USER MOD reduce.3.24.130724 H: found=0, std=0, add=828, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 824 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 56 CYS SG : rot 120:sc= -1.11 USER MOD Set 1.2: A 80 SER OG : rot 85:sc= 1.25 USER MOD Set 2.1: A 45 ASN : amide:sc= -1.33! K(o=-2.3!,f=1.7) USER MOD Set 2.2: A 47 THR OG1 : rot -165:sc= 0.268 USER MOD Set 2.3: A 93 ASN : amide:sc= -1.24! K(o=-2.3!,f=1.7) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.0773) USER MOD Single : A 11 HIS : no HD1:sc= -0.886 K(o=-0.89,f=-2.2!) USER MOD Single : A 13 ASN : amide:sc= -6.21! C(o=-6.2!,f=-13!) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 THR OG1 : rot 180:sc=-0.00584 USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 28 HIS : no HE2:sc= -10.2! C(o=-10!,f=-12!) USER MOD Single : A 29 CYS SG : rot 38:sc= 0.197 USER MOD Single : A 30 TYR OH : rot 60:sc= -0.87 USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 ASN : amide:sc= -2.36 K(o=-2.4,f=-3.2) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 46 MET CE :methyl -139:sc= -2.41 (180deg=-6.44!) USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 60 SER OG : rot 26:sc= 0.348 USER MOD Single : A 62 LYS NZ :NH3+ -161:sc= -0.0178 (180deg=-0.208) USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 72 GLN : amide:sc= 0.413 X(o=0.41,f=-0.0058) USER MOD Single : A 75 GLN : amide:sc= -0.277 X(o=-0.28,f=-0.14) USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 79 SER OG : rot 15:sc= 0.778! USER MOD Single : A 85 ASN : amide:sc= -0.177 K(o=-0.18,f=-3.6!) USER MOD Single : A 95 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 97 SER OG : rot 112:sc= -0.896 USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 THR OG1 : rot 180:sc= 0 USER MOD Single : A 108 CYS SG : rot 20:sc=-0.000928 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 15.813 -8.642 12.504 1.00 0.00 N ATOM 2 CA GLY A 1 17.255 -8.522 12.615 1.00 0.00 C ATOM 3 C GLY A 1 17.674 -7.365 13.501 1.00 0.00 C ATOM 4 O GLY A 1 17.767 -6.226 13.044 1.00 0.00 O ATOM 0 H1 GLY A 1 15.578 -9.447 11.889 1.00 0.00 H new ATOM 0 H2 GLY A 1 15.404 -8.797 13.448 1.00 0.00 H new ATOM 0 H3 GLY A 1 15.422 -7.769 12.096 1.00 0.00 H new ATOM 0 HA2 GLY A 1 17.664 -9.449 13.016 1.00 0.00 H new ATOM 0 HA3 GLY A 1 17.683 -8.388 11.621 1.00 0.00 H new ATOM 8 N SER A 2 17.926 -7.658 14.773 1.00 0.00 N ATOM 9 CA SER A 2 18.332 -6.632 15.727 1.00 0.00 C ATOM 10 C SER A 2 19.203 -5.576 15.052 1.00 0.00 C ATOM 11 O SER A 2 18.870 -4.391 15.048 1.00 0.00 O ATOM 12 CB SER A 2 19.091 -7.264 16.895 1.00 0.00 C ATOM 13 OG SER A 2 18.983 -6.469 18.063 1.00 0.00 O ATOM 0 H SER A 2 17.856 -8.596 15.167 1.00 0.00 H new ATOM 0 HA SER A 2 17.432 -6.148 16.107 1.00 0.00 H new ATOM 0 HB2 SER A 2 18.697 -8.261 17.092 1.00 0.00 H new ATOM 0 HB3 SER A 2 20.141 -7.383 16.628 1.00 0.00 H new ATOM 0 HG SER A 2 19.475 -6.895 18.796 1.00 0.00 H new ATOM 19 N SER A 3 20.320 -6.016 14.482 1.00 0.00 N ATOM 20 CA SER A 3 21.242 -5.110 13.807 1.00 0.00 C ATOM 21 C SER A 3 20.708 -4.717 12.433 1.00 0.00 C ATOM 22 O SER A 3 19.739 -5.294 11.943 1.00 0.00 O ATOM 23 CB SER A 3 22.619 -5.761 13.665 1.00 0.00 C ATOM 24 OG SER A 3 22.522 -7.025 13.031 1.00 0.00 O ATOM 0 H SER A 3 20.609 -6.994 14.474 1.00 0.00 H new ATOM 0 HA SER A 3 21.336 -4.209 14.413 1.00 0.00 H new ATOM 0 HB2 SER A 3 23.275 -5.110 13.087 1.00 0.00 H new ATOM 0 HB3 SER A 3 23.073 -5.878 14.649 1.00 0.00 H new ATOM 0 HG SER A 3 23.415 -7.420 12.950 1.00 0.00 H new ATOM 30 N GLY A 4 21.350 -3.729 11.816 1.00 0.00 N ATOM 31 CA GLY A 4 20.927 -3.274 10.504 1.00 0.00 C ATOM 32 C GLY A 4 19.420 -3.156 10.390 1.00 0.00 C ATOM 33 O GLY A 4 18.762 -4.036 9.835 1.00 0.00 O ATOM 0 H GLY A 4 22.155 -3.236 12.201 1.00 0.00 H new ATOM 0 HA2 GLY A 4 21.381 -2.305 10.295 1.00 0.00 H new ATOM 0 HA3 GLY A 4 21.292 -3.968 9.747 1.00 0.00 H new ATOM 37 N SER A 5 18.871 -2.067 10.919 1.00 0.00 N ATOM 38 CA SER A 5 17.432 -1.840 10.879 1.00 0.00 C ATOM 39 C SER A 5 16.852 -2.265 9.533 1.00 0.00 C ATOM 40 O SER A 5 17.151 -1.668 8.499 1.00 0.00 O ATOM 41 CB SER A 5 17.120 -0.364 11.138 1.00 0.00 C ATOM 42 OG SER A 5 17.070 -0.090 12.527 1.00 0.00 O ATOM 0 H SER A 5 19.402 -1.328 11.380 1.00 0.00 H new ATOM 0 HA SER A 5 16.972 -2.444 11.661 1.00 0.00 H new ATOM 0 HB2 SER A 5 17.881 0.260 10.668 1.00 0.00 H new ATOM 0 HB3 SER A 5 16.166 -0.104 10.678 1.00 0.00 H new ATOM 0 HG SER A 5 16.871 0.859 12.666 1.00 0.00 H new ATOM 48 N SER A 6 16.020 -3.302 9.555 1.00 0.00 N ATOM 49 CA SER A 6 15.401 -3.811 8.337 1.00 0.00 C ATOM 50 C SER A 6 13.931 -3.410 8.267 1.00 0.00 C ATOM 51 O SER A 6 13.422 -2.715 9.146 1.00 0.00 O ATOM 52 CB SER A 6 15.529 -5.334 8.273 1.00 0.00 C ATOM 53 OG SER A 6 14.728 -5.956 9.263 1.00 0.00 O ATOM 0 H SER A 6 15.759 -3.806 10.403 1.00 0.00 H new ATOM 0 HA SER A 6 15.920 -3.374 7.484 1.00 0.00 H new ATOM 0 HB2 SER A 6 15.230 -5.686 7.286 1.00 0.00 H new ATOM 0 HB3 SER A 6 16.572 -5.620 8.412 1.00 0.00 H new ATOM 0 HG SER A 6 14.826 -6.929 9.200 1.00 0.00 H new ATOM 59 N GLY A 7 13.252 -3.853 7.213 1.00 0.00 N ATOM 60 CA GLY A 7 11.847 -3.531 7.046 1.00 0.00 C ATOM 61 C GLY A 7 10.949 -4.737 7.236 1.00 0.00 C ATOM 62 O GLY A 7 11.402 -5.825 7.591 1.00 0.00 O ATOM 0 H GLY A 7 13.650 -4.429 6.472 1.00 0.00 H new ATOM 0 HA2 GLY A 7 11.567 -2.757 7.761 1.00 0.00 H new ATOM 0 HA3 GLY A 7 11.688 -3.117 6.050 1.00 0.00 H new ATOM 66 N PRO A 8 9.642 -4.550 6.999 1.00 0.00 N ATOM 67 CA PRO A 8 8.651 -5.620 7.141 1.00 0.00 C ATOM 68 C PRO A 8 8.793 -6.689 6.064 1.00 0.00 C ATOM 69 O PRO A 8 9.427 -6.465 5.032 1.00 0.00 O ATOM 70 CB PRO A 8 7.314 -4.887 6.995 1.00 0.00 C ATOM 71 CG PRO A 8 7.633 -3.676 6.189 1.00 0.00 C ATOM 72 CD PRO A 8 9.032 -3.279 6.574 1.00 0.00 C ATOM 0 HA PRO A 8 8.760 -6.153 8.086 1.00 0.00 H new ATOM 0 HB2 PRO A 8 6.573 -5.511 6.496 1.00 0.00 H new ATOM 0 HB3 PRO A 8 6.901 -4.618 7.967 1.00 0.00 H new ATOM 0 HG2 PRO A 8 7.567 -3.889 5.122 1.00 0.00 H new ATOM 0 HG3 PRO A 8 6.928 -2.872 6.397 1.00 0.00 H new ATOM 0 HD2 PRO A 8 9.569 -2.836 5.735 1.00 0.00 H new ATOM 0 HD3 PRO A 8 9.034 -2.543 7.378 1.00 0.00 H new ATOM 80 N LYS A 9 8.199 -7.852 6.308 1.00 0.00 N ATOM 81 CA LYS A 9 8.258 -8.957 5.359 1.00 0.00 C ATOM 82 C LYS A 9 7.233 -8.771 4.244 1.00 0.00 C ATOM 83 O LYS A 9 7.477 -9.141 3.096 1.00 0.00 O ATOM 84 CB LYS A 9 8.013 -10.286 6.075 1.00 0.00 C ATOM 85 CG LYS A 9 9.169 -10.724 6.958 1.00 0.00 C ATOM 86 CD LYS A 9 9.164 -9.988 8.288 1.00 0.00 C ATOM 87 CE LYS A 9 10.033 -10.693 9.318 1.00 0.00 C ATOM 88 NZ LYS A 9 9.386 -11.930 9.835 1.00 0.00 N ATOM 0 H LYS A 9 7.670 -8.054 7.157 1.00 0.00 H new ATOM 0 HA LYS A 9 9.254 -8.969 4.916 1.00 0.00 H new ATOM 0 HB2 LYS A 9 7.114 -10.200 6.685 1.00 0.00 H new ATOM 0 HB3 LYS A 9 7.821 -11.060 5.331 1.00 0.00 H new ATOM 0 HG2 LYS A 9 9.107 -11.798 7.135 1.00 0.00 H new ATOM 0 HG3 LYS A 9 10.112 -10.540 6.443 1.00 0.00 H new ATOM 0 HD2 LYS A 9 9.524 -8.969 8.143 1.00 0.00 H new ATOM 0 HD3 LYS A 9 8.142 -9.915 8.661 1.00 0.00 H new ATOM 0 HE2 LYS A 9 10.994 -10.946 8.870 1.00 0.00 H new ATOM 0 HE3 LYS A 9 10.236 -10.015 10.147 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 9.914 -12.279 10.660 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 8.407 -11.719 10.115 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 9.384 -12.658 9.092 1.00 0.00 H new ATOM 102 N ILE A 10 6.086 -8.196 4.591 1.00 0.00 N ATOM 103 CA ILE A 10 5.026 -7.959 3.619 1.00 0.00 C ATOM 104 C ILE A 10 5.258 -6.657 2.859 1.00 0.00 C ATOM 105 O ILE A 10 5.839 -5.711 3.390 1.00 0.00 O ATOM 106 CB ILE A 10 3.644 -7.907 4.296 1.00 0.00 C ATOM 107 CG1 ILE A 10 3.752 -7.260 5.678 1.00 0.00 C ATOM 108 CG2 ILE A 10 3.053 -9.305 4.403 1.00 0.00 C ATOM 109 CD1 ILE A 10 4.058 -8.246 6.784 1.00 0.00 C ATOM 0 H ILE A 10 5.867 -7.886 5.538 1.00 0.00 H new ATOM 0 HA ILE A 10 5.047 -8.794 2.918 1.00 0.00 H new ATOM 0 HB ILE A 10 2.979 -7.299 3.683 1.00 0.00 H new ATOM 0 HG12 ILE A 10 4.532 -6.499 5.654 1.00 0.00 H new ATOM 0 HG13 ILE A 10 2.816 -6.750 5.906 1.00 0.00 H new ATOM 0 HG21 ILE A 10 2.076 -9.251 4.884 1.00 0.00 H new ATOM 0 HG22 ILE A 10 2.944 -9.731 3.406 1.00 0.00 H new ATOM 0 HG23 ILE A 10 3.715 -9.936 4.996 1.00 0.00 H new ATOM 0 HD11 ILE A 10 4.120 -7.718 7.735 1.00 0.00 H new ATOM 0 HD12 ILE A 10 3.266 -8.993 6.835 1.00 0.00 H new ATOM 0 HD13 ILE A 10 5.009 -8.739 6.580 1.00 0.00 H new ATOM 121 N HIS A 11 4.797 -6.616 1.613 1.00 0.00 N ATOM 122 CA HIS A 11 4.951 -5.429 0.780 1.00 0.00 C ATOM 123 C HIS A 11 3.794 -5.303 -0.207 1.00 0.00 C ATOM 124 O HIS A 11 3.335 -6.296 -0.771 1.00 0.00 O ATOM 125 CB HIS A 11 6.278 -5.480 0.023 1.00 0.00 C ATOM 126 CG HIS A 11 6.274 -6.438 -1.129 1.00 0.00 C ATOM 127 ND1 HIS A 11 5.937 -6.069 -2.414 1.00 0.00 N ATOM 128 CD2 HIS A 11 6.571 -7.758 -1.183 1.00 0.00 C ATOM 129 CE1 HIS A 11 6.025 -7.120 -3.209 1.00 0.00 C ATOM 130 NE2 HIS A 11 6.408 -8.158 -2.487 1.00 0.00 N ATOM 0 H HIS A 11 4.314 -7.391 1.158 1.00 0.00 H new ATOM 0 HA HIS A 11 4.946 -4.555 1.432 1.00 0.00 H new ATOM 0 HB2 HIS A 11 6.515 -4.482 -0.346 1.00 0.00 H new ATOM 0 HB3 HIS A 11 7.071 -5.761 0.716 1.00 0.00 H new ATOM 0 HD2 HIS A 11 6.879 -8.380 -0.355 1.00 0.00 H new ATOM 0 HE1 HIS A 11 5.819 -7.129 -4.269 1.00 0.00 H new ATOM 0 HE2 HIS A 11 6.558 -9.103 -2.840 1.00 0.00 H new ATOM 138 N PHE A 12 3.326 -4.076 -0.409 1.00 0.00 N ATOM 139 CA PHE A 12 2.221 -3.820 -1.326 1.00 0.00 C ATOM 140 C PHE A 12 2.692 -3.881 -2.776 1.00 0.00 C ATOM 141 O PHE A 12 3.818 -3.496 -3.090 1.00 0.00 O ATOM 142 CB PHE A 12 1.597 -2.454 -1.037 1.00 0.00 C ATOM 143 CG PHE A 12 0.607 -2.473 0.093 1.00 0.00 C ATOM 144 CD1 PHE A 12 -0.600 -3.140 -0.037 1.00 0.00 C ATOM 145 CD2 PHE A 12 0.885 -1.824 1.285 1.00 0.00 C ATOM 146 CE1 PHE A 12 -1.512 -3.160 1.001 1.00 0.00 C ATOM 147 CE2 PHE A 12 -0.023 -1.841 2.327 1.00 0.00 C ATOM 148 CZ PHE A 12 -1.224 -2.509 2.184 1.00 0.00 C ATOM 0 H PHE A 12 3.695 -3.243 0.050 1.00 0.00 H new ATOM 0 HA PHE A 12 1.469 -4.594 -1.174 1.00 0.00 H new ATOM 0 HB2 PHE A 12 2.390 -1.744 -0.803 1.00 0.00 H new ATOM 0 HB3 PHE A 12 1.101 -2.092 -1.938 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -0.831 -3.650 -0.960 1.00 0.00 H new ATOM 0 HD2 PHE A 12 1.822 -1.299 1.401 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -2.449 -3.684 0.887 1.00 0.00 H new ATOM 0 HE2 PHE A 12 0.206 -1.333 3.252 1.00 0.00 H new ATOM 0 HZ PHE A 12 -1.936 -2.522 2.996 1.00 0.00 H new ATOM 158 N ASN A 13 1.822 -4.368 -3.655 1.00 0.00 N ATOM 159 CA ASN A 13 2.149 -4.481 -5.071 1.00 0.00 C ATOM 160 C ASN A 13 2.749 -3.180 -5.597 1.00 0.00 C ATOM 161 O ASN A 13 3.489 -3.177 -6.580 1.00 0.00 O ATOM 162 CB ASN A 13 0.899 -4.841 -5.877 1.00 0.00 C ATOM 163 CG ASN A 13 -0.210 -3.821 -5.710 1.00 0.00 C ATOM 164 OD1 ASN A 13 -0.076 -2.859 -4.953 1.00 0.00 O ATOM 165 ND2 ASN A 13 -1.315 -4.027 -6.418 1.00 0.00 N ATOM 0 H ASN A 13 0.886 -4.690 -3.411 1.00 0.00 H new ATOM 0 HA ASN A 13 2.888 -5.274 -5.185 1.00 0.00 H new ATOM 0 HB2 ASN A 13 1.161 -4.920 -6.932 1.00 0.00 H new ATOM 0 HB3 ASN A 13 0.538 -5.821 -5.564 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -2.096 -3.374 -6.346 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -1.383 -4.838 -7.033 1.00 0.00 H new ATOM 172 N PHE A 14 2.424 -2.075 -4.933 1.00 0.00 N ATOM 173 CA PHE A 14 2.930 -0.767 -5.333 1.00 0.00 C ATOM 174 C PHE A 14 3.247 0.090 -4.111 1.00 0.00 C ATOM 175 O PHE A 14 2.866 -0.245 -2.990 1.00 0.00 O ATOM 176 CB PHE A 14 1.910 -0.051 -6.221 1.00 0.00 C ATOM 177 CG PHE A 14 0.487 -0.250 -5.780 1.00 0.00 C ATOM 178 CD1 PHE A 14 0.081 0.135 -4.513 1.00 0.00 C ATOM 179 CD2 PHE A 14 -0.443 -0.822 -6.634 1.00 0.00 C ATOM 180 CE1 PHE A 14 -1.227 -0.048 -4.105 1.00 0.00 C ATOM 181 CE2 PHE A 14 -1.752 -1.006 -6.231 1.00 0.00 C ATOM 182 CZ PHE A 14 -2.145 -0.618 -4.966 1.00 0.00 C ATOM 0 H PHE A 14 1.813 -2.059 -4.116 1.00 0.00 H new ATOM 0 HA PHE A 14 3.850 -0.918 -5.898 1.00 0.00 H new ATOM 0 HB2 PHE A 14 2.133 1.016 -6.230 1.00 0.00 H new ATOM 0 HB3 PHE A 14 2.018 -0.408 -7.245 1.00 0.00 H new ATOM 0 HD1 PHE A 14 0.794 0.583 -3.837 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -0.141 -1.127 -7.625 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -1.531 0.254 -3.114 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -2.467 -1.453 -6.906 1.00 0.00 H new ATOM 0 HZ PHE A 14 -3.168 -0.760 -4.650 1.00 0.00 H new ATOM 192 N GLU A 15 3.947 1.198 -4.337 1.00 0.00 N ATOM 193 CA GLU A 15 4.316 2.102 -3.255 1.00 0.00 C ATOM 194 C GLU A 15 3.194 3.096 -2.970 1.00 0.00 C ATOM 195 O GLU A 15 2.671 3.158 -1.856 1.00 0.00 O ATOM 196 CB GLU A 15 5.602 2.853 -3.604 1.00 0.00 C ATOM 197 CG GLU A 15 5.935 3.974 -2.634 1.00 0.00 C ATOM 198 CD GLU A 15 6.025 3.495 -1.198 1.00 0.00 C ATOM 199 OE1 GLU A 15 6.710 2.481 -0.952 1.00 0.00 O ATOM 200 OE2 GLU A 15 5.408 4.135 -0.320 1.00 0.00 O ATOM 0 H GLU A 15 4.269 1.490 -5.259 1.00 0.00 H new ATOM 0 HA GLU A 15 4.485 1.505 -2.359 1.00 0.00 H new ATOM 0 HB2 GLU A 15 6.431 2.146 -3.627 1.00 0.00 H new ATOM 0 HB3 GLU A 15 5.509 3.268 -4.608 1.00 0.00 H new ATOM 0 HG2 GLU A 15 6.883 4.429 -2.922 1.00 0.00 H new ATOM 0 HG3 GLU A 15 5.174 4.751 -2.707 1.00 0.00 H new ATOM 207 N LEU A 16 2.830 3.874 -3.983 1.00 0.00 N ATOM 208 CA LEU A 16 1.770 4.867 -3.843 1.00 0.00 C ATOM 209 C LEU A 16 0.601 4.550 -4.769 1.00 0.00 C ATOM 210 O LEU A 16 0.794 4.091 -5.896 1.00 0.00 O ATOM 211 CB LEU A 16 2.311 6.265 -4.147 1.00 0.00 C ATOM 212 CG LEU A 16 1.265 7.342 -4.435 1.00 0.00 C ATOM 213 CD1 LEU A 16 1.806 8.720 -4.086 1.00 0.00 C ATOM 214 CD2 LEU A 16 0.835 7.290 -5.894 1.00 0.00 C ATOM 0 H LEU A 16 3.253 3.837 -4.910 1.00 0.00 H new ATOM 0 HA LEU A 16 1.412 4.838 -2.814 1.00 0.00 H new ATOM 0 HB2 LEU A 16 2.915 6.591 -3.300 1.00 0.00 H new ATOM 0 HB3 LEU A 16 2.978 6.196 -5.006 1.00 0.00 H new ATOM 0 HG LEU A 16 0.392 7.149 -3.812 1.00 0.00 H new ATOM 0 HD11 LEU A 16 1.047 9.473 -4.298 1.00 0.00 H new ATOM 0 HD12 LEU A 16 2.064 8.752 -3.027 1.00 0.00 H new ATOM 0 HD13 LEU A 16 2.695 8.923 -4.682 1.00 0.00 H new ATOM 0 HD21 LEU A 16 0.090 8.063 -6.082 1.00 0.00 H new ATOM 0 HD22 LEU A 16 1.701 7.457 -6.535 1.00 0.00 H new ATOM 0 HD23 LEU A 16 0.406 6.312 -6.112 1.00 0.00 H new ATOM 226 N LEU A 17 -0.612 4.799 -4.289 1.00 0.00 N ATOM 227 CA LEU A 17 -1.814 4.542 -5.074 1.00 0.00 C ATOM 228 C LEU A 17 -2.553 5.841 -5.380 1.00 0.00 C ATOM 229 O LEU A 17 -3.088 6.489 -4.481 1.00 0.00 O ATOM 230 CB LEU A 17 -2.740 3.580 -4.328 1.00 0.00 C ATOM 231 CG LEU A 17 -4.163 3.458 -4.873 1.00 0.00 C ATOM 232 CD1 LEU A 17 -4.177 2.622 -6.144 1.00 0.00 C ATOM 233 CD2 LEU A 17 -5.086 2.854 -3.825 1.00 0.00 C ATOM 0 H LEU A 17 -0.789 5.179 -3.359 1.00 0.00 H new ATOM 0 HA LEU A 17 -1.511 4.087 -6.017 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -2.284 2.590 -4.335 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -2.797 3.897 -3.287 1.00 0.00 H new ATOM 0 HG LEU A 17 -4.526 4.457 -5.115 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -5.198 2.546 -6.518 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -3.549 3.096 -6.898 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -3.794 1.625 -5.928 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -6.095 2.775 -4.231 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -4.726 1.862 -3.551 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -5.100 3.492 -2.941 1.00 0.00 H new ATOM 245 N ASP A 18 -2.579 6.215 -6.655 1.00 0.00 N ATOM 246 CA ASP A 18 -3.255 7.435 -7.080 1.00 0.00 C ATOM 247 C ASP A 18 -4.663 7.130 -7.580 1.00 0.00 C ATOM 248 O ASP A 18 -4.844 6.359 -8.524 1.00 0.00 O ATOM 249 CB ASP A 18 -2.450 8.133 -8.178 1.00 0.00 C ATOM 250 CG ASP A 18 -1.952 7.166 -9.234 1.00 0.00 C ATOM 251 OD1 ASP A 18 -2.531 6.066 -9.351 1.00 0.00 O ATOM 252 OD2 ASP A 18 -0.982 7.509 -9.943 1.00 0.00 O ATOM 0 H ASP A 18 -2.140 5.691 -7.412 1.00 0.00 H new ATOM 0 HA ASP A 18 -3.331 8.098 -6.218 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -3.070 8.895 -8.651 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -1.600 8.647 -7.730 1.00 0.00 H new ATOM 257 N ILE A 19 -5.657 7.738 -6.942 1.00 0.00 N ATOM 258 CA ILE A 19 -7.049 7.531 -7.323 1.00 0.00 C ATOM 259 C ILE A 19 -7.561 8.683 -8.181 1.00 0.00 C ATOM 260 O ILE A 19 -8.719 8.694 -8.597 1.00 0.00 O ATOM 261 CB ILE A 19 -7.955 7.386 -6.086 1.00 0.00 C ATOM 262 CG1 ILE A 19 -7.949 8.678 -5.267 1.00 0.00 C ATOM 263 CG2 ILE A 19 -7.502 6.210 -5.233 1.00 0.00 C ATOM 264 CD1 ILE A 19 -9.049 8.742 -4.231 1.00 0.00 C ATOM 0 H ILE A 19 -5.525 8.378 -6.159 1.00 0.00 H new ATOM 0 HA ILE A 19 -7.084 6.607 -7.900 1.00 0.00 H new ATOM 0 HB ILE A 19 -8.975 7.196 -6.421 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -6.985 8.778 -4.768 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -8.048 9.527 -5.943 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -8.152 6.120 -4.363 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -7.554 5.293 -5.820 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -6.476 6.373 -4.904 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -8.983 9.685 -3.688 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -10.018 8.674 -4.725 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -8.939 7.913 -3.532 1.00 0.00 H new ATOM 276 N GLY A 20 -6.689 9.652 -8.444 1.00 0.00 N ATOM 277 CA GLY A 20 -7.071 10.794 -9.254 1.00 0.00 C ATOM 278 C GLY A 20 -8.256 11.542 -8.678 1.00 0.00 C ATOM 279 O GLY A 20 -8.415 11.627 -7.460 1.00 0.00 O ATOM 0 H GLY A 20 -5.725 9.666 -8.111 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -6.223 11.474 -9.341 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -7.313 10.456 -10.262 1.00 0.00 H new ATOM 283 N LYS A 21 -9.092 12.089 -9.554 1.00 0.00 N ATOM 284 CA LYS A 21 -10.269 12.835 -9.127 1.00 0.00 C ATOM 285 C LYS A 21 -11.440 11.895 -8.858 1.00 0.00 C ATOM 286 O LYS A 21 -11.560 10.841 -9.482 1.00 0.00 O ATOM 287 CB LYS A 21 -10.661 13.863 -10.192 1.00 0.00 C ATOM 288 CG LYS A 21 -9.738 15.068 -10.242 1.00 0.00 C ATOM 289 CD LYS A 21 -9.903 15.842 -11.539 1.00 0.00 C ATOM 290 CE LYS A 21 -9.540 17.309 -11.362 1.00 0.00 C ATOM 291 NZ LYS A 21 -8.085 17.549 -11.571 1.00 0.00 N ATOM 0 H LYS A 21 -8.976 12.029 -10.566 1.00 0.00 H new ATOM 0 HA LYS A 21 -10.023 13.355 -8.201 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -10.666 13.379 -11.168 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -11.679 14.203 -10.000 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -9.948 15.723 -9.397 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -8.703 14.740 -10.142 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -9.272 15.400 -12.310 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -10.934 15.760 -11.884 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -10.113 17.912 -12.066 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -9.822 17.635 -10.361 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -7.878 18.560 -11.442 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -7.539 16.993 -10.882 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -7.821 17.262 -12.535 1.00 0.00 H new ATOM 305 N VAL A 22 -12.303 12.285 -7.924 1.00 0.00 N ATOM 306 CA VAL A 22 -13.466 11.479 -7.574 1.00 0.00 C ATOM 307 C VAL A 22 -14.661 12.359 -7.226 1.00 0.00 C ATOM 308 O VAL A 22 -14.551 13.283 -6.420 1.00 0.00 O ATOM 309 CB VAL A 22 -13.166 10.547 -6.384 1.00 0.00 C ATOM 310 CG1 VAL A 22 -12.022 9.603 -6.721 1.00 0.00 C ATOM 311 CG2 VAL A 22 -12.848 11.360 -5.139 1.00 0.00 C ATOM 0 H VAL A 22 -12.218 13.154 -7.397 1.00 0.00 H new ATOM 0 HA VAL A 22 -13.706 10.875 -8.449 1.00 0.00 H new ATOM 0 HB VAL A 22 -14.053 9.947 -6.182 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -11.824 8.952 -5.869 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -12.293 8.997 -7.585 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -11.128 10.182 -6.950 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -12.639 10.686 -4.308 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -11.976 11.987 -5.327 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -13.701 11.991 -4.889 1.00 0.00 H new ATOM 321 N PHE A 23 -15.803 12.067 -7.840 1.00 0.00 N ATOM 322 CA PHE A 23 -17.020 12.833 -7.596 1.00 0.00 C ATOM 323 C PHE A 23 -17.377 12.829 -6.113 1.00 0.00 C ATOM 324 O PHE A 23 -17.144 11.846 -5.408 1.00 0.00 O ATOM 325 CB PHE A 23 -18.180 12.261 -8.413 1.00 0.00 C ATOM 326 CG PHE A 23 -19.269 13.259 -8.687 1.00 0.00 C ATOM 327 CD1 PHE A 23 -18.977 14.483 -9.265 1.00 0.00 C ATOM 328 CD2 PHE A 23 -20.586 12.971 -8.365 1.00 0.00 C ATOM 329 CE1 PHE A 23 -19.977 15.403 -9.517 1.00 0.00 C ATOM 330 CE2 PHE A 23 -21.591 13.887 -8.615 1.00 0.00 C ATOM 331 CZ PHE A 23 -21.286 15.104 -9.193 1.00 0.00 C ATOM 0 H PHE A 23 -15.911 11.306 -8.510 1.00 0.00 H new ATOM 0 HA PHE A 23 -16.840 13.863 -7.905 1.00 0.00 H new ATOM 0 HB2 PHE A 23 -17.796 11.885 -9.361 1.00 0.00 H new ATOM 0 HB3 PHE A 23 -18.604 11.409 -7.881 1.00 0.00 H new ATOM 0 HD1 PHE A 23 -17.955 14.722 -9.522 1.00 0.00 H new ATOM 0 HD2 PHE A 23 -20.830 12.021 -7.914 1.00 0.00 H new ATOM 0 HE1 PHE A 23 -19.735 16.355 -9.967 1.00 0.00 H new ATOM 0 HE2 PHE A 23 -22.613 13.651 -8.359 1.00 0.00 H new ATOM 0 HZ PHE A 23 -22.070 15.820 -9.391 1.00 0.00 H new ATOM 341 N THR A 24 -17.945 13.935 -5.643 1.00 0.00 N ATOM 342 CA THR A 24 -18.333 14.061 -4.244 1.00 0.00 C ATOM 343 C THR A 24 -19.587 13.247 -3.946 1.00 0.00 C ATOM 344 O THR A 24 -20.416 13.022 -4.827 1.00 0.00 O ATOM 345 CB THR A 24 -18.586 15.531 -3.861 1.00 0.00 C ATOM 346 OG1 THR A 24 -18.800 15.640 -2.449 1.00 0.00 O ATOM 347 CG2 THR A 24 -19.791 16.085 -4.606 1.00 0.00 C ATOM 0 H THR A 24 -18.147 14.757 -6.212 1.00 0.00 H new ATOM 0 HA THR A 24 -17.504 13.676 -3.650 1.00 0.00 H new ATOM 0 HB THR A 24 -17.707 16.112 -4.141 1.00 0.00 H new ATOM 0 HG1 THR A 24 -18.958 16.578 -2.214 1.00 0.00 H new ATOM 0 HG21 THR A 24 -19.950 17.124 -4.319 1.00 0.00 H new ATOM 0 HG22 THR A 24 -19.613 16.028 -5.680 1.00 0.00 H new ATOM 0 HG23 THR A 24 -20.675 15.500 -4.354 1.00 0.00 H new ATOM 355 N GLY A 25 -19.720 12.808 -2.698 1.00 0.00 N ATOM 356 CA GLY A 25 -20.876 12.024 -2.306 1.00 0.00 C ATOM 357 C GLY A 25 -21.016 10.751 -3.118 1.00 0.00 C ATOM 358 O GLY A 25 -22.103 10.428 -3.596 1.00 0.00 O ATOM 0 H GLY A 25 -19.047 12.982 -1.951 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -20.797 11.770 -1.249 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -21.777 12.627 -2.423 1.00 0.00 H new ATOM 362 N SER A 26 -19.912 10.028 -3.275 1.00 0.00 N ATOM 363 CA SER A 26 -19.914 8.786 -4.039 1.00 0.00 C ATOM 364 C SER A 26 -18.901 7.796 -3.470 1.00 0.00 C ATOM 365 O SER A 26 -17.850 8.189 -2.965 1.00 0.00 O ATOM 366 CB SER A 26 -19.599 9.066 -5.509 1.00 0.00 C ATOM 367 OG SER A 26 -20.553 9.948 -6.076 1.00 0.00 O ATOM 0 H SER A 26 -19.005 10.281 -2.883 1.00 0.00 H new ATOM 0 HA SER A 26 -20.908 8.345 -3.965 1.00 0.00 H new ATOM 0 HB2 SER A 26 -18.603 9.499 -5.594 1.00 0.00 H new ATOM 0 HB3 SER A 26 -19.588 8.130 -6.067 1.00 0.00 H new ATOM 0 HG SER A 26 -20.329 10.112 -7.016 1.00 0.00 H new ATOM 373 N ALA A 27 -19.227 6.511 -3.556 1.00 0.00 N ATOM 374 CA ALA A 27 -18.347 5.464 -3.052 1.00 0.00 C ATOM 375 C ALA A 27 -17.277 5.107 -4.078 1.00 0.00 C ATOM 376 O ALA A 27 -17.553 5.021 -5.275 1.00 0.00 O ATOM 377 CB ALA A 27 -19.154 4.230 -2.677 1.00 0.00 C ATOM 0 H ALA A 27 -20.094 6.170 -3.970 1.00 0.00 H new ATOM 0 HA ALA A 27 -17.847 5.842 -2.160 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -18.483 3.457 -2.302 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -19.877 4.489 -1.904 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -19.681 3.859 -3.556 1.00 0.00 H new ATOM 383 N HIS A 28 -16.053 4.900 -3.602 1.00 0.00 N ATOM 384 CA HIS A 28 -14.940 4.551 -4.478 1.00 0.00 C ATOM 385 C HIS A 28 -14.492 3.113 -4.241 1.00 0.00 C ATOM 386 O HIS A 28 -14.324 2.685 -3.098 1.00 0.00 O ATOM 387 CB HIS A 28 -13.768 5.507 -4.254 1.00 0.00 C ATOM 388 CG HIS A 28 -14.187 6.879 -3.822 1.00 0.00 C ATOM 389 ND1 HIS A 28 -13.369 7.725 -3.105 1.00 0.00 N ATOM 390 CD2 HIS A 28 -15.347 7.551 -4.013 1.00 0.00 C ATOM 391 CE1 HIS A 28 -14.007 8.858 -2.871 1.00 0.00 C ATOM 392 NE2 HIS A 28 -15.210 8.778 -3.412 1.00 0.00 N ATOM 0 H HIS A 28 -15.807 4.968 -2.614 1.00 0.00 H new ATOM 0 HA HIS A 28 -15.280 4.641 -5.510 1.00 0.00 H new ATOM 0 HB2 HIS A 28 -13.104 5.084 -3.499 1.00 0.00 H new ATOM 0 HB3 HIS A 28 -13.193 5.586 -5.176 1.00 0.00 H new ATOM 0 HD1 HIS A 28 -12.419 7.510 -2.802 1.00 0.00 H new ATOM 0 HD2 HIS A 28 -16.218 7.189 -4.540 1.00 0.00 H new ATOM 0 HE1 HIS A 28 -13.613 9.705 -2.330 1.00 0.00 H new ATOM 400 N CYS A 29 -14.299 2.371 -5.326 1.00 0.00 N ATOM 401 CA CYS A 29 -13.872 0.980 -5.236 1.00 0.00 C ATOM 402 C CYS A 29 -12.392 0.843 -5.579 1.00 0.00 C ATOM 403 O CYS A 29 -11.972 1.144 -6.696 1.00 0.00 O ATOM 404 CB CYS A 29 -14.707 0.106 -6.173 1.00 0.00 C ATOM 405 SG CYS A 29 -14.577 0.560 -7.918 1.00 0.00 S ATOM 0 H CYS A 29 -14.432 2.710 -6.279 1.00 0.00 H new ATOM 0 HA CYS A 29 -14.022 0.646 -4.209 1.00 0.00 H new ATOM 0 HB2 CYS A 29 -14.398 -0.933 -6.055 1.00 0.00 H new ATOM 0 HB3 CYS A 29 -15.753 0.164 -5.871 1.00 0.00 H new ATOM 0 HG CYS A 29 -13.356 0.918 -8.183 1.00 0.00 H new ATOM 411 N TYR A 30 -11.605 0.388 -4.610 1.00 0.00 N ATOM 412 CA TYR A 30 -10.171 0.215 -4.807 1.00 0.00 C ATOM 413 C TYR A 30 -9.685 -1.081 -4.165 1.00 0.00 C ATOM 414 O TYR A 30 -10.348 -1.639 -3.291 1.00 0.00 O ATOM 415 CB TYR A 30 -9.407 1.404 -4.222 1.00 0.00 C ATOM 416 CG TYR A 30 -9.851 2.740 -4.776 1.00 0.00 C ATOM 417 CD1 TYR A 30 -9.931 2.955 -6.146 1.00 0.00 C ATOM 418 CD2 TYR A 30 -10.191 3.786 -3.927 1.00 0.00 C ATOM 419 CE1 TYR A 30 -10.335 4.173 -6.655 1.00 0.00 C ATOM 420 CE2 TYR A 30 -10.598 5.008 -4.428 1.00 0.00 C ATOM 421 CZ TYR A 30 -10.667 5.197 -5.793 1.00 0.00 C ATOM 422 OH TYR A 30 -11.072 6.412 -6.296 1.00 0.00 O ATOM 0 H TYR A 30 -11.937 0.132 -3.680 1.00 0.00 H new ATOM 0 HA TYR A 30 -9.982 0.162 -5.879 1.00 0.00 H new ATOM 0 HB2 TYR A 30 -9.533 1.409 -3.139 1.00 0.00 H new ATOM 0 HB3 TYR A 30 -8.343 1.274 -4.419 1.00 0.00 H new ATOM 0 HD1 TYR A 30 -9.673 2.156 -6.825 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -10.136 3.642 -2.858 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -10.391 4.323 -7.723 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -10.861 5.811 -3.755 1.00 0.00 H new ATOM 0 HH TYR A 30 -11.877 6.289 -6.841 1.00 0.00 H new ATOM 432 N GLU A 31 -8.523 -1.553 -4.606 1.00 0.00 N ATOM 433 CA GLU A 31 -7.948 -2.783 -4.075 1.00 0.00 C ATOM 434 C GLU A 31 -6.436 -2.653 -3.917 1.00 0.00 C ATOM 435 O GLU A 31 -5.811 -1.781 -4.520 1.00 0.00 O ATOM 436 CB GLU A 31 -8.276 -3.963 -4.991 1.00 0.00 C ATOM 437 CG GLU A 31 -7.823 -5.305 -4.442 1.00 0.00 C ATOM 438 CD GLU A 31 -8.157 -6.458 -5.369 1.00 0.00 C ATOM 439 OE1 GLU A 31 -7.430 -6.646 -6.366 1.00 0.00 O ATOM 440 OE2 GLU A 31 -9.145 -7.171 -5.097 1.00 0.00 O ATOM 0 H GLU A 31 -7.962 -1.102 -5.329 1.00 0.00 H new ATOM 0 HA GLU A 31 -8.385 -2.963 -3.093 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -9.353 -3.993 -5.159 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -7.807 -3.800 -5.961 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -6.746 -5.280 -4.273 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -8.293 -5.475 -3.473 1.00 0.00 H new ATOM 447 N ALA A 32 -5.855 -3.526 -3.101 1.00 0.00 N ATOM 448 CA ALA A 32 -4.416 -3.510 -2.864 1.00 0.00 C ATOM 449 C ALA A 32 -3.917 -4.883 -2.425 1.00 0.00 C ATOM 450 O ALA A 32 -4.293 -5.379 -1.362 1.00 0.00 O ATOM 451 CB ALA A 32 -4.064 -2.460 -1.822 1.00 0.00 C ATOM 0 H ALA A 32 -6.358 -4.253 -2.593 1.00 0.00 H new ATOM 0 HA ALA A 32 -3.921 -3.255 -3.801 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -2.987 -2.460 -1.655 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -4.377 -1.478 -2.175 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -4.576 -2.689 -0.887 1.00 0.00 H new ATOM 457 N ILE A 33 -3.070 -5.491 -3.248 1.00 0.00 N ATOM 458 CA ILE A 33 -2.520 -6.805 -2.943 1.00 0.00 C ATOM 459 C ILE A 33 -1.278 -6.692 -2.065 1.00 0.00 C ATOM 460 O ILE A 33 -0.451 -5.798 -2.253 1.00 0.00 O ATOM 461 CB ILE A 33 -2.158 -7.576 -4.227 1.00 0.00 C ATOM 462 CG1 ILE A 33 -3.093 -7.175 -5.369 1.00 0.00 C ATOM 463 CG2 ILE A 33 -2.226 -9.076 -3.981 1.00 0.00 C ATOM 464 CD1 ILE A 33 -4.546 -7.087 -4.958 1.00 0.00 C ATOM 0 H ILE A 33 -2.750 -5.094 -4.131 1.00 0.00 H new ATOM 0 HA ILE A 33 -3.294 -7.353 -2.405 1.00 0.00 H new ATOM 0 HB ILE A 33 -1.137 -7.320 -4.511 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -2.777 -6.210 -5.765 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -2.996 -7.899 -6.178 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -1.968 -9.607 -4.897 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -1.523 -9.348 -3.194 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -3.236 -9.349 -3.676 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -5.150 -6.798 -5.818 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -4.879 -8.057 -4.590 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -4.657 -6.342 -4.170 1.00 0.00 H new ATOM 476 N LEU A 34 -1.153 -7.603 -1.107 1.00 0.00 N ATOM 477 CA LEU A 34 -0.011 -7.607 -0.199 1.00 0.00 C ATOM 478 C LEU A 34 0.700 -8.956 -0.224 1.00 0.00 C ATOM 479 O LEU A 34 0.144 -9.970 0.200 1.00 0.00 O ATOM 480 CB LEU A 34 -0.464 -7.282 1.225 1.00 0.00 C ATOM 481 CG LEU A 34 0.629 -6.820 2.189 1.00 0.00 C ATOM 482 CD1 LEU A 34 1.010 -5.374 1.911 1.00 0.00 C ATOM 483 CD2 LEU A 34 0.173 -6.986 3.631 1.00 0.00 C ATOM 0 H LEU A 34 -1.828 -8.349 -0.938 1.00 0.00 H new ATOM 0 HA LEU A 34 0.690 -6.842 -0.533 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -1.227 -6.505 1.174 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -0.939 -8.169 1.645 1.00 0.00 H new ATOM 0 HG LEU A 34 1.510 -7.442 2.034 1.00 0.00 H new ATOM 0 HD11 LEU A 34 1.789 -5.063 2.607 1.00 0.00 H new ATOM 0 HD12 LEU A 34 1.379 -5.285 0.889 1.00 0.00 H new ATOM 0 HD13 LEU A 34 0.135 -4.736 2.037 1.00 0.00 H new ATOM 0 HD21 LEU A 34 0.963 -6.652 4.303 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -0.723 -6.389 3.800 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -0.048 -8.036 3.824 1.00 0.00 H new ATOM 495 N TYR A 35 1.931 -8.962 -0.721 1.00 0.00 N ATOM 496 CA TYR A 35 2.718 -10.187 -0.801 1.00 0.00 C ATOM 497 C TYR A 35 3.498 -10.419 0.490 1.00 0.00 C ATOM 498 O TYR A 35 4.221 -9.540 0.957 1.00 0.00 O ATOM 499 CB TYR A 35 3.681 -10.123 -1.988 1.00 0.00 C ATOM 500 CG TYR A 35 2.986 -10.038 -3.328 1.00 0.00 C ATOM 501 CD1 TYR A 35 2.282 -8.898 -3.696 1.00 0.00 C ATOM 502 CD2 TYR A 35 3.032 -11.098 -4.225 1.00 0.00 C ATOM 503 CE1 TYR A 35 1.645 -8.816 -4.919 1.00 0.00 C ATOM 504 CE2 TYR A 35 2.399 -11.024 -5.451 1.00 0.00 C ATOM 505 CZ TYR A 35 1.706 -9.881 -5.793 1.00 0.00 C ATOM 506 OH TYR A 35 1.073 -9.804 -7.012 1.00 0.00 O ATOM 0 H TYR A 35 2.406 -8.132 -1.075 1.00 0.00 H new ATOM 0 HA TYR A 35 2.031 -11.021 -0.944 1.00 0.00 H new ATOM 0 HB2 TYR A 35 4.332 -9.257 -1.870 1.00 0.00 H new ATOM 0 HB3 TYR A 35 4.320 -11.006 -1.975 1.00 0.00 H new ATOM 0 HD1 TYR A 35 2.232 -8.062 -3.014 1.00 0.00 H new ATOM 0 HD2 TYR A 35 3.572 -11.995 -3.960 1.00 0.00 H new ATOM 0 HE1 TYR A 35 1.102 -7.922 -5.189 1.00 0.00 H new ATOM 0 HE2 TYR A 35 2.446 -11.856 -6.138 1.00 0.00 H new ATOM 0 HH TYR A 35 1.215 -10.638 -7.507 1.00 0.00 H new ATOM 516 N ASN A 36 3.345 -11.610 1.060 1.00 0.00 N ATOM 517 CA ASN A 36 4.035 -11.959 2.296 1.00 0.00 C ATOM 518 C ASN A 36 5.342 -12.688 2.003 1.00 0.00 C ATOM 519 O ASN A 36 5.340 -13.846 1.585 1.00 0.00 O ATOM 520 CB ASN A 36 3.138 -12.831 3.176 1.00 0.00 C ATOM 521 CG ASN A 36 3.816 -13.237 4.471 1.00 0.00 C ATOM 522 OD1 ASN A 36 4.495 -12.432 5.108 1.00 0.00 O ATOM 523 ND2 ASN A 36 3.634 -14.492 4.866 1.00 0.00 N ATOM 0 H ASN A 36 2.750 -12.349 0.686 1.00 0.00 H new ATOM 0 HA ASN A 36 4.266 -11.035 2.827 1.00 0.00 H new ATOM 0 HB2 ASN A 36 2.220 -12.289 3.404 1.00 0.00 H new ATOM 0 HB3 ASN A 36 2.851 -13.726 2.623 1.00 0.00 H new ATOM 0 HD21 ASN A 36 4.065 -14.823 5.729 1.00 0.00 H new ATOM 0 HD22 ASN A 36 3.063 -15.125 4.306 1.00 0.00 H new ATOM 530 N LYS A 37 6.459 -12.003 2.225 1.00 0.00 N ATOM 531 CA LYS A 37 7.775 -12.584 1.987 1.00 0.00 C ATOM 532 C LYS A 37 8.294 -13.286 3.238 1.00 0.00 C ATOM 533 O LYS A 37 9.499 -13.337 3.478 1.00 0.00 O ATOM 534 CB LYS A 37 8.763 -11.500 1.550 1.00 0.00 C ATOM 535 CG LYS A 37 8.418 -10.866 0.214 1.00 0.00 C ATOM 536 CD LYS A 37 8.760 -11.786 -0.945 1.00 0.00 C ATOM 537 CE LYS A 37 7.896 -11.494 -2.163 1.00 0.00 C ATOM 538 NZ LYS A 37 7.845 -12.653 -3.097 1.00 0.00 N ATOM 0 H LYS A 37 6.479 -11.043 2.570 1.00 0.00 H new ATOM 0 HA LYS A 37 7.680 -13.322 1.191 1.00 0.00 H new ATOM 0 HB2 LYS A 37 8.798 -10.723 2.313 1.00 0.00 H new ATOM 0 HB3 LYS A 37 9.762 -11.933 1.490 1.00 0.00 H new ATOM 0 HG2 LYS A 37 7.355 -10.626 0.188 1.00 0.00 H new ATOM 0 HG3 LYS A 37 8.959 -9.926 0.106 1.00 0.00 H new ATOM 0 HD2 LYS A 37 9.811 -11.668 -1.207 1.00 0.00 H new ATOM 0 HD3 LYS A 37 8.622 -12.823 -0.640 1.00 0.00 H new ATOM 0 HE2 LYS A 37 6.886 -11.243 -1.840 1.00 0.00 H new ATOM 0 HE3 LYS A 37 8.289 -10.622 -2.687 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 7.247 -12.415 -3.914 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 8.806 -12.877 -3.425 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 7.446 -13.478 -2.605 1.00 0.00 H new ATOM 552 N GLY A 38 7.375 -13.827 4.033 1.00 0.00 N ATOM 553 CA GLY A 38 7.760 -14.520 5.248 1.00 0.00 C ATOM 554 C GLY A 38 7.753 -16.027 5.084 1.00 0.00 C ATOM 555 O GLY A 38 6.971 -16.569 4.303 1.00 0.00 O ATOM 0 H GLY A 38 6.371 -13.797 3.857 1.00 0.00 H new ATOM 0 HA2 GLY A 38 8.756 -14.195 5.548 1.00 0.00 H new ATOM 0 HA3 GLY A 38 7.079 -14.242 6.052 1.00 0.00 H new ATOM 559 N SER A 39 8.626 -16.705 5.821 1.00 0.00 N ATOM 560 CA SER A 39 8.721 -18.159 5.750 1.00 0.00 C ATOM 561 C SER A 39 7.461 -18.813 6.309 1.00 0.00 C ATOM 562 O SER A 39 6.974 -19.807 5.770 1.00 0.00 O ATOM 563 CB SER A 39 9.949 -18.649 6.520 1.00 0.00 C ATOM 564 OG SER A 39 10.344 -19.938 6.081 1.00 0.00 O ATOM 0 H SER A 39 9.278 -16.271 6.475 1.00 0.00 H new ATOM 0 HA SER A 39 8.822 -18.442 4.702 1.00 0.00 H new ATOM 0 HB2 SER A 39 10.772 -17.947 6.384 1.00 0.00 H new ATOM 0 HB3 SER A 39 9.726 -18.677 7.587 1.00 0.00 H new ATOM 0 HG SER A 39 11.131 -20.229 6.587 1.00 0.00 H new ATOM 570 N ILE A 40 6.940 -18.248 7.393 1.00 0.00 N ATOM 571 CA ILE A 40 5.737 -18.776 8.025 1.00 0.00 C ATOM 572 C ILE A 40 4.635 -17.723 8.073 1.00 0.00 C ATOM 573 O ILE A 40 4.818 -16.595 7.613 1.00 0.00 O ATOM 574 CB ILE A 40 6.022 -19.270 9.455 1.00 0.00 C ATOM 575 CG1 ILE A 40 6.469 -18.105 10.341 1.00 0.00 C ATOM 576 CG2 ILE A 40 7.079 -20.364 9.436 1.00 0.00 C ATOM 577 CD1 ILE A 40 7.858 -17.599 10.018 1.00 0.00 C ATOM 0 H ILE A 40 7.332 -17.425 7.852 1.00 0.00 H new ATOM 0 HA ILE A 40 5.406 -19.619 7.418 1.00 0.00 H new ATOM 0 HB ILE A 40 5.104 -19.686 9.870 1.00 0.00 H new ATOM 0 HG12 ILE A 40 5.759 -17.285 10.235 1.00 0.00 H new ATOM 0 HG13 ILE A 40 6.439 -18.420 11.384 1.00 0.00 H new ATOM 0 HG21 ILE A 40 7.270 -20.703 10.454 1.00 0.00 H new ATOM 0 HG22 ILE A 40 6.725 -21.202 8.835 1.00 0.00 H new ATOM 0 HG23 ILE A 40 8.000 -19.972 9.005 1.00 0.00 H new ATOM 0 HD11 ILE A 40 8.109 -16.774 10.685 1.00 0.00 H new ATOM 0 HD12 ILE A 40 8.579 -18.405 10.152 1.00 0.00 H new ATOM 0 HD13 ILE A 40 7.888 -17.253 8.985 1.00 0.00 H new ATOM 589 N ASP A 41 3.490 -18.097 8.634 1.00 0.00 N ATOM 590 CA ASP A 41 2.359 -17.185 8.746 1.00 0.00 C ATOM 591 C ASP A 41 2.814 -15.810 9.227 1.00 0.00 C ATOM 592 O ASP A 41 3.657 -15.701 10.117 1.00 0.00 O ATOM 593 CB ASP A 41 1.311 -17.752 9.705 1.00 0.00 C ATOM 594 CG ASP A 41 0.615 -18.977 9.143 1.00 0.00 C ATOM 595 OD1 ASP A 41 0.247 -18.955 7.950 1.00 0.00 O ATOM 596 OD2 ASP A 41 0.438 -19.957 9.897 1.00 0.00 O ATOM 0 H ASP A 41 3.321 -19.027 9.018 1.00 0.00 H new ATOM 0 HA ASP A 41 1.914 -17.076 7.757 1.00 0.00 H new ATOM 0 HB2 ASP A 41 1.789 -18.011 10.650 1.00 0.00 H new ATOM 0 HB3 ASP A 41 0.569 -16.984 9.923 1.00 0.00 H new ATOM 601 N ALA A 42 2.252 -14.764 8.630 1.00 0.00 N ATOM 602 CA ALA A 42 2.600 -13.397 8.998 1.00 0.00 C ATOM 603 C ALA A 42 1.370 -12.624 9.462 1.00 0.00 C ATOM 604 O ALA A 42 0.440 -12.394 8.689 1.00 0.00 O ATOM 605 CB ALA A 42 3.261 -12.687 7.826 1.00 0.00 C ATOM 0 H ALA A 42 1.554 -14.837 7.890 1.00 0.00 H new ATOM 0 HA ALA A 42 3.305 -13.438 9.828 1.00 0.00 H new ATOM 0 HB1 ALA A 42 3.515 -11.667 8.115 1.00 0.00 H new ATOM 0 HB2 ALA A 42 4.168 -13.221 7.542 1.00 0.00 H new ATOM 0 HB3 ALA A 42 2.574 -12.664 6.980 1.00 0.00 H new ATOM 611 N LEU A 43 1.372 -12.225 10.730 1.00 0.00 N ATOM 612 CA LEU A 43 0.256 -11.478 11.298 1.00 0.00 C ATOM 613 C LEU A 43 0.323 -10.008 10.895 1.00 0.00 C ATOM 614 O LEU A 43 1.349 -9.351 11.074 1.00 0.00 O ATOM 615 CB LEU A 43 0.257 -11.601 12.823 1.00 0.00 C ATOM 616 CG LEU A 43 -0.249 -12.928 13.389 1.00 0.00 C ATOM 617 CD1 LEU A 43 0.864 -13.964 13.397 1.00 0.00 C ATOM 618 CD2 LEU A 43 -0.807 -12.731 14.791 1.00 0.00 C ATOM 0 H LEU A 43 2.134 -12.407 11.383 1.00 0.00 H new ATOM 0 HA LEU A 43 -0.669 -11.901 10.906 1.00 0.00 H new ATOM 0 HB2 LEU A 43 1.274 -11.441 13.180 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -0.355 -10.797 13.233 1.00 0.00 H new ATOM 0 HG LEU A 43 -1.052 -13.292 12.748 1.00 0.00 H new ATOM 0 HD11 LEU A 43 0.485 -14.902 13.803 1.00 0.00 H new ATOM 0 HD12 LEU A 43 1.218 -14.126 12.379 1.00 0.00 H new ATOM 0 HD13 LEU A 43 1.688 -13.608 14.015 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -1.163 -13.686 15.179 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -0.024 -12.344 15.443 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -1.634 -12.022 14.757 1.00 0.00 H new ATOM 630 N PHE A 44 -0.777 -9.498 10.352 1.00 0.00 N ATOM 631 CA PHE A 44 -0.843 -8.105 9.925 1.00 0.00 C ATOM 632 C PHE A 44 -2.088 -7.423 10.486 1.00 0.00 C ATOM 633 O PHE A 44 -3.045 -8.085 10.883 1.00 0.00 O ATOM 634 CB PHE A 44 -0.845 -8.017 8.397 1.00 0.00 C ATOM 635 CG PHE A 44 -2.155 -8.411 7.776 1.00 0.00 C ATOM 636 CD1 PHE A 44 -2.497 -9.746 7.636 1.00 0.00 C ATOM 637 CD2 PHE A 44 -3.043 -7.445 7.331 1.00 0.00 C ATOM 638 CE1 PHE A 44 -3.701 -10.111 7.065 1.00 0.00 C ATOM 639 CE2 PHE A 44 -4.249 -7.804 6.759 1.00 0.00 C ATOM 640 CZ PHE A 44 -4.578 -9.139 6.625 1.00 0.00 C ATOM 0 H PHE A 44 -1.635 -10.028 10.197 1.00 0.00 H new ATOM 0 HA PHE A 44 0.037 -7.591 10.311 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -0.603 -6.997 8.099 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -0.057 -8.659 8.003 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -1.815 -10.510 7.977 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -2.790 -6.400 7.432 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -3.956 -11.155 6.963 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -4.933 -7.042 6.417 1.00 0.00 H new ATOM 0 HZ PHE A 44 -5.519 -9.422 6.177 1.00 0.00 H new ATOM 650 N ASN A 45 -2.064 -6.094 10.515 1.00 0.00 N ATOM 651 CA ASN A 45 -3.189 -5.321 11.028 1.00 0.00 C ATOM 652 C ASN A 45 -3.151 -3.889 10.502 1.00 0.00 C ATOM 653 O ASN A 45 -2.084 -3.287 10.389 1.00 0.00 O ATOM 654 CB ASN A 45 -3.175 -5.314 12.558 1.00 0.00 C ATOM 655 CG ASN A 45 -4.304 -4.489 13.144 1.00 0.00 C ATOM 656 OD1 ASN A 45 -4.073 -3.564 13.923 1.00 0.00 O ATOM 657 ND2 ASN A 45 -5.535 -4.820 12.770 1.00 0.00 N ATOM 0 H ASN A 45 -1.278 -5.531 10.190 1.00 0.00 H new ATOM 0 HA ASN A 45 -4.109 -5.792 10.682 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -3.250 -6.338 12.924 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -2.221 -4.919 12.908 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -6.335 -4.300 13.131 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -5.680 -5.594 12.122 1.00 0.00 H new ATOM 664 N MET A 46 -4.323 -3.351 10.182 1.00 0.00 N ATOM 665 CA MET A 46 -4.424 -1.989 9.670 1.00 0.00 C ATOM 666 C MET A 46 -4.728 -1.006 10.795 1.00 0.00 C ATOM 667 O MET A 46 -5.572 -1.269 11.653 1.00 0.00 O ATOM 668 CB MET A 46 -5.509 -1.905 8.595 1.00 0.00 C ATOM 669 CG MET A 46 -5.254 -2.810 7.401 1.00 0.00 C ATOM 670 SD MET A 46 -4.013 -2.142 6.276 1.00 0.00 S ATOM 671 CE MET A 46 -4.645 -0.486 6.019 1.00 0.00 C ATOM 0 H MET A 46 -5.216 -3.837 10.268 1.00 0.00 H new ATOM 0 HA MET A 46 -3.464 -1.721 9.228 1.00 0.00 H new ATOM 0 HB2 MET A 46 -6.470 -2.166 9.039 1.00 0.00 H new ATOM 0 HB3 MET A 46 -5.587 -0.874 8.249 1.00 0.00 H new ATOM 0 HG2 MET A 46 -4.929 -3.789 7.755 1.00 0.00 H new ATOM 0 HG3 MET A 46 -6.187 -2.961 6.858 1.00 0.00 H new ATOM 0 HE1 MET A 46 -4.537 -0.214 4.969 1.00 0.00 H new ATOM 0 HE2 MET A 46 -5.699 -0.452 6.296 1.00 0.00 H new ATOM 0 HE3 MET A 46 -4.085 0.217 6.635 1.00 0.00 H new ATOM 681 N THR A 47 -4.036 0.129 10.787 1.00 0.00 N ATOM 682 CA THR A 47 -4.232 1.151 11.808 1.00 0.00 C ATOM 683 C THR A 47 -5.093 2.294 11.283 1.00 0.00 C ATOM 684 O THR A 47 -4.918 2.771 10.162 1.00 0.00 O ATOM 685 CB THR A 47 -2.887 1.720 12.298 1.00 0.00 C ATOM 686 OG1 THR A 47 -2.083 0.670 12.848 1.00 0.00 O ATOM 687 CG2 THR A 47 -3.107 2.800 13.347 1.00 0.00 C ATOM 0 H THR A 47 -3.335 0.364 10.085 1.00 0.00 H new ATOM 0 HA THR A 47 -4.741 0.670 12.643 1.00 0.00 H new ATOM 0 HB THR A 47 -2.372 2.163 11.446 1.00 0.00 H new ATOM 0 HG1 THR A 47 -1.348 1.058 13.367 1.00 0.00 H new ATOM 0 HG21 THR A 47 -2.143 3.187 13.678 1.00 0.00 H new ATOM 0 HG22 THR A 47 -3.695 3.611 12.917 1.00 0.00 H new ATOM 0 HG23 THR A 47 -3.640 2.377 14.198 1.00 0.00 H new ATOM 695 N PRO A 48 -6.047 2.746 12.111 1.00 0.00 N ATOM 696 CA PRO A 48 -6.953 3.841 11.752 1.00 0.00 C ATOM 697 C PRO A 48 -6.239 5.186 11.682 1.00 0.00 C ATOM 698 O PRO A 48 -5.367 5.496 12.494 1.00 0.00 O ATOM 699 CB PRO A 48 -7.979 3.839 12.888 1.00 0.00 C ATOM 700 CG PRO A 48 -7.262 3.234 14.045 1.00 0.00 C ATOM 701 CD PRO A 48 -6.312 2.224 13.462 1.00 0.00 C ATOM 0 HA PRO A 48 -7.390 3.700 10.763 1.00 0.00 H new ATOM 0 HB2 PRO A 48 -8.318 4.849 13.117 1.00 0.00 H new ATOM 0 HB3 PRO A 48 -8.863 3.259 12.622 1.00 0.00 H new ATOM 0 HG2 PRO A 48 -6.724 3.994 14.611 1.00 0.00 H new ATOM 0 HG3 PRO A 48 -7.962 2.760 14.733 1.00 0.00 H new ATOM 0 HD2 PRO A 48 -5.397 2.147 14.050 1.00 0.00 H new ATOM 0 HD3 PRO A 48 -6.755 1.228 13.429 1.00 0.00 H new ATOM 709 N PRO A 49 -6.616 6.006 10.689 1.00 0.00 N ATOM 710 CA PRO A 49 -6.024 7.332 10.490 1.00 0.00 C ATOM 711 C PRO A 49 -6.423 8.315 11.585 1.00 0.00 C ATOM 712 O PRO A 49 -7.213 7.987 12.471 1.00 0.00 O ATOM 713 CB PRO A 49 -6.593 7.775 9.140 1.00 0.00 C ATOM 714 CG PRO A 49 -7.871 7.022 9.001 1.00 0.00 C ATOM 715 CD PRO A 49 -7.649 5.701 9.685 1.00 0.00 C ATOM 0 HA PRO A 49 -4.935 7.301 10.519 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -6.763 8.851 9.116 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -5.906 7.543 8.326 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -8.696 7.566 9.461 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -8.128 6.880 7.951 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -8.563 5.330 10.149 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -7.314 4.937 8.984 1.00 0.00 H new ATOM 723 N THR A 50 -5.873 9.524 11.518 1.00 0.00 N ATOM 724 CA THR A 50 -6.172 10.555 12.504 1.00 0.00 C ATOM 725 C THR A 50 -6.982 11.689 11.886 1.00 0.00 C ATOM 726 O THR A 50 -7.824 12.295 12.548 1.00 0.00 O ATOM 727 CB THR A 50 -4.883 11.134 13.118 1.00 0.00 C ATOM 728 OG1 THR A 50 -3.992 11.555 12.079 1.00 0.00 O ATOM 729 CG2 THR A 50 -4.193 10.105 14.000 1.00 0.00 C ATOM 0 H THR A 50 -5.218 9.813 10.791 1.00 0.00 H new ATOM 0 HA THR A 50 -6.759 10.081 13.290 1.00 0.00 H new ATOM 0 HB THR A 50 -5.154 11.992 13.733 1.00 0.00 H new ATOM 0 HG1 THR A 50 -3.176 11.923 12.477 1.00 0.00 H new ATOM 0 HG21 THR A 50 -3.286 10.537 14.422 1.00 0.00 H new ATOM 0 HG22 THR A 50 -4.863 9.809 14.807 1.00 0.00 H new ATOM 0 HG23 THR A 50 -3.935 9.230 13.404 1.00 0.00 H new ATOM 737 N SER A 51 -6.721 11.970 10.613 1.00 0.00 N ATOM 738 CA SER A 51 -7.424 13.034 9.907 1.00 0.00 C ATOM 739 C SER A 51 -8.836 12.595 9.529 1.00 0.00 C ATOM 740 O SER A 51 -9.199 11.430 9.689 1.00 0.00 O ATOM 741 CB SER A 51 -6.651 13.439 8.651 1.00 0.00 C ATOM 742 OG SER A 51 -5.336 13.858 8.974 1.00 0.00 O ATOM 0 H SER A 51 -6.028 11.476 10.050 1.00 0.00 H new ATOM 0 HA SER A 51 -7.495 13.893 10.574 1.00 0.00 H new ATOM 0 HB2 SER A 51 -6.608 12.598 7.959 1.00 0.00 H new ATOM 0 HB3 SER A 51 -7.178 14.245 8.140 1.00 0.00 H new ATOM 0 HG SER A 51 -4.862 14.110 8.154 1.00 0.00 H new ATOM 748 N ALA A 52 -9.627 13.537 9.027 1.00 0.00 N ATOM 749 CA ALA A 52 -10.998 13.249 8.624 1.00 0.00 C ATOM 750 C ALA A 52 -11.035 12.513 7.289 1.00 0.00 C ATOM 751 O ALA A 52 -11.632 11.442 7.175 1.00 0.00 O ATOM 752 CB ALA A 52 -11.806 14.535 8.542 1.00 0.00 C ATOM 0 H ALA A 52 -9.342 14.507 8.890 1.00 0.00 H new ATOM 0 HA ALA A 52 -11.443 12.601 9.379 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -12.828 14.304 8.240 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -11.817 15.021 9.518 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -11.353 15.203 7.809 1.00 0.00 H new ATOM 758 N LEU A 53 -10.393 13.093 6.281 1.00 0.00 N ATOM 759 CA LEU A 53 -10.352 12.492 4.952 1.00 0.00 C ATOM 760 C LEU A 53 -9.764 11.085 5.009 1.00 0.00 C ATOM 761 O LEU A 53 -10.010 10.263 4.128 1.00 0.00 O ATOM 762 CB LEU A 53 -9.530 13.363 4.002 1.00 0.00 C ATOM 763 CG LEU A 53 -10.304 14.434 3.233 1.00 0.00 C ATOM 764 CD1 LEU A 53 -11.134 13.802 2.126 1.00 0.00 C ATOM 765 CD2 LEU A 53 -11.192 15.232 4.178 1.00 0.00 C ATOM 0 H LEU A 53 -9.894 13.979 6.358 1.00 0.00 H new ATOM 0 HA LEU A 53 -11.374 12.424 4.579 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -8.746 13.854 4.578 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -9.036 12.712 3.281 1.00 0.00 H new ATOM 0 HG LEU A 53 -9.587 15.116 2.777 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -11.678 14.580 1.590 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -10.477 13.276 1.434 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -11.843 13.097 2.560 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -11.735 15.990 3.614 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -11.902 14.562 4.663 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -10.575 15.716 4.935 1.00 0.00 H new ATOM 777 N GLY A 54 -8.987 10.816 6.053 1.00 0.00 N ATOM 778 CA GLY A 54 -8.377 9.508 6.206 1.00 0.00 C ATOM 779 C GLY A 54 -9.349 8.474 6.740 1.00 0.00 C ATOM 780 O GLY A 54 -9.397 7.346 6.251 1.00 0.00 O ATOM 0 H GLY A 54 -8.769 11.480 6.796 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -7.991 9.176 5.242 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -7.525 9.585 6.882 1.00 0.00 H new ATOM 784 N ALA A 55 -10.126 8.859 7.748 1.00 0.00 N ATOM 785 CA ALA A 55 -11.101 7.958 8.348 1.00 0.00 C ATOM 786 C ALA A 55 -12.066 7.415 7.299 1.00 0.00 C ATOM 787 O ALA A 55 -12.304 6.209 7.227 1.00 0.00 O ATOM 788 CB ALA A 55 -11.867 8.670 9.454 1.00 0.00 C ATOM 0 H ALA A 55 -10.098 9.789 8.166 1.00 0.00 H new ATOM 0 HA ALA A 55 -10.562 7.114 8.779 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -12.592 7.985 9.894 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -11.170 9.003 10.223 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -12.388 9.532 9.039 1.00 0.00 H new ATOM 794 N CYS A 56 -12.618 8.312 6.490 1.00 0.00 N ATOM 795 CA CYS A 56 -13.558 7.922 5.445 1.00 0.00 C ATOM 796 C CYS A 56 -13.151 6.595 4.814 1.00 0.00 C ATOM 797 O CYS A 56 -13.989 5.725 4.577 1.00 0.00 O ATOM 798 CB CYS A 56 -13.638 9.008 4.371 1.00 0.00 C ATOM 799 SG CYS A 56 -14.440 10.533 4.920 1.00 0.00 S ATOM 0 H CYS A 56 -12.431 9.314 6.537 1.00 0.00 H new ATOM 0 HA CYS A 56 -14.540 7.800 5.902 1.00 0.00 H new ATOM 0 HB2 CYS A 56 -12.629 9.243 4.031 1.00 0.00 H new ATOM 0 HB3 CYS A 56 -14.180 8.614 3.511 1.00 0.00 H new ATOM 0 HG CYS A 56 -13.606 11.525 4.813 1.00 0.00 H new ATOM 805 N PHE A 57 -11.858 6.446 4.543 1.00 0.00 N ATOM 806 CA PHE A 57 -11.339 5.226 3.937 1.00 0.00 C ATOM 807 C PHE A 57 -11.607 4.018 4.831 1.00 0.00 C ATOM 808 O PHE A 57 -11.542 4.112 6.057 1.00 0.00 O ATOM 809 CB PHE A 57 -9.837 5.359 3.677 1.00 0.00 C ATOM 810 CG PHE A 57 -9.503 6.325 2.577 1.00 0.00 C ATOM 811 CD1 PHE A 57 -9.582 7.692 2.789 1.00 0.00 C ATOM 812 CD2 PHE A 57 -9.110 5.866 1.330 1.00 0.00 C ATOM 813 CE1 PHE A 57 -9.275 8.582 1.778 1.00 0.00 C ATOM 814 CE2 PHE A 57 -8.802 6.752 0.315 1.00 0.00 C ATOM 815 CZ PHE A 57 -8.884 8.112 0.540 1.00 0.00 C ATOM 0 H PHE A 57 -11.151 7.156 4.734 1.00 0.00 H new ATOM 0 HA PHE A 57 -11.853 5.075 2.988 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -9.345 5.681 4.595 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -9.432 4.379 3.425 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -9.887 8.066 3.755 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -9.044 4.803 1.149 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -9.341 9.645 1.956 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -8.498 6.381 -0.653 1.00 0.00 H new ATOM 0 HZ PHE A 57 -8.643 8.807 -0.251 1.00 0.00 H new ATOM 825 N VAL A 58 -11.909 2.883 4.208 1.00 0.00 N ATOM 826 CA VAL A 58 -12.186 1.657 4.946 1.00 0.00 C ATOM 827 C VAL A 58 -11.344 0.499 4.423 1.00 0.00 C ATOM 828 O VAL A 58 -11.642 -0.076 3.375 1.00 0.00 O ATOM 829 CB VAL A 58 -13.676 1.274 4.859 1.00 0.00 C ATOM 830 CG1 VAL A 58 -13.941 -0.017 5.619 1.00 0.00 C ATOM 831 CG2 VAL A 58 -14.547 2.403 5.390 1.00 0.00 C ATOM 0 H VAL A 58 -11.968 2.788 3.194 1.00 0.00 H new ATOM 0 HA VAL A 58 -11.928 1.849 5.987 1.00 0.00 H new ATOM 0 HB VAL A 58 -13.931 1.110 3.812 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -14.998 -0.272 5.546 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -13.344 -0.821 5.189 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -13.671 0.116 6.667 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -15.596 2.116 5.321 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -14.292 2.600 6.431 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -14.377 3.303 4.798 1.00 0.00 H new ATOM 841 N PHE A 59 -10.291 0.160 5.159 1.00 0.00 N ATOM 842 CA PHE A 59 -9.404 -0.930 4.769 1.00 0.00 C ATOM 843 C PHE A 59 -9.805 -2.231 5.459 1.00 0.00 C ATOM 844 O PHE A 59 -10.161 -2.236 6.637 1.00 0.00 O ATOM 845 CB PHE A 59 -7.954 -0.584 5.112 1.00 0.00 C ATOM 846 CG PHE A 59 -7.395 0.540 4.288 1.00 0.00 C ATOM 847 CD1 PHE A 59 -7.683 1.858 4.603 1.00 0.00 C ATOM 848 CD2 PHE A 59 -6.581 0.279 3.197 1.00 0.00 C ATOM 849 CE1 PHE A 59 -7.170 2.894 3.845 1.00 0.00 C ATOM 850 CE2 PHE A 59 -6.065 1.310 2.436 1.00 0.00 C ATOM 851 CZ PHE A 59 -6.359 2.620 2.761 1.00 0.00 C ATOM 0 H PHE A 59 -10.031 0.624 6.029 1.00 0.00 H new ATOM 0 HA PHE A 59 -9.492 -1.068 3.691 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -7.893 -0.316 6.167 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -7.335 -1.470 4.972 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -8.315 2.079 5.450 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -6.347 -0.743 2.939 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -7.403 3.917 4.100 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -5.433 1.092 1.588 1.00 0.00 H new ATOM 0 HZ PHE A 59 -5.956 3.428 2.169 1.00 0.00 H new ATOM 861 N SER A 60 -9.746 -3.331 4.715 1.00 0.00 N ATOM 862 CA SER A 60 -10.107 -4.637 5.253 1.00 0.00 C ATOM 863 C SER A 60 -9.363 -5.750 4.522 1.00 0.00 C ATOM 864 O SER A 60 -8.898 -5.584 3.394 1.00 0.00 O ATOM 865 CB SER A 60 -11.617 -4.859 5.142 1.00 0.00 C ATOM 866 OG SER A 60 -12.298 -4.289 6.246 1.00 0.00 O ATOM 0 H SER A 60 -9.452 -3.344 3.738 1.00 0.00 H new ATOM 0 HA SER A 60 -9.820 -4.661 6.304 1.00 0.00 H new ATOM 0 HB2 SER A 60 -11.986 -4.418 4.216 1.00 0.00 H new ATOM 0 HB3 SER A 60 -11.828 -5.927 5.092 1.00 0.00 H new ATOM 0 HG SER A 60 -11.763 -3.557 6.618 1.00 0.00 H new ATOM 872 N PRO A 61 -9.247 -6.914 5.178 1.00 0.00 N ATOM 873 CA PRO A 61 -9.797 -7.124 6.521 1.00 0.00 C ATOM 874 C PRO A 61 -9.041 -6.336 7.586 1.00 0.00 C ATOM 875 O PRO A 61 -7.822 -6.184 7.513 1.00 0.00 O ATOM 876 CB PRO A 61 -9.622 -8.628 6.745 1.00 0.00 C ATOM 877 CG PRO A 61 -8.485 -9.013 5.863 1.00 0.00 C ATOM 878 CD PRO A 61 -8.571 -8.115 4.660 1.00 0.00 C ATOM 0 HA PRO A 61 -10.830 -6.785 6.596 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -9.405 -8.850 7.790 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -10.528 -9.175 6.484 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -7.532 -8.886 6.377 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -8.554 -10.061 5.573 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -7.584 -7.880 4.262 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -9.138 -8.578 3.852 1.00 0.00 H new ATOM 886 N LYS A 62 -9.773 -5.836 8.575 1.00 0.00 N ATOM 887 CA LYS A 62 -9.173 -5.064 9.657 1.00 0.00 C ATOM 888 C LYS A 62 -7.999 -5.817 10.276 1.00 0.00 C ATOM 889 O LYS A 62 -7.168 -5.228 10.966 1.00 0.00 O ATOM 890 CB LYS A 62 -10.218 -4.755 10.732 1.00 0.00 C ATOM 891 CG LYS A 62 -10.888 -5.993 11.302 1.00 0.00 C ATOM 892 CD LYS A 62 -12.289 -5.688 11.804 1.00 0.00 C ATOM 893 CE LYS A 62 -12.266 -5.147 13.226 1.00 0.00 C ATOM 894 NZ LYS A 62 -11.921 -6.205 14.215 1.00 0.00 N ATOM 0 H LYS A 62 -10.784 -5.951 8.650 1.00 0.00 H new ATOM 0 HA LYS A 62 -8.803 -4.128 9.240 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -9.741 -4.204 11.543 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -10.981 -4.102 10.308 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -10.936 -6.767 10.536 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -10.286 -6.390 12.119 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -12.763 -4.961 11.145 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -12.895 -6.593 11.768 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -11.542 -4.335 13.294 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -13.241 -4.725 13.470 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -12.221 -5.904 15.164 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -12.408 -7.089 13.962 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -10.893 -6.362 14.211 1.00 0.00 H new ATOM 908 N GLU A 63 -7.938 -7.120 10.022 1.00 0.00 N ATOM 909 CA GLU A 63 -6.865 -7.952 10.554 1.00 0.00 C ATOM 910 C GLU A 63 -6.966 -9.378 10.021 1.00 0.00 C ATOM 911 O GLU A 63 -8.021 -9.804 9.554 1.00 0.00 O ATOM 912 CB GLU A 63 -6.909 -7.963 12.084 1.00 0.00 C ATOM 913 CG GLU A 63 -7.798 -9.054 12.658 1.00 0.00 C ATOM 914 CD GLU A 63 -7.094 -10.393 12.750 1.00 0.00 C ATOM 915 OE1 GLU A 63 -5.945 -10.426 13.239 1.00 0.00 O ATOM 916 OE2 GLU A 63 -7.690 -11.408 12.333 1.00 0.00 O ATOM 0 H GLU A 63 -8.618 -7.622 9.452 1.00 0.00 H new ATOM 0 HA GLU A 63 -5.915 -7.528 10.228 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -5.897 -8.091 12.468 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -7.263 -6.994 12.436 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -8.136 -8.757 13.651 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -8.687 -9.157 12.036 1.00 0.00 H new ATOM 923 N GLY A 64 -5.858 -10.111 10.093 1.00 0.00 N ATOM 924 CA GLY A 64 -5.843 -11.480 9.614 1.00 0.00 C ATOM 925 C GLY A 64 -4.441 -12.053 9.543 1.00 0.00 C ATOM 926 O GLY A 64 -3.601 -11.764 10.396 1.00 0.00 O ATOM 0 H GLY A 64 -4.972 -9.780 10.474 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -6.452 -12.099 10.272 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -6.300 -11.521 8.625 1.00 0.00 H new ATOM 930 N ILE A 65 -4.188 -12.870 8.525 1.00 0.00 N ATOM 931 CA ILE A 65 -2.879 -13.485 8.348 1.00 0.00 C ATOM 932 C ILE A 65 -2.602 -13.773 6.876 1.00 0.00 C ATOM 933 O ILE A 65 -3.463 -14.285 6.161 1.00 0.00 O ATOM 934 CB ILE A 65 -2.760 -14.796 9.147 1.00 0.00 C ATOM 935 CG1 ILE A 65 -3.045 -14.544 10.629 1.00 0.00 C ATOM 936 CG2 ILE A 65 -1.378 -15.405 8.965 1.00 0.00 C ATOM 937 CD1 ILE A 65 -3.040 -15.802 11.469 1.00 0.00 C ATOM 0 H ILE A 65 -4.872 -13.121 7.811 1.00 0.00 H new ATOM 0 HA ILE A 65 -2.143 -12.773 8.722 1.00 0.00 H new ATOM 0 HB ILE A 65 -3.499 -15.502 8.769 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -2.300 -13.852 11.021 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -4.015 -14.056 10.726 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -1.310 -16.331 9.536 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -1.210 -15.617 7.909 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -0.622 -14.704 9.319 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -3.249 -15.547 12.508 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -3.805 -16.487 11.103 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -2.063 -16.280 11.403 1.00 0.00 H new ATOM 949 N ILE A 66 -1.394 -13.442 6.432 1.00 0.00 N ATOM 950 CA ILE A 66 -1.002 -13.668 5.046 1.00 0.00 C ATOM 951 C ILE A 66 -0.064 -14.864 4.928 1.00 0.00 C ATOM 952 O ILE A 66 1.082 -14.812 5.374 1.00 0.00 O ATOM 953 CB ILE A 66 -0.313 -12.428 4.446 1.00 0.00 C ATOM 954 CG1 ILE A 66 -1.139 -11.171 4.732 1.00 0.00 C ATOM 955 CG2 ILE A 66 -0.111 -12.606 2.949 1.00 0.00 C ATOM 956 CD1 ILE A 66 -0.531 -9.908 4.163 1.00 0.00 C ATOM 0 H ILE A 66 -0.670 -13.017 7.011 1.00 0.00 H new ATOM 0 HA ILE A 66 -1.917 -13.870 4.489 1.00 0.00 H new ATOM 0 HB ILE A 66 0.665 -12.312 4.913 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -2.139 -11.301 4.319 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -1.251 -11.057 5.810 1.00 0.00 H new ATOM 0 HG21 ILE A 66 0.377 -11.721 2.540 1.00 0.00 H new ATOM 0 HG22 ILE A 66 0.513 -13.481 2.768 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -1.078 -12.743 2.465 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -1.168 -9.057 4.403 1.00 0.00 H new ATOM 0 HD12 ILE A 66 0.458 -9.754 4.595 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -0.444 -10.002 3.081 1.00 0.00 H new ATOM 968 N GLU A 67 -0.558 -15.939 4.323 1.00 0.00 N ATOM 969 CA GLU A 67 0.238 -17.148 4.145 1.00 0.00 C ATOM 970 C GLU A 67 1.594 -16.821 3.526 1.00 0.00 C ATOM 971 O GLU A 67 1.749 -15.848 2.788 1.00 0.00 O ATOM 972 CB GLU A 67 -0.508 -18.152 3.263 1.00 0.00 C ATOM 973 CG GLU A 67 -0.836 -17.620 1.879 1.00 0.00 C ATOM 974 CD GLU A 67 -1.416 -18.683 0.967 1.00 0.00 C ATOM 975 OE1 GLU A 67 -1.082 -19.872 1.155 1.00 0.00 O ATOM 976 OE2 GLU A 67 -2.204 -18.328 0.066 1.00 0.00 O ATOM 0 H GLU A 67 -1.505 -15.998 3.948 1.00 0.00 H new ATOM 0 HA GLU A 67 0.403 -17.590 5.127 1.00 0.00 H new ATOM 0 HB2 GLU A 67 0.096 -19.054 3.163 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -1.434 -18.442 3.760 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -1.546 -16.797 1.969 1.00 0.00 H new ATOM 0 HG3 GLU A 67 0.068 -17.213 1.427 1.00 0.00 H new ATOM 983 N PRO A 68 2.600 -17.653 3.834 1.00 0.00 N ATOM 984 CA PRO A 68 3.961 -17.473 3.319 1.00 0.00 C ATOM 985 C PRO A 68 4.057 -17.753 1.823 1.00 0.00 C ATOM 986 O PRO A 68 3.384 -18.643 1.305 1.00 0.00 O ATOM 987 CB PRO A 68 4.777 -18.499 4.109 1.00 0.00 C ATOM 988 CG PRO A 68 3.793 -19.548 4.497 1.00 0.00 C ATOM 989 CD PRO A 68 2.487 -18.833 4.707 1.00 0.00 C ATOM 0 HA PRO A 68 4.310 -16.447 3.438 1.00 0.00 H new ATOM 0 HB2 PRO A 68 5.582 -18.916 3.503 1.00 0.00 H new ATOM 0 HB3 PRO A 68 5.240 -18.046 4.986 1.00 0.00 H new ATOM 0 HG2 PRO A 68 3.702 -20.305 3.718 1.00 0.00 H new ATOM 0 HG3 PRO A 68 4.108 -20.061 5.406 1.00 0.00 H new ATOM 0 HD2 PRO A 68 1.638 -19.458 4.430 1.00 0.00 H new ATOM 0 HD3 PRO A 68 2.347 -18.549 5.750 1.00 0.00 H new ATOM 997 N SER A 69 4.898 -16.987 1.135 1.00 0.00 N ATOM 998 CA SER A 69 5.079 -17.152 -0.302 1.00 0.00 C ATOM 999 C SER A 69 3.748 -17.021 -1.036 1.00 0.00 C ATOM 1000 O SER A 69 3.449 -17.793 -1.946 1.00 0.00 O ATOM 1001 CB SER A 69 5.711 -18.511 -0.606 1.00 0.00 C ATOM 1002 OG SER A 69 7.116 -18.472 -0.430 1.00 0.00 O ATOM 0 H SER A 69 5.464 -16.247 1.550 1.00 0.00 H new ATOM 0 HA SER A 69 5.746 -16.364 -0.652 1.00 0.00 H new ATOM 0 HB2 SER A 69 5.281 -19.270 0.048 1.00 0.00 H new ATOM 0 HB3 SER A 69 5.478 -18.803 -1.630 1.00 0.00 H new ATOM 0 HG SER A 69 7.495 -19.353 -0.629 1.00 0.00 H new ATOM 1008 N GLY A 70 2.951 -16.036 -0.632 1.00 0.00 N ATOM 1009 CA GLY A 70 1.661 -15.821 -1.261 1.00 0.00 C ATOM 1010 C GLY A 70 1.281 -14.355 -1.318 1.00 0.00 C ATOM 1011 O GLY A 70 2.148 -13.483 -1.364 1.00 0.00 O ATOM 0 H GLY A 70 3.176 -15.384 0.119 1.00 0.00 H new ATOM 0 HA2 GLY A 70 1.681 -16.228 -2.272 1.00 0.00 H new ATOM 0 HA3 GLY A 70 0.896 -16.370 -0.712 1.00 0.00 H new ATOM 1015 N VAL A 71 -0.020 -14.082 -1.317 1.00 0.00 N ATOM 1016 CA VAL A 71 -0.514 -12.711 -1.370 1.00 0.00 C ATOM 1017 C VAL A 71 -1.789 -12.554 -0.550 1.00 0.00 C ATOM 1018 O VAL A 71 -2.294 -13.520 0.021 1.00 0.00 O ATOM 1019 CB VAL A 71 -0.791 -12.270 -2.819 1.00 0.00 C ATOM 1020 CG1 VAL A 71 0.511 -11.955 -3.540 1.00 0.00 C ATOM 1021 CG2 VAL A 71 -1.575 -13.342 -3.561 1.00 0.00 C ATOM 0 H VAL A 71 -0.751 -14.792 -1.280 1.00 0.00 H new ATOM 0 HA VAL A 71 0.266 -12.077 -0.948 1.00 0.00 H new ATOM 0 HB VAL A 71 -1.394 -11.362 -2.795 1.00 0.00 H new ATOM 0 HG11 VAL A 71 0.295 -11.645 -4.562 1.00 0.00 H new ATOM 0 HG12 VAL A 71 1.030 -11.150 -3.019 1.00 0.00 H new ATOM 0 HG13 VAL A 71 1.142 -12.843 -3.556 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -1.762 -13.014 -4.583 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -1.000 -14.268 -3.577 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -2.525 -13.513 -3.055 1.00 0.00 H new ATOM 1031 N GLN A 72 -2.305 -11.330 -0.497 1.00 0.00 N ATOM 1032 CA GLN A 72 -3.522 -11.047 0.254 1.00 0.00 C ATOM 1033 C GLN A 72 -4.218 -9.802 -0.287 1.00 0.00 C ATOM 1034 O GLN A 72 -3.670 -8.702 -0.238 1.00 0.00 O ATOM 1035 CB GLN A 72 -3.200 -10.861 1.738 1.00 0.00 C ATOM 1036 CG GLN A 72 -4.356 -10.292 2.545 1.00 0.00 C ATOM 1037 CD GLN A 72 -5.449 -11.312 2.796 1.00 0.00 C ATOM 1038 OE1 GLN A 72 -5.221 -12.340 3.433 1.00 0.00 O ATOM 1039 NE2 GLN A 72 -6.647 -11.031 2.295 1.00 0.00 N ATOM 0 H GLN A 72 -1.899 -10.519 -0.965 1.00 0.00 H new ATOM 0 HA GLN A 72 -4.195 -11.897 0.139 1.00 0.00 H new ATOM 0 HB2 GLN A 72 -2.911 -11.823 2.162 1.00 0.00 H new ATOM 0 HB3 GLN A 72 -2.340 -10.199 1.834 1.00 0.00 H new ATOM 0 HG2 GLN A 72 -3.981 -9.924 3.500 1.00 0.00 H new ATOM 0 HG3 GLN A 72 -4.777 -9.436 2.017 1.00 0.00 H new ATOM 0 HE21 GLN A 72 -6.792 -10.167 1.773 1.00 0.00 H new ATOM 0 HE22 GLN A 72 -7.422 -11.680 2.432 1.00 0.00 H new ATOM 1048 N ALA A 73 -5.429 -9.985 -0.803 1.00 0.00 N ATOM 1049 CA ALA A 73 -6.201 -8.877 -1.352 1.00 0.00 C ATOM 1050 C ALA A 73 -6.708 -7.959 -0.244 1.00 0.00 C ATOM 1051 O ALA A 73 -7.211 -8.424 0.779 1.00 0.00 O ATOM 1052 CB ALA A 73 -7.365 -9.402 -2.178 1.00 0.00 C ATOM 0 H ALA A 73 -5.897 -10.890 -0.852 1.00 0.00 H new ATOM 0 HA ALA A 73 -5.544 -8.295 -1.999 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -7.932 -8.563 -2.581 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -6.984 -10.010 -2.998 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -8.014 -10.009 -1.547 1.00 0.00 H new ATOM 1058 N ILE A 74 -6.570 -6.654 -0.455 1.00 0.00 N ATOM 1059 CA ILE A 74 -7.015 -5.672 0.526 1.00 0.00 C ATOM 1060 C ILE A 74 -8.153 -4.820 -0.025 1.00 0.00 C ATOM 1061 O ILE A 74 -7.981 -4.098 -1.006 1.00 0.00 O ATOM 1062 CB ILE A 74 -5.861 -4.748 0.960 1.00 0.00 C ATOM 1063 CG1 ILE A 74 -4.703 -5.573 1.524 1.00 0.00 C ATOM 1064 CG2 ILE A 74 -6.350 -3.738 1.988 1.00 0.00 C ATOM 1065 CD1 ILE A 74 -5.011 -6.212 2.860 1.00 0.00 C ATOM 0 H ILE A 74 -6.154 -6.253 -1.296 1.00 0.00 H new ATOM 0 HA ILE A 74 -7.369 -6.230 1.393 1.00 0.00 H new ATOM 0 HB ILE A 74 -5.502 -4.203 0.087 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -4.441 -6.353 0.809 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -3.828 -4.931 1.630 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -5.524 -3.092 2.285 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -7.146 -3.133 1.553 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -6.731 -4.265 2.863 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -4.145 -6.781 3.199 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -5.244 -5.436 3.589 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -5.866 -6.880 2.755 1.00 0.00 H new ATOM 1077 N GLN A 75 -9.315 -4.910 0.614 1.00 0.00 N ATOM 1078 CA GLN A 75 -10.482 -4.147 0.187 1.00 0.00 C ATOM 1079 C GLN A 75 -10.413 -2.714 0.704 1.00 0.00 C ATOM 1080 O GLN A 75 -10.399 -2.479 1.913 1.00 0.00 O ATOM 1081 CB GLN A 75 -11.765 -4.818 0.681 1.00 0.00 C ATOM 1082 CG GLN A 75 -12.119 -6.087 -0.079 1.00 0.00 C ATOM 1083 CD GLN A 75 -12.427 -5.825 -1.541 1.00 0.00 C ATOM 1084 OE1 GLN A 75 -13.548 -5.460 -1.895 1.00 0.00 O ATOM 1085 NE2 GLN A 75 -11.430 -6.009 -2.398 1.00 0.00 N ATOM 0 H GLN A 75 -9.473 -5.503 1.429 1.00 0.00 H new ATOM 0 HA GLN A 75 -10.490 -4.122 -0.903 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -11.656 -5.056 1.739 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -12.591 -4.111 0.596 1.00 0.00 H new ATOM 0 HG2 GLN A 75 -11.291 -6.792 -0.007 1.00 0.00 H new ATOM 0 HG3 GLN A 75 -12.982 -6.559 0.391 1.00 0.00 H new ATOM 0 HE21 GLN A 75 -10.517 -6.312 -2.060 1.00 0.00 H new ATOM 0 HE22 GLN A 75 -11.577 -5.847 -3.394 1.00 0.00 H new ATOM 1094 N ILE A 76 -10.371 -1.759 -0.219 1.00 0.00 N ATOM 1095 CA ILE A 76 -10.304 -0.349 0.143 1.00 0.00 C ATOM 1096 C ILE A 76 -11.534 0.405 -0.351 1.00 0.00 C ATOM 1097 O ILE A 76 -11.925 0.282 -1.512 1.00 0.00 O ATOM 1098 CB ILE A 76 -9.041 0.321 -0.430 1.00 0.00 C ATOM 1099 CG1 ILE A 76 -7.785 -0.387 0.082 1.00 0.00 C ATOM 1100 CG2 ILE A 76 -9.011 1.797 -0.062 1.00 0.00 C ATOM 1101 CD1 ILE A 76 -6.558 -0.125 -0.761 1.00 0.00 C ATOM 0 H ILE A 76 -10.382 -1.936 -1.223 1.00 0.00 H new ATOM 0 HA ILE A 76 -10.266 -0.305 1.231 1.00 0.00 H new ATOM 0 HB ILE A 76 -9.065 0.238 -1.517 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -7.588 -0.066 1.105 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -7.971 -1.461 0.115 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -8.113 2.257 -0.474 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -9.892 2.292 -0.471 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -9.007 1.901 1.023 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -5.706 -0.658 -0.339 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -6.735 -0.472 -1.779 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -6.347 0.944 -0.774 1.00 0.00 H new ATOM 1113 N SER A 77 -12.140 1.185 0.538 1.00 0.00 N ATOM 1114 CA SER A 77 -13.328 1.958 0.193 1.00 0.00 C ATOM 1115 C SER A 77 -13.226 3.381 0.734 1.00 0.00 C ATOM 1116 O SER A 77 -13.085 3.591 1.938 1.00 0.00 O ATOM 1117 CB SER A 77 -14.582 1.279 0.745 1.00 0.00 C ATOM 1118 OG SER A 77 -15.749 2.010 0.408 1.00 0.00 O ATOM 0 H SER A 77 -11.828 1.299 1.503 1.00 0.00 H new ATOM 0 HA SER A 77 -13.398 2.005 -0.894 1.00 0.00 H new ATOM 0 HB2 SER A 77 -14.656 0.267 0.348 1.00 0.00 H new ATOM 0 HB3 SER A 77 -14.505 1.191 1.829 1.00 0.00 H new ATOM 0 HG SER A 77 -16.537 1.554 0.771 1.00 0.00 H new ATOM 1124 N PHE A 78 -13.299 4.356 -0.167 1.00 0.00 N ATOM 1125 CA PHE A 78 -13.214 5.760 0.218 1.00 0.00 C ATOM 1126 C PHE A 78 -14.476 6.513 -0.192 1.00 0.00 C ATOM 1127 O PHE A 78 -14.977 6.348 -1.304 1.00 0.00 O ATOM 1128 CB PHE A 78 -11.987 6.413 -0.420 1.00 0.00 C ATOM 1129 CG PHE A 78 -11.924 7.900 -0.217 1.00 0.00 C ATOM 1130 CD1 PHE A 78 -12.280 8.461 0.999 1.00 0.00 C ATOM 1131 CD2 PHE A 78 -11.511 8.736 -1.241 1.00 0.00 C ATOM 1132 CE1 PHE A 78 -12.223 9.829 1.190 1.00 0.00 C ATOM 1133 CE2 PHE A 78 -11.452 10.104 -1.056 1.00 0.00 C ATOM 1134 CZ PHE A 78 -11.809 10.651 0.160 1.00 0.00 C ATOM 0 H PHE A 78 -13.417 4.199 -1.168 1.00 0.00 H new ATOM 0 HA PHE A 78 -13.119 5.808 1.303 1.00 0.00 H new ATOM 0 HB2 PHE A 78 -11.087 5.959 -0.005 1.00 0.00 H new ATOM 0 HB3 PHE A 78 -11.987 6.200 -1.489 1.00 0.00 H new ATOM 0 HD1 PHE A 78 -12.606 7.822 1.807 1.00 0.00 H new ATOM 0 HD2 PHE A 78 -11.232 8.314 -2.195 1.00 0.00 H new ATOM 0 HE1 PHE A 78 -12.502 10.254 2.143 1.00 0.00 H new ATOM 0 HE2 PHE A 78 -11.127 10.745 -1.862 1.00 0.00 H new ATOM 0 HZ PHE A 78 -11.765 11.720 0.306 1.00 0.00 H new ATOM 1144 N SER A 79 -14.985 7.341 0.716 1.00 0.00 N ATOM 1145 CA SER A 79 -16.191 8.117 0.451 1.00 0.00 C ATOM 1146 C SER A 79 -16.302 9.294 1.416 1.00 0.00 C ATOM 1147 O SER A 79 -16.365 9.110 2.631 1.00 0.00 O ATOM 1148 CB SER A 79 -17.431 7.228 0.568 1.00 0.00 C ATOM 1149 OG SER A 79 -17.715 6.924 1.922 1.00 0.00 O ATOM 0 H SER A 79 -14.581 7.491 1.640 1.00 0.00 H new ATOM 0 HA SER A 79 -16.127 8.507 -0.565 1.00 0.00 H new ATOM 0 HB2 SER A 79 -18.287 7.731 0.118 1.00 0.00 H new ATOM 0 HB3 SER A 79 -17.274 6.305 0.010 1.00 0.00 H new ATOM 0 HG SER A 79 -17.212 7.530 2.506 1.00 0.00 H new ATOM 1155 N SER A 80 -16.326 10.503 0.864 1.00 0.00 N ATOM 1156 CA SER A 80 -16.426 11.711 1.675 1.00 0.00 C ATOM 1157 C SER A 80 -17.018 12.861 0.865 1.00 0.00 C ATOM 1158 O SER A 80 -16.986 12.848 -0.365 1.00 0.00 O ATOM 1159 CB SER A 80 -15.049 12.106 2.212 1.00 0.00 C ATOM 1160 OG SER A 80 -15.163 12.853 3.410 1.00 0.00 O ATOM 0 H SER A 80 -16.278 10.672 -0.141 1.00 0.00 H new ATOM 0 HA SER A 80 -17.089 11.502 2.515 1.00 0.00 H new ATOM 0 HB2 SER A 80 -14.456 11.210 2.394 1.00 0.00 H new ATOM 0 HB3 SER A 80 -14.518 12.693 1.463 1.00 0.00 H new ATOM 0 HG SER A 80 -15.244 12.241 4.171 1.00 0.00 H new ATOM 1166 N ILE A 81 -17.557 13.853 1.566 1.00 0.00 N ATOM 1167 CA ILE A 81 -18.155 15.011 0.913 1.00 0.00 C ATOM 1168 C ILE A 81 -17.187 16.189 0.889 1.00 0.00 C ATOM 1169 O ILE A 81 -17.388 17.155 0.152 1.00 0.00 O ATOM 1170 CB ILE A 81 -19.455 15.444 1.617 1.00 0.00 C ATOM 1171 CG1 ILE A 81 -19.232 15.551 3.127 1.00 0.00 C ATOM 1172 CG2 ILE A 81 -20.576 14.463 1.309 1.00 0.00 C ATOM 1173 CD1 ILE A 81 -20.305 16.344 3.841 1.00 0.00 C ATOM 0 H ILE A 81 -17.592 13.878 2.585 1.00 0.00 H new ATOM 0 HA ILE A 81 -18.386 14.713 -0.110 1.00 0.00 H new ATOM 0 HB ILE A 81 -19.745 16.425 1.242 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -19.189 14.548 3.552 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -18.264 16.017 3.311 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -21.488 14.782 1.813 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -20.748 14.433 0.233 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -20.297 13.469 1.659 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -20.083 16.379 4.908 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -20.333 17.358 3.443 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -21.273 15.867 3.687 1.00 0.00 H new ATOM 1185 N ILE A 82 -16.135 16.100 1.696 1.00 0.00 N ATOM 1186 CA ILE A 82 -15.134 17.157 1.764 1.00 0.00 C ATOM 1187 C ILE A 82 -14.392 17.298 0.439 1.00 0.00 C ATOM 1188 O ILE A 82 -13.612 16.425 0.056 1.00 0.00 O ATOM 1189 CB ILE A 82 -14.112 16.894 2.886 1.00 0.00 C ATOM 1190 CG1 ILE A 82 -14.788 16.995 4.255 1.00 0.00 C ATOM 1191 CG2 ILE A 82 -12.953 17.874 2.788 1.00 0.00 C ATOM 1192 CD1 ILE A 82 -14.093 16.193 5.333 1.00 0.00 C ATOM 0 H ILE A 82 -15.954 15.307 2.312 1.00 0.00 H new ATOM 0 HA ILE A 82 -15.668 18.083 1.979 1.00 0.00 H new ATOM 0 HB ILE A 82 -13.719 15.884 2.769 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -14.823 18.042 4.558 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -15.820 16.654 4.168 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -12.240 17.675 3.588 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -12.459 17.758 1.824 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -13.329 18.893 2.882 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -14.627 16.312 6.276 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -14.081 15.140 5.053 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -13.069 16.549 5.448 1.00 0.00 H new ATOM 1204 N LEU A 83 -14.638 18.403 -0.256 1.00 0.00 N ATOM 1205 CA LEU A 83 -13.992 18.661 -1.538 1.00 0.00 C ATOM 1206 C LEU A 83 -12.543 19.093 -1.340 1.00 0.00 C ATOM 1207 O LEU A 83 -12.100 19.320 -0.215 1.00 0.00 O ATOM 1208 CB LEU A 83 -14.757 19.737 -2.310 1.00 0.00 C ATOM 1209 CG LEU A 83 -16.257 19.497 -2.489 1.00 0.00 C ATOM 1210 CD1 LEU A 83 -16.918 20.706 -3.132 1.00 0.00 C ATOM 1211 CD2 LEU A 83 -16.500 18.248 -3.324 1.00 0.00 C ATOM 0 H LEU A 83 -15.280 19.135 0.047 1.00 0.00 H new ATOM 0 HA LEU A 83 -14.000 17.736 -2.114 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -14.620 20.689 -1.798 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -14.305 19.838 -3.297 1.00 0.00 H new ATOM 0 HG LEU A 83 -16.702 19.346 -1.505 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -17.985 20.517 -3.251 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -16.773 21.580 -2.497 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -16.470 20.889 -4.109 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -17.572 18.092 -3.442 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -16.041 18.371 -4.305 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -16.060 17.385 -2.824 1.00 0.00 H new ATOM 1223 N GLY A 84 -11.809 19.208 -2.443 1.00 0.00 N ATOM 1224 CA GLY A 84 -10.418 19.615 -2.370 1.00 0.00 C ATOM 1225 C GLY A 84 -9.475 18.437 -2.228 1.00 0.00 C ATOM 1226 O GLY A 84 -9.874 17.366 -1.773 1.00 0.00 O ATOM 0 H GLY A 84 -12.153 19.026 -3.386 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -10.160 20.177 -3.268 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -10.284 20.288 -1.523 1.00 0.00 H new ATOM 1230 N ASN A 85 -8.221 18.634 -2.621 1.00 0.00 N ATOM 1231 CA ASN A 85 -7.219 17.577 -2.538 1.00 0.00 C ATOM 1232 C ASN A 85 -6.970 17.178 -1.087 1.00 0.00 C ATOM 1233 O ASN A 85 -7.260 17.938 -0.163 1.00 0.00 O ATOM 1234 CB ASN A 85 -5.910 18.035 -3.184 1.00 0.00 C ATOM 1235 CG ASN A 85 -5.272 19.193 -2.442 1.00 0.00 C ATOM 1236 OD1 ASN A 85 -5.965 20.046 -1.886 1.00 0.00 O ATOM 1237 ND2 ASN A 85 -3.945 19.228 -2.429 1.00 0.00 N ATOM 0 H ASN A 85 -7.874 19.515 -3.000 1.00 0.00 H new ATOM 0 HA ASN A 85 -7.597 16.708 -3.076 1.00 0.00 H new ATOM 0 HB2 ASN A 85 -5.212 17.199 -3.215 1.00 0.00 H new ATOM 0 HB3 ASN A 85 -6.101 18.330 -4.216 1.00 0.00 H new ATOM 0 HD21 ASN A 85 -3.459 19.983 -1.945 1.00 0.00 H new ATOM 0 HD22 ASN A 85 -3.411 18.500 -2.903 1.00 0.00 H new ATOM 1244 N PHE A 86 -6.430 15.979 -0.893 1.00 0.00 N ATOM 1245 CA PHE A 86 -6.141 15.477 0.445 1.00 0.00 C ATOM 1246 C PHE A 86 -5.023 14.440 0.408 1.00 0.00 C ATOM 1247 O PHE A 86 -4.926 13.650 -0.532 1.00 0.00 O ATOM 1248 CB PHE A 86 -7.399 14.866 1.066 1.00 0.00 C ATOM 1249 CG PHE A 86 -7.868 13.622 0.366 1.00 0.00 C ATOM 1250 CD1 PHE A 86 -7.228 12.411 0.574 1.00 0.00 C ATOM 1251 CD2 PHE A 86 -8.950 13.664 -0.498 1.00 0.00 C ATOM 1252 CE1 PHE A 86 -7.658 11.265 -0.069 1.00 0.00 C ATOM 1253 CE2 PHE A 86 -9.385 12.522 -1.144 1.00 0.00 C ATOM 1254 CZ PHE A 86 -8.738 11.321 -0.928 1.00 0.00 C ATOM 0 H PHE A 86 -6.184 15.337 -1.646 1.00 0.00 H new ATOM 0 HA PHE A 86 -5.813 16.317 1.058 1.00 0.00 H new ATOM 0 HB2 PHE A 86 -7.202 14.632 2.112 1.00 0.00 H new ATOM 0 HB3 PHE A 86 -8.199 15.606 1.050 1.00 0.00 H new ATOM 0 HD1 PHE A 86 -6.384 12.362 1.246 1.00 0.00 H new ATOM 0 HD2 PHE A 86 -9.460 14.601 -0.669 1.00 0.00 H new ATOM 0 HE1 PHE A 86 -7.150 10.327 0.100 1.00 0.00 H new ATOM 0 HE2 PHE A 86 -10.229 12.569 -1.816 1.00 0.00 H new ATOM 0 HZ PHE A 86 -9.076 10.427 -1.430 1.00 0.00 H new ATOM 1264 N GLU A 87 -4.180 14.449 1.436 1.00 0.00 N ATOM 1265 CA GLU A 87 -3.068 13.509 1.520 1.00 0.00 C ATOM 1266 C GLU A 87 -3.054 12.803 2.872 1.00 0.00 C ATOM 1267 O GLU A 87 -2.919 13.441 3.915 1.00 0.00 O ATOM 1268 CB GLU A 87 -1.740 14.236 1.297 1.00 0.00 C ATOM 1269 CG GLU A 87 -0.581 13.305 0.985 1.00 0.00 C ATOM 1270 CD GLU A 87 0.693 14.053 0.644 1.00 0.00 C ATOM 1271 OE1 GLU A 87 0.650 14.915 -0.258 1.00 0.00 O ATOM 1272 OE2 GLU A 87 1.732 13.775 1.278 1.00 0.00 O ATOM 0 H GLU A 87 -4.246 15.096 2.222 1.00 0.00 H new ATOM 0 HA GLU A 87 -3.199 12.759 0.740 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -1.857 14.944 0.477 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -1.499 14.816 2.188 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -0.399 12.657 1.843 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -0.853 12.659 0.150 1.00 0.00 H new ATOM 1279 N GLU A 88 -3.194 11.481 2.844 1.00 0.00 N ATOM 1280 CA GLU A 88 -3.198 10.688 4.067 1.00 0.00 C ATOM 1281 C GLU A 88 -2.169 9.564 3.991 1.00 0.00 C ATOM 1282 O GLU A 88 -1.626 9.278 2.924 1.00 0.00 O ATOM 1283 CB GLU A 88 -4.590 10.103 4.318 1.00 0.00 C ATOM 1284 CG GLU A 88 -5.687 11.152 4.390 1.00 0.00 C ATOM 1285 CD GLU A 88 -5.716 11.875 5.723 1.00 0.00 C ATOM 1286 OE1 GLU A 88 -5.068 11.390 6.674 1.00 0.00 O ATOM 1287 OE2 GLU A 88 -6.385 12.925 5.814 1.00 0.00 O ATOM 0 H GLU A 88 -3.306 10.938 1.988 1.00 0.00 H new ATOM 0 HA GLU A 88 -2.933 11.345 4.895 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -4.827 9.396 3.523 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -4.575 9.540 5.251 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -5.543 11.878 3.590 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -6.652 10.675 4.218 1.00 0.00 H new ATOM 1294 N GLU A 89 -1.906 8.931 5.130 1.00 0.00 N ATOM 1295 CA GLU A 89 -0.941 7.840 5.192 1.00 0.00 C ATOM 1296 C GLU A 89 -1.428 6.735 6.125 1.00 0.00 C ATOM 1297 O GLU A 89 -1.786 6.990 7.275 1.00 0.00 O ATOM 1298 CB GLU A 89 0.419 8.358 5.665 1.00 0.00 C ATOM 1299 CG GLU A 89 1.121 9.242 4.648 1.00 0.00 C ATOM 1300 CD GLU A 89 2.084 10.221 5.292 1.00 0.00 C ATOM 1301 OE1 GLU A 89 3.075 9.767 5.900 1.00 0.00 O ATOM 1302 OE2 GLU A 89 1.846 11.443 5.186 1.00 0.00 O ATOM 0 H GLU A 89 -2.348 9.155 6.022 1.00 0.00 H new ATOM 0 HA GLU A 89 -0.836 7.426 4.189 1.00 0.00 H new ATOM 0 HB2 GLU A 89 0.283 8.919 6.589 1.00 0.00 H new ATOM 0 HB3 GLU A 89 1.060 7.508 5.899 1.00 0.00 H new ATOM 0 HG2 GLU A 89 1.665 8.615 3.941 1.00 0.00 H new ATOM 0 HG3 GLU A 89 0.375 9.794 4.076 1.00 0.00 H new ATOM 1309 N PHE A 90 -1.441 5.506 5.620 1.00 0.00 N ATOM 1310 CA PHE A 90 -1.886 4.361 6.405 1.00 0.00 C ATOM 1311 C PHE A 90 -0.712 3.448 6.750 1.00 0.00 C ATOM 1312 O PHE A 90 0.256 3.351 5.995 1.00 0.00 O ATOM 1313 CB PHE A 90 -2.952 3.573 5.640 1.00 0.00 C ATOM 1314 CG PHE A 90 -4.104 4.418 5.177 1.00 0.00 C ATOM 1315 CD1 PHE A 90 -5.216 4.600 5.984 1.00 0.00 C ATOM 1316 CD2 PHE A 90 -4.075 5.032 3.935 1.00 0.00 C ATOM 1317 CE1 PHE A 90 -6.277 5.376 5.560 1.00 0.00 C ATOM 1318 CE2 PHE A 90 -5.134 5.810 3.506 1.00 0.00 C ATOM 1319 CZ PHE A 90 -6.236 5.983 4.320 1.00 0.00 C ATOM 0 H PHE A 90 -1.148 5.277 4.670 1.00 0.00 H new ATOM 0 HA PHE A 90 -2.318 4.735 7.333 1.00 0.00 H new ATOM 0 HB2 PHE A 90 -2.490 3.097 4.775 1.00 0.00 H new ATOM 0 HB3 PHE A 90 -3.331 2.775 6.278 1.00 0.00 H new ATOM 0 HD1 PHE A 90 -5.253 4.130 6.955 1.00 0.00 H new ATOM 0 HD2 PHE A 90 -3.215 4.901 3.295 1.00 0.00 H new ATOM 0 HE1 PHE A 90 -7.138 5.508 6.198 1.00 0.00 H new ATOM 0 HE2 PHE A 90 -5.100 6.282 2.535 1.00 0.00 H new ATOM 0 HZ PHE A 90 -7.064 6.592 3.988 1.00 0.00 H new ATOM 1329 N LEU A 91 -0.806 2.780 7.894 1.00 0.00 N ATOM 1330 CA LEU A 91 0.247 1.875 8.340 1.00 0.00 C ATOM 1331 C LEU A 91 -0.316 0.489 8.637 1.00 0.00 C ATOM 1332 O LEU A 91 -1.506 0.336 8.911 1.00 0.00 O ATOM 1333 CB LEU A 91 0.935 2.436 9.586 1.00 0.00 C ATOM 1334 CG LEU A 91 1.547 3.830 9.445 1.00 0.00 C ATOM 1335 CD1 LEU A 91 2.119 4.299 10.774 1.00 0.00 C ATOM 1336 CD2 LEU A 91 2.623 3.833 8.369 1.00 0.00 C ATOM 0 H LEU A 91 -1.601 2.848 8.530 1.00 0.00 H new ATOM 0 HA LEU A 91 0.979 1.785 7.537 1.00 0.00 H new ATOM 0 HB2 LEU A 91 0.208 2.461 10.398 1.00 0.00 H new ATOM 0 HB3 LEU A 91 1.722 1.744 9.884 1.00 0.00 H new ATOM 0 HG LEU A 91 0.760 4.523 9.147 1.00 0.00 H new ATOM 0 HD11 LEU A 91 2.550 5.293 10.654 1.00 0.00 H new ATOM 0 HD12 LEU A 91 1.325 4.336 11.519 1.00 0.00 H new ATOM 0 HD13 LEU A 91 2.893 3.605 11.102 1.00 0.00 H new ATOM 0 HD21 LEU A 91 3.048 4.833 8.282 1.00 0.00 H new ATOM 0 HD22 LEU A 91 3.409 3.127 8.638 1.00 0.00 H new ATOM 0 HD23 LEU A 91 2.184 3.541 7.415 1.00 0.00 H new ATOM 1348 N VAL A 92 0.549 -0.520 8.581 1.00 0.00 N ATOM 1349 CA VAL A 92 0.139 -1.893 8.847 1.00 0.00 C ATOM 1350 C VAL A 92 0.963 -2.504 9.975 1.00 0.00 C ATOM 1351 O VAL A 92 2.154 -2.766 9.816 1.00 0.00 O ATOM 1352 CB VAL A 92 0.277 -2.773 7.590 1.00 0.00 C ATOM 1353 CG1 VAL A 92 -0.197 -4.190 7.876 1.00 0.00 C ATOM 1354 CG2 VAL A 92 -0.496 -2.167 6.429 1.00 0.00 C ATOM 0 H VAL A 92 1.537 -0.411 8.354 1.00 0.00 H new ATOM 0 HA VAL A 92 -0.909 -1.859 9.144 1.00 0.00 H new ATOM 0 HB VAL A 92 1.330 -2.817 7.312 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -0.092 -4.797 6.977 1.00 0.00 H new ATOM 0 HG12 VAL A 92 0.405 -4.620 8.677 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -1.244 -4.169 8.180 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -0.388 -2.801 5.549 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -1.551 -2.091 6.694 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -0.105 -1.173 6.210 1.00 0.00 H new ATOM 1364 N ASN A 93 0.319 -2.730 11.116 1.00 0.00 N ATOM 1365 CA ASN A 93 0.992 -3.311 12.272 1.00 0.00 C ATOM 1366 C ASN A 93 1.325 -4.779 12.026 1.00 0.00 C ATOM 1367 O ASN A 93 0.447 -5.580 11.703 1.00 0.00 O ATOM 1368 CB ASN A 93 0.117 -3.176 13.519 1.00 0.00 C ATOM 1369 CG ASN A 93 -0.701 -1.899 13.516 1.00 0.00 C ATOM 1370 OD1 ASN A 93 -0.297 -0.888 14.091 1.00 0.00 O ATOM 1371 ND2 ASN A 93 -1.859 -1.939 12.866 1.00 0.00 N ATOM 0 H ASN A 93 -0.668 -2.520 11.264 1.00 0.00 H new ATOM 0 HA ASN A 93 1.923 -2.767 12.430 1.00 0.00 H new ATOM 0 HB2 ASN A 93 -0.553 -4.033 13.584 1.00 0.00 H new ATOM 0 HB3 ASN A 93 0.749 -3.197 14.407 1.00 0.00 H new ATOM 0 HD21 ASN A 93 -2.452 -1.110 12.830 1.00 0.00 H new ATOM 0 HD22 ASN A 93 -2.155 -2.799 12.403 1.00 0.00 H new ATOM 1378 N VAL A 94 2.598 -5.126 12.184 1.00 0.00 N ATOM 1379 CA VAL A 94 3.047 -6.499 11.981 1.00 0.00 C ATOM 1380 C VAL A 94 3.825 -7.006 13.190 1.00 0.00 C ATOM 1381 O VAL A 94 4.746 -6.346 13.670 1.00 0.00 O ATOM 1382 CB VAL A 94 3.932 -6.621 10.727 1.00 0.00 C ATOM 1383 CG1 VAL A 94 4.365 -8.064 10.517 1.00 0.00 C ATOM 1384 CG2 VAL A 94 3.197 -6.093 9.504 1.00 0.00 C ATOM 0 H VAL A 94 3.337 -4.476 12.452 1.00 0.00 H new ATOM 0 HA VAL A 94 2.153 -7.108 11.846 1.00 0.00 H new ATOM 0 HB VAL A 94 4.827 -6.016 10.875 1.00 0.00 H new ATOM 0 HG11 VAL A 94 4.990 -8.130 9.626 1.00 0.00 H new ATOM 0 HG12 VAL A 94 4.932 -8.404 11.384 1.00 0.00 H new ATOM 0 HG13 VAL A 94 3.484 -8.693 10.390 1.00 0.00 H new ATOM 0 HG21 VAL A 94 3.837 -6.187 8.626 1.00 0.00 H new ATOM 0 HG22 VAL A 94 2.285 -6.669 9.351 1.00 0.00 H new ATOM 0 HG23 VAL A 94 2.942 -5.044 9.657 1.00 0.00 H new ATOM 1394 N ASN A 95 3.449 -8.184 13.677 1.00 0.00 N ATOM 1395 CA ASN A 95 4.112 -8.781 14.831 1.00 0.00 C ATOM 1396 C ASN A 95 5.565 -9.117 14.509 1.00 0.00 C ATOM 1397 O ASN A 95 5.846 -9.926 13.626 1.00 0.00 O ATOM 1398 CB ASN A 95 3.371 -10.044 15.274 1.00 0.00 C ATOM 1399 CG ASN A 95 4.123 -10.809 16.346 1.00 0.00 C ATOM 1400 OD1 ASN A 95 4.303 -10.321 17.462 1.00 0.00 O ATOM 1401 ND2 ASN A 95 4.566 -12.016 16.011 1.00 0.00 N ATOM 0 H ASN A 95 2.689 -8.744 13.291 1.00 0.00 H new ATOM 0 HA ASN A 95 4.097 -8.055 15.644 1.00 0.00 H new ATOM 0 HB2 ASN A 95 2.385 -9.771 15.650 1.00 0.00 H new ATOM 0 HB3 ASN A 95 3.214 -10.692 14.411 1.00 0.00 H new ATOM 0 HD21 ASN A 95 5.078 -12.578 16.691 1.00 0.00 H new ATOM 0 HD22 ASN A 95 4.394 -12.381 15.074 1.00 0.00 H new ATOM 1408 N GLY A 96 6.487 -8.491 15.235 1.00 0.00 N ATOM 1409 CA GLY A 96 7.900 -8.736 15.013 1.00 0.00 C ATOM 1410 C GLY A 96 8.558 -7.640 14.199 1.00 0.00 C ATOM 1411 O GLY A 96 9.468 -6.964 14.677 1.00 0.00 O ATOM 0 H GLY A 96 6.280 -7.818 15.973 1.00 0.00 H new ATOM 0 HA2 GLY A 96 8.406 -8.823 15.975 1.00 0.00 H new ATOM 0 HA3 GLY A 96 8.024 -9.690 14.500 1.00 0.00 H new ATOM 1415 N SER A 97 8.098 -7.465 12.964 1.00 0.00 N ATOM 1416 CA SER A 97 8.653 -6.447 12.079 1.00 0.00 C ATOM 1417 C SER A 97 8.962 -5.167 12.851 1.00 0.00 C ATOM 1418 O SER A 97 8.215 -4.749 13.736 1.00 0.00 O ATOM 1419 CB SER A 97 7.677 -6.145 10.940 1.00 0.00 C ATOM 1420 OG SER A 97 6.824 -5.064 11.271 1.00 0.00 O ATOM 0 H SER A 97 7.343 -8.015 12.554 1.00 0.00 H new ATOM 0 HA SER A 97 9.583 -6.832 11.660 1.00 0.00 H new ATOM 0 HB2 SER A 97 8.234 -5.908 10.033 1.00 0.00 H new ATOM 0 HB3 SER A 97 7.079 -7.031 10.725 1.00 0.00 H new ATOM 0 HG SER A 97 7.038 -4.293 10.705 1.00 0.00 H new ATOM 1426 N PRO A 98 10.091 -4.529 12.508 1.00 0.00 N ATOM 1427 CA PRO A 98 10.526 -3.288 13.154 1.00 0.00 C ATOM 1428 C PRO A 98 9.633 -2.104 12.798 1.00 0.00 C ATOM 1429 O PRO A 98 9.281 -1.300 13.660 1.00 0.00 O ATOM 1430 CB PRO A 98 11.939 -3.077 12.603 1.00 0.00 C ATOM 1431 CG PRO A 98 11.945 -3.789 11.295 1.00 0.00 C ATOM 1432 CD PRO A 98 11.029 -4.970 11.462 1.00 0.00 C ATOM 0 HA PRO A 98 10.484 -3.359 14.241 1.00 0.00 H new ATOM 0 HB2 PRO A 98 12.161 -2.017 12.478 1.00 0.00 H new ATOM 0 HB3 PRO A 98 12.692 -3.483 13.278 1.00 0.00 H new ATOM 0 HG2 PRO A 98 11.598 -3.136 10.494 1.00 0.00 H new ATOM 0 HG3 PRO A 98 12.952 -4.111 11.030 1.00 0.00 H new ATOM 0 HD2 PRO A 98 10.511 -5.211 10.534 1.00 0.00 H new ATOM 0 HD3 PRO A 98 11.576 -5.863 11.763 1.00 0.00 H new ATOM 1440 N GLU A 99 9.271 -2.005 11.523 1.00 0.00 N ATOM 1441 CA GLU A 99 8.419 -0.919 11.054 1.00 0.00 C ATOM 1442 C GLU A 99 7.291 -1.452 10.175 1.00 0.00 C ATOM 1443 O GLU A 99 7.467 -2.391 9.398 1.00 0.00 O ATOM 1444 CB GLU A 99 9.245 0.107 10.276 1.00 0.00 C ATOM 1445 CG GLU A 99 8.403 1.153 9.563 1.00 0.00 C ATOM 1446 CD GLU A 99 9.089 1.717 8.335 1.00 0.00 C ATOM 1447 OE1 GLU A 99 9.819 0.958 7.662 1.00 0.00 O ATOM 1448 OE2 GLU A 99 8.899 2.916 8.046 1.00 0.00 O ATOM 0 H GLU A 99 9.554 -2.663 10.797 1.00 0.00 H new ATOM 0 HA GLU A 99 7.979 -0.435 11.926 1.00 0.00 H new ATOM 0 HB2 GLU A 99 9.927 0.608 10.963 1.00 0.00 H new ATOM 0 HB3 GLU A 99 9.859 -0.415 9.542 1.00 0.00 H new ATOM 0 HG2 GLU A 99 7.451 0.710 9.271 1.00 0.00 H new ATOM 0 HG3 GLU A 99 8.178 1.965 10.254 1.00 0.00 H new ATOM 1455 N PRO A 100 6.104 -0.841 10.300 1.00 0.00 N ATOM 1456 CA PRO A 100 4.924 -1.237 9.526 1.00 0.00 C ATOM 1457 C PRO A 100 5.058 -0.889 8.047 1.00 0.00 C ATOM 1458 O PRO A 100 6.032 -0.261 7.632 1.00 0.00 O ATOM 1459 CB PRO A 100 3.792 -0.428 10.165 1.00 0.00 C ATOM 1460 CG PRO A 100 4.466 0.758 10.763 1.00 0.00 C ATOM 1461 CD PRO A 100 5.822 0.285 11.207 1.00 0.00 C ATOM 0 HA PRO A 100 4.763 -2.315 9.551 1.00 0.00 H new ATOM 0 HB2 PRO A 100 3.051 -0.130 9.424 1.00 0.00 H new ATOM 0 HB3 PRO A 100 3.268 -1.010 10.923 1.00 0.00 H new ATOM 0 HG2 PRO A 100 4.553 1.565 10.035 1.00 0.00 H new ATOM 0 HG3 PRO A 100 3.894 1.148 11.605 1.00 0.00 H new ATOM 0 HD2 PRO A 100 6.571 1.071 11.117 1.00 0.00 H new ATOM 0 HD3 PRO A 100 5.816 -0.031 12.250 1.00 0.00 H new ATOM 1469 N VAL A 101 4.072 -1.301 7.255 1.00 0.00 N ATOM 1470 CA VAL A 101 4.079 -1.032 5.823 1.00 0.00 C ATOM 1471 C VAL A 101 3.337 0.261 5.503 1.00 0.00 C ATOM 1472 O VAL A 101 2.135 0.251 5.239 1.00 0.00 O ATOM 1473 CB VAL A 101 3.439 -2.188 5.031 1.00 0.00 C ATOM 1474 CG1 VAL A 101 3.268 -1.803 3.569 1.00 0.00 C ATOM 1475 CG2 VAL A 101 4.275 -3.451 5.164 1.00 0.00 C ATOM 0 H VAL A 101 3.259 -1.822 7.582 1.00 0.00 H new ATOM 0 HA VAL A 101 5.123 -0.932 5.525 1.00 0.00 H new ATOM 0 HB VAL A 101 2.452 -2.388 5.447 1.00 0.00 H new ATOM 0 HG11 VAL A 101 2.815 -2.632 3.025 1.00 0.00 H new ATOM 0 HG12 VAL A 101 2.625 -0.926 3.497 1.00 0.00 H new ATOM 0 HG13 VAL A 101 4.242 -1.575 3.136 1.00 0.00 H new ATOM 0 HG21 VAL A 101 3.808 -4.257 4.598 1.00 0.00 H new ATOM 0 HG22 VAL A 101 5.276 -3.267 4.775 1.00 0.00 H new ATOM 0 HG23 VAL A 101 4.340 -3.735 6.214 1.00 0.00 H new ATOM 1485 N LYS A 102 4.062 1.374 5.528 1.00 0.00 N ATOM 1486 CA LYS A 102 3.474 2.677 5.240 1.00 0.00 C ATOM 1487 C LYS A 102 2.933 2.726 3.814 1.00 0.00 C ATOM 1488 O LYS A 102 3.580 2.258 2.877 1.00 0.00 O ATOM 1489 CB LYS A 102 4.512 3.784 5.441 1.00 0.00 C ATOM 1490 CG LYS A 102 4.020 5.161 5.030 1.00 0.00 C ATOM 1491 CD LYS A 102 5.106 6.211 5.189 1.00 0.00 C ATOM 1492 CE LYS A 102 5.335 6.560 6.651 1.00 0.00 C ATOM 1493 NZ LYS A 102 6.463 7.517 6.823 1.00 0.00 N ATOM 0 H LYS A 102 5.058 1.400 5.745 1.00 0.00 H new ATOM 0 HA LYS A 102 2.645 2.835 5.930 1.00 0.00 H new ATOM 0 HB2 LYS A 102 4.804 3.810 6.491 1.00 0.00 H new ATOM 0 HB3 LYS A 102 5.406 3.541 4.867 1.00 0.00 H new ATOM 0 HG2 LYS A 102 3.687 5.135 3.992 1.00 0.00 H new ATOM 0 HG3 LYS A 102 3.156 5.435 5.635 1.00 0.00 H new ATOM 0 HD2 LYS A 102 6.035 5.844 4.752 1.00 0.00 H new ATOM 0 HD3 LYS A 102 4.828 7.110 4.639 1.00 0.00 H new ATOM 0 HE2 LYS A 102 4.425 6.992 7.068 1.00 0.00 H new ATOM 0 HE3 LYS A 102 5.542 5.650 7.213 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 6.587 7.730 7.833 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 7.337 7.095 6.448 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 6.254 8.396 6.307 1.00 0.00 H new ATOM 1507 N LEU A 103 1.743 3.297 3.657 1.00 0.00 N ATOM 1508 CA LEU A 103 1.116 3.408 2.345 1.00 0.00 C ATOM 1509 C LEU A 103 0.512 4.795 2.147 1.00 0.00 C ATOM 1510 O LEU A 103 -0.391 5.202 2.878 1.00 0.00 O ATOM 1511 CB LEU A 103 0.033 2.340 2.183 1.00 0.00 C ATOM 1512 CG LEU A 103 -0.772 2.392 0.885 1.00 0.00 C ATOM 1513 CD1 LEU A 103 -0.017 1.699 -0.239 1.00 0.00 C ATOM 1514 CD2 LEU A 103 -2.141 1.757 1.080 1.00 0.00 C ATOM 0 H LEU A 103 1.194 3.690 4.422 1.00 0.00 H new ATOM 0 HA LEU A 103 1.885 3.254 1.588 1.00 0.00 H new ATOM 0 HB2 LEU A 103 0.504 1.360 2.256 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -0.660 2.424 3.020 1.00 0.00 H new ATOM 0 HG LEU A 103 -0.914 3.437 0.610 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -0.605 1.746 -1.155 1.00 0.00 H new ATOM 0 HD12 LEU A 103 0.940 2.197 -0.396 1.00 0.00 H new ATOM 0 HD13 LEU A 103 0.156 0.657 0.028 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -2.700 1.803 0.145 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -2.020 0.716 1.379 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -2.685 2.296 1.855 1.00 0.00 H new ATOM 1526 N THR A 104 1.015 5.517 1.150 1.00 0.00 N ATOM 1527 CA THR A 104 0.525 6.857 0.854 1.00 0.00 C ATOM 1528 C THR A 104 -0.486 6.833 -0.286 1.00 0.00 C ATOM 1529 O THR A 104 -0.224 6.268 -1.349 1.00 0.00 O ATOM 1530 CB THR A 104 1.679 7.808 0.483 1.00 0.00 C ATOM 1531 OG1 THR A 104 2.785 7.605 1.369 1.00 0.00 O ATOM 1532 CG2 THR A 104 1.228 9.259 0.550 1.00 0.00 C ATOM 0 H THR A 104 1.762 5.195 0.534 1.00 0.00 H new ATOM 0 HA THR A 104 0.039 7.223 1.759 1.00 0.00 H new ATOM 0 HB THR A 104 1.988 7.588 -0.539 1.00 0.00 H new ATOM 0 HG1 THR A 104 3.515 8.212 1.125 1.00 0.00 H new ATOM 0 HG21 THR A 104 2.060 9.911 0.284 1.00 0.00 H new ATOM 0 HG22 THR A 104 0.406 9.417 -0.148 1.00 0.00 H new ATOM 0 HG23 THR A 104 0.895 9.490 1.562 1.00 0.00 H new ATOM 1540 N ILE A 105 -1.641 7.451 -0.060 1.00 0.00 N ATOM 1541 CA ILE A 105 -2.690 7.501 -1.071 1.00 0.00 C ATOM 1542 C ILE A 105 -3.084 8.941 -1.382 1.00 0.00 C ATOM 1543 O ILE A 105 -3.517 9.681 -0.499 1.00 0.00 O ATOM 1544 CB ILE A 105 -3.941 6.724 -0.622 1.00 0.00 C ATOM 1545 CG1 ILE A 105 -3.620 5.234 -0.483 1.00 0.00 C ATOM 1546 CG2 ILE A 105 -5.079 6.936 -1.610 1.00 0.00 C ATOM 1547 CD1 ILE A 105 -4.690 4.451 0.245 1.00 0.00 C ATOM 0 H ILE A 105 -1.874 7.924 0.814 1.00 0.00 H new ATOM 0 HA ILE A 105 -2.286 7.035 -1.970 1.00 0.00 H new ATOM 0 HB ILE A 105 -4.255 7.101 0.351 1.00 0.00 H new ATOM 0 HG12 ILE A 105 -3.480 4.806 -1.476 1.00 0.00 H new ATOM 0 HG13 ILE A 105 -2.675 5.122 0.048 1.00 0.00 H new ATOM 0 HG21 ILE A 105 -5.956 6.380 -1.279 1.00 0.00 H new ATOM 0 HG22 ILE A 105 -5.321 7.997 -1.664 1.00 0.00 H new ATOM 0 HG23 ILE A 105 -4.776 6.582 -2.595 1.00 0.00 H new ATOM 0 HD11 ILE A 105 -4.396 3.403 0.306 1.00 0.00 H new ATOM 0 HD12 ILE A 105 -4.814 4.853 1.251 1.00 0.00 H new ATOM 0 HD13 ILE A 105 -5.632 4.532 -0.297 1.00 0.00 H new ATOM 1559 N ARG A 106 -2.933 9.331 -2.643 1.00 0.00 N ATOM 1560 CA ARG A 106 -3.274 10.682 -3.072 1.00 0.00 C ATOM 1561 C ARG A 106 -4.572 10.687 -3.873 1.00 0.00 C ATOM 1562 O ARG A 106 -4.786 9.834 -4.734 1.00 0.00 O ATOM 1563 CB ARG A 106 -2.141 11.275 -3.912 1.00 0.00 C ATOM 1564 CG ARG A 106 -2.172 10.840 -5.368 1.00 0.00 C ATOM 1565 CD ARG A 106 -0.938 11.318 -6.118 1.00 0.00 C ATOM 1566 NE ARG A 106 -1.104 11.219 -7.565 1.00 0.00 N ATOM 1567 CZ ARG A 106 -0.139 11.493 -8.436 1.00 0.00 C ATOM 1568 NH1 ARG A 106 1.054 11.880 -8.009 1.00 0.00 N ATOM 1569 NH2 ARG A 106 -0.368 11.379 -9.739 1.00 0.00 N ATOM 0 H ARG A 106 -2.576 8.730 -3.386 1.00 0.00 H new ATOM 0 HA ARG A 106 -3.415 11.294 -2.181 1.00 0.00 H new ATOM 0 HB2 ARG A 106 -2.196 12.363 -3.865 1.00 0.00 H new ATOM 0 HB3 ARG A 106 -1.186 10.985 -3.475 1.00 0.00 H new ATOM 0 HG2 ARG A 106 -2.234 9.753 -5.423 1.00 0.00 H new ATOM 0 HG3 ARG A 106 -3.067 11.235 -5.848 1.00 0.00 H new ATOM 0 HD2 ARG A 106 -0.728 12.353 -5.847 1.00 0.00 H new ATOM 0 HD3 ARG A 106 -0.076 10.726 -5.811 1.00 0.00 H new ATOM 0 HE ARG A 106 -2.011 10.923 -7.927 1.00 0.00 H new ATOM 0 HH11 ARG A 106 1.234 11.968 -7.009 1.00 0.00 H new ATOM 0 HH12 ARG A 106 1.793 12.090 -8.680 1.00 0.00 H new ATOM 0 HH21 ARG A 106 -1.285 11.081 -10.071 1.00 0.00 H new ATOM 0 HH22 ARG A 106 0.373 11.589 -10.407 1.00 0.00 H new ATOM 1583 N GLY A 107 -5.437 11.654 -3.584 1.00 0.00 N ATOM 1584 CA GLY A 107 -6.704 11.752 -4.285 1.00 0.00 C ATOM 1585 C GLY A 107 -7.261 13.162 -4.284 1.00 0.00 C ATOM 1586 O GLY A 107 -6.762 14.032 -3.569 1.00 0.00 O ATOM 0 H GLY A 107 -5.283 12.372 -2.876 1.00 0.00 H new ATOM 0 HA2 GLY A 107 -6.573 11.417 -5.314 1.00 0.00 H new ATOM 0 HA3 GLY A 107 -7.425 11.080 -3.821 1.00 0.00 H new ATOM 1590 N CYS A 108 -8.295 13.388 -5.086 1.00 0.00 N ATOM 1591 CA CYS A 108 -8.918 14.704 -5.176 1.00 0.00 C ATOM 1592 C CYS A 108 -10.437 14.582 -5.249 1.00 0.00 C ATOM 1593 O CYS A 108 -10.973 13.860 -6.090 1.00 0.00 O ATOM 1594 CB CYS A 108 -8.396 15.456 -6.401 1.00 0.00 C ATOM 1595 SG CYS A 108 -6.780 16.230 -6.158 1.00 0.00 S ATOM 0 H CYS A 108 -8.720 12.678 -5.683 1.00 0.00 H new ATOM 0 HA CYS A 108 -8.659 15.264 -4.277 1.00 0.00 H new ATOM 0 HB2 CYS A 108 -8.333 14.763 -7.240 1.00 0.00 H new ATOM 0 HB3 CYS A 108 -9.118 16.225 -6.677 1.00 0.00 H new ATOM 0 HG CYS A 108 -6.180 15.674 -5.148 1.00 0.00 H new ATOM 1601 N VAL A 109 -11.126 15.291 -4.359 1.00 0.00 N ATOM 1602 CA VAL A 109 -12.583 15.261 -4.322 1.00 0.00 C ATOM 1603 C VAL A 109 -13.173 16.552 -4.878 1.00 0.00 C ATOM 1604 O VAL A 109 -12.876 17.643 -4.390 1.00 0.00 O ATOM 1605 CB VAL A 109 -13.103 15.049 -2.888 1.00 0.00 C ATOM 1606 CG1 VAL A 109 -14.606 14.817 -2.894 1.00 0.00 C ATOM 1607 CG2 VAL A 109 -12.379 13.886 -2.226 1.00 0.00 C ATOM 0 H VAL A 109 -10.698 15.892 -3.655 1.00 0.00 H new ATOM 0 HA VAL A 109 -12.899 14.423 -4.943 1.00 0.00 H new ATOM 0 HB VAL A 109 -12.901 15.950 -2.310 1.00 0.00 H new ATOM 0 HG11 VAL A 109 -14.955 14.669 -1.872 1.00 0.00 H new ATOM 0 HG12 VAL A 109 -15.106 15.683 -3.327 1.00 0.00 H new ATOM 0 HG13 VAL A 109 -14.835 13.932 -3.487 1.00 0.00 H new ATOM 0 HG21 VAL A 109 -12.759 13.750 -1.213 1.00 0.00 H new ATOM 0 HG22 VAL A 109 -12.549 12.976 -2.802 1.00 0.00 H new ATOM 0 HG23 VAL A 109 -11.310 14.097 -2.188 1.00 0.00 H new ATOM 1617 N ILE A 110 -14.009 16.421 -5.902 1.00 0.00 N ATOM 1618 CA ILE A 110 -14.643 17.577 -6.524 1.00 0.00 C ATOM 1619 C ILE A 110 -16.155 17.399 -6.604 1.00 0.00 C ATOM 1620 O ILE A 110 -16.671 16.297 -6.425 1.00 0.00 O ATOM 1621 CB ILE A 110 -14.091 17.827 -7.940 1.00 0.00 C ATOM 1622 CG1 ILE A 110 -14.204 16.558 -8.787 1.00 0.00 C ATOM 1623 CG2 ILE A 110 -12.645 18.296 -7.870 1.00 0.00 C ATOM 1624 CD1 ILE A 110 -13.981 16.796 -10.264 1.00 0.00 C ATOM 0 H ILE A 110 -14.263 15.525 -6.319 1.00 0.00 H new ATOM 0 HA ILE A 110 -14.414 18.438 -5.896 1.00 0.00 H new ATOM 0 HB ILE A 110 -14.684 18.610 -8.412 1.00 0.00 H new ATOM 0 HG12 ILE A 110 -13.478 15.827 -8.431 1.00 0.00 H new ATOM 0 HG13 ILE A 110 -15.192 16.121 -8.643 1.00 0.00 H new ATOM 0 HG21 ILE A 110 -12.269 18.468 -8.879 1.00 0.00 H new ATOM 0 HG22 ILE A 110 -12.590 19.223 -7.299 1.00 0.00 H new ATOM 0 HG23 ILE A 110 -12.038 17.533 -7.382 1.00 0.00 H new ATOM 0 HD11 ILE A 110 -14.076 15.853 -10.803 1.00 0.00 H new ATOM 0 HD12 ILE A 110 -14.724 17.502 -10.635 1.00 0.00 H new ATOM 0 HD13 ILE A 110 -12.982 17.204 -10.420 1.00 0.00 H new ATOM 1636 N GLY A 111 -16.861 18.492 -6.878 1.00 0.00 N ATOM 1637 CA GLY A 111 -18.307 18.435 -6.979 1.00 0.00 C ATOM 1638 C GLY A 111 -18.856 19.410 -8.002 1.00 0.00 C ATOM 1639 O GLY A 111 -18.126 20.225 -8.568 1.00 0.00 O ATOM 0 H GLY A 111 -16.457 19.416 -7.032 1.00 0.00 H new ATOM 0 HA2 GLY A 111 -18.610 17.423 -7.247 1.00 0.00 H new ATOM 0 HA3 GLY A 111 -18.745 18.651 -6.004 1.00 0.00 H new ATOM 1643 N PRO A 112 -20.171 19.332 -8.254 1.00 0.00 N ATOM 1644 CA PRO A 112 -20.845 20.206 -9.218 1.00 0.00 C ATOM 1645 C PRO A 112 -20.924 21.650 -8.735 1.00 0.00 C ATOM 1646 O PRO A 112 -20.134 22.498 -9.150 1.00 0.00 O ATOM 1647 CB PRO A 112 -22.247 19.601 -9.325 1.00 0.00 C ATOM 1648 CG PRO A 112 -22.454 18.892 -8.031 1.00 0.00 C ATOM 1649 CD PRO A 112 -21.101 18.384 -7.617 1.00 0.00 C ATOM 0 HA PRO A 112 -20.312 20.253 -10.168 1.00 0.00 H new ATOM 0 HB2 PRO A 112 -23.001 20.373 -9.478 1.00 0.00 H new ATOM 0 HB3 PRO A 112 -22.318 18.914 -10.168 1.00 0.00 H new ATOM 0 HG2 PRO A 112 -22.865 19.565 -7.279 1.00 0.00 H new ATOM 0 HG3 PRO A 112 -23.161 18.071 -8.145 1.00 0.00 H new ATOM 0 HD2 PRO A 112 -20.989 18.378 -6.533 1.00 0.00 H new ATOM 0 HD3 PRO A 112 -20.933 17.363 -7.961 1.00 0.00 H new TER 1657 PRO A 112