USER MOD reduce.3.24.130724 H: found=0, std=0, add=752, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 751 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 74 ASN : amide:sc= -3.38! C(o=-5.3!,f=-12!) USER MOD Set 1.2: A 96 GLN :FLIP amide:sc= -1.96 F(o=-8!,f=-5.3) USER MOD Set 2.1: A 46 THR OG1 : rot 150:sc= -1.29! USER MOD Set 2.2: A 69 GLN : amide:sc= -7.39 K(o=-20,f=-30!) USER MOD Set 2.3: A 71 MET CE :methyl -135:sc= -11.7! (180deg=-19.5!) USER MOD Set 3.1: A 61 SER OG : rot 90:sc= -1.4 USER MOD Set 3.2: A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 4.1: A 51 ASN : amide:sc= 0.42 X(o=0.67,f=0.73) USER MOD Set 4.2: B -1 TYR OH : rot 86:sc= 0.251 USER MOD Single : A 19 LYS NZ :NH3+ 165:sc=-0.000796 (180deg=-0.114) USER MOD Single : A 25 LYS NZ :NH3+ -106:sc= 0.273 (180deg=0) USER MOD Single : A 26 GLN : amide:sc= 0 X(o=0,f=-0.11) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 SER OG : rot -90:sc= 1.05 USER MOD Single : A 42 SER OG : rot 90:sc= -0.12! USER MOD Single : A 52 MET CE :methyl -114:sc= -3.58! (180deg=-4.15!) USER MOD Single : A 53 MET CE :methyl -142:sc= -6.41! (180deg=-10.9!) USER MOD Single : A 54 HIS : no HE2:sc= 0.473 K(o=0.47,f=-3.2!) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 ASN : amide:sc= -0.0684 X(o=-0.068,f=0) USER MOD Single : A 72 SER OG : rot -125:sc= -1.18 USER MOD Single : A 76 THR OG1 : rot 180:sc= 0.00455 USER MOD Single : A 77 SER OG : rot 180:sc= 0.0624 USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 85 THR OG1 : rot 180:sc= -0.71 USER MOD Single : A 86 CYS SG : rot 64:sc= -1.12 USER MOD Single : A 87 GLN : amide:sc= -2.06! C(o=-2.1!,f=-1.6!) USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0449) USER MOD Single : A 95 ASN : amide:sc= 0 K(o=0,f=-0.96) USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD Single : A 100 LYS NZ :NH3+ 156:sc= 0 (180deg=-0.56) USER MOD Single : A 102 ASN :FLIP amide:sc= -0.214 F(o=-1.6,f=-0.21) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 17 -15.484 -9.308 -8.882 1.00 0.00 N ATOM 2 CA GLU A 17 -14.757 -8.726 -10.006 1.00 0.00 C ATOM 3 C GLU A 17 -13.827 -7.607 -9.542 1.00 0.00 C ATOM 4 O GLU A 17 -14.261 -6.654 -8.894 1.00 0.00 O ATOM 5 CB GLU A 17 -15.737 -8.188 -11.049 1.00 0.00 C ATOM 6 CG GLU A 17 -15.102 -7.933 -12.406 1.00 0.00 C ATOM 7 CD GLU A 17 -15.688 -6.723 -13.106 1.00 0.00 C ATOM 8 OE1 GLU A 17 -15.963 -5.716 -12.420 1.00 0.00 O ATOM 9 OE2 GLU A 17 -15.872 -6.781 -14.340 1.00 0.00 O ATOM 0 HA GLU A 17 -14.150 -9.512 -10.455 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -16.555 -8.899 -11.168 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -16.173 -7.259 -10.681 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -14.029 -7.791 -12.280 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -15.235 -8.812 -13.036 1.00 0.00 H new ATOM 16 N PHE A 18 -12.548 -7.728 -9.885 1.00 0.00 N ATOM 17 CA PHE A 18 -11.555 -6.725 -9.511 1.00 0.00 C ATOM 18 C PHE A 18 -11.846 -5.396 -10.193 1.00 0.00 C ATOM 19 O PHE A 18 -12.468 -5.358 -11.255 1.00 0.00 O ATOM 20 CB PHE A 18 -10.152 -7.199 -9.890 1.00 0.00 C ATOM 21 CG PHE A 18 -9.442 -7.923 -8.784 1.00 0.00 C ATOM 22 CD1 PHE A 18 -9.728 -9.250 -8.518 1.00 0.00 C ATOM 23 CD2 PHE A 18 -8.488 -7.277 -8.013 1.00 0.00 C ATOM 24 CE1 PHE A 18 -9.076 -9.923 -7.506 1.00 0.00 C ATOM 25 CE2 PHE A 18 -7.831 -7.946 -6.998 1.00 0.00 C ATOM 26 CZ PHE A 18 -8.126 -9.272 -6.744 1.00 0.00 C ATOM 0 H PHE A 18 -12.174 -8.511 -10.422 1.00 0.00 H new ATOM 0 HA PHE A 18 -11.608 -6.585 -8.431 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -10.222 -7.856 -10.757 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -9.556 -6.338 -10.190 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -10.470 -9.765 -9.110 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -8.256 -6.240 -8.208 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -9.308 -10.959 -7.309 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -7.088 -7.434 -6.404 1.00 0.00 H new ATOM 0 HZ PHE A 18 -7.615 -9.798 -5.951 1.00 0.00 H new ATOM 36 N LYS A 19 -11.392 -4.306 -9.586 1.00 0.00 N ATOM 37 CA LYS A 19 -11.609 -2.985 -10.153 1.00 0.00 C ATOM 38 C LYS A 19 -10.628 -1.961 -9.591 1.00 0.00 C ATOM 39 O LYS A 19 -10.530 -1.771 -8.377 1.00 0.00 O ATOM 40 CB LYS A 19 -13.045 -2.526 -9.893 1.00 0.00 C ATOM 41 CG LYS A 19 -13.456 -2.614 -8.432 1.00 0.00 C ATOM 42 CD LYS A 19 -13.947 -1.273 -7.906 1.00 0.00 C ATOM 43 CE LYS A 19 -15.237 -0.845 -8.588 1.00 0.00 C ATOM 44 NZ LYS A 19 -16.409 -1.620 -8.097 1.00 0.00 N ATOM 0 H LYS A 19 -10.875 -4.312 -8.707 1.00 0.00 H new ATOM 0 HA LYS A 19 -11.440 -3.058 -11.227 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -13.155 -1.496 -10.232 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -13.725 -3.133 -10.491 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -14.243 -3.360 -8.319 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -12.609 -2.952 -7.835 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -14.108 -1.340 -6.830 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -13.180 -0.515 -8.067 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -15.405 0.218 -8.412 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -15.139 -0.978 -9.665 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -17.287 -1.142 -8.385 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -16.387 -2.577 -8.503 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -16.373 -1.683 -7.060 1.00 0.00 H new ATOM 58 N ASP A 20 -9.919 -1.294 -10.496 1.00 0.00 N ATOM 59 CA ASP A 20 -8.952 -0.269 -10.122 1.00 0.00 C ATOM 60 C ASP A 20 -9.669 1.008 -9.694 1.00 0.00 C ATOM 61 O ASP A 20 -10.148 1.774 -10.528 1.00 0.00 O ATOM 62 CB ASP A 20 -8.009 0.025 -11.292 1.00 0.00 C ATOM 63 CG ASP A 20 -6.549 -0.032 -10.886 1.00 0.00 C ATOM 64 OD1 ASP A 20 -6.200 0.554 -9.841 1.00 0.00 O ATOM 65 OD2 ASP A 20 -5.755 -0.663 -11.615 1.00 0.00 O ATOM 0 H ASP A 20 -9.998 -1.447 -11.501 1.00 0.00 H new ATOM 0 HA ASP A 20 -8.365 -0.639 -9.282 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -8.190 -0.695 -12.090 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -8.233 1.012 -11.696 1.00 0.00 H new ATOM 70 N VAL A 21 -9.745 1.219 -8.387 1.00 0.00 N ATOM 71 CA VAL A 21 -10.409 2.391 -7.836 1.00 0.00 C ATOM 72 C VAL A 21 -9.478 3.598 -7.818 1.00 0.00 C ATOM 73 O VAL A 21 -8.294 3.479 -7.500 1.00 0.00 O ATOM 74 CB VAL A 21 -10.917 2.125 -6.405 1.00 0.00 C ATOM 75 CG1 VAL A 21 -11.820 3.257 -5.940 1.00 0.00 C ATOM 76 CG2 VAL A 21 -11.643 0.788 -6.330 1.00 0.00 C ATOM 0 H VAL A 21 -9.353 0.590 -7.686 1.00 0.00 H new ATOM 0 HA VAL A 21 -11.259 2.606 -8.483 1.00 0.00 H new ATOM 0 HB VAL A 21 -10.056 2.080 -5.739 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -12.169 3.052 -4.928 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -11.263 4.194 -5.949 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -12.676 3.338 -6.610 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -11.993 0.621 -5.311 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -12.495 0.798 -7.009 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -10.961 -0.013 -6.615 1.00 0.00 H new ATOM 86 N PHE A 22 -10.024 4.757 -8.160 1.00 0.00 N ATOM 87 CA PHE A 22 -9.256 5.994 -8.185 1.00 0.00 C ATOM 88 C PHE A 22 -10.006 7.103 -7.459 1.00 0.00 C ATOM 89 O PHE A 22 -10.979 7.652 -7.980 1.00 0.00 O ATOM 90 CB PHE A 22 -8.973 6.409 -9.630 1.00 0.00 C ATOM 91 CG PHE A 22 -7.568 6.893 -9.855 1.00 0.00 C ATOM 92 CD1 PHE A 22 -6.496 6.256 -9.254 1.00 0.00 C ATOM 93 CD2 PHE A 22 -7.323 7.988 -10.668 1.00 0.00 C ATOM 94 CE1 PHE A 22 -5.207 6.699 -9.460 1.00 0.00 C ATOM 95 CE2 PHE A 22 -6.032 8.435 -10.877 1.00 0.00 C ATOM 96 CZ PHE A 22 -4.973 7.788 -10.271 1.00 0.00 C ATOM 0 H PHE A 22 -11.003 4.866 -8.426 1.00 0.00 H new ATOM 0 HA PHE A 22 -8.309 5.824 -7.674 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -9.165 5.561 -10.287 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -9.670 7.197 -9.915 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -6.672 5.402 -8.616 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -8.149 8.497 -11.143 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -4.380 6.192 -8.985 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -5.852 9.289 -11.513 1.00 0.00 H new ATOM 0 HZ PHE A 22 -3.963 8.135 -10.433 1.00 0.00 H new ATOM 106 N ILE A 23 -9.553 7.426 -6.254 1.00 0.00 N ATOM 107 CA ILE A 23 -10.187 8.467 -5.457 1.00 0.00 C ATOM 108 C ILE A 23 -9.373 9.753 -5.481 1.00 0.00 C ATOM 109 O ILE A 23 -8.392 9.895 -4.752 1.00 0.00 O ATOM 110 CB ILE A 23 -10.377 8.016 -3.997 1.00 0.00 C ATOM 111 CG1 ILE A 23 -11.027 6.629 -3.957 1.00 0.00 C ATOM 112 CG2 ILE A 23 -11.210 9.032 -3.227 1.00 0.00 C ATOM 113 CD1 ILE A 23 -12.497 6.634 -4.319 1.00 0.00 C ATOM 0 H ILE A 23 -8.750 6.982 -5.808 1.00 0.00 H new ATOM 0 HA ILE A 23 -11.164 8.655 -5.902 1.00 0.00 H new ATOM 0 HB ILE A 23 -9.400 7.953 -3.517 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -10.496 5.969 -4.642 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -10.910 6.211 -2.957 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -11.333 8.696 -2.197 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -10.705 9.998 -3.235 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -12.189 9.130 -3.696 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -12.888 5.618 -4.269 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -13.042 7.267 -3.619 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -12.621 7.021 -5.330 1.00 0.00 H new ATOM 125 N GLU A 24 -9.796 10.690 -6.321 1.00 0.00 N ATOM 126 CA GLU A 24 -9.117 11.974 -6.440 1.00 0.00 C ATOM 127 C GLU A 24 -9.663 12.959 -5.412 1.00 0.00 C ATOM 128 O GLU A 24 -10.803 13.408 -5.513 1.00 0.00 O ATOM 129 CB GLU A 24 -9.291 12.540 -7.851 1.00 0.00 C ATOM 130 CG GLU A 24 -8.953 11.546 -8.949 1.00 0.00 C ATOM 131 CD GLU A 24 -10.037 11.452 -10.007 1.00 0.00 C ATOM 132 OE1 GLU A 24 -10.710 12.473 -10.258 1.00 0.00 O ATOM 133 OE2 GLU A 24 -10.213 10.357 -10.581 1.00 0.00 O ATOM 0 H GLU A 24 -10.607 10.584 -6.930 1.00 0.00 H new ATOM 0 HA GLU A 24 -8.054 11.821 -6.252 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -10.322 12.871 -7.976 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -8.658 13.420 -7.961 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -8.015 11.837 -9.421 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -8.796 10.562 -8.507 1.00 0.00 H new ATOM 140 N LYS A 25 -8.844 13.283 -4.417 1.00 0.00 N ATOM 141 CA LYS A 25 -9.254 14.207 -3.365 1.00 0.00 C ATOM 142 C LYS A 25 -8.092 15.092 -2.931 1.00 0.00 C ATOM 143 O LYS A 25 -7.012 15.050 -3.518 1.00 0.00 O ATOM 144 CB LYS A 25 -9.796 13.428 -2.163 1.00 0.00 C ATOM 145 CG LYS A 25 -9.015 12.158 -1.856 1.00 0.00 C ATOM 146 CD LYS A 25 -8.565 12.113 -0.404 1.00 0.00 C ATOM 147 CE LYS A 25 -7.234 11.392 -0.257 1.00 0.00 C ATOM 148 NZ LYS A 25 -6.428 11.937 0.870 1.00 0.00 N ATOM 0 H LYS A 25 -7.896 12.921 -4.317 1.00 0.00 H new ATOM 0 HA LYS A 25 -10.041 14.847 -3.763 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -9.781 14.074 -1.285 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -10.838 13.167 -2.350 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -9.635 11.288 -2.072 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -8.144 12.099 -2.509 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -8.475 13.128 -0.018 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -9.322 11.609 0.197 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -7.413 10.329 -0.094 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -6.668 11.482 -1.184 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -5.644 12.506 0.492 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -7.031 12.534 1.471 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -6.046 11.152 1.435 1.00 0.00 H new ATOM 162 N GLN A 26 -8.321 15.894 -1.895 1.00 0.00 N ATOM 163 CA GLN A 26 -7.296 16.788 -1.379 1.00 0.00 C ATOM 164 C GLN A 26 -6.769 16.284 -0.042 1.00 0.00 C ATOM 165 O GLN A 26 -7.256 15.287 0.493 1.00 0.00 O ATOM 166 CB GLN A 26 -7.854 18.205 -1.220 1.00 0.00 C ATOM 167 CG GLN A 26 -8.715 18.655 -2.389 1.00 0.00 C ATOM 168 CD GLN A 26 -7.918 18.833 -3.666 1.00 0.00 C ATOM 169 OE1 GLN A 26 -6.874 19.486 -3.676 1.00 0.00 O ATOM 170 NE2 GLN A 26 -8.408 18.250 -4.754 1.00 0.00 N ATOM 0 H GLN A 26 -9.210 15.941 -1.397 1.00 0.00 H new ATOM 0 HA GLN A 26 -6.473 16.811 -2.093 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -8.444 18.253 -0.305 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -7.024 18.902 -1.101 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -9.504 17.922 -2.557 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -9.202 19.596 -2.135 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -9.277 17.718 -4.700 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -7.916 18.334 -5.643 1.00 0.00 H new ATOM 179 N LYS A 27 -5.773 16.977 0.497 1.00 0.00 N ATOM 180 CA LYS A 27 -5.185 16.596 1.775 1.00 0.00 C ATOM 181 C LYS A 27 -6.166 16.837 2.911 1.00 0.00 C ATOM 182 O LYS A 27 -7.072 17.663 2.801 1.00 0.00 O ATOM 183 CB LYS A 27 -3.894 17.380 2.026 1.00 0.00 C ATOM 184 CG LYS A 27 -3.060 17.599 0.775 1.00 0.00 C ATOM 185 CD LYS A 27 -1.573 17.526 1.075 1.00 0.00 C ATOM 186 CE LYS A 27 -0.830 16.726 0.017 1.00 0.00 C ATOM 187 NZ LYS A 27 -0.127 17.608 -0.955 1.00 0.00 N ATOM 0 H LYS A 27 -5.356 17.804 0.070 1.00 0.00 H new ATOM 0 HA LYS A 27 -4.950 15.532 1.736 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -4.146 18.348 2.458 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -3.294 16.848 2.764 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -3.319 16.848 0.029 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -3.298 18.572 0.344 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -1.161 18.534 1.126 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -1.420 17.069 2.053 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -0.107 16.069 0.500 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -1.534 16.087 -0.516 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 0.367 17.024 -1.659 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -0.820 18.217 -1.435 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 0.563 18.200 -0.450 1.00 0.00 H new ATOM 201 N GLY A 28 -5.982 16.106 4.001 1.00 0.00 N ATOM 202 CA GLY A 28 -6.862 16.252 5.143 1.00 0.00 C ATOM 203 C GLY A 28 -8.269 15.758 4.859 1.00 0.00 C ATOM 204 O GLY A 28 -9.194 16.033 5.623 1.00 0.00 O ATOM 0 H GLY A 28 -5.240 15.415 4.115 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -6.450 15.700 5.988 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -6.901 17.301 5.436 1.00 0.00 H new ATOM 208 N GLU A 29 -8.432 15.019 3.762 1.00 0.00 N ATOM 209 CA GLU A 29 -9.731 14.481 3.394 1.00 0.00 C ATOM 210 C GLU A 29 -9.640 12.976 3.205 1.00 0.00 C ATOM 211 O GLU A 29 -10.364 12.396 2.398 1.00 0.00 O ATOM 212 CB GLU A 29 -10.252 15.147 2.120 1.00 0.00 C ATOM 213 CG GLU A 29 -10.213 16.667 2.170 1.00 0.00 C ATOM 214 CD GLU A 29 -11.387 17.304 1.454 1.00 0.00 C ATOM 215 OE1 GLU A 29 -11.440 17.221 0.210 1.00 0.00 O ATOM 216 OE2 GLU A 29 -12.255 17.885 2.139 1.00 0.00 O ATOM 0 H GLU A 29 -7.679 14.782 3.117 1.00 0.00 H new ATOM 0 HA GLU A 29 -10.433 14.693 4.201 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -9.659 14.804 1.272 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -11.278 14.823 1.944 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -10.207 16.993 3.210 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -9.284 17.018 1.720 1.00 0.00 H new ATOM 223 N ILE A 30 -8.735 12.370 3.973 1.00 0.00 N ATOM 224 CA ILE A 30 -8.489 10.922 3.957 1.00 0.00 C ATOM 225 C ILE A 30 -9.198 10.201 2.810 1.00 0.00 C ATOM 226 O ILE A 30 -8.585 9.855 1.801 1.00 0.00 O ATOM 227 CB ILE A 30 -8.906 10.266 5.290 1.00 0.00 C ATOM 228 CG1 ILE A 30 -10.041 11.046 5.953 1.00 0.00 C ATOM 229 CG2 ILE A 30 -7.718 10.166 6.232 1.00 0.00 C ATOM 230 CD1 ILE A 30 -11.082 10.151 6.577 1.00 0.00 C ATOM 0 H ILE A 30 -8.143 12.874 4.633 1.00 0.00 H new ATOM 0 HA ILE A 30 -7.414 10.816 3.808 1.00 0.00 H new ATOM 0 HB ILE A 30 -9.264 9.260 5.070 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -9.626 11.701 6.719 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -10.517 11.686 5.210 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -8.033 9.701 7.166 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -6.937 9.561 5.770 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -7.331 11.164 6.436 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -11.862 10.762 7.032 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -11.522 9.514 5.809 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -10.616 9.529 7.342 1.00 0.00 H new ATOM 242 N LEU A 31 -10.492 9.978 2.988 1.00 0.00 N ATOM 243 CA LEU A 31 -11.316 9.296 1.994 1.00 0.00 C ATOM 244 C LEU A 31 -12.708 9.051 2.560 1.00 0.00 C ATOM 245 O LEU A 31 -13.717 9.262 1.886 1.00 0.00 O ATOM 246 CB LEU A 31 -10.681 7.962 1.583 1.00 0.00 C ATOM 247 CG LEU A 31 -10.681 7.681 0.078 1.00 0.00 C ATOM 248 CD1 LEU A 31 -9.344 8.062 -0.535 1.00 0.00 C ATOM 249 CD2 LEU A 31 -10.998 6.217 -0.191 1.00 0.00 C ATOM 0 H LEU A 31 -11.002 10.263 3.824 1.00 0.00 H new ATOM 0 HA LEU A 31 -11.388 9.931 1.111 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -9.652 7.941 1.941 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -11.210 7.154 2.088 1.00 0.00 H new ATOM 0 HG LEU A 31 -11.456 8.290 -0.387 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -9.362 7.855 -1.605 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -9.159 9.124 -0.374 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -8.550 7.480 -0.067 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -10.994 6.035 -1.266 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -10.246 5.588 0.286 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -11.981 5.977 0.214 1.00 0.00 H new ATOM 261 N GLY A 32 -12.748 8.619 3.816 1.00 0.00 N ATOM 262 CA GLY A 32 -14.012 8.364 4.480 1.00 0.00 C ATOM 263 C GLY A 32 -14.544 6.959 4.259 1.00 0.00 C ATOM 264 O GLY A 32 -15.640 6.787 3.728 1.00 0.00 O ATOM 0 H GLY A 32 -11.923 8.440 4.388 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -13.891 8.533 5.550 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -14.750 9.083 4.125 1.00 0.00 H new ATOM 268 N VAL A 33 -13.783 5.953 4.682 1.00 0.00 N ATOM 269 CA VAL A 33 -14.219 4.564 4.536 1.00 0.00 C ATOM 270 C VAL A 33 -13.759 3.710 5.715 1.00 0.00 C ATOM 271 O VAL A 33 -12.774 4.030 6.382 1.00 0.00 O ATOM 272 CB VAL A 33 -13.745 3.924 3.202 1.00 0.00 C ATOM 273 CG1 VAL A 33 -13.550 4.988 2.133 1.00 0.00 C ATOM 274 CG2 VAL A 33 -12.469 3.107 3.380 1.00 0.00 C ATOM 0 H VAL A 33 -12.871 6.069 5.124 1.00 0.00 H new ATOM 0 HA VAL A 33 -15.309 4.590 4.520 1.00 0.00 H new ATOM 0 HB VAL A 33 -14.529 3.239 2.878 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -13.218 4.517 1.208 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -14.493 5.506 1.959 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -12.799 5.704 2.465 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -12.175 2.678 2.422 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -11.672 3.753 3.749 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -12.647 2.305 4.097 1.00 0.00 H new ATOM 284 N VAL A 34 -14.475 2.622 5.958 1.00 0.00 N ATOM 285 CA VAL A 34 -14.140 1.712 7.046 1.00 0.00 C ATOM 286 C VAL A 34 -13.934 0.298 6.522 1.00 0.00 C ATOM 287 O VAL A 34 -14.764 -0.233 5.786 1.00 0.00 O ATOM 288 CB VAL A 34 -15.229 1.706 8.137 1.00 0.00 C ATOM 289 CG1 VAL A 34 -14.887 0.709 9.238 1.00 0.00 C ATOM 290 CG2 VAL A 34 -15.410 3.102 8.712 1.00 0.00 C ATOM 0 H VAL A 34 -15.294 2.347 5.416 1.00 0.00 H new ATOM 0 HA VAL A 34 -13.211 2.070 7.490 1.00 0.00 H new ATOM 0 HB VAL A 34 -16.170 1.396 7.682 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -15.669 0.722 9.997 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -14.811 -0.292 8.812 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -13.935 0.982 9.694 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -16.182 3.081 9.481 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -14.471 3.440 9.150 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -15.707 3.787 7.918 1.00 0.00 H new ATOM 300 N ILE A 35 -12.811 -0.299 6.900 1.00 0.00 N ATOM 301 CA ILE A 35 -12.474 -1.643 6.468 1.00 0.00 C ATOM 302 C ILE A 35 -12.365 -2.598 7.650 1.00 0.00 C ATOM 303 O ILE A 35 -12.070 -2.185 8.772 1.00 0.00 O ATOM 304 CB ILE A 35 -11.152 -1.663 5.689 1.00 0.00 C ATOM 305 CG1 ILE A 35 -10.150 -0.685 6.299 1.00 0.00 C ATOM 306 CG2 ILE A 35 -11.391 -1.339 4.223 1.00 0.00 C ATOM 307 CD1 ILE A 35 -8.722 -1.153 6.170 1.00 0.00 C ATOM 0 H ILE A 35 -12.116 0.133 7.509 1.00 0.00 H new ATOM 0 HA ILE A 35 -13.282 -1.973 5.815 1.00 0.00 H new ATOM 0 HB ILE A 35 -10.732 -2.667 5.755 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -10.255 0.285 5.813 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -10.386 -0.541 7.353 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -10.442 -1.358 3.687 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -12.066 -2.079 3.792 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -11.836 -0.348 4.137 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -8.056 -0.418 6.621 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -8.605 -2.109 6.680 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -8.472 -1.271 5.116 1.00 0.00 H new ATOM 319 N VAL A 36 -12.605 -3.877 7.387 1.00 0.00 N ATOM 320 CA VAL A 36 -12.533 -4.902 8.422 1.00 0.00 C ATOM 321 C VAL A 36 -11.928 -6.189 7.870 1.00 0.00 C ATOM 322 O VAL A 36 -11.746 -6.331 6.661 1.00 0.00 O ATOM 323 CB VAL A 36 -13.923 -5.208 9.009 1.00 0.00 C ATOM 324 CG1 VAL A 36 -14.473 -3.995 9.742 1.00 0.00 C ATOM 325 CG2 VAL A 36 -14.878 -5.658 7.914 1.00 0.00 C ATOM 0 H VAL A 36 -12.852 -4.230 6.463 1.00 0.00 H new ATOM 0 HA VAL A 36 -11.895 -4.512 9.215 1.00 0.00 H new ATOM 0 HB VAL A 36 -13.822 -6.021 9.728 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -15.456 -4.231 10.150 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -13.799 -3.724 10.554 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -14.559 -3.159 9.048 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -15.855 -5.870 8.348 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -14.975 -4.868 7.169 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -14.489 -6.559 7.439 1.00 0.00 H new ATOM 335 N GLU A 37 -11.616 -7.124 8.762 1.00 0.00 N ATOM 336 CA GLU A 37 -11.031 -8.398 8.358 1.00 0.00 C ATOM 337 C GLU A 37 -11.980 -9.171 7.448 1.00 0.00 C ATOM 338 O GLU A 37 -13.150 -9.363 7.773 1.00 0.00 O ATOM 339 CB GLU A 37 -10.683 -9.237 9.589 1.00 0.00 C ATOM 340 CG GLU A 37 -9.250 -9.050 10.061 1.00 0.00 C ATOM 341 CD GLU A 37 -9.084 -9.329 11.543 1.00 0.00 C ATOM 342 OE1 GLU A 37 -9.835 -8.737 12.346 1.00 0.00 O ATOM 343 OE2 GLU A 37 -8.203 -10.138 11.900 1.00 0.00 O ATOM 0 H GLU A 37 -11.758 -7.024 9.767 1.00 0.00 H new ATOM 0 HA GLU A 37 -10.117 -8.189 7.801 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -11.362 -8.977 10.401 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -10.848 -10.290 9.361 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -8.595 -9.712 9.495 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -8.932 -8.029 9.849 1.00 0.00 H new ATOM 350 N SER A 38 -11.461 -9.607 6.304 1.00 0.00 N ATOM 351 CA SER A 38 -12.255 -10.353 5.336 1.00 0.00 C ATOM 352 C SER A 38 -12.631 -11.733 5.866 1.00 0.00 C ATOM 353 O SER A 38 -11.956 -12.723 5.583 1.00 0.00 O ATOM 354 CB SER A 38 -11.488 -10.491 4.023 1.00 0.00 C ATOM 355 OG SER A 38 -10.282 -11.214 4.207 1.00 0.00 O ATOM 0 H SER A 38 -10.492 -9.456 6.025 1.00 0.00 H new ATOM 0 HA SER A 38 -13.176 -9.797 5.161 1.00 0.00 H new ATOM 0 HB2 SER A 38 -12.111 -10.999 3.287 1.00 0.00 H new ATOM 0 HB3 SER A 38 -11.265 -9.502 3.624 1.00 0.00 H new ATOM 0 HG SER A 38 -9.559 -10.592 4.432 1.00 0.00 H new ATOM 361 N GLY A 39 -13.715 -11.792 6.630 1.00 0.00 N ATOM 362 CA GLY A 39 -14.167 -13.059 7.181 1.00 0.00 C ATOM 363 C GLY A 39 -15.047 -13.838 6.220 1.00 0.00 C ATOM 364 O GLY A 39 -15.442 -14.967 6.511 1.00 0.00 O ATOM 0 H GLY A 39 -14.290 -10.987 6.879 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -13.300 -13.665 7.445 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -14.719 -12.873 8.102 1.00 0.00 H new ATOM 368 N TRP A 40 -15.341 -13.239 5.070 1.00 0.00 N ATOM 369 CA TRP A 40 -16.162 -13.882 4.049 1.00 0.00 C ATOM 370 C TRP A 40 -15.565 -15.234 3.657 1.00 0.00 C ATOM 371 O TRP A 40 -14.694 -15.760 4.351 1.00 0.00 O ATOM 372 CB TRP A 40 -16.243 -12.974 2.821 1.00 0.00 C ATOM 373 CG TRP A 40 -14.911 -12.755 2.171 1.00 0.00 C ATOM 374 CD1 TRP A 40 -13.681 -12.859 2.760 1.00 0.00 C ATOM 375 CD2 TRP A 40 -14.669 -12.395 0.808 1.00 0.00 C ATOM 376 NE1 TRP A 40 -12.695 -12.594 1.844 1.00 0.00 N ATOM 377 CE2 TRP A 40 -13.275 -12.305 0.640 1.00 0.00 C ATOM 378 CE3 TRP A 40 -15.496 -12.143 -0.288 1.00 0.00 C ATOM 379 CZ2 TRP A 40 -12.689 -11.975 -0.574 1.00 0.00 C ATOM 380 CZ3 TRP A 40 -14.914 -11.812 -1.499 1.00 0.00 C ATOM 381 CH2 TRP A 40 -13.522 -11.731 -1.634 1.00 0.00 C ATOM 0 H TRP A 40 -15.021 -12.303 4.821 1.00 0.00 H new ATOM 0 HA TRP A 40 -17.162 -14.049 4.449 1.00 0.00 H new ATOM 0 HB2 TRP A 40 -16.928 -13.412 2.096 1.00 0.00 H new ATOM 0 HB3 TRP A 40 -16.662 -12.011 3.114 1.00 0.00 H new ATOM 0 HD1 TRP A 40 -13.511 -13.113 3.796 1.00 0.00 H new ATOM 0 HE1 TRP A 40 -11.692 -12.610 2.031 1.00 0.00 H new ATOM 0 HE3 TRP A 40 -16.570 -12.205 -0.193 1.00 0.00 H new ATOM 0 HZ2 TRP A 40 -11.616 -11.913 -0.679 1.00 0.00 H new ATOM 0 HZ3 TRP A 40 -15.543 -11.613 -2.354 1.00 0.00 H new ATOM 0 HH2 TRP A 40 -13.097 -11.471 -2.592 1.00 0.00 H new ATOM 392 N GLY A 41 -16.013 -15.786 2.530 1.00 0.00 N ATOM 393 CA GLY A 41 -15.480 -17.058 2.072 1.00 0.00 C ATOM 394 C GLY A 41 -13.961 -17.060 2.058 1.00 0.00 C ATOM 395 O GLY A 41 -13.327 -18.113 2.143 1.00 0.00 O ATOM 0 H GLY A 41 -16.730 -15.378 1.930 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -15.839 -17.857 2.721 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -15.853 -17.269 1.070 1.00 0.00 H new ATOM 399 N SER A 42 -13.383 -15.864 1.955 1.00 0.00 N ATOM 400 CA SER A 42 -11.935 -15.679 1.935 1.00 0.00 C ATOM 401 C SER A 42 -11.371 -15.917 0.554 1.00 0.00 C ATOM 402 O SER A 42 -10.277 -16.458 0.394 1.00 0.00 O ATOM 403 CB SER A 42 -11.234 -16.573 2.956 1.00 0.00 C ATOM 404 OG SER A 42 -12.107 -16.938 4.010 1.00 0.00 O ATOM 0 H SER A 42 -13.909 -14.993 1.883 1.00 0.00 H new ATOM 0 HA SER A 42 -11.745 -14.642 2.212 1.00 0.00 H new ATOM 0 HB2 SER A 42 -10.863 -17.471 2.462 1.00 0.00 H new ATOM 0 HB3 SER A 42 -10.367 -16.052 3.363 1.00 0.00 H new ATOM 0 HG SER A 42 -12.576 -17.766 3.775 1.00 0.00 H new ATOM 410 N ILE A 43 -12.112 -15.467 -0.439 1.00 0.00 N ATOM 411 CA ILE A 43 -11.688 -15.579 -1.812 1.00 0.00 C ATOM 412 C ILE A 43 -10.302 -14.961 -1.977 1.00 0.00 C ATOM 413 O ILE A 43 -9.473 -15.440 -2.750 1.00 0.00 O ATOM 414 CB ILE A 43 -12.681 -14.863 -2.717 1.00 0.00 C ATOM 415 CG1 ILE A 43 -14.066 -15.480 -2.555 1.00 0.00 C ATOM 416 CG2 ILE A 43 -12.225 -14.924 -4.153 1.00 0.00 C ATOM 417 CD1 ILE A 43 -15.173 -14.612 -3.094 1.00 0.00 C ATOM 0 H ILE A 43 -13.019 -15.017 -0.314 1.00 0.00 H new ATOM 0 HA ILE A 43 -11.645 -16.633 -2.088 1.00 0.00 H new ATOM 0 HB ILE A 43 -12.734 -13.813 -2.428 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -14.089 -16.443 -3.064 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -14.248 -15.674 -1.498 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -12.946 -14.407 -4.786 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -11.251 -14.444 -4.246 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -12.148 -15.965 -4.466 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -16.131 -15.111 -2.947 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -15.176 -13.658 -2.568 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -15.014 -14.439 -4.158 1.00 0.00 H new ATOM 429 N LEU A 44 -10.074 -13.899 -1.215 1.00 0.00 N ATOM 430 CA LEU A 44 -8.809 -13.179 -1.211 1.00 0.00 C ATOM 431 C LEU A 44 -8.607 -12.528 0.156 1.00 0.00 C ATOM 432 O LEU A 44 -9.254 -11.531 0.471 1.00 0.00 O ATOM 433 CB LEU A 44 -8.792 -12.108 -2.306 1.00 0.00 C ATOM 434 CG LEU A 44 -9.004 -12.617 -3.733 1.00 0.00 C ATOM 435 CD1 LEU A 44 -8.987 -11.460 -4.717 1.00 0.00 C ATOM 436 CD2 LEU A 44 -7.941 -13.643 -4.103 1.00 0.00 C ATOM 0 H LEU A 44 -10.769 -13.510 -0.577 1.00 0.00 H new ATOM 0 HA LEU A 44 -8.000 -13.882 -1.409 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -9.566 -11.374 -2.083 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -7.836 -11.586 -2.264 1.00 0.00 H new ATOM 0 HG LEU A 44 -9.979 -13.101 -3.781 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -9.139 -11.839 -5.727 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -9.784 -10.759 -4.469 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -8.025 -10.950 -4.662 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -8.111 -13.992 -5.122 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -6.954 -13.185 -4.036 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -7.996 -14.488 -3.416 1.00 0.00 H new ATOM 448 N PRO A 45 -7.727 -13.095 1.002 1.00 0.00 N ATOM 449 CA PRO A 45 -7.474 -12.567 2.348 1.00 0.00 C ATOM 450 C PRO A 45 -7.139 -11.078 2.355 1.00 0.00 C ATOM 451 O PRO A 45 -5.971 -10.696 2.376 1.00 0.00 O ATOM 452 CB PRO A 45 -6.276 -13.385 2.831 1.00 0.00 C ATOM 453 CG PRO A 45 -6.356 -14.661 2.067 1.00 0.00 C ATOM 454 CD PRO A 45 -6.930 -14.305 0.724 1.00 0.00 C ATOM 0 HA PRO A 45 -8.357 -12.653 2.982 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -5.338 -12.865 2.637 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -6.325 -13.563 3.905 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -5.371 -15.115 1.962 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -6.988 -15.385 2.582 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -6.147 -14.111 -0.009 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -7.547 -15.110 0.325 1.00 0.00 H new ATOM 462 N THR A 46 -8.177 -10.245 2.350 1.00 0.00 N ATOM 463 CA THR A 46 -8.002 -8.793 2.364 1.00 0.00 C ATOM 464 C THR A 46 -8.939 -8.162 3.399 1.00 0.00 C ATOM 465 O THR A 46 -9.346 -8.819 4.355 1.00 0.00 O ATOM 466 CB THR A 46 -8.266 -8.199 0.967 1.00 0.00 C ATOM 467 OG1 THR A 46 -9.594 -7.713 0.864 1.00 0.00 O ATOM 468 CG2 THR A 46 -8.061 -9.176 -0.171 1.00 0.00 C ATOM 0 H THR A 46 -9.150 -10.550 2.336 1.00 0.00 H new ATOM 0 HA THR A 46 -6.971 -8.570 2.639 1.00 0.00 H new ATOM 0 HB THR A 46 -7.533 -7.398 0.871 1.00 0.00 H new ATOM 0 HG1 THR A 46 -9.619 -6.961 0.236 1.00 0.00 H new ATOM 0 HG21 THR A 46 -8.267 -8.679 -1.119 1.00 0.00 H new ATOM 0 HG22 THR A 46 -7.031 -9.531 -0.164 1.00 0.00 H new ATOM 0 HG23 THR A 46 -8.737 -10.022 -0.050 1.00 0.00 H new ATOM 476 N VAL A 47 -9.290 -6.894 3.194 1.00 0.00 N ATOM 477 CA VAL A 47 -10.193 -6.196 4.099 1.00 0.00 C ATOM 478 C VAL A 47 -11.550 -5.992 3.433 1.00 0.00 C ATOM 479 O VAL A 47 -11.689 -6.188 2.227 1.00 0.00 O ATOM 480 CB VAL A 47 -9.635 -4.830 4.539 1.00 0.00 C ATOM 481 CG1 VAL A 47 -8.747 -4.983 5.764 1.00 0.00 C ATOM 482 CG2 VAL A 47 -8.879 -4.158 3.401 1.00 0.00 C ATOM 0 H VAL A 47 -8.962 -6.332 2.409 1.00 0.00 H new ATOM 0 HA VAL A 47 -10.300 -6.819 4.987 1.00 0.00 H new ATOM 0 HB VAL A 47 -10.476 -4.190 4.806 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -8.363 -4.007 6.059 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -9.327 -5.407 6.583 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -7.914 -5.645 5.529 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -8.495 -3.195 3.738 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -8.048 -4.792 3.092 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -9.552 -4.005 2.557 1.00 0.00 H new ATOM 492 N ILE A 48 -12.551 -5.609 4.218 1.00 0.00 N ATOM 493 CA ILE A 48 -13.893 -5.399 3.679 1.00 0.00 C ATOM 494 C ILE A 48 -14.453 -4.032 4.044 1.00 0.00 C ATOM 495 O ILE A 48 -14.538 -3.684 5.222 1.00 0.00 O ATOM 496 CB ILE A 48 -14.896 -6.464 4.179 1.00 0.00 C ATOM 497 CG1 ILE A 48 -14.196 -7.570 4.969 1.00 0.00 C ATOM 498 CG2 ILE A 48 -15.662 -7.059 3.013 1.00 0.00 C ATOM 499 CD1 ILE A 48 -15.163 -8.528 5.631 1.00 0.00 C ATOM 0 H ILE A 48 -12.462 -5.439 5.220 1.00 0.00 H new ATOM 0 HA ILE A 48 -13.779 -5.475 2.598 1.00 0.00 H new ATOM 0 HB ILE A 48 -15.597 -5.967 4.849 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -13.541 -8.128 4.300 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -13.562 -7.118 5.732 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -16.364 -7.807 3.382 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -16.210 -6.270 2.497 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -14.963 -7.528 2.320 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -14.605 -9.289 6.176 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -15.801 -7.980 6.324 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -15.780 -9.006 4.870 1.00 0.00 H new ATOM 511 N ILE A 49 -14.879 -3.277 3.037 1.00 0.00 N ATOM 512 CA ILE A 49 -15.474 -1.983 3.269 1.00 0.00 C ATOM 513 C ILE A 49 -16.774 -2.172 4.021 1.00 0.00 C ATOM 514 O ILE A 49 -17.832 -2.387 3.430 1.00 0.00 O ATOM 515 CB ILE A 49 -15.729 -1.253 1.947 1.00 0.00 C ATOM 516 CG1 ILE A 49 -14.418 -1.117 1.182 1.00 0.00 C ATOM 517 CG2 ILE A 49 -16.351 0.107 2.198 1.00 0.00 C ATOM 518 CD1 ILE A 49 -14.565 -0.414 -0.143 1.00 0.00 C ATOM 0 H ILE A 49 -14.820 -3.546 2.055 1.00 0.00 H new ATOM 0 HA ILE A 49 -14.789 -1.374 3.858 1.00 0.00 H new ATOM 0 HB ILE A 49 -16.431 -1.833 1.347 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -13.703 -0.571 1.797 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -14.000 -2.110 1.013 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -16.524 0.609 1.246 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -17.300 -0.018 2.720 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -15.677 0.708 2.808 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -13.593 -0.353 -0.632 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -15.255 -0.971 -0.776 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -14.953 0.591 0.020 1.00 0.00 H new ATOM 530 N ALA A 50 -16.667 -2.132 5.333 1.00 0.00 N ATOM 531 CA ALA A 50 -17.803 -2.337 6.206 1.00 0.00 C ATOM 532 C ALA A 50 -18.545 -1.038 6.497 1.00 0.00 C ATOM 533 O ALA A 50 -19.622 -1.054 7.096 1.00 0.00 O ATOM 534 CB ALA A 50 -17.324 -2.987 7.487 1.00 0.00 C ATOM 0 H ALA A 50 -15.790 -1.956 5.824 1.00 0.00 H new ATOM 0 HA ALA A 50 -18.515 -2.992 5.703 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -18.172 -3.147 8.153 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -16.858 -3.945 7.257 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -16.597 -2.338 7.975 1.00 0.00 H new ATOM 540 N ASN A 51 -17.978 0.087 6.072 1.00 0.00 N ATOM 541 CA ASN A 51 -18.612 1.378 6.297 1.00 0.00 C ATOM 542 C ASN A 51 -17.969 2.468 5.446 1.00 0.00 C ATOM 543 O ASN A 51 -16.850 2.315 4.960 1.00 0.00 O ATOM 544 CB ASN A 51 -18.538 1.751 7.779 1.00 0.00 C ATOM 545 CG ASN A 51 -19.906 1.974 8.391 1.00 0.00 C ATOM 546 OD1 ASN A 51 -20.418 3.094 8.404 1.00 0.00 O ATOM 547 ND2 ASN A 51 -20.508 0.908 8.903 1.00 0.00 N ATOM 0 H ASN A 51 -17.089 0.130 5.574 1.00 0.00 H new ATOM 0 HA ASN A 51 -19.658 1.295 6.001 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -18.024 0.959 8.324 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -17.941 2.656 7.893 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -21.431 0.998 9.328 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -20.048 -0.002 8.871 1.00 0.00 H new ATOM 554 N MET A 52 -18.693 3.571 5.270 1.00 0.00 N ATOM 555 CA MET A 52 -18.202 4.691 4.478 1.00 0.00 C ATOM 556 C MET A 52 -18.879 5.992 4.899 1.00 0.00 C ATOM 557 O MET A 52 -20.067 6.010 5.222 1.00 0.00 O ATOM 558 CB MET A 52 -18.442 4.430 2.991 1.00 0.00 C ATOM 559 CG MET A 52 -17.295 4.879 2.099 1.00 0.00 C ATOM 560 SD MET A 52 -16.963 3.727 0.747 1.00 0.00 S ATOM 561 CE MET A 52 -18.612 3.126 0.389 1.00 0.00 C ATOM 0 H MET A 52 -19.622 3.711 5.666 1.00 0.00 H new ATOM 0 HA MET A 52 -17.131 4.790 4.653 1.00 0.00 H new ATOM 0 HB2 MET A 52 -18.611 3.364 2.841 1.00 0.00 H new ATOM 0 HB3 MET A 52 -19.353 4.944 2.683 1.00 0.00 H new ATOM 0 HG2 MET A 52 -17.526 5.860 1.685 1.00 0.00 H new ATOM 0 HG3 MET A 52 -16.395 4.992 2.703 1.00 0.00 H new ATOM 0 HE1 MET A 52 -18.674 2.066 0.635 1.00 0.00 H new ATOM 0 HE2 MET A 52 -19.338 3.680 0.984 1.00 0.00 H new ATOM 0 HE3 MET A 52 -18.828 3.266 -0.670 1.00 0.00 H new ATOM 571 N MET A 53 -18.113 7.080 4.895 1.00 0.00 N ATOM 572 CA MET A 53 -18.632 8.389 5.278 1.00 0.00 C ATOM 573 C MET A 53 -19.895 8.735 4.491 1.00 0.00 C ATOM 574 O MET A 53 -20.723 9.524 4.946 1.00 0.00 O ATOM 575 CB MET A 53 -17.569 9.467 5.056 1.00 0.00 C ATOM 576 CG MET A 53 -16.603 9.618 6.220 1.00 0.00 C ATOM 577 SD MET A 53 -15.777 11.222 6.236 1.00 0.00 S ATOM 578 CE MET A 53 -14.088 10.731 6.576 1.00 0.00 C ATOM 0 H MET A 53 -17.128 7.080 4.630 1.00 0.00 H new ATOM 0 HA MET A 53 -18.889 8.350 6.337 1.00 0.00 H new ATOM 0 HB2 MET A 53 -17.004 9.228 4.155 1.00 0.00 H new ATOM 0 HB3 MET A 53 -18.064 10.422 4.879 1.00 0.00 H new ATOM 0 HG2 MET A 53 -17.145 9.484 7.156 1.00 0.00 H new ATOM 0 HG3 MET A 53 -15.853 8.828 6.169 1.00 0.00 H new ATOM 0 HE1 MET A 53 -13.625 11.458 7.244 1.00 0.00 H new ATOM 0 HE2 MET A 53 -14.083 9.749 7.049 1.00 0.00 H new ATOM 0 HE3 MET A 53 -13.527 10.687 5.643 1.00 0.00 H new ATOM 588 N HIS A 54 -20.035 8.140 3.309 1.00 0.00 N ATOM 589 CA HIS A 54 -21.197 8.390 2.465 1.00 0.00 C ATOM 590 C HIS A 54 -21.284 9.865 2.086 1.00 0.00 C ATOM 591 O HIS A 54 -22.341 10.485 2.191 1.00 0.00 O ATOM 592 CB HIS A 54 -22.478 7.956 3.181 1.00 0.00 C ATOM 593 CG HIS A 54 -22.605 6.472 3.333 1.00 0.00 C ATOM 594 ND1 HIS A 54 -22.102 5.576 2.414 1.00 0.00 N ATOM 595 CD2 HIS A 54 -23.183 5.727 4.306 1.00 0.00 C ATOM 596 CE1 HIS A 54 -22.365 4.344 2.813 1.00 0.00 C ATOM 597 NE2 HIS A 54 -23.019 4.408 3.959 1.00 0.00 N ATOM 0 H HIS A 54 -19.360 7.484 2.916 1.00 0.00 H new ATOM 0 HA HIS A 54 -21.086 7.805 1.552 1.00 0.00 H new ATOM 0 HB2 HIS A 54 -22.507 8.418 4.168 1.00 0.00 H new ATOM 0 HB3 HIS A 54 -23.339 8.331 2.628 1.00 0.00 H new ATOM 0 HD1 HIS A 54 -21.604 5.825 1.559 1.00 0.00 H new ATOM 0 HD2 HIS A 54 -23.680 6.100 5.189 1.00 0.00 H new ATOM 0 HE1 HIS A 54 -22.092 3.439 2.291 1.00 0.00 H new ATOM 606 N GLY A 55 -20.159 10.419 1.643 1.00 0.00 N ATOM 607 CA GLY A 55 -20.125 11.817 1.255 1.00 0.00 C ATOM 608 C GLY A 55 -18.740 12.258 0.828 1.00 0.00 C ATOM 609 O GLY A 55 -18.592 13.018 -0.130 1.00 0.00 O ATOM 0 H GLY A 55 -19.272 9.925 1.546 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -20.826 11.982 0.437 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -20.459 12.433 2.090 1.00 0.00 H new ATOM 613 N GLY A 56 -17.726 11.776 1.537 1.00 0.00 N ATOM 614 CA GLY A 56 -16.359 12.130 1.206 1.00 0.00 C ATOM 615 C GLY A 56 -15.958 11.646 -0.173 1.00 0.00 C ATOM 616 O GLY A 56 -16.807 11.199 -0.945 1.00 0.00 O ATOM 0 H GLY A 56 -17.826 11.147 2.334 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -16.244 13.213 1.256 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -15.685 11.703 1.949 1.00 0.00 H new ATOM 620 N PRO A 57 -14.664 11.719 -0.517 1.00 0.00 N ATOM 621 CA PRO A 57 -14.167 11.279 -1.825 1.00 0.00 C ATOM 622 C PRO A 57 -14.506 9.818 -2.109 1.00 0.00 C ATOM 623 O PRO A 57 -14.572 9.400 -3.264 1.00 0.00 O ATOM 624 CB PRO A 57 -12.651 11.463 -1.718 1.00 0.00 C ATOM 625 CG PRO A 57 -12.459 12.463 -0.632 1.00 0.00 C ATOM 626 CD PRO A 57 -13.581 12.238 0.340 1.00 0.00 C ATOM 0 HA PRO A 57 -14.619 11.844 -2.641 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -12.155 10.522 -1.480 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -12.229 11.816 -2.659 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -11.491 12.332 -0.148 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -12.483 13.478 -1.028 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -13.305 11.525 1.117 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -13.871 13.161 0.842 1.00 0.00 H new ATOM 634 N ALA A 58 -14.718 9.046 -1.048 1.00 0.00 N ATOM 635 CA ALA A 58 -15.046 7.637 -1.183 1.00 0.00 C ATOM 636 C ALA A 58 -16.367 7.449 -1.919 1.00 0.00 C ATOM 637 O ALA A 58 -16.459 6.662 -2.862 1.00 0.00 O ATOM 638 CB ALA A 58 -15.103 6.975 0.184 1.00 0.00 C ATOM 0 H ALA A 58 -14.668 9.376 -0.084 1.00 0.00 H new ATOM 0 HA ALA A 58 -14.261 7.162 -1.772 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -15.350 5.920 0.067 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -14.134 7.069 0.674 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -15.866 7.461 0.792 1.00 0.00 H new ATOM 644 N GLU A 59 -17.387 8.176 -1.480 1.00 0.00 N ATOM 645 CA GLU A 59 -18.707 8.092 -2.095 1.00 0.00 C ATOM 646 C GLU A 59 -18.742 8.860 -3.413 1.00 0.00 C ATOM 647 O GLU A 59 -19.360 8.422 -4.383 1.00 0.00 O ATOM 648 CB GLU A 59 -19.774 8.632 -1.141 1.00 0.00 C ATOM 649 CG GLU A 59 -21.011 7.754 -1.052 1.00 0.00 C ATOM 650 CD GLU A 59 -20.685 6.324 -0.670 1.00 0.00 C ATOM 651 OE1 GLU A 59 -20.133 6.116 0.432 1.00 0.00 O ATOM 652 OE2 GLU A 59 -20.980 5.413 -1.472 1.00 0.00 O ATOM 0 H GLU A 59 -17.326 8.831 -0.700 1.00 0.00 H new ATOM 0 HA GLU A 59 -18.919 7.043 -2.303 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -19.341 8.737 -0.146 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -20.069 9.629 -1.467 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -21.698 8.174 -0.318 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -21.527 7.761 -2.012 1.00 0.00 H new ATOM 659 N LYS A 60 -18.076 10.012 -3.440 1.00 0.00 N ATOM 660 CA LYS A 60 -18.028 10.844 -4.637 1.00 0.00 C ATOM 661 C LYS A 60 -17.612 10.026 -5.856 1.00 0.00 C ATOM 662 O LYS A 60 -18.234 10.108 -6.915 1.00 0.00 O ATOM 663 CB LYS A 60 -17.057 12.008 -4.435 1.00 0.00 C ATOM 664 CG LYS A 60 -17.600 13.104 -3.534 1.00 0.00 C ATOM 665 CD LYS A 60 -17.248 14.486 -4.061 1.00 0.00 C ATOM 666 CE LYS A 60 -18.358 15.050 -4.933 1.00 0.00 C ATOM 667 NZ LYS A 60 -18.062 16.440 -5.378 1.00 0.00 N ATOM 0 H LYS A 60 -17.562 10.390 -2.644 1.00 0.00 H new ATOM 0 HA LYS A 60 -19.029 11.239 -4.813 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -16.129 11.626 -4.010 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -16.810 12.437 -5.406 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -18.683 13.009 -3.456 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -17.196 12.983 -2.529 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -17.064 15.160 -3.224 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -16.324 14.432 -4.636 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -18.495 14.411 -5.805 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -19.297 15.038 -4.379 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -18.843 16.789 -5.970 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -17.957 17.056 -4.546 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -17.180 16.448 -5.929 1.00 0.00 H new ATOM 681 N SER A 61 -16.558 9.235 -5.694 1.00 0.00 N ATOM 682 CA SER A 61 -16.054 8.395 -6.775 1.00 0.00 C ATOM 683 C SER A 61 -17.119 7.405 -7.234 1.00 0.00 C ATOM 684 O SER A 61 -17.417 7.305 -8.424 1.00 0.00 O ATOM 685 CB SER A 61 -14.801 7.645 -6.317 1.00 0.00 C ATOM 686 OG SER A 61 -13.642 8.158 -6.948 1.00 0.00 O ATOM 0 H SER A 61 -16.034 9.157 -4.822 1.00 0.00 H new ATOM 0 HA SER A 61 -15.797 9.037 -7.617 1.00 0.00 H new ATOM 0 HB2 SER A 61 -14.698 7.729 -5.235 1.00 0.00 H new ATOM 0 HB3 SER A 61 -14.904 6.584 -6.546 1.00 0.00 H new ATOM 0 HG SER A 61 -13.266 8.881 -6.404 1.00 0.00 H new ATOM 692 N GLY A 62 -17.684 6.673 -6.281 1.00 0.00 N ATOM 693 CA GLY A 62 -18.704 5.696 -6.606 1.00 0.00 C ATOM 694 C GLY A 62 -18.125 4.315 -6.843 1.00 0.00 C ATOM 695 O GLY A 62 -18.845 3.318 -6.803 1.00 0.00 O ATOM 0 H GLY A 62 -17.454 6.739 -5.290 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -19.430 5.649 -5.794 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -19.243 6.019 -7.497 1.00 0.00 H new ATOM 699 N LYS A 63 -16.818 4.258 -7.093 1.00 0.00 N ATOM 700 CA LYS A 63 -16.145 2.991 -7.338 1.00 0.00 C ATOM 701 C LYS A 63 -16.091 2.148 -6.068 1.00 0.00 C ATOM 702 O LYS A 63 -16.191 0.923 -6.118 1.00 0.00 O ATOM 703 CB LYS A 63 -14.734 3.237 -7.867 1.00 0.00 C ATOM 704 CG LYS A 63 -14.713 3.670 -9.322 1.00 0.00 C ATOM 705 CD LYS A 63 -13.703 4.773 -9.560 1.00 0.00 C ATOM 706 CE LYS A 63 -14.328 6.141 -9.361 1.00 0.00 C ATOM 707 NZ LYS A 63 -13.827 7.134 -10.351 1.00 0.00 N ATOM 0 H LYS A 63 -16.208 5.075 -7.130 1.00 0.00 H new ATOM 0 HA LYS A 63 -16.715 2.442 -8.088 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -14.252 4.003 -7.259 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -14.146 2.326 -7.756 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -14.474 2.814 -9.954 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -15.705 4.015 -9.614 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -12.861 4.652 -8.878 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -13.307 4.695 -10.573 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -15.412 6.060 -9.446 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -14.113 6.494 -8.353 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -14.280 8.054 -10.179 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -12.796 7.231 -10.254 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -14.055 6.811 -11.313 1.00 0.00 H new ATOM 721 N LEU A 64 -15.936 2.816 -4.929 1.00 0.00 N ATOM 722 CA LEU A 64 -15.873 2.132 -3.644 1.00 0.00 C ATOM 723 C LEU A 64 -17.272 1.947 -3.065 1.00 0.00 C ATOM 724 O LEU A 64 -17.942 2.919 -2.714 1.00 0.00 O ATOM 725 CB LEU A 64 -15.003 2.920 -2.662 1.00 0.00 C ATOM 726 CG LEU A 64 -13.499 2.844 -2.923 1.00 0.00 C ATOM 727 CD1 LEU A 64 -12.761 3.887 -2.098 1.00 0.00 C ATOM 728 CD2 LEU A 64 -12.975 1.448 -2.615 1.00 0.00 C ATOM 0 H LEU A 64 -15.852 3.831 -4.871 1.00 0.00 H new ATOM 0 HA LEU A 64 -15.427 1.150 -3.803 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -15.308 3.966 -2.689 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -15.200 2.556 -1.654 1.00 0.00 H new ATOM 0 HG LEU A 64 -13.321 3.053 -3.978 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -11.691 3.818 -2.297 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -13.117 4.882 -2.367 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -12.945 3.710 -1.038 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -11.903 1.412 -2.806 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -13.165 1.211 -1.568 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -13.482 0.721 -3.250 1.00 0.00 H new ATOM 740 N ASN A 65 -17.707 0.697 -2.968 1.00 0.00 N ATOM 741 CA ASN A 65 -19.027 0.388 -2.432 1.00 0.00 C ATOM 742 C ASN A 65 -18.929 -0.652 -1.323 1.00 0.00 C ATOM 743 O ASN A 65 -18.217 -1.649 -1.454 1.00 0.00 O ATOM 744 CB ASN A 65 -19.946 -0.122 -3.545 1.00 0.00 C ATOM 745 CG ASN A 65 -20.517 1.005 -4.384 1.00 0.00 C ATOM 746 OD1 ASN A 65 -21.313 1.811 -3.902 1.00 0.00 O ATOM 747 ND2 ASN A 65 -20.111 1.065 -5.647 1.00 0.00 N ATOM 0 H ASN A 65 -17.166 -0.119 -3.253 1.00 0.00 H new ATOM 0 HA ASN A 65 -19.448 1.303 -2.015 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -19.390 -0.804 -4.188 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -20.763 -0.694 -3.105 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -20.460 1.801 -6.261 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -19.450 0.375 -6.003 1.00 0.00 H new ATOM 754 N ILE A 66 -19.645 -0.412 -0.229 1.00 0.00 N ATOM 755 CA ILE A 66 -19.640 -1.322 0.907 1.00 0.00 C ATOM 756 C ILE A 66 -19.805 -2.774 0.469 1.00 0.00 C ATOM 757 O ILE A 66 -20.512 -3.072 -0.492 1.00 0.00 O ATOM 758 CB ILE A 66 -20.745 -0.939 1.899 1.00 0.00 C ATOM 759 CG1 ILE A 66 -20.415 0.423 2.496 1.00 0.00 C ATOM 760 CG2 ILE A 66 -20.898 -1.988 2.995 1.00 0.00 C ATOM 761 CD1 ILE A 66 -19.224 0.404 3.422 1.00 0.00 C ATOM 0 H ILE A 66 -20.238 0.409 -0.107 1.00 0.00 H new ATOM 0 HA ILE A 66 -18.671 -1.232 1.397 1.00 0.00 H new ATOM 0 HB ILE A 66 -21.697 -0.889 1.371 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -20.225 1.128 1.687 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -21.284 0.791 3.042 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -21.689 -1.685 3.681 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -21.154 -2.948 2.547 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -19.960 -2.082 3.542 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -19.048 1.408 3.809 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -19.419 -0.276 4.251 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -18.343 0.067 2.875 1.00 0.00 H new ATOM 773 N GLY A 67 -19.141 -3.671 1.187 1.00 0.00 N ATOM 774 CA GLY A 67 -19.215 -5.084 0.868 1.00 0.00 C ATOM 775 C GLY A 67 -18.176 -5.514 -0.153 1.00 0.00 C ATOM 776 O GLY A 67 -18.265 -6.608 -0.709 1.00 0.00 O ATOM 0 H GLY A 67 -18.551 -3.444 1.987 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -19.082 -5.665 1.781 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -20.210 -5.314 0.486 1.00 0.00 H new ATOM 780 N ASP A 68 -17.188 -4.656 -0.406 1.00 0.00 N ATOM 781 CA ASP A 68 -16.138 -4.968 -1.369 1.00 0.00 C ATOM 782 C ASP A 68 -14.828 -5.294 -0.658 1.00 0.00 C ATOM 783 O ASP A 68 -14.659 -4.988 0.523 1.00 0.00 O ATOM 784 CB ASP A 68 -15.934 -3.798 -2.331 1.00 0.00 C ATOM 785 CG ASP A 68 -17.169 -3.513 -3.163 1.00 0.00 C ATOM 786 OD1 ASP A 68 -18.286 -3.820 -2.693 1.00 0.00 O ATOM 787 OD2 ASP A 68 -17.022 -2.984 -4.286 1.00 0.00 O ATOM 0 H ASP A 68 -17.095 -3.744 0.041 1.00 0.00 H new ATOM 0 HA ASP A 68 -16.449 -5.844 -1.938 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -15.668 -2.906 -1.763 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -15.096 -4.017 -2.993 1.00 0.00 H new ATOM 792 N GLN A 69 -13.903 -5.917 -1.383 1.00 0.00 N ATOM 793 CA GLN A 69 -12.610 -6.285 -0.816 1.00 0.00 C ATOM 794 C GLN A 69 -11.477 -5.516 -1.487 1.00 0.00 C ATOM 795 O GLN A 69 -11.285 -5.611 -2.699 1.00 0.00 O ATOM 796 CB GLN A 69 -12.366 -7.786 -0.970 1.00 0.00 C ATOM 797 CG GLN A 69 -13.235 -8.640 -0.067 1.00 0.00 C ATOM 798 CD GLN A 69 -12.484 -9.159 1.141 1.00 0.00 C ATOM 799 OE1 GLN A 69 -12.887 -8.930 2.280 1.00 0.00 O ATOM 800 NE2 GLN A 69 -11.386 -9.865 0.896 1.00 0.00 N ATOM 0 H GLN A 69 -14.025 -6.177 -2.362 1.00 0.00 H new ATOM 0 HA GLN A 69 -12.629 -6.028 0.243 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -12.546 -8.070 -2.007 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -11.318 -7.999 -0.758 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -14.092 -8.055 0.266 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -13.627 -9.483 -0.637 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -11.090 -10.030 -0.066 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -10.839 -10.242 1.670 1.00 0.00 H new ATOM 809 N ILE A 70 -10.720 -4.770 -0.694 1.00 0.00 N ATOM 810 CA ILE A 70 -9.600 -4.002 -1.219 1.00 0.00 C ATOM 811 C ILE A 70 -8.316 -4.826 -1.164 1.00 0.00 C ATOM 812 O ILE A 70 -7.818 -5.143 -0.084 1.00 0.00 O ATOM 813 CB ILE A 70 -9.399 -2.689 -0.437 1.00 0.00 C ATOM 814 CG1 ILE A 70 -10.713 -1.911 -0.369 1.00 0.00 C ATOM 815 CG2 ILE A 70 -8.305 -1.847 -1.081 1.00 0.00 C ATOM 816 CD1 ILE A 70 -10.889 -1.133 0.917 1.00 0.00 C ATOM 0 H ILE A 70 -10.861 -4.681 0.312 1.00 0.00 H new ATOM 0 HA ILE A 70 -9.832 -3.755 -2.255 1.00 0.00 H new ATOM 0 HB ILE A 70 -9.087 -2.930 0.579 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -10.761 -1.221 -1.211 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -11.544 -2.607 -0.480 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -8.176 -0.924 -0.516 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -7.369 -2.405 -1.082 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -8.586 -1.608 -2.107 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -11.843 -0.606 0.896 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -10.873 -1.820 1.763 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -10.078 -0.412 1.020 1.00 0.00 H new ATOM 828 N MET A 71 -7.789 -5.185 -2.332 1.00 0.00 N ATOM 829 CA MET A 71 -6.573 -5.988 -2.405 1.00 0.00 C ATOM 830 C MET A 71 -5.324 -5.154 -2.139 1.00 0.00 C ATOM 831 O MET A 71 -4.602 -5.404 -1.177 1.00 0.00 O ATOM 832 CB MET A 71 -6.458 -6.674 -3.767 1.00 0.00 C ATOM 833 CG MET A 71 -7.237 -7.974 -3.859 1.00 0.00 C ATOM 834 SD MET A 71 -9.009 -7.712 -4.055 1.00 0.00 S ATOM 835 CE MET A 71 -9.659 -9.025 -3.026 1.00 0.00 C ATOM 0 H MET A 71 -8.184 -4.933 -3.238 1.00 0.00 H new ATOM 0 HA MET A 71 -6.644 -6.747 -1.626 1.00 0.00 H new ATOM 0 HB2 MET A 71 -6.813 -5.992 -4.539 1.00 0.00 H new ATOM 0 HB3 MET A 71 -5.407 -6.874 -3.977 1.00 0.00 H new ATOM 0 HG2 MET A 71 -6.865 -8.557 -4.702 1.00 0.00 H new ATOM 0 HG3 MET A 71 -7.059 -8.564 -2.960 1.00 0.00 H new ATOM 0 HE1 MET A 71 -10.471 -9.530 -3.550 1.00 0.00 H new ATOM 0 HE2 MET A 71 -8.867 -9.742 -2.807 1.00 0.00 H new ATOM 0 HE3 MET A 71 -10.035 -8.604 -2.094 1.00 0.00 H new ATOM 845 N SER A 72 -5.059 -4.175 -2.999 1.00 0.00 N ATOM 846 CA SER A 72 -3.877 -3.331 -2.840 1.00 0.00 C ATOM 847 C SER A 72 -4.214 -1.850 -2.994 1.00 0.00 C ATOM 848 O SER A 72 -5.182 -1.486 -3.663 1.00 0.00 O ATOM 849 CB SER A 72 -2.804 -3.726 -3.855 1.00 0.00 C ATOM 850 OG SER A 72 -1.583 -3.059 -3.594 1.00 0.00 O ATOM 0 H SER A 72 -5.640 -3.947 -3.806 1.00 0.00 H new ATOM 0 HA SER A 72 -3.498 -3.486 -1.830 1.00 0.00 H new ATOM 0 HB2 SER A 72 -2.647 -4.804 -3.821 1.00 0.00 H new ATOM 0 HB3 SER A 72 -3.145 -3.485 -4.862 1.00 0.00 H new ATOM 0 HG SER A 72 -1.293 -2.580 -4.398 1.00 0.00 H new ATOM 856 N ILE A 73 -3.401 -1.004 -2.369 1.00 0.00 N ATOM 857 CA ILE A 73 -3.590 0.435 -2.426 1.00 0.00 C ATOM 858 C ILE A 73 -2.315 1.132 -2.896 1.00 0.00 C ATOM 859 O ILE A 73 -1.357 1.275 -2.136 1.00 0.00 O ATOM 860 CB ILE A 73 -3.995 0.990 -1.045 1.00 0.00 C ATOM 861 CG1 ILE A 73 -5.368 0.453 -0.640 1.00 0.00 C ATOM 862 CG2 ILE A 73 -3.997 2.509 -1.056 1.00 0.00 C ATOM 863 CD1 ILE A 73 -5.403 -0.100 0.767 1.00 0.00 C ATOM 0 H ILE A 73 -2.598 -1.298 -1.813 1.00 0.00 H new ATOM 0 HA ILE A 73 -4.390 0.634 -3.140 1.00 0.00 H new ATOM 0 HB ILE A 73 -3.262 0.657 -0.311 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -6.103 1.253 -0.727 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -5.665 -0.330 -1.338 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -4.285 2.880 -0.072 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -2.999 2.872 -1.303 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -4.708 2.867 -1.801 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -6.406 -0.464 0.990 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -4.691 -0.921 0.853 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -5.137 0.686 1.474 1.00 0.00 H new ATOM 875 N ASN A 74 -2.312 1.568 -4.151 1.00 0.00 N ATOM 876 CA ASN A 74 -1.158 2.254 -4.720 1.00 0.00 C ATOM 877 C ASN A 74 0.083 1.364 -4.692 1.00 0.00 C ATOM 878 O ASN A 74 1.211 1.859 -4.701 1.00 0.00 O ATOM 879 CB ASN A 74 -0.881 3.551 -3.958 1.00 0.00 C ATOM 880 CG ASN A 74 -2.106 4.438 -3.863 1.00 0.00 C ATOM 881 OD1 ASN A 74 -2.593 4.954 -4.868 1.00 0.00 O ATOM 882 ND2 ASN A 74 -2.612 4.620 -2.648 1.00 0.00 N ATOM 0 H ASN A 74 -3.096 1.458 -4.794 1.00 0.00 H new ATOM 0 HA ASN A 74 -1.390 2.489 -5.759 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -0.530 3.312 -2.954 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -0.078 4.096 -4.454 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -3.436 5.207 -2.522 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -2.176 4.173 -1.842 1.00 0.00 H new ATOM 889 N GLY A 75 -0.128 0.051 -4.659 1.00 0.00 N ATOM 890 CA GLY A 75 0.990 -0.876 -4.634 1.00 0.00 C ATOM 891 C GLY A 75 1.021 -1.718 -3.373 1.00 0.00 C ATOM 892 O GLY A 75 1.439 -2.877 -3.405 1.00 0.00 O ATOM 0 H GLY A 75 -1.049 -0.386 -4.649 1.00 0.00 H new ATOM 0 HA2 GLY A 75 0.933 -1.532 -5.503 1.00 0.00 H new ATOM 0 HA3 GLY A 75 1.922 -0.317 -4.717 1.00 0.00 H new ATOM 896 N THR A 76 0.582 -1.139 -2.261 1.00 0.00 N ATOM 897 CA THR A 76 0.566 -1.848 -0.987 1.00 0.00 C ATOM 898 C THR A 76 -0.408 -3.020 -1.031 1.00 0.00 C ATOM 899 O THR A 76 -1.616 -2.843 -0.870 1.00 0.00 O ATOM 900 CB THR A 76 0.188 -0.896 0.143 1.00 0.00 C ATOM 901 OG1 THR A 76 0.834 0.354 -0.014 1.00 0.00 O ATOM 902 CG2 THR A 76 0.542 -1.428 1.516 1.00 0.00 C ATOM 0 H THR A 76 0.233 -0.182 -2.216 1.00 0.00 H new ATOM 0 HA THR A 76 1.567 -2.238 -0.802 1.00 0.00 H new ATOM 0 HB THR A 76 -0.895 -0.789 0.080 1.00 0.00 H new ATOM 0 HG1 THR A 76 0.576 0.950 0.720 1.00 0.00 H new ATOM 0 HG21 THR A 76 0.247 -0.703 2.274 1.00 0.00 H new ATOM 0 HG22 THR A 76 0.017 -2.368 1.689 1.00 0.00 H new ATOM 0 HG23 THR A 76 1.617 -1.597 1.575 1.00 0.00 H new ATOM 910 N SER A 77 0.124 -4.217 -1.253 1.00 0.00 N ATOM 911 CA SER A 77 -0.697 -5.420 -1.323 1.00 0.00 C ATOM 912 C SER A 77 -1.253 -5.789 0.048 1.00 0.00 C ATOM 913 O SER A 77 -0.524 -6.273 0.915 1.00 0.00 O ATOM 914 CB SER A 77 0.117 -6.586 -1.887 1.00 0.00 C ATOM 915 OG SER A 77 1.489 -6.458 -1.555 1.00 0.00 O ATOM 0 H SER A 77 1.122 -4.380 -1.388 1.00 0.00 H new ATOM 0 HA SER A 77 -1.536 -5.214 -1.988 1.00 0.00 H new ATOM 0 HB2 SER A 77 -0.269 -7.527 -1.494 1.00 0.00 H new ATOM 0 HB3 SER A 77 0.004 -6.622 -2.970 1.00 0.00 H new ATOM 0 HG SER A 77 1.987 -7.216 -1.925 1.00 0.00 H new ATOM 921 N LEU A 78 -2.550 -5.562 0.236 1.00 0.00 N ATOM 922 CA LEU A 78 -3.209 -5.877 1.498 1.00 0.00 C ATOM 923 C LEU A 78 -3.531 -7.363 1.585 1.00 0.00 C ATOM 924 O LEU A 78 -3.552 -7.941 2.671 1.00 0.00 O ATOM 925 CB LEU A 78 -4.502 -5.072 1.646 1.00 0.00 C ATOM 926 CG LEU A 78 -4.363 -3.562 1.446 1.00 0.00 C ATOM 927 CD1 LEU A 78 -5.659 -2.860 1.826 1.00 0.00 C ATOM 928 CD2 LEU A 78 -3.199 -3.020 2.260 1.00 0.00 C ATOM 0 H LEU A 78 -3.166 -5.160 -0.471 1.00 0.00 H new ATOM 0 HA LEU A 78 -2.524 -5.612 2.304 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -5.230 -5.451 0.928 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -4.911 -5.253 2.640 1.00 0.00 H new ATOM 0 HG LEU A 78 -4.160 -3.367 0.393 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -5.547 -1.786 1.679 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -6.470 -3.230 1.199 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -5.889 -3.061 2.872 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -3.116 -1.944 2.105 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -3.369 -3.222 3.318 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -2.276 -3.505 1.942 1.00 0.00 H new ATOM 940 N VAL A 79 -3.794 -7.972 0.434 1.00 0.00 N ATOM 941 CA VAL A 79 -4.126 -9.390 0.374 1.00 0.00 C ATOM 942 C VAL A 79 -3.077 -10.240 1.089 1.00 0.00 C ATOM 943 O VAL A 79 -2.107 -10.688 0.479 1.00 0.00 O ATOM 944 CB VAL A 79 -4.265 -9.865 -1.087 1.00 0.00 C ATOM 945 CG1 VAL A 79 -2.976 -9.625 -1.856 1.00 0.00 C ATOM 946 CG2 VAL A 79 -4.665 -11.334 -1.141 1.00 0.00 C ATOM 0 H VAL A 79 -3.784 -7.504 -0.472 1.00 0.00 H new ATOM 0 HA VAL A 79 -5.082 -9.516 0.882 1.00 0.00 H new ATOM 0 HB VAL A 79 -5.055 -9.282 -1.561 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -3.096 -9.967 -2.884 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -2.743 -8.560 -1.853 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -2.162 -10.175 -1.383 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -4.757 -11.648 -2.181 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -3.904 -11.937 -0.646 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -5.621 -11.470 -0.635 1.00 0.00 H new ATOM 956 N GLY A 80 -3.278 -10.461 2.387 1.00 0.00 N ATOM 957 CA GLY A 80 -2.339 -11.261 3.153 1.00 0.00 C ATOM 958 C GLY A 80 -2.129 -10.749 4.568 1.00 0.00 C ATOM 959 O GLY A 80 -1.805 -11.523 5.468 1.00 0.00 O ATOM 0 H GLY A 80 -4.071 -10.102 2.919 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -2.698 -12.289 3.196 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -1.380 -11.279 2.635 1.00 0.00 H new ATOM 963 N LEU A 81 -2.306 -9.445 4.770 1.00 0.00 N ATOM 964 CA LEU A 81 -2.121 -8.849 6.092 1.00 0.00 C ATOM 965 C LEU A 81 -3.457 -8.657 6.810 1.00 0.00 C ATOM 966 O LEU A 81 -4.514 -8.631 6.181 1.00 0.00 O ATOM 967 CB LEU A 81 -1.395 -7.506 5.978 1.00 0.00 C ATOM 968 CG LEU A 81 -1.807 -6.640 4.785 1.00 0.00 C ATOM 969 CD1 LEU A 81 -1.846 -5.172 5.180 1.00 0.00 C ATOM 970 CD2 LEU A 81 -0.855 -6.858 3.620 1.00 0.00 C ATOM 0 H LEU A 81 -2.575 -8.784 4.041 1.00 0.00 H new ATOM 0 HA LEU A 81 -1.513 -9.537 6.680 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -1.567 -6.940 6.894 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -0.323 -7.695 5.916 1.00 0.00 H new ATOM 0 HG LEU A 81 -2.808 -6.935 4.471 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -2.141 -4.571 4.319 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -2.567 -5.031 5.985 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -0.858 -4.860 5.519 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -1.161 -6.236 2.779 1.00 0.00 H new ATOM 0 HD22 LEU A 81 0.157 -6.589 3.922 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -0.878 -7.906 3.323 1.00 0.00 H new ATOM 982 N PRO A 82 -3.419 -8.522 8.150 1.00 0.00 N ATOM 983 CA PRO A 82 -4.627 -8.334 8.967 1.00 0.00 C ATOM 984 C PRO A 82 -5.327 -7.011 8.679 1.00 0.00 C ATOM 985 O PRO A 82 -4.961 -6.292 7.751 1.00 0.00 O ATOM 986 CB PRO A 82 -4.096 -8.355 10.403 1.00 0.00 C ATOM 987 CG PRO A 82 -2.661 -7.976 10.283 1.00 0.00 C ATOM 988 CD PRO A 82 -2.198 -8.546 8.975 1.00 0.00 C ATOM 0 HA PRO A 82 -5.375 -9.100 8.763 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -4.639 -7.653 11.036 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -4.208 -9.342 10.852 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -2.539 -6.893 10.303 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -2.079 -8.378 11.113 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -1.401 -7.947 8.534 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -1.809 -9.558 9.091 1.00 0.00 H new ATOM 996 N LEU A 83 -6.341 -6.698 9.482 1.00 0.00 N ATOM 997 CA LEU A 83 -7.101 -5.462 9.314 1.00 0.00 C ATOM 998 C LEU A 83 -6.331 -4.263 9.858 1.00 0.00 C ATOM 999 O LEU A 83 -6.249 -3.223 9.204 1.00 0.00 O ATOM 1000 CB LEU A 83 -8.462 -5.581 10.014 1.00 0.00 C ATOM 1001 CG LEU A 83 -9.129 -4.252 10.384 1.00 0.00 C ATOM 1002 CD1 LEU A 83 -9.429 -3.439 9.134 1.00 0.00 C ATOM 1003 CD2 LEU A 83 -10.400 -4.501 11.181 1.00 0.00 C ATOM 0 H LEU A 83 -6.656 -7.283 10.256 1.00 0.00 H new ATOM 0 HA LEU A 83 -7.260 -5.304 8.247 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -9.138 -6.139 9.366 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -8.334 -6.169 10.923 1.00 0.00 H new ATOM 0 HG LEU A 83 -8.440 -3.680 11.005 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -9.902 -2.499 9.416 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -8.500 -3.232 8.603 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -10.100 -4.003 8.486 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -10.862 -3.547 11.436 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -11.094 -5.092 10.584 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -10.156 -5.042 12.095 1.00 0.00 H new ATOM 1015 N SER A 84 -5.771 -4.408 11.056 1.00 0.00 N ATOM 1016 CA SER A 84 -5.015 -3.325 11.677 1.00 0.00 C ATOM 1017 C SER A 84 -3.934 -2.817 10.730 1.00 0.00 C ATOM 1018 O SER A 84 -3.726 -1.608 10.591 1.00 0.00 O ATOM 1019 CB SER A 84 -4.381 -3.802 12.985 1.00 0.00 C ATOM 1020 OG SER A 84 -5.361 -3.984 13.992 1.00 0.00 O ATOM 0 H SER A 84 -5.826 -5.260 11.614 1.00 0.00 H new ATOM 0 HA SER A 84 -5.702 -2.507 11.895 1.00 0.00 H new ATOM 0 HB2 SER A 84 -3.852 -4.740 12.815 1.00 0.00 H new ATOM 0 HB3 SER A 84 -3.642 -3.075 13.320 1.00 0.00 H new ATOM 0 HG SER A 84 -4.930 -4.291 14.817 1.00 0.00 H new ATOM 1026 N THR A 85 -3.260 -3.748 10.070 1.00 0.00 N ATOM 1027 CA THR A 85 -2.212 -3.396 9.129 1.00 0.00 C ATOM 1028 C THR A 85 -2.788 -2.626 7.947 1.00 0.00 C ATOM 1029 O THR A 85 -2.269 -1.578 7.573 1.00 0.00 O ATOM 1030 CB THR A 85 -1.495 -4.652 8.640 1.00 0.00 C ATOM 1031 OG1 THR A 85 -0.935 -5.371 9.726 1.00 0.00 O ATOM 1032 CG2 THR A 85 -0.377 -4.360 7.660 1.00 0.00 C ATOM 0 H THR A 85 -3.421 -4.750 10.170 1.00 0.00 H new ATOM 0 HA THR A 85 -1.492 -2.757 9.640 1.00 0.00 H new ATOM 0 HB THR A 85 -2.261 -5.239 8.133 1.00 0.00 H new ATOM 0 HG1 THR A 85 -0.482 -6.172 9.389 1.00 0.00 H new ATOM 0 HG21 THR A 85 0.091 -5.295 7.352 1.00 0.00 H new ATOM 0 HG22 THR A 85 -0.783 -3.852 6.785 1.00 0.00 H new ATOM 0 HG23 THR A 85 0.367 -3.722 8.137 1.00 0.00 H new ATOM 1040 N CYS A 86 -3.866 -3.153 7.365 1.00 0.00 N ATOM 1041 CA CYS A 86 -4.512 -2.515 6.220 1.00 0.00 C ATOM 1042 C CYS A 86 -4.906 -1.074 6.532 1.00 0.00 C ATOM 1043 O CYS A 86 -4.484 -0.144 5.839 1.00 0.00 O ATOM 1044 CB CYS A 86 -5.748 -3.309 5.798 1.00 0.00 C ATOM 1045 SG CYS A 86 -5.388 -4.981 5.214 1.00 0.00 S ATOM 0 H CYS A 86 -4.309 -4.020 7.669 1.00 0.00 H new ATOM 0 HA CYS A 86 -3.793 -2.501 5.401 1.00 0.00 H new ATOM 0 HB2 CYS A 86 -6.433 -3.371 6.644 1.00 0.00 H new ATOM 0 HB3 CYS A 86 -6.265 -2.763 5.008 1.00 0.00 H new ATOM 0 HG CYS A 86 -4.872 -5.677 6.183 1.00 0.00 H new ATOM 1051 N GLN A 87 -5.712 -0.884 7.577 1.00 0.00 N ATOM 1052 CA GLN A 87 -6.143 0.457 7.961 1.00 0.00 C ATOM 1053 C GLN A 87 -4.941 1.389 8.034 1.00 0.00 C ATOM 1054 O GLN A 87 -4.994 2.526 7.566 1.00 0.00 O ATOM 1055 CB GLN A 87 -6.878 0.431 9.302 1.00 0.00 C ATOM 1056 CG GLN A 87 -6.101 -0.251 10.414 1.00 0.00 C ATOM 1057 CD GLN A 87 -6.909 -0.382 11.688 1.00 0.00 C ATOM 1058 OE1 GLN A 87 -6.625 0.275 12.690 1.00 0.00 O ATOM 1059 NE2 GLN A 87 -7.926 -1.236 11.655 1.00 0.00 N ATOM 0 H GLN A 87 -6.075 -1.633 8.166 1.00 0.00 H new ATOM 0 HA GLN A 87 -6.834 0.827 7.204 1.00 0.00 H new ATOM 0 HB2 GLN A 87 -7.102 1.454 9.603 1.00 0.00 H new ATOM 0 HB3 GLN A 87 -7.832 -0.079 9.173 1.00 0.00 H new ATOM 0 HG2 GLN A 87 -5.790 -1.241 10.081 1.00 0.00 H new ATOM 0 HG3 GLN A 87 -5.193 0.316 10.620 1.00 0.00 H new ATOM 0 HE21 GLN A 87 -8.125 -1.760 10.803 1.00 0.00 H new ATOM 0 HE22 GLN A 87 -8.508 -1.368 12.482 1.00 0.00 H new ATOM 1068 N SER A 88 -3.853 0.888 8.609 1.00 0.00 N ATOM 1069 CA SER A 88 -2.631 1.666 8.722 1.00 0.00 C ATOM 1070 C SER A 88 -2.111 2.039 7.335 1.00 0.00 C ATOM 1071 O SER A 88 -1.563 3.124 7.136 1.00 0.00 O ATOM 1072 CB SER A 88 -1.567 0.881 9.490 1.00 0.00 C ATOM 1073 OG SER A 88 -0.278 1.429 9.281 1.00 0.00 O ATOM 0 H SER A 88 -3.795 -0.051 9.002 1.00 0.00 H new ATOM 0 HA SER A 88 -2.853 2.581 9.272 1.00 0.00 H new ATOM 0 HB2 SER A 88 -1.801 0.891 10.554 1.00 0.00 H new ATOM 0 HB3 SER A 88 -1.579 -0.161 9.171 1.00 0.00 H new ATOM 0 HG SER A 88 0.384 0.910 9.784 1.00 0.00 H new ATOM 1079 N ILE A 89 -2.295 1.131 6.377 1.00 0.00 N ATOM 1080 CA ILE A 89 -1.853 1.363 5.005 1.00 0.00 C ATOM 1081 C ILE A 89 -2.515 2.608 4.429 1.00 0.00 C ATOM 1082 O ILE A 89 -1.846 3.480 3.875 1.00 0.00 O ATOM 1083 CB ILE A 89 -2.184 0.162 4.093 1.00 0.00 C ATOM 1084 CG1 ILE A 89 -1.652 -1.139 4.700 1.00 0.00 C ATOM 1085 CG2 ILE A 89 -1.617 0.380 2.696 1.00 0.00 C ATOM 1086 CD1 ILE A 89 -0.162 -1.337 4.531 1.00 0.00 C ATOM 0 H ILE A 89 -2.747 0.229 6.527 1.00 0.00 H new ATOM 0 HA ILE A 89 -0.772 1.499 5.038 1.00 0.00 H new ATOM 0 HB ILE A 89 -3.268 0.079 4.012 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -1.891 -1.155 5.763 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -2.173 -1.980 4.243 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -1.860 -0.476 2.067 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -2.050 1.282 2.264 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -0.534 0.491 2.756 1.00 0.00 H new ATOM 0 HD11 ILE A 89 0.134 -2.281 4.988 1.00 0.00 H new ATOM 0 HD12 ILE A 89 0.085 -1.355 3.469 1.00 0.00 H new ATOM 0 HD13 ILE A 89 0.371 -0.518 5.013 1.00 0.00 H new ATOM 1098 N ILE A 90 -3.834 2.680 4.564 1.00 0.00 N ATOM 1099 CA ILE A 90 -4.590 3.808 4.063 1.00 0.00 C ATOM 1100 C ILE A 90 -4.353 5.050 4.912 1.00 0.00 C ATOM 1101 O ILE A 90 -4.116 6.138 4.389 1.00 0.00 O ATOM 1102 CB ILE A 90 -6.090 3.488 4.045 1.00 0.00 C ATOM 1103 CG1 ILE A 90 -6.344 2.141 3.363 1.00 0.00 C ATOM 1104 CG2 ILE A 90 -6.839 4.593 3.338 1.00 0.00 C ATOM 1105 CD1 ILE A 90 -7.740 1.600 3.593 1.00 0.00 C ATOM 0 H ILE A 90 -4.399 1.964 5.020 1.00 0.00 H new ATOM 0 HA ILE A 90 -4.248 4.005 3.047 1.00 0.00 H new ATOM 0 HB ILE A 90 -6.450 3.419 5.072 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -6.177 2.248 2.291 1.00 0.00 H new ATOM 0 HG13 ILE A 90 -5.617 1.415 3.728 1.00 0.00 H new ATOM 0 HG21 ILE A 90 -7.904 4.362 3.327 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -6.677 5.535 3.862 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -6.477 4.681 2.314 1.00 0.00 H new ATOM 0 HD11 ILE A 90 -7.849 0.644 3.081 1.00 0.00 H new ATOM 0 HD12 ILE A 90 -7.905 1.460 4.661 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -8.473 2.306 3.202 1.00 0.00 H new ATOM 1117 N LYS A 91 -4.417 4.878 6.227 1.00 0.00 N ATOM 1118 CA LYS A 91 -4.207 5.987 7.153 1.00 0.00 C ATOM 1119 C LYS A 91 -2.865 6.662 6.900 1.00 0.00 C ATOM 1120 O LYS A 91 -2.674 7.833 7.224 1.00 0.00 O ATOM 1121 CB LYS A 91 -4.283 5.496 8.601 1.00 0.00 C ATOM 1122 CG LYS A 91 -5.704 5.292 9.101 1.00 0.00 C ATOM 1123 CD LYS A 91 -5.839 3.998 9.888 1.00 0.00 C ATOM 1124 CE LYS A 91 -6.714 4.182 11.118 1.00 0.00 C ATOM 1125 NZ LYS A 91 -5.943 4.711 12.276 1.00 0.00 N ATOM 0 H LYS A 91 -4.612 3.983 6.677 1.00 0.00 H new ATOM 0 HA LYS A 91 -4.997 6.719 6.986 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -3.738 4.556 8.686 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -3.779 6.215 9.247 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -5.993 6.133 9.731 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -6.390 5.277 8.254 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -6.266 3.225 9.249 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -4.851 3.651 10.192 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -7.530 4.865 10.883 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -7.165 3.227 11.388 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -6.576 4.822 13.093 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -5.179 4.047 12.517 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -5.534 5.634 12.028 1.00 0.00 H new ATOM 1139 N GLY A 92 -1.943 5.916 6.309 1.00 0.00 N ATOM 1140 CA GLY A 92 -0.630 6.455 6.008 1.00 0.00 C ATOM 1141 C GLY A 92 -0.668 7.432 4.848 1.00 0.00 C ATOM 1142 O GLY A 92 -0.032 8.485 4.892 1.00 0.00 O ATOM 0 H GLY A 92 -2.080 4.944 6.031 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -0.233 6.956 6.891 1.00 0.00 H new ATOM 0 HA3 GLY A 92 0.052 5.638 5.771 1.00 0.00 H new ATOM 1146 N LEU A 93 -1.419 7.082 3.809 1.00 0.00 N ATOM 1147 CA LEU A 93 -1.546 7.935 2.632 1.00 0.00 C ATOM 1148 C LEU A 93 -2.753 8.860 2.762 1.00 0.00 C ATOM 1149 O LEU A 93 -3.644 8.863 1.912 1.00 0.00 O ATOM 1150 CB LEU A 93 -1.669 7.083 1.370 1.00 0.00 C ATOM 1151 CG LEU A 93 -2.776 6.032 1.410 1.00 0.00 C ATOM 1152 CD1 LEU A 93 -3.818 6.308 0.337 1.00 0.00 C ATOM 1153 CD2 LEU A 93 -2.195 4.635 1.248 1.00 0.00 C ATOM 0 H LEU A 93 -1.950 6.212 3.758 1.00 0.00 H new ATOM 0 HA LEU A 93 -0.648 8.549 2.557 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -1.844 7.742 0.520 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -0.718 6.581 1.194 1.00 0.00 H new ATOM 0 HG LEU A 93 -3.265 6.088 2.382 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -4.598 5.548 0.383 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -4.259 7.291 0.503 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -3.345 6.284 -0.645 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -3.000 3.900 1.279 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -1.677 4.565 0.292 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -1.492 4.437 2.057 1.00 0.00 H new ATOM 1165 N LYS A 94 -2.777 9.638 3.841 1.00 0.00 N ATOM 1166 CA LYS A 94 -3.874 10.565 4.096 1.00 0.00 C ATOM 1167 C LYS A 94 -3.636 11.914 3.420 1.00 0.00 C ATOM 1168 O LYS A 94 -4.584 12.627 3.092 1.00 0.00 O ATOM 1169 CB LYS A 94 -4.053 10.762 5.604 1.00 0.00 C ATOM 1170 CG LYS A 94 -5.146 11.754 5.966 1.00 0.00 C ATOM 1171 CD LYS A 94 -4.576 13.138 6.230 1.00 0.00 C ATOM 1172 CE LYS A 94 -4.433 13.406 7.720 1.00 0.00 C ATOM 1173 NZ LYS A 94 -4.417 14.864 8.024 1.00 0.00 N ATOM 0 H LYS A 94 -2.047 9.644 4.554 1.00 0.00 H new ATOM 0 HA LYS A 94 -4.782 10.133 3.674 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -4.282 9.800 6.062 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -3.110 11.102 6.031 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -5.873 11.807 5.156 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -5.679 11.404 6.850 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -3.603 13.230 5.748 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -5.225 13.891 5.784 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -5.257 12.933 8.254 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -3.513 12.949 8.084 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -4.217 15.006 9.035 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -3.680 15.329 7.456 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -5.343 15.277 7.794 1.00 0.00 H new ATOM 1187 N ASN A 95 -2.369 12.265 3.226 1.00 0.00 N ATOM 1188 CA ASN A 95 -2.018 13.537 2.599 1.00 0.00 C ATOM 1189 C ASN A 95 -1.788 13.376 1.098 1.00 0.00 C ATOM 1190 O ASN A 95 -0.921 14.031 0.521 1.00 0.00 O ATOM 1191 CB ASN A 95 -0.767 14.123 3.258 1.00 0.00 C ATOM 1192 CG ASN A 95 -1.045 14.657 4.648 1.00 0.00 C ATOM 1193 OD1 ASN A 95 -1.877 15.545 4.831 1.00 0.00 O ATOM 1194 ND2 ASN A 95 -0.345 14.116 5.640 1.00 0.00 N ATOM 0 H ASN A 95 -1.570 11.690 3.492 1.00 0.00 H new ATOM 0 HA ASN A 95 -2.856 14.220 2.741 1.00 0.00 H new ATOM 0 HB2 ASN A 95 0.005 13.355 3.314 1.00 0.00 H new ATOM 0 HB3 ASN A 95 -0.373 14.926 2.635 1.00 0.00 H new ATOM 0 HD21 ASN A 95 -0.488 14.435 6.598 1.00 0.00 H new ATOM 0 HD22 ASN A 95 0.335 13.382 5.443 1.00 0.00 H new ATOM 1201 N GLN A 96 -2.567 12.502 0.471 1.00 0.00 N ATOM 1202 CA GLN A 96 -2.441 12.258 -0.960 1.00 0.00 C ATOM 1203 C GLN A 96 -3.537 12.966 -1.743 1.00 0.00 C ATOM 1204 O GLN A 96 -4.647 13.165 -1.247 1.00 0.00 O ATOM 1205 CB GLN A 96 -2.495 10.759 -1.248 1.00 0.00 C ATOM 1206 CG GLN A 96 -1.123 10.136 -1.403 1.00 0.00 C ATOM 1207 CD GLN A 96 -1.167 8.735 -1.986 1.00 0.00 C ATOM 1208 OE1 GLN A 96 -2.206 7.979 -1.643 1.00 0.00 O flip ATOM 1209 NE2 GLN A 96 -0.279 8.337 -2.737 1.00 0.00 N flip ATOM 0 H GLN A 96 -3.292 11.951 0.931 1.00 0.00 H new ATOM 0 HA GLN A 96 -1.478 12.657 -1.279 1.00 0.00 H new ATOM 0 HB2 GLN A 96 -3.026 10.258 -0.439 1.00 0.00 H new ATOM 0 HB3 GLN A 96 -3.070 10.590 -2.159 1.00 0.00 H new ATOM 0 HG2 GLN A 96 -0.513 10.771 -2.045 1.00 0.00 H new ATOM 0 HG3 GLN A 96 -0.634 10.103 -0.430 1.00 0.00 H new ATOM 0 HE21 GLN A 96 0.501 8.950 -2.974 1.00 0.00 H new ATOM 0 HE22 GLN A 96 -0.322 7.394 -3.123 1.00 0.00 H new ATOM 1218 N SER A 97 -3.221 13.332 -2.980 1.00 0.00 N ATOM 1219 CA SER A 97 -4.178 14.000 -3.848 1.00 0.00 C ATOM 1220 C SER A 97 -4.942 12.981 -4.691 1.00 0.00 C ATOM 1221 O SER A 97 -5.967 13.300 -5.294 1.00 0.00 O ATOM 1222 CB SER A 97 -3.462 15.006 -4.752 1.00 0.00 C ATOM 1223 OG SER A 97 -2.952 14.379 -5.916 1.00 0.00 O ATOM 0 H SER A 97 -2.306 13.176 -3.403 1.00 0.00 H new ATOM 0 HA SER A 97 -4.893 14.536 -3.224 1.00 0.00 H new ATOM 0 HB2 SER A 97 -4.153 15.799 -5.037 1.00 0.00 H new ATOM 0 HB3 SER A 97 -2.647 15.476 -4.202 1.00 0.00 H new ATOM 0 HG SER A 97 -2.501 15.045 -6.476 1.00 0.00 H new ATOM 1229 N ARG A 98 -4.436 11.752 -4.716 1.00 0.00 N ATOM 1230 CA ARG A 98 -5.066 10.673 -5.471 1.00 0.00 C ATOM 1231 C ARG A 98 -4.826 9.335 -4.783 1.00 0.00 C ATOM 1232 O ARG A 98 -3.726 9.066 -4.300 1.00 0.00 O ATOM 1233 CB ARG A 98 -4.526 10.631 -6.901 1.00 0.00 C ATOM 1234 CG ARG A 98 -5.529 10.099 -7.912 1.00 0.00 C ATOM 1235 CD ARG A 98 -5.554 10.941 -9.177 1.00 0.00 C ATOM 1236 NE ARG A 98 -5.674 12.368 -8.883 1.00 0.00 N ATOM 1237 CZ ARG A 98 -5.362 13.331 -9.747 1.00 0.00 C ATOM 1238 NH1 ARG A 98 -4.910 13.026 -10.958 1.00 0.00 N ATOM 1239 NH2 ARG A 98 -5.501 14.603 -9.398 1.00 0.00 N ATOM 0 H ARG A 98 -3.588 11.477 -4.220 1.00 0.00 H new ATOM 0 HA ARG A 98 -6.139 10.863 -5.509 1.00 0.00 H new ATOM 0 HB2 ARG A 98 -4.222 11.635 -7.196 1.00 0.00 H new ATOM 0 HB3 ARG A 98 -3.632 10.008 -6.925 1.00 0.00 H new ATOM 0 HG2 ARG A 98 -5.278 9.069 -8.166 1.00 0.00 H new ATOM 0 HG3 ARG A 98 -6.523 10.084 -7.465 1.00 0.00 H new ATOM 0 HD2 ARG A 98 -4.643 10.764 -9.748 1.00 0.00 H new ATOM 0 HD3 ARG A 98 -6.389 10.629 -9.804 1.00 0.00 H new ATOM 0 HE ARG A 98 -6.017 12.642 -7.962 1.00 0.00 H new ATOM 0 HH11 ARG A 98 -4.800 12.049 -11.230 1.00 0.00 H new ATOM 0 HH12 ARG A 98 -4.673 13.769 -11.616 1.00 0.00 H new ATOM 0 HH21 ARG A 98 -5.847 14.842 -8.469 1.00 0.00 H new ATOM 0 HH22 ARG A 98 -5.262 15.342 -10.059 1.00 0.00 H new ATOM 1253 N VAL A 99 -5.860 8.503 -4.727 1.00 0.00 N ATOM 1254 CA VAL A 99 -5.748 7.202 -4.080 1.00 0.00 C ATOM 1255 C VAL A 99 -6.088 6.061 -5.034 1.00 0.00 C ATOM 1256 O VAL A 99 -7.257 5.812 -5.330 1.00 0.00 O ATOM 1257 CB VAL A 99 -6.666 7.108 -2.847 1.00 0.00 C ATOM 1258 CG1 VAL A 99 -6.348 5.862 -2.037 1.00 0.00 C ATOM 1259 CG2 VAL A 99 -6.540 8.358 -1.988 1.00 0.00 C ATOM 0 H VAL A 99 -6.780 8.705 -5.119 1.00 0.00 H new ATOM 0 HA VAL A 99 -4.708 7.105 -3.768 1.00 0.00 H new ATOM 0 HB VAL A 99 -7.698 7.035 -3.192 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -7.007 5.814 -1.170 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -6.497 4.978 -2.656 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -5.311 5.900 -1.703 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -7.196 8.272 -1.122 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -5.509 8.466 -1.652 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -6.825 9.232 -2.574 1.00 0.00 H new ATOM 1269 N LYS A 100 -5.057 5.362 -5.495 1.00 0.00 N ATOM 1270 CA LYS A 100 -5.232 4.234 -6.395 1.00 0.00 C ATOM 1271 C LYS A 100 -5.401 2.955 -5.592 1.00 0.00 C ATOM 1272 O LYS A 100 -4.578 2.639 -4.732 1.00 0.00 O ATOM 1273 CB LYS A 100 -4.023 4.110 -7.318 1.00 0.00 C ATOM 1274 CG LYS A 100 -4.239 3.148 -8.469 1.00 0.00 C ATOM 1275 CD LYS A 100 -3.826 3.757 -9.803 1.00 0.00 C ATOM 1276 CE LYS A 100 -5.028 3.986 -10.707 1.00 0.00 C ATOM 1277 NZ LYS A 100 -5.148 2.931 -11.750 1.00 0.00 N ATOM 0 H LYS A 100 -4.085 5.561 -5.257 1.00 0.00 H new ATOM 0 HA LYS A 100 -6.124 4.398 -6.999 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -3.778 5.094 -7.718 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -3.163 3.780 -6.735 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -3.667 2.237 -8.293 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -5.290 2.861 -8.510 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -3.314 4.704 -9.629 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -3.115 3.097 -10.301 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -5.936 4.006 -10.105 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -4.941 4.961 -11.186 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -6.136 2.868 -12.068 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -4.538 3.171 -12.558 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -4.853 2.016 -11.354 1.00 0.00 H new ATOM 1291 N LEU A 101 -6.474 2.227 -5.860 1.00 0.00 N ATOM 1292 CA LEU A 101 -6.744 0.990 -5.143 1.00 0.00 C ATOM 1293 C LEU A 101 -7.224 -0.097 -6.094 1.00 0.00 C ATOM 1294 O LEU A 101 -7.783 0.190 -7.148 1.00 0.00 O ATOM 1295 CB LEU A 101 -7.798 1.214 -4.048 1.00 0.00 C ATOM 1296 CG LEU A 101 -7.950 2.659 -3.549 1.00 0.00 C ATOM 1297 CD1 LEU A 101 -9.413 3.076 -3.556 1.00 0.00 C ATOM 1298 CD2 LEU A 101 -7.363 2.804 -2.153 1.00 0.00 C ATOM 0 H LEU A 101 -7.169 2.470 -6.566 1.00 0.00 H new ATOM 0 HA LEU A 101 -5.811 0.668 -4.680 1.00 0.00 H new ATOM 0 HB2 LEU A 101 -8.763 0.877 -4.426 1.00 0.00 H new ATOM 0 HB3 LEU A 101 -7.550 0.580 -3.197 1.00 0.00 H new ATOM 0 HG LEU A 101 -7.402 3.315 -4.225 1.00 0.00 H new ATOM 0 HD11 LEU A 101 -9.501 4.102 -3.199 1.00 0.00 H new ATOM 0 HD12 LEU A 101 -9.805 3.010 -4.571 1.00 0.00 H new ATOM 0 HD13 LEU A 101 -9.983 2.415 -2.903 1.00 0.00 H new ATOM 0 HD21 LEU A 101 -7.479 3.834 -1.815 1.00 0.00 H new ATOM 0 HD22 LEU A 101 -7.885 2.136 -1.468 1.00 0.00 H new ATOM 0 HD23 LEU A 101 -6.304 2.546 -2.175 1.00 0.00 H new ATOM 1310 N ASN A 102 -7.014 -1.345 -5.704 1.00 0.00 N ATOM 1311 CA ASN A 102 -7.445 -2.479 -6.506 1.00 0.00 C ATOM 1312 C ASN A 102 -8.350 -3.368 -5.669 1.00 0.00 C ATOM 1313 O ASN A 102 -7.881 -4.263 -4.972 1.00 0.00 O ATOM 1314 CB ASN A 102 -6.244 -3.275 -7.019 1.00 0.00 C ATOM 1315 CG ASN A 102 -6.447 -3.772 -8.438 1.00 0.00 C ATOM 1316 OD1 ASN A 102 -6.898 -2.882 -9.316 1.00 0.00 O flip ATOM 1317 ND2 ASN A 102 -6.201 -4.939 -8.741 1.00 0.00 N flip ATOM 0 H ASN A 102 -6.546 -1.598 -4.834 1.00 0.00 H new ATOM 0 HA ASN A 102 -7.994 -2.111 -7.373 1.00 0.00 H new ATOM 0 HB2 ASN A 102 -5.352 -2.649 -6.980 1.00 0.00 H new ATOM 0 HB3 ASN A 102 -6.066 -4.125 -6.360 1.00 0.00 H new ATOM 0 HD21 ASN A 102 -5.856 -5.588 -8.033 1.00 0.00 H new ATOM 0 HD22 ASN A 102 -6.342 -5.258 -9.700 1.00 0.00 H new ATOM 1324 N ILE A 103 -9.648 -3.099 -5.718 1.00 0.00 N ATOM 1325 CA ILE A 103 -10.606 -3.866 -4.934 1.00 0.00 C ATOM 1326 C ILE A 103 -11.466 -4.762 -5.818 1.00 0.00 C ATOM 1327 O ILE A 103 -11.424 -4.666 -7.045 1.00 0.00 O ATOM 1328 CB ILE A 103 -11.491 -2.937 -4.063 1.00 0.00 C ATOM 1329 CG1 ILE A 103 -12.746 -2.468 -4.803 1.00 0.00 C ATOM 1330 CG2 ILE A 103 -10.690 -1.726 -3.601 1.00 0.00 C ATOM 1331 CD1 ILE A 103 -13.860 -2.075 -3.863 1.00 0.00 C ATOM 0 H ILE A 103 -10.059 -2.360 -6.289 1.00 0.00 H new ATOM 0 HA ILE A 103 -10.034 -4.511 -4.267 1.00 0.00 H new ATOM 0 HB ILE A 103 -11.812 -3.521 -3.200 1.00 0.00 H new ATOM 0 HG12 ILE A 103 -12.493 -1.618 -5.437 1.00 0.00 H new ATOM 0 HG13 ILE A 103 -13.094 -3.264 -5.461 1.00 0.00 H new ATOM 0 HG21 ILE A 103 -11.323 -1.082 -2.991 1.00 0.00 H new ATOM 0 HG22 ILE A 103 -9.835 -2.058 -3.012 1.00 0.00 H new ATOM 0 HG23 ILE A 103 -10.338 -1.170 -4.470 1.00 0.00 H new ATOM 0 HD11 ILE A 103 -14.726 -1.750 -4.440 1.00 0.00 H new ATOM 0 HD12 ILE A 103 -14.135 -2.931 -3.247 1.00 0.00 H new ATOM 0 HD13 ILE A 103 -13.525 -1.259 -3.222 1.00 0.00 H new ATOM 1343 N VAL A 104 -12.239 -5.638 -5.188 1.00 0.00 N ATOM 1344 CA VAL A 104 -13.103 -6.557 -5.914 1.00 0.00 C ATOM 1345 C VAL A 104 -14.561 -6.400 -5.489 1.00 0.00 C ATOM 1346 O VAL A 104 -14.881 -6.444 -4.300 1.00 0.00 O ATOM 1347 CB VAL A 104 -12.652 -8.022 -5.707 1.00 0.00 C ATOM 1348 CG1 VAL A 104 -13.140 -8.569 -4.372 1.00 0.00 C ATOM 1349 CG2 VAL A 104 -13.131 -8.896 -6.855 1.00 0.00 C ATOM 0 H VAL A 104 -12.284 -5.730 -4.173 1.00 0.00 H new ATOM 0 HA VAL A 104 -13.022 -6.310 -6.972 1.00 0.00 H new ATOM 0 HB VAL A 104 -11.562 -8.037 -5.692 1.00 0.00 H new ATOM 0 HG11 VAL A 104 -12.806 -9.600 -4.257 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -12.735 -7.964 -3.561 1.00 0.00 H new ATOM 0 HG13 VAL A 104 -14.229 -8.535 -4.341 1.00 0.00 H new ATOM 0 HG21 VAL A 104 -12.804 -9.923 -6.691 1.00 0.00 H new ATOM 0 HG22 VAL A 104 -14.219 -8.865 -6.906 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -12.713 -8.527 -7.792 1.00 0.00 H new ATOM 1359 N ARG A 105 -15.445 -6.219 -6.464 1.00 0.00 N ATOM 1360 CA ARG A 105 -16.863 -6.061 -6.184 1.00 0.00 C ATOM 1361 C ARG A 105 -17.534 -7.426 -6.046 1.00 0.00 C ATOM 1362 O ARG A 105 -17.673 -8.161 -7.023 1.00 0.00 O ATOM 1363 CB ARG A 105 -17.534 -5.254 -7.298 1.00 0.00 C ATOM 1364 CG ARG A 105 -19.034 -5.096 -7.114 1.00 0.00 C ATOM 1365 CD ARG A 105 -19.507 -3.711 -7.531 1.00 0.00 C ATOM 1366 NE ARG A 105 -20.110 -3.715 -8.861 1.00 0.00 N ATOM 1367 CZ ARG A 105 -20.817 -2.702 -9.358 1.00 0.00 C ATOM 1368 NH1 ARG A 105 -21.013 -1.605 -8.637 1.00 0.00 N ATOM 1369 NH2 ARG A 105 -21.330 -2.788 -10.577 1.00 0.00 N ATOM 0 H ARG A 105 -15.203 -6.178 -7.454 1.00 0.00 H new ATOM 0 HA ARG A 105 -16.974 -5.522 -5.243 1.00 0.00 H new ATOM 0 HB2 ARG A 105 -17.076 -4.266 -7.346 1.00 0.00 H new ATOM 0 HB3 ARG A 105 -17.343 -5.741 -8.254 1.00 0.00 H new ATOM 0 HG2 ARG A 105 -19.555 -5.851 -7.702 1.00 0.00 H new ATOM 0 HG3 ARG A 105 -19.293 -5.271 -6.070 1.00 0.00 H new ATOM 0 HD2 ARG A 105 -20.232 -3.342 -6.806 1.00 0.00 H new ATOM 0 HD3 ARG A 105 -18.663 -3.021 -7.518 1.00 0.00 H new ATOM 0 HE ARG A 105 -19.982 -4.542 -9.444 1.00 0.00 H new ATOM 0 HH11 ARG A 105 -20.621 -1.535 -7.698 1.00 0.00 H new ATOM 0 HH12 ARG A 105 -21.555 -0.832 -9.022 1.00 0.00 H new ATOM 0 HH21 ARG A 105 -21.183 -3.630 -11.134 1.00 0.00 H new ATOM 0 HH22 ARG A 105 -21.872 -2.012 -10.958 1.00 0.00 H new ATOM 1384 N PRO B -3 -17.204 4.091 13.442 1.00 0.00 N ATOM 1385 CA PRO B -3 -16.131 3.113 13.242 1.00 0.00 C ATOM 1386 C PRO B -3 -14.863 3.749 12.681 1.00 0.00 C ATOM 1387 O PRO B -3 -14.885 4.884 12.205 1.00 0.00 O ATOM 1388 CB PRO B -3 -16.730 2.139 12.228 1.00 0.00 C ATOM 1389 CG PRO B -3 -17.704 2.958 11.454 1.00 0.00 C ATOM 1390 CD PRO B -3 -18.265 3.962 12.423 1.00 0.00 C ATOM 0 H2 PRO B -3 -16.815 5.033 13.410 1.00 0.00 H new ATOM 0 H3 PRO B -3 -17.608 3.967 14.370 1.00 0.00 H new ATOM 0 HA PRO B -3 -15.825 2.646 14.178 1.00 0.00 H new ATOM 0 HB2 PRO B -3 -15.961 1.719 11.580 1.00 0.00 H new ATOM 0 HB3 PRO B -3 -17.221 1.302 12.724 1.00 0.00 H new ATOM 0 HG2 PRO B -3 -17.216 3.455 10.616 1.00 0.00 H new ATOM 0 HG3 PRO B -3 -18.495 2.334 11.038 1.00 0.00 H new ATOM 0 HD2 PRO B -3 -18.473 4.915 11.937 1.00 0.00 H new ATOM 0 HD3 PRO B -3 -19.202 3.617 12.861 1.00 0.00 H new ATOM 1398 N VAL B -2 -13.759 3.009 12.738 1.00 0.00 N ATOM 1399 CA VAL B -2 -12.483 3.502 12.232 1.00 0.00 C ATOM 1400 C VAL B -2 -12.593 3.880 10.758 1.00 0.00 C ATOM 1401 O VAL B -2 -12.905 3.041 9.914 1.00 0.00 O ATOM 1402 CB VAL B -2 -11.369 2.452 12.398 1.00 0.00 C ATOM 1403 CG1 VAL B -2 -11.088 2.199 13.871 1.00 0.00 C ATOM 1404 CG2 VAL B -2 -11.740 1.160 11.688 1.00 0.00 C ATOM 0 H VAL B -2 -13.723 2.068 13.129 1.00 0.00 H new ATOM 0 HA VAL B -2 -12.227 4.385 12.817 1.00 0.00 H new ATOM 0 HB VAL B -2 -10.459 2.841 11.940 1.00 0.00 H new ATOM 0 HG11 VAL B -2 -10.298 1.454 13.968 1.00 0.00 H new ATOM 0 HG12 VAL B -2 -10.771 3.128 14.346 1.00 0.00 H new ATOM 0 HG13 VAL B -2 -11.993 1.833 14.356 1.00 0.00 H new ATOM 0 HG21 VAL B -2 -10.940 0.431 11.817 1.00 0.00 H new ATOM 0 HG22 VAL B -2 -12.663 0.764 12.111 1.00 0.00 H new ATOM 0 HG23 VAL B -2 -11.883 1.357 10.626 1.00 0.00 H new ATOM 1414 N TYR B -1 -12.343 5.149 10.458 1.00 0.00 N ATOM 1415 CA TYR B -1 -12.423 5.637 9.087 1.00 0.00 C ATOM 1416 C TYR B -1 -11.042 5.987 8.540 1.00 0.00 C ATOM 1417 O TYR B -1 -10.190 6.509 9.259 1.00 0.00 O ATOM 1418 CB TYR B -1 -13.333 6.863 9.016 1.00 0.00 C ATOM 1419 CG TYR B -1 -14.797 6.522 8.854 1.00 0.00 C ATOM 1420 CD1 TYR B -1 -15.314 6.174 7.614 1.00 0.00 C ATOM 1421 CD2 TYR B -1 -15.662 6.551 9.940 1.00 0.00 C ATOM 1422 CE1 TYR B -1 -16.651 5.864 7.460 1.00 0.00 C ATOM 1423 CE2 TYR B -1 -17.001 6.240 9.794 1.00 0.00 C ATOM 1424 CZ TYR B -1 -17.490 5.898 8.553 1.00 0.00 C ATOM 1425 OH TYR B -1 -18.822 5.589 8.403 1.00 0.00 O ATOM 0 H TYR B -1 -12.084 5.857 11.144 1.00 0.00 H new ATOM 0 HA TYR B -1 -12.841 4.839 8.473 1.00 0.00 H new ATOM 0 HB2 TYR B -1 -13.204 7.453 9.923 1.00 0.00 H new ATOM 0 HB3 TYR B -1 -13.020 7.490 8.181 1.00 0.00 H new ATOM 0 HD1 TYR B -1 -14.660 6.145 6.755 1.00 0.00 H new ATOM 0 HD2 TYR B -1 -15.282 6.821 10.914 1.00 0.00 H new ATOM 0 HE1 TYR B -1 -17.037 5.596 6.488 1.00 0.00 H new ATOM 0 HE2 TYR B -1 -17.660 6.265 10.649 1.00 0.00 H new ATOM 0 HH TYR B -1 -18.942 4.619 8.469 1.00 0.00 H new ATOM 1435 N ILE B 0 -10.835 5.699 7.259 1.00 0.00 N ATOM 1436 CA ILE B 0 -9.566 5.987 6.602 1.00 0.00 C ATOM 1437 C ILE B 0 -9.779 6.879 5.386 1.00 0.00 C ATOM 1438 O ILE B 0 -10.947 7.223 5.105 1.00 0.00 O ATOM 1439 CB ILE B 0 -8.844 4.696 6.166 1.00 0.00 C ATOM 1440 CG1 ILE B 0 -9.712 3.881 5.200 1.00 0.00 C ATOM 1441 CG2 ILE B 0 -8.481 3.861 7.385 1.00 0.00 C ATOM 1442 CD1 ILE B 0 -9.883 4.515 3.835 1.00 0.00 C ATOM 1443 OXT ILE B 0 -8.779 7.216 4.719 1.00 0.00 O ATOM 0 H ILE B 0 -11.532 5.265 6.654 1.00 0.00 H new ATOM 0 HA ILE B 0 -8.941 6.505 7.329 1.00 0.00 H new ATOM 0 HB ILE B 0 -7.929 4.976 5.644 1.00 0.00 H new ATOM 0 HG12 ILE B 0 -9.269 2.893 5.077 1.00 0.00 H new ATOM 0 HG13 ILE B 0 -10.696 3.736 5.647 1.00 0.00 H new ATOM 0 HG21 ILE B 0 -7.972 2.952 7.065 1.00 0.00 H new ATOM 0 HG22 ILE B 0 -7.823 4.435 8.037 1.00 0.00 H new ATOM 0 HG23 ILE B 0 -9.388 3.596 7.928 1.00 0.00 H new ATOM 0 HD11 ILE B 0 -10.510 3.876 3.213 1.00 0.00 H new ATOM 0 HD12 ILE B 0 -10.356 5.491 3.944 1.00 0.00 H new ATOM 0 HD13 ILE B 0 -8.907 4.635 3.365 1.00 0.00 H new