USER MOD reduce.3.24.130724 H: found=0, std=0, add=1101, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 1101 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 1 ALA N :NH3+ -173:sc= 0 (180deg=-0.0311) USER MOD Set 1.2: A 115 LYS NZ :NH3+ 144:sc= 0 (180deg=0) USER MOD Set 2.1: A 99 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 137 ASN : amide:sc= -1.78 X(o=-1.8,f=-1.4) USER MOD Set 3.1: A 36 MET CE :methyl 157:sc= -0.827 (180deg=-2.78!) USER MOD Set 3.2: A 72 MET CE :methyl 154:sc= -0.0348 (180deg=-0.143) USER MOD Set 4.1: A 41 GLN : amide:sc= 0 K(o=0,f=1.1) USER MOD Set 4.2: A 79 THR OG1 : rot -160:sc= 0 USER MOD Set 5.1: A 26 THR OG1 : rot -150:sc= 1.11 USER MOD Set 5.2: A 62 THR OG1 : rot 117:sc= 1.19 USER MOD Set 6.1: A 8 GLN : amide:sc= -0.147 K(o=-1.8,f=-7.3!) USER MOD Set 6.2: A 76 MET CE :methyl 166:sc= -1.66 (180deg=-1.33) USER MOD Single : A 3 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 SER OG : rot 107:sc= 0.00462 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 THR OG1 : rot -138:sc= 0.256 USER MOD Single : A 29 THR OG1 : rot 180:sc= 0.00581 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot 82:sc= 1.24 USER MOD Single : A 42 ASN : amide:sc= -3.6! C(o=-3.6!,f=-2.7!) USER MOD Single : A 44 THR OG1 : rot 129:sc= 1.31 USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 51 MET CE :methyl 162:sc= -5.72! (180deg=-6.51!) USER MOD Single : A 53 ASN : amide:sc= -0.138 X(o=-0.14,f=-0.01) USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 70 THR OG1 : rot 7:sc= 0.9 USER MOD Single : A 71 MET CE :methyl 155:sc= -3.94! (180deg=-5.13!) USER MOD Single : A 75 LYS NZ :NH3+ -128:sc= -0.127 (180deg=-2.18!) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 94 LYS NZ :NH3+ 160:sc= 1.39 (180deg=1.25) USER MOD Single : A 97 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 107 HIS : no HD1:sc= -0.816 K(o=-0.82,f=0.23) USER MOD Single : A 109 MET CE :methyl 137:sc= -3.22! (180deg=-6.48!) USER MOD Single : A 110 THR OG1 : rot 75:sc= 0.896 USER MOD Single : A 111 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 117 THR OG1 : rot 180:sc= 0 USER MOD Single : A 124 MET CE :methyl -139:sc= -5.73! (180deg=-7.89!) USER MOD Single : A 135 GLN : amide:sc= -0.0242 K(o=-0.024,f=-2) USER MOD Single : A 138 TYR OH : rot 180:sc= 0 USER MOD Single : A 143 GLN : amide:sc=-0.00238 X(o=-0.0024,f=-0.0024) USER MOD Single : A 144 MET CE :methyl -159:sc= -0.433 (180deg=-1.74) USER MOD Single : A 145 MET CE :methyl 150:sc= -1.8 (180deg=-5.78!) USER MOD Single : A 146 THR OG1 : rot 180:sc= 0 USER MOD Single : A 148 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 5.716 0.931 -7.478 1.00 7.58 N ATOM 2 CA ALA A 1 6.888 1.749 -7.066 1.00 7.12 C ATOM 3 C ALA A 1 7.223 2.811 -8.115 1.00 6.58 C ATOM 4 O ALA A 1 7.536 3.953 -7.767 1.00 7.05 O ATOM 5 CB ALA A 1 8.093 0.853 -6.814 1.00 7.53 C ATOM 0 H1 ALA A 1 5.441 0.301 -6.697 1.00 7.58 H new ATOM 0 H2 ALA A 1 4.921 1.558 -7.714 1.00 7.58 H new ATOM 0 H3 ALA A 1 5.966 0.361 -8.311 1.00 7.58 H new ATOM 0 HA ALA A 1 6.630 2.264 -6.141 1.00 7.12 H new ATOM 0 HB1 ALA A 1 8.944 1.464 -6.513 1.00 7.53 H new ATOM 0 HB2 ALA A 1 7.858 0.142 -6.022 1.00 7.53 H new ATOM 0 HB3 ALA A 1 8.340 0.311 -7.727 1.00 7.53 H new ATOM 13 N ASP A 2 7.153 2.423 -9.395 1.00 5.87 N ATOM 14 CA ASP A 2 7.447 3.332 -10.504 1.00 5.58 C ATOM 15 C ASP A 2 6.161 3.863 -11.129 1.00 5.24 C ATOM 16 O ASP A 2 5.194 3.117 -11.308 1.00 5.25 O ATOM 17 CB ASP A 2 8.290 2.625 -11.570 1.00 5.55 C ATOM 18 CG ASP A 2 9.709 2.352 -11.106 1.00 5.97 C ATOM 19 OD1 ASP A 2 9.948 1.270 -10.531 1.00 6.14 O ATOM 20 OD2 ASP A 2 10.581 3.222 -11.318 1.00 6.37 O ATOM 0 H ASP A 2 6.894 1.480 -9.686 1.00 5.87 H new ATOM 0 HA ASP A 2 8.013 4.174 -10.105 1.00 5.58 H new ATOM 0 HB2 ASP A 2 7.812 1.683 -11.840 1.00 5.55 H new ATOM 0 HB3 ASP A 2 8.318 3.238 -12.471 1.00 5.55 H new ATOM 25 N GLN A 3 6.163 5.172 -11.460 1.00 5.07 N ATOM 26 CA GLN A 3 5.009 5.873 -12.078 1.00 4.79 C ATOM 27 C GLN A 3 3.789 5.901 -11.173 1.00 4.43 C ATOM 28 O GLN A 3 3.580 5.015 -10.339 1.00 4.50 O ATOM 29 CB GLN A 3 4.648 5.281 -13.457 1.00 5.03 C ATOM 30 CG GLN A 3 5.660 5.594 -14.555 1.00 5.41 C ATOM 31 CD GLN A 3 5.501 6.993 -15.126 1.00 5.73 C ATOM 32 OE1 GLN A 3 6.107 7.947 -14.639 1.00 6.18 O ATOM 33 NE2 GLN A 3 4.682 7.119 -16.164 1.00 5.76 N ATOM 0 H GLN A 3 6.968 5.779 -11.306 1.00 5.07 H new ATOM 0 HA GLN A 3 5.329 6.905 -12.224 1.00 4.79 H new ATOM 0 HB2 GLN A 3 4.554 4.199 -13.362 1.00 5.03 H new ATOM 0 HB3 GLN A 3 3.672 5.661 -13.759 1.00 5.03 H new ATOM 0 HG2 GLN A 3 6.668 5.483 -14.155 1.00 5.41 H new ATOM 0 HG3 GLN A 3 5.554 4.865 -15.358 1.00 5.41 H new ATOM 0 HE21 GLN A 3 4.200 6.301 -16.536 1.00 5.76 H new ATOM 0 HE22 GLN A 3 4.535 8.034 -16.590 1.00 5.76 H new ATOM 42 N LEU A 4 2.994 6.948 -11.369 1.00 4.12 N ATOM 43 CA LEU A 4 1.805 7.193 -10.577 1.00 3.79 C ATOM 44 C LEU A 4 0.588 7.464 -11.461 1.00 3.73 C ATOM 45 O LEU A 4 0.732 7.859 -12.622 1.00 3.87 O ATOM 46 CB LEU A 4 2.103 8.393 -9.684 1.00 3.47 C ATOM 47 CG LEU A 4 1.570 8.307 -8.249 1.00 3.23 C ATOM 48 CD1 LEU A 4 2.565 7.598 -7.338 1.00 3.44 C ATOM 49 CD2 LEU A 4 1.257 9.697 -7.716 1.00 3.02 C ATOM 0 H LEU A 4 3.162 7.652 -12.088 1.00 4.12 H new ATOM 0 HA LEU A 4 1.562 6.314 -9.980 1.00 3.79 H new ATOM 0 HB2 LEU A 4 3.183 8.531 -9.642 1.00 3.47 H new ATOM 0 HB3 LEU A 4 1.686 9.284 -10.154 1.00 3.47 H new ATOM 0 HG LEU A 4 0.650 7.723 -8.263 1.00 3.23 H new ATOM 0 HD11 LEU A 4 2.162 7.551 -6.326 1.00 3.44 H new ATOM 0 HD12 LEU A 4 2.740 6.587 -7.707 1.00 3.44 H new ATOM 0 HD13 LEU A 4 3.506 8.148 -7.329 1.00 3.44 H new ATOM 0 HD21 LEU A 4 0.880 9.619 -6.696 1.00 3.02 H new ATOM 0 HD22 LEU A 4 2.164 10.302 -7.722 1.00 3.02 H new ATOM 0 HD23 LEU A 4 0.503 10.167 -8.347 1.00 3.02 H new ATOM 61 N THR A 5 -0.607 7.248 -10.898 1.00 3.61 N ATOM 62 CA THR A 5 -1.865 7.468 -11.622 1.00 3.63 C ATOM 63 C THR A 5 -2.413 8.879 -11.360 1.00 3.38 C ATOM 64 O THR A 5 -2.293 9.404 -10.249 1.00 3.11 O ATOM 65 CB THR A 5 -2.935 6.385 -11.272 1.00 3.77 C ATOM 66 OG1 THR A 5 -4.180 6.680 -11.920 1.00 3.69 O ATOM 67 CG2 THR A 5 -3.166 6.256 -9.763 1.00 4.13 C ATOM 0 H THR A 5 -0.729 6.920 -9.940 1.00 3.61 H new ATOM 0 HA THR A 5 -1.644 7.378 -12.685 1.00 3.63 H new ATOM 0 HB THR A 5 -2.545 5.433 -11.633 1.00 3.77 H new ATOM 0 HG1 THR A 5 -4.839 5.991 -11.692 1.00 3.69 H new ATOM 0 HG21 THR A 5 -3.918 5.490 -9.574 1.00 4.13 H new ATOM 0 HG22 THR A 5 -2.233 5.976 -9.275 1.00 4.13 H new ATOM 0 HG23 THR A 5 -3.512 7.210 -9.365 1.00 4.13 H new ATOM 75 N GLU A 6 -3.010 9.473 -12.401 1.00 3.50 N ATOM 76 CA GLU A 6 -3.578 10.829 -12.328 1.00 3.37 C ATOM 77 C GLU A 6 -4.975 10.864 -11.689 1.00 3.33 C ATOM 78 O GLU A 6 -5.424 11.926 -11.246 1.00 3.18 O ATOM 79 CB GLU A 6 -3.645 11.448 -13.729 1.00 3.63 C ATOM 80 CG GLU A 6 -2.290 11.865 -14.284 1.00 3.53 C ATOM 81 CD GLU A 6 -2.390 12.466 -15.672 1.00 3.85 C ATOM 82 OE1 GLU A 6 -2.300 11.704 -16.657 1.00 3.72 O ATOM 83 OE2 GLU A 6 -2.558 13.700 -15.774 1.00 4.59 O ATOM 0 H GLU A 6 -3.114 9.031 -13.315 1.00 3.50 H new ATOM 0 HA GLU A 6 -2.914 11.408 -11.687 1.00 3.37 H new ATOM 0 HB2 GLU A 6 -4.101 10.731 -14.411 1.00 3.63 H new ATOM 0 HB3 GLU A 6 -4.299 12.320 -13.700 1.00 3.63 H new ATOM 0 HG2 GLU A 6 -1.833 12.590 -13.610 1.00 3.53 H new ATOM 0 HG3 GLU A 6 -1.631 10.997 -14.314 1.00 3.53 H new ATOM 90 N GLU A 7 -5.654 9.707 -11.643 1.00 3.51 N ATOM 91 CA GLU A 7 -7.009 9.613 -11.094 1.00 3.59 C ATOM 92 C GLU A 7 -7.054 9.537 -9.569 1.00 3.35 C ATOM 93 O GLU A 7 -8.073 9.902 -8.976 1.00 3.38 O ATOM 94 CB GLU A 7 -7.755 8.418 -11.697 1.00 3.93 C ATOM 95 CG GLU A 7 -8.181 8.624 -13.144 1.00 4.45 C ATOM 96 CD GLU A 7 -8.917 7.427 -13.710 1.00 5.14 C ATOM 97 OE1 GLU A 7 -10.160 7.384 -13.592 1.00 5.54 O ATOM 98 OE2 GLU A 7 -8.252 6.532 -14.273 1.00 5.58 O ATOM 0 H GLU A 7 -5.281 8.821 -11.983 1.00 3.51 H new ATOM 0 HA GLU A 7 -7.505 10.542 -11.373 1.00 3.59 H new ATOM 0 HB2 GLU A 7 -7.117 7.536 -11.638 1.00 3.93 H new ATOM 0 HB3 GLU A 7 -8.639 8.212 -11.094 1.00 3.93 H new ATOM 0 HG2 GLU A 7 -8.821 9.504 -13.209 1.00 4.45 H new ATOM 0 HG3 GLU A 7 -7.300 8.826 -13.753 1.00 4.45 H new ATOM 105 N GLN A 8 -5.974 9.059 -8.924 1.00 3.16 N ATOM 106 CA GLN A 8 -5.937 8.991 -7.458 1.00 2.96 C ATOM 107 C GLN A 8 -6.018 10.393 -6.884 1.00 2.69 C ATOM 108 O GLN A 8 -6.613 10.613 -5.831 1.00 2.63 O ATOM 109 CB GLN A 8 -4.692 8.237 -6.964 1.00 2.87 C ATOM 110 CG GLN A 8 -4.808 7.695 -5.544 1.00 3.23 C ATOM 111 CD GLN A 8 -3.604 6.870 -5.135 1.00 3.13 C ATOM 112 OE1 GLN A 8 -2.632 7.396 -4.592 1.00 3.27 O ATOM 113 NE2 GLN A 8 -3.661 5.569 -5.395 1.00 3.29 N ATOM 0 H GLN A 8 -5.131 8.721 -9.388 1.00 3.16 H new ATOM 0 HA GLN A 8 -6.799 8.425 -7.106 1.00 2.96 H new ATOM 0 HB2 GLN A 8 -4.492 7.407 -7.642 1.00 2.87 H new ATOM 0 HB3 GLN A 8 -3.833 8.905 -7.016 1.00 2.87 H new ATOM 0 HG2 GLN A 8 -4.926 8.527 -4.850 1.00 3.23 H new ATOM 0 HG3 GLN A 8 -5.707 7.083 -5.465 1.00 3.23 H new ATOM 0 HE21 GLN A 8 -4.486 5.175 -5.847 1.00 3.29 H new ATOM 0 HE22 GLN A 8 -2.880 4.964 -5.143 1.00 3.29 H new ATOM 122 N ILE A 9 -5.401 11.323 -7.601 1.00 2.59 N ATOM 123 CA ILE A 9 -5.461 12.734 -7.291 1.00 2.41 C ATOM 124 C ILE A 9 -6.923 13.175 -7.363 1.00 2.64 C ATOM 125 O ILE A 9 -7.409 13.879 -6.476 1.00 2.55 O ATOM 126 CB ILE A 9 -4.569 13.508 -8.287 1.00 2.42 C ATOM 127 CG1 ILE A 9 -3.106 13.289 -7.906 1.00 2.20 C ATOM 128 CG2 ILE A 9 -4.928 14.984 -8.353 1.00 2.45 C ATOM 129 CD1 ILE A 9 -2.491 12.076 -8.565 1.00 2.35 C ATOM 0 H ILE A 9 -4.839 11.109 -8.425 1.00 2.59 H new ATOM 0 HA ILE A 9 -5.087 12.940 -6.288 1.00 2.41 H new ATOM 0 HB ILE A 9 -4.739 13.122 -9.292 1.00 2.42 H new ATOM 0 HG12 ILE A 9 -2.530 14.173 -8.180 1.00 2.20 H new ATOM 0 HG13 ILE A 9 -3.032 13.183 -6.824 1.00 2.20 H new ATOM 0 HG21 ILE A 9 -4.274 15.486 -9.066 1.00 2.45 H new ATOM 0 HG22 ILE A 9 -5.964 15.092 -8.673 1.00 2.45 H new ATOM 0 HG23 ILE A 9 -4.803 15.433 -7.368 1.00 2.45 H new ATOM 0 HD11 ILE A 9 -1.452 11.979 -8.251 1.00 2.35 H new ATOM 0 HD12 ILE A 9 -3.043 11.183 -8.271 1.00 2.35 H new ATOM 0 HD13 ILE A 9 -2.534 12.189 -9.648 1.00 2.35 H new ATOM 141 N ALA A 10 -7.610 12.737 -8.441 1.00 2.97 N ATOM 142 CA ALA A 10 -9.045 12.990 -8.614 1.00 3.26 C ATOM 143 C ALA A 10 -9.830 12.447 -7.426 1.00 3.27 C ATOM 144 O ALA A 10 -10.890 12.974 -7.078 1.00 3.43 O ATOM 145 CB ALA A 10 -9.550 12.397 -9.921 1.00 3.61 C ATOM 0 H ALA A 10 -7.187 12.206 -9.202 1.00 2.97 H new ATOM 0 HA ALA A 10 -9.199 14.068 -8.659 1.00 3.26 H new ATOM 0 HB1 ALA A 10 -10.616 12.599 -10.024 1.00 3.61 H new ATOM 0 HB2 ALA A 10 -9.013 12.847 -10.756 1.00 3.61 H new ATOM 0 HB3 ALA A 10 -9.383 11.320 -9.920 1.00 3.61 H new ATOM 151 N GLU A 11 -9.290 11.384 -6.812 1.00 3.14 N ATOM 152 CA GLU A 11 -9.877 10.801 -5.609 1.00 3.18 C ATOM 153 C GLU A 11 -9.478 11.610 -4.399 1.00 2.87 C ATOM 154 O GLU A 11 -10.223 11.704 -3.418 1.00 2.94 O ATOM 155 CB GLU A 11 -9.387 9.377 -5.414 1.00 3.24 C ATOM 156 CG GLU A 11 -10.454 8.324 -5.635 1.00 3.63 C ATOM 157 CD GLU A 11 -9.952 6.918 -5.374 1.00 3.78 C ATOM 158 OE1 GLU A 11 -9.453 6.280 -6.325 1.00 4.13 O ATOM 159 OE2 GLU A 11 -10.057 6.454 -4.219 1.00 3.90 O ATOM 0 H GLU A 11 -8.445 10.913 -7.135 1.00 3.14 H new ATOM 0 HA GLU A 11 -10.961 10.804 -5.725 1.00 3.18 H new ATOM 0 HB2 GLU A 11 -8.560 9.191 -6.099 1.00 3.24 H new ATOM 0 HB3 GLU A 11 -8.993 9.274 -4.403 1.00 3.24 H new ATOM 0 HG2 GLU A 11 -11.302 8.530 -4.982 1.00 3.63 H new ATOM 0 HG3 GLU A 11 -10.818 8.391 -6.660 1.00 3.63 H new ATOM 166 N PHE A 12 -8.286 12.192 -4.491 1.00 2.56 N ATOM 167 CA PHE A 12 -7.740 13.008 -3.422 1.00 2.24 C ATOM 168 C PHE A 12 -8.482 14.338 -3.280 1.00 2.30 C ATOM 169 O PHE A 12 -8.700 14.800 -2.156 1.00 2.22 O ATOM 170 CB PHE A 12 -6.242 13.248 -3.632 1.00 1.94 C ATOM 171 CG PHE A 12 -5.367 12.022 -3.441 1.00 1.85 C ATOM 172 CD1 PHE A 12 -5.886 10.816 -2.974 1.00 2.28 C ATOM 173 CD2 PHE A 12 -4.007 12.085 -3.714 1.00 2.07 C ATOM 174 CE1 PHE A 12 -5.076 9.729 -2.792 1.00 2.34 C ATOM 175 CE2 PHE A 12 -3.197 10.980 -3.529 1.00 2.03 C ATOM 176 CZ PHE A 12 -3.749 9.799 -3.063 1.00 1.90 C ATOM 0 H PHE A 12 -7.678 12.109 -5.306 1.00 2.56 H new ATOM 0 HA PHE A 12 -7.879 12.456 -2.493 1.00 2.24 H new ATOM 0 HB2 PHE A 12 -6.088 13.633 -4.640 1.00 1.94 H new ATOM 0 HB3 PHE A 12 -5.912 14.023 -2.941 1.00 1.94 H new ATOM 0 HD1 PHE A 12 -6.940 10.739 -2.753 1.00 2.28 H new ATOM 0 HD2 PHE A 12 -3.577 13.008 -4.075 1.00 2.07 H new ATOM 0 HE1 PHE A 12 -5.498 8.804 -2.428 1.00 2.34 H new ATOM 0 HE2 PHE A 12 -2.141 11.038 -3.747 1.00 2.03 H new ATOM 0 HZ PHE A 12 -3.122 8.932 -2.915 1.00 1.90 H new ATOM 186 N LYS A 13 -8.871 14.959 -4.417 1.00 2.51 N ATOM 187 CA LYS A 13 -9.607 16.235 -4.371 1.00 2.67 C ATOM 188 C LYS A 13 -11.061 16.027 -3.964 1.00 2.96 C ATOM 189 O LYS A 13 -11.720 16.971 -3.530 1.00 3.07 O ATOM 190 CB LYS A 13 -9.526 17.035 -5.686 1.00 2.86 C ATOM 191 CG LYS A 13 -9.523 16.203 -6.971 1.00 3.04 C ATOM 192 CD LYS A 13 -8.248 16.430 -7.789 1.00 2.93 C ATOM 193 CE LYS A 13 -8.297 17.723 -8.601 1.00 3.15 C ATOM 194 NZ LYS A 13 -7.068 17.910 -9.421 1.00 3.58 N ATOM 0 H LYS A 13 -8.691 14.604 -5.356 1.00 2.51 H new ATOM 0 HA LYS A 13 -9.110 16.833 -3.607 1.00 2.67 H new ATOM 0 HB2 LYS A 13 -10.370 17.724 -5.723 1.00 2.86 H new ATOM 0 HB3 LYS A 13 -8.620 17.641 -5.666 1.00 2.86 H new ATOM 0 HG2 LYS A 13 -9.611 15.146 -6.720 1.00 3.04 H new ATOM 0 HG3 LYS A 13 -10.393 16.462 -7.574 1.00 3.04 H new ATOM 0 HD2 LYS A 13 -7.390 16.459 -7.118 1.00 2.93 H new ATOM 0 HD3 LYS A 13 -8.098 15.587 -8.463 1.00 2.93 H new ATOM 0 HE2 LYS A 13 -9.170 17.709 -9.253 1.00 3.15 H new ATOM 0 HE3 LYS A 13 -8.416 18.571 -7.927 1.00 3.15 H new ATOM 0 HZ1 LYS A 13 -7.140 18.798 -9.957 1.00 3.58 H new ATOM 0 HZ2 LYS A 13 -6.237 17.949 -8.797 1.00 3.58 H new ATOM 0 HZ3 LYS A 13 -6.968 17.114 -10.082 1.00 3.58 H new ATOM 208 N GLU A 14 -11.566 14.790 -4.108 1.00 3.12 N ATOM 209 CA GLU A 14 -12.942 14.475 -3.706 1.00 3.43 C ATOM 210 C GLU A 14 -13.131 14.655 -2.189 1.00 3.34 C ATOM 211 O GLU A 14 -14.166 15.160 -1.745 1.00 3.56 O ATOM 212 CB GLU A 14 -13.308 13.040 -4.111 1.00 3.67 C ATOM 213 CG GLU A 14 -13.571 12.858 -5.603 1.00 4.07 C ATOM 214 CD GLU A 14 -14.956 13.321 -6.022 1.00 4.36 C ATOM 215 OE1 GLU A 14 -15.102 14.509 -6.381 1.00 4.71 O ATOM 216 OE2 GLU A 14 -15.893 12.495 -5.992 1.00 4.52 O ATOM 0 H GLU A 14 -11.047 14.002 -4.495 1.00 3.12 H new ATOM 0 HA GLU A 14 -13.605 15.169 -4.222 1.00 3.43 H new ATOM 0 HB2 GLU A 14 -12.499 12.373 -3.812 1.00 3.67 H new ATOM 0 HB3 GLU A 14 -14.195 12.733 -3.557 1.00 3.67 H new ATOM 0 HG2 GLU A 14 -12.822 13.412 -6.169 1.00 4.07 H new ATOM 0 HG3 GLU A 14 -13.452 11.806 -5.862 1.00 4.07 H new ATOM 223 N ALA A 15 -12.117 14.237 -1.409 1.00 3.04 N ATOM 224 CA ALA A 15 -12.160 14.336 0.056 1.00 2.97 C ATOM 225 C ALA A 15 -11.631 15.654 0.600 1.00 2.76 C ATOM 226 O ALA A 15 -12.350 16.356 1.311 1.00 2.91 O ATOM 227 CB ALA A 15 -11.402 13.175 0.702 1.00 2.84 C ATOM 0 H ALA A 15 -11.257 13.827 -1.773 1.00 3.04 H new ATOM 0 HA ALA A 15 -13.217 14.287 0.319 1.00 2.97 H new ATOM 0 HB1 ALA A 15 -11.448 13.270 1.787 1.00 2.84 H new ATOM 0 HB2 ALA A 15 -11.856 12.231 0.401 1.00 2.84 H new ATOM 0 HB3 ALA A 15 -10.361 13.196 0.379 1.00 2.84 H new ATOM 233 N PHE A 16 -10.361 15.970 0.294 1.00 2.45 N ATOM 234 CA PHE A 16 -9.712 17.200 0.774 1.00 2.28 C ATOM 235 C PHE A 16 -10.607 18.420 0.582 1.00 2.56 C ATOM 236 O PHE A 16 -10.726 19.263 1.469 1.00 2.60 O ATOM 237 CB PHE A 16 -8.387 17.419 0.028 1.00 2.02 C ATOM 238 CG PHE A 16 -7.461 18.460 0.626 1.00 1.86 C ATOM 239 CD1 PHE A 16 -7.806 19.811 0.648 1.00 2.18 C ATOM 240 CD2 PHE A 16 -6.230 18.082 1.143 1.00 2.17 C ATOM 241 CE1 PHE A 16 -6.937 20.747 1.186 1.00 2.21 C ATOM 242 CE2 PHE A 16 -5.368 19.009 1.676 1.00 2.07 C ATOM 243 CZ PHE A 16 -5.717 20.338 1.704 1.00 1.79 C ATOM 0 H PHE A 16 -9.761 15.385 -0.288 1.00 2.45 H new ATOM 0 HA PHE A 16 -9.524 17.079 1.841 1.00 2.28 H new ATOM 0 HB2 PHE A 16 -7.855 16.469 -0.017 1.00 2.02 H new ATOM 0 HB3 PHE A 16 -8.612 17.707 -0.999 1.00 2.02 H new ATOM 0 HD1 PHE A 16 -8.755 20.130 0.244 1.00 2.18 H new ATOM 0 HD2 PHE A 16 -5.945 17.041 1.126 1.00 2.17 H new ATOM 0 HE1 PHE A 16 -7.209 21.792 1.202 1.00 2.21 H new ATOM 0 HE2 PHE A 16 -4.415 18.693 2.074 1.00 2.07 H new ATOM 0 HZ PHE A 16 -5.041 21.065 2.130 1.00 1.79 H new ATOM 253 N SER A 17 -11.243 18.483 -0.578 1.00 2.80 N ATOM 254 CA SER A 17 -12.100 19.590 -0.921 1.00 3.11 C ATOM 255 C SER A 17 -13.418 19.589 -0.164 1.00 3.36 C ATOM 256 O SER A 17 -14.082 20.627 -0.088 1.00 3.59 O ATOM 257 CB SER A 17 -12.360 19.611 -2.419 1.00 3.33 C ATOM 258 OG SER A 17 -11.189 19.954 -3.140 1.00 3.30 O ATOM 0 H SER A 17 -11.175 17.767 -1.301 1.00 2.80 H new ATOM 0 HA SER A 17 -11.569 20.494 -0.623 1.00 3.11 H new ATOM 0 HB2 SER A 17 -12.715 18.633 -2.742 1.00 3.33 H new ATOM 0 HB3 SER A 17 -13.151 20.327 -2.643 1.00 3.33 H new ATOM 0 HG SER A 17 -10.834 19.157 -3.585 1.00 3.30 H new ATOM 264 N LEU A 18 -13.812 18.433 0.390 1.00 3.35 N ATOM 265 CA LEU A 18 -15.055 18.354 1.134 1.00 3.63 C ATOM 266 C LEU A 18 -14.917 19.092 2.459 1.00 3.56 C ATOM 267 O LEU A 18 -15.900 19.454 3.110 1.00 3.81 O ATOM 268 CB LEU A 18 -15.484 16.892 1.309 1.00 3.72 C ATOM 269 CG LEU A 18 -15.020 16.221 2.592 1.00 3.54 C ATOM 270 CD1 LEU A 18 -16.052 16.382 3.703 1.00 3.79 C ATOM 271 CD2 LEU A 18 -14.700 14.750 2.381 1.00 3.53 C ATOM 0 H LEU A 18 -13.290 17.559 0.333 1.00 3.35 H new ATOM 0 HA LEU A 18 -15.849 18.847 0.573 1.00 3.63 H new ATOM 0 HB2 LEU A 18 -16.572 16.844 1.268 1.00 3.72 H new ATOM 0 HB3 LEU A 18 -15.107 16.318 0.463 1.00 3.72 H new ATOM 0 HG LEU A 18 -14.101 16.722 2.895 1.00 3.54 H new ATOM 0 HD11 LEU A 18 -15.692 15.892 4.608 1.00 3.79 H new ATOM 0 HD12 LEU A 18 -16.209 17.442 3.903 1.00 3.79 H new ATOM 0 HD13 LEU A 18 -16.993 15.927 3.394 1.00 3.79 H new ATOM 0 HD21 LEU A 18 -14.373 14.310 3.323 1.00 3.53 H new ATOM 0 HD22 LEU A 18 -15.591 14.231 2.028 1.00 3.53 H new ATOM 0 HD23 LEU A 18 -13.907 14.653 1.640 1.00 3.53 H new ATOM 283 N PHE A 19 -13.665 19.290 2.811 1.00 3.24 N ATOM 284 CA PHE A 19 -13.280 19.994 4.024 1.00 3.16 C ATOM 285 C PHE A 19 -12.659 21.344 3.658 1.00 3.11 C ATOM 286 O PHE A 19 -12.225 22.101 4.533 1.00 3.07 O ATOM 287 CB PHE A 19 -12.278 19.158 4.830 1.00 2.89 C ATOM 288 CG PHE A 19 -12.760 17.778 5.217 1.00 3.01 C ATOM 289 CD1 PHE A 19 -13.762 17.606 6.166 1.00 3.31 C ATOM 290 CD2 PHE A 19 -12.201 16.653 4.631 1.00 3.27 C ATOM 291 CE1 PHE A 19 -14.193 16.339 6.515 1.00 3.50 C ATOM 292 CE2 PHE A 19 -12.629 15.387 4.979 1.00 3.41 C ATOM 293 CZ PHE A 19 -13.625 15.228 5.920 1.00 3.37 C ATOM 0 H PHE A 19 -12.872 18.964 2.258 1.00 3.24 H new ATOM 0 HA PHE A 19 -14.167 20.158 4.636 1.00 3.16 H new ATOM 0 HB2 PHE A 19 -11.362 19.056 4.248 1.00 2.89 H new ATOM 0 HB3 PHE A 19 -12.020 19.704 5.738 1.00 2.89 H new ATOM 0 HD1 PHE A 19 -14.208 18.470 6.635 1.00 3.31 H new ATOM 0 HD2 PHE A 19 -11.421 16.768 3.893 1.00 3.27 H new ATOM 0 HE1 PHE A 19 -14.973 16.218 7.252 1.00 3.50 H new ATOM 0 HE2 PHE A 19 -12.183 14.520 4.514 1.00 3.41 H new ATOM 0 HZ PHE A 19 -13.960 14.238 6.191 1.00 3.37 H new ATOM 303 N ALA A 20 -12.641 21.641 2.343 1.00 3.18 N ATOM 304 CA ALA A 20 -12.064 22.902 1.809 1.00 3.22 C ATOM 305 C ALA A 20 -12.780 24.171 2.338 1.00 3.51 C ATOM 306 O ALA A 20 -13.485 24.112 3.350 1.00 3.80 O ATOM 307 CB ALA A 20 -12.089 22.867 0.281 1.00 3.38 C ATOM 0 H ALA A 20 -13.020 21.025 1.624 1.00 3.18 H new ATOM 0 HA ALA A 20 -11.035 22.965 2.164 1.00 3.22 H new ATOM 0 HB1 ALA A 20 -11.666 23.792 -0.111 1.00 3.38 H new ATOM 0 HB2 ALA A 20 -11.501 22.020 -0.073 1.00 3.38 H new ATOM 0 HB3 ALA A 20 -13.118 22.764 -0.064 1.00 3.38 H new ATOM 313 N LYS A 21 -12.569 25.322 1.640 1.00 3.61 N ATOM 314 CA LYS A 21 -13.167 26.644 1.986 1.00 3.95 C ATOM 315 C LYS A 21 -12.508 27.307 3.208 1.00 3.96 C ATOM 316 O LYS A 21 -12.895 28.412 3.606 1.00 4.13 O ATOM 317 CB LYS A 21 -14.687 26.524 2.206 1.00 4.48 C ATOM 318 CG LYS A 21 -15.522 26.488 0.925 1.00 5.04 C ATOM 319 CD LYS A 21 -15.258 25.232 0.092 1.00 4.99 C ATOM 320 CE LYS A 21 -14.435 25.552 -1.144 1.00 5.12 C ATOM 321 NZ LYS A 21 -15.240 26.237 -2.196 1.00 5.47 N ATOM 0 H LYS A 21 -11.973 25.358 0.813 1.00 3.61 H new ATOM 0 HA LYS A 21 -12.976 27.291 1.130 1.00 3.95 H new ATOM 0 HB2 LYS A 21 -14.886 25.618 2.778 1.00 4.48 H new ATOM 0 HB3 LYS A 21 -15.019 27.365 2.815 1.00 4.48 H new ATOM 0 HG2 LYS A 21 -16.580 26.534 1.183 1.00 5.04 H new ATOM 0 HG3 LYS A 21 -15.301 27.371 0.326 1.00 5.04 H new ATOM 0 HD2 LYS A 21 -14.734 24.494 0.699 1.00 4.99 H new ATOM 0 HD3 LYS A 21 -16.206 24.785 -0.206 1.00 4.99 H new ATOM 0 HE2 LYS A 21 -13.593 26.185 -0.864 1.00 5.12 H new ATOM 0 HE3 LYS A 21 -14.019 24.630 -1.550 1.00 5.12 H new ATOM 0 HZ1 LYS A 21 -14.637 26.436 -3.020 1.00 5.47 H new ATOM 0 HZ2 LYS A 21 -16.029 25.624 -2.484 1.00 5.47 H new ATOM 0 HZ3 LYS A 21 -15.616 27.130 -1.819 1.00 5.47 H new ATOM 335 N ASP A 22 -11.505 26.634 3.785 1.00 4.12 N ATOM 336 CA ASP A 22 -10.774 27.133 4.962 1.00 4.45 C ATOM 337 C ASP A 22 -10.102 28.501 4.726 1.00 4.42 C ATOM 338 O ASP A 22 -10.275 29.419 5.533 1.00 4.77 O ATOM 339 CB ASP A 22 -9.725 26.109 5.410 1.00 4.96 C ATOM 340 CG ASP A 22 -10.341 24.918 6.117 1.00 5.21 C ATOM 341 OD1 ASP A 22 -10.624 25.028 7.329 1.00 5.70 O ATOM 342 OD2 ASP A 22 -10.541 23.876 5.461 1.00 5.20 O ATOM 0 H ASP A 22 -11.175 25.728 3.451 1.00 4.12 H new ATOM 0 HA ASP A 22 -11.516 27.276 5.747 1.00 4.45 H new ATOM 0 HB2 ASP A 22 -9.166 25.762 4.541 1.00 4.96 H new ATOM 0 HB3 ASP A 22 -9.011 26.593 6.076 1.00 4.96 H new ATOM 347 N GLY A 23 -9.343 28.627 3.625 1.00 4.20 N ATOM 348 CA GLY A 23 -8.661 29.883 3.316 1.00 4.32 C ATOM 349 C GLY A 23 -7.787 29.789 2.077 1.00 4.21 C ATOM 350 O GLY A 23 -8.230 30.130 0.976 1.00 4.37 O ATOM 0 H GLY A 23 -9.191 27.882 2.945 1.00 4.20 H new ATOM 0 HA2 GLY A 23 -9.403 30.668 3.173 1.00 4.32 H new ATOM 0 HA3 GLY A 23 -8.047 30.176 4.167 1.00 4.32 H new ATOM 354 N ASP A 24 -6.540 29.324 2.263 1.00 3.98 N ATOM 355 CA ASP A 24 -5.575 29.162 1.158 1.00 3.89 C ATOM 356 C ASP A 24 -5.858 27.870 0.367 1.00 3.62 C ATOM 357 O ASP A 24 -5.154 27.539 -0.594 1.00 3.56 O ATOM 358 CB ASP A 24 -4.146 29.144 1.719 1.00 3.77 C ATOM 359 CG ASP A 24 -3.107 29.580 0.700 1.00 4.13 C ATOM 360 OD1 ASP A 24 -2.584 28.708 -0.025 1.00 4.50 O ATOM 361 OD2 ASP A 24 -2.818 30.793 0.629 1.00 4.32 O ATOM 0 H ASP A 24 -6.173 29.051 3.175 1.00 3.98 H new ATOM 0 HA ASP A 24 -5.681 30.004 0.474 1.00 3.89 H new ATOM 0 HB2 ASP A 24 -4.094 29.800 2.588 1.00 3.77 H new ATOM 0 HB3 ASP A 24 -3.909 28.138 2.065 1.00 3.77 H new ATOM 366 N GLY A 25 -6.912 27.171 0.796 1.00 3.50 N ATOM 367 CA GLY A 25 -7.345 25.928 0.178 1.00 3.30 C ATOM 368 C GLY A 25 -6.693 24.779 0.878 1.00 2.90 C ATOM 369 O GLY A 25 -6.010 23.950 0.268 1.00 2.69 O ATOM 0 H GLY A 25 -7.488 27.458 1.587 1.00 3.50 H new ATOM 0 HA2 GLY A 25 -8.430 25.837 0.237 1.00 3.30 H new ATOM 0 HA3 GLY A 25 -7.081 25.922 -0.880 1.00 3.30 H new ATOM 373 N THR A 26 -6.930 24.756 2.190 1.00 2.85 N ATOM 374 CA THR A 26 -6.343 23.770 3.067 1.00 2.53 C ATOM 375 C THR A 26 -7.382 23.000 3.881 1.00 2.45 C ATOM 376 O THR A 26 -8.582 23.275 3.796 1.00 2.66 O ATOM 377 CB THR A 26 -5.356 24.432 4.037 1.00 2.59 C ATOM 378 OG1 THR A 26 -6.023 25.346 4.917 1.00 2.84 O ATOM 379 CG2 THR A 26 -4.290 25.146 3.267 1.00 2.74 C ATOM 0 H THR A 26 -7.536 25.425 2.665 1.00 2.85 H new ATOM 0 HA THR A 26 -5.828 23.061 2.419 1.00 2.53 H new ATOM 0 HB THR A 26 -4.903 23.650 4.647 1.00 2.59 H new ATOM 0 HG1 THR A 26 -5.408 26.067 5.167 1.00 2.84 H new ATOM 0 HG21 THR A 26 -3.592 25.614 3.961 1.00 2.74 H new ATOM 0 HG22 THR A 26 -3.755 24.433 2.640 1.00 2.74 H new ATOM 0 HG23 THR A 26 -4.746 25.911 2.639 1.00 2.74 H new ATOM 387 N ILE A 27 -6.890 22.034 4.680 1.00 2.21 N ATOM 388 CA ILE A 27 -7.744 21.202 5.550 1.00 2.22 C ATOM 389 C ILE A 27 -6.960 20.822 6.807 1.00 2.15 C ATOM 390 O ILE A 27 -5.859 21.312 7.014 1.00 2.13 O ATOM 391 CB ILE A 27 -8.309 19.921 4.849 1.00 2.13 C ATOM 392 CG1 ILE A 27 -7.174 18.963 4.457 1.00 1.82 C ATOM 393 CG2 ILE A 27 -9.182 20.303 3.654 1.00 2.31 C ATOM 394 CD1 ILE A 27 -7.645 17.559 4.141 1.00 1.79 C ATOM 0 H ILE A 27 -5.897 21.809 4.741 1.00 2.21 H new ATOM 0 HA ILE A 27 -8.616 21.803 5.807 1.00 2.22 H new ATOM 0 HB ILE A 27 -8.944 19.387 5.557 1.00 2.13 H new ATOM 0 HG12 ILE A 27 -6.654 19.366 3.588 1.00 1.82 H new ATOM 0 HG13 ILE A 27 -6.450 18.919 5.271 1.00 1.82 H new ATOM 0 HG21 ILE A 27 -9.565 19.399 3.180 1.00 2.31 H new ATOM 0 HG22 ILE A 27 -10.016 20.916 3.994 1.00 2.31 H new ATOM 0 HG23 ILE A 27 -8.588 20.866 2.934 1.00 2.31 H new ATOM 0 HD11 ILE A 27 -6.789 16.940 3.873 1.00 1.79 H new ATOM 0 HD12 ILE A 27 -8.139 17.136 5.015 1.00 1.79 H new ATOM 0 HD13 ILE A 27 -8.346 17.590 3.307 1.00 1.79 H new ATOM 406 N THR A 28 -7.539 19.982 7.652 1.00 2.23 N ATOM 407 CA THR A 28 -6.870 19.555 8.883 1.00 2.29 C ATOM 408 C THR A 28 -6.323 18.136 8.712 1.00 2.17 C ATOM 409 O THR A 28 -6.360 17.582 7.608 1.00 2.04 O ATOM 410 CB THR A 28 -7.799 19.659 10.126 1.00 2.57 C ATOM 411 OG1 THR A 28 -8.861 18.699 10.045 1.00 2.86 O ATOM 412 CG2 THR A 28 -8.395 21.058 10.272 1.00 3.10 C ATOM 0 H THR A 28 -8.467 19.581 7.513 1.00 2.23 H new ATOM 0 HA THR A 28 -6.038 20.235 9.066 1.00 2.29 H new ATOM 0 HB THR A 28 -7.184 19.452 11.002 1.00 2.57 H new ATOM 0 HG1 THR A 28 -9.700 19.114 10.336 1.00 2.86 H new ATOM 0 HG21 THR A 28 -9.038 21.090 11.152 1.00 3.10 H new ATOM 0 HG22 THR A 28 -7.591 21.786 10.383 1.00 3.10 H new ATOM 0 HG23 THR A 28 -8.982 21.298 9.385 1.00 3.10 H new ATOM 420 N THR A 29 -5.821 17.553 9.801 1.00 2.30 N ATOM 421 CA THR A 29 -5.204 16.231 9.748 1.00 2.30 C ATOM 422 C THR A 29 -6.161 15.057 9.932 1.00 2.50 C ATOM 423 O THR A 29 -6.115 14.099 9.157 1.00 2.44 O ATOM 424 CB THR A 29 -4.070 16.119 10.747 1.00 2.48 C ATOM 425 OG1 THR A 29 -4.460 16.638 12.027 1.00 2.75 O ATOM 426 CG2 THR A 29 -2.877 16.872 10.203 1.00 2.32 C ATOM 0 H THR A 29 -5.830 17.976 10.729 1.00 2.30 H new ATOM 0 HA THR A 29 -4.827 16.153 8.728 1.00 2.30 H new ATOM 0 HB THR A 29 -3.810 15.070 10.890 1.00 2.48 H new ATOM 0 HG1 THR A 29 -3.713 16.554 12.656 1.00 2.75 H new ATOM 0 HG21 THR A 29 -2.050 16.802 10.909 1.00 2.32 H new ATOM 0 HG22 THR A 29 -2.577 16.438 9.249 1.00 2.32 H new ATOM 0 HG23 THR A 29 -3.143 17.919 10.058 1.00 2.32 H new ATOM 434 N LYS A 30 -7.009 15.116 10.964 1.00 2.77 N ATOM 435 CA LYS A 30 -7.977 14.037 11.249 1.00 3.04 C ATOM 436 C LYS A 30 -8.862 13.718 10.033 1.00 2.98 C ATOM 437 O LYS A 30 -9.189 12.554 9.782 1.00 3.14 O ATOM 438 CB LYS A 30 -8.855 14.417 12.446 1.00 3.33 C ATOM 439 CG LYS A 30 -8.120 14.392 13.781 1.00 3.42 C ATOM 440 CD LYS A 30 -8.397 15.650 14.587 1.00 3.38 C ATOM 441 CE LYS A 30 -7.667 15.629 15.920 1.00 3.68 C ATOM 442 NZ LYS A 30 -7.933 16.858 16.718 1.00 3.70 N ATOM 0 H LYS A 30 -7.049 15.897 11.619 1.00 2.77 H new ATOM 0 HA LYS A 30 -7.403 13.141 11.485 1.00 3.04 H new ATOM 0 HB2 LYS A 30 -9.261 15.415 12.284 1.00 3.33 H new ATOM 0 HB3 LYS A 30 -9.702 13.733 12.495 1.00 3.33 H new ATOM 0 HG2 LYS A 30 -8.428 13.516 14.352 1.00 3.42 H new ATOM 0 HG3 LYS A 30 -7.048 14.298 13.607 1.00 3.42 H new ATOM 0 HD2 LYS A 30 -8.088 16.525 14.015 1.00 3.38 H new ATOM 0 HD3 LYS A 30 -9.469 15.744 14.759 1.00 3.38 H new ATOM 0 HE2 LYS A 30 -7.976 14.752 16.489 1.00 3.68 H new ATOM 0 HE3 LYS A 30 -6.595 15.534 15.746 1.00 3.68 H new ATOM 0 HZ1 LYS A 30 -7.417 16.805 17.620 1.00 3.70 H new ATOM 0 HZ2 LYS A 30 -7.615 17.693 16.186 1.00 3.70 H new ATOM 0 HZ3 LYS A 30 -8.953 16.935 16.907 1.00 3.70 H new ATOM 456 N GLU A 31 -9.236 14.767 9.294 1.00 2.81 N ATOM 457 CA GLU A 31 -10.080 14.640 8.099 1.00 2.81 C ATOM 458 C GLU A 31 -9.275 14.425 6.809 1.00 2.52 C ATOM 459 O GLU A 31 -9.865 14.066 5.784 1.00 2.57 O ATOM 460 CB GLU A 31 -10.975 15.879 7.956 1.00 2.89 C ATOM 461 CG GLU A 31 -12.036 16.014 9.046 1.00 3.24 C ATOM 462 CD GLU A 31 -11.514 16.685 10.303 1.00 3.22 C ATOM 463 OE1 GLU A 31 -11.202 15.966 11.274 1.00 3.26 O ATOM 464 OE2 GLU A 31 -11.422 17.930 10.316 1.00 3.60 O ATOM 0 H GLU A 31 -8.964 15.727 9.506 1.00 2.81 H new ATOM 0 HA GLU A 31 -10.691 13.748 8.240 1.00 2.81 H new ATOM 0 HB2 GLU A 31 -10.347 16.770 7.964 1.00 2.89 H new ATOM 0 HB3 GLU A 31 -11.470 15.846 6.985 1.00 2.89 H new ATOM 0 HG2 GLU A 31 -12.877 16.588 8.657 1.00 3.24 H new ATOM 0 HG3 GLU A 31 -12.416 15.024 9.300 1.00 3.24 H new ATOM 471 N LEU A 32 -7.939 14.633 6.838 1.00 2.26 N ATOM 472 CA LEU A 32 -7.129 14.443 5.621 1.00 1.98 C ATOM 473 C LEU A 32 -6.908 12.981 5.305 1.00 2.07 C ATOM 474 O LEU A 32 -6.825 12.598 4.142 1.00 1.98 O ATOM 475 CB LEU A 32 -5.802 15.197 5.650 1.00 1.69 C ATOM 476 CG LEU A 32 -4.756 14.899 6.726 1.00 1.74 C ATOM 477 CD1 LEU A 32 -3.945 13.636 6.458 1.00 1.76 C ATOM 478 CD2 LEU A 32 -3.835 16.070 6.729 1.00 1.59 C ATOM 0 H LEU A 32 -7.415 14.923 7.664 1.00 2.26 H new ATOM 0 HA LEU A 32 -7.720 14.879 4.815 1.00 1.98 H new ATOM 0 HB2 LEU A 32 -5.322 15.039 4.684 1.00 1.69 H new ATOM 0 HB3 LEU A 32 -6.038 16.259 5.718 1.00 1.69 H new ATOM 0 HG LEU A 32 -5.262 14.734 7.677 1.00 1.74 H new ATOM 0 HD11 LEU A 32 -3.224 13.489 7.262 1.00 1.76 H new ATOM 0 HD12 LEU A 32 -4.614 12.777 6.410 1.00 1.76 H new ATOM 0 HD13 LEU A 32 -3.416 13.738 5.510 1.00 1.76 H new ATOM 0 HD21 LEU A 32 -3.059 15.921 7.480 1.00 1.59 H new ATOM 0 HD22 LEU A 32 -3.374 16.173 5.747 1.00 1.59 H new ATOM 0 HD23 LEU A 32 -4.397 16.974 6.963 1.00 1.59 H new ATOM 490 N GLY A 33 -6.770 12.177 6.350 1.00 2.31 N ATOM 491 CA GLY A 33 -6.639 10.740 6.165 1.00 2.52 C ATOM 492 C GLY A 33 -7.885 10.168 5.550 1.00 2.75 C ATOM 493 O GLY A 33 -7.880 9.055 5.037 1.00 2.91 O ATOM 0 H GLY A 33 -6.746 12.490 7.321 1.00 2.31 H new ATOM 0 HA2 GLY A 33 -5.782 10.527 5.527 1.00 2.52 H new ATOM 0 HA3 GLY A 33 -6.448 10.261 7.125 1.00 2.52 H new ATOM 497 N THR A 34 -8.971 10.949 5.651 1.00 2.81 N ATOM 498 CA THR A 34 -10.247 10.602 5.056 1.00 3.07 C ATOM 499 C THR A 34 -10.115 10.663 3.544 1.00 2.93 C ATOM 500 O THR A 34 -10.930 10.131 2.789 1.00 3.16 O ATOM 501 CB THR A 34 -11.416 11.475 5.595 1.00 3.23 C ATOM 502 OG1 THR A 34 -11.337 11.552 7.023 1.00 3.30 O ATOM 503 CG2 THR A 34 -12.780 10.905 5.207 1.00 3.60 C ATOM 0 H THR A 34 -8.977 11.838 6.151 1.00 2.81 H new ATOM 0 HA THR A 34 -10.508 9.584 5.345 1.00 3.07 H new ATOM 0 HB THR A 34 -11.320 12.465 5.149 1.00 3.23 H new ATOM 0 HG1 THR A 34 -12.073 12.104 7.362 1.00 3.30 H new ATOM 0 HG21 THR A 34 -13.568 11.545 5.603 1.00 3.60 H new ATOM 0 HG22 THR A 34 -12.860 10.861 4.121 1.00 3.60 H new ATOM 0 HG23 THR A 34 -12.886 9.902 5.620 1.00 3.60 H new ATOM 511 N VAL A 35 -9.053 11.343 3.164 1.00 2.56 N ATOM 512 CA VAL A 35 -8.623 11.459 1.773 1.00 2.39 C ATOM 513 C VAL A 35 -7.786 10.222 1.491 1.00 2.44 C ATOM 514 O VAL A 35 -7.822 9.682 0.383 1.00 2.53 O ATOM 515 CB VAL A 35 -7.715 12.695 1.437 1.00 2.01 C ATOM 516 CG1 VAL A 35 -7.480 12.792 -0.064 1.00 1.92 C ATOM 517 CG2 VAL A 35 -8.272 14.020 1.930 1.00 2.02 C ATOM 0 H VAL A 35 -8.450 11.841 3.819 1.00 2.56 H new ATOM 0 HA VAL A 35 -9.527 11.574 1.174 1.00 2.39 H new ATOM 0 HB VAL A 35 -6.779 12.519 1.967 1.00 2.01 H new ATOM 0 HG11 VAL A 35 -6.849 13.654 -0.278 1.00 1.92 H new ATOM 0 HG12 VAL A 35 -6.987 11.885 -0.414 1.00 1.92 H new ATOM 0 HG13 VAL A 35 -8.436 12.906 -0.575 1.00 1.92 H new ATOM 0 HG21 VAL A 35 -7.589 14.825 1.660 1.00 2.02 H new ATOM 0 HG22 VAL A 35 -9.244 14.200 1.471 1.00 2.02 H new ATOM 0 HG23 VAL A 35 -8.384 13.987 3.014 1.00 2.02 H new ATOM 527 N MET A 36 -7.027 9.778 2.523 1.00 2.44 N ATOM 528 CA MET A 36 -6.171 8.619 2.371 1.00 2.55 C ATOM 529 C MET A 36 -6.940 7.306 2.543 1.00 2.97 C ATOM 530 O MET A 36 -6.548 6.276 1.987 1.00 3.11 O ATOM 531 CB MET A 36 -5.032 8.666 3.368 1.00 2.49 C ATOM 532 CG MET A 36 -3.718 8.116 2.824 1.00 2.24 C ATOM 533 SD MET A 36 -2.350 8.242 3.994 1.00 2.48 S ATOM 534 CE MET A 36 -1.887 9.965 3.814 1.00 1.96 C ATOM 0 H MET A 36 -7.003 10.209 3.447 1.00 2.44 H new ATOM 0 HA MET A 36 -5.776 8.650 1.356 1.00 2.55 H new ATOM 0 HB2 MET A 36 -4.880 9.698 3.685 1.00 2.49 H new ATOM 0 HB3 MET A 36 -5.314 8.099 4.255 1.00 2.49 H new ATOM 0 HG2 MET A 36 -3.856 7.070 2.549 1.00 2.24 H new ATOM 0 HG3 MET A 36 -3.457 8.653 1.912 1.00 2.24 H new ATOM 0 HE1 MET A 36 -1.369 10.298 4.713 1.00 1.96 H new ATOM 0 HE2 MET A 36 -1.228 10.077 2.953 1.00 1.96 H new ATOM 0 HE3 MET A 36 -2.782 10.569 3.666 1.00 1.96 H new ATOM 544 N ARG A 37 -8.018 7.345 3.339 1.00 3.18 N ATOM 545 CA ARG A 37 -8.831 6.181 3.600 1.00 3.60 C ATOM 546 C ARG A 37 -9.769 5.860 2.408 1.00 3.77 C ATOM 547 O ARG A 37 -10.281 4.743 2.290 1.00 4.10 O ATOM 548 CB ARG A 37 -9.591 6.428 4.925 1.00 3.78 C ATOM 549 CG ARG A 37 -11.048 5.996 4.953 1.00 4.18 C ATOM 550 CD ARG A 37 -11.185 4.500 5.199 1.00 4.52 C ATOM 551 NE ARG A 37 -12.555 4.026 4.976 1.00 4.90 N ATOM 552 CZ ARG A 37 -12.983 2.780 5.225 1.00 5.36 C ATOM 553 NH1 ARG A 37 -12.159 1.853 5.712 1.00 5.45 N ATOM 554 NH2 ARG A 37 -14.247 2.461 4.985 1.00 5.91 N ATOM 0 H ARG A 37 -8.338 8.190 3.812 1.00 3.18 H new ATOM 0 HA ARG A 37 -8.208 5.293 3.709 1.00 3.60 H new ATOM 0 HB2 ARG A 37 -9.064 5.908 5.725 1.00 3.78 H new ATOM 0 HB3 ARG A 37 -9.545 7.493 5.153 1.00 3.78 H new ATOM 0 HG2 ARG A 37 -11.575 6.543 5.734 1.00 4.18 H new ATOM 0 HG3 ARG A 37 -11.523 6.255 4.007 1.00 4.18 H new ATOM 0 HD2 ARG A 37 -10.504 3.961 4.540 1.00 4.52 H new ATOM 0 HD3 ARG A 37 -10.885 4.273 6.222 1.00 4.52 H new ATOM 0 HE ARG A 37 -13.231 4.693 4.604 1.00 4.90 H new ATOM 0 HH11 ARG A 37 -11.184 2.086 5.902 1.00 5.45 H new ATOM 0 HH12 ARG A 37 -12.503 0.910 5.895 1.00 5.45 H new ATOM 0 HH21 ARG A 37 -14.888 3.162 4.613 1.00 5.91 H new ATOM 0 HH22 ARG A 37 -14.579 1.515 5.172 1.00 5.91 H new ATOM 568 N SER A 38 -9.958 6.858 1.533 1.00 3.57 N ATOM 569 CA SER A 38 -10.839 6.752 0.351 1.00 3.76 C ATOM 570 C SER A 38 -10.313 5.791 -0.727 1.00 3.81 C ATOM 571 O SER A 38 -11.087 5.010 -1.287 1.00 4.08 O ATOM 572 CB SER A 38 -11.046 8.136 -0.268 1.00 3.59 C ATOM 573 OG SER A 38 -11.819 8.966 0.581 1.00 3.89 O ATOM 0 H SER A 38 -9.504 7.767 1.622 1.00 3.57 H new ATOM 0 HA SER A 38 -11.782 6.340 0.711 1.00 3.76 H new ATOM 0 HB2 SER A 38 -10.079 8.602 -0.454 1.00 3.59 H new ATOM 0 HB3 SER A 38 -11.543 8.035 -1.233 1.00 3.59 H new ATOM 0 HG SER A 38 -11.241 9.362 1.266 1.00 3.89 H new ATOM 579 N LEU A 39 -9.001 5.853 -1.012 1.00 3.59 N ATOM 580 CA LEU A 39 -8.370 4.993 -2.043 1.00 3.65 C ATOM 581 C LEU A 39 -8.302 3.521 -1.605 1.00 3.91 C ATOM 582 O LEU A 39 -7.998 2.638 -2.416 1.00 4.06 O ATOM 583 CB LEU A 39 -6.924 5.455 -2.399 1.00 3.29 C ATOM 584 CG LEU A 39 -6.520 6.931 -2.240 1.00 3.06 C ATOM 585 CD1 LEU A 39 -7.467 7.891 -2.950 1.00 2.78 C ATOM 586 CD2 LEU A 39 -6.339 7.312 -0.780 1.00 3.19 C ATOM 0 H LEU A 39 -8.352 6.488 -0.546 1.00 3.59 H new ATOM 0 HA LEU A 39 -9.008 5.088 -2.921 1.00 3.65 H new ATOM 0 HB2 LEU A 39 -6.238 4.865 -1.791 1.00 3.29 H new ATOM 0 HB3 LEU A 39 -6.744 5.181 -3.439 1.00 3.29 H new ATOM 0 HG LEU A 39 -5.554 7.030 -2.735 1.00 3.06 H new ATOM 0 HD11 LEU A 39 -7.127 8.916 -2.799 1.00 2.78 H new ATOM 0 HD12 LEU A 39 -7.481 7.666 -4.016 1.00 2.78 H new ATOM 0 HD13 LEU A 39 -8.472 7.779 -2.543 1.00 2.78 H new ATOM 0 HD21 LEU A 39 -6.054 8.362 -0.711 1.00 3.19 H new ATOM 0 HD22 LEU A 39 -7.275 7.154 -0.244 1.00 3.19 H new ATOM 0 HD23 LEU A 39 -5.558 6.694 -0.337 1.00 3.19 H new ATOM 598 N GLY A 40 -8.595 3.276 -0.329 1.00 4.01 N ATOM 599 CA GLY A 40 -8.537 1.932 0.228 1.00 4.30 C ATOM 600 C GLY A 40 -7.293 1.742 1.074 1.00 4.16 C ATOM 601 O GLY A 40 -6.739 0.642 1.145 1.00 4.36 O ATOM 0 H GLY A 40 -8.875 3.995 0.338 1.00 4.01 H new ATOM 0 HA2 GLY A 40 -9.424 1.748 0.834 1.00 4.30 H new ATOM 0 HA3 GLY A 40 -8.546 1.200 -0.580 1.00 4.30 H new ATOM 605 N GLN A 41 -6.866 2.838 1.714 1.00 3.86 N ATOM 606 CA GLN A 41 -5.678 2.865 2.566 1.00 3.74 C ATOM 607 C GLN A 41 -5.977 3.741 3.780 1.00 3.60 C ATOM 608 O GLN A 41 -7.088 4.240 3.908 1.00 3.46 O ATOM 609 CB GLN A 41 -4.468 3.435 1.789 1.00 3.47 C ATOM 610 CG GLN A 41 -4.022 2.602 0.589 1.00 3.68 C ATOM 611 CD GLN A 41 -3.196 1.389 0.982 1.00 3.94 C ATOM 612 OE1 GLN A 41 -3.733 0.307 1.218 1.00 4.34 O ATOM 613 NE2 GLN A 41 -1.882 1.566 1.053 1.00 4.15 N ATOM 0 H GLN A 41 -7.342 3.738 1.652 1.00 3.86 H new ATOM 0 HA GLN A 41 -5.430 1.852 2.884 1.00 3.74 H new ATOM 0 HB2 GLN A 41 -4.717 4.438 1.444 1.00 3.47 H new ATOM 0 HB3 GLN A 41 -3.628 3.534 2.476 1.00 3.47 H new ATOM 0 HG2 GLN A 41 -4.901 2.272 0.036 1.00 3.68 H new ATOM 0 HG3 GLN A 41 -3.438 3.229 -0.085 1.00 3.68 H new ATOM 0 HE21 GLN A 41 -1.479 2.480 0.849 1.00 4.15 H new ATOM 0 HE22 GLN A 41 -1.276 0.788 1.312 1.00 4.15 H new ATOM 622 N ASN A 42 -5.006 3.904 4.684 1.00 3.76 N ATOM 623 CA ASN A 42 -5.181 4.750 5.859 1.00 3.68 C ATOM 624 C ASN A 42 -3.806 5.234 6.370 1.00 3.53 C ATOM 625 O ASN A 42 -2.833 4.479 6.274 1.00 3.67 O ATOM 626 CB ASN A 42 -5.908 4.006 6.994 1.00 4.06 C ATOM 627 CG ASN A 42 -7.411 3.957 6.802 1.00 4.60 C ATOM 628 OD1 ASN A 42 -7.938 3.042 6.169 1.00 4.82 O ATOM 629 ND2 ASN A 42 -8.110 4.944 7.350 1.00 5.19 N ATOM 0 H ASN A 42 -4.091 3.458 4.620 1.00 3.76 H new ATOM 0 HA ASN A 42 -5.792 5.602 5.561 1.00 3.68 H new ATOM 0 HB2 ASN A 42 -5.522 2.989 7.060 1.00 4.06 H new ATOM 0 HB3 ASN A 42 -5.684 4.494 7.943 1.00 4.06 H new ATOM 0 HD21 ASN A 42 -9.125 4.964 7.255 1.00 5.19 H new ATOM 0 HD22 ASN A 42 -7.632 5.682 7.866 1.00 5.19 H new ATOM 636 N PRO A 43 -3.682 6.483 6.921 1.00 3.30 N ATOM 637 CA PRO A 43 -2.402 7.004 7.432 1.00 3.22 C ATOM 638 C PRO A 43 -2.151 6.660 8.907 1.00 3.54 C ATOM 639 O PRO A 43 -3.032 6.119 9.583 1.00 3.81 O ATOM 640 CB PRO A 43 -2.549 8.527 7.264 1.00 2.89 C ATOM 641 CG PRO A 43 -3.972 8.782 6.860 1.00 2.92 C ATOM 642 CD PRO A 43 -4.735 7.504 7.083 1.00 3.17 C ATOM 0 HA PRO A 43 -1.556 6.569 6.899 1.00 3.22 H new ATOM 0 HB2 PRO A 43 -2.313 9.043 8.194 1.00 2.89 H new ATOM 0 HB3 PRO A 43 -1.859 8.901 6.508 1.00 2.89 H new ATOM 0 HG2 PRO A 43 -4.400 9.593 7.450 1.00 2.92 H new ATOM 0 HG3 PRO A 43 -4.026 9.085 5.814 1.00 2.92 H new ATOM 0 HD2 PRO A 43 -5.189 7.468 8.073 1.00 3.17 H new ATOM 0 HD3 PRO A 43 -5.540 7.378 6.359 1.00 3.17 H new ATOM 650 N THR A 44 -0.939 6.982 9.390 1.00 3.56 N ATOM 651 CA THR A 44 -0.554 6.742 10.788 1.00 3.90 C ATOM 652 C THR A 44 -1.025 7.908 11.671 1.00 3.85 C ATOM 653 O THR A 44 -1.296 8.999 11.166 1.00 3.54 O ATOM 654 CB THR A 44 0.979 6.561 10.936 1.00 4.01 C ATOM 655 OG1 THR A 44 1.524 5.958 9.754 1.00 3.86 O ATOM 656 CG2 THR A 44 1.320 5.687 12.140 1.00 4.50 C ATOM 0 H THR A 44 -0.206 7.412 8.827 1.00 3.56 H new ATOM 0 HA THR A 44 -1.036 5.819 11.110 1.00 3.90 H new ATOM 0 HB THR A 44 1.414 7.550 11.083 1.00 4.01 H new ATOM 0 HG1 THR A 44 2.285 6.489 9.437 1.00 3.86 H new ATOM 0 HG21 THR A 44 2.402 5.579 12.217 1.00 4.50 H new ATOM 0 HG22 THR A 44 0.937 6.153 13.048 1.00 4.50 H new ATOM 0 HG23 THR A 44 0.865 4.704 12.017 1.00 4.50 H new ATOM 664 N GLU A 45 -1.111 7.667 12.985 1.00 4.21 N ATOM 665 CA GLU A 45 -1.573 8.684 13.946 1.00 4.27 C ATOM 666 C GLU A 45 -0.488 9.706 14.316 1.00 4.16 C ATOM 667 O GLU A 45 -0.807 10.849 14.655 1.00 4.02 O ATOM 668 CB GLU A 45 -2.092 8.008 15.220 1.00 4.73 C ATOM 669 CG GLU A 45 -3.441 7.324 15.050 1.00 4.87 C ATOM 670 CD GLU A 45 -3.927 6.669 16.328 1.00 5.41 C ATOM 671 OE1 GLU A 45 -4.629 7.344 17.111 1.00 5.67 O ATOM 672 OE2 GLU A 45 -3.607 5.482 16.545 1.00 5.89 O ATOM 0 H GLU A 45 -0.866 6.773 13.411 1.00 4.21 H new ATOM 0 HA GLU A 45 -2.375 9.232 13.452 1.00 4.27 H new ATOM 0 HB2 GLU A 45 -1.361 7.271 15.552 1.00 4.73 H new ATOM 0 HB3 GLU A 45 -2.172 8.755 16.009 1.00 4.73 H new ATOM 0 HG2 GLU A 45 -4.177 8.057 14.719 1.00 4.87 H new ATOM 0 HG3 GLU A 45 -3.366 6.571 14.266 1.00 4.87 H new ATOM 679 N ALA A 46 0.783 9.292 14.248 1.00 4.29 N ATOM 680 CA ALA A 46 1.908 10.167 14.603 1.00 4.30 C ATOM 681 C ALA A 46 2.496 10.918 13.403 1.00 3.96 C ATOM 682 O ALA A 46 3.167 11.937 13.586 1.00 3.93 O ATOM 683 CB ALA A 46 2.999 9.360 15.286 1.00 4.70 C ATOM 0 H ALA A 46 1.059 8.356 13.950 1.00 4.29 H new ATOM 0 HA ALA A 46 1.511 10.921 15.283 1.00 4.30 H new ATOM 0 HB1 ALA A 46 3.829 10.017 15.546 1.00 4.70 H new ATOM 0 HB2 ALA A 46 2.601 8.903 16.192 1.00 4.70 H new ATOM 0 HB3 ALA A 46 3.351 8.580 14.611 1.00 4.70 H new ATOM 689 N GLU A 47 2.247 10.419 12.183 1.00 3.76 N ATOM 690 CA GLU A 47 2.784 11.034 10.968 1.00 3.47 C ATOM 691 C GLU A 47 1.966 12.214 10.468 1.00 3.09 C ATOM 692 O GLU A 47 2.529 13.133 9.867 1.00 2.91 O ATOM 693 CB GLU A 47 2.947 9.993 9.856 1.00 3.43 C ATOM 694 CG GLU A 47 4.133 9.061 10.057 1.00 3.78 C ATOM 695 CD GLU A 47 4.343 8.122 8.885 1.00 3.77 C ATOM 696 OE1 GLU A 47 3.894 6.960 8.968 1.00 3.72 O ATOM 697 OE2 GLU A 47 4.955 8.550 7.885 1.00 4.19 O ATOM 0 H GLU A 47 1.676 9.590 12.015 1.00 3.76 H new ATOM 0 HA GLU A 47 3.762 11.430 11.243 1.00 3.47 H new ATOM 0 HB2 GLU A 47 2.036 9.398 9.792 1.00 3.43 H new ATOM 0 HB3 GLU A 47 3.059 10.508 8.902 1.00 3.43 H new ATOM 0 HG2 GLU A 47 5.035 9.654 10.208 1.00 3.78 H new ATOM 0 HG3 GLU A 47 3.981 8.476 10.964 1.00 3.78 H new ATOM 704 N LEU A 48 0.648 12.199 10.708 1.00 3.03 N ATOM 705 CA LEU A 48 -0.239 13.305 10.286 1.00 2.71 C ATOM 706 C LEU A 48 0.233 14.634 10.861 1.00 2.75 C ATOM 707 O LEU A 48 -0.072 15.697 10.332 1.00 2.53 O ATOM 708 CB LEU A 48 -1.678 13.098 10.737 1.00 2.77 C ATOM 709 CG LEU A 48 -2.268 11.709 10.535 1.00 2.90 C ATOM 710 CD1 LEU A 48 -3.208 11.354 11.678 1.00 3.19 C ATOM 711 CD2 LEU A 48 -2.997 11.664 9.213 1.00 2.63 C ATOM 0 H LEU A 48 0.168 11.439 11.190 1.00 3.03 H new ATOM 0 HA LEU A 48 -0.198 13.318 9.197 1.00 2.71 H new ATOM 0 HB2 LEU A 48 -1.740 13.342 11.797 1.00 2.77 H new ATOM 0 HB3 LEU A 48 -2.306 13.814 10.207 1.00 2.77 H new ATOM 0 HG LEU A 48 -1.462 10.975 10.525 1.00 2.90 H new ATOM 0 HD11 LEU A 48 -3.619 10.358 11.515 1.00 3.19 H new ATOM 0 HD12 LEU A 48 -2.659 11.370 12.619 1.00 3.19 H new ATOM 0 HD13 LEU A 48 -4.020 12.079 11.720 1.00 3.19 H new ATOM 0 HD21 LEU A 48 -3.421 10.671 9.065 1.00 2.63 H new ATOM 0 HD22 LEU A 48 -3.798 12.404 9.214 1.00 2.63 H new ATOM 0 HD23 LEU A 48 -2.299 11.885 8.405 1.00 2.63 H new ATOM 723 N GLN A 49 0.941 14.541 11.978 1.00 3.08 N ATOM 724 CA GLN A 49 1.499 15.702 12.653 1.00 3.22 C ATOM 725 C GLN A 49 2.862 16.093 12.074 1.00 3.25 C ATOM 726 O GLN A 49 3.161 17.282 11.986 1.00 3.25 O ATOM 727 CB GLN A 49 1.644 15.425 14.152 1.00 3.61 C ATOM 728 CG GLN A 49 0.323 15.399 14.908 1.00 3.67 C ATOM 729 CD GLN A 49 0.503 15.128 16.388 1.00 4.10 C ATOM 730 OE1 GLN A 49 0.661 16.052 17.186 1.00 4.58 O ATOM 731 NE2 GLN A 49 0.480 13.854 16.764 1.00 4.30 N ATOM 0 H GLN A 49 1.144 13.656 12.442 1.00 3.08 H new ATOM 0 HA GLN A 49 0.810 16.532 12.496 1.00 3.22 H new ATOM 0 HB2 GLN A 49 2.147 14.467 14.287 1.00 3.61 H new ATOM 0 HB3 GLN A 49 2.287 16.188 14.591 1.00 3.61 H new ATOM 0 HG2 GLN A 49 -0.185 16.354 14.777 1.00 3.67 H new ATOM 0 HG3 GLN A 49 -0.322 14.633 14.478 1.00 3.67 H new ATOM 0 HE21 GLN A 49 0.346 13.119 16.069 1.00 4.30 H new ATOM 0 HE22 GLN A 49 0.596 13.610 17.748 1.00 4.30 H new ATOM 740 N ASP A 50 3.689 15.094 11.695 1.00 3.34 N ATOM 741 CA ASP A 50 5.035 15.376 11.167 1.00 3.43 C ATOM 742 C ASP A 50 5.128 15.589 9.643 1.00 3.13 C ATOM 743 O ASP A 50 5.631 16.629 9.217 1.00 3.13 O ATOM 744 CB ASP A 50 6.034 14.314 11.582 1.00 3.76 C ATOM 745 CG ASP A 50 6.192 14.196 13.088 1.00 4.11 C ATOM 746 OD1 ASP A 50 5.449 13.402 13.703 1.00 4.38 O ATOM 747 OD2 ASP A 50 7.059 14.898 13.651 1.00 4.38 O ATOM 0 H ASP A 50 3.451 14.103 11.745 1.00 3.34 H new ATOM 0 HA ASP A 50 5.282 16.336 11.621 1.00 3.43 H new ATOM 0 HB2 ASP A 50 5.719 13.351 11.180 1.00 3.76 H new ATOM 0 HB3 ASP A 50 7.003 14.543 11.138 1.00 3.76 H new ATOM 752 N MET A 51 4.689 14.617 8.802 1.00 2.93 N ATOM 753 CA MET A 51 4.808 14.794 7.327 1.00 2.66 C ATOM 754 C MET A 51 3.940 15.931 6.843 1.00 2.39 C ATOM 755 O MET A 51 4.286 16.628 5.885 1.00 2.30 O ATOM 756 CB MET A 51 4.578 13.501 6.516 1.00 2.59 C ATOM 757 CG MET A 51 3.486 12.584 7.031 1.00 2.35 C ATOM 758 SD MET A 51 1.862 13.000 6.396 1.00 2.18 S ATOM 759 CE MET A 51 0.919 11.849 7.367 1.00 2.48 C ATOM 0 H MET A 51 4.267 13.738 9.100 1.00 2.93 H new ATOM 0 HA MET A 51 5.849 15.058 7.141 1.00 2.66 H new ATOM 0 HB2 MET A 51 4.340 13.777 5.489 1.00 2.59 H new ATOM 0 HB3 MET A 51 5.513 12.941 6.488 1.00 2.59 H new ATOM 0 HG2 MET A 51 3.724 11.556 6.758 1.00 2.35 H new ATOM 0 HG3 MET A 51 3.466 12.628 8.120 1.00 2.35 H new ATOM 0 HE1 MET A 51 -0.129 12.149 7.370 1.00 2.48 H new ATOM 0 HE2 MET A 51 1.010 10.851 6.938 1.00 2.48 H new ATOM 0 HE3 MET A 51 1.297 11.840 8.389 1.00 2.48 H new ATOM 769 N ILE A 52 2.832 16.126 7.538 1.00 2.33 N ATOM 770 CA ILE A 52 1.923 17.222 7.270 1.00 2.15 C ATOM 771 C ILE A 52 2.552 18.524 7.760 1.00 2.40 C ATOM 772 O ILE A 52 2.209 19.602 7.303 1.00 2.36 O ATOM 773 CB ILE A 52 0.553 16.943 7.936 1.00 2.10 C ATOM 774 CG1 ILE A 52 -0.394 16.348 6.909 1.00 1.78 C ATOM 775 CG2 ILE A 52 -0.068 18.173 8.596 1.00 2.22 C ATOM 776 CD1 ILE A 52 -0.766 14.915 7.196 1.00 1.85 C ATOM 0 H ILE A 52 2.538 15.524 8.307 1.00 2.33 H new ATOM 0 HA ILE A 52 1.746 17.318 6.199 1.00 2.15 H new ATOM 0 HB ILE A 52 0.727 16.232 8.744 1.00 2.10 H new ATOM 0 HG12 ILE A 52 -1.302 16.950 6.871 1.00 1.78 H new ATOM 0 HG13 ILE A 52 0.068 16.405 5.924 1.00 1.78 H new ATOM 0 HG21 ILE A 52 -1.025 17.903 9.041 1.00 2.22 H new ATOM 0 HG22 ILE A 52 0.601 18.546 9.372 1.00 2.22 H new ATOM 0 HG23 ILE A 52 -0.223 18.949 7.846 1.00 2.22 H new ATOM 0 HD11 ILE A 52 -1.444 14.553 6.423 1.00 1.85 H new ATOM 0 HD12 ILE A 52 0.134 14.300 7.205 1.00 1.85 H new ATOM 0 HD13 ILE A 52 -1.257 14.854 8.167 1.00 1.85 H new ATOM 788 N ASN A 53 3.503 18.378 8.680 1.00 2.72 N ATOM 789 CA ASN A 53 4.238 19.497 9.257 1.00 3.03 C ATOM 790 C ASN A 53 5.254 20.035 8.286 1.00 3.09 C ATOM 791 O ASN A 53 5.874 21.077 8.487 1.00 3.36 O ATOM 792 CB ASN A 53 4.918 19.041 10.551 1.00 3.37 C ATOM 793 CG ASN A 53 5.479 20.179 11.392 1.00 3.66 C ATOM 794 OD1 ASN A 53 4.790 20.728 12.252 1.00 3.89 O ATOM 795 ND2 ASN A 53 6.733 20.536 11.143 1.00 3.98 N ATOM 0 H ASN A 53 3.786 17.470 9.048 1.00 2.72 H new ATOM 0 HA ASN A 53 3.538 20.302 9.480 1.00 3.03 H new ATOM 0 HB2 ASN A 53 4.199 18.482 11.149 1.00 3.37 H new ATOM 0 HB3 ASN A 53 5.727 18.355 10.301 1.00 3.37 H new ATOM 0 HD21 ASN A 53 7.163 21.293 11.674 1.00 3.98 H new ATOM 0 HD22 ASN A 53 7.267 20.053 10.421 1.00 3.98 H new ATOM 802 N GLU A 54 5.439 19.250 7.287 1.00 2.90 N ATOM 803 CA GLU A 54 6.325 19.571 6.181 1.00 2.96 C ATOM 804 C GLU A 54 5.573 20.354 5.105 1.00 2.77 C ATOM 805 O GLU A 54 6.188 21.022 4.268 1.00 2.93 O ATOM 806 CB GLU A 54 6.917 18.288 5.586 1.00 2.91 C ATOM 807 CG GLU A 54 7.929 17.600 6.492 1.00 3.22 C ATOM 808 CD GLU A 54 8.451 16.303 5.904 1.00 3.25 C ATOM 809 OE1 GLU A 54 7.840 15.245 6.165 1.00 3.56 O ATOM 810 OE2 GLU A 54 9.469 16.346 5.182 1.00 3.40 O ATOM 0 H GLU A 54 4.979 18.344 7.195 1.00 2.90 H new ATOM 0 HA GLU A 54 7.139 20.191 6.557 1.00 2.96 H new ATOM 0 HB2 GLU A 54 6.107 17.592 5.368 1.00 2.91 H new ATOM 0 HB3 GLU A 54 7.397 18.527 4.637 1.00 2.91 H new ATOM 0 HG2 GLU A 54 8.766 18.275 6.674 1.00 3.22 H new ATOM 0 HG3 GLU A 54 7.467 17.397 7.458 1.00 3.22 H new ATOM 817 N VAL A 55 4.238 20.260 5.143 1.00 2.49 N ATOM 818 CA VAL A 55 3.382 20.942 4.167 1.00 2.36 C ATOM 819 C VAL A 55 2.295 21.807 4.812 1.00 2.40 C ATOM 820 O VAL A 55 1.782 22.728 4.166 1.00 2.49 O ATOM 821 CB VAL A 55 2.760 19.922 3.158 1.00 1.99 C ATOM 822 CG1 VAL A 55 1.812 20.586 2.158 1.00 2.37 C ATOM 823 CG2 VAL A 55 3.857 19.175 2.410 1.00 2.07 C ATOM 0 H VAL A 55 3.728 19.718 5.840 1.00 2.49 H new ATOM 0 HA VAL A 55 4.031 21.626 3.620 1.00 2.36 H new ATOM 0 HB VAL A 55 2.172 19.218 3.748 1.00 1.99 H new ATOM 0 HG11 VAL A 55 1.409 19.832 1.482 1.00 2.37 H new ATOM 0 HG12 VAL A 55 0.994 21.065 2.695 1.00 2.37 H new ATOM 0 HG13 VAL A 55 2.356 21.335 1.583 1.00 2.37 H new ATOM 0 HG21 VAL A 55 3.406 18.469 1.712 1.00 2.07 H new ATOM 0 HG22 VAL A 55 4.472 19.887 1.860 1.00 2.07 H new ATOM 0 HG23 VAL A 55 4.479 18.633 3.122 1.00 2.07 H new ATOM 833 N ALA A 56 1.962 21.549 6.071 1.00 2.43 N ATOM 834 CA ALA A 56 0.923 22.325 6.734 1.00 2.53 C ATOM 835 C ALA A 56 1.575 23.284 7.710 1.00 2.90 C ATOM 836 O ALA A 56 0.933 23.852 8.603 1.00 3.05 O ATOM 837 CB ALA A 56 -0.088 21.404 7.399 1.00 2.36 C ATOM 0 H ALA A 56 2.388 20.821 6.645 1.00 2.43 H new ATOM 0 HA ALA A 56 0.366 22.914 6.005 1.00 2.53 H new ATOM 0 HB1 ALA A 56 -0.857 22.001 7.889 1.00 2.36 H new ATOM 0 HB2 ALA A 56 -0.550 20.766 6.645 1.00 2.36 H new ATOM 0 HB3 ALA A 56 0.417 20.784 8.140 1.00 2.36 H new ATOM 843 N ALA A 57 2.875 23.462 7.488 1.00 3.08 N ATOM 844 CA ALA A 57 3.691 24.342 8.286 1.00 3.45 C ATOM 845 C ALA A 57 4.002 25.617 7.540 1.00 3.67 C ATOM 846 O ALA A 57 4.148 25.619 6.314 1.00 3.69 O ATOM 847 CB ALA A 57 4.961 23.638 8.737 1.00 3.64 C ATOM 0 H ALA A 57 3.385 22.991 6.741 1.00 3.08 H new ATOM 0 HA ALA A 57 3.127 24.614 9.178 1.00 3.45 H new ATOM 0 HB1 ALA A 57 5.562 24.321 9.338 1.00 3.64 H new ATOM 0 HB2 ALA A 57 4.700 22.764 9.333 1.00 3.64 H new ATOM 0 HB3 ALA A 57 5.533 23.324 7.864 1.00 3.64 H new ATOM 853 N ASP A 58 4.086 26.710 8.318 1.00 3.94 N ATOM 854 CA ASP A 58 4.332 28.077 7.809 1.00 4.23 C ATOM 855 C ASP A 58 3.074 28.598 7.101 1.00 4.25 C ATOM 856 O ASP A 58 3.076 29.684 6.508 1.00 4.54 O ATOM 857 CB ASP A 58 5.561 28.152 6.875 1.00 4.40 C ATOM 858 CG ASP A 58 6.864 27.877 7.604 1.00 4.54 C ATOM 859 OD1 ASP A 58 7.267 26.697 7.674 1.00 4.74 O ATOM 860 OD2 ASP A 58 7.480 28.842 8.103 1.00 4.85 O ATOM 0 H ASP A 58 3.984 26.672 9.332 1.00 3.94 H new ATOM 0 HA ASP A 58 4.558 28.713 8.665 1.00 4.23 H new ATOM 0 HB2 ASP A 58 5.442 27.432 6.066 1.00 4.40 H new ATOM 0 HB3 ASP A 58 5.606 29.141 6.418 1.00 4.40 H new ATOM 865 N GLY A 59 1.995 27.801 7.198 1.00 4.05 N ATOM 866 CA GLY A 59 0.726 28.157 6.577 1.00 4.27 C ATOM 867 C GLY A 59 -0.229 28.839 7.539 1.00 4.03 C ATOM 868 O GLY A 59 0.202 29.581 8.426 1.00 4.23 O ATOM 0 H GLY A 59 1.985 26.913 7.700 1.00 4.05 H new ATOM 0 HA2 GLY A 59 0.914 28.817 5.730 1.00 4.27 H new ATOM 0 HA3 GLY A 59 0.255 27.257 6.182 1.00 4.27 H new ATOM 872 N ASN A 60 -1.529 28.580 7.355 1.00 3.90 N ATOM 873 CA ASN A 60 -2.577 29.165 8.202 1.00 3.86 C ATOM 874 C ASN A 60 -2.939 28.237 9.376 1.00 3.69 C ATOM 875 O ASN A 60 -3.954 28.442 10.055 1.00 3.78 O ATOM 876 CB ASN A 60 -3.823 29.468 7.358 1.00 3.90 C ATOM 877 CG ASN A 60 -3.614 30.630 6.403 1.00 4.10 C ATOM 878 OD1 ASN A 60 -3.866 31.784 6.747 1.00 4.42 O ATOM 879 ND2 ASN A 60 -3.150 30.327 5.196 1.00 4.29 N ATOM 0 H ASN A 60 -1.883 27.965 6.622 1.00 3.90 H new ATOM 0 HA ASN A 60 -2.192 30.094 8.623 1.00 3.86 H new ATOM 0 HB2 ASN A 60 -4.096 28.580 6.789 1.00 3.90 H new ATOM 0 HB3 ASN A 60 -4.660 29.692 8.020 1.00 3.90 H new ATOM 0 HD21 ASN A 60 -2.989 31.066 4.511 1.00 4.29 H new ATOM 0 HD22 ASN A 60 -2.955 29.356 4.954 1.00 4.29 H new ATOM 886 N GLY A 61 -2.085 27.234 9.619 1.00 3.52 N ATOM 887 CA GLY A 61 -2.312 26.283 10.701 1.00 3.44 C ATOM 888 C GLY A 61 -2.912 24.966 10.227 1.00 3.11 C ATOM 889 O GLY A 61 -3.153 24.070 11.041 1.00 3.10 O ATOM 0 H GLY A 61 -1.236 27.065 9.080 1.00 3.52 H new ATOM 0 HA2 GLY A 61 -1.366 26.083 11.205 1.00 3.44 H new ATOM 0 HA3 GLY A 61 -2.977 26.733 11.438 1.00 3.44 H new ATOM 893 N THR A 62 -3.151 24.852 8.915 1.00 2.91 N ATOM 894 CA THR A 62 -3.715 23.638 8.328 1.00 2.61 C ATOM 895 C THR A 62 -2.920 23.177 7.097 1.00 2.41 C ATOM 896 O THR A 62 -1.890 23.765 6.752 1.00 2.55 O ATOM 897 CB THR A 62 -5.215 23.796 7.987 1.00 2.62 C ATOM 898 OG1 THR A 62 -5.480 25.109 7.481 1.00 2.84 O ATOM 899 CG2 THR A 62 -6.067 23.534 9.222 1.00 2.75 C ATOM 0 H THR A 62 -2.960 25.592 8.239 1.00 2.91 H new ATOM 0 HA THR A 62 -3.633 22.862 9.089 1.00 2.61 H new ATOM 0 HB THR A 62 -5.471 23.067 7.218 1.00 2.62 H new ATOM 0 HG1 THR A 62 -5.804 25.045 6.558 1.00 2.84 H new ATOM 0 HG21 THR A 62 -7.121 23.649 8.968 1.00 2.75 H new ATOM 0 HG22 THR A 62 -5.888 22.520 9.579 1.00 2.75 H new ATOM 0 HG23 THR A 62 -5.803 24.246 10.004 1.00 2.75 H new ATOM 907 N ILE A 63 -3.428 22.130 6.444 1.00 2.14 N ATOM 908 CA ILE A 63 -2.793 21.490 5.299 1.00 1.93 C ATOM 909 C ILE A 63 -3.384 21.932 3.993 1.00 1.95 C ATOM 910 O ILE A 63 -4.589 21.960 3.842 1.00 1.99 O ATOM 911 CB ILE A 63 -3.044 19.977 5.232 1.00 1.63 C ATOM 912 CG1 ILE A 63 -3.920 19.440 6.383 1.00 1.70 C ATOM 913 CG2 ILE A 63 -1.776 19.130 5.066 1.00 1.51 C ATOM 914 CD1 ILE A 63 -3.219 19.319 7.723 1.00 1.95 C ATOM 0 H ILE A 63 -4.313 21.696 6.706 1.00 2.14 H new ATOM 0 HA ILE A 63 -1.745 21.756 5.435 1.00 1.93 H new ATOM 0 HB ILE A 63 -3.615 19.862 4.311 1.00 1.63 H new ATOM 0 HG12 ILE A 63 -4.782 20.097 6.500 1.00 1.70 H new ATOM 0 HG13 ILE A 63 -4.302 18.459 6.101 1.00 1.70 H new ATOM 0 HG21 ILE A 63 -2.046 18.075 5.028 1.00 1.51 H new ATOM 0 HG22 ILE A 63 -1.271 19.409 4.141 1.00 1.51 H new ATOM 0 HG23 ILE A 63 -1.109 19.304 5.911 1.00 1.51 H new ATOM 0 HD11 ILE A 63 -3.918 18.933 8.466 1.00 1.95 H new ATOM 0 HD12 ILE A 63 -2.374 18.637 7.631 1.00 1.95 H new ATOM 0 HD13 ILE A 63 -2.861 20.300 8.036 1.00 1.95 H new ATOM 926 N ASP A 64 -2.526 22.148 3.028 1.00 2.01 N ATOM 927 CA ASP A 64 -2.940 22.518 1.696 1.00 2.12 C ATOM 928 C ASP A 64 -2.937 21.265 0.800 1.00 1.86 C ATOM 929 O ASP A 64 -2.305 20.265 1.146 1.00 1.62 O ATOM 930 CB ASP A 64 -2.079 23.648 1.110 1.00 2.46 C ATOM 931 CG ASP A 64 -0.598 23.305 0.985 1.00 2.46 C ATOM 932 OD1 ASP A 64 0.153 23.556 1.951 1.00 2.68 O ATOM 933 OD2 ASP A 64 -0.196 22.787 -0.078 1.00 2.74 O ATOM 0 H ASP A 64 -1.515 22.072 3.144 1.00 2.01 H new ATOM 0 HA ASP A 64 -3.953 22.917 1.744 1.00 2.12 H new ATOM 0 HB2 ASP A 64 -2.464 23.909 0.124 1.00 2.46 H new ATOM 0 HB3 ASP A 64 -2.184 24.533 1.738 1.00 2.46 H new ATOM 938 N PHE A 65 -3.628 21.325 -0.342 1.00 1.97 N ATOM 939 CA PHE A 65 -3.759 20.164 -1.240 1.00 1.80 C ATOM 940 C PHE A 65 -2.519 19.871 -2.145 1.00 1.83 C ATOM 941 O PHE A 65 -2.190 18.696 -2.325 1.00 1.60 O ATOM 942 CB PHE A 65 -5.005 20.341 -2.130 1.00 2.04 C ATOM 943 CG PHE A 65 -5.479 19.076 -2.820 1.00 1.95 C ATOM 944 CD1 PHE A 65 -5.994 18.030 -2.080 1.00 2.40 C ATOM 945 CD2 PHE A 65 -5.423 18.947 -4.199 1.00 2.11 C ATOM 946 CE1 PHE A 65 -6.448 16.878 -2.678 1.00 2.45 C ATOM 947 CE2 PHE A 65 -5.872 17.792 -4.816 1.00 2.08 C ATOM 948 CZ PHE A 65 -6.387 16.757 -4.054 1.00 1.96 C ATOM 0 H PHE A 65 -4.107 22.164 -0.670 1.00 1.97 H new ATOM 0 HA PHE A 65 -3.848 19.301 -0.580 1.00 1.80 H new ATOM 0 HB2 PHE A 65 -5.819 20.731 -1.518 1.00 2.04 H new ATOM 0 HB3 PHE A 65 -4.788 21.093 -2.889 1.00 2.04 H new ATOM 0 HD1 PHE A 65 -6.041 18.119 -1.005 1.00 2.40 H new ATOM 0 HD2 PHE A 65 -5.026 19.754 -4.797 1.00 2.11 H new ATOM 0 HE1 PHE A 65 -6.849 16.074 -2.078 1.00 2.45 H new ATOM 0 HE2 PHE A 65 -5.821 17.698 -5.891 1.00 2.08 H new ATOM 0 HZ PHE A 65 -6.741 15.856 -4.534 1.00 1.96 H new ATOM 958 N PRO A 66 -1.810 20.901 -2.728 1.00 2.16 N ATOM 959 CA PRO A 66 -0.666 20.679 -3.666 1.00 2.30 C ATOM 960 C PRO A 66 0.436 19.686 -3.222 1.00 2.09 C ATOM 961 O PRO A 66 0.688 18.705 -3.929 1.00 2.04 O ATOM 962 CB PRO A 66 -0.079 22.085 -3.837 1.00 2.67 C ATOM 963 CG PRO A 66 -1.227 22.998 -3.622 1.00 2.78 C ATOM 964 CD PRO A 66 -2.049 22.358 -2.540 1.00 2.48 C ATOM 0 HA PRO A 66 -1.038 20.200 -4.572 1.00 2.30 H new ATOM 0 HB2 PRO A 66 0.717 22.273 -3.116 1.00 2.67 H new ATOM 0 HB3 PRO A 66 0.352 22.217 -4.830 1.00 2.67 H new ATOM 0 HG2 PRO A 66 -0.889 23.990 -3.324 1.00 2.78 H new ATOM 0 HG3 PRO A 66 -1.808 23.121 -4.536 1.00 2.78 H new ATOM 0 HD2 PRO A 66 -1.736 22.690 -1.550 1.00 2.48 H new ATOM 0 HD3 PRO A 66 -3.106 22.606 -2.640 1.00 2.48 H new ATOM 972 N GLU A 67 1.085 19.931 -2.073 1.00 2.04 N ATOM 973 CA GLU A 67 2.181 19.074 -1.601 1.00 1.95 C ATOM 974 C GLU A 67 1.744 17.907 -0.736 1.00 1.60 C ATOM 975 O GLU A 67 2.524 16.995 -0.447 1.00 1.59 O ATOM 976 CB GLU A 67 3.287 19.896 -0.936 1.00 2.24 C ATOM 977 CG GLU A 67 4.184 20.625 -1.925 1.00 2.61 C ATOM 978 CD GLU A 67 5.272 21.428 -1.241 1.00 3.15 C ATOM 979 OE1 GLU A 67 6.367 20.872 -1.012 1.00 3.47 O ATOM 980 OE2 GLU A 67 5.031 22.615 -0.934 1.00 3.66 O ATOM 0 H GLU A 67 0.870 20.714 -1.456 1.00 2.04 H new ATOM 0 HA GLU A 67 2.590 18.612 -2.500 1.00 1.95 H new ATOM 0 HB2 GLU A 67 2.833 20.625 -0.265 1.00 2.24 H new ATOM 0 HB3 GLU A 67 3.899 19.236 -0.322 1.00 2.24 H new ATOM 0 HG2 GLU A 67 4.641 19.900 -2.598 1.00 2.61 H new ATOM 0 HG3 GLU A 67 3.577 21.291 -2.538 1.00 2.61 H new ATOM 987 N PHE A 68 0.511 17.960 -0.320 1.00 1.40 N ATOM 988 CA PHE A 68 -0.099 16.907 0.510 1.00 1.10 C ATOM 989 C PHE A 68 -0.208 15.595 -0.311 1.00 0.99 C ATOM 990 O PHE A 68 -0.224 14.499 0.255 1.00 0.94 O ATOM 991 CB PHE A 68 -1.449 17.427 1.054 1.00 1.04 C ATOM 992 CG PHE A 68 -2.418 16.420 1.625 1.00 0.89 C ATOM 993 CD1 PHE A 68 -2.250 15.889 2.900 1.00 1.36 C ATOM 994 CD2 PHE A 68 -3.551 16.071 0.904 1.00 1.60 C ATOM 995 CE1 PHE A 68 -3.189 15.041 3.428 1.00 1.57 C ATOM 996 CE2 PHE A 68 -4.487 15.204 1.429 1.00 1.57 C ATOM 997 CZ PHE A 68 -4.313 14.690 2.694 1.00 1.15 C ATOM 0 H PHE A 68 -0.121 18.731 -0.537 1.00 1.40 H new ATOM 0 HA PHE A 68 0.519 16.667 1.375 1.00 1.10 H new ATOM 0 HB2 PHE A 68 -1.235 18.162 1.830 1.00 1.04 H new ATOM 0 HB3 PHE A 68 -1.954 17.955 0.245 1.00 1.04 H new ATOM 0 HD1 PHE A 68 -1.374 16.146 3.477 1.00 1.36 H new ATOM 0 HD2 PHE A 68 -3.702 16.484 -0.082 1.00 1.60 H new ATOM 0 HE1 PHE A 68 -3.053 14.643 4.423 1.00 1.57 H new ATOM 0 HE2 PHE A 68 -5.355 14.929 0.848 1.00 1.57 H new ATOM 0 HZ PHE A 68 -5.047 14.017 3.113 1.00 1.15 H new ATOM 1007 N LEU A 69 -0.285 15.744 -1.652 1.00 1.15 N ATOM 1008 CA LEU A 69 -0.328 14.604 -2.596 1.00 1.24 C ATOM 1009 C LEU A 69 1.074 14.089 -2.891 1.00 1.42 C ATOM 1010 O LEU A 69 1.280 12.888 -3.063 1.00 1.53 O ATOM 1011 CB LEU A 69 -0.985 14.967 -3.926 1.00 1.51 C ATOM 1012 CG LEU A 69 -1.944 16.142 -3.905 1.00 1.59 C ATOM 1013 CD1 LEU A 69 -1.637 17.046 -5.070 1.00 1.82 C ATOM 1014 CD2 LEU A 69 -3.374 15.655 -3.955 1.00 1.76 C ATOM 0 H LEU A 69 -0.319 16.655 -2.110 1.00 1.15 H new ATOM 0 HA LEU A 69 -0.925 13.835 -2.105 1.00 1.24 H new ATOM 0 HB2 LEU A 69 -0.198 15.181 -4.649 1.00 1.51 H new ATOM 0 HB3 LEU A 69 -1.524 14.093 -4.291 1.00 1.51 H new ATOM 0 HG LEU A 69 -1.820 16.703 -2.979 1.00 1.59 H new ATOM 0 HD11 LEU A 69 -2.322 17.894 -5.063 1.00 1.82 H new ATOM 0 HD12 LEU A 69 -0.612 17.407 -4.990 1.00 1.82 H new ATOM 0 HD13 LEU A 69 -1.755 16.492 -6.001 1.00 1.82 H new ATOM 0 HD21 LEU A 69 -4.050 16.510 -3.939 1.00 1.76 H new ATOM 0 HD22 LEU A 69 -3.532 15.084 -4.870 1.00 1.76 H new ATOM 0 HD23 LEU A 69 -3.572 15.020 -3.092 1.00 1.76 H new ATOM 1026 N THR A 70 2.034 15.023 -2.984 1.00 1.58 N ATOM 1027 CA THR A 70 3.444 14.670 -3.256 1.00 1.88 C ATOM 1028 C THR A 70 3.985 13.737 -2.169 1.00 1.87 C ATOM 1029 O THR A 70 4.869 12.915 -2.423 1.00 2.04 O ATOM 1030 CB THR A 70 4.363 15.908 -3.380 1.00 2.19 C ATOM 1031 OG1 THR A 70 4.209 16.766 -2.248 1.00 2.14 O ATOM 1032 CG2 THR A 70 4.066 16.687 -4.656 1.00 2.80 C ATOM 0 H THR A 70 1.865 16.023 -2.876 1.00 1.58 H new ATOM 0 HA THR A 70 3.451 14.161 -4.220 1.00 1.88 H new ATOM 0 HB THR A 70 5.392 15.551 -3.421 1.00 2.19 H new ATOM 0 HG1 THR A 70 3.633 16.332 -1.584 1.00 2.14 H new ATOM 0 HG21 THR A 70 4.727 17.552 -4.717 1.00 2.80 H new ATOM 0 HG22 THR A 70 4.229 16.044 -5.521 1.00 2.80 H new ATOM 0 HG23 THR A 70 3.029 17.023 -4.644 1.00 2.80 H new ATOM 1040 N MET A 71 3.429 13.885 -0.957 1.00 1.77 N ATOM 1041 CA MET A 71 3.778 13.042 0.192 1.00 1.91 C ATOM 1042 C MET A 71 3.005 11.724 0.130 1.00 1.83 C ATOM 1043 O MET A 71 3.457 10.705 0.658 1.00 2.06 O ATOM 1044 CB MET A 71 3.430 13.718 1.517 1.00 2.01 C ATOM 1045 CG MET A 71 3.849 15.176 1.655 1.00 2.31 C ATOM 1046 SD MET A 71 2.592 16.169 2.492 1.00 2.07 S ATOM 1047 CE MET A 71 2.380 15.291 4.046 1.00 1.57 C ATOM 0 H MET A 71 2.725 14.593 -0.748 1.00 1.77 H new ATOM 0 HA MET A 71 4.853 12.870 0.144 1.00 1.91 H new ATOM 0 HB2 MET A 71 2.351 13.656 1.661 1.00 2.01 H new ATOM 0 HB3 MET A 71 3.893 13.150 2.324 1.00 2.01 H new ATOM 0 HG2 MET A 71 4.785 15.233 2.211 1.00 2.31 H new ATOM 0 HG3 MET A 71 4.040 15.593 0.666 1.00 2.31 H new ATOM 0 HE1 MET A 71 2.010 15.980 4.805 1.00 1.57 H new ATOM 0 HE2 MET A 71 1.664 14.480 3.911 1.00 1.57 H new ATOM 0 HE3 MET A 71 3.338 14.880 4.365 1.00 1.57 H new ATOM 1057 N MET A 72 1.823 11.773 -0.523 1.00 1.61 N ATOM 1058 CA MET A 72 0.925 10.614 -0.679 1.00 1.69 C ATOM 1059 C MET A 72 1.646 9.386 -1.254 1.00 1.97 C ATOM 1060 O MET A 72 1.268 8.249 -0.958 1.00 2.17 O ATOM 1061 CB MET A 72 -0.280 11.000 -1.548 1.00 1.60 C ATOM 1062 CG MET A 72 -1.394 11.676 -0.763 1.00 1.46 C ATOM 1063 SD MET A 72 -2.163 10.576 0.441 1.00 1.69 S ATOM 1064 CE MET A 72 -3.405 11.660 1.144 1.00 1.53 C ATOM 0 H MET A 72 1.466 12.624 -0.958 1.00 1.61 H new ATOM 0 HA MET A 72 0.576 10.331 0.314 1.00 1.69 H new ATOM 0 HB2 MET A 72 0.053 11.668 -2.343 1.00 1.60 H new ATOM 0 HB3 MET A 72 -0.675 10.105 -2.029 1.00 1.60 H new ATOM 0 HG2 MET A 72 -0.992 12.548 -0.247 1.00 1.46 H new ATOM 0 HG3 MET A 72 -2.154 12.037 -1.456 1.00 1.46 H new ATOM 0 HE1 MET A 72 -4.230 11.064 1.533 1.00 1.53 H new ATOM 0 HE2 MET A 72 -2.964 12.241 1.954 1.00 1.53 H new ATOM 0 HE3 MET A 72 -3.777 12.335 0.373 1.00 1.53 H new ATOM 1074 N ALA A 73 2.688 9.628 -2.068 1.00 2.06 N ATOM 1075 CA ALA A 73 3.495 8.560 -2.642 1.00 2.36 C ATOM 1076 C ALA A 73 4.566 8.119 -1.656 1.00 2.55 C ATOM 1077 O ALA A 73 4.923 6.937 -1.611 1.00 2.80 O ATOM 1078 CB ALA A 73 4.108 8.988 -3.967 1.00 2.47 C ATOM 0 H ALA A 73 2.985 10.565 -2.339 1.00 2.06 H new ATOM 0 HA ALA A 73 2.845 7.708 -2.843 1.00 2.36 H new ATOM 0 HB1 ALA A 73 4.705 8.171 -4.372 1.00 2.47 H new ATOM 0 HB2 ALA A 73 3.314 9.241 -4.670 1.00 2.47 H new ATOM 0 HB3 ALA A 73 4.744 9.859 -3.809 1.00 2.47 H new ATOM 1084 N ARG A 74 5.080 9.079 -0.865 1.00 2.49 N ATOM 1085 CA ARG A 74 6.057 8.782 0.180 1.00 2.74 C ATOM 1086 C ARG A 74 5.408 7.886 1.227 1.00 2.80 C ATOM 1087 O ARG A 74 6.067 7.053 1.853 1.00 3.08 O ATOM 1088 CB ARG A 74 6.583 10.073 0.814 1.00 2.75 C ATOM 1089 CG ARG A 74 7.750 10.699 0.056 1.00 2.90 C ATOM 1090 CD ARG A 74 7.289 11.644 -1.045 1.00 2.93 C ATOM 1091 NE ARG A 74 8.390 12.018 -1.941 1.00 3.02 N ATOM 1092 CZ ARG A 74 8.266 12.227 -3.260 1.00 3.34 C ATOM 1093 NH1 ARG A 74 7.089 12.105 -3.870 1.00 3.84 N ATOM 1094 NH2 ARG A 74 9.333 12.562 -3.972 1.00 3.53 N ATOM 0 H ARG A 74 4.830 10.065 -0.936 1.00 2.49 H new ATOM 0 HA ARG A 74 6.909 8.262 -0.258 1.00 2.74 H new ATOM 0 HB2 ARG A 74 5.770 10.796 0.872 1.00 2.75 H new ATOM 0 HB3 ARG A 74 6.897 9.863 1.837 1.00 2.75 H new ATOM 0 HG2 ARG A 74 8.384 11.243 0.756 1.00 2.90 H new ATOM 0 HG3 ARG A 74 8.362 9.909 -0.380 1.00 2.90 H new ATOM 0 HD2 ARG A 74 6.496 11.169 -1.623 1.00 2.93 H new ATOM 0 HD3 ARG A 74 6.863 12.542 -0.598 1.00 2.93 H new ATOM 0 HE ARG A 74 9.317 12.127 -1.530 1.00 3.02 H new ATOM 0 HH11 ARG A 74 6.261 11.848 -3.333 1.00 3.84 H new ATOM 0 HH12 ARG A 74 7.016 12.268 -4.874 1.00 3.84 H new ATOM 0 HH21 ARG A 74 10.240 12.659 -3.516 1.00 3.53 H new ATOM 0 HH22 ARG A 74 9.247 12.723 -4.976 1.00 3.53 H new ATOM 1108 N LYS A 75 4.095 8.091 1.399 1.00 2.57 N ATOM 1109 CA LYS A 75 3.278 7.286 2.295 1.00 2.67 C ATOM 1110 C LYS A 75 3.039 5.906 1.714 1.00 2.87 C ATOM 1111 O LYS A 75 2.789 4.956 2.461 1.00 3.11 O ATOM 1112 CB LYS A 75 1.916 7.948 2.614 1.00 2.45 C ATOM 1113 CG LYS A 75 1.949 9.433 2.985 1.00 2.47 C ATOM 1114 CD LYS A 75 2.849 9.702 4.178 1.00 2.50 C ATOM 1115 CE LYS A 75 4.081 10.461 3.754 1.00 2.43 C ATOM 1116 NZ LYS A 75 5.127 10.474 4.814 1.00 3.05 N ATOM 0 H LYS A 75 3.575 8.824 0.916 1.00 2.57 H new ATOM 0 HA LYS A 75 3.838 7.203 3.227 1.00 2.67 H new ATOM 0 HB2 LYS A 75 1.266 7.827 1.747 1.00 2.45 H new ATOM 0 HB3 LYS A 75 1.455 7.401 3.436 1.00 2.45 H new ATOM 0 HG2 LYS A 75 2.298 10.012 2.130 1.00 2.47 H new ATOM 0 HG3 LYS A 75 0.938 9.773 3.210 1.00 2.47 H new ATOM 0 HD2 LYS A 75 2.304 10.273 4.930 1.00 2.50 H new ATOM 0 HD3 LYS A 75 3.138 8.759 4.642 1.00 2.50 H new ATOM 0 HE2 LYS A 75 4.489 10.011 2.849 1.00 2.43 H new ATOM 0 HE3 LYS A 75 3.806 11.486 3.505 1.00 2.43 H new ATOM 0 HZ1 LYS A 75 5.429 11.453 4.991 1.00 3.05 H new ATOM 0 HZ2 LYS A 75 4.739 10.067 5.689 1.00 3.05 H new ATOM 0 HZ3 LYS A 75 5.944 9.911 4.503 1.00 3.05 H new ATOM 1130 N MET A 76 3.101 5.793 0.378 1.00 2.81 N ATOM 1131 CA MET A 76 2.949 4.495 -0.257 1.00 3.04 C ATOM 1132 C MET A 76 4.269 3.758 -0.275 1.00 3.27 C ATOM 1133 O MET A 76 4.419 2.665 -0.833 1.00 3.48 O ATOM 1134 CB MET A 76 2.298 4.587 -1.640 1.00 2.98 C ATOM 1135 CG MET A 76 0.778 4.556 -1.596 1.00 3.01 C ATOM 1136 SD MET A 76 0.024 4.863 -3.206 1.00 2.99 S ATOM 1137 CE MET A 76 0.047 6.653 -3.257 1.00 2.50 C ATOM 0 H MET A 76 3.252 6.572 -0.263 1.00 2.81 H new ATOM 0 HA MET A 76 2.254 3.909 0.344 1.00 3.04 H new ATOM 0 HB2 MET A 76 2.621 5.508 -2.125 1.00 2.98 H new ATOM 0 HB3 MET A 76 2.653 3.761 -2.256 1.00 2.98 H new ATOM 0 HG2 MET A 76 0.450 3.585 -1.226 1.00 3.01 H new ATOM 0 HG3 MET A 76 0.425 5.304 -0.886 1.00 3.01 H new ATOM 0 HE1 MET A 76 -0.151 6.991 -4.274 1.00 2.50 H new ATOM 0 HE2 MET A 76 -0.719 7.046 -2.589 1.00 2.50 H new ATOM 0 HE3 MET A 76 1.025 7.014 -2.939 1.00 2.50 H new ATOM 1147 N LYS A 77 5.197 4.411 0.374 1.00 3.25 N ATOM 1148 CA LYS A 77 6.520 3.901 0.621 1.00 3.50 C ATOM 1149 C LYS A 77 6.536 3.532 2.092 1.00 3.65 C ATOM 1150 O LYS A 77 7.493 2.933 2.594 1.00 3.90 O ATOM 1151 CB LYS A 77 7.607 4.931 0.288 1.00 3.48 C ATOM 1152 CG LYS A 77 7.805 5.155 -1.204 1.00 3.51 C ATOM 1153 CD LYS A 77 8.950 6.118 -1.475 1.00 3.56 C ATOM 1154 CE LYS A 77 9.135 6.358 -2.965 1.00 3.75 C ATOM 1155 NZ LYS A 77 10.252 7.304 -3.241 1.00 4.00 N ATOM 0 H LYS A 77 5.047 5.344 0.758 1.00 3.25 H new ATOM 0 HA LYS A 77 6.739 3.044 -0.016 1.00 3.50 H new ATOM 0 HB2 LYS A 77 7.350 5.881 0.758 1.00 3.48 H new ATOM 0 HB3 LYS A 77 8.550 4.604 0.725 1.00 3.48 H new ATOM 0 HG2 LYS A 77 8.006 4.202 -1.693 1.00 3.51 H new ATOM 0 HG3 LYS A 77 6.886 5.548 -1.639 1.00 3.51 H new ATOM 0 HD2 LYS A 77 8.756 7.066 -0.974 1.00 3.56 H new ATOM 0 HD3 LYS A 77 9.872 5.717 -1.053 1.00 3.56 H new ATOM 0 HE2 LYS A 77 9.331 5.409 -3.464 1.00 3.75 H new ATOM 0 HE3 LYS A 77 8.211 6.754 -3.386 1.00 3.75 H new ATOM 0 HZ1 LYS A 77 10.345 7.441 -4.268 1.00 4.00 H new ATOM 0 HZ2 LYS A 77 10.053 8.218 -2.786 1.00 4.00 H new ATOM 0 HZ3 LYS A 77 11.139 6.914 -2.862 1.00 4.00 H new ATOM 1169 N ASP A 78 5.428 3.912 2.779 1.00 3.51 N ATOM 1170 CA ASP A 78 5.241 3.581 4.188 1.00 3.68 C ATOM 1171 C ASP A 78 4.461 2.271 4.279 1.00 3.85 C ATOM 1172 O ASP A 78 4.604 1.511 5.241 1.00 4.10 O ATOM 1173 CB ASP A 78 4.502 4.698 4.929 1.00 3.50 C ATOM 1174 CG ASP A 78 5.393 5.893 5.212 1.00 3.68 C ATOM 1175 OD1 ASP A 78 5.394 6.840 4.399 1.00 4.02 O ATOM 1176 OD2 ASP A 78 6.090 5.881 6.249 1.00 3.89 O ATOM 0 H ASP A 78 4.662 4.445 2.369 1.00 3.51 H new ATOM 0 HA ASP A 78 6.216 3.470 4.663 1.00 3.68 H new ATOM 0 HB2 ASP A 78 3.646 5.019 4.336 1.00 3.50 H new ATOM 0 HB3 ASP A 78 4.111 4.309 5.869 1.00 3.50 H new ATOM 1181 N THR A 79 3.632 2.031 3.249 1.00 3.74 N ATOM 1182 CA THR A 79 2.838 0.823 3.140 1.00 3.93 C ATOM 1183 C THR A 79 3.066 0.141 1.780 1.00 3.95 C ATOM 1184 O THR A 79 2.135 -0.400 1.171 1.00 4.03 O ATOM 1185 CB THR A 79 1.329 1.115 3.355 1.00 3.88 C ATOM 1186 OG1 THR A 79 0.841 1.996 2.334 1.00 3.58 O ATOM 1187 CG2 THR A 79 1.086 1.745 4.719 1.00 3.95 C ATOM 0 H THR A 79 3.502 2.680 2.472 1.00 3.74 H new ATOM 0 HA THR A 79 3.163 0.143 3.928 1.00 3.93 H new ATOM 0 HB THR A 79 0.795 0.166 3.303 1.00 3.88 H new ATOM 0 HG1 THR A 79 0.012 2.421 2.638 1.00 3.58 H new ATOM 0 HG21 THR A 79 0.021 1.940 4.845 1.00 3.95 H new ATOM 0 HG22 THR A 79 1.425 1.064 5.500 1.00 3.95 H new ATOM 0 HG23 THR A 79 1.637 2.683 4.790 1.00 3.95 H new ATOM 1195 N ASP A 80 4.334 0.166 1.322 1.00 3.93 N ATOM 1196 CA ASP A 80 4.748 -0.440 0.040 1.00 3.99 C ATOM 1197 C ASP A 80 4.351 -1.927 -0.056 1.00 3.80 C ATOM 1198 O ASP A 80 4.064 -2.565 0.960 1.00 4.18 O ATOM 1199 CB ASP A 80 6.266 -0.283 -0.135 1.00 4.25 C ATOM 1200 CG ASP A 80 6.693 -0.267 -1.593 1.00 4.80 C ATOM 1201 OD1 ASP A 80 6.743 0.832 -2.185 1.00 5.12 O ATOM 1202 OD2 ASP A 80 6.977 -1.353 -2.141 1.00 5.24 O ATOM 0 H ASP A 80 5.100 0.607 1.831 1.00 3.93 H new ATOM 0 HA ASP A 80 4.226 0.083 -0.761 1.00 3.99 H new ATOM 0 HB2 ASP A 80 6.588 0.642 0.343 1.00 4.25 H new ATOM 0 HB3 ASP A 80 6.773 -1.100 0.378 1.00 4.25 H new ATOM 1207 N SER A 81 4.353 -2.462 -1.291 1.00 3.49 N ATOM 1208 CA SER A 81 3.977 -3.858 -1.565 1.00 3.36 C ATOM 1209 C SER A 81 4.885 -4.887 -0.880 1.00 2.88 C ATOM 1210 O SER A 81 4.478 -6.033 -0.668 1.00 2.79 O ATOM 1211 CB SER A 81 3.956 -4.107 -3.075 1.00 3.71 C ATOM 1212 OG SER A 81 5.195 -3.757 -3.670 1.00 4.35 O ATOM 0 H SER A 81 4.615 -1.937 -2.125 1.00 3.49 H new ATOM 0 HA SER A 81 2.982 -3.995 -1.143 1.00 3.36 H new ATOM 0 HB2 SER A 81 3.740 -5.157 -3.270 1.00 3.71 H new ATOM 0 HB3 SER A 81 3.154 -3.527 -3.531 1.00 3.71 H new ATOM 0 HG SER A 81 5.155 -3.927 -4.634 1.00 4.35 H new ATOM 1218 N GLU A 82 6.104 -4.467 -0.544 1.00 2.97 N ATOM 1219 CA GLU A 82 7.086 -5.342 0.123 1.00 3.25 C ATOM 1220 C GLU A 82 6.876 -5.369 1.629 1.00 3.85 C ATOM 1221 O GLU A 82 7.208 -6.347 2.301 1.00 4.27 O ATOM 1222 CB GLU A 82 8.516 -4.894 -0.195 1.00 3.94 C ATOM 1223 CG GLU A 82 8.946 -5.130 -1.640 1.00 4.12 C ATOM 1224 CD GLU A 82 9.352 -6.569 -1.911 1.00 4.93 C ATOM 1225 OE1 GLU A 82 10.549 -6.889 -1.750 1.00 5.51 O ATOM 1226 OE2 GLU A 82 8.473 -7.374 -2.283 1.00 5.25 O ATOM 0 H GLU A 82 6.443 -3.521 -0.721 1.00 2.97 H new ATOM 0 HA GLU A 82 6.935 -6.351 -0.261 1.00 3.25 H new ATOM 0 HB2 GLU A 82 8.609 -3.831 0.030 1.00 3.94 H new ATOM 0 HB3 GLU A 82 9.204 -5.421 0.466 1.00 3.94 H new ATOM 0 HG2 GLU A 82 8.127 -4.858 -2.306 1.00 4.12 H new ATOM 0 HG3 GLU A 82 9.782 -4.472 -1.877 1.00 4.12 H new ATOM 1233 N GLU A 83 6.366 -4.264 2.146 1.00 4.18 N ATOM 1234 CA GLU A 83 6.046 -4.135 3.570 1.00 5.12 C ATOM 1235 C GLU A 83 4.666 -4.741 3.848 1.00 5.33 C ATOM 1236 O GLU A 83 4.358 -5.125 4.980 1.00 6.21 O ATOM 1237 CB GLU A 83 6.071 -2.665 4.002 1.00 5.53 C ATOM 1238 CG GLU A 83 7.470 -2.072 4.089 1.00 5.74 C ATOM 1239 CD GLU A 83 7.461 -0.618 4.517 1.00 6.48 C ATOM 1240 OE1 GLU A 83 7.526 -0.357 5.737 1.00 6.88 O ATOM 1241 OE2 GLU A 83 7.390 0.261 3.633 1.00 6.89 O ATOM 0 H GLU A 83 6.160 -3.429 1.598 1.00 4.18 H new ATOM 0 HA GLU A 83 6.799 -4.673 4.145 1.00 5.12 H new ATOM 0 HB2 GLU A 83 5.482 -2.079 3.297 1.00 5.53 H new ATOM 0 HB3 GLU A 83 5.587 -2.574 4.974 1.00 5.53 H new ATOM 0 HG2 GLU A 83 8.063 -2.652 4.797 1.00 5.74 H new ATOM 0 HG3 GLU A 83 7.958 -2.158 3.118 1.00 5.74 H new ATOM 1248 N GLU A 84 3.850 -4.815 2.784 1.00 4.72 N ATOM 1249 CA GLU A 84 2.490 -5.354 2.852 1.00 5.16 C ATOM 1250 C GLU A 84 2.437 -6.887 2.719 1.00 4.87 C ATOM 1251 O GLU A 84 1.496 -7.504 3.223 1.00 5.53 O ATOM 1252 CB GLU A 84 1.609 -4.707 1.777 1.00 5.11 C ATOM 1253 CG GLU A 84 1.283 -3.237 2.030 1.00 5.77 C ATOM 1254 CD GLU A 84 0.146 -3.044 3.019 1.00 6.38 C ATOM 1255 OE1 GLU A 84 -1.027 -3.091 2.591 1.00 6.86 O ATOM 1256 OE2 GLU A 84 0.430 -2.845 4.218 1.00 6.68 O ATOM 0 H GLU A 84 4.120 -4.501 1.852 1.00 4.72 H new ATOM 0 HA GLU A 84 2.110 -5.109 3.844 1.00 5.16 H new ATOM 0 HB2 GLU A 84 2.110 -4.795 0.813 1.00 5.11 H new ATOM 0 HB3 GLU A 84 0.676 -5.266 1.704 1.00 5.11 H new ATOM 0 HG2 GLU A 84 2.173 -2.732 2.405 1.00 5.77 H new ATOM 0 HG3 GLU A 84 1.021 -2.761 1.085 1.00 5.77 H new ATOM 1263 N ILE A 85 3.426 -7.506 2.027 1.00 3.98 N ATOM 1264 CA ILE A 85 3.461 -8.983 1.854 1.00 3.69 C ATOM 1265 C ILE A 85 3.435 -9.725 3.168 1.00 4.63 C ATOM 1266 O ILE A 85 2.640 -10.645 3.345 1.00 5.03 O ATOM 1267 CB ILE A 85 4.623 -9.482 0.964 1.00 2.77 C ATOM 1268 CG1 ILE A 85 5.941 -8.723 1.194 1.00 3.16 C ATOM 1269 CG2 ILE A 85 4.192 -9.379 -0.485 1.00 1.99 C ATOM 1270 CD1 ILE A 85 6.859 -9.383 2.202 1.00 3.97 C ATOM 0 H ILE A 85 4.202 -7.014 1.584 1.00 3.98 H new ATOM 0 HA ILE A 85 2.539 -9.215 1.320 1.00 3.69 H new ATOM 0 HB ILE A 85 4.833 -10.517 1.235 1.00 2.77 H new ATOM 0 HG12 ILE A 85 6.467 -8.631 0.244 1.00 3.16 H new ATOM 0 HG13 ILE A 85 5.713 -7.712 1.532 1.00 3.16 H new ATOM 0 HG21 ILE A 85 4.999 -9.727 -1.130 1.00 1.99 H new ATOM 0 HG22 ILE A 85 3.307 -9.995 -0.646 1.00 1.99 H new ATOM 0 HG23 ILE A 85 3.959 -8.341 -0.722 1.00 1.99 H new ATOM 0 HD11 ILE A 85 7.767 -8.790 2.310 1.00 3.97 H new ATOM 0 HD12 ILE A 85 6.353 -9.451 3.165 1.00 3.97 H new ATOM 0 HD13 ILE A 85 7.119 -10.384 1.857 1.00 3.97 H new ATOM 1282 N ARG A 86 4.259 -9.290 4.098 1.00 5.19 N ATOM 1283 CA ARG A 86 4.284 -9.879 5.441 1.00 6.32 C ATOM 1284 C ARG A 86 2.918 -9.740 6.095 1.00 7.11 C ATOM 1285 O ARG A 86 2.559 -10.508 6.993 1.00 7.98 O ATOM 1286 CB ARG A 86 5.256 -9.142 6.339 1.00 6.99 C ATOM 1287 CG ARG A 86 6.350 -10.022 6.919 1.00 7.36 C ATOM 1288 CD ARG A 86 7.338 -9.214 7.744 1.00 8.25 C ATOM 1289 NE ARG A 86 8.422 -10.047 8.276 1.00 8.76 N ATOM 1290 CZ ARG A 86 9.550 -9.574 8.825 1.00 9.65 C ATOM 1291 NH1 ARG A 86 9.771 -8.264 8.927 1.00 10.08 N ATOM 1292 NH2 ARG A 86 10.465 -10.422 9.274 1.00 10.26 N ATOM 0 H ARG A 86 4.925 -8.530 3.959 1.00 5.19 H new ATOM 0 HA ARG A 86 4.576 -10.923 5.327 1.00 6.32 H new ATOM 0 HB2 ARG A 86 5.717 -8.333 5.772 1.00 6.99 H new ATOM 0 HB3 ARG A 86 4.702 -8.682 7.157 1.00 6.99 H new ATOM 0 HG2 ARG A 86 5.903 -10.797 7.542 1.00 7.36 H new ATOM 0 HG3 ARG A 86 6.878 -10.528 6.111 1.00 7.36 H new ATOM 0 HD2 ARG A 86 7.760 -8.420 7.128 1.00 8.25 H new ATOM 0 HD3 ARG A 86 6.813 -8.733 8.569 1.00 8.25 H new ATOM 0 HE ARG A 86 8.309 -11.059 8.225 1.00 8.76 H new ATOM 0 HH11 ARG A 86 9.076 -7.601 8.584 1.00 10.08 H new ATOM 0 HH12 ARG A 86 10.636 -7.924 9.348 1.00 10.08 H new ATOM 0 HH21 ARG A 86 10.308 -11.427 9.201 1.00 10.26 H new ATOM 0 HH22 ARG A 86 11.326 -10.069 9.693 1.00 10.26 H new ATOM 1306 N GLU A 87 2.170 -8.739 5.615 1.00 6.95 N ATOM 1307 CA GLU A 87 0.868 -8.425 6.172 1.00 7.91 C ATOM 1308 C GLU A 87 -0.257 -9.254 5.548 1.00 7.97 C ATOM 1309 O GLU A 87 -1.193 -9.673 6.235 1.00 8.94 O ATOM 1310 CB GLU A 87 0.561 -6.929 6.043 1.00 8.02 C ATOM 1311 CG GLU A 87 1.341 -6.056 7.015 1.00 8.75 C ATOM 1312 CD GLU A 87 1.049 -4.579 6.839 1.00 9.11 C ATOM 1313 OE1 GLU A 87 1.858 -3.888 6.187 1.00 9.62 O ATOM 1314 OE2 GLU A 87 0.010 -4.114 7.354 1.00 9.05 O ATOM 0 H GLU A 87 2.453 -8.138 4.841 1.00 6.95 H new ATOM 0 HA GLU A 87 0.914 -8.688 7.229 1.00 7.91 H new ATOM 0 HB2 GLU A 87 0.781 -6.609 5.025 1.00 8.02 H new ATOM 0 HB3 GLU A 87 -0.506 -6.771 6.203 1.00 8.02 H new ATOM 0 HG2 GLU A 87 1.099 -6.351 8.036 1.00 8.75 H new ATOM 0 HG3 GLU A 87 2.408 -6.230 6.877 1.00 8.75 H new ATOM 1321 N ALA A 88 -0.138 -9.476 4.235 1.00 7.00 N ATOM 1322 CA ALA A 88 -1.131 -10.225 3.445 1.00 7.06 C ATOM 1323 C ALA A 88 -1.111 -11.715 3.748 1.00 7.01 C ATOM 1324 O ALA A 88 -2.146 -12.310 3.995 1.00 7.73 O ATOM 1325 CB ALA A 88 -0.900 -10.014 1.971 1.00 6.21 C ATOM 0 H ALA A 88 0.652 -9.141 3.684 1.00 7.00 H new ATOM 0 HA ALA A 88 -2.110 -9.839 3.728 1.00 7.06 H new ATOM 0 HB1 ALA A 88 -1.642 -10.574 1.403 1.00 6.21 H new ATOM 0 HB2 ALA A 88 -0.989 -8.953 1.737 1.00 6.21 H new ATOM 0 HB3 ALA A 88 0.098 -10.362 1.706 1.00 6.21 H new ATOM 1331 N PHE A 89 0.067 -12.326 3.639 1.00 6.21 N ATOM 1332 CA PHE A 89 0.271 -13.750 3.965 1.00 6.21 C ATOM 1333 C PHE A 89 -0.422 -14.201 5.266 1.00 7.49 C ATOM 1334 O PHE A 89 -0.616 -15.395 5.483 1.00 7.70 O ATOM 1335 CB PHE A 89 1.765 -14.024 4.013 1.00 5.56 C ATOM 1336 CG PHE A 89 2.349 -14.053 2.645 1.00 4.24 C ATOM 1337 CD1 PHE A 89 2.622 -12.876 1.955 1.00 3.84 C ATOM 1338 CD2 PHE A 89 2.596 -15.258 2.032 1.00 3.79 C ATOM 1339 CE1 PHE A 89 3.128 -12.908 0.700 1.00 2.77 C ATOM 1340 CE2 PHE A 89 3.101 -15.301 0.770 1.00 2.72 C ATOM 1341 CZ PHE A 89 3.369 -14.133 0.098 1.00 1.93 C ATOM 0 H PHE A 89 0.913 -11.853 3.322 1.00 6.21 H new ATOM 0 HA PHE A 89 -0.203 -14.340 3.181 1.00 6.21 H new ATOM 0 HB2 PHE A 89 2.260 -13.255 4.607 1.00 5.56 H new ATOM 0 HB3 PHE A 89 1.947 -14.977 4.510 1.00 5.56 H new ATOM 0 HD1 PHE A 89 2.428 -11.924 2.427 1.00 3.84 H new ATOM 0 HD2 PHE A 89 2.387 -16.179 2.557 1.00 3.79 H new ATOM 0 HE1 PHE A 89 3.342 -11.989 0.174 1.00 2.77 H new ATOM 0 HE2 PHE A 89 3.291 -16.253 0.296 1.00 2.72 H new ATOM 0 HZ PHE A 89 3.769 -14.170 -0.904 1.00 1.93 H new ATOM 1351 N ARG A 90 -0.790 -13.243 6.126 1.00 8.36 N ATOM 1352 CA ARG A 90 -1.515 -13.544 7.364 1.00 9.63 C ATOM 1353 C ARG A 90 -2.993 -13.857 7.056 1.00 10.20 C ATOM 1354 O ARG A 90 -3.727 -14.339 7.924 1.00 11.20 O ATOM 1355 CB ARG A 90 -1.420 -12.370 8.346 1.00 10.38 C ATOM 1356 CG ARG A 90 -0.051 -12.219 8.993 1.00 10.73 C ATOM 1357 CD ARG A 90 -0.021 -11.051 9.966 1.00 11.51 C ATOM 1358 NE ARG A 90 1.292 -10.900 10.603 1.00 12.01 N ATOM 1359 CZ ARG A 90 1.583 -9.995 11.549 1.00 12.77 C ATOM 1360 NH1 ARG A 90 0.662 -9.140 11.991 1.00 13.10 N ATOM 1361 NH2 ARG A 90 2.807 -9.948 12.056 1.00 13.29 N ATOM 0 H ARG A 90 -0.596 -12.251 5.986 1.00 8.36 H new ATOM 0 HA ARG A 90 -1.057 -14.419 7.824 1.00 9.63 H new ATOM 0 HB2 ARG A 90 -1.666 -11.448 7.820 1.00 10.38 H new ATOM 0 HB3 ARG A 90 -2.168 -12.501 9.128 1.00 10.38 H new ATOM 0 HG2 ARG A 90 0.208 -13.138 9.518 1.00 10.73 H new ATOM 0 HG3 ARG A 90 0.703 -12.070 8.220 1.00 10.73 H new ATOM 0 HD2 ARG A 90 -0.275 -10.132 9.438 1.00 11.51 H new ATOM 0 HD3 ARG A 90 -0.781 -11.198 10.733 1.00 11.51 H new ATOM 0 HE ARG A 90 2.038 -11.529 10.305 1.00 12.01 H new ATOM 0 HH11 ARG A 90 -0.284 -9.167 11.609 1.00 13.10 H new ATOM 0 HH12 ARG A 90 0.902 -8.459 12.711 1.00 13.10 H new ATOM 0 HH21 ARG A 90 3.521 -10.598 11.726 1.00 13.29 H new ATOM 0 HH22 ARG A 90 3.035 -9.262 12.776 1.00 13.29 H new ATOM 1375 N VAL A 91 -3.409 -13.574 5.804 1.00 9.66 N ATOM 1376 CA VAL A 91 -4.753 -13.809 5.336 1.00 10.29 C ATOM 1377 C VAL A 91 -4.836 -15.096 4.520 1.00 9.81 C ATOM 1378 O VAL A 91 -5.728 -15.923 4.727 1.00 10.52 O ATOM 1379 CB VAL A 91 -5.274 -12.672 4.432 1.00 10.33 C ATOM 1380 CG1 VAL A 91 -6.736 -12.360 4.723 1.00 11.64 C ATOM 1381 CG2 VAL A 91 -4.428 -11.409 4.502 1.00 9.85 C ATOM 0 H VAL A 91 -2.797 -13.171 5.095 1.00 9.66 H new ATOM 0 HA VAL A 91 -5.364 -13.873 6.237 1.00 10.29 H new ATOM 0 HB VAL A 91 -5.192 -13.042 3.410 1.00 10.33 H new ATOM 0 HG11 VAL A 91 -7.073 -11.555 4.070 1.00 11.64 H new ATOM 0 HG12 VAL A 91 -7.340 -13.249 4.544 1.00 11.64 H new ATOM 0 HG13 VAL A 91 -6.842 -12.052 5.763 1.00 11.64 H new ATOM 0 HG21 VAL A 91 -4.851 -10.651 3.843 1.00 9.85 H new ATOM 0 HG22 VAL A 91 -4.417 -11.034 5.526 1.00 9.85 H new ATOM 0 HG23 VAL A 91 -3.409 -11.636 4.188 1.00 9.85 H new ATOM 1391 N PHE A 92 -3.885 -15.239 3.594 1.00 8.63 N ATOM 1392 CA PHE A 92 -3.845 -16.384 2.674 1.00 8.08 C ATOM 1393 C PHE A 92 -2.969 -17.533 3.172 1.00 7.58 C ATOM 1394 O PHE A 92 -3.246 -18.697 2.868 1.00 7.57 O ATOM 1395 CB PHE A 92 -3.284 -15.939 1.320 1.00 7.14 C ATOM 1396 CG PHE A 92 -3.860 -14.664 0.759 1.00 7.60 C ATOM 1397 CD1 PHE A 92 -4.921 -14.702 -0.130 1.00 7.95 C ATOM 1398 CD2 PHE A 92 -3.306 -13.431 1.086 1.00 7.88 C ATOM 1399 CE1 PHE A 92 -5.419 -13.539 -0.685 1.00 8.45 C ATOM 1400 CE2 PHE A 92 -3.800 -12.271 0.536 1.00 8.39 C ATOM 1401 CZ PHE A 92 -4.855 -12.322 -0.355 1.00 8.62 C ATOM 0 H PHE A 92 -3.126 -14.572 3.459 1.00 8.63 H new ATOM 0 HA PHE A 92 -4.872 -16.742 2.597 1.00 8.08 H new ATOM 0 HB2 PHE A 92 -2.205 -15.816 1.417 1.00 7.14 H new ATOM 0 HB3 PHE A 92 -3.450 -16.739 0.598 1.00 7.14 H new ATOM 0 HD1 PHE A 92 -5.364 -15.651 -0.392 1.00 7.95 H new ATOM 0 HD2 PHE A 92 -2.479 -13.384 1.779 1.00 7.88 H new ATOM 0 HE1 PHE A 92 -6.248 -13.581 -1.376 1.00 8.45 H new ATOM 0 HE2 PHE A 92 -3.363 -11.320 0.801 1.00 8.39 H new ATOM 0 HZ PHE A 92 -5.238 -11.412 -0.793 1.00 8.62 H new ATOM 1411 N ALA A 93 -1.925 -17.208 3.935 1.00 7.32 N ATOM 1412 CA ALA A 93 -1.020 -18.218 4.480 1.00 7.11 C ATOM 1413 C ALA A 93 -1.364 -18.483 5.949 1.00 8.33 C ATOM 1414 O ALA A 93 -1.995 -17.642 6.598 1.00 8.83 O ATOM 1415 CB ALA A 93 0.443 -17.796 4.271 1.00 6.22 C ATOM 0 H ALA A 93 -1.685 -16.250 4.190 1.00 7.32 H new ATOM 0 HA ALA A 93 -1.148 -19.159 3.946 1.00 7.11 H new ATOM 0 HB1 ALA A 93 1.104 -18.559 4.682 1.00 6.22 H new ATOM 0 HB2 ALA A 93 0.640 -17.682 3.205 1.00 6.22 H new ATOM 0 HB3 ALA A 93 0.624 -16.848 4.777 1.00 6.22 H new ATOM 1421 N LYS A 94 -0.956 -19.666 6.462 1.00 8.92 N ATOM 1422 CA LYS A 94 -1.230 -20.112 7.856 1.00 10.13 C ATOM 1423 C LYS A 94 -2.685 -20.604 8.001 1.00 10.64 C ATOM 1424 O LYS A 94 -3.475 -20.051 8.778 1.00 11.32 O ATOM 1425 CB LYS A 94 -0.926 -19.014 8.911 1.00 10.90 C ATOM 1426 CG LYS A 94 0.556 -18.803 9.187 1.00 11.36 C ATOM 1427 CD LYS A 94 1.207 -17.902 8.141 1.00 11.16 C ATOM 1428 CE LYS A 94 2.576 -18.418 7.735 1.00 10.61 C ATOM 1429 NZ LYS A 94 3.584 -18.258 8.822 1.00 11.01 N ATOM 0 H LYS A 94 -0.423 -20.346 5.920 1.00 8.92 H new ATOM 0 HA LYS A 94 -0.551 -20.941 8.052 1.00 10.13 H new ATOM 0 HB2 LYS A 94 -1.358 -18.072 8.573 1.00 10.90 H new ATOM 0 HB3 LYS A 94 -1.424 -19.276 9.845 1.00 10.90 H new ATOM 0 HG2 LYS A 94 0.682 -18.361 10.176 1.00 11.36 H new ATOM 0 HG3 LYS A 94 1.063 -19.768 9.202 1.00 11.36 H new ATOM 0 HD2 LYS A 94 0.565 -17.841 7.262 1.00 11.16 H new ATOM 0 HD3 LYS A 94 1.301 -16.891 8.538 1.00 11.16 H new ATOM 0 HE2 LYS A 94 2.500 -19.471 7.465 1.00 10.61 H new ATOM 0 HE3 LYS A 94 2.915 -17.885 6.847 1.00 10.61 H new ATOM 0 HZ1 LYS A 94 4.382 -18.903 8.653 1.00 11.01 H new ATOM 0 HZ2 LYS A 94 3.928 -17.277 8.834 1.00 11.01 H new ATOM 0 HZ3 LYS A 94 3.146 -18.483 9.738 1.00 11.01 H new ATOM 1443 N ASP A 95 -3.027 -21.645 7.232 1.00 10.41 N ATOM 1444 CA ASP A 95 -4.371 -22.217 7.242 1.00 10.95 C ATOM 1445 C ASP A 95 -4.447 -23.546 8.002 1.00 11.36 C ATOM 1446 O ASP A 95 -5.383 -24.336 7.818 1.00 11.72 O ATOM 1447 CB ASP A 95 -4.900 -22.370 5.808 1.00 10.75 C ATOM 1448 CG ASP A 95 -5.224 -21.036 5.160 1.00 10.79 C ATOM 1449 OD1 ASP A 95 -6.385 -20.590 5.268 1.00 11.08 O ATOM 1450 OD2 ASP A 95 -4.315 -20.440 4.546 1.00 10.72 O ATOM 0 H ASP A 95 -2.383 -22.109 6.591 1.00 10.41 H new ATOM 0 HA ASP A 95 -5.010 -21.518 7.782 1.00 10.95 H new ATOM 0 HB2 ASP A 95 -4.157 -22.892 5.205 1.00 10.75 H new ATOM 0 HB3 ASP A 95 -5.796 -22.991 5.819 1.00 10.75 H new ATOM 1455 N GLY A 96 -3.470 -23.762 8.869 1.00 11.41 N ATOM 1456 CA GLY A 96 -3.402 -24.992 9.651 1.00 11.89 C ATOM 1457 C GLY A 96 -1.999 -25.356 10.038 1.00 11.67 C ATOM 1458 O GLY A 96 -1.459 -24.888 11.044 1.00 11.82 O ATOM 0 H GLY A 96 -2.712 -23.104 9.051 1.00 11.41 H new ATOM 0 HA2 GLY A 96 -4.005 -24.879 10.552 1.00 11.89 H new ATOM 0 HA3 GLY A 96 -3.839 -25.808 9.076 1.00 11.89 H new ATOM 1462 N ASN A 97 -1.430 -26.210 9.201 1.00 11.48 N ATOM 1463 CA ASN A 97 -0.079 -26.731 9.334 1.00 11.39 C ATOM 1464 C ASN A 97 0.982 -25.633 9.221 1.00 11.24 C ATOM 1465 O ASN A 97 2.113 -25.783 9.694 1.00 11.69 O ATOM 1466 CB ASN A 97 0.092 -27.741 8.224 1.00 10.47 C ATOM 1467 CG ASN A 97 1.020 -28.885 8.590 1.00 10.82 C ATOM 1468 OD1 ASN A 97 2.230 -28.812 8.371 1.00 11.12 O ATOM 1469 ND2 ASN A 97 0.456 -29.949 9.150 1.00 10.95 N ATOM 0 H ASN A 97 -1.915 -26.572 8.380 1.00 11.48 H new ATOM 0 HA ASN A 97 0.056 -27.176 10.320 1.00 11.39 H new ATOM 0 HB2 ASN A 97 -0.884 -28.146 7.957 1.00 10.47 H new ATOM 0 HB3 ASN A 97 0.481 -27.236 7.340 1.00 10.47 H new ATOM 0 HD21 ASN A 97 1.030 -30.749 9.417 1.00 10.95 H new ATOM 0 HD22 ASN A 97 -0.551 -29.966 9.313 1.00 10.95 H new ATOM 1476 N GLY A 98 0.577 -24.545 8.586 1.00 10.71 N ATOM 1477 CA GLY A 98 1.434 -23.387 8.390 1.00 10.57 C ATOM 1478 C GLY A 98 1.861 -23.192 6.946 1.00 9.35 C ATOM 1479 O GLY A 98 2.327 -22.110 6.589 1.00 9.23 O ATOM 0 H GLY A 98 -0.358 -24.440 8.191 1.00 10.71 H new ATOM 0 HA2 GLY A 98 0.909 -22.494 8.730 1.00 10.57 H new ATOM 0 HA3 GLY A 98 2.322 -23.492 9.013 1.00 10.57 H new ATOM 1483 N TYR A 99 1.654 -24.217 6.101 1.00 8.53 N ATOM 1484 CA TYR A 99 2.012 -24.150 4.685 1.00 7.35 C ATOM 1485 C TYR A 99 1.029 -23.273 3.906 1.00 6.60 C ATOM 1486 O TYR A 99 -0.159 -23.212 4.239 1.00 6.68 O ATOM 1487 CB TYR A 99 1.995 -25.548 4.042 1.00 7.03 C ATOM 1488 CG TYR A 99 3.273 -26.358 4.160 1.00 7.42 C ATOM 1489 CD1 TYR A 99 4.141 -26.509 3.071 1.00 7.29 C ATOM 1490 CD2 TYR A 99 3.593 -27.009 5.346 1.00 8.16 C ATOM 1491 CE1 TYR A 99 5.280 -27.284 3.177 1.00 7.85 C ATOM 1492 CE2 TYR A 99 4.736 -27.777 5.455 1.00 8.71 C ATOM 1493 CZ TYR A 99 5.574 -27.913 4.368 1.00 8.53 C ATOM 1494 OH TYR A 99 6.709 -28.684 4.473 1.00 9.21 O ATOM 0 H TYR A 99 1.238 -25.104 6.383 1.00 8.53 H new ATOM 0 HA TYR A 99 3.014 -23.725 4.639 1.00 7.35 H new ATOM 0 HB2 TYR A 99 1.184 -26.121 4.491 1.00 7.03 H new ATOM 0 HB3 TYR A 99 1.758 -25.435 2.984 1.00 7.03 H new ATOM 0 HD1 TYR A 99 3.917 -26.014 2.138 1.00 7.29 H new ATOM 0 HD2 TYR A 99 2.936 -26.913 6.198 1.00 8.16 H new ATOM 0 HE1 TYR A 99 5.939 -27.397 2.329 1.00 7.85 H new ATOM 0 HE2 TYR A 99 4.972 -28.269 6.387 1.00 8.71 H new ATOM 0 HH TYR A 99 6.770 -29.055 5.378 1.00 9.21 H new ATOM 1504 N ILE A 100 1.541 -22.606 2.878 1.00 6.19 N ATOM 1505 CA ILE A 100 0.729 -21.766 1.999 1.00 5.73 C ATOM 1506 C ILE A 100 0.733 -22.387 0.605 1.00 4.64 C ATOM 1507 O ILE A 100 1.792 -22.518 -0.016 1.00 4.17 O ATOM 1508 CB ILE A 100 1.216 -20.269 1.978 1.00 5.84 C ATOM 1509 CG1 ILE A 100 0.606 -19.453 0.817 1.00 5.96 C ATOM 1510 CG2 ILE A 100 2.737 -20.163 1.924 1.00 5.70 C ATOM 1511 CD1 ILE A 100 -0.844 -19.056 1.004 1.00 6.65 C ATOM 0 H ILE A 100 2.530 -22.631 2.629 1.00 6.19 H new ATOM 0 HA ILE A 100 -0.291 -21.730 2.382 1.00 5.73 H new ATOM 0 HB ILE A 100 0.861 -19.841 2.916 1.00 5.84 H new ATOM 0 HG12 ILE A 100 1.199 -18.549 0.678 1.00 5.96 H new ATOM 0 HG13 ILE A 100 0.692 -20.035 -0.100 1.00 5.96 H new ATOM 0 HG21 ILE A 100 3.028 -19.113 1.911 1.00 5.70 H new ATOM 0 HG22 ILE A 100 3.167 -20.648 2.800 1.00 5.70 H new ATOM 0 HG23 ILE A 100 3.104 -20.652 1.022 1.00 5.70 H new ATOM 0 HD11 ILE A 100 -1.180 -18.487 0.137 1.00 6.65 H new ATOM 0 HD12 ILE A 100 -1.456 -19.952 1.110 1.00 6.65 H new ATOM 0 HD13 ILE A 100 -0.941 -18.443 1.900 1.00 6.65 H new ATOM 1523 N SER A 101 -0.458 -22.764 0.121 1.00 4.56 N ATOM 1524 CA SER A 101 -0.592 -23.403 -1.184 1.00 3.87 C ATOM 1525 C SER A 101 -0.157 -22.501 -2.327 1.00 3.18 C ATOM 1526 O SER A 101 -0.271 -21.274 -2.258 1.00 3.33 O ATOM 1527 CB SER A 101 -2.012 -23.906 -1.425 1.00 4.59 C ATOM 1528 OG SER A 101 -2.528 -24.570 -0.283 1.00 5.48 O ATOM 0 H SER A 101 -1.339 -22.635 0.618 1.00 4.56 H new ATOM 0 HA SER A 101 0.082 -24.259 -1.165 1.00 3.87 H new ATOM 0 HB2 SER A 101 -2.658 -23.067 -1.682 1.00 4.59 H new ATOM 0 HB3 SER A 101 -2.019 -24.586 -2.277 1.00 4.59 H new ATOM 0 HG SER A 101 -3.439 -24.879 -0.468 1.00 5.48 H new ATOM 1534 N ALA A 102 0.342 -23.153 -3.375 1.00 2.74 N ATOM 1535 CA ALA A 102 0.844 -22.478 -4.582 1.00 2.63 C ATOM 1536 C ALA A 102 -0.222 -21.681 -5.347 1.00 3.39 C ATOM 1537 O ALA A 102 0.124 -20.827 -6.157 1.00 3.61 O ATOM 1538 CB ALA A 102 1.464 -23.502 -5.509 1.00 3.06 C ATOM 0 H ALA A 102 0.412 -24.170 -3.416 1.00 2.74 H new ATOM 0 HA ALA A 102 1.582 -21.752 -4.240 1.00 2.63 H new ATOM 0 HB1 ALA A 102 1.837 -23.004 -6.404 1.00 3.06 H new ATOM 0 HB2 ALA A 102 2.289 -24.000 -5.001 1.00 3.06 H new ATOM 0 HB3 ALA A 102 0.713 -24.240 -5.791 1.00 3.06 H new ATOM 1544 N ALA A 103 -1.503 -21.956 -5.082 1.00 4.09 N ATOM 1545 CA ALA A 103 -2.609 -21.279 -5.776 1.00 5.20 C ATOM 1546 C ALA A 103 -2.974 -19.917 -5.166 1.00 5.47 C ATOM 1547 O ALA A 103 -3.604 -19.092 -5.835 1.00 6.33 O ATOM 1548 CB ALA A 103 -3.834 -22.181 -5.796 1.00 5.96 C ATOM 0 H ALA A 103 -1.803 -22.644 -4.391 1.00 4.09 H new ATOM 0 HA ALA A 103 -2.264 -21.081 -6.791 1.00 5.20 H new ATOM 0 HB1 ALA A 103 -4.650 -21.675 -6.311 1.00 5.96 H new ATOM 0 HB2 ALA A 103 -3.595 -23.108 -6.318 1.00 5.96 H new ATOM 0 HB3 ALA A 103 -4.136 -22.408 -4.773 1.00 5.96 H new ATOM 1554 N GLU A 104 -2.579 -19.686 -3.907 1.00 4.91 N ATOM 1555 CA GLU A 104 -2.899 -18.437 -3.204 1.00 5.33 C ATOM 1556 C GLU A 104 -1.890 -17.305 -3.465 1.00 4.76 C ATOM 1557 O GLU A 104 -2.299 -16.165 -3.681 1.00 5.38 O ATOM 1558 CB GLU A 104 -3.016 -18.700 -1.706 1.00 5.44 C ATOM 1559 CG GLU A 104 -4.359 -19.282 -1.292 1.00 6.31 C ATOM 1560 CD GLU A 104 -4.469 -19.485 0.206 1.00 6.92 C ATOM 1561 OE1 GLU A 104 -4.023 -20.544 0.696 1.00 7.26 O ATOM 1562 OE2 GLU A 104 -5.003 -18.586 0.889 1.00 7.37 O ATOM 0 H GLU A 104 -2.036 -20.349 -3.354 1.00 4.91 H new ATOM 0 HA GLU A 104 -3.853 -18.093 -3.603 1.00 5.33 H new ATOM 0 HB2 GLU A 104 -2.224 -19.385 -1.403 1.00 5.44 H new ATOM 0 HB3 GLU A 104 -2.853 -17.766 -1.168 1.00 5.44 H new ATOM 0 HG2 GLU A 104 -5.157 -18.618 -1.625 1.00 6.31 H new ATOM 0 HG3 GLU A 104 -4.508 -20.237 -1.796 1.00 6.31 H new ATOM 1569 N LEU A 105 -0.580 -17.614 -3.403 1.00 3.64 N ATOM 1570 CA LEU A 105 0.510 -16.635 -3.630 1.00 3.09 C ATOM 1571 C LEU A 105 0.316 -15.714 -4.805 1.00 4.03 C ATOM 1572 O LEU A 105 0.548 -14.508 -4.687 1.00 4.13 O ATOM 1573 CB LEU A 105 1.836 -17.355 -3.840 1.00 2.35 C ATOM 1574 CG LEU A 105 2.182 -18.430 -2.799 1.00 1.65 C ATOM 1575 CD1 LEU A 105 3.267 -19.354 -3.315 1.00 2.00 C ATOM 1576 CD2 LEU A 105 2.596 -17.779 -1.489 1.00 1.38 C ATOM 0 H LEU A 105 -0.243 -18.554 -3.193 1.00 3.64 H new ATOM 0 HA LEU A 105 0.503 -16.021 -2.729 1.00 3.09 H new ATOM 0 HB2 LEU A 105 1.824 -17.820 -4.826 1.00 2.35 H new ATOM 0 HB3 LEU A 105 2.634 -16.613 -3.848 1.00 2.35 H new ATOM 0 HG LEU A 105 1.293 -19.034 -2.617 1.00 1.65 H new ATOM 0 HD11 LEU A 105 3.494 -20.106 -2.559 1.00 2.00 H new ATOM 0 HD12 LEU A 105 2.924 -19.846 -4.225 1.00 2.00 H new ATOM 0 HD13 LEU A 105 4.165 -18.775 -3.532 1.00 2.00 H new ATOM 0 HD21 LEU A 105 2.839 -18.552 -0.759 1.00 1.38 H new ATOM 0 HD22 LEU A 105 3.470 -17.150 -1.656 1.00 1.38 H new ATOM 0 HD23 LEU A 105 1.776 -17.168 -1.111 1.00 1.38 H new ATOM 1588 N ARG A 106 -0.072 -16.277 -5.938 1.00 4.83 N ATOM 1589 CA ARG A 106 -0.277 -15.474 -7.136 1.00 5.95 C ATOM 1590 C ARG A 106 -1.386 -14.469 -6.908 1.00 6.65 C ATOM 1591 O ARG A 106 -1.427 -13.421 -7.532 1.00 7.39 O ATOM 1592 CB ARG A 106 -0.587 -16.325 -8.370 1.00 6.81 C ATOM 1593 CG ARG A 106 0.471 -17.375 -8.703 1.00 6.46 C ATOM 1594 CD ARG A 106 0.129 -18.703 -8.080 1.00 5.99 C ATOM 1595 NE ARG A 106 0.981 -19.787 -8.585 1.00 6.40 N ATOM 1596 CZ ARG A 106 0.528 -20.935 -9.111 1.00 6.89 C ATOM 1597 NH1 ARG A 106 -0.777 -21.181 -9.217 1.00 7.08 N ATOM 1598 NH2 ARG A 106 1.395 -21.845 -9.536 1.00 7.37 N ATOM 0 H ARG A 106 -0.250 -17.275 -6.055 1.00 4.83 H new ATOM 0 HA ARG A 106 0.659 -14.951 -7.333 1.00 5.95 H new ATOM 0 HB2 ARG A 106 -1.542 -16.827 -8.218 1.00 6.81 H new ATOM 0 HB3 ARG A 106 -0.707 -15.665 -9.229 1.00 6.81 H new ATOM 0 HG2 ARG A 106 0.550 -17.486 -9.784 1.00 6.46 H new ATOM 0 HG3 ARG A 106 1.445 -17.041 -8.345 1.00 6.46 H new ATOM 0 HD2 ARG A 106 0.236 -18.633 -6.998 1.00 5.99 H new ATOM 0 HD3 ARG A 106 -0.916 -18.939 -8.283 1.00 5.99 H new ATOM 0 HE ARG A 106 1.991 -19.658 -8.532 1.00 6.40 H new ATOM 0 HH11 ARG A 106 -1.454 -20.490 -8.895 1.00 7.08 H new ATOM 0 HH12 ARG A 106 -1.099 -22.061 -9.620 1.00 7.08 H new ATOM 0 HH21 ARG A 106 2.397 -21.669 -9.461 1.00 7.37 H new ATOM 0 HH22 ARG A 106 1.060 -22.721 -9.937 1.00 7.37 H new ATOM 1612 N HIS A 107 -2.288 -14.837 -6.013 1.00 6.60 N ATOM 1613 CA HIS A 107 -3.372 -13.979 -5.595 1.00 7.43 C ATOM 1614 C HIS A 107 -2.881 -13.022 -4.500 1.00 6.90 C ATOM 1615 O HIS A 107 -3.518 -11.997 -4.250 1.00 7.61 O ATOM 1616 CB HIS A 107 -4.565 -14.800 -5.092 1.00 8.00 C ATOM 1617 CG HIS A 107 -5.311 -15.509 -6.181 1.00 8.87 C ATOM 1618 ND1 HIS A 107 -6.507 -15.053 -6.695 1.00 9.79 N ATOM 1619 CD2 HIS A 107 -5.025 -16.650 -6.854 1.00 9.07 C ATOM 1620 CE1 HIS A 107 -6.925 -15.882 -7.635 1.00 10.41 C ATOM 1621 NE2 HIS A 107 -6.044 -16.857 -7.751 1.00 10.03 N ATOM 0 H HIS A 107 -2.284 -15.749 -5.555 1.00 6.60 H new ATOM 0 HA HIS A 107 -3.706 -13.400 -6.456 1.00 7.43 H new ATOM 0 HB2 HIS A 107 -4.210 -15.535 -4.369 1.00 8.00 H new ATOM 0 HB3 HIS A 107 -5.252 -14.139 -4.564 1.00 8.00 H new ATOM 0 HD2 HIS A 107 -4.158 -17.279 -6.712 1.00 9.07 H new ATOM 0 HE1 HIS A 107 -7.833 -15.779 -8.210 1.00 10.41 H new ATOM 0 HE2 HIS A 107 -6.109 -17.639 -8.402 1.00 10.03 H new ATOM 1630 N VAL A 108 -1.740 -13.371 -3.844 1.00 5.69 N ATOM 1631 CA VAL A 108 -1.164 -12.535 -2.790 1.00 5.20 C ATOM 1632 C VAL A 108 -0.267 -11.451 -3.361 1.00 4.84 C ATOM 1633 O VAL A 108 -0.568 -10.269 -3.223 1.00 5.36 O ATOM 1634 CB VAL A 108 -0.353 -13.392 -1.757 1.00 4.27 C ATOM 1635 CG1 VAL A 108 0.229 -12.538 -0.633 1.00 4.16 C ATOM 1636 CG2 VAL A 108 -1.182 -14.536 -1.195 1.00 4.80 C ATOM 0 H VAL A 108 -1.214 -14.224 -4.036 1.00 5.69 H new ATOM 0 HA VAL A 108 -2.001 -12.062 -2.277 1.00 5.20 H new ATOM 0 HB VAL A 108 0.483 -13.826 -2.306 1.00 4.27 H new ATOM 0 HG11 VAL A 108 0.782 -13.174 0.058 1.00 4.16 H new ATOM 0 HG12 VAL A 108 0.901 -11.790 -1.055 1.00 4.16 H new ATOM 0 HG13 VAL A 108 -0.580 -12.039 -0.099 1.00 4.16 H new ATOM 0 HG21 VAL A 108 -0.583 -15.104 -0.484 1.00 4.80 H new ATOM 0 HG22 VAL A 108 -2.061 -14.135 -0.690 1.00 4.80 H new ATOM 0 HG23 VAL A 108 -1.498 -15.190 -2.008 1.00 4.80 H new ATOM 1646 N MET A 109 0.827 -11.861 -3.988 1.00 4.11 N ATOM 1647 CA MET A 109 1.757 -10.916 -4.620 1.00 4.08 C ATOM 1648 C MET A 109 1.016 -10.005 -5.589 1.00 5.33 C ATOM 1649 O MET A 109 1.353 -8.824 -5.715 1.00 5.53 O ATOM 1650 CB MET A 109 2.907 -11.643 -5.291 1.00 3.81 C ATOM 1651 CG MET A 109 4.025 -11.938 -4.306 1.00 2.70 C ATOM 1652 SD MET A 109 5.493 -12.640 -5.068 1.00 3.27 S ATOM 1653 CE MET A 109 4.994 -14.345 -5.218 1.00 3.46 C ATOM 0 H MET A 109 1.098 -12.840 -4.076 1.00 4.11 H new ATOM 0 HA MET A 109 2.191 -10.287 -3.842 1.00 4.08 H new ATOM 0 HB2 MET A 109 2.546 -12.576 -5.725 1.00 3.81 H new ATOM 0 HB3 MET A 109 3.293 -11.038 -6.112 1.00 3.81 H new ATOM 0 HG2 MET A 109 4.298 -11.016 -3.793 1.00 2.70 H new ATOM 0 HG3 MET A 109 3.656 -12.627 -3.547 1.00 2.70 H new ATOM 0 HE1 MET A 109 5.289 -14.726 -6.196 1.00 3.46 H new ATOM 0 HE2 MET A 109 5.475 -14.935 -4.438 1.00 3.46 H new ATOM 0 HE3 MET A 109 3.912 -14.418 -5.112 1.00 3.46 H new ATOM 1663 N THR A 110 0.006 -10.566 -6.276 1.00 6.20 N ATOM 1664 CA THR A 110 -0.857 -9.758 -7.142 1.00 7.45 C ATOM 1665 C THR A 110 -1.750 -8.838 -6.278 1.00 7.80 C ATOM 1666 O THR A 110 -2.087 -7.730 -6.706 1.00 8.54 O ATOM 1667 CB THR A 110 -1.740 -10.640 -8.047 1.00 8.32 C ATOM 1668 OG1 THR A 110 -0.906 -11.503 -8.827 1.00 8.16 O ATOM 1669 CG2 THR A 110 -2.615 -9.817 -8.995 1.00 9.65 C ATOM 0 H THR A 110 -0.227 -11.559 -6.248 1.00 6.20 H new ATOM 0 HA THR A 110 -0.216 -9.155 -7.785 1.00 7.45 H new ATOM 0 HB THR A 110 -2.399 -11.213 -7.395 1.00 8.32 H new ATOM 0 HG1 THR A 110 -0.563 -12.226 -8.261 1.00 8.16 H new ATOM 0 HG21 THR A 110 -3.216 -10.487 -9.609 1.00 9.65 H new ATOM 0 HG22 THR A 110 -3.272 -9.170 -8.414 1.00 9.65 H new ATOM 0 HG23 THR A 110 -1.981 -9.207 -9.638 1.00 9.65 H new ATOM 1677 N ASN A 111 -2.134 -9.306 -5.059 1.00 7.42 N ATOM 1678 CA ASN A 111 -2.964 -8.496 -4.144 1.00 8.00 C ATOM 1679 C ASN A 111 -2.230 -7.222 -3.674 1.00 7.57 C ATOM 1680 O ASN A 111 -2.841 -6.152 -3.597 1.00 8.26 O ATOM 1681 CB ASN A 111 -3.395 -9.328 -2.928 1.00 7.98 C ATOM 1682 CG ASN A 111 -4.703 -8.850 -2.321 1.00 9.16 C ATOM 1683 OD1 ASN A 111 -5.782 -9.305 -2.703 1.00 9.84 O ATOM 1684 ND2 ASN A 111 -4.612 -7.926 -1.371 1.00 9.58 N ATOM 0 H ASN A 111 -1.883 -10.226 -4.697 1.00 7.42 H new ATOM 0 HA ASN A 111 -3.848 -8.186 -4.702 1.00 8.00 H new ATOM 0 HB2 ASN A 111 -3.498 -10.372 -3.226 1.00 7.98 H new ATOM 0 HB3 ASN A 111 -2.612 -9.288 -2.170 1.00 7.98 H new ATOM 0 HD21 ASN A 111 -5.457 -7.566 -0.927 1.00 9.58 H new ATOM 0 HD22 ASN A 111 -3.697 -7.577 -1.085 1.00 9.58 H new ATOM 1691 N LEU A 112 -0.924 -7.347 -3.364 1.00 6.48 N ATOM 1692 CA LEU A 112 -0.116 -6.210 -2.911 1.00 6.02 C ATOM 1693 C LEU A 112 0.453 -5.422 -4.087 1.00 6.50 C ATOM 1694 O LEU A 112 0.360 -4.192 -4.122 1.00 6.87 O ATOM 1695 CB LEU A 112 1.039 -6.653 -1.984 1.00 4.81 C ATOM 1696 CG LEU A 112 0.660 -7.398 -0.684 1.00 4.44 C ATOM 1697 CD1 LEU A 112 -0.548 -6.772 0.011 1.00 4.55 C ATOM 1698 CD2 LEU A 112 0.413 -8.867 -0.971 1.00 4.77 C ATOM 0 H LEU A 112 -0.411 -8.227 -3.421 1.00 6.48 H new ATOM 0 HA LEU A 112 -0.788 -5.566 -2.344 1.00 6.02 H new ATOM 0 HB2 LEU A 112 1.705 -7.296 -2.559 1.00 4.81 H new ATOM 0 HB3 LEU A 112 1.610 -5.766 -1.710 1.00 4.81 H new ATOM 0 HG LEU A 112 1.503 -7.307 0.001 1.00 4.44 H new ATOM 0 HD11 LEU A 112 -0.775 -7.331 0.919 1.00 4.55 H new ATOM 0 HD12 LEU A 112 -0.324 -5.737 0.268 1.00 4.55 H new ATOM 0 HD13 LEU A 112 -1.408 -6.801 -0.658 1.00 4.55 H new ATOM 0 HD21 LEU A 112 0.147 -9.379 -0.046 1.00 4.77 H new ATOM 0 HD22 LEU A 112 -0.402 -8.966 -1.688 1.00 4.77 H new ATOM 0 HD23 LEU A 112 1.317 -9.314 -1.386 1.00 4.77 H new ATOM 1710 N GLY A 113 1.040 -6.150 -5.041 1.00 6.67 N ATOM 1711 CA GLY A 113 1.631 -5.527 -6.217 1.00 7.40 C ATOM 1712 C GLY A 113 0.664 -5.404 -7.375 1.00 8.34 C ATOM 1713 O GLY A 113 -0.069 -6.347 -7.685 1.00 8.64 O ATOM 0 H GLY A 113 1.116 -7.167 -5.018 1.00 6.67 H new ATOM 0 HA2 GLY A 113 1.996 -4.535 -5.950 1.00 7.40 H new ATOM 0 HA3 GLY A 113 2.495 -6.111 -6.534 1.00 7.40 H new ATOM 1717 N GLU A 114 0.674 -4.230 -8.012 1.00 8.94 N ATOM 1718 CA GLU A 114 -0.192 -3.947 -9.161 1.00 10.00 C ATOM 1719 C GLU A 114 0.488 -4.338 -10.466 1.00 10.47 C ATOM 1720 O GLU A 114 -0.172 -4.713 -11.439 1.00 11.33 O ATOM 1721 CB GLU A 114 -0.560 -2.463 -9.201 1.00 10.43 C ATOM 1722 CG GLU A 114 -1.526 -2.033 -8.105 1.00 10.39 C ATOM 1723 CD GLU A 114 -1.864 -0.557 -8.174 1.00 11.02 C ATOM 1724 OE1 GLU A 114 -1.149 0.246 -7.537 1.00 11.20 O ATOM 1725 OE2 GLU A 114 -2.843 -0.203 -8.864 1.00 11.47 O ATOM 0 H GLU A 114 1.279 -3.452 -7.748 1.00 8.94 H new ATOM 0 HA GLU A 114 -1.100 -4.540 -9.047 1.00 10.00 H new ATOM 0 HB2 GLU A 114 0.352 -1.871 -9.120 1.00 10.43 H new ATOM 0 HB3 GLU A 114 -1.003 -2.235 -10.171 1.00 10.43 H new ATOM 0 HG2 GLU A 114 -2.443 -2.616 -8.185 1.00 10.39 H new ATOM 0 HG3 GLU A 114 -1.089 -2.257 -7.132 1.00 10.39 H new ATOM 1732 N LYS A 115 1.814 -4.242 -10.460 1.00 10.04 N ATOM 1733 CA LYS A 115 2.643 -4.579 -11.621 1.00 10.61 C ATOM 1734 C LYS A 115 3.098 -6.026 -11.573 1.00 10.14 C ATOM 1735 O LYS A 115 3.245 -6.692 -12.602 1.00 10.70 O ATOM 1736 CB LYS A 115 3.874 -3.666 -11.693 1.00 11.03 C ATOM 1737 CG LYS A 115 4.660 -3.621 -10.377 1.00 10.36 C ATOM 1738 CD LYS A 115 4.688 -2.221 -9.766 1.00 10.71 C ATOM 1739 CE LYS A 115 3.330 -1.823 -9.193 1.00 10.61 C ATOM 1740 NZ LYS A 115 3.252 -0.365 -8.901 1.00 10.83 N ATOM 0 H LYS A 115 2.349 -3.928 -9.650 1.00 10.04 H new ATOM 0 HA LYS A 115 2.029 -4.432 -12.510 1.00 10.61 H new ATOM 0 HB2 LYS A 115 4.531 -4.012 -12.491 1.00 11.03 H new ATOM 0 HB3 LYS A 115 3.557 -2.657 -11.956 1.00 11.03 H new ATOM 0 HG2 LYS A 115 4.214 -4.316 -9.666 1.00 10.36 H new ATOM 0 HG3 LYS A 115 5.681 -3.958 -10.555 1.00 10.36 H new ATOM 0 HD2 LYS A 115 5.440 -2.184 -8.978 1.00 10.71 H new ATOM 0 HD3 LYS A 115 4.987 -1.499 -10.526 1.00 10.71 H new ATOM 0 HE2 LYS A 115 2.545 -2.093 -9.900 1.00 10.61 H new ATOM 0 HE3 LYS A 115 3.143 -2.386 -8.279 1.00 10.61 H new ATOM 0 HZ1 LYS A 115 2.293 -0.020 -9.108 1.00 10.83 H new ATOM 0 HZ2 LYS A 115 3.471 -0.200 -7.898 1.00 10.83 H new ATOM 0 HZ3 LYS A 115 3.938 0.145 -9.493 1.00 10.83 H new ATOM 1754 N LEU A 116 3.311 -6.481 -10.348 1.00 9.19 N ATOM 1755 CA LEU A 116 3.780 -7.822 -10.060 1.00 8.69 C ATOM 1756 C LEU A 116 2.761 -8.885 -10.494 1.00 9.07 C ATOM 1757 O LEU A 116 1.620 -8.894 -10.019 1.00 9.05 O ATOM 1758 CB LEU A 116 4.052 -7.931 -8.568 1.00 7.40 C ATOM 1759 CG LEU A 116 5.288 -7.170 -8.057 1.00 6.84 C ATOM 1760 CD1 LEU A 116 5.077 -6.699 -6.625 1.00 6.44 C ATOM 1761 CD2 LEU A 116 6.535 -8.038 -8.139 1.00 6.43 C ATOM 0 H LEU A 116 3.159 -5.916 -9.513 1.00 9.19 H new ATOM 0 HA LEU A 116 4.694 -8.004 -10.625 1.00 8.69 H new ATOM 0 HB2 LEU A 116 3.176 -7.567 -8.030 1.00 7.40 H new ATOM 0 HB3 LEU A 116 4.167 -8.985 -8.314 1.00 7.40 H new ATOM 0 HG LEU A 116 5.429 -6.299 -8.697 1.00 6.84 H new ATOM 0 HD11 LEU A 116 5.963 -6.163 -6.284 1.00 6.44 H new ATOM 0 HD12 LEU A 116 4.213 -6.035 -6.584 1.00 6.44 H new ATOM 0 HD13 LEU A 116 4.903 -7.561 -5.980 1.00 6.44 H new ATOM 0 HD21 LEU A 116 7.394 -7.476 -7.772 1.00 6.43 H new ATOM 0 HD22 LEU A 116 6.398 -8.931 -7.529 1.00 6.43 H new ATOM 0 HD23 LEU A 116 6.708 -8.330 -9.175 1.00 6.43 H new ATOM 1773 N THR A 117 3.184 -9.764 -11.403 1.00 9.56 N ATOM 1774 CA THR A 117 2.329 -10.811 -11.928 1.00 10.01 C ATOM 1775 C THR A 117 2.633 -12.184 -11.390 1.00 9.24 C ATOM 1776 O THR A 117 3.449 -12.378 -10.492 1.00 8.29 O ATOM 1777 CB THR A 117 2.394 -10.917 -13.460 1.00 11.26 C ATOM 1778 OG1 THR A 117 3.748 -10.799 -13.919 1.00 11.46 O ATOM 1779 CG2 THR A 117 1.540 -9.849 -14.072 1.00 12.18 C ATOM 0 H THR A 117 4.127 -9.764 -11.791 1.00 9.56 H new ATOM 0 HA THR A 117 1.337 -10.503 -11.598 1.00 10.01 H new ATOM 0 HB THR A 117 2.019 -11.894 -13.763 1.00 11.26 H new ATOM 0 HG1 THR A 117 3.770 -10.871 -14.896 1.00 11.46 H new ATOM 0 HG21 THR A 117 1.586 -9.924 -15.158 1.00 12.18 H new ATOM 0 HG22 THR A 117 0.508 -9.975 -13.743 1.00 12.18 H new ATOM 0 HG23 THR A 117 1.903 -8.870 -13.760 1.00 12.18 H new ATOM 1787 N ASP A 118 1.900 -13.121 -11.971 1.00 9.74 N ATOM 1788 CA ASP A 118 2.001 -14.542 -11.697 1.00 9.28 C ATOM 1789 C ASP A 118 3.350 -15.100 -12.102 1.00 9.42 C ATOM 1790 O ASP A 118 3.828 -16.077 -11.519 1.00 8.80 O ATOM 1791 CB ASP A 118 0.903 -15.222 -12.485 1.00 10.08 C ATOM 1792 CG ASP A 118 -0.405 -15.309 -11.724 1.00 9.81 C ATOM 1793 OD1 ASP A 118 -1.001 -14.249 -11.442 1.00 9.86 O ATOM 1794 OD2 ASP A 118 -0.836 -16.440 -11.415 1.00 9.76 O ATOM 0 H ASP A 118 1.192 -12.902 -12.672 1.00 9.74 H new ATOM 0 HA ASP A 118 1.897 -14.719 -10.627 1.00 9.28 H new ATOM 0 HB2 ASP A 118 0.740 -14.678 -13.415 1.00 10.08 H new ATOM 0 HB3 ASP A 118 1.227 -16.227 -12.756 1.00 10.08 H new ATOM 1799 N GLU A 119 3.952 -14.466 -13.106 1.00 10.37 N ATOM 1800 CA GLU A 119 5.274 -14.854 -13.584 1.00 10.83 C ATOM 1801 C GLU A 119 6.313 -14.565 -12.515 1.00 10.04 C ATOM 1802 O GLU A 119 7.406 -15.134 -12.527 1.00 10.27 O ATOM 1803 CB GLU A 119 5.630 -14.157 -14.902 1.00 12.10 C ATOM 1804 CG GLU A 119 4.852 -14.676 -16.103 1.00 13.08 C ATOM 1805 CD GLU A 119 5.226 -13.967 -17.390 1.00 14.16 C ATOM 1806 OE1 GLU A 119 6.155 -14.439 -18.079 1.00 14.50 O ATOM 1807 OE2 GLU A 119 4.591 -12.940 -17.708 1.00 14.78 O ATOM 0 H GLU A 119 3.541 -13.677 -13.606 1.00 10.37 H new ATOM 0 HA GLU A 119 5.262 -15.925 -13.786 1.00 10.83 H new ATOM 0 HB2 GLU A 119 5.447 -13.088 -14.797 1.00 12.10 H new ATOM 0 HB3 GLU A 119 6.696 -14.281 -15.091 1.00 12.10 H new ATOM 0 HG2 GLU A 119 5.034 -15.745 -16.215 1.00 13.08 H new ATOM 0 HG3 GLU A 119 3.784 -14.552 -15.921 1.00 13.08 H new ATOM 1814 N GLU A 120 5.945 -13.663 -11.593 1.00 9.24 N ATOM 1815 CA GLU A 120 6.771 -13.353 -10.435 1.00 8.40 C ATOM 1816 C GLU A 120 6.771 -14.599 -9.572 1.00 7.57 C ATOM 1817 O GLU A 120 7.814 -15.049 -9.110 1.00 7.44 O ATOM 1818 CB GLU A 120 6.204 -12.162 -9.634 1.00 7.71 C ATOM 1819 CG GLU A 120 7.188 -11.498 -8.667 1.00 7.14 C ATOM 1820 CD GLU A 120 8.369 -10.832 -9.358 1.00 8.10 C ATOM 1821 OE1 GLU A 120 8.159 -9.808 -10.040 1.00 8.52 O ATOM 1822 OE2 GLU A 120 9.502 -11.338 -9.215 1.00 8.58 O ATOM 0 H GLU A 120 5.073 -13.136 -11.635 1.00 9.24 H new ATOM 0 HA GLU A 120 7.775 -13.070 -10.750 1.00 8.40 H new ATOM 0 HB2 GLU A 120 5.847 -11.409 -10.337 1.00 7.71 H new ATOM 0 HB3 GLU A 120 5.338 -12.505 -9.067 1.00 7.71 H new ATOM 0 HG2 GLU A 120 6.656 -10.752 -8.076 1.00 7.14 H new ATOM 0 HG3 GLU A 120 7.562 -12.249 -7.971 1.00 7.14 H new ATOM 1829 N VAL A 121 5.575 -15.201 -9.435 1.00 7.19 N ATOM 1830 CA VAL A 121 5.404 -16.391 -8.661 1.00 6.42 C ATOM 1831 C VAL A 121 6.084 -17.584 -9.329 1.00 7.15 C ATOM 1832 O VAL A 121 6.903 -18.252 -8.703 1.00 6.95 O ATOM 1833 CB VAL A 121 3.896 -16.645 -8.436 1.00 5.97 C ATOM 1834 CG1 VAL A 121 3.697 -17.772 -7.468 1.00 5.00 C ATOM 1835 CG2 VAL A 121 3.197 -15.387 -7.921 1.00 5.72 C ATOM 0 H VAL A 121 4.717 -14.858 -9.867 1.00 7.19 H new ATOM 0 HA VAL A 121 5.882 -16.259 -7.691 1.00 6.42 H new ATOM 0 HB VAL A 121 3.454 -16.915 -9.395 1.00 5.97 H new ATOM 0 HG11 VAL A 121 2.630 -17.940 -7.319 1.00 5.00 H new ATOM 0 HG12 VAL A 121 4.155 -18.678 -7.865 1.00 5.00 H new ATOM 0 HG13 VAL A 121 4.161 -17.519 -6.515 1.00 5.00 H new ATOM 0 HG21 VAL A 121 2.137 -15.595 -7.772 1.00 5.72 H new ATOM 0 HG22 VAL A 121 3.644 -15.084 -6.974 1.00 5.72 H new ATOM 0 HG23 VAL A 121 3.310 -14.584 -8.649 1.00 5.72 H new ATOM 1845 N ASP A 122 5.784 -17.795 -10.613 1.00 8.17 N ATOM 1846 CA ASP A 122 6.369 -18.909 -11.395 1.00 9.00 C ATOM 1847 C ASP A 122 7.896 -18.819 -11.433 1.00 9.58 C ATOM 1848 O ASP A 122 8.580 -19.826 -11.619 1.00 10.07 O ATOM 1849 CB ASP A 122 5.812 -18.935 -12.822 1.00 10.08 C ATOM 1850 CG ASP A 122 4.331 -19.265 -12.869 1.00 9.97 C ATOM 1851 OD1 ASP A 122 3.513 -18.321 -12.891 1.00 10.09 O ATOM 1852 OD2 ASP A 122 3.990 -20.466 -12.883 1.00 9.98 O ATOM 0 H ASP A 122 5.137 -17.211 -11.143 1.00 8.17 H new ATOM 0 HA ASP A 122 6.089 -19.836 -10.895 1.00 9.00 H new ATOM 0 HB2 ASP A 122 5.978 -17.965 -13.290 1.00 10.08 H new ATOM 0 HB3 ASP A 122 6.362 -19.670 -13.409 1.00 10.08 H new ATOM 1857 N GLU A 123 8.404 -17.594 -11.245 1.00 9.61 N ATOM 1858 CA GLU A 123 9.844 -17.316 -11.220 1.00 10.24 C ATOM 1859 C GLU A 123 10.470 -17.855 -9.925 1.00 9.65 C ATOM 1860 O GLU A 123 11.554 -18.445 -9.957 1.00 10.36 O ATOM 1861 CB GLU A 123 10.099 -15.807 -11.345 1.00 10.45 C ATOM 1862 CG GLU A 123 11.416 -15.456 -12.025 1.00 11.70 C ATOM 1863 CD GLU A 123 11.628 -13.960 -12.149 1.00 11.94 C ATOM 1864 OE1 GLU A 123 11.195 -13.382 -13.168 1.00 12.02 O ATOM 1865 OE2 GLU A 123 12.226 -13.366 -11.227 1.00 12.16 O ATOM 0 H GLU A 123 7.825 -16.766 -11.106 1.00 9.61 H new ATOM 0 HA GLU A 123 10.309 -17.820 -12.068 1.00 10.24 H new ATOM 0 HB2 GLU A 123 9.281 -15.356 -11.906 1.00 10.45 H new ATOM 0 HB3 GLU A 123 10.086 -15.363 -10.350 1.00 10.45 H new ATOM 0 HG2 GLU A 123 12.240 -15.890 -11.459 1.00 11.70 H new ATOM 0 HG3 GLU A 123 11.439 -15.906 -13.018 1.00 11.70 H new ATOM 1872 N MET A 124 9.775 -17.645 -8.789 1.00 8.45 N ATOM 1873 CA MET A 124 10.252 -18.137 -7.484 1.00 7.91 C ATOM 1874 C MET A 124 9.817 -19.565 -7.223 1.00 7.70 C ATOM 1875 O MET A 124 10.393 -20.246 -6.369 1.00 7.76 O ATOM 1876 CB MET A 124 9.873 -17.232 -6.295 1.00 6.78 C ATOM 1877 CG MET A 124 8.496 -16.582 -6.363 1.00 6.98 C ATOM 1878 SD MET A 124 8.525 -14.865 -5.816 1.00 6.62 S ATOM 1879 CE MET A 124 9.368 -14.099 -7.196 1.00 7.40 C ATOM 0 H MET A 124 8.889 -17.142 -8.750 1.00 8.45 H new ATOM 0 HA MET A 124 11.339 -18.110 -7.558 1.00 7.91 H new ATOM 0 HB2 MET A 124 9.929 -17.824 -5.381 1.00 6.78 H new ATOM 0 HB3 MET A 124 10.621 -16.444 -6.211 1.00 6.78 H new ATOM 0 HG2 MET A 124 8.124 -16.629 -7.387 1.00 6.98 H new ATOM 0 HG3 MET A 124 7.799 -17.147 -5.744 1.00 6.98 H new ATOM 0 HE1 MET A 124 10.077 -13.360 -6.824 1.00 7.40 H new ATOM 0 HE2 MET A 124 9.902 -14.861 -7.764 1.00 7.40 H new ATOM 0 HE3 MET A 124 8.639 -13.609 -7.841 1.00 7.40 H new ATOM 1889 N ILE A 125 8.800 -20.018 -7.961 1.00 7.60 N ATOM 1890 CA ILE A 125 8.296 -21.371 -7.823 1.00 7.41 C ATOM 1891 C ILE A 125 9.355 -22.415 -8.178 1.00 8.49 C ATOM 1892 O ILE A 125 9.526 -23.400 -7.461 1.00 8.45 O ATOM 1893 CB ILE A 125 7.025 -21.595 -8.640 1.00 7.24 C ATOM 1894 CG1 ILE A 125 5.883 -20.769 -8.055 1.00 6.16 C ATOM 1895 CG2 ILE A 125 6.696 -23.052 -8.591 1.00 7.27 C ATOM 1896 CD1 ILE A 125 4.687 -20.651 -8.944 1.00 6.48 C ATOM 0 H ILE A 125 8.313 -19.458 -8.661 1.00 7.60 H new ATOM 0 HA ILE A 125 8.042 -21.497 -6.771 1.00 7.41 H new ATOM 0 HB ILE A 125 7.173 -21.283 -9.674 1.00 7.24 H new ATOM 0 HG12 ILE A 125 5.575 -21.216 -7.110 1.00 6.16 H new ATOM 0 HG13 ILE A 125 6.253 -19.769 -7.829 1.00 6.16 H new ATOM 0 HG21 ILE A 125 5.790 -23.240 -9.168 1.00 7.27 H new ATOM 0 HG22 ILE A 125 7.521 -23.626 -9.013 1.00 7.27 H new ATOM 0 HG23 ILE A 125 6.536 -23.354 -7.556 1.00 7.27 H new ATOM 0 HD11 ILE A 125 3.925 -20.048 -8.450 1.00 6.48 H new ATOM 0 HD12 ILE A 125 4.976 -20.175 -9.881 1.00 6.48 H new ATOM 0 HD13 ILE A 125 4.287 -21.644 -9.150 1.00 6.48 H new ATOM 1908 N ARG A 126 10.003 -22.200 -9.316 1.00 9.53 N ATOM 1909 CA ARG A 126 11.109 -23.058 -9.808 1.00 10.70 C ATOM 1910 C ARG A 126 12.081 -23.411 -8.674 1.00 10.89 C ATOM 1911 O ARG A 126 12.601 -24.529 -8.618 1.00 11.45 O ATOM 1912 CB ARG A 126 11.902 -22.359 -10.922 1.00 11.76 C ATOM 1913 CG ARG A 126 11.065 -21.869 -12.094 1.00 12.03 C ATOM 1914 CD ARG A 126 11.392 -20.423 -12.416 1.00 12.20 C ATOM 1915 NE ARG A 126 10.591 -19.911 -13.534 1.00 12.92 N ATOM 1916 CZ ARG A 126 10.853 -18.781 -14.207 1.00 13.50 C ATOM 1917 NH1 ARG A 126 11.899 -18.019 -13.893 1.00 13.44 N ATOM 1918 NH2 ARG A 126 10.059 -18.413 -15.202 1.00 14.26 N ATOM 0 H ARG A 126 9.785 -21.423 -9.939 1.00 9.53 H new ATOM 0 HA ARG A 126 10.652 -23.967 -10.198 1.00 10.70 H new ATOM 0 HB2 ARG A 126 12.432 -21.509 -10.492 1.00 11.76 H new ATOM 0 HB3 ARG A 126 12.658 -23.049 -11.298 1.00 11.76 H new ATOM 0 HG2 ARG A 126 11.252 -22.493 -12.968 1.00 12.03 H new ATOM 0 HG3 ARG A 126 10.006 -21.964 -11.856 1.00 12.03 H new ATOM 0 HD2 ARG A 126 11.217 -19.807 -11.534 1.00 12.20 H new ATOM 0 HD3 ARG A 126 12.451 -20.337 -12.660 1.00 12.20 H new ATOM 0 HE ARG A 126 9.776 -20.454 -13.820 1.00 12.92 H new ATOM 0 HH11 ARG A 126 12.517 -18.291 -13.129 1.00 13.44 H new ATOM 0 HH12 ARG A 126 12.082 -17.163 -14.417 1.00 13.44 H new ATOM 0 HH21 ARG A 126 9.254 -18.988 -15.452 1.00 14.26 H new ATOM 0 HH22 ARG A 126 10.252 -17.555 -15.718 1.00 14.26 H new ATOM 1932 N GLU A 127 12.314 -22.434 -7.774 1.00 10.50 N ATOM 1933 CA GLU A 127 13.189 -22.625 -6.614 1.00 10.79 C ATOM 1934 C GLU A 127 12.460 -23.380 -5.498 1.00 10.06 C ATOM 1935 O GLU A 127 13.084 -24.121 -4.732 1.00 10.61 O ATOM 1936 CB GLU A 127 13.671 -21.273 -6.086 1.00 10.70 C ATOM 1937 CG GLU A 127 14.735 -20.605 -6.955 1.00 11.77 C ATOM 1938 CD GLU A 127 16.121 -21.195 -6.758 1.00 12.85 C ATOM 1939 OE1 GLU A 127 16.862 -20.692 -5.886 1.00 13.26 O ATOM 1940 OE2 GLU A 127 16.463 -22.159 -7.474 1.00 13.42 O ATOM 0 H GLU A 127 11.903 -21.502 -7.835 1.00 10.50 H new ATOM 0 HA GLU A 127 14.047 -23.216 -6.934 1.00 10.79 H new ATOM 0 HB2 GLU A 127 12.815 -20.603 -6.000 1.00 10.70 H new ATOM 0 HB3 GLU A 127 14.071 -21.410 -5.081 1.00 10.70 H new ATOM 0 HG2 GLU A 127 14.452 -20.700 -8.003 1.00 11.77 H new ATOM 0 HG3 GLU A 127 14.765 -19.539 -6.728 1.00 11.77 H new ATOM 1947 N ALA A 128 11.132 -23.179 -5.420 1.00 8.89 N ATOM 1948 CA ALA A 128 10.288 -23.836 -4.415 1.00 8.16 C ATOM 1949 C ALA A 128 10.009 -25.307 -4.735 1.00 8.57 C ATOM 1950 O ALA A 128 9.750 -26.102 -3.827 1.00 8.66 O ATOM 1951 CB ALA A 128 8.966 -23.114 -4.338 1.00 6.87 C ATOM 0 H ALA A 128 10.620 -22.560 -6.049 1.00 8.89 H new ATOM 0 HA ALA A 128 10.830 -23.797 -3.470 1.00 8.16 H new ATOM 0 HB1 ALA A 128 8.332 -23.595 -3.594 1.00 6.87 H new ATOM 0 HB2 ALA A 128 9.135 -22.075 -4.054 1.00 6.87 H new ATOM 0 HB3 ALA A 128 8.475 -23.149 -5.310 1.00 6.87 H new ATOM 1957 N ALA A 129 10.050 -25.644 -6.042 1.00 8.95 N ATOM 1958 CA ALA A 129 9.761 -26.999 -6.573 1.00 9.43 C ATOM 1959 C ALA A 129 8.246 -27.198 -6.668 1.00 8.51 C ATOM 1960 O ALA A 129 7.722 -27.509 -7.740 1.00 8.76 O ATOM 1961 CB ALA A 129 10.426 -28.124 -5.766 1.00 10.42 C ATOM 0 H ALA A 129 10.289 -24.973 -6.772 1.00 8.95 H new ATOM 0 HA ALA A 129 10.200 -27.061 -7.569 1.00 9.43 H new ATOM 0 HB1 ALA A 129 10.173 -29.088 -6.209 1.00 10.42 H new ATOM 0 HB2 ALA A 129 11.508 -27.991 -5.779 1.00 10.42 H new ATOM 0 HB3 ALA A 129 10.069 -28.093 -4.736 1.00 10.42 H new ATOM 1967 N ILE A 130 7.551 -26.996 -5.524 1.00 7.54 N ATOM 1968 CA ILE A 130 6.075 -27.088 -5.416 1.00 6.69 C ATOM 1969 C ILE A 130 5.527 -28.514 -5.554 1.00 6.68 C ATOM 1970 O ILE A 130 4.630 -28.918 -4.812 1.00 6.97 O ATOM 1971 CB ILE A 130 5.379 -26.097 -6.421 1.00 5.80 C ATOM 1972 CG1 ILE A 130 4.359 -25.211 -5.697 1.00 5.43 C ATOM 1973 CG2 ILE A 130 4.710 -26.791 -7.612 1.00 6.19 C ATOM 1974 CD1 ILE A 130 4.944 -23.957 -5.067 1.00 4.53 C ATOM 0 H ILE A 130 8.004 -26.762 -4.640 1.00 7.54 H new ATOM 0 HA ILE A 130 5.826 -26.786 -4.399 1.00 6.69 H new ATOM 0 HB ILE A 130 6.182 -25.483 -6.827 1.00 5.80 H new ATOM 0 HG12 ILE A 130 3.584 -24.918 -6.406 1.00 5.43 H new ATOM 0 HG13 ILE A 130 3.873 -25.800 -4.919 1.00 5.43 H new ATOM 0 HG21 ILE A 130 4.253 -26.043 -8.259 1.00 6.19 H new ATOM 0 HG22 ILE A 130 5.458 -27.349 -8.175 1.00 6.19 H new ATOM 0 HG23 ILE A 130 3.943 -27.476 -7.250 1.00 6.19 H new ATOM 0 HD11 ILE A 130 4.151 -23.392 -4.577 1.00 4.53 H new ATOM 0 HD12 ILE A 130 5.697 -24.237 -4.331 1.00 4.53 H new ATOM 0 HD13 ILE A 130 5.404 -23.342 -5.840 1.00 4.53 H new ATOM 1986 N ASP A 131 6.086 -29.246 -6.508 1.00 6.58 N ATOM 1987 CA ASP A 131 5.683 -30.624 -6.823 1.00 6.68 C ATOM 1988 C ASP A 131 5.721 -31.552 -5.603 1.00 6.59 C ATOM 1989 O ASP A 131 6.466 -31.313 -4.648 1.00 6.80 O ATOM 1990 CB ASP A 131 6.567 -31.179 -7.947 1.00 7.70 C ATOM 1991 CG ASP A 131 5.867 -32.241 -8.779 1.00 7.98 C ATOM 1992 OD1 ASP A 131 5.970 -33.435 -8.427 1.00 8.18 O ATOM 1993 OD2 ASP A 131 5.216 -31.876 -9.781 1.00 8.25 O ATOM 0 H ASP A 131 6.844 -28.901 -7.097 1.00 6.58 H new ATOM 0 HA ASP A 131 4.644 -30.589 -7.152 1.00 6.68 H new ATOM 0 HB2 ASP A 131 6.876 -30.361 -8.597 1.00 7.70 H new ATOM 0 HB3 ASP A 131 7.473 -31.602 -7.514 1.00 7.70 H new ATOM 1998 N GLY A 132 4.902 -32.607 -5.669 1.00 6.49 N ATOM 1999 CA GLY A 132 4.798 -33.565 -4.583 1.00 6.52 C ATOM 2000 C GLY A 132 3.544 -33.332 -3.766 1.00 5.87 C ATOM 2001 O GLY A 132 2.755 -34.256 -3.548 1.00 6.01 O ATOM 0 H GLY A 132 4.303 -32.812 -6.469 1.00 6.49 H new ATOM 0 HA2 GLY A 132 4.789 -34.577 -4.987 1.00 6.52 H new ATOM 0 HA3 GLY A 132 5.674 -33.486 -3.940 1.00 6.52 H new ATOM 2005 N ASP A 133 3.372 -32.085 -3.320 1.00 5.34 N ATOM 2006 CA ASP A 133 2.214 -31.679 -2.528 1.00 4.95 C ATOM 2007 C ASP A 133 1.413 -30.687 -3.322 1.00 4.57 C ATOM 2008 O ASP A 133 0.185 -30.607 -3.221 1.00 4.65 O ATOM 2009 CB ASP A 133 2.648 -30.963 -1.262 1.00 4.99 C ATOM 2010 CG ASP A 133 3.562 -31.790 -0.373 1.00 5.63 C ATOM 2011 OD1 ASP A 133 3.043 -32.520 0.497 1.00 6.07 O ATOM 2012 OD2 ASP A 133 4.796 -31.705 -0.548 1.00 5.97 O ATOM 0 H ASP A 133 4.034 -31.330 -3.499 1.00 5.34 H new ATOM 0 HA ASP A 133 1.643 -32.574 -2.280 1.00 4.95 H new ATOM 0 HB2 ASP A 133 3.160 -30.040 -1.535 1.00 4.99 H new ATOM 0 HB3 ASP A 133 1.762 -30.680 -0.694 1.00 4.99 H new ATOM 2017 N GLY A 134 2.164 -29.933 -4.120 1.00 4.47 N ATOM 2018 CA GLY A 134 1.615 -28.904 -4.935 1.00 4.33 C ATOM 2019 C GLY A 134 1.580 -27.535 -4.255 1.00 3.73 C ATOM 2020 O GLY A 134 1.386 -26.515 -4.921 1.00 3.75 O ATOM 0 H GLY A 134 3.175 -30.036 -4.205 1.00 4.47 H new ATOM 0 HA2 GLY A 134 2.198 -28.829 -5.853 1.00 4.33 H new ATOM 0 HA3 GLY A 134 0.601 -29.183 -5.223 1.00 4.33 H new ATOM 2024 N GLN A 135 1.768 -27.528 -2.930 1.00 3.55 N ATOM 2025 CA GLN A 135 1.784 -26.307 -2.126 1.00 3.33 C ATOM 2026 C GLN A 135 3.222 -25.961 -1.681 1.00 3.69 C ATOM 2027 O GLN A 135 4.173 -26.643 -2.080 1.00 4.33 O ATOM 2028 CB GLN A 135 0.846 -26.485 -0.923 1.00 3.82 C ATOM 2029 CG GLN A 135 1.026 -27.779 -0.127 1.00 4.41 C ATOM 2030 CD GLN A 135 0.097 -27.863 1.069 1.00 5.26 C ATOM 2031 OE1 GLN A 135 0.441 -27.429 2.168 1.00 5.74 O ATOM 2032 NE2 GLN A 135 -1.089 -28.423 0.859 1.00 5.78 N ATOM 0 H GLN A 135 1.914 -28.377 -2.385 1.00 3.55 H new ATOM 0 HA GLN A 135 1.428 -25.470 -2.726 1.00 3.33 H new ATOM 0 HB2 GLN A 135 0.988 -25.642 -0.247 1.00 3.82 H new ATOM 0 HB3 GLN A 135 -0.183 -26.439 -1.278 1.00 3.82 H new ATOM 0 HG2 GLN A 135 0.847 -28.632 -0.782 1.00 4.41 H new ATOM 0 HG3 GLN A 135 2.059 -27.850 0.214 1.00 4.41 H new ATOM 0 HE21 GLN A 135 -1.332 -28.769 -0.069 1.00 5.78 H new ATOM 0 HE22 GLN A 135 -1.756 -28.507 1.626 1.00 5.78 H new ATOM 2041 N VAL A 136 3.378 -24.904 -0.859 1.00 3.59 N ATOM 2042 CA VAL A 136 4.693 -24.480 -0.374 1.00 4.23 C ATOM 2043 C VAL A 136 4.616 -23.888 1.043 1.00 4.67 C ATOM 2044 O VAL A 136 3.566 -23.921 1.688 1.00 4.74 O ATOM 2045 CB VAL A 136 5.383 -23.500 -1.389 1.00 4.02 C ATOM 2046 CG1 VAL A 136 4.706 -22.131 -1.435 1.00 3.51 C ATOM 2047 CG2 VAL A 136 6.886 -23.357 -1.137 1.00 5.08 C ATOM 0 H VAL A 136 2.604 -24.332 -0.521 1.00 3.59 H new ATOM 0 HA VAL A 136 5.321 -25.368 -0.305 1.00 4.23 H new ATOM 0 HB VAL A 136 5.258 -23.959 -2.370 1.00 4.02 H new ATOM 0 HG11 VAL A 136 5.223 -21.493 -2.152 1.00 3.51 H new ATOM 0 HG12 VAL A 136 3.666 -22.249 -1.739 1.00 3.51 H new ATOM 0 HG13 VAL A 136 4.746 -21.672 -0.447 1.00 3.51 H new ATOM 0 HG21 VAL A 136 7.313 -22.669 -1.866 1.00 5.08 H new ATOM 0 HG22 VAL A 136 7.051 -22.969 -0.132 1.00 5.08 H new ATOM 0 HG23 VAL A 136 7.365 -24.331 -1.233 1.00 5.08 H new ATOM 2057 N ASN A 137 5.752 -23.359 1.498 1.00 5.28 N ATOM 2058 CA ASN A 137 5.864 -22.769 2.832 1.00 5.95 C ATOM 2059 C ASN A 137 5.844 -21.237 2.774 1.00 5.49 C ATOM 2060 O ASN A 137 5.686 -20.632 1.710 1.00 4.60 O ATOM 2061 CB ASN A 137 7.132 -23.243 3.575 1.00 7.18 C ATOM 2062 CG ASN A 137 7.361 -24.741 3.522 1.00 7.90 C ATOM 2063 OD1 ASN A 137 7.164 -25.441 4.514 1.00 8.11 O ATOM 2064 ND2 ASN A 137 7.780 -25.239 2.364 1.00 8.51 N ATOM 0 H ASN A 137 6.616 -23.327 0.956 1.00 5.28 H new ATOM 0 HA ASN A 137 4.993 -23.113 3.390 1.00 5.95 H new ATOM 0 HB2 ASN A 137 7.999 -22.739 3.148 1.00 7.18 H new ATOM 0 HB3 ASN A 137 7.065 -22.934 4.618 1.00 7.18 H new ATOM 0 HD21 ASN A 137 7.952 -26.240 2.272 1.00 8.51 H new ATOM 0 HD22 ASN A 137 7.930 -24.620 1.567 1.00 8.51 H new ATOM 2071 N TYR A 138 6.041 -20.649 3.947 1.00 6.22 N ATOM 2072 CA TYR A 138 6.022 -19.206 4.180 1.00 6.03 C ATOM 2073 C TYR A 138 7.439 -18.639 4.280 1.00 6.55 C ATOM 2074 O TYR A 138 7.718 -17.536 3.803 1.00 6.13 O ATOM 2075 CB TYR A 138 5.255 -18.942 5.492 1.00 6.78 C ATOM 2076 CG TYR A 138 5.414 -20.081 6.481 1.00 7.93 C ATOM 2077 CD1 TYR A 138 5.976 -19.896 7.732 1.00 8.62 C ATOM 2078 CD2 TYR A 138 5.046 -21.366 6.112 1.00 8.50 C ATOM 2079 CE1 TYR A 138 6.164 -20.968 8.583 1.00 9.65 C ATOM 2080 CE2 TYR A 138 5.223 -22.425 6.937 1.00 9.54 C ATOM 2081 CZ TYR A 138 5.787 -22.236 8.180 1.00 10.06 C ATOM 2082 OH TYR A 138 5.970 -23.308 9.023 1.00 11.13 O ATOM 0 H TYR A 138 6.226 -21.183 4.796 1.00 6.22 H new ATOM 0 HA TYR A 138 5.532 -18.712 3.341 1.00 6.03 H new ATOM 0 HB2 TYR A 138 5.615 -18.017 5.943 1.00 6.78 H new ATOM 0 HB3 TYR A 138 4.197 -18.798 5.271 1.00 6.78 H new ATOM 0 HD1 TYR A 138 6.270 -18.905 8.046 1.00 8.62 H new ATOM 0 HD2 TYR A 138 4.606 -21.527 5.139 1.00 8.50 H new ATOM 0 HE1 TYR A 138 6.603 -20.817 9.558 1.00 9.65 H new ATOM 0 HE2 TYR A 138 4.923 -23.414 6.622 1.00 9.54 H new ATOM 0 HH TYR A 138 5.651 -24.125 8.587 1.00 11.13 H new ATOM 2092 N GLU A 139 8.322 -19.423 4.912 1.00 7.59 N ATOM 2093 CA GLU A 139 9.728 -19.054 5.125 1.00 8.39 C ATOM 2094 C GLU A 139 10.578 -19.278 3.877 1.00 8.26 C ATOM 2095 O GLU A 139 11.658 -18.705 3.746 1.00 8.61 O ATOM 2096 CB GLU A 139 10.307 -19.898 6.254 1.00 9.64 C ATOM 2097 CG GLU A 139 9.766 -19.555 7.635 1.00 10.21 C ATOM 2098 CD GLU A 139 10.364 -20.419 8.728 1.00 11.39 C ATOM 2099 OE1 GLU A 139 9.790 -21.490 9.018 1.00 11.90 O ATOM 2100 OE2 GLU A 139 11.406 -20.026 9.293 1.00 11.94 O ATOM 0 H GLU A 139 8.079 -20.338 5.293 1.00 7.59 H new ATOM 0 HA GLU A 139 9.751 -17.993 5.372 1.00 8.39 H new ATOM 0 HB2 GLU A 139 10.103 -20.949 6.048 1.00 9.64 H new ATOM 0 HB3 GLU A 139 11.390 -19.779 6.262 1.00 9.64 H new ATOM 0 HG2 GLU A 139 9.973 -18.507 7.852 1.00 10.21 H new ATOM 0 HG3 GLU A 139 8.682 -19.673 7.636 1.00 10.21 H new ATOM 2107 N GLU A 140 10.101 -20.157 3.001 1.00 7.94 N ATOM 2108 CA GLU A 140 10.808 -20.483 1.759 1.00 8.10 C ATOM 2109 C GLU A 140 10.326 -19.671 0.549 1.00 7.13 C ATOM 2110 O GLU A 140 11.140 -19.321 -0.311 1.00 7.54 O ATOM 2111 CB GLU A 140 10.675 -21.978 1.453 1.00 8.42 C ATOM 2112 CG GLU A 140 11.524 -22.868 2.350 1.00 9.47 C ATOM 2113 CD GLU A 140 11.387 -24.339 2.008 1.00 9.95 C ATOM 2114 OE1 GLU A 140 12.126 -24.814 1.121 1.00 10.29 O ATOM 2115 OE2 GLU A 140 10.541 -25.017 2.630 1.00 10.17 O ATOM 0 H GLU A 140 9.223 -20.661 3.126 1.00 7.94 H new ATOM 0 HA GLU A 140 11.852 -20.218 1.925 1.00 8.10 H new ATOM 0 HB2 GLU A 140 9.629 -22.268 1.554 1.00 8.42 H new ATOM 0 HB3 GLU A 140 10.955 -22.153 0.414 1.00 8.42 H new ATOM 0 HG2 GLU A 140 12.570 -22.574 2.262 1.00 9.47 H new ATOM 0 HG3 GLU A 140 11.235 -22.712 3.389 1.00 9.47 H new ATOM 2122 N PHE A 141 9.016 -19.368 0.475 1.00 5.98 N ATOM 2123 CA PHE A 141 8.466 -18.645 -0.673 1.00 5.06 C ATOM 2124 C PHE A 141 8.563 -17.118 -0.586 1.00 4.76 C ATOM 2125 O PHE A 141 9.234 -16.496 -1.414 1.00 5.06 O ATOM 2126 CB PHE A 141 7.032 -19.097 -0.979 1.00 3.97 C ATOM 2127 CG PHE A 141 6.798 -19.183 -2.447 1.00 3.73 C ATOM 2128 CD1 PHE A 141 7.068 -20.355 -3.137 1.00 3.83 C ATOM 2129 CD2 PHE A 141 6.362 -18.074 -3.140 1.00 4.10 C ATOM 2130 CE1 PHE A 141 6.918 -20.411 -4.510 1.00 4.24 C ATOM 2131 CE2 PHE A 141 6.195 -18.124 -4.499 1.00 4.47 C ATOM 2132 CZ PHE A 141 6.482 -19.287 -5.182 1.00 4.52 C ATOM 0 H PHE A 141 8.331 -19.612 1.190 1.00 5.98 H new ATOM 0 HA PHE A 141 9.111 -18.916 -1.509 1.00 5.06 H new ATOM 0 HB2 PHE A 141 6.848 -20.069 -0.521 1.00 3.97 H new ATOM 0 HB3 PHE A 141 6.324 -18.397 -0.535 1.00 3.97 H new ATOM 0 HD1 PHE A 141 7.398 -21.231 -2.598 1.00 3.83 H new ATOM 0 HD2 PHE A 141 6.150 -17.159 -2.608 1.00 4.10 H new ATOM 0 HE1 PHE A 141 7.139 -21.321 -5.049 1.00 4.24 H new ATOM 0 HE2 PHE A 141 5.840 -17.255 -5.034 1.00 4.47 H new ATOM 0 HZ PHE A 141 6.364 -19.319 -6.255 1.00 4.52 H new ATOM 2142 N VAL A 142 7.881 -16.525 0.393 1.00 4.40 N ATOM 2143 CA VAL A 142 7.883 -15.043 0.609 1.00 4.15 C ATOM 2144 C VAL A 142 9.306 -14.552 0.788 1.00 5.25 C ATOM 2145 O VAL A 142 9.670 -13.461 0.347 1.00 5.25 O ATOM 2146 CB VAL A 142 7.066 -14.596 1.851 1.00 4.09 C ATOM 2147 CG1 VAL A 142 6.447 -13.221 1.643 1.00 3.37 C ATOM 2148 CG2 VAL A 142 6.001 -15.607 2.184 1.00 3.96 C ATOM 0 H VAL A 142 7.309 -17.037 1.065 1.00 4.40 H new ATOM 0 HA VAL A 142 7.413 -14.612 -0.275 1.00 4.15 H new ATOM 0 HB VAL A 142 7.757 -14.530 2.692 1.00 4.09 H new ATOM 0 HG11 VAL A 142 5.882 -12.938 2.531 1.00 3.37 H new ATOM 0 HG12 VAL A 142 7.236 -12.490 1.467 1.00 3.37 H new ATOM 0 HG13 VAL A 142 5.779 -13.249 0.782 1.00 3.37 H new ATOM 0 HG21 VAL A 142 5.442 -15.272 3.058 1.00 3.96 H new ATOM 0 HG22 VAL A 142 5.323 -15.713 1.338 1.00 3.96 H new ATOM 0 HG23 VAL A 142 6.467 -16.569 2.398 1.00 3.96 H new ATOM 2158 N GLN A 143 10.088 -15.381 1.468 1.00 6.26 N ATOM 2159 CA GLN A 143 11.517 -15.103 1.688 1.00 7.42 C ATOM 2160 C GLN A 143 12.283 -15.049 0.356 1.00 7.74 C ATOM 2161 O GLN A 143 13.367 -14.469 0.280 1.00 8.48 O ATOM 2162 CB GLN A 143 12.139 -16.141 2.622 1.00 8.47 C ATOM 2163 CG GLN A 143 13.279 -15.601 3.477 1.00 9.24 C ATOM 2164 CD GLN A 143 13.877 -16.658 4.384 1.00 10.23 C ATOM 2165 OE1 GLN A 143 13.437 -16.840 5.519 1.00 10.70 O ATOM 2166 NE2 GLN A 143 14.888 -17.361 3.887 1.00 10.74 N ATOM 0 H GLN A 143 9.763 -16.255 1.881 1.00 6.26 H new ATOM 0 HA GLN A 143 11.594 -14.125 2.163 1.00 7.42 H new ATOM 0 HB2 GLN A 143 11.363 -16.537 3.277 1.00 8.47 H new ATOM 0 HB3 GLN A 143 12.509 -16.975 2.026 1.00 8.47 H new ATOM 0 HG2 GLN A 143 14.058 -15.202 2.828 1.00 9.24 H new ATOM 0 HG3 GLN A 143 12.913 -14.772 4.083 1.00 9.24 H new ATOM 0 HE21 GLN A 143 15.221 -17.177 2.941 1.00 10.74 H new ATOM 0 HE22 GLN A 143 15.332 -18.085 4.452 1.00 10.74 H new ATOM 2175 N MET A 144 11.726 -15.692 -0.678 1.00 7.32 N ATOM 2176 CA MET A 144 12.324 -15.677 -2.010 1.00 7.88 C ATOM 2177 C MET A 144 11.862 -14.471 -2.806 1.00 7.37 C ATOM 2178 O MET A 144 12.301 -14.224 -3.935 1.00 8.01 O ATOM 2179 CB MET A 144 12.041 -16.984 -2.758 1.00 8.04 C ATOM 2180 CG MET A 144 13.267 -17.865 -2.960 1.00 9.33 C ATOM 2181 SD MET A 144 14.452 -17.183 -4.143 1.00 9.76 S ATOM 2182 CE MET A 144 13.573 -17.372 -5.698 1.00 9.64 C ATOM 0 H MET A 144 10.861 -16.229 -0.613 1.00 7.32 H new ATOM 0 HA MET A 144 13.404 -15.595 -1.889 1.00 7.88 H new ATOM 0 HB2 MET A 144 11.288 -17.549 -2.208 1.00 8.04 H new ATOM 0 HB3 MET A 144 11.613 -16.747 -3.732 1.00 8.04 H new ATOM 0 HG2 MET A 144 13.764 -18.009 -2.001 1.00 9.33 H new ATOM 0 HG3 MET A 144 12.946 -18.848 -3.304 1.00 9.33 H new ATOM 0 HE1 MET A 144 14.285 -17.353 -6.523 1.00 9.64 H new ATOM 0 HE2 MET A 144 13.039 -18.322 -5.701 1.00 9.64 H new ATOM 0 HE3 MET A 144 12.861 -16.555 -5.815 1.00 9.64 H new ATOM 2192 N MET A 145 10.977 -13.739 -2.173 1.00 6.37 N ATOM 2193 CA MET A 145 10.425 -12.497 -2.708 1.00 5.88 C ATOM 2194 C MET A 145 11.254 -11.331 -2.198 1.00 6.25 C ATOM 2195 O MET A 145 11.279 -10.252 -2.797 1.00 6.33 O ATOM 2196 CB MET A 145 8.965 -12.316 -2.294 1.00 4.66 C ATOM 2197 CG MET A 145 8.007 -13.294 -2.961 1.00 3.68 C ATOM 2198 SD MET A 145 6.574 -13.715 -1.942 1.00 3.52 S ATOM 2199 CE MET A 145 5.886 -12.102 -1.576 1.00 3.45 C ATOM 0 H MET A 145 10.608 -13.986 -1.255 1.00 6.37 H new ATOM 0 HA MET A 145 10.460 -12.537 -3.797 1.00 5.88 H new ATOM 0 HB2 MET A 145 8.888 -12.428 -1.213 1.00 4.66 H new ATOM 0 HB3 MET A 145 8.654 -11.299 -2.532 1.00 4.66 H new ATOM 0 HG2 MET A 145 7.660 -12.865 -3.901 1.00 3.68 H new ATOM 0 HG3 MET A 145 8.548 -14.208 -3.208 1.00 3.68 H new ATOM 0 HE1 MET A 145 4.807 -12.187 -1.450 1.00 3.45 H new ATOM 0 HE2 MET A 145 6.330 -11.717 -0.658 1.00 3.45 H new ATOM 0 HE3 MET A 145 6.103 -11.419 -2.398 1.00 3.45 H new ATOM 2209 N THR A 146 11.932 -11.582 -1.072 1.00 6.65 N ATOM 2210 CA THR A 146 12.816 -10.606 -0.451 1.00 7.20 C ATOM 2211 C THR A 146 14.223 -10.733 -1.059 1.00 8.45 C ATOM 2212 O THR A 146 15.005 -9.778 -1.033 1.00 8.99 O ATOM 2213 CB THR A 146 12.849 -10.740 1.104 1.00 7.31 C ATOM 2214 OG1 THR A 146 13.395 -9.548 1.679 1.00 6.44 O ATOM 2215 CG2 THR A 146 13.660 -11.940 1.591 1.00 7.72 C ATOM 0 H THR A 146 11.879 -12.469 -0.571 1.00 6.65 H new ATOM 0 HA THR A 146 12.425 -9.610 -0.658 1.00 7.20 H new ATOM 0 HB THR A 146 11.818 -10.894 1.423 1.00 7.31 H new ATOM 0 HG1 THR A 146 13.413 -9.634 2.655 1.00 6.44 H new ATOM 0 HG21 THR A 146 13.642 -11.974 2.680 1.00 7.72 H new ATOM 0 HG22 THR A 146 13.227 -12.858 1.192 1.00 7.72 H new ATOM 0 HG23 THR A 146 14.690 -11.846 1.248 1.00 7.72 H new ATOM 2223 N ALA A 147 14.527 -11.936 -1.606 1.00 8.92 N ATOM 2224 CA ALA A 147 15.812 -12.192 -2.258 1.00 10.15 C ATOM 2225 C ALA A 147 15.776 -11.741 -3.722 1.00 10.43 C ATOM 2226 O ALA A 147 16.778 -11.255 -4.254 1.00 11.37 O ATOM 2227 CB ALA A 147 16.167 -13.669 -2.165 1.00 10.68 C ATOM 0 H ALA A 147 13.894 -12.735 -1.603 1.00 8.92 H new ATOM 0 HA ALA A 147 16.580 -11.616 -1.742 1.00 10.15 H new ATOM 0 HB1 ALA A 147 17.125 -13.844 -2.654 1.00 10.68 H new ATOM 0 HB2 ALA A 147 16.236 -13.961 -1.117 1.00 10.68 H new ATOM 0 HB3 ALA A 147 15.395 -14.260 -2.657 1.00 10.68 H new ATOM 2233 N LYS A 148 14.603 -11.911 -4.363 1.00 9.72 N ATOM 2234 CA LYS A 148 14.395 -11.521 -5.756 1.00 10.13 C ATOM 2235 C LYS A 148 12.947 -11.087 -5.982 1.00 9.70 C ATOM 2236 O LYS A 148 12.038 -11.927 -5.800 1.00 9.60 O ATOM 2237 CB LYS A 148 14.774 -12.635 -6.766 1.00 10.60 C ATOM 2238 CG LYS A 148 14.615 -14.071 -6.257 1.00 11.38 C ATOM 2239 CD LYS A 148 15.887 -14.569 -5.576 1.00 11.36 C ATOM 2240 CE LYS A 148 16.799 -15.316 -6.543 1.00 12.34 C ATOM 2241 NZ LYS A 148 18.033 -15.812 -5.873 1.00 12.59 N ATOM 2242 OXT LYS A 148 12.734 -9.910 -6.340 1.00 9.69 O ATOM 0 H LYS A 148 13.780 -12.322 -3.924 1.00 9.72 H new ATOM 0 HA LYS A 148 15.066 -10.682 -5.940 1.00 10.13 H new ATOM 0 HB2 LYS A 148 14.161 -12.515 -7.659 1.00 10.60 H new ATOM 0 HB3 LYS A 148 15.811 -12.489 -7.069 1.00 10.60 H new ATOM 0 HG2 LYS A 148 13.783 -14.119 -5.555 1.00 11.38 H new ATOM 0 HG3 LYS A 148 14.367 -14.728 -7.091 1.00 11.38 H new ATOM 0 HD2 LYS A 148 16.426 -13.722 -5.151 1.00 11.36 H new ATOM 0 HD3 LYS A 148 15.621 -15.226 -4.748 1.00 11.36 H new ATOM 0 HE2 LYS A 148 16.258 -16.157 -6.976 1.00 12.34 H new ATOM 0 HE3 LYS A 148 17.073 -14.656 -7.366 1.00 12.34 H new ATOM 0 HZ1 LYS A 148 18.626 -16.314 -6.565 1.00 12.59 H new ATOM 0 HZ2 LYS A 148 18.563 -15.007 -5.482 1.00 12.59 H new ATOM 0 HZ3 LYS A 148 17.773 -16.462 -5.104 1.00 12.59 H new TER 2256 LYS A 148