USER MOD reduce.3.24.130724 H: found=0, std=0, add=709, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 708 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 72 THR OG1 : rot -160:sc= 0.0575 USER MOD Set 1.2: A 74 ASN : amide:sc=-0.00258 X(o=0.055,f=0.5) USER MOD Set 2.1: A 55 GLN : amide:sc= 0 X(o=-0.011,f=-0.18) USER MOD Set 2.2: A 57 ASN :FLIP amide:sc= -0.011 F(o=-1,f=-0.011) USER MOD Single : A 1 GLY N :NH3+ -145:sc= 0.0647 (180deg=0) USER MOD Single : A 2 HIS : no HD1:sc= 0 X(o=0,f=-0.0091) USER MOD Single : A 3 MET CE :methyl 146:sc= -0.371 (180deg=-2.39!) USER MOD Single : A 12 LYS NZ :NH3+ -162:sc= 2.95 (180deg=1.99) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 24 MET CE :methyl -161:sc= -0.187 (180deg=-0.67) USER MOD Single : A 34 LYS NZ :NH3+ -154:sc= 1.2 (180deg=0.756) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 THR OG1 : rot 180:sc= -0.997 USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 GLN : amide:sc= -0.414 X(o=-0.41,f=-0.42) USER MOD Single : A 59 GLN : amide:sc= -0.104 K(o=-0.1,f=-3.9!) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 73 GLN :FLIP amide:sc= -0.0395 F(o=-1.4,f=-0.039) USER MOD Single : A 78 THR OG1 : rot 99:sc= 1.23 USER MOD Single : A 82 ASN : amide:sc= 1.11 K(o=1.1,f=0) USER MOD Single : A 83 THR OG1 : rot -107:sc= 1.24 USER MOD Single : A 84 LYS NZ :NH3+ -128:sc= -0.0894 (180deg=-0.457) USER MOD Single : A 86 ASN : amide:sc= 0.995 K(o=0.99,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 17.039 -12.968 -0.811 1.00 0.00 N ATOM 2 CA GLY A 1 15.934 -13.880 -1.115 1.00 0.00 C ATOM 3 C GLY A 1 15.058 -13.327 -2.216 1.00 0.00 C ATOM 4 O GLY A 1 15.539 -12.578 -3.068 1.00 0.00 O ATOM 0 H1 GLY A 1 17.885 -13.519 -0.560 1.00 0.00 H new ATOM 0 H2 GLY A 1 17.243 -12.380 -1.644 1.00 0.00 H new ATOM 0 H3 GLY A 1 16.775 -12.357 -0.012 1.00 0.00 H new ATOM 0 HA2 GLY A 1 16.331 -14.850 -1.415 1.00 0.00 H new ATOM 0 HA3 GLY A 1 15.336 -14.044 -0.218 1.00 0.00 H new ATOM 10 N HIS A 2 13.786 -13.674 -2.210 1.00 0.00 N ATOM 11 CA HIS A 2 12.855 -13.194 -3.218 1.00 0.00 C ATOM 12 C HIS A 2 11.615 -12.601 -2.556 1.00 0.00 C ATOM 13 O HIS A 2 10.978 -13.243 -1.724 1.00 0.00 O ATOM 14 CB HIS A 2 12.456 -14.330 -4.187 1.00 0.00 C ATOM 15 CG HIS A 2 11.468 -13.914 -5.250 1.00 0.00 C ATOM 16 ND1 HIS A 2 10.103 -14.090 -5.143 1.00 0.00 N ATOM 17 CD2 HIS A 2 11.671 -13.294 -6.437 1.00 0.00 C ATOM 18 CE1 HIS A 2 9.531 -13.584 -6.232 1.00 0.00 C ATOM 19 NE2 HIS A 2 10.440 -13.085 -7.059 1.00 0.00 N ATOM 0 H HIS A 2 13.369 -14.291 -1.513 1.00 0.00 H new ATOM 0 HA HIS A 2 13.351 -12.414 -3.795 1.00 0.00 H new ATOM 0 HB2 HIS A 2 13.355 -14.713 -4.671 1.00 0.00 H new ATOM 0 HB3 HIS A 2 12.030 -15.151 -3.611 1.00 0.00 H new ATOM 0 HD2 HIS A 2 12.632 -13.007 -6.838 1.00 0.00 H new ATOM 0 HE1 HIS A 2 8.467 -13.580 -6.418 1.00 0.00 H new ATOM 0 HE2 HIS A 2 10.274 -12.641 -7.962 1.00 0.00 H new ATOM 27 N MET A 3 11.291 -11.398 -2.925 1.00 0.00 N ATOM 28 CA MET A 3 10.133 -10.717 -2.399 1.00 0.00 C ATOM 29 C MET A 3 8.918 -10.980 -3.295 1.00 0.00 C ATOM 30 O MET A 3 8.986 -10.804 -4.506 1.00 0.00 O ATOM 31 CB MET A 3 10.439 -9.220 -2.289 1.00 0.00 C ATOM 32 CG MET A 3 9.293 -8.355 -1.802 1.00 0.00 C ATOM 33 SD MET A 3 9.775 -6.620 -1.590 1.00 0.00 S ATOM 34 CE MET A 3 10.429 -6.234 -3.225 1.00 0.00 C ATOM 0 H MET A 3 11.823 -10.853 -3.604 1.00 0.00 H new ATOM 0 HA MET A 3 9.896 -11.095 -1.405 1.00 0.00 H new ATOM 0 HB2 MET A 3 11.284 -9.088 -1.613 1.00 0.00 H new ATOM 0 HB3 MET A 3 10.754 -8.858 -3.268 1.00 0.00 H new ATOM 0 HG2 MET A 3 8.469 -8.416 -2.513 1.00 0.00 H new ATOM 0 HG3 MET A 3 8.925 -8.745 -0.853 1.00 0.00 H new ATOM 0 HE1 MET A 3 10.207 -5.195 -3.470 1.00 0.00 H new ATOM 0 HE2 MET A 3 11.508 -6.386 -3.230 1.00 0.00 H new ATOM 0 HE3 MET A 3 9.967 -6.888 -3.965 1.00 0.00 H new ATOM 44 N GLU A 4 7.827 -11.408 -2.693 1.00 0.00 N ATOM 45 CA GLU A 4 6.595 -11.719 -3.415 1.00 0.00 C ATOM 46 C GLU A 4 5.761 -10.480 -3.533 1.00 0.00 C ATOM 47 O GLU A 4 5.267 -9.997 -2.537 1.00 0.00 O ATOM 48 CB GLU A 4 5.768 -12.779 -2.653 1.00 0.00 C ATOM 49 CG GLU A 4 4.433 -13.156 -3.316 1.00 0.00 C ATOM 50 CD GLU A 4 3.537 -14.022 -2.431 1.00 0.00 C ATOM 51 OE1 GLU A 4 3.931 -15.146 -2.095 1.00 0.00 O ATOM 52 OE2 GLU A 4 2.411 -13.597 -2.085 1.00 0.00 O ATOM 0 H GLU A 4 7.763 -11.553 -1.685 1.00 0.00 H new ATOM 0 HA GLU A 4 6.865 -12.102 -4.399 1.00 0.00 H new ATOM 0 HB2 GLU A 4 6.371 -13.681 -2.545 1.00 0.00 H new ATOM 0 HB3 GLU A 4 5.566 -12.408 -1.648 1.00 0.00 H new ATOM 0 HG2 GLU A 4 3.897 -12.244 -3.580 1.00 0.00 H new ATOM 0 HG3 GLU A 4 4.635 -13.688 -4.246 1.00 0.00 H new ATOM 59 N LEU A 5 5.650 -9.941 -4.714 1.00 0.00 N ATOM 60 CA LEU A 5 4.765 -8.837 -4.930 1.00 0.00 C ATOM 61 C LEU A 5 3.433 -9.393 -5.357 1.00 0.00 C ATOM 62 O LEU A 5 3.361 -10.221 -6.274 1.00 0.00 O ATOM 63 CB LEU A 5 5.306 -7.847 -5.977 1.00 0.00 C ATOM 64 CG LEU A 5 6.680 -7.220 -5.691 1.00 0.00 C ATOM 65 CD1 LEU A 5 6.781 -6.762 -4.257 1.00 0.00 C ATOM 66 CD2 LEU A 5 7.835 -8.141 -6.068 1.00 0.00 C ATOM 0 H LEU A 5 6.162 -10.250 -5.540 1.00 0.00 H new ATOM 0 HA LEU A 5 4.668 -8.270 -4.004 1.00 0.00 H new ATOM 0 HB2 LEU A 5 5.360 -8.362 -6.936 1.00 0.00 H new ATOM 0 HB3 LEU A 5 4.581 -7.041 -6.089 1.00 0.00 H new ATOM 0 HG LEU A 5 6.766 -6.342 -6.332 1.00 0.00 H new ATOM 0 HD11 LEU A 5 7.763 -6.323 -4.084 1.00 0.00 H new ATOM 0 HD12 LEU A 5 6.010 -6.017 -4.058 1.00 0.00 H new ATOM 0 HD13 LEU A 5 6.642 -7.615 -3.592 1.00 0.00 H new ATOM 0 HD21 LEU A 5 8.781 -7.648 -5.845 1.00 0.00 H new ATOM 0 HD22 LEU A 5 7.764 -9.066 -5.496 1.00 0.00 H new ATOM 0 HD23 LEU A 5 7.786 -8.368 -7.133 1.00 0.00 H new ATOM 78 N PHE A 6 2.406 -8.991 -4.701 1.00 0.00 N ATOM 79 CA PHE A 6 1.109 -9.512 -4.944 1.00 0.00 C ATOM 80 C PHE A 6 0.055 -8.423 -5.062 1.00 0.00 C ATOM 81 O PHE A 6 0.053 -7.456 -4.313 1.00 0.00 O ATOM 82 CB PHE A 6 0.721 -10.528 -3.868 1.00 0.00 C ATOM 83 CG PHE A 6 0.963 -10.080 -2.455 1.00 0.00 C ATOM 84 CD1 PHE A 6 0.043 -9.286 -1.818 1.00 0.00 C ATOM 85 CD2 PHE A 6 2.106 -10.450 -1.778 1.00 0.00 C ATOM 86 CE1 PHE A 6 0.247 -8.860 -0.521 1.00 0.00 C ATOM 87 CE2 PHE A 6 2.327 -10.036 -0.483 1.00 0.00 C ATOM 88 CZ PHE A 6 1.395 -9.235 0.150 1.00 0.00 C ATOM 0 H PHE A 6 2.442 -8.281 -3.970 1.00 0.00 H new ATOM 0 HA PHE A 6 1.149 -10.019 -5.908 1.00 0.00 H new ATOM 0 HB2 PHE A 6 -0.336 -10.768 -3.981 1.00 0.00 H new ATOM 0 HB3 PHE A 6 1.278 -11.449 -4.042 1.00 0.00 H new ATOM 0 HD1 PHE A 6 -0.855 -8.990 -2.340 1.00 0.00 H new ATOM 0 HD2 PHE A 6 2.838 -11.073 -2.270 1.00 0.00 H new ATOM 0 HE1 PHE A 6 -0.487 -8.236 -0.033 1.00 0.00 H new ATOM 0 HE2 PHE A 6 3.225 -10.336 0.036 1.00 0.00 H new ATOM 0 HZ PHE A 6 1.563 -8.904 1.164 1.00 0.00 H new ATOM 98 N PRO A 7 -0.826 -8.572 -6.022 1.00 0.00 N ATOM 99 CA PRO A 7 -1.940 -7.673 -6.229 1.00 0.00 C ATOM 100 C PRO A 7 -3.129 -8.024 -5.353 1.00 0.00 C ATOM 101 O PRO A 7 -3.649 -9.147 -5.374 1.00 0.00 O ATOM 102 CB PRO A 7 -2.305 -7.912 -7.666 1.00 0.00 C ATOM 103 CG PRO A 7 -1.948 -9.350 -7.907 1.00 0.00 C ATOM 104 CD PRO A 7 -0.798 -9.650 -7.007 1.00 0.00 C ATOM 0 HA PRO A 7 -1.679 -6.642 -5.988 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -3.365 -7.731 -7.842 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -1.753 -7.248 -8.332 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -2.793 -10.003 -7.689 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -1.679 -9.515 -8.950 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -0.906 -10.626 -6.533 1.00 0.00 H new ATOM 0 HD3 PRO A 7 0.144 -9.665 -7.555 1.00 0.00 H new ATOM 112 N VAL A 8 -3.528 -7.112 -4.571 1.00 0.00 N ATOM 113 CA VAL A 8 -4.683 -7.296 -3.769 1.00 0.00 C ATOM 114 C VAL A 8 -5.741 -6.370 -4.262 1.00 0.00 C ATOM 115 O VAL A 8 -5.701 -5.180 -3.979 1.00 0.00 O ATOM 116 CB VAL A 8 -4.434 -7.024 -2.270 1.00 0.00 C ATOM 117 CG1 VAL A 8 -5.662 -7.370 -1.442 1.00 0.00 C ATOM 118 CG2 VAL A 8 -3.216 -7.765 -1.776 1.00 0.00 C ATOM 0 H VAL A 8 -3.069 -6.208 -4.459 1.00 0.00 H new ATOM 0 HA VAL A 8 -4.982 -8.341 -3.853 1.00 0.00 H new ATOM 0 HB VAL A 8 -4.242 -5.958 -2.152 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -5.460 -7.169 -0.390 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -6.506 -6.764 -1.772 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -5.902 -8.426 -1.570 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -3.066 -7.554 -0.717 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -3.361 -8.836 -1.915 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -2.340 -7.441 -2.338 1.00 0.00 H new ATOM 128 N GLU A 9 -6.626 -6.882 -5.053 1.00 0.00 N ATOM 129 CA GLU A 9 -7.715 -6.100 -5.524 1.00 0.00 C ATOM 130 C GLU A 9 -8.775 -6.140 -4.457 1.00 0.00 C ATOM 131 O GLU A 9 -9.459 -7.153 -4.282 1.00 0.00 O ATOM 132 CB GLU A 9 -8.229 -6.621 -6.866 1.00 0.00 C ATOM 133 CG GLU A 9 -9.220 -5.700 -7.566 1.00 0.00 C ATOM 134 CD GLU A 9 -9.589 -6.202 -8.935 1.00 0.00 C ATOM 135 OE1 GLU A 9 -8.732 -6.167 -9.846 1.00 0.00 O ATOM 136 OE2 GLU A 9 -10.735 -6.641 -9.139 1.00 0.00 O ATOM 0 H GLU A 9 -6.613 -7.846 -5.387 1.00 0.00 H new ATOM 0 HA GLU A 9 -7.407 -5.070 -5.707 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -7.378 -6.787 -7.527 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -8.703 -7.590 -6.707 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -10.121 -5.609 -6.959 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -8.790 -4.702 -7.650 1.00 0.00 H new ATOM 143 N LEU A 10 -8.848 -5.082 -3.701 1.00 0.00 N ATOM 144 CA LEU A 10 -9.741 -5.007 -2.598 1.00 0.00 C ATOM 145 C LEU A 10 -10.994 -4.368 -3.107 1.00 0.00 C ATOM 146 O LEU A 10 -10.917 -3.389 -3.835 1.00 0.00 O ATOM 147 CB LEU A 10 -9.137 -4.108 -1.504 1.00 0.00 C ATOM 148 CG LEU A 10 -9.380 -4.500 -0.031 1.00 0.00 C ATOM 149 CD1 LEU A 10 -10.854 -4.747 0.277 1.00 0.00 C ATOM 150 CD2 LEU A 10 -8.531 -5.693 0.341 1.00 0.00 C ATOM 0 H LEU A 10 -8.282 -4.245 -3.840 1.00 0.00 H new ATOM 0 HA LEU A 10 -9.930 -5.996 -2.179 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -8.060 -4.064 -1.665 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -9.523 -3.099 -1.650 1.00 0.00 H new ATOM 0 HG LEU A 10 -9.080 -3.652 0.585 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -10.966 -5.019 1.327 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -11.425 -3.841 0.074 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -11.226 -5.558 -0.350 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -8.713 -5.958 1.382 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -8.789 -6.537 -0.299 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -7.478 -5.446 0.208 1.00 0.00 H new ATOM 162 N GLU A 11 -12.114 -4.920 -2.781 1.00 0.00 N ATOM 163 CA GLU A 11 -13.352 -4.333 -3.149 1.00 0.00 C ATOM 164 C GLU A 11 -13.933 -3.605 -1.958 1.00 0.00 C ATOM 165 O GLU A 11 -14.564 -4.197 -1.070 1.00 0.00 O ATOM 166 CB GLU A 11 -14.303 -5.370 -3.734 1.00 0.00 C ATOM 167 CG GLU A 11 -15.624 -4.802 -4.206 1.00 0.00 C ATOM 168 CD GLU A 11 -16.344 -5.742 -5.120 1.00 0.00 C ATOM 169 OE1 GLU A 11 -17.110 -6.616 -4.646 1.00 0.00 O ATOM 170 OE2 GLU A 11 -16.172 -5.624 -6.343 1.00 0.00 O ATOM 0 H GLU A 11 -12.194 -5.789 -2.253 1.00 0.00 H new ATOM 0 HA GLU A 11 -13.190 -3.601 -3.941 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -13.812 -5.865 -4.572 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -14.497 -6.135 -2.982 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -16.253 -4.582 -3.343 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -15.449 -3.858 -4.722 1.00 0.00 H new ATOM 177 N LYS A 12 -13.623 -2.348 -1.898 1.00 0.00 N ATOM 178 CA LYS A 12 -14.060 -1.487 -0.856 1.00 0.00 C ATOM 179 C LYS A 12 -15.343 -0.756 -1.185 1.00 0.00 C ATOM 180 O LYS A 12 -16.001 -0.990 -2.222 1.00 0.00 O ATOM 181 CB LYS A 12 -12.963 -0.474 -0.480 1.00 0.00 C ATOM 182 CG LYS A 12 -11.913 -0.999 0.490 1.00 0.00 C ATOM 183 CD LYS A 12 -12.547 -1.486 1.785 1.00 0.00 C ATOM 184 CE LYS A 12 -12.130 -0.714 3.027 1.00 0.00 C ATOM 185 NZ LYS A 12 -12.643 0.691 2.998 1.00 0.00 N ATOM 0 H LYS A 12 -13.042 -1.884 -2.596 1.00 0.00 H new ATOM 0 HA LYS A 12 -14.268 -2.133 -0.003 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -12.463 -0.146 -1.392 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -13.435 0.405 -0.041 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -11.361 -1.815 0.024 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -11.192 -0.211 0.710 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -13.631 -1.430 1.686 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -12.293 -2.537 1.925 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -12.506 -1.221 3.915 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -11.043 -0.704 3.102 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -12.108 1.270 3.676 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -12.528 1.083 2.042 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -13.651 0.698 3.256 1.00 0.00 H new ATOM 199 N ASP A 13 -15.685 0.099 -0.267 1.00 0.00 N ATOM 200 CA ASP A 13 -16.825 0.968 -0.309 1.00 0.00 C ATOM 201 C ASP A 13 -16.566 2.151 -1.225 1.00 0.00 C ATOM 202 O ASP A 13 -15.467 2.324 -1.747 1.00 0.00 O ATOM 203 CB ASP A 13 -17.119 1.457 1.112 1.00 0.00 C ATOM 204 CG ASP A 13 -15.860 1.942 1.822 1.00 0.00 C ATOM 205 OD1 ASP A 13 -15.521 3.126 1.727 1.00 0.00 O ATOM 206 OD2 ASP A 13 -15.169 1.102 2.476 1.00 0.00 O ATOM 0 H ASP A 13 -15.140 0.216 0.587 1.00 0.00 H new ATOM 0 HA ASP A 13 -17.683 0.422 -0.702 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -17.848 2.267 1.073 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -17.571 0.649 1.687 1.00 0.00 H new ATOM 211 N GLU A 14 -17.573 2.975 -1.390 1.00 0.00 N ATOM 212 CA GLU A 14 -17.501 4.128 -2.288 1.00 0.00 C ATOM 213 C GLU A 14 -16.832 5.324 -1.615 1.00 0.00 C ATOM 214 O GLU A 14 -16.566 6.363 -2.250 1.00 0.00 O ATOM 215 CB GLU A 14 -18.897 4.472 -2.795 1.00 0.00 C ATOM 216 CG GLU A 14 -19.878 4.865 -1.702 1.00 0.00 C ATOM 217 CD GLU A 14 -21.297 4.631 -2.122 1.00 0.00 C ATOM 218 OE1 GLU A 14 -21.774 3.490 -1.990 1.00 0.00 O ATOM 219 OE2 GLU A 14 -21.962 5.565 -2.609 1.00 0.00 O ATOM 0 H GLU A 14 -18.468 2.875 -0.912 1.00 0.00 H new ATOM 0 HA GLU A 14 -16.877 3.866 -3.143 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -18.820 5.291 -3.510 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -19.297 3.614 -3.335 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -19.666 4.292 -0.799 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -19.741 5.917 -1.451 1.00 0.00 H new ATOM 226 N ASP A 15 -16.563 5.185 -0.344 1.00 0.00 N ATOM 227 CA ASP A 15 -15.856 6.205 0.385 1.00 0.00 C ATOM 228 C ASP A 15 -14.379 6.027 0.120 1.00 0.00 C ATOM 229 O ASP A 15 -13.641 7.003 -0.098 1.00 0.00 O ATOM 230 CB ASP A 15 -16.146 6.124 1.881 1.00 0.00 C ATOM 231 CG ASP A 15 -15.384 7.152 2.686 1.00 0.00 C ATOM 232 OD1 ASP A 15 -14.189 6.917 3.011 1.00 0.00 O ATOM 233 OD2 ASP A 15 -15.976 8.216 3.039 1.00 0.00 O ATOM 0 H ASP A 15 -16.825 4.370 0.211 1.00 0.00 H new ATOM 0 HA ASP A 15 -16.187 7.188 0.051 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -17.215 6.260 2.046 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -15.892 5.127 2.241 1.00 0.00 H new ATOM 238 N GLY A 16 -13.948 4.790 0.126 1.00 0.00 N ATOM 239 CA GLY A 16 -12.597 4.504 -0.206 1.00 0.00 C ATOM 240 C GLY A 16 -11.986 3.471 0.683 1.00 0.00 C ATOM 241 O GLY A 16 -12.510 2.366 0.838 1.00 0.00 O ATOM 0 H GLY A 16 -14.519 3.977 0.357 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -12.547 4.162 -1.240 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -12.011 5.421 -0.145 1.00 0.00 H new ATOM 245 N LEU A 17 -10.905 3.818 1.311 1.00 0.00 N ATOM 246 CA LEU A 17 -10.161 2.849 2.065 1.00 0.00 C ATOM 247 C LEU A 17 -10.315 3.091 3.520 1.00 0.00 C ATOM 248 O LEU A 17 -10.539 2.151 4.287 1.00 0.00 O ATOM 249 CB LEU A 17 -8.687 2.927 1.739 1.00 0.00 C ATOM 250 CG LEU A 17 -8.330 3.100 0.289 1.00 0.00 C ATOM 251 CD1 LEU A 17 -6.840 3.086 0.113 1.00 0.00 C ATOM 252 CD2 LEU A 17 -9.002 2.067 -0.590 1.00 0.00 C ATOM 0 H LEU A 17 -10.517 4.761 1.319 1.00 0.00 H new ATOM 0 HA LEU A 17 -10.551 1.866 1.800 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -8.257 3.758 2.298 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -8.208 2.018 2.102 1.00 0.00 H new ATOM 0 HG LEU A 17 -8.705 4.072 -0.032 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -6.597 3.212 -0.942 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -6.398 3.900 0.687 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -6.441 2.135 0.466 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -8.715 2.231 -1.629 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -8.692 1.069 -0.281 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -10.084 2.156 -0.494 1.00 0.00 H new ATOM 264 N GLY A 18 -10.198 4.345 3.898 1.00 0.00 N ATOM 265 CA GLY A 18 -10.204 4.711 5.276 1.00 0.00 C ATOM 266 C GLY A 18 -8.931 4.262 5.952 1.00 0.00 C ATOM 267 O GLY A 18 -8.922 3.976 7.139 1.00 0.00 O ATOM 0 H GLY A 18 -10.097 5.129 3.253 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -10.310 5.792 5.370 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -11.064 4.262 5.773 1.00 0.00 H new ATOM 271 N ILE A 19 -7.844 4.174 5.187 1.00 0.00 N ATOM 272 CA ILE A 19 -6.584 3.707 5.757 1.00 0.00 C ATOM 273 C ILE A 19 -5.608 4.864 5.933 1.00 0.00 C ATOM 274 O ILE A 19 -5.951 6.022 5.677 1.00 0.00 O ATOM 275 CB ILE A 19 -5.921 2.568 4.922 1.00 0.00 C ATOM 276 CG1 ILE A 19 -5.343 3.096 3.608 1.00 0.00 C ATOM 277 CG2 ILE A 19 -6.945 1.477 4.638 1.00 0.00 C ATOM 278 CD1 ILE A 19 -4.576 2.055 2.814 1.00 0.00 C ATOM 0 H ILE A 19 -7.809 4.413 4.196 1.00 0.00 H new ATOM 0 HA ILE A 19 -6.828 3.287 6.733 1.00 0.00 H new ATOM 0 HB ILE A 19 -5.098 2.157 5.506 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -6.156 3.482 2.993 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -4.681 3.935 3.824 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -6.479 0.683 4.055 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -7.312 1.068 5.580 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -7.779 1.898 4.076 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -4.197 2.504 1.896 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -3.741 1.686 3.409 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -5.239 1.226 2.566 1.00 0.00 H new ATOM 290 N SER A 20 -4.420 4.560 6.379 1.00 0.00 N ATOM 291 CA SER A 20 -3.397 5.545 6.622 1.00 0.00 C ATOM 292 C SER A 20 -2.029 4.953 6.262 1.00 0.00 C ATOM 293 O SER A 20 -1.841 3.735 6.345 1.00 0.00 O ATOM 294 CB SER A 20 -3.456 5.937 8.105 1.00 0.00 C ATOM 295 OG SER A 20 -4.741 6.460 8.445 1.00 0.00 O ATOM 0 H SER A 20 -4.129 3.605 6.588 1.00 0.00 H new ATOM 0 HA SER A 20 -3.554 6.432 6.009 1.00 0.00 H new ATOM 0 HB2 SER A 20 -3.238 5.067 8.724 1.00 0.00 H new ATOM 0 HB3 SER A 20 -2.688 6.681 8.319 1.00 0.00 H new ATOM 0 HG SER A 20 -4.755 6.701 9.395 1.00 0.00 H new ATOM 301 N ILE A 21 -1.095 5.796 5.873 1.00 0.00 N ATOM 302 CA ILE A 21 0.244 5.371 5.475 1.00 0.00 C ATOM 303 C ILE A 21 1.270 6.110 6.298 1.00 0.00 C ATOM 304 O ILE A 21 0.950 7.129 6.928 1.00 0.00 O ATOM 305 CB ILE A 21 0.502 5.642 3.958 1.00 0.00 C ATOM 306 CG1 ILE A 21 0.374 7.145 3.609 1.00 0.00 C ATOM 307 CG2 ILE A 21 -0.421 4.802 3.084 1.00 0.00 C ATOM 308 CD1 ILE A 21 1.684 7.926 3.644 1.00 0.00 C ATOM 0 H ILE A 21 -1.238 6.805 5.821 1.00 0.00 H new ATOM 0 HA ILE A 21 0.325 4.298 5.647 1.00 0.00 H new ATOM 0 HB ILE A 21 1.530 5.346 3.751 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -0.060 7.236 2.613 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -0.326 7.607 4.305 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -0.218 5.012 2.034 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -0.247 3.744 3.283 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -1.459 5.048 3.309 1.00 0.00 H new ATOM 0 HD11 ILE A 21 1.494 8.968 3.386 1.00 0.00 H new ATOM 0 HD12 ILE A 21 2.113 7.872 4.645 1.00 0.00 H new ATOM 0 HD13 ILE A 21 2.383 7.497 2.926 1.00 0.00 H new ATOM 320 N ILE A 22 2.469 5.614 6.322 1.00 0.00 N ATOM 321 CA ILE A 22 3.527 6.270 7.010 1.00 0.00 C ATOM 322 C ILE A 22 4.765 6.291 6.139 1.00 0.00 C ATOM 323 O ILE A 22 5.135 5.269 5.553 1.00 0.00 O ATOM 324 CB ILE A 22 3.803 5.638 8.407 1.00 0.00 C ATOM 325 CG1 ILE A 22 4.917 6.385 9.157 1.00 0.00 C ATOM 326 CG2 ILE A 22 4.108 4.152 8.307 1.00 0.00 C ATOM 327 CD1 ILE A 22 5.207 5.835 10.540 1.00 0.00 C ATOM 0 H ILE A 22 2.737 4.743 5.864 1.00 0.00 H new ATOM 0 HA ILE A 22 3.224 7.299 7.206 1.00 0.00 H new ATOM 0 HB ILE A 22 2.887 5.743 8.988 1.00 0.00 H new ATOM 0 HG12 ILE A 22 5.830 6.346 8.563 1.00 0.00 H new ATOM 0 HG13 ILE A 22 4.640 7.435 9.246 1.00 0.00 H new ATOM 0 HG21 ILE A 22 4.294 3.751 9.303 1.00 0.00 H new ATOM 0 HG22 ILE A 22 3.258 3.635 7.861 1.00 0.00 H new ATOM 0 HG23 ILE A 22 4.991 4.003 7.685 1.00 0.00 H new ATOM 0 HD11 ILE A 22 6.005 6.416 11.003 1.00 0.00 H new ATOM 0 HD12 ILE A 22 4.308 5.900 11.153 1.00 0.00 H new ATOM 0 HD13 ILE A 22 5.517 4.793 10.460 1.00 0.00 H new ATOM 339 N GLY A 23 5.359 7.445 6.004 1.00 0.00 N ATOM 340 CA GLY A 23 6.519 7.567 5.183 1.00 0.00 C ATOM 341 C GLY A 23 7.765 7.520 5.983 1.00 0.00 C ATOM 342 O GLY A 23 8.093 8.467 6.689 1.00 0.00 O ATOM 0 H GLY A 23 5.055 8.309 6.453 1.00 0.00 H new ATOM 0 HA2 GLY A 23 6.529 6.764 4.446 1.00 0.00 H new ATOM 0 HA3 GLY A 23 6.477 8.506 4.631 1.00 0.00 H new ATOM 346 N MET A 24 8.433 6.414 5.917 1.00 0.00 N ATOM 347 CA MET A 24 9.661 6.217 6.651 1.00 0.00 C ATOM 348 C MET A 24 10.621 5.327 5.898 1.00 0.00 C ATOM 349 O MET A 24 10.506 4.107 5.940 1.00 0.00 O ATOM 350 CB MET A 24 9.410 5.719 8.093 1.00 0.00 C ATOM 351 CG MET A 24 8.480 4.519 8.216 1.00 0.00 C ATOM 352 SD MET A 24 8.325 3.913 9.918 1.00 0.00 S ATOM 353 CE MET A 24 10.020 3.393 10.258 1.00 0.00 C ATOM 0 H MET A 24 8.149 5.613 5.353 1.00 0.00 H new ATOM 0 HA MET A 24 10.136 7.194 6.744 1.00 0.00 H new ATOM 0 HB2 MET A 24 10.369 5.462 8.543 1.00 0.00 H new ATOM 0 HB3 MET A 24 8.995 6.541 8.676 1.00 0.00 H new ATOM 0 HG2 MET A 24 7.493 4.792 7.842 1.00 0.00 H new ATOM 0 HG3 MET A 24 8.850 3.713 7.582 1.00 0.00 H new ATOM 0 HE1 MET A 24 10.027 2.706 11.104 1.00 0.00 H new ATOM 0 HE2 MET A 24 10.430 2.892 9.381 1.00 0.00 H new ATOM 0 HE3 MET A 24 10.628 4.266 10.494 1.00 0.00 H new ATOM 363 N GLY A 25 11.546 5.964 5.180 1.00 0.00 N ATOM 364 CA GLY A 25 12.540 5.266 4.372 1.00 0.00 C ATOM 365 C GLY A 25 13.290 4.219 5.163 1.00 0.00 C ATOM 366 O GLY A 25 14.125 4.549 6.023 1.00 0.00 O ATOM 0 H GLY A 25 11.625 6.980 5.144 1.00 0.00 H new ATOM 0 HA2 GLY A 25 12.047 4.793 3.523 1.00 0.00 H new ATOM 0 HA3 GLY A 25 13.248 5.989 3.967 1.00 0.00 H new ATOM 370 N VAL A 26 12.988 2.970 4.879 1.00 0.00 N ATOM 371 CA VAL A 26 13.519 1.850 5.622 1.00 0.00 C ATOM 372 C VAL A 26 14.997 1.535 5.313 1.00 0.00 C ATOM 373 O VAL A 26 15.336 0.781 4.373 1.00 0.00 O ATOM 374 CB VAL A 26 12.599 0.578 5.532 1.00 0.00 C ATOM 375 CG1 VAL A 26 12.393 0.102 4.097 1.00 0.00 C ATOM 376 CG2 VAL A 26 13.117 -0.553 6.412 1.00 0.00 C ATOM 0 H VAL A 26 12.362 2.703 4.120 1.00 0.00 H new ATOM 0 HA VAL A 26 13.511 2.171 6.664 1.00 0.00 H new ATOM 0 HB VAL A 26 11.623 0.881 5.910 1.00 0.00 H new ATOM 0 HG11 VAL A 26 11.750 -0.778 4.094 1.00 0.00 H new ATOM 0 HG12 VAL A 26 11.924 0.895 3.514 1.00 0.00 H new ATOM 0 HG13 VAL A 26 13.357 -0.151 3.656 1.00 0.00 H new ATOM 0 HG21 VAL A 26 12.456 -1.415 6.324 1.00 0.00 H new ATOM 0 HG22 VAL A 26 14.121 -0.832 6.092 1.00 0.00 H new ATOM 0 HG23 VAL A 26 13.145 -0.222 7.450 1.00 0.00 H new ATOM 386 N GLY A 27 15.860 2.192 6.059 1.00 0.00 N ATOM 387 CA GLY A 27 17.272 1.915 6.048 1.00 0.00 C ATOM 388 C GLY A 27 18.029 2.401 4.840 1.00 0.00 C ATOM 389 O GLY A 27 18.808 3.356 4.939 1.00 0.00 O ATOM 0 H GLY A 27 15.592 2.942 6.696 1.00 0.00 H new ATOM 0 HA2 GLY A 27 17.717 2.363 6.936 1.00 0.00 H new ATOM 0 HA3 GLY A 27 17.412 0.837 6.131 1.00 0.00 H new ATOM 393 N ALA A 28 17.803 1.723 3.695 1.00 0.00 N ATOM 394 CA ALA A 28 18.564 1.914 2.452 1.00 0.00 C ATOM 395 C ALA A 28 20.010 1.499 2.716 1.00 0.00 C ATOM 396 O ALA A 28 20.958 1.910 2.034 1.00 0.00 O ATOM 397 CB ALA A 28 18.462 3.356 1.947 1.00 0.00 C ATOM 0 H ALA A 28 17.073 1.016 3.612 1.00 0.00 H new ATOM 0 HA ALA A 28 18.147 1.293 1.660 1.00 0.00 H new ATOM 0 HB1 ALA A 28 19.037 3.461 1.027 1.00 0.00 H new ATOM 0 HB2 ALA A 28 17.418 3.600 1.753 1.00 0.00 H new ATOM 0 HB3 ALA A 28 18.859 4.035 2.702 1.00 0.00 H new ATOM 403 N ASP A 29 20.140 0.615 3.680 1.00 0.00 N ATOM 404 CA ASP A 29 21.417 0.174 4.189 1.00 0.00 C ATOM 405 C ASP A 29 21.770 -1.206 3.685 1.00 0.00 C ATOM 406 O ASP A 29 22.904 -1.461 3.300 1.00 0.00 O ATOM 407 CB ASP A 29 21.361 0.161 5.710 1.00 0.00 C ATOM 408 CG ASP A 29 22.644 -0.291 6.342 1.00 0.00 C ATOM 409 OD1 ASP A 29 23.576 0.531 6.469 1.00 0.00 O ATOM 410 OD2 ASP A 29 22.742 -1.475 6.751 1.00 0.00 O ATOM 0 H ASP A 29 19.344 0.174 4.141 1.00 0.00 H new ATOM 0 HA ASP A 29 22.186 0.863 3.839 1.00 0.00 H new ATOM 0 HB2 ASP A 29 21.120 1.162 6.067 1.00 0.00 H new ATOM 0 HB3 ASP A 29 20.553 -0.496 6.032 1.00 0.00 H new ATOM 415 N ALA A 30 20.784 -2.091 3.679 1.00 0.00 N ATOM 416 CA ALA A 30 20.981 -3.478 3.266 1.00 0.00 C ATOM 417 C ALA A 30 21.420 -3.581 1.806 1.00 0.00 C ATOM 418 O ALA A 30 22.146 -4.500 1.432 1.00 0.00 O ATOM 419 CB ALA A 30 19.715 -4.284 3.504 1.00 0.00 C ATOM 0 H ALA A 30 19.828 -1.872 3.958 1.00 0.00 H new ATOM 0 HA ALA A 30 21.784 -3.893 3.875 1.00 0.00 H new ATOM 0 HB1 ALA A 30 19.876 -5.316 3.192 1.00 0.00 H new ATOM 0 HB2 ALA A 30 19.463 -4.261 4.564 1.00 0.00 H new ATOM 0 HB3 ALA A 30 18.896 -3.854 2.927 1.00 0.00 H new ATOM 425 N GLY A 31 20.998 -2.629 0.998 1.00 0.00 N ATOM 426 CA GLY A 31 21.360 -2.638 -0.406 1.00 0.00 C ATOM 427 C GLY A 31 20.155 -2.738 -1.290 1.00 0.00 C ATOM 428 O GLY A 31 20.201 -2.387 -2.462 1.00 0.00 O ATOM 0 H GLY A 31 20.410 -1.847 1.285 1.00 0.00 H new ATOM 0 HA2 GLY A 31 21.912 -1.729 -0.645 1.00 0.00 H new ATOM 0 HA3 GLY A 31 22.027 -3.477 -0.604 1.00 0.00 H new ATOM 432 N LEU A 32 19.065 -3.210 -0.716 1.00 0.00 N ATOM 433 CA LEU A 32 17.821 -3.360 -1.440 1.00 0.00 C ATOM 434 C LEU A 32 17.280 -1.986 -1.788 1.00 0.00 C ATOM 435 O LEU A 32 16.904 -1.738 -2.923 1.00 0.00 O ATOM 436 CB LEU A 32 16.787 -4.190 -0.634 1.00 0.00 C ATOM 437 CG LEU A 32 17.097 -5.703 -0.417 1.00 0.00 C ATOM 438 CD1 LEU A 32 18.335 -5.940 0.442 1.00 0.00 C ATOM 439 CD2 LEU A 32 15.899 -6.415 0.183 1.00 0.00 C ATOM 0 H LEU A 32 19.018 -3.499 0.261 1.00 0.00 H new ATOM 0 HA LEU A 32 18.011 -3.912 -2.360 1.00 0.00 H new ATOM 0 HB2 LEU A 32 16.671 -3.726 0.345 1.00 0.00 H new ATOM 0 HB3 LEU A 32 15.824 -4.112 -1.139 1.00 0.00 H new ATOM 0 HG LEU A 32 17.309 -6.118 -1.402 1.00 0.00 H new ATOM 0 HD11 LEU A 32 18.498 -7.012 0.557 1.00 0.00 H new ATOM 0 HD12 LEU A 32 19.203 -5.490 -0.039 1.00 0.00 H new ATOM 0 HD13 LEU A 32 18.189 -5.488 1.423 1.00 0.00 H new ATOM 0 HD21 LEU A 32 16.136 -7.469 0.326 1.00 0.00 H new ATOM 0 HD22 LEU A 32 15.652 -5.965 1.144 1.00 0.00 H new ATOM 0 HD23 LEU A 32 15.047 -6.323 -0.490 1.00 0.00 H new ATOM 451 N GLU A 33 17.277 -1.103 -0.779 1.00 0.00 N ATOM 452 CA GLU A 33 16.903 0.309 -0.915 1.00 0.00 C ATOM 453 C GLU A 33 15.539 0.478 -1.552 1.00 0.00 C ATOM 454 O GLU A 33 15.424 0.833 -2.742 1.00 0.00 O ATOM 455 CB GLU A 33 17.951 1.102 -1.699 1.00 0.00 C ATOM 456 CG GLU A 33 19.352 1.054 -1.125 1.00 0.00 C ATOM 457 CD GLU A 33 20.319 1.817 -1.979 1.00 0.00 C ATOM 458 OE1 GLU A 33 20.814 1.260 -2.980 1.00 0.00 O ATOM 459 OE2 GLU A 33 20.595 2.993 -1.684 1.00 0.00 O ATOM 0 H GLU A 33 17.540 -1.357 0.173 1.00 0.00 H new ATOM 0 HA GLU A 33 16.856 0.710 0.097 1.00 0.00 H new ATOM 0 HB2 GLU A 33 17.980 0.725 -2.721 1.00 0.00 H new ATOM 0 HB3 GLU A 33 17.632 2.143 -1.752 1.00 0.00 H new ATOM 0 HG2 GLU A 33 19.348 1.469 -0.117 1.00 0.00 H new ATOM 0 HG3 GLU A 33 19.677 0.017 -1.042 1.00 0.00 H new ATOM 466 N LYS A 34 14.525 0.170 -0.804 1.00 0.00 N ATOM 467 CA LYS A 34 13.189 0.324 -1.300 1.00 0.00 C ATOM 468 C LYS A 34 12.544 1.480 -0.555 1.00 0.00 C ATOM 469 O LYS A 34 13.188 2.104 0.316 1.00 0.00 O ATOM 470 CB LYS A 34 12.364 -0.980 -1.107 1.00 0.00 C ATOM 471 CG LYS A 34 11.784 -1.173 0.301 1.00 0.00 C ATOM 472 CD LYS A 34 11.125 -2.530 0.502 1.00 0.00 C ATOM 473 CE LYS A 34 12.087 -3.685 0.329 1.00 0.00 C ATOM 474 NZ LYS A 34 11.444 -4.978 0.641 1.00 0.00 N ATOM 0 H LYS A 34 14.594 -0.188 0.149 1.00 0.00 H new ATOM 0 HA LYS A 34 13.215 0.530 -2.370 1.00 0.00 H new ATOM 0 HB2 LYS A 34 11.545 -0.984 -1.826 1.00 0.00 H new ATOM 0 HB3 LYS A 34 13.000 -1.834 -1.343 1.00 0.00 H new ATOM 0 HG2 LYS A 34 12.582 -1.052 1.034 1.00 0.00 H new ATOM 0 HG3 LYS A 34 11.052 -0.389 0.495 1.00 0.00 H new ATOM 0 HD2 LYS A 34 10.691 -2.573 1.501 1.00 0.00 H new ATOM 0 HD3 LYS A 34 10.305 -2.638 -0.207 1.00 0.00 H new ATOM 0 HE2 LYS A 34 12.458 -3.700 -0.696 1.00 0.00 H new ATOM 0 HE3 LYS A 34 12.950 -3.541 0.979 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 12.167 -5.661 0.943 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 10.752 -4.846 1.406 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 10.960 -5.338 -0.206 1.00 0.00 H new ATOM 488 N LEU A 35 11.330 1.790 -0.920 1.00 0.00 N ATOM 489 CA LEU A 35 10.505 2.769 -0.244 1.00 0.00 C ATOM 490 C LEU A 35 10.337 2.447 1.250 1.00 0.00 C ATOM 491 O LEU A 35 10.651 1.357 1.726 1.00 0.00 O ATOM 492 CB LEU A 35 9.105 2.743 -0.822 1.00 0.00 C ATOM 493 CG LEU A 35 8.307 1.457 -0.536 1.00 0.00 C ATOM 494 CD1 LEU A 35 6.859 1.736 -0.590 1.00 0.00 C ATOM 495 CD2 LEU A 35 8.633 0.352 -1.523 1.00 0.00 C ATOM 0 H LEU A 35 10.868 1.358 -1.720 1.00 0.00 H new ATOM 0 HA LEU A 35 10.999 3.732 -0.375 1.00 0.00 H new ATOM 0 HB2 LEU A 35 8.549 3.593 -0.427 1.00 0.00 H new ATOM 0 HB3 LEU A 35 9.171 2.879 -1.901 1.00 0.00 H new ATOM 0 HG LEU A 35 8.591 1.119 0.461 1.00 0.00 H new ATOM 0 HD11 LEU A 35 6.304 0.820 -0.386 1.00 0.00 H new ATOM 0 HD12 LEU A 35 6.605 2.488 0.157 1.00 0.00 H new ATOM 0 HD13 LEU A 35 6.597 2.106 -1.581 1.00 0.00 H new ATOM 0 HD21 LEU A 35 8.047 -0.535 -1.283 1.00 0.00 H new ATOM 0 HD22 LEU A 35 8.392 0.683 -2.533 1.00 0.00 H new ATOM 0 HD23 LEU A 35 9.695 0.113 -1.464 1.00 0.00 H new ATOM 507 N GLY A 36 9.771 3.368 1.949 1.00 0.00 N ATOM 508 CA GLY A 36 9.475 3.169 3.313 1.00 0.00 C ATOM 509 C GLY A 36 8.064 3.570 3.617 1.00 0.00 C ATOM 510 O GLY A 36 7.768 4.047 4.699 1.00 0.00 O ATOM 0 H GLY A 36 9.502 4.282 1.584 1.00 0.00 H new ATOM 0 HA2 GLY A 36 9.623 2.121 3.572 1.00 0.00 H new ATOM 0 HA3 GLY A 36 10.163 3.750 3.927 1.00 0.00 H new ATOM 514 N ILE A 37 7.186 3.402 2.662 1.00 0.00 N ATOM 515 CA ILE A 37 5.807 3.743 2.891 1.00 0.00 C ATOM 516 C ILE A 37 5.089 2.545 3.426 1.00 0.00 C ATOM 517 O ILE A 37 4.706 1.638 2.685 1.00 0.00 O ATOM 518 CB ILE A 37 5.069 4.263 1.646 1.00 0.00 C ATOM 519 CG1 ILE A 37 5.853 5.415 0.996 1.00 0.00 C ATOM 520 CG2 ILE A 37 3.660 4.726 2.054 1.00 0.00 C ATOM 521 CD1 ILE A 37 5.910 6.684 1.801 1.00 0.00 C ATOM 0 H ILE A 37 7.396 3.037 1.733 1.00 0.00 H new ATOM 0 HA ILE A 37 5.809 4.564 3.608 1.00 0.00 H new ATOM 0 HB ILE A 37 4.986 3.461 0.912 1.00 0.00 H new ATOM 0 HG12 ILE A 37 6.872 5.078 0.806 1.00 0.00 H new ATOM 0 HG13 ILE A 37 5.405 5.638 0.028 1.00 0.00 H new ATOM 0 HG21 ILE A 37 3.130 5.096 1.176 1.00 0.00 H new ATOM 0 HG22 ILE A 37 3.111 3.887 2.482 1.00 0.00 H new ATOM 0 HG23 ILE A 37 3.739 5.523 2.793 1.00 0.00 H new ATOM 0 HD11 ILE A 37 6.484 7.434 1.257 1.00 0.00 H new ATOM 0 HD12 ILE A 37 4.899 7.053 1.970 1.00 0.00 H new ATOM 0 HD13 ILE A 37 6.389 6.485 2.760 1.00 0.00 H new ATOM 533 N PHE A 38 4.940 2.526 4.690 1.00 0.00 N ATOM 534 CA PHE A 38 4.307 1.441 5.350 1.00 0.00 C ATOM 535 C PHE A 38 2.884 1.787 5.588 1.00 0.00 C ATOM 536 O PHE A 38 2.499 2.964 5.498 1.00 0.00 O ATOM 537 CB PHE A 38 5.005 1.122 6.665 1.00 0.00 C ATOM 538 CG PHE A 38 6.415 0.646 6.501 1.00 0.00 C ATOM 539 CD1 PHE A 38 6.672 -0.674 6.185 1.00 0.00 C ATOM 540 CD2 PHE A 38 7.482 1.512 6.661 1.00 0.00 C ATOM 541 CE1 PHE A 38 7.963 -1.124 6.025 1.00 0.00 C ATOM 542 CE2 PHE A 38 8.780 1.072 6.505 1.00 0.00 C ATOM 543 CZ PHE A 38 9.021 -0.249 6.187 1.00 0.00 C ATOM 0 H PHE A 38 5.256 3.270 5.312 1.00 0.00 H new ATOM 0 HA PHE A 38 4.368 0.553 4.721 1.00 0.00 H new ATOM 0 HB2 PHE A 38 5.003 2.013 7.292 1.00 0.00 H new ATOM 0 HB3 PHE A 38 4.433 0.359 7.193 1.00 0.00 H new ATOM 0 HD1 PHE A 38 5.849 -1.362 6.062 1.00 0.00 H new ATOM 0 HD2 PHE A 38 7.296 2.546 6.911 1.00 0.00 H new ATOM 0 HE1 PHE A 38 8.149 -2.158 5.774 1.00 0.00 H new ATOM 0 HE2 PHE A 38 9.604 1.758 6.631 1.00 0.00 H new ATOM 0 HZ PHE A 38 10.035 -0.599 6.065 1.00 0.00 H new ATOM 553 N VAL A 39 2.096 0.802 5.853 1.00 0.00 N ATOM 554 CA VAL A 39 0.746 1.038 6.177 1.00 0.00 C ATOM 555 C VAL A 39 0.704 1.461 7.634 1.00 0.00 C ATOM 556 O VAL A 39 1.226 0.775 8.508 1.00 0.00 O ATOM 557 CB VAL A 39 -0.130 -0.207 5.929 1.00 0.00 C ATOM 558 CG1 VAL A 39 -1.585 0.118 6.178 1.00 0.00 C ATOM 559 CG2 VAL A 39 0.059 -0.717 4.504 1.00 0.00 C ATOM 0 H VAL A 39 2.374 -0.179 5.849 1.00 0.00 H new ATOM 0 HA VAL A 39 0.338 1.820 5.537 1.00 0.00 H new ATOM 0 HB VAL A 39 0.178 -0.990 6.622 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -2.192 -0.770 5.999 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -1.714 0.444 7.210 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -1.900 0.915 5.504 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -0.566 -1.596 4.346 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -0.226 0.063 3.798 1.00 0.00 H new ATOM 0 HG23 VAL A 39 1.105 -0.983 4.348 1.00 0.00 H new ATOM 569 N LYS A 40 0.162 2.611 7.871 1.00 0.00 N ATOM 570 CA LYS A 40 0.095 3.178 9.190 1.00 0.00 C ATOM 571 C LYS A 40 -1.066 2.572 9.935 1.00 0.00 C ATOM 572 O LYS A 40 -0.930 2.116 11.069 1.00 0.00 O ATOM 573 CB LYS A 40 -0.083 4.691 9.063 1.00 0.00 C ATOM 574 CG LYS A 40 -0.322 5.454 10.345 1.00 0.00 C ATOM 575 CD LYS A 40 0.869 5.458 11.262 1.00 0.00 C ATOM 576 CE LYS A 40 0.536 6.269 12.484 1.00 0.00 C ATOM 577 NZ LYS A 40 1.676 6.409 13.402 1.00 0.00 N ATOM 0 H LYS A 40 -0.255 3.196 7.147 1.00 0.00 H new ATOM 0 HA LYS A 40 1.011 2.968 9.742 1.00 0.00 H new ATOM 0 HB2 LYS A 40 0.807 5.100 8.584 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -0.921 4.880 8.393 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -0.590 6.483 10.104 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -1.173 5.017 10.867 1.00 0.00 H new ATOM 0 HD2 LYS A 40 1.131 4.439 11.545 1.00 0.00 H new ATOM 0 HD3 LYS A 40 1.736 5.880 10.753 1.00 0.00 H new ATOM 0 HE2 LYS A 40 0.199 7.259 12.177 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -0.294 5.799 13.012 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 1.391 6.976 14.226 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 1.984 5.468 13.720 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 2.461 6.882 12.911 1.00 0.00 H new ATOM 591 N THR A 41 -2.201 2.574 9.304 1.00 0.00 N ATOM 592 CA THR A 41 -3.395 2.070 9.899 1.00 0.00 C ATOM 593 C THR A 41 -4.292 1.637 8.762 1.00 0.00 C ATOM 594 O THR A 41 -4.097 2.077 7.616 1.00 0.00 O ATOM 595 CB THR A 41 -4.142 3.183 10.643 1.00 0.00 C ATOM 596 OG1 THR A 41 -3.205 4.105 11.232 1.00 0.00 O ATOM 597 CG2 THR A 41 -4.995 2.618 11.761 1.00 0.00 C ATOM 0 H THR A 41 -2.322 2.929 8.355 1.00 0.00 H new ATOM 0 HA THR A 41 -3.148 1.266 10.593 1.00 0.00 H new ATOM 0 HB THR A 41 -4.776 3.689 9.914 1.00 0.00 H new ATOM 0 HG1 THR A 41 -3.694 4.812 11.703 1.00 0.00 H new ATOM 0 HG21 THR A 41 -5.512 3.431 12.270 1.00 0.00 H new ATOM 0 HG22 THR A 41 -5.727 1.926 11.346 1.00 0.00 H new ATOM 0 HG23 THR A 41 -4.360 2.090 12.472 1.00 0.00 H new ATOM 605 N VAL A 42 -5.243 0.827 9.051 1.00 0.00 N ATOM 606 CA VAL A 42 -6.213 0.398 8.096 1.00 0.00 C ATOM 607 C VAL A 42 -7.536 0.469 8.810 1.00 0.00 C ATOM 608 O VAL A 42 -7.561 0.315 10.026 1.00 0.00 O ATOM 609 CB VAL A 42 -5.981 -1.081 7.613 1.00 0.00 C ATOM 610 CG1 VAL A 42 -6.993 -1.472 6.564 1.00 0.00 C ATOM 611 CG2 VAL A 42 -4.596 -1.283 7.056 1.00 0.00 C ATOM 0 H VAL A 42 -5.377 0.430 9.981 1.00 0.00 H new ATOM 0 HA VAL A 42 -6.158 1.027 7.208 1.00 0.00 H new ATOM 0 HB VAL A 42 -6.098 -1.715 8.492 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -6.810 -2.499 6.247 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -7.997 -1.394 6.980 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -6.903 -0.806 5.706 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -4.480 -2.318 6.735 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -4.446 -0.620 6.204 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -3.858 -1.057 7.826 1.00 0.00 H new ATOM 621 N THR A 43 -8.607 0.771 8.093 1.00 0.00 N ATOM 622 CA THR A 43 -9.923 0.732 8.676 1.00 0.00 C ATOM 623 C THR A 43 -10.135 -0.678 9.300 1.00 0.00 C ATOM 624 O THR A 43 -9.823 -1.718 8.667 1.00 0.00 O ATOM 625 CB THR A 43 -11.021 1.036 7.613 1.00 0.00 C ATOM 626 OG1 THR A 43 -12.310 1.075 8.225 1.00 0.00 O ATOM 627 CG2 THR A 43 -11.035 -0.042 6.568 1.00 0.00 C ATOM 0 H THR A 43 -8.583 1.044 7.110 1.00 0.00 H new ATOM 0 HA THR A 43 -10.005 1.499 9.446 1.00 0.00 H new ATOM 0 HB THR A 43 -10.795 2.002 7.161 1.00 0.00 H new ATOM 0 HG1 THR A 43 -12.989 1.269 7.545 1.00 0.00 H new ATOM 0 HG21 THR A 43 -11.805 0.178 5.829 1.00 0.00 H new ATOM 0 HG22 THR A 43 -10.063 -0.086 6.077 1.00 0.00 H new ATOM 0 HG23 THR A 43 -11.247 -1.002 7.038 1.00 0.00 H new ATOM 635 N GLU A 44 -10.620 -0.688 10.502 1.00 0.00 N ATOM 636 CA GLU A 44 -10.757 -1.883 11.337 1.00 0.00 C ATOM 637 C GLU A 44 -11.564 -2.962 10.627 1.00 0.00 C ATOM 638 O GLU A 44 -11.073 -4.072 10.378 1.00 0.00 O ATOM 639 CB GLU A 44 -11.399 -1.494 12.677 1.00 0.00 C ATOM 640 CG GLU A 44 -11.573 -2.627 13.680 1.00 0.00 C ATOM 641 CD GLU A 44 -10.277 -3.273 14.099 1.00 0.00 C ATOM 642 OE1 GLU A 44 -9.425 -2.608 14.710 1.00 0.00 O ATOM 643 OE2 GLU A 44 -10.110 -4.482 13.881 1.00 0.00 O ATOM 0 H GLU A 44 -10.950 0.159 10.964 1.00 0.00 H new ATOM 0 HA GLU A 44 -9.768 -2.301 11.527 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -10.791 -0.716 13.138 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -12.377 -1.057 12.477 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -12.079 -2.242 14.565 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -12.223 -3.387 13.247 1.00 0.00 H new ATOM 650 N GLY A 45 -12.759 -2.629 10.269 1.00 0.00 N ATOM 651 CA GLY A 45 -13.587 -3.565 9.592 1.00 0.00 C ATOM 652 C GLY A 45 -14.453 -2.930 8.570 1.00 0.00 C ATOM 653 O GLY A 45 -15.605 -3.295 8.420 1.00 0.00 O ATOM 0 H GLY A 45 -13.182 -1.716 10.435 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -12.961 -4.318 9.114 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -14.211 -4.084 10.319 1.00 0.00 H new ATOM 657 N GLY A 46 -13.898 -1.961 7.861 1.00 0.00 N ATOM 658 CA GLY A 46 -14.636 -1.342 6.771 1.00 0.00 C ATOM 659 C GLY A 46 -14.921 -2.367 5.696 1.00 0.00 C ATOM 660 O GLY A 46 -16.051 -2.524 5.260 1.00 0.00 O ATOM 0 H GLY A 46 -12.960 -1.592 8.015 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -15.571 -0.924 7.144 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -14.061 -0.515 6.354 1.00 0.00 H new ATOM 664 N ALA A 47 -13.856 -3.097 5.332 1.00 0.00 N ATOM 665 CA ALA A 47 -13.878 -4.190 4.342 1.00 0.00 C ATOM 666 C ALA A 47 -12.456 -4.621 4.019 1.00 0.00 C ATOM 667 O ALA A 47 -12.224 -5.744 3.677 1.00 0.00 O ATOM 668 CB ALA A 47 -14.603 -3.828 3.036 1.00 0.00 C ATOM 0 H ALA A 47 -12.929 -2.941 5.728 1.00 0.00 H new ATOM 0 HA ALA A 47 -14.440 -5.004 4.801 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -14.578 -4.681 2.358 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -15.639 -3.569 3.255 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -14.107 -2.978 2.568 1.00 0.00 H new ATOM 674 N ALA A 48 -11.483 -3.704 4.194 1.00 0.00 N ATOM 675 CA ALA A 48 -10.076 -3.993 3.838 1.00 0.00 C ATOM 676 C ALA A 48 -9.527 -5.094 4.699 1.00 0.00 C ATOM 677 O ALA A 48 -9.070 -6.113 4.208 1.00 0.00 O ATOM 678 CB ALA A 48 -9.216 -2.743 3.965 1.00 0.00 C ATOM 0 H ALA A 48 -11.640 -2.770 4.574 1.00 0.00 H new ATOM 0 HA ALA A 48 -10.052 -4.321 2.799 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -8.186 -2.981 3.698 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -9.595 -1.971 3.296 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -9.250 -2.381 4.993 1.00 0.00 H new ATOM 684 N GLN A 49 -9.622 -4.902 5.985 1.00 0.00 N ATOM 685 CA GLN A 49 -9.154 -5.905 6.922 1.00 0.00 C ATOM 686 C GLN A 49 -10.120 -7.069 7.029 1.00 0.00 C ATOM 687 O GLN A 49 -9.829 -8.065 7.663 1.00 0.00 O ATOM 688 CB GLN A 49 -8.894 -5.302 8.275 1.00 0.00 C ATOM 689 CG GLN A 49 -7.714 -4.362 8.298 1.00 0.00 C ATOM 690 CD GLN A 49 -7.315 -3.961 9.699 1.00 0.00 C ATOM 691 OE1 GLN A 49 -6.474 -4.606 10.327 1.00 0.00 O ATOM 692 NE2 GLN A 49 -7.907 -2.924 10.194 1.00 0.00 N ATOM 0 H GLN A 49 -10.017 -4.066 6.415 1.00 0.00 H new ATOM 0 HA GLN A 49 -8.212 -6.294 6.534 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -9.784 -4.764 8.601 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -8.725 -6.103 8.995 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -6.866 -4.838 7.805 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -7.956 -3.468 7.724 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -8.598 -2.418 9.640 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -7.683 -2.612 11.139 1.00 0.00 H new ATOM 701 N ARG A 50 -11.273 -6.936 6.411 1.00 0.00 N ATOM 702 CA ARG A 50 -12.211 -8.025 6.404 1.00 0.00 C ATOM 703 C ARG A 50 -11.975 -8.903 5.207 1.00 0.00 C ATOM 704 O ARG A 50 -12.357 -10.069 5.208 1.00 0.00 O ATOM 705 CB ARG A 50 -13.649 -7.557 6.516 1.00 0.00 C ATOM 706 CG ARG A 50 -13.901 -6.826 7.815 1.00 0.00 C ATOM 707 CD ARG A 50 -13.623 -7.703 9.040 1.00 0.00 C ATOM 708 NE ARG A 50 -13.779 -6.951 10.284 1.00 0.00 N ATOM 709 CZ ARG A 50 -12.945 -7.008 11.345 1.00 0.00 C ATOM 710 NH1 ARG A 50 -11.889 -7.841 11.354 1.00 0.00 N ATOM 711 NH2 ARG A 50 -13.175 -6.240 12.398 1.00 0.00 N ATOM 0 H ARG A 50 -11.576 -6.097 5.916 1.00 0.00 H new ATOM 0 HA ARG A 50 -12.038 -8.625 7.297 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -13.884 -6.901 5.678 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -14.317 -8.415 6.446 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -13.271 -5.937 7.857 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -14.936 -6.485 7.842 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -14.303 -8.555 9.041 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -12.611 -8.103 8.980 1.00 0.00 H new ATOM 0 HE ARG A 50 -14.586 -6.331 10.357 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -11.707 -8.443 10.551 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -11.270 -7.871 12.164 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -13.978 -5.611 12.405 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -12.550 -6.278 13.203 1.00 0.00 H new ATOM 725 N ASP A 51 -11.354 -8.326 4.167 1.00 0.00 N ATOM 726 CA ASP A 51 -10.894 -9.124 3.025 1.00 0.00 C ATOM 727 C ASP A 51 -9.879 -10.135 3.520 1.00 0.00 C ATOM 728 O ASP A 51 -10.013 -11.344 3.316 1.00 0.00 O ATOM 729 CB ASP A 51 -10.244 -8.246 1.951 1.00 0.00 C ATOM 730 CG ASP A 51 -9.682 -9.073 0.811 1.00 0.00 C ATOM 731 OD1 ASP A 51 -8.530 -9.536 0.906 1.00 0.00 O ATOM 732 OD2 ASP A 51 -10.397 -9.283 -0.195 1.00 0.00 O ATOM 0 H ASP A 51 -11.162 -7.327 4.094 1.00 0.00 H new ATOM 0 HA ASP A 51 -11.756 -9.621 2.579 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -10.981 -7.543 1.561 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -9.445 -7.655 2.399 1.00 0.00 H new ATOM 737 N GLY A 52 -8.863 -9.629 4.179 1.00 0.00 N ATOM 738 CA GLY A 52 -7.894 -10.486 4.794 1.00 0.00 C ATOM 739 C GLY A 52 -6.571 -10.563 4.073 1.00 0.00 C ATOM 740 O GLY A 52 -5.550 -10.818 4.712 1.00 0.00 O ATOM 0 H GLY A 52 -8.692 -8.631 4.299 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -7.717 -10.140 5.812 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -8.312 -11.490 4.867 1.00 0.00 H new ATOM 744 N ARG A 53 -6.549 -10.333 2.760 1.00 0.00 N ATOM 745 CA ARG A 53 -5.293 -10.472 2.003 1.00 0.00 C ATOM 746 C ARG A 53 -4.359 -9.299 2.332 1.00 0.00 C ATOM 747 O ARG A 53 -3.142 -9.436 2.340 1.00 0.00 O ATOM 748 CB ARG A 53 -5.571 -10.511 0.489 1.00 0.00 C ATOM 749 CG ARG A 53 -4.696 -11.473 -0.346 1.00 0.00 C ATOM 750 CD ARG A 53 -3.200 -11.222 -0.208 1.00 0.00 C ATOM 751 NE ARG A 53 -2.414 -12.070 -1.119 1.00 0.00 N ATOM 752 CZ ARG A 53 -1.136 -12.441 -0.930 1.00 0.00 C ATOM 753 NH1 ARG A 53 -0.516 -12.137 0.205 1.00 0.00 N ATOM 754 NH2 ARG A 53 -0.484 -13.128 -1.883 1.00 0.00 N ATOM 0 H ARG A 53 -7.359 -10.057 2.206 1.00 0.00 H new ATOM 0 HA ARG A 53 -4.815 -11.409 2.290 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -6.616 -10.784 0.340 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -5.445 -9.504 0.092 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -4.912 -12.498 -0.046 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -4.974 -11.383 -1.396 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -2.987 -10.173 -0.415 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -2.893 -11.413 0.820 1.00 0.00 H new ATOM 0 HE ARG A 53 -2.878 -12.404 -1.964 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -1.010 -11.622 0.934 1.00 0.00 H new ATOM 0 HH12 ARG A 53 0.454 -12.419 0.348 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -0.959 -13.369 -2.753 1.00 0.00 H new ATOM 0 HH22 ARG A 53 0.486 -13.408 -1.737 1.00 0.00 H new ATOM 768 N ILE A 54 -4.934 -8.165 2.616 1.00 0.00 N ATOM 769 CA ILE A 54 -4.150 -6.994 2.923 1.00 0.00 C ATOM 770 C ILE A 54 -4.040 -6.846 4.445 1.00 0.00 C ATOM 771 O ILE A 54 -4.964 -7.247 5.183 1.00 0.00 O ATOM 772 CB ILE A 54 -4.792 -5.720 2.297 1.00 0.00 C ATOM 773 CG1 ILE A 54 -3.813 -4.547 2.320 1.00 0.00 C ATOM 774 CG2 ILE A 54 -6.072 -5.345 3.044 1.00 0.00 C ATOM 775 CD1 ILE A 54 -4.321 -3.336 1.576 1.00 0.00 C ATOM 0 H ILE A 54 -5.944 -8.022 2.642 1.00 0.00 H new ATOM 0 HA ILE A 54 -3.153 -7.109 2.497 1.00 0.00 H new ATOM 0 HB ILE A 54 -5.039 -5.944 1.259 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -3.610 -4.271 3.355 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -2.866 -4.863 1.883 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -6.508 -4.453 2.594 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -6.784 -6.168 2.981 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -5.838 -5.146 4.090 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -3.580 -2.539 1.630 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -4.497 -3.598 0.533 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -5.253 -2.996 2.027 1.00 0.00 H new ATOM 787 N GLN A 55 -2.925 -6.331 4.926 1.00 0.00 N ATOM 788 CA GLN A 55 -2.758 -6.127 6.338 1.00 0.00 C ATOM 789 C GLN A 55 -2.126 -4.766 6.622 1.00 0.00 C ATOM 790 O GLN A 55 -1.509 -4.155 5.754 1.00 0.00 O ATOM 791 CB GLN A 55 -1.916 -7.237 6.982 1.00 0.00 C ATOM 792 CG GLN A 55 -2.509 -8.629 6.891 1.00 0.00 C ATOM 793 CD GLN A 55 -1.622 -9.688 7.502 1.00 0.00 C ATOM 794 OE1 GLN A 55 -0.389 -9.581 7.496 1.00 0.00 O ATOM 795 NE2 GLN A 55 -2.225 -10.711 8.040 1.00 0.00 N ATOM 0 H GLN A 55 -2.128 -6.049 4.356 1.00 0.00 H new ATOM 0 HA GLN A 55 -3.753 -6.158 6.782 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -0.933 -7.246 6.510 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -1.763 -6.992 8.033 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -3.477 -8.639 7.392 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -2.690 -8.874 5.844 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -3.243 -10.767 8.027 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -1.678 -11.455 8.474 1.00 0.00 H new ATOM 804 N VAL A 56 -2.258 -4.332 7.861 1.00 0.00 N ATOM 805 CA VAL A 56 -1.750 -3.039 8.339 1.00 0.00 C ATOM 806 C VAL A 56 -0.232 -3.076 8.535 1.00 0.00 C ATOM 807 O VAL A 56 0.423 -2.055 8.644 1.00 0.00 O ATOM 808 CB VAL A 56 -2.444 -2.662 9.694 1.00 0.00 C ATOM 809 CG1 VAL A 56 -2.090 -3.647 10.808 1.00 0.00 C ATOM 810 CG2 VAL A 56 -2.155 -1.220 10.113 1.00 0.00 C ATOM 0 H VAL A 56 -2.730 -4.872 8.586 1.00 0.00 H new ATOM 0 HA VAL A 56 -1.980 -2.287 7.584 1.00 0.00 H new ATOM 0 HB VAL A 56 -3.518 -2.734 9.521 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -2.591 -3.350 11.729 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -2.415 -4.648 10.525 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -1.011 -3.646 10.965 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -2.657 -1.008 11.057 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -1.080 -1.085 10.236 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -2.521 -0.538 9.346 1.00 0.00 H new ATOM 820 N ASN A 57 0.317 -4.253 8.564 1.00 0.00 N ATOM 821 CA ASN A 57 1.742 -4.407 8.836 1.00 0.00 C ATOM 822 C ASN A 57 2.547 -4.496 7.555 1.00 0.00 C ATOM 823 O ASN A 57 3.751 -4.774 7.568 1.00 0.00 O ATOM 824 CB ASN A 57 1.992 -5.622 9.744 1.00 0.00 C ATOM 825 CG ASN A 57 1.905 -7.013 9.078 1.00 0.00 C ATOM 826 OD1 ASN A 57 1.147 -7.166 8.018 1.00 0.00 O flip ATOM 827 ND2 ASN A 57 2.554 -7.947 9.526 1.00 0.00 N flip ATOM 0 H ASN A 57 -0.185 -5.127 8.405 1.00 0.00 H new ATOM 0 HA ASN A 57 2.081 -3.516 9.364 1.00 0.00 H new ATOM 0 HB2 ASN A 57 2.982 -5.518 10.187 1.00 0.00 H new ATOM 0 HB3 ASN A 57 1.272 -5.590 10.562 1.00 0.00 H new ATOM 0 HD21 ASN A 57 3.139 -7.812 10.351 1.00 0.00 H new ATOM 0 HD22 ASN A 57 2.511 -8.861 9.075 1.00 0.00 H new ATOM 834 N ASP A 58 1.891 -4.225 6.471 1.00 0.00 N ATOM 835 CA ASP A 58 2.499 -4.324 5.170 1.00 0.00 C ATOM 836 C ASP A 58 2.976 -2.974 4.670 1.00 0.00 C ATOM 837 O ASP A 58 2.962 -1.972 5.402 1.00 0.00 O ATOM 838 CB ASP A 58 1.551 -4.984 4.156 1.00 0.00 C ATOM 839 CG ASP A 58 1.344 -6.456 4.422 1.00 0.00 C ATOM 840 OD1 ASP A 58 2.321 -7.228 4.326 1.00 0.00 O ATOM 841 OD2 ASP A 58 0.217 -6.869 4.747 1.00 0.00 O ATOM 0 H ASP A 58 0.915 -3.927 6.457 1.00 0.00 H new ATOM 0 HA ASP A 58 3.375 -4.964 5.273 1.00 0.00 H new ATOM 0 HB2 ASP A 58 0.587 -4.476 4.182 1.00 0.00 H new ATOM 0 HB3 ASP A 58 1.953 -4.854 3.151 1.00 0.00 H new ATOM 846 N GLN A 59 3.403 -2.957 3.436 1.00 0.00 N ATOM 847 CA GLN A 59 3.935 -1.794 2.792 1.00 0.00 C ATOM 848 C GLN A 59 3.327 -1.682 1.396 1.00 0.00 C ATOM 849 O GLN A 59 3.279 -2.666 0.666 1.00 0.00 O ATOM 850 CB GLN A 59 5.453 -1.940 2.715 1.00 0.00 C ATOM 851 CG GLN A 59 6.137 -0.915 1.854 1.00 0.00 C ATOM 852 CD GLN A 59 7.623 -1.062 1.860 1.00 0.00 C ATOM 853 OE1 GLN A 59 8.176 -1.803 1.069 1.00 0.00 O ATOM 854 NE2 GLN A 59 8.283 -0.335 2.723 1.00 0.00 N ATOM 0 H GLN A 59 3.388 -3.781 2.835 1.00 0.00 H new ATOM 0 HA GLN A 59 3.692 -0.890 3.350 1.00 0.00 H new ATOM 0 HB2 GLN A 59 5.862 -1.880 3.723 1.00 0.00 H new ATOM 0 HB3 GLN A 59 5.691 -2.933 2.333 1.00 0.00 H new ATOM 0 HG2 GLN A 59 5.771 -1.002 0.831 1.00 0.00 H new ATOM 0 HG3 GLN A 59 5.873 0.083 2.203 1.00 0.00 H new ATOM 0 HE21 GLN A 59 7.779 0.273 3.369 1.00 0.00 H new ATOM 0 HE22 GLN A 59 9.302 -0.376 2.751 1.00 0.00 H new ATOM 863 N ILE A 60 2.873 -0.500 1.037 1.00 0.00 N ATOM 864 CA ILE A 60 2.232 -0.285 -0.251 1.00 0.00 C ATOM 865 C ILE A 60 3.297 -0.182 -1.338 1.00 0.00 C ATOM 866 O ILE A 60 4.077 0.743 -1.341 1.00 0.00 O ATOM 867 CB ILE A 60 1.414 1.033 -0.270 1.00 0.00 C ATOM 868 CG1 ILE A 60 0.394 1.107 0.885 1.00 0.00 C ATOM 869 CG2 ILE A 60 0.701 1.161 -1.598 1.00 0.00 C ATOM 870 CD1 ILE A 60 -0.646 0.004 0.891 1.00 0.00 C ATOM 0 H ILE A 60 2.935 0.334 1.621 1.00 0.00 H new ATOM 0 HA ILE A 60 1.563 -1.127 -0.427 1.00 0.00 H new ATOM 0 HB ILE A 60 2.112 1.860 -0.135 1.00 0.00 H new ATOM 0 HG12 ILE A 60 0.936 1.081 1.831 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -0.118 2.068 0.837 1.00 0.00 H new ATOM 0 HG21 ILE A 60 0.125 2.086 -1.614 1.00 0.00 H new ATOM 0 HG22 ILE A 60 1.434 1.176 -2.405 1.00 0.00 H new ATOM 0 HG23 ILE A 60 0.029 0.313 -1.733 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -1.317 0.141 1.739 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -1.220 0.040 -0.035 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -0.150 -0.963 0.974 1.00 0.00 H new ATOM 882 N VAL A 61 3.314 -1.116 -2.255 1.00 0.00 N ATOM 883 CA VAL A 61 4.321 -1.119 -3.311 1.00 0.00 C ATOM 884 C VAL A 61 3.783 -0.417 -4.574 1.00 0.00 C ATOM 885 O VAL A 61 4.393 0.522 -5.107 1.00 0.00 O ATOM 886 CB VAL A 61 4.756 -2.585 -3.632 1.00 0.00 C ATOM 887 CG1 VAL A 61 5.745 -2.657 -4.777 1.00 0.00 C ATOM 888 CG2 VAL A 61 5.330 -3.257 -2.392 1.00 0.00 C ATOM 0 H VAL A 61 2.648 -1.887 -2.300 1.00 0.00 H new ATOM 0 HA VAL A 61 5.195 -0.567 -2.965 1.00 0.00 H new ATOM 0 HB VAL A 61 3.860 -3.121 -3.946 1.00 0.00 H new ATOM 0 HG11 VAL A 61 6.015 -3.697 -4.960 1.00 0.00 H new ATOM 0 HG12 VAL A 61 5.293 -2.236 -5.675 1.00 0.00 H new ATOM 0 HG13 VAL A 61 6.640 -2.089 -4.521 1.00 0.00 H new ATOM 0 HG21 VAL A 61 5.627 -4.277 -2.636 1.00 0.00 H new ATOM 0 HG22 VAL A 61 6.200 -2.699 -2.045 1.00 0.00 H new ATOM 0 HG23 VAL A 61 4.575 -3.277 -1.606 1.00 0.00 H new ATOM 898 N GLU A 62 2.633 -0.833 -5.013 1.00 0.00 N ATOM 899 CA GLU A 62 2.043 -0.299 -6.216 1.00 0.00 C ATOM 900 C GLU A 62 0.533 -0.296 -6.093 1.00 0.00 C ATOM 901 O GLU A 62 -0.088 -1.326 -6.045 1.00 0.00 O ATOM 902 CB GLU A 62 2.476 -1.121 -7.458 1.00 0.00 C ATOM 903 CG GLU A 62 1.821 -0.683 -8.764 1.00 0.00 C ATOM 904 CD GLU A 62 1.925 -1.718 -9.865 1.00 0.00 C ATOM 905 OE1 GLU A 62 3.028 -1.926 -10.410 1.00 0.00 O ATOM 906 OE2 GLU A 62 0.888 -2.326 -10.218 1.00 0.00 O ATOM 0 H GLU A 62 2.074 -1.551 -4.552 1.00 0.00 H new ATOM 0 HA GLU A 62 2.395 0.724 -6.346 1.00 0.00 H new ATOM 0 HB2 GLU A 62 3.558 -1.049 -7.567 1.00 0.00 H new ATOM 0 HB3 GLU A 62 2.242 -2.171 -7.283 1.00 0.00 H new ATOM 0 HG2 GLU A 62 0.769 -0.464 -8.579 1.00 0.00 H new ATOM 0 HG3 GLU A 62 2.285 0.244 -9.102 1.00 0.00 H new ATOM 913 N VAL A 63 -0.041 0.855 -5.983 1.00 0.00 N ATOM 914 CA VAL A 63 -1.470 0.961 -5.966 1.00 0.00 C ATOM 915 C VAL A 63 -1.967 1.448 -7.288 1.00 0.00 C ATOM 916 O VAL A 63 -1.444 2.423 -7.825 1.00 0.00 O ATOM 917 CB VAL A 63 -1.995 1.840 -4.790 1.00 0.00 C ATOM 918 CG1 VAL A 63 -3.377 2.409 -5.093 1.00 0.00 C ATOM 919 CG2 VAL A 63 -2.088 0.977 -3.563 1.00 0.00 C ATOM 0 H VAL A 63 0.456 1.742 -5.903 1.00 0.00 H new ATOM 0 HA VAL A 63 -1.871 -0.037 -5.792 1.00 0.00 H new ATOM 0 HB VAL A 63 -1.308 2.673 -4.641 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -3.713 3.016 -4.253 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -3.328 3.026 -5.990 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -4.080 1.591 -5.253 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -2.454 1.572 -2.726 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -2.776 0.152 -3.750 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -1.102 0.580 -3.322 1.00 0.00 H new ATOM 929 N ASP A 64 -2.896 0.692 -7.852 1.00 0.00 N ATOM 930 CA ASP A 64 -3.611 1.037 -9.093 1.00 0.00 C ATOM 931 C ASP A 64 -2.654 1.154 -10.308 1.00 0.00 C ATOM 932 O ASP A 64 -2.998 1.685 -11.364 1.00 0.00 O ATOM 933 CB ASP A 64 -4.442 2.321 -8.872 1.00 0.00 C ATOM 934 CG ASP A 64 -5.374 2.639 -10.007 1.00 0.00 C ATOM 935 OD1 ASP A 64 -6.311 1.847 -10.268 1.00 0.00 O ATOM 936 OD2 ASP A 64 -5.204 3.687 -10.662 1.00 0.00 O ATOM 0 H ASP A 64 -3.188 -0.202 -7.458 1.00 0.00 H new ATOM 0 HA ASP A 64 -4.294 0.224 -9.338 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -5.022 2.214 -7.956 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -3.764 3.161 -8.724 1.00 0.00 H new ATOM 941 N GLY A 65 -1.470 0.598 -10.156 1.00 0.00 N ATOM 942 CA GLY A 65 -0.475 0.646 -11.199 1.00 0.00 C ATOM 943 C GLY A 65 0.312 1.930 -11.202 1.00 0.00 C ATOM 944 O GLY A 65 1.109 2.171 -12.103 1.00 0.00 O ATOM 0 H GLY A 65 -1.175 0.105 -9.313 1.00 0.00 H new ATOM 0 HA2 GLY A 65 0.210 -0.193 -11.079 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -0.963 0.523 -12.166 1.00 0.00 H new ATOM 948 N ILE A 66 0.128 2.748 -10.173 1.00 0.00 N ATOM 949 CA ILE A 66 0.783 4.036 -10.121 1.00 0.00 C ATOM 950 C ILE A 66 2.280 3.878 -9.770 1.00 0.00 C ATOM 951 O ILE A 66 3.079 4.777 -10.009 1.00 0.00 O ATOM 952 CB ILE A 66 0.080 4.989 -9.103 1.00 0.00 C ATOM 953 CG1 ILE A 66 0.244 6.434 -9.569 1.00 0.00 C ATOM 954 CG2 ILE A 66 0.666 4.811 -7.697 1.00 0.00 C ATOM 955 CD1 ILE A 66 -0.462 7.444 -8.714 1.00 0.00 C ATOM 0 H ILE A 66 -0.467 2.539 -9.371 1.00 0.00 H new ATOM 0 HA ILE A 66 0.706 4.486 -11.111 1.00 0.00 H new ATOM 0 HB ILE A 66 -0.980 4.741 -9.058 1.00 0.00 H new ATOM 0 HG12 ILE A 66 1.306 6.676 -9.594 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -0.127 6.518 -10.591 1.00 0.00 H new ATOM 0 HG21 ILE A 66 0.161 5.485 -7.005 1.00 0.00 H new ATOM 0 HG22 ILE A 66 0.522 3.781 -7.371 1.00 0.00 H new ATOM 0 HG23 ILE A 66 1.731 5.041 -7.715 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -0.293 8.443 -9.116 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -1.531 7.232 -8.708 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -0.076 7.393 -7.696 1.00 0.00 H new ATOM 967 N SER A 67 2.620 2.696 -9.249 1.00 0.00 N ATOM 968 CA SER A 67 3.946 2.340 -8.808 1.00 0.00 C ATOM 969 C SER A 67 4.569 3.399 -7.892 1.00 0.00 C ATOM 970 O SER A 67 5.387 4.213 -8.306 1.00 0.00 O ATOM 971 CB SER A 67 4.788 2.044 -10.009 1.00 0.00 C ATOM 972 OG SER A 67 4.175 1.030 -10.789 1.00 0.00 O ATOM 0 H SER A 67 1.945 1.942 -9.124 1.00 0.00 H new ATOM 0 HA SER A 67 3.886 1.444 -8.190 1.00 0.00 H new ATOM 0 HB2 SER A 67 4.916 2.947 -10.606 1.00 0.00 H new ATOM 0 HB3 SER A 67 5.782 1.724 -9.697 1.00 0.00 H new ATOM 0 HG SER A 67 4.730 0.841 -11.575 1.00 0.00 H new ATOM 978 N LEU A 68 4.173 3.373 -6.642 1.00 0.00 N ATOM 979 CA LEU A 68 4.618 4.374 -5.685 1.00 0.00 C ATOM 980 C LEU A 68 5.807 3.850 -4.897 1.00 0.00 C ATOM 981 O LEU A 68 6.211 4.399 -3.874 1.00 0.00 O ATOM 982 CB LEU A 68 3.451 4.777 -4.788 1.00 0.00 C ATOM 983 CG LEU A 68 2.859 3.689 -3.919 1.00 0.00 C ATOM 984 CD1 LEU A 68 3.332 3.823 -2.477 1.00 0.00 C ATOM 985 CD2 LEU A 68 1.361 3.714 -4.022 1.00 0.00 C ATOM 0 H LEU A 68 3.542 2.670 -6.257 1.00 0.00 H new ATOM 0 HA LEU A 68 4.954 5.270 -6.207 1.00 0.00 H new ATOM 0 HB2 LEU A 68 3.783 5.588 -4.140 1.00 0.00 H new ATOM 0 HB3 LEU A 68 2.658 5.178 -5.419 1.00 0.00 H new ATOM 0 HG LEU A 68 3.207 2.720 -4.276 1.00 0.00 H new ATOM 0 HD11 LEU A 68 2.892 3.029 -1.874 1.00 0.00 H new ATOM 0 HD12 LEU A 68 4.419 3.745 -2.442 1.00 0.00 H new ATOM 0 HD13 LEU A 68 3.025 4.791 -2.082 1.00 0.00 H new ATOM 0 HD21 LEU A 68 0.940 2.929 -3.394 1.00 0.00 H new ATOM 0 HD22 LEU A 68 0.990 4.683 -3.689 1.00 0.00 H new ATOM 0 HD23 LEU A 68 1.065 3.549 -5.058 1.00 0.00 H new ATOM 997 N VAL A 69 6.322 2.766 -5.380 1.00 0.00 N ATOM 998 CA VAL A 69 7.526 2.157 -4.879 1.00 0.00 C ATOM 999 C VAL A 69 8.719 3.160 -4.957 1.00 0.00 C ATOM 1000 O VAL A 69 9.341 3.357 -6.006 1.00 0.00 O ATOM 1001 CB VAL A 69 7.813 0.791 -5.631 1.00 0.00 C ATOM 1002 CG1 VAL A 69 7.851 0.949 -7.149 1.00 0.00 C ATOM 1003 CG2 VAL A 69 9.078 0.109 -5.131 1.00 0.00 C ATOM 0 H VAL A 69 5.907 2.258 -6.161 1.00 0.00 H new ATOM 0 HA VAL A 69 7.394 1.910 -3.825 1.00 0.00 H new ATOM 0 HB VAL A 69 6.969 0.145 -5.392 1.00 0.00 H new ATOM 0 HG11 VAL A 69 8.051 -0.018 -7.611 1.00 0.00 H new ATOM 0 HG12 VAL A 69 6.891 1.327 -7.500 1.00 0.00 H new ATOM 0 HG13 VAL A 69 8.639 1.651 -7.422 1.00 0.00 H new ATOM 0 HG21 VAL A 69 9.230 -0.822 -5.677 1.00 0.00 H new ATOM 0 HG22 VAL A 69 9.933 0.766 -5.290 1.00 0.00 H new ATOM 0 HG23 VAL A 69 8.979 -0.107 -4.067 1.00 0.00 H new ATOM 1013 N GLY A 70 8.916 3.878 -3.865 1.00 0.00 N ATOM 1014 CA GLY A 70 10.003 4.825 -3.754 1.00 0.00 C ATOM 1015 C GLY A 70 9.524 6.263 -3.655 1.00 0.00 C ATOM 1016 O GLY A 70 10.270 7.196 -3.963 1.00 0.00 O ATOM 0 H GLY A 70 8.327 3.819 -3.034 1.00 0.00 H new ATOM 0 HA2 GLY A 70 10.600 4.584 -2.874 1.00 0.00 H new ATOM 0 HA3 GLY A 70 10.657 4.724 -4.620 1.00 0.00 H new ATOM 1020 N VAL A 71 8.296 6.462 -3.254 1.00 0.00 N ATOM 1021 CA VAL A 71 7.764 7.823 -3.135 1.00 0.00 C ATOM 1022 C VAL A 71 7.713 8.261 -1.683 1.00 0.00 C ATOM 1023 O VAL A 71 8.023 7.487 -0.786 1.00 0.00 O ATOM 1024 CB VAL A 71 6.352 7.966 -3.747 1.00 0.00 C ATOM 1025 CG1 VAL A 71 6.355 7.537 -5.202 1.00 0.00 C ATOM 1026 CG2 VAL A 71 5.318 7.189 -2.935 1.00 0.00 C ATOM 0 H VAL A 71 7.642 5.721 -3.004 1.00 0.00 H new ATOM 0 HA VAL A 71 8.446 8.462 -3.695 1.00 0.00 H new ATOM 0 HB VAL A 71 6.068 9.018 -3.710 1.00 0.00 H new ATOM 0 HG11 VAL A 71 5.352 7.645 -5.615 1.00 0.00 H new ATOM 0 HG12 VAL A 71 7.048 8.162 -5.764 1.00 0.00 H new ATOM 0 HG13 VAL A 71 6.667 6.495 -5.273 1.00 0.00 H new ATOM 0 HG21 VAL A 71 4.334 7.308 -3.389 1.00 0.00 H new ATOM 0 HG22 VAL A 71 5.586 6.132 -2.921 1.00 0.00 H new ATOM 0 HG23 VAL A 71 5.295 7.571 -1.914 1.00 0.00 H new ATOM 1036 N THR A 72 7.311 9.484 -1.470 1.00 0.00 N ATOM 1037 CA THR A 72 7.148 10.030 -0.155 1.00 0.00 C ATOM 1038 C THR A 72 5.713 9.861 0.303 1.00 0.00 C ATOM 1039 O THR A 72 4.830 9.478 -0.497 1.00 0.00 O ATOM 1040 CB THR A 72 7.535 11.508 -0.155 1.00 0.00 C ATOM 1041 OG1 THR A 72 7.071 12.106 -1.386 1.00 0.00 O ATOM 1042 CG2 THR A 72 9.042 11.683 -0.018 1.00 0.00 C ATOM 0 H THR A 72 7.084 10.138 -2.219 1.00 0.00 H new ATOM 0 HA THR A 72 7.800 9.496 0.537 1.00 0.00 H new ATOM 0 HB THR A 72 7.070 12.000 0.699 1.00 0.00 H new ATOM 0 HG1 THR A 72 7.565 12.935 -1.553 1.00 0.00 H new ATOM 0 HG21 THR A 72 9.287 12.745 -0.021 1.00 0.00 H new ATOM 0 HG22 THR A 72 9.377 11.236 0.918 1.00 0.00 H new ATOM 0 HG23 THR A 72 9.543 11.193 -0.853 1.00 0.00 H new ATOM 1050 N GLN A 73 5.456 10.167 1.567 1.00 0.00 N ATOM 1051 CA GLN A 73 4.146 9.975 2.145 1.00 0.00 C ATOM 1052 C GLN A 73 3.122 10.881 1.475 1.00 0.00 C ATOM 1053 O GLN A 73 1.969 10.517 1.356 1.00 0.00 O ATOM 1054 CB GLN A 73 4.145 10.157 3.699 1.00 0.00 C ATOM 1055 CG GLN A 73 3.799 11.550 4.226 1.00 0.00 C ATOM 1056 CD GLN A 73 4.806 12.609 3.863 1.00 0.00 C ATOM 1057 OE1 GLN A 73 6.043 12.251 3.823 1.00 0.00 O flip ATOM 1058 NE2 GLN A 73 4.456 13.769 3.669 1.00 0.00 N flip ATOM 0 H GLN A 73 6.147 10.552 2.211 1.00 0.00 H new ATOM 0 HA GLN A 73 3.860 8.940 1.957 1.00 0.00 H new ATOM 0 HB2 GLN A 73 3.437 9.446 4.125 1.00 0.00 H new ATOM 0 HB3 GLN A 73 5.132 9.887 4.074 1.00 0.00 H new ATOM 0 HG2 GLN A 73 2.823 11.842 3.838 1.00 0.00 H new ATOM 0 HG3 GLN A 73 3.710 11.505 5.311 1.00 0.00 H new ATOM 0 HE21 GLN A 73 3.467 14.017 3.708 1.00 0.00 H new ATOM 0 HE22 GLN A 73 5.154 14.485 3.468 1.00 0.00 H new ATOM 1067 N ASN A 74 3.578 12.027 0.980 1.00 0.00 N ATOM 1068 CA ASN A 74 2.678 12.975 0.331 1.00 0.00 C ATOM 1069 C ASN A 74 2.216 12.433 -1.003 1.00 0.00 C ATOM 1070 O ASN A 74 1.097 12.700 -1.433 1.00 0.00 O ATOM 1071 CB ASN A 74 3.297 14.383 0.163 1.00 0.00 C ATOM 1072 CG ASN A 74 4.562 14.388 -0.677 1.00 0.00 C ATOM 1073 OD1 ASN A 74 4.512 14.459 -1.903 1.00 0.00 O ATOM 1074 ND2 ASN A 74 5.692 14.363 -0.036 1.00 0.00 N ATOM 0 H ASN A 74 4.554 12.320 1.015 1.00 0.00 H new ATOM 0 HA ASN A 74 1.819 13.093 0.991 1.00 0.00 H new ATOM 0 HB2 ASN A 74 2.561 15.043 -0.297 1.00 0.00 H new ATOM 0 HB3 ASN A 74 3.522 14.793 1.148 1.00 0.00 H new ATOM 0 HD21 ASN A 74 6.571 14.403 -0.551 1.00 0.00 H new ATOM 0 HD22 ASN A 74 5.700 14.304 0.982 1.00 0.00 H new ATOM 1081 N PHE A 75 3.053 11.642 -1.646 1.00 0.00 N ATOM 1082 CA PHE A 75 2.672 11.047 -2.893 1.00 0.00 C ATOM 1083 C PHE A 75 1.751 9.892 -2.597 1.00 0.00 C ATOM 1084 O PHE A 75 0.638 9.821 -3.122 1.00 0.00 O ATOM 1085 CB PHE A 75 3.888 10.552 -3.673 1.00 0.00 C ATOM 1086 CG PHE A 75 3.569 10.043 -5.072 1.00 0.00 C ATOM 1087 CD1 PHE A 75 3.038 8.775 -5.273 1.00 0.00 C ATOM 1088 CD2 PHE A 75 3.806 10.834 -6.179 1.00 0.00 C ATOM 1089 CE1 PHE A 75 2.752 8.314 -6.533 1.00 0.00 C ATOM 1090 CE2 PHE A 75 3.520 10.373 -7.449 1.00 0.00 C ATOM 1091 CZ PHE A 75 2.993 9.112 -7.626 1.00 0.00 C ATOM 0 H PHE A 75 3.990 11.404 -1.322 1.00 0.00 H new ATOM 0 HA PHE A 75 2.173 11.795 -3.509 1.00 0.00 H new ATOM 0 HB2 PHE A 75 4.611 11.364 -3.750 1.00 0.00 H new ATOM 0 HB3 PHE A 75 4.367 9.752 -3.108 1.00 0.00 H new ATOM 0 HD1 PHE A 75 2.847 8.140 -4.421 1.00 0.00 H new ATOM 0 HD2 PHE A 75 4.219 11.823 -6.050 1.00 0.00 H new ATOM 0 HE1 PHE A 75 2.338 7.325 -6.666 1.00 0.00 H new ATOM 0 HE2 PHE A 75 3.710 11.002 -8.306 1.00 0.00 H new ATOM 0 HZ PHE A 75 2.770 8.752 -8.620 1.00 0.00 H new ATOM 1101 N ALA A 76 2.210 9.012 -1.710 1.00 0.00 N ATOM 1102 CA ALA A 76 1.481 7.811 -1.348 1.00 0.00 C ATOM 1103 C ALA A 76 0.078 8.116 -0.838 1.00 0.00 C ATOM 1104 O ALA A 76 -0.886 7.558 -1.343 1.00 0.00 O ATOM 1105 CB ALA A 76 2.256 7.008 -0.334 1.00 0.00 C ATOM 0 H ALA A 76 3.101 9.117 -1.224 1.00 0.00 H new ATOM 0 HA ALA A 76 1.366 7.218 -2.255 1.00 0.00 H new ATOM 0 HB1 ALA A 76 1.694 6.111 -0.074 1.00 0.00 H new ATOM 0 HB2 ALA A 76 3.220 6.723 -0.755 1.00 0.00 H new ATOM 0 HB3 ALA A 76 2.415 7.609 0.562 1.00 0.00 H new ATOM 1111 N ALA A 77 -0.038 9.040 0.113 1.00 0.00 N ATOM 1112 CA ALA A 77 -1.340 9.398 0.687 1.00 0.00 C ATOM 1113 C ALA A 77 -2.283 9.905 -0.390 1.00 0.00 C ATOM 1114 O ALA A 77 -3.459 9.604 -0.371 1.00 0.00 O ATOM 1115 CB ALA A 77 -1.186 10.428 1.790 1.00 0.00 C ATOM 0 H ALA A 77 0.750 9.556 0.504 1.00 0.00 H new ATOM 0 HA ALA A 77 -1.771 8.497 1.124 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -2.167 10.675 2.197 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -0.556 10.022 2.582 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -0.724 11.329 1.385 1.00 0.00 H new ATOM 1121 N THR A 78 -1.742 10.631 -1.357 1.00 0.00 N ATOM 1122 CA THR A 78 -2.518 11.122 -2.477 1.00 0.00 C ATOM 1123 C THR A 78 -3.076 9.943 -3.299 1.00 0.00 C ATOM 1124 O THR A 78 -4.243 9.951 -3.693 1.00 0.00 O ATOM 1125 CB THR A 78 -1.659 12.041 -3.373 1.00 0.00 C ATOM 1126 OG1 THR A 78 -1.227 13.207 -2.640 1.00 0.00 O ATOM 1127 CG2 THR A 78 -2.398 12.460 -4.626 1.00 0.00 C ATOM 0 H THR A 78 -0.757 10.893 -1.384 1.00 0.00 H new ATOM 0 HA THR A 78 -3.353 11.704 -2.088 1.00 0.00 H new ATOM 0 HB THR A 78 -0.785 11.466 -3.678 1.00 0.00 H new ATOM 0 HG1 THR A 78 -0.307 13.076 -2.330 1.00 0.00 H new ATOM 0 HG21 THR A 78 -1.758 13.105 -5.227 1.00 0.00 H new ATOM 0 HG22 THR A 78 -2.666 11.575 -5.203 1.00 0.00 H new ATOM 0 HG23 THR A 78 -3.303 13.002 -4.351 1.00 0.00 H new ATOM 1135 N VAL A 79 -2.250 8.935 -3.526 1.00 0.00 N ATOM 1136 CA VAL A 79 -2.660 7.741 -4.263 1.00 0.00 C ATOM 1137 C VAL A 79 -3.742 7.001 -3.502 1.00 0.00 C ATOM 1138 O VAL A 79 -4.795 6.713 -4.044 1.00 0.00 O ATOM 1139 CB VAL A 79 -1.500 6.764 -4.497 1.00 0.00 C ATOM 1140 CG1 VAL A 79 -1.953 5.620 -5.393 1.00 0.00 C ATOM 1141 CG2 VAL A 79 -0.319 7.482 -5.088 1.00 0.00 C ATOM 0 H VAL A 79 -1.281 8.916 -3.209 1.00 0.00 H new ATOM 0 HA VAL A 79 -3.025 8.090 -5.229 1.00 0.00 H new ATOM 0 HB VAL A 79 -1.191 6.345 -3.539 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -1.123 4.932 -5.553 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -2.777 5.089 -4.917 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -2.284 6.018 -6.352 1.00 0.00 H new ATOM 0 HG21 VAL A 79 0.495 6.774 -5.247 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -0.604 7.928 -6.041 1.00 0.00 H new ATOM 0 HG23 VAL A 79 0.010 8.265 -4.405 1.00 0.00 H new ATOM 1151 N LEU A 80 -3.481 6.725 -2.235 1.00 0.00 N ATOM 1152 CA LEU A 80 -4.442 6.038 -1.376 1.00 0.00 C ATOM 1153 C LEU A 80 -5.731 6.869 -1.175 1.00 0.00 C ATOM 1154 O LEU A 80 -6.762 6.340 -0.781 1.00 0.00 O ATOM 1155 CB LEU A 80 -3.820 5.608 -0.016 1.00 0.00 C ATOM 1156 CG LEU A 80 -2.825 4.399 -0.012 1.00 0.00 C ATOM 1157 CD1 LEU A 80 -3.429 3.180 -0.660 1.00 0.00 C ATOM 1158 CD2 LEU A 80 -1.494 4.718 -0.658 1.00 0.00 C ATOM 0 H LEU A 80 -2.605 6.967 -1.772 1.00 0.00 H new ATOM 0 HA LEU A 80 -4.723 5.122 -1.897 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -3.299 6.470 0.400 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -4.637 5.370 0.665 1.00 0.00 H new ATOM 0 HG LEU A 80 -2.633 4.186 1.040 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -2.709 2.362 -0.638 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -4.328 2.887 -0.117 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -3.688 3.408 -1.694 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -0.852 3.838 -0.622 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -1.654 5.008 -1.696 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -1.016 5.538 -0.122 1.00 0.00 H new ATOM 1170 N ARG A 81 -5.650 8.155 -1.453 1.00 0.00 N ATOM 1171 CA ARG A 81 -6.800 9.057 -1.419 1.00 0.00 C ATOM 1172 C ARG A 81 -7.531 9.048 -2.784 1.00 0.00 C ATOM 1173 O ARG A 81 -8.732 9.301 -2.865 1.00 0.00 O ATOM 1174 CB ARG A 81 -6.318 10.487 -0.998 1.00 0.00 C ATOM 1175 CG ARG A 81 -7.354 11.613 -1.014 1.00 0.00 C ATOM 1176 CD ARG A 81 -7.532 12.204 -2.407 1.00 0.00 C ATOM 1177 NE ARG A 81 -8.656 13.160 -2.451 1.00 0.00 N ATOM 1178 CZ ARG A 81 -9.834 12.944 -3.085 1.00 0.00 C ATOM 1179 NH1 ARG A 81 -10.115 11.741 -3.605 1.00 0.00 N ATOM 1180 NH2 ARG A 81 -10.746 13.919 -3.135 1.00 0.00 N ATOM 0 H ARG A 81 -4.777 8.615 -1.713 1.00 0.00 H new ATOM 0 HA ARG A 81 -7.525 8.719 -0.678 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -5.908 10.421 0.010 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -5.499 10.774 -1.657 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -8.310 11.231 -0.657 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -7.047 12.398 -0.323 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -6.614 12.707 -2.710 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -7.707 11.402 -3.124 1.00 0.00 H new ATOM 0 HE ARG A 81 -8.537 14.050 -1.968 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -9.440 10.980 -3.525 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -11.004 11.586 -4.081 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -10.554 14.820 -2.697 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -11.635 13.762 -3.611 1.00 0.00 H new ATOM 1194 N ASN A 82 -6.798 8.741 -3.838 1.00 0.00 N ATOM 1195 CA ASN A 82 -7.340 8.710 -5.214 1.00 0.00 C ATOM 1196 C ASN A 82 -7.909 7.364 -5.572 1.00 0.00 C ATOM 1197 O ASN A 82 -8.307 7.115 -6.715 1.00 0.00 O ATOM 1198 CB ASN A 82 -6.284 9.114 -6.239 1.00 0.00 C ATOM 1199 CG ASN A 82 -6.301 10.594 -6.509 1.00 0.00 C ATOM 1200 OD1 ASN A 82 -6.957 11.054 -7.436 1.00 0.00 O ATOM 1201 ND2 ASN A 82 -5.613 11.348 -5.705 1.00 0.00 N ATOM 0 H ASN A 82 -5.808 8.504 -3.781 1.00 0.00 H new ATOM 0 HA ASN A 82 -8.152 9.437 -5.239 1.00 0.00 H new ATOM 0 HB2 ASN A 82 -5.298 8.822 -5.878 1.00 0.00 H new ATOM 0 HB3 ASN A 82 -6.456 8.573 -7.170 1.00 0.00 H new ATOM 0 HD21 ASN A 82 -5.607 12.360 -5.835 1.00 0.00 H new ATOM 0 HD22 ASN A 82 -5.079 10.928 -4.944 1.00 0.00 H new ATOM 1208 N THR A 83 -7.952 6.504 -4.609 1.00 0.00 N ATOM 1209 CA THR A 83 -8.508 5.199 -4.772 1.00 0.00 C ATOM 1210 C THR A 83 -10.046 5.255 -4.817 1.00 0.00 C ATOM 1211 O THR A 83 -10.654 6.339 -4.747 1.00 0.00 O ATOM 1212 CB THR A 83 -8.057 4.296 -3.626 1.00 0.00 C ATOM 1213 OG1 THR A 83 -8.358 4.946 -2.389 1.00 0.00 O ATOM 1214 CG2 THR A 83 -6.565 4.011 -3.718 1.00 0.00 C ATOM 0 H THR A 83 -7.596 6.690 -3.671 1.00 0.00 H new ATOM 0 HA THR A 83 -8.152 4.792 -5.719 1.00 0.00 H new ATOM 0 HB THR A 83 -8.583 3.343 -3.686 1.00 0.00 H new ATOM 0 HG1 THR A 83 -7.528 5.265 -1.977 1.00 0.00 H new ATOM 0 HG21 THR A 83 -6.266 3.366 -2.892 1.00 0.00 H new ATOM 0 HG22 THR A 83 -6.347 3.514 -4.663 1.00 0.00 H new ATOM 0 HG23 THR A 83 -6.012 4.949 -3.665 1.00 0.00 H new ATOM 1222 N LYS A 84 -10.646 4.107 -4.927 1.00 0.00 N ATOM 1223 CA LYS A 84 -12.070 3.936 -4.969 1.00 0.00 C ATOM 1224 C LYS A 84 -12.380 2.541 -4.463 1.00 0.00 C ATOM 1225 O LYS A 84 -11.529 1.970 -3.804 1.00 0.00 O ATOM 1226 CB LYS A 84 -12.645 4.253 -6.390 1.00 0.00 C ATOM 1227 CG LYS A 84 -11.936 3.644 -7.610 1.00 0.00 C ATOM 1228 CD LYS A 84 -12.106 2.140 -7.720 1.00 0.00 C ATOM 1229 CE LYS A 84 -11.626 1.616 -9.067 1.00 0.00 C ATOM 1230 NZ LYS A 84 -12.427 2.149 -10.185 1.00 0.00 N ATOM 0 H LYS A 84 -10.136 3.226 -4.993 1.00 0.00 H new ATOM 0 HA LYS A 84 -12.573 4.651 -4.318 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -13.684 3.925 -6.410 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -12.650 5.336 -6.514 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -12.321 4.113 -8.516 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -10.873 3.879 -7.557 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -11.550 1.651 -6.920 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -13.156 1.881 -7.582 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -10.580 1.887 -9.209 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -11.677 0.527 -9.071 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -12.762 1.363 -10.778 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -13.244 2.671 -9.809 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -11.841 2.790 -10.758 1.00 0.00 H new ATOM 1244 N GLY A 85 -13.574 2.033 -4.726 1.00 0.00 N ATOM 1245 CA GLY A 85 -13.965 0.692 -4.304 1.00 0.00 C ATOM 1246 C GLY A 85 -12.951 -0.402 -4.647 1.00 0.00 C ATOM 1247 O GLY A 85 -12.278 -0.909 -3.766 1.00 0.00 O ATOM 0 H GLY A 85 -14.300 2.536 -5.237 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -14.125 0.696 -3.226 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -14.920 0.443 -4.767 1.00 0.00 H new ATOM 1251 N ASN A 86 -12.853 -0.770 -5.903 1.00 0.00 N ATOM 1252 CA ASN A 86 -11.917 -1.832 -6.310 1.00 0.00 C ATOM 1253 C ASN A 86 -10.510 -1.294 -6.504 1.00 0.00 C ATOM 1254 O ASN A 86 -10.215 -0.629 -7.501 1.00 0.00 O ATOM 1255 CB ASN A 86 -12.380 -2.551 -7.581 1.00 0.00 C ATOM 1256 CG ASN A 86 -13.698 -3.292 -7.408 1.00 0.00 C ATOM 1257 OD1 ASN A 86 -14.776 -2.740 -7.640 1.00 0.00 O ATOM 1258 ND2 ASN A 86 -13.635 -4.540 -7.016 1.00 0.00 N ATOM 0 H ASN A 86 -13.396 -0.365 -6.665 1.00 0.00 H new ATOM 0 HA ASN A 86 -11.903 -2.556 -5.496 1.00 0.00 H new ATOM 0 HB2 ASN A 86 -12.484 -1.822 -8.385 1.00 0.00 H new ATOM 0 HB3 ASN A 86 -11.611 -3.259 -7.890 1.00 0.00 H new ATOM 0 HD21 ASN A 86 -14.492 -5.081 -6.896 1.00 0.00 H new ATOM 0 HD22 ASN A 86 -12.729 -4.971 -6.831 1.00 0.00 H new ATOM 1265 N VAL A 87 -9.646 -1.574 -5.564 1.00 0.00 N ATOM 1266 CA VAL A 87 -8.283 -1.076 -5.607 1.00 0.00 C ATOM 1267 C VAL A 87 -7.338 -2.213 -5.756 1.00 0.00 C ATOM 1268 O VAL A 87 -7.487 -3.208 -5.094 1.00 0.00 O ATOM 1269 CB VAL A 87 -7.871 -0.412 -4.308 1.00 0.00 C ATOM 1270 CG1 VAL A 87 -6.694 0.523 -4.518 1.00 0.00 C ATOM 1271 CG2 VAL A 87 -9.021 0.241 -3.621 1.00 0.00 C ATOM 0 H VAL A 87 -9.858 -2.149 -4.749 1.00 0.00 H new ATOM 0 HA VAL A 87 -8.250 -0.369 -6.436 1.00 0.00 H new ATOM 0 HB VAL A 87 -7.531 -1.194 -3.630 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -6.422 0.984 -3.569 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -5.845 -0.042 -4.904 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -6.969 1.299 -5.233 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -8.677 0.703 -2.696 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -9.447 1.005 -4.271 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -9.781 -0.507 -3.393 1.00 0.00 H new ATOM 1281 N ARG A 88 -6.366 -2.058 -6.579 1.00 0.00 N ATOM 1282 CA ARG A 88 -5.343 -3.042 -6.721 1.00 0.00 C ATOM 1283 C ARG A 88 -4.130 -2.619 -5.933 1.00 0.00 C ATOM 1284 O ARG A 88 -3.377 -1.725 -6.342 1.00 0.00 O ATOM 1285 CB ARG A 88 -5.031 -3.254 -8.185 1.00 0.00 C ATOM 1286 CG ARG A 88 -6.203 -3.853 -8.924 1.00 0.00 C ATOM 1287 CD ARG A 88 -6.012 -3.805 -10.409 1.00 0.00 C ATOM 1288 NE ARG A 88 -7.157 -4.373 -11.128 1.00 0.00 N ATOM 1289 CZ ARG A 88 -7.529 -4.025 -12.367 1.00 0.00 C ATOM 1290 NH1 ARG A 88 -6.901 -3.032 -13.004 1.00 0.00 N ATOM 1291 NH2 ARG A 88 -8.551 -4.646 -12.952 1.00 0.00 N ATOM 0 H ARG A 88 -6.252 -1.241 -7.179 1.00 0.00 H new ATOM 0 HA ARG A 88 -5.682 -3.998 -6.323 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -4.761 -2.302 -8.641 1.00 0.00 H new ATOM 0 HB3 ARG A 88 -4.166 -3.910 -8.282 1.00 0.00 H new ATOM 0 HG2 ARG A 88 -6.340 -4.887 -8.609 1.00 0.00 H new ATOM 0 HG3 ARG A 88 -7.113 -3.315 -8.658 1.00 0.00 H new ATOM 0 HD2 ARG A 88 -5.863 -2.772 -10.722 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -5.108 -4.352 -10.676 1.00 0.00 H new ATOM 0 HE ARG A 88 -7.710 -5.084 -10.650 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -6.136 -2.536 -12.547 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -7.187 -2.770 -13.947 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -9.049 -5.385 -12.457 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -8.836 -4.382 -13.895 1.00 0.00 H new ATOM 1305 N PHE A 89 -4.011 -3.185 -4.758 1.00 0.00 N ATOM 1306 CA PHE A 89 -2.893 -2.936 -3.887 1.00 0.00 C ATOM 1307 C PHE A 89 -1.848 -3.963 -4.152 1.00 0.00 C ATOM 1308 O PHE A 89 -1.976 -5.096 -3.722 1.00 0.00 O ATOM 1309 CB PHE A 89 -3.277 -3.055 -2.410 1.00 0.00 C ATOM 1310 CG PHE A 89 -4.330 -2.122 -1.927 1.00 0.00 C ATOM 1311 CD1 PHE A 89 -3.992 -0.875 -1.463 1.00 0.00 C ATOM 1312 CD2 PHE A 89 -5.657 -2.502 -1.914 1.00 0.00 C ATOM 1313 CE1 PHE A 89 -4.951 -0.015 -0.999 1.00 0.00 C ATOM 1314 CE2 PHE A 89 -6.622 -1.644 -1.445 1.00 0.00 C ATOM 1315 CZ PHE A 89 -6.265 -0.398 -0.987 1.00 0.00 C ATOM 0 H PHE A 89 -4.695 -3.838 -4.377 1.00 0.00 H new ATOM 0 HA PHE A 89 -2.542 -1.923 -4.083 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -3.612 -4.075 -2.225 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -2.381 -2.900 -1.810 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -2.956 -0.568 -1.464 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -5.938 -3.480 -2.275 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -4.671 0.965 -0.643 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -7.658 -1.948 -1.436 1.00 0.00 H new ATOM 0 HZ PHE A 89 -7.021 0.279 -0.618 1.00 0.00 H new ATOM 1325 N VAL A 90 -0.858 -3.614 -4.866 1.00 0.00 N ATOM 1326 CA VAL A 90 0.197 -4.524 -5.113 1.00 0.00 C ATOM 1327 C VAL A 90 1.232 -4.292 -4.044 1.00 0.00 C ATOM 1328 O VAL A 90 1.967 -3.326 -4.067 1.00 0.00 O ATOM 1329 CB VAL A 90 0.808 -4.363 -6.513 1.00 0.00 C ATOM 1330 CG1 VAL A 90 1.939 -5.365 -6.741 1.00 0.00 C ATOM 1331 CG2 VAL A 90 -0.261 -4.512 -7.580 1.00 0.00 C ATOM 0 H VAL A 90 -0.748 -2.696 -5.298 1.00 0.00 H new ATOM 0 HA VAL A 90 -0.187 -5.544 -5.082 1.00 0.00 H new ATOM 0 HB VAL A 90 1.231 -3.361 -6.582 1.00 0.00 H new ATOM 0 HG11 VAL A 90 2.352 -5.227 -7.740 1.00 0.00 H new ATOM 0 HG12 VAL A 90 2.722 -5.205 -6.000 1.00 0.00 H new ATOM 0 HG13 VAL A 90 1.551 -6.379 -6.646 1.00 0.00 H new ATOM 0 HG21 VAL A 90 0.190 -4.395 -8.565 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -0.716 -5.500 -7.504 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -1.026 -3.748 -7.438 1.00 0.00 H new ATOM 1341 N ILE A 91 1.125 -5.064 -3.043 1.00 0.00 N ATOM 1342 CA ILE A 91 1.998 -5.066 -1.915 1.00 0.00 C ATOM 1343 C ILE A 91 2.890 -6.295 -1.996 1.00 0.00 C ATOM 1344 O ILE A 91 2.607 -7.194 -2.757 1.00 0.00 O ATOM 1345 CB ILE A 91 1.093 -5.074 -0.661 1.00 0.00 C ATOM 1346 CG1 ILE A 91 0.375 -3.735 -0.598 1.00 0.00 C ATOM 1347 CG2 ILE A 91 1.827 -5.387 0.642 1.00 0.00 C ATOM 1348 CD1 ILE A 91 -0.650 -3.645 0.450 1.00 0.00 C ATOM 0 H ILE A 91 0.384 -5.761 -2.970 1.00 0.00 H new ATOM 0 HA ILE A 91 2.653 -4.195 -1.879 1.00 0.00 H new ATOM 0 HB ILE A 91 0.380 -5.892 -0.761 1.00 0.00 H new ATOM 0 HG12 ILE A 91 1.112 -2.948 -0.437 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -0.092 -3.541 -1.564 1.00 0.00 H new ATOM 0 HG21 ILE A 91 1.119 -5.372 1.471 1.00 0.00 H new ATOM 0 HG22 ILE A 91 2.285 -6.374 0.574 1.00 0.00 H new ATOM 0 HG23 ILE A 91 2.601 -4.639 0.812 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -1.111 -2.658 0.424 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -1.412 -4.406 0.280 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -0.189 -3.804 1.425 1.00 0.00 H new ATOM 1360 N GLY A 92 3.966 -6.319 -1.265 1.00 0.00 N ATOM 1361 CA GLY A 92 4.812 -7.449 -1.310 1.00 0.00 C ATOM 1362 C GLY A 92 5.324 -7.830 0.054 1.00 0.00 C ATOM 1363 O GLY A 92 5.289 -7.016 0.989 1.00 0.00 O ATOM 0 H GLY A 92 4.267 -5.571 -0.640 1.00 0.00 H new ATOM 0 HA2 GLY A 92 4.269 -8.290 -1.741 1.00 0.00 H new ATOM 0 HA3 GLY A 92 5.656 -7.243 -1.969 1.00 0.00 H new ATOM 1367 N ARG A 93 5.785 -9.047 0.173 1.00 0.00 N ATOM 1368 CA ARG A 93 6.340 -9.564 1.399 1.00 0.00 C ATOM 1369 C ARG A 93 7.510 -10.462 1.064 1.00 0.00 C ATOM 1370 O ARG A 93 7.485 -11.148 0.034 1.00 0.00 O ATOM 1371 CB ARG A 93 5.320 -10.398 2.131 1.00 0.00 C ATOM 1372 CG ARG A 93 5.769 -10.708 3.535 1.00 0.00 C ATOM 1373 CD ARG A 93 4.897 -11.714 4.177 1.00 0.00 C ATOM 1374 NE ARG A 93 5.029 -13.036 3.525 1.00 0.00 N ATOM 1375 CZ ARG A 93 4.035 -13.691 2.887 1.00 0.00 C ATOM 1376 NH1 ARG A 93 2.815 -13.170 2.834 1.00 0.00 N ATOM 1377 NH2 ARG A 93 4.273 -14.866 2.298 1.00 0.00 N ATOM 0 H ARG A 93 5.786 -9.720 -0.593 1.00 0.00 H new ATOM 0 HA ARG A 93 6.647 -8.725 2.023 1.00 0.00 H new ATOM 0 HB2 ARG A 93 4.368 -9.868 2.161 1.00 0.00 H new ATOM 0 HB3 ARG A 93 5.151 -11.328 1.588 1.00 0.00 H new ATOM 0 HG2 ARG A 93 6.795 -11.074 3.516 1.00 0.00 H new ATOM 0 HG3 ARG A 93 5.768 -9.793 4.128 1.00 0.00 H new ATOM 0 HD2 ARG A 93 5.154 -11.800 5.233 1.00 0.00 H new ATOM 0 HD3 ARG A 93 3.859 -11.384 4.127 1.00 0.00 H new ATOM 0 HE ARG A 93 5.943 -13.488 3.560 1.00 0.00 H new ATOM 0 HH11 ARG A 93 2.625 -12.271 3.276 1.00 0.00 H new ATOM 0 HH12 ARG A 93 2.068 -13.669 2.351 1.00 0.00 H new ATOM 0 HH21 ARG A 93 5.208 -15.272 2.329 1.00 0.00 H new ATOM 0 HH22 ARG A 93 3.519 -15.357 1.817 1.00 0.00 H new ATOM 1391 N GLU A 94 8.521 -10.446 1.884 1.00 0.00 N ATOM 1392 CA GLU A 94 9.658 -11.316 1.712 1.00 0.00 C ATOM 1393 C GLU A 94 9.346 -12.687 2.303 1.00 0.00 C ATOM 1394 O GLU A 94 9.417 -13.689 1.573 1.00 0.00 O ATOM 1395 CB GLU A 94 10.933 -10.706 2.312 1.00 0.00 C ATOM 1396 CG GLU A 94 10.782 -10.202 3.736 1.00 0.00 C ATOM 1397 CD GLU A 94 12.076 -9.710 4.318 1.00 0.00 C ATOM 1398 OE1 GLU A 94 12.550 -8.632 3.920 1.00 0.00 O ATOM 1399 OE2 GLU A 94 12.629 -10.382 5.222 1.00 0.00 O ATOM 0 H GLU A 94 8.584 -9.829 2.694 1.00 0.00 H new ATOM 0 HA GLU A 94 9.851 -11.437 0.646 1.00 0.00 H new ATOM 0 HB2 GLU A 94 11.725 -11.455 2.287 1.00 0.00 H new ATOM 0 HB3 GLU A 94 11.257 -9.879 1.680 1.00 0.00 H new ATOM 0 HG2 GLU A 94 10.050 -9.395 3.755 1.00 0.00 H new ATOM 0 HG3 GLU A 94 10.389 -11.004 4.361 1.00 0.00 H new TER 1406 GLU A 94