3.810 -1.501 -7.835 1.00 0.00 H new ATOM 0 HA VAL A 99 -2.161 -0.887 -10.184 1.00 0.00 H new ATOM 0 HB VAL A 99 -1.775 -0.947 -7.211 1.00 0.00 H new ATOM 0 HG11 VAL A 99 0.566 -0.267 -7.591 1.00 0.00 H new ATOM 0 HG12 VAL A 99 0.244 -1.913 -8.186 1.00 0.00 H new ATOM 0 HG13 VAL A 99 0.361 -0.558 -9.334 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -1.225 1.436 -7.567 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -1.532 1.240 -9.309 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -2.861 1.037 -8.142 1.00 0.00 H new ATOM 1521 N VAL A 100 -1.813 -3.636 -8.399 1.00 0.00 N ATOM 1522 CA VAL A 100 -1.325 -5.003 -8.452 1.00 0.00 C ATOM 1523 C VAL A 100 -1.942 -5.714 -9.657 1.00 0.00 C ATOM 1524 O VAL A 100 -1.309 -6.576 -10.266 1.00 0.00 O ATOM 1525 CB VAL A 100 -1.613 -5.713 -7.128 1.00 0.00 C ATOM 1526 CG1 VAL A 100 -2.914 -6.513 -7.206 1.00 0.00 C ATOM 1527 CG2 VAL A 100 -0.442 -6.609 -6.720 1.00 0.00 C ATOM 0 H VAL A 100 -2.240 -3.370 -7.512 1.00 0.00 H new ATOM 0 HA VAL A 100 -0.243 -5.017 -8.585 1.00 0.00 H new ATOM 0 HB VAL A 100 -1.735 -4.950 -6.359 1.00 0.00 H new ATOM 0 HG11 VAL A 100 -3.095 -7.008 -6.252 1.00 0.00 H new ATOM 0 HG12 VAL A 100 -3.742 -5.840 -7.429 1.00 0.00 H new ATOM 0 HG13 VAL A 100 -2.834 -7.262 -7.994 1.00 0.00 H new ATOM 0 HG21 VAL A 100 -0.673 -7.102 -5.776 1.00 0.00 H new ATOM 0 HG22 VAL A 100 -0.274 -7.362 -7.490 1.00 0.00 H new ATOM 0 HG23 VAL A 100 0.456 -6.003 -6.603 1.00 0.00 H new ATOM 1537 N ARG A 101 -3.170 -5.326 -9.969 1.00 0.00 N ATOM 1538 CA ARG A 101 -3.879 -5.915 -11.092 1.00 0.00 C ATOM 1539 C ARG A 101 -2.970 -5.974 -12.322 1.00 0.00 C ATOM 1540 O ARG A 101 -3.138 -6.839 -13.180 1.00 0.00 O ATOM 1541 CB ARG A 101 -5.136 -5.113 -11.432 1.00 0.00 C ATOM 1542 CG ARG A 101 -6.121 -5.954 -12.247 1.00 0.00 C ATOM 1543 CD ARG A 101 -5.968 -5.679 -13.745 1.00 0.00 C ATOM 1544 NE ARG A 101 -6.469 -6.832 -14.525 1.00 0.00 N ATOM 1545 CZ ARG A 101 -6.088 -7.115 -15.778 1.00 0.00 C ATOM 1546 NH1 ARG A 101 -5.199 -6.330 -16.401 1.00 0.00 N ATOM 1547 NH2 ARG A 101 -6.596 -8.183 -16.407 1.00 0.00 N ATOM 0 H ARG A 101 -3.692 -4.610 -9.463 1.00 0.00 H new ATOM 0 HA ARG A 101 -4.173 -6.925 -10.805 1.00 0.00 H new ATOM 0 HB2 ARG A 101 -5.615 -4.775 -10.513 1.00 0.00 H new ATOM 0 HB3 ARG A 101 -4.861 -4.221 -11.995 1.00 0.00 H new ATOM 0 HG2 ARG A 101 -5.952 -7.012 -12.049 1.00 0.00 H new ATOM 0 HG3 ARG A 101 -7.141 -5.730 -11.935 1.00 0.00 H new ATOM 0 HD2 ARG A 101 -6.520 -4.779 -14.016 1.00 0.00 H new ATOM 0 HD3 ARG A 101 -4.921 -5.495 -13.984 1.00 0.00 H new ATOM 0 HE ARG A 101 -7.147 -7.451 -14.081 1.00 0.00 H new ATOM 0 HH11 ARG A 101 -4.812 -5.517 -15.921 1.00 0.00 H new ATOM 0 HH12 ARG A 101 -4.909 -6.545 -17.355 1.00 0.00 H new ATOM 0 HH21 ARG A 101 -7.273 -8.780 -15.932 1.00 0.00 H new ATOM 0 HH22 ARG A 101 -6.306 -8.399 -17.361 1.00 0.00 H new ATOM 1561 N ASP A 102 -2.029 -5.043 -12.367 1.00 0.00 N ATOM 1562 CA ASP A 102 -1.095 -4.979 -13.478 1.00 0.00 C ATOM 1563 C ASP A 102 -0.107 -6.143 -13.375 1.00 0.00 C ATOM 1564 O ASP A 102 -0.158 -6.924 -12.427 1.00 0.00 O ATOM 1565 CB ASP A 102 -0.294 -3.675 -13.449 1.00 0.00 C ATOM 1566 CG ASP A 102 -0.476 -2.777 -14.674 1.00 0.00 C ATOM 1567 OD1 ASP A 102 -1.401 -3.071 -15.461 1.00 0.00 O ATOM 1568 OD2 ASP A 102 0.315 -1.817 -14.796 1.00 0.00 O ATOM 0 H ASP A 102 -1.893 -4.327 -11.653 1.00 0.00 H new ATOM 0 HA ASP A 102 -1.668 -5.030 -14.404 1.00 0.00 H new ATOM 0 HB2 ASP A 102 -0.577 -3.112 -12.559 1.00 0.00 H new ATOM 0 HB3 ASP A 102 0.764 -3.918 -13.349 1.00 0.00 H new ATOM 1573 N PRO A 103 0.794 -6.223 -14.392 1.00 0.00 N ATOM 1574 CA PRO A 103 1.792 -7.279 -14.426 1.00 0.00 C ATOM 1575 C PRO A 103 2.907 -7.011 -13.414 1.00 0.00 C ATOM 1576 O PRO A 103 3.829 -7.813 -13.273 1.00 0.00 O ATOM 1577 CB PRO A 103 2.287 -7.307 -15.863 1.00 0.00 C ATOM 1578 CG PRO A 103 1.891 -5.968 -16.466 1.00 0.00 C ATOM 1579 CD PRO A 103 0.884 -5.316 -15.532 1.00 0.00 C ATOM 0 HA PRO A 103 1.388 -8.250 -14.140 1.00 0.00 H new ATOM 0 HB2 PRO A 103 3.367 -7.449 -15.901 1.00 0.00 H new ATOM 0 HB3 PRO A 103 1.837 -8.132 -16.415 1.00 0.00 H new ATOM 0 HG2 PRO A 103 2.767 -5.331 -16.588 1.00 0.00 H new ATOM 0 HG3 PRO A 103 1.458 -6.108 -17.456 1.00 0.00 H new ATOM 0 HD2 PRO A 103 1.214 -4.324 -15.224 1.00 0.00 H new ATOM 0 HD3 PRO A 103 -0.084 -5.193 -16.017 1.00 0.00 H new ATOM 1587 N GLN A 104 2.787 -5.878 -12.735 1.00 0.00 N ATOM 1588 CA GLN A 104 3.774 -5.495 -11.740 1.00 0.00 C ATOM 1589 C GLN A 104 3.774 -6.492 -10.579 1.00 0.00 C ATOM 1590 O GLN A 104 4.779 -7.153 -10.323 1.00 0.00 O ATOM 1591 CB GLN A 104 3.524 -4.071 -11.240 1.00 0.00 C ATOM 1592 CG GLN A 104 3.441 -3.086 -12.407 1.00 0.00 C ATOM 1593 CD GLN A 104 4.768 -2.349 -12.597 1.00 0.00 C ATOM 1594 OE1 GLN A 104 5.577 -2.230 -11.691 1.00 0.00 O ATOM 1595 NE2 GLN A 104 4.946 -1.860 -13.822 1.00 0.00 N ATOM 0 H GLN A 104 2.022 -5.214 -12.855 1.00 0.00 H new ATOM 0 HA GLN A 104 4.758 -5.513 -12.208 1.00 0.00 H new ATOM 0 HB2 GLN A 104 2.597 -4.041 -10.667 1.00 0.00 H new ATOM 0 HB3 GLN A 104 4.326 -3.773 -10.565 1.00 0.00 H new ATOM 0 HG2 GLN A 104 3.184 -3.621 -13.321 1.00 0.00 H new ATOM 0 HG3 GLN A 104 2.644 -2.366 -12.224 1.00 0.00 H new ATOM 0 HE21 GLN A 104 4.229 -1.995 -14.534 1.00 0.00 H new ATOM 0 HE22 GLN A 104 5.800 -1.350 -14.048 1.00 0.00 H new ATOM 1604 N GLY A 105 2.634 -6.570 -9.908 1.00 0.00 N ATOM 1605 CA GLY A 105 2.488 -7.474 -8.781 1.00 0.00 C ATOM 1606 C GLY A 105 3.169 -6.908 -7.532 1.00 0.00 C ATOM 1607 O GLY A 105 4.116 -6.130 -7.636 1.00 0.00 O ATOM 0 H GLY A 105 1.802 -6.021 -10.124 1.00 0.00 H new ATOM 0 HA2 GLY A 105 1.430 -7.641 -8.579 1.00 0.00 H new ATOM 0 HA3 GLY A 105 2.922 -8.443 -9.029 1.00 0.00 H new ATOM 1611 N ILE A 106 2.658 -7.321 -6.381 1.00 0.00 N ATOM 1612 CA ILE A 106 3.206 -6.865 -5.115 1.00 0.00 C ATOM 1613 C ILE A 106 4.733 -6.839 -5.202 1.00 0.00 C ATOM 1614 O ILE A 106 5.383 -6.034 -4.537 1.00 0.00 O ATOM 1615 CB ILE A 106 2.671 -7.718 -3.962 1.00 0.00 C ATOM 1616 CG1 ILE A 106 1.272 -7.259 -3.544 1.00 0.00 C ATOM 1617 CG2 ILE A 106 3.649 -7.725 -2.785 1.00 0.00 C ATOM 1618 CD1 ILE A 106 1.344 -6.296 -2.357 1.00 0.00 C ATOM 0 H ILE A 106 1.872 -7.965 -6.299 1.00 0.00 H new ATOM 0 HA ILE A 106 2.882 -5.845 -4.906 1.00 0.00 H new ATOM 0 HB ILE A 106 2.581 -8.747 -4.311 1.00 0.00 H new ATOM 0 HG12 ILE A 106 0.779 -6.770 -4.384 1.00 0.00 H new ATOM 0 HG13 ILE A 106 0.665 -8.125 -3.279 1.00 0.00 H new ATOM 0 HG21 ILE A 106 3.245 -8.338 -1.980 1.00 0.00 H new ATOM 0 HG22 ILE A 106 4.605 -8.136 -3.109 1.00 0.00 H new ATOM 0 HG23 ILE A 106 3.795 -6.706 -2.427 1.00 0.00 H new ATOM 0 HD11 ILE A 106 0.337 -5.985 -2.079 1.00 0.00 H new ATOM 0 HD12 ILE A 106 1.815 -6.796 -1.511 1.00 0.00 H new ATOM 0 HD13 ILE A 106 1.931 -5.420 -2.634 1.00 0.00 H new ATOM 1630 N ARG A 107 5.261 -7.729 -6.029 1.00 0.00 N ATOM 1631 CA ARG A 107 6.700 -7.818 -6.213 1.00 0.00 C ATOM 1632 C ARG A 107 7.320 -6.419 -6.238 1.00 0.00 C ATOM 1633 O ARG A 107 8.428 -6.219 -5.745 1.00 0.00 O ATOM 1634 CB ARG A 107 7.045 -8.545 -7.515 1.00 0.00 C ATOM 1635 CG ARG A 107 8.438 -9.173 -7.439 1.00 0.00 C ATOM 1636 CD ARG A 107 8.832 -9.797 -8.779 1.00 0.00 C ATOM 1637 NE ARG A 107 9.809 -8.929 -9.474 1.00 0.00 N ATOM 1638 CZ ARG A 107 10.043 -8.966 -10.793 1.00 0.00 C ATOM 1639 NH1 ARG A 107 9.370 -9.829 -11.568 1.00 0.00 N ATOM 1640 NH2 ARG A 107 10.948 -8.142 -11.336 1.00 0.00 N ATOM 0 H ARG A 107 4.719 -8.395 -6.579 1.00 0.00 H new ATOM 0 HA ARG A 107 7.107 -8.384 -5.375 1.00 0.00 H new ATOM 0 HB2 ARG A 107 6.303 -9.319 -7.711 1.00 0.00 H new ATOM 0 HB3 ARG A 107 7.003 -7.845 -8.349 1.00 0.00 H new ATOM 0 HG2 ARG A 107 9.168 -8.414 -7.159 1.00 0.00 H new ATOM 0 HG3 ARG A 107 8.455 -9.935 -6.660 1.00 0.00 H new ATOM 0 HD2 ARG A 107 9.262 -10.785 -8.617 1.00 0.00 H new ATOM 0 HD3 ARG A 107 7.947 -9.933 -9.401 1.00 0.00 H new ATOM 0 HE ARG A 107 10.338 -8.260 -8.914 1.00 0.00 H new ATOM 0 HH11 ARG A 107 8.681 -10.456 -11.153 1.00 0.00 H new ATOM 0 HH12 ARG A 107 9.547 -9.858 -12.572 1.00 0.00 H new ATOM 0 HH21 ARG A 107 11.459 -7.486 -10.746 1.00 0.00 H new ATOM 0 HH22 ARG A 107 11.126 -8.170 -12.340 1.00 0.00 H new ATOM 1654 N ALA A 108 6.576 -5.489 -6.818 1.00 0.00 N ATOM 1655 CA ALA A 108 7.039 -4.114 -6.914 1.00 0.00 C ATOM 1656 C ALA A 108 7.689 -3.706 -5.591 1.00 0.00 C ATOM 1657 O ALA A 108 8.660 -2.951 -5.580 1.00 0.00 O ATOM 1658 CB ALA A 108 5.866 -3.206 -7.291 1.00 0.00 C ATOM 0 H ALA A 108 5.657 -5.660 -7.226 1.00 0.00 H new ATOM 0 HA ALA A 108 7.792 -4.016 -7.696 1.00 0.00 H new ATOM 0 HB1 ALA A 108 6.212 -2.175 -7.363 1.00 0.00 H new ATOM 0 HB2 ALA A 108 5.457 -3.520 -8.252 1.00 0.00 H new ATOM 0 HB3 ALA A 108 5.092 -3.276 -6.527 1.00 0.00 H new ATOM 1664 N TRP A 109 7.128 -4.223 -4.507 1.00 0.00 N ATOM 1665 CA TRP A 109 7.642 -3.922 -3.182 1.00 0.00 C ATOM 1666 C TRP A 109 8.692 -4.977 -2.831 1.00 0.00 C ATOM 1667 O TRP A 109 8.572 -5.663 -1.817 1.00 0.00 O ATOM 1668 CB TRP A 109 6.506 -3.843 -2.160 1.00 0.00 C ATOM 1669 CG TRP A 109 5.534 -2.687 -2.395 1.00 0.00 C ATOM 1670 CD1 TRP A 109 5.725 -1.384 -2.149 1.00 0.00 C ATOM 1671 CD2 TRP A 109 4.200 -2.782 -2.939 1.00 0.00 C ATOM 1672 NE1 TRP A 109 4.618 -0.636 -2.492 1.00 0.00 N ATOM 1673 CE2 TRP A 109 3.661 -1.513 -2.989 1.00 0.00 C ATOM 1674 CE3 TRP A 109 3.474 -3.904 -3.377 1.00 0.00 C ATOM 1675 CZ2 TRP A 109 2.373 -1.245 -3.468 1.00 0.00 C ATOM 1676 CZ3 TRP A 109 2.189 -3.620 -3.852 1.00 0.00 C ATOM 1677 CH2 TRP A 109 1.631 -2.348 -3.908 1.00 0.00 C ATOM 0 H TRP A 109 6.322 -4.848 -4.520 1.00 0.00 H new ATOM 0 HA TRP A 109 8.117 -2.941 -3.165 1.00 0.00 H new ATOM 0 HB2 TRP A 109 5.950 -4.780 -2.178 1.00 0.00 H new ATOM 0 HB3 TRP A 109 6.935 -3.746 -1.163 1.00 0.00 H new ATOM 0 HD1 TRP A 109 6.632 -0.971 -1.734 1.00 0.00 H new ATOM 0 HE1 TRP A 109 4.520 0.375 -2.398 1.00 0.00 H new ATOM 0 HE3 TRP A 109 3.877 -4.906 -3.349 1.00 0.00 H new ATOM 0 HZ2 TRP A 109 1.973 -0.242 -3.497 1.00 0.00 H new ATOM 0 HZ3 TRP A 109 1.588 -4.447 -4.200 1.00 0.00 H new ATOM 0 HH2 TRP A 109 0.630 -2.211 -4.289 1.00 0.00 H new ATOM 1688 N VAL A 110 9.697 -5.074 -3.688 1.00 0.00 N ATOM 1689 CA VAL A 110 10.768 -6.034 -3.481 1.00 0.00 C ATOM 1690 C VAL A 110 11.141 -6.064 -1.998 1.00 0.00 C ATOM 1691 O VAL A 110 11.580 -7.092 -1.484 1.00 0.00 O ATOM 1692 CB VAL A 110 11.954 -5.700 -4.389 1.00 0.00 C ATOM 1693 CG1 VAL A 110 13.159 -6.584 -4.063 1.00 0.00 C ATOM 1694 CG2 VAL A 110 11.566 -5.821 -5.863 1.00 0.00 C ATOM 0 H VAL A 110 9.793 -4.503 -4.528 1.00 0.00 H new ATOM 0 HA VAL A 110 10.439 -7.037 -3.754 1.00 0.00 H new ATOM 0 HB VAL A 110 12.239 -4.665 -4.202 1.00 0.00 H new ATOM 0 HG11 VAL A 110 13.988 -6.327 -4.722 1.00 0.00 H new ATOM 0 HG12 VAL A 110 13.457 -6.425 -3.027 1.00 0.00 H new ATOM 0 HG13 VAL A 110 12.892 -7.631 -4.208 1.00 0.00 H new ATOM 0 HG21 VAL A 110 12.426 -5.578 -6.487 1.00 0.00 H new ATOM 0 HG22 VAL A 110 11.243 -6.841 -6.072 1.00 0.00 H new ATOM 0 HG23 VAL A 110 10.752 -5.130 -6.083 1.00 0.00 H new ATOM 1704 N ALA A 111 10.951 -4.924 -1.350 1.00 0.00 N ATOM 1705 CA ALA A 111 11.262 -4.806 0.065 1.00 0.00 C ATOM 1706 C ALA A 111 10.715 -6.029 0.806 1.00 0.00 C ATOM 1707 O ALA A 111 11.436 -6.668 1.572 1.00 0.00 O ATOM 1708 CB ALA A 111 10.692 -3.494 0.606 1.00 0.00 C ATOM 0 H ALA A 111 10.586 -4.074 -1.779 1.00 0.00 H new ATOM 0 HA ALA A 111 12.341 -4.781 0.220 1.00 0.00 H new ATOM 0 HB1 ALA A 111 10.925 -3.406 1.667 1.00 0.00 H new ATOM 0 HB2 ALA A 111 11.133 -2.656 0.067 1.00 0.00 H new ATOM 0 HB3 ALA A 111 9.611 -3.484 0.470 1.00 0.00 H new ATOM 1714 N TRP A 112 9.447 -6.316 0.552 1.00 0.00 N ATOM 1715 CA TRP A 112 8.796 -7.450 1.186 1.00 0.00 C ATOM 1716 C TRP A 112 9.611 -8.705 0.862 1.00 0.00 C ATOM 1717 O TRP A 112 9.787 -9.572 1.715 1.00 0.00 O ATOM 1718 CB TRP A 112 7.334 -7.558 0.748 1.00 0.00 C ATOM 1719 CG TRP A 112 6.922 -8.960 0.294 1.00 0.00 C ATOM 1720 CD1 TRP A 112 6.243 -9.886 0.987 1.00 0.00 C ATOM 1721 CD2 TRP A 112 7.191 -9.562 -0.990 1.00 0.00 C ATOM 1722 NE1 TRP A 112 6.056 -11.034 0.246 1.00 0.00 N ATOM 1723 CE2 TRP A 112 6.650 -10.831 -0.995 1.00 0.00 C ATOM 1724 CE3 TRP A 112 7.868 -9.050 -2.110 1.00 0.00 C ATOM 1725 CZ2 TRP A 112 6.731 -11.695 -2.093 1.00 0.00 C ATOM 1726 CZ3 TRP A 112 7.940 -9.925 -3.201 1.00 0.00 C ATOM 1727 CH2 TRP A 112 7.402 -11.207 -3.221 1.00 0.00 C ATOM 0 H TRP A 112 8.853 -5.783 -0.084 1.00 0.00 H new ATOM 0 HA TRP A 112 8.767 -7.323 2.268 1.00 0.00 H new ATOM 0 HB2 TRP A 112 6.694 -7.253 1.576 1.00 0.00 H new ATOM 0 HB3 TRP A 112 7.157 -6.857 -0.067 1.00 0.00 H new ATOM 0 HD1 TRP A 112 5.888 -9.750 1.998 1.00 0.00 H new ATOM 0 HE1 TRP A 112 5.571 -11.877 0.552 1.00 0.00 H new ATOM 0 HE3 TRP A 112 8.299 -8.060 -2.128 1.00 0.00 H new ATOM 0 HZ2 TRP A 112 6.299 -12.685 -2.071 1.00 0.00 H new ATOM 0 HZ3 TRP A 112 8.449 -9.580 -4.089 1.00 0.00 H new ATOM 0 HH2 TRP A 112 7.501 -11.823 -4.102 1.00 0.00 H new ATOM 1738 N ARG A 113 10.086 -8.760 -0.374 1.00 0.00 N ATOM 1739 CA ARG A 113 10.878 -9.893 -0.821 1.00 0.00 C ATOM 1740 C ARG A 113 12.159 -10.006 0.008 1.00 0.00 C ATOM 1741 O ARG A 113 12.828 -11.037 -0.014 1.00 0.00 O ATOM 1742 CB ARG A 113 11.246 -9.759 -2.300 1.00 0.00 C ATOM 1743 CG ARG A 113 11.685 -11.105 -2.880 1.00 0.00 C ATOM 1744 CD ARG A 113 12.672 -10.910 -4.033 1.00 0.00 C ATOM 1745 NE ARG A 113 14.057 -10.885 -3.514 1.00 0.00 N ATOM 1746 CZ ARG A 113 15.149 -10.994 -4.284 1.00 0.00 C ATOM 1747 NH1 ARG A 113 15.023 -11.135 -5.610 1.00 0.00 N ATOM 1748 NH2 ARG A 113 16.367 -10.961 -3.727 1.00 0.00 N ATOM 0 H ARG A 113 9.938 -8.038 -1.079 1.00 0.00 H new ATOM 0 HA ARG A 113 10.275 -10.791 -0.688 1.00 0.00 H new ATOM 0 HB2 ARG A 113 10.390 -9.380 -2.858 1.00 0.00 H new ATOM 0 HB3 ARG A 113 12.049 -9.031 -2.414 1.00 0.00 H new ATOM 0 HG2 ARG A 113 12.148 -11.708 -2.099 1.00 0.00 H new ATOM 0 HG3 ARG A 113 10.812 -11.655 -3.233 1.00 0.00 H new ATOM 0 HD2 ARG A 113 12.561 -11.716 -4.758 1.00 0.00 H new ATOM 0 HD3 ARG A 113 12.454 -9.979 -4.556 1.00 0.00 H new ATOM 0 HE ARG A 113 14.189 -10.778 -2.508 1.00 0.00 H new ATOM 0 HH11 ARG A 113 14.096 -11.159 -6.034 1.00 0.00 H new ATOM 0 HH12 ARG A 113 15.854 -11.218 -6.195 1.00 0.00 H new ATOM 0 HH21 ARG A 113 16.463 -10.853 -2.717 1.00 0.00 H new ATOM 0 HH22 ARG A 113 17.198 -11.044 -4.313 1.00 0.00 H new ATOM 1762 N ALA A 114 12.463 -8.930 0.719 1.00 0.00 N ATOM 1763 CA ALA A 114 13.651 -8.894 1.553 1.00 0.00 C ATOM 1764 C ALA A 114 13.257 -8.512 2.980 1.00 0.00 C ATOM 1765 O ALA A 114 14.028 -7.867 3.690 1.00 0.00 O ATOM 1766 CB ALA A 114 14.670 -7.924 0.949 1.00 0.00 C ATOM 0 H ALA A 114 11.906 -8.076 0.734 1.00 0.00 H new ATOM 0 HA ALA A 114 14.121 -9.877 1.594 1.00 0.00 H new ATOM 0 HB1 ALA A 114 15.562 -7.897 1.575 1.00 0.00 H new ATOM 0 HB2 ALA A 114 14.940 -8.257 -0.053 1.00 0.00 H new ATOM 0 HB3 ALA A 114 14.235 -6.926 0.894 1.00 0.00 H new ATOM 1772 N HIS A 115 12.057 -8.925 3.359 1.00 0.00 N ATOM 1773 CA HIS A 115 11.550 -8.634 4.690 1.00 0.00 C ATOM 1774 C HIS A 115 10.590 -9.742 5.127 1.00 0.00 C ATOM 1775 O HIS A 115 10.664 -10.223 6.256 1.00 0.00 O ATOM 1776 CB HIS A 115 10.913 -7.245 4.736 1.00 0.00 C ATOM 1777 CG HIS A 115 11.387 -6.389 5.887 1.00 0.00 C ATOM 1778 ND1 HIS A 115 12.635 -5.945 6.212 1.00 0.00 N flip ATOM 1779 CD2 HIS A 115 10.531 -5.898 6.858 1.00 0.00 C flip ATOM 1780 CE1 HIS A 115 12.546 -5.221 7.321 1.00 0.00 C flip ATOM 1781 NE2 HIS A 115 11.243 -5.190 7.723 1.00 0.00 N flip ATOM 0 H HIS A 115 11.420 -9.459 2.768 1.00 0.00 H new ATOM 0 HA HIS A 115 12.375 -8.615 5.402 1.00 0.00 H new ATOM 0 HB2 HIS A 115 11.126 -6.728 3.800 1.00 0.00 H new ATOM 0 HB3 HIS A 115 9.830 -7.355 4.800 1.00 0.00 H new ATOM 0 HD2 HIS A 115 9.465 -6.064 6.903 1.00 0.00 H new ATOM 0 HE1 HIS A 115 13.370 -4.736 7.823 1.00 0.00 H new ATOM 0 HE2 HIS A 115 10.880 -4.707 8.545 1.00 0.00 H new ATOM 1790 N CYS A 116 9.708 -10.113 4.209 1.00 0.00 N ATOM 1791 CA CYS A 116 8.733 -11.154 4.486 1.00 0.00 C ATOM 1792 C CYS A 116 9.355 -12.503 4.119 1.00 0.00 C ATOM 1793 O CYS A 116 9.396 -13.417 4.941 1.00 0.00 O ATOM 1794 CB CYS A 116 7.419 -10.910 3.743 1.00 0.00 C ATOM 1795 SG CYS A 116 5.986 -10.542 4.820 1.00 0.00 S ATOM 0 H CYS A 116 9.649 -9.711 3.273 1.00 0.00 H new ATOM 0 HA CYS A 116 8.480 -11.148 5.546 1.00 0.00 H new ATOM 0 HB2 CYS A 116 7.558 -10.080 3.051 1.00 0.00 H new ATOM 0 HB3 CYS A 116 7.188 -11.790 3.143 1.00 0.00 H new ATOM 1800 N GLN A 117 9.823 -12.586 2.881 1.00 0.00 N ATOM 1801 CA GLN A 117 10.440 -13.808 2.395 1.00 0.00 C ATOM 1802 C GLN A 117 11.839 -13.970 2.993 1.00 0.00 C ATOM 1803 O GLN A 117 12.819 -14.107 2.261 1.00 0.00 O ATOM 1804 CB GLN A 117 10.492 -13.824 0.866 1.00 0.00 C ATOM 1805 CG GLN A 117 9.523 -14.862 0.296 1.00 0.00 C ATOM 1806 CD GLN A 117 10.229 -16.198 0.054 1.00 0.00 C ATOM 1807 OE1 GLN A 117 10.788 -16.804 0.953 1.00 0.00 O ATOM 1808 NE2 GLN A 117 10.171 -16.621 -1.205 1.00 0.00 N ATOM 0 H GLN A 117 9.787 -11.827 2.201 1.00 0.00 H new ATOM 0 HA GLN A 117 9.830 -14.653 2.714 1.00 0.00 H new ATOM 0 HB2 GLN A 117 10.241 -12.836 0.480 1.00 0.00 H new ATOM 0 HB3 GLN A 117 11.506 -14.048 0.535 1.00 0.00 H new ATOM 0 HG2 GLN A 117 8.692 -15.006 0.986 1.00 0.00 H new ATOM 0 HG3 GLN A 117 9.101 -14.495 -0.640 1.00 0.00 H new ATOM 0 HE21 GLN A 117 9.686 -16.064 -1.908 1.00 0.00 H new ATOM 0 HE22 GLN A 117 10.611 -17.503 -1.468 1.00 0.00 H new ATOM 1817 N ASN A 118 11.889 -13.950 4.316 1.00 0.00 N ATOM 1818 CA ASN A 118 13.152 -14.094 5.021 1.00 0.00 C ATOM 1819 C ASN A 118 12.918 -14.851 6.329 1.00 0.00 C ATOM 1820 O ASN A 118 13.466 -15.933 6.531 1.00 0.00 O ATOM 1821 CB ASN A 118 13.749 -12.727 5.365 1.00 0.00 C ATOM 1822 CG ASN A 118 15.271 -12.810 5.488 1.00 0.00 C ATOM 1823 OD1 ASN A 118 15.836 -13.828 5.852 1.00 0.00 O ATOM 1824 ND2 ASN A 118 15.903 -11.684 5.168 1.00 0.00 N ATOM 0 H ASN A 118 11.075 -13.836 4.920 1.00 0.00 H new ATOM 0 HA ASN A 118 13.841 -14.636 4.373 1.00 0.00 H new ATOM 0 HB2 ASN A 118 13.482 -12.005 4.594 1.00 0.00 H new ATOM 0 HB3 ASN A 118 13.324 -12.366 6.301 1.00 0.00 H new ATOM 0 HD21 ASN A 118 16.921 -11.638 5.220 1.00 0.00 H new ATOM 0 HD22 ASN A 118 15.370 -10.867 4.871 1.00 0.00 H new ATOM 1831 N ARG A 119 12.102 -14.251 7.184 1.00 0.00 N ATOM 1832 CA ARG A 119 11.789 -14.856 8.468 1.00 0.00 C ATOM 1833 C ARG A 119 10.278 -15.051 8.609 1.00 0.00 C ATOM 1834 O ARG A 119 9.534 -14.881 7.643 1.00 0.00 O ATOM 1835 CB ARG A 119 12.294 -13.988 9.623 1.00 0.00 C ATOM 1836 CG ARG A 119 12.912 -14.851 10.727 1.00 0.00 C ATOM 1837 CD ARG A 119 14.427 -14.965 10.549 1.00 0.00 C ATOM 1838 NE ARG A 119 14.763 -16.236 9.871 1.00 0.00 N ATOM 1839 CZ ARG A 119 14.933 -17.404 10.506 1.00 0.00 C ATOM 1840 NH1 ARG A 119 14.799 -17.468 11.838 1.00 0.00 N ATOM 1841 NH2 ARG A 119 15.236 -18.508 9.808 1.00 0.00 N ATOM 0 H ARG A 119 11.649 -13.353 7.013 1.00 0.00 H new ATOM 0 HA ARG A 119 12.289 -15.824 8.509 1.00 0.00 H new ATOM 0 HB2 ARG A 119 13.035 -13.279 9.253 1.00 0.00 H new ATOM 0 HB3 ARG A 119 11.469 -13.404 10.031 1.00 0.00 H new ATOM 0 HG2 ARG A 119 12.688 -14.417 11.701 1.00 0.00 H new ATOM 0 HG3 ARG A 119 12.464 -15.845 10.710 1.00 0.00 H new ATOM 0 HD2 ARG A 119 14.797 -14.123 9.964 1.00 0.00 H new ATOM 0 HD3 ARG A 119 14.920 -14.920 11.520 1.00 0.00 H new ATOM 0 HE ARG A 119 14.872 -16.223 8.857 1.00 0.00 H new ATOM 0 HH11 ARG A 119 14.568 -16.628 12.368 1.00 0.00 H new ATOM 0 HH12 ARG A 119 14.928 -18.357 12.321 1.00 0.00 H new ATOM 0 HH21 ARG A 119 15.337 -18.459 8.794 1.00 0.00 H new ATOM 0 HH22 ARG A 119 15.365 -19.397 10.291 1.00 0.00 H new ATOM 1855 N ASP A 120 9.869 -15.403 9.818 1.00 0.00 N ATOM 1856 CA ASP A 120 8.459 -15.623 10.098 1.00 0.00 C ATOM 1857 C ASP A 120 7.815 -14.299 10.517 1.00 0.00 C ATOM 1858 O ASP A 120 7.937 -13.883 11.667 1.00 0.00 O ATOM 1859 CB ASP A 120 8.274 -16.623 11.241 1.00 0.00 C ATOM 1860 CG ASP A 120 6.834 -17.086 11.466 1.00 0.00 C ATOM 1861 OD1 ASP A 120 5.964 -16.197 11.591 1.00 0.00 O ATOM 1862 OD2 ASP A 120 6.634 -18.319 11.510 1.00 0.00 O ATOM 0 H ASP A 120 10.489 -15.542 10.616 1.00 0.00 H new ATOM 0 HA ASP A 120 7.993 -16.018 9.195 1.00 0.00 H new ATOM 0 HB2 ASP A 120 8.894 -17.497 11.043 1.00 0.00 H new ATOM 0 HB3 ASP A 120 8.643 -16.172 12.162 1.00 0.00 H new ATOM 1867 N LEU A 121 7.144 -13.676 9.560 1.00 0.00 N ATOM 1868 CA LEU A 121 6.480 -12.410 9.816 1.00 0.00 C ATOM 1869 C LEU A 121 5.002 -12.664 10.118 1.00 0.00 C ATOM 1870 O LEU A 121 4.187 -11.744 10.072 1.00 0.00 O ATOM 1871 CB LEU A 121 6.711 -11.439 8.656 1.00 0.00 C ATOM 1872 CG LEU A 121 6.555 -9.953 8.983 1.00 0.00 C ATOM 1873 CD1 LEU A 121 5.084 -9.533 8.936 1.00 0.00 C ATOM 1874 CD2 LEU A 121 7.205 -9.615 10.326 1.00 0.00 C ATOM 0 H LEU A 121 7.046 -14.024 8.606 1.00 0.00 H new ATOM 0 HA LEU A 121 6.907 -11.929 10.696 1.00 0.00 H new ATOM 0 HB2 LEU A 121 7.716 -11.601 8.267 1.00 0.00 H new ATOM 0 HB3 LEU A 121 6.015 -11.689 7.855 1.00 0.00 H new ATOM 0 HG LEU A 121 7.079 -9.379 8.219 1.00 0.00 H new ATOM 0 HD11 LEU A 121 5.001 -8.472 9.172 1.00 0.00 H new ATOM 0 HD12 LEU A 121 4.685 -9.715 7.938 1.00 0.00 H new ATOM 0 HD13 LEU A 121 4.517 -10.112 9.664 1.00 0.00 H new ATOM 0 HD21 LEU A 121 7.079 -8.552 10.534 1.00 0.00 H new ATOM 0 HD22 LEU A 121 6.732 -10.198 11.116 1.00 0.00 H new ATOM 0 HD23 LEU A 121 8.268 -9.854 10.286 1.00 0.00 H new ATOM 1886 N SER A 122 4.700 -13.919 10.420 1.00 0.00 N ATOM 1887 CA SER A 122 3.335 -14.307 10.729 1.00 0.00 C ATOM 1888 C SER A 122 2.999 -13.931 12.174 1.00 0.00 C ATOM 1889 O SER A 122 1.838 -13.695 12.503 1.00 0.00 O ATOM 1890 CB SER A 122 3.124 -15.806 10.508 1.00 0.00 C ATOM 1891 OG SER A 122 2.294 -16.067 9.380 1.00 0.00 O ATOM 0 H SER A 122 5.378 -14.680 10.457 1.00 0.00 H new ATOM 0 HA SER A 122 2.667 -13.771 10.055 1.00 0.00 H new ATOM 0 HB2 SER A 122 4.090 -16.291 10.368 1.00 0.00 H new ATOM 0 HB3 SER A 122 2.674 -16.244 11.399 1.00 0.00 H new ATOM 0 HG SER A 122 2.185 -17.035 9.271 1.00 0.00 H new ATOM 1897 N GLN A 123 4.036 -13.890 12.998 1.00 0.00 N ATOM 1898 CA GLN A 123 3.865 -13.548 14.400 1.00 0.00 C ATOM 1899 C GLN A 123 3.400 -12.098 14.539 1.00 0.00 C ATOM 1900 O GLN A 123 2.942 -11.688 15.605 1.00 0.00 O ATOM 1901 CB GLN A 123 5.157 -13.788 15.183 1.00 0.00 C ATOM 1902 CG GLN A 123 4.944 -13.544 16.679 1.00 0.00 C ATOM 1903 CD GLN A 123 6.256 -13.698 17.452 1.00 0.00 C ATOM 1904 OE1 GLN A 123 6.732 -14.792 17.707 1.00 0.00 O ATOM 1905 NE2 GLN A 123 6.811 -12.543 17.808 1.00 0.00 N ATOM 0 H GLN A 123 4.998 -14.088 12.722 1.00 0.00 H new ATOM 0 HA GLN A 123 3.097 -14.197 14.822 1.00 0.00 H new ATOM 0 HB2 GLN A 123 5.499 -14.810 15.023 1.00 0.00 H new ATOM 0 HB3 GLN A 123 5.940 -13.128 14.811 1.00 0.00 H new ATOM 0 HG2 GLN A 123 4.542 -12.543 16.834 1.00 0.00 H new ATOM 0 HG3 GLN A 123 4.206 -14.247 17.064 1.00 0.00 H new ATOM 0 HE21 GLN A 123 6.359 -11.663 17.562 1.00 0.00 H new ATOM 0 HE22 GLN A 123 7.689 -12.538 18.327 1.00 0.00 H new ATOM 1914 N TYR A 124 3.534 -11.359 13.447 1.00 0.00 N ATOM 1915 CA TYR A 124 3.134 -9.963 13.434 1.00 0.00 C ATOM 1916 C TYR A 124 1.618 -9.828 13.275 1.00 0.00 C ATOM 1917 O TYR A 124 1.031 -8.833 13.698 1.00 0.00 O ATOM 1918 CB TYR A 124 3.819 -9.338 12.217 1.00 0.00 C ATOM 1919 CG TYR A 124 4.427 -7.959 12.484 1.00 0.00 C ATOM 1920 CD1 TYR A 124 5.420 -7.814 13.432 1.00 0.00 C ATOM 1921 CD2 TYR A 124 3.982 -6.861 11.778 1.00 0.00 C ATOM 1922 CE1 TYR A 124 5.992 -6.517 13.684 1.00 0.00 C ATOM 1923 CE2 TYR A 124 4.553 -5.563 12.030 1.00 0.00 C ATOM 1924 CZ TYR A 124 5.530 -5.455 12.970 1.00 0.00 C ATOM 1925 OH TYR A 124 6.070 -4.230 13.208 1.00 0.00 O ATOM 0 H TYR A 124 3.914 -11.702 12.565 1.00 0.00 H new ATOM 0 HA TYR A 124 3.415 -9.476 14.368 1.00 0.00 H new ATOM 0 HB2 TYR A 124 4.605 -10.009 11.871 1.00 0.00 H new ATOM 0 HB3 TYR A 124 3.093 -9.253 11.408 1.00 0.00 H new ATOM 0 HD1 TYR A 124 5.768 -8.674 13.985 1.00 0.00 H new ATOM 0 HD2 TYR A 124 3.205 -6.974 11.036 1.00 0.00 H new ATOM 0 HE1 TYR A 124 6.770 -6.390 14.423 1.00 0.00 H new ATOM 0 HE2 TYR A 124 4.213 -4.695 11.485 1.00 0.00 H new ATOM 0 HH TYR A 124 5.645 -3.566 12.625 1.00 0.00 H new ATOM 1935 N ILE A 125 1.027 -10.844 12.663 1.00 0.00 N ATOM 1936 CA ILE A 125 -0.409 -10.852 12.442 1.00 0.00 C ATOM 1937 C ILE A 125 -1.075 -11.760 13.479 1.00 0.00 C ATOM 1938 O ILE A 125 -2.184 -11.482 13.932 1.00 0.00 O ATOM 1939 CB ILE A 125 -0.727 -11.234 10.996 1.00 0.00 C ATOM 1940 CG1 ILE A 125 -0.241 -12.651 10.683 1.00 0.00 C ATOM 1941 CG2 ILE A 125 -0.156 -10.203 10.019 1.00 0.00 C ATOM 1942 CD1 ILE A 125 -1.107 -13.300 9.602 1.00 0.00 C ATOM 0 H ILE A 125 1.517 -11.668 12.313 1.00 0.00 H new ATOM 0 HA ILE A 125 -0.821 -9.852 12.581 1.00 0.00 H new ATOM 0 HB ILE A 125 -1.810 -11.231 10.872 1.00 0.00 H new ATOM 0 HG12 ILE A 125 0.797 -12.619 10.352 1.00 0.00 H new ATOM 0 HG13 ILE A 125 -0.268 -13.257 11.589 1.00 0.00 H new ATOM 0 HG21 ILE A 125 -0.396 -10.498 8.997 1.00 0.00 H new ATOM 0 HG22 ILE A 125 -0.591 -9.225 10.226 1.00 0.00 H new ATOM 0 HG23 ILE A 125 0.926 -10.151 10.137 1.00 0.00 H new ATOM 0 HD11 ILE A 125 -0.741 -14.306 9.398 1.00 0.00 H new ATOM 0 HD12 ILE A 125 -2.140 -13.353 9.946 1.00 0.00 H new ATOM 0 HD13 ILE A 125 -1.058 -12.704 8.690 1.00 0.00 H new ATOM 1954 N ARG A 126 -0.370 -12.828 13.823 1.00 0.00 N ATOM 1955 CA ARG A 126 -0.878 -13.779 14.796 1.00 0.00 C ATOM 1956 C ARG A 126 -0.777 -13.198 16.208 1.00 0.00 C ATOM 1957 O ARG A 126 0.309 -12.834 16.657 1.00 0.00 O ATOM 1958 CB ARG A 126 -0.102 -15.096 14.738 1.00 0.00 C ATOM 1959 CG ARG A 126 -0.735 -16.146 15.652 1.00 0.00 C ATOM 1960 CD ARG A 126 -1.851 -16.902 14.929 1.00 0.00 C ATOM 1961 NE ARG A 126 -3.123 -16.761 15.673 1.00 0.00 N ATOM 1962 CZ ARG A 126 -3.782 -17.783 16.236 1.00 0.00 C ATOM 1963 NH1 ARG A 126 -3.295 -19.028 16.142 1.00 0.00 N ATOM 1964 NH2 ARG A 126 -4.929 -17.561 16.892 1.00 0.00 N ATOM 0 H ARG A 126 0.550 -13.055 13.445 1.00 0.00 H new ATOM 0 HA ARG A 126 -1.922 -13.975 14.553 1.00 0.00 H new ATOM 0 HB2 ARG A 126 -0.082 -15.466 13.713 1.00 0.00 H new ATOM 0 HB3 ARG A 126 0.933 -14.926 15.036 1.00 0.00 H new ATOM 0 HG2 ARG A 126 0.028 -16.849 15.987 1.00 0.00 H new ATOM 0 HG3 ARG A 126 -1.136 -15.663 16.543 1.00 0.00 H new ATOM 0 HD2 ARG A 126 -1.967 -16.514 13.917 1.00 0.00 H new ATOM 0 HD3 ARG A 126 -1.588 -17.956 14.839 1.00 0.00 H new ATOM 0 HE ARG A 126 -3.523 -15.827 15.763 1.00 0.00 H new ATOM 0 HH11 ARG A 126 -2.422 -19.198 15.642 1.00 0.00 H new ATOM 0 HH12 ARG A 126 -3.797 -19.806 16.571 1.00 0.00 H new ATOM 0 HH21 ARG A 126 -5.301 -16.614 16.963 1.00 0.00 H new ATOM 0 HH22 ARG A 126 -5.430 -18.339 17.320 1.00 0.00 H new ATOM 1978 N ASN A 127 -1.923 -13.130 16.869 1.00 0.00 N ATOM 1979 CA ASN A 127 -1.977 -12.600 18.221 1.00 0.00 C ATOM 1980 C ASN A 127 -2.033 -11.072 18.163 1.00 0.00 C ATOM 1981 O ASN A 127 -1.553 -10.394 19.071 1.00 0.00 O ATOM 1982 CB ASN A 127 -0.734 -12.997 19.019 1.00 0.00 C ATOM 1983 CG ASN A 127 -1.004 -12.938 20.523 1.00 0.00 C ATOM 1984 OD1 ASN A 127 -2.133 -13.009 20.979 1.00 0.00 O ATOM 1985 ND2 ASN A 127 0.091 -12.806 21.266 1.00 0.00 N ATOM 0 H ASN A 127 -2.822 -13.433 16.494 1.00 0.00 H new ATOM 0 HA ASN A 127 -2.863 -13.008 18.708 1.00 0.00 H new ATOM 0 HB2 ASN A 127 -0.426 -14.005 18.741 1.00 0.00 H new ATOM 0 HB3 ASN A 127 0.091 -12.331 18.768 1.00 0.00 H new ATOM 0 HD21 ASN A 127 0.015 -12.758 22.282 1.00 0.00 H new ATOM 0 HD22 ASN A 127 1.007 -12.753 20.820 1.00 0.00 H new ATOM 1992 N CYS A 128 -2.622 -10.574 17.086 1.00 0.00 N ATOM 1993 CA CYS A 128 -2.747 -9.138 16.898 1.00 0.00 C ATOM 1994 C CYS A 128 -4.133 -8.708 17.386 1.00 0.00 C ATOM 1995 O CYS A 128 -4.299 -7.602 17.896 1.00 0.00 O ATOM 1996 CB CYS A 128 -2.504 -8.735 15.442 1.00 0.00 C ATOM 1997 SG CYS A 128 -1.484 -7.233 15.221 1.00 0.00 S ATOM 0 H CYS A 128 -3.018 -11.139 16.335 1.00 0.00 H new ATOM 0 HA CYS A 128 -1.982 -8.624 17.481 1.00 0.00 H new ATOM 0 HB2 CYS A 128 -2.020 -9.565 14.926 1.00 0.00 H new ATOM 0 HB3 CYS A 128 -3.468 -8.577 14.958 1.00 0.00 H new ATOM 2002 N GLY A 129 -5.090 -9.606 17.210 1.00 0.00 N ATOM 2003 CA GLY A 129 -6.456 -9.334 17.626 1.00 0.00 C ATOM 2004 C GLY A 129 -7.383 -9.200 16.415 1.00 0.00 C ATOM 2005 O GLY A 129 -8.280 -8.360 16.406 1.00 0.00 O ATOM 0 H GLY A 129 -4.947 -10.522 16.785 1.00 0.00 H new ATOM 0 HA2 GLY A 129 -6.810 -10.138 18.272 1.00 0.00 H new ATOM 0 HA3 GLY A 129 -6.485 -8.416 18.214 1.00 0.00 H new ATOM 2009 N VAL A 130 -7.131 -10.041 15.423 1.00 0.00 N ATOM 2010 CA VAL A 130 -7.930 -10.028 14.210 1.00 0.00 C ATOM 2011 C VAL A 130 -9.114 -10.983 14.374 1.00 0.00 C ATOM 2012 O VAL A 130 -8.992 -12.025 15.016 1.00 0.00 O ATOM 2013 CB VAL A 130 -7.054 -10.364 13.001 1.00 0.00 C ATOM 2014 CG1 VAL A 130 -7.910 -10.765 11.798 1.00 0.00 C ATOM 2015 CG2 VAL A 130 -6.129 -9.197 12.653 1.00 0.00 C ATOM 0 H VAL A 130 -6.385 -10.736 15.435 1.00 0.00 H new ATOM 0 HA VAL A 130 -8.337 -9.033 14.032 1.00 0.00 H new ATOM 0 HB VAL A 130 -6.430 -11.217 13.266 1.00 0.00 H new ATOM 0 HG11 VAL A 130 -7.263 -10.999 10.953 1.00 0.00 H new ATOM 0 HG12 VAL A 130 -8.506 -11.642 12.052 1.00 0.00 H new ATOM 0 HG13 VAL A 130 -8.572 -9.941 11.531 1.00 0.00 H new ATOM 0 HG21 VAL A 130 -5.518 -9.462 11.790 1.00 0.00 H new ATOM 0 HG22 VAL A 130 -6.727 -8.317 12.417 1.00 0.00 H new ATOM 0 HG23 VAL A 130 -5.482 -8.979 13.503 1.00 0.00 H new