USER MOD reduce.3.24.130724 H: found=0, std=0, add=704, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 699 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 64 GLN : amide:sc= -0.506 X(o=-0.27,f=-0.4) USER MOD Set 1.2: A 67 GLN : amide:sc= 0.239 K(o=-0.27,f=-0.92) USER MOD Set 2.1: A 33 SER OG : rot 77:sc= 1.21 USER MOD Set 2.2: A 34 ASN : amide:sc= 1.69 K(o=2.9,f=0.17) USER MOD Set 3.1: A 15 SER OG : rot -147:sc= 0.148 USER MOD Set 3.2: A 78 LYS NZ :NH3+ -170:sc= -2.02 (180deg=-2.88!) USER MOD Single : A 1 GLY N :NH3+ -108:sc= 0.0742 (180deg=0) USER MOD Single : A 2 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 3 MET CE :methyl -138:sc= 0 (180deg=-0.00404) USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 ASN : amide:sc= 1.01 K(o=1,f=-1.1) USER MOD Single : A 12 ASN : amide:sc= 0.995 K(o=1,f=-0.91) USER MOD Single : A 14 HIS : no HE2:sc= 0.866 K(o=0.87,f=-3.2!) USER MOD Single : A 16 THR OG1 : rot 180:sc= -0.378 USER MOD Single : A 17 MET CE :methyl 178:sc= 0 (180deg=-0.00437) USER MOD Single : A 19 SER OG : rot -130:sc= 0.0352 USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 43 THR OG1 : rot 170:sc= -0.501 USER MOD Single : A 44 GLN : amide:sc= -0.155 X(o=-0.15,f=-0.16) USER MOD Single : A 46 ASN : amide:sc= 1.64 K(o=1.6,f=-6.5!) USER MOD Single : A 53 GLN : amide:sc= -2.43 K(o=-2.4,f=-0.43) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 GLN : amide:sc= -1.37 K(o=-1.4,f=-0.23) USER MOD Single : A 70 HIS : no HD1:sc= -0.0573 X(o=-0.057,f=-0.54) USER MOD Single : A 74 THR OG1 : rot -150:sc=-0.00447 USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 81 ASN : amide:sc= -0.756 K(o=-0.76,f=-0.0032) USER MOD Single : A 86 LYS NZ :NH3+ -169:sc= 1.22 (180deg=1.05) USER MOD Single : A 88 SER OG : rot 180:sc= -0.0412 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 7.275 17.715 -3.328 1.00 22.25 N ATOM 2 CA GLY A 1 7.216 16.400 -3.980 1.00 21.02 C ATOM 3 C GLY A 1 6.896 15.332 -2.952 1.00 74.01 C ATOM 4 O GLY A 1 7.262 15.483 -1.789 1.00 50.42 O ATOM 0 H1 GLY A 1 6.442 18.275 -3.599 1.00 22.25 H new ATOM 0 H2 GLY A 1 7.287 17.590 -2.296 1.00 22.25 H new ATOM 0 H3 GLY A 1 8.138 18.212 -3.627 1.00 22.25 H new ATOM 0 HA2 GLY A 1 6.456 16.405 -4.762 1.00 21.02 H new ATOM 0 HA3 GLY A 1 8.168 16.180 -4.463 1.00 21.02 H new ATOM 8 N HIS A 2 6.235 14.241 -3.345 1.00 64.21 N ATOM 9 CA HIS A 2 6.134 13.027 -2.539 1.00 33.24 C ATOM 10 C HIS A 2 7.486 12.317 -2.579 1.00 31.31 C ATOM 11 O HIS A 2 7.769 11.540 -3.490 1.00 32.34 O ATOM 12 CB HIS A 2 4.986 12.138 -3.034 1.00 61.12 C ATOM 13 CG HIS A 2 3.646 12.678 -2.609 1.00 10.22 C ATOM 14 ND1 HIS A 2 2.735 13.351 -3.394 1.00 32.25 N ATOM 15 CD2 HIS A 2 3.149 12.637 -1.335 1.00 12.22 C ATOM 16 CE1 HIS A 2 1.703 13.697 -2.609 1.00 10.35 C ATOM 17 NE2 HIS A 2 1.915 13.297 -1.341 1.00 33.34 N ATOM 0 H HIS A 2 5.751 14.177 -4.241 1.00 64.21 H new ATOM 0 HA HIS A 2 5.897 13.272 -1.504 1.00 33.24 H new ATOM 0 HB2 HIS A 2 5.022 12.067 -4.121 1.00 61.12 H new ATOM 0 HB3 HIS A 2 5.113 11.128 -2.644 1.00 61.12 H new ATOM 0 HD2 HIS A 2 3.623 12.178 -0.480 1.00 12.22 H new ATOM 0 HE1 HIS A 2 0.823 14.224 -2.948 1.00 10.35 H new ATOM 0 HE2 HIS A 2 1.298 13.446 -0.542 1.00 33.34 H new ATOM 25 N MET A 3 8.361 12.647 -1.633 1.00 70.31 N ATOM 26 CA MET A 3 9.704 12.104 -1.567 1.00 42.13 C ATOM 27 C MET A 3 9.615 10.821 -0.750 1.00 13.52 C ATOM 28 O MET A 3 9.505 10.887 0.478 1.00 50.34 O ATOM 29 CB MET A 3 10.682 13.122 -0.963 1.00 23.13 C ATOM 30 CG MET A 3 10.656 14.461 -1.704 1.00 5.44 C ATOM 31 SD MET A 3 12.008 15.593 -1.293 1.00 42.33 S ATOM 32 CE MET A 3 13.357 14.843 -2.248 1.00 22.05 C ATOM 0 H MET A 3 8.150 13.307 -0.885 1.00 70.31 H new ATOM 0 HA MET A 3 10.095 11.884 -2.561 1.00 42.13 H new ATOM 0 HB2 MET A 3 10.433 13.284 0.086 1.00 23.13 H new ATOM 0 HB3 MET A 3 11.692 12.713 -0.991 1.00 23.13 H new ATOM 0 HG2 MET A 3 10.680 14.266 -2.776 1.00 5.44 H new ATOM 0 HG3 MET A 3 9.709 14.958 -1.491 1.00 5.44 H new ATOM 0 HE1 MET A 3 14.269 14.842 -1.651 1.00 22.05 H new ATOM 0 HE2 MET A 3 13.093 13.818 -2.508 1.00 22.05 H new ATOM 0 HE3 MET A 3 13.521 15.418 -3.159 1.00 22.05 H new ATOM 42 N ASP A 4 9.640 9.681 -1.444 1.00 45.41 N ATOM 43 CA ASP A 4 9.604 8.324 -0.939 1.00 71.13 C ATOM 44 C ASP A 4 8.200 7.958 -0.466 1.00 2.24 C ATOM 45 O ASP A 4 7.747 8.326 0.621 1.00 24.11 O ATOM 46 CB ASP A 4 10.705 8.064 0.086 1.00 31.25 C ATOM 47 CG ASP A 4 12.059 7.891 -0.581 1.00 73.14 C ATOM 48 OD1 ASP A 4 12.774 8.913 -0.708 1.00 13.15 O ATOM 49 OD2 ASP A 4 12.349 6.776 -1.074 1.00 14.55 O ATOM 0 H ASP A 4 9.690 9.695 -2.463 1.00 45.41 H new ATOM 0 HA ASP A 4 9.829 7.642 -1.759 1.00 71.13 H new ATOM 0 HB2 ASP A 4 10.749 8.894 0.792 1.00 31.25 H new ATOM 0 HB3 ASP A 4 10.465 7.169 0.660 1.00 31.25 H new ATOM 54 N THR A 5 7.461 7.264 -1.328 1.00 22.05 N ATOM 55 CA THR A 5 6.157 6.680 -1.037 1.00 43.40 C ATOM 56 C THR A 5 6.037 5.376 -1.829 1.00 62.30 C ATOM 57 O THR A 5 6.277 5.369 -3.037 1.00 11.34 O ATOM 58 CB THR A 5 5.064 7.705 -1.397 1.00 32.04 C ATOM 59 OG1 THR A 5 5.266 8.927 -0.708 1.00 23.31 O ATOM 60 CG2 THR A 5 3.637 7.228 -1.122 1.00 52.14 C ATOM 0 H THR A 5 7.767 7.087 -2.285 1.00 22.05 H new ATOM 0 HA THR A 5 6.038 6.443 0.020 1.00 43.40 H new ATOM 0 HB THR A 5 5.161 7.842 -2.474 1.00 32.04 H new ATOM 0 HG1 THR A 5 4.561 9.562 -0.954 1.00 23.31 H new ATOM 0 HG21 THR A 5 2.931 8.010 -1.404 1.00 52.14 H new ATOM 0 HG22 THR A 5 3.435 6.330 -1.705 1.00 52.14 H new ATOM 0 HG23 THR A 5 3.526 7.004 -0.061 1.00 52.14 H new ATOM 68 N ILE A 6 5.680 4.268 -1.176 1.00 65.41 N ATOM 69 CA ILE A 6 5.287 3.044 -1.875 1.00 62.32 C ATOM 70 C ILE A 6 3.779 3.184 -2.096 1.00 74.00 C ATOM 71 O ILE A 6 3.041 3.437 -1.144 1.00 70.00 O ATOM 72 CB ILE A 6 5.675 1.769 -1.083 1.00 64.10 C ATOM 73 CG1 ILE A 6 7.175 1.756 -0.701 1.00 73.01 C ATOM 74 CG2 ILE A 6 5.266 0.504 -1.859 1.00 24.11 C ATOM 75 CD1 ILE A 6 7.574 0.557 0.169 1.00 10.23 C ATOM 0 H ILE A 6 5.655 4.194 -0.159 1.00 65.41 H new ATOM 0 HA ILE A 6 5.811 2.925 -2.823 1.00 62.32 H new ATOM 0 HB ILE A 6 5.121 1.778 -0.144 1.00 64.10 H new ATOM 0 HG12 ILE A 6 7.774 1.749 -1.612 1.00 73.01 H new ATOM 0 HG13 ILE A 6 7.414 2.677 -0.169 1.00 73.01 H new ATOM 0 HG21 ILE A 6 5.547 -0.380 -1.287 1.00 24.11 H new ATOM 0 HG22 ILE A 6 4.188 0.507 -2.017 1.00 24.11 H new ATOM 0 HG23 ILE A 6 5.774 0.489 -2.823 1.00 24.11 H new ATOM 0 HD11 ILE A 6 8.638 0.612 0.399 1.00 10.23 H new ATOM 0 HD12 ILE A 6 7.001 0.574 1.096 1.00 10.23 H new ATOM 0 HD13 ILE A 6 7.366 -0.368 -0.369 1.00 10.23 H new ATOM 87 N ILE A 7 3.305 3.084 -3.333 1.00 64.22 N ATOM 88 CA ILE A 7 1.880 3.032 -3.646 1.00 42.52 C ATOM 89 C ILE A 7 1.488 1.555 -3.694 1.00 41.54 C ATOM 90 O ILE A 7 2.274 0.725 -4.145 1.00 1.31 O ATOM 91 CB ILE A 7 1.576 3.820 -4.950 1.00 30.05 C ATOM 92 CG1 ILE A 7 2.100 5.265 -4.796 1.00 63.23 C ATOM 93 CG2 ILE A 7 0.078 3.778 -5.309 1.00 51.54 C ATOM 94 CD1 ILE A 7 1.657 6.257 -5.877 1.00 5.54 C ATOM 0 H ILE A 7 3.905 3.036 -4.156 1.00 64.22 H new ATOM 0 HA ILE A 7 1.273 3.523 -2.885 1.00 42.52 H new ATOM 0 HB ILE A 7 2.093 3.346 -5.785 1.00 30.05 H new ATOM 0 HG12 ILE A 7 1.778 5.646 -3.827 1.00 63.23 H new ATOM 0 HG13 ILE A 7 3.190 5.236 -4.781 1.00 63.23 H new ATOM 0 HG21 ILE A 7 -0.092 4.341 -6.227 1.00 51.54 H new ATOM 0 HG22 ILE A 7 -0.232 2.743 -5.455 1.00 51.54 H new ATOM 0 HG23 ILE A 7 -0.503 4.220 -4.499 1.00 51.54 H new ATOM 0 HD11 ILE A 7 2.084 7.238 -5.668 1.00 5.54 H new ATOM 0 HD12 ILE A 7 2.002 5.912 -6.851 1.00 5.54 H new ATOM 0 HD13 ILE A 7 0.569 6.328 -5.882 1.00 5.54 H new ATOM 106 N LEU A 8 0.267 1.231 -3.269 1.00 53.43 N ATOM 107 CA LEU A 8 -0.368 -0.048 -3.564 1.00 45.20 C ATOM 108 C LEU A 8 -1.542 0.199 -4.502 1.00 73.00 C ATOM 109 O LEU A 8 -2.132 1.281 -4.497 1.00 52.23 O ATOM 110 CB LEU A 8 -0.878 -0.744 -2.297 1.00 51.30 C ATOM 111 CG LEU A 8 0.165 -1.149 -1.247 1.00 43.31 C ATOM 112 CD1 LEU A 8 -0.578 -1.970 -0.184 1.00 1.43 C ATOM 113 CD2 LEU A 8 1.336 -1.962 -1.806 1.00 52.33 C ATOM 0 H LEU A 8 -0.311 1.855 -2.706 1.00 53.43 H new ATOM 0 HA LEU A 8 0.375 -0.699 -4.023 1.00 45.20 H new ATOM 0 HB2 LEU A 8 -1.600 -0.084 -1.817 1.00 51.30 H new ATOM 0 HB3 LEU A 8 -1.418 -1.641 -2.599 1.00 51.30 H new ATOM 0 HG LEU A 8 0.616 -0.242 -0.844 1.00 43.31 H new ATOM 0 HD11 LEU A 8 0.123 -2.284 0.589 1.00 1.43 H new ATOM 0 HD12 LEU A 8 -1.363 -1.360 0.264 1.00 1.43 H new ATOM 0 HD13 LEU A 8 -1.023 -2.850 -0.649 1.00 1.43 H new ATOM 0 HD21 LEU A 8 2.027 -2.207 -0.999 1.00 52.33 H new ATOM 0 HD22 LEU A 8 0.960 -2.882 -2.253 1.00 52.33 H new ATOM 0 HD23 LEU A 8 1.857 -1.376 -2.564 1.00 52.33 H new ATOM 125 N ARG A 9 -1.933 -0.827 -5.250 1.00 50.30 N ATOM 126 CA ARG A 9 -2.972 -0.822 -6.284 1.00 5.44 C ATOM 127 C ARG A 9 -3.705 -2.162 -6.246 1.00 63.01 C ATOM 128 O ARG A 9 -3.218 -3.104 -5.620 1.00 42.15 O ATOM 129 CB ARG A 9 -2.283 -0.675 -7.645 1.00 5.12 C ATOM 130 CG ARG A 9 -1.960 0.728 -8.131 1.00 30.45 C ATOM 131 CD ARG A 9 -1.365 0.598 -9.543 1.00 13.25 C ATOM 132 NE ARG A 9 -2.433 0.466 -10.548 1.00 23.01 N ATOM 133 CZ ARG A 9 -2.382 0.854 -11.825 1.00 3.11 C ATOM 134 NH1 ARG A 9 -1.300 1.421 -12.345 1.00 51.41 N ATOM 135 NH2 ARG A 9 -3.452 0.679 -12.582 1.00 3.14 N ATOM 0 H ARG A 9 -1.506 -1.748 -5.146 1.00 50.30 H new ATOM 0 HA ARG A 9 -3.677 -0.007 -6.120 1.00 5.44 H new ATOM 0 HB2 ARG A 9 -1.351 -1.240 -7.611 1.00 5.12 H new ATOM 0 HB3 ARG A 9 -2.917 -1.151 -8.394 1.00 5.12 H new ATOM 0 HG2 ARG A 9 -2.858 1.345 -8.148 1.00 30.45 H new ATOM 0 HG3 ARG A 9 -1.252 1.214 -7.459 1.00 30.45 H new ATOM 0 HD2 ARG A 9 -0.754 1.472 -9.767 1.00 13.25 H new ATOM 0 HD3 ARG A 9 -0.708 -0.270 -9.587 1.00 13.25 H new ATOM 0 HE ARG A 9 -3.302 0.033 -10.236 1.00 23.01 H new ATOM 0 HH11 ARG A 9 -0.475 1.572 -11.765 1.00 51.41 H new ATOM 0 HH12 ARG A 9 -1.294 1.706 -13.324 1.00 51.41 H new ATOM 0 HH21 ARG A 9 -4.292 0.256 -12.188 1.00 3.14 H new ATOM 0 HH22 ARG A 9 -3.437 0.967 -13.560 1.00 3.14 H new ATOM 149 N ASN A 10 -4.830 -2.268 -6.956 1.00 51.55 N ATOM 150 CA ASN A 10 -5.703 -3.446 -6.970 1.00 54.55 C ATOM 151 C ASN A 10 -6.230 -3.777 -5.567 1.00 51.34 C ATOM 152 O ASN A 10 -6.460 -4.928 -5.207 1.00 21.23 O ATOM 153 CB ASN A 10 -5.057 -4.637 -7.704 1.00 22.10 C ATOM 154 CG ASN A 10 -6.046 -5.778 -7.946 1.00 33.30 C ATOM 155 OD1 ASN A 10 -7.228 -5.553 -8.195 1.00 44.14 O ATOM 156 ND2 ASN A 10 -5.584 -7.014 -7.876 1.00 42.11 N ATOM 0 H ASN A 10 -5.170 -1.515 -7.555 1.00 51.55 H new ATOM 0 HA ASN A 10 -6.587 -3.202 -7.559 1.00 54.55 H new ATOM 0 HB2 ASN A 10 -4.657 -4.298 -8.659 1.00 22.10 H new ATOM 0 HB3 ASN A 10 -4.215 -5.007 -7.119 1.00 22.10 H new ATOM 0 HD21 ASN A 10 -6.212 -7.803 -8.030 1.00 42.11 H new ATOM 0 HD22 ASN A 10 -4.599 -7.179 -7.668 1.00 42.11 H new ATOM 163 N LEU A 11 -6.414 -2.765 -4.717 1.00 30.44 N ATOM 164 CA LEU A 11 -7.142 -2.918 -3.476 1.00 44.21 C ATOM 165 C LEU A 11 -8.605 -3.123 -3.879 1.00 24.31 C ATOM 166 O LEU A 11 -9.191 -2.261 -4.537 1.00 74.33 O ATOM 167 CB LEU A 11 -6.967 -1.659 -2.619 1.00 31.00 C ATOM 168 CG LEU A 11 -5.548 -1.336 -2.107 1.00 5.11 C ATOM 169 CD1 LEU A 11 -5.064 -2.225 -0.956 1.00 73.01 C ATOM 170 CD2 LEU A 11 -4.436 -1.299 -3.144 1.00 54.41 C ATOM 0 H LEU A 11 -6.060 -1.822 -4.878 1.00 30.44 H new ATOM 0 HA LEU A 11 -6.784 -3.758 -2.881 1.00 44.21 H new ATOM 0 HB2 LEU A 11 -7.317 -0.806 -3.200 1.00 31.00 H new ATOM 0 HB3 LEU A 11 -7.624 -1.747 -1.754 1.00 31.00 H new ATOM 0 HG LEU A 11 -5.717 -0.318 -1.757 1.00 5.11 H new ATOM 0 HD11 LEU A 11 -4.058 -1.925 -0.663 1.00 73.01 H new ATOM 0 HD12 LEU A 11 -5.737 -2.118 -0.106 1.00 73.01 H new ATOM 0 HD13 LEU A 11 -5.052 -3.266 -1.280 1.00 73.01 H new ATOM 0 HD21 LEU A 11 -3.491 -1.062 -2.656 1.00 54.41 H new ATOM 0 HD22 LEU A 11 -4.359 -2.272 -3.630 1.00 54.41 H new ATOM 0 HD23 LEU A 11 -4.660 -0.537 -3.891 1.00 54.41 H new ATOM 182 N ASN A 12 -9.191 -4.262 -3.517 1.00 34.30 N ATOM 183 CA ASN A 12 -10.632 -4.469 -3.660 1.00 54.11 C ATOM 184 C ASN A 12 -11.315 -3.546 -2.662 1.00 51.53 C ATOM 185 O ASN A 12 -10.727 -3.256 -1.617 1.00 61.32 O ATOM 186 CB ASN A 12 -11.046 -5.910 -3.331 1.00 30.31 C ATOM 187 CG ASN A 12 -11.322 -6.799 -4.520 1.00 62.14 C ATOM 188 OD1 ASN A 12 -10.890 -6.527 -5.634 1.00 54.34 O ATOM 189 ND2 ASN A 12 -11.997 -7.900 -4.260 1.00 42.32 N ATOM 0 H ASN A 12 -8.690 -5.058 -3.122 1.00 34.30 H new ATOM 0 HA ASN A 12 -10.916 -4.266 -4.692 1.00 54.11 H new ATOM 0 HB2 ASN A 12 -10.258 -6.368 -2.733 1.00 30.31 H new ATOM 0 HB3 ASN A 12 -11.940 -5.879 -2.709 1.00 30.31 H new ATOM 0 HD21 ASN A 12 -12.181 -8.573 -5.004 1.00 42.32 H new ATOM 0 HD22 ASN A 12 -12.335 -8.080 -3.315 1.00 42.32 H new ATOM 196 N PRO A 13 -12.564 -3.143 -2.917 1.00 45.24 N ATOM 197 CA PRO A 13 -13.246 -2.146 -2.109 1.00 51.22 C ATOM 198 C PRO A 13 -13.707 -2.689 -0.755 1.00 1.02 C ATOM 199 O PRO A 13 -14.079 -1.894 0.105 1.00 14.20 O ATOM 200 CB PRO A 13 -14.443 -1.749 -2.961 1.00 74.25 C ATOM 201 CG PRO A 13 -14.781 -3.005 -3.750 1.00 45.24 C ATOM 202 CD PRO A 13 -13.415 -3.617 -4.002 1.00 14.11 C ATOM 0 HA PRO A 13 -12.586 -1.314 -1.863 1.00 51.22 H new ATOM 0 HB2 PRO A 13 -15.282 -1.431 -2.343 1.00 74.25 H new ATOM 0 HB3 PRO A 13 -14.201 -0.917 -3.623 1.00 74.25 H new ATOM 0 HG2 PRO A 13 -15.428 -3.676 -3.185 1.00 45.24 H new ATOM 0 HG3 PRO A 13 -15.298 -2.772 -4.681 1.00 45.24 H new ATOM 0 HD2 PRO A 13 -13.469 -4.706 -4.010 1.00 14.11 H new ATOM 0 HD3 PRO A 13 -13.021 -3.310 -4.971 1.00 14.11 H new ATOM 210 N HIS A 14 -13.730 -4.014 -0.573 1.00 72.54 N ATOM 211 CA HIS A 14 -14.224 -4.644 0.645 1.00 34.54 C ATOM 212 C HIS A 14 -13.196 -4.576 1.776 1.00 22.22 C ATOM 213 O HIS A 14 -13.555 -4.713 2.945 1.00 63.11 O ATOM 214 CB HIS A 14 -14.597 -6.110 0.383 1.00 71.24 C ATOM 215 CG HIS A 14 -15.307 -6.371 -0.919 1.00 44.43 C ATOM 216 ND1 HIS A 14 -15.020 -7.390 -1.794 1.00 61.45 N ATOM 217 CD2 HIS A 14 -16.310 -5.623 -1.467 1.00 73.32 C ATOM 218 CE1 HIS A 14 -15.835 -7.267 -2.851 1.00 54.23 C ATOM 219 NE2 HIS A 14 -16.638 -6.196 -2.700 1.00 11.12 N ATOM 0 H HIS A 14 -13.403 -4.679 -1.274 1.00 72.54 H new ATOM 0 HA HIS A 14 -15.111 -4.091 0.954 1.00 34.54 H new ATOM 0 HB2 HIS A 14 -13.687 -6.709 0.408 1.00 71.24 H new ATOM 0 HB3 HIS A 14 -15.230 -6.458 1.199 1.00 71.24 H new ATOM 0 HD1 HIS A 14 -14.312 -8.112 -1.663 1.00 61.45 H new ATOM 0 HD2 HIS A 14 -16.767 -4.748 -1.028 1.00 73.32 H new ATOM 0 HE1 HIS A 14 -15.846 -7.932 -3.702 1.00 54.23 H new ATOM 227 N SER A 15 -11.915 -4.409 1.443 1.00 14.31 N ATOM 228 CA SER A 15 -10.890 -4.019 2.388 1.00 43.32 C ATOM 229 C SER A 15 -10.922 -2.499 2.556 1.00 5.22 C ATOM 230 O SER A 15 -11.501 -1.778 1.745 1.00 54.35 O ATOM 231 CB SER A 15 -9.521 -4.436 1.848 1.00 72.21 C ATOM 232 OG SER A 15 -9.366 -5.841 1.714 1.00 51.04 O ATOM 0 H SER A 15 -11.565 -4.545 0.495 1.00 14.31 H new ATOM 0 HA SER A 15 -11.068 -4.503 3.348 1.00 43.32 H new ATOM 0 HB2 SER A 15 -9.365 -3.968 0.876 1.00 72.21 H new ATOM 0 HB3 SER A 15 -8.746 -4.055 2.513 1.00 72.21 H new ATOM 0 HG SER A 15 -8.432 -6.085 1.885 1.00 51.04 H new ATOM 238 N THR A 16 -10.204 -1.998 3.555 1.00 32.24 N ATOM 239 CA THR A 16 -10.000 -0.585 3.777 1.00 22.30 C ATOM 240 C THR A 16 -8.494 -0.381 3.845 1.00 64.32 C ATOM 241 O THR A 16 -7.890 0.044 2.861 1.00 61.14 O ATOM 242 CB THR A 16 -10.863 -0.116 4.962 1.00 13.40 C ATOM 243 OG1 THR A 16 -10.646 1.253 5.204 1.00 4.14 O ATOM 244 CG2 THR A 16 -10.710 -0.880 6.290 1.00 43.04 C ATOM 0 H THR A 16 -9.739 -2.585 4.247 1.00 32.24 H new ATOM 0 HA THR A 16 -10.349 0.068 2.977 1.00 22.30 H new ATOM 0 HB THR A 16 -11.879 -0.331 4.632 1.00 13.40 H new ATOM 0 HG1 THR A 16 -11.200 1.544 5.958 1.00 4.14 H new ATOM 0 HG21 THR A 16 -11.374 -0.446 7.038 1.00 43.04 H new ATOM 0 HG22 THR A 16 -10.969 -1.928 6.139 1.00 43.04 H new ATOM 0 HG23 THR A 16 -9.679 -0.807 6.635 1.00 43.04 H new ATOM 252 N MET A 17 -7.856 -0.781 4.940 1.00 73.14 N ATOM 253 CA MET A 17 -6.415 -0.670 5.133 1.00 52.35 C ATOM 254 C MET A 17 -5.957 -1.734 6.104 1.00 53.42 C ATOM 255 O MET A 17 -5.032 -2.478 5.809 1.00 74.32 O ATOM 256 CB MET A 17 -6.070 0.743 5.616 1.00 13.32 C ATOM 257 CG MET A 17 -6.660 1.153 6.967 1.00 31.44 C ATOM 258 SD MET A 17 -6.858 2.938 7.131 1.00 52.04 S ATOM 259 CE MET A 17 -7.792 2.979 8.678 1.00 21.54 C ATOM 0 H MET A 17 -8.337 -1.201 5.735 1.00 73.14 H new ATOM 0 HA MET A 17 -5.890 -0.832 4.192 1.00 52.35 H new ATOM 0 HB2 MET A 17 -4.985 0.831 5.674 1.00 13.32 H new ATOM 0 HB3 MET A 17 -6.408 1.455 4.863 1.00 13.32 H new ATOM 0 HG2 MET A 17 -7.629 0.671 7.096 1.00 31.44 H new ATOM 0 HG3 MET A 17 -6.014 0.789 7.766 1.00 31.44 H new ATOM 0 HE1 MET A 17 -7.979 4.014 8.963 1.00 21.54 H new ATOM 0 HE2 MET A 17 -8.742 2.462 8.543 1.00 21.54 H new ATOM 0 HE3 MET A 17 -7.219 2.485 9.462 1.00 21.54 H new ATOM 269 N ASP A 18 -6.659 -1.856 7.227 1.00 12.21 N ATOM 270 CA ASP A 18 -6.333 -2.794 8.286 1.00 14.21 C ATOM 271 C ASP A 18 -6.376 -4.244 7.809 1.00 12.44 C ATOM 272 O ASP A 18 -5.590 -5.067 8.269 1.00 54.31 O ATOM 273 CB ASP A 18 -7.284 -2.548 9.446 1.00 14.14 C ATOM 274 CG ASP A 18 -6.861 -3.402 10.625 1.00 34.14 C ATOM 275 OD1 ASP A 18 -5.780 -3.146 11.200 1.00 23.42 O ATOM 276 OD2 ASP A 18 -7.610 -4.337 10.985 1.00 5.32 O ATOM 0 H ASP A 18 -7.486 -1.293 7.426 1.00 12.21 H new ATOM 0 HA ASP A 18 -5.306 -2.628 8.612 1.00 14.21 H new ATOM 0 HB2 ASP A 18 -7.274 -1.494 9.723 1.00 14.14 H new ATOM 0 HB3 ASP A 18 -8.305 -2.791 9.153 1.00 14.14 H new ATOM 281 N SER A 19 -7.210 -4.514 6.802 1.00 10.42 N ATOM 282 CA SER A 19 -7.309 -5.805 6.135 1.00 62.34 C ATOM 283 C SER A 19 -5.971 -6.211 5.504 1.00 21.31 C ATOM 284 O SER A 19 -5.624 -7.387 5.452 1.00 43.24 O ATOM 285 CB SER A 19 -8.367 -5.705 5.026 1.00 63.34 C ATOM 286 OG SER A 19 -9.458 -4.864 5.381 1.00 30.33 O ATOM 0 H SER A 19 -7.851 -3.818 6.421 1.00 10.42 H new ATOM 0 HA SER A 19 -7.584 -6.557 6.874 1.00 62.34 H new ATOM 0 HB2 SER A 19 -7.900 -5.323 4.118 1.00 63.34 H new ATOM 0 HB3 SER A 19 -8.742 -6.702 4.797 1.00 63.34 H new ATOM 0 HG SER A 19 -10.302 -5.332 5.208 1.00 30.33 H new ATOM 292 N ILE A 20 -5.227 -5.233 4.991 1.00 22.50 N ATOM 293 CA ILE A 20 -3.971 -5.423 4.285 1.00 3.22 C ATOM 294 C ILE A 20 -2.825 -5.294 5.282 1.00 44.11 C ATOM 295 O ILE A 20 -1.848 -6.024 5.165 1.00 25.10 O ATOM 296 CB ILE A 20 -3.887 -4.404 3.124 1.00 73.31 C ATOM 297 CG1 ILE A 20 -5.118 -4.537 2.197 1.00 71.43 C ATOM 298 CG2 ILE A 20 -2.618 -4.529 2.274 1.00 5.11 C ATOM 299 CD1 ILE A 20 -6.090 -3.376 2.380 1.00 34.41 C ATOM 0 H ILE A 20 -5.496 -4.252 5.061 1.00 22.50 H new ATOM 0 HA ILE A 20 -3.905 -6.417 3.842 1.00 3.22 H new ATOM 0 HB ILE A 20 -3.861 -3.425 3.602 1.00 73.31 H new ATOM 0 HG12 ILE A 20 -4.789 -4.576 1.159 1.00 71.43 H new ATOM 0 HG13 ILE A 20 -5.630 -5.477 2.405 1.00 71.43 H new ATOM 0 HG21 ILE A 20 -2.635 -3.780 1.482 1.00 5.11 H new ATOM 0 HG22 ILE A 20 -1.742 -4.372 2.903 1.00 5.11 H new ATOM 0 HG23 ILE A 20 -2.573 -5.524 1.831 1.00 5.11 H new ATOM 0 HD11 ILE A 20 -6.941 -3.505 1.712 1.00 34.41 H new ATOM 0 HD12 ILE A 20 -6.439 -3.353 3.412 1.00 34.41 H new ATOM 0 HD13 ILE A 20 -5.585 -2.439 2.147 1.00 34.41 H new ATOM 311 N LEU A 21 -2.943 -4.412 6.278 1.00 45.02 N ATOM 312 CA LEU A 21 -1.909 -4.229 7.286 1.00 30.21 C ATOM 313 C LEU A 21 -1.645 -5.529 8.043 1.00 23.13 C ATOM 314 O LEU A 21 -0.493 -5.796 8.363 1.00 44.41 O ATOM 315 CB LEU A 21 -2.317 -3.134 8.296 1.00 71.15 C ATOM 316 CG LEU A 21 -2.260 -1.681 7.787 1.00 2.01 C ATOM 317 CD1 LEU A 21 -3.002 -0.720 8.730 1.00 64.22 C ATOM 318 CD2 LEU A 21 -0.819 -1.190 7.700 1.00 63.14 C ATOM 0 H LEU A 21 -3.756 -3.810 6.404 1.00 45.02 H new ATOM 0 HA LEU A 21 -1.000 -3.925 6.768 1.00 30.21 H new ATOM 0 HB2 LEU A 21 -3.334 -3.339 8.631 1.00 71.15 H new ATOM 0 HB3 LEU A 21 -1.670 -3.216 9.170 1.00 71.15 H new ATOM 0 HG LEU A 21 -2.731 -1.685 6.804 1.00 2.01 H new ATOM 0 HD11 LEU A 21 -2.940 0.295 8.338 1.00 64.22 H new ATOM 0 HD12 LEU A 21 -4.048 -1.017 8.803 1.00 64.22 H new ATOM 0 HD13 LEU A 21 -2.545 -0.755 9.719 1.00 64.22 H new ATOM 0 HD21 LEU A 21 -0.806 -0.162 7.338 1.00 63.14 H new ATOM 0 HD22 LEU A 21 -0.360 -1.233 8.688 1.00 63.14 H new ATOM 0 HD23 LEU A 21 -0.260 -1.824 7.012 1.00 63.14 H new ATOM 330 N GLY A 22 -2.677 -6.331 8.314 1.00 4.43 N ATOM 331 CA GLY A 22 -2.548 -7.572 9.064 1.00 42.04 C ATOM 332 C GLY A 22 -2.351 -8.809 8.187 1.00 14.34 C ATOM 333 O GLY A 22 -2.580 -9.909 8.695 1.00 72.42 O ATOM 0 H GLY A 22 -3.631 -6.131 8.015 1.00 4.43 H new ATOM 0 HA2 GLY A 22 -1.704 -7.486 9.748 1.00 42.04 H new ATOM 0 HA3 GLY A 22 -3.440 -7.710 9.675 1.00 42.04 H new ATOM 337 N ALA A 23 -2.012 -8.656 6.896 1.00 25.34 N ATOM 338 CA ALA A 23 -1.832 -9.781 5.972 1.00 42.03 C ATOM 339 C ALA A 23 -0.691 -9.577 4.963 1.00 52.44 C ATOM 340 O ALA A 23 -0.027 -10.542 4.584 1.00 74.12 O ATOM 341 CB ALA A 23 -3.144 -10.023 5.217 1.00 10.01 C ATOM 0 H ALA A 23 -1.855 -7.745 6.466 1.00 25.34 H new ATOM 0 HA ALA A 23 -1.557 -10.645 6.577 1.00 42.03 H new ATOM 0 HB1 ALA A 23 -3.018 -10.858 4.528 1.00 10.01 H new ATOM 0 HB2 ALA A 23 -3.936 -10.256 5.929 1.00 10.01 H new ATOM 0 HB3 ALA A 23 -3.412 -9.127 4.657 1.00 10.01 H new ATOM 347 N LEU A 24 -0.449 -8.345 4.506 1.00 14.41 N ATOM 348 CA LEU A 24 0.557 -8.000 3.498 1.00 10.32 C ATOM 349 C LEU A 24 1.882 -7.581 4.154 1.00 63.15 C ATOM 350 O LEU A 24 2.737 -6.981 3.496 1.00 72.24 O ATOM 351 CB LEU A 24 0.000 -6.860 2.621 1.00 5.43 C ATOM 352 CG LEU A 24 0.638 -6.788 1.214 1.00 50.55 C ATOM 353 CD1 LEU A 24 -0.088 -7.740 0.257 1.00 23.44 C ATOM 354 CD2 LEU A 24 0.561 -5.373 0.630 1.00 2.12 C ATOM 0 H LEU A 24 -0.967 -7.532 4.840 1.00 14.41 H new ATOM 0 HA LEU A 24 0.766 -8.875 2.882 1.00 10.32 H new ATOM 0 HB2 LEU A 24 -1.077 -6.988 2.515 1.00 5.43 H new ATOM 0 HB3 LEU A 24 0.159 -5.910 3.131 1.00 5.43 H new ATOM 0 HG LEU A 24 1.684 -7.074 1.321 1.00 50.55 H new ATOM 0 HD11 LEU A 24 0.369 -7.681 -0.731 1.00 23.44 H new ATOM 0 HD12 LEU A 24 -0.012 -8.761 0.632 1.00 23.44 H new ATOM 0 HD13 LEU A 24 -1.138 -7.456 0.188 1.00 23.44 H new ATOM 0 HD21 LEU A 24 1.019 -5.362 -0.359 1.00 2.12 H new ATOM 0 HD22 LEU A 24 -0.483 -5.069 0.550 1.00 2.12 H new ATOM 0 HD23 LEU A 24 1.092 -4.680 1.283 1.00 2.12 H new ATOM 366 N ALA A 25 2.075 -7.855 5.449 1.00 24.50 N ATOM 367 CA ALA A 25 3.206 -7.332 6.204 1.00 71.41 C ATOM 368 C ALA A 25 4.190 -8.404 6.720 1.00 71.32 C ATOM 369 O ALA A 25 4.586 -8.356 7.887 1.00 53.21 O ATOM 370 CB ALA A 25 2.613 -6.514 7.333 1.00 73.52 C ATOM 0 H ALA A 25 1.449 -8.445 5.997 1.00 24.50 H new ATOM 0 HA ALA A 25 3.829 -6.728 5.544 1.00 71.41 H new ATOM 0 HB1 ALA A 25 3.416 -6.093 7.938 1.00 73.52 H new ATOM 0 HB2 ALA A 25 2.009 -5.706 6.919 1.00 73.52 H new ATOM 0 HB3 ALA A 25 1.987 -7.153 7.955 1.00 73.52 H new ATOM 376 N PRO A 26 4.731 -9.300 5.873 1.00 41.21 N ATOM 377 CA PRO A 26 5.826 -10.170 6.271 1.00 61.34 C ATOM 378 C PRO A 26 7.153 -9.415 6.458 1.00 52.33 C ATOM 379 O PRO A 26 7.967 -9.870 7.261 1.00 22.22 O ATOM 380 CB PRO A 26 5.910 -11.258 5.200 1.00 33.33 C ATOM 381 CG PRO A 26 5.236 -10.664 3.964 1.00 12.23 C ATOM 382 CD PRO A 26 4.306 -9.592 4.519 1.00 65.03 C ATOM 0 HA PRO A 26 5.637 -10.605 7.252 1.00 61.34 H new ATOM 0 HB2 PRO A 26 6.946 -11.525 4.992 1.00 33.33 H new ATOM 0 HB3 PRO A 26 5.405 -12.168 5.524 1.00 33.33 H new ATOM 0 HG2 PRO A 26 5.968 -10.239 3.278 1.00 12.23 H new ATOM 0 HG3 PRO A 26 4.683 -11.422 3.410 1.00 12.23 H new ATOM 0 HD2 PRO A 26 4.347 -8.694 3.903 1.00 65.03 H new ATOM 0 HD3 PRO A 26 3.273 -9.939 4.509 1.00 65.03 H new ATOM 390 N TYR A 27 7.367 -8.253 5.818 1.00 3.41 N ATOM 391 CA TYR A 27 8.657 -7.541 5.860 1.00 24.30 C ATOM 392 C TYR A 27 8.547 -6.096 6.337 1.00 65.04 C ATOM 393 O TYR A 27 9.532 -5.540 6.828 1.00 14.12 O ATOM 394 CB TYR A 27 9.359 -7.611 4.500 1.00 65.21 C ATOM 395 CG TYR A 27 9.653 -9.034 4.086 1.00 23.24 C ATOM 396 CD1 TYR A 27 10.820 -9.678 4.531 1.00 61.21 C ATOM 397 CD2 TYR A 27 8.705 -9.743 3.334 1.00 22.33 C ATOM 398 CE1 TYR A 27 11.041 -11.026 4.209 1.00 52.55 C ATOM 399 CE2 TYR A 27 8.900 -11.096 3.026 1.00 3.20 C ATOM 400 CZ TYR A 27 10.086 -11.736 3.449 1.00 61.21 C ATOM 401 OH TYR A 27 10.328 -13.027 3.096 1.00 70.44 O ATOM 0 H TYR A 27 6.655 -7.782 5.260 1.00 3.41 H new ATOM 0 HA TYR A 27 9.261 -8.058 6.606 1.00 24.30 H new ATOM 0 HB2 TYR A 27 8.733 -7.136 3.744 1.00 65.21 H new ATOM 0 HB3 TYR A 27 10.290 -7.047 4.544 1.00 65.21 H new ATOM 0 HD1 TYR A 27 11.546 -9.137 5.120 1.00 61.21 H new ATOM 0 HD2 TYR A 27 7.814 -9.240 2.988 1.00 22.33 H new ATOM 0 HE1 TYR A 27 11.941 -11.520 4.543 1.00 52.55 H new ATOM 0 HE2 TYR A 27 8.152 -11.643 2.472 1.00 3.20 H new ATOM 0 HH TYR A 27 9.572 -13.371 2.576 1.00 70.44 H new ATOM 411 N ALA A 28 7.381 -5.471 6.189 1.00 10.41 N ATOM 412 CA ALA A 28 7.102 -4.179 6.788 1.00 62.41 C ATOM 413 C ALA A 28 5.672 -4.186 7.285 1.00 65.24 C ATOM 414 O ALA A 28 4.732 -4.159 6.488 1.00 22.34 O ATOM 415 CB ALA A 28 7.336 -3.045 5.795 1.00 62.13 C ATOM 0 H ALA A 28 6.605 -5.852 5.648 1.00 10.41 H new ATOM 0 HA ALA A 28 7.782 -4.007 7.623 1.00 62.41 H new ATOM 0 HB1 ALA A 28 7.118 -2.091 6.275 1.00 62.13 H new ATOM 0 HB2 ALA A 28 8.375 -3.057 5.467 1.00 62.13 H new ATOM 0 HB3 ALA A 28 6.682 -3.175 4.933 1.00 62.13 H new ATOM 421 N VAL A 29 5.520 -4.227 8.597 1.00 30.51 N ATOM 422 CA VAL A 29 4.309 -3.846 9.287 1.00 24.24 C ATOM 423 C VAL A 29 4.324 -2.320 9.368 1.00 1.15 C ATOM 424 O VAL A 29 5.270 -1.731 9.907 1.00 52.20 O ATOM 425 CB VAL A 29 4.242 -4.520 10.676 1.00 64.31 C ATOM 426 CG1 VAL A 29 2.911 -4.207 11.369 1.00 31.14 C ATOM 427 CG2 VAL A 29 4.374 -6.052 10.625 1.00 51.31 C ATOM 0 H VAL A 29 6.260 -4.536 9.227 1.00 30.51 H new ATOM 0 HA VAL A 29 3.415 -4.178 8.760 1.00 24.24 H new ATOM 0 HB VAL A 29 5.090 -4.112 11.226 1.00 64.31 H new ATOM 0 HG11 VAL A 29 2.886 -4.692 12.345 1.00 31.14 H new ATOM 0 HG12 VAL A 29 2.812 -3.129 11.497 1.00 31.14 H new ATOM 0 HG13 VAL A 29 2.087 -4.577 10.759 1.00 31.14 H new ATOM 0 HG21 VAL A 29 4.318 -6.456 11.636 1.00 51.31 H new ATOM 0 HG22 VAL A 29 3.566 -6.467 10.023 1.00 51.31 H new ATOM 0 HG23 VAL A 29 5.332 -6.320 10.180 1.00 51.31 H new ATOM 437 N LEU A 30 3.307 -1.674 8.803 1.00 65.42 N ATOM 438 CA LEU A 30 3.052 -0.251 8.969 1.00 22.44 C ATOM 439 C LEU A 30 2.003 -0.003 10.063 1.00 14.43 C ATOM 440 O LEU A 30 1.427 -0.932 10.642 1.00 10.21 O ATOM 441 CB LEU A 30 2.550 0.369 7.655 1.00 50.32 C ATOM 442 CG LEU A 30 3.367 0.176 6.375 1.00 25.32 C ATOM 443 CD1 LEU A 30 4.864 0.446 6.550 1.00 3.02 C ATOM 444 CD2 LEU A 30 3.117 -1.156 5.675 1.00 25.51 C ATOM 0 H LEU A 30 2.624 -2.138 8.204 1.00 65.42 H new ATOM 0 HA LEU A 30 3.994 0.215 9.259 1.00 22.44 H new ATOM 0 HB2 LEU A 30 1.551 -0.024 7.468 1.00 50.32 H new ATOM 0 HB3 LEU A 30 2.445 1.442 7.818 1.00 50.32 H new ATOM 0 HG LEU A 30 2.987 0.950 5.708 1.00 25.32 H new ATOM 0 HD11 LEU A 30 5.376 0.288 5.600 1.00 3.02 H new ATOM 0 HD12 LEU A 30 5.012 1.476 6.876 1.00 3.02 H new ATOM 0 HD13 LEU A 30 5.271 -0.234 7.299 1.00 3.02 H new ATOM 0 HD21 LEU A 30 3.732 -1.216 4.777 1.00 25.51 H new ATOM 0 HD22 LEU A 30 3.375 -1.974 6.347 1.00 25.51 H new ATOM 0 HD23 LEU A 30 2.065 -1.230 5.399 1.00 25.51 H new ATOM 456 N SER A 31 1.680 1.273 10.273 1.00 30.24 N ATOM 457 CA SER A 31 0.501 1.738 10.994 1.00 14.44 C ATOM 458 C SER A 31 -0.480 2.395 10.010 1.00 70.53 C ATOM 459 O SER A 31 -0.089 2.824 8.917 1.00 32.53 O ATOM 460 CB SER A 31 0.955 2.724 12.075 1.00 64.11 C ATOM 461 OG SER A 31 1.888 2.112 12.947 1.00 52.34 O ATOM 0 H SER A 31 2.258 2.040 9.930 1.00 30.24 H new ATOM 0 HA SER A 31 -0.016 0.905 11.469 1.00 14.44 H new ATOM 0 HB2 SER A 31 1.405 3.601 11.609 1.00 64.11 H new ATOM 0 HB3 SER A 31 0.092 3.072 12.643 1.00 64.11 H new ATOM 0 HG SER A 31 2.169 2.756 13.630 1.00 52.34 H new ATOM 467 N SER A 32 -1.755 2.519 10.385 1.00 30.23 N ATOM 468 CA SER A 32 -2.796 3.123 9.558 1.00 30.24 C ATOM 469 C SER A 32 -2.505 4.600 9.274 1.00 1.44 C ATOM 470 O SER A 32 -2.968 5.143 8.267 1.00 50.31 O ATOM 471 CB SER A 32 -4.167 2.927 10.220 1.00 73.43 C ATOM 472 OG SER A 32 -4.331 3.799 11.321 1.00 12.41 O ATOM 0 H SER A 32 -2.097 2.195 11.290 1.00 30.23 H new ATOM 0 HA SER A 32 -2.808 2.620 8.591 1.00 30.24 H new ATOM 0 HB2 SER A 32 -4.956 3.107 9.490 1.00 73.43 H new ATOM 0 HB3 SER A 32 -4.269 1.894 10.552 1.00 73.43 H new ATOM 0 HG SER A 32 -5.213 3.655 11.724 1.00 12.41 H new ATOM 478 N SER A 33 -1.732 5.266 10.136 1.00 71.53 N ATOM 479 CA SER A 33 -1.216 6.600 9.894 1.00 52.13 C ATOM 480 C SER A 33 -0.424 6.651 8.590 1.00 11.43 C ATOM 481 O SER A 33 -0.579 7.562 7.772 1.00 12.03 O ATOM 482 CB SER A 33 -0.326 6.998 11.075 1.00 63.10 C ATOM 483 OG SER A 33 0.569 5.954 11.441 1.00 5.44 O ATOM 0 H SER A 33 -1.447 4.879 11.036 1.00 71.53 H new ATOM 0 HA SER A 33 -2.047 7.299 9.800 1.00 52.13 H new ATOM 0 HB2 SER A 33 0.244 7.890 10.816 1.00 63.10 H new ATOM 0 HB3 SER A 33 -0.951 7.256 11.930 1.00 63.10 H new ATOM 0 HG SER A 33 1.313 5.922 10.803 1.00 5.44 H new ATOM 489 N ASN A 34 0.439 5.662 8.413 1.00 65.34 N ATOM 490 CA ASN A 34 1.432 5.603 7.359 1.00 30.32 C ATOM 491 C ASN A 34 0.804 5.054 6.093 1.00 34.52 C ATOM 492 O ASN A 34 1.260 5.386 5.006 1.00 63.10 O ATOM 493 CB ASN A 34 2.595 4.730 7.824 1.00 64.10 C ATOM 494 CG ASN A 34 3.374 5.453 8.913 1.00 65.30 C ATOM 495 OD1 ASN A 34 2.822 5.795 9.961 1.00 25.21 O ATOM 496 ND2 ASN A 34 4.625 5.762 8.653 1.00 65.12 N ATOM 0 H ASN A 34 0.465 4.847 9.026 1.00 65.34 H new ATOM 0 HA ASN A 34 1.809 6.602 7.139 1.00 30.32 H new ATOM 0 HB2 ASN A 34 2.220 3.779 8.202 1.00 64.10 H new ATOM 0 HB3 ASN A 34 3.251 4.503 6.984 1.00 64.10 H new ATOM 0 HD21 ASN A 34 5.168 6.300 9.328 1.00 65.12 H new ATOM 0 HD22 ASN A 34 5.052 5.464 7.776 1.00 65.12 H new ATOM 503 N VAL A 35 -0.255 4.252 6.224 1.00 63.21 N ATOM 504 CA VAL A 35 -1.061 3.763 5.119 1.00 4.21 C ATOM 505 C VAL A 35 -2.219 4.720 4.871 1.00 13.02 C ATOM 506 O VAL A 35 -3.328 4.565 5.389 1.00 2.21 O ATOM 507 CB VAL A 35 -1.451 2.291 5.322 1.00 44.00 C ATOM 508 CG1 VAL A 35 -2.222 1.772 4.104 1.00 41.41 C ATOM 509 CG2 VAL A 35 -0.161 1.464 5.435 1.00 12.01 C ATOM 0 H VAL A 35 -0.579 3.919 7.132 1.00 63.21 H new ATOM 0 HA VAL A 35 -0.480 3.754 4.197 1.00 4.21 H new ATOM 0 HB VAL A 35 -2.069 2.206 6.216 1.00 44.00 H new ATOM 0 HG11 VAL A 35 -2.492 0.728 4.262 1.00 41.41 H new ATOM 0 HG12 VAL A 35 -3.127 2.364 3.967 1.00 41.41 H new ATOM 0 HG13 VAL A 35 -1.596 1.855 3.215 1.00 41.41 H new ATOM 0 HG21 VAL A 35 -0.414 0.414 5.580 1.00 12.01 H new ATOM 0 HG22 VAL A 35 0.423 1.574 4.521 1.00 12.01 H new ATOM 0 HG23 VAL A 35 0.424 1.817 6.284 1.00 12.01 H new ATOM 519 N ARG A 36 -1.951 5.724 4.039 1.00 22.42 N ATOM 520 CA ARG A 36 -2.972 6.608 3.514 1.00 43.24 C ATOM 521 C ARG A 36 -3.927 5.781 2.652 1.00 12.32 C ATOM 522 O ARG A 36 -3.530 5.304 1.587 1.00 34.42 O ATOM 523 CB ARG A 36 -2.327 7.778 2.748 1.00 41.01 C ATOM 524 CG ARG A 36 -3.154 9.069 2.802 1.00 50.42 C ATOM 525 CD ARG A 36 -4.617 8.837 2.401 1.00 5.15 C ATOM 526 NE ARG A 36 -5.229 10.070 1.909 1.00 30.43 N ATOM 527 CZ ARG A 36 -6.391 10.615 2.264 1.00 32.41 C ATOM 528 NH1 ARG A 36 -7.298 9.965 2.991 1.00 11.04 N ATOM 529 NH2 ARG A 36 -6.644 11.846 1.854 1.00 42.40 N ATOM 0 H ARG A 36 -1.010 5.943 3.712 1.00 22.42 H new ATOM 0 HA ARG A 36 -3.549 7.060 4.321 1.00 43.24 H new ATOM 0 HB2 ARG A 36 -1.337 7.972 3.161 1.00 41.01 H new ATOM 0 HB3 ARG A 36 -2.187 7.488 1.707 1.00 41.01 H new ATOM 0 HG2 ARG A 36 -3.116 9.481 3.811 1.00 50.42 H new ATOM 0 HG3 ARG A 36 -2.710 9.811 2.138 1.00 50.42 H new ATOM 0 HD2 ARG A 36 -4.669 8.069 1.630 1.00 5.15 H new ATOM 0 HD3 ARG A 36 -5.178 8.466 3.259 1.00 5.15 H new ATOM 0 HE ARG A 36 -4.697 10.579 1.203 1.00 30.43 H new ATOM 0 HH11 ARG A 36 -7.115 9.010 3.299 1.00 11.04 H new ATOM 0 HH12 ARG A 36 -8.175 10.422 3.240 1.00 11.04 H new ATOM 0 HH21 ARG A 36 -5.960 12.345 1.286 1.00 42.40 H new ATOM 0 HH22 ARG A 36 -7.524 12.297 2.106 1.00 42.40 H new ATOM 543 N VAL A 37 -5.188 5.674 3.065 1.00 2.43 N ATOM 544 CA VAL A 37 -6.311 5.252 2.236 1.00 43.24 C ATOM 545 C VAL A 37 -7.303 6.402 2.137 1.00 64.11 C ATOM 546 O VAL A 37 -7.664 7.036 3.129 1.00 44.41 O ATOM 547 CB VAL A 37 -6.925 3.928 2.745 1.00 10.42 C ATOM 548 CG1 VAL A 37 -8.062 3.398 1.856 1.00 50.12 C ATOM 549 CG2 VAL A 37 -5.831 2.857 2.705 1.00 22.24 C ATOM 0 H VAL A 37 -5.464 5.887 4.023 1.00 2.43 H new ATOM 0 HA VAL A 37 -5.973 5.023 1.225 1.00 43.24 H new ATOM 0 HB VAL A 37 -7.322 4.128 3.740 1.00 10.42 H new ATOM 0 HG11 VAL A 37 -8.446 2.467 2.273 1.00 50.12 H new ATOM 0 HG12 VAL A 37 -8.864 4.135 1.814 1.00 50.12 H new ATOM 0 HG13 VAL A 37 -7.683 3.216 0.850 1.00 50.12 H new ATOM 0 HG21 VAL A 37 -6.236 1.909 3.060 1.00 22.24 H new ATOM 0 HG22 VAL A 37 -5.475 2.739 1.682 1.00 22.24 H new ATOM 0 HG23 VAL A 37 -5.002 3.159 3.345 1.00 22.24 H new ATOM 559 N ILE A 38 -7.727 6.694 0.914 1.00 2.34 N ATOM 560 CA ILE A 38 -8.901 7.496 0.627 1.00 34.24 C ATOM 561 C ILE A 38 -10.070 6.510 0.597 1.00 42.44 C ATOM 562 O ILE A 38 -10.001 5.490 -0.100 1.00 43.32 O ATOM 563 CB ILE A 38 -8.747 8.190 -0.739 1.00 10.21 C ATOM 564 CG1 ILE A 38 -7.430 8.984 -0.870 1.00 30.45 C ATOM 565 CG2 ILE A 38 -9.961 9.101 -1.011 1.00 44.34 C ATOM 566 CD1 ILE A 38 -7.253 9.571 -2.271 1.00 14.13 C ATOM 0 H ILE A 38 -7.248 6.369 0.074 1.00 2.34 H new ATOM 0 HA ILE A 38 -9.053 8.279 1.370 1.00 34.24 H new ATOM 0 HB ILE A 38 -8.706 7.403 -1.492 1.00 10.21 H new ATOM 0 HG12 ILE A 38 -7.417 9.789 -0.135 1.00 30.45 H new ATOM 0 HG13 ILE A 38 -6.588 8.330 -0.642 1.00 30.45 H new ATOM 0 HG21 ILE A 38 -9.842 9.587 -1.979 1.00 44.34 H new ATOM 0 HG22 ILE A 38 -10.872 8.502 -1.015 1.00 44.34 H new ATOM 0 HG23 ILE A 38 -10.029 9.859 -0.231 1.00 44.34 H new ATOM 0 HD11 ILE A 38 -6.313 10.122 -2.319 1.00 14.13 H new ATOM 0 HD12 ILE A 38 -7.239 8.765 -3.004 1.00 14.13 H new ATOM 0 HD13 ILE A 38 -8.081 10.246 -2.490 1.00 14.13 H new ATOM 578 N LYS A 39 -11.148 6.820 1.319 1.00 25.52 N ATOM 579 CA LYS A 39 -12.408 6.100 1.193 1.00 51.13 C ATOM 580 C LYS A 39 -13.435 7.032 0.561 1.00 21.34 C ATOM 581 O LYS A 39 -13.373 8.242 0.794 1.00 1.12 O ATOM 582 CB LYS A 39 -12.903 5.566 2.545 1.00 72.24 C ATOM 583 CG LYS A 39 -11.943 4.651 3.332 1.00 31.15 C ATOM 584 CD LYS A 39 -10.826 5.401 4.088 1.00 45.11 C ATOM 585 CE LYS A 39 -10.332 4.639 5.326 1.00 32.14 C ATOM 586 NZ LYS A 39 -11.245 4.808 6.480 1.00 72.34 N ATOM 0 H LYS A 39 -11.169 7.575 2.004 1.00 25.52 H new ATOM 0 HA LYS A 39 -12.257 5.227 0.557 1.00 51.13 H new ATOM 0 HB2 LYS A 39 -13.150 6.420 3.176 1.00 72.24 H new ATOM 0 HB3 LYS A 39 -13.829 5.017 2.374 1.00 72.24 H new ATOM 0 HG2 LYS A 39 -12.522 4.068 4.048 1.00 31.15 H new ATOM 0 HG3 LYS A 39 -11.486 3.944 2.640 1.00 31.15 H new ATOM 0 HD2 LYS A 39 -9.987 5.571 3.413 1.00 45.11 H new ATOM 0 HD3 LYS A 39 -11.194 6.381 4.393 1.00 45.11 H new ATOM 0 HE2 LYS A 39 -10.241 3.579 5.087 1.00 32.14 H new ATOM 0 HE3 LYS A 39 -9.337 4.992 5.596 1.00 32.14 H new ATOM 0 HZ1 LYS A 39 -10.876 4.278 7.295 1.00 72.34 H new ATOM 0 HZ2 LYS A 39 -11.313 5.817 6.724 1.00 72.34 H new ATOM 0 HZ3 LYS A 39 -12.189 4.448 6.232 1.00 72.34 H new ATOM 600 N ASP A 40 -14.363 6.498 -0.224 1.00 43.03 N ATOM 601 CA ASP A 40 -15.516 7.220 -0.747 1.00 22.25 C ATOM 602 C ASP A 40 -16.464 7.634 0.401 1.00 4.34 C ATOM 603 O ASP A 40 -16.386 7.058 1.491 1.00 45.33 O ATOM 604 CB ASP A 40 -16.194 6.260 -1.713 1.00 73.13 C ATOM 605 CG ASP A 40 -17.299 6.944 -2.485 1.00 43.24 C ATOM 606 OD1 ASP A 40 -18.421 6.960 -1.955 1.00 42.15 O ATOM 607 OD2 ASP A 40 -17.053 7.456 -3.597 1.00 51.10 O ATOM 0 H ASP A 40 -14.333 5.523 -0.523 1.00 43.03 H new ATOM 0 HA ASP A 40 -15.228 8.144 -1.249 1.00 22.25 H new ATOM 0 HB2 ASP A 40 -15.456 5.860 -2.408 1.00 73.13 H new ATOM 0 HB3 ASP A 40 -16.604 5.414 -1.161 1.00 73.13 H new ATOM 612 N LYS A 41 -17.366 8.611 0.211 1.00 71.13 N ATOM 613 CA LYS A 41 -18.299 9.102 1.248 1.00 54.20 C ATOM 614 C LYS A 41 -19.773 8.822 0.912 1.00 34.31 C ATOM 615 O LYS A 41 -20.663 9.425 1.510 1.00 71.54 O ATOM 616 CB LYS A 41 -18.084 10.612 1.500 1.00 30.42 C ATOM 617 CG LYS A 41 -18.214 10.960 2.998 1.00 63.31 C ATOM 618 CD LYS A 41 -18.539 12.433 3.292 1.00 25.13 C ATOM 619 CE LYS A 41 -17.410 13.400 2.924 1.00 72.42 C ATOM 620 NZ LYS A 41 -17.782 14.810 3.176 1.00 42.02 N ATOM 0 H LYS A 41 -17.472 9.093 -0.682 1.00 71.13 H new ATOM 0 HA LYS A 41 -18.072 8.546 2.158 1.00 54.20 H new ATOM 0 HB2 LYS A 41 -17.097 10.905 1.142 1.00 30.42 H new ATOM 0 HB3 LYS A 41 -18.814 11.185 0.928 1.00 30.42 H new ATOM 0 HG2 LYS A 41 -18.994 10.336 3.435 1.00 63.31 H new ATOM 0 HG3 LYS A 41 -17.281 10.701 3.499 1.00 63.31 H new ATOM 0 HD2 LYS A 41 -19.438 12.713 2.744 1.00 25.13 H new ATOM 0 HD3 LYS A 41 -18.766 12.541 4.353 1.00 25.13 H new ATOM 0 HE2 LYS A 41 -16.518 13.152 3.500 1.00 72.42 H new ATOM 0 HE3 LYS A 41 -17.155 13.275 1.872 1.00 72.42 H new ATOM 0 HZ1 LYS A 41 -16.990 15.430 2.913 1.00 42.02 H new ATOM 0 HZ2 LYS A 41 -18.617 15.056 2.607 1.00 42.02 H new ATOM 0 HZ3 LYS A 41 -18.001 14.936 4.185 1.00 42.02 H new ATOM 634 N GLN A 42 -20.036 7.949 -0.055 1.00 5.22 N ATOM 635 CA GLN A 42 -21.345 7.660 -0.625 1.00 12.00 C ATOM 636 C GLN A 42 -21.585 6.157 -0.655 1.00 32.20 C ATOM 637 O GLN A 42 -22.676 5.727 -0.279 1.00 23.11 O ATOM 638 CB GLN A 42 -21.488 8.231 -2.023 1.00 54.12 C ATOM 639 CG GLN A 42 -21.099 9.702 -2.131 1.00 52.10 C ATOM 640 CD GLN A 42 -21.361 10.197 -3.540 1.00 42.14 C ATOM 641 OE1 GLN A 42 -20.522 10.061 -4.423 1.00 63.00 O ATOM 642 NE2 GLN A 42 -22.473 10.865 -3.751 1.00 52.33 N ATOM 0 H GLN A 42 -19.298 7.393 -0.486 1.00 5.22 H new ATOM 0 HA GLN A 42 -22.092 8.136 0.010 1.00 12.00 H new ATOM 0 HB2 GLN A 42 -20.870 7.650 -2.707 1.00 54.12 H new ATOM 0 HB3 GLN A 42 -22.521 8.113 -2.349 1.00 54.12 H new ATOM 0 HG2 GLN A 42 -21.671 10.293 -1.415 1.00 52.10 H new ATOM 0 HG3 GLN A 42 -20.046 9.829 -1.880 1.00 52.10 H new ATOM 0 HE21 GLN A 42 -23.158 10.966 -3.002 1.00 52.33 H new ATOM 0 HE22 GLN A 42 -22.652 11.283 -4.664 1.00 52.33 H new ATOM 651 N THR A 43 -20.570 5.374 -1.035 1.00 11.23 N ATOM 652 CA THR A 43 -20.591 3.913 -0.993 1.00 5.33 C ATOM 653 C THR A 43 -19.792 3.429 0.226 1.00 42.31 C ATOM 654 O THR A 43 -19.849 2.255 0.588 1.00 51.45 O ATOM 655 CB THR A 43 -20.013 3.356 -2.307 1.00 41.02 C ATOM 656 OG1 THR A 43 -20.138 1.959 -2.421 1.00 12.34 O ATOM 657 CG2 THR A 43 -18.613 3.857 -2.667 1.00 71.34 C ATOM 0 H THR A 43 -19.691 5.751 -1.389 1.00 11.23 H new ATOM 0 HA THR A 43 -21.614 3.550 -0.894 1.00 5.33 H new ATOM 0 HB THR A 43 -20.656 3.789 -3.073 1.00 41.02 H new ATOM 0 HG1 THR A 43 -19.905 1.683 -3.332 1.00 12.34 H new ATOM 0 HG21 THR A 43 -18.296 3.407 -3.608 1.00 71.34 H new ATOM 0 HG22 THR A 43 -18.630 4.942 -2.771 1.00 71.34 H new ATOM 0 HG23 THR A 43 -17.913 3.580 -1.879 1.00 71.34 H new ATOM 665 N GLN A 44 -18.998 4.322 0.835 1.00 73.55 N ATOM 666 CA GLN A 44 -18.018 4.060 1.881 1.00 14.00 C ATOM 667 C GLN A 44 -16.757 3.355 1.393 1.00 1.22 C ATOM 668 O GLN A 44 -15.826 3.296 2.201 1.00 2.21 O ATOM 669 CB GLN A 44 -18.610 3.346 3.117 1.00 3.02 C ATOM 670 CG GLN A 44 -19.841 4.041 3.702 1.00 54.01 C ATOM 671 CD GLN A 44 -19.586 5.520 3.973 1.00 31.54 C ATOM 672 OE1 GLN A 44 -18.601 5.889 4.618 1.00 70.51 O ATOM 673 NE2 GLN A 44 -20.427 6.390 3.448 1.00 52.24 N ATOM 0 H GLN A 44 -19.032 5.311 0.588 1.00 73.55 H new ATOM 0 HA GLN A 44 -17.712 5.056 2.200 1.00 14.00 H new ATOM 0 HB2 GLN A 44 -18.877 2.326 2.842 1.00 3.02 H new ATOM 0 HB3 GLN A 44 -17.842 3.278 3.888 1.00 3.02 H new ATOM 0 HG2 GLN A 44 -20.678 3.938 3.012 1.00 54.01 H new ATOM 0 HG3 GLN A 44 -20.130 3.547 4.630 1.00 54.01 H new ATOM 0 HE21 GLN A 44 -21.235 6.063 2.918 1.00 52.24 H new ATOM 0 HE22 GLN A 44 -20.269 7.390 3.572 1.00 52.24 H new ATOM 682 N LEU A 45 -16.729 2.786 0.175 1.00 4.24 N ATOM 683 CA LEU A 45 -15.616 1.920 -0.273 1.00 14.02 C ATOM 684 C LEU A 45 -14.258 2.636 -0.287 1.00 70.52 C ATOM 685 O LEU A 45 -14.186 3.830 -0.047 1.00 45.35 O ATOM 686 CB LEU A 45 -15.868 1.389 -1.686 1.00 50.45 C ATOM 687 CG LEU A 45 -17.256 0.790 -1.921 1.00 74.52 C ATOM 688 CD1 LEU A 45 -17.368 0.418 -3.397 1.00 25.23 C ATOM 689 CD2 LEU A 45 -17.664 -0.365 -1.000 1.00 51.32 C ATOM 0 H LEU A 45 -17.465 2.909 -0.521 1.00 4.24 H new ATOM 0 HA LEU A 45 -15.579 1.108 0.453 1.00 14.02 H new ATOM 0 HB2 LEU A 45 -15.717 2.203 -2.395 1.00 50.45 H new ATOM 0 HB3 LEU A 45 -15.120 0.629 -1.910 1.00 50.45 H new ATOM 0 HG LEU A 45 -17.978 1.561 -1.651 1.00 74.52 H new ATOM 0 HD11 LEU A 45 -18.351 -0.012 -3.590 1.00 25.23 H new ATOM 0 HD12 LEU A 45 -17.236 1.311 -4.008 1.00 25.23 H new ATOM 0 HD13 LEU A 45 -16.597 -0.311 -3.648 1.00 25.23 H new ATOM 0 HD21 LEU A 45 -18.666 -0.704 -1.264 1.00 51.32 H new ATOM 0 HD22 LEU A 45 -16.960 -1.189 -1.116 1.00 51.32 H new ATOM 0 HD23 LEU A 45 -17.657 -0.025 0.035 1.00 51.32 H new ATOM 701 N ASN A 46 -13.168 1.952 -0.635 1.00 25.11 N ATOM 702 CA ASN A 46 -11.868 2.582 -0.892 1.00 52.05 C ATOM 703 C ASN A 46 -11.720 2.838 -2.400 1.00 32.10 C ATOM 704 O ASN A 46 -12.462 2.287 -3.209 1.00 73.43 O ATOM 705 CB ASN A 46 -10.695 1.759 -0.333 1.00 22.52 C ATOM 706 CG ASN A 46 -10.324 0.540 -1.158 1.00 11.21 C ATOM 707 OD1 ASN A 46 -9.787 0.668 -2.249 1.00 33.22 O ATOM 708 ND2 ASN A 46 -10.545 -0.650 -0.656 1.00 4.44 N ATOM 0 H ASN A 46 -13.160 0.938 -0.748 1.00 25.11 H new ATOM 0 HA ASN A 46 -11.836 3.535 -0.363 1.00 52.05 H new ATOM 0 HB2 ASN A 46 -9.821 2.406 -0.252 1.00 22.52 H new ATOM 0 HB3 ASN A 46 -10.946 1.435 0.677 1.00 22.52 H new ATOM 0 HD21 ASN A 46 -10.268 -1.482 -1.176 1.00 4.44 H new ATOM 0 HD22 ASN A 46 -10.994 -0.744 0.255 1.00 4.44 H new ATOM 715 N ARG A 47 -10.753 3.678 -2.787 1.00 13.11 N ATOM 716 CA ARG A 47 -10.572 4.138 -4.178 1.00 44.14 C ATOM 717 C ARG A 47 -9.884 3.111 -5.093 1.00 11.21 C ATOM 718 O ARG A 47 -9.807 3.330 -6.300 1.00 23.43 O ATOM 719 CB ARG A 47 -9.755 5.440 -4.228 1.00 53.54 C ATOM 720 CG ARG A 47 -10.357 6.686 -3.564 1.00 50.40 C ATOM 721 CD ARG A 47 -11.472 7.412 -4.320 1.00 31.01 C ATOM 722 NE ARG A 47 -11.053 7.899 -5.649 1.00 41.51 N ATOM 723 CZ ARG A 47 -11.783 8.715 -6.424 1.00 25.13 C ATOM 724 NH1 ARG A 47 -12.981 9.133 -6.039 1.00 74.11 N ATOM 725 NH2 ARG A 47 -11.308 9.089 -7.608 1.00 43.30 N ATOM 0 H ARG A 47 -10.065 4.064 -2.141 1.00 13.11 H new ATOM 0 HA ARG A 47 -11.584 4.295 -4.550 1.00 44.14 H new ATOM 0 HB2 ARG A 47 -8.788 5.247 -3.764 1.00 53.54 H new ATOM 0 HB3 ARG A 47 -9.565 5.677 -5.275 1.00 53.54 H new ATOM 0 HG2 ARG A 47 -10.745 6.394 -2.588 1.00 50.40 H new ATOM 0 HG3 ARG A 47 -9.550 7.397 -3.387 1.00 50.40 H new ATOM 0 HD2 ARG A 47 -12.320 6.738 -4.438 1.00 31.01 H new ATOM 0 HD3 ARG A 47 -11.817 8.256 -3.723 1.00 31.01 H new ATOM 0 HE ARG A 47 -10.146 7.594 -6.002 1.00 41.51 H new ATOM 0 HH11 ARG A 47 -13.361 8.834 -5.141 1.00 74.11 H new ATOM 0 HH12 ARG A 47 -13.522 9.753 -6.641 1.00 74.11 H new ATOM 0 HH21 ARG A 47 -10.396 8.756 -7.920 1.00 43.30 H new ATOM 0 HH22 ARG A 47 -11.856 9.709 -8.204 1.00 43.30 H new ATOM 739 N GLY A 48 -9.271 2.068 -4.542 1.00 65.02 N ATOM 740 CA GLY A 48 -8.547 1.023 -5.258 1.00 51.35 C ATOM 741 C GLY A 48 -7.025 1.156 -5.173 1.00 53.55 C ATOM 742 O GLY A 48 -6.289 0.496 -5.906 1.00 73.03 O ATOM 0 H GLY A 48 -9.266 1.921 -3.533 1.00 65.02 H new ATOM 0 HA2 GLY A 48 -8.840 0.052 -4.859 1.00 51.35 H new ATOM 0 HA3 GLY A 48 -8.846 1.040 -6.306 1.00 51.35 H new ATOM 746 N PHE A 49 -6.522 1.986 -4.260 1.00 65.43 N ATOM 747 CA PHE A 49 -5.096 2.198 -4.037 1.00 51.52 C ATOM 748 C PHE A 49 -4.869 2.597 -2.581 1.00 72.43 C ATOM 749 O PHE A 49 -5.830 2.827 -1.832 1.00 21.32 O ATOM 750 CB PHE A 49 -4.537 3.234 -5.031 1.00 41.30 C ATOM 751 CG PHE A 49 -5.328 4.519 -5.130 1.00 30.23 C ATOM 752 CD1 PHE A 49 -5.044 5.604 -4.280 1.00 54.11 C ATOM 753 CD2 PHE A 49 -6.350 4.625 -6.088 1.00 14.51 C ATOM 754 CE1 PHE A 49 -5.805 6.783 -4.377 1.00 33.15 C ATOM 755 CE2 PHE A 49 -7.103 5.805 -6.182 1.00 42.14 C ATOM 756 CZ PHE A 49 -6.838 6.885 -5.323 1.00 73.31 C ATOM 0 H PHE A 49 -7.111 2.542 -3.641 1.00 65.43 H new ATOM 0 HA PHE A 49 -4.549 1.273 -4.220 1.00 51.52 H new ATOM 0 HB2 PHE A 49 -3.514 3.476 -4.743 1.00 41.30 H new ATOM 0 HB3 PHE A 49 -4.490 2.777 -6.020 1.00 41.30 H new ATOM 0 HD1 PHE A 49 -4.245 5.532 -3.557 1.00 54.11 H new ATOM 0 HD2 PHE A 49 -6.556 3.798 -6.752 1.00 14.51 H new ATOM 0 HE1 PHE A 49 -5.594 7.614 -3.721 1.00 33.15 H new ATOM 0 HE2 PHE A 49 -7.890 5.884 -6.918 1.00 42.14 H new ATOM 0 HZ PHE A 49 -7.426 7.789 -5.390 1.00 73.31 H new ATOM 766 N ALA A 50 -3.606 2.684 -2.174 1.00 42.42 N ATOM 767 CA ALA A 50 -3.168 3.235 -0.899 1.00 73.02 C ATOM 768 C ALA A 50 -1.743 3.772 -1.060 1.00 13.25 C ATOM 769 O ALA A 50 -1.088 3.464 -2.054 1.00 70.44 O ATOM 770 CB ALA A 50 -3.222 2.141 0.173 1.00 43.31 C ATOM 0 H ALA A 50 -2.829 2.358 -2.749 1.00 42.42 H new ATOM 0 HA ALA A 50 -3.822 4.050 -0.590 1.00 73.02 H new ATOM 0 HB1 ALA A 50 -2.895 2.551 1.128 1.00 43.31 H new ATOM 0 HB2 ALA A 50 -4.244 1.774 0.267 1.00 43.31 H new ATOM 0 HB3 ALA A 50 -2.566 1.319 -0.113 1.00 43.31 H new ATOM 776 N PHE A 51 -1.249 4.521 -0.075 1.00 22.13 N ATOM 777 CA PHE A 51 0.081 5.122 -0.071 1.00 45.50 C ATOM 778 C PHE A 51 0.737 4.802 1.266 1.00 53.33 C ATOM 779 O PHE A 51 0.193 5.188 2.295 1.00 41.43 O ATOM 780 CB PHE A 51 -0.026 6.646 -0.229 1.00 71.02 C ATOM 781 CG PHE A 51 -0.742 7.146 -1.464 1.00 32.32 C ATOM 782 CD1 PHE A 51 -0.012 7.399 -2.636 1.00 71.40 C ATOM 783 CD2 PHE A 51 -2.124 7.416 -1.428 1.00 25.14 C ATOM 784 CE1 PHE A 51 -0.661 7.888 -3.781 1.00 5.23 C ATOM 785 CE2 PHE A 51 -2.766 7.942 -2.561 1.00 25.41 C ATOM 786 CZ PHE A 51 -2.037 8.165 -3.742 1.00 4.32 C ATOM 0 H PHE A 51 -1.782 4.732 0.769 1.00 22.13 H new ATOM 0 HA PHE A 51 0.670 4.725 -0.898 1.00 45.50 H new ATOM 0 HB2 PHE A 51 -0.537 7.045 0.647 1.00 71.02 H new ATOM 0 HB3 PHE A 51 0.982 7.061 -0.227 1.00 71.02 H new ATOM 0 HD1 PHE A 51 1.052 7.217 -2.657 1.00 71.40 H new ATOM 0 HD2 PHE A 51 -2.690 7.219 -0.529 1.00 25.14 H new ATOM 0 HE1 PHE A 51 -0.102 8.051 -4.691 1.00 5.23 H new ATOM 0 HE2 PHE A 51 -3.820 8.175 -2.525 1.00 25.41 H new ATOM 0 HZ PHE A 51 -2.535 8.549 -4.620 1.00 4.32 H new ATOM 796 N ILE A 52 1.874 4.117 1.263 1.00 12.31 N ATOM 797 CA ILE A 52 2.712 3.809 2.415 1.00 62.12 C ATOM 798 C ILE A 52 3.749 4.929 2.529 1.00 5.33 C ATOM 799 O ILE A 52 4.509 5.168 1.586 1.00 22.23 O ATOM 800 CB ILE A 52 3.385 2.430 2.225 1.00 53.24 C ATOM 801 CG1 ILE A 52 2.363 1.301 1.963 1.00 32.24 C ATOM 802 CG2 ILE A 52 4.316 2.117 3.403 1.00 50.12 C ATOM 803 CD1 ILE A 52 2.961 -0.025 1.477 1.00 24.15 C ATOM 0 H ILE A 52 2.260 3.737 0.399 1.00 12.31 H new ATOM 0 HA ILE A 52 2.124 3.753 3.331 1.00 62.12 H new ATOM 0 HB ILE A 52 3.996 2.483 1.324 1.00 53.24 H new ATOM 0 HG12 ILE A 52 1.808 1.115 2.883 1.00 32.24 H new ATOM 0 HG13 ILE A 52 1.644 1.649 1.222 1.00 32.24 H new ATOM 0 HG21 ILE A 52 4.780 1.143 3.251 1.00 50.12 H new ATOM 0 HG22 ILE A 52 5.090 2.882 3.468 1.00 50.12 H new ATOM 0 HG23 ILE A 52 3.740 2.104 4.328 1.00 50.12 H new ATOM 0 HD11 ILE A 52 2.162 -0.750 1.323 1.00 24.15 H new ATOM 0 HD12 ILE A 52 3.490 0.137 0.538 1.00 24.15 H new ATOM 0 HD13 ILE A 52 3.657 -0.406 2.224 1.00 24.15 H new ATOM 815 N GLN A 53 3.733 5.666 3.640 1.00 53.34 N ATOM 816 CA GLN A 53 4.712 6.686 3.992 1.00 5.21 C ATOM 817 C GLN A 53 5.755 6.020 4.897 1.00 61.31 C ATOM 818 O GLN A 53 5.393 5.346 5.864 1.00 50.03 O ATOM 819 CB GLN A 53 4.028 7.874 4.705 1.00 65.32 C ATOM 820 CG GLN A 53 3.441 8.959 3.775 1.00 33.11 C ATOM 821 CD GLN A 53 2.077 8.628 3.163 1.00 41.14 C ATOM 822 OE1 GLN A 53 1.086 9.322 3.359 1.00 43.53 O ATOM 823 NE2 GLN A 53 1.987 7.606 2.335 1.00 10.22 N ATOM 0 H GLN A 53 3.005 5.561 4.347 1.00 53.34 H new ATOM 0 HA GLN A 53 5.191 7.089 3.099 1.00 5.21 H new ATOM 0 HB2 GLN A 53 3.226 7.486 5.333 1.00 65.32 H new ATOM 0 HB3 GLN A 53 4.754 8.343 5.369 1.00 65.32 H new ATOM 0 HG2 GLN A 53 3.352 9.888 4.338 1.00 33.11 H new ATOM 0 HG3 GLN A 53 4.149 9.143 2.967 1.00 33.11 H new ATOM 0 HE21 GLN A 53 2.802 7.018 2.160 1.00 10.22 H new ATOM 0 HE22 GLN A 53 1.103 7.403 1.869 1.00 10.22 H new ATOM 832 N LEU A 54 7.038 6.192 4.577 1.00 10.11 N ATOM 833 CA LEU A 54 8.183 5.592 5.261 1.00 53.30 C ATOM 834 C LEU A 54 9.258 6.677 5.441 1.00 52.13 C ATOM 835 O LEU A 54 8.924 7.855 5.581 1.00 54.53 O ATOM 836 CB LEU A 54 8.626 4.299 4.528 1.00 31.13 C ATOM 837 CG LEU A 54 7.841 3.037 4.950 1.00 5.52 C ATOM 838 CD1 LEU A 54 8.219 1.868 4.032 1.00 2.53 C ATOM 839 CD2 LEU A 54 8.110 2.637 6.407 1.00 63.24 C ATOM 0 H LEU A 54 7.320 6.783 3.795 1.00 10.11 H new ATOM 0 HA LEU A 54 7.937 5.248 6.266 1.00 53.30 H new ATOM 0 HB2 LEU A 54 8.510 4.444 3.454 1.00 31.13 H new ATOM 0 HB3 LEU A 54 9.687 4.133 4.714 1.00 31.13 H new ATOM 0 HG LEU A 54 6.780 3.272 4.861 1.00 5.52 H new ATOM 0 HD11 LEU A 54 7.665 0.978 4.330 1.00 2.53 H new ATOM 0 HD12 LEU A 54 7.972 2.121 3.001 1.00 2.53 H new ATOM 0 HD13 LEU A 54 9.289 1.674 4.112 1.00 2.53 H new ATOM 0 HD21 LEU A 54 7.534 1.745 6.652 1.00 63.24 H new ATOM 0 HD22 LEU A 54 9.172 2.430 6.537 1.00 63.24 H new ATOM 0 HD23 LEU A 54 7.815 3.452 7.068 1.00 63.24 H new ATOM 851 N SER A 55 10.529 6.298 5.557 1.00 44.50 N ATOM 852 CA SER A 55 11.673 7.203 5.607 1.00 54.14 C ATOM 853 C SER A 55 12.296 7.283 4.201 1.00 1.44 C ATOM 854 O SER A 55 12.087 6.385 3.381 1.00 32.32 O ATOM 855 CB SER A 55 12.657 6.631 6.635 1.00 71.30 C ATOM 856 OG SER A 55 13.514 7.591 7.208 1.00 31.45 O ATOM 0 H SER A 55 10.799 5.317 5.621 1.00 44.50 H new ATOM 0 HA SER A 55 11.391 8.213 5.904 1.00 54.14 H new ATOM 0 HB2 SER A 55 12.093 6.143 7.430 1.00 71.30 H new ATOM 0 HB3 SER A 55 13.261 5.861 6.154 1.00 71.30 H new ATOM 0 HG SER A 55 14.110 7.155 7.852 1.00 31.45 H new ATOM 862 N THR A 56 13.136 8.297 3.958 1.00 22.21 N ATOM 863 CA THR A 56 13.720 8.652 2.651 1.00 12.23 C ATOM 864 C THR A 56 14.610 7.574 2.018 1.00 34.04 C ATOM 865 O THR A 56 14.987 7.650 0.846 1.00 32.15 O ATOM 866 CB THR A 56 14.553 9.933 2.800 1.00 74.24 C ATOM 867 OG1 THR A 56 15.642 9.771 3.681 1.00 4.32 O ATOM 868 CG2 THR A 56 13.729 11.105 3.327 1.00 65.03 C ATOM 0 H THR A 56 13.444 8.925 4.701 1.00 22.21 H new ATOM 0 HA THR A 56 12.869 8.779 1.982 1.00 12.23 H new ATOM 0 HB THR A 56 14.911 10.143 1.792 1.00 74.24 H new ATOM 0 HG1 THR A 56 16.142 10.612 3.741 1.00 4.32 H new ATOM 0 HG21 THR A 56 14.364 11.986 3.414 1.00 65.03 H new ATOM 0 HG22 THR A 56 12.911 11.314 2.637 1.00 65.03 H new ATOM 0 HG23 THR A 56 13.322 10.853 4.306 1.00 65.03 H new ATOM 876 N ILE A 57 14.997 6.603 2.832 1.00 3.53 N ATOM 877 CA ILE A 57 15.827 5.470 2.465 1.00 74.43 C ATOM 878 C ILE A 57 15.023 4.191 2.680 1.00 65.42 C ATOM 879 O ILE A 57 15.049 3.310 1.823 1.00 32.35 O ATOM 880 CB ILE A 57 17.136 5.490 3.276 1.00 30.04 C ATOM 881 CG1 ILE A 57 17.866 6.837 3.103 1.00 5.45 C ATOM 882 CG2 ILE A 57 18.023 4.316 2.841 1.00 43.24 C ATOM 883 CD1 ILE A 57 19.167 6.897 3.894 1.00 13.45 C ATOM 0 H ILE A 57 14.726 6.585 3.815 1.00 3.53 H new ATOM 0 HA ILE A 57 16.111 5.521 1.414 1.00 74.43 H new ATOM 0 HB ILE A 57 16.904 5.380 4.335 1.00 30.04 H new ATOM 0 HG12 ILE A 57 18.078 6.999 2.046 1.00 5.45 H new ATOM 0 HG13 ILE A 57 17.211 7.647 3.424 1.00 5.45 H new ATOM 0 HG21 ILE A 57 18.950 4.329 3.414 1.00 43.24 H new ATOM 0 HG22 ILE A 57 17.498 3.378 3.020 1.00 43.24 H new ATOM 0 HG23 ILE A 57 18.252 4.407 1.779 1.00 43.24 H new ATOM 0 HD11 ILE A 57 19.643 7.865 3.739 1.00 13.45 H new ATOM 0 HD12 ILE A 57 18.954 6.763 4.955 1.00 13.45 H new ATOM 0 HD13 ILE A 57 19.836 6.106 3.555 1.00 13.45 H new ATOM 895 N GLU A 58 14.308 4.095 3.805 1.00 25.15 N ATOM 896 CA GLU A 58 13.557 2.911 4.205 1.00 53.14 C ATOM 897 C GLU A 58 12.561 2.533 3.120 1.00 34.43 C ATOM 898 O GLU A 58 12.522 1.375 2.733 1.00 73.33 O ATOM 899 CB GLU A 58 12.803 3.172 5.512 1.00 34.15 C ATOM 900 CG GLU A 58 13.733 3.327 6.718 1.00 25.15 C ATOM 901 CD GLU A 58 14.089 1.972 7.327 1.00 72.33 C ATOM 902 OE1 GLU A 58 13.497 1.623 8.377 1.00 74.21 O ATOM 903 OE2 GLU A 58 14.900 1.236 6.730 1.00 25.45 O ATOM 0 H GLU A 58 14.237 4.860 4.476 1.00 25.15 H new ATOM 0 HA GLU A 58 14.262 2.093 4.355 1.00 53.14 H new ATOM 0 HB2 GLU A 58 12.203 4.075 5.405 1.00 34.15 H new ATOM 0 HB3 GLU A 58 12.112 2.350 5.697 1.00 34.15 H new ATOM 0 HG2 GLU A 58 14.645 3.841 6.412 1.00 25.15 H new ATOM 0 HG3 GLU A 58 13.253 3.951 7.472 1.00 25.15 H new ATOM 910 N ALA A 59 11.788 3.495 2.600 1.00 23.13 N ATOM 911 CA ALA A 59 10.807 3.234 1.550 1.00 71.13 C ATOM 912 C ALA A 59 11.454 2.484 0.379 1.00 3.53 C ATOM 913 O ALA A 59 10.984 1.419 -0.017 1.00 5.15 O ATOM 914 CB ALA A 59 10.185 4.554 1.085 1.00 11.41 C ATOM 0 H ALA A 59 11.828 4.470 2.897 1.00 23.13 H new ATOM 0 HA ALA A 59 10.016 2.600 1.950 1.00 71.13 H new ATOM 0 HB1 ALA A 59 9.454 4.356 0.302 1.00 11.41 H new ATOM 0 HB2 ALA A 59 9.692 5.040 1.927 1.00 11.41 H new ATOM 0 HB3 ALA A 59 10.966 5.207 0.695 1.00 11.41 H new ATOM 920 N ALA A 60 12.554 3.033 -0.140 1.00 4.55 N ATOM 921 CA ALA A 60 13.313 2.456 -1.234 1.00 44.11 C ATOM 922 C ALA A 60 13.867 1.076 -0.855 1.00 63.12 C ATOM 923 O ALA A 60 13.716 0.114 -1.608 1.00 71.22 O ATOM 924 CB ALA A 60 14.438 3.432 -1.611 1.00 31.32 C ATOM 0 H ALA A 60 12.945 3.911 0.202 1.00 4.55 H new ATOM 0 HA ALA A 60 12.663 2.304 -2.095 1.00 44.11 H new ATOM 0 HB1 ALA A 60 15.021 3.016 -2.433 1.00 31.32 H new ATOM 0 HB2 ALA A 60 14.006 4.384 -1.919 1.00 31.32 H new ATOM 0 HB3 ALA A 60 15.087 3.590 -0.749 1.00 31.32 H new ATOM 930 N GLN A 61 14.551 0.969 0.288 1.00 33.02 N ATOM 931 CA GLN A 61 15.201 -0.266 0.708 1.00 73.40 C ATOM 932 C GLN A 61 14.181 -1.387 0.894 1.00 45.12 C ATOM 933 O GLN A 61 14.388 -2.482 0.371 1.00 65.20 O ATOM 934 CB GLN A 61 16.011 -0.062 2.000 1.00 14.13 C ATOM 935 CG GLN A 61 17.417 0.491 1.720 1.00 74.04 C ATOM 936 CD GLN A 61 18.366 0.251 2.893 1.00 10.23 C ATOM 937 OE1 GLN A 61 18.504 -0.878 3.357 1.00 2.33 O ATOM 938 NE2 GLN A 61 19.101 1.245 3.362 1.00 44.30 N ATOM 0 H GLN A 61 14.667 1.740 0.946 1.00 33.02 H new ATOM 0 HA GLN A 61 15.892 -0.555 -0.084 1.00 73.40 H new ATOM 0 HB2 GLN A 61 15.477 0.624 2.658 1.00 14.13 H new ATOM 0 HB3 GLN A 61 16.094 -1.011 2.529 1.00 14.13 H new ATOM 0 HG2 GLN A 61 17.821 0.020 0.824 1.00 74.04 H new ATOM 0 HG3 GLN A 61 17.353 1.560 1.517 1.00 74.04 H new ATOM 0 HE21 GLN A 61 18.991 2.185 2.981 1.00 44.30 H new ATOM 0 HE22 GLN A 61 19.778 1.072 4.105 1.00 44.30 H new ATOM 947 N LEU A 62 13.103 -1.128 1.633 1.00 50.14 N ATOM 948 CA LEU A 62 12.067 -2.100 1.948 1.00 73.12 C ATOM 949 C LEU A 62 11.388 -2.563 0.668 1.00 45.50 C ATOM 950 O LEU A 62 11.201 -3.762 0.479 1.00 14.44 O ATOM 951 CB LEU A 62 11.049 -1.477 2.922 1.00 25.41 C ATOM 952 CG LEU A 62 10.363 -2.441 3.887 1.00 54.13 C ATOM 953 CD1 LEU A 62 9.820 -3.717 3.255 1.00 25.14 C ATOM 954 CD2 LEU A 62 11.260 -2.783 5.081 1.00 65.33 C ATOM 0 H LEU A 62 12.925 -0.209 2.039 1.00 50.14 H new ATOM 0 HA LEU A 62 12.514 -2.969 2.430 1.00 73.12 H new ATOM 0 HB2 LEU A 62 11.559 -0.711 3.507 1.00 25.41 H new ATOM 0 HB3 LEU A 62 10.280 -0.972 2.337 1.00 25.41 H new ATOM 0 HG LEU A 62 9.489 -1.888 4.231 1.00 54.13 H new ATOM 0 HD11 LEU A 62 9.353 -4.333 4.023 1.00 25.14 H new ATOM 0 HD12 LEU A 62 9.081 -3.461 2.496 1.00 25.14 H new ATOM 0 HD13 LEU A 62 10.638 -4.271 2.793 1.00 25.14 H new ATOM 0 HD21 LEU A 62 10.736 -3.471 5.744 1.00 65.33 H new ATOM 0 HD22 LEU A 62 12.178 -3.251 4.724 1.00 65.33 H new ATOM 0 HD23 LEU A 62 11.505 -1.871 5.625 1.00 65.33 H new ATOM 966 N LEU A 63 11.059 -1.634 -0.236 1.00 65.00 N ATOM 967 CA LEU A 63 10.434 -1.972 -1.505 1.00 43.32 C ATOM 968 C LEU A 63 11.262 -3.043 -2.229 1.00 51.30 C ATOM 969 O LEU A 63 10.709 -4.031 -2.713 1.00 3.24 O ATOM 970 CB LEU A 63 10.318 -0.702 -2.366 1.00 24.23 C ATOM 971 CG LEU A 63 9.720 -0.936 -3.768 1.00 10.13 C ATOM 972 CD1 LEU A 63 8.198 -0.783 -3.766 1.00 73.21 C ATOM 973 CD2 LEU A 63 10.326 0.067 -4.746 1.00 41.34 C ATOM 0 H LEU A 63 11.220 -0.635 -0.104 1.00 65.00 H new ATOM 0 HA LEU A 63 9.436 -2.374 -1.328 1.00 43.32 H new ATOM 0 HB2 LEU A 63 9.701 0.025 -1.838 1.00 24.23 H new ATOM 0 HB3 LEU A 63 11.308 -0.260 -2.476 1.00 24.23 H new ATOM 0 HG LEU A 63 9.956 -1.956 -4.071 1.00 10.13 H new ATOM 0 HD11 LEU A 63 7.814 -0.955 -4.771 1.00 73.21 H new ATOM 0 HD12 LEU A 63 7.760 -1.509 -3.081 1.00 73.21 H new ATOM 0 HD13 LEU A 63 7.934 0.224 -3.444 1.00 73.21 H new ATOM 0 HD21 LEU A 63 9.906 -0.094 -5.739 1.00 41.34 H new ATOM 0 HD22 LEU A 63 10.098 1.080 -4.416 1.00 41.34 H new ATOM 0 HD23 LEU A 63 11.407 -0.068 -4.783 1.00 41.34 H new ATOM 985 N GLN A 64 12.586 -2.861 -2.291 1.00 2.13 N ATOM 986 CA GLN A 64 13.472 -3.773 -3.006 1.00 54.54 C ATOM 987 C GLN A 64 13.478 -5.183 -2.440 1.00 33.05 C ATOM 988 O GLN A 64 13.756 -6.123 -3.185 1.00 5.35 O ATOM 989 CB GLN A 64 14.915 -3.246 -2.985 1.00 43.40 C ATOM 990 CG GLN A 64 15.122 -2.046 -3.899 1.00 50.23 C ATOM 991 CD GLN A 64 14.643 -2.355 -5.309 1.00 61.40 C ATOM 992 OE1 GLN A 64 15.241 -3.152 -6.022 1.00 21.21 O ATOM 993 NE2 GLN A 64 13.495 -1.822 -5.674 1.00 11.25 N ATOM 0 H GLN A 64 13.067 -2.079 -1.847 1.00 2.13 H new ATOM 0 HA GLN A 64 13.082 -3.820 -4.023 1.00 54.54 H new ATOM 0 HB2 GLN A 64 15.180 -2.969 -1.965 1.00 43.40 H new ATOM 0 HB3 GLN A 64 15.593 -4.045 -3.285 1.00 43.40 H new ATOM 0 HG2 GLN A 64 14.580 -1.186 -3.506 1.00 50.23 H new ATOM 0 HG3 GLN A 64 16.178 -1.776 -3.919 1.00 50.23 H new ATOM 0 HE21 GLN A 64 13.021 -1.161 -5.058 1.00 11.25 H new ATOM 0 HE22 GLN A 64 13.080 -2.070 -6.572 1.00 11.25 H new ATOM 1002 N ILE A 65 13.205 -5.324 -1.148 1.00 50.31 N ATOM 1003 CA ILE A 65 13.051 -6.621 -0.487 1.00 2.45 C ATOM 1004 C ILE A 65 11.868 -7.338 -1.149 1.00 5.15 C ATOM 1005 O ILE A 65 12.070 -8.360 -1.802 1.00 31.45 O ATOM 1006 CB ILE A 65 12.944 -6.486 1.057 1.00 4.12 C ATOM 1007 CG1 ILE A 65 14.155 -5.718 1.633 1.00 54.21 C ATOM 1008 CG2 ILE A 65 12.840 -7.857 1.741 1.00 53.33 C ATOM 1009 CD1 ILE A 65 13.997 -5.317 3.103 1.00 22.23 C ATOM 0 H ILE A 65 13.082 -4.531 -0.518 1.00 50.31 H new ATOM 0 HA ILE A 65 13.942 -7.234 -0.621 1.00 2.45 H new ATOM 0 HB ILE A 65 12.032 -5.925 1.261 1.00 4.12 H new ATOM 0 HG12 ILE A 65 15.047 -6.336 1.530 1.00 54.21 H new ATOM 0 HG13 ILE A 65 14.319 -4.820 1.038 1.00 54.21 H new ATOM 0 HG21 ILE A 65 12.767 -7.721 2.820 1.00 53.33 H new ATOM 0 HG22 ILE A 65 11.953 -8.377 1.380 1.00 53.33 H new ATOM 0 HG23 ILE A 65 13.726 -8.447 1.509 1.00 53.33 H new ATOM 0 HD11 ILE A 65 14.888 -4.783 3.432 1.00 22.23 H new ATOM 0 HD12 ILE A 65 13.126 -4.671 3.212 1.00 22.23 H new ATOM 0 HD13 ILE A 65 13.865 -6.211 3.712 1.00 22.23 H new ATOM 1021 N LEU A 66 10.652 -6.782 -1.071 1.00 4.44 N ATOM 1022 CA LEU A 66 9.452 -7.400 -1.652 1.00 30.03 C ATOM 1023 C LEU A 66 9.590 -7.660 -3.158 1.00 33.24 C ATOM 1024 O LEU A 66 8.981 -8.595 -3.675 1.00 23.42 O ATOM 1025 CB LEU A 66 8.189 -6.551 -1.427 1.00 54.30 C ATOM 1026 CG LEU A 66 7.677 -6.381 0.015 1.00 24.31 C ATOM 1027 CD1 LEU A 66 7.606 -7.672 0.831 1.00 5.23 C ATOM 1028 CD2 LEU A 66 8.486 -5.378 0.820 1.00 65.33 C ATOM 0 H LEU A 66 10.472 -5.893 -0.604 1.00 4.44 H new ATOM 0 HA LEU A 66 9.351 -8.352 -1.131 1.00 30.03 H new ATOM 0 HB2 LEU A 66 8.379 -5.557 -1.833 1.00 54.30 H new ATOM 0 HB3 LEU A 66 7.384 -6.988 -2.017 1.00 54.30 H new ATOM 0 HG LEU A 66 6.662 -6.016 -0.142 1.00 24.31 H new ATOM 0 HD11 LEU A 66 7.234 -7.450 1.831 1.00 5.23 H new ATOM 0 HD12 LEU A 66 6.932 -8.375 0.341 1.00 5.23 H new ATOM 0 HD13 LEU A 66 8.601 -8.112 0.903 1.00 5.23 H new ATOM 0 HD21 LEU A 66 8.075 -5.304 1.827 1.00 65.33 H new ATOM 0 HD22 LEU A 66 9.523 -5.708 0.875 1.00 65.33 H new ATOM 0 HD23 LEU A 66 8.441 -4.402 0.337 1.00 65.33 H new ATOM 1040 N GLN A 67 10.359 -6.841 -3.878 1.00 34.24 N ATOM 1041 CA GLN A 67 10.619 -7.037 -5.306 1.00 70.43 C ATOM 1042 C GLN A 67 11.621 -8.158 -5.566 1.00 10.25 C ATOM 1043 O GLN A 67 11.577 -8.797 -6.622 1.00 12.43 O ATOM 1044 CB GLN A 67 11.044 -5.707 -5.953 1.00 54.12 C ATOM 1045 CG GLN A 67 9.894 -4.679 -5.946 1.00 52.54 C ATOM 1046 CD GLN A 67 10.219 -3.378 -6.693 1.00 2.13 C ATOM 1047 OE1 GLN A 67 11.341 -3.146 -7.140 1.00 50.44 O ATOM 1048 NE2 GLN A 67 9.263 -2.480 -6.870 1.00 72.14 N ATOM 0 H GLN A 67 10.821 -6.020 -3.486 1.00 34.24 H new ATOM 0 HA GLN A 67 9.691 -7.361 -5.778 1.00 70.43 H new ATOM 0 HB2 GLN A 67 11.901 -5.299 -5.417 1.00 54.12 H new ATOM 0 HB3 GLN A 67 11.366 -5.887 -6.979 1.00 54.12 H new ATOM 0 HG2 GLN A 67 9.011 -5.133 -6.395 1.00 52.54 H new ATOM 0 HG3 GLN A 67 9.640 -4.440 -4.913 1.00 52.54 H new ATOM 0 HE21 GLN A 67 8.326 -2.654 -6.507 1.00 72.14 H new ATOM 0 HE22 GLN A 67 9.463 -1.614 -7.370 1.00 72.14 H new ATOM 1057 N ALA A 68 12.496 -8.438 -4.606 1.00 3.34 N ATOM 1058 CA ALA A 68 13.480 -9.489 -4.745 1.00 34.13 C ATOM 1059 C ALA A 68 12.918 -10.872 -4.399 1.00 73.03 C ATOM 1060 O ALA A 68 13.391 -11.868 -4.954 1.00 53.32 O ATOM 1061 CB ALA A 68 14.706 -9.175 -3.882 1.00 10.13 C ATOM 0 H ALA A 68 12.538 -7.941 -3.716 1.00 3.34 H new ATOM 0 HA ALA A 68 13.772 -9.523 -5.794 1.00 34.13 H new ATOM 0 HB1 ALA A 68 15.442 -9.971 -3.992 1.00 10.13 H new ATOM 0 HB2 ALA A 68 15.144 -8.229 -4.202 1.00 10.13 H new ATOM 0 HB3 ALA A 68 14.406 -9.101 -2.837 1.00 10.13 H new ATOM 1067 N LEU A 69 11.934 -10.963 -3.502 1.00 1.44 N ATOM 1068 CA LEU A 69 11.282 -12.212 -3.090 1.00 21.43 C ATOM 1069 C LEU A 69 10.024 -12.479 -3.932 1.00 45.44 C ATOM 1070 O LEU A 69 9.915 -11.977 -5.058 1.00 34.34 O ATOM 1071 CB LEU A 69 11.066 -12.225 -1.562 1.00 31.21 C ATOM 1072 CG LEU A 69 10.169 -11.100 -1.008 1.00 53.34 C ATOM 1073 CD1 LEU A 69 8.783 -11.576 -0.566 1.00 44.25 C ATOM 1074 CD2 LEU A 69 10.837 -10.472 0.212 1.00 62.41 C ATOM 0 H LEU A 69 11.555 -10.144 -3.026 1.00 1.44 H new ATOM 0 HA LEU A 69 11.935 -13.061 -3.295 1.00 21.43 H new ATOM 0 HB2 LEU A 69 10.630 -13.184 -1.283 1.00 31.21 H new ATOM 0 HB3 LEU A 69 12.039 -12.163 -1.075 1.00 31.21 H new ATOM 0 HG LEU A 69 10.041 -10.393 -1.827 1.00 53.34 H new ATOM 0 HD11 LEU A 69 8.211 -10.729 -0.188 1.00 44.25 H new ATOM 0 HD12 LEU A 69 8.261 -12.016 -1.416 1.00 44.25 H new ATOM 0 HD13 LEU A 69 8.889 -12.322 0.221 1.00 44.25 H new ATOM 0 HD21 LEU A 69 10.204 -9.676 0.604 1.00 62.41 H new ATOM 0 HD22 LEU A 69 10.982 -11.232 0.979 1.00 62.41 H new ATOM 0 HD23 LEU A 69 11.803 -10.058 -0.075 1.00 62.41 H new ATOM 1086 N HIS A 70 9.143 -13.372 -3.475 1.00 10.11 N ATOM 1087 CA HIS A 70 7.868 -13.668 -4.132 1.00 2.44 C ATOM 1088 C HIS A 70 6.998 -12.400 -4.282 1.00 50.24 C ATOM 1089 O HIS A 70 7.150 -11.441 -3.520 1.00 45.45 O ATOM 1090 CB HIS A 70 7.097 -14.743 -3.336 1.00 22.01 C ATOM 1091 CG HIS A 70 7.275 -16.151 -3.854 1.00 32.14 C ATOM 1092 ND1 HIS A 70 6.446 -16.802 -4.749 1.00 23.00 N ATOM 1093 CD2 HIS A 70 8.262 -17.028 -3.491 1.00 42.15 C ATOM 1094 CE1 HIS A 70 6.919 -18.046 -4.917 1.00 3.51 C ATOM 1095 NE2 HIS A 70 8.032 -18.224 -4.181 1.00 73.22 N ATOM 0 H HIS A 70 9.297 -13.917 -2.627 1.00 10.11 H new ATOM 0 HA HIS A 70 8.089 -14.044 -5.131 1.00 2.44 H new ATOM 0 HB2 HIS A 70 7.420 -14.708 -2.295 1.00 22.01 H new ATOM 0 HB3 HIS A 70 6.036 -14.496 -3.349 1.00 22.01 H new ATOM 0 HD2 HIS A 70 9.069 -16.833 -2.800 1.00 42.15 H new ATOM 0 HE1 HIS A 70 6.471 -18.797 -5.551 1.00 3.51 H new ATOM 0 HE2 HIS A 70 8.600 -19.070 -4.135 1.00 73.22 H new ATOM 1103 N PRO A 71 6.029 -12.409 -5.213 1.00 70.03 N ATOM 1104 CA PRO A 71 5.091 -11.310 -5.406 1.00 24.33 C ATOM 1105 C PRO A 71 4.196 -11.076 -4.178 1.00 14.11 C ATOM 1106 O PRO A 71 4.138 -11.918 -3.272 1.00 30.02 O ATOM 1107 CB PRO A 71 4.282 -11.674 -6.659 1.00 4.34 C ATOM 1108 CG PRO A 71 4.436 -13.181 -6.795 1.00 34.22 C ATOM 1109 CD PRO A 71 5.813 -13.443 -6.209 1.00 5.30 C ATOM 0 HA PRO A 71 5.616 -10.364 -5.536 1.00 24.33 H new ATOM 0 HB2 PRO A 71 3.235 -11.391 -6.550 1.00 4.34 H new ATOM 0 HB3 PRO A 71 4.662 -11.156 -7.540 1.00 4.34 H new ATOM 0 HG2 PRO A 71 3.658 -13.716 -6.250 1.00 34.22 H new ATOM 0 HG3 PRO A 71 4.374 -13.500 -7.835 1.00 34.22 H new ATOM 0 HD2 PRO A 71 5.863 -14.434 -5.759 1.00 5.30 H new ATOM 0 HD3 PRO A 71 6.580 -13.405 -6.983 1.00 5.30 H new ATOM 1117 N PRO A 72 3.477 -9.940 -4.136 1.00 22.11 N ATOM 1118 CA PRO A 72 2.611 -9.575 -3.022 1.00 31.41 C ATOM 1119 C PRO A 72 1.466 -10.569 -2.839 1.00 10.13 C ATOM 1120 O PRO A 72 1.073 -11.286 -3.760 1.00 62.15 O ATOM 1121 CB PRO A 72 2.071 -8.178 -3.344 1.00 42.55 C ATOM 1122 CG PRO A 72 2.212 -8.100 -4.857 1.00 73.42 C ATOM 1123 CD PRO A 72 3.475 -8.884 -5.133 1.00 10.51 C ATOM 0 HA PRO A 72 3.168 -9.587 -2.085 1.00 31.41 H new ATOM 0 HB2 PRO A 72 1.034 -8.063 -3.028 1.00 42.55 H new ATOM 0 HB3 PRO A 72 2.645 -7.398 -2.844 1.00 42.55 H new ATOM 0 HG2 PRO A 72 1.350 -8.535 -5.364 1.00 73.42 H new ATOM 0 HG3 PRO A 72 2.296 -7.069 -5.200 1.00 73.42 H new ATOM 0 HD2 PRO A 72 3.475 -9.293 -6.143 1.00 10.51 H new ATOM 0 HD3 PRO A 72 4.360 -8.254 -5.044 1.00 10.51 H new ATOM 1131 N LEU A 73 0.904 -10.591 -1.634 1.00 30.00 N ATOM 1132 CA LEU A 73 -0.252 -11.384 -1.276 1.00 74.44 C ATOM 1133 C LEU A 73 -1.545 -10.789 -1.843 1.00 24.13 C ATOM 1134 O LEU A 73 -1.578 -9.733 -2.481 1.00 11.20 O ATOM 1135 CB LEU A 73 -0.291 -11.504 0.265 1.00 42.15 C ATOM 1136 CG LEU A 73 -0.132 -12.956 0.749 1.00 1.41 C ATOM 1137 CD1 LEU A 73 0.955 -13.060 1.819 1.00 54.22 C ATOM 1138 CD2 LEU A 73 -1.457 -13.471 1.298 1.00 73.04 C ATOM 0 H LEU A 73 1.259 -10.034 -0.857 1.00 30.00 H new ATOM 0 HA LEU A 73 -0.171 -12.378 -1.715 1.00 74.44 H new ATOM 0 HB2 LEU A 73 0.503 -10.893 0.694 1.00 42.15 H new ATOM 0 HB3 LEU A 73 -1.235 -11.103 0.633 1.00 42.15 H new ATOM 0 HG LEU A 73 0.167 -13.569 -0.101 1.00 1.41 H new ATOM 0 HD11 LEU A 73 1.047 -14.096 2.144 1.00 54.22 H new ATOM 0 HD12 LEU A 73 1.906 -12.723 1.406 1.00 54.22 H new ATOM 0 HD13 LEU A 73 0.688 -12.435 2.671 1.00 54.22 H new ATOM 0 HD21 LEU A 73 -1.335 -14.499 1.638 1.00 73.04 H new ATOM 0 HD22 LEU A 73 -1.771 -12.847 2.135 1.00 73.04 H new ATOM 0 HD23 LEU A 73 -2.214 -13.436 0.514 1.00 73.04 H new ATOM 1150 N THR A 74 -2.635 -11.481 -1.543 1.00 13.22 N ATOM 1151 CA THR A 74 -4.008 -11.085 -1.781 1.00 42.41 C ATOM 1152 C THR A 74 -4.761 -11.322 -0.469 1.00 45.33 C ATOM 1153 O THR A 74 -4.384 -12.190 0.317 1.00 54.42 O ATOM 1154 CB THR A 74 -4.588 -11.866 -2.981 1.00 30.13 C ATOM 1155 OG1 THR A 74 -5.999 -11.909 -2.894 1.00 70.23 O ATOM 1156 CG2 THR A 74 -4.098 -13.296 -3.148 1.00 65.21 C ATOM 0 H THR A 74 -2.575 -12.396 -1.096 1.00 13.22 H new ATOM 0 HA THR A 74 -4.099 -10.034 -2.056 1.00 42.41 H new ATOM 0 HB THR A 74 -4.231 -11.312 -3.849 1.00 30.13 H new ATOM 0 HG1 THR A 74 -6.328 -12.732 -3.312 1.00 70.23 H new ATOM 0 HG21 THR A 74 -4.572 -13.744 -4.021 1.00 65.21 H new ATOM 0 HG22 THR A 74 -3.016 -13.297 -3.282 1.00 65.21 H new ATOM 0 HG23 THR A 74 -4.354 -13.874 -2.260 1.00 65.21 H new ATOM 1164 N ILE A 75 -5.832 -10.562 -0.233 1.00 11.54 N ATOM 1165 CA ILE A 75 -6.668 -10.649 0.962 1.00 24.41 C ATOM 1166 C ILE A 75 -8.159 -10.670 0.572 1.00 4.31 C ATOM 1167 O ILE A 75 -9.026 -10.381 1.394 1.00 44.22 O ATOM 1168 CB ILE A 75 -6.327 -9.494 1.946 1.00 3.21 C ATOM 1169 CG1 ILE A 75 -4.850 -9.025 1.990 1.00 43.24 C ATOM 1170 CG2 ILE A 75 -6.677 -9.959 3.370 1.00 41.15 C ATOM 1171 CD1 ILE A 75 -4.401 -8.004 0.934 1.00 23.40 C ATOM 0 H ILE A 75 -6.150 -9.848 -0.889 1.00 11.54 H new ATOM 0 HA ILE A 75 -6.459 -11.584 1.482 1.00 24.41 H new ATOM 0 HB ILE A 75 -6.905 -8.646 1.579 1.00 3.21 H new ATOM 0 HG12 ILE A 75 -4.662 -8.596 2.974 1.00 43.24 H new ATOM 0 HG13 ILE A 75 -4.214 -9.906 1.899 1.00 43.24 H new ATOM 0 HG21 ILE A 75 -6.446 -9.164 4.079 1.00 41.15 H new ATOM 0 HG22 ILE A 75 -7.739 -10.197 3.424 1.00 41.15 H new ATOM 0 HG23 ILE A 75 -6.094 -10.846 3.617 1.00 41.15 H new ATOM 0 HD11 ILE A 75 -3.348 -7.766 1.083 1.00 23.40 H new ATOM 0 HD12 ILE A 75 -4.541 -8.425 -0.062 1.00 23.40 H new ATOM 0 HD13 ILE A 75 -4.995 -7.095 1.030 1.00 23.40 H new ATOM 1183 N ASP A 76 -8.475 -10.907 -0.706 1.00 65.34 N ATOM 1184 CA ASP A 76 -9.851 -10.863 -1.242 1.00 3.23 C ATOM 1185 C ASP A 76 -9.891 -11.327 -2.705 1.00 32.14 C ATOM 1186 O ASP A 76 -10.672 -10.819 -3.513 1.00 30.12 O ATOM 1187 CB ASP A 76 -10.391 -9.428 -1.145 1.00 25.40 C ATOM 1188 CG ASP A 76 -11.872 -9.293 -0.845 1.00 64.12 C ATOM 1189 OD1 ASP A 76 -12.245 -9.569 0.316 1.00 5.42 O ATOM 1190 OD2 ASP A 76 -12.532 -8.523 -1.575 1.00 62.12 O ATOM 0 H ASP A 76 -7.776 -11.139 -1.412 1.00 65.34 H new ATOM 0 HA ASP A 76 -10.471 -11.537 -0.652 1.00 3.23 H new ATOM 0 HB2 ASP A 76 -9.834 -8.903 -0.369 1.00 25.40 H new ATOM 0 HB3 ASP A 76 -10.183 -8.919 -2.086 1.00 25.40 H new ATOM 1195 N GLY A 77 -8.958 -12.191 -3.104 1.00 21.02 N ATOM 1196 CA GLY A 77 -8.802 -12.593 -4.493 1.00 14.41 C ATOM 1197 C GLY A 77 -8.253 -11.492 -5.403 1.00 25.31 C ATOM 1198 O GLY A 77 -8.477 -11.575 -6.612 1.00 44.41 O ATOM 0 H GLY A 77 -8.291 -12.630 -2.469 1.00 21.02 H new ATOM 0 HA2 GLY A 77 -8.135 -13.454 -4.538 1.00 14.41 H new ATOM 0 HA3 GLY A 77 -9.769 -12.919 -4.877 1.00 14.41 H new ATOM 1202 N LYS A 78 -7.571 -10.455 -4.884 1.00 33.20 N ATOM 1203 CA LYS A 78 -6.915 -9.423 -5.665 1.00 41.15 C ATOM 1204 C LYS A 78 -5.416 -9.488 -5.396 1.00 64.22 C ATOM 1205 O LYS A 78 -5.006 -9.174 -4.283 1.00 1.50 O ATOM 1206 CB LYS A 78 -7.519 -8.052 -5.313 1.00 63.44 C ATOM 1207 CG LYS A 78 -8.187 -7.868 -3.933 1.00 41.43 C ATOM 1208 CD LYS A 78 -7.299 -8.059 -2.687 1.00 45.54 C ATOM 1209 CE LYS A 78 -7.404 -6.936 -1.672 1.00 30.11 C ATOM 1210 NZ LYS A 78 -8.528 -6.966 -0.708 1.00 12.32 N ATOM 0 H LYS A 78 -7.466 -10.320 -3.879 1.00 33.20 H new ATOM 0 HA LYS A 78 -7.072 -9.578 -6.732 1.00 41.15 H new ATOM 0 HB2 LYS A 78 -6.725 -7.310 -5.398 1.00 63.44 H new ATOM 0 HB3 LYS A 78 -8.262 -7.813 -6.074 1.00 63.44 H new ATOM 0 HG2 LYS A 78 -8.611 -6.865 -3.895 1.00 41.43 H new ATOM 0 HG3 LYS A 78 -9.019 -8.569 -3.865 1.00 41.43 H new ATOM 0 HD2 LYS A 78 -7.568 -8.998 -2.203 1.00 45.54 H new ATOM 0 HD3 LYS A 78 -6.260 -8.151 -3.005 1.00 45.54 H new ATOM 0 HE2 LYS A 78 -6.476 -6.916 -1.101 1.00 30.11 H new ATOM 0 HE3 LYS A 78 -7.461 -5.996 -2.221 1.00 30.11 H new ATOM 0 HZ1 LYS A 78 -8.570 -6.062 -0.195 1.00 12.32 H new ATOM 0 HZ2 LYS A 78 -9.421 -7.115 -1.220 1.00 12.32 H new ATOM 0 HZ3 LYS A 78 -8.384 -7.742 -0.031 1.00 12.32 H new ATOM 1224 N THR A 79 -4.567 -9.911 -6.333 1.00 71.33 N ATOM 1225 CA THR A 79 -3.139 -9.754 -6.070 1.00 13.42 C ATOM 1226 C THR A 79 -2.837 -8.261 -6.053 1.00 23.44 C ATOM 1227 O THR A 79 -3.025 -7.591 -7.069 1.00 23.32 O ATOM 1228 CB THR A 79 -2.245 -10.469 -7.076 1.00 72.04 C ATOM 1229 OG1 THR A 79 -2.816 -11.689 -7.518 1.00 1.43 O ATOM 1230 CG2 THR A 79 -0.857 -10.702 -6.466 1.00 71.41 C ATOM 0 H THR A 79 -4.820 -10.338 -7.224 1.00 71.33 H new ATOM 0 HA THR A 79 -2.916 -10.221 -5.111 1.00 13.42 H new ATOM 0 HB THR A 79 -2.146 -9.830 -7.953 1.00 72.04 H new ATOM 0 HG1 THR A 79 -2.215 -12.117 -8.163 1.00 1.43 H new ATOM 0 HG21 THR A 79 -0.223 -11.213 -7.190 1.00 71.41 H new ATOM 0 HG22 THR A 79 -0.409 -9.743 -6.204 1.00 71.41 H new ATOM 0 HG23 THR A 79 -0.952 -11.315 -5.570 1.00 71.41 H new ATOM 1238 N ILE A 80 -2.431 -7.725 -4.906 1.00 2.13 N ATOM 1239 CA ILE A 80 -2.083 -6.317 -4.799 1.00 74.35 C ATOM 1240 C ILE A 80 -0.992 -6.007 -5.836 1.00 71.05 C ATOM 1241 O ILE A 80 -0.135 -6.843 -6.115 1.00 42.15 O ATOM 1242 CB ILE A 80 -1.699 -6.015 -3.335 1.00 30.20 C ATOM 1243 CG1 ILE A 80 -2.804 -6.401 -2.320 1.00 31.30 C ATOM 1244 CG2 ILE A 80 -1.292 -4.560 -3.103 1.00 44.11 C ATOM 1245 CD1 ILE A 80 -4.168 -5.751 -2.588 1.00 42.45 C ATOM 0 H ILE A 80 -2.336 -8.249 -4.036 1.00 2.13 H new ATOM 0 HA ILE A 80 -2.917 -5.655 -5.031 1.00 74.35 H new ATOM 0 HB ILE A 80 -0.830 -6.648 -3.158 1.00 30.20 H new ATOM 0 HG12 ILE A 80 -2.924 -7.484 -2.327 1.00 31.30 H new ATOM 0 HG13 ILE A 80 -2.474 -6.123 -1.319 1.00 31.30 H new ATOM 0 HG21 ILE A 80 -1.035 -4.417 -2.053 1.00 44.11 H new ATOM 0 HG22 ILE A 80 -0.429 -4.320 -3.724 1.00 44.11 H new ATOM 0 HG23 ILE A 80 -2.122 -3.904 -3.366 1.00 44.11 H new ATOM 0 HD11 ILE A 80 -4.881 -6.076 -1.830 1.00 42.45 H new ATOM 0 HD12 ILE A 80 -4.068 -4.666 -2.550 1.00 42.45 H new ATOM 0 HD13 ILE A 80 -4.525 -6.048 -3.574 1.00 42.45 H new ATOM 1257 N ASN A 81 -1.045 -4.827 -6.446 1.00 43.14 N ATOM 1258 CA ASN A 81 0.045 -4.258 -7.242 1.00 13.31 C ATOM 1259 C ASN A 81 0.815 -3.323 -6.315 1.00 31.44 C ATOM 1260 O ASN A 81 0.218 -2.726 -5.415 1.00 12.32 O ATOM 1261 CB ASN A 81 -0.509 -3.427 -8.416 1.00 42.35 C ATOM 1262 CG ASN A 81 -0.653 -4.069 -9.784 1.00 31.13 C ATOM 1263 OD1 ASN A 81 -1.130 -3.406 -10.698 1.00 30.24 O ATOM 1264 ND2 ASN A 81 -0.316 -5.328 -9.969 1.00 25.24 N ATOM 0 H ASN A 81 -1.866 -4.223 -6.401 1.00 43.14 H new ATOM 0 HA ASN A 81 0.669 -5.054 -7.648 1.00 13.31 H new ATOM 0 HB2 ASN A 81 -1.493 -3.061 -8.122 1.00 42.35 H new ATOM 0 HB3 ASN A 81 0.134 -2.555 -8.531 1.00 42.35 H new ATOM 0 HD21 ASN A 81 -0.451 -5.763 -10.882 1.00 25.24 H new ATOM 0 HD22 ASN A 81 0.080 -5.868 -9.200 1.00 25.24 H new ATOM 1271 N VAL A 82 2.102 -3.133 -6.577 1.00 62.40 N ATOM 1272 CA VAL A 82 3.000 -2.274 -5.816 1.00 34.11 C ATOM 1273 C VAL A 82 3.593 -1.276 -6.805 1.00 71.34 C ATOM 1274 O VAL A 82 3.908 -1.645 -7.938 1.00 3.13 O ATOM 1275 CB VAL A 82 4.110 -3.112 -5.138 1.00 25.21 C ATOM 1276 CG1 VAL A 82 4.891 -2.274 -4.118 1.00 23.02 C ATOM 1277 CG2 VAL A 82 3.568 -4.355 -4.415 1.00 31.20 C ATOM 0 H VAL A 82 2.568 -3.593 -7.359 1.00 62.40 H new ATOM 0 HA VAL A 82 2.467 -1.755 -5.019 1.00 34.11 H new ATOM 0 HB VAL A 82 4.762 -3.437 -5.949 1.00 25.21 H new ATOM 0 HG11 VAL A 82 5.664 -2.889 -3.658 1.00 23.02 H new ATOM 0 HG12 VAL A 82 5.354 -1.426 -4.622 1.00 23.02 H new ATOM 0 HG13 VAL A 82 4.210 -1.911 -3.348 1.00 23.02 H new ATOM 0 HG21 VAL A 82 4.395 -4.901 -3.960 1.00 31.20 H new ATOM 0 HG22 VAL A 82 2.866 -4.048 -3.640 1.00 31.20 H new ATOM 0 HG23 VAL A 82 3.059 -4.999 -5.131 1.00 31.20 H new ATOM 1287 N GLU A 83 3.815 -0.042 -6.376 1.00 25.34 N ATOM 1288 CA GLU A 83 4.499 1.000 -7.118 1.00 54.43 C ATOM 1289 C GLU A 83 5.362 1.803 -6.161 1.00 64.22 C ATOM 1290 O GLU A 83 5.202 1.759 -4.943 1.00 22.31 O ATOM 1291 CB GLU A 83 3.459 1.937 -7.750 1.00 33.22 C ATOM 1292 CG GLU A 83 3.107 1.609 -9.193 1.00 5.22 C ATOM 1293 CD GLU A 83 3.991 2.382 -10.168 1.00 43.44 C ATOM 1294 OE1 GLU A 83 5.214 2.128 -10.248 1.00 51.30 O ATOM 1295 OE2 GLU A 83 3.455 3.293 -10.846 1.00 10.55 O ATOM 0 H GLU A 83 3.507 0.272 -5.456 1.00 25.34 H new ATOM 0 HA GLU A 83 5.117 0.552 -7.896 1.00 54.43 H new ATOM 0 HB2 GLU A 83 2.549 1.905 -7.151 1.00 33.22 H new ATOM 0 HB3 GLU A 83 3.835 2.959 -7.705 1.00 33.22 H new ATOM 0 HG2 GLU A 83 3.223 0.539 -9.364 1.00 5.22 H new ATOM 0 HG3 GLU A 83 2.060 1.850 -9.378 1.00 5.22 H new ATOM 1302 N PHE A 84 6.228 2.613 -6.746 1.00 5.22 N ATOM 1303 CA PHE A 84 7.174 3.466 -6.040 1.00 32.34 C ATOM 1304 C PHE A 84 7.036 4.909 -6.518 1.00 72.03 C ATOM 1305 O PHE A 84 7.587 5.291 -7.552 1.00 4.34 O ATOM 1306 CB PHE A 84 8.575 2.889 -6.245 1.00 65.04 C ATOM 1307 CG PHE A 84 9.706 3.529 -5.461 1.00 65.01 C ATOM 1308 CD1 PHE A 84 9.551 3.910 -4.110 1.00 24.32 C ATOM 1309 CD2 PHE A 84 10.971 3.631 -6.070 1.00 12.55 C ATOM 1310 CE1 PHE A 84 10.655 4.392 -3.383 1.00 33.24 C ATOM 1311 CE2 PHE A 84 12.077 4.083 -5.335 1.00 70.20 C ATOM 1312 CZ PHE A 84 11.916 4.469 -3.995 1.00 3.51 C ATOM 0 H PHE A 84 6.296 2.699 -7.760 1.00 5.22 H new ATOM 0 HA PHE A 84 6.971 3.486 -4.969 1.00 32.34 H new ATOM 0 HB2 PHE A 84 8.545 1.829 -5.992 1.00 65.04 H new ATOM 0 HB3 PHE A 84 8.817 2.957 -7.306 1.00 65.04 H new ATOM 0 HD1 PHE A 84 8.584 3.831 -3.635 1.00 24.32 H new ATOM 0 HD2 PHE A 84 11.091 3.360 -7.109 1.00 12.55 H new ATOM 0 HE1 PHE A 84 10.532 4.702 -2.356 1.00 33.24 H new ATOM 0 HE2 PHE A 84 13.051 4.134 -5.799 1.00 70.20 H new ATOM 0 HZ PHE A 84 12.766 4.827 -3.433 1.00 3.51 H new ATOM 1322 N ALA A 85 6.255 5.721 -5.804 1.00 42.14 N ATOM 1323 CA ALA A 85 6.203 7.163 -5.998 1.00 2.32 C ATOM 1324 C ALA A 85 7.403 7.788 -5.294 1.00 23.01 C ATOM 1325 O ALA A 85 7.322 8.298 -4.177 1.00 32.05 O ATOM 1326 CB ALA A 85 4.871 7.728 -5.512 1.00 25.05 C ATOM 0 H ALA A 85 5.635 5.387 -5.066 1.00 42.14 H new ATOM 0 HA ALA A 85 6.261 7.407 -7.059 1.00 2.32 H new ATOM 0 HB1 ALA A 85 4.855 8.807 -5.667 1.00 25.05 H new ATOM 0 HB2 ALA A 85 4.055 7.269 -6.071 1.00 25.05 H new ATOM 0 HB3 ALA A 85 4.750 7.512 -4.450 1.00 25.05 H new ATOM 1332 N LYS A 86 8.546 7.708 -5.961 1.00 3.14 N ATOM 1333 CA LYS A 86 9.774 8.360 -5.566 1.00 74.22 C ATOM 1334 C LYS A 86 9.871 9.689 -6.300 1.00 33.22 C ATOM 1335 O LYS A 86 10.406 9.758 -7.408 1.00 11.52 O ATOM 1336 CB LYS A 86 10.929 7.400 -5.864 1.00 41.14 C ATOM 1337 CG LYS A 86 12.310 7.921 -5.482 1.00 5.12 C ATOM 1338 CD LYS A 86 12.372 8.318 -4.008 1.00 33.34 C ATOM 1339 CE LYS A 86 13.806 8.438 -3.494 1.00 64.43 C ATOM 1340 NZ LYS A 86 14.317 7.175 -2.927 1.00 23.35 N ATOM 0 H LYS A 86 8.641 7.167 -6.821 1.00 3.14 H new ATOM 0 HA LYS A 86 9.809 8.589 -4.501 1.00 74.22 H new ATOM 0 HB2 LYS A 86 10.750 6.464 -5.335 1.00 41.14 H new ATOM 0 HB3 LYS A 86 10.925 7.169 -6.929 1.00 41.14 H new ATOM 0 HG2 LYS A 86 13.058 7.154 -5.685 1.00 5.12 H new ATOM 0 HG3 LYS A 86 12.559 8.782 -6.102 1.00 5.12 H new ATOM 0 HD2 LYS A 86 11.859 9.270 -3.870 1.00 33.34 H new ATOM 0 HD3 LYS A 86 11.837 7.578 -3.413 1.00 33.34 H new ATOM 0 HE2 LYS A 86 14.455 8.753 -4.311 1.00 64.43 H new ATOM 0 HE3 LYS A 86 13.851 9.217 -2.733 1.00 64.43 H new ATOM 0 HZ1 LYS A 86 15.212 7.355 -2.429 1.00 23.35 H new ATOM 0 HZ2 LYS A 86 13.621 6.788 -2.258 1.00 23.35 H new ATOM 0 HZ3 LYS A 86 14.479 6.491 -3.693 1.00 23.35 H new ATOM 1354 N GLY A 87 9.359 10.757 -5.698 1.00 53.41 N ATOM 1355 CA GLY A 87 9.618 12.112 -6.154 1.00 32.24 C ATOM 1356 C GLY A 87 11.049 12.498 -5.806 1.00 3.15 C ATOM 1357 O GLY A 87 11.280 13.203 -4.824 1.00 53.51 O ATOM 0 H GLY A 87 8.753 10.704 -4.880 1.00 53.41 H new ATOM 0 HA2 GLY A 87 9.463 12.181 -7.231 1.00 32.24 H new ATOM 0 HA3 GLY A 87 8.919 12.805 -5.686 1.00 32.24 H new ATOM 1361 N SER A 88 12.029 11.989 -6.550 1.00 12.15 N ATOM 1362 CA SER A 88 13.323 12.643 -6.691 1.00 44.42 C ATOM 1363 C SER A 88 13.236 13.631 -7.849 1.00 50.10 C ATOM 1364 O SER A 88 12.146 13.781 -8.445 1.00 64.00 O ATOM 1365 CB SER A 88 14.427 11.618 -6.888 1.00 34.14 C ATOM 1366 OG SER A 88 14.570 10.815 -5.722 1.00 23.21 O ATOM 0 H SER A 88 11.947 11.115 -7.069 1.00 12.15 H new ATOM 0 HA SER A 88 13.574 13.189 -5.782 1.00 44.42 H new ATOM 0 HB2 SER A 88 14.197 10.987 -7.746 1.00 34.14 H new ATOM 0 HB3 SER A 88 15.367 12.124 -7.107 1.00 34.14 H new ATOM 0 HG SER A 88 15.283 10.158 -5.863 1.00 23.21 H new TER 1372 SER A 88