USER MOD reduce.3.24.130724 H: found=0, std=0, add=799, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 799 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 78 GLN : amide:sc= -13.4! C(o=-25!,f=-26!) USER MOD Set 1.2: A 126 MET CE :methyl 156:sc= -12! (180deg=-14.6!) USER MOD Set 2.1: A 60 SER OG : rot 65:sc= -0.249! USER MOD Set 2.2: A 62 MET CE :methyl 164:sc= -2.19 (180deg=-2.67) USER MOD Set 3.1: A 57 LYS NZ :NH3+ 175:sc= 0.396 (180deg=-0.105) USER MOD Set 3.2: A 71 TYR OH : rot 30:sc= 0.486 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 32 LYS NZ :NH3+ -171:sc= 0.191 (180deg=0.168) USER MOD Single : A 36 ASN : amide:sc= -0.216 X(o=-0.22,f=-0.22) USER MOD Single : A 39 LYS NZ :NH3+ 141:sc= 0.0939 (180deg=-0.77) USER MOD Single : A 42 HIS : no HE2:sc= -4.44! C(o=-4.4!,f=-6.3!) USER MOD Single : A 45 CYS SG : rot 2:sc= -5.82! USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 HIS : no HE2:sc= -5.44! C(o=-5.4!,f=-9.1!) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 MET CE :methyl -144:sc= -7.18! (180deg=-11.2!) USER MOD Single : A 55 MET CE :methyl -170:sc= -4.38! (180deg=-4.71!) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 ASN : amide:sc= -1.8 K(o=-1.8,f=-0.091) USER MOD Single : A 70 GLN : amide:sc= -4.78! C(o=-4.8!,f=-2.2!) USER MOD Single : A 72 SER OG : rot -99:sc= -2.22! USER MOD Single : A 75 LYS NZ :NH3+ -164:sc= -0.223 (180deg=-0.724) USER MOD Single : A 85 MET CE :methyl 180:sc= -0.0473 (180deg=-0.0473) USER MOD Single : A 86 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 90 MET CE :methyl 150:sc= -3.92! (180deg=-5.22!) USER MOD Single : A 95 GLN : amide:sc= 0.111 K(o=0.11,f=-2!) USER MOD Single : A 104 SER OG : rot -88:sc= -6.47! USER MOD Single : A 106 MET CE :methyl -118:sc=-0.00535 (180deg=-0.0449) USER MOD Single : A 108 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 112 THR OG1 : rot 43:sc= 0.222 USER MOD Single : A 117 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 118 THR OG1 : rot -65:sc= -1.02! USER MOD Single : A 119 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 122 TYR OH : rot 180:sc= 0 USER MOD Single : A 123 HIS : no HE2:sc= -20.1! C(o=-20!,f=-29!) USER MOD Single : A 131 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 28 71.513 -27.302 0.874 1.00 0.00 N ATOM 2 CA GLY A 28 72.934 -27.173 0.441 1.00 0.00 C ATOM 3 C GLY A 28 73.809 -26.853 1.654 1.00 0.00 C ATOM 4 O GLY A 28 74.058 -25.706 1.967 1.00 0.00 O ATOM 0 HA2 GLY A 28 73.268 -28.099 -0.028 1.00 0.00 H new ATOM 0 HA3 GLY A 28 73.028 -26.385 -0.306 1.00 0.00 H new ATOM 10 N SER A 29 74.281 -27.859 2.339 1.00 0.00 N ATOM 11 CA SER A 29 75.140 -27.611 3.533 1.00 0.00 C ATOM 12 C SER A 29 76.517 -28.249 3.332 1.00 0.00 C ATOM 13 O SER A 29 76.636 -29.348 2.828 1.00 0.00 O ATOM 14 CB SER A 29 74.404 -28.276 4.696 1.00 0.00 C ATOM 15 OG SER A 29 73.009 -28.054 4.562 1.00 0.00 O ATOM 0 H SER A 29 74.109 -28.841 2.124 1.00 0.00 H new ATOM 0 HA SER A 29 75.305 -26.548 3.711 1.00 0.00 H new ATOM 0 HB2 SER A 29 74.613 -29.346 4.709 1.00 0.00 H new ATOM 0 HB3 SER A 29 74.758 -27.871 5.644 1.00 0.00 H new ATOM 0 HG SER A 29 72.537 -28.482 5.307 1.00 0.00 H new ATOM 21 N GLY A 30 77.560 -27.568 3.724 1.00 0.00 N ATOM 22 CA GLY A 30 78.927 -28.136 3.555 1.00 0.00 C ATOM 23 C GLY A 30 79.895 -27.025 3.131 1.00 0.00 C ATOM 24 O GLY A 30 79.530 -25.867 3.106 1.00 0.00 O ATOM 0 H GLY A 30 77.524 -26.644 4.154 1.00 0.00 H new ATOM 0 HA2 GLY A 30 79.262 -28.588 4.488 1.00 0.00 H new ATOM 0 HA3 GLY A 30 78.913 -28.927 2.805 1.00 0.00 H new ATOM 28 N PRO A 31 81.105 -27.416 2.809 1.00 0.00 N ATOM 29 CA PRO A 31 82.133 -26.437 2.381 1.00 0.00 C ATOM 30 C PRO A 31 81.691 -25.711 1.107 1.00 0.00 C ATOM 31 O PRO A 31 81.140 -26.306 0.201 1.00 0.00 O ATOM 32 CB PRO A 31 83.352 -27.325 2.112 1.00 0.00 C ATOM 33 CG PRO A 31 82.969 -28.791 2.397 1.00 0.00 C ATOM 34 CD PRO A 31 81.506 -28.842 2.855 1.00 0.00 C ATOM 0 HA PRO A 31 82.323 -25.654 3.115 1.00 0.00 H new ATOM 0 HB2 PRO A 31 83.679 -27.214 1.078 1.00 0.00 H new ATOM 0 HB3 PRO A 31 84.187 -27.023 2.745 1.00 0.00 H new ATOM 0 HG2 PRO A 31 83.105 -29.397 1.501 1.00 0.00 H new ATOM 0 HG3 PRO A 31 83.619 -29.208 3.166 1.00 0.00 H new ATOM 0 HD2 PRO A 31 80.895 -29.457 2.194 1.00 0.00 H new ATOM 0 HD3 PRO A 31 81.409 -29.259 3.858 1.00 0.00 H new ATOM 42 N LYS A 32 81.925 -24.430 1.031 1.00 0.00 N ATOM 43 CA LYS A 32 81.517 -23.669 -0.185 1.00 0.00 C ATOM 44 C LYS A 32 82.714 -23.488 -1.123 1.00 0.00 C ATOM 45 O LYS A 32 82.576 -23.026 -2.239 1.00 0.00 O ATOM 46 CB LYS A 32 81.035 -22.315 0.338 1.00 0.00 C ATOM 47 CG LYS A 32 79.506 -22.310 0.406 1.00 0.00 C ATOM 48 CD LYS A 32 79.060 -22.058 1.848 1.00 0.00 C ATOM 49 CE LYS A 32 77.582 -22.425 1.997 1.00 0.00 C ATOM 50 NZ LYS A 32 77.539 -23.380 3.141 1.00 0.00 N ATOM 0 H LYS A 32 82.381 -23.877 1.757 1.00 0.00 H new ATOM 0 HA LYS A 32 80.744 -24.184 -0.754 1.00 0.00 H new ATOM 0 HB2 LYS A 32 81.454 -22.124 1.326 1.00 0.00 H new ATOM 0 HB3 LYS A 32 81.383 -21.515 -0.316 1.00 0.00 H new ATOM 0 HG2 LYS A 32 79.105 -21.538 -0.250 1.00 0.00 H new ATOM 0 HG3 LYS A 32 79.113 -23.264 0.054 1.00 0.00 H new ATOM 0 HD2 LYS A 32 79.664 -22.650 2.535 1.00 0.00 H new ATOM 0 HD3 LYS A 32 79.214 -21.011 2.110 1.00 0.00 H new ATOM 0 HE2 LYS A 32 76.974 -21.543 2.196 1.00 0.00 H new ATOM 0 HE3 LYS A 32 77.194 -22.881 1.086 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 76.588 -23.795 3.211 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 78.237 -24.136 2.989 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 77.762 -22.876 4.023 1.00 0.00 H new ATOM 64 N GLY A 33 83.888 -23.847 -0.680 1.00 0.00 N ATOM 65 CA GLY A 33 85.091 -23.696 -1.548 1.00 0.00 C ATOM 66 C GLY A 33 85.889 -22.467 -1.105 1.00 0.00 C ATOM 67 O GLY A 33 86.320 -21.670 -1.914 1.00 0.00 O ATOM 0 H GLY A 33 84.066 -24.238 0.245 1.00 0.00 H new ATOM 0 HA2 GLY A 33 85.713 -24.589 -1.484 1.00 0.00 H new ATOM 0 HA3 GLY A 33 84.790 -23.591 -2.590 1.00 0.00 H new ATOM 71 N GLY A 34 86.092 -22.310 0.174 1.00 0.00 N ATOM 72 CA GLY A 34 86.863 -21.134 0.667 1.00 0.00 C ATOM 73 C GLY A 34 86.299 -19.854 0.046 1.00 0.00 C ATOM 74 O GLY A 34 85.254 -19.862 -0.573 1.00 0.00 O ATOM 0 H GLY A 34 85.757 -22.945 0.899 1.00 0.00 H new ATOM 0 HA2 GLY A 34 86.806 -21.079 1.754 1.00 0.00 H new ATOM 0 HA3 GLY A 34 87.916 -21.242 0.408 1.00 0.00 H new ATOM 78 N GLY A 35 86.983 -18.755 0.208 1.00 0.00 N ATOM 79 CA GLY A 35 86.485 -17.475 -0.373 1.00 0.00 C ATOM 80 C GLY A 35 85.982 -16.569 0.753 1.00 0.00 C ATOM 81 O GLY A 35 86.748 -16.082 1.561 1.00 0.00 O ATOM 0 H GLY A 35 87.864 -18.687 0.717 1.00 0.00 H new ATOM 0 HA2 GLY A 35 87.283 -16.979 -0.925 1.00 0.00 H new ATOM 0 HA3 GLY A 35 85.681 -17.673 -1.082 1.00 0.00 H new ATOM 85 N ASN A 36 84.698 -16.339 0.814 1.00 0.00 N ATOM 86 CA ASN A 36 84.146 -15.467 1.891 1.00 0.00 C ATOM 87 C ASN A 36 84.743 -14.060 1.801 1.00 0.00 C ATOM 88 O ASN A 36 84.607 -13.261 2.706 1.00 0.00 O ATOM 89 CB ASN A 36 84.569 -16.139 3.196 1.00 0.00 C ATOM 90 CG ASN A 36 84.254 -17.635 3.128 1.00 0.00 C ATOM 91 OD1 ASN A 36 83.142 -18.021 2.830 1.00 0.00 O ATOM 92 ND2 ASN A 36 85.195 -18.499 3.396 1.00 0.00 N ATOM 0 H ASN A 36 84.008 -16.717 0.165 1.00 0.00 H new ATOM 0 HA ASN A 36 83.064 -15.357 1.814 1.00 0.00 H new ATOM 0 HB2 ASN A 36 85.635 -15.989 3.365 1.00 0.00 H new ATOM 0 HB3 ASN A 36 84.046 -15.685 4.037 1.00 0.00 H new ATOM 0 HD21 ASN A 36 84.996 -19.499 3.355 1.00 0.00 H new ATOM 0 HD22 ASN A 36 86.129 -18.175 3.646 1.00 0.00 H new ATOM 99 N ALA A 37 85.395 -13.748 0.716 1.00 0.00 N ATOM 100 CA ALA A 37 85.993 -12.397 0.564 1.00 0.00 C ATOM 101 C ALA A 37 85.261 -11.642 -0.542 1.00 0.00 C ATOM 102 O ALA A 37 84.752 -12.232 -1.468 1.00 0.00 O ATOM 103 CB ALA A 37 87.451 -12.646 0.179 1.00 0.00 C ATOM 0 H ALA A 37 85.539 -14.376 -0.075 1.00 0.00 H new ATOM 0 HA ALA A 37 85.919 -11.797 1.471 1.00 0.00 H new ATOM 0 HB1 ALA A 37 87.961 -11.692 0.049 1.00 0.00 H new ATOM 0 HB2 ALA A 37 87.943 -13.216 0.967 1.00 0.00 H new ATOM 0 HB3 ALA A 37 87.490 -13.209 -0.754 1.00 0.00 H new ATOM 109 N VAL A 38 85.199 -10.347 -0.437 1.00 0.00 N ATOM 110 CA VAL A 38 84.492 -9.523 -1.463 1.00 0.00 C ATOM 111 C VAL A 38 85.208 -8.171 -1.568 1.00 0.00 C ATOM 112 O VAL A 38 85.788 -7.720 -0.600 1.00 0.00 O ATOM 113 CB VAL A 38 83.060 -9.349 -0.919 1.00 0.00 C ATOM 114 CG1 VAL A 38 82.567 -10.653 -0.282 1.00 0.00 C ATOM 115 CG2 VAL A 38 83.036 -8.251 0.145 1.00 0.00 C ATOM 0 H VAL A 38 85.613 -9.813 0.327 1.00 0.00 H new ATOM 0 HA VAL A 38 84.480 -9.975 -2.455 1.00 0.00 H new ATOM 0 HB VAL A 38 82.411 -9.079 -1.752 1.00 0.00 H new ATOM 0 HG11 VAL A 38 81.555 -10.513 0.097 1.00 0.00 H new ATOM 0 HG12 VAL A 38 82.568 -11.446 -1.030 1.00 0.00 H new ATOM 0 HG13 VAL A 38 83.227 -10.929 0.540 1.00 0.00 H new ATOM 0 HG21 VAL A 38 82.021 -8.134 0.524 1.00 0.00 H new ATOM 0 HG22 VAL A 38 83.701 -8.524 0.965 1.00 0.00 H new ATOM 0 HG23 VAL A 38 83.369 -7.311 -0.295 1.00 0.00 H new ATOM 125 N LYS A 39 85.208 -7.501 -2.698 1.00 0.00 N ATOM 126 CA LYS A 39 85.933 -6.204 -2.716 1.00 0.00 C ATOM 127 C LYS A 39 84.980 -5.090 -2.287 1.00 0.00 C ATOM 128 O LYS A 39 84.292 -4.493 -3.088 1.00 0.00 O ATOM 129 CB LYS A 39 86.355 -6.033 -4.163 1.00 0.00 C ATOM 130 CG LYS A 39 87.641 -5.203 -4.249 1.00 0.00 C ATOM 131 CD LYS A 39 87.472 -3.888 -3.485 1.00 0.00 C ATOM 132 CE LYS A 39 88.838 -3.216 -3.319 1.00 0.00 C ATOM 133 NZ LYS A 39 89.311 -2.956 -4.708 1.00 0.00 N ATOM 0 H LYS A 39 84.758 -7.784 -3.568 1.00 0.00 H new ATOM 0 HA LYS A 39 86.787 -6.172 -2.039 1.00 0.00 H new ATOM 0 HB2 LYS A 39 86.513 -7.010 -4.620 1.00 0.00 H new ATOM 0 HB3 LYS A 39 85.560 -5.543 -4.725 1.00 0.00 H new ATOM 0 HG2 LYS A 39 88.476 -5.768 -3.835 1.00 0.00 H new ATOM 0 HG3 LYS A 39 87.881 -4.998 -5.292 1.00 0.00 H new ATOM 0 HD2 LYS A 39 86.792 -3.227 -4.023 1.00 0.00 H new ATOM 0 HD3 LYS A 39 87.026 -4.077 -2.508 1.00 0.00 H new ATOM 0 HE2 LYS A 39 88.756 -2.290 -2.750 1.00 0.00 H new ATOM 0 HE3 LYS A 39 89.532 -3.861 -2.780 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 89.787 -2.032 -4.745 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 89.979 -3.701 -4.993 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 88.498 -2.953 -5.357 1.00 0.00 H new ATOM 147 N VAL A 40 84.926 -4.824 -1.008 1.00 0.00 N ATOM 148 CA VAL A 40 84.001 -3.772 -0.503 1.00 0.00 C ATOM 149 C VAL A 40 84.721 -2.458 -0.217 1.00 0.00 C ATOM 150 O VAL A 40 85.878 -2.415 0.149 1.00 0.00 O ATOM 151 CB VAL A 40 83.391 -4.311 0.797 1.00 0.00 C ATOM 152 CG1 VAL A 40 82.207 -5.220 0.467 1.00 0.00 C ATOM 153 CG2 VAL A 40 84.437 -5.088 1.599 1.00 0.00 C ATOM 0 H VAL A 40 85.483 -5.291 -0.293 1.00 0.00 H new ATOM 0 HA VAL A 40 83.245 -3.559 -1.259 1.00 0.00 H new ATOM 0 HB VAL A 40 83.048 -3.471 1.400 1.00 0.00 H new ATOM 0 HG11 VAL A 40 81.774 -5.603 1.391 1.00 0.00 H new ATOM 0 HG12 VAL A 40 81.454 -4.652 -0.079 1.00 0.00 H new ATOM 0 HG13 VAL A 40 82.548 -6.054 -0.146 1.00 0.00 H new ATOM 0 HG21 VAL A 40 83.986 -5.463 2.518 1.00 0.00 H new ATOM 0 HG22 VAL A 40 84.802 -5.926 1.005 1.00 0.00 H new ATOM 0 HG23 VAL A 40 85.269 -4.429 1.846 1.00 0.00 H new ATOM 163 N ARG A 41 83.997 -1.395 -0.366 1.00 0.00 N ATOM 164 CA ARG A 41 84.521 -0.033 -0.101 1.00 0.00 C ATOM 165 C ARG A 41 83.387 0.726 0.591 1.00 0.00 C ATOM 166 O ARG A 41 82.235 0.381 0.407 1.00 0.00 O ATOM 167 CB ARG A 41 84.866 0.542 -1.466 1.00 0.00 C ATOM 168 CG ARG A 41 85.885 -0.366 -2.161 1.00 0.00 C ATOM 169 CD ARG A 41 85.207 -1.102 -3.319 1.00 0.00 C ATOM 170 NE ARG A 41 86.056 -0.799 -4.506 1.00 0.00 N ATOM 171 CZ ARG A 41 85.652 -1.133 -5.702 1.00 0.00 C ATOM 172 NH1 ARG A 41 84.419 -1.515 -5.892 1.00 0.00 N ATOM 173 NH2 ARG A 41 86.481 -1.083 -6.708 1.00 0.00 N ATOM 0 H ARG A 41 83.024 -1.414 -0.673 1.00 0.00 H new ATOM 0 HA ARG A 41 85.405 0.012 0.535 1.00 0.00 H new ATOM 0 HB2 ARG A 41 83.966 0.628 -2.074 1.00 0.00 H new ATOM 0 HB3 ARG A 41 85.274 1.547 -1.356 1.00 0.00 H new ATOM 0 HG2 ARG A 41 86.722 0.226 -2.532 1.00 0.00 H new ATOM 0 HG3 ARG A 41 86.293 -1.084 -1.449 1.00 0.00 H new ATOM 0 HD2 ARG A 41 85.156 -2.175 -3.131 1.00 0.00 H new ATOM 0 HD3 ARG A 41 84.184 -0.755 -3.464 1.00 0.00 H new ATOM 0 HE ARG A 41 86.954 -0.330 -4.384 1.00 0.00 H new ATOM 0 HH11 ARG A 41 83.770 -1.553 -5.106 1.00 0.00 H new ATOM 0 HH12 ARG A 41 84.104 -1.776 -6.826 1.00 0.00 H new ATOM 0 HH21 ARG A 41 87.445 -0.783 -6.560 1.00 0.00 H new ATOM 0 HH22 ARG A 41 86.166 -1.344 -7.642 1.00 0.00 H new ATOM 187 N HIS A 42 83.644 1.692 1.432 1.00 0.00 N ATOM 188 CA HIS A 42 82.470 2.308 2.120 1.00 0.00 C ATOM 189 C HIS A 42 82.615 3.802 2.423 1.00 0.00 C ATOM 190 O HIS A 42 83.692 4.318 2.647 1.00 0.00 O ATOM 191 CB HIS A 42 82.342 1.510 3.415 1.00 0.00 C ATOM 192 CG HIS A 42 83.381 1.960 4.402 1.00 0.00 C ATOM 193 ND1 HIS A 42 83.044 2.476 5.643 1.00 0.00 N ATOM 194 CD2 HIS A 42 84.752 1.965 4.353 1.00 0.00 C ATOM 195 CE1 HIS A 42 84.190 2.768 6.285 1.00 0.00 C ATOM 196 NE2 HIS A 42 85.260 2.475 5.544 1.00 0.00 N ATOM 0 H HIS A 42 84.564 2.067 1.665 1.00 0.00 H new ATOM 0 HA HIS A 42 81.592 2.263 1.475 1.00 0.00 H new ATOM 0 HB2 HIS A 42 81.346 1.644 3.837 1.00 0.00 H new ATOM 0 HB3 HIS A 42 82.461 0.446 3.209 1.00 0.00 H new ATOM 0 HD1 HIS A 42 82.100 2.610 6.004 1.00 0.00 H new ATOM 0 HD2 HIS A 42 85.346 1.625 3.518 1.00 0.00 H new ATOM 0 HE1 HIS A 42 84.238 3.188 7.279 1.00 0.00 H new ATOM 204 N ILE A 43 81.492 4.487 2.441 1.00 0.00 N ATOM 205 CA ILE A 43 81.472 5.952 2.738 1.00 0.00 C ATOM 206 C ILE A 43 80.476 6.237 3.885 1.00 0.00 C ATOM 207 O ILE A 43 79.355 5.769 3.855 1.00 0.00 O ATOM 208 CB ILE A 43 80.983 6.595 1.433 1.00 0.00 C ATOM 209 CG1 ILE A 43 82.140 6.689 0.435 1.00 0.00 C ATOM 210 CG2 ILE A 43 80.431 7.997 1.706 1.00 0.00 C ATOM 211 CD1 ILE A 43 81.582 6.680 -0.990 1.00 0.00 C ATOM 0 H ILE A 43 80.574 4.081 2.259 1.00 0.00 H new ATOM 0 HA ILE A 43 82.442 6.337 3.052 1.00 0.00 H new ATOM 0 HB ILE A 43 80.190 5.975 1.015 1.00 0.00 H new ATOM 0 HG12 ILE A 43 82.711 7.601 0.608 1.00 0.00 H new ATOM 0 HG13 ILE A 43 82.825 5.852 0.575 1.00 0.00 H new ATOM 0 HG21 ILE A 43 80.088 8.441 0.772 1.00 0.00 H new ATOM 0 HG22 ILE A 43 79.596 7.930 2.404 1.00 0.00 H new ATOM 0 HG23 ILE A 43 81.215 8.619 2.137 1.00 0.00 H new ATOM 0 HD11 ILE A 43 82.404 6.747 -1.703 1.00 0.00 H new ATOM 0 HD12 ILE A 43 81.030 5.756 -1.159 1.00 0.00 H new ATOM 0 HD13 ILE A 43 80.915 7.531 -1.125 1.00 0.00 H new ATOM 223 N LEU A 44 80.856 6.997 4.894 1.00 0.00 N ATOM 224 CA LEU A 44 79.885 7.279 6.012 1.00 0.00 C ATOM 225 C LEU A 44 79.500 8.746 6.054 1.00 0.00 C ATOM 226 O LEU A 44 80.273 9.620 5.733 1.00 0.00 O ATOM 227 CB LEU A 44 80.593 6.984 7.335 1.00 0.00 C ATOM 228 CG LEU A 44 81.000 5.528 7.455 1.00 0.00 C ATOM 229 CD1 LEU A 44 81.004 5.142 8.937 1.00 0.00 C ATOM 230 CD2 LEU A 44 80.006 4.632 6.724 1.00 0.00 C ATOM 0 H LEU A 44 81.776 7.426 4.992 1.00 0.00 H new ATOM 0 HA LEU A 44 78.996 6.668 5.855 1.00 0.00 H new ATOM 0 HB2 LEU A 44 81.478 7.615 7.420 1.00 0.00 H new ATOM 0 HB3 LEU A 44 79.935 7.245 8.164 1.00 0.00 H new ATOM 0 HG LEU A 44 81.988 5.398 7.014 1.00 0.00 H new ATOM 0 HD11 LEU A 44 81.295 4.097 9.040 1.00 0.00 H new ATOM 0 HD12 LEU A 44 81.714 5.771 9.475 1.00 0.00 H new ATOM 0 HD13 LEU A 44 80.006 5.283 9.353 1.00 0.00 H new ATOM 0 HD21 LEU A 44 80.315 3.591 6.821 1.00 0.00 H new ATOM 0 HD22 LEU A 44 79.014 4.759 7.158 1.00 0.00 H new ATOM 0 HD23 LEU A 44 79.978 4.905 5.669 1.00 0.00 H new ATOM 242 N CYS A 45 78.325 9.017 6.511 1.00 0.00 N ATOM 243 CA CYS A 45 77.896 10.429 6.642 1.00 0.00 C ATOM 244 C CYS A 45 77.321 10.655 8.035 1.00 0.00 C ATOM 245 O CYS A 45 76.144 10.828 8.192 1.00 0.00 O ATOM 246 CB CYS A 45 76.823 10.635 5.582 1.00 0.00 C ATOM 247 SG CYS A 45 77.616 11.055 4.011 1.00 0.00 S ATOM 0 H CYS A 45 77.637 8.323 6.802 1.00 0.00 H new ATOM 0 HA CYS A 45 78.722 11.127 6.507 1.00 0.00 H new ATOM 0 HB2 CYS A 45 76.225 9.730 5.471 1.00 0.00 H new ATOM 0 HB3 CYS A 45 76.143 11.431 5.885 1.00 0.00 H new ATOM 0 HG CYS A 45 78.908 11.033 4.157 1.00 0.00 H new ATOM 253 N GLU A 46 78.146 10.640 9.042 1.00 0.00 N ATOM 254 CA GLU A 46 77.649 10.853 10.444 1.00 0.00 C ATOM 255 C GLU A 46 76.408 11.758 10.482 1.00 0.00 C ATOM 256 O GLU A 46 75.506 11.558 11.272 1.00 0.00 O ATOM 257 CB GLU A 46 78.798 11.551 11.178 1.00 0.00 C ATOM 258 CG GLU A 46 79.574 12.452 10.213 1.00 0.00 C ATOM 259 CD GLU A 46 80.373 13.487 11.009 1.00 0.00 C ATOM 260 OE1 GLU A 46 80.500 13.312 12.210 1.00 0.00 O ATOM 261 OE2 GLU A 46 80.845 14.435 10.404 1.00 0.00 O ATOM 0 H GLU A 46 79.152 10.489 8.962 1.00 0.00 H new ATOM 0 HA GLU A 46 77.362 9.903 10.895 1.00 0.00 H new ATOM 0 HB2 GLU A 46 78.404 12.144 12.004 1.00 0.00 H new ATOM 0 HB3 GLU A 46 79.468 10.808 11.610 1.00 0.00 H new ATOM 0 HG2 GLU A 46 80.246 11.852 9.600 1.00 0.00 H new ATOM 0 HG3 GLU A 46 78.885 12.953 9.534 1.00 0.00 H new ATOM 268 N LYS A 47 76.364 12.759 9.646 1.00 0.00 N ATOM 269 CA LYS A 47 75.192 13.692 9.644 1.00 0.00 C ATOM 270 C LYS A 47 74.116 13.224 8.656 1.00 0.00 C ATOM 271 O LYS A 47 72.986 13.664 8.702 1.00 0.00 O ATOM 272 CB LYS A 47 75.764 15.039 9.202 1.00 0.00 C ATOM 273 CG LYS A 47 77.010 15.368 10.027 1.00 0.00 C ATOM 274 CD LYS A 47 77.598 16.698 9.549 1.00 0.00 C ATOM 275 CE LYS A 47 78.776 17.090 10.443 1.00 0.00 C ATOM 276 NZ LYS A 47 78.277 18.238 11.252 1.00 0.00 N ATOM 0 H LYS A 47 77.089 12.975 8.961 1.00 0.00 H new ATOM 0 HA LYS A 47 74.714 13.741 10.622 1.00 0.00 H new ATOM 0 HB2 LYS A 47 76.016 15.007 8.142 1.00 0.00 H new ATOM 0 HB3 LYS A 47 75.016 15.821 9.328 1.00 0.00 H new ATOM 0 HG2 LYS A 47 76.754 15.430 11.085 1.00 0.00 H new ATOM 0 HG3 LYS A 47 77.749 14.573 9.924 1.00 0.00 H new ATOM 0 HD2 LYS A 47 77.928 16.610 8.514 1.00 0.00 H new ATOM 0 HD3 LYS A 47 76.834 17.475 9.575 1.00 0.00 H new ATOM 0 HE2 LYS A 47 79.081 16.260 11.081 1.00 0.00 H new ATOM 0 HE3 LYS A 47 79.645 17.373 9.850 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 79.029 18.565 11.892 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 78.000 19.015 10.618 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 77.453 17.937 11.811 1.00 0.00 H new ATOM 290 N HIS A 48 74.471 12.348 7.760 1.00 0.00 N ATOM 291 CA HIS A 48 73.496 11.841 6.752 1.00 0.00 C ATOM 292 C HIS A 48 73.021 12.987 5.857 1.00 0.00 C ATOM 293 O HIS A 48 72.110 12.837 5.067 1.00 0.00 O ATOM 294 CB HIS A 48 72.344 11.236 7.560 1.00 0.00 C ATOM 295 CG HIS A 48 72.883 10.126 8.424 1.00 0.00 C ATOM 296 ND1 HIS A 48 74.148 9.595 8.230 1.00 0.00 N ATOM 297 CD2 HIS A 48 72.358 9.454 9.499 1.00 0.00 C ATOM 298 CE1 HIS A 48 74.348 8.651 9.168 1.00 0.00 C ATOM 299 NE2 HIS A 48 73.284 8.523 9.969 1.00 0.00 N ATOM 0 H HIS A 48 75.409 11.955 7.681 1.00 0.00 H new ATOM 0 HA HIS A 48 73.935 11.096 6.088 1.00 0.00 H new ATOM 0 HB2 HIS A 48 71.875 12.001 8.179 1.00 0.00 H new ATOM 0 HB3 HIS A 48 71.575 10.852 6.890 1.00 0.00 H new ATOM 0 HD1 HIS A 48 74.810 9.871 7.505 1.00 0.00 H new ATOM 0 HD2 HIS A 48 71.377 9.621 9.918 1.00 0.00 H new ATOM 0 HE1 HIS A 48 75.253 8.070 9.262 1.00 0.00 H new ATOM 307 N GLY A 49 73.657 14.125 5.954 1.00 0.00 N ATOM 308 CA GLY A 49 73.273 15.273 5.089 1.00 0.00 C ATOM 309 C GLY A 49 73.943 15.080 3.730 1.00 0.00 C ATOM 310 O GLY A 49 73.383 15.385 2.695 1.00 0.00 O ATOM 0 H GLY A 49 74.427 14.307 6.597 1.00 0.00 H new ATOM 0 HA2 GLY A 49 72.190 15.321 4.977 1.00 0.00 H new ATOM 0 HA3 GLY A 49 73.589 16.214 5.540 1.00 0.00 H new ATOM 314 N LYS A 50 75.135 14.546 3.731 1.00 0.00 N ATOM 315 CA LYS A 50 75.851 14.293 2.451 1.00 0.00 C ATOM 316 C LYS A 50 75.620 12.850 2.028 1.00 0.00 C ATOM 317 O LYS A 50 75.823 12.486 0.894 1.00 0.00 O ATOM 318 CB LYS A 50 77.335 14.521 2.751 1.00 0.00 C ATOM 319 CG LYS A 50 77.541 15.906 3.365 1.00 0.00 C ATOM 320 CD LYS A 50 77.291 15.834 4.873 1.00 0.00 C ATOM 321 CE LYS A 50 78.448 16.507 5.617 1.00 0.00 C ATOM 322 NZ LYS A 50 77.908 17.829 6.045 1.00 0.00 N ATOM 0 H LYS A 50 75.645 14.273 4.571 1.00 0.00 H new ATOM 0 HA LYS A 50 75.504 14.943 1.648 1.00 0.00 H new ATOM 0 HB2 LYS A 50 77.698 13.754 3.435 1.00 0.00 H new ATOM 0 HB3 LYS A 50 77.917 14.431 1.834 1.00 0.00 H new ATOM 0 HG2 LYS A 50 78.555 16.256 3.169 1.00 0.00 H new ATOM 0 HG3 LYS A 50 76.862 16.624 2.906 1.00 0.00 H new ATOM 0 HD2 LYS A 50 76.351 16.327 5.120 1.00 0.00 H new ATOM 0 HD3 LYS A 50 77.198 14.794 5.188 1.00 0.00 H new ATOM 0 HE2 LYS A 50 78.766 15.913 6.474 1.00 0.00 H new ATOM 0 HE3 LYS A 50 79.318 16.625 4.971 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 78.642 18.353 6.563 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 77.620 18.374 5.207 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 77.085 17.684 6.664 1.00 0.00 H new ATOM 336 N ILE A 51 75.201 12.020 2.939 1.00 0.00 N ATOM 337 CA ILE A 51 74.966 10.598 2.580 1.00 0.00 C ATOM 338 C ILE A 51 74.212 10.520 1.259 1.00 0.00 C ATOM 339 O ILE A 51 74.429 9.629 0.467 1.00 0.00 O ATOM 340 CB ILE A 51 74.138 10.018 3.725 1.00 0.00 C ATOM 341 CG1 ILE A 51 73.973 8.515 3.516 1.00 0.00 C ATOM 342 CG2 ILE A 51 72.759 10.681 3.760 1.00 0.00 C ATOM 343 CD1 ILE A 51 75.352 7.853 3.516 1.00 0.00 C ATOM 0 H ILE A 51 75.012 12.263 3.911 1.00 0.00 H new ATOM 0 HA ILE A 51 75.894 10.042 2.449 1.00 0.00 H new ATOM 0 HB ILE A 51 74.649 10.206 4.669 1.00 0.00 H new ATOM 0 HG12 ILE A 51 73.353 8.092 4.306 1.00 0.00 H new ATOM 0 HG13 ILE A 51 73.463 8.321 2.572 1.00 0.00 H new ATOM 0 HG21 ILE A 51 72.175 10.262 4.579 1.00 0.00 H new ATOM 0 HG22 ILE A 51 72.875 11.755 3.909 1.00 0.00 H new ATOM 0 HG23 ILE A 51 72.244 10.499 2.817 1.00 0.00 H new ATOM 0 HD11 ILE A 51 75.240 6.779 3.367 1.00 0.00 H new ATOM 0 HD12 ILE A 51 75.956 8.270 2.710 1.00 0.00 H new ATOM 0 HD13 ILE A 51 75.844 8.037 4.471 1.00 0.00 H new ATOM 355 N MET A 52 73.348 11.458 1.003 1.00 0.00 N ATOM 356 CA MET A 52 72.610 11.442 -0.285 1.00 0.00 C ATOM 357 C MET A 52 73.413 12.232 -1.312 1.00 0.00 C ATOM 358 O MET A 52 73.494 11.875 -2.469 1.00 0.00 O ATOM 359 CB MET A 52 71.242 12.075 0.033 1.00 0.00 C ATOM 360 CG MET A 52 70.996 13.321 -0.827 1.00 0.00 C ATOM 361 SD MET A 52 70.607 12.824 -2.521 1.00 0.00 S ATOM 362 CE MET A 52 71.514 14.151 -3.354 1.00 0.00 C ATOM 0 H MET A 52 73.122 12.232 1.628 1.00 0.00 H new ATOM 0 HA MET A 52 72.466 10.448 -0.708 1.00 0.00 H new ATOM 0 HB2 MET A 52 70.451 11.346 -0.143 1.00 0.00 H new ATOM 0 HB3 MET A 52 71.199 12.344 1.088 1.00 0.00 H new ATOM 0 HG2 MET A 52 70.175 13.905 -0.411 1.00 0.00 H new ATOM 0 HG3 MET A 52 71.879 13.961 -0.819 1.00 0.00 H new ATOM 0 HE1 MET A 52 70.970 14.459 -4.247 1.00 0.00 H new ATOM 0 HE2 MET A 52 71.615 15.001 -2.680 1.00 0.00 H new ATOM 0 HE3 MET A 52 72.504 13.793 -3.637 1.00 0.00 H new ATOM 372 N GLU A 53 74.053 13.271 -0.879 1.00 0.00 N ATOM 373 CA GLU A 53 74.903 14.044 -1.806 1.00 0.00 C ATOM 374 C GLU A 53 76.008 13.107 -2.250 1.00 0.00 C ATOM 375 O GLU A 53 76.526 13.192 -3.343 1.00 0.00 O ATOM 376 CB GLU A 53 75.458 15.211 -0.992 1.00 0.00 C ATOM 377 CG GLU A 53 75.227 16.515 -1.754 1.00 0.00 C ATOM 378 CD GLU A 53 75.587 17.701 -0.857 1.00 0.00 C ATOM 379 OE1 GLU A 53 76.350 17.503 0.075 1.00 0.00 O ATOM 380 OE2 GLU A 53 75.094 18.786 -1.116 1.00 0.00 O ATOM 0 H GLU A 53 74.024 13.618 0.080 1.00 0.00 H new ATOM 0 HA GLU A 53 74.381 14.426 -2.683 1.00 0.00 H new ATOM 0 HB2 GLU A 53 74.970 15.254 -0.018 1.00 0.00 H new ATOM 0 HB3 GLU A 53 76.523 15.067 -0.809 1.00 0.00 H new ATOM 0 HG2 GLU A 53 75.834 16.532 -2.659 1.00 0.00 H new ATOM 0 HG3 GLU A 53 74.186 16.586 -2.068 1.00 0.00 H new ATOM 387 N ALA A 54 76.350 12.185 -1.392 1.00 0.00 N ATOM 388 CA ALA A 54 77.401 11.202 -1.739 1.00 0.00 C ATOM 389 C ALA A 54 76.754 10.079 -2.538 1.00 0.00 C ATOM 390 O ALA A 54 77.366 9.472 -3.392 1.00 0.00 O ATOM 391 CB ALA A 54 77.924 10.687 -0.400 1.00 0.00 C ATOM 0 H ALA A 54 75.942 12.074 -0.464 1.00 0.00 H new ATOM 0 HA ALA A 54 78.210 11.621 -2.338 1.00 0.00 H new ATOM 0 HB1 ALA A 54 78.709 9.951 -0.575 1.00 0.00 H new ATOM 0 HB2 ALA A 54 78.328 11.519 0.177 1.00 0.00 H new ATOM 0 HB3 ALA A 54 77.109 10.223 0.155 1.00 0.00 H new ATOM 397 N MET A 55 75.503 9.816 -2.272 1.00 0.00 N ATOM 398 CA MET A 55 74.795 8.742 -3.028 1.00 0.00 C ATOM 399 C MET A 55 74.398 9.276 -4.412 1.00 0.00 C ATOM 400 O MET A 55 74.502 8.588 -5.408 1.00 0.00 O ATOM 401 CB MET A 55 73.574 8.385 -2.154 1.00 0.00 C ATOM 402 CG MET A 55 72.262 8.557 -2.926 1.00 0.00 C ATOM 403 SD MET A 55 70.864 8.308 -1.800 1.00 0.00 S ATOM 404 CE MET A 55 71.556 6.928 -0.853 1.00 0.00 C ATOM 0 H MET A 55 74.942 10.295 -1.568 1.00 0.00 H new ATOM 0 HA MET A 55 75.404 7.856 -3.210 1.00 0.00 H new ATOM 0 HB2 MET A 55 73.662 7.355 -1.808 1.00 0.00 H new ATOM 0 HB3 MET A 55 73.562 9.019 -1.268 1.00 0.00 H new ATOM 0 HG2 MET A 55 72.215 9.552 -3.367 1.00 0.00 H new ATOM 0 HG3 MET A 55 72.214 7.842 -3.747 1.00 0.00 H new ATOM 0 HE1 MET A 55 70.782 6.500 -0.216 1.00 0.00 H new ATOM 0 HE2 MET A 55 71.925 6.165 -1.539 1.00 0.00 H new ATOM 0 HE3 MET A 55 72.378 7.287 -0.234 1.00 0.00 H new ATOM 414 N GLU A 56 73.956 10.504 -4.476 1.00 0.00 N ATOM 415 CA GLU A 56 73.565 11.092 -5.787 1.00 0.00 C ATOM 416 C GLU A 56 74.815 11.368 -6.624 1.00 0.00 C ATOM 417 O GLU A 56 74.980 10.824 -7.698 1.00 0.00 O ATOM 418 CB GLU A 56 72.856 12.395 -5.431 1.00 0.00 C ATOM 419 CG GLU A 56 71.519 12.466 -6.166 1.00 0.00 C ATOM 420 CD GLU A 56 71.344 13.863 -6.766 1.00 0.00 C ATOM 421 OE1 GLU A 56 72.057 14.760 -6.346 1.00 0.00 O ATOM 422 OE2 GLU A 56 70.500 14.012 -7.635 1.00 0.00 O ATOM 0 H GLU A 56 73.849 11.125 -3.674 1.00 0.00 H new ATOM 0 HA GLU A 56 72.928 10.430 -6.374 1.00 0.00 H new ATOM 0 HB2 GLU A 56 72.694 12.451 -4.354 1.00 0.00 H new ATOM 0 HB3 GLU A 56 73.479 13.247 -5.705 1.00 0.00 H new ATOM 0 HG2 GLU A 56 71.483 11.713 -6.953 1.00 0.00 H new ATOM 0 HG3 GLU A 56 70.701 12.248 -5.479 1.00 0.00 H new ATOM 429 N LYS A 57 75.701 12.199 -6.137 1.00 0.00 N ATOM 430 CA LYS A 57 76.947 12.491 -6.901 1.00 0.00 C ATOM 431 C LYS A 57 77.489 11.185 -7.480 1.00 0.00 C ATOM 432 O LYS A 57 77.508 10.991 -8.679 1.00 0.00 O ATOM 433 CB LYS A 57 77.910 13.085 -5.877 1.00 0.00 C ATOM 434 CG LYS A 57 77.541 14.552 -5.645 1.00 0.00 C ATOM 435 CD LYS A 57 78.806 15.358 -5.364 1.00 0.00 C ATOM 436 CE LYS A 57 78.515 16.845 -5.571 1.00 0.00 C ATOM 437 NZ LYS A 57 78.336 17.396 -4.197 1.00 0.00 N ATOM 0 H LYS A 57 75.614 12.686 -5.245 1.00 0.00 H new ATOM 0 HA LYS A 57 76.792 13.176 -7.734 1.00 0.00 H new ATOM 0 HB2 LYS A 57 77.855 12.530 -4.941 1.00 0.00 H new ATOM 0 HB3 LYS A 57 78.937 13.006 -6.235 1.00 0.00 H new ATOM 0 HG2 LYS A 57 77.029 14.952 -6.520 1.00 0.00 H new ATOM 0 HG3 LYS A 57 76.850 14.636 -4.806 1.00 0.00 H new ATOM 0 HD2 LYS A 57 79.145 15.181 -4.343 1.00 0.00 H new ATOM 0 HD3 LYS A 57 79.610 15.037 -6.027 1.00 0.00 H new ATOM 0 HE2 LYS A 57 79.335 17.339 -6.091 1.00 0.00 H new ATOM 0 HE3 LYS A 57 77.620 16.992 -6.175 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 78.217 18.428 -4.250 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 77.493 16.972 -3.760 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 79.173 17.173 -3.622 1.00 0.00 H new ATOM 451 N LEU A 58 77.904 10.282 -6.629 1.00 0.00 N ATOM 452 CA LEU A 58 78.414 8.966 -7.111 1.00 0.00 C ATOM 453 C LEU A 58 77.606 8.494 -8.323 1.00 0.00 C ATOM 454 O LEU A 58 78.151 8.047 -9.312 1.00 0.00 O ATOM 455 CB LEU A 58 78.178 8.020 -5.936 1.00 0.00 C ATOM 456 CG LEU A 58 79.501 7.727 -5.238 1.00 0.00 C ATOM 457 CD1 LEU A 58 79.709 8.717 -4.092 1.00 0.00 C ATOM 458 CD2 LEU A 58 79.470 6.301 -4.683 1.00 0.00 C ATOM 0 H LEU A 58 77.911 10.402 -5.616 1.00 0.00 H new ATOM 0 HA LEU A 58 79.459 9.012 -7.418 1.00 0.00 H new ATOM 0 HB2 LEU A 58 77.476 8.467 -5.232 1.00 0.00 H new ATOM 0 HB3 LEU A 58 77.729 7.092 -6.289 1.00 0.00 H new ATOM 0 HG LEU A 58 80.320 7.827 -5.950 1.00 0.00 H new ATOM 0 HD11 LEU A 58 80.656 8.505 -3.595 1.00 0.00 H new ATOM 0 HD12 LEU A 58 79.726 9.733 -4.487 1.00 0.00 H new ATOM 0 HD13 LEU A 58 78.893 8.620 -3.375 1.00 0.00 H new ATOM 0 HD21 LEU A 58 80.414 6.085 -4.182 1.00 0.00 H new ATOM 0 HD22 LEU A 58 78.651 6.206 -3.970 1.00 0.00 H new ATOM 0 HD23 LEU A 58 79.323 5.595 -5.501 1.00 0.00 H new ATOM 470 N LYS A 59 76.305 8.586 -8.247 1.00 0.00 N ATOM 471 CA LYS A 59 75.453 8.138 -9.387 1.00 0.00 C ATOM 472 C LYS A 59 75.536 9.137 -10.543 1.00 0.00 C ATOM 473 O LYS A 59 76.149 8.872 -11.557 1.00 0.00 O ATOM 474 CB LYS A 59 74.034 8.094 -8.823 1.00 0.00 C ATOM 475 CG LYS A 59 73.511 6.660 -8.887 1.00 0.00 C ATOM 476 CD LYS A 59 71.984 6.670 -8.793 1.00 0.00 C ATOM 477 CE LYS A 59 71.560 7.281 -7.457 1.00 0.00 C ATOM 478 NZ LYS A 59 70.099 7.537 -7.603 1.00 0.00 N ATOM 0 H LYS A 59 75.795 8.953 -7.443 1.00 0.00 H new ATOM 0 HA LYS A 59 75.770 7.173 -9.782 1.00 0.00 H new ATOM 0 HB2 LYS A 59 74.028 8.450 -7.793 1.00 0.00 H new ATOM 0 HB3 LYS A 59 73.383 8.757 -9.393 1.00 0.00 H new ATOM 0 HG2 LYS A 59 73.826 6.188 -9.818 1.00 0.00 H new ATOM 0 HG3 LYS A 59 73.932 6.071 -8.072 1.00 0.00 H new ATOM 0 HD2 LYS A 59 71.562 7.244 -9.618 1.00 0.00 H new ATOM 0 HD3 LYS A 59 71.597 5.655 -8.880 1.00 0.00 H new ATOM 0 HE2 LYS A 59 71.762 6.601 -6.629 1.00 0.00 H new ATOM 0 HE3 LYS A 59 72.105 8.203 -7.253 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 69.731 7.957 -6.726 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 69.939 8.192 -8.395 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 69.606 6.640 -7.790 1.00 0.00 H new ATOM 492 N SER A 60 74.912 10.277 -10.395 1.00 0.00 N ATOM 493 CA SER A 60 74.941 11.301 -11.482 1.00 0.00 C ATOM 494 C SER A 60 76.313 11.323 -12.158 1.00 0.00 C ATOM 495 O SER A 60 76.429 11.554 -13.345 1.00 0.00 O ATOM 496 CB SER A 60 74.666 12.637 -10.786 1.00 0.00 C ATOM 497 OG SER A 60 74.526 12.429 -9.387 1.00 0.00 O ATOM 0 H SER A 60 74.382 10.544 -9.565 1.00 0.00 H new ATOM 0 HA SER A 60 74.208 11.089 -12.260 1.00 0.00 H new ATOM 0 HB2 SER A 60 75.482 13.334 -10.980 1.00 0.00 H new ATOM 0 HB3 SER A 60 73.759 13.088 -11.189 1.00 0.00 H new ATOM 0 HG SER A 60 75.376 12.110 -9.017 1.00 0.00 H new ATOM 503 N GLY A 61 77.352 11.078 -11.410 1.00 0.00 N ATOM 504 CA GLY A 61 78.714 11.079 -12.007 1.00 0.00 C ATOM 505 C GLY A 61 79.489 12.299 -11.509 1.00 0.00 C ATOM 506 O GLY A 61 80.342 12.823 -12.196 1.00 0.00 O ATOM 0 H GLY A 61 77.316 10.877 -10.411 1.00 0.00 H new ATOM 0 HA2 GLY A 61 79.242 10.165 -11.736 1.00 0.00 H new ATOM 0 HA3 GLY A 61 78.646 11.098 -13.095 1.00 0.00 H new ATOM 510 N MET A 62 79.207 12.754 -10.318 1.00 0.00 N ATOM 511 CA MET A 62 79.942 13.933 -9.789 1.00 0.00 C ATOM 512 C MET A 62 81.289 13.482 -9.229 1.00 0.00 C ATOM 513 O MET A 62 81.906 12.571 -9.741 1.00 0.00 O ATOM 514 CB MET A 62 79.050 14.495 -8.681 1.00 0.00 C ATOM 515 CG MET A 62 78.949 16.015 -8.834 1.00 0.00 C ATOM 516 SD MET A 62 77.585 16.419 -9.954 1.00 0.00 S ATOM 517 CE MET A 62 76.236 15.984 -8.830 1.00 0.00 C ATOM 0 H MET A 62 78.503 12.361 -9.693 1.00 0.00 H new ATOM 0 HA MET A 62 80.145 14.683 -10.554 1.00 0.00 H new ATOM 0 HB2 MET A 62 78.058 14.046 -8.734 1.00 0.00 H new ATOM 0 HB3 MET A 62 79.462 14.243 -7.704 1.00 0.00 H new ATOM 0 HG2 MET A 62 78.785 16.479 -7.861 1.00 0.00 H new ATOM 0 HG3 MET A 62 79.885 16.415 -9.224 1.00 0.00 H new ATOM 0 HE1 MET A 62 75.304 16.413 -9.197 1.00 0.00 H new ATOM 0 HE2 MET A 62 76.140 14.899 -8.779 1.00 0.00 H new ATOM 0 HE3 MET A 62 76.450 16.377 -7.836 1.00 0.00 H new ATOM 527 N ARG A 63 81.754 14.105 -8.187 1.00 0.00 N ATOM 528 CA ARG A 63 83.064 13.696 -7.614 1.00 0.00 C ATOM 529 C ARG A 63 82.967 12.322 -6.970 1.00 0.00 C ATOM 530 O ARG A 63 82.224 12.118 -6.035 1.00 0.00 O ATOM 531 CB ARG A 63 83.381 14.714 -6.536 1.00 0.00 C ATOM 532 CG ARG A 63 83.679 16.061 -7.173 1.00 0.00 C ATOM 533 CD ARG A 63 82.845 17.132 -6.465 1.00 0.00 C ATOM 534 NE ARG A 63 83.798 18.251 -6.215 1.00 0.00 N ATOM 535 CZ ARG A 63 83.980 19.167 -7.125 1.00 0.00 C ATOM 536 NH1 ARG A 63 82.967 19.863 -7.562 1.00 0.00 N ATOM 537 NH2 ARG A 63 85.177 19.386 -7.598 1.00 0.00 N ATOM 0 H ARG A 63 81.288 14.876 -7.708 1.00 0.00 H new ATOM 0 HA ARG A 63 83.827 13.652 -8.391 1.00 0.00 H new ATOM 0 HB2 ARG A 63 82.539 14.804 -5.849 1.00 0.00 H new ATOM 0 HB3 ARG A 63 84.237 14.381 -5.949 1.00 0.00 H new ATOM 0 HG2 ARG A 63 84.741 16.292 -7.090 1.00 0.00 H new ATOM 0 HG3 ARG A 63 83.440 16.038 -8.236 1.00 0.00 H new ATOM 0 HD2 ARG A 63 82.008 17.456 -7.084 1.00 0.00 H new ATOM 0 HD3 ARG A 63 82.425 16.754 -5.533 1.00 0.00 H new ATOM 0 HE ARG A 63 84.307 18.300 -5.333 1.00 0.00 H new ATOM 0 HH11 ARG A 63 82.032 19.691 -7.192 1.00 0.00 H new ATOM 0 HH12 ARG A 63 83.110 20.579 -8.274 1.00 0.00 H new ATOM 0 HH21 ARG A 63 85.968 18.841 -7.256 1.00 0.00 H new ATOM 0 HH22 ARG A 63 85.321 20.102 -8.310 1.00 0.00 H new ATOM 551 N PHE A 64 83.735 11.390 -7.438 1.00 0.00 N ATOM 552 CA PHE A 64 83.714 10.044 -6.821 1.00 0.00 C ATOM 553 C PHE A 64 84.759 9.995 -5.709 1.00 0.00 C ATOM 554 O PHE A 64 84.607 9.302 -4.723 1.00 0.00 O ATOM 555 CB PHE A 64 84.090 9.079 -7.947 1.00 0.00 C ATOM 556 CG PHE A 64 82.857 8.701 -8.731 1.00 0.00 C ATOM 557 CD1 PHE A 64 81.834 7.967 -8.120 1.00 0.00 C ATOM 558 CD2 PHE A 64 82.741 9.082 -10.073 1.00 0.00 C ATOM 559 CE1 PHE A 64 80.693 7.613 -8.852 1.00 0.00 C ATOM 560 CE2 PHE A 64 81.601 8.727 -10.805 1.00 0.00 C ATOM 561 CZ PHE A 64 80.578 7.995 -10.195 1.00 0.00 C ATOM 0 H PHE A 64 84.378 11.501 -8.222 1.00 0.00 H new ATOM 0 HA PHE A 64 82.747 9.792 -6.386 1.00 0.00 H new ATOM 0 HB2 PHE A 64 84.823 9.544 -8.607 1.00 0.00 H new ATOM 0 HB3 PHE A 64 84.556 8.185 -7.532 1.00 0.00 H new ATOM 0 HD1 PHE A 64 81.924 7.674 -7.085 1.00 0.00 H new ATOM 0 HD2 PHE A 64 83.530 9.649 -10.544 1.00 0.00 H new ATOM 0 HE1 PHE A 64 79.903 7.046 -8.382 1.00 0.00 H new ATOM 0 HE2 PHE A 64 81.512 9.019 -11.841 1.00 0.00 H new ATOM 0 HZ PHE A 64 79.698 7.724 -10.760 1.00 0.00 H new ATOM 571 N ASN A 65 85.832 10.728 -5.870 1.00 0.00 N ATOM 572 CA ASN A 65 86.901 10.722 -4.831 1.00 0.00 C ATOM 573 C ASN A 65 86.674 11.819 -3.798 1.00 0.00 C ATOM 574 O ASN A 65 86.909 11.630 -2.622 1.00 0.00 O ATOM 575 CB ASN A 65 88.207 10.956 -5.589 1.00 0.00 C ATOM 576 CG ASN A 65 89.372 10.972 -4.596 1.00 0.00 C ATOM 577 OD1 ASN A 65 90.379 11.607 -4.833 1.00 0.00 O ATOM 578 ND2 ASN A 65 89.275 10.294 -3.483 1.00 0.00 N ATOM 0 H ASN A 65 86.012 11.328 -6.675 1.00 0.00 H new ATOM 0 HA ASN A 65 86.913 9.782 -4.279 1.00 0.00 H new ATOM 0 HB2 ASN A 65 88.356 10.171 -6.330 1.00 0.00 H new ATOM 0 HB3 ASN A 65 88.162 11.901 -6.130 1.00 0.00 H new ATOM 0 HD21 ASN A 65 90.045 10.299 -2.814 1.00 0.00 H new ATOM 0 HD22 ASN A 65 88.429 9.760 -3.283 1.00 0.00 H new ATOM 585 N GLU A 66 86.231 12.969 -4.221 1.00 0.00 N ATOM 586 CA GLU A 66 86.008 14.067 -3.247 1.00 0.00 C ATOM 587 C GLU A 66 84.843 13.687 -2.341 1.00 0.00 C ATOM 588 O GLU A 66 84.904 13.848 -1.139 1.00 0.00 O ATOM 589 CB GLU A 66 85.728 15.318 -4.102 1.00 0.00 C ATOM 590 CG GLU A 66 84.287 15.807 -3.926 1.00 0.00 C ATOM 591 CD GLU A 66 84.095 16.362 -2.511 1.00 0.00 C ATOM 592 OE1 GLU A 66 84.939 17.128 -2.078 1.00 0.00 O ATOM 593 OE2 GLU A 66 83.106 16.012 -1.887 1.00 0.00 O ATOM 0 H GLU A 66 86.016 13.193 -5.192 1.00 0.00 H new ATOM 0 HA GLU A 66 86.857 14.256 -2.590 1.00 0.00 H new ATOM 0 HB2 GLU A 66 86.420 16.113 -3.823 1.00 0.00 H new ATOM 0 HB3 GLU A 66 85.910 15.091 -5.152 1.00 0.00 H new ATOM 0 HG2 GLU A 66 84.063 16.579 -4.662 1.00 0.00 H new ATOM 0 HG3 GLU A 66 83.591 14.987 -4.102 1.00 0.00 H new ATOM 600 N VAL A 67 83.790 13.153 -2.895 1.00 0.00 N ATOM 601 CA VAL A 67 82.670 12.745 -2.031 1.00 0.00 C ATOM 602 C VAL A 67 83.166 11.604 -1.142 1.00 0.00 C ATOM 603 O VAL A 67 83.081 11.657 0.066 1.00 0.00 O ATOM 604 CB VAL A 67 81.556 12.261 -2.962 1.00 0.00 C ATOM 605 CG1 VAL A 67 81.177 13.361 -3.941 1.00 0.00 C ATOM 606 CG2 VAL A 67 82.023 11.047 -3.740 1.00 0.00 C ATOM 0 H VAL A 67 83.665 12.987 -3.894 1.00 0.00 H new ATOM 0 HA VAL A 67 82.302 13.553 -1.399 1.00 0.00 H new ATOM 0 HB VAL A 67 80.688 11.998 -2.357 1.00 0.00 H new ATOM 0 HG11 VAL A 67 80.384 13.005 -4.598 1.00 0.00 H new ATOM 0 HG12 VAL A 67 80.828 14.234 -3.390 1.00 0.00 H new ATOM 0 HG13 VAL A 67 82.048 13.633 -4.538 1.00 0.00 H new ATOM 0 HG21 VAL A 67 81.224 10.709 -4.400 1.00 0.00 H new ATOM 0 HG22 VAL A 67 82.898 11.310 -4.334 1.00 0.00 H new ATOM 0 HG23 VAL A 67 82.283 10.248 -3.046 1.00 0.00 H new ATOM 616 N ALA A 68 83.748 10.589 -1.727 1.00 0.00 N ATOM 617 CA ALA A 68 84.276 9.491 -0.896 1.00 0.00 C ATOM 618 C ALA A 68 85.252 10.110 0.074 1.00 0.00 C ATOM 619 O ALA A 68 85.302 9.777 1.235 1.00 0.00 O ATOM 620 CB ALA A 68 84.984 8.545 -1.864 1.00 0.00 C ATOM 0 H ALA A 68 83.875 10.482 -2.733 1.00 0.00 H new ATOM 0 HA ALA A 68 83.515 8.949 -0.335 1.00 0.00 H new ATOM 0 HB1 ALA A 68 85.401 7.704 -1.311 1.00 0.00 H new ATOM 0 HB2 ALA A 68 84.270 8.177 -2.601 1.00 0.00 H new ATOM 0 HB3 ALA A 68 85.787 9.079 -2.372 1.00 0.00 H new ATOM 626 N ALA A 69 86.013 11.044 -0.394 1.00 0.00 N ATOM 627 CA ALA A 69 86.965 11.707 0.506 1.00 0.00 C ATOM 628 C ALA A 69 86.237 12.124 1.778 1.00 0.00 C ATOM 629 O ALA A 69 86.358 11.481 2.801 1.00 0.00 O ATOM 630 CB ALA A 69 87.474 12.930 -0.258 1.00 0.00 C ATOM 0 H ALA A 69 86.015 11.374 -1.359 1.00 0.00 H new ATOM 0 HA ALA A 69 87.792 11.059 0.796 1.00 0.00 H new ATOM 0 HB1 ALA A 69 88.191 13.472 0.359 1.00 0.00 H new ATOM 0 HB2 ALA A 69 87.959 12.608 -1.179 1.00 0.00 H new ATOM 0 HB3 ALA A 69 86.636 13.584 -0.499 1.00 0.00 H new ATOM 636 N GLN A 70 85.489 13.198 1.748 1.00 0.00 N ATOM 637 CA GLN A 70 84.800 13.596 3.009 1.00 0.00 C ATOM 638 C GLN A 70 83.402 13.031 3.172 1.00 0.00 C ATOM 639 O GLN A 70 83.062 12.568 4.242 1.00 0.00 O ATOM 640 CB GLN A 70 84.718 15.114 3.070 1.00 0.00 C ATOM 641 CG GLN A 70 85.778 15.658 4.048 1.00 0.00 C ATOM 642 CD GLN A 70 85.928 14.739 5.292 1.00 0.00 C ATOM 643 OE1 GLN A 70 86.962 14.748 5.929 1.00 0.00 O ATOM 644 NE2 GLN A 70 84.940 13.943 5.670 1.00 0.00 N ATOM 0 H GLN A 70 85.330 13.796 0.937 1.00 0.00 H new ATOM 0 HA GLN A 70 85.397 13.180 3.820 1.00 0.00 H new ATOM 0 HB2 GLN A 70 84.876 15.536 2.077 1.00 0.00 H new ATOM 0 HB3 GLN A 70 83.723 15.420 3.392 1.00 0.00 H new ATOM 0 HG2 GLN A 70 86.737 15.741 3.537 1.00 0.00 H new ATOM 0 HG3 GLN A 70 85.499 16.662 4.367 1.00 0.00 H new ATOM 0 HE21 GLN A 70 84.067 13.927 5.142 1.00 0.00 H new ATOM 0 HE22 GLN A 70 85.052 13.345 6.489 1.00 0.00 H new ATOM 653 N TYR A 71 82.557 13.134 2.168 1.00 0.00 N ATOM 654 CA TYR A 71 81.152 12.651 2.347 1.00 0.00 C ATOM 655 C TYR A 71 81.192 11.381 3.188 1.00 0.00 C ATOM 656 O TYR A 71 80.333 11.131 4.003 1.00 0.00 O ATOM 657 CB TYR A 71 80.571 12.431 0.950 1.00 0.00 C ATOM 658 CG TYR A 71 80.398 13.768 0.245 1.00 0.00 C ATOM 659 CD1 TYR A 71 81.034 14.941 0.719 1.00 0.00 C ATOM 660 CD2 TYR A 71 79.588 13.834 -0.895 1.00 0.00 C ATOM 661 CE1 TYR A 71 80.848 16.154 0.044 1.00 0.00 C ATOM 662 CE2 TYR A 71 79.407 15.050 -1.563 1.00 0.00 C ATOM 663 CZ TYR A 71 80.036 16.209 -1.094 1.00 0.00 C ATOM 664 OH TYR A 71 79.855 17.406 -1.755 1.00 0.00 O ATOM 0 H TYR A 71 82.776 13.524 1.251 1.00 0.00 H new ATOM 0 HA TYR A 71 80.515 13.364 2.871 1.00 0.00 H new ATOM 0 HB2 TYR A 71 81.231 11.787 0.369 1.00 0.00 H new ATOM 0 HB3 TYR A 71 79.610 11.921 1.022 1.00 0.00 H new ATOM 0 HD1 TYR A 71 81.660 14.900 1.598 1.00 0.00 H new ATOM 0 HD2 TYR A 71 79.101 12.942 -1.260 1.00 0.00 H new ATOM 0 HE1 TYR A 71 81.333 17.050 0.403 1.00 0.00 H new ATOM 0 HE2 TYR A 71 78.781 15.094 -2.442 1.00 0.00 H new ATOM 0 HH TYR A 71 80.654 17.964 -1.647 1.00 0.00 H new ATOM 674 N SER A 72 82.254 10.637 3.056 1.00 0.00 N ATOM 675 CA SER A 72 82.436 9.441 3.916 1.00 0.00 C ATOM 676 C SER A 72 83.230 9.874 5.155 1.00 0.00 C ATOM 677 O SER A 72 84.422 10.099 5.080 1.00 0.00 O ATOM 678 CB SER A 72 83.264 8.465 3.093 1.00 0.00 C ATOM 679 OG SER A 72 83.840 7.492 3.954 1.00 0.00 O ATOM 0 H SER A 72 83.005 10.808 2.387 1.00 0.00 H new ATOM 0 HA SER A 72 81.493 8.993 4.230 1.00 0.00 H new ATOM 0 HB2 SER A 72 82.637 7.979 2.345 1.00 0.00 H new ATOM 0 HB3 SER A 72 84.047 8.999 2.554 1.00 0.00 H new ATOM 0 HG SER A 72 84.770 7.734 4.145 1.00 0.00 H new ATOM 685 N GLU A 73 82.595 10.016 6.284 1.00 0.00 N ATOM 686 CA GLU A 73 83.337 10.460 7.504 1.00 0.00 C ATOM 687 C GLU A 73 84.312 9.382 7.971 1.00 0.00 C ATOM 688 O GLU A 73 84.286 8.957 9.108 1.00 0.00 O ATOM 689 CB GLU A 73 82.266 10.708 8.561 1.00 0.00 C ATOM 690 CG GLU A 73 82.540 12.055 9.229 1.00 0.00 C ATOM 691 CD GLU A 73 82.645 11.864 10.743 1.00 0.00 C ATOM 692 OE1 GLU A 73 81.943 11.011 11.263 1.00 0.00 O ATOM 693 OE2 GLU A 73 83.425 12.573 11.358 1.00 0.00 O ATOM 0 H GLU A 73 81.598 9.846 6.418 1.00 0.00 H new ATOM 0 HA GLU A 73 83.932 11.353 7.310 1.00 0.00 H new ATOM 0 HB2 GLU A 73 81.276 10.707 8.104 1.00 0.00 H new ATOM 0 HB3 GLU A 73 82.275 9.909 9.303 1.00 0.00 H new ATOM 0 HG2 GLU A 73 83.464 12.483 8.841 1.00 0.00 H new ATOM 0 HG3 GLU A 73 81.740 12.758 8.995 1.00 0.00 H new ATOM 700 N ASP A 74 85.175 8.955 7.091 1.00 0.00 N ATOM 701 CA ASP A 74 86.193 7.903 7.433 1.00 0.00 C ATOM 702 C ASP A 74 86.707 7.244 6.150 1.00 0.00 C ATOM 703 O ASP A 74 86.536 7.764 5.065 1.00 0.00 O ATOM 704 CB ASP A 74 85.473 6.863 8.303 1.00 0.00 C ATOM 705 CG ASP A 74 84.067 6.613 7.759 1.00 0.00 C ATOM 706 OD1 ASP A 74 83.959 6.111 6.652 1.00 0.00 O ATOM 707 OD2 ASP A 74 83.124 6.928 8.462 1.00 0.00 O ATOM 0 H ASP A 74 85.224 9.293 6.130 1.00 0.00 H new ATOM 0 HA ASP A 74 87.046 8.333 7.958 1.00 0.00 H new ATOM 0 HB2 ASP A 74 86.039 5.931 8.315 1.00 0.00 H new ATOM 0 HB3 ASP A 74 85.417 7.214 9.333 1.00 0.00 H new ATOM 712 N LYS A 75 87.333 6.101 6.265 1.00 0.00 N ATOM 713 CA LYS A 75 87.855 5.404 5.053 1.00 0.00 C ATOM 714 C LYS A 75 86.836 5.507 3.910 1.00 0.00 C ATOM 715 O LYS A 75 85.899 4.738 3.824 1.00 0.00 O ATOM 716 CB LYS A 75 88.047 3.951 5.493 1.00 0.00 C ATOM 717 CG LYS A 75 88.515 3.106 4.305 1.00 0.00 C ATOM 718 CD LYS A 75 90.001 3.364 4.054 1.00 0.00 C ATOM 719 CE LYS A 75 90.822 2.187 4.589 1.00 0.00 C ATOM 720 NZ LYS A 75 90.822 2.361 6.069 1.00 0.00 N ATOM 0 H LYS A 75 87.505 5.620 7.148 1.00 0.00 H new ATOM 0 HA LYS A 75 88.783 5.838 4.682 1.00 0.00 H new ATOM 0 HB2 LYS A 75 88.779 3.899 6.299 1.00 0.00 H new ATOM 0 HB3 LYS A 75 87.111 3.554 5.887 1.00 0.00 H new ATOM 0 HG2 LYS A 75 88.347 2.048 4.508 1.00 0.00 H new ATOM 0 HG3 LYS A 75 87.936 3.356 3.416 1.00 0.00 H new ATOM 0 HD2 LYS A 75 90.183 3.493 2.987 1.00 0.00 H new ATOM 0 HD3 LYS A 75 90.308 4.288 4.544 1.00 0.00 H new ATOM 0 HE2 LYS A 75 90.378 1.233 4.303 1.00 0.00 H new ATOM 0 HE3 LYS A 75 91.836 2.199 4.190 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 91.570 1.772 6.488 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 90.997 3.359 6.301 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 89.899 2.073 6.452 1.00 0.00 H new ATOM 734 N ALA A 76 87.015 6.466 3.043 1.00 0.00 N ATOM 735 CA ALA A 76 86.067 6.656 1.905 1.00 0.00 C ATOM 736 C ALA A 76 85.874 5.355 1.115 1.00 0.00 C ATOM 737 O ALA A 76 86.529 4.361 1.362 1.00 0.00 O ATOM 738 CB ALA A 76 86.747 7.701 1.020 1.00 0.00 C ATOM 0 H ALA A 76 87.785 7.134 3.074 1.00 0.00 H new ATOM 0 HA ALA A 76 85.078 6.959 2.249 1.00 0.00 H new ATOM 0 HB1 ALA A 76 86.120 7.907 0.152 1.00 0.00 H new ATOM 0 HB2 ALA A 76 86.893 8.620 1.588 1.00 0.00 H new ATOM 0 HB3 ALA A 76 87.714 7.323 0.688 1.00 0.00 H new ATOM 744 N ARG A 77 85.002 5.369 0.139 1.00 0.00 N ATOM 745 CA ARG A 77 84.794 4.151 -0.699 1.00 0.00 C ATOM 746 C ARG A 77 85.649 4.283 -1.946 1.00 0.00 C ATOM 747 O ARG A 77 86.489 3.459 -2.235 1.00 0.00 O ATOM 748 CB ARG A 77 83.308 4.148 -1.092 1.00 0.00 C ATOM 749 CG ARG A 77 82.966 2.882 -1.910 1.00 0.00 C ATOM 750 CD ARG A 77 83.874 2.760 -3.149 1.00 0.00 C ATOM 751 NE ARG A 77 83.115 1.936 -4.127 1.00 0.00 N ATOM 752 CZ ARG A 77 83.468 1.921 -5.383 1.00 0.00 C ATOM 753 NH1 ARG A 77 84.675 2.283 -5.723 1.00 0.00 N ATOM 754 NH2 ARG A 77 82.620 1.538 -6.296 1.00 0.00 N ATOM 0 H ARG A 77 84.425 6.172 -0.113 1.00 0.00 H new ATOM 0 HA ARG A 77 85.063 3.234 -0.174 1.00 0.00 H new ATOM 0 HB2 ARG A 77 82.689 4.187 -0.196 1.00 0.00 H new ATOM 0 HB3 ARG A 77 83.079 5.039 -1.677 1.00 0.00 H new ATOM 0 HG2 ARG A 77 83.081 1.998 -1.283 1.00 0.00 H new ATOM 0 HG3 ARG A 77 81.922 2.918 -2.222 1.00 0.00 H new ATOM 0 HD2 ARG A 77 84.107 3.742 -3.562 1.00 0.00 H new ATOM 0 HD3 ARG A 77 84.823 2.289 -2.894 1.00 0.00 H new ATOM 0 HE ARG A 77 82.317 1.382 -3.815 1.00 0.00 H new ATOM 0 HH11 ARG A 77 85.340 2.577 -5.007 1.00 0.00 H new ATOM 0 HH12 ARG A 77 84.953 2.272 -6.704 1.00 0.00 H new ATOM 0 HH21 ARG A 77 81.679 1.249 -6.029 1.00 0.00 H new ATOM 0 HH22 ARG A 77 82.898 1.527 -7.277 1.00 0.00 H new ATOM 768 N GLN A 78 85.418 5.310 -2.705 1.00 0.00 N ATOM 769 CA GLN A 78 86.203 5.494 -3.946 1.00 0.00 C ATOM 770 C GLN A 78 87.695 5.575 -3.608 1.00 0.00 C ATOM 771 O GLN A 78 88.376 4.572 -3.524 1.00 0.00 O ATOM 772 CB GLN A 78 85.718 6.817 -4.529 1.00 0.00 C ATOM 773 CG GLN A 78 84.219 6.770 -4.909 1.00 0.00 C ATOM 774 CD GLN A 78 83.752 5.346 -5.199 1.00 0.00 C ATOM 775 OE1 GLN A 78 84.304 4.662 -6.038 1.00 0.00 O ATOM 776 NE2 GLN A 78 82.739 4.875 -4.523 1.00 0.00 N ATOM 0 H GLN A 78 84.719 6.030 -2.519 1.00 0.00 H new ATOM 0 HA GLN A 78 86.073 4.669 -4.647 1.00 0.00 H new ATOM 0 HB2 GLN A 78 85.883 7.614 -3.804 1.00 0.00 H new ATOM 0 HB3 GLN A 78 86.308 7.062 -5.412 1.00 0.00 H new ATOM 0 HG2 GLN A 78 83.625 7.189 -4.097 1.00 0.00 H new ATOM 0 HG3 GLN A 78 84.046 7.395 -5.785 1.00 0.00 H new ATOM 0 HE21 GLN A 78 82.281 5.455 -3.820 1.00 0.00 H new ATOM 0 HE22 GLN A 78 82.406 3.927 -4.698 1.00 0.00 H new ATOM 785 N GLY A 79 88.208 6.761 -3.399 1.00 0.00 N ATOM 786 CA GLY A 79 89.647 6.901 -3.056 1.00 0.00 C ATOM 787 C GLY A 79 89.896 6.256 -1.691 1.00 0.00 C ATOM 788 O GLY A 79 91.021 6.016 -1.301 1.00 0.00 O ATOM 0 H GLY A 79 87.688 7.637 -3.452 1.00 0.00 H new ATOM 0 HA2 GLY A 79 90.264 6.423 -3.817 1.00 0.00 H new ATOM 0 HA3 GLY A 79 89.928 7.954 -3.032 1.00 0.00 H new ATOM 792 N GLY A 80 88.848 5.970 -0.965 1.00 0.00 N ATOM 793 CA GLY A 80 89.014 5.335 0.373 1.00 0.00 C ATOM 794 C GLY A 80 89.040 3.821 0.215 1.00 0.00 C ATOM 795 O GLY A 80 89.677 3.129 0.981 1.00 0.00 O ATOM 0 H GLY A 80 87.883 6.149 -1.242 1.00 0.00 H new ATOM 0 HA2 GLY A 80 89.938 5.679 0.839 1.00 0.00 H new ATOM 0 HA3 GLY A 80 88.196 5.629 1.031 1.00 0.00 H new ATOM 799 N ASP A 81 88.345 3.316 -0.778 1.00 0.00 N ATOM 800 CA ASP A 81 88.293 1.833 -1.016 1.00 0.00 C ATOM 801 C ASP A 81 88.629 1.045 0.260 1.00 0.00 C ATOM 802 O ASP A 81 89.765 0.677 0.481 1.00 0.00 O ATOM 803 CB ASP A 81 89.347 1.578 -2.093 1.00 0.00 C ATOM 804 CG ASP A 81 89.358 0.091 -2.451 1.00 0.00 C ATOM 805 OD1 ASP A 81 89.469 -0.716 -1.542 1.00 0.00 O ATOM 806 OD2 ASP A 81 89.255 -0.215 -3.627 1.00 0.00 O ATOM 0 H ASP A 81 87.806 3.872 -1.441 1.00 0.00 H new ATOM 0 HA ASP A 81 87.297 1.508 -1.316 1.00 0.00 H new ATOM 0 HB2 ASP A 81 89.130 2.175 -2.979 1.00 0.00 H new ATOM 0 HB3 ASP A 81 90.330 1.885 -1.735 1.00 0.00 H new ATOM 811 N LEU A 82 87.665 0.788 1.110 1.00 0.00 N ATOM 812 CA LEU A 82 87.971 0.036 2.361 1.00 0.00 C ATOM 813 C LEU A 82 88.857 -1.186 2.042 1.00 0.00 C ATOM 814 O LEU A 82 89.849 -1.425 2.702 1.00 0.00 O ATOM 815 CB LEU A 82 86.593 -0.343 2.941 1.00 0.00 C ATOM 816 CG LEU A 82 86.425 -1.859 3.037 1.00 0.00 C ATOM 817 CD1 LEU A 82 87.384 -2.406 4.096 1.00 0.00 C ATOM 818 CD2 LEU A 82 84.985 -2.189 3.433 1.00 0.00 C ATOM 0 H LEU A 82 86.690 1.064 0.992 1.00 0.00 H new ATOM 0 HA LEU A 82 88.540 0.615 3.088 1.00 0.00 H new ATOM 0 HB2 LEU A 82 86.479 0.100 3.930 1.00 0.00 H new ATOM 0 HB3 LEU A 82 85.805 0.073 2.312 1.00 0.00 H new ATOM 0 HG LEU A 82 86.647 -2.314 2.072 1.00 0.00 H new ATOM 0 HD11 LEU A 82 87.268 -3.487 4.168 1.00 0.00 H new ATOM 0 HD12 LEU A 82 88.410 -2.169 3.815 1.00 0.00 H new ATOM 0 HD13 LEU A 82 87.158 -1.952 5.061 1.00 0.00 H new ATOM 0 HD21 LEU A 82 84.865 -3.270 3.501 1.00 0.00 H new ATOM 0 HD22 LEU A 82 84.761 -1.737 4.399 1.00 0.00 H new ATOM 0 HD23 LEU A 82 84.301 -1.795 2.681 1.00 0.00 H new ATOM 830 N GLY A 83 88.525 -1.950 1.029 1.00 0.00 N ATOM 831 CA GLY A 83 89.377 -3.129 0.681 1.00 0.00 C ATOM 832 C GLY A 83 88.581 -4.436 0.804 1.00 0.00 C ATOM 833 O GLY A 83 87.445 -4.449 1.235 1.00 0.00 O ATOM 0 H GLY A 83 87.709 -1.810 0.434 1.00 0.00 H new ATOM 0 HA2 GLY A 83 89.754 -3.023 -0.336 1.00 0.00 H new ATOM 0 HA3 GLY A 83 90.244 -3.163 1.340 1.00 0.00 H new ATOM 837 N TRP A 84 89.185 -5.537 0.428 1.00 0.00 N ATOM 838 CA TRP A 84 88.490 -6.860 0.516 1.00 0.00 C ATOM 839 C TRP A 84 87.978 -7.091 1.941 1.00 0.00 C ATOM 840 O TRP A 84 88.415 -6.448 2.874 1.00 0.00 O ATOM 841 CB TRP A 84 89.572 -7.883 0.163 1.00 0.00 C ATOM 842 CG TRP A 84 89.594 -8.111 -1.309 1.00 0.00 C ATOM 843 CD1 TRP A 84 90.407 -7.467 -2.161 1.00 0.00 C ATOM 844 CD2 TRP A 84 88.800 -9.033 -2.111 1.00 0.00 C ATOM 845 NE1 TRP A 84 90.167 -7.923 -3.445 1.00 0.00 N ATOM 846 CE2 TRP A 84 89.183 -8.891 -3.466 1.00 0.00 C ATOM 847 CE3 TRP A 84 87.795 -9.966 -1.800 1.00 0.00 C ATOM 848 CZ2 TRP A 84 88.591 -9.649 -4.478 1.00 0.00 C ATOM 849 CZ3 TRP A 84 87.197 -10.732 -2.817 1.00 0.00 C ATOM 850 CH2 TRP A 84 87.594 -10.572 -4.152 1.00 0.00 C ATOM 0 H TRP A 84 90.136 -5.576 0.061 1.00 0.00 H new ATOM 0 HA TRP A 84 87.626 -6.927 -0.145 1.00 0.00 H new ATOM 0 HB2 TRP A 84 90.546 -7.526 0.499 1.00 0.00 H new ATOM 0 HB3 TRP A 84 89.380 -8.822 0.682 1.00 0.00 H new ATOM 0 HD1 TRP A 84 91.132 -6.714 -1.888 1.00 0.00 H new ATOM 0 HE1 TRP A 84 90.657 -7.586 -4.274 1.00 0.00 H new ATOM 0 HE3 TRP A 84 87.481 -10.095 -0.775 1.00 0.00 H new ATOM 0 HZ2 TRP A 84 88.901 -9.523 -5.505 1.00 0.00 H new ATOM 0 HZ3 TRP A 84 86.427 -11.448 -2.568 1.00 0.00 H new ATOM 0 HH2 TRP A 84 87.129 -11.162 -4.928 1.00 0.00 H new ATOM 861 N MET A 85 87.054 -8.001 2.125 1.00 0.00 N ATOM 862 CA MET A 85 86.537 -8.245 3.503 1.00 0.00 C ATOM 863 C MET A 85 86.084 -9.697 3.663 1.00 0.00 C ATOM 864 O MET A 85 85.486 -10.272 2.778 1.00 0.00 O ATOM 865 CB MET A 85 85.351 -7.292 3.656 1.00 0.00 C ATOM 866 CG MET A 85 85.835 -5.979 4.273 1.00 0.00 C ATOM 867 SD MET A 85 84.607 -5.378 5.459 1.00 0.00 S ATOM 868 CE MET A 85 85.729 -5.175 6.864 1.00 0.00 C ATOM 0 H MET A 85 86.641 -8.577 1.391 1.00 0.00 H new ATOM 0 HA MET A 85 87.301 -8.074 4.261 1.00 0.00 H new ATOM 0 HB2 MET A 85 84.893 -7.104 2.685 1.00 0.00 H new ATOM 0 HB3 MET A 85 84.586 -7.744 4.287 1.00 0.00 H new ATOM 0 HG2 MET A 85 86.793 -6.130 4.771 1.00 0.00 H new ATOM 0 HG3 MET A 85 85.996 -5.236 3.492 1.00 0.00 H new ATOM 0 HE1 MET A 85 85.171 -4.805 7.724 1.00 0.00 H new ATOM 0 HE2 MET A 85 86.181 -6.136 7.110 1.00 0.00 H new ATOM 0 HE3 MET A 85 86.511 -4.462 6.605 1.00 0.00 H new ATOM 878 N THR A 86 86.356 -10.290 4.793 1.00 0.00 N ATOM 879 CA THR A 86 85.930 -11.701 5.013 1.00 0.00 C ATOM 880 C THR A 86 85.310 -11.849 6.405 1.00 0.00 C ATOM 881 O THR A 86 85.862 -11.400 7.389 1.00 0.00 O ATOM 882 CB THR A 86 87.214 -12.524 4.903 1.00 0.00 C ATOM 883 OG1 THR A 86 88.335 -11.677 5.108 1.00 0.00 O ATOM 884 CG2 THR A 86 87.294 -13.158 3.514 1.00 0.00 C ATOM 0 H THR A 86 86.854 -9.859 5.572 1.00 0.00 H new ATOM 0 HA THR A 86 85.178 -12.026 4.294 1.00 0.00 H new ATOM 0 HB THR A 86 87.212 -13.310 5.658 1.00 0.00 H new ATOM 0 HG1 THR A 86 89.159 -12.203 5.040 1.00 0.00 H new ATOM 0 HG21 THR A 86 88.209 -13.745 3.434 1.00 0.00 H new ATOM 0 HG22 THR A 86 86.432 -13.807 3.360 1.00 0.00 H new ATOM 0 HG23 THR A 86 87.298 -12.375 2.756 1.00 0.00 H new ATOM 892 N ARG A 87 84.163 -12.469 6.491 1.00 0.00 N ATOM 893 CA ARG A 87 83.504 -12.639 7.821 1.00 0.00 C ATOM 894 C ARG A 87 84.546 -13.006 8.883 1.00 0.00 C ATOM 895 O ARG A 87 85.624 -13.474 8.575 1.00 0.00 O ATOM 896 CB ARG A 87 82.504 -13.780 7.630 1.00 0.00 C ATOM 897 CG ARG A 87 81.079 -13.247 7.814 1.00 0.00 C ATOM 898 CD ARG A 87 80.114 -14.066 6.954 1.00 0.00 C ATOM 899 NE ARG A 87 79.136 -14.641 7.921 1.00 0.00 N ATOM 900 CZ ARG A 87 78.266 -15.528 7.520 1.00 0.00 C ATOM 901 NH1 ARG A 87 78.632 -16.770 7.351 1.00 0.00 N ATOM 902 NH2 ARG A 87 77.031 -15.175 7.289 1.00 0.00 N ATOM 0 H ARG A 87 83.654 -12.865 5.700 1.00 0.00 H new ATOM 0 HA ARG A 87 83.015 -11.725 8.159 1.00 0.00 H new ATOM 0 HB2 ARG A 87 82.616 -14.213 6.636 1.00 0.00 H new ATOM 0 HB3 ARG A 87 82.702 -14.575 8.349 1.00 0.00 H new ATOM 0 HG2 ARG A 87 80.789 -13.307 8.863 1.00 0.00 H new ATOM 0 HG3 ARG A 87 81.033 -12.195 7.531 1.00 0.00 H new ATOM 0 HD2 ARG A 87 79.616 -13.440 6.213 1.00 0.00 H new ATOM 0 HD3 ARG A 87 80.639 -14.850 6.408 1.00 0.00 H new ATOM 0 HE ARG A 87 79.147 -14.341 8.896 1.00 0.00 H new ATOM 0 HH11 ARG A 87 79.597 -17.047 7.532 1.00 0.00 H new ATOM 0 HH12 ARG A 87 77.953 -17.464 7.038 1.00 0.00 H new ATOM 0 HH21 ARG A 87 76.744 -14.205 7.422 1.00 0.00 H new ATOM 0 HH22 ARG A 87 76.352 -15.869 6.976 1.00 0.00 H new ATOM 916 N GLY A 88 84.234 -12.785 10.130 1.00 0.00 N ATOM 917 CA GLY A 88 85.206 -13.110 11.212 1.00 0.00 C ATOM 918 C GLY A 88 85.636 -11.812 11.898 1.00 0.00 C ATOM 919 O GLY A 88 85.530 -11.667 13.099 1.00 0.00 O ATOM 0 H GLY A 88 83.347 -12.393 10.447 1.00 0.00 H new ATOM 0 HA2 GLY A 88 84.752 -13.786 11.936 1.00 0.00 H new ATOM 0 HA3 GLY A 88 86.074 -13.623 10.798 1.00 0.00 H new ATOM 923 N SER A 89 86.112 -10.861 11.140 1.00 0.00 N ATOM 924 CA SER A 89 86.538 -9.567 11.745 1.00 0.00 C ATOM 925 C SER A 89 85.447 -8.515 11.533 1.00 0.00 C ATOM 926 O SER A 89 85.395 -7.513 12.218 1.00 0.00 O ATOM 927 CB SER A 89 87.815 -9.178 10.999 1.00 0.00 C ATOM 928 OG SER A 89 88.943 -9.480 11.806 1.00 0.00 O ATOM 0 H SER A 89 86.224 -10.925 10.128 1.00 0.00 H new ATOM 0 HA SER A 89 86.708 -9.644 12.819 1.00 0.00 H new ATOM 0 HB2 SER A 89 87.876 -9.717 10.054 1.00 0.00 H new ATOM 0 HB3 SER A 89 87.800 -8.115 10.759 1.00 0.00 H new ATOM 0 HG SER A 89 89.762 -9.233 11.329 1.00 0.00 H new ATOM 934 N MET A 90 84.575 -8.742 10.589 1.00 0.00 N ATOM 935 CA MET A 90 83.481 -7.762 10.329 1.00 0.00 C ATOM 936 C MET A 90 82.572 -7.656 11.557 1.00 0.00 C ATOM 937 O MET A 90 82.971 -7.964 12.663 1.00 0.00 O ATOM 938 CB MET A 90 82.714 -8.338 9.137 1.00 0.00 C ATOM 939 CG MET A 90 82.972 -7.477 7.898 1.00 0.00 C ATOM 940 SD MET A 90 83.395 -8.544 6.498 1.00 0.00 S ATOM 941 CE MET A 90 82.352 -7.730 5.263 1.00 0.00 C ATOM 0 H MET A 90 84.572 -9.564 9.986 1.00 0.00 H new ATOM 0 HA MET A 90 83.857 -6.760 10.124 1.00 0.00 H new ATOM 0 HB2 MET A 90 83.028 -9.365 8.951 1.00 0.00 H new ATOM 0 HB3 MET A 90 81.647 -8.366 9.357 1.00 0.00 H new ATOM 0 HG2 MET A 90 82.088 -6.885 7.663 1.00 0.00 H new ATOM 0 HG3 MET A 90 83.783 -6.775 8.092 1.00 0.00 H new ATOM 0 HE1 MET A 90 82.807 -7.833 4.278 1.00 0.00 H new ATOM 0 HE2 MET A 90 81.365 -8.193 5.258 1.00 0.00 H new ATOM 0 HE3 MET A 90 82.255 -6.672 5.509 1.00 0.00 H new ATOM 951 N VAL A 91 81.354 -7.224 11.375 1.00 0.00 N ATOM 952 CA VAL A 91 80.425 -7.101 12.539 1.00 0.00 C ATOM 953 C VAL A 91 79.149 -7.916 12.293 1.00 0.00 C ATOM 954 O VAL A 91 79.113 -9.108 12.528 1.00 0.00 O ATOM 955 CB VAL A 91 80.102 -5.606 12.656 1.00 0.00 C ATOM 956 CG1 VAL A 91 81.206 -4.910 13.455 1.00 0.00 C ATOM 957 CG2 VAL A 91 80.007 -4.975 11.262 1.00 0.00 C ATOM 0 H VAL A 91 80.961 -6.951 10.474 1.00 0.00 H new ATOM 0 HA VAL A 91 80.872 -7.485 13.456 1.00 0.00 H new ATOM 0 HB VAL A 91 79.146 -5.487 13.165 1.00 0.00 H new ATOM 0 HG11 VAL A 91 80.979 -3.847 13.540 1.00 0.00 H new ATOM 0 HG12 VAL A 91 81.266 -5.349 14.451 1.00 0.00 H new ATOM 0 HG13 VAL A 91 82.160 -5.038 12.944 1.00 0.00 H new ATOM 0 HG21 VAL A 91 79.777 -3.914 11.358 1.00 0.00 H new ATOM 0 HG22 VAL A 91 80.958 -5.095 10.743 1.00 0.00 H new ATOM 0 HG23 VAL A 91 79.218 -5.467 10.693 1.00 0.00 H new ATOM 967 N GLY A 92 78.101 -7.290 11.829 1.00 0.00 N ATOM 968 CA GLY A 92 76.839 -8.040 11.579 1.00 0.00 C ATOM 969 C GLY A 92 76.078 -7.391 10.418 1.00 0.00 C ATOM 970 O GLY A 92 76.027 -7.938 9.333 1.00 0.00 O ATOM 0 H GLY A 92 78.065 -6.294 11.613 1.00 0.00 H new ATOM 0 HA2 GLY A 92 77.063 -9.081 11.344 1.00 0.00 H new ATOM 0 HA3 GLY A 92 76.221 -8.042 12.477 1.00 0.00 H new ATOM 974 N PRO A 93 75.509 -6.240 10.679 1.00 0.00 N ATOM 975 CA PRO A 93 74.744 -5.514 9.638 1.00 0.00 C ATOM 976 C PRO A 93 75.636 -5.215 8.430 1.00 0.00 C ATOM 977 O PRO A 93 75.213 -5.309 7.295 1.00 0.00 O ATOM 978 CB PRO A 93 74.333 -4.225 10.359 1.00 0.00 C ATOM 979 CG PRO A 93 74.876 -4.272 11.802 1.00 0.00 C ATOM 980 CD PRO A 93 75.599 -5.607 12.017 1.00 0.00 C ATOM 0 HA PRO A 93 73.894 -6.073 9.245 1.00 0.00 H new ATOM 0 HB2 PRO A 93 74.729 -3.356 9.834 1.00 0.00 H new ATOM 0 HB3 PRO A 93 73.248 -4.126 10.367 1.00 0.00 H new ATOM 0 HG2 PRO A 93 75.560 -3.441 11.975 1.00 0.00 H new ATOM 0 HG3 PRO A 93 74.059 -4.166 12.516 1.00 0.00 H new ATOM 0 HD2 PRO A 93 76.633 -5.463 12.329 1.00 0.00 H new ATOM 0 HD3 PRO A 93 75.116 -6.211 12.785 1.00 0.00 H new ATOM 988 N PHE A 94 76.868 -4.859 8.667 1.00 0.00 N ATOM 989 CA PHE A 94 77.788 -4.557 7.532 1.00 0.00 C ATOM 990 C PHE A 94 77.940 -5.786 6.631 1.00 0.00 C ATOM 991 O PHE A 94 77.968 -5.681 5.421 1.00 0.00 O ATOM 992 CB PHE A 94 79.122 -4.207 8.191 1.00 0.00 C ATOM 993 CG PHE A 94 79.804 -3.115 7.402 1.00 0.00 C ATOM 994 CD1 PHE A 94 79.186 -1.867 7.252 1.00 0.00 C ATOM 995 CD2 PHE A 94 81.056 -3.349 6.823 1.00 0.00 C ATOM 996 CE1 PHE A 94 79.821 -0.854 6.523 1.00 0.00 C ATOM 997 CE2 PHE A 94 81.692 -2.337 6.093 1.00 0.00 C ATOM 998 CZ PHE A 94 81.075 -1.089 5.943 1.00 0.00 C ATOM 0 H PHE A 94 77.278 -4.764 9.596 1.00 0.00 H new ATOM 0 HA PHE A 94 77.417 -3.748 6.903 1.00 0.00 H new ATOM 0 HB2 PHE A 94 78.957 -3.880 9.218 1.00 0.00 H new ATOM 0 HB3 PHE A 94 79.760 -5.090 8.236 1.00 0.00 H new ATOM 0 HD1 PHE A 94 78.220 -1.686 7.699 1.00 0.00 H new ATOM 0 HD2 PHE A 94 81.533 -4.311 6.939 1.00 0.00 H new ATOM 0 HE1 PHE A 94 79.344 0.108 6.408 1.00 0.00 H new ATOM 0 HE2 PHE A 94 82.658 -2.519 5.646 1.00 0.00 H new ATOM 0 HZ PHE A 94 81.565 -0.308 5.381 1.00 0.00 H new ATOM 1008 N GLN A 95 78.046 -6.952 7.212 1.00 0.00 N ATOM 1009 CA GLN A 95 78.203 -8.185 6.388 1.00 0.00 C ATOM 1010 C GLN A 95 76.834 -8.753 5.998 1.00 0.00 C ATOM 1011 O GLN A 95 76.508 -8.854 4.832 1.00 0.00 O ATOM 1012 CB GLN A 95 78.953 -9.164 7.293 1.00 0.00 C ATOM 1013 CG GLN A 95 78.866 -10.574 6.706 1.00 0.00 C ATOM 1014 CD GLN A 95 78.135 -11.490 7.690 1.00 0.00 C ATOM 1015 OE1 GLN A 95 77.173 -12.140 7.334 1.00 0.00 O ATOM 1016 NE2 GLN A 95 78.555 -11.569 8.924 1.00 0.00 N ATOM 0 H GLN A 95 78.031 -7.103 8.221 1.00 0.00 H new ATOM 0 HA GLN A 95 78.735 -7.993 5.456 1.00 0.00 H new ATOM 0 HB2 GLN A 95 79.996 -8.862 7.387 1.00 0.00 H new ATOM 0 HB3 GLN A 95 78.525 -9.149 8.295 1.00 0.00 H new ATOM 0 HG2 GLN A 95 78.338 -10.551 5.753 1.00 0.00 H new ATOM 0 HG3 GLN A 95 79.866 -10.960 6.507 1.00 0.00 H new ATOM 0 HE21 GLN A 95 79.363 -11.023 9.224 1.00 0.00 H new ATOM 0 HE22 GLN A 95 78.075 -12.176 9.588 1.00 0.00 H new ATOM 1025 N GLU A 96 76.040 -9.137 6.965 1.00 0.00 N ATOM 1026 CA GLU A 96 74.694 -9.716 6.659 1.00 0.00 C ATOM 1027 C GLU A 96 74.054 -9.015 5.453 1.00 0.00 C ATOM 1028 O GLU A 96 73.303 -9.611 4.706 1.00 0.00 O ATOM 1029 CB GLU A 96 73.868 -9.486 7.930 1.00 0.00 C ATOM 1030 CG GLU A 96 73.301 -8.063 7.941 1.00 0.00 C ATOM 1031 CD GLU A 96 72.000 -8.029 7.136 1.00 0.00 C ATOM 1032 OE1 GLU A 96 71.175 -8.902 7.348 1.00 0.00 O ATOM 1033 OE2 GLU A 96 71.852 -7.132 6.324 1.00 0.00 O ATOM 0 H GLU A 96 76.266 -9.075 7.958 1.00 0.00 H new ATOM 0 HA GLU A 96 74.754 -10.772 6.396 1.00 0.00 H new ATOM 0 HB2 GLU A 96 73.055 -10.210 7.980 1.00 0.00 H new ATOM 0 HB3 GLU A 96 74.490 -9.644 8.811 1.00 0.00 H new ATOM 0 HG2 GLU A 96 73.116 -7.741 8.966 1.00 0.00 H new ATOM 0 HG3 GLU A 96 74.024 -7.368 7.514 1.00 0.00 H new ATOM 1040 N ALA A 97 74.345 -7.760 5.259 1.00 0.00 N ATOM 1041 CA ALA A 97 73.751 -7.029 4.103 1.00 0.00 C ATOM 1042 C ALA A 97 74.538 -7.331 2.827 1.00 0.00 C ATOM 1043 O ALA A 97 74.130 -8.128 2.006 1.00 0.00 O ATOM 1044 CB ALA A 97 73.871 -5.550 4.471 1.00 0.00 C ATOM 0 H ALA A 97 74.967 -7.208 5.849 1.00 0.00 H new ATOM 0 HA ALA A 97 72.718 -7.320 3.914 1.00 0.00 H new ATOM 0 HB1 ALA A 97 73.455 -4.941 3.669 1.00 0.00 H new ATOM 0 HB2 ALA A 97 73.323 -5.359 5.394 1.00 0.00 H new ATOM 0 HB3 ALA A 97 74.921 -5.294 4.613 1.00 0.00 H new ATOM 1050 N ALA A 98 75.662 -6.693 2.656 1.00 0.00 N ATOM 1051 CA ALA A 98 76.485 -6.933 1.435 1.00 0.00 C ATOM 1052 C ALA A 98 76.510 -8.425 1.086 1.00 0.00 C ATOM 1053 O ALA A 98 76.433 -8.802 -0.067 1.00 0.00 O ATOM 1054 CB ALA A 98 77.887 -6.445 1.801 1.00 0.00 C ATOM 0 H ALA A 98 76.048 -6.013 3.311 1.00 0.00 H new ATOM 0 HA ALA A 98 76.084 -6.415 0.564 1.00 0.00 H new ATOM 0 HB1 ALA A 98 78.555 -6.588 0.952 1.00 0.00 H new ATOM 0 HB2 ALA A 98 77.848 -5.387 2.058 1.00 0.00 H new ATOM 0 HB3 ALA A 98 78.259 -7.012 2.654 1.00 0.00 H new ATOM 1060 N PHE A 99 76.618 -9.277 2.070 1.00 0.00 N ATOM 1061 CA PHE A 99 76.647 -10.743 1.786 1.00 0.00 C ATOM 1062 C PHE A 99 75.275 -11.216 1.305 1.00 0.00 C ATOM 1063 O PHE A 99 75.118 -11.670 0.190 1.00 0.00 O ATOM 1064 CB PHE A 99 77.002 -11.403 3.120 1.00 0.00 C ATOM 1065 CG PHE A 99 78.426 -11.903 3.072 1.00 0.00 C ATOM 1066 CD1 PHE A 99 79.481 -10.999 2.898 1.00 0.00 C ATOM 1067 CD2 PHE A 99 78.691 -13.271 3.204 1.00 0.00 C ATOM 1068 CE1 PHE A 99 80.800 -11.463 2.857 1.00 0.00 C ATOM 1069 CE2 PHE A 99 80.011 -13.735 3.161 1.00 0.00 C ATOM 1070 CZ PHE A 99 81.066 -12.831 2.988 1.00 0.00 C ATOM 0 H PHE A 99 76.687 -9.023 3.056 1.00 0.00 H new ATOM 0 HA PHE A 99 77.363 -10.995 1.004 1.00 0.00 H new ATOM 0 HB2 PHE A 99 76.884 -10.688 3.934 1.00 0.00 H new ATOM 0 HB3 PHE A 99 76.321 -12.230 3.321 1.00 0.00 H new ATOM 0 HD1 PHE A 99 79.276 -9.944 2.795 1.00 0.00 H new ATOM 0 HD2 PHE A 99 77.877 -13.968 3.339 1.00 0.00 H new ATOM 0 HE1 PHE A 99 81.614 -10.765 2.724 1.00 0.00 H new ATOM 0 HE2 PHE A 99 80.216 -14.791 3.261 1.00 0.00 H new ATOM 0 HZ PHE A 99 82.084 -13.189 2.956 1.00 0.00 H new ATOM 1080 N ALA A 100 74.282 -11.113 2.140 1.00 0.00 N ATOM 1081 CA ALA A 100 72.917 -11.558 1.738 1.00 0.00 C ATOM 1082 C ALA A 100 72.492 -10.852 0.447 1.00 0.00 C ATOM 1083 O ALA A 100 71.815 -11.418 -0.387 1.00 0.00 O ATOM 1084 CB ALA A 100 72.008 -11.153 2.898 1.00 0.00 C ATOM 0 H ALA A 100 74.355 -10.739 3.086 1.00 0.00 H new ATOM 0 HA ALA A 100 72.872 -12.630 1.544 1.00 0.00 H new ATOM 0 HB1 ALA A 100 70.982 -11.448 2.677 1.00 0.00 H new ATOM 0 HB2 ALA A 100 72.339 -11.649 3.810 1.00 0.00 H new ATOM 0 HB3 ALA A 100 72.053 -10.073 3.036 1.00 0.00 H new ATOM 1090 N LEU A 101 72.887 -9.619 0.277 1.00 0.00 N ATOM 1091 CA LEU A 101 72.510 -8.880 -0.961 1.00 0.00 C ATOM 1092 C LEU A 101 73.624 -9.003 -2.006 1.00 0.00 C ATOM 1093 O LEU A 101 74.730 -9.390 -1.685 1.00 0.00 O ATOM 1094 CB LEU A 101 72.351 -7.425 -0.519 1.00 0.00 C ATOM 1095 CG LEU A 101 70.992 -7.244 0.160 1.00 0.00 C ATOM 1096 CD1 LEU A 101 71.123 -6.220 1.290 1.00 0.00 C ATOM 1097 CD2 LEU A 101 69.971 -6.746 -0.865 1.00 0.00 C ATOM 0 H LEU A 101 73.454 -9.092 0.942 1.00 0.00 H new ATOM 0 HA LEU A 101 71.600 -9.270 -1.416 1.00 0.00 H new ATOM 0 HB2 LEU A 101 73.152 -7.153 0.168 1.00 0.00 H new ATOM 0 HB3 LEU A 101 72.431 -6.761 -1.380 1.00 0.00 H new ATOM 0 HG LEU A 101 70.658 -8.198 0.569 1.00 0.00 H new ATOM 0 HD11 LEU A 101 70.156 -6.089 1.776 1.00 0.00 H new ATOM 0 HD12 LEU A 101 71.851 -6.575 2.020 1.00 0.00 H new ATOM 0 HD13 LEU A 101 71.455 -5.266 0.880 1.00 0.00 H new ATOM 0 HD21 LEU A 101 69.003 -6.617 -0.381 1.00 0.00 H new ATOM 0 HD22 LEU A 101 70.302 -5.792 -1.274 1.00 0.00 H new ATOM 0 HD23 LEU A 101 69.880 -7.474 -1.671 1.00 0.00 H new ATOM 1109 N PRO A 102 73.301 -8.665 -3.229 1.00 0.00 N ATOM 1110 CA PRO A 102 74.294 -8.738 -4.324 1.00 0.00 C ATOM 1111 C PRO A 102 75.478 -7.819 -4.019 1.00 0.00 C ATOM 1112 O PRO A 102 75.353 -6.864 -3.278 1.00 0.00 O ATOM 1113 CB PRO A 102 73.504 -8.220 -5.531 1.00 0.00 C ATOM 1114 CG PRO A 102 72.078 -7.859 -5.070 1.00 0.00 C ATOM 1115 CD PRO A 102 71.938 -8.196 -3.580 1.00 0.00 C ATOM 0 HA PRO A 102 74.710 -9.734 -4.477 1.00 0.00 H new ATOM 0 HB2 PRO A 102 73.996 -7.346 -5.958 1.00 0.00 H new ATOM 0 HB3 PRO A 102 73.468 -8.979 -6.313 1.00 0.00 H new ATOM 0 HG2 PRO A 102 71.885 -6.799 -5.237 1.00 0.00 H new ATOM 0 HG3 PRO A 102 71.342 -8.413 -5.653 1.00 0.00 H new ATOM 0 HD2 PRO A 102 71.644 -7.326 -2.993 1.00 0.00 H new ATOM 0 HD3 PRO A 102 71.186 -8.966 -3.407 1.00 0.00 H new ATOM 1123 N VAL A 103 76.624 -8.085 -4.583 1.00 0.00 N ATOM 1124 CA VAL A 103 77.790 -7.222 -4.328 1.00 0.00 C ATOM 1125 C VAL A 103 77.454 -5.779 -4.717 1.00 0.00 C ATOM 1126 O VAL A 103 76.303 -5.410 -4.821 1.00 0.00 O ATOM 1127 CB VAL A 103 78.878 -7.801 -5.229 1.00 0.00 C ATOM 1128 CG1 VAL A 103 79.405 -9.107 -4.629 1.00 0.00 C ATOM 1129 CG2 VAL A 103 78.320 -8.069 -6.630 1.00 0.00 C ATOM 0 H VAL A 103 76.795 -8.870 -5.212 1.00 0.00 H new ATOM 0 HA VAL A 103 78.097 -7.198 -3.282 1.00 0.00 H new ATOM 0 HB VAL A 103 79.692 -7.080 -5.304 1.00 0.00 H new ATOM 0 HG11 VAL A 103 80.181 -9.517 -5.275 1.00 0.00 H new ATOM 0 HG12 VAL A 103 79.821 -8.912 -3.641 1.00 0.00 H new ATOM 0 HG13 VAL A 103 78.588 -9.824 -4.543 1.00 0.00 H new ATOM 0 HG21 VAL A 103 79.106 -8.482 -7.262 1.00 0.00 H new ATOM 0 HG22 VAL A 103 77.497 -8.780 -6.564 1.00 0.00 H new ATOM 0 HG23 VAL A 103 77.959 -7.136 -7.063 1.00 0.00 H new ATOM 1139 N SER A 104 78.446 -4.960 -4.935 1.00 0.00 N ATOM 1140 CA SER A 104 78.178 -3.541 -5.321 1.00 0.00 C ATOM 1141 C SER A 104 77.623 -2.752 -4.131 1.00 0.00 C ATOM 1142 O SER A 104 77.426 -3.277 -3.053 1.00 0.00 O ATOM 1143 CB SER A 104 77.124 -3.606 -6.435 1.00 0.00 C ATOM 1144 OG SER A 104 75.865 -3.196 -5.921 1.00 0.00 O ATOM 0 H SER A 104 79.432 -5.210 -4.863 1.00 0.00 H new ATOM 0 HA SER A 104 79.091 -3.041 -5.646 1.00 0.00 H new ATOM 0 HB2 SER A 104 77.417 -2.963 -7.265 1.00 0.00 H new ATOM 0 HB3 SER A 104 77.056 -4.621 -6.827 1.00 0.00 H new ATOM 0 HG SER A 104 75.400 -3.970 -5.539 1.00 0.00 H new ATOM 1150 N GLY A 105 77.353 -1.496 -4.340 1.00 0.00 N ATOM 1151 CA GLY A 105 76.789 -0.646 -3.257 1.00 0.00 C ATOM 1152 C GLY A 105 75.956 0.455 -3.909 1.00 0.00 C ATOM 1153 O GLY A 105 75.002 0.178 -4.608 1.00 0.00 O ATOM 0 H GLY A 105 77.501 -1.015 -5.227 1.00 0.00 H new ATOM 0 HA2 GLY A 105 76.173 -1.243 -2.585 1.00 0.00 H new ATOM 0 HA3 GLY A 105 77.589 -0.214 -2.656 1.00 0.00 H new ATOM 1157 N MET A 106 76.317 1.696 -3.706 1.00 0.00 N ATOM 1158 CA MET A 106 75.551 2.813 -4.332 1.00 0.00 C ATOM 1159 C MET A 106 74.056 2.481 -4.371 1.00 0.00 C ATOM 1160 O MET A 106 73.501 1.983 -3.413 1.00 0.00 O ATOM 1161 CB MET A 106 76.120 2.930 -5.743 1.00 0.00 C ATOM 1162 CG MET A 106 75.882 4.346 -6.273 1.00 0.00 C ATOM 1163 SD MET A 106 76.026 4.346 -8.078 1.00 0.00 S ATOM 1164 CE MET A 106 77.833 4.270 -8.159 1.00 0.00 C ATOM 0 H MET A 106 77.110 1.983 -3.133 1.00 0.00 H new ATOM 0 HA MET A 106 75.645 3.745 -3.775 1.00 0.00 H new ATOM 0 HB2 MET A 106 77.187 2.707 -5.736 1.00 0.00 H new ATOM 0 HB3 MET A 106 75.646 2.200 -6.399 1.00 0.00 H new ATOM 0 HG2 MET A 106 74.893 4.696 -5.976 1.00 0.00 H new ATOM 0 HG3 MET A 106 76.607 5.035 -5.840 1.00 0.00 H new ATOM 0 HE1 MET A 106 78.213 5.164 -8.654 1.00 0.00 H new ATOM 0 HE2 MET A 106 78.240 4.213 -7.150 1.00 0.00 H new ATOM 0 HE3 MET A 106 78.135 3.387 -8.722 1.00 0.00 H new ATOM 1174 N ASP A 107 73.394 2.748 -5.464 1.00 0.00 N ATOM 1175 CA ASP A 107 71.937 2.442 -5.532 1.00 0.00 C ATOM 1176 C ASP A 107 71.541 1.970 -6.935 1.00 0.00 C ATOM 1177 O ASP A 107 70.695 2.560 -7.578 1.00 0.00 O ATOM 1178 CB ASP A 107 71.243 3.762 -5.196 1.00 0.00 C ATOM 1179 CG ASP A 107 69.828 3.480 -4.685 1.00 0.00 C ATOM 1180 OD1 ASP A 107 69.273 2.464 -5.070 1.00 0.00 O ATOM 1181 OD2 ASP A 107 69.325 4.285 -3.919 1.00 0.00 O ATOM 0 H ASP A 107 73.795 3.161 -6.306 1.00 0.00 H new ATOM 0 HA ASP A 107 71.658 1.641 -4.847 1.00 0.00 H new ATOM 0 HB2 ASP A 107 71.813 4.303 -4.440 1.00 0.00 H new ATOM 0 HB3 ASP A 107 71.202 4.399 -6.080 1.00 0.00 H new ATOM 1186 N LYS A 108 72.132 0.908 -7.412 1.00 0.00 N ATOM 1187 CA LYS A 108 71.767 0.407 -8.767 1.00 0.00 C ATOM 1188 C LYS A 108 71.991 -1.114 -8.864 1.00 0.00 C ATOM 1189 O LYS A 108 71.035 -1.850 -9.004 1.00 0.00 O ATOM 1190 CB LYS A 108 72.654 1.176 -9.741 1.00 0.00 C ATOM 1191 CG LYS A 108 71.811 2.207 -10.492 1.00 0.00 C ATOM 1192 CD LYS A 108 72.709 3.351 -10.967 1.00 0.00 C ATOM 1193 CE LYS A 108 73.035 3.159 -12.449 1.00 0.00 C ATOM 1194 NZ LYS A 108 72.500 4.380 -13.117 1.00 0.00 N ATOM 0 H LYS A 108 72.848 0.369 -6.925 1.00 0.00 H new ATOM 0 HA LYS A 108 70.713 0.566 -8.993 1.00 0.00 H new ATOM 0 HB2 LYS A 108 73.460 1.673 -9.201 1.00 0.00 H new ATOM 0 HB3 LYS A 108 73.120 0.488 -10.446 1.00 0.00 H new ATOM 0 HG2 LYS A 108 71.319 1.739 -11.344 1.00 0.00 H new ATOM 0 HG3 LYS A 108 71.025 2.593 -9.843 1.00 0.00 H new ATOM 0 HD2 LYS A 108 72.209 4.308 -10.814 1.00 0.00 H new ATOM 0 HD3 LYS A 108 73.628 3.374 -10.381 1.00 0.00 H new ATOM 0 HE2 LYS A 108 74.109 3.059 -12.608 1.00 0.00 H new ATOM 0 HE3 LYS A 108 72.569 2.256 -12.843 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 72.684 4.325 -14.139 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 71.475 4.445 -12.953 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 72.967 5.223 -12.726 1.00 0.00 H new ATOM 1208 N PRO A 109 73.230 -1.561 -8.780 1.00 0.00 N ATOM 1209 CA PRO A 109 73.495 -3.018 -8.858 1.00 0.00 C ATOM 1210 C PRO A 109 72.797 -3.737 -7.700 1.00 0.00 C ATOM 1211 O PRO A 109 71.882 -4.511 -7.898 1.00 0.00 O ATOM 1212 CB PRO A 109 75.014 -3.101 -8.711 1.00 0.00 C ATOM 1213 CG PRO A 109 75.572 -1.675 -8.534 1.00 0.00 C ATOM 1214 CD PRO A 109 74.412 -0.673 -8.609 1.00 0.00 C ATOM 0 HA PRO A 109 73.131 -3.483 -9.774 1.00 0.00 H new ATOM 0 HB2 PRO A 109 75.277 -3.719 -7.853 1.00 0.00 H new ATOM 0 HB3 PRO A 109 75.454 -3.572 -9.590 1.00 0.00 H new ATOM 0 HG2 PRO A 109 76.084 -1.587 -7.576 1.00 0.00 H new ATOM 0 HG3 PRO A 109 76.307 -1.459 -9.309 1.00 0.00 H new ATOM 0 HD2 PRO A 109 74.338 -0.069 -7.705 1.00 0.00 H new ATOM 0 HD3 PRO A 109 74.525 0.017 -9.445 1.00 0.00 H new ATOM 1222 N VAL A 110 73.232 -3.484 -6.490 1.00 0.00 N ATOM 1223 CA VAL A 110 72.603 -4.145 -5.298 1.00 0.00 C ATOM 1224 C VAL A 110 71.082 -4.043 -5.338 1.00 0.00 C ATOM 1225 O VAL A 110 70.479 -3.649 -6.315 1.00 0.00 O ATOM 1226 CB VAL A 110 73.082 -3.373 -4.062 1.00 0.00 C ATOM 1227 CG1 VAL A 110 74.376 -3.971 -3.525 1.00 0.00 C ATOM 1228 CG2 VAL A 110 73.285 -1.902 -4.405 1.00 0.00 C ATOM 0 H VAL A 110 73.998 -2.846 -6.273 1.00 0.00 H new ATOM 0 HA VAL A 110 72.881 -5.199 -5.283 1.00 0.00 H new ATOM 0 HB VAL A 110 72.318 -3.452 -3.289 1.00 0.00 H new ATOM 0 HG11 VAL A 110 74.700 -3.410 -2.648 1.00 0.00 H new ATOM 0 HG12 VAL A 110 74.208 -5.012 -3.248 1.00 0.00 H new ATOM 0 HG13 VAL A 110 75.147 -3.920 -4.294 1.00 0.00 H new ATOM 0 HG21 VAL A 110 73.625 -1.365 -3.519 1.00 0.00 H new ATOM 0 HG22 VAL A 110 74.033 -1.812 -5.193 1.00 0.00 H new ATOM 0 HG23 VAL A 110 72.343 -1.475 -4.748 1.00 0.00 H new ATOM 1238 N PHE A 111 70.471 -4.388 -4.245 1.00 0.00 N ATOM 1239 CA PHE A 111 68.994 -4.322 -4.138 1.00 0.00 C ATOM 1240 C PHE A 111 68.605 -3.424 -2.959 1.00 0.00 C ATOM 1241 O PHE A 111 67.477 -2.987 -2.840 1.00 0.00 O ATOM 1242 CB PHE A 111 68.590 -5.761 -3.865 1.00 0.00 C ATOM 1243 CG PHE A 111 68.044 -6.389 -5.126 1.00 0.00 C ATOM 1244 CD1 PHE A 111 68.900 -6.651 -6.203 1.00 0.00 C ATOM 1245 CD2 PHE A 111 66.686 -6.712 -5.218 1.00 0.00 C ATOM 1246 CE1 PHE A 111 68.398 -7.236 -7.371 1.00 0.00 C ATOM 1247 CE2 PHE A 111 66.183 -7.298 -6.386 1.00 0.00 C ATOM 1248 CZ PHE A 111 67.040 -7.561 -7.463 1.00 0.00 C ATOM 0 H PHE A 111 70.944 -4.720 -3.404 1.00 0.00 H new ATOM 0 HA PHE A 111 68.512 -3.912 -5.025 1.00 0.00 H new ATOM 0 HB2 PHE A 111 69.450 -6.328 -3.509 1.00 0.00 H new ATOM 0 HB3 PHE A 111 67.838 -5.794 -3.077 1.00 0.00 H new ATOM 0 HD1 PHE A 111 69.948 -6.401 -6.132 1.00 0.00 H new ATOM 0 HD2 PHE A 111 66.025 -6.509 -4.388 1.00 0.00 H new ATOM 0 HE1 PHE A 111 69.059 -7.437 -8.201 1.00 0.00 H new ATOM 0 HE2 PHE A 111 65.135 -7.547 -6.457 1.00 0.00 H new ATOM 0 HZ PHE A 111 66.653 -8.014 -8.364 1.00 0.00 H new ATOM 1258 N THR A 112 69.537 -3.154 -2.079 1.00 0.00 N ATOM 1259 CA THR A 112 69.227 -2.295 -0.897 1.00 0.00 C ATOM 1260 C THR A 112 69.724 -0.864 -1.123 1.00 0.00 C ATOM 1261 O THR A 112 69.951 -0.439 -2.238 1.00 0.00 O ATOM 1262 CB THR A 112 69.988 -2.938 0.267 1.00 0.00 C ATOM 1263 OG1 THR A 112 69.770 -2.180 1.449 1.00 0.00 O ATOM 1264 CG2 THR A 112 71.484 -2.971 -0.051 1.00 0.00 C ATOM 0 H THR A 112 70.498 -3.492 -2.129 1.00 0.00 H new ATOM 0 HA THR A 112 68.155 -2.232 -0.710 1.00 0.00 H new ATOM 0 HB THR A 112 69.630 -3.957 0.415 1.00 0.00 H new ATOM 0 HG1 THR A 112 68.824 -1.930 1.508 1.00 0.00 H new ATOM 0 HG21 THR A 112 72.022 -3.429 0.779 1.00 0.00 H new ATOM 0 HG22 THR A 112 71.651 -3.553 -0.957 1.00 0.00 H new ATOM 0 HG23 THR A 112 71.846 -1.954 -0.202 1.00 0.00 H new ATOM 1272 N ASP A 113 69.903 -0.126 -0.061 1.00 0.00 N ATOM 1273 CA ASP A 113 70.398 1.274 -0.187 1.00 0.00 C ATOM 1274 C ASP A 113 71.830 1.344 0.340 1.00 0.00 C ATOM 1275 O ASP A 113 72.191 0.600 1.231 1.00 0.00 O ATOM 1276 CB ASP A 113 69.460 2.111 0.681 1.00 0.00 C ATOM 1277 CG ASP A 113 68.204 2.463 -0.120 1.00 0.00 C ATOM 1278 OD1 ASP A 113 67.290 1.655 -0.138 1.00 0.00 O ATOM 1279 OD2 ASP A 113 68.178 3.535 -0.703 1.00 0.00 O ATOM 0 H ASP A 113 69.726 -0.435 0.895 1.00 0.00 H new ATOM 0 HA ASP A 113 70.407 1.631 -1.217 1.00 0.00 H new ATOM 0 HB2 ASP A 113 69.188 1.558 1.580 1.00 0.00 H new ATOM 0 HB3 ASP A 113 69.964 3.021 1.007 1.00 0.00 H new ATOM 1284 N PRO A 114 72.617 2.210 -0.237 1.00 0.00 N ATOM 1285 CA PRO A 114 74.028 2.328 0.179 1.00 0.00 C ATOM 1286 C PRO A 114 74.160 2.651 1.681 1.00 0.00 C ATOM 1287 O PRO A 114 74.717 1.864 2.413 1.00 0.00 O ATOM 1288 CB PRO A 114 74.556 3.454 -0.710 1.00 0.00 C ATOM 1289 CG PRO A 114 73.397 3.971 -1.586 1.00 0.00 C ATOM 1290 CD PRO A 114 72.155 3.103 -1.329 1.00 0.00 C ATOM 0 HA PRO A 114 74.590 1.401 0.061 1.00 0.00 H new ATOM 0 HB2 PRO A 114 74.958 4.262 -0.099 1.00 0.00 H new ATOM 0 HB3 PRO A 114 75.371 3.092 -1.336 1.00 0.00 H new ATOM 0 HG2 PRO A 114 73.183 5.014 -1.352 1.00 0.00 H new ATOM 0 HG3 PRO A 114 73.674 3.931 -2.640 1.00 0.00 H new ATOM 0 HD2 PRO A 114 71.295 3.702 -1.029 1.00 0.00 H new ATOM 0 HD3 PRO A 114 71.859 2.542 -2.216 1.00 0.00 H new ATOM 1298 N PRO A 115 73.652 3.785 2.102 1.00 0.00 N ATOM 1299 CA PRO A 115 73.745 4.180 3.532 1.00 0.00 C ATOM 1300 C PRO A 115 73.132 3.100 4.427 1.00 0.00 C ATOM 1301 O PRO A 115 72.019 3.235 4.898 1.00 0.00 O ATOM 1302 CB PRO A 115 72.894 5.451 3.582 1.00 0.00 C ATOM 1303 CG PRO A 115 72.337 5.730 2.172 1.00 0.00 C ATOM 1304 CD PRO A 115 72.942 4.713 1.196 1.00 0.00 C ATOM 0 HA PRO A 115 74.769 4.321 3.878 1.00 0.00 H new ATOM 0 HB2 PRO A 115 72.077 5.331 4.294 1.00 0.00 H new ATOM 0 HB3 PRO A 115 73.494 6.294 3.925 1.00 0.00 H new ATOM 0 HG2 PRO A 115 71.250 5.653 2.173 1.00 0.00 H new ATOM 0 HG3 PRO A 115 72.584 6.745 1.862 1.00 0.00 H new ATOM 0 HD2 PRO A 115 72.175 4.204 0.613 1.00 0.00 H new ATOM 0 HD3 PRO A 115 73.620 5.186 0.486 1.00 0.00 H new ATOM 1312 N VAL A 116 73.834 2.029 4.670 1.00 0.00 N ATOM 1313 CA VAL A 116 73.270 0.961 5.535 1.00 0.00 C ATOM 1314 C VAL A 116 73.638 1.232 6.996 1.00 0.00 C ATOM 1315 O VAL A 116 74.678 1.787 7.290 1.00 0.00 O ATOM 1316 CB VAL A 116 73.911 -0.338 5.042 1.00 0.00 C ATOM 1317 CG1 VAL A 116 73.914 -0.366 3.511 1.00 0.00 C ATOM 1318 CG2 VAL A 116 75.348 -0.431 5.560 1.00 0.00 C ATOM 0 H VAL A 116 74.770 1.849 4.308 1.00 0.00 H new ATOM 0 HA VAL A 116 72.182 0.912 5.483 1.00 0.00 H new ATOM 0 HB VAL A 116 73.336 -1.186 5.415 1.00 0.00 H new ATOM 0 HG11 VAL A 116 74.371 -1.293 3.165 1.00 0.00 H new ATOM 0 HG12 VAL A 116 72.889 -0.308 3.144 1.00 0.00 H new ATOM 0 HG13 VAL A 116 74.483 0.483 3.133 1.00 0.00 H new ATOM 0 HG21 VAL A 116 75.803 -1.357 5.208 1.00 0.00 H new ATOM 0 HG22 VAL A 116 75.923 0.419 5.192 1.00 0.00 H new ATOM 0 HG23 VAL A 116 75.343 -0.421 6.650 1.00 0.00 H new ATOM 1328 N LYS A 117 72.792 0.854 7.909 1.00 0.00 N ATOM 1329 CA LYS A 117 73.093 1.102 9.345 1.00 0.00 C ATOM 1330 C LYS A 117 73.771 -0.116 9.975 1.00 0.00 C ATOM 1331 O LYS A 117 73.487 -1.246 9.630 1.00 0.00 O ATOM 1332 CB LYS A 117 71.733 1.346 9.991 1.00 0.00 C ATOM 1333 CG LYS A 117 71.931 1.736 11.457 1.00 0.00 C ATOM 1334 CD LYS A 117 71.098 0.814 12.348 1.00 0.00 C ATOM 1335 CE LYS A 117 69.784 1.508 12.712 1.00 0.00 C ATOM 1336 NZ LYS A 117 68.729 0.481 12.477 1.00 0.00 N ATOM 0 H LYS A 117 71.906 0.384 7.725 1.00 0.00 H new ATOM 0 HA LYS A 117 73.774 1.942 9.481 1.00 0.00 H new ATOM 0 HB2 LYS A 117 71.203 2.137 9.461 1.00 0.00 H new ATOM 0 HB3 LYS A 117 71.118 0.448 9.922 1.00 0.00 H new ATOM 0 HG2 LYS A 117 72.985 1.663 11.725 1.00 0.00 H new ATOM 0 HG3 LYS A 117 71.635 2.773 11.611 1.00 0.00 H new ATOM 0 HD2 LYS A 117 70.895 -0.124 11.831 1.00 0.00 H new ATOM 0 HD3 LYS A 117 71.653 0.565 13.252 1.00 0.00 H new ATOM 0 HE2 LYS A 117 69.787 1.840 13.750 1.00 0.00 H new ATOM 0 HE3 LYS A 117 69.620 2.391 12.095 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 67.797 0.882 12.705 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 68.745 0.189 11.479 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 68.908 -0.345 13.083 1.00 0.00 H new ATOM 1350 N THR A 118 74.662 0.107 10.899 1.00 0.00 N ATOM 1351 CA THR A 118 75.356 -1.037 11.556 1.00 0.00 C ATOM 1352 C THR A 118 75.979 -0.596 12.883 1.00 0.00 C ATOM 1353 O THR A 118 77.181 -0.620 13.054 1.00 0.00 O ATOM 1354 CB THR A 118 76.444 -1.460 10.568 1.00 0.00 C ATOM 1355 OG1 THR A 118 77.250 -2.468 11.161 1.00 0.00 O ATOM 1356 CG2 THR A 118 77.311 -0.252 10.215 1.00 0.00 C ATOM 0 H THR A 118 74.941 1.031 11.228 1.00 0.00 H new ATOM 0 HA THR A 118 74.672 -1.853 11.787 1.00 0.00 H new ATOM 0 HB THR A 118 75.983 -1.849 9.661 1.00 0.00 H new ATOM 0 HG1 THR A 118 77.730 -2.093 11.929 1.00 0.00 H new ATOM 0 HG21 THR A 118 78.086 -0.554 9.511 1.00 0.00 H new ATOM 0 HG22 THR A 118 76.691 0.521 9.762 1.00 0.00 H new ATOM 0 HG23 THR A 118 77.775 0.139 11.120 1.00 0.00 H new ATOM 1364 N LYS A 119 75.168 -0.199 13.827 1.00 0.00 N ATOM 1365 CA LYS A 119 75.714 0.238 15.145 1.00 0.00 C ATOM 1366 C LYS A 119 76.618 1.462 14.973 1.00 0.00 C ATOM 1367 O LYS A 119 77.320 1.858 15.883 1.00 0.00 O ATOM 1368 CB LYS A 119 76.523 -0.957 15.647 1.00 0.00 C ATOM 1369 CG LYS A 119 76.316 -1.115 17.154 1.00 0.00 C ATOM 1370 CD LYS A 119 77.568 -1.735 17.776 1.00 0.00 C ATOM 1371 CE LYS A 119 77.617 -3.229 17.445 1.00 0.00 C ATOM 1372 NZ LYS A 119 79.020 -3.639 17.736 1.00 0.00 N ATOM 0 H LYS A 119 74.152 -0.158 13.743 1.00 0.00 H new ATOM 0 HA LYS A 119 74.927 0.526 15.842 1.00 0.00 H new ATOM 0 HB2 LYS A 119 76.212 -1.864 15.129 1.00 0.00 H new ATOM 0 HB3 LYS A 119 77.581 -0.812 15.428 1.00 0.00 H new ATOM 0 HG2 LYS A 119 76.113 -0.145 17.608 1.00 0.00 H new ATOM 0 HG3 LYS A 119 75.449 -1.746 17.349 1.00 0.00 H new ATOM 0 HD2 LYS A 119 78.460 -1.238 17.395 1.00 0.00 H new ATOM 0 HD3 LYS A 119 77.559 -1.591 18.856 1.00 0.00 H new ATOM 0 HE2 LYS A 119 76.907 -3.792 18.051 1.00 0.00 H new ATOM 0 HE3 LYS A 119 77.360 -3.411 16.402 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 79.134 -4.653 17.534 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 79.673 -3.091 17.140 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 79.233 -3.460 18.738 1.00 0.00 H new ATOM 1386 N PHE A 120 76.609 2.064 13.816 1.00 0.00 N ATOM 1387 CA PHE A 120 77.471 3.259 13.590 1.00 0.00 C ATOM 1388 C PHE A 120 76.640 4.411 13.018 1.00 0.00 C ATOM 1389 O PHE A 120 76.247 5.319 13.723 1.00 0.00 O ATOM 1390 CB PHE A 120 78.515 2.800 12.572 1.00 0.00 C ATOM 1391 CG PHE A 120 79.750 2.323 13.297 1.00 0.00 C ATOM 1392 CD1 PHE A 120 80.495 3.216 14.077 1.00 0.00 C ATOM 1393 CD2 PHE A 120 80.151 0.986 13.187 1.00 0.00 C ATOM 1394 CE1 PHE A 120 81.640 2.771 14.747 1.00 0.00 C ATOM 1395 CE2 PHE A 120 81.296 0.543 13.858 1.00 0.00 C ATOM 1396 CZ PHE A 120 82.041 1.434 14.638 1.00 0.00 C ATOM 0 H PHE A 120 76.042 1.780 13.017 1.00 0.00 H new ATOM 0 HA PHE A 120 77.926 3.622 14.512 1.00 0.00 H new ATOM 0 HB2 PHE A 120 78.109 1.997 11.956 1.00 0.00 H new ATOM 0 HB3 PHE A 120 78.769 3.620 11.900 1.00 0.00 H new ATOM 0 HD1 PHE A 120 80.186 4.247 14.161 1.00 0.00 H new ATOM 0 HD2 PHE A 120 79.577 0.297 12.585 1.00 0.00 H new ATOM 0 HE1 PHE A 120 82.215 3.459 15.349 1.00 0.00 H new ATOM 0 HE2 PHE A 120 81.605 -0.488 13.774 1.00 0.00 H new ATOM 0 HZ PHE A 120 82.925 1.091 15.156 1.00 0.00 H new ATOM 1406 N GLY A 121 76.374 4.374 11.743 1.00 0.00 N ATOM 1407 CA GLY A 121 75.572 5.457 11.110 1.00 0.00 C ATOM 1408 C GLY A 121 75.044 4.957 9.764 1.00 0.00 C ATOM 1409 O GLY A 121 74.406 3.929 9.680 1.00 0.00 O ATOM 0 H GLY A 121 76.679 3.636 11.109 1.00 0.00 H new ATOM 0 HA2 GLY A 121 74.743 5.741 11.758 1.00 0.00 H new ATOM 0 HA3 GLY A 121 76.185 6.347 10.968 1.00 0.00 H new ATOM 1413 N TYR A 122 75.327 5.667 8.708 1.00 0.00 N ATOM 1414 CA TYR A 122 74.866 5.229 7.360 1.00 0.00 C ATOM 1415 C TYR A 122 76.091 4.937 6.501 1.00 0.00 C ATOM 1416 O TYR A 122 76.774 5.837 6.055 1.00 0.00 O ATOM 1417 CB TYR A 122 74.083 6.413 6.788 1.00 0.00 C ATOM 1418 CG TYR A 122 72.603 6.219 7.034 1.00 0.00 C ATOM 1419 CD1 TYR A 122 72.165 5.481 8.139 1.00 0.00 C ATOM 1420 CD2 TYR A 122 71.670 6.779 6.153 1.00 0.00 C ATOM 1421 CE1 TYR A 122 70.794 5.303 8.364 1.00 0.00 C ATOM 1422 CE2 TYR A 122 70.301 6.601 6.377 1.00 0.00 C ATOM 1423 CZ TYR A 122 69.862 5.863 7.482 1.00 0.00 C ATOM 1424 OH TYR A 122 68.512 5.689 7.704 1.00 0.00 O ATOM 0 H TYR A 122 75.860 6.536 8.720 1.00 0.00 H new ATOM 0 HA TYR A 122 74.249 4.331 7.394 1.00 0.00 H new ATOM 0 HB2 TYR A 122 74.419 7.340 7.252 1.00 0.00 H new ATOM 0 HB3 TYR A 122 74.274 6.504 5.719 1.00 0.00 H new ATOM 0 HD1 TYR A 122 72.884 5.048 8.819 1.00 0.00 H new ATOM 0 HD2 TYR A 122 72.008 7.349 5.300 1.00 0.00 H new ATOM 0 HE1 TYR A 122 70.456 4.734 9.217 1.00 0.00 H new ATOM 0 HE2 TYR A 122 69.582 7.033 5.697 1.00 0.00 H new ATOM 0 HH TYR A 122 68.004 6.143 7.000 1.00 0.00 H new ATOM 1434 N HIS A 123 76.392 3.692 6.282 1.00 0.00 N ATOM 1435 CA HIS A 123 77.592 3.359 5.473 1.00 0.00 C ATOM 1436 C HIS A 123 77.199 2.870 4.084 1.00 0.00 C ATOM 1437 O HIS A 123 76.396 1.975 3.939 1.00 0.00 O ATOM 1438 CB HIS A 123 78.301 2.237 6.242 1.00 0.00 C ATOM 1439 CG HIS A 123 78.333 2.540 7.720 1.00 0.00 C ATOM 1440 ND1 HIS A 123 79.516 2.544 8.444 1.00 0.00 N ATOM 1441 CD2 HIS A 123 77.342 2.840 8.626 1.00 0.00 C ATOM 1442 CE1 HIS A 123 79.211 2.837 9.720 1.00 0.00 C ATOM 1443 NE2 HIS A 123 77.901 3.027 9.887 1.00 0.00 N ATOM 0 H HIS A 123 75.861 2.892 6.627 1.00 0.00 H new ATOM 0 HA HIS A 123 78.229 4.232 5.331 1.00 0.00 H new ATOM 0 HB2 HIS A 123 77.787 1.291 6.071 1.00 0.00 H new ATOM 0 HB3 HIS A 123 79.318 2.119 5.868 1.00 0.00 H new ATOM 0 HD1 HIS A 123 80.449 2.358 8.075 1.00 0.00 H new ATOM 0 HD2 HIS A 123 76.290 2.918 8.394 1.00 0.00 H new ATOM 0 HE1 HIS A 123 79.939 2.910 10.515 1.00 0.00 H new ATOM 1451 N ILE A 124 77.794 3.427 3.062 1.00 0.00 N ATOM 1452 CA ILE A 124 77.482 2.969 1.682 1.00 0.00 C ATOM 1453 C ILE A 124 78.443 1.836 1.342 1.00 0.00 C ATOM 1454 O ILE A 124 79.599 2.057 1.049 1.00 0.00 O ATOM 1455 CB ILE A 124 77.725 4.183 0.776 1.00 0.00 C ATOM 1456 CG1 ILE A 124 76.803 5.338 1.201 1.00 0.00 C ATOM 1457 CG2 ILE A 124 77.435 3.801 -0.677 1.00 0.00 C ATOM 1458 CD1 ILE A 124 76.778 6.413 0.108 1.00 0.00 C ATOM 0 H ILE A 124 78.481 4.178 3.126 1.00 0.00 H new ATOM 0 HA ILE A 124 76.461 2.605 1.565 1.00 0.00 H new ATOM 0 HB ILE A 124 78.764 4.501 0.867 1.00 0.00 H new ATOM 0 HG12 ILE A 124 75.795 4.964 1.379 1.00 0.00 H new ATOM 0 HG13 ILE A 124 77.153 5.769 2.139 1.00 0.00 H new ATOM 0 HG21 ILE A 124 77.607 4.663 -1.321 1.00 0.00 H new ATOM 0 HG22 ILE A 124 78.094 2.986 -0.977 1.00 0.00 H new ATOM 0 HG23 ILE A 124 76.397 3.481 -0.769 1.00 0.00 H new ATOM 0 HD11 ILE A 124 76.123 7.229 0.415 1.00 0.00 H new ATOM 0 HD12 ILE A 124 77.786 6.796 -0.048 1.00 0.00 H new ATOM 0 HD13 ILE A 124 76.407 5.979 -0.821 1.00 0.00 H new ATOM 1470 N ILE A 125 77.978 0.618 1.425 1.00 0.00 N ATOM 1471 CA ILE A 125 78.866 -0.542 1.157 1.00 0.00 C ATOM 1472 C ILE A 125 78.841 -0.924 -0.323 1.00 0.00 C ATOM 1473 O ILE A 125 77.845 -1.381 -0.848 1.00 0.00 O ATOM 1474 CB ILE A 125 78.283 -1.668 2.017 1.00 0.00 C ATOM 1475 CG1 ILE A 125 78.787 -1.526 3.455 1.00 0.00 C ATOM 1476 CG2 ILE A 125 78.711 -3.028 1.464 1.00 0.00 C ATOM 1477 CD1 ILE A 125 77.988 -2.461 4.364 1.00 0.00 C ATOM 0 H ILE A 125 77.017 0.379 1.668 1.00 0.00 H new ATOM 0 HA ILE A 125 79.908 -0.328 1.394 1.00 0.00 H new ATOM 0 HB ILE A 125 77.195 -1.600 1.999 1.00 0.00 H new ATOM 0 HG12 ILE A 125 79.848 -1.769 3.506 1.00 0.00 H new ATOM 0 HG13 ILE A 125 78.680 -0.494 3.790 1.00 0.00 H new ATOM 0 HG21 ILE A 125 78.291 -3.821 2.083 1.00 0.00 H new ATOM 0 HG22 ILE A 125 78.349 -3.135 0.442 1.00 0.00 H new ATOM 0 HG23 ILE A 125 79.799 -3.098 1.473 1.00 0.00 H new ATOM 0 HD11 ILE A 125 78.344 -2.363 5.390 1.00 0.00 H new ATOM 0 HD12 ILE A 125 76.932 -2.196 4.320 1.00 0.00 H new ATOM 0 HD13 ILE A 125 78.118 -3.491 4.031 1.00 0.00 H new ATOM 1489 N MET A 126 79.949 -0.763 -0.985 1.00 0.00 N ATOM 1490 CA MET A 126 80.029 -1.138 -2.420 1.00 0.00 C ATOM 1491 C MET A 126 80.948 -2.359 -2.554 1.00 0.00 C ATOM 1492 O MET A 126 82.154 -2.253 -2.458 1.00 0.00 O ATOM 1493 CB MET A 126 80.631 0.086 -3.117 1.00 0.00 C ATOM 1494 CG MET A 126 79.539 1.137 -3.362 1.00 0.00 C ATOM 1495 SD MET A 126 80.184 2.453 -4.430 1.00 0.00 S ATOM 1496 CE MET A 126 80.045 3.818 -3.249 1.00 0.00 C ATOM 0 H MET A 126 80.810 -0.384 -0.590 1.00 0.00 H new ATOM 0 HA MET A 126 79.065 -1.401 -2.855 1.00 0.00 H new ATOM 0 HB2 MET A 126 81.426 0.511 -2.503 1.00 0.00 H new ATOM 0 HB3 MET A 126 81.083 -0.209 -4.064 1.00 0.00 H new ATOM 0 HG2 MET A 126 78.670 0.671 -3.827 1.00 0.00 H new ATOM 0 HG3 MET A 126 79.205 1.557 -2.413 1.00 0.00 H new ATOM 0 HE1 MET A 126 80.751 4.604 -3.517 1.00 0.00 H new ATOM 0 HE2 MET A 126 79.031 4.217 -3.272 1.00 0.00 H new ATOM 0 HE3 MET A 126 80.269 3.455 -2.246 1.00 0.00 H new ATOM 1506 N VAL A 127 80.384 -3.520 -2.753 1.00 0.00 N ATOM 1507 CA VAL A 127 81.224 -4.752 -2.867 1.00 0.00 C ATOM 1508 C VAL A 127 81.622 -4.981 -4.324 1.00 0.00 C ATOM 1509 O VAL A 127 80.908 -4.609 -5.234 1.00 0.00 O ATOM 1510 CB VAL A 127 80.327 -5.885 -2.368 1.00 0.00 C ATOM 1511 CG1 VAL A 127 81.144 -7.171 -2.247 1.00 0.00 C ATOM 1512 CG2 VAL A 127 79.755 -5.515 -0.997 1.00 0.00 C ATOM 0 H VAL A 127 79.379 -3.671 -2.842 1.00 0.00 H new ATOM 0 HA VAL A 127 82.148 -4.682 -2.293 1.00 0.00 H new ATOM 0 HB VAL A 127 79.512 -6.039 -3.075 1.00 0.00 H new ATOM 0 HG11 VAL A 127 80.503 -7.977 -1.891 1.00 0.00 H new ATOM 0 HG12 VAL A 127 81.552 -7.436 -3.222 1.00 0.00 H new ATOM 0 HG13 VAL A 127 81.960 -7.018 -1.541 1.00 0.00 H new ATOM 0 HG21 VAL A 127 79.115 -6.322 -0.640 1.00 0.00 H new ATOM 0 HG22 VAL A 127 80.572 -5.360 -0.292 1.00 0.00 H new ATOM 0 HG23 VAL A 127 79.170 -4.599 -1.082 1.00 0.00 H new ATOM 1522 N GLU A 128 82.760 -5.581 -4.563 1.00 0.00 N ATOM 1523 CA GLU A 128 83.173 -5.805 -5.971 1.00 0.00 C ATOM 1524 C GLU A 128 84.036 -7.063 -6.126 1.00 0.00 C ATOM 1525 O GLU A 128 85.233 -7.033 -6.085 1.00 0.00 O ATOM 1526 CB GLU A 128 83.979 -4.561 -6.346 1.00 0.00 C ATOM 1527 CG GLU A 128 83.600 -4.118 -7.760 1.00 0.00 C ATOM 1528 CD GLU A 128 82.270 -3.363 -7.719 1.00 0.00 C ATOM 1529 OE1 GLU A 128 82.223 -2.319 -7.089 1.00 0.00 O ATOM 1530 OE2 GLU A 128 81.321 -3.841 -8.320 1.00 0.00 O ATOM 0 H GLU A 128 83.409 -5.919 -3.853 1.00 0.00 H new ATOM 0 HA GLU A 128 82.306 -5.959 -6.614 1.00 0.00 H new ATOM 0 HB2 GLU A 128 83.781 -3.758 -5.636 1.00 0.00 H new ATOM 0 HB3 GLU A 128 85.046 -4.776 -6.294 1.00 0.00 H new ATOM 0 HG2 GLU A 128 84.380 -3.479 -8.174 1.00 0.00 H new ATOM 0 HG3 GLU A 128 83.518 -4.986 -8.415 1.00 0.00 H new ATOM 1537 N GLY A 129 83.419 -8.159 -6.352 1.00 0.00 N ATOM 1538 CA GLY A 129 84.176 -9.419 -6.580 1.00 0.00 C ATOM 1539 C GLY A 129 84.377 -10.189 -5.286 1.00 0.00 C ATOM 1540 O GLY A 129 85.109 -9.775 -4.409 1.00 0.00 O ATOM 0 H GLY A 129 82.404 -8.254 -6.392 1.00 0.00 H new ATOM 0 HA2 GLY A 129 83.640 -10.042 -7.296 1.00 0.00 H new ATOM 0 HA3 GLY A 129 85.145 -9.188 -7.021 1.00 0.00 H new ATOM 1544 N ARG A 130 83.753 -11.324 -5.173 1.00 0.00 N ATOM 1545 CA ARG A 130 83.934 -12.142 -3.948 1.00 0.00 C ATOM 1546 C ARG A 130 84.051 -13.622 -4.318 1.00 0.00 C ATOM 1547 O ARG A 130 84.022 -13.986 -5.477 1.00 0.00 O ATOM 1548 CB ARG A 130 82.687 -11.899 -3.098 1.00 0.00 C ATOM 1549 CG ARG A 130 81.444 -11.875 -3.990 1.00 0.00 C ATOM 1550 CD ARG A 130 80.286 -12.568 -3.266 1.00 0.00 C ATOM 1551 NE ARG A 130 79.304 -12.892 -4.338 1.00 0.00 N ATOM 1552 CZ ARG A 130 78.058 -13.128 -4.031 1.00 0.00 C ATOM 1553 NH1 ARG A 130 77.464 -12.410 -3.117 1.00 0.00 N ATOM 1554 NH2 ARG A 130 77.405 -14.083 -4.637 1.00 0.00 N ATOM 0 H ARG A 130 83.127 -11.720 -5.874 1.00 0.00 H new ATOM 0 HA ARG A 130 84.842 -11.871 -3.409 1.00 0.00 H new ATOM 0 HB2 ARG A 130 82.591 -12.682 -2.346 1.00 0.00 H new ATOM 0 HB3 ARG A 130 82.780 -10.954 -2.563 1.00 0.00 H new ATOM 0 HG2 ARG A 130 81.174 -10.846 -4.230 1.00 0.00 H new ATOM 0 HG3 ARG A 130 81.651 -12.379 -4.934 1.00 0.00 H new ATOM 0 HD2 ARG A 130 80.623 -13.469 -2.753 1.00 0.00 H new ATOM 0 HD3 ARG A 130 79.846 -11.917 -2.511 1.00 0.00 H new ATOM 0 HE ARG A 130 79.605 -12.929 -5.312 1.00 0.00 H new ATOM 0 HH11 ARG A 130 77.974 -11.665 -2.643 1.00 0.00 H new ATOM 0 HH12 ARG A 130 76.490 -12.594 -2.877 1.00 0.00 H new ATOM 0 HH21 ARG A 130 77.869 -14.645 -5.351 1.00 0.00 H new ATOM 0 HH22 ARG A 130 76.431 -14.267 -4.397 1.00 0.00 H new ATOM 1568 N LYS A 131 84.183 -14.476 -3.344 1.00 0.00 N ATOM 1569 CA LYS A 131 84.302 -15.933 -3.642 1.00 0.00 C ATOM 1570 C LYS A 131 83.911 -16.760 -2.415 1.00 0.00 C ATOM 1571 O LYS A 131 83.925 -17.976 -2.516 1.00 0.00 O ATOM 1572 CB LYS A 131 85.776 -16.145 -3.986 1.00 0.00 C ATOM 1573 CG LYS A 131 86.651 -15.419 -2.963 1.00 0.00 C ATOM 1574 CD LYS A 131 87.359 -14.244 -3.640 1.00 0.00 C ATOM 1575 CE LYS A 131 88.093 -14.740 -4.887 1.00 0.00 C ATOM 1576 NZ LYS A 131 89.458 -14.150 -4.786 1.00 0.00 N ATOM 1577 OXT LYS A 131 83.606 -16.164 -1.396 1.00 0.00 O ATOM 0 H LYS A 131 84.214 -14.231 -2.354 1.00 0.00 H new ATOM 0 HA LYS A 131 83.644 -16.244 -4.454 1.00 0.00 H new ATOM 0 HB2 LYS A 131 86.010 -17.210 -3.989 1.00 0.00 H new ATOM 0 HB3 LYS A 131 85.984 -15.770 -4.988 1.00 0.00 H new ATOM 0 HG2 LYS A 131 86.040 -15.061 -2.135 1.00 0.00 H new ATOM 0 HG3 LYS A 131 87.385 -16.107 -2.543 1.00 0.00 H new ATOM 0 HD2 LYS A 131 86.634 -13.477 -3.913 1.00 0.00 H new ATOM 0 HD3 LYS A 131 88.065 -13.784 -2.949 1.00 0.00 H new ATOM 0 HE2 LYS A 131 88.134 -15.829 -4.915 1.00 0.00 H new ATOM 0 HE3 LYS A 131 87.589 -14.417 -5.798 1.00 0.00 H new ATOM 0 HZ1 LYS A 131 90.025 -14.444 -5.607 1.00 0.00 H new ATOM 0 HZ2 LYS A 131 89.387 -13.113 -4.768 1.00 0.00 H new ATOM 0 HZ3 LYS A 131 89.916 -14.481 -3.913 1.00 0.00 H new TER 1591 LYS A 131