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= 0.0181 USER MOD Set 1.2: A 74 ASN : amide:sc= -0.0114 X(o=0.0067,f=0.16) USER MOD Single : A 1 GLY N :NH3+ 175:sc= 1.65 (180deg=1.44) USER MOD Single : A 2 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 3 MET CE :methyl -116:sc= -0.105 (180deg=-0.454) USER MOD Single : A 12 LYS NZ :NH3+ -166:sc= 2.43 (180deg=2.01) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 24 MET CE :methyl -164:sc= -0.056 (180deg=-0.429) USER MOD Single : A 34 LYS NZ :NH3+ -120:sc= 0 (180deg=-0.683) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 THR OG1 : rot 180:sc= -0.132 USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 GLN : amide:sc= -1.55! X(o=-1.5!,f=-1.4) USER MOD Single : A 55 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 57 ASN : amide:sc= 0 X(o=0,f=-0.021) USER MOD Single : A 59 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 67 SER OG : rot 41:sc= 0.271 USER MOD Single : A 73 GLN :FLIP amide:sc=-0.00899 F(o=-1.2,f=-0.009) USER MOD Single : A 78 THR OG1 : rot 87:sc= 1.26 USER MOD Single : A 82 ASN : amide:sc= 1.13 K(o=1.1,f=0) USER MOD Single : A 83 THR OG1 : rot 60:sc= 0.0869 USER MOD Single : A 84 LYS NZ :NH3+ 161:sc= -0.0857 (180deg=-0.55) USER MOD Single : A 86 ASN :FLIP amide:sc= -0.371 F(o=-2.4,f=-0.37) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 15.450 -8.397 0.902 1.00 0.00 N ATOM 2 CA GLY A 1 15.919 -9.283 -0.153 1.00 0.00 C ATOM 3 C GLY A 1 14.983 -9.230 -1.314 1.00 0.00 C ATOM 4 O GLY A 1 14.643 -8.140 -1.787 1.00 0.00 O ATOM 0 H1 GLY A 1 16.058 -8.502 1.739 1.00 0.00 H new ATOM 0 H2 GLY A 1 15.485 -7.412 0.570 1.00 0.00 H new ATOM 0 H3 GLY A 1 14.471 -8.643 1.152 1.00 0.00 H new ATOM 0 HA2 GLY A 1 16.920 -8.989 -0.468 1.00 0.00 H new ATOM 0 HA3 GLY A 1 15.990 -10.304 0.222 1.00 0.00 H new ATOM 10 N HIS A 2 14.538 -10.384 -1.773 1.00 0.00 N ATOM 11 CA HIS A 2 13.569 -10.437 -2.845 1.00 0.00 C ATOM 12 C HIS A 2 12.172 -10.274 -2.309 1.00 0.00 C ATOM 13 O HIS A 2 11.609 -11.194 -1.706 1.00 0.00 O ATOM 14 CB HIS A 2 13.660 -11.728 -3.662 1.00 0.00 C ATOM 15 CG HIS A 2 14.799 -11.782 -4.630 1.00 0.00 C ATOM 16 ND1 HIS A 2 14.633 -11.678 -5.990 1.00 0.00 N ATOM 17 CD2 HIS A 2 16.126 -11.968 -4.429 1.00 0.00 C ATOM 18 CE1 HIS A 2 15.826 -11.799 -6.567 1.00 0.00 C ATOM 19 NE2 HIS A 2 16.775 -11.979 -5.661 1.00 0.00 N ATOM 0 H HIS A 2 14.833 -11.294 -1.420 1.00 0.00 H new ATOM 0 HA HIS A 2 13.804 -9.609 -3.513 1.00 0.00 H new ATOM 0 HB2 HIS A 2 13.746 -12.570 -2.975 1.00 0.00 H new ATOM 0 HB3 HIS A 2 12.728 -11.859 -4.212 1.00 0.00 H new ATOM 0 HD2 HIS A 2 16.604 -12.088 -3.468 1.00 0.00 H new ATOM 0 HE1 HIS A 2 15.997 -11.756 -7.632 1.00 0.00 H new ATOM 0 HE2 HIS A 2 17.773 -12.100 -5.830 1.00 0.00 H new ATOM 27 N MET A 3 11.635 -9.105 -2.490 1.00 0.00 N ATOM 28 CA MET A 3 10.283 -8.800 -2.090 1.00 0.00 C ATOM 29 C MET A 3 9.328 -9.543 -3.008 1.00 0.00 C ATOM 30 O MET A 3 9.452 -9.467 -4.227 1.00 0.00 O ATOM 31 CB MET A 3 10.029 -7.295 -2.209 1.00 0.00 C ATOM 32 CG MET A 3 8.671 -6.840 -1.714 1.00 0.00 C ATOM 33 SD MET A 3 8.493 -6.923 0.073 1.00 0.00 S ATOM 34 CE MET A 3 9.617 -5.640 0.597 1.00 0.00 C ATOM 0 H MET A 3 12.125 -8.323 -2.924 1.00 0.00 H new ATOM 0 HA MET A 3 10.129 -9.105 -1.055 1.00 0.00 H new ATOM 0 HB2 MET A 3 10.800 -6.765 -1.650 1.00 0.00 H new ATOM 0 HB3 MET A 3 10.136 -7.004 -3.254 1.00 0.00 H new ATOM 0 HG2 MET A 3 8.499 -5.814 -2.041 1.00 0.00 H new ATOM 0 HG3 MET A 3 7.900 -7.456 -2.177 1.00 0.00 H new ATOM 0 HE1 MET A 3 10.430 -6.082 1.174 1.00 0.00 H new ATOM 0 HE2 MET A 3 10.026 -5.135 -0.278 1.00 0.00 H new ATOM 0 HE3 MET A 3 9.083 -4.919 1.216 1.00 0.00 H new ATOM 44 N GLU A 4 8.422 -10.273 -2.444 1.00 0.00 N ATOM 45 CA GLU A 4 7.443 -10.980 -3.228 1.00 0.00 C ATOM 46 C GLU A 4 6.296 -10.038 -3.510 1.00 0.00 C ATOM 47 O GLU A 4 5.519 -9.765 -2.616 1.00 0.00 O ATOM 48 CB GLU A 4 6.946 -12.194 -2.457 1.00 0.00 C ATOM 49 CG GLU A 4 5.911 -13.025 -3.182 1.00 0.00 C ATOM 50 CD GLU A 4 5.418 -14.152 -2.333 1.00 0.00 C ATOM 51 OE1 GLU A 4 6.117 -15.170 -2.222 1.00 0.00 O ATOM 52 OE2 GLU A 4 4.335 -14.052 -1.753 1.00 0.00 O ATOM 0 H GLU A 4 8.333 -10.401 -1.436 1.00 0.00 H new ATOM 0 HA GLU A 4 7.883 -11.323 -4.165 1.00 0.00 H new ATOM 0 HB2 GLU A 4 7.799 -12.829 -2.218 1.00 0.00 H new ATOM 0 HB3 GLU A 4 6.523 -11.858 -1.510 1.00 0.00 H new ATOM 0 HG2 GLU A 4 5.072 -12.392 -3.470 1.00 0.00 H new ATOM 0 HG3 GLU A 4 6.341 -13.422 -4.101 1.00 0.00 H new ATOM 59 N LEU A 5 6.233 -9.495 -4.715 1.00 0.00 N ATOM 60 CA LEU A 5 5.169 -8.568 -5.061 1.00 0.00 C ATOM 61 C LEU A 5 3.956 -9.339 -5.490 1.00 0.00 C ATOM 62 O LEU A 5 4.062 -10.273 -6.303 1.00 0.00 O ATOM 63 CB LEU A 5 5.563 -7.583 -6.186 1.00 0.00 C ATOM 64 CG LEU A 5 6.839 -6.759 -6.002 1.00 0.00 C ATOM 65 CD1 LEU A 5 6.913 -6.158 -4.624 1.00 0.00 C ATOM 66 CD2 LEU A 5 8.092 -7.544 -6.358 1.00 0.00 C ATOM 0 H LEU A 5 6.900 -9.678 -5.464 1.00 0.00 H new ATOM 0 HA LEU A 5 4.964 -7.976 -4.169 1.00 0.00 H new ATOM 0 HB2 LEU A 5 5.663 -8.153 -7.110 1.00 0.00 H new ATOM 0 HB3 LEU A 5 4.734 -6.889 -6.328 1.00 0.00 H new ATOM 0 HG LEU A 5 6.790 -5.932 -6.710 1.00 0.00 H new ATOM 0 HD11 LEU A 5 7.832 -5.580 -4.528 1.00 0.00 H new ATOM 0 HD12 LEU A 5 6.055 -5.505 -4.465 1.00 0.00 H new ATOM 0 HD13 LEU A 5 6.906 -6.954 -3.879 1.00 0.00 H new ATOM 0 HD21 LEU A 5 8.970 -6.915 -6.210 1.00 0.00 H new ATOM 0 HD22 LEU A 5 8.164 -8.424 -5.718 1.00 0.00 H new ATOM 0 HD23 LEU A 5 8.041 -7.857 -7.401 1.00 0.00 H new ATOM 78 N PHE A 6 2.833 -8.982 -4.952 1.00 0.00 N ATOM 79 CA PHE A 6 1.600 -9.608 -5.273 1.00 0.00 C ATOM 80 C PHE A 6 0.453 -8.600 -5.369 1.00 0.00 C ATOM 81 O PHE A 6 0.360 -7.658 -4.588 1.00 0.00 O ATOM 82 CB PHE A 6 1.265 -10.745 -4.299 1.00 0.00 C ATOM 83 CG PHE A 6 1.356 -10.425 -2.836 1.00 0.00 C ATOM 84 CD1 PHE A 6 0.284 -9.858 -2.182 1.00 0.00 C ATOM 85 CD2 PHE A 6 2.498 -10.712 -2.115 1.00 0.00 C ATOM 86 CE1 PHE A 6 0.340 -9.574 -0.835 1.00 0.00 C ATOM 87 CE2 PHE A 6 2.571 -10.430 -0.767 1.00 0.00 C ATOM 88 CZ PHE A 6 1.488 -9.859 -0.124 1.00 0.00 C ATOM 0 H PHE A 6 2.751 -8.233 -4.265 1.00 0.00 H new ATOM 0 HA PHE A 6 1.723 -10.052 -6.261 1.00 0.00 H new ATOM 0 HB2 PHE A 6 0.252 -11.087 -4.510 1.00 0.00 H new ATOM 0 HB3 PHE A 6 1.934 -11.580 -4.507 1.00 0.00 H new ATOM 0 HD1 PHE A 6 -0.616 -9.632 -2.735 1.00 0.00 H new ATOM 0 HD2 PHE A 6 3.344 -11.163 -2.613 1.00 0.00 H new ATOM 0 HE1 PHE A 6 -0.510 -9.131 -0.338 1.00 0.00 H new ATOM 0 HE2 PHE A 6 3.472 -10.655 -0.215 1.00 0.00 H new ATOM 0 HZ PHE A 6 1.540 -9.637 0.932 1.00 0.00 H new ATOM 98 N PRO A 7 -0.398 -8.768 -6.356 1.00 0.00 N ATOM 99 CA PRO A 7 -1.553 -7.912 -6.554 1.00 0.00 C ATOM 100 C PRO A 7 -2.726 -8.294 -5.670 1.00 0.00 C ATOM 101 O PRO A 7 -3.188 -9.445 -5.670 1.00 0.00 O ATOM 102 CB PRO A 7 -1.923 -8.160 -7.992 1.00 0.00 C ATOM 103 CG PRO A 7 -1.479 -9.564 -8.256 1.00 0.00 C ATOM 104 CD PRO A 7 -0.290 -9.803 -7.389 1.00 0.00 C ATOM 0 HA PRO A 7 -1.323 -6.875 -6.310 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -2.995 -8.046 -8.151 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -1.425 -7.455 -8.657 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -2.275 -10.272 -8.026 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -1.226 -9.699 -9.307 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -0.305 -10.803 -6.956 1.00 0.00 H new ATOM 0 HD3 PRO A 7 0.640 -9.712 -7.951 1.00 0.00 H new ATOM 112 N VAL A 8 -3.189 -7.359 -4.919 1.00 0.00 N ATOM 113 CA VAL A 8 -4.340 -7.550 -4.101 1.00 0.00 C ATOM 114 C VAL A 8 -5.433 -6.669 -4.622 1.00 0.00 C ATOM 115 O VAL A 8 -5.366 -5.450 -4.485 1.00 0.00 O ATOM 116 CB VAL A 8 -4.087 -7.190 -2.618 1.00 0.00 C ATOM 117 CG1 VAL A 8 -5.275 -7.560 -1.744 1.00 0.00 C ATOM 118 CG2 VAL A 8 -2.812 -7.814 -2.110 1.00 0.00 C ATOM 0 H VAL A 8 -2.777 -6.428 -4.852 1.00 0.00 H new ATOM 0 HA VAL A 8 -4.607 -8.606 -4.142 1.00 0.00 H new ATOM 0 HB VAL A 8 -3.966 -6.108 -2.561 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -5.062 -7.293 -0.709 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -6.159 -7.020 -2.084 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -5.457 -8.633 -1.812 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -2.664 -7.541 -1.065 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -2.878 -8.899 -2.196 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -1.970 -7.454 -2.701 1.00 0.00 H new ATOM 128 N GLU A 9 -6.391 -7.249 -5.261 1.00 0.00 N ATOM 129 CA GLU A 9 -7.481 -6.485 -5.745 1.00 0.00 C ATOM 130 C GLU A 9 -8.526 -6.444 -4.657 1.00 0.00 C ATOM 131 O GLU A 9 -9.137 -7.456 -4.322 1.00 0.00 O ATOM 132 CB GLU A 9 -8.029 -7.071 -7.029 1.00 0.00 C ATOM 133 CG GLU A 9 -8.977 -6.148 -7.758 1.00 0.00 C ATOM 134 CD GLU A 9 -9.481 -6.751 -9.028 1.00 0.00 C ATOM 135 OE1 GLU A 9 -8.709 -6.838 -10.010 1.00 0.00 O ATOM 136 OE2 GLU A 9 -10.669 -7.128 -9.084 1.00 0.00 O ATOM 0 H GLU A 9 -6.439 -8.249 -5.458 1.00 0.00 H new ATOM 0 HA GLU A 9 -7.160 -5.472 -5.987 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -7.198 -7.320 -7.689 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -8.546 -8.003 -6.802 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -9.821 -5.910 -7.110 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -8.470 -5.209 -7.979 1.00 0.00 H new ATOM 143 N LEU A 10 -8.678 -5.306 -4.072 1.00 0.00 N ATOM 144 CA LEU A 10 -9.577 -5.145 -2.985 1.00 0.00 C ATOM 145 C LEU A 10 -10.818 -4.506 -3.541 1.00 0.00 C ATOM 146 O LEU A 10 -10.742 -3.792 -4.549 1.00 0.00 O ATOM 147 CB LEU A 10 -8.934 -4.195 -1.965 1.00 0.00 C ATOM 148 CG LEU A 10 -9.086 -4.509 -0.463 1.00 0.00 C ATOM 149 CD1 LEU A 10 -10.532 -4.653 -0.042 1.00 0.00 C ATOM 150 CD2 LEU A 10 -8.280 -5.735 -0.090 1.00 0.00 C ATOM 0 H LEU A 10 -8.179 -4.457 -4.337 1.00 0.00 H new ATOM 0 HA LEU A 10 -9.808 -6.095 -2.504 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -7.868 -4.145 -2.186 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -9.342 -3.199 -2.138 1.00 0.00 H new ATOM 0 HG LEU A 10 -8.690 -3.654 0.085 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -10.580 -4.874 1.024 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -11.064 -3.724 -0.245 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -10.995 -5.466 -0.602 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -8.401 -5.940 0.974 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -8.631 -6.591 -0.666 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -7.227 -5.558 -0.308 1.00 0.00 H new ATOM 162 N GLU A 11 -11.940 -4.794 -2.967 1.00 0.00 N ATOM 163 CA GLU A 11 -13.130 -4.100 -3.318 1.00 0.00 C ATOM 164 C GLU A 11 -13.660 -3.428 -2.072 1.00 0.00 C ATOM 165 O GLU A 11 -14.339 -4.048 -1.255 1.00 0.00 O ATOM 166 CB GLU A 11 -14.182 -5.008 -3.939 1.00 0.00 C ATOM 167 CG GLU A 11 -15.401 -4.240 -4.424 1.00 0.00 C ATOM 168 CD GLU A 11 -16.482 -5.133 -4.924 1.00 0.00 C ATOM 169 OE1 GLU A 11 -17.281 -5.609 -4.105 1.00 0.00 O ATOM 170 OE2 GLU A 11 -16.556 -5.373 -6.145 1.00 0.00 O ATOM 0 H GLU A 11 -12.055 -5.510 -2.249 1.00 0.00 H new ATOM 0 HA GLU A 11 -12.894 -3.361 -4.084 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -13.741 -5.550 -4.776 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -14.493 -5.752 -3.206 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -15.788 -3.629 -3.609 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -15.102 -3.557 -5.220 1.00 0.00 H new ATOM 177 N LYS A 12 -13.272 -2.201 -1.893 1.00 0.00 N ATOM 178 CA LYS A 12 -13.669 -1.443 -0.759 1.00 0.00 C ATOM 179 C LYS A 12 -15.021 -0.807 -0.888 1.00 0.00 C ATOM 180 O LYS A 12 -15.670 -0.829 -1.939 1.00 0.00 O ATOM 181 CB LYS A 12 -12.621 -0.399 -0.347 1.00 0.00 C ATOM 182 CG LYS A 12 -11.482 -0.945 0.513 1.00 0.00 C ATOM 183 CD LYS A 12 -11.987 -1.607 1.817 1.00 0.00 C ATOM 184 CE LYS A 12 -11.885 -0.770 3.109 1.00 0.00 C ATOM 185 NZ LYS A 12 -12.808 0.393 3.152 1.00 0.00 N ATOM 0 H LYS A 12 -12.665 -1.699 -2.540 1.00 0.00 H new ATOM 0 HA LYS A 12 -13.747 -2.182 0.039 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -12.198 0.046 -1.247 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -13.120 0.401 0.200 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -10.913 -1.674 -0.064 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -10.799 -0.133 0.763 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -13.031 -1.885 1.674 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -11.429 -2.531 1.967 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -12.090 -1.415 3.964 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -10.861 -0.412 3.217 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -12.524 1.033 3.921 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -12.768 0.902 2.246 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -13.779 0.060 3.319 1.00 0.00 H new ATOM 199 N ASP A 13 -15.405 -0.253 0.216 1.00 0.00 N ATOM 200 CA ASP A 13 -16.637 0.439 0.442 1.00 0.00 C ATOM 201 C ASP A 13 -16.577 1.780 -0.272 1.00 0.00 C ATOM 202 O ASP A 13 -15.500 2.197 -0.715 1.00 0.00 O ATOM 203 CB ASP A 13 -16.744 0.703 1.954 1.00 0.00 C ATOM 204 CG ASP A 13 -16.396 -0.513 2.804 1.00 0.00 C ATOM 205 OD1 ASP A 13 -15.155 -0.800 2.999 1.00 0.00 O ATOM 206 OD2 ASP A 13 -17.311 -1.189 3.288 1.00 0.00 O ATOM 0 H ASP A 13 -14.820 -0.273 1.051 1.00 0.00 H new ATOM 0 HA ASP A 13 -17.485 -0.143 0.080 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -16.080 1.526 2.220 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -17.759 1.024 2.189 1.00 0.00 H new ATOM 211 N GLU A 14 -17.697 2.488 -0.326 1.00 0.00 N ATOM 212 CA GLU A 14 -17.739 3.808 -0.963 1.00 0.00 C ATOM 213 C GLU A 14 -16.942 4.825 -0.137 1.00 0.00 C ATOM 214 O GLU A 14 -16.588 5.902 -0.616 1.00 0.00 O ATOM 215 CB GLU A 14 -19.181 4.283 -1.177 1.00 0.00 C ATOM 216 CG GLU A 14 -19.993 4.417 0.096 1.00 0.00 C ATOM 217 CD GLU A 14 -21.379 4.922 -0.168 1.00 0.00 C ATOM 218 OE1 GLU A 14 -22.274 4.110 -0.439 1.00 0.00 O ATOM 219 OE2 GLU A 14 -21.600 6.154 -0.114 1.00 0.00 O ATOM 0 H GLU A 14 -18.588 2.177 0.060 1.00 0.00 H new ATOM 0 HA GLU A 14 -17.276 3.722 -1.946 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -19.161 5.248 -1.684 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -19.686 3.583 -1.843 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -20.049 3.448 0.593 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -19.484 5.097 0.780 1.00 0.00 H new ATOM 226 N ASP A 15 -16.676 4.466 1.111 1.00 0.00 N ATOM 227 CA ASP A 15 -15.828 5.265 1.992 1.00 0.00 C ATOM 228 C ASP A 15 -14.432 5.381 1.404 1.00 0.00 C ATOM 229 O ASP A 15 -13.744 6.399 1.544 1.00 0.00 O ATOM 230 CB ASP A 15 -15.728 4.616 3.364 1.00 0.00 C ATOM 231 CG ASP A 15 -14.830 5.386 4.310 1.00 0.00 C ATOM 232 OD1 ASP A 15 -15.268 6.436 4.834 1.00 0.00 O ATOM 233 OD2 ASP A 15 -13.684 4.951 4.549 1.00 0.00 O ATOM 0 H ASP A 15 -17.039 3.616 1.543 1.00 0.00 H new ATOM 0 HA ASP A 15 -16.274 6.255 2.089 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -16.725 4.538 3.798 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -15.348 3.600 3.254 1.00 0.00 H new ATOM 238 N GLY A 16 -14.039 4.341 0.734 1.00 0.00 N ATOM 239 CA GLY A 16 -12.756 4.284 0.153 1.00 0.00 C ATOM 240 C GLY A 16 -11.966 3.268 0.874 1.00 0.00 C ATOM 241 O GLY A 16 -12.503 2.223 1.240 1.00 0.00 O ATOM 0 H GLY A 16 -14.611 3.510 0.581 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -12.829 4.029 -0.904 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -12.268 5.257 0.213 1.00 0.00 H new ATOM 245 N LEU A 17 -10.733 3.546 1.142 1.00 0.00 N ATOM 246 CA LEU A 17 -9.917 2.581 1.834 1.00 0.00 C ATOM 247 C LEU A 17 -10.033 2.785 3.297 1.00 0.00 C ATOM 248 O LEU A 17 -10.190 1.829 4.052 1.00 0.00 O ATOM 249 CB LEU A 17 -8.457 2.706 1.462 1.00 0.00 C ATOM 250 CG LEU A 17 -8.151 2.845 0.002 1.00 0.00 C ATOM 251 CD1 LEU A 17 -6.667 2.809 -0.225 1.00 0.00 C ATOM 252 CD2 LEU A 17 -8.872 1.816 -0.842 1.00 0.00 C ATOM 0 H LEU A 17 -10.265 4.419 0.900 1.00 0.00 H new ATOM 0 HA LEU A 17 -10.274 1.593 1.544 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -8.045 3.571 1.981 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -7.932 1.828 1.839 1.00 0.00 H new ATOM 0 HG LEU A 17 -8.526 3.816 -0.322 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -6.459 2.911 -1.290 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -6.196 3.629 0.317 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -6.267 1.861 0.133 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -8.615 1.962 -1.891 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -8.572 0.815 -0.530 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -9.948 1.929 -0.713 1.00 0.00 H new ATOM 264 N GLY A 18 -9.978 4.041 3.685 1.00 0.00 N ATOM 265 CA GLY A 18 -9.953 4.395 5.071 1.00 0.00 C ATOM 266 C GLY A 18 -8.671 3.934 5.725 1.00 0.00 C ATOM 267 O GLY A 18 -8.646 3.632 6.915 1.00 0.00 O ATOM 0 H GLY A 18 -9.950 4.835 3.045 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -10.051 5.476 5.176 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -10.806 3.947 5.580 1.00 0.00 H new ATOM 271 N ILE A 19 -7.600 3.837 4.940 1.00 0.00 N ATOM 272 CA ILE A 19 -6.337 3.378 5.489 1.00 0.00 C ATOM 273 C ILE A 19 -5.342 4.529 5.570 1.00 0.00 C ATOM 274 O ILE A 19 -5.642 5.647 5.139 1.00 0.00 O ATOM 275 CB ILE A 19 -5.714 2.179 4.705 1.00 0.00 C ATOM 276 CG1 ILE A 19 -5.168 2.616 3.347 1.00 0.00 C ATOM 277 CG2 ILE A 19 -6.756 1.078 4.518 1.00 0.00 C ATOM 278 CD1 ILE A 19 -4.434 1.513 2.605 1.00 0.00 C ATOM 0 H ILE A 19 -7.584 4.065 3.946 1.00 0.00 H new ATOM 0 HA ILE A 19 -6.557 3.010 6.491 1.00 0.00 H new ATOM 0 HB ILE A 19 -4.880 1.795 5.292 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -5.993 2.971 2.730 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -4.492 3.459 3.490 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -6.312 0.246 3.970 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -7.097 0.730 5.493 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -7.604 1.471 3.957 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -4.074 1.894 1.650 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -3.588 1.173 3.202 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -5.113 0.678 2.430 1.00 0.00 H new ATOM 290 N SER A 20 -4.180 4.254 6.106 1.00 0.00 N ATOM 291 CA SER A 20 -3.154 5.250 6.302 1.00 0.00 C ATOM 292 C SER A 20 -1.800 4.653 5.940 1.00 0.00 C ATOM 293 O SER A 20 -1.609 3.431 6.029 1.00 0.00 O ATOM 294 CB SER A 20 -3.176 5.679 7.770 1.00 0.00 C ATOM 295 OG SER A 20 -4.481 6.102 8.145 1.00 0.00 O ATOM 0 H SER A 20 -3.915 3.321 6.423 1.00 0.00 H new ATOM 0 HA SER A 20 -3.331 6.118 5.667 1.00 0.00 H new ATOM 0 HB2 SER A 20 -2.860 4.849 8.402 1.00 0.00 H new ATOM 0 HB3 SER A 20 -2.465 6.489 7.929 1.00 0.00 H new ATOM 0 HG SER A 20 -4.479 6.372 9.087 1.00 0.00 H new ATOM 301 N ILE A 21 -0.878 5.492 5.552 1.00 0.00 N ATOM 302 CA ILE A 21 0.450 5.070 5.138 1.00 0.00 C ATOM 303 C ILE A 21 1.486 5.746 5.993 1.00 0.00 C ATOM 304 O ILE A 21 1.166 6.688 6.720 1.00 0.00 O ATOM 305 CB ILE A 21 0.700 5.399 3.638 1.00 0.00 C ATOM 306 CG1 ILE A 21 0.495 6.901 3.329 1.00 0.00 C ATOM 307 CG2 ILE A 21 -0.167 4.535 2.741 1.00 0.00 C ATOM 308 CD1 ILE A 21 1.722 7.786 3.542 1.00 0.00 C ATOM 0 H ILE A 21 -1.021 6.501 5.511 1.00 0.00 H new ATOM 0 HA ILE A 21 0.523 3.990 5.264 1.00 0.00 H new ATOM 0 HB ILE A 21 1.745 5.169 3.429 1.00 0.00 H new ATOM 0 HG12 ILE A 21 0.171 7.001 2.293 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -0.316 7.276 3.954 1.00 0.00 H new ATOM 0 HG21 ILE A 21 0.027 4.785 1.698 1.00 0.00 H new ATOM 0 HG22 ILE A 21 0.066 3.484 2.912 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -1.218 4.715 2.968 1.00 0.00 H new ATOM 0 HD11 ILE A 21 1.473 8.819 3.298 1.00 0.00 H new ATOM 0 HD12 ILE A 21 2.038 7.726 4.583 1.00 0.00 H new ATOM 0 HD13 ILE A 21 2.532 7.446 2.897 1.00 0.00 H new ATOM 320 N ILE A 22 2.698 5.284 5.934 1.00 0.00 N ATOM 321 CA ILE A 22 3.740 5.923 6.663 1.00 0.00 C ATOM 322 C ILE A 22 4.984 6.090 5.818 1.00 0.00 C ATOM 323 O ILE A 22 5.401 5.162 5.104 1.00 0.00 O ATOM 324 CB ILE A 22 4.056 5.230 8.016 1.00 0.00 C ATOM 325 CG1 ILE A 22 5.124 6.016 8.809 1.00 0.00 C ATOM 326 CG2 ILE A 22 4.456 3.776 7.817 1.00 0.00 C ATOM 327 CD1 ILE A 22 5.458 5.446 10.173 1.00 0.00 C ATOM 0 H ILE A 22 2.985 4.470 5.390 1.00 0.00 H new ATOM 0 HA ILE A 22 3.369 6.916 6.915 1.00 0.00 H new ATOM 0 HB ILE A 22 3.143 5.231 8.611 1.00 0.00 H new ATOM 0 HG12 ILE A 22 6.038 6.058 8.216 1.00 0.00 H new ATOM 0 HG13 ILE A 22 4.779 7.042 8.935 1.00 0.00 H new ATOM 0 HG21 ILE A 22 4.670 3.322 8.784 1.00 0.00 H new ATOM 0 HG22 ILE A 22 3.640 3.237 7.336 1.00 0.00 H new ATOM 0 HG23 ILE A 22 5.345 3.726 7.188 1.00 0.00 H new ATOM 0 HD11 ILE A 22 6.216 6.066 10.651 1.00 0.00 H new ATOM 0 HD12 ILE A 22 4.560 5.430 10.791 1.00 0.00 H new ATOM 0 HD13 ILE A 22 5.838 4.431 10.060 1.00 0.00 H new ATOM 339 N GLY A 23 5.535 7.270 5.869 1.00 0.00 N ATOM 340 CA GLY A 23 6.726 7.563 5.168 1.00 0.00 C ATOM 341 C GLY A 23 7.916 7.343 6.033 1.00 0.00 C ATOM 342 O GLY A 23 8.206 8.144 6.932 1.00 0.00 O ATOM 0 H GLY A 23 5.158 8.052 6.405 1.00 0.00 H new ATOM 0 HA2 GLY A 23 6.795 6.934 4.280 1.00 0.00 H new ATOM 0 HA3 GLY A 23 6.706 8.597 4.825 1.00 0.00 H new ATOM 346 N MET A 24 8.576 6.262 5.798 1.00 0.00 N ATOM 347 CA MET A 24 9.760 5.900 6.529 1.00 0.00 C ATOM 348 C MET A 24 10.770 5.290 5.593 1.00 0.00 C ATOM 349 O MET A 24 10.784 4.081 5.358 1.00 0.00 O ATOM 350 CB MET A 24 9.443 5.016 7.757 1.00 0.00 C ATOM 351 CG MET A 24 8.534 3.841 7.473 1.00 0.00 C ATOM 352 SD MET A 24 8.191 2.815 8.924 1.00 0.00 S ATOM 353 CE MET A 24 9.830 2.172 9.276 1.00 0.00 C ATOM 0 H MET A 24 8.310 5.587 5.081 1.00 0.00 H new ATOM 0 HA MET A 24 10.206 6.803 6.947 1.00 0.00 H new ATOM 0 HB2 MET A 24 10.380 4.642 8.169 1.00 0.00 H new ATOM 0 HB3 MET A 24 8.982 5.637 8.525 1.00 0.00 H new ATOM 0 HG2 MET A 24 7.591 4.212 7.071 1.00 0.00 H new ATOM 0 HG3 MET A 24 8.988 3.221 6.700 1.00 0.00 H new ATOM 0 HE1 MET A 24 9.749 1.317 9.948 1.00 0.00 H new ATOM 0 HE2 MET A 24 10.306 1.859 8.346 1.00 0.00 H new ATOM 0 HE3 MET A 24 10.432 2.949 9.748 1.00 0.00 H new ATOM 363 N GLY A 25 11.556 6.173 4.997 1.00 0.00 N ATOM 364 CA GLY A 25 12.532 5.807 4.004 1.00 0.00 C ATOM 365 C GLY A 25 13.535 4.809 4.508 1.00 0.00 C ATOM 366 O GLY A 25 14.367 5.126 5.369 1.00 0.00 O ATOM 0 H GLY A 25 11.527 7.173 5.197 1.00 0.00 H new ATOM 0 HA2 GLY A 25 12.021 5.393 3.135 1.00 0.00 H new ATOM 0 HA3 GLY A 25 13.055 6.703 3.669 1.00 0.00 H new ATOM 370 N VAL A 26 13.439 3.618 4.000 1.00 0.00 N ATOM 371 CA VAL A 26 14.331 2.559 4.356 1.00 0.00 C ATOM 372 C VAL A 26 15.425 2.478 3.291 1.00 0.00 C ATOM 373 O VAL A 26 15.182 2.798 2.112 1.00 0.00 O ATOM 374 CB VAL A 26 13.558 1.206 4.498 1.00 0.00 C ATOM 375 CG1 VAL A 26 12.895 0.787 3.192 1.00 0.00 C ATOM 376 CG2 VAL A 26 14.449 0.098 5.041 1.00 0.00 C ATOM 0 H VAL A 26 12.729 3.352 3.318 1.00 0.00 H new ATOM 0 HA VAL A 26 14.787 2.760 5.325 1.00 0.00 H new ATOM 0 HB VAL A 26 12.765 1.376 5.226 1.00 0.00 H new ATOM 0 HG11 VAL A 26 12.370 -0.157 3.337 1.00 0.00 H new ATOM 0 HG12 VAL A 26 12.184 1.553 2.882 1.00 0.00 H new ATOM 0 HG13 VAL A 26 13.656 0.665 2.421 1.00 0.00 H new ATOM 0 HG21 VAL A 26 13.873 -0.824 5.124 1.00 0.00 H new ATOM 0 HG22 VAL A 26 15.289 -0.058 4.364 1.00 0.00 H new ATOM 0 HG23 VAL A 26 14.824 0.382 6.024 1.00 0.00 H new ATOM 386 N GLY A 27 16.609 2.120 3.688 1.00 0.00 N ATOM 387 CA GLY A 27 17.689 2.068 2.765 1.00 0.00 C ATOM 388 C GLY A 27 18.007 0.671 2.283 1.00 0.00 C ATOM 389 O GLY A 27 17.139 -0.235 2.242 1.00 0.00 O ATOM 0 H GLY A 27 16.846 1.861 4.646 1.00 0.00 H new ATOM 0 HA2 GLY A 27 17.452 2.695 1.905 1.00 0.00 H new ATOM 0 HA3 GLY A 27 18.577 2.493 3.233 1.00 0.00 H new ATOM 393 N ALA A 28 19.247 0.490 1.940 1.00 0.00 N ATOM 394 CA ALA A 28 19.745 -0.752 1.415 1.00 0.00 C ATOM 395 C ALA A 28 20.252 -1.658 2.523 1.00 0.00 C ATOM 396 O ALA A 28 20.363 -2.862 2.341 1.00 0.00 O ATOM 397 CB ALA A 28 20.862 -0.459 0.438 1.00 0.00 C ATOM 0 H ALA A 28 19.959 1.216 2.018 1.00 0.00 H new ATOM 0 HA ALA A 28 18.929 -1.270 0.910 1.00 0.00 H new ATOM 0 HB1 ALA A 28 21.247 -1.395 0.034 1.00 0.00 H new ATOM 0 HB2 ALA A 28 20.481 0.158 -0.376 1.00 0.00 H new ATOM 0 HB3 ALA A 28 21.664 0.072 0.951 1.00 0.00 H new ATOM 403 N ASP A 29 20.495 -1.075 3.686 1.00 0.00 N ATOM 404 CA ASP A 29 21.110 -1.794 4.825 1.00 0.00 C ATOM 405 C ASP A 29 20.176 -2.860 5.331 1.00 0.00 C ATOM 406 O ASP A 29 20.593 -3.919 5.786 1.00 0.00 O ATOM 407 CB ASP A 29 21.419 -0.839 5.986 1.00 0.00 C ATOM 408 CG ASP A 29 21.961 0.479 5.531 1.00 0.00 C ATOM 409 OD1 ASP A 29 23.160 0.582 5.216 1.00 0.00 O ATOM 410 OD2 ASP A 29 21.175 1.456 5.461 1.00 0.00 O ATOM 0 H ASP A 29 20.279 -0.098 3.881 1.00 0.00 H new ATOM 0 HA ASP A 29 22.038 -2.238 4.465 1.00 0.00 H new ATOM 0 HB2 ASP A 29 20.510 -0.672 6.563 1.00 0.00 H new ATOM 0 HB3 ASP A 29 22.139 -1.310 6.655 1.00 0.00 H new ATOM 415 N ALA A 30 18.904 -2.576 5.237 1.00 0.00 N ATOM 416 CA ALA A 30 17.887 -3.488 5.689 1.00 0.00 C ATOM 417 C ALA A 30 17.553 -4.528 4.617 1.00 0.00 C ATOM 418 O ALA A 30 16.771 -5.442 4.857 1.00 0.00 O ATOM 419 CB ALA A 30 16.654 -2.709 6.085 1.00 0.00 C ATOM 0 H ALA A 30 18.544 -1.706 4.845 1.00 0.00 H new ATOM 0 HA ALA A 30 18.264 -4.030 6.556 1.00 0.00 H new ATOM 0 HB1 ALA A 30 15.882 -3.399 6.428 1.00 0.00 H new ATOM 0 HB2 ALA A 30 16.904 -2.016 6.888 1.00 0.00 H new ATOM 0 HB3 ALA A 30 16.285 -2.150 5.225 1.00 0.00 H new ATOM 425 N GLY A 31 18.144 -4.380 3.438 1.00 0.00 N ATOM 426 CA GLY A 31 17.892 -5.319 2.364 1.00 0.00 C ATOM 427 C GLY A 31 16.696 -4.947 1.520 1.00 0.00 C ATOM 428 O GLY A 31 16.220 -5.753 0.712 1.00 0.00 O ATOM 0 H GLY A 31 18.792 -3.627 3.207 1.00 0.00 H new ATOM 0 HA2 GLY A 31 18.774 -5.378 1.727 1.00 0.00 H new ATOM 0 HA3 GLY A 31 17.736 -6.312 2.786 1.00 0.00 H new ATOM 432 N LEU A 32 16.196 -3.749 1.708 1.00 0.00 N ATOM 433 CA LEU A 32 15.040 -3.302 0.962 1.00 0.00 C ATOM 434 C LEU A 32 15.441 -2.648 -0.338 1.00 0.00 C ATOM 435 O LEU A 32 15.044 -3.106 -1.404 1.00 0.00 O ATOM 436 CB LEU A 32 14.123 -2.396 1.796 1.00 0.00 C ATOM 437 CG LEU A 32 13.214 -3.091 2.840 1.00 0.00 C ATOM 438 CD1 LEU A 32 12.312 -4.110 2.186 1.00 0.00 C ATOM 439 CD2 LEU A 32 14.002 -3.733 3.967 1.00 0.00 C ATOM 0 H LEU A 32 16.569 -3.067 2.368 1.00 0.00 H new ATOM 0 HA LEU A 32 14.458 -4.191 0.716 1.00 0.00 H new ATOM 0 HB2 LEU A 32 14.747 -1.671 2.318 1.00 0.00 H new ATOM 0 HB3 LEU A 32 13.487 -1.835 1.112 1.00 0.00 H new ATOM 0 HG LEU A 32 12.599 -2.306 3.281 1.00 0.00 H new ATOM 0 HD11 LEU A 32 11.686 -4.581 2.944 1.00 0.00 H new ATOM 0 HD12 LEU A 32 11.679 -3.616 1.449 1.00 0.00 H new ATOM 0 HD13 LEU A 32 12.919 -4.870 1.693 1.00 0.00 H new ATOM 0 HD21 LEU A 32 13.314 -4.205 4.669 1.00 0.00 H new ATOM 0 HD22 LEU A 32 14.676 -4.486 3.557 1.00 0.00 H new ATOM 0 HD23 LEU A 32 14.583 -2.970 4.485 1.00 0.00 H new ATOM 451 N GLU A 33 16.238 -1.575 -0.246 1.00 0.00 N ATOM 452 CA GLU A 33 16.773 -0.857 -1.426 1.00 0.00 C ATOM 453 C GLU A 33 15.655 -0.256 -2.275 1.00 0.00 C ATOM 454 O GLU A 33 15.794 -0.101 -3.497 1.00 0.00 O ATOM 455 CB GLU A 33 17.639 -1.789 -2.285 1.00 0.00 C ATOM 456 CG GLU A 33 18.794 -2.429 -1.552 1.00 0.00 C ATOM 457 CD GLU A 33 19.651 -3.280 -2.440 1.00 0.00 C ATOM 458 OE1 GLU A 33 19.344 -4.465 -2.633 1.00 0.00 O ATOM 459 OE2 GLU A 33 20.689 -2.783 -2.944 1.00 0.00 O ATOM 0 H GLU A 33 16.534 -1.175 0.645 1.00 0.00 H new ATOM 0 HA GLU A 33 17.392 -0.041 -1.053 1.00 0.00 H new ATOM 0 HB2 GLU A 33 17.006 -2.576 -2.695 1.00 0.00 H new ATOM 0 HB3 GLU A 33 18.031 -1.223 -3.130 1.00 0.00 H new ATOM 0 HG2 GLU A 33 19.408 -1.649 -1.102 1.00 0.00 H new ATOM 0 HG3 GLU A 33 18.406 -3.040 -0.737 1.00 0.00 H new ATOM 466 N LYS A 34 14.601 0.152 -1.622 1.00 0.00 N ATOM 467 CA LYS A 34 13.431 0.655 -2.306 1.00 0.00 C ATOM 468 C LYS A 34 12.646 1.590 -1.412 1.00 0.00 C ATOM 469 O LYS A 34 13.171 2.070 -0.406 1.00 0.00 O ATOM 470 CB LYS A 34 12.560 -0.523 -2.774 1.00 0.00 C ATOM 471 CG LYS A 34 11.924 -1.361 -1.654 1.00 0.00 C ATOM 472 CD LYS A 34 11.313 -2.653 -2.196 1.00 0.00 C ATOM 473 CE LYS A 34 12.358 -3.454 -2.957 1.00 0.00 C ATOM 474 NZ LYS A 34 11.893 -4.767 -3.379 1.00 0.00 N ATOM 0 H LYS A 34 14.524 0.147 -0.605 1.00 0.00 H new ATOM 0 HA LYS A 34 13.748 1.225 -3.179 1.00 0.00 H new ATOM 0 HB2 LYS A 34 11.764 -0.134 -3.409 1.00 0.00 H new ATOM 0 HB3 LYS A 34 13.170 -1.180 -3.394 1.00 0.00 H new ATOM 0 HG2 LYS A 34 12.679 -1.601 -0.905 1.00 0.00 H new ATOM 0 HG3 LYS A 34 11.153 -0.775 -1.153 1.00 0.00 H new ATOM 0 HD2 LYS A 34 10.917 -3.249 -1.374 1.00 0.00 H new ATOM 0 HD3 LYS A 34 10.475 -2.419 -2.853 1.00 0.00 H new ATOM 0 HE2 LYS A 34 12.668 -2.888 -3.835 1.00 0.00 H new ATOM 0 HE3 LYS A 34 13.240 -3.575 -2.328 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 12.495 -5.501 -2.955 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 10.910 -4.903 -3.069 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 11.942 -4.836 -4.416 1.00 0.00 H new ATOM 488 N LEU A 35 11.406 1.849 -1.813 1.00 0.00 N ATOM 489 CA LEU A 35 10.466 2.706 -1.112 1.00 0.00 C ATOM 490 C LEU A 35 10.371 2.379 0.375 1.00 0.00 C ATOM 491 O LEU A 35 10.528 1.224 0.799 1.00 0.00 O ATOM 492 CB LEU A 35 9.060 2.532 -1.692 1.00 0.00 C ATOM 493 CG LEU A 35 8.436 1.137 -1.497 1.00 0.00 C ATOM 494 CD1 LEU A 35 6.966 1.259 -1.263 1.00 0.00 C ATOM 495 CD2 LEU A 35 8.674 0.239 -2.701 1.00 0.00 C ATOM 0 H LEU A 35 11.017 1.451 -2.668 1.00 0.00 H new ATOM 0 HA LEU A 35 10.836 3.724 -1.238 1.00 0.00 H new ATOM 0 HB2 LEU A 35 8.403 3.273 -1.237 1.00 0.00 H new ATOM 0 HB3 LEU A 35 9.095 2.750 -2.759 1.00 0.00 H new ATOM 0 HG LEU A 35 8.917 0.685 -0.630 1.00 0.00 H new ATOM 0 HD11 LEU A 35 6.536 0.267 -1.127 1.00 0.00 H new ATOM 0 HD12 LEU A 35 6.788 1.858 -0.370 1.00 0.00 H new ATOM 0 HD13 LEU A 35 6.500 1.742 -2.122 1.00 0.00 H new ATOM 0 HD21 LEU A 35 8.219 -0.735 -2.524 1.00 0.00 H new ATOM 0 HD22 LEU A 35 8.229 0.692 -3.587 1.00 0.00 H new ATOM 0 HD23 LEU A 35 9.746 0.116 -2.857 1.00 0.00 H new ATOM 507 N GLY A 36 10.082 3.382 1.140 1.00 0.00 N ATOM 508 CA GLY A 36 9.867 3.212 2.526 1.00 0.00 C ATOM 509 C GLY A 36 8.484 3.657 2.887 1.00 0.00 C ATOM 510 O GLY A 36 8.288 4.438 3.803 1.00 0.00 O ATOM 0 H GLY A 36 9.990 4.343 0.812 1.00 0.00 H new ATOM 0 HA2 GLY A 36 10.004 2.165 2.798 1.00 0.00 H new ATOM 0 HA3 GLY A 36 10.602 3.787 3.090 1.00 0.00 H new ATOM 514 N ILE A 37 7.524 3.219 2.128 1.00 0.00 N ATOM 515 CA ILE A 37 6.157 3.547 2.419 1.00 0.00 C ATOM 516 C ILE A 37 5.469 2.320 2.904 1.00 0.00 C ATOM 517 O ILE A 37 5.280 1.358 2.168 1.00 0.00 O ATOM 518 CB ILE A 37 5.387 4.138 1.220 1.00 0.00 C ATOM 519 CG1 ILE A 37 6.069 5.427 0.722 1.00 0.00 C ATOM 520 CG2 ILE A 37 3.928 4.417 1.631 1.00 0.00 C ATOM 521 CD1 ILE A 37 5.971 6.599 1.666 1.00 0.00 C ATOM 0 H ILE A 37 7.660 2.634 1.303 1.00 0.00 H new ATOM 0 HA ILE A 37 6.168 4.327 3.180 1.00 0.00 H new ATOM 0 HB ILE A 37 5.393 3.418 0.402 1.00 0.00 H new ATOM 0 HG12 ILE A 37 7.122 5.216 0.536 1.00 0.00 H new ATOM 0 HG13 ILE A 37 5.627 5.710 -0.233 1.00 0.00 H new ATOM 0 HG21 ILE A 37 3.385 4.835 0.783 1.00 0.00 H new ATOM 0 HG22 ILE A 37 3.454 3.487 1.943 1.00 0.00 H new ATOM 0 HG23 ILE A 37 3.912 5.127 2.458 1.00 0.00 H new ATOM 0 HD11 ILE A 37 6.479 7.460 1.231 1.00 0.00 H new ATOM 0 HD12 ILE A 37 4.922 6.844 1.835 1.00 0.00 H new ATOM 0 HD13 ILE A 37 6.441 6.342 2.615 1.00 0.00 H new ATOM 533 N PHE A 38 5.134 2.333 4.128 1.00 0.00 N ATOM 534 CA PHE A 38 4.501 1.215 4.729 1.00 0.00 C ATOM 535 C PHE A 38 3.087 1.556 5.039 1.00 0.00 C ATOM 536 O PHE A 38 2.680 2.717 4.914 1.00 0.00 O ATOM 537 CB PHE A 38 5.239 0.806 5.993 1.00 0.00 C ATOM 538 CG PHE A 38 6.641 0.314 5.748 1.00 0.00 C ATOM 539 CD1 PHE A 38 7.690 1.201 5.688 1.00 0.00 C ATOM 540 CD2 PHE A 38 6.900 -1.036 5.590 1.00 0.00 C ATOM 541 CE1 PHE A 38 8.981 0.776 5.470 1.00 0.00 C ATOM 542 CE2 PHE A 38 8.185 -1.485 5.369 1.00 0.00 C ATOM 543 CZ PHE A 38 9.236 -0.577 5.311 1.00 0.00 C ATOM 0 H PHE A 38 5.288 3.122 4.756 1.00 0.00 H new ATOM 0 HA PHE A 38 4.522 0.374 4.036 1.00 0.00 H new ATOM 0 HB2 PHE A 38 5.277 1.658 6.672 1.00 0.00 H new ATOM 0 HB3 PHE A 38 4.672 0.023 6.496 1.00 0.00 H new ATOM 0 HD1 PHE A 38 7.496 2.256 5.815 1.00 0.00 H new ATOM 0 HD2 PHE A 38 6.087 -1.745 5.640 1.00 0.00 H new ATOM 0 HE1 PHE A 38 9.789 1.491 5.423 1.00 0.00 H new ATOM 0 HE2 PHE A 38 8.375 -2.541 5.241 1.00 0.00 H new ATOM 0 HZ PHE A 38 10.245 -0.924 5.143 1.00 0.00 H new ATOM 553 N VAL A 39 2.336 0.578 5.412 1.00 0.00 N ATOM 554 CA VAL A 39 0.983 0.794 5.801 1.00 0.00 C ATOM 555 C VAL A 39 1.003 1.220 7.265 1.00 0.00 C ATOM 556 O VAL A 39 1.657 0.581 8.091 1.00 0.00 O ATOM 557 CB VAL A 39 0.140 -0.491 5.605 1.00 0.00 C ATOM 558 CG1 VAL A 39 -1.330 -0.229 5.896 1.00 0.00 C ATOM 559 CG2 VAL A 39 0.320 -1.030 4.187 1.00 0.00 C ATOM 0 H VAL A 39 2.641 -0.394 5.456 1.00 0.00 H new ATOM 0 HA VAL A 39 0.522 1.566 5.185 1.00 0.00 H new ATOM 0 HB VAL A 39 0.492 -1.242 6.312 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -1.899 -1.147 5.751 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -1.442 0.108 6.926 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -1.703 0.540 5.220 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -0.278 -1.933 4.062 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -0.005 -0.278 3.468 1.00 0.00 H new ATOM 0 HG23 VAL A 39 1.371 -1.264 4.017 1.00 0.00 H new ATOM 569 N LYS A 40 0.359 2.313 7.570 1.00 0.00 N ATOM 570 CA LYS A 40 0.369 2.844 8.918 1.00 0.00 C ATOM 571 C LYS A 40 -0.816 2.327 9.688 1.00 0.00 C ATOM 572 O LYS A 40 -0.682 1.864 10.816 1.00 0.00 O ATOM 573 CB LYS A 40 0.373 4.387 8.899 1.00 0.00 C ATOM 574 CG LYS A 40 0.310 5.134 10.264 1.00 0.00 C ATOM 575 CD LYS A 40 1.576 5.025 11.154 1.00 0.00 C ATOM 576 CE LYS A 40 1.778 3.640 11.752 1.00 0.00 C ATOM 577 NZ LYS A 40 2.857 3.600 12.760 1.00 0.00 N ATOM 0 H LYS A 40 -0.184 2.861 6.903 1.00 0.00 H new ATOM 0 HA LYS A 40 1.280 2.510 9.414 1.00 0.00 H new ATOM 0 HB2 LYS A 40 1.275 4.712 8.381 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -0.475 4.716 8.299 1.00 0.00 H new ATOM 0 HG2 LYS A 40 0.115 6.189 10.070 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -0.541 4.751 10.827 1.00 0.00 H new ATOM 0 HD2 LYS A 40 2.452 5.287 10.561 1.00 0.00 H new ATOM 0 HD3 LYS A 40 1.507 5.754 11.961 1.00 0.00 H new ATOM 0 HE2 LYS A 40 0.847 3.309 12.211 1.00 0.00 H new ATOM 0 HE3 LYS A 40 2.008 2.935 10.953 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 2.949 2.633 13.132 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 3.754 3.888 12.320 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 2.629 4.250 13.539 1.00 0.00 H new ATOM 591 N THR A 41 -1.962 2.393 9.078 1.00 0.00 N ATOM 592 CA THR A 41 -3.172 1.959 9.700 1.00 0.00 C ATOM 593 C THR A 41 -4.080 1.482 8.593 1.00 0.00 C ATOM 594 O THR A 41 -3.855 1.808 7.421 1.00 0.00 O ATOM 595 CB THR A 41 -3.878 3.128 10.404 1.00 0.00 C ATOM 596 OG1 THR A 41 -2.909 4.004 11.020 1.00 0.00 O ATOM 597 CG2 THR A 41 -4.822 2.634 11.491 1.00 0.00 C ATOM 0 H THR A 41 -2.082 2.751 8.131 1.00 0.00 H new ATOM 0 HA THR A 41 -2.951 1.185 10.435 1.00 0.00 H new ATOM 0 HB THR A 41 -4.447 3.662 9.643 1.00 0.00 H new ATOM 0 HG1 THR A 41 -3.373 4.745 11.463 1.00 0.00 H new ATOM 0 HG21 THR A 41 -5.305 3.487 11.969 1.00 0.00 H new ATOM 0 HG22 THR A 41 -5.581 1.989 11.048 1.00 0.00 H new ATOM 0 HG23 THR A 41 -4.258 2.073 12.236 1.00 0.00 H new ATOM 605 N VAL A 42 -5.079 0.753 8.943 1.00 0.00 N ATOM 606 CA VAL A 42 -6.040 0.256 8.030 1.00 0.00 C ATOM 607 C VAL A 42 -7.371 0.473 8.707 1.00 0.00 C ATOM 608 O VAL A 42 -7.413 0.473 9.942 1.00 0.00 O ATOM 609 CB VAL A 42 -5.853 -1.278 7.764 1.00 0.00 C ATOM 610 CG1 VAL A 42 -6.862 -1.767 6.763 1.00 0.00 C ATOM 611 CG2 VAL A 42 -4.453 -1.598 7.269 1.00 0.00 C ATOM 0 H VAL A 42 -5.254 0.477 9.909 1.00 0.00 H new ATOM 0 HA VAL A 42 -5.953 0.760 7.067 1.00 0.00 H new ATOM 0 HB VAL A 42 -6.005 -1.789 8.715 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -6.717 -2.834 6.591 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -7.868 -1.595 7.146 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -6.734 -1.228 5.824 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -4.364 -2.671 7.097 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -4.266 -1.064 6.337 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -3.723 -1.289 8.017 1.00 0.00 H new ATOM 621 N THR A 43 -8.425 0.716 7.946 1.00 0.00 N ATOM 622 CA THR A 43 -9.738 0.831 8.525 1.00 0.00 C ATOM 623 C THR A 43 -10.076 -0.477 9.243 1.00 0.00 C ATOM 624 O THR A 43 -9.734 -1.586 8.775 1.00 0.00 O ATOM 625 CB THR A 43 -10.826 1.138 7.468 1.00 0.00 C ATOM 626 OG1 THR A 43 -12.085 1.326 8.114 1.00 0.00 O ATOM 627 CG2 THR A 43 -10.947 -0.010 6.502 1.00 0.00 C ATOM 0 H THR A 43 -8.391 0.836 6.934 1.00 0.00 H new ATOM 0 HA THR A 43 -9.725 1.667 9.224 1.00 0.00 H new ATOM 0 HB THR A 43 -10.543 2.043 6.930 1.00 0.00 H new ATOM 0 HG1 THR A 43 -12.771 1.522 7.442 1.00 0.00 H new ATOM 0 HG21 THR A 43 -11.715 0.216 5.763 1.00 0.00 H new ATOM 0 HG22 THR A 43 -9.993 -0.164 5.998 1.00 0.00 H new ATOM 0 HG23 THR A 43 -11.221 -0.915 7.045 1.00 0.00 H new ATOM 635 N GLU A 44 -10.719 -0.351 10.339 1.00 0.00 N ATOM 636 CA GLU A 44 -11.034 -1.450 11.176 1.00 0.00 C ATOM 637 C GLU A 44 -12.287 -2.148 10.678 1.00 0.00 C ATOM 638 O GLU A 44 -12.436 -3.357 10.831 1.00 0.00 O ATOM 639 CB GLU A 44 -11.207 -0.928 12.587 1.00 0.00 C ATOM 640 CG GLU A 44 -12.360 0.012 12.727 1.00 0.00 C ATOM 641 CD GLU A 44 -12.324 0.827 13.976 1.00 0.00 C ATOM 642 OE1 GLU A 44 -12.414 0.263 15.075 1.00 0.00 O ATOM 643 OE2 GLU A 44 -12.246 2.072 13.870 1.00 0.00 O ATOM 0 H GLU A 44 -11.053 0.546 10.693 1.00 0.00 H new ATOM 0 HA GLU A 44 -10.232 -2.188 11.161 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -11.348 -1.770 13.265 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -10.293 -0.421 12.895 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -12.377 0.682 11.867 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -13.288 -0.560 12.704 1.00 0.00 H new ATOM 650 N GLY A 45 -13.131 -1.392 10.018 1.00 0.00 N ATOM 651 CA GLY A 45 -14.386 -1.902 9.572 1.00 0.00 C ATOM 652 C GLY A 45 -14.712 -1.471 8.204 1.00 0.00 C ATOM 653 O GLY A 45 -15.586 -0.647 7.973 1.00 0.00 O ATOM 0 H GLY A 45 -12.961 -0.415 9.781 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -14.368 -2.991 9.612 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -15.172 -1.571 10.251 1.00 0.00 H new ATOM 657 N GLY A 46 -13.992 -2.017 7.310 1.00 0.00 N ATOM 658 CA GLY A 46 -14.188 -1.843 5.963 1.00 0.00 C ATOM 659 C GLY A 46 -13.714 -3.091 5.344 1.00 0.00 C ATOM 660 O GLY A 46 -13.044 -3.896 6.028 1.00 0.00 O ATOM 0 H GLY A 46 -13.208 -2.631 7.530 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -15.239 -1.665 5.737 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -13.632 -0.982 5.591 1.00 0.00 H new ATOM 664 N ALA A 47 -13.970 -3.251 4.103 1.00 0.00 N ATOM 665 CA ALA A 47 -13.621 -4.472 3.359 1.00 0.00 C ATOM 666 C ALA A 47 -12.099 -4.813 3.337 1.00 0.00 C ATOM 667 O ALA A 47 -11.723 -5.852 2.860 1.00 0.00 O ATOM 668 CB ALA A 47 -14.169 -4.415 1.944 1.00 0.00 C ATOM 0 H ALA A 47 -14.436 -2.544 3.534 1.00 0.00 H new ATOM 0 HA ALA A 47 -14.094 -5.284 3.911 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -13.899 -5.327 1.412 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -15.255 -4.322 1.978 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -13.747 -3.554 1.425 1.00 0.00 H new ATOM 674 N ALA A 48 -11.252 -3.957 3.911 1.00 0.00 N ATOM 675 CA ALA A 48 -9.805 -4.155 3.876 1.00 0.00 C ATOM 676 C ALA A 48 -9.403 -5.208 4.883 1.00 0.00 C ATOM 677 O ALA A 48 -8.846 -6.232 4.527 1.00 0.00 O ATOM 678 CB ALA A 48 -9.074 -2.850 4.134 1.00 0.00 C ATOM 0 H ALA A 48 -11.547 -3.116 4.408 1.00 0.00 H new ATOM 0 HA ALA A 48 -9.524 -4.500 2.881 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -7.998 -3.023 4.103 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -9.347 -2.123 3.369 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -9.351 -2.466 5.116 1.00 0.00 H new ATOM 684 N GLN A 49 -9.705 -4.970 6.150 1.00 0.00 N ATOM 685 CA GLN A 49 -9.436 -5.973 7.149 1.00 0.00 C ATOM 686 C GLN A 49 -10.433 -7.119 7.067 1.00 0.00 C ATOM 687 O GLN A 49 -10.217 -8.186 7.638 1.00 0.00 O ATOM 688 CB GLN A 49 -9.330 -5.381 8.541 1.00 0.00 C ATOM 689 CG GLN A 49 -8.105 -4.507 8.693 1.00 0.00 C ATOM 690 CD GLN A 49 -7.807 -4.159 10.120 1.00 0.00 C ATOM 691 OE1 GLN A 49 -7.079 -4.872 10.810 1.00 0.00 O ATOM 692 NE2 GLN A 49 -8.336 -3.072 10.562 1.00 0.00 N ATOM 0 H GLN A 49 -10.127 -4.109 6.498 1.00 0.00 H new ATOM 0 HA GLN A 49 -8.455 -6.396 6.932 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -10.223 -4.794 8.754 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -9.295 -6.186 9.275 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -7.244 -5.019 8.262 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -8.248 -3.589 8.123 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -8.934 -2.512 9.954 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -8.158 -2.771 11.520 1.00 0.00 H new ATOM 701 N ARG A 50 -11.532 -6.897 6.355 1.00 0.00 N ATOM 702 CA ARG A 50 -12.457 -7.972 6.078 1.00 0.00 C ATOM 703 C ARG A 50 -11.858 -8.901 5.049 1.00 0.00 C ATOM 704 O ARG A 50 -12.114 -10.103 5.075 1.00 0.00 O ATOM 705 CB ARG A 50 -13.806 -7.469 5.613 1.00 0.00 C ATOM 706 CG ARG A 50 -14.654 -6.858 6.708 1.00 0.00 C ATOM 707 CD ARG A 50 -15.013 -7.884 7.778 1.00 0.00 C ATOM 708 NE ARG A 50 -15.655 -9.078 7.216 1.00 0.00 N ATOM 709 CZ ARG A 50 -15.949 -10.191 7.900 1.00 0.00 C ATOM 710 NH1 ARG A 50 -15.773 -10.238 9.220 1.00 0.00 N ATOM 711 NH2 ARG A 50 -16.429 -11.248 7.260 1.00 0.00 N ATOM 0 H ARG A 50 -11.796 -5.992 5.966 1.00 0.00 H new ATOM 0 HA ARG A 50 -12.627 -8.511 7.010 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -13.654 -6.726 4.830 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -14.354 -8.297 5.164 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -14.116 -6.028 7.165 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -15.567 -6.447 6.276 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -14.110 -8.178 8.313 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -15.680 -7.425 8.508 1.00 0.00 H new ATOM 0 HE ARG A 50 -15.897 -9.059 6.225 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -15.412 -9.423 9.716 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -15.999 -11.089 9.735 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -16.573 -11.211 6.251 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -16.654 -12.098 7.777 1.00 0.00 H new ATOM 725 N ASP A 51 -11.085 -8.329 4.118 1.00 0.00 N ATOM 726 CA ASP A 51 -10.323 -9.131 3.146 1.00 0.00 C ATOM 727 C ASP A 51 -9.356 -10.054 3.882 1.00 0.00 C ATOM 728 O ASP A 51 -9.411 -11.272 3.737 1.00 0.00 O ATOM 729 CB ASP A 51 -9.563 -8.238 2.163 1.00 0.00 C ATOM 730 CG ASP A 51 -8.569 -9.003 1.315 1.00 0.00 C ATOM 731 OD1 ASP A 51 -8.963 -9.601 0.277 1.00 0.00 O ATOM 732 OD2 ASP A 51 -7.389 -9.024 1.676 1.00 0.00 O ATOM 0 H ASP A 51 -10.969 -7.321 4.015 1.00 0.00 H new ATOM 0 HA ASP A 51 -11.027 -9.732 2.571 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -10.277 -7.735 1.511 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -9.037 -7.462 2.718 1.00 0.00 H new ATOM 737 N GLY A 52 -8.478 -9.472 4.664 1.00 0.00 N ATOM 738 CA GLY A 52 -7.614 -10.266 5.510 1.00 0.00 C ATOM 739 C GLY A 52 -6.287 -10.657 4.881 1.00 0.00 C ATOM 740 O GLY A 52 -5.386 -11.133 5.587 1.00 0.00 O ATOM 0 H GLY A 52 -8.342 -8.463 4.734 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -7.415 -9.710 6.426 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -8.145 -11.174 5.797 1.00 0.00 H new ATOM 744 N ARG A 53 -6.141 -10.481 3.584 1.00 0.00 N ATOM 745 CA ARG A 53 -4.887 -10.794 2.925 1.00 0.00 C ATOM 746 C ARG A 53 -3.948 -9.654 3.156 1.00 0.00 C ATOM 747 O ARG A 53 -2.750 -9.834 3.413 1.00 0.00 O ATOM 748 CB ARG A 53 -5.084 -10.951 1.444 1.00 0.00 C ATOM 749 CG ARG A 53 -3.864 -11.454 0.724 1.00 0.00 C ATOM 750 CD ARG A 53 -4.059 -11.287 -0.735 1.00 0.00 C ATOM 751 NE ARG A 53 -2.985 -11.894 -1.528 1.00 0.00 N ATOM 752 CZ ARG A 53 -2.837 -11.744 -2.849 1.00 0.00 C ATOM 753 NH1 ARG A 53 -3.734 -11.061 -3.544 1.00 0.00 N ATOM 754 NH2 ARG A 53 -1.822 -12.320 -3.473 1.00 0.00 N ATOM 0 H ARG A 53 -6.870 -10.125 2.966 1.00 0.00 H new ATOM 0 HA ARG A 53 -4.494 -11.728 3.328 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -5.910 -11.640 1.267 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -5.375 -9.990 1.021 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -2.981 -10.904 1.051 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -3.692 -12.504 0.963 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -5.012 -11.732 -1.022 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -4.120 -10.224 -0.969 1.00 0.00 H new ATOM 0 HE ARG A 53 -2.302 -12.472 -1.037 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -4.539 -10.649 -3.072 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -3.620 -10.947 -4.551 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -1.151 -12.879 -2.947 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -1.711 -12.205 -4.480 1.00 0.00 H new ATOM 768 N ILE A 54 -4.498 -8.481 3.066 1.00 0.00 N ATOM 769 CA ILE A 54 -3.754 -7.291 3.277 1.00 0.00 C ATOM 770 C ILE A 54 -3.758 -6.994 4.784 1.00 0.00 C ATOM 771 O ILE A 54 -4.753 -7.291 5.486 1.00 0.00 O ATOM 772 CB ILE A 54 -4.371 -6.103 2.471 1.00 0.00 C ATOM 773 CG1 ILE A 54 -3.353 -4.973 2.346 1.00 0.00 C ATOM 774 CG2 ILE A 54 -5.673 -5.603 3.115 1.00 0.00 C ATOM 775 CD1 ILE A 54 -3.860 -3.745 1.609 1.00 0.00 C ATOM 0 H ILE A 54 -5.482 -8.329 2.843 1.00 0.00 H new ATOM 0 HA ILE A 54 -2.730 -7.419 2.925 1.00 0.00 H new ATOM 0 HB ILE A 54 -4.622 -6.461 1.472 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -3.035 -4.676 3.345 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -2.471 -5.352 1.830 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -6.075 -4.777 2.529 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -6.400 -6.415 3.144 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -5.469 -5.262 4.130 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -3.071 -2.994 1.568 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -4.150 -4.023 0.596 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -4.723 -3.336 2.134 1.00 0.00 H new ATOM 787 N GLN A 55 -2.667 -6.482 5.297 1.00 0.00 N ATOM 788 CA GLN A 55 -2.587 -6.148 6.695 1.00 0.00 C ATOM 789 C GLN A 55 -1.875 -4.821 6.889 1.00 0.00 C ATOM 790 O GLN A 55 -1.373 -4.219 5.937 1.00 0.00 O ATOM 791 CB GLN A 55 -1.914 -7.256 7.541 1.00 0.00 C ATOM 792 CG GLN A 55 -2.674 -8.576 7.600 1.00 0.00 C ATOM 793 CD GLN A 55 -1.998 -9.608 8.474 1.00 0.00 C ATOM 794 OE1 GLN A 55 -1.175 -10.395 8.011 1.00 0.00 O ATOM 795 NE2 GLN A 55 -2.339 -9.630 9.735 1.00 0.00 N ATOM 0 H GLN A 55 -1.819 -6.287 4.764 1.00 0.00 H new ATOM 0 HA GLN A 55 -3.612 -6.059 7.054 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -0.919 -7.445 7.138 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -1.781 -6.885 8.557 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -3.681 -8.393 7.976 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -2.778 -8.974 6.591 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -3.025 -8.964 10.089 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -1.919 -10.314 10.365 1.00 0.00 H new ATOM 804 N VAL A 56 -1.823 -4.381 8.125 1.00 0.00 N ATOM 805 CA VAL A 56 -1.236 -3.100 8.489 1.00 0.00 C ATOM 806 C VAL A 56 0.305 -3.192 8.594 1.00 0.00 C ATOM 807 O VAL A 56 0.988 -2.197 8.807 1.00 0.00 O ATOM 808 CB VAL A 56 -1.833 -2.625 9.849 1.00 0.00 C ATOM 809 CG1 VAL A 56 -1.331 -3.454 11.017 1.00 0.00 C ATOM 810 CG2 VAL A 56 -1.644 -1.141 10.087 1.00 0.00 C ATOM 0 H VAL A 56 -2.190 -4.904 8.920 1.00 0.00 H new ATOM 0 HA VAL A 56 -1.474 -2.380 7.706 1.00 0.00 H new ATOM 0 HB VAL A 56 -2.908 -2.790 9.779 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -1.774 -3.085 11.942 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -1.612 -4.497 10.870 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -0.246 -3.376 11.079 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -2.079 -0.868 11.048 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -0.580 -0.906 10.091 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -2.137 -0.580 9.293 1.00 0.00 H new ATOM 820 N ASN A 57 0.846 -4.370 8.417 1.00 0.00 N ATOM 821 CA ASN A 57 2.283 -4.559 8.608 1.00 0.00 C ATOM 822 C ASN A 57 2.986 -4.696 7.267 1.00 0.00 C ATOM 823 O ASN A 57 4.192 -4.943 7.191 1.00 0.00 O ATOM 824 CB ASN A 57 2.562 -5.782 9.501 1.00 0.00 C ATOM 825 CG ASN A 57 2.271 -7.125 8.834 1.00 0.00 C ATOM 826 OD1 ASN A 57 3.137 -7.717 8.186 1.00 0.00 O ATOM 827 ND2 ASN A 57 1.092 -7.642 9.032 1.00 0.00 N ATOM 0 H ASN A 57 0.333 -5.208 8.145 1.00 0.00 H new ATOM 0 HA ASN A 57 2.679 -3.678 9.113 1.00 0.00 H new ATOM 0 HB2 ASN A 57 3.607 -5.761 9.810 1.00 0.00 H new ATOM 0 HB3 ASN A 57 1.961 -5.701 10.407 1.00 0.00 H new ATOM 0 HD21 ASN A 57 0.866 -8.559 8.647 1.00 0.00 H new ATOM 0 HD22 ASN A 57 0.395 -7.130 9.572 1.00 0.00 H new ATOM 834 N ASP A 58 2.236 -4.484 6.224 1.00 0.00 N ATOM 835 CA ASP A 58 2.717 -4.638 4.864 1.00 0.00 C ATOM 836 C ASP A 58 3.237 -3.305 4.308 1.00 0.00 C ATOM 837 O ASP A 58 3.328 -2.291 5.045 1.00 0.00 O ATOM 838 CB ASP A 58 1.596 -5.212 3.971 1.00 0.00 C ATOM 839 CG ASP A 58 1.146 -6.615 4.381 1.00 0.00 C ATOM 840 OD1 ASP A 58 0.531 -6.774 5.463 1.00 0.00 O ATOM 841 OD2 ASP A 58 1.408 -7.580 3.640 1.00 0.00 O ATOM 0 H ASP A 58 1.260 -4.195 6.285 1.00 0.00 H new ATOM 0 HA ASP A 58 3.552 -5.338 4.868 1.00 0.00 H new ATOM 0 HB2 ASP A 58 0.738 -4.540 4.002 1.00 0.00 H new ATOM 0 HB3 ASP A 58 1.943 -5.238 2.938 1.00 0.00 H new ATOM 846 N GLN A 59 3.579 -3.303 3.031 1.00 0.00 N ATOM 847 CA GLN A 59 4.140 -2.145 2.352 1.00 0.00 C ATOM 848 C GLN A 59 3.425 -1.888 1.026 1.00 0.00 C ATOM 849 O GLN A 59 3.315 -2.782 0.205 1.00 0.00 O ATOM 850 CB GLN A 59 5.649 -2.363 2.123 1.00 0.00 C ATOM 851 CG GLN A 59 6.292 -1.359 1.179 1.00 0.00 C ATOM 852 CD GLN A 59 7.797 -1.445 1.125 1.00 0.00 C ATOM 853 OE1 GLN A 59 8.369 -2.194 0.337 1.00 0.00 O ATOM 854 NE2 GLN A 59 8.449 -0.646 1.928 1.00 0.00 N ATOM 0 H GLN A 59 3.474 -4.118 2.427 1.00 0.00 H new ATOM 0 HA GLN A 59 3.997 -1.266 2.980 1.00 0.00 H new ATOM 0 HB2 GLN A 59 6.160 -2.318 3.085 1.00 0.00 H new ATOM 0 HB3 GLN A 59 5.803 -3.367 1.726 1.00 0.00 H new ATOM 0 HG2 GLN A 59 5.893 -1.512 0.176 1.00 0.00 H new ATOM 0 HG3 GLN A 59 6.007 -0.353 1.486 1.00 0.00 H new ATOM 0 HE21 GLN A 59 7.938 -0.038 2.569 1.00 0.00 H new ATOM 0 HE22 GLN A 59 9.469 -0.630 1.914 1.00 0.00 H new ATOM 863 N ILE A 60 2.954 -0.665 0.823 1.00 0.00 N ATOM 864 CA ILE A 60 2.266 -0.310 -0.413 1.00 0.00 C ATOM 865 C ILE A 60 3.304 -0.111 -1.512 1.00 0.00 C ATOM 866 O ILE A 60 3.996 0.885 -1.517 1.00 0.00 O ATOM 867 CB ILE A 60 1.475 1.021 -0.293 1.00 0.00 C ATOM 868 CG1 ILE A 60 0.456 1.000 0.859 1.00 0.00 C ATOM 869 CG2 ILE A 60 0.764 1.297 -1.602 1.00 0.00 C ATOM 870 CD1 ILE A 60 -0.610 -0.075 0.751 1.00 0.00 C ATOM 0 H ILE A 60 3.035 0.097 1.496 1.00 0.00 H new ATOM 0 HA ILE A 60 1.568 -1.118 -0.634 1.00 0.00 H new ATOM 0 HB ILE A 60 2.191 1.813 -0.072 1.00 0.00 H new ATOM 0 HG12 ILE A 60 0.994 0.865 1.798 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -0.034 1.973 0.909 1.00 0.00 H new ATOM 0 HG21 ILE A 60 0.207 2.231 -1.524 1.00 0.00 H new ATOM 0 HG22 ILE A 60 1.497 1.378 -2.404 1.00 0.00 H new ATOM 0 HG23 ILE A 60 0.076 0.481 -1.821 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -1.281 -0.010 1.608 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -1.179 0.068 -0.167 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -0.136 -1.057 0.735 1.00 0.00 H new ATOM 882 N VAL A 61 3.399 -1.038 -2.426 1.00 0.00 N ATOM 883 CA VAL A 61 4.412 -0.961 -3.473 1.00 0.00 C ATOM 884 C VAL A 61 3.865 -0.184 -4.682 1.00 0.00 C ATOM 885 O VAL A 61 4.481 0.768 -5.192 1.00 0.00 O ATOM 886 CB VAL A 61 4.856 -2.397 -3.877 1.00 0.00 C ATOM 887 CG1 VAL A 61 5.835 -2.410 -5.029 1.00 0.00 C ATOM 888 CG2 VAL A 61 5.434 -3.128 -2.678 1.00 0.00 C ATOM 0 H VAL A 61 2.795 -1.858 -2.477 1.00 0.00 H new ATOM 0 HA VAL A 61 5.284 -0.425 -3.099 1.00 0.00 H new ATOM 0 HB VAL A 61 3.963 -2.917 -4.222 1.00 0.00 H new ATOM 0 HG11 VAL A 61 6.107 -3.439 -5.264 1.00 0.00 H new ATOM 0 HG12 VAL A 61 5.375 -1.948 -5.902 1.00 0.00 H new ATOM 0 HG13 VAL A 61 6.730 -1.853 -4.752 1.00 0.00 H new ATOM 0 HG21 VAL A 61 5.740 -4.131 -2.976 1.00 0.00 H new ATOM 0 HG22 VAL A 61 6.299 -2.582 -2.301 1.00 0.00 H new ATOM 0 HG23 VAL A 61 4.679 -3.197 -1.895 1.00 0.00 H new ATOM 898 N GLU A 62 2.703 -0.567 -5.104 1.00 0.00 N ATOM 899 CA GLU A 62 2.032 0.048 -6.204 1.00 0.00 C ATOM 900 C GLU A 62 0.542 -0.029 -5.991 1.00 0.00 C ATOM 901 O GLU A 62 0.015 -1.077 -5.713 1.00 0.00 O ATOM 902 CB GLU A 62 2.433 -0.619 -7.533 1.00 0.00 C ATOM 903 CG GLU A 62 1.535 -0.237 -8.689 1.00 0.00 C ATOM 904 CD GLU A 62 1.987 -0.773 -10.007 1.00 0.00 C ATOM 905 OE1 GLU A 62 2.861 -0.150 -10.632 1.00 0.00 O ATOM 906 OE2 GLU A 62 1.440 -1.777 -10.461 1.00 0.00 O ATOM 0 H GLU A 62 2.181 -1.335 -4.683 1.00 0.00 H new ATOM 0 HA GLU A 62 2.328 1.096 -6.260 1.00 0.00 H new ATOM 0 HB2 GLU A 62 3.460 -0.345 -7.774 1.00 0.00 H new ATOM 0 HB3 GLU A 62 2.413 -1.702 -7.409 1.00 0.00 H new ATOM 0 HG2 GLU A 62 0.526 -0.597 -8.488 1.00 0.00 H new ATOM 0 HG3 GLU A 62 1.479 0.850 -8.749 1.00 0.00 H new ATOM 913 N VAL A 63 -0.126 1.084 -6.067 1.00 0.00 N ATOM 914 CA VAL A 63 -1.548 1.089 -5.958 1.00 0.00 C ATOM 915 C VAL A 63 -2.158 1.613 -7.217 1.00 0.00 C ATOM 916 O VAL A 63 -1.701 2.627 -7.747 1.00 0.00 O ATOM 917 CB VAL A 63 -2.032 1.874 -4.712 1.00 0.00 C ATOM 918 CG1 VAL A 63 -3.436 2.410 -4.903 1.00 0.00 C ATOM 919 CG2 VAL A 63 -2.037 0.948 -3.538 1.00 0.00 C ATOM 0 H VAL A 63 0.297 2.002 -6.205 1.00 0.00 H new ATOM 0 HA VAL A 63 -1.881 0.061 -5.819 1.00 0.00 H new ATOM 0 HB VAL A 63 -1.358 2.716 -4.554 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -3.742 2.955 -4.010 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -3.456 3.081 -5.762 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -4.122 1.580 -5.075 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -2.375 1.485 -2.652 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -2.710 0.114 -3.736 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -1.029 0.569 -3.369 1.00 0.00 H new ATOM 929 N ASP A 64 -3.092 0.829 -7.756 1.00 0.00 N ATOM 930 CA ASP A 64 -3.923 1.203 -8.918 1.00 0.00 C ATOM 931 C ASP A 64 -3.058 1.396 -10.179 1.00 0.00 C ATOM 932 O ASP A 64 -3.495 1.918 -11.186 1.00 0.00 O ATOM 933 CB ASP A 64 -4.771 2.465 -8.567 1.00 0.00 C ATOM 934 CG ASP A 64 -5.858 2.813 -9.573 1.00 0.00 C ATOM 935 OD1 ASP A 64 -6.918 2.139 -9.585 1.00 0.00 O ATOM 936 OD2 ASP A 64 -5.711 3.800 -10.317 1.00 0.00 O ATOM 0 H ASP A 64 -3.302 -0.102 -7.396 1.00 0.00 H new ATOM 0 HA ASP A 64 -4.614 0.392 -9.149 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -5.235 2.312 -7.593 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -4.100 3.319 -8.470 1.00 0.00 H new ATOM 941 N GLY A 65 -1.829 0.906 -10.103 1.00 0.00 N ATOM 942 CA GLY A 65 -0.902 1.009 -11.202 1.00 0.00 C ATOM 943 C GLY A 65 -0.188 2.349 -11.248 1.00 0.00 C ATOM 944 O GLY A 65 0.397 2.709 -12.274 1.00 0.00 O ATOM 0 H GLY A 65 -1.456 0.431 -9.281 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -0.163 0.212 -11.124 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -1.438 0.856 -12.139 1.00 0.00 H new ATOM 948 N ILE A 66 -0.211 3.089 -10.140 1.00 0.00 N ATOM 949 CA ILE A 66 0.430 4.400 -10.092 1.00 0.00 C ATOM 950 C ILE A 66 1.973 4.269 -9.950 1.00 0.00 C ATOM 951 O ILE A 66 2.718 5.192 -10.271 1.00 0.00 O ATOM 952 CB ILE A 66 -0.140 5.268 -8.914 1.00 0.00 C ATOM 953 CG1 ILE A 66 -0.063 6.750 -9.285 1.00 0.00 C ATOM 954 CG2 ILE A 66 0.638 5.005 -7.618 1.00 0.00 C ATOM 955 CD1 ILE A 66 -0.682 7.673 -8.269 1.00 0.00 C ATOM 0 H ILE A 66 -0.663 2.805 -9.271 1.00 0.00 H new ATOM 0 HA ILE A 66 0.208 4.901 -11.035 1.00 0.00 H new ATOM 0 HB ILE A 66 -1.181 4.991 -8.747 1.00 0.00 H new ATOM 0 HG12 ILE A 66 0.983 7.025 -9.420 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -0.558 6.899 -10.244 1.00 0.00 H new ATOM 0 HG21 ILE A 66 0.226 5.617 -6.816 1.00 0.00 H new ATOM 0 HG22 ILE A 66 0.554 3.952 -7.351 1.00 0.00 H new ATOM 0 HG23 ILE A 66 1.688 5.259 -7.766 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -0.585 8.704 -8.608 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -1.737 7.428 -8.150 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -0.172 7.556 -7.313 1.00 0.00 H new ATOM 967 N SER A 67 2.415 3.087 -9.513 1.00 0.00 N ATOM 968 CA SER A 67 3.818 2.764 -9.194 1.00 0.00 C ATOM 969 C SER A 67 4.484 3.804 -8.272 1.00 0.00 C ATOM 970 O SER A 67 5.163 4.725 -8.721 1.00 0.00 O ATOM 971 CB SER A 67 4.649 2.452 -10.462 1.00 0.00 C ATOM 972 OG SER A 67 4.477 3.454 -11.466 1.00 0.00 O ATOM 0 H SER A 67 1.787 2.297 -9.365 1.00 0.00 H new ATOM 0 HA SER A 67 3.795 1.843 -8.612 1.00 0.00 H new ATOM 0 HB2 SER A 67 5.704 2.379 -10.197 1.00 0.00 H new ATOM 0 HB3 SER A 67 4.353 1.482 -10.861 1.00 0.00 H new ATOM 0 HG SER A 67 4.469 4.340 -11.046 1.00 0.00 H new ATOM 978 N LEU A 68 4.276 3.657 -6.984 1.00 0.00 N ATOM 979 CA LEU A 68 4.782 4.631 -6.024 1.00 0.00 C ATOM 980 C LEU A 68 6.088 4.158 -5.414 1.00 0.00 C ATOM 981 O LEU A 68 6.510 4.622 -4.358 1.00 0.00 O ATOM 982 CB LEU A 68 3.761 4.892 -4.937 1.00 0.00 C ATOM 983 CG LEU A 68 3.375 3.697 -4.104 1.00 0.00 C ATOM 984 CD1 LEU A 68 3.501 4.038 -2.639 1.00 0.00 C ATOM 985 CD2 LEU A 68 1.971 3.275 -4.443 1.00 0.00 C ATOM 0 H LEU A 68 3.763 2.878 -6.571 1.00 0.00 H new ATOM 0 HA LEU A 68 4.967 5.563 -6.557 1.00 0.00 H new ATOM 0 HB2 LEU A 68 4.152 5.663 -4.274 1.00 0.00 H new ATOM 0 HB3 LEU A 68 2.860 5.296 -5.399 1.00 0.00 H new ATOM 0 HG LEU A 68 4.044 2.864 -4.321 1.00 0.00 H new ATOM 0 HD11 LEU A 68 3.221 3.172 -2.039 1.00 0.00 H new ATOM 0 HD12 LEU A 68 4.531 4.316 -2.417 1.00 0.00 H new ATOM 0 HD13 LEU A 68 2.841 4.873 -2.402 1.00 0.00 H new ATOM 0 HD21 LEU A 68 1.695 2.411 -3.839 1.00 0.00 H new ATOM 0 HD22 LEU A 68 1.284 4.096 -4.237 1.00 0.00 H new ATOM 0 HD23 LEU A 68 1.915 3.012 -5.499 1.00 0.00 H new ATOM 997 N VAL A 69 6.690 3.208 -6.073 1.00 0.00 N ATOM 998 CA VAL A 69 8.008 2.700 -5.718 1.00 0.00 C ATOM 999 C VAL A 69 9.037 3.851 -5.711 1.00 0.00 C ATOM 1000 O VAL A 69 9.543 4.264 -6.763 1.00 0.00 O ATOM 1001 CB VAL A 69 8.474 1.584 -6.705 1.00 0.00 C ATOM 1002 CG1 VAL A 69 9.813 0.981 -6.285 1.00 0.00 C ATOM 1003 CG2 VAL A 69 7.419 0.497 -6.836 1.00 0.00 C ATOM 0 H VAL A 69 6.281 2.750 -6.887 1.00 0.00 H new ATOM 0 HA VAL A 69 7.939 2.266 -4.721 1.00 0.00 H new ATOM 0 HB VAL A 69 8.611 2.053 -7.680 1.00 0.00 H new ATOM 0 HG11 VAL A 69 10.103 0.208 -6.997 1.00 0.00 H new ATOM 0 HG12 VAL A 69 10.574 1.761 -6.266 1.00 0.00 H new ATOM 0 HG13 VAL A 69 9.719 0.542 -5.292 1.00 0.00 H new ATOM 0 HG21 VAL A 69 7.769 -0.268 -7.529 1.00 0.00 H new ATOM 0 HG22 VAL A 69 7.238 0.047 -5.860 1.00 0.00 H new ATOM 0 HG23 VAL A 69 6.493 0.932 -7.213 1.00 0.00 H new ATOM 1013 N GLY A 70 9.243 4.415 -4.545 1.00 0.00 N ATOM 1014 CA GLY A 70 10.197 5.474 -4.373 1.00 0.00 C ATOM 1015 C GLY A 70 9.525 6.828 -4.273 1.00 0.00 C ATOM 1016 O GLY A 70 9.853 7.748 -5.027 1.00 0.00 O ATOM 0 H GLY A 70 8.752 4.150 -3.691 1.00 0.00 H new ATOM 0 HA2 GLY A 70 10.783 5.292 -3.472 1.00 0.00 H new ATOM 0 HA3 GLY A 70 10.893 5.475 -5.212 1.00 0.00 H new ATOM 1020 N VAL A 71 8.558 6.951 -3.370 1.00 0.00 N ATOM 1021 CA VAL A 71 7.864 8.218 -3.165 1.00 0.00 C ATOM 1022 C VAL A 71 7.825 8.590 -1.686 1.00 0.00 C ATOM 1023 O VAL A 71 8.317 7.841 -0.825 1.00 0.00 O ATOM 1024 CB VAL A 71 6.408 8.227 -3.722 1.00 0.00 C ATOM 1025 CG1 VAL A 71 6.376 7.905 -5.210 1.00 0.00 C ATOM 1026 CG2 VAL A 71 5.499 7.295 -2.927 1.00 0.00 C ATOM 0 H VAL A 71 8.237 6.191 -2.770 1.00 0.00 H new ATOM 0 HA VAL A 71 8.440 8.954 -3.726 1.00 0.00 H new ATOM 0 HB VAL A 71 6.021 9.239 -3.601 1.00 0.00 H new ATOM 0 HG11 VAL A 71 5.345 7.920 -5.563 1.00 0.00 H new ATOM 0 HG12 VAL A 71 6.958 8.648 -5.756 1.00 0.00 H new ATOM 0 HG13 VAL A 71 6.802 6.916 -5.377 1.00 0.00 H new ATOM 0 HG21 VAL A 71 4.492 7.327 -3.343 1.00 0.00 H new ATOM 0 HG22 VAL A 71 5.883 6.277 -2.984 1.00 0.00 H new ATOM 0 HG23 VAL A 71 5.471 7.615 -1.885 1.00 0.00 H new ATOM 1036 N THR A 72 7.245 9.725 -1.406 1.00 0.00 N ATOM 1037 CA THR A 72 7.083 10.223 -0.070 1.00 0.00 C ATOM 1038 C THR A 72 5.699 9.919 0.440 1.00 0.00 C ATOM 1039 O THR A 72 4.831 9.432 -0.318 1.00 0.00 O ATOM 1040 CB THR A 72 7.302 11.732 -0.053 1.00 0.00 C ATOM 1041 OG1 THR A 72 6.572 12.312 -1.143 1.00 0.00 O ATOM 1042 CG2 THR A 72 8.773 12.067 -0.162 1.00 0.00 C ATOM 0 H THR A 72 6.862 10.344 -2.121 1.00 0.00 H new ATOM 0 HA THR A 72 7.816 9.736 0.573 1.00 0.00 H new ATOM 0 HB THR A 72 6.943 12.140 0.892 1.00 0.00 H new ATOM 0 HG1 THR A 72 6.937 13.199 -1.346 1.00 0.00 H new ATOM 0 HG21 THR A 72 8.902 13.149 -0.148 1.00 0.00 H new ATOM 0 HG22 THR A 72 9.310 11.627 0.678 1.00 0.00 H new ATOM 0 HG23 THR A 72 9.169 11.667 -1.095 1.00 0.00 H new ATOM 1050 N GLN A 73 5.462 10.230 1.701 1.00 0.00 N ATOM 1051 CA GLN A 73 4.178 9.951 2.291 1.00 0.00 C ATOM 1052 C GLN A 73 3.098 10.829 1.657 1.00 0.00 C ATOM 1053 O GLN A 73 1.968 10.434 1.577 1.00 0.00 O ATOM 1054 CB GLN A 73 4.175 10.062 3.853 1.00 0.00 C ATOM 1055 CG GLN A 73 3.674 11.385 4.439 1.00 0.00 C ATOM 1056 CD GLN A 73 4.574 12.547 4.151 1.00 0.00 C ATOM 1057 OE1 GLN A 73 5.840 12.313 4.128 1.00 0.00 O flip ATOM 1058 NE2 GLN A 73 4.119 13.663 3.990 1.00 0.00 N flip ATOM 0 H GLN A 73 6.137 10.671 2.326 1.00 0.00 H new ATOM 0 HA GLN A 73 3.950 8.907 2.075 1.00 0.00 H new ATOM 0 HB2 GLN A 73 3.559 9.256 4.252 1.00 0.00 H new ATOM 0 HB3 GLN A 73 5.191 9.893 4.210 1.00 0.00 H new ATOM 0 HG2 GLN A 73 2.682 11.597 4.040 1.00 0.00 H new ATOM 0 HG3 GLN A 73 3.567 11.277 5.518 1.00 0.00 H new ATOM 0 HE21 GLN A 73 3.110 13.811 4.015 1.00 0.00 H new ATOM 0 HE22 GLN A 73 4.746 14.451 3.830 1.00 0.00 H new ATOM 1067 N ASN A 74 3.481 12.002 1.160 1.00 0.00 N ATOM 1068 CA ASN A 74 2.507 12.908 0.548 1.00 0.00 C ATOM 1069 C ASN A 74 2.038 12.379 -0.790 1.00 0.00 C ATOM 1070 O ASN A 74 0.882 12.595 -1.174 1.00 0.00 O ATOM 1071 CB ASN A 74 3.004 14.368 0.425 1.00 0.00 C ATOM 1072 CG ASN A 74 4.217 14.543 -0.469 1.00 0.00 C ATOM 1073 OD1 ASN A 74 4.104 14.656 -1.692 1.00 0.00 O ATOM 1074 ND2 ASN A 74 5.367 14.642 0.125 1.00 0.00 N ATOM 0 H ASN A 74 4.441 12.346 1.167 1.00 0.00 H new ATOM 0 HA ASN A 74 1.659 12.939 1.232 1.00 0.00 H new ATOM 0 HB2 ASN A 74 2.192 14.984 0.040 1.00 0.00 H new ATOM 0 HB3 ASN A 74 3.244 14.743 1.420 1.00 0.00 H new ATOM 0 HD21 ASN A 74 6.210 14.818 -0.422 1.00 0.00 H new ATOM 0 HD22 ASN A 74 5.428 14.544 1.138 1.00 0.00 H new ATOM 1081 N PHE A 75 2.905 11.659 -1.485 1.00 0.00 N ATOM 1082 CA PHE A 75 2.520 11.063 -2.738 1.00 0.00 C ATOM 1083 C PHE A 75 1.630 9.869 -2.441 1.00 0.00 C ATOM 1084 O PHE A 75 0.544 9.720 -3.014 1.00 0.00 O ATOM 1085 CB PHE A 75 3.744 10.605 -3.539 1.00 0.00 C ATOM 1086 CG PHE A 75 3.412 10.111 -4.938 1.00 0.00 C ATOM 1087 CD1 PHE A 75 2.910 8.829 -5.147 1.00 0.00 C ATOM 1088 CD2 PHE A 75 3.594 10.932 -6.038 1.00 0.00 C ATOM 1089 CE1 PHE A 75 2.602 8.383 -6.406 1.00 0.00 C ATOM 1090 CE2 PHE A 75 3.286 10.487 -7.311 1.00 0.00 C ATOM 1091 CZ PHE A 75 2.789 9.211 -7.493 1.00 0.00 C ATOM 0 H PHE A 75 3.868 11.479 -1.200 1.00 0.00 H new ATOM 0 HA PHE A 75 1.991 11.804 -3.337 1.00 0.00 H new ATOM 0 HB2 PHE A 75 4.448 11.434 -3.614 1.00 0.00 H new ATOM 0 HB3 PHE A 75 4.247 9.808 -2.992 1.00 0.00 H new ATOM 0 HD1 PHE A 75 2.761 8.174 -4.301 1.00 0.00 H new ATOM 0 HD2 PHE A 75 3.981 11.931 -5.901 1.00 0.00 H new ATOM 0 HE1 PHE A 75 2.214 7.385 -6.547 1.00 0.00 H new ATOM 0 HE2 PHE A 75 3.434 11.136 -8.161 1.00 0.00 H new ATOM 0 HZ PHE A 75 2.547 8.862 -8.486 1.00 0.00 H new ATOM 1101 N ALA A 76 2.090 9.033 -1.519 1.00 0.00 N ATOM 1102 CA ALA A 76 1.368 7.835 -1.135 1.00 0.00 C ATOM 1103 C ALA A 76 0.001 8.165 -0.540 1.00 0.00 C ATOM 1104 O ALA A 76 -0.987 7.530 -0.874 1.00 0.00 O ATOM 1105 CB ALA A 76 2.193 7.000 -0.188 1.00 0.00 C ATOM 0 H ALA A 76 2.970 9.168 -1.021 1.00 0.00 H new ATOM 0 HA ALA A 76 1.189 7.250 -2.037 1.00 0.00 H new ATOM 0 HB1 ALA A 76 1.635 6.106 0.089 1.00 0.00 H new ATOM 0 HB2 ALA A 76 3.124 6.710 -0.675 1.00 0.00 H new ATOM 0 HB3 ALA A 76 2.417 7.580 0.707 1.00 0.00 H new ATOM 1111 N ALA A 77 -0.061 9.184 0.303 1.00 0.00 N ATOM 1112 CA ALA A 77 -1.328 9.617 0.887 1.00 0.00 C ATOM 1113 C ALA A 77 -2.293 10.033 -0.207 1.00 0.00 C ATOM 1114 O ALA A 77 -3.473 9.820 -0.099 1.00 0.00 O ATOM 1115 CB ALA A 77 -1.122 10.761 1.871 1.00 0.00 C ATOM 0 H ALA A 77 0.749 9.728 0.600 1.00 0.00 H new ATOM 0 HA ALA A 77 -1.751 8.775 1.435 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -2.084 11.060 2.288 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -0.463 10.435 2.676 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -0.671 11.608 1.355 1.00 0.00 H new ATOM 1121 N THR A 78 -1.763 10.585 -1.273 1.00 0.00 N ATOM 1122 CA THR A 78 -2.559 10.998 -2.392 1.00 0.00 C ATOM 1123 C THR A 78 -3.090 9.780 -3.179 1.00 0.00 C ATOM 1124 O THR A 78 -4.292 9.709 -3.467 1.00 0.00 O ATOM 1125 CB THR A 78 -1.759 11.940 -3.300 1.00 0.00 C ATOM 1126 OG1 THR A 78 -1.403 13.124 -2.570 1.00 0.00 O ATOM 1127 CG2 THR A 78 -2.526 12.309 -4.561 1.00 0.00 C ATOM 0 H THR A 78 -0.764 10.758 -1.384 1.00 0.00 H new ATOM 0 HA THR A 78 -3.423 11.543 -2.013 1.00 0.00 H new ATOM 0 HB THR A 78 -0.857 11.415 -3.615 1.00 0.00 H new ATOM 0 HG1 THR A 78 -0.559 12.974 -2.096 1.00 0.00 H new ATOM 0 HG21 THR A 78 -1.920 12.977 -5.173 1.00 0.00 H new ATOM 0 HG22 THR A 78 -2.753 11.405 -5.126 1.00 0.00 H new ATOM 0 HG23 THR A 78 -3.455 12.809 -4.288 1.00 0.00 H new ATOM 1135 N VAL A 79 -2.217 8.819 -3.511 1.00 0.00 N ATOM 1136 CA VAL A 79 -2.663 7.638 -4.226 1.00 0.00 C ATOM 1137 C VAL A 79 -3.684 6.808 -3.432 1.00 0.00 C ATOM 1138 O VAL A 79 -4.737 6.466 -3.955 1.00 0.00 O ATOM 1139 CB VAL A 79 -1.522 6.782 -4.801 1.00 0.00 C ATOM 1140 CG1 VAL A 79 -0.553 6.473 -3.778 1.00 0.00 C ATOM 1141 CG2 VAL A 79 -2.058 5.533 -5.444 1.00 0.00 C ATOM 0 H VAL A 79 -1.220 8.843 -3.297 1.00 0.00 H new ATOM 0 HA VAL A 79 -3.191 8.026 -5.097 1.00 0.00 H new ATOM 0 HB VAL A 79 -1.018 7.359 -5.576 1.00 0.00 H new ATOM 0 HG11 VAL A 79 0.246 5.867 -4.205 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -0.134 7.398 -3.382 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -1.037 5.920 -2.973 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -1.231 4.945 -5.843 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -2.597 4.944 -4.702 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -2.735 5.803 -6.254 1.00 0.00 H new ATOM 1151 N LEU A 80 -3.414 6.577 -2.153 1.00 0.00 N ATOM 1152 CA LEU A 80 -4.336 5.825 -1.280 1.00 0.00 C ATOM 1153 C LEU A 80 -5.616 6.639 -0.967 1.00 0.00 C ATOM 1154 O LEU A 80 -6.556 6.133 -0.358 1.00 0.00 O ATOM 1155 CB LEU A 80 -3.650 5.373 0.043 1.00 0.00 C ATOM 1156 CG LEU A 80 -2.636 4.185 -0.009 1.00 0.00 C ATOM 1157 CD1 LEU A 80 -3.253 2.962 -0.631 1.00 0.00 C ATOM 1158 CD2 LEU A 80 -1.362 4.528 -0.733 1.00 0.00 C ATOM 0 H LEU A 80 -2.565 6.896 -1.687 1.00 0.00 H new ATOM 0 HA LEU A 80 -4.623 4.930 -1.833 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -3.128 6.236 0.457 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -4.436 5.107 0.749 1.00 0.00 H new ATOM 0 HG LEU A 80 -2.380 3.974 1.029 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -2.520 2.155 -0.651 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -4.118 2.652 -0.044 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -3.569 3.191 -1.649 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -0.700 3.662 -0.735 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -1.592 4.811 -1.760 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -0.870 5.360 -0.229 1.00 0.00 H new ATOM 1170 N ARG A 81 -5.630 7.898 -1.369 1.00 0.00 N ATOM 1171 CA ARG A 81 -6.793 8.766 -1.206 1.00 0.00 C ATOM 1172 C ARG A 81 -7.616 8.817 -2.493 1.00 0.00 C ATOM 1173 O ARG A 81 -8.817 8.989 -2.456 1.00 0.00 O ATOM 1174 CB ARG A 81 -6.339 10.183 -0.732 1.00 0.00 C ATOM 1175 CG ARG A 81 -7.397 11.289 -0.697 1.00 0.00 C ATOM 1176 CD ARG A 81 -7.497 12.035 -2.032 1.00 0.00 C ATOM 1177 NE ARG A 81 -8.582 13.032 -2.013 1.00 0.00 N ATOM 1178 CZ ARG A 81 -8.805 13.986 -2.939 1.00 0.00 C ATOM 1179 NH1 ARG A 81 -7.983 14.148 -3.969 1.00 0.00 N ATOM 1180 NH2 ARG A 81 -9.846 14.791 -2.808 1.00 0.00 N ATOM 0 H ARG A 81 -4.835 8.352 -1.819 1.00 0.00 H new ATOM 0 HA ARG A 81 -7.444 8.355 -0.435 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -5.922 10.085 0.270 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -5.530 10.512 -1.383 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -8.366 10.855 -0.452 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -7.155 11.997 0.096 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -6.550 12.530 -2.245 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -7.671 11.321 -2.837 1.00 0.00 H new ATOM 0 HE ARG A 81 -9.226 12.997 -1.223 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -7.166 13.545 -4.070 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -8.168 14.875 -4.660 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -10.473 14.688 -2.010 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -10.021 15.515 -3.504 1.00 0.00 H new ATOM 1194 N ASN A 82 -6.959 8.623 -3.617 1.00 0.00 N ATOM 1195 CA ASN A 82 -7.614 8.700 -4.940 1.00 0.00 C ATOM 1196 C ASN A 82 -8.271 7.403 -5.347 1.00 0.00 C ATOM 1197 O ASN A 82 -8.892 7.316 -6.401 1.00 0.00 O ATOM 1198 CB ASN A 82 -6.619 9.120 -6.019 1.00 0.00 C ATOM 1199 CG ASN A 82 -6.529 10.613 -6.157 1.00 0.00 C ATOM 1200 OD1 ASN A 82 -7.220 11.217 -6.979 1.00 0.00 O ATOM 1201 ND2 ASN A 82 -5.714 11.228 -5.352 1.00 0.00 N ATOM 0 H ASN A 82 -5.963 8.408 -3.658 1.00 0.00 H new ATOM 0 HA ASN A 82 -8.396 9.454 -4.844 1.00 0.00 H new ATOM 0 HB2 ASN A 82 -5.634 8.719 -5.779 1.00 0.00 H new ATOM 0 HB3 ASN A 82 -6.916 8.686 -6.974 1.00 0.00 H new ATOM 0 HD21 ASN A 82 -5.631 12.244 -5.388 1.00 0.00 H new ATOM 0 HD22 ASN A 82 -5.157 10.694 -4.684 1.00 0.00 H new ATOM 1208 N THR A 83 -8.134 6.413 -4.534 1.00 0.00 N ATOM 1209 CA THR A 83 -8.654 5.113 -4.812 1.00 0.00 C ATOM 1210 C THR A 83 -10.171 5.018 -4.594 1.00 0.00 C ATOM 1211 O THR A 83 -10.785 5.848 -3.894 1.00 0.00 O ATOM 1212 CB THR A 83 -7.936 4.114 -3.928 1.00 0.00 C ATOM 1213 OG1 THR A 83 -7.833 4.685 -2.620 1.00 0.00 O ATOM 1214 CG2 THR A 83 -6.547 3.826 -4.457 1.00 0.00 C ATOM 0 H THR A 83 -7.649 6.483 -3.640 1.00 0.00 H new ATOM 0 HA THR A 83 -8.482 4.896 -5.866 1.00 0.00 H new ATOM 0 HB THR A 83 -8.492 3.177 -3.908 1.00 0.00 H new ATOM 0 HG1 THR A 83 -8.730 4.867 -2.271 1.00 0.00 H new ATOM 0 HG21 THR A 83 -6.052 3.106 -3.805 1.00 0.00 H new ATOM 0 HG22 THR A 83 -6.619 3.415 -5.464 1.00 0.00 H new ATOM 0 HG23 THR A 83 -5.969 4.750 -4.483 1.00 0.00 H new ATOM 1222 N LYS A 84 -10.755 4.020 -5.207 1.00 0.00 N ATOM 1223 CA LYS A 84 -12.166 3.730 -5.095 1.00 0.00 C ATOM 1224 C LYS A 84 -12.330 2.357 -4.485 1.00 0.00 C ATOM 1225 O LYS A 84 -11.412 1.862 -3.844 1.00 0.00 O ATOM 1226 CB LYS A 84 -12.812 3.754 -6.483 1.00 0.00 C ATOM 1227 CG LYS A 84 -12.931 5.121 -7.108 1.00 0.00 C ATOM 1228 CD LYS A 84 -13.869 6.004 -6.310 1.00 0.00 C ATOM 1229 CE LYS A 84 -14.111 7.331 -7.019 1.00 0.00 C ATOM 1230 NZ LYS A 84 -14.681 7.141 -8.375 1.00 0.00 N ATOM 0 H LYS A 84 -10.253 3.370 -5.812 1.00 0.00 H new ATOM 0 HA LYS A 84 -12.649 4.479 -4.467 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -12.230 3.116 -7.149 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -13.808 3.316 -6.411 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -11.947 5.586 -7.163 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -13.297 5.027 -8.130 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -14.818 5.490 -6.161 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -13.447 6.188 -5.322 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -14.789 7.942 -6.423 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -13.171 7.878 -7.094 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -15.124 8.027 -8.693 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -13.923 6.876 -9.036 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -15.396 6.387 -8.348 1.00 0.00 H new ATOM 1244 N GLY A 85 -13.515 1.787 -4.636 1.00 0.00 N ATOM 1245 CA GLY A 85 -13.772 0.433 -4.212 1.00 0.00 C ATOM 1246 C GLY A 85 -12.778 -0.570 -4.774 1.00 0.00 C ATOM 1247 O GLY A 85 -12.045 -1.187 -4.024 1.00 0.00 O ATOM 0 H GLY A 85 -14.319 2.254 -5.055 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -13.746 0.389 -3.123 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -14.778 0.148 -4.519 1.00 0.00 H new ATOM 1251 N ASN A 86 -12.736 -0.720 -6.081 1.00 0.00 N ATOM 1252 CA ASN A 86 -11.816 -1.690 -6.692 1.00 0.00 C ATOM 1253 C ASN A 86 -10.419 -1.115 -6.746 1.00 0.00 C ATOM 1254 O ASN A 86 -10.177 -0.096 -7.420 1.00 0.00 O ATOM 1255 CB ASN A 86 -12.249 -2.133 -8.105 1.00 0.00 C ATOM 1256 CG ASN A 86 -13.510 -3.002 -8.173 1.00 0.00 C ATOM 1257 OD1 ASN A 86 -14.494 -2.735 -7.353 1.00 0.00 O flip ATOM 1258 ND2 ASN A 86 -13.601 -3.888 -9.018 1.00 0.00 N flip ATOM 0 H ASN A 86 -13.312 -0.199 -6.742 1.00 0.00 H new ATOM 0 HA ASN A 86 -11.837 -2.578 -6.060 1.00 0.00 H new ATOM 0 HB2 ASN A 86 -12.411 -1.242 -8.711 1.00 0.00 H new ATOM 0 HB3 ASN A 86 -11.426 -2.683 -8.561 1.00 0.00 H new ATOM 0 HD21 ASN A 86 -12.819 -4.076 -9.646 1.00 0.00 H new ATOM 0 HD22 ASN A 86 -14.458 -4.436 -9.093 1.00 0.00 H new ATOM 1265 N VAL A 87 -9.508 -1.728 -6.018 1.00 0.00 N ATOM 1266 CA VAL A 87 -8.142 -1.246 -5.945 1.00 0.00 C ATOM 1267 C VAL A 87 -7.180 -2.380 -6.152 1.00 0.00 C ATOM 1268 O VAL A 87 -7.363 -3.447 -5.599 1.00 0.00 O ATOM 1269 CB VAL A 87 -7.799 -0.692 -4.557 1.00 0.00 C ATOM 1270 CG1 VAL A 87 -6.567 0.188 -4.602 1.00 0.00 C ATOM 1271 CG2 VAL A 87 -8.959 -0.013 -3.901 1.00 0.00 C ATOM 0 H VAL A 87 -9.690 -2.566 -5.465 1.00 0.00 H new ATOM 0 HA VAL A 87 -8.060 -0.473 -6.709 1.00 0.00 H new ATOM 0 HB VAL A 87 -7.563 -1.549 -3.926 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -6.352 0.564 -3.602 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -5.718 -0.393 -4.962 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -6.744 1.027 -5.275 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -8.657 0.359 -2.922 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -9.290 0.821 -4.520 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -9.777 -0.724 -3.783 1.00 0.00 H new ATOM 1281 N ARG A 88 -6.175 -2.154 -6.926 1.00 0.00 N ATOM 1282 CA ARG A 88 -5.104 -3.089 -7.067 1.00 0.00 C ATOM 1283 C ARG A 88 -3.949 -2.667 -6.208 1.00 0.00 C ATOM 1284 O ARG A 88 -3.211 -1.730 -6.554 1.00 0.00 O ATOM 1285 CB ARG A 88 -4.670 -3.194 -8.507 1.00 0.00 C ATOM 1286 CG ARG A 88 -5.680 -3.881 -9.386 1.00 0.00 C ATOM 1287 CD ARG A 88 -5.299 -3.740 -10.829 1.00 0.00 C ATOM 1288 NE ARG A 88 -3.948 -4.261 -11.120 1.00 0.00 N ATOM 1289 CZ ARG A 88 -3.139 -3.789 -12.094 1.00 0.00 C ATOM 1290 NH1 ARG A 88 -3.556 -2.824 -12.907 1.00 0.00 N ATOM 1291 NH2 ARG A 88 -1.923 -4.290 -12.246 1.00 0.00 N ATOM 0 H ARG A 88 -6.069 -1.308 -7.486 1.00 0.00 H new ATOM 0 HA ARG A 88 -5.453 -4.070 -6.746 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -4.481 -2.193 -8.896 1.00 0.00 H new ATOM 0 HB3 ARG A 88 -3.727 -3.738 -8.556 1.00 0.00 H new ATOM 0 HG2 ARG A 88 -5.743 -4.937 -9.122 1.00 0.00 H new ATOM 0 HG3 ARG A 88 -6.668 -3.451 -9.220 1.00 0.00 H new ATOM 0 HD2 ARG A 88 -6.027 -4.268 -11.445 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -5.346 -2.688 -11.111 1.00 0.00 H new ATOM 0 HE ARG A 88 -3.602 -5.030 -10.546 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -4.492 -2.435 -12.798 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -2.940 -2.473 -13.640 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -1.596 -5.033 -11.628 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -1.313 -3.933 -12.981 1.00 0.00 H new ATOM 1305 N PHE A 89 -3.835 -3.286 -5.065 1.00 0.00 N ATOM 1306 CA PHE A 89 -2.725 -3.054 -4.190 1.00 0.00 C ATOM 1307 C PHE A 89 -1.662 -4.029 -4.548 1.00 0.00 C ATOM 1308 O PHE A 89 -1.766 -5.200 -4.234 1.00 0.00 O ATOM 1309 CB PHE A 89 -3.088 -3.269 -2.716 1.00 0.00 C ATOM 1310 CG PHE A 89 -4.138 -2.372 -2.177 1.00 0.00 C ATOM 1311 CD1 PHE A 89 -3.799 -1.160 -1.614 1.00 0.00 C ATOM 1312 CD2 PHE A 89 -5.460 -2.739 -2.225 1.00 0.00 C ATOM 1313 CE1 PHE A 89 -4.761 -0.323 -1.107 1.00 0.00 C ATOM 1314 CE2 PHE A 89 -6.429 -1.906 -1.719 1.00 0.00 C ATOM 1315 CZ PHE A 89 -6.077 -0.693 -1.161 1.00 0.00 C ATOM 0 H PHE A 89 -4.511 -3.966 -4.716 1.00 0.00 H new ATOM 0 HA PHE A 89 -2.405 -2.019 -4.308 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -3.416 -4.301 -2.588 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -2.186 -3.144 -2.116 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -2.761 -0.865 -1.571 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -5.740 -3.686 -2.662 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -4.481 0.623 -0.668 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -7.467 -2.201 -1.758 1.00 0.00 H new ATOM 0 HZ PHE A 89 -6.840 -0.037 -0.768 1.00 0.00 H new ATOM 1325 N VAL A 90 -0.680 -3.592 -5.232 1.00 0.00 N ATOM 1326 CA VAL A 90 0.388 -4.445 -5.579 1.00 0.00 C ATOM 1327 C VAL A 90 1.413 -4.252 -4.506 1.00 0.00 C ATOM 1328 O VAL A 90 2.190 -3.317 -4.525 1.00 0.00 O ATOM 1329 CB VAL A 90 0.971 -4.131 -6.973 1.00 0.00 C ATOM 1330 CG1 VAL A 90 2.073 -5.123 -7.341 1.00 0.00 C ATOM 1331 CG2 VAL A 90 -0.131 -4.134 -8.026 1.00 0.00 C ATOM 0 H VAL A 90 -0.591 -2.633 -5.569 1.00 0.00 H new ATOM 0 HA VAL A 90 0.051 -5.479 -5.645 1.00 0.00 H new ATOM 0 HB VAL A 90 1.413 -3.135 -6.940 1.00 0.00 H new ATOM 0 HG11 VAL A 90 2.467 -4.880 -8.328 1.00 0.00 H new ATOM 0 HG12 VAL A 90 2.875 -5.065 -6.605 1.00 0.00 H new ATOM 0 HG13 VAL A 90 1.664 -6.133 -7.353 1.00 0.00 H new ATOM 0 HG21 VAL A 90 0.298 -3.911 -9.003 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -0.605 -5.115 -8.054 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -0.876 -3.378 -7.776 1.00 0.00 H new ATOM 1341 N ILE A 91 1.245 -5.008 -3.497 1.00 0.00 N ATOM 1342 CA ILE A 91 2.058 -5.001 -2.346 1.00 0.00 C ATOM 1343 C ILE A 91 2.959 -6.183 -2.376 1.00 0.00 C ATOM 1344 O ILE A 91 2.665 -7.178 -2.998 1.00 0.00 O ATOM 1345 CB ILE A 91 1.125 -5.036 -1.116 1.00 0.00 C ATOM 1346 CG1 ILE A 91 0.415 -3.707 -1.011 1.00 0.00 C ATOM 1347 CG2 ILE A 91 1.808 -5.434 0.204 1.00 0.00 C ATOM 1348 CD1 ILE A 91 -0.624 -3.670 0.030 1.00 0.00 C ATOM 0 H ILE A 91 0.490 -5.692 -3.447 1.00 0.00 H new ATOM 0 HA ILE A 91 2.682 -4.108 -2.302 1.00 0.00 H new ATOM 0 HB ILE A 91 0.405 -5.838 -1.279 1.00 0.00 H new ATOM 0 HG12 ILE A 91 1.150 -2.928 -0.806 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -0.039 -3.471 -1.973 1.00 0.00 H new ATOM 0 HG21 ILE A 91 1.073 -5.430 1.009 1.00 0.00 H new ATOM 0 HG22 ILE A 91 2.235 -6.432 0.106 1.00 0.00 H new ATOM 0 HG23 ILE A 91 2.601 -4.722 0.433 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -1.089 -2.684 0.045 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -1.381 -4.425 -0.184 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -0.173 -3.873 1.001 1.00 0.00 H new ATOM 1360 N GLY A 92 4.048 -6.057 -1.753 1.00 0.00 N ATOM 1361 CA GLY A 92 4.932 -7.119 -1.669 1.00 0.00 C ATOM 1362 C GLY A 92 5.242 -7.356 -0.245 1.00 0.00 C ATOM 1363 O GLY A 92 5.129 -6.424 0.573 1.00 0.00 O ATOM 0 H GLY A 92 4.352 -5.204 -1.283 1.00 0.00 H new ATOM 0 HA2 GLY A 92 4.495 -8.012 -2.116 1.00 0.00 H new ATOM 0 HA3 GLY A 92 5.844 -6.898 -2.224 1.00 0.00 H new ATOM 1367 N ARG A 93 5.635 -8.543 0.086 1.00 0.00 N ATOM 1368 CA ARG A 93 5.887 -8.834 1.459 1.00 0.00 C ATOM 1369 C ARG A 93 7.104 -9.727 1.660 1.00 0.00 C ATOM 1370 O ARG A 93 7.311 -10.705 0.924 1.00 0.00 O ATOM 1371 CB ARG A 93 4.682 -9.485 2.078 1.00 0.00 C ATOM 1372 CG ARG A 93 4.773 -9.562 3.569 1.00 0.00 C ATOM 1373 CD ARG A 93 3.714 -10.446 4.100 1.00 0.00 C ATOM 1374 NE ARG A 93 3.790 -10.564 5.550 1.00 0.00 N ATOM 1375 CZ ARG A 93 4.586 -11.424 6.211 1.00 0.00 C ATOM 1376 NH1 ARG A 93 5.444 -12.220 5.543 1.00 0.00 N ATOM 1377 NH2 ARG A 93 4.529 -11.480 7.531 1.00 0.00 N ATOM 0 H ARG A 93 5.786 -9.315 -0.563 1.00 0.00 H new ATOM 0 HA ARG A 93 6.096 -7.883 1.948 1.00 0.00 H new ATOM 0 HB2 ARG A 93 3.789 -8.926 1.800 1.00 0.00 H new ATOM 0 HB3 ARG A 93 4.568 -10.490 1.672 1.00 0.00 H new ATOM 0 HG2 ARG A 93 5.753 -9.940 3.862 1.00 0.00 H new ATOM 0 HG3 ARG A 93 4.674 -8.565 3.999 1.00 0.00 H new ATOM 0 HD2 ARG A 93 2.737 -10.054 3.817 1.00 0.00 H new ATOM 0 HD3 ARG A 93 3.804 -11.434 3.649 1.00 0.00 H new ATOM 0 HE ARG A 93 3.195 -9.949 6.105 1.00 0.00 H new ATOM 0 HH11 ARG A 93 5.495 -12.174 4.525 1.00 0.00 H new ATOM 0 HH12 ARG A 93 6.043 -12.868 6.055 1.00 0.00 H new ATOM 0 HH21 ARG A 93 3.885 -10.874 8.040 1.00 0.00 H new ATOM 0 HH22 ARG A 93 5.129 -12.129 8.040 1.00 0.00 H new ATOM 1391 N GLU A 94 7.891 -9.383 2.650 1.00 0.00 N ATOM 1392 CA GLU A 94 9.022 -10.170 3.093 1.00 0.00 C ATOM 1393 C GLU A 94 8.873 -10.398 4.577 1.00 0.00 C ATOM 1394 O GLU A 94 8.370 -11.450 4.973 1.00 0.00 O ATOM 1395 CB GLU A 94 10.373 -9.486 2.833 1.00 0.00 C ATOM 1396 CG GLU A 94 10.744 -9.287 1.381 1.00 0.00 C ATOM 1397 CD GLU A 94 12.177 -8.834 1.236 1.00 0.00 C ATOM 1398 OE1 GLU A 94 13.078 -9.696 1.207 1.00 0.00 O ATOM 1399 OE2 GLU A 94 12.449 -7.624 1.188 1.00 0.00 O ATOM 0 H GLU A 94 7.761 -8.525 3.186 1.00 0.00 H new ATOM 0 HA GLU A 94 9.023 -11.102 2.528 1.00 0.00 H new ATOM 0 HB2 GLU A 94 10.365 -8.512 3.323 1.00 0.00 H new ATOM 0 HB3 GLU A 94 11.155 -10.077 3.310 1.00 0.00 H new ATOM 0 HG2 GLU A 94 10.599 -10.219 0.836 1.00 0.00 H new ATOM 0 HG3 GLU A 94 10.080 -8.548 0.932 1.00 0.00 H new TER 1406 GLU A 94