USER MOD reduce.3.24.130724 H: found=0, std=0, add=795, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 798 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 106 GLN : amide:sc= -0.306 K(o=0.87,f=-4.8) USER MOD Set 1.2: A 107 LYS NZ :NH3+ -147:sc= 1.65 (180deg=-0.0922) USER MOD Set 1.3: A 110 GLN : amide:sc= -0.475 K(o=0.87,f=-6.5) USER MOD Set 2.1: A 50 LYS NZ :NH3+ 166:sc= 0.253 (180deg=-0.105) USER MOD Set 2.2: A 112 SER OG : rot 59:sc= 1.09 USER MOD Set 3.1: A 19 THR OG1 : rot 152:sc= 1.24 USER MOD Set 3.2: A 87 ASN : amide:sc= 1.02 K(o=2.3,f=-1.7) USER MOD Single : A 18 ASN : amide:sc= -0.18 K(o=-0.18,f=0.98) USER MOD Single : A 21 THR OG1 : rot 160:sc= -2.27! USER MOD Single : A 22 GLN : amide:sc= -0.0317 K(o=-0.032,f=-3.2!) USER MOD Single : A 25 HIS : no HD1:sc= -3.15! C(o=-3.1!,f=-2.8!) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 HIS : no HD1:sc= 1.13 K(o=1.1,f=-4.4!) USER MOD Single : A 35 THR OG1 : rot 83:sc= 0.559 USER MOD Single : A 36 HIS : no HD1:sc= -0.987 K(o=-0.99,f=0.3) USER MOD Single : A 43 LYS NZ :NH3+ -150:sc= -1.39 (180deg=-3.17!) USER MOD Single : A 44 THR OG1 : rot 164:sc= 1.23 USER MOD Single : A 46 ASN : amide:sc= -0.944 K(o=-0.94,f=-3.2!) USER MOD Single : A 47 LYS NZ :NH3+ -155:sc= -0.874! (180deg=-2.89!) USER MOD Single : A 58 THR OG1 : rot 180:sc= -0.011 USER MOD Single : A 60 SER OG : rot 61:sc= 0.469 USER MOD Single : A 67 SER OG : rot -75:sc= 0.5 USER MOD Single : A 70 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 76 LYS NZ :NH3+ 137:sc= 0.219 (180deg=-0.406) USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 THR OG1 : rot 67:sc= 1.29 USER MOD Single : A 100 LYS NZ :NH3+ -147:sc= 1.19 (180deg=-0.267!) USER MOD Single : A 103 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0137) USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 18 12.028 13.004 4.584 1.00 0.00 N ATOM 2 CA ASN A 18 11.294 11.780 4.284 1.00 0.00 C ATOM 3 C ASN A 18 11.300 11.503 2.790 1.00 0.00 C ATOM 4 O ASN A 18 10.446 11.996 2.045 1.00 0.00 O ATOM 5 CB ASN A 18 9.858 11.845 4.815 1.00 0.00 C ATOM 6 CG ASN A 18 9.778 11.943 6.322 1.00 0.00 C ATOM 7 OD1 ASN A 18 10.657 12.500 6.966 1.00 0.00 O ATOM 8 ND2 ASN A 18 8.739 11.399 6.898 1.00 0.00 N ATOM 0 HA ASN A 18 11.799 10.958 4.791 1.00 0.00 H new ATOM 0 HB2 ASN A 18 9.355 12.706 4.375 1.00 0.00 H new ATOM 0 HB3 ASN A 18 9.317 10.958 4.487 1.00 0.00 H new ATOM 0 HD21 ASN A 18 8.643 11.431 7.913 1.00 0.00 H new ATOM 0 HD22 ASN A 18 8.023 10.942 6.333 1.00 0.00 H new ATOM 17 N THR A 19 12.298 10.780 2.333 1.00 0.00 N ATOM 18 CA THR A 19 12.432 10.443 0.927 1.00 0.00 C ATOM 19 C THR A 19 11.527 9.274 0.521 1.00 0.00 C ATOM 20 O THR A 19 10.915 9.281 -0.554 1.00 0.00 O ATOM 21 CB THR A 19 13.901 10.115 0.586 1.00 0.00 C ATOM 22 OG1 THR A 19 14.455 9.280 1.620 1.00 0.00 O ATOM 23 CG2 THR A 19 14.731 11.375 0.458 1.00 0.00 C ATOM 0 H THR A 19 13.042 10.407 2.923 1.00 0.00 H new ATOM 0 HA THR A 19 12.115 11.318 0.359 1.00 0.00 H new ATOM 0 HB THR A 19 13.922 9.594 -0.371 1.00 0.00 H new ATOM 0 HG1 THR A 19 15.160 8.715 1.241 1.00 0.00 H new ATOM 0 HG21 THR A 19 15.760 11.110 0.217 1.00 0.00 H new ATOM 0 HG22 THR A 19 14.323 12.001 -0.336 1.00 0.00 H new ATOM 0 HG23 THR A 19 14.708 11.923 1.400 1.00 0.00 H new ATOM 31 N ALA A 20 11.422 8.298 1.397 1.00 0.00 N ATOM 32 CA ALA A 20 10.687 7.083 1.119 1.00 0.00 C ATOM 33 C ALA A 20 9.202 7.330 1.021 1.00 0.00 C ATOM 34 O ALA A 20 8.544 6.863 0.082 1.00 0.00 O ATOM 35 CB ALA A 20 10.974 6.056 2.163 1.00 0.00 C ATOM 0 H ALA A 20 11.845 8.325 2.325 1.00 0.00 H new ATOM 0 HA ALA A 20 11.020 6.713 0.149 1.00 0.00 H new ATOM 0 HB1 ALA A 20 10.415 5.147 1.942 1.00 0.00 H new ATOM 0 HB2 ALA A 20 12.041 5.833 2.171 1.00 0.00 H new ATOM 0 HB3 ALA A 20 10.676 6.437 3.140 1.00 0.00 H new ATOM 41 N THR A 21 8.678 8.092 1.957 1.00 0.00 N ATOM 42 CA THR A 21 7.267 8.396 1.982 1.00 0.00 C ATOM 43 C THR A 21 6.889 9.222 0.760 1.00 0.00 C ATOM 44 O THR A 21 5.797 9.105 0.239 1.00 0.00 O ATOM 45 CB THR A 21 6.902 9.151 3.259 1.00 0.00 C ATOM 46 OG1 THR A 21 7.737 10.301 3.363 1.00 0.00 O ATOM 47 CG2 THR A 21 7.115 8.273 4.479 1.00 0.00 C ATOM 0 H THR A 21 9.214 8.514 2.715 1.00 0.00 H new ATOM 0 HA THR A 21 6.711 7.459 1.964 1.00 0.00 H new ATOM 0 HB THR A 21 5.852 9.440 3.215 1.00 0.00 H new ATOM 0 HG1 THR A 21 7.324 10.951 3.969 1.00 0.00 H new ATOM 0 HG21 THR A 21 6.849 8.829 5.378 1.00 0.00 H new ATOM 0 HG22 THR A 21 6.487 7.385 4.403 1.00 0.00 H new ATOM 0 HG23 THR A 21 8.162 7.973 4.533 1.00 0.00 H new ATOM 55 N GLN A 22 7.846 10.021 0.290 1.00 0.00 N ATOM 56 CA GLN A 22 7.685 10.850 -0.889 1.00 0.00 C ATOM 57 C GLN A 22 7.435 9.975 -2.119 1.00 0.00 C ATOM 58 O GLN A 22 6.599 10.297 -2.968 1.00 0.00 O ATOM 59 CB GLN A 22 8.919 11.781 -1.037 1.00 0.00 C ATOM 60 CG GLN A 22 8.934 12.726 -2.247 1.00 0.00 C ATOM 61 CD GLN A 22 9.747 12.202 -3.430 1.00 0.00 C ATOM 62 OE1 GLN A 22 9.865 10.993 -3.652 1.00 0.00 O ATOM 63 NE2 GLN A 22 10.306 13.106 -4.195 1.00 0.00 N ATOM 0 H GLN A 22 8.763 10.107 0.727 1.00 0.00 H new ATOM 0 HA GLN A 22 6.810 11.491 -0.787 1.00 0.00 H new ATOM 0 HB2 GLN A 22 8.999 12.385 -0.133 1.00 0.00 H new ATOM 0 HB3 GLN A 22 9.811 11.157 -1.083 1.00 0.00 H new ATOM 0 HG2 GLN A 22 7.908 12.901 -2.572 1.00 0.00 H new ATOM 0 HG3 GLN A 22 9.339 13.690 -1.938 1.00 0.00 H new ATOM 0 HE21 GLN A 22 10.188 14.097 -3.983 1.00 0.00 H new ATOM 0 HE22 GLN A 22 10.859 12.819 -5.003 1.00 0.00 H new ATOM 72 N ARG A 23 8.103 8.843 -2.169 1.00 0.00 N ATOM 73 CA ARG A 23 7.957 7.919 -3.275 1.00 0.00 C ATOM 74 C ARG A 23 6.688 7.077 -3.103 1.00 0.00 C ATOM 75 O ARG A 23 6.103 6.599 -4.070 1.00 0.00 O ATOM 76 CB ARG A 23 9.193 7.039 -3.370 1.00 0.00 C ATOM 77 CG ARG A 23 9.298 6.236 -4.654 1.00 0.00 C ATOM 78 CD ARG A 23 10.595 5.458 -4.692 1.00 0.00 C ATOM 79 NE ARG A 23 11.752 6.342 -4.477 1.00 0.00 N ATOM 80 CZ ARG A 23 13.012 5.939 -4.330 1.00 0.00 C ATOM 81 NH1 ARG A 23 13.347 4.679 -4.577 1.00 0.00 N ATOM 82 NH2 ARG A 23 13.941 6.815 -3.983 1.00 0.00 N ATOM 0 H ARG A 23 8.759 8.538 -1.450 1.00 0.00 H new ATOM 0 HA ARG A 23 7.859 8.480 -4.205 1.00 0.00 H new ATOM 0 HB2 ARG A 23 10.079 7.667 -3.276 1.00 0.00 H new ATOM 0 HB3 ARG A 23 9.199 6.351 -2.525 1.00 0.00 H new ATOM 0 HG2 ARG A 23 8.454 5.550 -4.730 1.00 0.00 H new ATOM 0 HG3 ARG A 23 9.244 6.905 -5.513 1.00 0.00 H new ATOM 0 HD2 ARG A 23 10.579 4.682 -3.926 1.00 0.00 H new ATOM 0 HD3 ARG A 23 10.692 4.955 -5.654 1.00 0.00 H new ATOM 0 HE ARG A 23 11.574 7.346 -4.437 1.00 0.00 H new ATOM 0 HH11 ARG A 23 12.637 4.013 -4.881 1.00 0.00 H new ATOM 0 HH12 ARG A 23 14.314 4.377 -4.462 1.00 0.00 H new ATOM 0 HH21 ARG A 23 13.689 7.792 -3.830 1.00 0.00 H new ATOM 0 HH22 ARG A 23 14.909 6.514 -3.868 1.00 0.00 H new ATOM 96 N PHE A 24 6.258 6.927 -1.871 1.00 0.00 N ATOM 97 CA PHE A 24 5.060 6.158 -1.562 1.00 0.00 C ATOM 98 C PHE A 24 3.816 7.037 -1.391 1.00 0.00 C ATOM 99 O PHE A 24 2.769 6.550 -0.965 1.00 0.00 O ATOM 100 CB PHE A 24 5.271 5.223 -0.341 1.00 0.00 C ATOM 101 CG PHE A 24 6.043 3.939 -0.638 1.00 0.00 C ATOM 102 CD1 PHE A 24 6.615 3.716 -1.892 1.00 0.00 C ATOM 103 CD2 PHE A 24 6.167 2.936 0.329 1.00 0.00 C ATOM 104 CE1 PHE A 24 7.284 2.545 -2.172 1.00 0.00 C ATOM 105 CE2 PHE A 24 6.844 1.769 0.038 1.00 0.00 C ATOM 106 CZ PHE A 24 7.396 1.571 -1.209 1.00 0.00 C ATOM 0 H PHE A 24 6.720 7.329 -1.056 1.00 0.00 H new ATOM 0 HA PHE A 24 4.874 5.526 -2.431 1.00 0.00 H new ATOM 0 HB2 PHE A 24 5.801 5.777 0.434 1.00 0.00 H new ATOM 0 HB3 PHE A 24 4.296 4.957 0.067 1.00 0.00 H new ATOM 0 HD1 PHE A 24 6.531 4.475 -2.656 1.00 0.00 H new ATOM 0 HD2 PHE A 24 5.731 3.075 1.307 1.00 0.00 H new ATOM 0 HE1 PHE A 24 7.720 2.392 -3.148 1.00 0.00 H new ATOM 0 HE2 PHE A 24 6.942 1.004 0.794 1.00 0.00 H new ATOM 0 HZ PHE A 24 7.916 0.651 -1.429 1.00 0.00 H new ATOM 116 N HIS A 25 3.908 8.313 -1.793 1.00 0.00 N ATOM 117 CA HIS A 25 2.756 9.231 -1.685 1.00 0.00 C ATOM 118 C HIS A 25 1.590 8.751 -2.520 1.00 0.00 C ATOM 119 O HIS A 25 0.456 8.806 -2.078 1.00 0.00 O ATOM 120 CB HIS A 25 3.083 10.698 -2.049 1.00 0.00 C ATOM 121 CG HIS A 25 3.840 11.469 -1.018 1.00 0.00 C ATOM 122 ND1 HIS A 25 4.716 12.484 -1.330 1.00 0.00 N ATOM 123 CD2 HIS A 25 3.799 11.420 0.328 1.00 0.00 C ATOM 124 CE1 HIS A 25 5.177 13.020 -0.223 1.00 0.00 C ATOM 125 NE2 HIS A 25 4.638 12.395 0.797 1.00 0.00 N ATOM 0 H HIS A 25 4.750 8.731 -2.189 1.00 0.00 H new ATOM 0 HA HIS A 25 2.486 9.219 -0.629 1.00 0.00 H new ATOM 0 HB2 HIS A 25 3.658 10.703 -2.975 1.00 0.00 H new ATOM 0 HB3 HIS A 25 2.148 11.220 -2.252 1.00 0.00 H new ATOM 0 HD2 HIS A 25 3.213 10.738 0.926 1.00 0.00 H new ATOM 0 HE1 HIS A 25 5.881 13.837 -0.163 1.00 0.00 H new ATOM 0 HE2 HIS A 25 4.815 12.602 1.780 1.00 0.00 H new ATOM 134 N GLU A 26 1.885 8.237 -3.710 1.00 0.00 N ATOM 135 CA GLU A 26 0.848 7.733 -4.614 1.00 0.00 C ATOM 136 C GLU A 26 0.101 6.567 -3.981 1.00 0.00 C ATOM 137 O GLU A 26 -1.112 6.439 -4.122 1.00 0.00 O ATOM 138 CB GLU A 26 1.436 7.318 -5.975 1.00 0.00 C ATOM 139 CG GLU A 26 0.382 6.787 -6.948 1.00 0.00 C ATOM 140 CD GLU A 26 0.928 6.450 -8.307 1.00 0.00 C ATOM 141 OE1 GLU A 26 1.050 7.365 -9.145 1.00 0.00 O ATOM 142 OE2 GLU A 26 1.219 5.264 -8.580 1.00 0.00 O ATOM 0 H GLU A 26 2.834 8.157 -4.074 1.00 0.00 H new ATOM 0 HA GLU A 26 0.143 8.546 -4.789 1.00 0.00 H new ATOM 0 HB2 GLU A 26 1.937 8.176 -6.424 1.00 0.00 H new ATOM 0 HB3 GLU A 26 2.195 6.552 -5.818 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -0.078 5.896 -6.520 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -0.406 7.532 -7.058 1.00 0.00 H new ATOM 149 N ILE A 27 0.814 5.764 -3.230 1.00 0.00 N ATOM 150 CA ILE A 27 0.215 4.603 -2.622 1.00 0.00 C ATOM 151 C ILE A 27 -0.645 5.037 -1.431 1.00 0.00 C ATOM 152 O ILE A 27 -1.717 4.482 -1.178 1.00 0.00 O ATOM 153 CB ILE A 27 1.252 3.495 -2.205 1.00 0.00 C ATOM 154 CG1 ILE A 27 2.059 2.944 -3.416 1.00 0.00 C ATOM 155 CG2 ILE A 27 0.534 2.343 -1.528 1.00 0.00 C ATOM 156 CD1 ILE A 27 3.118 3.869 -3.988 1.00 0.00 C ATOM 0 H ILE A 27 1.805 5.892 -3.026 1.00 0.00 H new ATOM 0 HA ILE A 27 -0.412 4.133 -3.380 1.00 0.00 H new ATOM 0 HB ILE A 27 1.957 3.965 -1.519 1.00 0.00 H new ATOM 0 HG12 ILE A 27 2.542 2.015 -3.113 1.00 0.00 H new ATOM 0 HG13 ILE A 27 1.357 2.693 -4.211 1.00 0.00 H new ATOM 0 HG21 ILE A 27 1.258 1.580 -1.242 1.00 0.00 H new ATOM 0 HG22 ILE A 27 0.020 2.707 -0.638 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -0.193 1.913 -2.216 1.00 0.00 H new ATOM 0 HD11 ILE A 27 3.614 3.380 -4.826 1.00 0.00 H new ATOM 0 HD12 ILE A 27 2.649 4.791 -4.332 1.00 0.00 H new ATOM 0 HD13 ILE A 27 3.852 4.102 -3.217 1.00 0.00 H new ATOM 168 N GLU A 28 -0.195 6.069 -0.734 1.00 0.00 N ATOM 169 CA GLU A 28 -0.973 6.636 0.353 1.00 0.00 C ATOM 170 C GLU A 28 -2.250 7.280 -0.214 1.00 0.00 C ATOM 171 O GLU A 28 -3.314 7.219 0.399 1.00 0.00 O ATOM 172 CB GLU A 28 -0.148 7.632 1.179 1.00 0.00 C ATOM 173 CG GLU A 28 -0.915 8.238 2.351 1.00 0.00 C ATOM 174 CD GLU A 28 -0.081 9.164 3.187 1.00 0.00 C ATOM 175 OE1 GLU A 28 0.385 10.199 2.668 1.00 0.00 O ATOM 176 OE2 GLU A 28 0.101 8.900 4.402 1.00 0.00 O ATOM 0 H GLU A 28 0.700 6.528 -0.901 1.00 0.00 H new ATOM 0 HA GLU A 28 -1.260 5.837 1.036 1.00 0.00 H new ATOM 0 HB2 GLU A 28 0.740 7.128 1.559 1.00 0.00 H new ATOM 0 HB3 GLU A 28 0.196 8.435 0.527 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -1.779 8.782 1.969 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -1.297 7.435 2.981 1.00 0.00 H new ATOM 183 N LYS A 29 -2.139 7.861 -1.404 1.00 0.00 N ATOM 184 CA LYS A 29 -3.300 8.419 -2.100 1.00 0.00 C ATOM 185 C LYS A 29 -4.305 7.318 -2.393 1.00 0.00 C ATOM 186 O LYS A 29 -5.498 7.508 -2.207 1.00 0.00 O ATOM 187 CB LYS A 29 -2.895 9.126 -3.390 1.00 0.00 C ATOM 188 CG LYS A 29 -2.002 10.322 -3.170 1.00 0.00 C ATOM 189 CD LYS A 29 -1.542 10.920 -4.482 1.00 0.00 C ATOM 190 CE LYS A 29 -0.619 12.089 -4.234 1.00 0.00 C ATOM 191 NZ LYS A 29 -0.090 12.656 -5.481 1.00 0.00 N ATOM 0 H LYS A 29 -1.258 7.959 -1.909 1.00 0.00 H new ATOM 0 HA LYS A 29 -3.759 9.162 -1.449 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -2.383 8.415 -4.038 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -3.794 9.447 -3.916 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -2.538 11.076 -2.593 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -1.135 10.026 -2.580 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -1.028 10.162 -5.074 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -2.405 11.247 -5.062 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -1.156 12.863 -3.685 1.00 0.00 H new ATOM 0 HE3 LYS A 29 0.210 11.767 -3.603 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 0.538 13.455 -5.260 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 0.445 11.927 -5.994 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -0.878 12.988 -6.073 1.00 0.00 H new ATOM 205 N PHE A 30 -3.802 6.151 -2.811 1.00 0.00 N ATOM 206 CA PHE A 30 -4.642 4.970 -3.029 1.00 0.00 C ATOM 207 C PHE A 30 -5.375 4.586 -1.770 1.00 0.00 C ATOM 208 O PHE A 30 -6.550 4.267 -1.810 1.00 0.00 O ATOM 209 CB PHE A 30 -3.834 3.774 -3.495 1.00 0.00 C ATOM 210 CG PHE A 30 -3.745 3.621 -4.985 1.00 0.00 C ATOM 211 CD1 PHE A 30 -2.946 4.453 -5.746 1.00 0.00 C ATOM 212 CD2 PHE A 30 -4.475 2.626 -5.624 1.00 0.00 C ATOM 213 CE1 PHE A 30 -2.872 4.302 -7.118 1.00 0.00 C ATOM 214 CE2 PHE A 30 -4.407 2.469 -6.993 1.00 0.00 C ATOM 215 CZ PHE A 30 -3.606 3.309 -7.743 1.00 0.00 C ATOM 0 H PHE A 30 -2.812 6.000 -3.006 1.00 0.00 H new ATOM 0 HA PHE A 30 -5.354 5.243 -3.808 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -2.825 3.854 -3.091 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -4.274 2.869 -3.076 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -2.373 5.230 -5.263 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -5.103 1.968 -5.042 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -2.243 4.958 -7.701 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -4.979 1.691 -7.478 1.00 0.00 H new ATOM 0 HZ PHE A 30 -3.553 3.191 -8.815 1.00 0.00 H new ATOM 225 N LEU A 31 -4.671 4.636 -0.664 1.00 0.00 N ATOM 226 CA LEU A 31 -5.223 4.328 0.647 1.00 0.00 C ATOM 227 C LEU A 31 -6.416 5.255 0.948 1.00 0.00 C ATOM 228 O LEU A 31 -7.503 4.802 1.369 1.00 0.00 O ATOM 229 CB LEU A 31 -4.114 4.501 1.695 1.00 0.00 C ATOM 230 CG LEU A 31 -4.470 4.241 3.156 1.00 0.00 C ATOM 231 CD1 LEU A 31 -4.894 2.804 3.356 1.00 0.00 C ATOM 232 CD2 LEU A 31 -3.284 4.574 4.044 1.00 0.00 C ATOM 0 H LEU A 31 -3.685 4.895 -0.642 1.00 0.00 H new ATOM 0 HA LEU A 31 -5.586 3.300 0.672 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -3.293 3.836 1.427 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -3.737 5.521 1.618 1.00 0.00 H new ATOM 0 HG LEU A 31 -5.308 4.882 3.430 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -5.143 2.641 4.404 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -5.767 2.593 2.738 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -4.078 2.141 3.070 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -3.545 4.386 5.085 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -2.434 3.951 3.765 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -3.020 5.624 3.920 1.00 0.00 H new ATOM 244 N LEU A 32 -6.227 6.539 0.677 1.00 0.00 N ATOM 245 CA LEU A 32 -7.281 7.533 0.882 1.00 0.00 C ATOM 246 C LEU A 32 -8.410 7.246 -0.081 1.00 0.00 C ATOM 247 O LEU A 32 -9.590 7.243 0.282 1.00 0.00 O ATOM 248 CB LEU A 32 -6.763 8.944 0.614 1.00 0.00 C ATOM 249 CG LEU A 32 -5.439 9.302 1.261 1.00 0.00 C ATOM 250 CD1 LEU A 32 -5.012 10.712 0.875 1.00 0.00 C ATOM 251 CD2 LEU A 32 -5.485 9.142 2.777 1.00 0.00 C ATOM 0 H LEU A 32 -5.354 6.921 0.314 1.00 0.00 H new ATOM 0 HA LEU A 32 -7.620 7.473 1.916 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -6.665 9.075 -0.464 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -7.515 9.656 0.954 1.00 0.00 H new ATOM 0 HG LEU A 32 -4.693 8.602 0.885 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -4.060 10.947 1.351 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -4.902 10.775 -0.208 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -5.768 11.424 1.205 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -4.517 9.409 3.201 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -6.254 9.796 3.189 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -5.718 8.107 3.027 1.00 0.00 H new ATOM 263 N HIS A 33 -8.011 6.935 -1.290 1.00 0.00 N ATOM 264 CA HIS A 33 -8.917 6.612 -2.389 1.00 0.00 C ATOM 265 C HIS A 33 -9.821 5.437 -2.043 1.00 0.00 C ATOM 266 O HIS A 33 -11.008 5.505 -2.283 1.00 0.00 O ATOM 267 CB HIS A 33 -8.095 6.344 -3.692 1.00 0.00 C ATOM 268 CG HIS A 33 -8.735 5.437 -4.719 1.00 0.00 C ATOM 269 ND1 HIS A 33 -9.747 5.818 -5.555 1.00 0.00 N ATOM 270 CD2 HIS A 33 -8.499 4.129 -4.997 1.00 0.00 C ATOM 271 CE1 HIS A 33 -10.111 4.795 -6.295 1.00 0.00 C ATOM 272 NE2 HIS A 33 -9.367 3.760 -5.974 1.00 0.00 N ATOM 0 H HIS A 33 -7.026 6.896 -1.553 1.00 0.00 H new ATOM 0 HA HIS A 33 -9.571 7.467 -2.562 1.00 0.00 H new ATOM 0 HB2 HIS A 33 -7.886 7.303 -4.167 1.00 0.00 H new ATOM 0 HB3 HIS A 33 -7.135 5.913 -3.407 1.00 0.00 H new ATOM 0 HD2 HIS A 33 -7.758 3.499 -4.528 1.00 0.00 H new ATOM 0 HE1 HIS A 33 -10.891 4.803 -7.042 1.00 0.00 H new ATOM 0 HE2 HIS A 33 -9.431 2.831 -6.391 1.00 0.00 H new ATOM 281 N ILE A 34 -9.266 4.397 -1.459 1.00 0.00 N ATOM 282 CA ILE A 34 -10.028 3.233 -1.083 1.00 0.00 C ATOM 283 C ILE A 34 -11.069 3.607 -0.028 1.00 0.00 C ATOM 284 O ILE A 34 -12.225 3.283 -0.168 1.00 0.00 O ATOM 285 CB ILE A 34 -9.079 2.104 -0.588 1.00 0.00 C ATOM 286 CG1 ILE A 34 -8.173 1.665 -1.746 1.00 0.00 C ATOM 287 CG2 ILE A 34 -9.858 0.911 -0.034 1.00 0.00 C ATOM 288 CD1 ILE A 34 -7.002 0.816 -1.330 1.00 0.00 C ATOM 0 H ILE A 34 -8.273 4.338 -1.233 1.00 0.00 H new ATOM 0 HA ILE A 34 -10.561 2.852 -1.954 1.00 0.00 H new ATOM 0 HB ILE A 34 -8.471 2.495 0.228 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -8.771 1.110 -2.469 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -7.800 2.553 -2.256 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -9.159 0.144 0.301 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -10.471 1.236 0.807 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -10.499 0.501 -0.814 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -6.415 0.550 -2.209 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -6.378 1.374 -0.632 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -7.364 -0.092 -0.848 1.00 0.00 H new ATOM 300 N THR A 35 -10.662 4.358 0.970 1.00 0.00 N ATOM 301 CA THR A 35 -11.572 4.791 2.025 1.00 0.00 C ATOM 302 C THR A 35 -12.711 5.714 1.443 1.00 0.00 C ATOM 303 O THR A 35 -13.921 5.563 1.781 1.00 0.00 O ATOM 304 CB THR A 35 -10.768 5.535 3.092 1.00 0.00 C ATOM 305 OG1 THR A 35 -9.571 4.778 3.377 1.00 0.00 O ATOM 306 CG2 THR A 35 -11.564 5.684 4.375 1.00 0.00 C ATOM 0 H THR A 35 -9.703 4.687 1.080 1.00 0.00 H new ATOM 0 HA THR A 35 -12.053 3.919 2.469 1.00 0.00 H new ATOM 0 HB THR A 35 -10.526 6.529 2.716 1.00 0.00 H new ATOM 0 HG1 THR A 35 -8.886 4.985 2.708 1.00 0.00 H new ATOM 0 HG21 THR A 35 -10.966 6.217 5.114 1.00 0.00 H new ATOM 0 HG22 THR A 35 -12.477 6.245 4.174 1.00 0.00 H new ATOM 0 HG23 THR A 35 -11.822 4.697 4.760 1.00 0.00 H new ATOM 314 N HIS A 36 -12.324 6.632 0.544 1.00 0.00 N ATOM 315 CA HIS A 36 -13.288 7.513 -0.149 1.00 0.00 C ATOM 316 C HIS A 36 -14.258 6.684 -0.968 1.00 0.00 C ATOM 317 O HIS A 36 -15.467 6.915 -0.952 1.00 0.00 O ATOM 318 CB HIS A 36 -12.589 8.527 -1.084 1.00 0.00 C ATOM 319 CG HIS A 36 -12.013 9.750 -0.422 1.00 0.00 C ATOM 320 ND1 HIS A 36 -12.552 11.004 -0.587 1.00 0.00 N ATOM 321 CD2 HIS A 36 -10.921 9.922 0.356 1.00 0.00 C ATOM 322 CE1 HIS A 36 -11.823 11.883 0.055 1.00 0.00 C ATOM 323 NE2 HIS A 36 -10.825 11.256 0.638 1.00 0.00 N ATOM 0 H HIS A 36 -11.352 6.787 0.277 1.00 0.00 H new ATOM 0 HA HIS A 36 -13.819 8.069 0.624 1.00 0.00 H new ATOM 0 HB2 HIS A 36 -11.786 8.011 -1.610 1.00 0.00 H new ATOM 0 HB3 HIS A 36 -13.307 8.851 -1.837 1.00 0.00 H new ATOM 0 HD2 HIS A 36 -10.248 9.148 0.693 1.00 0.00 H new ATOM 0 HE1 HIS A 36 -12.011 12.946 0.098 1.00 0.00 H new ATOM 0 HE2 HIS A 36 -10.099 11.693 1.206 1.00 0.00 H new ATOM 332 N GLU A 37 -13.710 5.694 -1.647 1.00 0.00 N ATOM 333 CA GLU A 37 -14.444 4.796 -2.484 1.00 0.00 C ATOM 334 C GLU A 37 -15.441 3.991 -1.644 1.00 0.00 C ATOM 335 O GLU A 37 -16.500 3.660 -2.117 1.00 0.00 O ATOM 336 CB GLU A 37 -13.478 3.872 -3.217 1.00 0.00 C ATOM 337 CG GLU A 37 -14.045 3.235 -4.461 1.00 0.00 C ATOM 338 CD GLU A 37 -14.309 4.249 -5.540 1.00 0.00 C ATOM 339 OE1 GLU A 37 -13.406 4.508 -6.356 1.00 0.00 O ATOM 340 OE2 GLU A 37 -15.413 4.808 -5.587 1.00 0.00 O ATOM 0 H GLU A 37 -12.710 5.496 -1.623 1.00 0.00 H new ATOM 0 HA GLU A 37 -15.006 5.367 -3.223 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -12.587 4.439 -3.488 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -13.159 3.085 -2.534 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -13.350 2.482 -4.833 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -14.972 2.718 -4.214 1.00 0.00 H new ATOM 347 N VAL A 38 -15.087 3.711 -0.378 1.00 0.00 N ATOM 348 CA VAL A 38 -15.950 2.977 0.533 1.00 0.00 C ATOM 349 C VAL A 38 -17.208 3.772 0.746 1.00 0.00 C ATOM 350 O VAL A 38 -18.326 3.237 0.667 1.00 0.00 O ATOM 351 CB VAL A 38 -15.280 2.704 1.928 1.00 0.00 C ATOM 352 CG1 VAL A 38 -16.265 2.054 2.876 1.00 0.00 C ATOM 353 CG2 VAL A 38 -14.075 1.800 1.805 1.00 0.00 C ATOM 0 H VAL A 38 -14.196 3.991 0.031 1.00 0.00 H new ATOM 0 HA VAL A 38 -16.156 2.008 0.079 1.00 0.00 H new ATOM 0 HB VAL A 38 -14.963 3.672 2.317 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -15.781 1.873 3.836 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -17.121 2.713 3.019 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -16.603 1.107 2.456 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -13.641 1.636 2.791 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -14.379 0.844 1.379 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -13.334 2.267 1.156 1.00 0.00 H new ATOM 363 N ASP A 39 -17.029 5.060 0.981 1.00 0.00 N ATOM 364 CA ASP A 39 -18.177 5.932 1.176 1.00 0.00 C ATOM 365 C ASP A 39 -19.008 5.988 -0.098 1.00 0.00 C ATOM 366 O ASP A 39 -20.260 5.853 -0.084 1.00 0.00 O ATOM 367 CB ASP A 39 -17.766 7.355 1.578 1.00 0.00 C ATOM 368 CG ASP A 39 -18.975 8.259 1.832 1.00 0.00 C ATOM 369 OD1 ASP A 39 -19.558 8.813 0.863 1.00 0.00 O ATOM 370 OD2 ASP A 39 -19.360 8.436 3.008 1.00 0.00 O ATOM 0 H ASP A 39 -16.120 5.519 1.041 1.00 0.00 H new ATOM 0 HA ASP A 39 -18.765 5.512 1.992 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -17.151 7.313 2.477 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -17.150 7.789 0.791 1.00 0.00 H new ATOM 375 N ASP A 40 -18.305 6.127 -1.210 1.00 0.00 N ATOM 376 CA ASP A 40 -18.925 6.251 -2.482 1.00 0.00 C ATOM 377 C ASP A 40 -19.722 5.038 -2.811 1.00 0.00 C ATOM 378 O ASP A 40 -20.868 5.161 -3.112 1.00 0.00 O ATOM 379 CB ASP A 40 -17.928 6.562 -3.586 1.00 0.00 C ATOM 380 CG ASP A 40 -18.619 6.821 -4.915 1.00 0.00 C ATOM 381 OD1 ASP A 40 -18.890 5.862 -5.665 1.00 0.00 O ATOM 382 OD2 ASP A 40 -18.912 7.998 -5.231 1.00 0.00 O ATOM 0 H ASP A 40 -17.286 6.155 -1.236 1.00 0.00 H new ATOM 0 HA ASP A 40 -19.604 7.101 -2.419 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -17.338 7.435 -3.307 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -17.234 5.729 -3.694 1.00 0.00 H new ATOM 387 N LEU A 41 -19.154 3.869 -2.624 1.00 0.00 N ATOM 388 CA LEU A 41 -19.822 2.650 -2.980 1.00 0.00 C ATOM 389 C LEU A 41 -21.059 2.439 -2.156 1.00 0.00 C ATOM 390 O LEU A 41 -22.056 1.973 -2.664 1.00 0.00 O ATOM 391 CB LEU A 41 -18.873 1.429 -3.019 1.00 0.00 C ATOM 392 CG LEU A 41 -18.068 1.087 -1.767 1.00 0.00 C ATOM 393 CD1 LEU A 41 -18.896 0.386 -0.726 1.00 0.00 C ATOM 394 CD2 LEU A 41 -16.869 0.267 -2.133 1.00 0.00 C ATOM 0 H LEU A 41 -18.224 3.742 -2.224 1.00 0.00 H new ATOM 0 HA LEU A 41 -20.162 2.757 -4.010 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -19.470 0.554 -3.278 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -18.166 1.585 -3.834 1.00 0.00 H new ATOM 0 HG LEU A 41 -17.738 2.027 -1.325 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -18.277 0.165 0.143 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -19.725 1.028 -0.428 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -19.287 -0.544 -1.138 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -16.302 0.029 -1.233 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -17.193 -0.657 -2.613 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -16.238 0.831 -2.820 1.00 0.00 H new ATOM 406 N GLU A 42 -21.017 2.846 -0.897 1.00 0.00 N ATOM 407 CA GLU A 42 -22.174 2.707 -0.056 1.00 0.00 C ATOM 408 C GLU A 42 -23.312 3.634 -0.441 1.00 0.00 C ATOM 409 O GLU A 42 -24.477 3.339 -0.174 1.00 0.00 O ATOM 410 CB GLU A 42 -21.859 2.766 1.426 1.00 0.00 C ATOM 411 CG GLU A 42 -21.269 1.480 1.953 1.00 0.00 C ATOM 412 CD GLU A 42 -21.046 1.507 3.426 1.00 0.00 C ATOM 413 OE1 GLU A 42 -22.003 1.812 4.188 1.00 0.00 O ATOM 414 OE2 GLU A 42 -19.927 1.181 3.857 1.00 0.00 O ATOM 0 H GLU A 42 -20.203 3.268 -0.449 1.00 0.00 H new ATOM 0 HA GLU A 42 -22.531 1.694 -0.244 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -21.162 3.583 1.612 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -22.771 2.994 1.977 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -21.934 0.653 1.706 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -20.321 1.288 1.450 1.00 0.00 H new ATOM 421 N LYS A 43 -23.007 4.741 -1.072 1.00 0.00 N ATOM 422 CA LYS A 43 -24.082 5.588 -1.536 1.00 0.00 C ATOM 423 C LYS A 43 -24.388 5.395 -3.017 1.00 0.00 C ATOM 424 O LYS A 43 -25.414 5.849 -3.534 1.00 0.00 O ATOM 425 CB LYS A 43 -24.025 7.062 -1.041 1.00 0.00 C ATOM 426 CG LYS A 43 -22.696 7.842 -1.126 1.00 0.00 C ATOM 427 CD LYS A 43 -22.207 8.080 -2.542 1.00 0.00 C ATOM 428 CE LYS A 43 -21.288 9.313 -2.614 1.00 0.00 C ATOM 429 NZ LYS A 43 -20.112 9.268 -1.695 1.00 0.00 N ATOM 0 H LYS A 43 -22.062 5.070 -1.272 1.00 0.00 H new ATOM 0 HA LYS A 43 -24.974 5.227 -1.025 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -24.770 7.624 -1.604 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -24.341 7.069 0.002 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -22.820 8.804 -0.629 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -21.930 7.295 -0.576 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -21.669 7.201 -2.896 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -23.060 8.220 -3.206 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -20.929 9.422 -3.637 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -21.876 10.202 -2.386 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -19.853 10.236 -1.415 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -20.354 8.715 -0.848 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -19.308 8.822 -2.181 1.00 0.00 H new ATOM 443 N THR A 44 -23.491 4.710 -3.661 1.00 0.00 N ATOM 444 CA THR A 44 -23.566 4.340 -5.052 1.00 0.00 C ATOM 445 C THR A 44 -24.312 2.981 -5.262 1.00 0.00 C ATOM 446 O THR A 44 -24.963 2.772 -6.296 1.00 0.00 O ATOM 447 CB THR A 44 -22.117 4.309 -5.610 1.00 0.00 C ATOM 448 OG1 THR A 44 -21.598 5.630 -5.757 1.00 0.00 O ATOM 449 CG2 THR A 44 -21.947 3.547 -6.877 1.00 0.00 C ATOM 0 H THR A 44 -22.640 4.374 -3.210 1.00 0.00 H new ATOM 0 HA THR A 44 -24.157 5.074 -5.600 1.00 0.00 H new ATOM 0 HB THR A 44 -21.544 3.763 -4.861 1.00 0.00 H new ATOM 0 HG1 THR A 44 -20.623 5.590 -5.852 1.00 0.00 H new ATOM 0 HG21 THR A 44 -20.902 3.583 -7.186 1.00 0.00 H new ATOM 0 HG22 THR A 44 -22.243 2.510 -6.720 1.00 0.00 H new ATOM 0 HG23 THR A 44 -22.571 3.989 -7.654 1.00 0.00 H new ATOM 457 N GLY A 45 -24.214 2.076 -4.301 1.00 0.00 N ATOM 458 CA GLY A 45 -24.912 0.802 -4.402 1.00 0.00 C ATOM 459 C GLY A 45 -24.377 -0.251 -3.441 1.00 0.00 C ATOM 460 O GLY A 45 -25.123 -0.785 -2.642 1.00 0.00 O ATOM 0 H GLY A 45 -23.664 2.197 -3.450 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -25.973 0.959 -4.205 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -24.829 0.429 -5.423 1.00 0.00 H new ATOM 464 N ASN A 46 -23.111 -0.609 -3.627 1.00 0.00 N ATOM 465 CA ASN A 46 -22.316 -1.527 -2.766 1.00 0.00 C ATOM 466 C ASN A 46 -22.801 -2.955 -2.810 1.00 0.00 C ATOM 467 O ASN A 46 -22.601 -3.721 -1.867 1.00 0.00 O ATOM 468 CB ASN A 46 -22.058 -1.030 -1.289 1.00 0.00 C ATOM 469 CG ASN A 46 -23.240 -1.025 -0.310 1.00 0.00 C ATOM 470 OD1 ASN A 46 -23.946 -0.036 -0.174 1.00 0.00 O ATOM 471 ND2 ASN A 46 -23.429 -2.116 0.401 1.00 0.00 N ATOM 0 H ASN A 46 -22.569 -0.258 -4.417 1.00 0.00 H new ATOM 0 HA ASN A 46 -21.331 -1.505 -3.232 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -21.273 -1.653 -0.860 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -21.666 -0.014 -1.343 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -24.181 -2.153 1.089 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -22.823 -2.925 0.264 1.00 0.00 H new ATOM 478 N LYS A 47 -23.379 -3.335 -3.937 1.00 0.00 N ATOM 479 CA LYS A 47 -23.855 -4.695 -4.121 1.00 0.00 C ATOM 480 C LYS A 47 -22.668 -5.642 -4.191 1.00 0.00 C ATOM 481 O LYS A 47 -22.589 -6.635 -3.474 1.00 0.00 O ATOM 482 CB LYS A 47 -24.721 -4.873 -5.394 1.00 0.00 C ATOM 483 CG LYS A 47 -26.044 -4.091 -5.433 1.00 0.00 C ATOM 484 CD LYS A 47 -25.879 -2.583 -5.673 1.00 0.00 C ATOM 485 CE LYS A 47 -25.562 -2.206 -7.137 1.00 0.00 C ATOM 486 NZ LYS A 47 -24.325 -2.829 -7.698 1.00 0.00 N ATOM 0 H LYS A 47 -23.530 -2.721 -4.738 1.00 0.00 H new ATOM 0 HA LYS A 47 -24.490 -4.924 -3.265 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -24.124 -4.579 -6.257 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -24.947 -5.933 -5.509 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -26.675 -4.506 -6.219 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -26.570 -4.242 -4.490 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -26.795 -2.076 -5.369 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -25.080 -2.210 -5.032 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -26.409 -2.491 -7.761 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -25.467 -1.122 -7.204 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -23.958 -2.237 -8.470 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -23.606 -2.908 -6.950 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -24.549 -3.776 -8.064 1.00 0.00 H new ATOM 500 N ASP A 48 -21.721 -5.285 -5.029 1.00 0.00 N ATOM 501 CA ASP A 48 -20.505 -6.063 -5.178 1.00 0.00 C ATOM 502 C ASP A 48 -19.326 -5.141 -5.039 1.00 0.00 C ATOM 503 O ASP A 48 -18.217 -5.581 -4.823 1.00 0.00 O ATOM 504 CB ASP A 48 -20.422 -6.767 -6.551 1.00 0.00 C ATOM 505 CG ASP A 48 -19.940 -5.863 -7.669 1.00 0.00 C ATOM 506 OD1 ASP A 48 -20.719 -5.052 -8.167 1.00 0.00 O ATOM 507 OD2 ASP A 48 -18.745 -5.959 -8.067 1.00 0.00 O ATOM 0 H ASP A 48 -21.767 -4.457 -5.622 1.00 0.00 H new ATOM 0 HA ASP A 48 -20.505 -6.834 -4.408 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -19.751 -7.622 -6.471 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -21.406 -7.158 -6.810 1.00 0.00 H new ATOM 512 N GLU A 49 -19.601 -3.844 -5.120 1.00 0.00 N ATOM 513 CA GLU A 49 -18.598 -2.801 -5.119 1.00 0.00 C ATOM 514 C GLU A 49 -17.788 -2.812 -3.848 1.00 0.00 C ATOM 515 O GLU A 49 -16.612 -2.525 -3.868 1.00 0.00 O ATOM 516 CB GLU A 49 -19.208 -1.406 -5.366 1.00 0.00 C ATOM 517 CG GLU A 49 -20.098 -1.274 -6.614 1.00 0.00 C ATOM 518 CD GLU A 49 -21.562 -1.610 -6.368 1.00 0.00 C ATOM 519 OE1 GLU A 49 -21.927 -2.792 -6.242 1.00 0.00 O ATOM 520 OE2 GLU A 49 -22.380 -0.680 -6.271 1.00 0.00 O ATOM 0 H GLU A 49 -20.554 -3.486 -5.190 1.00 0.00 H new ATOM 0 HA GLU A 49 -17.927 -3.016 -5.950 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -19.797 -1.128 -4.492 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -18.395 -0.684 -5.445 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -20.028 -0.254 -6.991 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -19.711 -1.929 -7.394 1.00 0.00 H new ATOM 527 N LYS A 50 -18.426 -3.140 -2.755 1.00 0.00 N ATOM 528 CA LYS A 50 -17.774 -3.163 -1.448 1.00 0.00 C ATOM 529 C LYS A 50 -16.646 -4.209 -1.463 1.00 0.00 C ATOM 530 O LYS A 50 -15.486 -3.915 -1.142 1.00 0.00 O ATOM 531 CB LYS A 50 -18.846 -3.524 -0.403 1.00 0.00 C ATOM 532 CG LYS A 50 -18.469 -3.482 1.071 1.00 0.00 C ATOM 533 CD LYS A 50 -18.329 -2.069 1.583 1.00 0.00 C ATOM 534 CE LYS A 50 -18.328 -2.046 3.114 1.00 0.00 C ATOM 535 NZ LYS A 50 -18.152 -0.691 3.689 1.00 0.00 N ATOM 0 H LYS A 50 -19.412 -3.400 -2.733 1.00 0.00 H new ATOM 0 HA LYS A 50 -17.334 -2.196 -1.205 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -19.690 -2.850 -0.548 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -19.200 -4.531 -0.626 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -19.228 -4.004 1.654 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -17.530 -4.015 1.220 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -17.405 -1.631 1.207 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -19.148 -1.457 1.206 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -19.267 -2.465 3.476 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -17.529 -2.692 3.478 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -18.395 -0.709 4.700 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -17.162 -0.392 3.576 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -18.775 -0.021 3.195 1.00 0.00 H new ATOM 549 N ALA A 51 -16.994 -5.377 -1.901 1.00 0.00 N ATOM 550 CA ALA A 51 -16.049 -6.474 -2.051 1.00 0.00 C ATOM 551 C ALA A 51 -15.077 -6.197 -3.201 1.00 0.00 C ATOM 552 O ALA A 51 -13.887 -6.492 -3.113 1.00 0.00 O ATOM 553 CB ALA A 51 -16.793 -7.772 -2.287 1.00 0.00 C ATOM 0 H ALA A 51 -17.949 -5.614 -2.171 1.00 0.00 H new ATOM 0 HA ALA A 51 -15.471 -6.563 -1.131 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -16.077 -8.587 -2.398 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -17.447 -7.976 -1.439 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -17.391 -7.689 -3.194 1.00 0.00 H new ATOM 559 N ARG A 52 -15.600 -5.604 -4.262 1.00 0.00 N ATOM 560 CA ARG A 52 -14.831 -5.259 -5.453 1.00 0.00 C ATOM 561 C ARG A 52 -13.725 -4.270 -5.080 1.00 0.00 C ATOM 562 O ARG A 52 -12.598 -4.354 -5.583 1.00 0.00 O ATOM 563 CB ARG A 52 -15.738 -4.607 -6.502 1.00 0.00 C ATOM 564 CG ARG A 52 -15.146 -4.567 -7.896 1.00 0.00 C ATOM 565 CD ARG A 52 -15.865 -3.574 -8.795 1.00 0.00 C ATOM 566 NE ARG A 52 -17.312 -3.815 -8.920 1.00 0.00 N ATOM 567 CZ ARG A 52 -18.147 -3.038 -9.630 1.00 0.00 C ATOM 568 NH1 ARG A 52 -17.673 -2.034 -10.361 1.00 0.00 N ATOM 569 NH2 ARG A 52 -19.443 -3.281 -9.626 1.00 0.00 N ATOM 0 H ARG A 52 -16.584 -5.344 -4.324 1.00 0.00 H new ATOM 0 HA ARG A 52 -14.398 -6.172 -5.863 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -16.683 -5.149 -6.536 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -15.966 -3.589 -6.187 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -14.091 -4.301 -7.834 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -15.198 -5.561 -8.340 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -15.707 -2.568 -8.406 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -15.415 -3.607 -9.787 1.00 0.00 H new ATOM 0 HE ARG A 52 -17.705 -4.623 -8.437 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -16.670 -1.850 -10.385 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -18.312 -1.448 -10.898 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -19.814 -4.061 -9.083 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -20.074 -2.689 -10.166 1.00 0.00 H new ATOM 583 N LEU A 53 -14.043 -3.326 -4.196 1.00 0.00 N ATOM 584 CA LEU A 53 -13.072 -2.393 -3.746 1.00 0.00 C ATOM 585 C LEU A 53 -12.029 -3.079 -2.864 1.00 0.00 C ATOM 586 O LEU A 53 -10.847 -2.749 -2.915 1.00 0.00 O ATOM 587 CB LEU A 53 -13.731 -1.267 -3.001 1.00 0.00 C ATOM 588 CG LEU A 53 -12.770 -0.361 -2.308 1.00 0.00 C ATOM 589 CD1 LEU A 53 -11.894 0.403 -3.300 1.00 0.00 C ATOM 590 CD2 LEU A 53 -13.458 0.545 -1.342 1.00 0.00 C ATOM 0 H LEU A 53 -14.971 -3.206 -3.791 1.00 0.00 H new ATOM 0 HA LEU A 53 -12.564 -1.982 -4.618 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -14.329 -0.682 -3.700 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -14.419 -1.684 -2.265 1.00 0.00 H new ATOM 0 HG LEU A 53 -12.100 -0.990 -1.721 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -11.208 1.052 -2.755 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -11.324 -0.305 -3.902 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -12.525 1.008 -3.952 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -12.722 1.188 -0.859 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -14.184 1.160 -1.874 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -13.971 -0.050 -0.587 1.00 0.00 H new ATOM 602 N LEU A 54 -12.458 -4.033 -2.072 1.00 0.00 N ATOM 603 CA LEU A 54 -11.514 -4.787 -1.261 1.00 0.00 C ATOM 604 C LEU A 54 -10.531 -5.545 -2.128 1.00 0.00 C ATOM 605 O LEU A 54 -9.363 -5.678 -1.785 1.00 0.00 O ATOM 606 CB LEU A 54 -12.211 -5.699 -0.266 1.00 0.00 C ATOM 607 CG LEU A 54 -13.004 -4.979 0.811 1.00 0.00 C ATOM 608 CD1 LEU A 54 -13.606 -5.971 1.784 1.00 0.00 C ATOM 609 CD2 LEU A 54 -12.114 -3.975 1.534 1.00 0.00 C ATOM 0 H LEU A 54 -13.435 -4.307 -1.968 1.00 0.00 H new ATOM 0 HA LEU A 54 -10.947 -4.066 -0.673 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -12.884 -6.361 -0.811 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -11.462 -6.329 0.214 1.00 0.00 H new ATOM 0 HG LEU A 54 -13.823 -4.435 0.340 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -14.170 -5.435 2.548 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -14.272 -6.647 1.248 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -12.810 -6.545 2.257 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -12.692 -3.464 2.304 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -11.277 -4.498 1.996 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -11.736 -3.244 0.820 1.00 0.00 H new ATOM 621 N ARG A 55 -10.998 -5.995 -3.266 1.00 0.00 N ATOM 622 CA ARG A 55 -10.159 -6.703 -4.221 1.00 0.00 C ATOM 623 C ARG A 55 -9.157 -5.689 -4.820 1.00 0.00 C ATOM 624 O ARG A 55 -7.996 -6.007 -5.091 1.00 0.00 O ATOM 625 CB ARG A 55 -11.063 -7.369 -5.295 1.00 0.00 C ATOM 626 CG ARG A 55 -10.408 -8.437 -6.194 1.00 0.00 C ATOM 627 CD ARG A 55 -9.438 -7.859 -7.208 1.00 0.00 C ATOM 628 NE ARG A 55 -8.839 -8.898 -8.046 1.00 0.00 N ATOM 629 CZ ARG A 55 -8.291 -8.691 -9.245 1.00 0.00 C ATOM 630 NH1 ARG A 55 -8.314 -7.473 -9.792 1.00 0.00 N ATOM 631 NH2 ARG A 55 -7.744 -9.708 -9.911 1.00 0.00 N ATOM 0 H ARG A 55 -11.968 -5.885 -3.563 1.00 0.00 H new ATOM 0 HA ARG A 55 -9.588 -7.502 -3.748 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -11.912 -7.827 -4.787 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -11.462 -6.584 -5.937 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -9.881 -9.156 -5.567 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -11.188 -8.986 -6.721 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -9.959 -7.139 -7.839 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -8.651 -7.314 -6.687 1.00 0.00 H new ATOM 0 HE ARG A 55 -8.840 -9.853 -7.687 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -8.751 -6.698 -9.293 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -7.894 -7.318 -10.709 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -7.745 -10.643 -9.504 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -7.325 -9.551 -10.828 1.00 0.00 H new ATOM 645 N GLU A 56 -9.609 -4.453 -4.967 1.00 0.00 N ATOM 646 CA GLU A 56 -8.770 -3.366 -5.439 1.00 0.00 C ATOM 647 C GLU A 56 -7.643 -3.065 -4.428 1.00 0.00 C ATOM 648 O GLU A 56 -6.511 -2.726 -4.815 1.00 0.00 O ATOM 649 CB GLU A 56 -9.632 -2.130 -5.729 1.00 0.00 C ATOM 650 CG GLU A 56 -8.864 -0.905 -6.163 1.00 0.00 C ATOM 651 CD GLU A 56 -9.767 0.169 -6.711 1.00 0.00 C ATOM 652 OE1 GLU A 56 -10.306 -0.014 -7.819 1.00 0.00 O ATOM 653 OE2 GLU A 56 -9.965 1.213 -6.057 1.00 0.00 O ATOM 0 H GLU A 56 -10.569 -4.177 -4.762 1.00 0.00 H new ATOM 0 HA GLU A 56 -8.288 -3.663 -6.370 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -10.353 -2.383 -6.506 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -10.202 -1.885 -4.833 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -8.305 -0.509 -5.315 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -8.134 -1.186 -6.922 1.00 0.00 H new ATOM 660 N LEU A 57 -7.922 -3.244 -3.141 1.00 0.00 N ATOM 661 CA LEU A 57 -6.899 -3.035 -2.146 1.00 0.00 C ATOM 662 C LEU A 57 -5.913 -4.185 -2.161 1.00 0.00 C ATOM 663 O LEU A 57 -4.740 -4.006 -1.844 1.00 0.00 O ATOM 664 CB LEU A 57 -7.420 -2.626 -0.729 1.00 0.00 C ATOM 665 CG LEU A 57 -8.105 -3.642 0.193 1.00 0.00 C ATOM 666 CD1 LEU A 57 -7.107 -4.626 0.769 1.00 0.00 C ATOM 667 CD2 LEU A 57 -8.805 -2.910 1.315 1.00 0.00 C ATOM 0 H LEU A 57 -8.831 -3.528 -2.776 1.00 0.00 H new ATOM 0 HA LEU A 57 -6.352 -2.137 -2.434 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -6.568 -2.224 -0.181 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -8.122 -1.805 -0.874 1.00 0.00 H new ATOM 0 HG LEU A 57 -8.830 -4.204 -0.396 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -7.625 -5.332 1.418 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -6.621 -5.168 -0.042 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -6.356 -4.087 1.346 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -9.292 -3.631 1.971 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -8.075 -2.335 1.885 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -9.553 -2.235 0.898 1.00 0.00 H new ATOM 679 N THR A 58 -6.399 -5.371 -2.543 1.00 0.00 N ATOM 680 CA THR A 58 -5.552 -6.535 -2.707 1.00 0.00 C ATOM 681 C THR A 58 -4.508 -6.230 -3.809 1.00 0.00 C ATOM 682 O THR A 58 -3.339 -6.641 -3.738 1.00 0.00 O ATOM 683 CB THR A 58 -6.399 -7.761 -3.123 1.00 0.00 C ATOM 684 OG1 THR A 58 -7.557 -7.827 -2.290 1.00 0.00 O ATOM 685 CG2 THR A 58 -5.610 -9.051 -2.953 1.00 0.00 C ATOM 0 H THR A 58 -7.385 -5.540 -2.744 1.00 0.00 H new ATOM 0 HA THR A 58 -5.054 -6.761 -1.764 1.00 0.00 H new ATOM 0 HB THR A 58 -6.676 -7.651 -4.171 1.00 0.00 H new ATOM 0 HG1 THR A 58 -8.101 -8.600 -2.547 1.00 0.00 H new ATOM 0 HG21 THR A 58 -6.228 -9.898 -3.252 1.00 0.00 H new ATOM 0 HG22 THR A 58 -4.716 -9.016 -3.576 1.00 0.00 H new ATOM 0 HG23 THR A 58 -5.320 -9.165 -1.909 1.00 0.00 H new ATOM 693 N VAL A 59 -4.941 -5.489 -4.811 1.00 0.00 N ATOM 694 CA VAL A 59 -4.051 -5.019 -5.855 1.00 0.00 C ATOM 695 C VAL A 59 -3.085 -3.969 -5.264 1.00 0.00 C ATOM 696 O VAL A 59 -1.895 -3.958 -5.571 1.00 0.00 O ATOM 697 CB VAL A 59 -4.845 -4.406 -7.042 1.00 0.00 C ATOM 698 CG1 VAL A 59 -3.911 -3.921 -8.141 1.00 0.00 C ATOM 699 CG2 VAL A 59 -5.833 -5.420 -7.603 1.00 0.00 C ATOM 0 H VAL A 59 -5.912 -5.198 -4.924 1.00 0.00 H new ATOM 0 HA VAL A 59 -3.486 -5.868 -6.239 1.00 0.00 H new ATOM 0 HB VAL A 59 -5.397 -3.546 -6.663 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -4.498 -3.498 -8.956 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -3.243 -3.158 -7.741 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -3.322 -4.759 -8.514 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -6.380 -4.974 -8.433 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -5.292 -6.298 -7.955 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -6.535 -5.715 -6.823 1.00 0.00 H new ATOM 709 N SER A 60 -3.606 -3.129 -4.382 1.00 0.00 N ATOM 710 CA SER A 60 -2.815 -2.085 -3.740 1.00 0.00 C ATOM 711 C SER A 60 -1.661 -2.671 -2.909 1.00 0.00 C ATOM 712 O SER A 60 -0.491 -2.267 -3.045 1.00 0.00 O ATOM 713 CB SER A 60 -3.706 -1.165 -2.907 1.00 0.00 C ATOM 714 OG SER A 60 -4.746 -0.607 -3.707 1.00 0.00 O ATOM 0 H SER A 60 -4.583 -3.150 -4.091 1.00 0.00 H new ATOM 0 HA SER A 60 -2.358 -1.483 -4.526 1.00 0.00 H new ATOM 0 HB2 SER A 60 -4.139 -1.724 -2.078 1.00 0.00 H new ATOM 0 HB3 SER A 60 -3.106 -0.365 -2.473 1.00 0.00 H new ATOM 0 HG SER A 60 -5.300 -1.328 -4.073 1.00 0.00 H new ATOM 720 N GLU A 61 -1.980 -3.639 -2.101 1.00 0.00 N ATOM 721 CA GLU A 61 -0.975 -4.327 -1.317 1.00 0.00 C ATOM 722 C GLU A 61 -0.019 -5.098 -2.232 1.00 0.00 C ATOM 723 O GLU A 61 1.153 -5.275 -1.908 1.00 0.00 O ATOM 724 CB GLU A 61 -1.585 -5.204 -0.209 1.00 0.00 C ATOM 725 CG GLU A 61 -2.564 -6.249 -0.685 1.00 0.00 C ATOM 726 CD GLU A 61 -3.173 -7.030 0.450 1.00 0.00 C ATOM 727 OE1 GLU A 61 -4.184 -6.590 1.012 1.00 0.00 O ATOM 728 OE2 GLU A 61 -2.650 -8.108 0.802 1.00 0.00 O ATOM 0 H GLU A 61 -2.932 -3.978 -1.961 1.00 0.00 H new ATOM 0 HA GLU A 61 -0.389 -3.574 -0.790 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -0.776 -5.703 0.325 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -2.089 -4.557 0.509 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -3.357 -5.766 -1.256 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -2.056 -6.935 -1.363 1.00 0.00 H new ATOM 735 N ALA A 62 -0.529 -5.531 -3.392 1.00 0.00 N ATOM 736 CA ALA A 62 0.279 -6.242 -4.377 1.00 0.00 C ATOM 737 C ALA A 62 1.444 -5.392 -4.885 1.00 0.00 C ATOM 738 O ALA A 62 2.584 -5.887 -4.971 1.00 0.00 O ATOM 739 CB ALA A 62 -0.563 -6.766 -5.525 1.00 0.00 C ATOM 0 H ALA A 62 -1.502 -5.398 -3.667 1.00 0.00 H new ATOM 0 HA ALA A 62 0.708 -7.104 -3.866 1.00 0.00 H new ATOM 0 HB1 ALA A 62 0.076 -7.289 -6.236 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -1.316 -7.454 -5.140 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -1.056 -5.932 -6.025 1.00 0.00 H new ATOM 745 N PHE A 63 1.198 -4.122 -5.202 1.00 0.00 N ATOM 746 CA PHE A 63 2.315 -3.282 -5.621 1.00 0.00 C ATOM 747 C PHE A 63 3.219 -2.925 -4.466 1.00 0.00 C ATOM 748 O PHE A 63 4.412 -2.730 -4.654 1.00 0.00 O ATOM 749 CB PHE A 63 1.978 -2.103 -6.557 1.00 0.00 C ATOM 750 CG PHE A 63 0.824 -1.284 -6.153 1.00 0.00 C ATOM 751 CD1 PHE A 63 0.935 -0.331 -5.168 1.00 0.00 C ATOM 752 CD2 PHE A 63 -0.389 -1.479 -6.764 1.00 0.00 C ATOM 753 CE1 PHE A 63 -0.156 0.401 -4.796 1.00 0.00 C ATOM 754 CE2 PHE A 63 -1.474 -0.747 -6.405 1.00 0.00 C ATOM 755 CZ PHE A 63 -1.359 0.190 -5.417 1.00 0.00 C ATOM 0 H PHE A 63 0.284 -3.670 -5.179 1.00 0.00 H new ATOM 0 HA PHE A 63 2.893 -3.920 -6.290 1.00 0.00 H new ATOM 0 HB2 PHE A 63 2.853 -1.457 -6.628 1.00 0.00 H new ATOM 0 HB3 PHE A 63 1.790 -2.497 -7.556 1.00 0.00 H new ATOM 0 HD1 PHE A 63 1.887 -0.161 -4.688 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -0.481 -2.224 -7.540 1.00 0.00 H new ATOM 0 HE1 PHE A 63 -0.071 1.143 -4.016 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -2.422 -0.904 -6.897 1.00 0.00 H new ATOM 0 HZ PHE A 63 -2.223 0.768 -5.124 1.00 0.00 H new ATOM 765 N ILE A 64 2.655 -2.814 -3.267 1.00 0.00 N ATOM 766 CA ILE A 64 3.487 -2.659 -2.072 1.00 0.00 C ATOM 767 C ILE A 64 4.429 -3.859 -1.908 1.00 0.00 C ATOM 768 O ILE A 64 5.605 -3.689 -1.649 1.00 0.00 O ATOM 769 CB ILE A 64 2.666 -2.379 -0.774 1.00 0.00 C ATOM 770 CG1 ILE A 64 2.222 -0.915 -0.732 1.00 0.00 C ATOM 771 CG2 ILE A 64 3.443 -2.734 0.496 1.00 0.00 C ATOM 772 CD1 ILE A 64 3.381 0.088 -0.625 1.00 0.00 C ATOM 0 H ILE A 64 1.650 -2.828 -3.095 1.00 0.00 H new ATOM 0 HA ILE A 64 4.092 -1.766 -2.226 1.00 0.00 H new ATOM 0 HB ILE A 64 1.787 -3.023 -0.804 1.00 0.00 H new ATOM 0 HG12 ILE A 64 1.647 -0.695 -1.631 1.00 0.00 H new ATOM 0 HG13 ILE A 64 1.553 -0.773 0.117 1.00 0.00 H new ATOM 0 HG21 ILE A 64 2.828 -2.521 1.370 1.00 0.00 H new ATOM 0 HG22 ILE A 64 3.699 -3.793 0.482 1.00 0.00 H new ATOM 0 HG23 ILE A 64 4.356 -2.141 0.541 1.00 0.00 H new ATOM 0 HD11 ILE A 64 2.983 1.103 -0.601 1.00 0.00 H new ATOM 0 HD12 ILE A 64 3.944 -0.103 0.289 1.00 0.00 H new ATOM 0 HD13 ILE A 64 4.039 -0.023 -1.487 1.00 0.00 H new ATOM 784 N GLU A 65 3.919 -5.055 -2.109 1.00 0.00 N ATOM 785 CA GLU A 65 4.748 -6.246 -2.070 1.00 0.00 C ATOM 786 C GLU A 65 5.814 -6.181 -3.176 1.00 0.00 C ATOM 787 O GLU A 65 6.982 -6.523 -2.955 1.00 0.00 O ATOM 788 CB GLU A 65 3.893 -7.512 -2.203 1.00 0.00 C ATOM 789 CG GLU A 65 4.708 -8.785 -2.205 1.00 0.00 C ATOM 790 CD GLU A 65 3.874 -10.032 -2.203 1.00 0.00 C ATOM 791 OE1 GLU A 65 3.524 -10.510 -1.115 1.00 0.00 O ATOM 792 OE2 GLU A 65 3.582 -10.586 -3.280 1.00 0.00 O ATOM 0 H GLU A 65 2.933 -5.231 -2.302 1.00 0.00 H new ATOM 0 HA GLU A 65 5.252 -6.289 -1.105 1.00 0.00 H new ATOM 0 HB2 GLU A 65 3.178 -7.548 -1.381 1.00 0.00 H new ATOM 0 HB3 GLU A 65 3.315 -7.457 -3.126 1.00 0.00 H new ATOM 0 HG2 GLU A 65 5.354 -8.791 -3.083 1.00 0.00 H new ATOM 0 HG3 GLU A 65 5.358 -8.792 -1.330 1.00 0.00 H new ATOM 799 N GLY A 66 5.399 -5.700 -4.341 1.00 0.00 N ATOM 800 CA GLY A 66 6.300 -5.526 -5.458 1.00 0.00 C ATOM 801 C GLY A 66 7.430 -4.560 -5.141 1.00 0.00 C ATOM 802 O GLY A 66 8.609 -4.864 -5.363 1.00 0.00 O ATOM 0 H GLY A 66 4.436 -5.424 -4.531 1.00 0.00 H new ATOM 0 HA2 GLY A 66 6.719 -6.492 -5.738 1.00 0.00 H new ATOM 0 HA3 GLY A 66 5.741 -5.159 -6.319 1.00 0.00 H new ATOM 806 N SER A 67 7.084 -3.428 -4.583 1.00 0.00 N ATOM 807 CA SER A 67 8.044 -2.422 -4.249 1.00 0.00 C ATOM 808 C SER A 67 8.906 -2.865 -3.081 1.00 0.00 C ATOM 809 O SER A 67 10.098 -2.573 -3.041 1.00 0.00 O ATOM 810 CB SER A 67 7.350 -1.078 -3.996 1.00 0.00 C ATOM 811 OG SER A 67 6.208 -1.237 -3.175 1.00 0.00 O ATOM 0 H SER A 67 6.122 -3.183 -4.349 1.00 0.00 H new ATOM 0 HA SER A 67 8.715 -2.278 -5.096 1.00 0.00 H new ATOM 0 HB2 SER A 67 8.049 -0.389 -3.522 1.00 0.00 H new ATOM 0 HB3 SER A 67 7.058 -0.632 -4.947 1.00 0.00 H new ATOM 0 HG SER A 67 5.481 -1.634 -3.699 1.00 0.00 H new ATOM 817 N ARG A 68 8.329 -3.629 -2.164 1.00 0.00 N ATOM 818 CA ARG A 68 9.103 -4.131 -1.048 1.00 0.00 C ATOM 819 C ARG A 68 10.142 -5.101 -1.514 1.00 0.00 C ATOM 820 O ARG A 68 11.315 -4.969 -1.161 1.00 0.00 O ATOM 821 CB ARG A 68 8.266 -4.699 0.111 1.00 0.00 C ATOM 822 CG ARG A 68 7.401 -3.680 0.830 1.00 0.00 C ATOM 823 CD ARG A 68 6.611 -4.312 1.971 1.00 0.00 C ATOM 824 NE ARG A 68 7.475 -4.792 3.060 1.00 0.00 N ATOM 825 CZ ARG A 68 7.053 -5.083 4.306 1.00 0.00 C ATOM 826 NH1 ARG A 68 5.753 -5.181 4.569 1.00 0.00 N ATOM 827 NH2 ARG A 68 7.939 -5.367 5.255 1.00 0.00 N ATOM 0 H ARG A 68 7.348 -3.908 -2.172 1.00 0.00 H new ATOM 0 HA ARG A 68 9.601 -3.260 -0.621 1.00 0.00 H new ATOM 0 HB2 ARG A 68 7.625 -5.491 -0.276 1.00 0.00 H new ATOM 0 HB3 ARG A 68 8.938 -5.159 0.835 1.00 0.00 H new ATOM 0 HG2 ARG A 68 8.030 -2.881 1.222 1.00 0.00 H new ATOM 0 HG3 ARG A 68 6.712 -3.223 0.120 1.00 0.00 H new ATOM 0 HD2 ARG A 68 5.905 -3.582 2.367 1.00 0.00 H new ATOM 0 HD3 ARG A 68 6.024 -5.145 1.584 1.00 0.00 H new ATOM 0 HE ARG A 68 8.467 -4.914 2.857 1.00 0.00 H new ATOM 0 HH11 ARG A 68 5.070 -5.036 3.826 1.00 0.00 H new ATOM 0 HH12 ARG A 68 5.439 -5.402 5.514 1.00 0.00 H new ATOM 0 HH21 ARG A 68 8.936 -5.364 5.039 1.00 0.00 H new ATOM 0 HH22 ARG A 68 7.622 -5.588 6.199 1.00 0.00 H new ATOM 841 N GLY A 69 9.733 -6.021 -2.354 1.00 0.00 N ATOM 842 CA GLY A 69 10.662 -6.955 -2.920 1.00 0.00 C ATOM 843 C GLY A 69 11.703 -6.238 -3.755 1.00 0.00 C ATOM 844 O GLY A 69 12.847 -6.651 -3.805 1.00 0.00 O ATOM 0 H GLY A 69 8.766 -6.139 -2.657 1.00 0.00 H new ATOM 0 HA2 GLY A 69 11.151 -7.516 -2.124 1.00 0.00 H new ATOM 0 HA3 GLY A 69 10.128 -7.677 -3.538 1.00 0.00 H new ATOM 848 N TYR A 70 11.318 -5.085 -4.306 1.00 0.00 N ATOM 849 CA TYR A 70 12.181 -4.313 -5.203 1.00 0.00 C ATOM 850 C TYR A 70 13.326 -3.761 -4.413 1.00 0.00 C ATOM 851 O TYR A 70 14.493 -3.919 -4.773 1.00 0.00 O ATOM 852 CB TYR A 70 11.374 -3.173 -5.840 1.00 0.00 C ATOM 853 CG TYR A 70 12.124 -2.264 -6.798 1.00 0.00 C ATOM 854 CD1 TYR A 70 12.804 -1.129 -6.343 1.00 0.00 C ATOM 855 CD2 TYR A 70 12.113 -2.510 -8.161 1.00 0.00 C ATOM 856 CE1 TYR A 70 13.448 -0.286 -7.222 1.00 0.00 C ATOM 857 CE2 TYR A 70 12.747 -1.662 -9.044 1.00 0.00 C ATOM 858 CZ TYR A 70 13.412 -0.553 -8.571 1.00 0.00 C ATOM 859 OH TYR A 70 14.027 0.308 -9.460 1.00 0.00 O ATOM 0 H TYR A 70 10.404 -4.662 -4.144 1.00 0.00 H new ATOM 0 HA TYR A 70 12.564 -4.953 -5.998 1.00 0.00 H new ATOM 0 HB2 TYR A 70 10.530 -3.610 -6.374 1.00 0.00 H new ATOM 0 HB3 TYR A 70 10.961 -2.559 -5.040 1.00 0.00 H new ATOM 0 HD1 TYR A 70 12.824 -0.910 -5.286 1.00 0.00 H new ATOM 0 HD2 TYR A 70 11.599 -3.381 -8.539 1.00 0.00 H new ATOM 0 HE1 TYR A 70 13.978 0.580 -6.854 1.00 0.00 H new ATOM 0 HE2 TYR A 70 12.722 -1.867 -10.104 1.00 0.00 H new ATOM 0 HH TYR A 70 13.909 -0.026 -10.374 1.00 0.00 H new ATOM 869 N PHE A 71 12.981 -3.142 -3.320 1.00 0.00 N ATOM 870 CA PHE A 71 13.941 -2.567 -2.438 1.00 0.00 C ATOM 871 C PHE A 71 14.819 -3.637 -1.805 1.00 0.00 C ATOM 872 O PHE A 71 16.019 -3.443 -1.639 1.00 0.00 O ATOM 873 CB PHE A 71 13.297 -1.619 -1.429 1.00 0.00 C ATOM 874 CG PHE A 71 12.690 -0.404 -2.083 1.00 0.00 C ATOM 875 CD1 PHE A 71 13.470 0.432 -2.863 1.00 0.00 C ATOM 876 CD2 PHE A 71 11.351 -0.100 -1.926 1.00 0.00 C ATOM 877 CE1 PHE A 71 12.930 1.541 -3.473 1.00 0.00 C ATOM 878 CE2 PHE A 71 10.803 1.013 -2.536 1.00 0.00 C ATOM 879 CZ PHE A 71 11.593 1.831 -3.310 1.00 0.00 C ATOM 0 H PHE A 71 12.014 -3.024 -3.018 1.00 0.00 H new ATOM 0 HA PHE A 71 14.610 -1.941 -3.028 1.00 0.00 H new ATOM 0 HB2 PHE A 71 12.525 -2.153 -0.875 1.00 0.00 H new ATOM 0 HB3 PHE A 71 14.047 -1.301 -0.704 1.00 0.00 H new ATOM 0 HD1 PHE A 71 14.519 0.210 -2.995 1.00 0.00 H new ATOM 0 HD2 PHE A 71 10.726 -0.739 -1.320 1.00 0.00 H new ATOM 0 HE1 PHE A 71 13.553 2.183 -4.078 1.00 0.00 H new ATOM 0 HE2 PHE A 71 9.755 1.240 -2.405 1.00 0.00 H new ATOM 0 HZ PHE A 71 11.166 2.699 -3.789 1.00 0.00 H new ATOM 889 N GLN A 72 14.219 -4.773 -1.466 1.00 0.00 N ATOM 890 CA GLN A 72 14.961 -5.889 -0.899 1.00 0.00 C ATOM 891 C GLN A 72 15.976 -6.459 -1.889 1.00 0.00 C ATOM 892 O GLN A 72 17.043 -6.936 -1.483 1.00 0.00 O ATOM 893 CB GLN A 72 14.049 -6.967 -0.323 1.00 0.00 C ATOM 894 CG GLN A 72 13.217 -6.475 0.846 1.00 0.00 C ATOM 895 CD GLN A 72 12.388 -7.558 1.481 1.00 0.00 C ATOM 896 OE1 GLN A 72 11.254 -7.806 1.086 1.00 0.00 O ATOM 897 NE2 GLN A 72 12.928 -8.191 2.489 1.00 0.00 N ATOM 0 H GLN A 72 13.219 -4.944 -1.575 1.00 0.00 H new ATOM 0 HA GLN A 72 15.527 -5.490 -0.057 1.00 0.00 H new ATOM 0 HB2 GLN A 72 13.385 -7.331 -1.107 1.00 0.00 H new ATOM 0 HB3 GLN A 72 14.655 -7.814 -0.000 1.00 0.00 H new ATOM 0 HG2 GLN A 72 13.878 -6.044 1.598 1.00 0.00 H new ATOM 0 HG3 GLN A 72 12.559 -5.676 0.504 1.00 0.00 H new ATOM 0 HE21 GLN A 72 13.874 -7.958 2.790 1.00 0.00 H new ATOM 0 HE22 GLN A 72 12.403 -8.918 2.975 1.00 0.00 H new ATOM 906 N ARG A 73 15.639 -6.432 -3.175 1.00 0.00 N ATOM 907 CA ARG A 73 16.578 -6.827 -4.227 1.00 0.00 C ATOM 908 C ARG A 73 17.747 -5.871 -4.254 1.00 0.00 C ATOM 909 O ARG A 73 18.901 -6.290 -4.339 1.00 0.00 O ATOM 910 CB ARG A 73 15.894 -6.847 -5.576 1.00 0.00 C ATOM 911 CG ARG A 73 14.944 -7.999 -5.764 1.00 0.00 C ATOM 912 CD ARG A 73 13.733 -7.559 -6.529 1.00 0.00 C ATOM 913 NE ARG A 73 14.035 -7.038 -7.872 1.00 0.00 N ATOM 914 CZ ARG A 73 13.150 -6.417 -8.669 1.00 0.00 C ATOM 915 NH1 ARG A 73 11.876 -6.309 -8.303 1.00 0.00 N ATOM 916 NH2 ARG A 73 13.537 -5.934 -9.843 1.00 0.00 N ATOM 0 H ARG A 73 14.723 -6.141 -3.517 1.00 0.00 H new ATOM 0 HA ARG A 73 16.939 -7.832 -4.011 1.00 0.00 H new ATOM 0 HB2 ARG A 73 15.347 -5.913 -5.708 1.00 0.00 H new ATOM 0 HB3 ARG A 73 16.654 -6.885 -6.357 1.00 0.00 H new ATOM 0 HG2 ARG A 73 15.444 -8.808 -6.297 1.00 0.00 H new ATOM 0 HG3 ARG A 73 14.645 -8.394 -4.793 1.00 0.00 H new ATOM 0 HD2 ARG A 73 13.048 -8.402 -6.622 1.00 0.00 H new ATOM 0 HD3 ARG A 73 13.215 -6.788 -5.959 1.00 0.00 H new ATOM 0 HE ARG A 73 14.985 -7.157 -8.223 1.00 0.00 H new ATOM 0 HH11 ARG A 73 11.566 -6.699 -7.413 1.00 0.00 H new ATOM 0 HH12 ARG A 73 11.209 -5.836 -8.913 1.00 0.00 H new ATOM 0 HH21 ARG A 73 14.507 -6.034 -10.141 1.00 0.00 H new ATOM 0 HH22 ARG A 73 12.864 -5.463 -10.447 1.00 0.00 H new ATOM 930 N GLU A 74 17.449 -4.588 -4.127 1.00 0.00 N ATOM 931 CA GLU A 74 18.480 -3.562 -4.075 1.00 0.00 C ATOM 932 C GLU A 74 19.353 -3.753 -2.836 1.00 0.00 C ATOM 933 O GLU A 74 20.555 -3.483 -2.860 1.00 0.00 O ATOM 934 CB GLU A 74 17.891 -2.149 -4.125 1.00 0.00 C ATOM 935 CG GLU A 74 17.125 -1.818 -5.405 1.00 0.00 C ATOM 936 CD GLU A 74 17.989 -1.850 -6.654 1.00 0.00 C ATOM 937 OE1 GLU A 74 18.565 -0.794 -7.033 1.00 0.00 O ATOM 938 OE2 GLU A 74 18.082 -2.904 -7.299 1.00 0.00 O ATOM 0 H GLU A 74 16.496 -4.230 -4.058 1.00 0.00 H new ATOM 0 HA GLU A 74 19.103 -3.673 -4.962 1.00 0.00 H new ATOM 0 HB2 GLU A 74 17.222 -2.019 -3.274 1.00 0.00 H new ATOM 0 HB3 GLU A 74 18.701 -1.429 -4.006 1.00 0.00 H new ATOM 0 HG2 GLU A 74 16.305 -2.527 -5.522 1.00 0.00 H new ATOM 0 HG3 GLU A 74 16.679 -0.828 -5.307 1.00 0.00 H new ATOM 945 N LEU A 75 18.754 -4.295 -1.778 1.00 0.00 N ATOM 946 CA LEU A 75 19.486 -4.599 -0.536 1.00 0.00 C ATOM 947 C LEU A 75 20.524 -5.706 -0.743 1.00 0.00 C ATOM 948 O LEU A 75 21.439 -5.881 0.077 1.00 0.00 O ATOM 949 CB LEU A 75 18.536 -4.982 0.618 1.00 0.00 C ATOM 950 CG LEU A 75 17.712 -3.852 1.251 1.00 0.00 C ATOM 951 CD1 LEU A 75 16.735 -4.425 2.267 1.00 0.00 C ATOM 952 CD2 LEU A 75 18.633 -2.859 1.948 1.00 0.00 C ATOM 0 H LEU A 75 17.763 -4.535 -1.749 1.00 0.00 H new ATOM 0 HA LEU A 75 20.007 -3.682 -0.260 1.00 0.00 H new ATOM 0 HB2 LEU A 75 17.844 -5.739 0.249 1.00 0.00 H new ATOM 0 HB3 LEU A 75 19.130 -5.449 1.404 1.00 0.00 H new ATOM 0 HG LEU A 75 17.159 -3.342 0.462 1.00 0.00 H new ATOM 0 HD11 LEU A 75 16.155 -3.616 2.711 1.00 0.00 H new ATOM 0 HD12 LEU A 75 16.062 -5.124 1.770 1.00 0.00 H new ATOM 0 HD13 LEU A 75 17.287 -4.946 3.049 1.00 0.00 H new ATOM 0 HD21 LEU A 75 18.038 -2.062 2.393 1.00 0.00 H new ATOM 0 HD22 LEU A 75 19.196 -3.371 2.728 1.00 0.00 H new ATOM 0 HD23 LEU A 75 19.325 -2.433 1.222 1.00 0.00 H new ATOM 964 N LYS A 76 20.389 -6.440 -1.829 1.00 0.00 N ATOM 965 CA LYS A 76 21.277 -7.541 -2.132 1.00 0.00 C ATOM 966 C LYS A 76 22.122 -7.228 -3.355 1.00 0.00 C ATOM 967 O LYS A 76 23.037 -7.972 -3.700 1.00 0.00 O ATOM 968 CB LYS A 76 20.468 -8.801 -2.377 1.00 0.00 C ATOM 969 CG LYS A 76 19.606 -9.199 -1.204 1.00 0.00 C ATOM 970 CD LYS A 76 18.741 -10.379 -1.547 1.00 0.00 C ATOM 971 CE LYS A 76 17.824 -10.756 -0.395 1.00 0.00 C ATOM 972 NZ LYS A 76 16.941 -9.632 -0.010 1.00 0.00 N ATOM 0 H LYS A 76 19.660 -6.289 -2.526 1.00 0.00 H new ATOM 0 HA LYS A 76 21.941 -7.695 -1.281 1.00 0.00 H new ATOM 0 HB2 LYS A 76 19.833 -8.652 -3.250 1.00 0.00 H new ATOM 0 HB3 LYS A 76 21.148 -9.620 -2.613 1.00 0.00 H new ATOM 0 HG2 LYS A 76 20.238 -9.443 -0.350 1.00 0.00 H new ATOM 0 HG3 LYS A 76 18.979 -8.358 -0.907 1.00 0.00 H new ATOM 0 HD2 LYS A 76 18.143 -10.148 -2.428 1.00 0.00 H new ATOM 0 HD3 LYS A 76 19.371 -11.230 -1.804 1.00 0.00 H new ATOM 0 HE2 LYS A 76 17.217 -11.615 -0.679 1.00 0.00 H new ATOM 0 HE3 LYS A 76 18.423 -11.059 0.464 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 15.978 -9.988 0.155 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 17.301 -9.190 0.860 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 16.923 -8.927 -0.774 1.00 0.00 H new ATOM 986 N ARG A 77 21.815 -6.114 -3.987 1.00 0.00 N ATOM 987 CA ARG A 77 22.444 -5.697 -5.239 1.00 0.00 C ATOM 988 C ARG A 77 23.932 -5.449 -5.064 1.00 0.00 C ATOM 989 O ARG A 77 24.704 -5.566 -6.012 1.00 0.00 O ATOM 990 CB ARG A 77 21.793 -4.401 -5.715 1.00 0.00 C ATOM 991 CG ARG A 77 22.210 -3.955 -7.098 1.00 0.00 C ATOM 992 CD ARG A 77 21.460 -2.713 -7.509 1.00 0.00 C ATOM 993 NE ARG A 77 22.023 -2.123 -8.714 1.00 0.00 N ATOM 994 CZ ARG A 77 21.760 -0.891 -9.137 1.00 0.00 C ATOM 995 NH1 ARG A 77 20.748 -0.191 -8.610 1.00 0.00 N ATOM 996 NH2 ARG A 77 22.474 -0.379 -10.124 1.00 0.00 N ATOM 0 H ARG A 77 21.112 -5.458 -3.646 1.00 0.00 H new ATOM 0 HA ARG A 77 22.308 -6.498 -5.966 1.00 0.00 H new ATOM 0 HB2 ARG A 77 20.710 -4.527 -5.700 1.00 0.00 H new ATOM 0 HB3 ARG A 77 22.031 -3.609 -5.005 1.00 0.00 H new ATOM 0 HG2 ARG A 77 23.282 -3.760 -7.114 1.00 0.00 H new ATOM 0 HG3 ARG A 77 22.021 -4.754 -7.815 1.00 0.00 H new ATOM 0 HD2 ARG A 77 20.412 -2.959 -7.679 1.00 0.00 H new ATOM 0 HD3 ARG A 77 21.489 -1.985 -6.699 1.00 0.00 H new ATOM 0 HE ARG A 77 22.661 -2.692 -9.270 1.00 0.00 H new ATOM 0 HH11 ARG A 77 20.171 -0.603 -7.877 1.00 0.00 H new ATOM 0 HH12 ARG A 77 20.554 0.754 -8.942 1.00 0.00 H new ATOM 0 HH21 ARG A 77 23.218 -0.928 -10.553 1.00 0.00 H new ATOM 0 HH22 ARG A 77 22.281 0.566 -10.457 1.00 0.00 H new ATOM 1010 N THR A 78 24.304 -5.054 -3.853 1.00 0.00 N ATOM 1011 CA THR A 78 25.664 -4.658 -3.495 1.00 0.00 C ATOM 1012 C THR A 78 25.935 -3.185 -3.953 1.00 0.00 C ATOM 1013 O THR A 78 26.793 -2.477 -3.392 1.00 0.00 O ATOM 1014 CB THR A 78 26.746 -5.676 -4.002 1.00 0.00 C ATOM 1015 OG1 THR A 78 26.388 -7.013 -3.556 1.00 0.00 O ATOM 1016 CG2 THR A 78 28.117 -5.336 -3.442 1.00 0.00 C ATOM 0 H THR A 78 23.652 -4.998 -3.070 1.00 0.00 H new ATOM 0 HA THR A 78 25.751 -4.684 -2.409 1.00 0.00 H new ATOM 0 HB THR A 78 26.782 -5.625 -5.090 1.00 0.00 H new ATOM 0 HG1 THR A 78 27.059 -7.654 -3.871 1.00 0.00 H new ATOM 0 HG21 THR A 78 28.849 -6.056 -3.808 1.00 0.00 H new ATOM 0 HG22 THR A 78 28.403 -4.334 -3.762 1.00 0.00 H new ATOM 0 HG23 THR A 78 28.085 -5.374 -2.353 1.00 0.00 H new ATOM 1024 N ASP A 79 25.149 -2.720 -4.935 1.00 0.00 N ATOM 1025 CA ASP A 79 25.171 -1.321 -5.371 1.00 0.00 C ATOM 1026 C ASP A 79 24.228 -0.513 -4.526 1.00 0.00 C ATOM 1027 O ASP A 79 23.114 -0.198 -4.940 1.00 0.00 O ATOM 1028 CB ASP A 79 24.769 -1.124 -6.839 1.00 0.00 C ATOM 1029 CG ASP A 79 25.723 -1.683 -7.831 1.00 0.00 C ATOM 1030 OD1 ASP A 79 26.702 -1.003 -8.175 1.00 0.00 O ATOM 1031 OD2 ASP A 79 25.491 -2.795 -8.328 1.00 0.00 O ATOM 0 H ASP A 79 24.484 -3.302 -5.445 1.00 0.00 H new ATOM 0 HA ASP A 79 26.204 -0.992 -5.261 1.00 0.00 H new ATOM 0 HB2 ASP A 79 23.793 -1.583 -6.998 1.00 0.00 H new ATOM 0 HB3 ASP A 79 24.654 -0.057 -7.029 1.00 0.00 H new ATOM 1036 N LEU A 80 24.615 -0.318 -3.321 1.00 0.00 N ATOM 1037 CA LEU A 80 23.920 0.508 -2.369 1.00 0.00 C ATOM 1038 C LEU A 80 24.873 0.861 -1.292 1.00 0.00 C ATOM 1039 O LEU A 80 25.845 0.149 -1.026 1.00 0.00 O ATOM 1040 CB LEU A 80 22.682 -0.204 -1.765 1.00 0.00 C ATOM 1041 CG LEU A 80 22.930 -1.349 -0.763 1.00 0.00 C ATOM 1042 CD1 LEU A 80 21.628 -1.769 -0.146 1.00 0.00 C ATOM 1043 CD2 LEU A 80 23.579 -2.558 -1.409 1.00 0.00 C ATOM 0 H LEU A 80 25.461 -0.742 -2.941 1.00 0.00 H new ATOM 0 HA LEU A 80 23.552 1.398 -2.879 1.00 0.00 H new ATOM 0 HB2 LEU A 80 22.071 0.550 -1.268 1.00 0.00 H new ATOM 0 HB3 LEU A 80 22.089 -0.602 -2.589 1.00 0.00 H new ATOM 0 HG LEU A 80 23.615 -0.968 -0.005 1.00 0.00 H new ATOM 0 HD11 LEU A 80 21.805 -2.579 0.562 1.00 0.00 H new ATOM 0 HD12 LEU A 80 21.182 -0.922 0.375 1.00 0.00 H new ATOM 0 HD13 LEU A 80 20.949 -2.112 -0.927 1.00 0.00 H new ATOM 0 HD21 LEU A 80 23.731 -3.334 -0.659 1.00 0.00 H new ATOM 0 HD22 LEU A 80 22.932 -2.939 -2.199 1.00 0.00 H new ATOM 0 HD23 LEU A 80 24.541 -2.271 -1.834 1.00 0.00 H new ATOM 1055 N ASP A 81 24.613 1.946 -0.726 1.00 0.00 N ATOM 1056 CA ASP A 81 25.350 2.490 0.345 1.00 0.00 C ATOM 1057 C ASP A 81 24.392 2.523 1.500 1.00 0.00 C ATOM 1058 O ASP A 81 23.197 2.253 1.287 1.00 0.00 O ATOM 1059 CB ASP A 81 25.781 3.908 -0.059 1.00 0.00 C ATOM 1060 CG ASP A 81 26.586 4.630 0.979 1.00 0.00 C ATOM 1061 OD1 ASP A 81 27.817 4.426 1.041 1.00 0.00 O ATOM 1062 OD2 ASP A 81 26.001 5.423 1.741 1.00 0.00 O ATOM 0 H ASP A 81 23.827 2.533 -1.006 1.00 0.00 H new ATOM 0 HA ASP A 81 26.244 1.922 0.602 1.00 0.00 H new ATOM 0 HB2 ASP A 81 26.365 3.849 -0.978 1.00 0.00 H new ATOM 0 HB3 ASP A 81 24.891 4.495 -0.284 1.00 0.00 H new ATOM 1067 N LEU A 82 24.850 2.853 2.696 1.00 0.00 N ATOM 1068 CA LEU A 82 23.967 2.983 3.846 1.00 0.00 C ATOM 1069 C LEU A 82 22.860 3.992 3.539 1.00 0.00 C ATOM 1070 O LEU A 82 21.749 3.888 4.033 1.00 0.00 O ATOM 1071 CB LEU A 82 24.755 3.302 5.153 1.00 0.00 C ATOM 1072 CG LEU A 82 25.631 4.580 5.206 1.00 0.00 C ATOM 1073 CD1 LEU A 82 24.806 5.847 5.420 1.00 0.00 C ATOM 1074 CD2 LEU A 82 26.691 4.449 6.281 1.00 0.00 C ATOM 0 H LEU A 82 25.833 3.037 2.898 1.00 0.00 H new ATOM 0 HA LEU A 82 23.487 2.023 4.035 1.00 0.00 H new ATOM 0 HB2 LEU A 82 24.032 3.364 5.967 1.00 0.00 H new ATOM 0 HB3 LEU A 82 25.401 2.450 5.364 1.00 0.00 H new ATOM 0 HG LEU A 82 26.115 4.677 4.234 1.00 0.00 H new ATOM 0 HD11 LEU A 82 25.469 6.712 5.449 1.00 0.00 H new ATOM 0 HD12 LEU A 82 24.096 5.961 4.601 1.00 0.00 H new ATOM 0 HD13 LEU A 82 24.264 5.773 6.363 1.00 0.00 H new ATOM 0 HD21 LEU A 82 27.298 5.354 6.306 1.00 0.00 H new ATOM 0 HD22 LEU A 82 26.211 4.307 7.249 1.00 0.00 H new ATOM 0 HD23 LEU A 82 27.327 3.591 6.062 1.00 0.00 H new ATOM 1086 N LEU A 83 23.202 4.945 2.692 1.00 0.00 N ATOM 1087 CA LEU A 83 22.300 5.982 2.214 1.00 0.00 C ATOM 1088 C LEU A 83 21.099 5.366 1.534 1.00 0.00 C ATOM 1089 O LEU A 83 19.941 5.684 1.842 1.00 0.00 O ATOM 1090 CB LEU A 83 23.107 6.783 1.155 1.00 0.00 C ATOM 1091 CG LEU A 83 22.523 8.102 0.563 1.00 0.00 C ATOM 1092 CD1 LEU A 83 21.380 7.869 -0.420 1.00 0.00 C ATOM 1093 CD2 LEU A 83 22.077 9.023 1.675 1.00 0.00 C ATOM 0 H LEU A 83 24.142 5.023 2.305 1.00 0.00 H new ATOM 0 HA LEU A 83 21.947 6.602 3.038 1.00 0.00 H new ATOM 0 HB2 LEU A 83 24.072 7.027 1.599 1.00 0.00 H new ATOM 0 HB3 LEU A 83 23.301 6.111 0.319 1.00 0.00 H new ATOM 0 HG LEU A 83 23.328 8.570 -0.003 1.00 0.00 H new ATOM 0 HD11 LEU A 83 21.020 8.828 -0.794 1.00 0.00 H new ATOM 0 HD12 LEU A 83 21.735 7.264 -1.254 1.00 0.00 H new ATOM 0 HD13 LEU A 83 20.566 7.348 0.085 1.00 0.00 H new ATOM 0 HD21 LEU A 83 21.671 9.940 1.247 1.00 0.00 H new ATOM 0 HD22 LEU A 83 21.309 8.529 2.270 1.00 0.00 H new ATOM 0 HD23 LEU A 83 22.929 9.265 2.311 1.00 0.00 H new ATOM 1105 N GLU A 84 21.393 4.481 0.646 1.00 0.00 N ATOM 1106 CA GLU A 84 20.415 3.845 -0.157 1.00 0.00 C ATOM 1107 C GLU A 84 19.633 2.879 0.668 1.00 0.00 C ATOM 1108 O GLU A 84 18.417 2.825 0.580 1.00 0.00 O ATOM 1109 CB GLU A 84 21.088 3.237 -1.356 1.00 0.00 C ATOM 1110 CG GLU A 84 21.773 4.302 -2.186 1.00 0.00 C ATOM 1111 CD GLU A 84 22.560 3.762 -3.320 1.00 0.00 C ATOM 1112 OE1 GLU A 84 22.006 3.592 -4.413 1.00 0.00 O ATOM 1113 OE2 GLU A 84 23.761 3.543 -3.152 1.00 0.00 O ATOM 0 H GLU A 84 22.347 4.173 0.455 1.00 0.00 H new ATOM 0 HA GLU A 84 19.687 4.560 -0.540 1.00 0.00 H new ATOM 0 HB2 GLU A 84 21.819 2.496 -1.032 1.00 0.00 H new ATOM 0 HB3 GLU A 84 20.352 2.713 -1.965 1.00 0.00 H new ATOM 0 HG2 GLU A 84 21.020 4.988 -2.573 1.00 0.00 H new ATOM 0 HG3 GLU A 84 22.433 4.883 -1.542 1.00 0.00 H new ATOM 1120 N LYS A 85 20.349 2.182 1.541 1.00 0.00 N ATOM 1121 CA LYS A 85 19.763 1.246 2.479 1.00 0.00 C ATOM 1122 C LYS A 85 18.734 1.939 3.299 1.00 0.00 C ATOM 1123 O LYS A 85 17.665 1.391 3.533 1.00 0.00 O ATOM 1124 CB LYS A 85 20.783 0.675 3.453 1.00 0.00 C ATOM 1125 CG LYS A 85 21.864 -0.199 2.895 1.00 0.00 C ATOM 1126 CD LYS A 85 22.696 -0.741 4.036 1.00 0.00 C ATOM 1127 CE LYS A 85 23.780 -1.679 3.574 1.00 0.00 C ATOM 1128 NZ LYS A 85 24.515 -2.239 4.727 1.00 0.00 N ATOM 0 H LYS A 85 21.364 2.255 1.615 1.00 0.00 H new ATOM 0 HA LYS A 85 19.343 0.437 1.882 1.00 0.00 H new ATOM 0 HB2 LYS A 85 21.259 1.509 3.968 1.00 0.00 H new ATOM 0 HB3 LYS A 85 20.243 0.101 4.206 1.00 0.00 H new ATOM 0 HG2 LYS A 85 21.428 -1.019 2.324 1.00 0.00 H new ATOM 0 HG3 LYS A 85 22.491 0.370 2.208 1.00 0.00 H new ATOM 0 HD2 LYS A 85 23.148 0.090 4.577 1.00 0.00 H new ATOM 0 HD3 LYS A 85 22.046 -1.263 4.738 1.00 0.00 H new ATOM 0 HE2 LYS A 85 23.342 -2.487 2.988 1.00 0.00 H new ATOM 0 HE3 LYS A 85 24.471 -1.149 2.919 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 25.257 -2.883 4.386 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 24.950 -1.466 5.270 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 23.856 -2.763 5.337 1.00 0.00 H new ATOM 1142 N PHE A 86 19.035 3.178 3.694 1.00 0.00 N ATOM 1143 CA PHE A 86 18.134 3.902 4.534 1.00 0.00 C ATOM 1144 C PHE A 86 16.800 4.173 3.829 1.00 0.00 C ATOM 1145 O PHE A 86 15.768 4.158 4.436 1.00 0.00 O ATOM 1146 CB PHE A 86 18.753 5.179 5.110 1.00 0.00 C ATOM 1147 CG PHE A 86 17.882 5.842 6.142 1.00 0.00 C ATOM 1148 CD1 PHE A 86 17.707 5.258 7.385 1.00 0.00 C ATOM 1149 CD2 PHE A 86 17.228 7.030 5.871 1.00 0.00 C ATOM 1150 CE1 PHE A 86 16.901 5.843 8.338 1.00 0.00 C ATOM 1151 CE2 PHE A 86 16.415 7.619 6.821 1.00 0.00 C ATOM 1152 CZ PHE A 86 16.256 7.025 8.057 1.00 0.00 C ATOM 0 H PHE A 86 19.887 3.678 3.440 1.00 0.00 H new ATOM 0 HA PHE A 86 17.924 3.260 5.390 1.00 0.00 H new ATOM 0 HB2 PHE A 86 19.718 4.939 5.557 1.00 0.00 H new ATOM 0 HB3 PHE A 86 18.944 5.881 4.299 1.00 0.00 H new ATOM 0 HD1 PHE A 86 18.210 4.329 7.612 1.00 0.00 H new ATOM 0 HD2 PHE A 86 17.354 7.502 4.908 1.00 0.00 H new ATOM 0 HE1 PHE A 86 16.776 5.374 9.303 1.00 0.00 H new ATOM 0 HE2 PHE A 86 15.904 8.544 6.596 1.00 0.00 H new ATOM 0 HZ PHE A 86 15.626 7.488 8.802 1.00 0.00 H new ATOM 1162 N ASN A 87 16.860 4.353 2.542 1.00 0.00 N ATOM 1163 CA ASN A 87 15.700 4.633 1.715 1.00 0.00 C ATOM 1164 C ASN A 87 14.898 3.377 1.550 1.00 0.00 C ATOM 1165 O ASN A 87 13.678 3.405 1.567 1.00 0.00 O ATOM 1166 CB ASN A 87 16.095 5.172 0.318 1.00 0.00 C ATOM 1167 CG ASN A 87 16.700 6.569 0.327 1.00 0.00 C ATOM 1168 OD1 ASN A 87 16.380 7.401 1.180 1.00 0.00 O ATOM 1169 ND2 ASN A 87 17.560 6.851 -0.621 1.00 0.00 N ATOM 0 H ASN A 87 17.733 4.310 2.016 1.00 0.00 H new ATOM 0 HA ASN A 87 15.114 5.404 2.215 1.00 0.00 H new ATOM 0 HB2 ASN A 87 16.809 4.484 -0.134 1.00 0.00 H new ATOM 0 HB3 ASN A 87 15.210 5.177 -0.319 1.00 0.00 H new ATOM 0 HD21 ASN A 87 17.983 7.778 -0.667 1.00 0.00 H new ATOM 0 HD22 ASN A 87 17.806 6.143 -1.313 1.00 0.00 H new ATOM 1176 N PHE A 88 15.599 2.259 1.423 1.00 0.00 N ATOM 1177 CA PHE A 88 14.953 0.980 1.211 1.00 0.00 C ATOM 1178 C PHE A 88 14.262 0.572 2.447 1.00 0.00 C ATOM 1179 O PHE A 88 13.081 0.286 2.413 1.00 0.00 O ATOM 1180 CB PHE A 88 15.939 -0.116 0.804 1.00 0.00 C ATOM 1181 CG PHE A 88 16.831 0.254 -0.319 1.00 0.00 C ATOM 1182 CD1 PHE A 88 16.399 1.090 -1.336 1.00 0.00 C ATOM 1183 CD2 PHE A 88 18.122 -0.192 -0.336 1.00 0.00 C ATOM 1184 CE1 PHE A 88 17.254 1.472 -2.325 1.00 0.00 C ATOM 1185 CE2 PHE A 88 18.971 0.172 -1.329 1.00 0.00 C ATOM 1186 CZ PHE A 88 18.541 1.009 -2.314 1.00 0.00 C ATOM 0 H PHE A 88 16.617 2.216 1.464 1.00 0.00 H new ATOM 0 HA PHE A 88 14.245 1.106 0.392 1.00 0.00 H new ATOM 0 HB2 PHE A 88 16.551 -0.377 1.668 1.00 0.00 H new ATOM 0 HB3 PHE A 88 15.378 -1.009 0.528 1.00 0.00 H new ATOM 0 HD1 PHE A 88 15.378 1.441 -1.345 1.00 0.00 H new ATOM 0 HD2 PHE A 88 18.471 -0.843 0.452 1.00 0.00 H new ATOM 0 HE1 PHE A 88 16.919 2.134 -3.110 1.00 0.00 H new ATOM 0 HE2 PHE A 88 19.985 -0.201 -1.339 1.00 0.00 H new ATOM 0 HZ PHE A 88 19.224 1.310 -3.095 1.00 0.00 H new ATOM 1196 N GLU A 89 14.972 0.636 3.570 1.00 0.00 N ATOM 1197 CA GLU A 89 14.391 0.260 4.819 1.00 0.00 C ATOM 1198 C GLU A 89 13.305 1.233 5.152 1.00 0.00 C ATOM 1199 O GLU A 89 12.289 0.856 5.747 1.00 0.00 O ATOM 1200 CB GLU A 89 15.410 0.150 5.968 1.00 0.00 C ATOM 1201 CG GLU A 89 16.090 1.447 6.352 1.00 0.00 C ATOM 1202 CD GLU A 89 16.905 1.314 7.601 1.00 0.00 C ATOM 1203 OE1 GLU A 89 16.305 1.177 8.686 1.00 0.00 O ATOM 1204 OE2 GLU A 89 18.147 1.356 7.541 1.00 0.00 O ATOM 0 H GLU A 89 15.943 0.945 3.623 1.00 0.00 H new ATOM 0 HA GLU A 89 13.983 -0.744 4.707 1.00 0.00 H new ATOM 0 HB2 GLU A 89 14.902 -0.249 6.846 1.00 0.00 H new ATOM 0 HB3 GLU A 89 16.175 -0.573 5.686 1.00 0.00 H new ATOM 0 HG2 GLU A 89 16.733 1.773 5.535 1.00 0.00 H new ATOM 0 HG3 GLU A 89 15.336 2.222 6.494 1.00 0.00 H new ATOM 1211 N ALA A 90 13.477 2.497 4.722 1.00 0.00 N ATOM 1212 CA ALA A 90 12.447 3.472 5.056 1.00 0.00 C ATOM 1213 C ALA A 90 11.176 3.198 4.261 1.00 0.00 C ATOM 1214 O ALA A 90 10.061 3.293 4.783 1.00 0.00 O ATOM 1215 CB ALA A 90 12.911 4.902 4.873 1.00 0.00 C ATOM 0 H ALA A 90 14.268 2.843 4.179 1.00 0.00 H new ATOM 0 HA ALA A 90 12.229 3.356 6.118 1.00 0.00 H new ATOM 0 HB1 ALA A 90 12.102 5.584 5.137 1.00 0.00 H new ATOM 0 HB2 ALA A 90 13.770 5.091 5.517 1.00 0.00 H new ATOM 0 HB3 ALA A 90 13.196 5.062 3.833 1.00 0.00 H new ATOM 1221 N ALA A 91 11.344 2.816 3.016 1.00 0.00 N ATOM 1222 CA ALA A 91 10.228 2.515 2.150 1.00 0.00 C ATOM 1223 C ALA A 91 9.559 1.226 2.565 1.00 0.00 C ATOM 1224 O ALA A 91 8.341 1.150 2.588 1.00 0.00 O ATOM 1225 CB ALA A 91 10.667 2.467 0.701 1.00 0.00 C ATOM 0 H ALA A 91 12.257 2.705 2.576 1.00 0.00 H new ATOM 0 HA ALA A 91 9.495 3.316 2.247 1.00 0.00 H new ATOM 0 HB1 ALA A 91 9.809 2.239 0.068 1.00 0.00 H new ATOM 0 HB2 ALA A 91 11.082 3.433 0.414 1.00 0.00 H new ATOM 0 HB3 ALA A 91 11.426 1.694 0.576 1.00 0.00 H new ATOM 1231 N LEU A 92 10.351 0.241 2.952 1.00 0.00 N ATOM 1232 CA LEU A 92 9.820 -1.047 3.393 1.00 0.00 C ATOM 1233 C LEU A 92 8.904 -0.854 4.583 1.00 0.00 C ATOM 1234 O LEU A 92 7.830 -1.445 4.651 1.00 0.00 O ATOM 1235 CB LEU A 92 10.949 -2.034 3.742 1.00 0.00 C ATOM 1236 CG LEU A 92 11.937 -2.357 2.615 1.00 0.00 C ATOM 1237 CD1 LEU A 92 13.031 -3.291 3.081 1.00 0.00 C ATOM 1238 CD2 LEU A 92 11.224 -2.933 1.424 1.00 0.00 C ATOM 0 H LEU A 92 11.369 0.305 2.971 1.00 0.00 H new ATOM 0 HA LEU A 92 9.249 -1.474 2.568 1.00 0.00 H new ATOM 0 HB2 LEU A 92 11.510 -1.629 4.584 1.00 0.00 H new ATOM 0 HB3 LEU A 92 10.497 -2.967 4.079 1.00 0.00 H new ATOM 0 HG LEU A 92 12.406 -1.419 2.317 1.00 0.00 H new ATOM 0 HD11 LEU A 92 13.711 -3.496 2.254 1.00 0.00 H new ATOM 0 HD12 LEU A 92 13.583 -2.826 3.898 1.00 0.00 H new ATOM 0 HD13 LEU A 92 12.589 -4.225 3.427 1.00 0.00 H new ATOM 0 HD21 LEU A 92 11.947 -3.153 0.639 1.00 0.00 H new ATOM 0 HD22 LEU A 92 10.713 -3.851 1.715 1.00 0.00 H new ATOM 0 HD23 LEU A 92 10.494 -2.213 1.054 1.00 0.00 H new ATOM 1250 N ALA A 93 9.303 0.027 5.477 1.00 0.00 N ATOM 1251 CA ALA A 93 8.521 0.314 6.652 1.00 0.00 C ATOM 1252 C ALA A 93 7.301 1.128 6.304 1.00 0.00 C ATOM 1253 O ALA A 93 6.244 0.937 6.886 1.00 0.00 O ATOM 1254 CB ALA A 93 9.356 1.001 7.716 1.00 0.00 C ATOM 0 H ALA A 93 10.171 0.558 5.407 1.00 0.00 H new ATOM 0 HA ALA A 93 8.181 -0.636 7.065 1.00 0.00 H new ATOM 0 HB1 ALA A 93 8.737 1.204 8.590 1.00 0.00 H new ATOM 0 HB2 ALA A 93 10.185 0.354 8.002 1.00 0.00 H new ATOM 0 HB3 ALA A 93 9.747 1.939 7.322 1.00 0.00 H new ATOM 1260 N THR A 94 7.428 1.981 5.317 1.00 0.00 N ATOM 1261 CA THR A 94 6.340 2.818 4.934 1.00 0.00 C ATOM 1262 C THR A 94 5.271 1.977 4.238 1.00 0.00 C ATOM 1263 O THR A 94 4.071 2.110 4.519 1.00 0.00 O ATOM 1264 CB THR A 94 6.825 3.981 4.040 1.00 0.00 C ATOM 1265 OG1 THR A 94 7.823 4.740 4.767 1.00 0.00 O ATOM 1266 CG2 THR A 94 5.672 4.905 3.659 1.00 0.00 C ATOM 0 H THR A 94 8.279 2.107 4.769 1.00 0.00 H new ATOM 0 HA THR A 94 5.900 3.266 5.825 1.00 0.00 H new ATOM 0 HB THR A 94 7.245 3.566 3.124 1.00 0.00 H new ATOM 0 HG1 THR A 94 8.625 4.191 4.891 1.00 0.00 H new ATOM 0 HG21 THR A 94 6.046 5.713 3.030 1.00 0.00 H new ATOM 0 HG22 THR A 94 4.918 4.339 3.113 1.00 0.00 H new ATOM 0 HG23 THR A 94 5.228 5.324 4.562 1.00 0.00 H new ATOM 1274 N GLY A 95 5.729 1.054 3.404 1.00 0.00 N ATOM 1275 CA GLY A 95 4.838 0.179 2.704 1.00 0.00 C ATOM 1276 C GLY A 95 4.152 -0.765 3.646 1.00 0.00 C ATOM 1277 O GLY A 95 2.971 -1.038 3.503 1.00 0.00 O ATOM 0 H GLY A 95 6.718 0.902 3.204 1.00 0.00 H new ATOM 0 HA2 GLY A 95 4.093 0.767 2.168 1.00 0.00 H new ATOM 0 HA3 GLY A 95 5.394 -0.388 1.957 1.00 0.00 H new ATOM 1281 N ASP A 96 4.894 -1.234 4.638 1.00 0.00 N ATOM 1282 CA ASP A 96 4.360 -2.155 5.632 1.00 0.00 C ATOM 1283 C ASP A 96 3.258 -1.498 6.428 1.00 0.00 C ATOM 1284 O ASP A 96 2.162 -2.038 6.547 1.00 0.00 O ATOM 1285 CB ASP A 96 5.451 -2.634 6.592 1.00 0.00 C ATOM 1286 CG ASP A 96 4.956 -3.716 7.527 1.00 0.00 C ATOM 1287 OD1 ASP A 96 5.011 -4.907 7.156 1.00 0.00 O ATOM 1288 OD2 ASP A 96 4.505 -3.417 8.643 1.00 0.00 O ATOM 0 H ASP A 96 5.875 -0.990 4.777 1.00 0.00 H new ATOM 0 HA ASP A 96 3.961 -3.015 5.094 1.00 0.00 H new ATOM 0 HB2 ASP A 96 6.297 -3.012 6.018 1.00 0.00 H new ATOM 0 HB3 ASP A 96 5.814 -1.789 7.177 1.00 0.00 H new ATOM 1293 N LEU A 97 3.531 -0.306 6.913 1.00 0.00 N ATOM 1294 CA LEU A 97 2.590 0.417 7.748 1.00 0.00 C ATOM 1295 C LEU A 97 1.282 0.694 7.046 1.00 0.00 C ATOM 1296 O LEU A 97 0.211 0.459 7.614 1.00 0.00 O ATOM 1297 CB LEU A 97 3.203 1.703 8.298 1.00 0.00 C ATOM 1298 CG LEU A 97 4.405 1.509 9.216 1.00 0.00 C ATOM 1299 CD1 LEU A 97 4.905 2.840 9.748 1.00 0.00 C ATOM 1300 CD2 LEU A 97 4.058 0.549 10.343 1.00 0.00 C ATOM 0 H LEU A 97 4.406 0.189 6.742 1.00 0.00 H new ATOM 0 HA LEU A 97 2.362 -0.236 8.590 1.00 0.00 H new ATOM 0 HB2 LEU A 97 3.504 2.330 7.459 1.00 0.00 H new ATOM 0 HB3 LEU A 97 2.433 2.249 8.844 1.00 0.00 H new ATOM 0 HG LEU A 97 5.217 1.069 8.637 1.00 0.00 H new ATOM 0 HD11 LEU A 97 5.762 2.672 10.400 1.00 0.00 H new ATOM 0 HD12 LEU A 97 5.202 3.477 8.915 1.00 0.00 H new ATOM 0 HD13 LEU A 97 4.110 3.328 10.312 1.00 0.00 H new ATOM 0 HD21 LEU A 97 4.925 0.420 10.991 1.00 0.00 H new ATOM 0 HD22 LEU A 97 3.229 0.954 10.923 1.00 0.00 H new ATOM 0 HD23 LEU A 97 3.771 -0.415 9.924 1.00 0.00 H new ATOM 1312 N LEU A 98 1.346 1.175 5.825 1.00 0.00 N ATOM 1313 CA LEU A 98 0.131 1.435 5.084 1.00 0.00 C ATOM 1314 C LEU A 98 -0.549 0.121 4.667 1.00 0.00 C ATOM 1315 O LEU A 98 -1.753 0.082 4.509 1.00 0.00 O ATOM 1316 CB LEU A 98 0.376 2.373 3.894 1.00 0.00 C ATOM 1317 CG LEU A 98 1.140 1.787 2.723 1.00 0.00 C ATOM 1318 CD1 LEU A 98 0.192 1.125 1.724 1.00 0.00 C ATOM 1319 CD2 LEU A 98 2.035 2.816 2.059 1.00 0.00 C ATOM 0 H LEU A 98 2.211 1.391 5.330 1.00 0.00 H new ATOM 0 HA LEU A 98 -0.559 1.959 5.746 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -0.590 2.724 3.531 1.00 0.00 H new ATOM 0 HB3 LEU A 98 0.919 3.247 4.254 1.00 0.00 H new ATOM 0 HG LEU A 98 1.797 1.011 3.115 1.00 0.00 H new ATOM 0 HD11 LEU A 98 0.767 0.713 0.895 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -0.356 0.323 2.219 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -0.512 1.866 1.345 1.00 0.00 H new ATOM 0 HD21 LEU A 98 2.564 2.354 1.225 1.00 0.00 H new ATOM 0 HD22 LEU A 98 1.428 3.643 1.690 1.00 0.00 H new ATOM 0 HD23 LEU A 98 2.757 3.192 2.784 1.00 0.00 H new ATOM 1331 N LEU A 99 0.239 -0.962 4.497 1.00 0.00 N ATOM 1332 CA LEU A 99 -0.317 -2.265 4.116 1.00 0.00 C ATOM 1333 C LEU A 99 -1.145 -2.765 5.272 1.00 0.00 C ATOM 1334 O LEU A 99 -2.233 -3.310 5.100 1.00 0.00 O ATOM 1335 CB LEU A 99 0.811 -3.269 3.728 1.00 0.00 C ATOM 1336 CG LEU A 99 0.421 -4.610 3.029 1.00 0.00 C ATOM 1337 CD1 LEU A 99 1.666 -5.288 2.497 1.00 0.00 C ATOM 1338 CD2 LEU A 99 -0.294 -5.577 3.971 1.00 0.00 C ATOM 0 H LEU A 99 1.252 -0.954 4.618 1.00 0.00 H new ATOM 0 HA LEU A 99 -0.946 -2.166 3.231 1.00 0.00 H new ATOM 0 HB2 LEU A 99 1.506 -2.746 3.072 1.00 0.00 H new ATOM 0 HB3 LEU A 99 1.357 -3.518 4.638 1.00 0.00 H new ATOM 0 HG LEU A 99 -0.264 -4.358 2.220 1.00 0.00 H new ATOM 0 HD11 LEU A 99 1.391 -6.223 2.010 1.00 0.00 H new ATOM 0 HD12 LEU A 99 2.157 -4.634 1.776 1.00 0.00 H new ATOM 0 HD13 LEU A 99 2.348 -5.495 3.322 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -0.542 -6.492 3.433 1.00 0.00 H new ATOM 0 HD22 LEU A 99 0.358 -5.815 4.811 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -1.209 -5.115 4.341 1.00 0.00 H new ATOM 1350 N LYS A 100 -0.644 -2.521 6.448 1.00 0.00 N ATOM 1351 CA LYS A 100 -1.329 -2.836 7.648 1.00 0.00 C ATOM 1352 C LYS A 100 -2.527 -1.928 7.805 1.00 0.00 C ATOM 1353 O LYS A 100 -3.532 -2.318 8.394 1.00 0.00 O ATOM 1354 CB LYS A 100 -0.405 -2.827 8.881 1.00 0.00 C ATOM 1355 CG LYS A 100 0.377 -4.134 9.134 1.00 0.00 C ATOM 1356 CD LYS A 100 1.211 -4.581 7.941 1.00 0.00 C ATOM 1357 CE LYS A 100 2.023 -5.831 8.250 1.00 0.00 C ATOM 1358 NZ LYS A 100 3.048 -5.594 9.295 1.00 0.00 N ATOM 0 H LYS A 100 0.269 -2.090 6.593 1.00 0.00 H new ATOM 0 HA LYS A 100 -1.689 -3.863 7.577 1.00 0.00 H new ATOM 0 HB2 LYS A 100 0.310 -2.012 8.772 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -1.007 -2.607 9.763 1.00 0.00 H new ATOM 0 HG2 LYS A 100 1.032 -3.996 9.994 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -0.327 -4.925 9.393 1.00 0.00 H new ATOM 0 HD2 LYS A 100 0.555 -4.775 7.092 1.00 0.00 H new ATOM 0 HD3 LYS A 100 1.883 -3.775 7.646 1.00 0.00 H new ATOM 0 HE2 LYS A 100 1.352 -6.626 8.576 1.00 0.00 H new ATOM 0 HE3 LYS A 100 2.510 -6.179 7.339 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 3.881 -6.187 9.105 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 3.327 -4.592 9.287 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 2.656 -5.837 10.227 1.00 0.00 H new ATOM 1372 N ASP A 101 -2.421 -0.698 7.292 1.00 0.00 N ATOM 1373 CA ASP A 101 -3.556 0.221 7.363 1.00 0.00 C ATOM 1374 C ASP A 101 -4.665 -0.285 6.431 1.00 0.00 C ATOM 1375 O ASP A 101 -5.850 -0.275 6.789 1.00 0.00 O ATOM 1376 CB ASP A 101 -3.167 1.660 7.009 1.00 0.00 C ATOM 1377 CG ASP A 101 -4.266 2.661 7.339 1.00 0.00 C ATOM 1378 OD1 ASP A 101 -5.196 2.860 6.549 1.00 0.00 O ATOM 1379 OD2 ASP A 101 -4.202 3.289 8.413 1.00 0.00 O ATOM 0 H ASP A 101 -1.587 -0.326 6.837 1.00 0.00 H new ATOM 0 HA ASP A 101 -3.913 0.243 8.393 1.00 0.00 H new ATOM 0 HB2 ASP A 101 -2.260 1.931 7.549 1.00 0.00 H new ATOM 0 HB3 ASP A 101 -2.934 1.719 5.946 1.00 0.00 H new ATOM 1384 N LEU A 102 -4.244 -0.773 5.247 1.00 0.00 N ATOM 1385 CA LEU A 102 -5.133 -1.415 4.268 1.00 0.00 C ATOM 1386 C LEU A 102 -5.852 -2.567 4.929 1.00 0.00 C ATOM 1387 O LEU A 102 -7.060 -2.679 4.851 1.00 0.00 O ATOM 1388 CB LEU A 102 -4.338 -1.972 3.058 1.00 0.00 C ATOM 1389 CG LEU A 102 -3.632 -0.975 2.132 1.00 0.00 C ATOM 1390 CD1 LEU A 102 -2.783 -1.721 1.115 1.00 0.00 C ATOM 1391 CD2 LEU A 102 -4.646 -0.124 1.396 1.00 0.00 C ATOM 0 H LEU A 102 -3.271 -0.731 4.945 1.00 0.00 H new ATOM 0 HA LEU A 102 -5.837 -0.663 3.913 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -3.585 -2.659 3.443 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -5.026 -2.560 2.451 1.00 0.00 H new ATOM 0 HG LEU A 102 -2.998 -0.333 2.743 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -2.285 -1.005 0.461 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -2.035 -2.319 1.635 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -3.420 -2.375 0.519 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -4.127 0.578 0.743 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -5.293 -0.765 0.798 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -5.249 0.429 2.117 1.00 0.00 H new ATOM 1403 N LYS A 103 -5.081 -3.391 5.612 1.00 0.00 N ATOM 1404 CA LYS A 103 -5.560 -4.551 6.305 1.00 0.00 C ATOM 1405 C LYS A 103 -6.587 -4.168 7.385 1.00 0.00 C ATOM 1406 O LYS A 103 -7.604 -4.819 7.528 1.00 0.00 O ATOM 1407 CB LYS A 103 -4.344 -5.235 6.910 1.00 0.00 C ATOM 1408 CG LYS A 103 -4.557 -6.586 7.535 1.00 0.00 C ATOM 1409 CD LYS A 103 -3.222 -7.081 8.048 1.00 0.00 C ATOM 1410 CE LYS A 103 -3.298 -8.467 8.686 1.00 0.00 C ATOM 1411 NZ LYS A 103 -3.650 -9.524 7.723 1.00 0.00 N ATOM 0 H LYS A 103 -4.073 -3.259 5.697 1.00 0.00 H new ATOM 0 HA LYS A 103 -6.077 -5.225 5.622 1.00 0.00 H new ATOM 0 HB2 LYS A 103 -3.591 -5.339 6.129 1.00 0.00 H new ATOM 0 HB3 LYS A 103 -3.927 -4.573 7.669 1.00 0.00 H new ATOM 0 HG2 LYS A 103 -5.277 -6.519 8.350 1.00 0.00 H new ATOM 0 HG3 LYS A 103 -4.967 -7.283 6.804 1.00 0.00 H new ATOM 0 HD2 LYS A 103 -2.510 -7.107 7.223 1.00 0.00 H new ATOM 0 HD3 LYS A 103 -2.836 -6.372 8.780 1.00 0.00 H new ATOM 0 HE2 LYS A 103 -2.337 -8.704 9.143 1.00 0.00 H new ATOM 0 HE3 LYS A 103 -4.037 -8.452 9.487 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 -3.620 -10.449 8.197 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 -4.608 -9.354 7.355 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 -2.971 -9.517 6.936 1.00 0.00 H new ATOM 1425 N ALA A 104 -6.348 -3.078 8.086 1.00 0.00 N ATOM 1426 CA ALA A 104 -7.237 -2.652 9.150 1.00 0.00 C ATOM 1427 C ALA A 104 -8.548 -2.153 8.574 1.00 0.00 C ATOM 1428 O ALA A 104 -9.647 -2.486 9.080 1.00 0.00 O ATOM 1429 CB ALA A 104 -6.581 -1.576 10.000 1.00 0.00 C ATOM 0 H ALA A 104 -5.543 -2.469 7.938 1.00 0.00 H new ATOM 0 HA ALA A 104 -7.445 -3.510 9.790 1.00 0.00 H new ATOM 0 HB1 ALA A 104 -7.265 -1.271 10.792 1.00 0.00 H new ATOM 0 HB2 ALA A 104 -5.666 -1.969 10.442 1.00 0.00 H new ATOM 0 HB3 ALA A 104 -6.341 -0.715 9.376 1.00 0.00 H new ATOM 1435 N LEU A 105 -8.447 -1.403 7.484 1.00 0.00 N ATOM 1436 CA LEU A 105 -9.613 -0.857 6.854 1.00 0.00 C ATOM 1437 C LEU A 105 -10.376 -1.989 6.209 1.00 0.00 C ATOM 1438 O LEU A 105 -11.572 -1.963 6.159 1.00 0.00 O ATOM 1439 CB LEU A 105 -9.292 0.290 5.858 1.00 0.00 C ATOM 1440 CG LEU A 105 -9.012 -0.087 4.396 1.00 0.00 C ATOM 1441 CD1 LEU A 105 -10.294 -0.064 3.563 1.00 0.00 C ATOM 1442 CD2 LEU A 105 -7.953 0.806 3.791 1.00 0.00 C ATOM 0 H LEU A 105 -7.565 -1.167 7.028 1.00 0.00 H new ATOM 0 HA LEU A 105 -10.235 -0.384 7.614 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -10.130 0.987 5.869 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -8.424 0.829 6.237 1.00 0.00 H new ATOM 0 HG LEU A 105 -8.628 -1.107 4.388 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -10.063 -0.335 2.533 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -11.008 -0.777 3.975 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -10.726 0.937 3.587 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -7.778 0.513 2.756 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -8.289 1.842 3.823 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -7.027 0.707 4.357 1.00 0.00 H new ATOM 1454 N GLN A 106 -9.637 -2.987 5.728 1.00 0.00 N ATOM 1455 CA GLN A 106 -10.200 -4.161 5.089 1.00 0.00 C ATOM 1456 C GLN A 106 -11.134 -4.841 6.029 1.00 0.00 C ATOM 1457 O GLN A 106 -12.222 -5.159 5.646 1.00 0.00 O ATOM 1458 CB GLN A 106 -9.086 -5.126 4.702 1.00 0.00 C ATOM 1459 CG GLN A 106 -9.542 -6.390 4.007 1.00 0.00 C ATOM 1460 CD GLN A 106 -8.487 -7.470 4.081 1.00 0.00 C ATOM 1461 OE1 GLN A 106 -8.479 -8.284 5.007 1.00 0.00 O ATOM 1462 NE2 GLN A 106 -7.589 -7.491 3.151 1.00 0.00 N ATOM 0 H GLN A 106 -8.618 -2.997 5.775 1.00 0.00 H new ATOM 0 HA GLN A 106 -10.739 -3.854 4.193 1.00 0.00 H new ATOM 0 HB2 GLN A 106 -8.385 -4.604 4.050 1.00 0.00 H new ATOM 0 HB3 GLN A 106 -8.538 -5.403 5.602 1.00 0.00 H new ATOM 0 HG2 GLN A 106 -10.464 -6.747 4.466 1.00 0.00 H new ATOM 0 HG3 GLN A 106 -9.769 -6.172 2.964 1.00 0.00 H new ATOM 0 HE21 GLN A 106 -7.620 -6.805 2.397 1.00 0.00 H new ATOM 0 HE22 GLN A 106 -6.850 -8.193 3.172 1.00 0.00 H new ATOM 1471 N LYS A 107 -10.726 -5.029 7.261 1.00 0.00 N ATOM 1472 CA LYS A 107 -11.607 -5.660 8.230 1.00 0.00 C ATOM 1473 C LYS A 107 -12.781 -4.791 8.575 1.00 0.00 C ATOM 1474 O LYS A 107 -13.865 -5.311 8.791 1.00 0.00 O ATOM 1475 CB LYS A 107 -10.906 -6.183 9.485 1.00 0.00 C ATOM 1476 CG LYS A 107 -10.104 -7.479 9.311 1.00 0.00 C ATOM 1477 CD LYS A 107 -8.848 -7.290 8.501 1.00 0.00 C ATOM 1478 CE LYS A 107 -8.097 -8.589 8.303 1.00 0.00 C ATOM 1479 NZ LYS A 107 -8.830 -9.538 7.437 1.00 0.00 N ATOM 0 H LYS A 107 -9.808 -4.762 7.618 1.00 0.00 H new ATOM 0 HA LYS A 107 -11.981 -6.549 7.722 1.00 0.00 H new ATOM 0 HB2 LYS A 107 -10.233 -5.408 9.852 1.00 0.00 H new ATOM 0 HB3 LYS A 107 -11.658 -6.344 10.258 1.00 0.00 H new ATOM 0 HG2 LYS A 107 -9.841 -7.871 10.293 1.00 0.00 H new ATOM 0 HG3 LYS A 107 -10.733 -8.227 8.827 1.00 0.00 H new ATOM 0 HD2 LYS A 107 -9.104 -6.868 7.529 1.00 0.00 H new ATOM 0 HD3 LYS A 107 -8.200 -6.570 9.000 1.00 0.00 H new ATOM 0 HE2 LYS A 107 -7.122 -8.378 7.863 1.00 0.00 H new ATOM 0 HE3 LYS A 107 -7.916 -9.052 9.273 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 -8.634 -10.512 7.746 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 -9.851 -9.352 7.504 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 -8.521 -9.419 6.451 1.00 0.00 H new ATOM 1493 N ARG A 108 -12.586 -3.472 8.579 1.00 0.00 N ATOM 1494 CA ARG A 108 -13.689 -2.561 8.812 1.00 0.00 C ATOM 1495 C ARG A 108 -14.685 -2.733 7.689 1.00 0.00 C ATOM 1496 O ARG A 108 -15.876 -2.987 7.912 1.00 0.00 O ATOM 1497 CB ARG A 108 -13.221 -1.088 8.839 1.00 0.00 C ATOM 1498 CG ARG A 108 -14.390 -0.109 8.904 1.00 0.00 C ATOM 1499 CD ARG A 108 -13.989 1.339 8.688 1.00 0.00 C ATOM 1500 NE ARG A 108 -15.193 2.183 8.561 1.00 0.00 N ATOM 1501 CZ ARG A 108 -15.363 3.164 7.659 1.00 0.00 C ATOM 1502 NH1 ARG A 108 -14.341 3.587 6.925 1.00 0.00 N ATOM 1503 NH2 ARG A 108 -16.554 3.738 7.524 1.00 0.00 N ATOM 0 H ARG A 108 -11.684 -3.022 8.425 1.00 0.00 H new ATOM 0 HA ARG A 108 -14.131 -2.791 9.781 1.00 0.00 H new ATOM 0 HB2 ARG A 108 -12.571 -0.932 9.700 1.00 0.00 H new ATOM 0 HB3 ARG A 108 -12.627 -0.882 7.949 1.00 0.00 H new ATOM 0 HG2 ARG A 108 -15.128 -0.388 8.152 1.00 0.00 H new ATOM 0 HG3 ARG A 108 -14.875 -0.201 9.876 1.00 0.00 H new ATOM 0 HD2 ARG A 108 -13.379 1.684 9.523 1.00 0.00 H new ATOM 0 HD3 ARG A 108 -13.378 1.426 7.790 1.00 0.00 H new ATOM 0 HE ARG A 108 -15.959 2.007 9.211 1.00 0.00 H new ATOM 0 HH11 ARG A 108 -13.419 3.167 7.044 1.00 0.00 H new ATOM 0 HH12 ARG A 108 -14.478 4.332 6.242 1.00 0.00 H new ATOM 0 HH21 ARG A 108 -17.336 3.433 8.104 1.00 0.00 H new ATOM 0 HH22 ARG A 108 -16.686 4.483 6.840 1.00 0.00 H new ATOM 1517 N VAL A 109 -14.166 -2.673 6.484 1.00 0.00 N ATOM 1518 CA VAL A 109 -14.961 -2.731 5.307 1.00 0.00 C ATOM 1519 C VAL A 109 -15.638 -4.099 5.116 1.00 0.00 C ATOM 1520 O VAL A 109 -16.836 -4.151 4.819 1.00 0.00 O ATOM 1521 CB VAL A 109 -14.157 -2.278 4.062 1.00 0.00 C ATOM 1522 CG1 VAL A 109 -14.957 -2.415 2.781 1.00 0.00 C ATOM 1523 CG2 VAL A 109 -13.734 -0.832 4.232 1.00 0.00 C ATOM 0 H VAL A 109 -13.166 -2.581 6.305 1.00 0.00 H new ATOM 0 HA VAL A 109 -15.777 -2.020 5.434 1.00 0.00 H new ATOM 0 HB VAL A 109 -13.285 -2.927 3.982 1.00 0.00 H new ATOM 0 HG11 VAL A 109 -14.351 -2.085 1.937 1.00 0.00 H new ATOM 0 HG12 VAL A 109 -15.241 -3.458 2.639 1.00 0.00 H new ATOM 0 HG13 VAL A 109 -15.855 -1.800 2.845 1.00 0.00 H new ATOM 0 HG21 VAL A 109 -13.168 -0.513 3.357 1.00 0.00 H new ATOM 0 HG22 VAL A 109 -14.619 -0.205 4.341 1.00 0.00 H new ATOM 0 HG23 VAL A 109 -13.110 -0.737 5.121 1.00 0.00 H new ATOM 1533 N GLN A 110 -14.900 -5.195 5.329 1.00 0.00 N ATOM 1534 CA GLN A 110 -15.488 -6.528 5.203 1.00 0.00 C ATOM 1535 C GLN A 110 -16.543 -6.770 6.248 1.00 0.00 C ATOM 1536 O GLN A 110 -17.511 -7.487 6.017 1.00 0.00 O ATOM 1537 CB GLN A 110 -14.478 -7.698 5.140 1.00 0.00 C ATOM 1538 CG GLN A 110 -13.526 -7.783 6.299 1.00 0.00 C ATOM 1539 CD GLN A 110 -12.614 -8.998 6.270 1.00 0.00 C ATOM 1540 OE1 GLN A 110 -11.477 -8.936 6.728 1.00 0.00 O ATOM 1541 NE2 GLN A 110 -13.107 -10.112 5.791 1.00 0.00 N ATOM 0 H GLN A 110 -13.913 -5.185 5.585 1.00 0.00 H new ATOM 0 HA GLN A 110 -15.958 -6.520 4.220 1.00 0.00 H new ATOM 0 HB2 GLN A 110 -15.034 -8.634 5.077 1.00 0.00 H new ATOM 0 HB3 GLN A 110 -13.899 -7.609 4.221 1.00 0.00 H new ATOM 0 HG2 GLN A 110 -12.912 -6.883 6.317 1.00 0.00 H new ATOM 0 HG3 GLN A 110 -14.100 -7.796 7.226 1.00 0.00 H new ATOM 0 HE21 GLN A 110 -14.056 -10.131 5.417 1.00 0.00 H new ATOM 0 HE22 GLN A 110 -12.542 -10.961 5.791 1.00 0.00 H new ATOM 1550 N ASP A 111 -16.357 -6.170 7.396 1.00 0.00 N ATOM 1551 CA ASP A 111 -17.279 -6.353 8.483 1.00 0.00 C ATOM 1552 C ASP A 111 -18.561 -5.532 8.314 1.00 0.00 C ATOM 1553 O ASP A 111 -19.615 -5.926 8.798 1.00 0.00 O ATOM 1554 CB ASP A 111 -16.619 -6.047 9.826 1.00 0.00 C ATOM 1555 CG ASP A 111 -17.535 -6.236 11.008 1.00 0.00 C ATOM 1556 OD1 ASP A 111 -17.718 -7.386 11.457 1.00 0.00 O ATOM 1557 OD2 ASP A 111 -18.047 -5.239 11.540 1.00 0.00 O ATOM 0 H ASP A 111 -15.573 -5.550 7.600 1.00 0.00 H new ATOM 0 HA ASP A 111 -17.567 -7.404 8.468 1.00 0.00 H new ATOM 0 HB2 ASP A 111 -15.747 -6.690 9.947 1.00 0.00 H new ATOM 0 HB3 ASP A 111 -16.258 -5.018 9.818 1.00 0.00 H new ATOM 1562 N SER A 112 -18.476 -4.402 7.608 1.00 0.00 N ATOM 1563 CA SER A 112 -19.634 -3.514 7.467 1.00 0.00 C ATOM 1564 C SER A 112 -20.812 -4.181 6.711 1.00 0.00 C ATOM 1565 O SER A 112 -21.952 -4.191 7.202 1.00 0.00 O ATOM 1566 CB SER A 112 -19.231 -2.246 6.708 1.00 0.00 C ATOM 1567 OG SER A 112 -18.116 -1.595 7.290 1.00 0.00 O ATOM 0 H SER A 112 -17.632 -4.083 7.132 1.00 0.00 H new ATOM 0 HA SER A 112 -19.968 -3.277 8.477 1.00 0.00 H new ATOM 0 HB2 SER A 112 -18.998 -2.504 5.675 1.00 0.00 H new ATOM 0 HB3 SER A 112 -20.076 -1.558 6.682 1.00 0.00 H new ATOM 0 HG SER A 112 -17.350 -2.206 7.301 1.00 0.00 H new ATOM 1573 N GLU A 113 -20.516 -4.819 5.593 1.00 0.00 N ATOM 1574 CA GLU A 113 -21.547 -5.364 4.729 1.00 0.00 C ATOM 1575 C GLU A 113 -21.306 -6.838 4.516 1.00 0.00 C ATOM 1576 O GLU A 113 -21.902 -7.660 5.238 1.00 0.00 O ATOM 1577 CB GLU A 113 -21.556 -4.640 3.368 1.00 0.00 C ATOM 1578 CG GLU A 113 -21.859 -3.143 3.420 1.00 0.00 C ATOM 1579 CD GLU A 113 -23.256 -2.836 3.891 1.00 0.00 C ATOM 1580 OE1 GLU A 113 -24.207 -3.026 3.116 1.00 0.00 O ATOM 1581 OE2 GLU A 113 -23.424 -2.394 5.048 1.00 0.00 O ATOM 1582 OXT GLU A 113 -20.488 -7.185 3.647 1.00 0.00 O ATOM 0 H GLU A 113 -19.564 -4.973 5.261 1.00 0.00 H new ATOM 0 HA GLU A 113 -22.514 -5.216 5.209 1.00 0.00 H new ATOM 0 HB2 GLU A 113 -20.584 -4.780 2.896 1.00 0.00 H new ATOM 0 HB3 GLU A 113 -22.294 -5.120 2.726 1.00 0.00 H new ATOM 0 HG2 GLU A 113 -21.144 -2.657 4.084 1.00 0.00 H new ATOM 0 HG3 GLU A 113 -21.715 -2.715 2.428 1.00 0.00 H new TER 1589 GLU A 113