USER MOD reduce.3.24.130724 H: found=0, std=0, add=621, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 513 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 NoAdj-H: A 75 ALA H : A 75 ALA N : A 73 TYR O :(H bumps) USER MOD Set 1.1: A 60 CYS SG : rot -0:sc= -28.4! USER MOD Set 1.2: A 65 CYS SG : rot -32:sc= -29.8! USER MOD Set 2.1: A 53 GLN : amide:sc= 0.166 K(o=0.67,f=-2.2!) USER MOD Set 2.2: A 73 TYR OH : rot 82:sc= 0.5 USER MOD Set 3.1: A 39 ASN : amide:sc= -6.57! C(o=-7.7!,f=-20!) USER MOD Set 3.2: A 52 CYS SG : rot 29:sc= -1.15! USER MOD Set 4.1: A 37 TYR OH : rot -123:sc= 0.675 USER MOD Set 4.2: A 42 THR OG1 : rot -56:sc= 2.02 USER MOD Single : A 1 MET CE :methyl 167:sc= -0.0193 (180deg=-0.203) USER MOD Single : A 1 MET N :NH3+ -176:sc= -0.192 (180deg=-0.361) USER MOD Single : A 5 MET CE :methyl -161:sc= -0.0188 (180deg=-0.338) USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 13 ASN : amide:sc= 0.36 K(o=0.36,f=-4.5!) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 GLN :FLIP amide:sc= -5.46! C(o=-6.5!,f=-5.5!) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 47 SER OG : rot 180:sc=-0.000917 USER MOD Single : A 48 SER OG : rot 180:sc= -0.035 USER MOD Single : A 54 THR OG1 : rot -7:sc= -1.69! USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 72 MET CE :methyl -173:sc= -0.689 (180deg=-0.707) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 LYS NZ :NH3+ -165:sc= 0 (180deg=-0.0783) USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -4.997 10.017 -9.223 1.00 0.00 N ATOM 2 CA MET A 1 -5.951 11.104 -9.353 1.00 0.00 C ATOM 3 C MET A 1 -5.709 11.897 -10.639 1.00 0.00 C ATOM 4 O MET A 1 -6.565 12.669 -11.068 1.00 0.00 O ATOM 5 CB MET A 1 -5.829 12.039 -8.147 1.00 0.00 C ATOM 6 CG MET A 1 -6.960 13.069 -8.135 1.00 0.00 C ATOM 7 SD MET A 1 -7.668 13.180 -6.500 1.00 0.00 S ATOM 8 CE MET A 1 -9.351 13.601 -6.918 1.00 0.00 C ATOM 0 H1 MET A 1 -5.225 9.454 -8.379 1.00 0.00 H new ATOM 0 H2 MET A 1 -5.045 9.410 -10.066 1.00 0.00 H new ATOM 0 H3 MET A 1 -4.037 10.407 -9.131 1.00 0.00 H new ATOM 0 HA MET A 1 -6.953 10.678 -9.394 1.00 0.00 H new ATOM 0 HB2 MET A 1 -5.854 11.456 -7.226 1.00 0.00 H new ATOM 0 HB3 MET A 1 -4.867 12.550 -8.175 1.00 0.00 H new ATOM 0 HG2 MET A 1 -6.579 14.043 -8.442 1.00 0.00 H new ATOM 0 HG3 MET A 1 -7.728 12.786 -8.854 1.00 0.00 H new ATOM 0 HE1 MET A 1 -9.984 13.484 -6.039 1.00 0.00 H new ATOM 0 HE2 MET A 1 -9.393 14.635 -7.260 1.00 0.00 H new ATOM 0 HE3 MET A 1 -9.705 12.942 -7.711 1.00 0.00 H new ATOM 16 N PHE A 2 -4.538 11.677 -11.218 1.00 0.00 N ATOM 17 CA PHE A 2 -4.171 12.361 -12.448 1.00 0.00 C ATOM 18 C PHE A 2 -4.211 13.879 -12.263 1.00 0.00 C ATOM 19 O PHE A 2 -4.573 14.369 -11.194 1.00 0.00 O ATOM 20 CB PHE A 2 -5.201 11.960 -13.506 1.00 0.00 C ATOM 21 CG PHE A 2 -4.629 11.104 -14.638 1.00 0.00 C ATOM 22 CD1 PHE A 2 -3.868 10.015 -14.350 1.00 0.00 C ATOM 23 CD2 PHE A 2 -4.881 11.433 -15.934 1.00 0.00 C ATOM 24 CE1 PHE A 2 -3.337 9.220 -15.399 1.00 0.00 C ATOM 25 CE2 PHE A 2 -4.350 10.638 -16.984 1.00 0.00 C ATOM 26 CZ PHE A 2 -3.589 9.550 -16.695 1.00 0.00 C ATOM 0 H PHE A 2 -3.831 11.035 -10.859 1.00 0.00 H new ATOM 0 HA PHE A 2 -3.158 12.084 -12.741 1.00 0.00 H new ATOM 0 HB2 PHE A 2 -6.009 11.411 -13.022 1.00 0.00 H new ATOM 0 HB3 PHE A 2 -5.639 12.862 -13.932 1.00 0.00 H new ATOM 0 HD1 PHE A 2 -3.667 9.754 -13.321 1.00 0.00 H new ATOM 0 HD2 PHE A 2 -5.485 12.298 -16.164 1.00 0.00 H new ATOM 0 HE1 PHE A 2 -2.734 8.354 -15.169 1.00 0.00 H new ATOM 0 HE2 PHE A 2 -4.551 10.898 -18.013 1.00 0.00 H new ATOM 0 HZ PHE A 2 -3.184 8.947 -17.494 1.00 0.00 H new ATOM 35 N PRO A 3 -3.824 14.600 -13.349 1.00 0.00 N ATOM 36 CA PRO A 3 -3.811 16.053 -13.318 1.00 0.00 C ATOM 37 C PRO A 3 -5.232 16.615 -13.408 1.00 0.00 C ATOM 38 O PRO A 3 -5.626 17.448 -12.594 1.00 0.00 O ATOM 39 CB PRO A 3 -2.934 16.464 -14.489 1.00 0.00 C ATOM 40 CG PRO A 3 -2.867 15.253 -15.405 1.00 0.00 C ATOM 41 CD PRO A 3 -3.388 14.054 -14.632 1.00 0.00 C ATOM 0 HA PRO A 3 -3.415 16.451 -12.383 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -3.355 17.324 -15.009 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -1.939 16.752 -14.150 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -3.465 15.419 -16.301 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -1.842 15.079 -15.734 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -4.212 13.572 -15.158 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -2.611 13.301 -14.498 1.00 0.00 H new ATOM 46 N ALA A 4 -5.961 16.137 -14.405 1.00 0.00 N ATOM 47 CA ALA A 4 -7.329 16.581 -14.612 1.00 0.00 C ATOM 48 C ALA A 4 -7.857 17.209 -13.322 1.00 0.00 C ATOM 49 O ALA A 4 -8.164 18.400 -13.286 1.00 0.00 O ATOM 50 CB ALA A 4 -8.184 15.401 -15.079 1.00 0.00 C ATOM 0 H ALA A 4 -5.630 15.446 -15.079 1.00 0.00 H new ATOM 0 HA ALA A 4 -7.372 17.342 -15.391 1.00 0.00 H new ATOM 0 HB1 ALA A 4 -9.210 15.734 -15.234 1.00 0.00 H new ATOM 0 HB2 ALA A 4 -7.784 15.010 -16.014 1.00 0.00 H new ATOM 0 HB3 ALA A 4 -8.168 14.617 -14.321 1.00 0.00 H new ATOM 56 N MET A 5 -7.948 16.381 -12.292 1.00 0.00 N ATOM 57 CA MET A 5 -8.434 16.839 -11.002 1.00 0.00 C ATOM 58 C MET A 5 -7.272 17.189 -10.070 1.00 0.00 C ATOM 59 O MET A 5 -6.144 16.747 -10.285 1.00 0.00 O ATOM 60 CB MET A 5 -9.291 15.746 -10.361 1.00 0.00 C ATOM 61 CG MET A 5 -10.781 16.012 -10.592 1.00 0.00 C ATOM 62 SD MET A 5 -11.676 15.849 -9.056 1.00 0.00 S ATOM 63 CE MET A 5 -12.435 17.462 -8.968 1.00 0.00 C ATOM 0 H MET A 5 -7.693 15.394 -12.325 1.00 0.00 H new ATOM 0 HA MET A 5 -9.032 17.737 -11.159 1.00 0.00 H new ATOM 0 HB2 MET A 5 -9.022 14.776 -10.779 1.00 0.00 H new ATOM 0 HB3 MET A 5 -9.088 15.700 -9.291 1.00 0.00 H new ATOM 0 HG2 MET A 5 -10.921 17.013 -11.000 1.00 0.00 H new ATOM 0 HG3 MET A 5 -11.174 15.310 -11.328 1.00 0.00 H new ATOM 0 HE1 MET A 5 -12.746 17.662 -7.943 1.00 0.00 H new ATOM 0 HE2 MET A 5 -11.718 18.219 -9.284 1.00 0.00 H new ATOM 0 HE3 MET A 5 -13.306 17.491 -9.623 1.00 0.00 H new ATOM 71 N PRO A 6 -7.595 18.001 -9.027 1.00 0.00 N ATOM 72 CA PRO A 6 -6.590 18.414 -8.062 1.00 0.00 C ATOM 73 C PRO A 6 -6.242 17.269 -7.109 1.00 0.00 C ATOM 74 O PRO A 6 -6.756 16.162 -7.249 1.00 0.00 O ATOM 75 CB PRO A 6 -7.197 19.614 -7.354 1.00 0.00 C ATOM 76 CG PRO A 6 -8.693 19.543 -7.619 1.00 0.00 C ATOM 77 CD PRO A 6 -8.920 18.543 -8.741 1.00 0.00 C ATOM 0 HA PRO A 6 -5.642 18.681 -8.528 1.00 0.00 H new ATOM 0 HB2 PRO A 6 -6.988 19.583 -6.285 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -6.777 20.545 -7.734 1.00 0.00 H new ATOM 0 HG2 PRO A 6 -9.226 19.235 -6.719 1.00 0.00 H new ATOM 0 HG3 PRO A 6 -9.078 20.524 -7.898 1.00 0.00 H new ATOM 0 HD2 PRO A 6 -9.612 17.758 -8.438 1.00 0.00 H new ATOM 0 HD3 PRO A 6 -9.349 19.024 -9.620 1.00 0.00 H new ATOM 82 N LEU A 7 -5.370 17.578 -6.160 1.00 0.00 N ATOM 83 CA LEU A 7 -4.947 16.589 -5.184 1.00 0.00 C ATOM 84 C LEU A 7 -5.184 17.135 -3.775 1.00 0.00 C ATOM 85 O LEU A 7 -4.236 17.486 -3.073 1.00 0.00 O ATOM 86 CB LEU A 7 -3.500 16.164 -5.443 1.00 0.00 C ATOM 87 CG LEU A 7 -3.308 14.987 -6.401 1.00 0.00 C ATOM 88 CD1 LEU A 7 -4.011 13.734 -5.878 1.00 0.00 C ATOM 89 CD2 LEU A 7 -3.762 15.353 -7.816 1.00 0.00 C ATOM 0 H LEU A 7 -4.946 18.499 -6.047 1.00 0.00 H new ATOM 0 HA LEU A 7 -5.543 15.682 -5.279 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -2.956 17.021 -5.839 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -3.041 15.908 -4.488 1.00 0.00 H new ATOM 0 HG LEU A 7 -2.243 14.759 -6.454 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -3.859 12.912 -6.578 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -3.598 13.464 -4.906 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -5.078 13.931 -5.777 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -3.615 14.499 -8.478 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -4.818 15.623 -7.801 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -3.177 16.198 -8.179 1.00 0.00 H new ATOM 100 N SER A 8 -6.454 17.191 -3.401 1.00 0.00 N ATOM 101 CA SER A 8 -6.827 17.690 -2.089 1.00 0.00 C ATOM 102 C SER A 8 -8.254 17.252 -1.749 1.00 0.00 C ATOM 103 O SER A 8 -9.106 18.085 -1.444 1.00 0.00 O ATOM 104 CB SER A 8 -6.711 19.214 -2.024 1.00 0.00 C ATOM 105 OG SER A 8 -7.102 19.832 -3.247 1.00 0.00 O ATOM 0 H SER A 8 -7.238 16.899 -3.985 1.00 0.00 H new ATOM 0 HA SER A 8 -6.139 17.269 -1.356 1.00 0.00 H new ATOM 0 HB2 SER A 8 -7.333 19.591 -1.212 1.00 0.00 H new ATOM 0 HB3 SER A 8 -5.682 19.490 -1.791 1.00 0.00 H new ATOM 0 HG SER A 8 -7.015 20.805 -3.164 1.00 0.00 H new ATOM 110 N SER A 9 -8.470 15.947 -1.814 1.00 0.00 N ATOM 111 CA SER A 9 -9.778 15.388 -1.518 1.00 0.00 C ATOM 112 C SER A 9 -9.633 13.948 -1.023 1.00 0.00 C ATOM 113 O SER A 9 -9.801 13.004 -1.794 1.00 0.00 O ATOM 114 CB SER A 9 -10.690 15.440 -2.745 1.00 0.00 C ATOM 115 OG SER A 9 -11.942 16.054 -2.455 1.00 0.00 O ATOM 0 H SER A 9 -7.760 15.260 -2.068 1.00 0.00 H new ATOM 0 HA SER A 9 -10.237 15.989 -0.733 1.00 0.00 H new ATOM 0 HB2 SER A 9 -10.192 15.991 -3.543 1.00 0.00 H new ATOM 0 HB3 SER A 9 -10.859 14.428 -3.114 1.00 0.00 H new ATOM 0 HG SER A 9 -12.494 16.069 -3.264 1.00 0.00 H new ATOM 120 N LEU A 10 -9.322 13.824 0.259 1.00 0.00 N ATOM 121 CA LEU A 10 -9.152 12.514 0.865 1.00 0.00 C ATOM 122 C LEU A 10 -7.708 12.050 0.668 1.00 0.00 C ATOM 123 O LEU A 10 -7.410 10.864 0.802 1.00 0.00 O ATOM 124 CB LEU A 10 -10.192 11.534 0.321 1.00 0.00 C ATOM 125 CG LEU A 10 -10.816 10.582 1.345 1.00 0.00 C ATOM 126 CD1 LEU A 10 -12.342 10.682 1.328 1.00 0.00 C ATOM 127 CD2 LEU A 10 -10.333 9.147 1.124 1.00 0.00 C ATOM 0 H LEU A 10 -9.183 14.609 0.895 1.00 0.00 H new ATOM 0 HA LEU A 10 -9.327 12.565 1.940 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -10.992 12.107 -0.148 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -9.725 10.938 -0.463 1.00 0.00 H new ATOM 0 HG LEU A 10 -10.485 10.884 2.339 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -12.760 9.996 2.064 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -12.643 11.701 1.570 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -12.713 10.420 0.337 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -10.791 8.491 1.864 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -10.615 8.818 0.124 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -9.249 9.108 1.226 1.00 0.00 H new ATOM 138 N PHE A 11 -6.849 13.009 0.353 1.00 0.00 N ATOM 139 CA PHE A 11 -5.443 12.713 0.137 1.00 0.00 C ATOM 140 C PHE A 11 -4.609 13.996 0.116 1.00 0.00 C ATOM 141 O PHE A 11 -3.567 14.052 -0.534 1.00 0.00 O ATOM 142 CB PHE A 11 -5.335 12.026 -1.226 1.00 0.00 C ATOM 143 CG PHE A 11 -3.942 11.477 -1.539 1.00 0.00 C ATOM 144 CD1 PHE A 11 -3.590 10.234 -1.113 1.00 0.00 C ATOM 145 CD2 PHE A 11 -3.055 12.232 -2.240 1.00 0.00 C ATOM 146 CE1 PHE A 11 -2.296 9.724 -1.402 1.00 0.00 C ATOM 147 CE2 PHE A 11 -1.761 11.723 -2.530 1.00 0.00 C ATOM 148 CZ PHE A 11 -1.409 10.480 -2.105 1.00 0.00 C ATOM 0 H PHE A 11 -7.100 13.991 0.242 1.00 0.00 H new ATOM 0 HA PHE A 11 -5.068 12.081 0.942 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -6.054 11.208 -1.267 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -5.617 12.737 -2.003 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -4.294 9.635 -0.555 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -3.334 13.219 -2.577 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -2.016 8.737 -1.064 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -1.057 12.323 -3.088 1.00 0.00 H new ATOM 0 HZ PHE A 11 -0.425 10.093 -2.325 1.00 0.00 H new ATOM 157 N VAL A 12 -5.099 14.993 0.837 1.00 0.00 N ATOM 158 CA VAL A 12 -4.413 16.271 0.910 1.00 0.00 C ATOM 159 C VAL A 12 -3.019 16.064 1.508 1.00 0.00 C ATOM 160 O VAL A 12 -2.841 16.156 2.722 1.00 0.00 O ATOM 161 CB VAL A 12 -5.258 17.275 1.697 1.00 0.00 C ATOM 162 CG1 VAL A 12 -5.221 16.968 3.195 1.00 0.00 C ATOM 163 CG2 VAL A 12 -4.803 18.710 1.420 1.00 0.00 C ATOM 0 H VAL A 12 -5.963 14.942 1.376 1.00 0.00 H new ATOM 0 HA VAL A 12 -4.280 16.690 -0.087 1.00 0.00 H new ATOM 0 HB VAL A 12 -6.291 17.180 1.361 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -5.830 17.696 3.731 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -5.614 15.967 3.371 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -4.193 17.022 3.552 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -5.420 19.404 1.991 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -3.760 18.824 1.715 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -4.905 18.925 0.356 1.00 0.00 H new ATOM 173 N ASN A 13 -2.068 15.787 0.629 1.00 0.00 N ATOM 174 CA ASN A 13 -0.696 15.566 1.054 1.00 0.00 C ATOM 175 C ASN A 13 -0.213 16.779 1.852 1.00 0.00 C ATOM 176 O ASN A 13 0.759 16.686 2.600 1.00 0.00 O ATOM 177 CB ASN A 13 0.232 15.390 -0.149 1.00 0.00 C ATOM 178 CG ASN A 13 -0.056 16.441 -1.222 1.00 0.00 C ATOM 179 OD1 ASN A 13 -1.158 16.558 -1.734 1.00 0.00 O ATOM 180 ND2 ASN A 13 0.992 17.198 -1.534 1.00 0.00 N ATOM 0 H ASN A 13 -2.220 15.710 -0.377 1.00 0.00 H new ATOM 0 HA ASN A 13 -0.672 14.661 1.662 1.00 0.00 H new ATOM 0 HB2 ASN A 13 1.270 15.469 0.173 1.00 0.00 H new ATOM 0 HB3 ASN A 13 0.104 14.392 -0.569 1.00 0.00 H new ATOM 0 HD21 ASN A 13 0.901 17.929 -2.240 1.00 0.00 H new ATOM 0 HD22 ASN A 13 1.887 17.048 -1.068 1.00 0.00 H new ATOM 186 N GLY A 14 -0.913 17.887 1.666 1.00 0.00 N ATOM 187 CA GLY A 14 -0.567 19.117 2.358 1.00 0.00 C ATOM 188 C GLY A 14 -0.564 18.910 3.874 1.00 0.00 C ATOM 189 O GLY A 14 0.398 18.385 4.431 1.00 0.00 O ATOM 0 H GLY A 14 -1.719 17.959 1.045 1.00 0.00 H new ATOM 0 HA2 GLY A 14 0.416 19.458 2.032 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -1.279 19.899 2.095 1.00 0.00 H new ATOM 193 N PRO A 15 -1.683 19.343 4.516 1.00 0.00 N ATOM 194 CA PRO A 15 -1.819 19.210 5.956 1.00 0.00 C ATOM 195 C PRO A 15 -2.114 17.762 6.348 1.00 0.00 C ATOM 196 O PRO A 15 -2.782 17.039 5.609 1.00 0.00 O ATOM 197 CB PRO A 15 -2.937 20.168 6.336 1.00 0.00 C ATOM 198 CG PRO A 15 -3.696 20.455 5.050 1.00 0.00 C ATOM 199 CD PRO A 15 -2.843 19.969 3.888 1.00 0.00 C ATOM 0 HA PRO A 15 -0.901 19.458 6.489 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -3.593 19.725 7.086 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -2.536 21.086 6.766 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -4.661 19.947 5.054 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -3.898 21.522 4.956 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -3.388 19.259 3.266 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -2.546 20.795 3.242 1.00 0.00 H new ATOM 204 N ARG A 16 -1.604 17.380 7.509 1.00 0.00 N ATOM 205 CA ARG A 16 -1.805 16.031 8.008 1.00 0.00 C ATOM 206 C ARG A 16 -2.958 16.003 9.013 1.00 0.00 C ATOM 207 O ARG A 16 -2.956 15.198 9.944 1.00 0.00 O ATOM 208 CB ARG A 16 -0.538 15.498 8.681 1.00 0.00 C ATOM 209 CG ARG A 16 0.407 14.872 7.654 1.00 0.00 C ATOM 210 CD ARG A 16 1.763 15.578 7.655 1.00 0.00 C ATOM 211 NE ARG A 16 1.741 16.721 6.715 1.00 0.00 N ATOM 212 CZ ARG A 16 2.556 17.781 6.799 1.00 0.00 C ATOM 213 NH1 ARG A 16 3.464 17.849 7.782 1.00 0.00 N ATOM 214 NH2 ARG A 16 2.464 18.771 5.902 1.00 0.00 N ATOM 0 H ARG A 16 -1.051 17.982 8.119 1.00 0.00 H new ATOM 0 HA ARG A 16 -2.045 15.395 7.156 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -0.029 16.310 9.201 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -0.806 14.756 9.433 1.00 0.00 H new ATOM 0 HG2 ARG A 16 0.544 13.814 7.878 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -0.038 14.933 6.661 1.00 0.00 H new ATOM 0 HD2 ARG A 16 1.999 15.928 8.660 1.00 0.00 H new ATOM 0 HD3 ARG A 16 2.547 14.877 7.369 1.00 0.00 H new ATOM 0 HE ARG A 16 1.062 16.700 5.954 1.00 0.00 H new ATOM 0 HH11 ARG A 16 3.534 17.094 8.465 1.00 0.00 H new ATOM 0 HH12 ARG A 16 4.085 18.655 7.847 1.00 0.00 H new ATOM 0 HH21 ARG A 16 1.773 18.719 5.154 1.00 0.00 H new ATOM 0 HH22 ARG A 16 3.085 19.577 5.967 1.00 0.00 H new ATOM 225 N THR A 17 -3.917 16.890 8.790 1.00 0.00 N ATOM 226 CA THR A 17 -5.074 16.978 9.665 1.00 0.00 C ATOM 227 C THR A 17 -6.272 16.263 9.036 1.00 0.00 C ATOM 228 O THR A 17 -7.044 15.607 9.734 1.00 0.00 O ATOM 229 CB THR A 17 -5.334 18.456 9.958 1.00 0.00 C ATOM 230 OG1 THR A 17 -6.443 18.442 10.855 1.00 0.00 O ATOM 231 CG2 THR A 17 -5.856 19.213 8.734 1.00 0.00 C ATOM 0 H THR A 17 -3.916 17.554 8.016 1.00 0.00 H new ATOM 0 HA THR A 17 -4.893 16.471 10.613 1.00 0.00 H new ATOM 0 HB THR A 17 -4.414 18.923 10.309 1.00 0.00 H new ATOM 0 HG1 THR A 17 -6.678 19.362 11.099 1.00 0.00 H new ATOM 0 HG21 THR A 17 -6.024 20.257 8.997 1.00 0.00 H new ATOM 0 HG22 THR A 17 -5.122 19.154 7.930 1.00 0.00 H new ATOM 0 HG23 THR A 17 -6.794 18.767 8.403 1.00 0.00 H new ATOM 239 N LEU A 18 -6.389 16.412 7.725 1.00 0.00 N ATOM 240 CA LEU A 18 -7.479 15.788 6.996 1.00 0.00 C ATOM 241 C LEU A 18 -7.421 14.272 7.196 1.00 0.00 C ATOM 242 O LEU A 18 -7.635 13.781 8.304 1.00 0.00 O ATOM 243 CB LEU A 18 -7.454 16.215 5.526 1.00 0.00 C ATOM 244 CG LEU A 18 -7.891 17.653 5.238 1.00 0.00 C ATOM 245 CD1 LEU A 18 -9.207 17.978 5.945 1.00 0.00 C ATOM 246 CD2 LEU A 18 -6.784 18.645 5.601 1.00 0.00 C ATOM 0 H LEU A 18 -5.747 16.956 7.149 1.00 0.00 H new ATOM 0 HA LEU A 18 -8.439 16.125 7.387 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -6.441 16.081 5.146 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -8.098 15.541 4.961 1.00 0.00 H new ATOM 0 HG LEU A 18 -8.070 17.748 4.167 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -9.495 19.006 5.724 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -9.985 17.300 5.595 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -9.081 17.860 7.021 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -7.120 19.660 5.387 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -6.550 18.557 6.662 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -5.892 18.426 5.013 1.00 0.00 H new ATOM 257 N CYS A 19 -7.131 13.574 6.109 1.00 0.00 N ATOM 258 CA CYS A 19 -7.042 12.124 6.152 1.00 0.00 C ATOM 259 C CYS A 19 -5.602 11.742 6.503 1.00 0.00 C ATOM 260 O CYS A 19 -5.177 10.615 6.254 1.00 0.00 O ATOM 261 CB CYS A 19 -7.495 11.490 4.835 1.00 0.00 C ATOM 262 SG CYS A 19 -8.858 10.279 4.995 1.00 0.00 S ATOM 0 H CYS A 19 -6.954 13.985 5.192 1.00 0.00 H new ATOM 0 HA CYS A 19 -7.717 11.738 6.916 1.00 0.00 H new ATOM 0 HB2 CYS A 19 -7.810 12.282 4.156 1.00 0.00 H new ATOM 0 HB3 CYS A 19 -6.640 10.995 4.373 1.00 0.00 H new ATOM 266 N GLY A 20 -4.893 12.702 7.078 1.00 0.00 N ATOM 267 CA GLY A 20 -3.511 12.478 7.466 1.00 0.00 C ATOM 268 C GLY A 20 -2.664 12.053 6.265 1.00 0.00 C ATOM 269 O GLY A 20 -3.083 11.208 5.475 1.00 0.00 O ATOM 0 H GLY A 20 -5.249 13.635 7.284 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -3.100 13.389 7.901 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -3.467 11.709 8.237 1.00 0.00 H new ATOM 273 N ALA A 21 -1.490 12.657 6.164 1.00 0.00 N ATOM 274 CA ALA A 21 -0.582 12.351 5.072 1.00 0.00 C ATOM 275 C ALA A 21 0.365 11.228 5.501 1.00 0.00 C ATOM 276 O ALA A 21 1.114 10.697 4.684 1.00 0.00 O ATOM 277 CB ALA A 21 0.167 13.620 4.660 1.00 0.00 C ATOM 0 H ALA A 21 -1.146 13.357 6.821 1.00 0.00 H new ATOM 0 HA ALA A 21 -1.135 12.001 4.200 1.00 0.00 H new ATOM 0 HB1 ALA A 21 0.848 13.391 3.841 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -0.548 14.376 4.336 1.00 0.00 H new ATOM 0 HB3 ALA A 21 0.736 13.999 5.509 1.00 0.00 H new ATOM 283 N GLU A 22 0.301 10.901 6.784 1.00 0.00 N ATOM 284 CA GLU A 22 1.142 9.851 7.331 1.00 0.00 C ATOM 285 C GLU A 22 1.139 8.632 6.407 1.00 0.00 C ATOM 286 O GLU A 22 2.160 8.301 5.806 1.00 0.00 O ATOM 287 CB GLU A 22 0.695 9.470 8.744 1.00 0.00 C ATOM 288 CG GLU A 22 1.900 9.175 9.640 1.00 0.00 C ATOM 289 CD GLU A 22 1.505 9.209 11.118 1.00 0.00 C ATOM 290 OE1 GLU A 22 0.704 8.334 11.511 1.00 0.00 O ATOM 291 OE2 GLU A 22 2.013 10.109 11.821 1.00 0.00 O ATOM 0 H GLU A 22 -0.321 11.345 7.460 1.00 0.00 H new ATOM 0 HA GLU A 22 2.162 10.228 7.398 1.00 0.00 H new ATOM 0 HB2 GLU A 22 0.107 10.281 9.174 1.00 0.00 H new ATOM 0 HB3 GLU A 22 0.047 8.595 8.701 1.00 0.00 H new ATOM 0 HG2 GLU A 22 2.311 8.196 9.392 1.00 0.00 H new ATOM 0 HG3 GLU A 22 2.685 9.907 9.453 1.00 0.00 H new ATOM 296 N LEU A 23 -0.021 7.996 6.324 1.00 0.00 N ATOM 297 CA LEU A 23 -0.171 6.819 5.484 1.00 0.00 C ATOM 298 C LEU A 23 0.859 6.872 4.354 1.00 0.00 C ATOM 299 O LEU A 23 1.411 5.844 3.963 1.00 0.00 O ATOM 300 CB LEU A 23 -1.614 6.691 4.994 1.00 0.00 C ATOM 301 CG LEU A 23 -2.463 7.962 5.068 1.00 0.00 C ATOM 302 CD1 LEU A 23 -2.923 8.231 6.502 1.00 0.00 C ATOM 303 CD2 LEU A 23 -1.715 9.157 4.473 1.00 0.00 C ATOM 0 H LEU A 23 -0.865 8.273 6.824 1.00 0.00 H new ATOM 0 HA LEU A 23 0.028 5.913 6.057 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -1.596 6.349 3.959 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -2.107 5.914 5.578 1.00 0.00 H new ATOM 0 HG LEU A 23 -3.358 7.810 4.465 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -3.524 9.140 6.527 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -3.520 7.391 6.856 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -2.052 8.354 7.146 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -2.341 10.047 4.538 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -0.791 9.321 5.028 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -1.479 8.955 3.428 1.00 0.00 H new ATOM 314 N VAL A 24 1.088 8.079 3.858 1.00 0.00 N ATOM 315 CA VAL A 24 2.042 8.278 2.781 1.00 0.00 C ATOM 316 C VAL A 24 3.442 8.462 3.371 1.00 0.00 C ATOM 317 O VAL A 24 4.364 7.720 3.036 1.00 0.00 O ATOM 318 CB VAL A 24 1.605 9.454 1.905 1.00 0.00 C ATOM 319 CG1 VAL A 24 2.552 9.635 0.717 1.00 0.00 C ATOM 320 CG2 VAL A 24 0.160 9.277 1.432 1.00 0.00 C ATOM 0 H VAL A 24 0.629 8.930 4.183 1.00 0.00 H new ATOM 0 HA VAL A 24 2.074 7.401 2.134 1.00 0.00 H new ATOM 0 HB VAL A 24 1.652 10.359 2.511 1.00 0.00 H new ATOM 0 HG11 VAL A 24 2.218 10.477 0.111 1.00 0.00 H new ATOM 0 HG12 VAL A 24 3.561 9.828 1.082 1.00 0.00 H new ATOM 0 HG13 VAL A 24 2.552 8.729 0.111 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -0.126 10.126 0.811 1.00 0.00 H new ATOM 0 HG22 VAL A 24 0.077 8.358 0.851 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -0.501 9.220 2.296 1.00 0.00 H new ATOM 330 N ASP A 25 3.556 9.455 4.241 1.00 0.00 N ATOM 331 CA ASP A 25 4.828 9.746 4.882 1.00 0.00 C ATOM 332 C ASP A 25 5.265 8.536 5.711 1.00 0.00 C ATOM 333 O ASP A 25 6.457 8.326 5.927 1.00 0.00 O ATOM 334 CB ASP A 25 4.708 10.946 5.823 1.00 0.00 C ATOM 335 CG ASP A 25 5.815 11.992 5.681 1.00 0.00 C ATOM 336 OD1 ASP A 25 6.257 12.199 4.531 1.00 0.00 O ATOM 337 OD2 ASP A 25 6.195 12.561 6.727 1.00 0.00 O ATOM 0 H ASP A 25 2.789 10.068 4.517 1.00 0.00 H new ATOM 0 HA ASP A 25 5.556 9.971 4.102 1.00 0.00 H new ATOM 0 HB2 ASP A 25 3.747 11.430 5.649 1.00 0.00 H new ATOM 0 HB3 ASP A 25 4.701 10.583 6.851 1.00 0.00 H new ATOM 341 N ALA A 26 4.276 7.773 6.152 1.00 0.00 N ATOM 342 CA ALA A 26 4.544 6.590 6.952 1.00 0.00 C ATOM 343 C ALA A 26 5.220 5.531 6.079 1.00 0.00 C ATOM 344 O ALA A 26 6.351 5.130 6.348 1.00 0.00 O ATOM 345 CB ALA A 26 3.238 6.087 7.572 1.00 0.00 C ATOM 0 H ALA A 26 3.288 7.951 5.971 1.00 0.00 H new ATOM 0 HA ALA A 26 5.225 6.826 7.770 1.00 0.00 H new ATOM 0 HB1 ALA A 26 3.438 5.200 8.172 1.00 0.00 H new ATOM 0 HB2 ALA A 26 2.813 6.865 8.206 1.00 0.00 H new ATOM 0 HB3 ALA A 26 2.532 5.838 6.780 1.00 0.00 H new ATOM 351 N LEU A 27 4.499 5.109 5.051 1.00 0.00 N ATOM 352 CA LEU A 27 5.015 4.105 4.136 1.00 0.00 C ATOM 353 C LEU A 27 6.102 4.730 3.260 1.00 0.00 C ATOM 354 O LEU A 27 7.030 4.045 2.833 1.00 0.00 O ATOM 355 CB LEU A 27 3.874 3.467 3.341 1.00 0.00 C ATOM 356 CG LEU A 27 3.618 4.053 1.950 1.00 0.00 C ATOM 357 CD1 LEU A 27 3.021 5.457 2.047 1.00 0.00 C ATOM 358 CD2 LEU A 27 4.892 4.028 1.103 1.00 0.00 C ATOM 0 H LEU A 27 3.561 5.444 4.831 1.00 0.00 H new ATOM 0 HA LEU A 27 5.481 3.289 4.689 1.00 0.00 H new ATOM 0 HB2 LEU A 27 4.083 2.403 3.233 1.00 0.00 H new ATOM 0 HB3 LEU A 27 2.958 3.554 3.925 1.00 0.00 H new ATOM 0 HG LEU A 27 2.883 3.426 1.445 1.00 0.00 H new ATOM 0 HD11 LEU A 27 2.849 5.849 1.045 1.00 0.00 H new ATOM 0 HD12 LEU A 27 2.075 5.414 2.587 1.00 0.00 H new ATOM 0 HD13 LEU A 27 3.713 6.110 2.579 1.00 0.00 H new ATOM 0 HD21 LEU A 27 4.684 4.450 0.120 1.00 0.00 H new ATOM 0 HD22 LEU A 27 5.667 4.617 1.594 1.00 0.00 H new ATOM 0 HD23 LEU A 27 5.235 2.999 0.991 1.00 0.00 H new ATOM 369 N GLN A 28 5.951 6.024 3.018 1.00 0.00 N ATOM 370 CA GLN A 28 6.908 6.749 2.201 1.00 0.00 C ATOM 371 C GLN A 28 8.205 6.980 2.981 1.00 0.00 C ATOM 372 O GLN A 28 9.226 7.343 2.399 1.00 0.00 O ATOM 373 CB GLN A 28 6.319 8.074 1.712 1.00 0.00 C ATOM 374 CG GLN A 28 7.182 8.682 0.604 1.00 0.00 C ATOM 375 CD GLN A 28 7.589 10.116 0.952 1.00 0.00 C ATOM 376 OE1 GLN A 28 8.060 10.261 2.187 1.00 0.00 O flip ATOM 377 NE2 GLN A 28 7.483 11.030 0.150 1.00 0.00 N flip ATOM 0 H GLN A 28 5.180 6.589 3.374 1.00 0.00 H new ATOM 0 HA GLN A 28 7.138 6.145 1.323 1.00 0.00 H new ATOM 0 HB2 GLN A 28 5.307 7.911 1.342 1.00 0.00 H new ATOM 0 HB3 GLN A 28 6.245 8.773 2.545 1.00 0.00 H new ATOM 0 HG2 GLN A 28 8.074 8.073 0.456 1.00 0.00 H new ATOM 0 HG3 GLN A 28 6.631 8.674 -0.337 1.00 0.00 H new ATOM 0 HE21 GLN A 28 7.113 10.849 -0.783 1.00 0.00 H new ATOM 0 HE22 GLN A 28 7.764 11.974 0.413 1.00 0.00 H new ATOM 384 N PHE A 29 8.121 6.760 4.284 1.00 0.00 N ATOM 385 CA PHE A 29 9.275 6.938 5.149 1.00 0.00 C ATOM 386 C PHE A 29 10.141 5.677 5.177 1.00 0.00 C ATOM 387 O PHE A 29 11.341 5.738 4.918 1.00 0.00 O ATOM 388 CB PHE A 29 8.741 7.208 6.557 1.00 0.00 C ATOM 389 CG PHE A 29 9.397 6.356 7.645 1.00 0.00 C ATOM 390 CD1 PHE A 29 10.751 6.228 7.686 1.00 0.00 C ATOM 391 CD2 PHE A 29 8.627 5.725 8.572 1.00 0.00 C ATOM 392 CE1 PHE A 29 11.360 5.438 8.696 1.00 0.00 C ATOM 393 CE2 PHE A 29 9.236 4.934 9.582 1.00 0.00 C ATOM 394 CZ PHE A 29 10.589 4.807 9.622 1.00 0.00 C ATOM 0 H PHE A 29 7.272 6.460 4.762 1.00 0.00 H new ATOM 0 HA PHE A 29 9.891 7.760 4.783 1.00 0.00 H new ATOM 0 HB2 PHE A 29 8.890 8.261 6.795 1.00 0.00 H new ATOM 0 HB3 PHE A 29 7.666 7.028 6.568 1.00 0.00 H new ATOM 0 HD1 PHE A 29 11.363 6.728 6.950 1.00 0.00 H new ATOM 0 HD2 PHE A 29 7.552 5.826 8.540 1.00 0.00 H new ATOM 0 HE1 PHE A 29 12.435 5.338 8.729 1.00 0.00 H new ATOM 0 HE2 PHE A 29 8.625 4.433 10.318 1.00 0.00 H new ATOM 0 HZ PHE A 29 11.052 4.205 10.390 1.00 0.00 H new ATOM 403 N VAL A 30 9.496 4.563 5.494 1.00 0.00 N ATOM 404 CA VAL A 30 10.192 3.289 5.560 1.00 0.00 C ATOM 405 C VAL A 30 10.417 2.762 4.141 1.00 0.00 C ATOM 406 O VAL A 30 11.542 2.438 3.767 1.00 0.00 O ATOM 407 CB VAL A 30 9.414 2.314 6.445 1.00 0.00 C ATOM 408 CG1 VAL A 30 9.627 0.869 5.987 1.00 0.00 C ATOM 409 CG2 VAL A 30 9.796 2.483 7.917 1.00 0.00 C ATOM 0 H VAL A 30 8.500 4.517 5.708 1.00 0.00 H new ATOM 0 HA VAL A 30 11.173 3.412 6.020 1.00 0.00 H new ATOM 0 HB VAL A 30 8.354 2.546 6.346 1.00 0.00 H new ATOM 0 HG11 VAL A 30 9.063 0.196 6.633 1.00 0.00 H new ATOM 0 HG12 VAL A 30 9.283 0.759 4.959 1.00 0.00 H new ATOM 0 HG13 VAL A 30 10.687 0.622 6.043 1.00 0.00 H new ATOM 0 HG21 VAL A 30 9.228 1.778 8.524 1.00 0.00 H new ATOM 0 HG22 VAL A 30 10.862 2.292 8.041 1.00 0.00 H new ATOM 0 HG23 VAL A 30 9.571 3.500 8.237 1.00 0.00 H new ATOM 419 N CYS A 31 9.326 2.692 3.391 1.00 0.00 N ATOM 420 CA CYS A 31 9.390 2.210 2.022 1.00 0.00 C ATOM 421 C CYS A 31 10.424 3.045 1.266 1.00 0.00 C ATOM 422 O CYS A 31 11.059 2.557 0.333 1.00 0.00 O ATOM 423 CB CYS A 31 8.018 2.248 1.345 1.00 0.00 C ATOM 424 SG CYS A 31 7.580 0.735 0.413 1.00 0.00 S ATOM 0 H CYS A 31 8.394 2.961 3.706 1.00 0.00 H new ATOM 0 HA CYS A 31 9.696 1.164 2.016 1.00 0.00 H new ATOM 0 HB2 CYS A 31 7.258 2.422 2.106 1.00 0.00 H new ATOM 0 HB3 CYS A 31 7.988 3.099 0.664 1.00 0.00 H new ATOM 428 N GLY A 32 10.560 4.291 1.696 1.00 0.00 N ATOM 429 CA GLY A 32 11.506 5.199 1.071 1.00 0.00 C ATOM 430 C GLY A 32 10.815 6.489 0.623 1.00 0.00 C ATOM 431 O GLY A 32 9.894 6.452 -0.191 1.00 0.00 O ATOM 0 H GLY A 32 10.031 4.693 2.470 1.00 0.00 H new ATOM 0 HA2 GLY A 32 12.306 5.436 1.773 1.00 0.00 H new ATOM 0 HA3 GLY A 32 11.969 4.713 0.212 1.00 0.00 H new ATOM 435 N ASP A 33 11.286 7.597 1.174 1.00 0.00 N ATOM 436 CA ASP A 33 10.724 8.896 0.841 1.00 0.00 C ATOM 437 C ASP A 33 10.124 8.841 -0.565 1.00 0.00 C ATOM 438 O ASP A 33 9.109 9.482 -0.836 1.00 0.00 O ATOM 439 CB ASP A 33 11.802 9.981 0.854 1.00 0.00 C ATOM 440 CG ASP A 33 11.340 11.346 1.367 1.00 0.00 C ATOM 441 OD1 ASP A 33 10.512 11.967 0.665 1.00 0.00 O ATOM 442 OD2 ASP A 33 11.823 11.739 2.451 1.00 0.00 O ATOM 0 H ASP A 33 12.050 7.623 1.849 1.00 0.00 H new ATOM 0 HA ASP A 33 9.963 9.136 1.583 1.00 0.00 H new ATOM 0 HB2 ASP A 33 12.632 9.640 1.472 1.00 0.00 H new ATOM 0 HB3 ASP A 33 12.187 10.102 -0.159 1.00 0.00 H new ATOM 446 N ARG A 34 10.776 8.070 -1.423 1.00 0.00 N ATOM 447 CA ARG A 34 10.319 7.924 -2.795 1.00 0.00 C ATOM 448 C ARG A 34 8.837 7.546 -2.822 1.00 0.00 C ATOM 449 O ARG A 34 8.184 7.655 -3.860 1.00 0.00 O ATOM 450 CB ARG A 34 11.125 6.854 -3.532 1.00 0.00 C ATOM 451 CG ARG A 34 11.156 5.546 -2.740 1.00 0.00 C ATOM 452 CD ARG A 34 11.487 4.361 -3.649 1.00 0.00 C ATOM 453 NE ARG A 34 12.711 3.681 -3.171 1.00 0.00 N ATOM 454 CZ ARG A 34 13.955 4.096 -3.445 1.00 0.00 C ATOM 455 NH1 ARG A 34 14.148 5.189 -4.195 1.00 0.00 N ATOM 456 NH2 ARG A 34 15.008 3.416 -2.968 1.00 0.00 N ATOM 0 H ARG A 34 11.617 7.540 -1.195 1.00 0.00 H new ATOM 0 HA ARG A 34 10.463 8.881 -3.297 1.00 0.00 H new ATOM 0 HB2 ARG A 34 10.688 6.677 -4.515 1.00 0.00 H new ATOM 0 HB3 ARG A 34 12.143 7.209 -3.695 1.00 0.00 H new ATOM 0 HG2 ARG A 34 11.897 5.616 -1.944 1.00 0.00 H new ATOM 0 HG3 ARG A 34 10.190 5.383 -2.262 1.00 0.00 H new ATOM 0 HD2 ARG A 34 10.653 3.659 -3.663 1.00 0.00 H new ATOM 0 HD3 ARG A 34 11.630 4.707 -4.673 1.00 0.00 H new ATOM 0 HE ARG A 34 12.601 2.845 -2.598 1.00 0.00 H new ATOM 0 HH11 ARG A 34 13.347 5.706 -4.558 1.00 0.00 H new ATOM 0 HH12 ARG A 34 15.096 5.504 -4.403 1.00 0.00 H new ATOM 0 HH21 ARG A 34 14.861 2.584 -2.397 1.00 0.00 H new ATOM 0 HH22 ARG A 34 15.955 3.731 -3.176 1.00 0.00 H new ATOM 467 N GLY A 35 8.348 7.109 -1.671 1.00 0.00 N ATOM 468 CA GLY A 35 6.955 6.713 -1.551 1.00 0.00 C ATOM 469 C GLY A 35 6.660 5.479 -2.404 1.00 0.00 C ATOM 470 O GLY A 35 7.224 5.318 -3.485 1.00 0.00 O ATOM 0 H GLY A 35 8.892 7.020 -0.813 1.00 0.00 H new ATOM 0 HA2 GLY A 35 6.722 6.502 -0.507 1.00 0.00 H new ATOM 0 HA3 GLY A 35 6.311 7.536 -1.861 1.00 0.00 H new ATOM 474 N PHE A 36 5.777 4.638 -1.885 1.00 0.00 N ATOM 475 CA PHE A 36 5.400 3.423 -2.587 1.00 0.00 C ATOM 476 C PHE A 36 4.014 3.562 -3.221 1.00 0.00 C ATOM 477 O PHE A 36 3.048 3.901 -2.541 1.00 0.00 O ATOM 478 CB PHE A 36 5.361 2.300 -1.548 1.00 0.00 C ATOM 479 CG PHE A 36 3.955 1.774 -1.252 1.00 0.00 C ATOM 480 CD1 PHE A 36 3.163 1.341 -2.270 1.00 0.00 C ATOM 481 CD2 PHE A 36 3.496 1.741 0.028 1.00 0.00 C ATOM 482 CE1 PHE A 36 1.858 0.854 -1.996 1.00 0.00 C ATOM 483 CE2 PHE A 36 2.192 1.253 0.303 1.00 0.00 C ATOM 484 CZ PHE A 36 1.399 0.820 -0.715 1.00 0.00 C ATOM 0 H PHE A 36 5.312 4.774 -0.987 1.00 0.00 H new ATOM 0 HA PHE A 36 6.115 3.217 -3.383 1.00 0.00 H new ATOM 0 HB2 PHE A 36 5.981 1.474 -1.897 1.00 0.00 H new ATOM 0 HB3 PHE A 36 5.805 2.662 -0.621 1.00 0.00 H new ATOM 0 HD1 PHE A 36 3.527 1.368 -3.286 1.00 0.00 H new ATOM 0 HD2 PHE A 36 4.124 2.086 0.836 1.00 0.00 H new ATOM 0 HE1 PHE A 36 1.229 0.510 -2.804 1.00 0.00 H new ATOM 0 HE2 PHE A 36 1.829 1.225 1.320 1.00 0.00 H new ATOM 0 HZ PHE A 36 0.406 0.450 -0.506 1.00 0.00 H new ATOM 493 N TYR A 37 3.963 3.294 -4.518 1.00 0.00 N ATOM 494 CA TYR A 37 2.711 3.387 -5.252 1.00 0.00 C ATOM 495 C TYR A 37 1.611 2.578 -4.562 1.00 0.00 C ATOM 496 O TYR A 37 1.610 1.350 -4.618 1.00 0.00 O ATOM 497 CB TYR A 37 2.985 2.781 -6.630 1.00 0.00 C ATOM 498 CG TYR A 37 2.142 3.386 -7.754 1.00 0.00 C ATOM 499 CD1 TYR A 37 2.233 4.734 -8.035 1.00 0.00 C ATOM 500 CD2 TYR A 37 1.292 2.583 -8.487 1.00 0.00 C ATOM 501 CE1 TYR A 37 1.439 5.304 -9.093 1.00 0.00 C ATOM 502 CE2 TYR A 37 0.498 3.153 -9.545 1.00 0.00 C ATOM 503 CZ TYR A 37 0.611 4.485 -9.796 1.00 0.00 C ATOM 504 OH TYR A 37 -0.138 5.022 -10.795 1.00 0.00 O ATOM 0 H TYR A 37 4.767 3.013 -5.079 1.00 0.00 H new ATOM 0 HA TYR A 37 2.375 4.422 -5.310 1.00 0.00 H new ATOM 0 HB2 TYR A 37 4.040 2.912 -6.870 1.00 0.00 H new ATOM 0 HB3 TYR A 37 2.799 1.708 -6.587 1.00 0.00 H new ATOM 0 HD1 TYR A 37 2.899 5.361 -7.462 1.00 0.00 H new ATOM 0 HD2 TYR A 37 1.222 1.528 -8.267 1.00 0.00 H new ATOM 0 HE1 TYR A 37 1.500 6.358 -9.323 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -0.172 2.537 -10.126 1.00 0.00 H new ATOM 0 HH TYR A 37 -1.086 4.842 -10.626 1.00 0.00 H new ATOM 513 N PHE A 38 0.699 3.300 -3.927 1.00 0.00 N ATOM 514 CA PHE A 38 -0.405 2.666 -3.227 1.00 0.00 C ATOM 515 C PHE A 38 -1.356 1.983 -4.211 1.00 0.00 C ATOM 516 O PHE A 38 -1.000 0.981 -4.830 1.00 0.00 O ATOM 517 CB PHE A 38 -1.161 3.772 -2.489 1.00 0.00 C ATOM 518 CG PHE A 38 -0.260 4.715 -1.687 1.00 0.00 C ATOM 519 CD1 PHE A 38 0.947 4.281 -1.235 1.00 0.00 C ATOM 520 CD2 PHE A 38 -0.666 5.987 -1.429 1.00 0.00 C ATOM 521 CE1 PHE A 38 1.783 5.156 -0.492 1.00 0.00 C ATOM 522 CE2 PHE A 38 0.170 6.861 -0.686 1.00 0.00 C ATOM 523 CZ PHE A 38 1.377 6.427 -0.233 1.00 0.00 C ATOM 0 H PHE A 38 0.702 4.319 -3.883 1.00 0.00 H new ATOM 0 HA PHE A 38 -0.026 1.907 -2.543 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -1.727 4.357 -3.214 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -1.884 3.315 -1.813 1.00 0.00 H new ATOM 0 HD1 PHE A 38 1.270 3.271 -1.441 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -1.624 6.332 -1.789 1.00 0.00 H new ATOM 0 HE1 PHE A 38 2.741 4.812 -0.133 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -0.152 7.871 -0.480 1.00 0.00 H new ATOM 0 HZ PHE A 38 2.013 7.092 0.332 1.00 0.00 H new ATOM 532 N ASN A 39 -2.548 2.550 -4.323 1.00 0.00 N ATOM 533 CA ASN A 39 -3.554 2.008 -5.221 1.00 0.00 C ATOM 534 C ASN A 39 -2.939 1.806 -6.607 1.00 0.00 C ATOM 535 O ASN A 39 -2.946 2.718 -7.432 1.00 0.00 O ATOM 536 CB ASN A 39 -4.738 2.966 -5.364 1.00 0.00 C ATOM 537 CG ASN A 39 -5.871 2.321 -6.164 1.00 0.00 C ATOM 538 OD1 ASN A 39 -6.064 1.116 -6.156 1.00 0.00 O ATOM 539 ND2 ASN A 39 -6.606 3.188 -6.855 1.00 0.00 N ATOM 0 H ASN A 39 -2.840 3.380 -3.807 1.00 0.00 H new ATOM 0 HA ASN A 39 -3.903 1.063 -4.805 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -5.101 3.251 -4.377 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -4.413 3.881 -5.860 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -7.386 2.857 -7.423 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -6.390 4.184 -6.817 1.00 0.00 H new ATOM 545 N LYS A 40 -2.419 0.606 -6.820 1.00 0.00 N ATOM 546 CA LYS A 40 -1.801 0.273 -8.092 1.00 0.00 C ATOM 547 C LYS A 40 -2.759 0.633 -9.229 1.00 0.00 C ATOM 548 O LYS A 40 -2.379 1.330 -10.169 1.00 0.00 O ATOM 549 CB LYS A 40 -1.354 -1.191 -8.103 1.00 0.00 C ATOM 550 CG LYS A 40 -1.417 -1.771 -9.517 1.00 0.00 C ATOM 551 CD LYS A 40 -2.698 -2.584 -9.719 1.00 0.00 C ATOM 552 CE LYS A 40 -2.510 -3.642 -10.808 1.00 0.00 C ATOM 553 NZ LYS A 40 -3.001 -3.139 -12.110 1.00 0.00 N ATOM 0 H LYS A 40 -2.413 -0.148 -6.133 1.00 0.00 H new ATOM 0 HA LYS A 40 -0.895 0.860 -8.241 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -0.337 -1.268 -7.719 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -1.990 -1.775 -7.438 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -1.376 -0.963 -10.248 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -0.548 -2.405 -9.693 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -2.978 -3.067 -8.783 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -3.517 -1.918 -9.992 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -1.456 -3.907 -10.888 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -3.047 -4.551 -10.537 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -2.866 -3.870 -12.838 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -4.012 -2.909 -12.034 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -2.470 -2.285 -12.375 1.00 0.00 H new ATOM 563 N PRO A 41 -4.015 0.127 -9.103 1.00 0.00 N ATOM 564 CA PRO A 41 -5.031 0.387 -10.110 1.00 0.00 C ATOM 565 C PRO A 41 -5.559 1.819 -9.999 1.00 0.00 C ATOM 566 O PRO A 41 -6.768 2.040 -10.007 1.00 0.00 O ATOM 567 CB PRO A 41 -6.103 -0.662 -9.867 1.00 0.00 C ATOM 568 CG PRO A 41 -5.875 -1.172 -8.453 1.00 0.00 C ATOM 569 CD PRO A 41 -4.501 -0.703 -8.005 1.00 0.00 C ATOM 0 HA PRO A 41 -4.644 0.314 -11.127 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -7.100 -0.233 -9.971 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -6.027 -1.473 -10.592 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -6.645 -0.793 -7.782 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -5.935 -2.260 -8.425 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -4.560 -0.136 -7.076 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -3.835 -1.546 -7.822 1.00 0.00 H new ATOM 574 N THR A 42 -4.625 2.753 -9.896 1.00 0.00 N ATOM 575 CA THR A 42 -4.981 4.157 -9.784 1.00 0.00 C ATOM 576 C THR A 42 -6.171 4.481 -10.690 1.00 0.00 C ATOM 577 O THR A 42 -6.461 3.740 -11.627 1.00 0.00 O ATOM 578 CB THR A 42 -3.735 4.988 -10.098 1.00 0.00 C ATOM 579 OG1 THR A 42 -2.652 4.156 -9.694 1.00 0.00 O ATOM 580 CG2 THR A 42 -3.612 6.222 -9.203 1.00 0.00 C ATOM 0 H THR A 42 -3.623 2.565 -9.888 1.00 0.00 H new ATOM 0 HA THR A 42 -5.307 4.402 -8.773 1.00 0.00 H new ATOM 0 HB THR A 42 -3.761 5.299 -11.142 1.00 0.00 H new ATOM 0 HG1 THR A 42 -2.762 3.910 -8.752 1.00 0.00 H new ATOM 0 HG21 THR A 42 -2.711 6.775 -9.468 1.00 0.00 H new ATOM 0 HG22 THR A 42 -4.484 6.861 -9.342 1.00 0.00 H new ATOM 0 HG23 THR A 42 -3.553 5.911 -8.160 1.00 0.00 H new ATOM 588 N GLY A 43 -6.829 5.588 -10.376 1.00 0.00 N ATOM 589 CA GLY A 43 -7.981 6.018 -11.151 1.00 0.00 C ATOM 590 C GLY A 43 -7.781 5.727 -12.639 1.00 0.00 C ATOM 591 O GLY A 43 -6.904 6.308 -13.276 1.00 0.00 O ATOM 0 H GLY A 43 -6.587 6.199 -9.596 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -8.875 5.507 -10.794 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -8.144 7.086 -11.004 1.00 0.00 H new ATOM 595 N TYR A 44 -8.610 4.829 -13.150 1.00 0.00 N ATOM 596 CA TYR A 44 -8.536 4.454 -14.552 1.00 0.00 C ATOM 597 C TYR A 44 -9.887 3.942 -15.055 1.00 0.00 C ATOM 598 O TYR A 44 -10.504 3.086 -14.425 1.00 0.00 O ATOM 599 CB TYR A 44 -7.512 3.319 -14.631 1.00 0.00 C ATOM 600 CG TYR A 44 -6.765 3.246 -15.965 1.00 0.00 C ATOM 601 CD1 TYR A 44 -5.669 4.054 -16.187 1.00 0.00 C ATOM 602 CD2 TYR A 44 -7.190 2.373 -16.946 1.00 0.00 C ATOM 603 CE1 TYR A 44 -4.966 3.986 -17.442 1.00 0.00 C ATOM 604 CE2 TYR A 44 -6.487 2.305 -18.201 1.00 0.00 C ATOM 605 CZ TYR A 44 -5.410 3.114 -18.387 1.00 0.00 C ATOM 606 OH TYR A 44 -4.747 3.049 -19.573 1.00 0.00 O ATOM 0 H TYR A 44 -9.337 4.350 -12.618 1.00 0.00 H new ATOM 0 HA TYR A 44 -8.258 5.312 -15.165 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -6.787 3.441 -13.826 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -8.022 2.371 -14.459 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -5.338 4.738 -15.419 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -8.049 1.742 -16.773 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -4.106 4.613 -17.629 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -6.808 1.626 -18.977 1.00 0.00 H new ATOM 0 HH TYR A 44 -5.175 2.383 -20.151 1.00 0.00 H new ATOM 615 N GLY A 45 -10.306 4.489 -16.187 1.00 0.00 N ATOM 616 CA GLY A 45 -11.573 4.099 -16.782 1.00 0.00 C ATOM 617 C GLY A 45 -11.802 2.593 -16.647 1.00 0.00 C ATOM 618 O GLY A 45 -12.699 2.159 -15.926 1.00 0.00 O ATOM 0 H GLY A 45 -9.791 5.199 -16.708 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -12.387 4.639 -16.299 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -11.586 4.379 -17.835 1.00 0.00 H new ATOM 622 N SER A 46 -10.973 1.835 -17.351 1.00 0.00 N ATOM 623 CA SER A 46 -11.073 0.385 -17.319 1.00 0.00 C ATOM 624 C SER A 46 -10.340 -0.162 -16.094 1.00 0.00 C ATOM 625 O SER A 46 -9.306 -0.817 -16.225 1.00 0.00 O ATOM 626 CB SER A 46 -10.506 -0.234 -18.598 1.00 0.00 C ATOM 627 OG SER A 46 -10.772 -1.631 -18.677 1.00 0.00 O ATOM 0 H SER A 46 -10.229 2.198 -17.947 1.00 0.00 H new ATOM 0 HA SER A 46 -12.127 0.115 -17.254 1.00 0.00 H new ATOM 0 HB2 SER A 46 -10.937 0.267 -19.465 1.00 0.00 H new ATOM 0 HB3 SER A 46 -9.430 -0.067 -18.635 1.00 0.00 H new ATOM 0 HG SER A 46 -10.396 -1.989 -19.508 1.00 0.00 H new ATOM 632 N SER A 47 -10.902 0.126 -14.929 1.00 0.00 N ATOM 633 CA SER A 47 -10.315 -0.330 -13.681 1.00 0.00 C ATOM 634 C SER A 47 -11.342 -0.229 -12.551 1.00 0.00 C ATOM 635 O SER A 47 -11.197 0.592 -11.647 1.00 0.00 O ATOM 636 CB SER A 47 -9.063 0.479 -13.334 1.00 0.00 C ATOM 637 OG SER A 47 -8.435 0.006 -12.145 1.00 0.00 O ATOM 0 H SER A 47 -11.758 0.670 -14.823 1.00 0.00 H new ATOM 0 HA SER A 47 -10.020 -1.372 -13.803 1.00 0.00 H new ATOM 0 HB2 SER A 47 -8.357 0.427 -14.162 1.00 0.00 H new ATOM 0 HB3 SER A 47 -9.332 1.528 -13.209 1.00 0.00 H new ATOM 0 HG SER A 47 -7.639 0.547 -11.958 1.00 0.00 H new ATOM 642 N SER A 48 -12.357 -1.077 -12.640 1.00 0.00 N ATOM 643 CA SER A 48 -13.408 -1.093 -11.636 1.00 0.00 C ATOM 644 C SER A 48 -13.343 -2.393 -10.832 1.00 0.00 C ATOM 645 O SER A 48 -14.071 -3.341 -11.119 1.00 0.00 O ATOM 646 CB SER A 48 -14.787 -0.935 -12.281 1.00 0.00 C ATOM 647 OG SER A 48 -15.837 -1.291 -11.386 1.00 0.00 O ATOM 0 H SER A 48 -12.474 -1.757 -13.391 1.00 0.00 H new ATOM 0 HA SER A 48 -13.253 -0.250 -10.963 1.00 0.00 H new ATOM 0 HB2 SER A 48 -14.920 0.097 -12.604 1.00 0.00 H new ATOM 0 HB3 SER A 48 -14.844 -1.558 -13.173 1.00 0.00 H new ATOM 0 HG SER A 48 -16.701 -1.176 -11.833 1.00 0.00 H new ATOM 652 N ARG A 49 -12.463 -2.394 -9.841 1.00 0.00 N ATOM 653 CA ARG A 49 -12.295 -3.563 -8.993 1.00 0.00 C ATOM 654 C ARG A 49 -11.541 -3.186 -7.715 1.00 0.00 C ATOM 655 O ARG A 49 -10.905 -2.135 -7.653 1.00 0.00 O ATOM 656 CB ARG A 49 -11.525 -4.666 -9.723 1.00 0.00 C ATOM 657 CG ARG A 49 -12.471 -5.772 -10.197 1.00 0.00 C ATOM 658 CD ARG A 49 -12.163 -6.175 -11.641 1.00 0.00 C ATOM 659 NE ARG A 49 -12.653 -5.134 -12.573 1.00 0.00 N ATOM 660 CZ ARG A 49 -13.906 -5.080 -13.045 1.00 0.00 C ATOM 661 NH1 ARG A 49 -14.802 -6.004 -12.675 1.00 0.00 N ATOM 662 NH2 ARG A 49 -14.262 -4.100 -13.887 1.00 0.00 N ATOM 0 H ARG A 49 -11.860 -1.606 -9.606 1.00 0.00 H new ATOM 0 HA ARG A 49 -13.288 -3.935 -8.739 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -10.998 -4.242 -10.578 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -10.770 -5.088 -9.060 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -12.376 -6.640 -9.545 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -13.503 -5.429 -10.124 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -11.089 -6.312 -11.768 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -12.635 -7.130 -11.869 1.00 0.00 H new ATOM 0 HE ARG A 49 -11.997 -4.414 -12.874 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -14.531 -6.749 -12.034 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -15.756 -5.962 -13.035 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -13.579 -3.396 -14.168 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -15.216 -4.058 -14.247 1.00 0.00 H new ATOM 673 N ARG A 50 -11.641 -4.064 -6.728 1.00 0.00 N ATOM 674 CA ARG A 50 -10.977 -3.837 -5.455 1.00 0.00 C ATOM 675 C ARG A 50 -9.633 -3.140 -5.674 1.00 0.00 C ATOM 676 O ARG A 50 -8.631 -3.792 -5.966 1.00 0.00 O ATOM 677 CB ARG A 50 -10.746 -5.154 -4.713 1.00 0.00 C ATOM 678 CG ARG A 50 -12.074 -5.809 -4.330 1.00 0.00 C ATOM 679 CD ARG A 50 -12.417 -5.539 -2.864 1.00 0.00 C ATOM 680 NE ARG A 50 -13.682 -6.220 -2.505 1.00 0.00 N ATOM 681 CZ ARG A 50 -14.398 -5.943 -1.408 1.00 0.00 C ATOM 682 NH1 ARG A 50 -13.980 -4.999 -0.554 1.00 0.00 N ATOM 683 NH2 ARG A 50 -15.534 -6.611 -1.163 1.00 0.00 N ATOM 0 H ARG A 50 -12.171 -4.933 -6.784 1.00 0.00 H new ATOM 0 HA ARG A 50 -11.625 -3.202 -4.851 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -10.170 -5.833 -5.341 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -10.155 -4.971 -3.816 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -12.870 -5.427 -4.969 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -12.016 -6.884 -4.501 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -11.610 -5.892 -2.222 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -12.512 -4.466 -2.696 1.00 0.00 H new ATOM 0 HE ARG A 50 -14.030 -6.945 -3.132 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -13.115 -4.490 -0.739 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -14.526 -4.789 0.281 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -15.853 -7.330 -1.812 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -16.080 -6.400 -0.327 1.00 0.00 H new ATOM 694 N ALA A 51 -9.654 -1.824 -5.525 1.00 0.00 N ATOM 695 CA ALA A 51 -8.449 -1.031 -5.703 1.00 0.00 C ATOM 696 C ALA A 51 -7.787 -0.805 -4.342 1.00 0.00 C ATOM 697 O ALA A 51 -8.454 -0.845 -3.309 1.00 0.00 O ATOM 698 CB ALA A 51 -8.801 0.282 -6.405 1.00 0.00 C ATOM 0 H ALA A 51 -10.486 -1.286 -5.283 1.00 0.00 H new ATOM 0 HA ALA A 51 -7.733 -1.557 -6.335 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -7.897 0.877 -6.539 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -9.241 0.067 -7.379 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -9.515 0.839 -5.799 1.00 0.00 H new ATOM 704 N CYS A 52 -6.484 -0.572 -4.385 1.00 0.00 N ATOM 705 CA CYS A 52 -5.725 -0.340 -3.169 1.00 0.00 C ATOM 706 C CYS A 52 -6.275 -1.257 -2.076 1.00 0.00 C ATOM 707 O CYS A 52 -6.936 -0.796 -1.147 1.00 0.00 O ATOM 708 CB CYS A 52 -5.762 1.132 -2.750 1.00 0.00 C ATOM 709 SG CYS A 52 -7.391 1.857 -3.160 1.00 0.00 S ATOM 0 H CYS A 52 -5.934 -0.539 -5.244 1.00 0.00 H new ATOM 0 HA CYS A 52 -4.675 -0.574 -3.344 1.00 0.00 H new ATOM 0 HB2 CYS A 52 -5.575 1.219 -1.680 1.00 0.00 H new ATOM 0 HB3 CYS A 52 -4.971 1.683 -3.258 1.00 0.00 H new ATOM 0 HG CYS A 52 -8.301 0.929 -3.123 1.00 0.00 H new ATOM 714 N GLN A 53 -5.982 -2.542 -2.223 1.00 0.00 N ATOM 715 CA GLN A 53 -6.439 -3.529 -1.261 1.00 0.00 C ATOM 716 C GLN A 53 -6.210 -3.026 0.166 1.00 0.00 C ATOM 717 O GLN A 53 -7.159 -2.865 0.931 1.00 0.00 O ATOM 718 CB GLN A 53 -5.748 -4.875 -1.485 1.00 0.00 C ATOM 719 CG GLN A 53 -4.392 -4.688 -2.169 1.00 0.00 C ATOM 720 CD GLN A 53 -4.505 -4.907 -3.680 1.00 0.00 C ATOM 721 OE1 GLN A 53 -4.546 -3.976 -4.467 1.00 0.00 O ATOM 722 NE2 GLN A 53 -4.552 -6.187 -4.038 1.00 0.00 N ATOM 0 H GLN A 53 -5.433 -2.921 -2.995 1.00 0.00 H new ATOM 0 HA GLN A 53 -7.509 -3.679 -1.405 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -5.611 -5.381 -0.529 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -6.383 -5.516 -2.097 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -4.016 -3.684 -1.971 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -3.669 -5.388 -1.749 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -4.513 -6.917 -3.327 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -4.627 -6.438 -5.024 1.00 0.00 H new ATOM 729 N THR A 54 -4.943 -2.791 0.480 1.00 0.00 N ATOM 730 CA THR A 54 -4.576 -2.309 1.800 1.00 0.00 C ATOM 731 C THR A 54 -4.332 -0.799 1.768 1.00 0.00 C ATOM 732 O THR A 54 -3.580 -0.271 2.586 1.00 0.00 O ATOM 733 CB THR A 54 -3.364 -3.111 2.276 1.00 0.00 C ATOM 734 OG1 THR A 54 -3.160 -2.670 3.615 1.00 0.00 O ATOM 735 CG2 THR A 54 -2.076 -2.711 1.552 1.00 0.00 C ATOM 0 H THR A 54 -4.159 -2.926 -0.158 1.00 0.00 H new ATOM 0 HA THR A 54 -5.385 -2.460 2.515 1.00 0.00 H new ATOM 0 HB THR A 54 -3.550 -4.174 2.125 1.00 0.00 H new ATOM 0 HG1 THR A 54 -3.760 -1.919 3.807 1.00 0.00 H new ATOM 0 HG21 THR A 54 -1.246 -3.310 1.927 1.00 0.00 H new ATOM 0 HG22 THR A 54 -2.192 -2.882 0.482 1.00 0.00 H new ATOM 0 HG23 THR A 54 -1.871 -1.655 1.731 1.00 0.00 H new ATOM 743 N GLY A 55 -4.982 -0.146 0.816 1.00 0.00 N ATOM 744 CA GLY A 55 -4.845 1.292 0.667 1.00 0.00 C ATOM 745 C GLY A 55 -4.146 1.905 1.882 1.00 0.00 C ATOM 746 O GLY A 55 -4.785 2.183 2.895 1.00 0.00 O ATOM 0 H GLY A 55 -5.605 -0.587 0.140 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -4.276 1.515 -0.235 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -5.829 1.744 0.543 1.00 0.00 H new ATOM 750 N ILE A 56 -2.842 2.098 1.740 1.00 0.00 N ATOM 751 CA ILE A 56 -2.049 2.672 2.813 1.00 0.00 C ATOM 752 C ILE A 56 -2.622 4.041 3.187 1.00 0.00 C ATOM 753 O ILE A 56 -2.303 4.583 4.245 1.00 0.00 O ATOM 754 CB ILE A 56 -0.570 2.710 2.426 1.00 0.00 C ATOM 755 CG1 ILE A 56 0.244 1.732 3.277 1.00 0.00 C ATOM 756 CG2 ILE A 56 -0.019 4.135 2.503 1.00 0.00 C ATOM 757 CD1 ILE A 56 -0.047 0.284 2.878 1.00 0.00 C ATOM 0 H ILE A 56 -2.316 1.867 0.898 1.00 0.00 H new ATOM 0 HA ILE A 56 -2.105 2.047 3.704 1.00 0.00 H new ATOM 0 HB ILE A 56 -0.479 2.387 1.389 1.00 0.00 H new ATOM 0 HG12 ILE A 56 1.308 1.939 3.158 1.00 0.00 H new ATOM 0 HG13 ILE A 56 0.007 1.877 4.331 1.00 0.00 H new ATOM 0 HG21 ILE A 56 1.034 4.133 2.223 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -0.575 4.777 1.820 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -0.123 4.511 3.521 1.00 0.00 H new ATOM 0 HD11 ILE A 56 0.544 -0.390 3.498 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -1.107 0.073 3.021 1.00 0.00 H new ATOM 0 HD13 ILE A 56 0.214 0.136 1.830 1.00 0.00 H new ATOM 768 N VAL A 57 -3.457 4.561 2.300 1.00 0.00 N ATOM 769 CA VAL A 57 -4.077 5.855 2.523 1.00 0.00 C ATOM 770 C VAL A 57 -5.590 5.675 2.658 1.00 0.00 C ATOM 771 O VAL A 57 -6.215 6.279 3.529 1.00 0.00 O ATOM 772 CB VAL A 57 -3.688 6.822 1.403 1.00 0.00 C ATOM 773 CG1 VAL A 57 -3.319 8.196 1.969 1.00 0.00 C ATOM 774 CG2 VAL A 57 -2.545 6.253 0.559 1.00 0.00 C ATOM 0 H VAL A 57 -3.719 4.109 1.424 1.00 0.00 H new ATOM 0 HA VAL A 57 -3.718 6.295 3.453 1.00 0.00 H new ATOM 0 HB VAL A 57 -4.554 6.948 0.753 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -3.046 8.865 1.152 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -4.172 8.609 2.507 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -2.475 8.094 2.651 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -2.288 6.960 -0.230 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -1.674 6.084 1.192 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -2.857 5.309 0.112 1.00 0.00 H new ATOM 784 N ASP A 58 -6.135 4.842 1.784 1.00 0.00 N ATOM 785 CA ASP A 58 -7.563 4.576 1.795 1.00 0.00 C ATOM 786 C ASP A 58 -7.874 3.528 2.866 1.00 0.00 C ATOM 787 O ASP A 58 -8.968 3.513 3.426 1.00 0.00 O ATOM 788 CB ASP A 58 -8.031 4.025 0.446 1.00 0.00 C ATOM 789 CG ASP A 58 -8.462 5.085 -0.571 1.00 0.00 C ATOM 790 OD1 ASP A 58 -8.569 6.259 -0.155 1.00 0.00 O ATOM 791 OD2 ASP A 58 -8.674 4.697 -1.739 1.00 0.00 O ATOM 0 H ASP A 58 -5.613 4.343 1.064 1.00 0.00 H new ATOM 0 HA ASP A 58 -8.079 5.514 2.001 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -7.224 3.434 0.012 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -8.867 3.347 0.618 1.00 0.00 H new ATOM 795 N GLU A 59 -6.890 2.676 3.118 1.00 0.00 N ATOM 796 CA GLU A 59 -7.045 1.628 4.112 1.00 0.00 C ATOM 797 C GLU A 59 -6.512 2.098 5.467 1.00 0.00 C ATOM 798 O GLU A 59 -6.900 1.569 6.507 1.00 0.00 O ATOM 799 CB GLU A 59 -6.348 0.341 3.665 1.00 0.00 C ATOM 800 CG GLU A 59 -7.132 -0.893 4.115 1.00 0.00 C ATOM 801 CD GLU A 59 -6.262 -1.813 4.973 1.00 0.00 C ATOM 802 OE1 GLU A 59 -5.025 -1.744 4.805 1.00 0.00 O ATOM 803 OE2 GLU A 59 -6.853 -2.564 5.779 1.00 0.00 O ATOM 0 H GLU A 59 -5.983 2.691 2.651 1.00 0.00 H new ATOM 0 HA GLU A 59 -8.108 1.409 4.218 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -6.247 0.336 2.580 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -5.340 0.307 4.079 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -8.010 -0.584 4.682 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -7.492 -1.437 3.242 1.00 0.00 H new ATOM 808 N CYS A 60 -5.632 3.087 5.410 1.00 0.00 N ATOM 809 CA CYS A 60 -5.041 3.634 6.619 1.00 0.00 C ATOM 810 C CYS A 60 -6.039 4.616 7.238 1.00 0.00 C ATOM 811 O CYS A 60 -6.176 4.681 8.459 1.00 0.00 O ATOM 812 CB CYS A 60 -3.689 4.292 6.341 1.00 0.00 C ATOM 813 SG CYS A 60 -2.275 3.134 6.256 1.00 0.00 S ATOM 0 H CYS A 60 -5.314 3.524 4.545 1.00 0.00 H new ATOM 0 HA CYS A 60 -4.839 2.829 7.325 1.00 0.00 H new ATOM 0 HB2 CYS A 60 -3.752 4.836 5.398 1.00 0.00 H new ATOM 0 HB3 CYS A 60 -3.492 5.028 7.121 1.00 0.00 H new ATOM 0 HG CYS A 60 -2.695 1.920 6.456 1.00 0.00 H new ATOM 817 N CYS A 61 -6.708 5.357 6.368 1.00 0.00 N ATOM 818 CA CYS A 61 -7.686 6.334 6.813 1.00 0.00 C ATOM 819 C CYS A 61 -8.979 5.593 7.162 1.00 0.00 C ATOM 820 O CYS A 61 -9.693 5.983 8.085 1.00 0.00 O ATOM 821 CB CYS A 61 -7.919 7.422 5.763 1.00 0.00 C ATOM 822 SG CYS A 61 -7.741 9.135 6.381 1.00 0.00 S ATOM 0 H CYS A 61 -6.592 5.300 5.356 1.00 0.00 H new ATOM 0 HA CYS A 61 -7.312 6.849 7.697 1.00 0.00 H new ATOM 0 HB2 CYS A 61 -7.217 7.272 4.943 1.00 0.00 H new ATOM 0 HB3 CYS A 61 -8.921 7.301 5.351 1.00 0.00 H new ATOM 826 N PHE A 62 -9.242 4.536 6.406 1.00 0.00 N ATOM 827 CA PHE A 62 -10.435 3.738 6.624 1.00 0.00 C ATOM 828 C PHE A 62 -10.198 2.683 7.707 1.00 0.00 C ATOM 829 O PHE A 62 -10.952 2.604 8.676 1.00 0.00 O ATOM 830 CB PHE A 62 -10.750 3.033 5.302 1.00 0.00 C ATOM 831 CG PHE A 62 -12.028 2.196 5.333 1.00 0.00 C ATOM 832 CD1 PHE A 62 -12.011 0.947 5.873 1.00 0.00 C ATOM 833 CD2 PHE A 62 -13.184 2.699 4.820 1.00 0.00 C ATOM 834 CE1 PHE A 62 -13.199 0.169 5.901 1.00 0.00 C ATOM 835 CE2 PHE A 62 -14.371 1.920 4.849 1.00 0.00 C ATOM 836 CZ PHE A 62 -14.353 0.672 5.388 1.00 0.00 C ATOM 0 H PHE A 62 -8.648 4.215 5.642 1.00 0.00 H new ATOM 0 HA PHE A 62 -11.256 4.377 6.950 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -10.837 3.782 4.515 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -9.912 2.388 5.037 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -11.094 0.547 6.280 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -13.199 3.690 4.391 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -13.185 -0.822 6.330 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -15.289 2.319 4.443 1.00 0.00 H new ATOM 0 HZ PHE A 62 -15.256 0.080 5.409 1.00 0.00 H new ATOM 845 N ARG A 63 -9.150 1.899 7.505 1.00 0.00 N ATOM 846 CA ARG A 63 -8.805 0.852 8.452 1.00 0.00 C ATOM 847 C ARG A 63 -7.524 1.219 9.205 1.00 0.00 C ATOM 848 O ARG A 63 -6.423 0.928 8.744 1.00 0.00 O ATOM 849 CB ARG A 63 -8.603 -0.488 7.742 1.00 0.00 C ATOM 850 CG ARG A 63 -9.869 -1.345 7.818 1.00 0.00 C ATOM 851 CD ARG A 63 -9.562 -2.725 8.401 1.00 0.00 C ATOM 852 NE ARG A 63 -9.462 -3.724 7.313 1.00 0.00 N ATOM 853 CZ ARG A 63 -8.943 -4.949 7.463 1.00 0.00 C ATOM 854 NH1 ARG A 63 -8.472 -5.336 8.656 1.00 0.00 N ATOM 855 NH2 ARG A 63 -8.893 -5.789 6.419 1.00 0.00 N ATOM 0 H ARG A 63 -8.528 1.967 6.699 1.00 0.00 H new ATOM 0 HA ARG A 63 -9.631 0.757 9.156 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -8.339 -0.315 6.699 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -7.769 -1.023 8.197 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -10.615 -0.844 8.434 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -10.299 -1.454 6.822 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -8.628 -2.692 8.962 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -10.345 -3.015 9.101 1.00 0.00 H new ATOM 0 HE ARG A 63 -9.811 -3.462 6.391 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -8.509 -4.697 9.450 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -8.077 -6.269 8.770 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -9.250 -5.495 5.510 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -8.497 -6.722 6.534 1.00 0.00 H new ATOM 866 N SER A 64 -7.714 1.854 10.353 1.00 0.00 N ATOM 867 CA SER A 64 -6.588 2.263 11.176 1.00 0.00 C ATOM 868 C SER A 64 -5.354 1.431 10.826 1.00 0.00 C ATOM 869 O SER A 64 -5.158 0.345 11.371 1.00 0.00 O ATOM 870 CB SER A 64 -6.916 2.129 12.664 1.00 0.00 C ATOM 871 OG SER A 64 -7.383 3.355 13.221 1.00 0.00 O ATOM 0 H SER A 64 -8.630 2.095 10.732 1.00 0.00 H new ATOM 0 HA SER A 64 -6.379 3.313 10.972 1.00 0.00 H new ATOM 0 HB2 SER A 64 -7.674 1.357 12.800 1.00 0.00 H new ATOM 0 HB3 SER A 64 -6.027 1.801 13.203 1.00 0.00 H new ATOM 0 HG SER A 64 -7.583 3.227 14.172 1.00 0.00 H new ATOM 876 N CYS A 65 -4.553 1.969 9.919 1.00 0.00 N ATOM 877 CA CYS A 65 -3.342 1.290 9.490 1.00 0.00 C ATOM 878 C CYS A 65 -2.160 2.239 9.694 1.00 0.00 C ATOM 879 O CYS A 65 -1.897 3.097 8.853 1.00 0.00 O ATOM 880 CB CYS A 65 -3.446 0.810 8.042 1.00 0.00 C ATOM 881 SG CYS A 65 -2.414 1.739 6.850 1.00 0.00 S ATOM 0 H CYS A 65 -4.719 2.869 9.468 1.00 0.00 H new ATOM 0 HA CYS A 65 -3.193 0.393 10.091 1.00 0.00 H new ATOM 0 HB2 CYS A 65 -3.165 -0.242 8.002 1.00 0.00 H new ATOM 0 HB3 CYS A 65 -4.487 0.874 7.727 1.00 0.00 H new ATOM 0 HG CYS A 65 -2.307 2.975 7.239 1.00 0.00 H new ATOM 885 N ASP A 66 -1.478 2.052 10.814 1.00 0.00 N ATOM 886 CA ASP A 66 -0.330 2.882 11.139 1.00 0.00 C ATOM 887 C ASP A 66 0.755 2.680 10.080 1.00 0.00 C ATOM 888 O ASP A 66 0.525 2.923 8.896 1.00 0.00 O ATOM 889 CB ASP A 66 0.259 2.499 12.498 1.00 0.00 C ATOM 890 CG ASP A 66 -0.698 2.645 13.682 1.00 0.00 C ATOM 891 OD1 ASP A 66 -1.923 2.633 13.427 1.00 0.00 O ATOM 892 OD2 ASP A 66 -0.186 2.765 14.816 1.00 0.00 O ATOM 0 H ASP A 66 -1.698 1.338 11.508 1.00 0.00 H new ATOM 0 HA ASP A 66 -0.661 3.920 11.169 1.00 0.00 H new ATOM 0 HB2 ASP A 66 0.600 1.465 12.451 1.00 0.00 H new ATOM 0 HB3 ASP A 66 1.138 3.116 12.683 1.00 0.00 H new ATOM 896 N LEU A 67 1.915 2.237 10.543 1.00 0.00 N ATOM 897 CA LEU A 67 3.036 2.000 9.650 1.00 0.00 C ATOM 898 C LEU A 67 3.018 0.540 9.192 1.00 0.00 C ATOM 899 O LEU A 67 3.431 0.230 8.075 1.00 0.00 O ATOM 900 CB LEU A 67 4.349 2.419 10.315 1.00 0.00 C ATOM 901 CG LEU A 67 4.813 3.851 10.040 1.00 0.00 C ATOM 902 CD1 LEU A 67 4.305 4.808 11.119 1.00 0.00 C ATOM 903 CD2 LEU A 67 6.333 3.914 9.885 1.00 0.00 C ATOM 0 H LEU A 67 2.102 2.036 11.525 1.00 0.00 H new ATOM 0 HA LEU A 67 2.947 2.617 8.756 1.00 0.00 H new ATOM 0 HB2 LEU A 67 4.244 2.293 11.393 1.00 0.00 H new ATOM 0 HB3 LEU A 67 5.133 1.735 9.989 1.00 0.00 H new ATOM 0 HG LEU A 67 4.380 4.175 9.094 1.00 0.00 H new ATOM 0 HD11 LEU A 67 4.649 5.819 10.900 1.00 0.00 H new ATOM 0 HD12 LEU A 67 3.215 4.791 11.137 1.00 0.00 H new ATOM 0 HD13 LEU A 67 4.688 4.497 12.091 1.00 0.00 H new ATOM 0 HD21 LEU A 67 6.637 4.943 9.690 1.00 0.00 H new ATOM 0 HD22 LEU A 67 6.807 3.563 10.802 1.00 0.00 H new ATOM 0 HD23 LEU A 67 6.640 3.281 9.052 1.00 0.00 H new ATOM 914 N ARG A 68 2.535 -0.319 10.078 1.00 0.00 N ATOM 915 CA ARG A 68 2.457 -1.739 9.780 1.00 0.00 C ATOM 916 C ARG A 68 2.065 -1.952 8.317 1.00 0.00 C ATOM 917 O ARG A 68 2.786 -2.607 7.565 1.00 0.00 O ATOM 918 CB ARG A 68 1.438 -2.437 10.681 1.00 0.00 C ATOM 919 CG ARG A 68 1.820 -3.901 10.911 1.00 0.00 C ATOM 920 CD ARG A 68 0.574 -4.774 11.072 1.00 0.00 C ATOM 921 NE ARG A 68 0.615 -5.896 10.109 1.00 0.00 N ATOM 922 CZ ARG A 68 -0.420 -6.711 9.860 1.00 0.00 C ATOM 923 NH1 ARG A 68 -1.583 -6.532 10.501 1.00 0.00 N ATOM 924 NH2 ARG A 68 -0.292 -7.704 8.970 1.00 0.00 N ATOM 0 H ARG A 68 2.194 -0.058 11.003 1.00 0.00 H new ATOM 0 HA ARG A 68 3.441 -2.171 9.963 1.00 0.00 H new ATOM 0 HB2 ARG A 68 1.378 -1.919 11.638 1.00 0.00 H new ATOM 0 HB3 ARG A 68 0.449 -2.383 10.227 1.00 0.00 H new ATOM 0 HG2 ARG A 68 2.415 -4.261 10.072 1.00 0.00 H new ATOM 0 HG3 ARG A 68 2.443 -3.982 11.802 1.00 0.00 H new ATOM 0 HD2 ARG A 68 0.519 -5.159 12.090 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -0.323 -4.176 10.909 1.00 0.00 H new ATOM 0 HE ARG A 68 1.485 -6.060 9.603 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -1.681 -5.776 11.178 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -2.370 -7.152 10.312 1.00 0.00 H new ATOM 0 HH21 ARG A 68 0.593 -7.840 8.482 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -1.080 -8.324 8.781 1.00 0.00 H new ATOM 935 N ARG A 69 0.923 -1.387 7.955 1.00 0.00 N ATOM 936 CA ARG A 69 0.425 -1.508 6.595 1.00 0.00 C ATOM 937 C ARG A 69 1.436 -0.924 5.606 1.00 0.00 C ATOM 938 O ARG A 69 1.645 -1.477 4.528 1.00 0.00 O ATOM 939 CB ARG A 69 -0.914 -0.783 6.432 1.00 0.00 C ATOM 940 CG ARG A 69 -1.958 -1.701 5.793 1.00 0.00 C ATOM 941 CD ARG A 69 -2.581 -2.633 6.834 1.00 0.00 C ATOM 942 NE ARG A 69 -2.825 -3.965 6.238 1.00 0.00 N ATOM 943 CZ ARG A 69 -3.561 -4.923 6.817 1.00 0.00 C ATOM 944 NH1 ARG A 69 -4.129 -4.703 8.011 1.00 0.00 N ATOM 945 NH2 ARG A 69 -3.730 -6.103 6.203 1.00 0.00 N ATOM 0 H ARG A 69 0.328 -0.844 8.580 1.00 0.00 H new ATOM 0 HA ARG A 69 0.279 -2.568 6.388 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -1.269 -0.444 7.405 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -0.778 0.105 5.815 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -2.738 -1.100 5.325 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -1.493 -2.291 5.003 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -1.918 -2.726 7.694 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -3.518 -2.211 7.198 1.00 0.00 H new ATOM 0 HE ARG A 69 -2.407 -4.166 5.330 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -4.001 -3.806 8.479 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -4.689 -5.433 8.451 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -3.298 -6.272 5.295 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -4.290 -6.832 6.644 1.00 0.00 H new ATOM 956 N LEU A 70 2.038 0.185 6.010 1.00 0.00 N ATOM 957 CA LEU A 70 3.022 0.850 5.173 1.00 0.00 C ATOM 958 C LEU A 70 3.953 -0.198 4.558 1.00 0.00 C ATOM 959 O LEU A 70 4.267 -0.133 3.371 1.00 0.00 O ATOM 960 CB LEU A 70 3.755 1.934 5.965 1.00 0.00 C ATOM 961 CG LEU A 70 5.198 1.615 6.362 1.00 0.00 C ATOM 962 CD1 LEU A 70 6.052 1.317 5.129 1.00 0.00 C ATOM 963 CD2 LEU A 70 5.793 2.738 7.214 1.00 0.00 C ATOM 0 H LEU A 70 1.863 0.640 6.906 1.00 0.00 H new ATOM 0 HA LEU A 70 2.533 1.367 4.348 1.00 0.00 H new ATOM 0 HB2 LEU A 70 3.756 2.850 5.374 1.00 0.00 H new ATOM 0 HB3 LEU A 70 3.187 2.140 6.872 1.00 0.00 H new ATOM 0 HG LEU A 70 5.193 0.714 6.975 1.00 0.00 H new ATOM 0 HD11 LEU A 70 7.073 1.094 5.439 1.00 0.00 H new ATOM 0 HD12 LEU A 70 5.638 0.460 4.598 1.00 0.00 H new ATOM 0 HD13 LEU A 70 6.055 2.185 4.470 1.00 0.00 H new ATOM 0 HD21 LEU A 70 6.819 2.486 7.483 1.00 0.00 H new ATOM 0 HD22 LEU A 70 5.784 3.669 6.647 1.00 0.00 H new ATOM 0 HD23 LEU A 70 5.200 2.860 8.120 1.00 0.00 H new ATOM 974 N GLU A 71 4.367 -1.138 5.394 1.00 0.00 N ATOM 975 CA GLU A 71 5.255 -2.198 4.948 1.00 0.00 C ATOM 976 C GLU A 71 4.452 -3.321 4.289 1.00 0.00 C ATOM 977 O GLU A 71 4.975 -4.052 3.448 1.00 0.00 O ATOM 978 CB GLU A 71 6.098 -2.733 6.108 1.00 0.00 C ATOM 979 CG GLU A 71 7.566 -2.334 5.950 1.00 0.00 C ATOM 980 CD GLU A 71 8.408 -3.519 5.475 1.00 0.00 C ATOM 981 OE1 GLU A 71 8.513 -3.683 4.240 1.00 0.00 O ATOM 982 OE2 GLU A 71 8.929 -4.235 6.358 1.00 0.00 O ATOM 0 H GLU A 71 4.104 -1.188 6.378 1.00 0.00 H new ATOM 0 HA GLU A 71 5.939 -1.784 4.207 1.00 0.00 H new ATOM 0 HB2 GLU A 71 5.712 -2.346 7.051 1.00 0.00 H new ATOM 0 HB3 GLU A 71 6.015 -3.819 6.151 1.00 0.00 H new ATOM 0 HG2 GLU A 71 7.649 -1.515 5.236 1.00 0.00 H new ATOM 0 HG3 GLU A 71 7.951 -1.968 6.901 1.00 0.00 H new ATOM 987 N MET A 72 3.196 -3.424 4.697 1.00 0.00 N ATOM 988 CA MET A 72 2.316 -4.447 4.157 1.00 0.00 C ATOM 989 C MET A 72 2.148 -4.283 2.645 1.00 0.00 C ATOM 990 O MET A 72 2.193 -5.262 1.902 1.00 0.00 O ATOM 991 CB MET A 72 0.948 -4.353 4.836 1.00 0.00 C ATOM 992 CG MET A 72 1.013 -4.870 6.274 1.00 0.00 C ATOM 993 SD MET A 72 1.094 -6.653 6.280 1.00 0.00 S ATOM 994 CE MET A 72 -0.613 -7.043 5.934 1.00 0.00 C ATOM 0 H MET A 72 2.767 -2.816 5.395 1.00 0.00 H new ATOM 0 HA MET A 72 2.762 -5.423 4.350 1.00 0.00 H new ATOM 0 HB2 MET A 72 0.607 -3.318 4.833 1.00 0.00 H new ATOM 0 HB3 MET A 72 0.217 -4.931 4.271 1.00 0.00 H new ATOM 0 HG2 MET A 72 1.886 -4.457 6.778 1.00 0.00 H new ATOM 0 HG3 MET A 72 0.136 -4.536 6.829 1.00 0.00 H new ATOM 0 HE1 MET A 72 -0.766 -8.118 6.025 1.00 0.00 H new ATOM 0 HE2 MET A 72 -1.256 -6.524 6.644 1.00 0.00 H new ATOM 0 HE3 MET A 72 -0.861 -6.726 4.921 1.00 0.00 H new ATOM 1002 N TYR A 73 1.958 -3.038 2.235 1.00 0.00 N ATOM 1003 CA TYR A 73 1.783 -2.733 0.825 1.00 0.00 C ATOM 1004 C TYR A 73 3.078 -2.193 0.216 1.00 0.00 C ATOM 1005 O TYR A 73 3.242 -2.192 -1.004 1.00 0.00 O ATOM 1006 CB TYR A 73 0.710 -1.644 0.758 1.00 0.00 C ATOM 1007 CG TYR A 73 -0.179 -1.722 -0.486 1.00 0.00 C ATOM 1008 CD1 TYR A 73 0.191 -2.520 -1.549 1.00 0.00 C ATOM 1009 CD2 TYR A 73 -1.348 -0.993 -0.543 1.00 0.00 C ATOM 1010 CE1 TYR A 73 -0.645 -2.592 -2.719 1.00 0.00 C ATOM 1011 CE2 TYR A 73 -2.185 -1.065 -1.713 1.00 0.00 C ATOM 1012 CZ TYR A 73 -1.792 -1.861 -2.744 1.00 0.00 C ATOM 1013 OH TYR A 73 -2.581 -1.929 -3.849 1.00 0.00 O ATOM 0 H TYR A 73 1.921 -2.228 2.854 1.00 0.00 H new ATOM 0 HA TYR A 73 1.504 -3.629 0.271 1.00 0.00 H new ATOM 0 HB2 TYR A 73 0.082 -1.712 1.646 1.00 0.00 H new ATOM 0 HB3 TYR A 73 1.195 -0.668 0.785 1.00 0.00 H new ATOM 0 HD1 TYR A 73 1.107 -3.090 -1.503 1.00 0.00 H new ATOM 0 HD2 TYR A 73 -1.636 -0.368 0.289 1.00 0.00 H new ATOM 0 HE1 TYR A 73 -0.368 -3.213 -3.558 1.00 0.00 H new ATOM 0 HE2 TYR A 73 -3.104 -0.500 -1.771 1.00 0.00 H new ATOM 0 HH TYR A 73 -3.138 -2.734 -3.804 1.00 0.00 H new ATOM 1022 N CYS A 74 3.967 -1.748 1.092 1.00 0.00 N ATOM 1023 CA CYS A 74 5.243 -1.207 0.657 1.00 0.00 C ATOM 1024 C CYS A 74 5.435 -1.561 -0.819 1.00 0.00 C ATOM 1025 O CYS A 74 6.486 -2.068 -1.208 1.00 0.00 O ATOM 1026 CB CYS A 74 6.398 -1.716 1.520 1.00 0.00 C ATOM 1027 SG CYS A 74 7.476 -0.407 2.209 1.00 0.00 S ATOM 0 H CYS A 74 3.828 -1.751 2.103 1.00 0.00 H new ATOM 0 HA CYS A 74 5.240 -0.123 0.774 1.00 0.00 H new ATOM 0 HB2 CYS A 74 5.988 -2.300 2.344 1.00 0.00 H new ATOM 0 HB3 CYS A 74 7.009 -2.393 0.922 1.00 0.00 H new ATOM 1031 N ALA A 75 4.404 -1.280 -1.602 1.00 0.00 N ATOM 1032 CA ALA A 75 4.446 -1.561 -3.026 1.00 0.00 C ATOM 1033 C ALA A 75 5.552 -0.726 -3.675 1.00 0.00 C ATOM 1034 O ALA A 75 5.445 0.497 -3.754 1.00 0.00 O ATOM 1035 CB ALA A 75 3.072 -1.289 -3.643 1.00 0.00 C ATOM 0 HA ALA A 75 4.680 -2.611 -3.202 1.00 0.00 H new ATOM 0 HB1 ALA A 75 3.105 -1.500 -4.712 1.00 0.00 H new ATOM 0 HB2 ALA A 75 2.327 -1.929 -3.169 1.00 0.00 H new ATOM 0 HB3 ALA A 75 2.804 -0.244 -3.488 1.00 0.00 H new ATOM 1041 N PRO A 76 6.616 -1.437 -4.134 1.00 0.00 N ATOM 1042 CA PRO A 76 7.740 -0.774 -4.773 1.00 0.00 C ATOM 1043 C PRO A 76 7.381 -0.331 -6.192 1.00 0.00 C ATOM 1044 O PRO A 76 8.209 0.248 -6.894 1.00 0.00 O ATOM 1045 CB PRO A 76 8.869 -1.791 -4.736 1.00 0.00 C ATOM 1046 CG PRO A 76 8.208 -3.140 -4.501 1.00 0.00 C ATOM 1047 CD PRO A 76 6.776 -2.886 -4.056 1.00 0.00 C ATOM 0 HA PRO A 76 8.032 0.144 -4.263 1.00 0.00 H new ATOM 0 HB2 PRO A 76 9.428 -1.788 -5.672 1.00 0.00 H new ATOM 0 HB3 PRO A 76 9.577 -1.559 -3.941 1.00 0.00 H new ATOM 0 HG2 PRO A 76 8.224 -3.737 -5.413 1.00 0.00 H new ATOM 0 HG3 PRO A 76 8.750 -3.703 -3.741 1.00 0.00 H new ATOM 0 HD2 PRO A 76 6.064 -3.399 -4.702 1.00 0.00 H new ATOM 0 HD3 PRO A 76 6.606 -3.249 -3.043 1.00 0.00 H new ATOM 1052 N LEU A 77 6.145 -0.620 -6.572 1.00 0.00 N ATOM 1053 CA LEU A 77 5.666 -0.258 -7.895 1.00 0.00 C ATOM 1054 C LEU A 77 6.281 1.081 -8.308 1.00 0.00 C ATOM 1055 O LEU A 77 6.083 2.093 -7.636 1.00 0.00 O ATOM 1056 CB LEU A 77 4.137 -0.270 -7.934 1.00 0.00 C ATOM 1057 CG LEU A 77 3.495 -1.400 -8.741 1.00 0.00 C ATOM 1058 CD1 LEU A 77 2.454 -2.148 -7.905 1.00 0.00 C ATOM 1059 CD2 LEU A 77 2.906 -0.872 -10.051 1.00 0.00 C ATOM 0 H LEU A 77 5.461 -1.100 -5.987 1.00 0.00 H new ATOM 0 HA LEU A 77 5.986 -0.996 -8.630 1.00 0.00 H new ATOM 0 HB2 LEU A 77 3.768 -0.327 -6.910 1.00 0.00 H new ATOM 0 HB3 LEU A 77 3.796 0.681 -8.344 1.00 0.00 H new ATOM 0 HG LEU A 77 4.273 -2.117 -9.003 1.00 0.00 H new ATOM 0 HD11 LEU A 77 2.013 -2.946 -8.502 1.00 0.00 H new ATOM 0 HD12 LEU A 77 2.934 -2.576 -7.025 1.00 0.00 H new ATOM 0 HD13 LEU A 77 1.673 -1.455 -7.592 1.00 0.00 H new ATOM 0 HD21 LEU A 77 2.456 -1.695 -10.606 1.00 0.00 H new ATOM 0 HD22 LEU A 77 2.145 -0.123 -9.832 1.00 0.00 H new ATOM 0 HD23 LEU A 77 3.697 -0.421 -10.650 1.00 0.00 H new ATOM 1070 N LYS A 78 7.015 1.045 -9.411 1.00 0.00 N ATOM 1071 CA LYS A 78 7.660 2.243 -9.920 1.00 0.00 C ATOM 1072 C LYS A 78 6.613 3.346 -10.093 1.00 0.00 C ATOM 1073 O LYS A 78 5.430 3.061 -10.269 1.00 0.00 O ATOM 1074 CB LYS A 78 8.440 1.930 -11.198 1.00 0.00 C ATOM 1075 CG LYS A 78 8.318 0.450 -11.566 1.00 0.00 C ATOM 1076 CD LYS A 78 9.101 0.135 -12.842 1.00 0.00 C ATOM 1077 CE LYS A 78 8.749 1.120 -13.958 1.00 0.00 C ATOM 1078 NZ LYS A 78 9.341 0.684 -15.242 1.00 0.00 N ATOM 0 H LYS A 78 7.177 0.205 -9.966 1.00 0.00 H new ATOM 0 HA LYS A 78 8.397 2.611 -9.207 1.00 0.00 H new ATOM 0 HB2 LYS A 78 8.065 2.544 -12.017 1.00 0.00 H new ATOM 0 HB3 LYS A 78 9.490 2.189 -11.060 1.00 0.00 H new ATOM 0 HG2 LYS A 78 8.690 -0.164 -10.746 1.00 0.00 H new ATOM 0 HG3 LYS A 78 7.268 0.192 -11.706 1.00 0.00 H new ATOM 0 HD2 LYS A 78 10.171 0.179 -12.637 1.00 0.00 H new ATOM 0 HD3 LYS A 78 8.881 -0.882 -13.167 1.00 0.00 H new ATOM 0 HE2 LYS A 78 7.666 1.194 -14.057 1.00 0.00 H new ATOM 0 HE3 LYS A 78 9.114 2.114 -13.702 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 9.092 1.364 -15.988 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 10.376 0.636 -15.149 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 8.972 -0.255 -15.493 1.00 0.00 H new ATOM 1088 N PRO A 79 7.101 4.615 -10.036 1.00 0.00 N ATOM 1089 CA PRO A 79 6.221 5.762 -10.184 1.00 0.00 C ATOM 1090 C PRO A 79 5.807 5.950 -11.645 1.00 0.00 C ATOM 1091 O PRO A 79 5.936 5.032 -12.454 1.00 0.00 O ATOM 1092 CB PRO A 79 7.012 6.938 -9.634 1.00 0.00 C ATOM 1093 CG PRO A 79 8.467 6.496 -9.629 1.00 0.00 C ATOM 1094 CD PRO A 79 8.496 4.989 -9.828 1.00 0.00 C ATOM 0 HA PRO A 79 5.281 5.644 -9.644 1.00 0.00 H new ATOM 0 HB2 PRO A 79 6.875 7.824 -10.253 1.00 0.00 H new ATOM 0 HB3 PRO A 79 6.679 7.197 -8.629 1.00 0.00 H new ATOM 0 HG2 PRO A 79 9.021 6.997 -10.423 1.00 0.00 H new ATOM 0 HG3 PRO A 79 8.945 6.766 -8.687 1.00 0.00 H new ATOM 0 HD2 PRO A 79 9.111 4.715 -10.685 1.00 0.00 H new ATOM 0 HD3 PRO A 79 8.916 4.483 -8.959 1.00 0.00 H new ATOM 1099 N ALA A 80 5.318 7.145 -11.938 1.00 0.00 N ATOM 1100 CA ALA A 80 4.884 7.465 -13.288 1.00 0.00 C ATOM 1101 C ALA A 80 4.798 8.985 -13.444 1.00 0.00 C ATOM 1102 O ALA A 80 5.385 9.552 -14.364 1.00 0.00 O ATOM 1103 CB ALA A 80 3.549 6.774 -13.573 1.00 0.00 C ATOM 0 H ALA A 80 5.212 7.904 -11.265 1.00 0.00 H new ATOM 0 HA ALA A 80 5.604 7.098 -14.020 1.00 0.00 H new ATOM 0 HB1 ALA A 80 3.224 7.014 -14.585 1.00 0.00 H new ATOM 0 HB2 ALA A 80 3.670 5.695 -13.477 1.00 0.00 H new ATOM 0 HB3 ALA A 80 2.801 7.120 -12.860 1.00 0.00 H new ATOM 1109 N LYS A 81 4.061 9.601 -12.531 1.00 0.00 N ATOM 1110 CA LYS A 81 3.890 11.044 -12.556 1.00 0.00 C ATOM 1111 C LYS A 81 3.009 11.469 -11.379 1.00 0.00 C ATOM 1112 O LYS A 81 2.193 12.380 -11.509 1.00 0.00 O ATOM 1113 CB LYS A 81 3.360 11.497 -13.917 1.00 0.00 C ATOM 1114 CG LYS A 81 3.005 12.985 -13.899 1.00 0.00 C ATOM 1115 CD LYS A 81 3.555 13.695 -15.138 1.00 0.00 C ATOM 1116 CE LYS A 81 4.985 14.185 -14.898 1.00 0.00 C ATOM 1117 NZ LYS A 81 4.983 15.397 -14.051 1.00 0.00 N ATOM 0 H LYS A 81 3.576 9.127 -11.769 1.00 0.00 H new ATOM 0 HA LYS A 81 4.851 11.544 -12.432 1.00 0.00 H new ATOM 0 HB2 LYS A 81 4.110 11.308 -14.685 1.00 0.00 H new ATOM 0 HB3 LYS A 81 2.479 10.912 -14.181 1.00 0.00 H new ATOM 0 HG2 LYS A 81 1.922 13.104 -13.858 1.00 0.00 H new ATOM 0 HG3 LYS A 81 3.411 13.448 -13.000 1.00 0.00 H new ATOM 0 HD2 LYS A 81 3.538 13.015 -15.989 1.00 0.00 H new ATOM 0 HD3 LYS A 81 2.915 14.540 -15.392 1.00 0.00 H new ATOM 0 HE2 LYS A 81 5.569 13.400 -14.418 1.00 0.00 H new ATOM 0 HE3 LYS A 81 5.466 14.402 -15.852 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 5.913 15.860 -14.105 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 4.250 16.054 -14.387 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 4.785 15.131 -13.065 1.00 0.00 H new ATOM 1127 N SER A 82 3.203 10.789 -10.260 1.00 0.00 N ATOM 1128 CA SER A 82 2.437 11.085 -9.061 1.00 0.00 C ATOM 1129 C SER A 82 1.949 12.535 -9.096 1.00 0.00 C ATOM 1130 O SER A 82 0.787 12.795 -9.403 1.00 0.00 O ATOM 1131 CB SER A 82 3.266 10.835 -7.801 1.00 0.00 C ATOM 1132 OG SER A 82 2.559 11.191 -6.616 1.00 0.00 O ATOM 0 H SER A 82 3.880 10.033 -10.157 1.00 0.00 H new ATOM 0 HA SER A 82 1.575 10.418 -9.034 1.00 0.00 H new ATOM 0 HB2 SER A 82 3.545 9.782 -7.754 1.00 0.00 H new ATOM 0 HB3 SER A 82 4.192 11.408 -7.857 1.00 0.00 H new ATOM 0 HG SER A 82 3.122 11.015 -5.834 1.00 0.00 H new ATOM 1137 N ALA A 83 2.863 13.440 -8.780 1.00 0.00 N ATOM 1138 CA ALA A 83 2.541 14.857 -8.772 1.00 0.00 C ATOM 1139 C ALA A 83 1.864 15.230 -10.093 1.00 0.00 C ATOM 1140 O ALA A 83 2.511 15.749 -11.001 1.00 0.00 O ATOM 1141 CB ALA A 83 3.813 15.669 -8.519 1.00 0.00 C ATOM 0 H ALA A 83 3.826 13.220 -8.528 1.00 0.00 H new ATOM 0 HA ALA A 83 1.842 15.087 -7.967 1.00 0.00 H new ATOM 0 HB1 ALA A 83 3.571 16.732 -8.513 1.00 0.00 H new ATOM 0 HB2 ALA A 83 4.238 15.388 -7.555 1.00 0.00 H new ATOM 0 HB3 ALA A 83 4.537 15.466 -9.308 1.00 0.00 H new TER 1147 ALA A 83