USER MOD reduce.3.24.130724 H: found=0, std=0, add=909, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 909 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 10 ASN : amide:sc= -9.02! C(o=-9.6!,f=-18!) USER MOD Set 1.2: A 62 GLN : amide:sc= -0.568 K(o=-9.6,f=-18!) USER MOD Set 2.1: A 59 THR OG1 : rot -162:sc= 0.838 USER MOD Set 2.2: A 61 ASN : amide:sc= -6.02! C(o=-5.2!,f=-11!) USER MOD Single : A 1 GLU N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 LYS NZ :NH3+ 145:sc= -0.126 (180deg=-1.05) USER MOD Single : A 4 TYR OH : rot 180:sc= 0 USER MOD Single : A 5 THR OG1 : rot 180:sc= 0.0498 USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 TYR OH : rot -77:sc= 1.46 USER MOD Single : A 12 ASN : amide:sc= -6.92! C(o=-6.9!,f=-7.8!) USER MOD Single : A 19 ASN : amide:sc= -5.62! K(o=-5.6!,f=-2.4) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 TYR OH : rot -0:sc= -6.78! USER MOD Single : A 28 ASN : amide:sc= -0.271 K(o=-0.27,f=-2.8!) USER MOD Single : A 31 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 SER OG : rot 66:sc= -0.0668! USER MOD Single : A 41 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0537) USER MOD Single : A 44 LYS NZ :NH3+ -155:sc= -1.29 (180deg=-3.65!) USER MOD Single : A 46 HIS : no HD1:sc= -1.61 K(o=-1.6,f=-0.21) USER MOD Single : A 48 GLN : amide:sc= -0.991 K(o=-0.99,f=0) USER MOD Single : A 53 ASN : amide:sc= -0.923 K(o=-0.92,f=-0.3) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 LYS NZ :NH3+ -132:sc= -0.508 (180deg=-1.59!) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 TYR OH : rot 132:sc= -0.976 USER MOD Single : A 72 HIS : no HD1:sc= -6.29! C(o=-6.3!,f=-5.9!) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 ASN : amide:sc= -5.32! C(o=-5.3!,f=-3.1!) USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 LYS NZ :NH3+ 145:sc= -1.24 (180deg=-2.8!) USER MOD Single : A 88 TYR OH : rot -41:sc= -0.177 USER MOD Single : A 91 THR OG1 : rot -107:sc= -0.305 USER MOD Single : A 93 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 TYR OH : rot 30:sc= -1.25 USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= -0.0051 (180deg=-0.0051) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 1 -19.413 -3.922 17.647 1.00 0.00 N ATOM 2 CA GLU A 1 -18.572 -3.004 18.456 1.00 0.00 C ATOM 3 C GLU A 1 -17.717 -2.112 17.565 1.00 0.00 C ATOM 4 O GLU A 1 -16.721 -2.554 16.997 1.00 0.00 O ATOM 5 CB GLU A 1 -17.686 -3.845 19.374 1.00 0.00 C ATOM 6 CG GLU A 1 -17.420 -3.201 20.726 1.00 0.00 C ATOM 7 CD GLU A 1 -16.047 -3.520 21.267 1.00 0.00 C ATOM 8 OE1 GLU A 1 -15.824 -4.685 21.661 1.00 0.00 O ATOM 9 OE2 GLU A 1 -15.192 -2.608 21.307 1.00 0.00 O ATOM 0 H1 GLU A 1 -19.985 -4.517 18.280 1.00 0.00 H new ATOM 0 H2 GLU A 1 -20.042 -3.366 17.033 1.00 0.00 H new ATOM 0 H3 GLU A 1 -18.802 -4.526 17.061 1.00 0.00 H new ATOM 0 HA GLU A 1 -19.215 -2.352 19.048 1.00 0.00 H new ATOM 0 HB2 GLU A 1 -18.158 -4.815 19.530 1.00 0.00 H new ATOM 0 HB3 GLU A 1 -16.734 -4.030 18.876 1.00 0.00 H new ATOM 0 HG2 GLU A 1 -17.528 -2.120 20.636 1.00 0.00 H new ATOM 0 HG3 GLU A 1 -18.173 -3.538 21.438 1.00 0.00 H new ATOM 18 N ASP A 2 -18.115 -0.847 17.445 1.00 0.00 N ATOM 19 CA ASP A 2 -17.384 0.070 16.622 1.00 0.00 C ATOM 20 C ASP A 2 -17.338 -0.351 15.165 1.00 0.00 C ATOM 21 O ASP A 2 -16.536 -1.205 14.798 1.00 0.00 O ATOM 22 CB ASP A 2 -15.963 0.237 17.154 1.00 0.00 C ATOM 23 CG ASP A 2 -15.940 0.700 18.590 1.00 0.00 C ATOM 24 OD1 ASP A 2 -15.997 1.918 18.805 1.00 0.00 O ATOM 25 OD2 ASP A 2 -15.858 -0.103 19.509 1.00 0.00 O ATOM 0 H ASP A 2 -18.933 -0.452 17.908 1.00 0.00 H new ATOM 0 HA ASP A 2 -17.915 1.021 16.666 1.00 0.00 H new ATOM 0 HB2 ASP A 2 -15.433 -0.712 17.072 1.00 0.00 H new ATOM 0 HB3 ASP A 2 -15.427 0.956 16.534 1.00 0.00 H new ATOM 30 N LYS A 3 -18.201 0.182 14.348 1.00 0.00 N ATOM 31 CA LYS A 3 -18.263 -0.117 12.920 1.00 0.00 C ATOM 32 C LYS A 3 -18.347 1.061 12.065 1.00 0.00 C ATOM 33 O LYS A 3 -18.560 2.157 12.569 1.00 0.00 O ATOM 34 CB LYS A 3 -19.469 -1.015 12.653 1.00 0.00 C ATOM 35 CG LYS A 3 -19.176 -2.493 12.839 1.00 0.00 C ATOM 36 CD LYS A 3 -20.122 -3.358 12.010 1.00 0.00 C ATOM 37 CE LYS A 3 -21.526 -3.354 12.589 1.00 0.00 C ATOM 38 NZ LYS A 3 -22.327 -2.191 12.112 1.00 0.00 N ATOM 0 H LYS A 3 -18.905 0.855 14.651 1.00 0.00 H new ATOM 0 HA LYS A 3 -17.325 -0.612 12.668 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -20.281 -0.727 13.320 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -19.819 -0.847 11.634 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -18.145 -2.700 12.551 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -19.271 -2.754 13.893 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -20.149 -2.991 10.984 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -19.745 -4.380 11.973 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -22.033 -4.279 12.315 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -21.469 -3.332 13.677 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -23.321 -2.477 11.999 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -22.266 -1.419 12.806 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -21.955 -1.865 11.197 1.00 0.00 H new ATOM 52 N TYR A 4 -18.177 0.889 10.753 1.00 0.00 N ATOM 53 CA TYR A 4 -18.226 1.991 9.825 1.00 0.00 C ATOM 54 C TYR A 4 -19.255 1.722 8.729 1.00 0.00 C ATOM 55 O TYR A 4 -20.151 0.908 8.902 1.00 0.00 O ATOM 56 CB TYR A 4 -16.839 2.229 9.214 1.00 0.00 C ATOM 57 CG TYR A 4 -16.402 1.137 8.260 1.00 0.00 C ATOM 58 CD1 TYR A 4 -16.011 -0.050 8.735 1.00 0.00 C ATOM 59 CD2 TYR A 4 -16.371 1.354 6.891 1.00 0.00 C ATOM 60 CE1 TYR A 4 -15.607 -1.022 7.866 1.00 0.00 C ATOM 61 CE2 TYR A 4 -15.970 0.371 6.016 1.00 0.00 C ATOM 62 CZ TYR A 4 -15.590 -0.784 6.510 1.00 0.00 C ATOM 63 OH TYR A 4 -15.183 -1.778 5.647 1.00 0.00 O ATOM 0 H TYR A 4 -18.003 -0.017 10.318 1.00 0.00 H new ATOM 0 HA TYR A 4 -18.528 2.889 10.365 1.00 0.00 H new ATOM 0 HB2 TYR A 4 -16.843 3.182 8.685 1.00 0.00 H new ATOM 0 HB3 TYR A 4 -16.107 2.313 10.017 1.00 0.00 H new ATOM 0 HD1 TYR A 4 -16.015 -0.238 9.798 1.00 0.00 H new ATOM 0 HD2 TYR A 4 -16.668 2.317 6.503 1.00 0.00 H new ATOM 0 HE1 TYR A 4 -15.298 -1.985 8.245 1.00 0.00 H new ATOM 0 HE2 TYR A 4 -15.968 0.545 4.950 1.00 0.00 H new ATOM 0 HH TYR A 4 -15.230 -1.450 4.725 1.00 0.00 H new ATOM 73 N THR A 5 -19.131 2.431 7.607 1.00 0.00 N ATOM 74 CA THR A 5 -20.051 2.261 6.489 1.00 0.00 C ATOM 75 C THR A 5 -19.485 1.304 5.454 1.00 0.00 C ATOM 76 O THR A 5 -18.368 1.495 4.959 1.00 0.00 O ATOM 77 CB THR A 5 -20.346 3.613 5.847 1.00 0.00 C ATOM 78 OG1 THR A 5 -19.362 4.564 6.188 1.00 0.00 O ATOM 79 CG2 THR A 5 -21.689 4.189 6.248 1.00 0.00 C ATOM 0 H THR A 5 -18.402 3.127 7.451 1.00 0.00 H new ATOM 0 HA THR A 5 -20.978 1.834 6.873 1.00 0.00 H new ATOM 0 HB THR A 5 -20.352 3.419 4.775 1.00 0.00 H new ATOM 0 HG1 THR A 5 -19.574 5.421 5.762 1.00 0.00 H new ATOM 0 HG21 THR A 5 -21.834 5.151 5.756 1.00 0.00 H new ATOM 0 HG22 THR A 5 -22.483 3.504 5.948 1.00 0.00 H new ATOM 0 HG23 THR A 5 -21.718 4.327 7.329 1.00 0.00 H new ATOM 87 N ASP A 6 -20.252 0.279 5.130 1.00 0.00 N ATOM 88 CA ASP A 6 -19.820 -0.641 4.144 1.00 0.00 C ATOM 89 C ASP A 6 -19.604 -0.027 2.780 1.00 0.00 C ATOM 90 O ASP A 6 -20.560 0.354 2.128 1.00 0.00 O ATOM 91 CB ASP A 6 -20.852 -1.764 4.040 1.00 0.00 C ATOM 92 CG ASP A 6 -22.267 -1.237 3.891 1.00 0.00 C ATOM 93 OD1 ASP A 6 -22.800 -0.687 4.876 1.00 0.00 O ATOM 94 OD2 ASP A 6 -22.833 -1.373 2.789 1.00 0.00 O ATOM 0 H ASP A 6 -21.164 0.080 5.541 1.00 0.00 H new ATOM 0 HA ASP A 6 -18.847 -1.015 4.463 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -20.611 -2.397 3.186 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -20.793 -2.392 4.929 1.00 0.00 H new ATOM 99 N LYS A 7 -18.348 0.013 2.356 1.00 0.00 N ATOM 100 CA LYS A 7 -18.014 0.587 1.064 1.00 0.00 C ATOM 101 C LYS A 7 -16.770 -0.025 0.470 1.00 0.00 C ATOM 102 O LYS A 7 -16.870 -1.003 -0.158 1.00 0.00 O ATOM 103 CB LYS A 7 -17.800 2.091 1.217 1.00 0.00 C ATOM 104 CG LYS A 7 -19.100 2.887 1.205 1.00 0.00 C ATOM 105 CD LYS A 7 -18.846 4.347 1.530 1.00 0.00 C ATOM 106 CE LYS A 7 -18.747 5.187 0.272 1.00 0.00 C ATOM 107 NZ LYS A 7 -20.047 5.809 -0.021 1.00 0.00 N ATOM 0 H LYS A 7 -17.551 -0.342 2.884 1.00 0.00 H new ATOM 0 HA LYS A 7 -18.845 0.379 0.390 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -17.273 2.283 2.151 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -17.158 2.444 0.410 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -19.572 2.805 0.226 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -19.796 2.465 1.930 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -19.651 4.726 2.159 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -17.923 4.438 2.103 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -17.986 5.957 0.398 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -18.435 4.565 -0.567 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -19.970 6.383 -0.885 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -20.763 5.068 -0.160 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -20.328 6.417 0.775 1.00 0.00 H new ATOM 121 N TYR A 8 -15.614 0.497 0.756 1.00 0.00 N ATOM 122 CA TYR A 8 -14.348 -0.001 0.273 1.00 0.00 C ATOM 123 C TYR A 8 -14.154 -1.397 0.685 1.00 0.00 C ATOM 124 O TYR A 8 -13.671 -1.672 1.781 1.00 0.00 O ATOM 125 CB TYR A 8 -13.181 0.836 0.749 1.00 0.00 C ATOM 126 CG TYR A 8 -13.294 1.250 2.197 1.00 0.00 C ATOM 127 CD1 TYR A 8 -12.807 0.456 3.218 1.00 0.00 C ATOM 128 CD2 TYR A 8 -13.896 2.459 2.542 1.00 0.00 C ATOM 129 CE1 TYR A 8 -12.900 0.841 4.543 1.00 0.00 C ATOM 130 CE2 TYR A 8 -13.992 2.847 3.869 1.00 0.00 C ATOM 131 CZ TYR A 8 -13.501 2.031 4.858 1.00 0.00 C ATOM 132 OH TYR A 8 -13.603 2.418 6.173 1.00 0.00 O ATOM 0 H TYR A 8 -15.517 1.316 1.357 1.00 0.00 H new ATOM 0 HA TYR A 8 -14.379 0.060 -0.815 1.00 0.00 H new ATOM 0 HB2 TYR A 8 -12.258 0.273 0.610 1.00 0.00 H new ATOM 0 HB3 TYR A 8 -13.106 1.729 0.128 1.00 0.00 H new ATOM 0 HD1 TYR A 8 -12.342 -0.488 2.975 1.00 0.00 H new ATOM 0 HD2 TYR A 8 -14.291 3.100 1.768 1.00 0.00 H new ATOM 0 HE1 TYR A 8 -12.502 0.209 5.323 1.00 0.00 H new ATOM 0 HE2 TYR A 8 -14.452 3.790 4.125 1.00 0.00 H new ATOM 0 HH TYR A 8 -14.328 1.920 6.605 1.00 0.00 H new ATOM 142 N ASP A 9 -14.520 -2.330 -0.112 1.00 0.00 N ATOM 143 CA ASP A 9 -14.385 -3.746 0.121 1.00 0.00 C ATOM 144 C ASP A 9 -12.919 -4.135 0.275 1.00 0.00 C ATOM 145 O ASP A 9 -12.296 -4.644 -0.594 1.00 0.00 O ATOM 146 CB ASP A 9 -15.027 -4.576 -0.947 1.00 0.00 C ATOM 147 CG ASP A 9 -15.717 -5.816 -0.421 1.00 0.00 C ATOM 148 OD1 ASP A 9 -16.774 -5.678 0.188 1.00 0.00 O ATOM 149 OD2 ASP A 9 -15.208 -6.934 -0.660 1.00 0.00 O ATOM 0 H ASP A 9 -14.954 -2.126 -1.012 1.00 0.00 H new ATOM 0 HA ASP A 9 -14.913 -3.954 1.052 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -15.755 -3.965 -1.481 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -14.267 -4.873 -1.670 1.00 0.00 H new ATOM 154 N ASN A 10 -12.374 -3.889 1.436 1.00 0.00 N ATOM 155 CA ASN A 10 -10.984 -4.212 1.727 1.00 0.00 C ATOM 156 C ASN A 10 -10.805 -4.584 3.192 1.00 0.00 C ATOM 157 O ASN A 10 -11.778 -4.777 3.917 1.00 0.00 O ATOM 158 CB ASN A 10 -10.080 -3.021 1.376 1.00 0.00 C ATOM 159 CG ASN A 10 -8.767 -3.456 0.749 1.00 0.00 C ATOM 160 OD1 ASN A 10 -8.048 -4.287 1.302 1.00 0.00 O ATOM 161 ND2 ASN A 10 -8.464 -2.902 -0.333 1.00 0.00 N ATOM 0 H ASN A 10 -12.873 -3.459 2.214 1.00 0.00 H new ATOM 0 HA ASN A 10 -10.701 -5.070 1.118 1.00 0.00 H new ATOM 0 HB2 ASN A 10 -10.606 -2.359 0.688 1.00 0.00 H new ATOM 0 HB3 ASN A 10 -9.875 -2.445 2.279 1.00 0.00 H new ATOM 0 HD21 ASN A 10 -7.585 -3.134 -0.796 1.00 0.00 H new ATOM 0 HD22 ASN A 10 -9.096 -2.219 -0.751 1.00 0.00 H new ATOM 168 N ILE A 11 -9.552 -4.685 3.631 1.00 0.00 N ATOM 169 CA ILE A 11 -9.254 -5.036 5.005 1.00 0.00 C ATOM 170 C ILE A 11 -9.131 -3.794 5.879 1.00 0.00 C ATOM 171 O ILE A 11 -8.026 -3.327 6.176 1.00 0.00 O ATOM 172 CB ILE A 11 -7.963 -5.853 5.124 1.00 0.00 C ATOM 173 CG1 ILE A 11 -7.860 -6.865 3.985 1.00 0.00 C ATOM 174 CG2 ILE A 11 -7.906 -6.554 6.471 1.00 0.00 C ATOM 175 CD1 ILE A 11 -6.985 -6.394 2.838 1.00 0.00 C ATOM 0 H ILE A 11 -8.730 -4.527 3.048 1.00 0.00 H new ATOM 0 HA ILE A 11 -10.089 -5.646 5.350 1.00 0.00 H new ATOM 0 HB ILE A 11 -7.114 -5.173 5.052 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -7.461 -7.801 4.376 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -8.860 -7.078 3.606 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -6.984 -7.131 6.542 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -7.932 -5.812 7.269 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -8.761 -7.223 6.569 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -6.956 -7.161 2.064 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -7.395 -5.474 2.422 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -5.975 -6.209 3.203 1.00 0.00 H new ATOM 187 N ASN A 12 -10.275 -3.262 6.298 1.00 0.00 N ATOM 188 CA ASN A 12 -10.324 -2.067 7.141 1.00 0.00 C ATOM 189 C ASN A 12 -9.302 -1.018 6.715 1.00 0.00 C ATOM 190 O ASN A 12 -8.839 -0.223 7.527 1.00 0.00 O ATOM 191 CB ASN A 12 -10.089 -2.456 8.607 1.00 0.00 C ATOM 192 CG ASN A 12 -10.636 -1.422 9.572 1.00 0.00 C ATOM 193 OD1 ASN A 12 -11.578 -0.695 9.258 1.00 0.00 O ATOM 194 ND2 ASN A 12 -10.048 -1.347 10.765 1.00 0.00 N ATOM 0 H ASN A 12 -11.192 -3.643 6.065 1.00 0.00 H new ATOM 0 HA ASN A 12 -11.314 -1.625 7.026 1.00 0.00 H new ATOM 0 HB2 ASN A 12 -10.560 -3.419 8.805 1.00 0.00 H new ATOM 0 HB3 ASN A 12 -9.020 -2.582 8.780 1.00 0.00 H new ATOM 0 HD21 ASN A 12 -10.376 -0.670 11.454 1.00 0.00 H new ATOM 0 HD22 ASN A 12 -9.269 -1.966 10.990 1.00 0.00 H new ATOM 201 N LEU A 13 -8.970 -1.013 5.429 1.00 0.00 N ATOM 202 CA LEU A 13 -8.008 -0.075 4.850 1.00 0.00 C ATOM 203 C LEU A 13 -8.015 1.218 5.523 1.00 0.00 C ATOM 204 O LEU A 13 -7.018 1.935 5.481 1.00 0.00 O ATOM 205 CB LEU A 13 -8.297 0.035 3.356 1.00 0.00 C ATOM 206 CG LEU A 13 -7.078 -0.007 2.464 1.00 0.00 C ATOM 207 CD1 LEU A 13 -6.795 -1.415 2.034 1.00 0.00 C ATOM 208 CD2 LEU A 13 -7.243 0.837 1.248 1.00 0.00 C ATOM 0 H LEU A 13 -9.363 -1.665 4.750 1.00 0.00 H new ATOM 0 HA LEU A 13 -6.996 -0.453 4.995 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -8.966 -0.777 3.070 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -8.831 0.967 3.172 1.00 0.00 H new ATOM 0 HG LEU A 13 -6.247 0.386 3.049 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -5.914 -1.429 1.392 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -6.614 -2.034 2.913 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -7.651 -1.807 1.484 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -6.342 0.775 0.637 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -8.097 0.482 0.672 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -7.411 1.873 1.544 1.00 0.00 H new ATOM 220 N ASP A 14 -9.124 1.569 6.144 1.00 0.00 N ATOM 221 CA ASP A 14 -9.256 2.827 6.824 1.00 0.00 C ATOM 222 C ASP A 14 -8.263 2.918 7.975 1.00 0.00 C ATOM 223 O ASP A 14 -7.464 3.851 8.050 1.00 0.00 O ATOM 224 CB ASP A 14 -10.678 2.961 7.339 1.00 0.00 C ATOM 225 CG ASP A 14 -11.219 1.691 7.969 1.00 0.00 C ATOM 226 OD1 ASP A 14 -11.346 0.684 7.250 1.00 0.00 O ATOM 227 OD2 ASP A 14 -11.491 1.706 9.185 1.00 0.00 O ATOM 0 H ASP A 14 -9.957 0.982 6.187 1.00 0.00 H new ATOM 0 HA ASP A 14 -9.041 3.640 6.130 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -10.715 3.765 8.074 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -11.328 3.253 6.514 1.00 0.00 H new ATOM 232 N GLU A 15 -8.343 1.940 8.870 1.00 0.00 N ATOM 233 CA GLU A 15 -7.465 1.887 10.030 1.00 0.00 C ATOM 234 C GLU A 15 -6.006 2.087 9.648 1.00 0.00 C ATOM 235 O GLU A 15 -5.233 2.682 10.414 1.00 0.00 O ATOM 236 CB GLU A 15 -7.636 0.562 10.765 1.00 0.00 C ATOM 237 CG GLU A 15 -7.239 -0.576 9.950 1.00 0.00 C ATOM 238 CD GLU A 15 -6.587 -1.665 10.787 1.00 0.00 C ATOM 239 OE1 GLU A 15 -7.107 -1.952 11.878 1.00 0.00 O ATOM 240 OE2 GLU A 15 -5.557 -2.213 10.346 1.00 0.00 O ATOM 0 H GLU A 15 -9.010 1.171 8.813 1.00 0.00 H new ATOM 0 HA GLU A 15 -7.750 2.706 10.691 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -7.042 0.577 11.679 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -8.678 0.446 11.064 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -8.113 -0.982 9.441 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -6.545 -0.246 9.177 1.00 0.00 H new ATOM 247 N ILE A 16 -5.609 1.598 8.474 1.00 0.00 N ATOM 248 CA ILE A 16 -4.227 1.750 8.036 1.00 0.00 C ATOM 249 C ILE A 16 -3.927 3.195 7.662 1.00 0.00 C ATOM 250 O ILE A 16 -2.817 3.677 7.865 1.00 0.00 O ATOM 251 CB ILE A 16 -3.888 0.845 6.835 1.00 0.00 C ATOM 252 CG1 ILE A 16 -4.333 -0.510 7.116 1.00 0.00 C ATOM 253 CG2 ILE A 16 -2.401 0.901 6.535 1.00 0.00 C ATOM 254 CD1 ILE A 16 -4.552 -1.330 5.862 1.00 0.00 C ATOM 0 H ILE A 16 -6.215 1.102 7.820 1.00 0.00 H new ATOM 0 HA ILE A 16 -3.607 1.449 8.881 1.00 0.00 H new ATOM 0 HB ILE A 16 -4.409 1.199 5.945 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -3.594 -1.007 7.744 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -5.262 -0.471 7.686 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -2.177 0.257 5.685 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -2.116 1.926 6.299 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -1.841 0.560 7.406 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -4.883 -2.332 6.136 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -5.312 -0.853 5.243 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -3.619 -1.397 5.303 1.00 0.00 H new ATOM 266 N LEU A 17 -4.928 3.883 7.126 1.00 0.00 N ATOM 267 CA LEU A 17 -4.771 5.277 6.741 1.00 0.00 C ATOM 268 C LEU A 17 -5.190 6.205 7.880 1.00 0.00 C ATOM 269 O LEU A 17 -5.150 7.426 7.746 1.00 0.00 O ATOM 270 CB LEU A 17 -5.604 5.561 5.478 1.00 0.00 C ATOM 271 CG LEU A 17 -5.818 7.043 5.151 1.00 0.00 C ATOM 272 CD1 LEU A 17 -4.495 7.784 5.097 1.00 0.00 C ATOM 273 CD2 LEU A 17 -6.574 7.195 3.837 1.00 0.00 C ATOM 0 H LEU A 17 -5.856 3.497 6.949 1.00 0.00 H new ATOM 0 HA LEU A 17 -3.720 5.466 6.525 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -5.116 5.085 4.627 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -6.579 5.087 5.592 1.00 0.00 H new ATOM 0 HG LEU A 17 -6.418 7.484 5.948 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -4.675 8.833 4.863 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -3.996 7.708 6.063 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -3.863 7.344 4.326 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -6.717 8.254 3.620 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -6.001 6.734 3.032 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -7.545 6.706 3.917 1.00 0.00 H new ATOM 285 N ALA A 18 -5.585 5.614 9.009 1.00 0.00 N ATOM 286 CA ALA A 18 -6.008 6.377 10.171 1.00 0.00 C ATOM 287 C ALA A 18 -4.921 7.353 10.609 1.00 0.00 C ATOM 288 O ALA A 18 -5.187 8.535 10.831 1.00 0.00 O ATOM 289 CB ALA A 18 -6.382 5.447 11.317 1.00 0.00 C ATOM 0 H ALA A 18 -5.619 4.603 9.137 1.00 0.00 H new ATOM 0 HA ALA A 18 -6.890 6.954 9.892 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -6.696 6.038 12.177 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -7.199 4.797 11.006 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -5.519 4.840 11.589 1.00 0.00 H new ATOM 295 N ASN A 19 -3.697 6.845 10.757 1.00 0.00 N ATOM 296 CA ASN A 19 -2.584 7.690 11.180 1.00 0.00 C ATOM 297 C ASN A 19 -1.234 7.106 10.777 1.00 0.00 C ATOM 298 O ASN A 19 -1.118 5.911 10.459 1.00 0.00 O ATOM 299 CB ASN A 19 -2.615 7.908 12.696 1.00 0.00 C ATOM 300 CG ASN A 19 -3.203 6.726 13.448 1.00 0.00 C ATOM 301 OD1 ASN A 19 -4.080 6.890 14.299 1.00 0.00 O ATOM 302 ND2 ASN A 19 -2.724 5.527 13.141 1.00 0.00 N ATOM 0 H ASN A 19 -3.455 5.868 10.593 1.00 0.00 H new ATOM 0 HA ASN A 19 -2.704 8.647 10.671 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -1.602 8.092 13.053 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -3.199 8.801 12.918 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -3.082 4.698 13.616 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -1.998 5.434 12.430 1.00 0.00 H new ATOM 309 N LYS A 20 -0.219 7.962 10.786 1.00 0.00 N ATOM 310 CA LYS A 20 1.057 7.559 10.421 1.00 0.00 C ATOM 311 C LYS A 20 1.512 6.375 11.281 1.00 0.00 C ATOM 312 O LYS A 20 2.115 5.438 10.778 1.00 0.00 O ATOM 313 CB LYS A 20 2.070 8.707 10.589 1.00 0.00 C ATOM 314 CG LYS A 20 1.443 10.095 10.641 1.00 0.00 C ATOM 315 CD LYS A 20 1.028 10.459 12.057 1.00 0.00 C ATOM 316 CE LYS A 20 1.966 11.480 12.673 1.00 0.00 C ATOM 317 NZ LYS A 20 1.635 11.758 14.096 1.00 0.00 N ATOM 0 H LYS A 20 -0.297 8.944 11.052 1.00 0.00 H new ATOM 0 HA LYS A 20 1.018 7.263 9.373 1.00 0.00 H new ATOM 0 HB2 LYS A 20 2.638 8.543 11.505 1.00 0.00 H new ATOM 0 HB3 LYS A 20 2.780 8.673 9.763 1.00 0.00 H new ATOM 0 HG2 LYS A 20 2.154 10.832 10.267 1.00 0.00 H new ATOM 0 HG3 LYS A 20 0.574 10.129 9.985 1.00 0.00 H new ATOM 0 HD2 LYS A 20 0.013 10.857 12.048 1.00 0.00 H new ATOM 0 HD3 LYS A 20 1.013 9.560 12.674 1.00 0.00 H new ATOM 0 HE2 LYS A 20 2.992 11.117 12.604 1.00 0.00 H new ATOM 0 HE3 LYS A 20 1.917 12.407 12.102 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 2.301 12.461 14.476 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 0.666 12.129 14.161 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 1.707 10.879 14.647 1.00 0.00 H new ATOM 331 N ARG A 21 1.216 6.437 12.570 1.00 0.00 N ATOM 332 CA ARG A 21 1.602 5.375 13.489 1.00 0.00 C ATOM 333 C ARG A 21 1.210 4.000 12.940 1.00 0.00 C ATOM 334 O ARG A 21 1.854 2.999 13.254 1.00 0.00 O ATOM 335 CB ARG A 21 0.971 5.594 14.860 1.00 0.00 C ATOM 336 CG ARG A 21 -0.449 5.804 14.810 1.00 0.00 C ATOM 337 CD ARG A 21 -1.005 6.204 16.166 1.00 0.00 C ATOM 338 NE ARG A 21 -2.356 5.690 16.383 1.00 0.00 N ATOM 339 CZ ARG A 21 -3.005 5.777 17.535 1.00 0.00 C ATOM 340 NH1 ARG A 21 -2.436 6.372 18.573 1.00 0.00 N ATOM 341 NH2 ARG A 21 -4.226 5.285 17.651 1.00 0.00 N ATOM 0 H ARG A 21 0.711 7.210 13.004 1.00 0.00 H new ATOM 0 HA ARG A 21 2.687 5.404 13.594 1.00 0.00 H new ATOM 0 HB2 ARG A 21 1.181 4.729 15.490 1.00 0.00 H new ATOM 0 HB3 ARG A 21 1.441 6.455 15.334 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -0.677 6.580 14.080 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -0.940 4.892 14.470 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -0.346 5.832 16.951 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -1.015 7.291 16.246 1.00 0.00 H new ATOM 0 HE ARG A 21 -2.828 5.237 15.600 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -1.498 6.763 18.486 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -2.936 6.439 19.460 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -4.673 4.836 16.852 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -4.721 5.354 18.540 1.00 0.00 H new ATOM 355 N LEU A 22 0.151 3.964 12.134 1.00 0.00 N ATOM 356 CA LEU A 22 -0.225 2.707 11.574 1.00 0.00 C ATOM 357 C LEU A 22 0.233 2.479 10.173 1.00 0.00 C ATOM 358 O LEU A 22 0.925 1.494 9.921 1.00 0.00 O ATOM 359 CB LEU A 22 -1.755 2.649 11.558 1.00 0.00 C ATOM 360 CG LEU A 22 -2.383 1.777 12.656 1.00 0.00 C ATOM 361 CD1 LEU A 22 -1.815 2.146 14.025 1.00 0.00 C ATOM 362 CD2 LEU A 22 -3.890 1.911 12.650 1.00 0.00 C ATOM 0 H LEU A 22 -0.428 4.763 11.874 1.00 0.00 H new ATOM 0 HA LEU A 22 0.249 1.943 12.190 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -2.143 3.663 11.654 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -2.079 2.274 10.587 1.00 0.00 H new ATOM 0 HG LEU A 22 -2.133 0.736 12.450 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -2.272 1.518 14.790 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -0.736 1.991 14.025 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -2.031 3.193 14.239 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -4.314 1.285 13.435 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -4.164 2.951 12.827 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -4.280 1.593 11.683 1.00 0.00 H new ATOM 374 N LEU A 23 0.003 3.392 9.249 1.00 0.00 N ATOM 375 CA LEU A 23 0.424 3.252 7.889 1.00 0.00 C ATOM 376 C LEU A 23 1.946 3.098 7.894 1.00 0.00 C ATOM 377 O LEU A 23 2.513 2.317 7.125 1.00 0.00 O ATOM 378 CB LEU A 23 0.023 4.460 7.033 1.00 0.00 C ATOM 379 CG LEU A 23 0.814 5.740 7.315 1.00 0.00 C ATOM 380 CD1 LEU A 23 2.092 5.766 6.494 1.00 0.00 C ATOM 381 CD2 LEU A 23 0.004 6.964 7.014 1.00 0.00 C ATOM 0 H LEU A 23 -0.492 4.264 9.437 1.00 0.00 H new ATOM 0 HA LEU A 23 -0.063 2.381 7.450 1.00 0.00 H new ATOM 0 HB2 LEU A 23 0.145 4.199 5.982 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -1.036 4.663 7.190 1.00 0.00 H new ATOM 0 HG LEU A 23 1.062 5.742 8.376 1.00 0.00 H new ATOM 0 HD11 LEU A 23 2.642 6.683 6.706 1.00 0.00 H new ATOM 0 HD12 LEU A 23 2.708 4.905 6.752 1.00 0.00 H new ATOM 0 HD13 LEU A 23 1.844 5.729 5.433 1.00 0.00 H new ATOM 0 HD21 LEU A 23 0.597 7.854 7.226 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -0.283 6.961 5.962 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -0.892 6.969 7.635 1.00 0.00 H new ATOM 393 N VAL A 24 2.577 3.840 8.792 1.00 0.00 N ATOM 394 CA VAL A 24 4.027 3.800 8.940 1.00 0.00 C ATOM 395 C VAL A 24 4.476 2.519 9.609 1.00 0.00 C ATOM 396 O VAL A 24 5.406 1.865 9.149 1.00 0.00 O ATOM 397 CB VAL A 24 4.558 5.002 9.747 1.00 0.00 C ATOM 398 CG1 VAL A 24 6.073 4.958 9.842 1.00 0.00 C ATOM 399 CG2 VAL A 24 4.090 6.314 9.126 1.00 0.00 C ATOM 0 H VAL A 24 2.107 4.480 9.432 1.00 0.00 H new ATOM 0 HA VAL A 24 4.439 3.846 7.932 1.00 0.00 H new ATOM 0 HB VAL A 24 4.155 4.942 10.758 1.00 0.00 H new ATOM 0 HG11 VAL A 24 6.427 5.815 10.415 1.00 0.00 H new ATOM 0 HG12 VAL A 24 6.380 4.038 10.339 1.00 0.00 H new ATOM 0 HG13 VAL A 24 6.501 4.990 8.840 1.00 0.00 H new ATOM 0 HG21 VAL A 24 4.475 7.150 9.710 1.00 0.00 H new ATOM 0 HG22 VAL A 24 4.460 6.385 8.103 1.00 0.00 H new ATOM 0 HG23 VAL A 24 3.000 6.346 9.121 1.00 0.00 H new ATOM 409 N ALA A 25 3.822 2.159 10.706 1.00 0.00 N ATOM 410 CA ALA A 25 4.178 0.948 11.420 1.00 0.00 C ATOM 411 C ALA A 25 4.126 -0.189 10.509 1.00 0.00 C ATOM 412 O ALA A 25 5.091 -0.945 10.418 1.00 0.00 O ATOM 413 CB ALA A 25 3.275 0.745 12.630 1.00 0.00 C ATOM 0 H ALA A 25 3.050 2.685 11.115 1.00 0.00 H new ATOM 0 HA ALA A 25 5.197 1.039 11.797 1.00 0.00 H new ATOM 0 HB1 ALA A 25 3.562 -0.170 13.149 1.00 0.00 H new ATOM 0 HB2 ALA A 25 3.377 1.593 13.307 1.00 0.00 H new ATOM 0 HB3 ALA A 25 2.239 0.666 12.301 1.00 0.00 H new ATOM 419 N TYR A 26 3.013 -0.354 9.812 1.00 0.00 N ATOM 420 CA TYR A 26 2.865 -1.471 8.891 1.00 0.00 C ATOM 421 C TYR A 26 3.874 -1.343 7.757 1.00 0.00 C ATOM 422 O TYR A 26 4.527 -2.316 7.374 1.00 0.00 O ATOM 423 CB TYR A 26 1.440 -1.523 8.336 1.00 0.00 C ATOM 424 CG TYR A 26 1.023 -2.899 7.828 1.00 0.00 C ATOM 425 CD1 TYR A 26 1.753 -3.542 6.837 1.00 0.00 C ATOM 426 CD2 TYR A 26 -0.021 -3.536 8.342 1.00 0.00 C ATOM 427 CE1 TYR A 26 1.370 -4.785 6.372 1.00 0.00 C ATOM 428 CE2 TYR A 26 -0.408 -4.776 7.884 1.00 0.00 C ATOM 429 CZ TYR A 26 0.253 -5.396 6.897 1.00 0.00 C ATOM 430 OH TYR A 26 -0.061 -6.635 6.429 1.00 0.00 O ATOM 0 H TYR A 26 2.204 0.266 9.865 1.00 0.00 H new ATOM 0 HA TYR A 26 3.055 -2.399 9.430 1.00 0.00 H new ATOM 0 HB2 TYR A 26 0.746 -1.209 9.115 1.00 0.00 H new ATOM 0 HB3 TYR A 26 1.352 -0.804 7.522 1.00 0.00 H new ATOM 0 HD1 TYR A 26 2.630 -3.065 6.425 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -0.581 -3.071 9.139 1.00 0.00 H new ATOM 0 HE1 TYR A 26 1.944 -5.276 5.600 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -1.264 -5.260 8.331 1.00 0.00 H new ATOM 0 HH TYR A 26 0.592 -6.903 5.750 1.00 0.00 H new ATOM 440 N VAL A 27 4.007 -0.128 7.233 1.00 0.00 N ATOM 441 CA VAL A 27 4.944 0.072 6.142 1.00 0.00 C ATOM 442 C VAL A 27 6.381 -0.109 6.601 1.00 0.00 C ATOM 443 O VAL A 27 7.191 -0.682 5.873 1.00 0.00 O ATOM 444 CB VAL A 27 4.796 1.480 5.598 1.00 0.00 C ATOM 445 CG1 VAL A 27 6.017 1.909 4.791 1.00 0.00 C ATOM 446 CG2 VAL A 27 3.542 1.590 4.739 1.00 0.00 C ATOM 0 H VAL A 27 3.497 0.702 7.534 1.00 0.00 H new ATOM 0 HA VAL A 27 4.720 -0.669 5.375 1.00 0.00 H new ATOM 0 HB VAL A 27 4.708 2.150 6.453 1.00 0.00 H new ATOM 0 HG11 VAL A 27 5.870 2.923 4.420 1.00 0.00 H new ATOM 0 HG12 VAL A 27 6.902 1.880 5.427 1.00 0.00 H new ATOM 0 HG13 VAL A 27 6.153 1.231 3.949 1.00 0.00 H new ATOM 0 HG21 VAL A 27 3.451 2.607 4.357 1.00 0.00 H new ATOM 0 HG22 VAL A 27 3.611 0.893 3.904 1.00 0.00 H new ATOM 0 HG23 VAL A 27 2.666 1.349 5.341 1.00 0.00 H new ATOM 456 N ASN A 28 6.704 0.226 7.824 1.00 0.00 N ATOM 457 CA ASN A 28 8.037 0.059 8.358 1.00 0.00 C ATOM 458 C ASN A 28 8.191 -1.338 8.807 1.00 0.00 C ATOM 459 O ASN A 28 9.288 -1.892 8.812 1.00 0.00 O ATOM 460 CB ASN A 28 8.311 0.972 9.524 1.00 0.00 C ATOM 461 CG ASN A 28 8.948 2.275 9.068 1.00 0.00 C ATOM 462 OD1 ASN A 28 9.243 2.460 7.887 1.00 0.00 O ATOM 463 ND2 ASN A 28 9.166 3.186 10.018 1.00 0.00 N ATOM 0 H ASN A 28 6.042 0.628 8.488 1.00 0.00 H new ATOM 0 HA ASN A 28 8.745 0.310 7.568 1.00 0.00 H new ATOM 0 HB2 ASN A 28 7.380 1.184 10.049 1.00 0.00 H new ATOM 0 HB3 ASN A 28 8.970 0.471 10.234 1.00 0.00 H new ATOM 0 HD21 ASN A 28 9.594 4.080 9.778 1.00 0.00 H new ATOM 0 HD22 ASN A 28 8.905 2.988 10.984 1.00 0.00 H new ATOM 470 N CYS A 29 7.071 -1.947 9.168 1.00 0.00 N ATOM 471 CA CYS A 29 7.057 -3.326 9.570 1.00 0.00 C ATOM 472 C CYS A 29 7.248 -4.226 8.366 1.00 0.00 C ATOM 473 O CYS A 29 7.764 -5.333 8.488 1.00 0.00 O ATOM 474 CB CYS A 29 5.747 -3.633 10.295 1.00 0.00 C ATOM 475 SG CYS A 29 5.781 -3.249 12.077 1.00 0.00 S ATOM 0 H CYS A 29 6.157 -1.494 9.187 1.00 0.00 H new ATOM 0 HA CYS A 29 7.882 -3.515 10.257 1.00 0.00 H new ATOM 0 HB2 CYS A 29 4.942 -3.066 9.827 1.00 0.00 H new ATOM 0 HB3 CYS A 29 5.510 -4.689 10.165 1.00 0.00 H new ATOM 480 N VAL A 30 6.848 -3.719 7.193 1.00 0.00 N ATOM 481 CA VAL A 30 7.013 -4.473 5.951 1.00 0.00 C ATOM 482 C VAL A 30 8.479 -4.839 5.758 1.00 0.00 C ATOM 483 O VAL A 30 8.804 -5.855 5.148 1.00 0.00 O ATOM 484 CB VAL A 30 6.497 -3.671 4.730 1.00 0.00 C ATOM 485 CG1 VAL A 30 6.892 -4.343 3.413 1.00 0.00 C ATOM 486 CG2 VAL A 30 4.989 -3.496 4.810 1.00 0.00 C ATOM 0 H VAL A 30 6.414 -2.803 7.081 1.00 0.00 H new ATOM 0 HA VAL A 30 6.420 -5.384 6.026 1.00 0.00 H new ATOM 0 HB VAL A 30 6.966 -2.687 4.753 1.00 0.00 H new ATOM 0 HG11 VAL A 30 6.514 -3.755 2.577 1.00 0.00 H new ATOM 0 HG12 VAL A 30 7.978 -4.409 3.349 1.00 0.00 H new ATOM 0 HG13 VAL A 30 6.465 -5.345 3.374 1.00 0.00 H new ATOM 0 HG21 VAL A 30 4.642 -2.931 3.945 1.00 0.00 H new ATOM 0 HG22 VAL A 30 4.509 -4.475 4.820 1.00 0.00 H new ATOM 0 HG23 VAL A 30 4.733 -2.957 5.722 1.00 0.00 H new ATOM 496 N MET A 31 9.377 -3.994 6.287 1.00 0.00 N ATOM 497 CA MET A 31 10.807 -4.239 6.175 1.00 0.00 C ATOM 498 C MET A 31 11.200 -5.530 6.904 1.00 0.00 C ATOM 499 O MET A 31 12.288 -6.065 6.693 1.00 0.00 O ATOM 500 CB MET A 31 11.597 -3.051 6.727 1.00 0.00 C ATOM 501 CG MET A 31 11.784 -3.068 8.238 1.00 0.00 C ATOM 502 SD MET A 31 12.166 -1.445 8.917 1.00 0.00 S ATOM 503 CE MET A 31 13.946 -1.408 8.726 1.00 0.00 C ATOM 0 H MET A 31 9.132 -3.142 6.792 1.00 0.00 H new ATOM 0 HA MET A 31 11.050 -4.358 5.119 1.00 0.00 H new ATOM 0 HB2 MET A 31 12.578 -3.030 6.252 1.00 0.00 H new ATOM 0 HB3 MET A 31 11.087 -2.129 6.446 1.00 0.00 H new ATOM 0 HG2 MET A 31 10.876 -3.447 8.707 1.00 0.00 H new ATOM 0 HG3 MET A 31 12.587 -3.760 8.492 1.00 0.00 H new ATOM 0 HE1 MET A 31 14.333 -0.461 9.103 1.00 0.00 H new ATOM 0 HE2 MET A 31 14.389 -2.230 9.287 1.00 0.00 H new ATOM 0 HE3 MET A 31 14.201 -1.510 7.671 1.00 0.00 H new ATOM 513 N GLU A 32 10.307 -6.015 7.773 1.00 0.00 N ATOM 514 CA GLU A 32 10.543 -7.238 8.551 1.00 0.00 C ATOM 515 C GLU A 32 11.342 -6.953 9.816 1.00 0.00 C ATOM 516 O GLU A 32 12.538 -7.202 9.883 1.00 0.00 O ATOM 517 CB GLU A 32 11.263 -8.299 7.705 1.00 0.00 C ATOM 518 CG GLU A 32 10.698 -9.696 7.863 1.00 0.00 C ATOM 519 CD GLU A 32 10.757 -10.500 6.582 1.00 0.00 C ATOM 520 OE1 GLU A 32 9.801 -10.404 5.775 1.00 0.00 O ATOM 521 OE2 GLU A 32 11.745 -11.232 6.382 1.00 0.00 O ATOM 0 H GLU A 32 9.405 -5.575 7.957 1.00 0.00 H new ATOM 0 HA GLU A 32 9.567 -7.624 8.844 1.00 0.00 H new ATOM 0 HB2 GLU A 32 11.207 -8.012 6.655 1.00 0.00 H new ATOM 0 HB3 GLU A 32 12.319 -8.311 7.977 1.00 0.00 H new ATOM 0 HG2 GLU A 32 11.251 -10.221 8.642 1.00 0.00 H new ATOM 0 HG3 GLU A 32 9.663 -9.629 8.197 1.00 0.00 H new ATOM 528 N ARG A 33 10.655 -6.425 10.828 1.00 0.00 N ATOM 529 CA ARG A 33 11.288 -6.101 12.100 1.00 0.00 C ATOM 530 C ARG A 33 10.972 -7.157 13.158 1.00 0.00 C ATOM 531 O ARG A 33 11.661 -7.257 14.169 1.00 0.00 O ATOM 532 CB ARG A 33 10.810 -4.729 12.572 1.00 0.00 C ATOM 533 CG ARG A 33 9.348 -4.696 12.980 1.00 0.00 C ATOM 534 CD ARG A 33 9.190 -4.533 14.485 1.00 0.00 C ATOM 535 NE ARG A 33 8.220 -5.479 15.041 1.00 0.00 N ATOM 536 CZ ARG A 33 7.660 -5.343 16.234 1.00 0.00 C ATOM 537 NH1 ARG A 33 7.953 -4.305 17.006 1.00 0.00 N ATOM 538 NH2 ARG A 33 6.791 -6.253 16.660 1.00 0.00 N ATOM 0 H ARG A 33 9.658 -6.213 10.789 1.00 0.00 H new ATOM 0 HA ARG A 33 12.368 -6.084 11.954 1.00 0.00 H new ATOM 0 HB2 ARG A 33 11.421 -4.413 13.418 1.00 0.00 H new ATOM 0 HB3 ARG A 33 10.971 -4.004 11.774 1.00 0.00 H new ATOM 0 HG2 ARG A 33 8.846 -3.874 12.470 1.00 0.00 H new ATOM 0 HG3 ARG A 33 8.859 -5.616 12.660 1.00 0.00 H new ATOM 0 HD2 ARG A 33 10.156 -4.678 14.969 1.00 0.00 H new ATOM 0 HD3 ARG A 33 8.872 -3.515 14.708 1.00 0.00 H new ATOM 0 HE ARG A 33 7.961 -6.289 14.478 1.00 0.00 H new ATOM 0 HH11 ARG A 33 8.616 -3.600 16.683 1.00 0.00 H new ATOM 0 HH12 ARG A 33 7.515 -4.211 17.923 1.00 0.00 H new ATOM 0 HH21 ARG A 33 6.558 -7.051 16.070 1.00 0.00 H new ATOM 0 HH22 ARG A 33 6.357 -6.153 17.578 1.00 0.00 H new ATOM 552 N GLY A 34 9.928 -7.945 12.912 1.00 0.00 N ATOM 553 CA GLY A 34 9.535 -8.978 13.866 1.00 0.00 C ATOM 554 C GLY A 34 8.051 -8.959 14.165 1.00 0.00 C ATOM 555 O GLY A 34 7.501 -7.915 14.506 1.00 0.00 O ATOM 0 H GLY A 34 9.348 -7.890 12.075 1.00 0.00 H new ATOM 0 HA2 GLY A 34 9.810 -9.956 13.471 1.00 0.00 H new ATOM 0 HA3 GLY A 34 10.091 -8.841 14.794 1.00 0.00 H new ATOM 559 N LYS A 35 7.398 -10.118 14.046 1.00 0.00 N ATOM 560 CA LYS A 35 5.966 -10.222 14.304 1.00 0.00 C ATOM 561 C LYS A 35 5.175 -9.475 13.245 1.00 0.00 C ATOM 562 O LYS A 35 4.455 -10.083 12.461 1.00 0.00 O ATOM 563 CB LYS A 35 5.620 -9.680 15.696 1.00 0.00 C ATOM 564 CG LYS A 35 4.522 -10.466 16.398 1.00 0.00 C ATOM 565 CD LYS A 35 4.621 -10.335 17.903 1.00 0.00 C ATOM 566 CE LYS A 35 5.425 -11.468 18.513 1.00 0.00 C ATOM 567 NZ LYS A 35 4.954 -11.815 19.885 1.00 0.00 N ATOM 0 H LYS A 35 7.841 -10.995 13.773 1.00 0.00 H new ATOM 0 HA LYS A 35 5.695 -11.277 14.265 1.00 0.00 H new ATOM 0 HB2 LYS A 35 6.517 -9.692 16.315 1.00 0.00 H new ATOM 0 HB3 LYS A 35 5.309 -8.639 15.605 1.00 0.00 H new ATOM 0 HG2 LYS A 35 3.548 -10.109 16.064 1.00 0.00 H new ATOM 0 HG3 LYS A 35 4.590 -11.517 16.118 1.00 0.00 H new ATOM 0 HD2 LYS A 35 5.086 -9.382 18.156 1.00 0.00 H new ATOM 0 HD3 LYS A 35 3.620 -10.326 18.334 1.00 0.00 H new ATOM 0 HE2 LYS A 35 5.355 -12.347 17.873 1.00 0.00 H new ATOM 0 HE3 LYS A 35 6.477 -11.185 18.552 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 5.531 -12.593 20.264 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 5.045 -10.984 20.504 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 3.957 -12.110 19.846 1.00 0.00 H new ATOM 581 N CYS A 36 5.320 -8.153 13.209 1.00 0.00 N ATOM 582 CA CYS A 36 4.625 -7.361 12.219 1.00 0.00 C ATOM 583 C CYS A 36 5.350 -7.453 10.876 1.00 0.00 C ATOM 584 O CYS A 36 6.223 -6.639 10.556 1.00 0.00 O ATOM 585 CB CYS A 36 4.494 -5.911 12.666 1.00 0.00 C ATOM 586 SG CYS A 36 6.081 -5.053 12.955 1.00 0.00 S ATOM 0 H CYS A 36 5.908 -7.619 13.850 1.00 0.00 H new ATOM 0 HA CYS A 36 3.617 -7.760 12.103 1.00 0.00 H new ATOM 0 HB2 CYS A 36 3.932 -5.362 11.910 1.00 0.00 H new ATOM 0 HB3 CYS A 36 3.908 -5.880 13.584 1.00 0.00 H new ATOM 591 N SER A 37 4.991 -8.474 10.141 1.00 0.00 N ATOM 592 CA SER A 37 5.573 -8.769 8.837 1.00 0.00 C ATOM 593 C SER A 37 5.075 -10.122 8.371 1.00 0.00 C ATOM 594 O SER A 37 4.342 -10.220 7.381 1.00 0.00 O ATOM 595 CB SER A 37 7.103 -8.755 8.896 1.00 0.00 C ATOM 596 OG SER A 37 7.646 -7.916 7.886 1.00 0.00 O ATOM 0 H SER A 37 4.275 -9.141 10.428 1.00 0.00 H new ATOM 0 HA SER A 37 5.266 -7.998 8.130 1.00 0.00 H new ATOM 0 HB2 SER A 37 7.429 -8.407 9.876 1.00 0.00 H new ATOM 0 HB3 SER A 37 7.484 -9.769 8.775 1.00 0.00 H new ATOM 0 HG SER A 37 7.390 -6.986 8.061 1.00 0.00 H new ATOM 602 N PRO A 38 5.404 -11.198 9.114 1.00 0.00 N ATOM 603 CA PRO A 38 4.929 -12.543 8.786 1.00 0.00 C ATOM 604 C PRO A 38 3.404 -12.552 8.765 1.00 0.00 C ATOM 605 O PRO A 38 2.789 -13.120 7.862 1.00 0.00 O ATOM 606 CB PRO A 38 5.462 -13.421 9.927 1.00 0.00 C ATOM 607 CG PRO A 38 5.815 -12.468 11.020 1.00 0.00 C ATOM 608 CD PRO A 38 6.226 -11.191 10.339 1.00 0.00 C ATOM 0 HA PRO A 38 5.265 -12.892 7.810 1.00 0.00 H new ATOM 0 HB2 PRO A 38 4.710 -14.138 10.257 1.00 0.00 H new ATOM 0 HB3 PRO A 38 6.332 -13.995 9.609 1.00 0.00 H new ATOM 0 HG2 PRO A 38 4.965 -12.301 11.682 1.00 0.00 H new ATOM 0 HG3 PRO A 38 6.625 -12.861 11.634 1.00 0.00 H new ATOM 0 HD2 PRO A 38 6.022 -10.318 10.959 1.00 0.00 H new ATOM 0 HD3 PRO A 38 7.292 -11.178 10.111 1.00 0.00 H new ATOM 616 N GLU A 39 2.818 -11.876 9.748 1.00 0.00 N ATOM 617 CA GLU A 39 1.365 -11.762 9.826 1.00 0.00 C ATOM 618 C GLU A 39 0.873 -10.779 8.772 1.00 0.00 C ATOM 619 O GLU A 39 -0.007 -11.062 8.044 1.00 0.00 O ATOM 620 CB GLU A 39 0.946 -11.302 11.224 1.00 0.00 C ATOM 621 CG GLU A 39 1.396 -12.235 12.333 1.00 0.00 C ATOM 622 CD GLU A 39 0.516 -13.464 12.454 1.00 0.00 C ATOM 623 OE1 GLU A 39 0.464 -14.251 11.479 1.00 0.00 O ATOM 624 OE2 GLU A 39 -0.051 -13.652 13.513 1.00 0.00 O ATOM 0 H GLU A 39 3.322 -11.402 10.497 1.00 0.00 H new ATOM 0 HA GLU A 39 0.917 -12.738 9.637 1.00 0.00 H new ATOM 0 HB2 GLU A 39 1.356 -10.309 11.408 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -0.140 -11.210 11.257 1.00 0.00 H new ATOM 0 HG2 GLU A 39 2.424 -12.546 12.147 1.00 0.00 H new ATOM 0 HG3 GLU A 39 1.393 -11.696 13.280 1.00 0.00 H new ATOM 631 N GLY A 40 1.553 -9.637 8.689 1.00 0.00 N ATOM 632 CA GLY A 40 1.190 -8.627 7.703 1.00 0.00 C ATOM 633 C GLY A 40 1.239 -9.186 6.288 1.00 0.00 C ATOM 634 O GLY A 40 0.505 -8.749 5.411 1.00 0.00 O ATOM 0 H GLY A 40 2.345 -9.392 9.283 1.00 0.00 H new ATOM 0 HA2 GLY A 40 0.187 -8.255 7.914 1.00 0.00 H new ATOM 0 HA3 GLY A 40 1.869 -7.778 7.784 1.00 0.00 H new ATOM 638 N LYS A 41 2.118 -10.164 6.097 1.00 0.00 N ATOM 639 CA LYS A 41 2.303 -10.797 4.797 1.00 0.00 C ATOM 640 C LYS A 41 0.971 -11.190 4.163 1.00 0.00 C ATOM 641 O LYS A 41 0.838 -11.162 2.942 1.00 0.00 O ATOM 642 CB LYS A 41 3.186 -12.039 4.934 1.00 0.00 C ATOM 643 CG LYS A 41 3.545 -12.686 3.602 1.00 0.00 C ATOM 644 CD LYS A 41 3.453 -14.200 3.683 1.00 0.00 C ATOM 645 CE LYS A 41 4.580 -14.868 2.914 1.00 0.00 C ATOM 646 NZ LYS A 41 4.597 -14.468 1.482 1.00 0.00 N ATOM 0 H LYS A 41 2.718 -10.538 6.833 1.00 0.00 H new ATOM 0 HA LYS A 41 2.788 -10.068 4.147 1.00 0.00 H new ATOM 0 HB2 LYS A 41 4.104 -11.765 5.454 1.00 0.00 H new ATOM 0 HB3 LYS A 41 2.673 -12.772 5.557 1.00 0.00 H new ATOM 0 HG2 LYS A 41 2.875 -12.320 2.825 1.00 0.00 H new ATOM 0 HG3 LYS A 41 4.555 -12.396 3.314 1.00 0.00 H new ATOM 0 HD2 LYS A 41 3.488 -14.512 4.727 1.00 0.00 H new ATOM 0 HD3 LYS A 41 2.494 -14.529 3.284 1.00 0.00 H new ATOM 0 HE2 LYS A 41 5.534 -14.609 3.373 1.00 0.00 H new ATOM 0 HE3 LYS A 41 4.475 -15.951 2.986 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 5.316 -15.023 0.975 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 3.663 -14.645 1.061 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 4.825 -13.456 1.407 1.00 0.00 H new ATOM 660 N GLU A 42 0.024 -11.547 4.981 1.00 0.00 N ATOM 661 CA GLU A 42 -1.233 -11.934 4.466 1.00 0.00 C ATOM 662 C GLU A 42 -1.873 -10.776 3.711 1.00 0.00 C ATOM 663 O GLU A 42 -2.247 -10.919 2.541 1.00 0.00 O ATOM 664 CB GLU A 42 -2.153 -12.389 5.603 1.00 0.00 C ATOM 665 CG GLU A 42 -3.007 -13.591 5.260 1.00 0.00 C ATOM 666 CD GLU A 42 -2.303 -14.909 5.515 1.00 0.00 C ATOM 667 OE1 GLU A 42 -1.547 -15.365 4.634 1.00 0.00 O ATOM 668 OE2 GLU A 42 -2.506 -15.483 6.610 1.00 0.00 O ATOM 0 H GLU A 42 0.108 -11.574 5.997 1.00 0.00 H new ATOM 0 HA GLU A 42 -1.085 -12.765 3.777 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -1.545 -12.625 6.476 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -2.805 -11.561 5.883 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -3.925 -13.557 5.846 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -3.296 -13.537 4.210 1.00 0.00 H new ATOM 675 N LEU A 43 -1.983 -9.636 4.370 1.00 0.00 N ATOM 676 CA LEU A 43 -2.563 -8.461 3.747 1.00 0.00 C ATOM 677 C LEU A 43 -1.696 -7.998 2.582 1.00 0.00 C ATOM 678 O LEU A 43 -2.205 -7.465 1.597 1.00 0.00 O ATOM 679 CB LEU A 43 -2.719 -7.340 4.769 1.00 0.00 C ATOM 680 CG LEU A 43 -3.379 -7.764 6.089 1.00 0.00 C ATOM 681 CD1 LEU A 43 -2.351 -7.862 7.202 1.00 0.00 C ATOM 682 CD2 LEU A 43 -4.491 -6.790 6.470 1.00 0.00 C ATOM 0 H LEU A 43 -1.679 -9.500 5.334 1.00 0.00 H new ATOM 0 HA LEU A 43 -3.550 -8.722 3.365 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -1.735 -6.926 4.987 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -3.310 -6.540 4.323 1.00 0.00 H new ATOM 0 HG LEU A 43 -3.819 -8.751 5.946 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -2.843 -8.164 8.126 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -1.595 -8.601 6.935 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -1.875 -6.892 7.344 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -4.947 -7.107 7.408 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -4.074 -5.790 6.589 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -5.247 -6.776 5.685 1.00 0.00 H new ATOM 694 N LYS A 44 -0.400 -8.212 2.693 1.00 0.00 N ATOM 695 CA LYS A 44 0.452 -7.833 1.635 1.00 0.00 C ATOM 696 C LYS A 44 0.327 -8.787 0.458 1.00 0.00 C ATOM 697 O LYS A 44 0.462 -8.386 -0.617 1.00 0.00 O ATOM 698 CB LYS A 44 1.892 -7.776 2.165 1.00 0.00 C ATOM 699 CG LYS A 44 2.751 -8.985 1.806 1.00 0.00 C ATOM 700 CD LYS A 44 3.426 -8.814 0.459 1.00 0.00 C ATOM 701 CE LYS A 44 4.550 -9.815 0.287 1.00 0.00 C ATOM 702 NZ LYS A 44 5.422 -9.905 1.468 1.00 0.00 N ATOM 0 H LYS A 44 0.059 -8.639 3.497 1.00 0.00 H new ATOM 0 HA LYS A 44 0.164 -6.848 1.267 1.00 0.00 H new ATOM 0 HB2 LYS A 44 2.372 -6.878 1.777 1.00 0.00 H new ATOM 0 HB3 LYS A 44 1.862 -7.678 3.250 1.00 0.00 H new ATOM 0 HG2 LYS A 44 3.508 -9.135 2.576 1.00 0.00 H new ATOM 0 HG3 LYS A 44 2.130 -9.881 1.791 1.00 0.00 H new ATOM 0 HD2 LYS A 44 2.694 -8.943 -0.338 1.00 0.00 H new ATOM 0 HD3 LYS A 44 3.819 -7.801 0.371 1.00 0.00 H new ATOM 0 HE2 LYS A 44 4.126 -10.797 0.079 1.00 0.00 H new ATOM 0 HE3 LYS A 44 5.149 -9.536 -0.580 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 6.363 -10.242 1.180 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 5.510 -8.966 1.907 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 5.011 -10.570 2.153 1.00 0.00 H new ATOM 716 N GLU A 45 0.048 -10.057 0.755 1.00 0.00 N ATOM 717 CA GLU A 45 -0.047 -11.061 -0.198 1.00 0.00 C ATOM 718 C GLU A 45 -1.340 -10.833 -0.928 1.00 0.00 C ATOM 719 O GLU A 45 -1.410 -10.900 -2.159 1.00 0.00 O ATOM 720 CB GLU A 45 -0.029 -12.465 0.344 1.00 0.00 C ATOM 721 CG GLU A 45 0.683 -13.474 -0.419 1.00 0.00 C ATOM 722 CD GLU A 45 0.110 -14.867 -0.340 1.00 0.00 C ATOM 723 OE1 GLU A 45 -0.480 -15.181 0.592 1.00 0.00 O ATOM 724 OE2 GLU A 45 0.312 -15.658 -1.288 1.00 0.00 O ATOM 0 H GLU A 45 -0.116 -10.382 1.708 1.00 0.00 H new ATOM 0 HA GLU A 45 0.836 -10.996 -0.833 1.00 0.00 H new ATOM 0 HB2 GLU A 45 0.404 -12.433 1.344 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -1.062 -12.795 0.455 1.00 0.00 H new ATOM 0 HG2 GLU A 45 0.705 -13.167 -1.465 1.00 0.00 H new ATOM 0 HG3 GLU A 45 1.717 -13.504 -0.074 1.00 0.00 H new ATOM 731 N HIS A 46 -2.392 -10.550 -0.162 1.00 0.00 N ATOM 732 CA HIS A 46 -3.707 -10.297 -0.735 1.00 0.00 C ATOM 733 C HIS A 46 -3.754 -8.923 -1.396 1.00 0.00 C ATOM 734 O HIS A 46 -4.534 -8.700 -2.322 1.00 0.00 O ATOM 735 CB HIS A 46 -4.780 -10.390 0.286 1.00 0.00 C ATOM 736 CG HIS A 46 -4.925 -11.759 0.857 1.00 0.00 C ATOM 737 ND1 HIS A 46 -6.138 -12.303 1.219 1.00 0.00 N ATOM 738 CD2 HIS A 46 -3.990 -12.705 1.141 1.00 0.00 C ATOM 739 CE1 HIS A 46 -5.955 -13.516 1.702 1.00 0.00 C ATOM 740 NE2 HIS A 46 -4.663 -13.784 1.671 1.00 0.00 N ATOM 0 H HIS A 46 -2.357 -10.491 0.856 1.00 0.00 H new ATOM 0 HA HIS A 46 -3.880 -11.067 -1.486 1.00 0.00 H new ATOM 0 HB2 HIS A 46 -4.569 -9.687 1.092 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -5.727 -10.087 -0.161 1.00 0.00 H new ATOM 0 HD2 HIS A 46 -2.925 -12.626 0.982 1.00 0.00 H new ATOM 0 HE1 HIS A 46 -6.730 -14.177 2.061 1.00 0.00 H new ATOM 0 HE2 HIS A 46 -4.231 -14.652 1.989 1.00 0.00 H new ATOM 749 N LEU A 47 -2.920 -8.008 -0.916 1.00 0.00 N ATOM 750 CA LEU A 47 -2.871 -6.653 -1.462 1.00 0.00 C ATOM 751 C LEU A 47 -1.922 -6.563 -2.652 1.00 0.00 C ATOM 752 O LEU A 47 -2.244 -5.932 -3.661 1.00 0.00 O ATOM 753 CB LEU A 47 -2.443 -5.664 -0.377 1.00 0.00 C ATOM 754 CG LEU A 47 -2.493 -4.192 -0.790 1.00 0.00 C ATOM 755 CD1 LEU A 47 -3.843 -3.587 -0.416 1.00 0.00 C ATOM 756 CD2 LEU A 47 -1.361 -3.414 -0.147 1.00 0.00 C ATOM 0 H LEU A 47 -2.268 -8.178 -0.150 1.00 0.00 H new ATOM 0 HA LEU A 47 -3.872 -6.398 -1.811 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -3.083 -5.804 0.494 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -1.426 -5.905 -0.067 1.00 0.00 H new ATOM 0 HG LEU A 47 -2.371 -4.131 -1.871 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -3.867 -2.539 -0.715 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -4.639 -4.129 -0.927 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -3.989 -3.661 0.662 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -1.416 -2.370 -0.455 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -1.446 -3.478 0.938 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -0.406 -3.835 -0.461 1.00 0.00 H new ATOM 768 N GLN A 48 -0.763 -7.196 -2.539 1.00 0.00 N ATOM 769 CA GLN A 48 0.147 -7.174 -3.619 1.00 0.00 C ATOM 770 C GLN A 48 -0.411 -7.568 -4.953 1.00 0.00 C ATOM 771 O GLN A 48 0.028 -7.176 -6.018 1.00 0.00 O ATOM 772 CB GLN A 48 1.313 -8.112 -3.306 1.00 0.00 C ATOM 773 CG GLN A 48 0.935 -9.585 -3.279 1.00 0.00 C ATOM 774 CD GLN A 48 2.135 -10.498 -3.354 1.00 0.00 C ATOM 775 OE1 GLN A 48 2.108 -11.528 -4.024 1.00 0.00 O ATOM 776 NE2 GLN A 48 3.201 -10.137 -2.644 1.00 0.00 N ATOM 0 H GLN A 48 -0.456 -7.716 -1.717 1.00 0.00 H new ATOM 0 HA GLN A 48 0.444 -6.129 -3.712 1.00 0.00 H new ATOM 0 HB2 GLN A 48 2.095 -7.962 -4.050 1.00 0.00 H new ATOM 0 HB3 GLN A 48 1.736 -7.839 -2.339 1.00 0.00 H new ATOM 0 HG2 GLN A 48 0.380 -9.796 -2.365 1.00 0.00 H new ATOM 0 HG3 GLN A 48 0.268 -9.800 -4.114 1.00 0.00 H new ATOM 0 HE21 GLN A 48 3.183 -9.274 -2.101 1.00 0.00 H new ATOM 0 HE22 GLN A 48 4.036 -10.723 -2.643 1.00 0.00 H new ATOM 785 N ASP A 49 -1.475 -8.345 -4.888 1.00 0.00 N ATOM 786 CA ASP A 49 -2.165 -8.791 -6.101 1.00 0.00 C ATOM 787 C ASP A 49 -3.487 -8.037 -6.294 1.00 0.00 C ATOM 788 O ASP A 49 -4.361 -8.489 -7.034 1.00 0.00 O ATOM 789 CB ASP A 49 -2.438 -10.298 -6.031 1.00 0.00 C ATOM 790 CG ASP A 49 -3.352 -10.670 -4.874 1.00 0.00 C ATOM 791 OD1 ASP A 49 -4.470 -10.126 -4.800 1.00 0.00 O ATOM 792 OD2 ASP A 49 -2.941 -11.517 -4.049 1.00 0.00 O ATOM 0 H ASP A 49 -1.885 -8.683 -4.017 1.00 0.00 H new ATOM 0 HA ASP A 49 -1.518 -8.578 -6.952 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -2.890 -10.626 -6.967 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -1.493 -10.831 -5.929 1.00 0.00 H new ATOM 797 N ALA A 50 -3.627 -6.888 -5.636 1.00 0.00 N ATOM 798 CA ALA A 50 -4.834 -6.089 -5.745 1.00 0.00 C ATOM 799 C ALA A 50 -4.571 -4.794 -6.507 1.00 0.00 C ATOM 800 O ALA A 50 -5.456 -4.262 -7.168 1.00 0.00 O ATOM 801 CB ALA A 50 -5.405 -5.792 -4.368 1.00 0.00 C ATOM 0 H ALA A 50 -2.915 -6.493 -5.022 1.00 0.00 H new ATOM 0 HA ALA A 50 -5.568 -6.666 -6.307 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -6.309 -5.192 -4.471 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -5.646 -6.728 -3.864 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -4.670 -5.242 -3.780 1.00 0.00 H new ATOM 807 N ILE A 51 -3.343 -4.299 -6.414 1.00 0.00 N ATOM 808 CA ILE A 51 -2.968 -3.064 -7.094 1.00 0.00 C ATOM 809 C ILE A 51 -1.672 -3.237 -7.872 1.00 0.00 C ATOM 810 O ILE A 51 -0.942 -2.272 -8.109 1.00 0.00 O ATOM 811 CB ILE A 51 -2.818 -1.886 -6.113 1.00 0.00 C ATOM 812 CG1 ILE A 51 -1.632 -2.118 -5.160 1.00 0.00 C ATOM 813 CG2 ILE A 51 -4.098 -1.676 -5.324 1.00 0.00 C ATOM 814 CD1 ILE A 51 -1.872 -3.214 -4.139 1.00 0.00 C ATOM 0 H ILE A 51 -2.592 -4.731 -5.877 1.00 0.00 H new ATOM 0 HA ILE A 51 -3.778 -2.835 -7.786 1.00 0.00 H new ATOM 0 HB ILE A 51 -2.621 -0.985 -6.695 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -0.749 -2.369 -5.748 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -1.412 -1.188 -4.636 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -3.969 -0.839 -4.638 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -4.917 -1.460 -6.010 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -4.328 -2.578 -4.757 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -0.992 -3.319 -3.504 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -2.735 -2.956 -3.525 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -2.062 -4.156 -4.654 1.00 0.00 H new ATOM 826 N GLU A 52 -1.383 -4.475 -8.271 1.00 0.00 N ATOM 827 CA GLU A 52 -0.181 -4.770 -9.012 1.00 0.00 C ATOM 828 C GLU A 52 -0.491 -5.568 -10.282 1.00 0.00 C ATOM 829 O GLU A 52 -0.627 -4.996 -11.356 1.00 0.00 O ATOM 830 CB GLU A 52 0.744 -5.538 -8.141 1.00 0.00 C ATOM 831 CG GLU A 52 2.162 -5.544 -8.674 1.00 0.00 C ATOM 832 CD GLU A 52 2.926 -4.285 -8.312 1.00 0.00 C ATOM 833 OE1 GLU A 52 2.282 -3.240 -8.064 1.00 0.00 O ATOM 834 OE2 GLU A 52 4.172 -4.347 -8.269 1.00 0.00 O ATOM 0 H GLU A 52 -1.974 -5.285 -8.087 1.00 0.00 H new ATOM 0 HA GLU A 52 0.283 -3.832 -9.317 1.00 0.00 H new ATOM 0 HB2 GLU A 52 0.736 -5.109 -7.139 1.00 0.00 H new ATOM 0 HB3 GLU A 52 0.387 -6.564 -8.051 1.00 0.00 H new ATOM 0 HG2 GLU A 52 2.691 -6.412 -8.280 1.00 0.00 H new ATOM 0 HG3 GLU A 52 2.138 -5.651 -9.758 1.00 0.00 H new ATOM 841 N ASN A 53 -0.613 -6.888 -10.149 1.00 0.00 N ATOM 842 CA ASN A 53 -0.903 -7.743 -11.271 1.00 0.00 C ATOM 843 C ASN A 53 -2.271 -7.412 -11.872 1.00 0.00 C ATOM 844 O ASN A 53 -2.401 -7.261 -13.087 1.00 0.00 O ATOM 845 CB ASN A 53 -0.863 -9.194 -10.826 1.00 0.00 C ATOM 846 CG ASN A 53 0.218 -9.486 -9.892 1.00 0.00 C ATOM 847 OD1 ASN A 53 0.071 -10.250 -8.935 1.00 0.00 O ATOM 848 ND2 ASN A 53 1.371 -8.885 -10.166 1.00 0.00 N ATOM 0 H ASN A 53 -0.512 -7.381 -9.262 1.00 0.00 H new ATOM 0 HA ASN A 53 -0.149 -7.578 -12.040 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -1.815 -9.449 -10.359 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -0.757 -9.832 -11.703 1.00 0.00 H new ATOM 0 HD21 ASN A 53 2.184 -9.048 -9.573 1.00 0.00 H new ATOM 0 HD22 ASN A 53 1.443 -8.261 -10.970 1.00 0.00 H new ATOM 855 N GLY A 54 -3.285 -7.294 -11.015 1.00 0.00 N ATOM 856 CA GLY A 54 -4.618 -6.980 -11.484 1.00 0.00 C ATOM 857 C GLY A 54 -5.681 -7.868 -10.887 1.00 0.00 C ATOM 858 O GLY A 54 -5.843 -9.023 -11.294 1.00 0.00 O ATOM 0 H GLY A 54 -3.203 -7.411 -10.005 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -4.845 -5.941 -11.245 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -4.645 -7.071 -12.570 1.00 0.00 H new ATOM 862 N CYS A 55 -6.419 -7.336 -9.926 1.00 0.00 N ATOM 863 CA CYS A 55 -7.491 -8.074 -9.268 1.00 0.00 C ATOM 864 C CYS A 55 -8.826 -7.738 -9.915 1.00 0.00 C ATOM 865 O CYS A 55 -9.851 -7.650 -9.232 1.00 0.00 O ATOM 866 CB CYS A 55 -7.518 -7.768 -7.773 1.00 0.00 C ATOM 867 SG CYS A 55 -8.725 -8.749 -6.826 1.00 0.00 S ATOM 0 H CYS A 55 -6.295 -6.385 -9.580 1.00 0.00 H new ATOM 0 HA CYS A 55 -7.306 -9.142 -9.387 1.00 0.00 H new ATOM 0 HB2 CYS A 55 -6.524 -7.942 -7.361 1.00 0.00 H new ATOM 0 HB3 CYS A 55 -7.740 -6.710 -7.635 1.00 0.00 H new ATOM 872 N LYS A 56 -8.811 -7.545 -11.225 1.00 0.00 N ATOM 873 CA LYS A 56 -10.024 -7.211 -11.974 1.00 0.00 C ATOM 874 C LYS A 56 -11.198 -8.078 -11.539 1.00 0.00 C ATOM 875 O LYS A 56 -12.347 -7.648 -11.596 1.00 0.00 O ATOM 876 CB LYS A 56 -9.770 -7.378 -13.476 1.00 0.00 C ATOM 877 CG LYS A 56 -8.485 -6.712 -13.950 1.00 0.00 C ATOM 878 CD LYS A 56 -8.750 -5.658 -15.007 1.00 0.00 C ATOM 879 CE LYS A 56 -7.621 -4.636 -15.075 1.00 0.00 C ATOM 880 NZ LYS A 56 -6.641 -4.959 -16.142 1.00 0.00 N ATOM 0 H LYS A 56 -7.970 -7.613 -11.798 1.00 0.00 H new ATOM 0 HA LYS A 56 -10.280 -6.172 -11.764 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -9.729 -8.441 -13.714 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -10.612 -6.960 -14.028 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -7.979 -6.254 -13.100 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -7.811 -7.468 -14.353 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -8.867 -6.138 -15.979 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -9.689 -5.150 -14.788 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -8.039 -3.646 -15.255 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -7.110 -4.596 -14.113 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -5.890 -4.239 -16.154 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -6.222 -5.893 -15.958 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -7.123 -4.972 -17.064 1.00 0.00 H new ATOM 894 N LYS A 57 -10.902 -9.298 -11.107 1.00 0.00 N ATOM 895 CA LYS A 57 -11.945 -10.217 -10.651 1.00 0.00 C ATOM 896 C LYS A 57 -12.725 -9.611 -9.496 1.00 0.00 C ATOM 897 O LYS A 57 -13.958 -9.624 -9.497 1.00 0.00 O ATOM 898 CB LYS A 57 -11.321 -11.546 -10.218 1.00 0.00 C ATOM 899 CG LYS A 57 -12.341 -12.657 -10.013 1.00 0.00 C ATOM 900 CD LYS A 57 -11.708 -14.027 -10.151 1.00 0.00 C ATOM 901 CE LYS A 57 -11.142 -14.243 -11.548 1.00 0.00 C ATOM 902 NZ LYS A 57 -9.666 -14.037 -11.591 1.00 0.00 N ATOM 0 H LYS A 57 -9.955 -9.675 -11.062 1.00 0.00 H new ATOM 0 HA LYS A 57 -12.632 -10.396 -11.478 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -10.598 -11.861 -10.971 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -10.769 -11.394 -9.290 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -12.791 -12.561 -9.025 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -13.146 -12.552 -10.741 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -10.912 -14.137 -9.414 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -12.451 -14.795 -9.936 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -11.377 -15.254 -11.882 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -11.624 -13.557 -12.245 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -9.425 -13.421 -12.393 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -9.352 -13.592 -10.705 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -9.191 -14.955 -11.705 1.00 0.00 H new ATOM 916 N CYS A 58 -12.005 -9.069 -8.518 1.00 0.00 N ATOM 917 CA CYS A 58 -12.636 -8.448 -7.362 1.00 0.00 C ATOM 918 C CYS A 58 -13.047 -7.022 -7.682 1.00 0.00 C ATOM 919 O CYS A 58 -12.663 -6.462 -8.700 1.00 0.00 O ATOM 920 CB CYS A 58 -11.677 -8.464 -6.169 1.00 0.00 C ATOM 921 SG CYS A 58 -10.194 -7.424 -6.378 1.00 0.00 S ATOM 0 H CYS A 58 -10.985 -9.048 -8.505 1.00 0.00 H new ATOM 0 HA CYS A 58 -13.530 -9.017 -7.107 1.00 0.00 H new ATOM 0 HB2 CYS A 58 -12.216 -8.133 -5.281 1.00 0.00 H new ATOM 0 HB3 CYS A 58 -11.362 -9.491 -5.986 1.00 0.00 H new ATOM 926 N THR A 59 -13.854 -6.435 -6.798 1.00 0.00 N ATOM 927 CA THR A 59 -14.340 -5.070 -6.984 1.00 0.00 C ATOM 928 C THR A 59 -13.216 -4.134 -7.420 1.00 0.00 C ATOM 929 O THR A 59 -12.041 -4.472 -7.332 1.00 0.00 O ATOM 930 CB THR A 59 -14.968 -4.550 -5.691 1.00 0.00 C ATOM 931 OG1 THR A 59 -15.440 -3.228 -5.850 1.00 0.00 O ATOM 932 CG2 THR A 59 -14.004 -4.555 -4.514 1.00 0.00 C ATOM 0 H THR A 59 -14.185 -6.886 -5.945 1.00 0.00 H new ATOM 0 HA THR A 59 -15.094 -5.092 -7.771 1.00 0.00 H new ATOM 0 HB THR A 59 -15.789 -5.235 -5.477 1.00 0.00 H new ATOM 0 HG1 THR A 59 -15.564 -2.817 -4.969 1.00 0.00 H new ATOM 0 HG21 THR A 59 -14.511 -4.175 -3.627 1.00 0.00 H new ATOM 0 HG22 THR A 59 -13.662 -5.573 -4.328 1.00 0.00 H new ATOM 0 HG23 THR A 59 -13.147 -3.921 -4.743 1.00 0.00 H new ATOM 940 N GLU A 60 -13.593 -2.951 -7.916 1.00 0.00 N ATOM 941 CA GLU A 60 -12.621 -1.974 -8.382 1.00 0.00 C ATOM 942 C GLU A 60 -12.300 -0.953 -7.305 1.00 0.00 C ATOM 943 O GLU A 60 -11.209 -0.375 -7.283 1.00 0.00 O ATOM 944 CB GLU A 60 -13.138 -1.263 -9.634 1.00 0.00 C ATOM 945 CG GLU A 60 -12.072 -0.497 -10.391 1.00 0.00 C ATOM 946 CD GLU A 60 -12.636 0.209 -11.557 1.00 0.00 C ATOM 947 OE1 GLU A 60 -13.592 0.965 -11.360 1.00 0.00 O ATOM 948 OE2 GLU A 60 -12.102 0.050 -12.681 1.00 0.00 O ATOM 0 H GLU A 60 -14.565 -2.653 -8.002 1.00 0.00 H new ATOM 0 HA GLU A 60 -11.704 -2.511 -8.626 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -13.583 -2.001 -10.301 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -13.932 -0.573 -9.346 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -11.597 0.222 -9.724 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -11.295 -1.185 -10.723 1.00 0.00 H new ATOM 955 N ASN A 61 -13.254 -0.720 -6.395 1.00 0.00 N ATOM 956 CA ASN A 61 -13.052 0.172 -5.316 1.00 0.00 C ATOM 957 C ASN A 61 -11.695 -0.003 -4.644 1.00 0.00 C ATOM 958 O ASN A 61 -10.976 0.920 -4.373 1.00 0.00 O ATOM 959 CB ASN A 61 -14.179 0.062 -4.282 1.00 0.00 C ATOM 960 CG ASN A 61 -14.121 -1.158 -3.485 1.00 0.00 C ATOM 961 OD1 ASN A 61 -14.885 -2.090 -3.740 1.00 0.00 O ATOM 962 ND2 ASN A 61 -13.220 -1.213 -2.509 1.00 0.00 N ATOM 0 H ASN A 61 -14.175 -1.158 -6.412 1.00 0.00 H new ATOM 0 HA ASN A 61 -13.067 1.173 -5.748 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -14.136 0.924 -3.616 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -15.139 0.105 -4.797 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -13.141 -2.052 -1.935 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -12.608 -0.416 -2.334 1.00 0.00 H new ATOM 969 N GLN A 62 -11.342 -1.225 -4.398 1.00 0.00 N ATOM 970 CA GLN A 62 -10.071 -1.553 -3.772 1.00 0.00 C ATOM 971 C GLN A 62 -8.926 -0.793 -4.435 1.00 0.00 C ATOM 972 O GLN A 62 -8.045 -0.251 -3.765 1.00 0.00 O ATOM 973 CB GLN A 62 -9.807 -3.062 -3.857 1.00 0.00 C ATOM 974 CG GLN A 62 -10.853 -3.899 -3.146 1.00 0.00 C ATOM 975 CD GLN A 62 -10.289 -5.196 -2.603 1.00 0.00 C ATOM 976 OE1 GLN A 62 -9.653 -5.216 -1.542 1.00 0.00 O ATOM 977 NE2 GLN A 62 -10.512 -6.288 -3.319 1.00 0.00 N ATOM 0 H GLN A 62 -11.919 -2.036 -4.621 1.00 0.00 H new ATOM 0 HA GLN A 62 -10.126 -1.257 -2.724 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -9.767 -3.358 -4.905 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -8.828 -3.277 -3.428 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -11.280 -3.321 -2.326 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -11.666 -4.121 -3.837 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -11.041 -6.228 -4.189 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -10.154 -7.189 -3.001 1.00 0.00 H new ATOM 986 N GLU A 63 -8.970 -0.742 -5.754 1.00 0.00 N ATOM 987 CA GLU A 63 -7.957 -0.045 -6.519 1.00 0.00 C ATOM 988 C GLU A 63 -7.959 1.361 -6.138 1.00 0.00 C ATOM 989 O GLU A 63 -6.905 1.979 -6.004 1.00 0.00 O ATOM 990 CB GLU A 63 -8.236 -0.193 -8.012 1.00 0.00 C ATOM 991 CG GLU A 63 -6.984 -0.117 -8.874 1.00 0.00 C ATOM 992 CD GLU A 63 -6.872 1.153 -9.583 1.00 0.00 C ATOM 993 OE1 GLU A 63 -6.932 2.195 -8.898 1.00 0.00 O ATOM 994 OE2 GLU A 63 -6.709 1.154 -10.823 1.00 0.00 O ATOM 0 H GLU A 63 -9.700 -1.177 -6.318 1.00 0.00 H new ATOM 0 HA GLU A 63 -6.977 -0.474 -6.310 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -8.731 -1.148 -8.188 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -8.930 0.588 -8.323 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -6.105 -0.258 -8.245 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -6.994 -0.933 -9.596 1.00 0.00 H new ATOM 1001 N LYS A 64 -9.155 1.912 -5.958 1.00 0.00 N ATOM 1002 CA LYS A 64 -9.304 3.305 -5.585 1.00 0.00 C ATOM 1003 C LYS A 64 -8.769 3.533 -4.176 1.00 0.00 C ATOM 1004 O LYS A 64 -7.866 4.336 -3.965 1.00 0.00 O ATOM 1005 CB LYS A 64 -10.757 3.743 -5.671 1.00 0.00 C ATOM 1006 CG LYS A 64 -11.419 3.388 -7.007 1.00 0.00 C ATOM 1007 CD LYS A 64 -12.558 4.341 -7.334 1.00 0.00 C ATOM 1008 CE LYS A 64 -13.651 4.287 -6.279 1.00 0.00 C ATOM 1009 NZ LYS A 64 -14.998 4.540 -6.862 1.00 0.00 N ATOM 0 H LYS A 64 -10.036 1.409 -6.066 1.00 0.00 H new ATOM 0 HA LYS A 64 -8.727 3.907 -6.287 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -11.318 3.278 -4.860 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -10.814 4.821 -5.520 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -10.675 3.421 -7.803 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -11.798 2.367 -6.967 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -12.173 5.358 -7.408 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -12.978 4.087 -8.307 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -13.642 3.310 -5.796 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -13.446 5.027 -5.505 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -15.716 4.495 -6.111 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -15.015 5.483 -7.300 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -15.205 3.819 -7.583 1.00 0.00 H new ATOM 1023 N GLY A 65 -9.338 2.804 -3.214 1.00 0.00 N ATOM 1024 CA GLY A 65 -8.890 2.931 -1.839 1.00 0.00 C ATOM 1025 C GLY A 65 -7.398 2.718 -1.715 1.00 0.00 C ATOM 1026 O GLY A 65 -6.754 3.260 -0.820 1.00 0.00 O ATOM 0 H GLY A 65 -10.093 2.135 -3.363 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -9.149 3.920 -1.462 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -9.414 2.205 -1.217 1.00 0.00 H new ATOM 1030 N ALA A 66 -6.847 1.928 -2.631 1.00 0.00 N ATOM 1031 CA ALA A 66 -5.422 1.655 -2.624 1.00 0.00 C ATOM 1032 C ALA A 66 -4.630 2.879 -3.066 1.00 0.00 C ATOM 1033 O ALA A 66 -3.896 3.466 -2.273 1.00 0.00 O ATOM 1034 CB ALA A 66 -5.105 0.472 -3.526 1.00 0.00 C ATOM 0 H ALA A 66 -7.365 1.470 -3.381 1.00 0.00 H new ATOM 0 HA ALA A 66 -5.130 1.409 -1.603 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -4.032 0.280 -3.510 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -5.637 -0.410 -3.170 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -5.418 0.698 -4.545 1.00 0.00 H new ATOM 1040 N TYR A 67 -4.793 3.277 -4.330 1.00 0.00 N ATOM 1041 CA TYR A 67 -4.082 4.458 -4.825 1.00 0.00 C ATOM 1042 C TYR A 67 -4.336 5.628 -3.886 1.00 0.00 C ATOM 1043 O TYR A 67 -3.416 6.376 -3.548 1.00 0.00 O ATOM 1044 CB TYR A 67 -4.503 4.804 -6.251 1.00 0.00 C ATOM 1045 CG TYR A 67 -3.483 5.637 -7.012 1.00 0.00 C ATOM 1046 CD1 TYR A 67 -3.012 6.846 -6.491 1.00 0.00 C ATOM 1047 CD2 TYR A 67 -2.995 5.219 -8.245 1.00 0.00 C ATOM 1048 CE1 TYR A 67 -2.097 7.603 -7.191 1.00 0.00 C ATOM 1049 CE2 TYR A 67 -2.075 5.974 -8.936 1.00 0.00 C ATOM 1050 CZ TYR A 67 -1.629 7.162 -8.407 1.00 0.00 C ATOM 1051 OH TYR A 67 -0.703 7.911 -9.105 1.00 0.00 O ATOM 0 H TYR A 67 -5.393 2.814 -5.013 1.00 0.00 H new ATOM 0 HA TYR A 67 -3.014 4.240 -4.849 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -4.684 3.880 -6.800 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -5.448 5.346 -6.219 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -3.368 7.190 -5.531 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -3.343 4.288 -8.667 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -1.748 8.541 -6.785 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -1.704 5.634 -9.892 1.00 0.00 H new ATOM 0 HH TYR A 67 0.031 7.332 -9.400 1.00 0.00 H new ATOM 1061 N ARG A 68 -5.581 5.762 -3.444 1.00 0.00 N ATOM 1062 CA ARG A 68 -5.923 6.826 -2.516 1.00 0.00 C ATOM 1063 C ARG A 68 -4.989 6.763 -1.316 1.00 0.00 C ATOM 1064 O ARG A 68 -4.497 7.792 -0.831 1.00 0.00 O ATOM 1065 CB ARG A 68 -7.380 6.680 -2.052 1.00 0.00 C ATOM 1066 CG ARG A 68 -8.005 7.989 -1.603 1.00 0.00 C ATOM 1067 CD ARG A 68 -9.418 7.783 -1.090 1.00 0.00 C ATOM 1068 NE ARG A 68 -10.365 7.484 -2.160 1.00 0.00 N ATOM 1069 CZ ARG A 68 -10.828 8.393 -3.011 1.00 0.00 C ATOM 1070 NH1 ARG A 68 -10.451 9.658 -2.919 1.00 0.00 N ATOM 1071 NH2 ARG A 68 -11.682 8.037 -3.961 1.00 0.00 N ATOM 0 H ARG A 68 -6.357 5.156 -3.710 1.00 0.00 H new ATOM 0 HA ARG A 68 -5.813 7.788 -3.016 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -7.973 6.264 -2.867 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -7.422 5.965 -1.230 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -7.393 8.435 -0.819 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -8.018 8.692 -2.436 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -9.423 6.967 -0.367 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -9.743 8.679 -0.562 1.00 0.00 H new ATOM 0 HE ARG A 68 -10.690 6.522 -2.260 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -9.798 9.944 -2.189 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -10.813 10.347 -3.578 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -11.983 7.066 -4.038 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -12.038 8.735 -4.615 1.00 0.00 H new ATOM 1085 N VAL A 69 -4.717 5.546 -0.852 1.00 0.00 N ATOM 1086 CA VAL A 69 -3.814 5.345 0.195 1.00 0.00 C ATOM 1087 C VAL A 69 -2.378 5.616 -0.153 1.00 0.00 C ATOM 1088 O VAL A 69 -1.537 5.979 0.596 1.00 0.00 O ATOM 1089 CB VAL A 69 -3.933 3.919 0.756 1.00 0.00 C ATOM 1090 CG1 VAL A 69 -2.842 3.654 1.798 1.00 0.00 C ATOM 1091 CG2 VAL A 69 -5.310 3.700 1.359 1.00 0.00 C ATOM 0 H VAL A 69 -5.137 4.691 -1.217 1.00 0.00 H new ATOM 0 HA VAL A 69 -4.097 6.082 0.947 1.00 0.00 H new ATOM 0 HB VAL A 69 -3.798 3.215 -0.065 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -2.945 2.639 2.182 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -1.862 3.770 1.336 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -2.942 4.364 2.619 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -5.378 2.686 1.752 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -5.471 4.414 2.167 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -6.070 3.844 0.591 1.00 0.00 H new ATOM 1101 N ILE A 70 -2.085 5.459 -1.438 1.00 0.00 N ATOM 1102 CA ILE A 70 -0.744 5.708 -1.934 1.00 0.00 C ATOM 1103 C ILE A 70 -0.458 7.197 -2.015 1.00 0.00 C ATOM 1104 O ILE A 70 0.560 7.652 -1.712 1.00 0.00 O ATOM 1105 CB ILE A 70 -0.470 5.036 -3.302 1.00 0.00 C ATOM 1106 CG1 ILE A 70 0.944 4.739 -3.439 1.00 0.00 C ATOM 1107 CG2 ILE A 70 -0.949 5.898 -4.479 1.00 0.00 C ATOM 1108 CD1 ILE A 70 1.282 3.270 -3.349 1.00 0.00 C ATOM 0 H ILE A 70 -2.755 5.163 -2.148 1.00 0.00 H new ATOM 0 HA ILE A 70 -0.066 5.253 -1.212 1.00 0.00 H new ATOM 0 HB ILE A 70 -1.040 4.107 -3.328 1.00 0.00 H new ATOM 0 HG12 ILE A 70 1.292 5.122 -4.398 1.00 0.00 H new ATOM 0 HG13 ILE A 70 1.492 5.274 -2.664 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -0.735 5.385 -5.417 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -2.023 6.066 -4.394 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -0.430 6.856 -4.463 1.00 0.00 H new ATOM 0 HD11 ILE A 70 2.358 3.137 -3.461 1.00 0.00 H new ATOM 0 HD12 ILE A 70 0.968 2.883 -2.380 1.00 0.00 H new ATOM 0 HD13 ILE A 70 0.765 2.728 -4.141 1.00 0.00 H new ATOM 1120 N GLU A 71 -1.478 7.966 -2.392 1.00 0.00 N ATOM 1121 CA GLU A 71 -1.356 9.407 -2.496 1.00 0.00 C ATOM 1122 C GLU A 71 -1.390 10.032 -1.111 1.00 0.00 C ATOM 1123 O GLU A 71 -0.753 11.054 -0.867 1.00 0.00 O ATOM 1124 CB GLU A 71 -2.477 9.986 -3.353 1.00 0.00 C ATOM 1125 CG GLU A 71 -3.861 9.549 -2.921 1.00 0.00 C ATOM 1126 CD GLU A 71 -4.967 10.323 -3.616 1.00 0.00 C ATOM 1127 OE1 GLU A 71 -5.229 10.052 -4.806 1.00 0.00 O ATOM 1128 OE2 GLU A 71 -5.569 11.206 -2.970 1.00 0.00 O ATOM 0 H GLU A 71 -2.402 7.606 -2.631 1.00 0.00 H new ATOM 0 HA GLU A 71 -0.403 9.637 -2.973 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -2.422 11.074 -3.320 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -2.319 9.690 -4.390 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -3.982 8.486 -3.128 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -3.957 9.676 -1.843 1.00 0.00 H new ATOM 1135 N HIS A 72 -2.131 9.408 -0.210 1.00 0.00 N ATOM 1136 CA HIS A 72 -2.248 9.904 1.076 1.00 0.00 C ATOM 1137 C HIS A 72 -0.963 9.611 1.845 1.00 0.00 C ATOM 1138 O HIS A 72 -0.430 10.486 2.519 1.00 0.00 O ATOM 1139 CB HIS A 72 -3.447 9.280 1.778 1.00 0.00 C ATOM 1140 CG HIS A 72 -3.845 10.005 3.020 1.00 0.00 C ATOM 1141 ND1 HIS A 72 -5.141 10.437 3.261 1.00 0.00 N ATOM 1142 CD2 HIS A 72 -3.127 10.380 4.104 1.00 0.00 C ATOM 1143 CE1 HIS A 72 -5.188 11.046 4.432 1.00 0.00 C ATOM 1144 NE2 HIS A 72 -3.977 11.019 4.965 1.00 0.00 N ATOM 0 H HIS A 72 -2.652 8.549 -0.387 1.00 0.00 H new ATOM 0 HA HIS A 72 -2.405 10.982 1.036 1.00 0.00 H new ATOM 0 HB2 HIS A 72 -4.292 9.260 1.090 1.00 0.00 H new ATOM 0 HB3 HIS A 72 -3.215 8.245 2.028 1.00 0.00 H new ATOM 0 HD2 HIS A 72 -2.073 10.206 4.261 1.00 0.00 H new ATOM 0 HE1 HIS A 72 -6.065 11.490 4.879 1.00 0.00 H new ATOM 0 HE2 HIS A 72 -3.719 11.411 5.871 1.00 0.00 H new ATOM 1153 N LEU A 73 -0.477 8.381 1.735 1.00 0.00 N ATOM 1154 CA LEU A 73 0.667 7.998 2.405 1.00 0.00 C ATOM 1155 C LEU A 73 1.861 8.677 1.743 1.00 0.00 C ATOM 1156 O LEU A 73 2.833 9.044 2.407 1.00 0.00 O ATOM 1157 CB LEU A 73 0.834 6.473 2.392 1.00 0.00 C ATOM 1158 CG LEU A 73 0.189 5.737 3.564 1.00 0.00 C ATOM 1159 CD1 LEU A 73 -1.189 6.114 3.698 1.00 0.00 C ATOM 1160 CD2 LEU A 73 0.346 4.233 3.397 1.00 0.00 C ATOM 0 H LEU A 73 -0.899 7.648 1.165 1.00 0.00 H new ATOM 0 HA LEU A 73 0.596 8.303 3.449 1.00 0.00 H new ATOM 0 HB2 LEU A 73 0.412 6.086 1.464 1.00 0.00 H new ATOM 0 HB3 LEU A 73 1.899 6.240 2.380 1.00 0.00 H new ATOM 0 HG LEU A 73 0.699 6.023 4.484 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -1.632 5.580 4.538 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -1.257 7.188 3.874 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -1.726 5.862 2.784 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -0.119 3.723 4.241 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -0.136 3.917 2.472 1.00 0.00 H new ATOM 0 HD23 LEU A 73 1.405 3.980 3.359 1.00 0.00 H new ATOM 1172 N ILE A 74 1.767 8.851 0.422 1.00 0.00 N ATOM 1173 CA ILE A 74 2.824 9.499 -0.253 1.00 0.00 C ATOM 1174 C ILE A 74 3.163 10.841 0.288 1.00 0.00 C ATOM 1175 O ILE A 74 4.330 11.139 0.555 1.00 0.00 O ATOM 1176 CB ILE A 74 2.418 9.691 -1.742 1.00 0.00 C ATOM 1177 CG1 ILE A 74 3.048 8.597 -2.609 1.00 0.00 C ATOM 1178 CG2 ILE A 74 2.815 11.065 -2.262 1.00 0.00 C ATOM 1179 CD1 ILE A 74 2.201 8.209 -3.804 1.00 0.00 C ATOM 0 H ILE A 74 0.984 8.553 -0.160 1.00 0.00 H new ATOM 0 HA ILE A 74 3.700 8.863 -0.124 1.00 0.00 H new ATOM 0 HB ILE A 74 1.332 9.615 -1.800 1.00 0.00 H new ATOM 0 HG12 ILE A 74 4.022 8.938 -2.960 1.00 0.00 H new ATOM 0 HG13 ILE A 74 3.222 7.713 -1.995 1.00 0.00 H new ATOM 0 HG21 ILE A 74 2.514 11.160 -3.305 1.00 0.00 H new ATOM 0 HG22 ILE A 74 2.320 11.835 -1.670 1.00 0.00 H new ATOM 0 HG23 ILE A 74 3.895 11.186 -2.183 1.00 0.00 H new ATOM 0 HD11 ILE A 74 2.709 7.430 -4.372 1.00 0.00 H new ATOM 0 HD12 ILE A 74 1.236 7.837 -3.460 1.00 0.00 H new ATOM 0 HD13 ILE A 74 2.048 9.081 -4.440 1.00 0.00 H new ATOM 1191 N LYS A 75 2.132 11.645 0.546 1.00 0.00 N ATOM 1192 CA LYS A 75 2.330 12.950 1.158 1.00 0.00 C ATOM 1193 C LYS A 75 2.522 12.803 2.663 1.00 0.00 C ATOM 1194 O LYS A 75 3.220 13.595 3.284 1.00 0.00 O ATOM 1195 CB LYS A 75 1.132 13.868 0.824 1.00 0.00 C ATOM 1196 CG LYS A 75 0.279 14.257 2.025 1.00 0.00 C ATOM 1197 CD LYS A 75 0.943 15.339 2.860 1.00 0.00 C ATOM 1198 CE LYS A 75 -0.012 16.353 3.370 1.00 0.00 C ATOM 1199 NZ LYS A 75 0.271 16.835 4.735 1.00 0.00 N ATOM 0 H LYS A 75 1.160 11.414 0.341 1.00 0.00 H new ATOM 0 HA LYS A 75 3.233 13.409 0.755 1.00 0.00 H new ATOM 0 HB2 LYS A 75 1.507 14.776 0.352 1.00 0.00 H new ATOM 0 HB3 LYS A 75 0.499 13.366 0.092 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -0.694 14.608 1.682 1.00 0.00 H new ATOM 0 HG3 LYS A 75 0.100 13.378 2.644 1.00 0.00 H new ATOM 0 HD2 LYS A 75 1.455 14.875 3.703 1.00 0.00 H new ATOM 0 HD3 LYS A 75 1.704 15.836 2.259 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -0.012 17.206 2.691 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -1.016 15.929 3.350 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -0.444 17.539 5.010 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 0.242 16.035 5.399 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 1.214 17.272 4.760 1.00 0.00 H new ATOM 1213 N ASN A 76 1.897 11.776 3.241 1.00 0.00 N ATOM 1214 CA ASN A 76 2.021 11.520 4.669 1.00 0.00 C ATOM 1215 C ASN A 76 3.489 11.528 5.074 1.00 0.00 C ATOM 1216 O ASN A 76 3.867 12.152 6.064 1.00 0.00 O ATOM 1217 CB ASN A 76 1.378 10.173 5.033 1.00 0.00 C ATOM 1218 CG ASN A 76 1.006 10.083 6.495 1.00 0.00 C ATOM 1219 OD1 ASN A 76 -0.003 10.544 6.900 1.00 0.00 O ATOM 1220 ND2 ASN A 76 1.887 9.489 7.298 1.00 0.00 N ATOM 0 H ASN A 76 1.304 11.113 2.742 1.00 0.00 H new ATOM 0 HA ASN A 76 1.499 12.309 5.211 1.00 0.00 H new ATOM 0 HB2 ASN A 76 0.486 10.024 4.425 1.00 0.00 H new ATOM 0 HB3 ASN A 76 2.069 9.367 4.787 1.00 0.00 H new ATOM 0 HD21 ASN A 76 1.700 9.421 8.298 1.00 0.00 H new ATOM 0 HD22 ASN A 76 2.748 9.102 6.913 1.00 0.00 H new ATOM 1227 N GLU A 77 4.297 10.849 4.275 1.00 0.00 N ATOM 1228 CA GLU A 77 5.737 10.780 4.523 1.00 0.00 C ATOM 1229 C GLU A 77 6.443 9.941 3.472 1.00 0.00 C ATOM 1230 O GLU A 77 7.459 9.308 3.751 1.00 0.00 O ATOM 1231 CB GLU A 77 6.028 10.228 5.926 1.00 0.00 C ATOM 1232 CG GLU A 77 6.306 11.313 6.960 1.00 0.00 C ATOM 1233 CD GLU A 77 5.524 11.096 8.249 1.00 0.00 C ATOM 1234 OE1 GLU A 77 5.697 10.040 8.878 1.00 0.00 O ATOM 1235 OE2 GLU A 77 4.734 12.001 8.617 1.00 0.00 O ATOM 0 H GLU A 77 3.985 10.337 3.450 1.00 0.00 H new ATOM 0 HA GLU A 77 6.125 11.797 4.462 1.00 0.00 H new ATOM 0 HB2 GLU A 77 5.178 9.631 6.257 1.00 0.00 H new ATOM 0 HB3 GLU A 77 6.886 9.558 5.874 1.00 0.00 H new ATOM 0 HG2 GLU A 77 7.373 11.334 7.184 1.00 0.00 H new ATOM 0 HG3 GLU A 77 6.049 12.286 6.541 1.00 0.00 H new ATOM 1242 N ILE A 78 5.879 9.962 2.263 1.00 0.00 N ATOM 1243 CA ILE A 78 6.414 9.220 1.119 1.00 0.00 C ATOM 1244 C ILE A 78 7.254 8.023 1.546 1.00 0.00 C ATOM 1245 O ILE A 78 8.279 7.713 0.940 1.00 0.00 O ATOM 1246 CB ILE A 78 7.221 10.138 0.178 1.00 0.00 C ATOM 1247 CG1 ILE A 78 7.756 9.345 -0.930 1.00 0.00 C ATOM 1248 CG2 ILE A 78 8.363 10.812 0.929 1.00 0.00 C ATOM 1249 CD1 ILE A 78 7.375 9.934 -2.261 1.00 0.00 C ATOM 0 H ILE A 78 5.036 10.495 2.049 1.00 0.00 H new ATOM 0 HA ILE A 78 5.553 8.837 0.571 1.00 0.00 H new ATOM 0 HB ILE A 78 6.560 10.914 -0.208 1.00 0.00 H new ATOM 0 HG12 ILE A 78 8.842 9.293 -0.851 1.00 0.00 H new ATOM 0 HG13 ILE A 78 7.382 8.323 -0.862 1.00 0.00 H new ATOM 0 HG21 ILE A 78 8.919 11.455 0.246 1.00 0.00 H new ATOM 0 HG22 ILE A 78 7.958 11.412 1.744 1.00 0.00 H new ATOM 0 HG23 ILE A 78 9.030 10.052 1.335 1.00 0.00 H new ATOM 0 HD11 ILE A 78 7.788 9.321 -3.062 1.00 0.00 H new ATOM 0 HD12 ILE A 78 6.289 9.962 -2.349 1.00 0.00 H new ATOM 0 HD13 ILE A 78 7.771 10.946 -2.338 1.00 0.00 H new ATOM 1261 N GLU A 79 6.794 7.340 2.571 1.00 0.00 N ATOM 1262 CA GLU A 79 7.477 6.166 3.059 1.00 0.00 C ATOM 1263 C GLU A 79 7.034 4.957 2.239 1.00 0.00 C ATOM 1264 O GLU A 79 7.609 3.873 2.348 1.00 0.00 O ATOM 1265 CB GLU A 79 7.177 5.941 4.538 1.00 0.00 C ATOM 1266 CG GLU A 79 5.684 5.860 4.858 1.00 0.00 C ATOM 1267 CD GLU A 79 5.357 4.727 5.805 1.00 0.00 C ATOM 1268 OE1 GLU A 79 6.235 4.347 6.607 1.00 0.00 O ATOM 1269 OE2 GLU A 79 4.221 4.225 5.752 1.00 0.00 O ATOM 0 H GLU A 79 5.946 7.580 3.084 1.00 0.00 H new ATOM 0 HA GLU A 79 8.553 6.307 2.954 1.00 0.00 H new ATOM 0 HB2 GLU A 79 7.659 5.018 4.861 1.00 0.00 H new ATOM 0 HB3 GLU A 79 7.620 6.752 5.117 1.00 0.00 H new ATOM 0 HG2 GLU A 79 5.358 6.803 5.298 1.00 0.00 H new ATOM 0 HG3 GLU A 79 5.124 5.729 3.932 1.00 0.00 H new ATOM 1276 N ILE A 80 6.024 5.171 1.407 1.00 0.00 N ATOM 1277 CA ILE A 80 5.484 4.124 0.544 1.00 0.00 C ATOM 1278 C ILE A 80 6.578 3.474 -0.199 1.00 0.00 C ATOM 1279 O ILE A 80 6.801 2.267 -0.107 1.00 0.00 O ATOM 1280 CB ILE A 80 4.407 4.706 -0.314 1.00 0.00 C ATOM 1281 CG1 ILE A 80 3.303 5.360 0.423 1.00 0.00 C ATOM 1282 CG2 ILE A 80 3.840 3.623 -1.227 1.00 0.00 C ATOM 1283 CD1 ILE A 80 2.119 5.805 -0.328 1.00 0.00 C ATOM 0 H ILE A 80 5.556 6.072 1.310 1.00 0.00 H new ATOM 0 HA ILE A 80 5.016 3.330 1.126 1.00 0.00 H new ATOM 0 HB ILE A 80 4.887 5.500 -0.886 1.00 0.00 H new ATOM 0 HG12 ILE A 80 2.965 4.668 1.194 1.00 0.00 H new ATOM 0 HG13 ILE A 80 3.716 6.229 0.934 1.00 0.00 H new ATOM 0 HG21 ILE A 80 3.055 4.048 -1.852 1.00 0.00 H new ATOM 0 HG22 ILE A 80 4.634 3.229 -1.861 1.00 0.00 H new ATOM 0 HG23 ILE A 80 3.425 2.817 -0.622 1.00 0.00 H new ATOM 0 HD11 ILE A 80 1.405 6.263 0.357 1.00 0.00 H new ATOM 0 HD12 ILE A 80 2.419 6.534 -1.081 1.00 0.00 H new ATOM 0 HD13 ILE A 80 1.655 4.948 -0.817 1.00 0.00 H new ATOM 1295 N TRP A 81 7.257 4.274 -1.022 1.00 0.00 N ATOM 1296 CA TRP A 81 8.323 3.752 -1.878 1.00 0.00 C ATOM 1297 C TRP A 81 9.293 2.888 -1.070 1.00 0.00 C ATOM 1298 O TRP A 81 9.865 1.937 -1.590 1.00 0.00 O ATOM 1299 CB TRP A 81 9.070 4.899 -2.561 1.00 0.00 C ATOM 1300 CG TRP A 81 8.161 5.900 -3.202 1.00 0.00 C ATOM 1301 CD1 TRP A 81 8.484 7.178 -3.565 1.00 0.00 C ATOM 1302 CD2 TRP A 81 6.781 5.722 -3.552 1.00 0.00 C ATOM 1303 NE1 TRP A 81 7.385 7.799 -4.121 1.00 0.00 N ATOM 1304 CE2 TRP A 81 6.338 6.927 -4.123 1.00 0.00 C ATOM 1305 CE3 TRP A 81 5.884 4.659 -3.448 1.00 0.00 C ATOM 1306 CZ2 TRP A 81 5.032 7.100 -4.576 1.00 0.00 C ATOM 1307 CZ3 TRP A 81 4.588 4.836 -3.898 1.00 0.00 C ATOM 1308 CH2 TRP A 81 4.175 6.047 -4.456 1.00 0.00 C ATOM 0 H TRP A 81 7.090 5.276 -1.114 1.00 0.00 H new ATOM 0 HA TRP A 81 7.869 3.127 -2.647 1.00 0.00 H new ATOM 0 HB2 TRP A 81 9.695 5.405 -1.825 1.00 0.00 H new ATOM 0 HB3 TRP A 81 9.738 4.488 -3.318 1.00 0.00 H new ATOM 0 HD1 TRP A 81 9.455 7.633 -3.436 1.00 0.00 H new ATOM 0 HE1 TRP A 81 7.360 8.756 -4.473 1.00 0.00 H new ATOM 0 HE3 TRP A 81 6.195 3.716 -3.024 1.00 0.00 H new ATOM 0 HZ2 TRP A 81 4.710 8.036 -5.007 1.00 0.00 H new ATOM 0 HZ3 TRP A 81 3.883 4.022 -3.816 1.00 0.00 H new ATOM 0 HH2 TRP A 81 3.156 6.152 -4.799 1.00 0.00 H new ATOM 1319 N ARG A 82 9.445 3.206 0.129 1.00 0.00 N ATOM 1320 CA ARG A 82 10.311 2.427 0.989 1.00 0.00 C ATOM 1321 C ARG A 82 9.760 1.014 1.138 1.00 0.00 C ATOM 1322 O ARG A 82 10.489 0.045 1.060 1.00 0.00 O ATOM 1323 CB ARG A 82 10.436 3.094 2.368 1.00 0.00 C ATOM 1324 CG ARG A 82 11.859 3.100 2.909 1.00 0.00 C ATOM 1325 CD ARG A 82 12.224 4.448 3.511 1.00 0.00 C ATOM 1326 NE ARG A 82 12.996 4.307 4.751 1.00 0.00 N ATOM 1327 CZ ARG A 82 13.608 5.315 5.356 1.00 0.00 C ATOM 1328 NH1 ARG A 82 13.554 6.540 4.849 1.00 0.00 N ATOM 1329 NH2 ARG A 82 14.283 5.103 6.475 1.00 0.00 N ATOM 0 H ARG A 82 8.993 4.002 0.579 1.00 0.00 H new ATOM 0 HA ARG A 82 11.301 2.376 0.537 1.00 0.00 H new ATOM 0 HB2 ARG A 82 10.076 4.121 2.301 1.00 0.00 H new ATOM 0 HB3 ARG A 82 9.789 2.575 3.075 1.00 0.00 H new ATOM 0 HG2 ARG A 82 11.964 2.323 3.666 1.00 0.00 H new ATOM 0 HG3 ARG A 82 12.555 2.859 2.106 1.00 0.00 H new ATOM 0 HD2 ARG A 82 12.802 5.023 2.788 1.00 0.00 H new ATOM 0 HD3 ARG A 82 11.314 5.013 3.713 1.00 0.00 H new ATOM 0 HE ARG A 82 13.066 3.380 5.171 1.00 0.00 H new ATOM 0 HH11 ARG A 82 13.038 6.713 3.986 1.00 0.00 H new ATOM 0 HH12 ARG A 82 14.028 7.309 5.322 1.00 0.00 H new ATOM 0 HH21 ARG A 82 14.332 4.164 6.871 1.00 0.00 H new ATOM 0 HH22 ARG A 82 14.754 5.878 6.941 1.00 0.00 H new ATOM 1343 N GLU A 83 8.447 0.932 1.344 1.00 0.00 N ATOM 1344 CA GLU A 83 7.776 -0.262 1.479 1.00 0.00 C ATOM 1345 C GLU A 83 7.756 -1.003 0.157 1.00 0.00 C ATOM 1346 O GLU A 83 7.869 -2.229 0.108 1.00 0.00 O ATOM 1347 CB GLU A 83 6.344 -0.032 1.968 1.00 0.00 C ATOM 1348 CG GLU A 83 5.870 -1.067 2.964 1.00 0.00 C ATOM 1349 CD GLU A 83 4.405 -1.404 2.807 1.00 0.00 C ATOM 1350 OE1 GLU A 83 3.564 -0.733 3.440 1.00 0.00 O ATOM 1351 OE2 GLU A 83 4.094 -2.337 2.028 1.00 0.00 O ATOM 0 H GLU A 83 7.843 1.751 1.417 1.00 0.00 H new ATOM 0 HA GLU A 83 8.301 -0.864 2.220 1.00 0.00 H new ATOM 0 HB2 GLU A 83 6.279 0.956 2.425 1.00 0.00 H new ATOM 0 HB3 GLU A 83 5.672 -0.031 1.110 1.00 0.00 H new ATOM 0 HG2 GLU A 83 6.461 -1.975 2.847 1.00 0.00 H new ATOM 0 HG3 GLU A 83 6.047 -0.700 3.975 1.00 0.00 H new ATOM 1358 N LEU A 84 7.617 -0.246 -0.830 1.00 0.00 N ATOM 1359 CA LEU A 84 7.572 -0.801 -2.177 1.00 0.00 C ATOM 1360 C LEU A 84 8.961 -1.245 -2.630 1.00 0.00 C ATOM 1361 O LEU A 84 9.088 -2.125 -3.477 1.00 0.00 O ATOM 1362 CB LEU A 84 6.990 0.138 -3.144 1.00 0.00 C ATOM 1363 CG LEU A 84 5.460 0.297 -3.078 1.00 0.00 C ATOM 1364 CD1 LEU A 84 4.783 -0.571 -4.055 1.00 0.00 C ATOM 1365 CD2 LEU A 84 4.948 0.059 -1.664 1.00 0.00 C ATOM 0 H LEU A 84 7.528 0.769 -0.776 1.00 0.00 H new ATOM 0 HA LEU A 84 6.921 -1.674 -2.140 1.00 0.00 H new ATOM 0 HB2 LEU A 84 7.446 1.116 -2.993 1.00 0.00 H new ATOM 0 HB3 LEU A 84 7.261 -0.188 -4.148 1.00 0.00 H new ATOM 0 HG LEU A 84 5.221 1.326 -3.347 1.00 0.00 H new ATOM 0 HD11 LEU A 84 3.705 -0.432 -3.979 1.00 0.00 H new ATOM 0 HD12 LEU A 84 5.113 -0.312 -5.061 1.00 0.00 H new ATOM 0 HD13 LEU A 84 5.030 -1.612 -3.849 1.00 0.00 H new ATOM 0 HD21 LEU A 84 3.865 0.177 -1.645 1.00 0.00 H new ATOM 0 HD22 LEU A 84 5.208 -0.951 -1.348 1.00 0.00 H new ATOM 0 HD23 LEU A 84 5.404 0.780 -0.986 1.00 0.00 H new ATOM 1377 N THR A 85 9.995 -0.657 -2.039 1.00 0.00 N ATOM 1378 CA THR A 85 11.358 -1.033 -2.378 1.00 0.00 C ATOM 1379 C THR A 85 11.704 -2.382 -1.770 1.00 0.00 C ATOM 1380 O THR A 85 12.493 -3.148 -2.321 1.00 0.00 O ATOM 1381 CB THR A 85 12.352 0.010 -1.925 1.00 0.00 C ATOM 1382 OG1 THR A 85 13.582 -0.082 -2.629 1.00 0.00 O ATOM 1383 CG2 THR A 85 12.691 -0.006 -0.450 1.00 0.00 C ATOM 0 H THR A 85 9.916 0.073 -1.331 1.00 0.00 H new ATOM 0 HA THR A 85 11.418 -1.105 -3.464 1.00 0.00 H new ATOM 0 HB THR A 85 11.827 0.940 -2.142 1.00 0.00 H new ATOM 0 HG1 THR A 85 14.196 0.611 -2.307 1.00 0.00 H new ATOM 0 HG21 THR A 85 13.412 0.782 -0.234 1.00 0.00 H new ATOM 0 HG22 THR A 85 11.785 0.161 0.133 1.00 0.00 H new ATOM 0 HG23 THR A 85 13.120 -0.973 -0.186 1.00 0.00 H new ATOM 1391 N ALA A 86 11.083 -2.676 -0.622 1.00 0.00 N ATOM 1392 CA ALA A 86 11.296 -3.941 0.018 1.00 0.00 C ATOM 1393 C ALA A 86 10.304 -4.996 -0.426 1.00 0.00 C ATOM 1394 O ALA A 86 10.589 -6.189 -0.435 1.00 0.00 O ATOM 1395 CB ALA A 86 11.166 -3.757 1.478 1.00 0.00 C ATOM 0 H ALA A 86 10.440 -2.051 -0.136 1.00 0.00 H new ATOM 0 HA ALA A 86 12.291 -4.288 -0.260 1.00 0.00 H new ATOM 0 HB1 ALA A 86 11.325 -4.711 1.981 1.00 0.00 H new ATOM 0 HB2 ALA A 86 11.909 -3.037 1.822 1.00 0.00 H new ATOM 0 HB3 ALA A 86 10.168 -3.387 1.711 1.00 0.00 H new ATOM 1401 N LYS A 87 9.119 -4.537 -0.855 1.00 0.00 N ATOM 1402 CA LYS A 87 8.081 -5.424 -1.362 1.00 0.00 C ATOM 1403 C LYS A 87 7.542 -4.906 -2.682 1.00 0.00 C ATOM 1404 O LYS A 87 7.340 -3.709 -2.860 1.00 0.00 O ATOM 1405 CB LYS A 87 6.952 -5.552 -0.339 1.00 0.00 C ATOM 1406 CG LYS A 87 6.415 -6.967 -0.198 1.00 0.00 C ATOM 1407 CD LYS A 87 7.506 -7.931 0.184 1.00 0.00 C ATOM 1408 CE LYS A 87 7.756 -9.010 -0.801 1.00 0.00 C ATOM 1409 NZ LYS A 87 8.947 -8.705 -1.642 1.00 0.00 N ATOM 0 H LYS A 87 8.862 -3.550 -0.858 1.00 0.00 H new ATOM 0 HA LYS A 87 8.514 -6.410 -1.529 1.00 0.00 H new ATOM 0 HB2 LYS A 87 7.312 -5.211 0.632 1.00 0.00 H new ATOM 0 HB3 LYS A 87 6.136 -4.890 -0.627 1.00 0.00 H new ATOM 0 HG2 LYS A 87 5.629 -6.986 0.557 1.00 0.00 H new ATOM 0 HG3 LYS A 87 5.962 -7.282 -1.138 1.00 0.00 H new ATOM 0 HD2 LYS A 87 8.430 -7.372 0.332 1.00 0.00 H new ATOM 0 HD3 LYS A 87 7.251 -8.385 1.142 1.00 0.00 H new ATOM 0 HE2 LYS A 87 7.908 -9.955 -0.279 1.00 0.00 H new ATOM 0 HE3 LYS A 87 6.880 -9.135 -1.438 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 9.451 -9.587 -1.863 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 8.641 -8.251 -2.526 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 9.582 -8.064 -1.125 1.00 0.00 H new ATOM 1423 N TYR A 88 7.330 -5.816 -3.632 1.00 0.00 N ATOM 1424 CA TYR A 88 6.823 -5.448 -4.950 1.00 0.00 C ATOM 1425 C TYR A 88 7.901 -4.728 -5.760 1.00 0.00 C ATOM 1426 O TYR A 88 7.625 -4.175 -6.827 1.00 0.00 O ATOM 1427 CB TYR A 88 5.584 -4.560 -4.840 1.00 0.00 C ATOM 1428 CG TYR A 88 4.707 -4.864 -3.639 1.00 0.00 C ATOM 1429 CD1 TYR A 88 4.562 -6.167 -3.171 1.00 0.00 C ATOM 1430 CD2 TYR A 88 4.033 -3.849 -2.963 1.00 0.00 C ATOM 1431 CE1 TYR A 88 3.771 -6.446 -2.066 1.00 0.00 C ATOM 1432 CE2 TYR A 88 3.243 -4.118 -1.873 1.00 0.00 C ATOM 1433 CZ TYR A 88 3.111 -5.419 -1.433 1.00 0.00 C ATOM 1434 OH TYR A 88 2.316 -5.696 -0.331 1.00 0.00 O ATOM 0 H TYR A 88 7.502 -6.814 -3.512 1.00 0.00 H new ATOM 0 HA TYR A 88 6.544 -6.369 -5.463 1.00 0.00 H new ATOM 0 HB2 TYR A 88 5.900 -3.518 -4.791 1.00 0.00 H new ATOM 0 HB3 TYR A 88 4.990 -4.670 -5.747 1.00 0.00 H new ATOM 0 HD1 TYR A 88 5.073 -6.973 -3.676 1.00 0.00 H new ATOM 0 HD2 TYR A 88 4.134 -2.829 -3.304 1.00 0.00 H new ATOM 0 HE1 TYR A 88 3.675 -7.460 -1.706 1.00 0.00 H new ATOM 0 HE2 TYR A 88 2.728 -3.317 -1.363 1.00 0.00 H new ATOM 0 HH TYR A 88 1.809 -6.519 -0.492 1.00 0.00 H new ATOM 1444 N ASP A 89 9.133 -4.754 -5.260 1.00 0.00 N ATOM 1445 CA ASP A 89 10.248 -4.112 -5.948 1.00 0.00 C ATOM 1446 C ASP A 89 10.515 -4.767 -7.300 1.00 0.00 C ATOM 1447 O ASP A 89 10.504 -4.098 -8.335 1.00 0.00 O ATOM 1448 CB ASP A 89 11.507 -4.164 -5.076 1.00 0.00 C ATOM 1449 CG ASP A 89 12.339 -2.900 -5.174 1.00 0.00 C ATOM 1450 OD1 ASP A 89 11.766 -1.851 -5.546 1.00 0.00 O ATOM 1451 OD2 ASP A 89 13.544 -2.960 -4.866 1.00 0.00 O ATOM 0 H ASP A 89 9.384 -5.211 -4.383 1.00 0.00 H new ATOM 0 HA ASP A 89 9.980 -3.071 -6.126 1.00 0.00 H new ATOM 0 HB2 ASP A 89 11.218 -4.324 -4.037 1.00 0.00 H new ATOM 0 HB3 ASP A 89 12.115 -5.018 -5.373 1.00 0.00 H new ATOM 1456 N PRO A 90 10.772 -6.093 -7.311 1.00 0.00 N ATOM 1457 CA PRO A 90 11.051 -6.833 -8.549 1.00 0.00 C ATOM 1458 C PRO A 90 10.059 -6.495 -9.666 1.00 0.00 C ATOM 1459 O PRO A 90 10.415 -6.528 -10.846 1.00 0.00 O ATOM 1460 CB PRO A 90 10.911 -8.309 -8.141 1.00 0.00 C ATOM 1461 CG PRO A 90 10.413 -8.304 -6.727 1.00 0.00 C ATOM 1462 CD PRO A 90 10.821 -6.986 -6.145 1.00 0.00 C ATOM 0 HA PRO A 90 12.034 -6.584 -8.950 1.00 0.00 H new ATOM 0 HB2 PRO A 90 10.215 -8.830 -8.798 1.00 0.00 H new ATOM 0 HB3 PRO A 90 11.867 -8.826 -8.216 1.00 0.00 H new ATOM 0 HG2 PRO A 90 9.330 -8.425 -6.695 1.00 0.00 H new ATOM 0 HG3 PRO A 90 10.843 -9.130 -6.160 1.00 0.00 H new ATOM 0 HD2 PRO A 90 10.140 -6.662 -5.357 1.00 0.00 H new ATOM 0 HD3 PRO A 90 11.818 -7.027 -5.707 1.00 0.00 H new ATOM 1470 N THR A 91 8.832 -6.159 -9.282 1.00 0.00 N ATOM 1471 CA THR A 91 7.807 -5.805 -10.278 1.00 0.00 C ATOM 1472 C THR A 91 8.272 -4.639 -11.137 1.00 0.00 C ATOM 1473 O THR A 91 8.449 -4.772 -12.347 1.00 0.00 O ATOM 1474 CB THR A 91 6.487 -5.457 -9.578 1.00 0.00 C ATOM 1475 OG1 THR A 91 6.541 -4.154 -9.026 1.00 0.00 O ATOM 1476 CG2 THR A 91 6.130 -6.413 -8.465 1.00 0.00 C ATOM 0 H THR A 91 8.520 -6.122 -8.312 1.00 0.00 H new ATOM 0 HA THR A 91 7.645 -6.666 -10.927 1.00 0.00 H new ATOM 0 HB THR A 91 5.723 -5.526 -10.352 1.00 0.00 H new ATOM 0 HG1 THR A 91 6.607 -4.215 -8.050 1.00 0.00 H new ATOM 0 HG21 THR A 91 5.186 -6.109 -8.013 1.00 0.00 H new ATOM 0 HG22 THR A 91 6.031 -7.421 -8.869 1.00 0.00 H new ATOM 0 HG23 THR A 91 6.915 -6.401 -7.709 1.00 0.00 H new ATOM 1484 N GLY A 92 8.486 -3.488 -10.504 1.00 0.00 N ATOM 1485 CA GLY A 92 8.944 -2.311 -11.218 1.00 0.00 C ATOM 1486 C GLY A 92 8.134 -2.034 -12.476 1.00 0.00 C ATOM 1487 O GLY A 92 8.679 -2.048 -13.584 1.00 0.00 O ATOM 0 H GLY A 92 8.349 -3.351 -9.503 1.00 0.00 H new ATOM 0 HA2 GLY A 92 8.888 -1.446 -10.557 1.00 0.00 H new ATOM 0 HA3 GLY A 92 9.992 -2.440 -11.487 1.00 0.00 H new ATOM 1491 N ASN A 93 6.846 -1.785 -12.309 1.00 0.00 N ATOM 1492 CA ASN A 93 5.978 -1.502 -13.436 1.00 0.00 C ATOM 1493 C ASN A 93 4.741 -0.712 -12.992 1.00 0.00 C ATOM 1494 O ASN A 93 4.379 0.210 -13.603 1.00 0.00 O ATOM 1495 CB ASN A 93 5.535 -2.802 -14.111 1.00 0.00 C ATOM 1496 CG ASN A 93 4.976 -2.585 -15.503 1.00 0.00 C ATOM 1497 OD1 ASN A 93 5.701 -2.167 -16.413 1.00 0.00 O ATOM 1498 ND2 ASN A 93 3.696 -2.856 -15.678 1.00 0.00 N ATOM 0 H ASN A 93 6.379 -1.773 -11.402 1.00 0.00 H new ATOM 0 HA ASN A 93 6.544 -0.900 -14.147 1.00 0.00 H new ATOM 0 HB2 ASN A 93 6.384 -3.483 -14.168 1.00 0.00 H new ATOM 0 HB3 ASN A 93 4.779 -3.287 -13.493 1.00 0.00 H new ATOM 0 HD21 ASN A 93 3.267 -2.722 -16.594 1.00 0.00 H new ATOM 0 HD22 ASN A 93 3.136 -3.199 -14.898 1.00 0.00 H new ATOM 1505 N TRP A 94 4.112 -1.179 -11.913 1.00 0.00 N ATOM 1506 CA TRP A 94 2.929 -0.522 -11.373 1.00 0.00 C ATOM 1507 C TRP A 94 3.326 0.454 -10.361 1.00 0.00 C ATOM 1508 O TRP A 94 2.652 1.486 -10.215 1.00 0.00 O ATOM 1509 CB TRP A 94 1.993 -1.554 -10.745 1.00 0.00 C ATOM 1510 CG TRP A 94 1.987 -2.862 -11.491 1.00 0.00 C ATOM 1511 CD1 TRP A 94 2.873 -3.897 -11.336 1.00 0.00 C ATOM 1512 CD2 TRP A 94 1.065 -3.263 -12.508 1.00 0.00 C ATOM 1513 NE1 TRP A 94 2.549 -4.915 -12.191 1.00 0.00 N ATOM 1514 CE2 TRP A 94 1.439 -4.555 -12.929 1.00 0.00 C ATOM 1515 CE3 TRP A 94 0.007 -2.662 -13.099 1.00 0.00 C ATOM 1516 CZ2 TRP A 94 0.750 -5.247 -13.903 1.00 0.00 C ATOM 1517 CZ3 TRP A 94 -0.656 -3.355 -14.078 1.00 0.00 C ATOM 1518 CH2 TRP A 94 -0.269 -4.636 -14.473 1.00 0.00 C ATOM 0 H TRP A 94 4.405 -2.010 -11.398 1.00 0.00 H new ATOM 0 HA TRP A 94 2.407 -0.015 -12.185 1.00 0.00 H new ATOM 0 HB2 TRP A 94 2.294 -1.731 -9.712 1.00 0.00 H new ATOM 0 HB3 TRP A 94 0.981 -1.151 -10.718 1.00 0.00 H new ATOM 0 HD1 TRP A 94 3.702 -3.907 -10.643 1.00 0.00 H new ATOM 0 HE1 TRP A 94 3.049 -5.801 -12.271 1.00 0.00 H new ATOM 0 HE3 TRP A 94 -0.305 -1.669 -12.809 1.00 0.00 H new ATOM 0 HZ2 TRP A 94 1.034 -6.249 -14.187 1.00 0.00 H new ATOM 0 HZ3 TRP A 94 -1.506 -2.894 -14.560 1.00 0.00 H new ATOM 0 HH2 TRP A 94 -0.814 -5.136 -15.260 1.00 0.00 H new ATOM 1529 N ARG A 95 4.423 0.210 -9.659 1.00 0.00 N ATOM 1530 CA ARG A 95 4.914 1.158 -8.670 1.00 0.00 C ATOM 1531 C ARG A 95 5.212 2.500 -9.321 1.00 0.00 C ATOM 1532 O ARG A 95 5.127 3.549 -8.675 1.00 0.00 O ATOM 1533 CB ARG A 95 6.184 0.613 -7.989 1.00 0.00 C ATOM 1534 CG ARG A 95 6.636 1.442 -6.797 1.00 0.00 C ATOM 1535 CD ARG A 95 8.147 1.459 -6.694 1.00 0.00 C ATOM 1536 NE ARG A 95 8.727 2.634 -7.342 1.00 0.00 N ATOM 1537 CZ ARG A 95 10.033 2.776 -7.588 1.00 0.00 C ATOM 1538 NH1 ARG A 95 10.889 1.823 -7.250 1.00 0.00 N ATOM 1539 NH2 ARG A 95 10.473 3.871 -8.193 1.00 0.00 N ATOM 0 H ARG A 95 4.988 -0.634 -9.755 1.00 0.00 H new ATOM 0 HA ARG A 95 4.140 1.297 -7.915 1.00 0.00 H new ATOM 0 HB2 ARG A 95 6.000 -0.410 -7.661 1.00 0.00 H new ATOM 0 HB3 ARG A 95 6.991 0.573 -8.721 1.00 0.00 H new ATOM 0 HG2 ARG A 95 6.262 2.461 -6.895 1.00 0.00 H new ATOM 0 HG3 ARG A 95 6.209 1.033 -5.881 1.00 0.00 H new ATOM 0 HD2 ARG A 95 8.439 1.443 -5.644 1.00 0.00 H new ATOM 0 HD3 ARG A 95 8.552 0.556 -7.151 1.00 0.00 H new ATOM 0 HE ARG A 95 8.100 3.388 -7.622 1.00 0.00 H new ATOM 0 HH11 ARG A 95 10.553 0.972 -6.798 1.00 0.00 H new ATOM 0 HH12 ARG A 95 11.884 1.940 -7.442 1.00 0.00 H new ATOM 0 HH21 ARG A 95 9.816 4.601 -8.469 1.00 0.00 H new ATOM 0 HH22 ARG A 95 11.469 3.984 -8.383 1.00 0.00 H new ATOM 1553 N LYS A 96 5.539 2.464 -10.613 1.00 0.00 N ATOM 1554 CA LYS A 96 5.838 3.679 -11.352 1.00 0.00 C ATOM 1555 C LYS A 96 4.589 4.552 -11.445 1.00 0.00 C ATOM 1556 O LYS A 96 4.686 5.780 -11.511 1.00 0.00 O ATOM 1557 CB LYS A 96 6.350 3.350 -12.747 1.00 0.00 C ATOM 1558 CG LYS A 96 6.689 4.572 -13.582 1.00 0.00 C ATOM 1559 CD LYS A 96 7.605 4.222 -14.753 1.00 0.00 C ATOM 1560 CE LYS A 96 6.810 3.770 -15.956 1.00 0.00 C ATOM 1561 NZ LYS A 96 6.623 4.866 -16.949 1.00 0.00 N ATOM 0 H LYS A 96 5.602 1.607 -11.163 1.00 0.00 H new ATOM 0 HA LYS A 96 6.618 4.224 -10.820 1.00 0.00 H new ATOM 0 HB2 LYS A 96 7.238 2.724 -12.659 1.00 0.00 H new ATOM 0 HB3 LYS A 96 5.596 2.762 -13.271 1.00 0.00 H new ATOM 0 HG2 LYS A 96 5.770 5.020 -13.960 1.00 0.00 H new ATOM 0 HG3 LYS A 96 7.173 5.319 -12.953 1.00 0.00 H new ATOM 0 HD2 LYS A 96 8.208 5.091 -15.018 1.00 0.00 H new ATOM 0 HD3 LYS A 96 8.296 3.434 -14.454 1.00 0.00 H new ATOM 0 HE2 LYS A 96 7.319 2.933 -16.433 1.00 0.00 H new ATOM 0 HE3 LYS A 96 5.835 3.407 -15.630 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 6.073 4.512 -17.757 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 6.114 5.656 -16.503 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 7.552 5.196 -17.281 1.00 0.00 H new ATOM 1575 N LYS A 97 3.428 3.922 -11.429 1.00 0.00 N ATOM 1576 CA LYS A 97 2.171 4.656 -11.488 1.00 0.00 C ATOM 1577 C LYS A 97 1.977 5.425 -10.187 1.00 0.00 C ATOM 1578 O LYS A 97 1.752 6.637 -10.189 1.00 0.00 O ATOM 1579 CB LYS A 97 1.002 3.698 -11.723 1.00 0.00 C ATOM 1580 CG LYS A 97 -0.267 4.252 -11.307 1.00 0.00 C ATOM 1581 CD LYS A 97 -1.410 3.414 -11.872 1.00 0.00 C ATOM 1582 CE LYS A 97 -1.931 2.413 -10.855 1.00 0.00 C ATOM 1583 NZ LYS A 97 -3.258 1.874 -11.241 1.00 0.00 N ATOM 0 H LYS A 97 3.326 2.908 -11.376 1.00 0.00 H new ATOM 0 HA LYS A 97 2.203 5.359 -12.320 1.00 0.00 H new ATOM 0 HB2 LYS A 97 0.953 3.444 -12.782 1.00 0.00 H new ATOM 0 HB3 LYS A 97 1.184 2.770 -11.181 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -0.325 4.275 -10.219 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -0.355 5.282 -11.652 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -2.222 4.070 -12.185 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -1.068 2.884 -12.761 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -1.220 1.592 -10.756 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -2.003 2.892 -9.878 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -3.579 1.195 -10.522 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -3.943 2.654 -11.311 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -3.184 1.395 -12.161 1.00 0.00 H new ATOM 1597 N TYR A 98 2.077 4.709 -9.064 1.00 0.00 N ATOM 1598 CA TYR A 98 1.934 5.330 -7.760 1.00 0.00 C ATOM 1599 C TYR A 98 3.003 6.402 -7.554 1.00 0.00 C ATOM 1600 O TYR A 98 2.751 7.429 -6.933 1.00 0.00 O ATOM 1601 CB TYR A 98 2.055 4.280 -6.658 1.00 0.00 C ATOM 1602 CG TYR A 98 0.830 3.411 -6.457 1.00 0.00 C ATOM 1603 CD1 TYR A 98 -0.359 3.914 -6.638 1.00 0.00 C ATOM 1604 CD2 TYR A 98 0.972 2.088 -6.052 1.00 0.00 C ATOM 1605 CE1 TYR A 98 -1.478 3.119 -6.433 1.00 0.00 C ATOM 1606 CE2 TYR A 98 -0.088 1.292 -5.838 1.00 0.00 C ATOM 1607 CZ TYR A 98 -1.315 1.815 -6.035 1.00 0.00 C ATOM 1608 OH TYR A 98 -2.412 1.022 -5.818 1.00 0.00 O ATOM 0 H TYR A 98 2.255 3.705 -9.039 1.00 0.00 H new ATOM 0 HA TYR A 98 0.949 5.795 -7.713 1.00 0.00 H new ATOM 0 HB2 TYR A 98 2.905 3.636 -6.884 1.00 0.00 H new ATOM 0 HB3 TYR A 98 2.280 4.786 -5.719 1.00 0.00 H new ATOM 0 HD1 TYR A 98 -0.473 4.943 -6.946 1.00 0.00 H new ATOM 0 HD2 TYR A 98 1.965 1.689 -5.905 1.00 0.00 H new ATOM 0 HE1 TYR A 98 -2.468 3.522 -6.585 1.00 0.00 H new ATOM 0 HE2 TYR A 98 0.038 0.268 -5.519 1.00 0.00 H new ATOM 0 HH TYR A 98 -3.144 1.310 -6.402 1.00 0.00 H new ATOM 1618 N GLU A 99 4.214 6.146 -8.085 1.00 0.00 N ATOM 1619 CA GLU A 99 5.304 7.092 -7.958 1.00 0.00 C ATOM 1620 C GLU A 99 5.184 8.220 -8.976 1.00 0.00 C ATOM 1621 O GLU A 99 5.630 9.336 -8.738 1.00 0.00 O ATOM 1622 CB GLU A 99 6.654 6.372 -8.105 1.00 0.00 C ATOM 1623 CG GLU A 99 7.177 6.291 -9.536 1.00 0.00 C ATOM 1624 CD GLU A 99 8.113 7.425 -9.876 1.00 0.00 C ATOM 1625 OE1 GLU A 99 8.941 7.794 -9.029 1.00 0.00 O ATOM 1626 OE2 GLU A 99 7.997 7.960 -11.011 1.00 0.00 O ATOM 0 H GLU A 99 4.446 5.296 -8.599 1.00 0.00 H new ATOM 0 HA GLU A 99 5.249 7.537 -6.965 1.00 0.00 H new ATOM 0 HB2 GLU A 99 7.394 6.885 -7.490 1.00 0.00 H new ATOM 0 HB3 GLU A 99 6.557 5.361 -7.710 1.00 0.00 H new ATOM 0 HG2 GLU A 99 7.695 5.342 -9.677 1.00 0.00 H new ATOM 0 HG3 GLU A 99 6.335 6.300 -10.228 1.00 0.00 H new ATOM 1633 N ASP A 100 4.548 7.927 -10.115 1.00 0.00 N ATOM 1634 CA ASP A 100 4.350 8.923 -11.160 1.00 0.00 C ATOM 1635 C ASP A 100 3.695 10.166 -10.577 1.00 0.00 C ATOM 1636 O ASP A 100 4.107 11.296 -10.868 1.00 0.00 O ATOM 1637 CB ASP A 100 3.511 8.351 -12.291 1.00 0.00 C ATOM 1638 CG ASP A 100 3.242 9.369 -13.385 1.00 0.00 C ATOM 1639 OD1 ASP A 100 2.368 10.244 -13.182 1.00 0.00 O ATOM 1640 OD2 ASP A 100 3.888 9.281 -14.442 1.00 0.00 O ATOM 0 H ASP A 100 4.164 7.007 -10.332 1.00 0.00 H new ATOM 0 HA ASP A 100 5.321 9.201 -11.569 1.00 0.00 H new ATOM 0 HB2 ASP A 100 4.022 7.489 -12.719 1.00 0.00 H new ATOM 0 HB3 ASP A 100 2.563 7.993 -11.891 1.00 0.00 H new ATOM 1645 N ARG A 101 2.669 9.952 -9.756 1.00 0.00 N ATOM 1646 CA ARG A 101 1.951 11.050 -9.127 1.00 0.00 C ATOM 1647 C ARG A 101 2.908 11.899 -8.291 1.00 0.00 C ATOM 1648 O ARG A 101 2.871 13.127 -8.335 1.00 0.00 O ATOM 1649 CB ARG A 101 0.826 10.526 -8.255 1.00 0.00 C ATOM 1650 CG ARG A 101 -0.392 11.276 -8.460 1.00 0.00 C ATOM 1651 CD ARG A 101 -1.148 11.459 -7.160 1.00 0.00 C ATOM 1652 NE ARG A 101 -2.172 12.498 -7.252 1.00 0.00 N ATOM 1653 CZ ARG A 101 -2.713 13.107 -6.203 1.00 0.00 C ATOM 1654 NH1 ARG A 101 -2.335 12.790 -4.972 1.00 0.00 N ATOM 1655 NH2 ARG A 101 -3.638 14.041 -6.384 1.00 0.00 N ATOM 0 H ARG A 101 2.318 9.026 -9.513 1.00 0.00 H new ATOM 0 HA ARG A 101 1.520 11.671 -9.913 1.00 0.00 H new ATOM 0 HB2 ARG A 101 0.650 9.474 -8.479 1.00 0.00 H new ATOM 0 HB3 ARG A 101 1.119 10.584 -7.207 1.00 0.00 H new ATOM 0 HG2 ARG A 101 -0.155 12.251 -8.886 1.00 0.00 H new ATOM 0 HG3 ARG A 101 -1.024 10.758 -9.182 1.00 0.00 H new ATOM 0 HD2 ARG A 101 -1.616 10.515 -6.879 1.00 0.00 H new ATOM 0 HD3 ARG A 101 -0.445 11.715 -6.367 1.00 0.00 H new ATOM 0 HE ARG A 101 -2.491 12.773 -8.181 1.00 0.00 H new ATOM 0 HH11 ARG A 101 -1.624 12.074 -4.825 1.00 0.00 H new ATOM 0 HH12 ARG A 101 -2.755 13.263 -4.172 1.00 0.00 H new ATOM 0 HH21 ARG A 101 -3.933 14.291 -7.328 1.00 0.00 H new ATOM 0 HH22 ARG A 101 -4.054 14.509 -5.579 1.00 0.00 H new ATOM 1669 N ALA A 102 3.754 11.226 -7.519 1.00 0.00 N ATOM 1670 CA ALA A 102 4.709 11.908 -6.675 1.00 0.00 C ATOM 1671 C ALA A 102 5.631 12.809 -7.493 1.00 0.00 C ATOM 1672 O ALA A 102 6.317 13.678 -6.954 1.00 0.00 O ATOM 1673 CB ALA A 102 5.539 10.885 -5.885 1.00 0.00 C ATOM 0 H ALA A 102 3.792 10.208 -7.465 1.00 0.00 H new ATOM 0 HA ALA A 102 4.153 12.537 -5.980 1.00 0.00 H new ATOM 0 HB1 ALA A 102 6.256 11.409 -5.252 1.00 0.00 H new ATOM 0 HB2 ALA A 102 4.877 10.283 -5.262 1.00 0.00 H new ATOM 0 HB3 ALA A 102 6.074 10.237 -6.579 1.00 0.00 H new ATOM 1679 N LYS A 103 5.630 12.609 -8.813 1.00 0.00 N ATOM 1680 CA LYS A 103 6.452 13.409 -9.698 1.00 0.00 C ATOM 1681 C LYS A 103 5.727 14.702 -10.048 1.00 0.00 C ATOM 1682 O LYS A 103 6.334 15.771 -10.122 1.00 0.00 O ATOM 1683 CB LYS A 103 6.793 12.634 -10.976 1.00 0.00 C ATOM 1684 CG LYS A 103 8.161 12.969 -11.540 1.00 0.00 C ATOM 1685 CD LYS A 103 8.064 13.994 -12.659 1.00 0.00 C ATOM 1686 CE LYS A 103 8.082 13.327 -14.024 1.00 0.00 C ATOM 1687 NZ LYS A 103 6.798 12.625 -14.314 1.00 0.00 N ATOM 0 H LYS A 103 5.068 11.900 -9.283 1.00 0.00 H new ATOM 0 HA LYS A 103 7.384 13.646 -9.184 1.00 0.00 H new ATOM 0 HB2 LYS A 103 6.747 11.565 -10.767 1.00 0.00 H new ATOM 0 HB3 LYS A 103 6.036 12.844 -11.732 1.00 0.00 H new ATOM 0 HG2 LYS A 103 8.799 13.355 -10.745 1.00 0.00 H new ATOM 0 HG3 LYS A 103 8.634 12.061 -11.916 1.00 0.00 H new ATOM 0 HD2 LYS A 103 7.147 14.572 -12.547 1.00 0.00 H new ATOM 0 HD3 LYS A 103 8.894 14.696 -12.584 1.00 0.00 H new ATOM 0 HE2 LYS A 103 8.268 14.077 -14.793 1.00 0.00 H new ATOM 0 HE3 LYS A 103 8.905 12.613 -14.069 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 6.849 12.183 -15.254 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 6.633 11.892 -13.595 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 6.016 13.310 -14.296 1.00 0.00 H new ATOM 1701 N ALA A 104 4.423 14.594 -10.269 1.00 0.00 N ATOM 1702 CA ALA A 104 3.606 15.750 -10.597 1.00 0.00 C ATOM 1703 C ALA A 104 3.426 16.639 -9.377 1.00 0.00 C ATOM 1704 O ALA A 104 3.324 17.864 -9.496 1.00 0.00 O ATOM 1705 CB ALA A 104 2.254 15.309 -11.140 1.00 0.00 C ATOM 0 H ALA A 104 3.909 13.714 -10.226 1.00 0.00 H new ATOM 0 HA ALA A 104 4.117 16.325 -11.369 1.00 0.00 H new ATOM 0 HB1 ALA A 104 1.655 16.187 -11.381 1.00 0.00 H new ATOM 0 HB2 ALA A 104 2.401 14.712 -12.040 1.00 0.00 H new ATOM 0 HB3 ALA A 104 1.737 14.712 -10.389 1.00 0.00 H new ATOM 1711 N ALA A 105 3.396 16.024 -8.198 1.00 0.00 N ATOM 1712 CA ALA A 105 3.226 16.758 -6.955 1.00 0.00 C ATOM 1713 C ALA A 105 4.581 17.225 -6.405 1.00 0.00 C ATOM 1714 O ALA A 105 4.704 18.344 -5.928 1.00 0.00 O ATOM 1715 CB ALA A 105 2.516 15.889 -5.922 1.00 0.00 C ATOM 0 H ALA A 105 3.488 15.015 -8.081 1.00 0.00 H new ATOM 0 HA ALA A 105 2.616 17.638 -7.161 1.00 0.00 H new ATOM 0 HB1 ALA A 105 2.395 16.451 -4.996 1.00 0.00 H new ATOM 0 HB2 ALA A 105 1.536 15.600 -6.302 1.00 0.00 H new ATOM 0 HB3 ALA A 105 3.109 14.995 -5.729 1.00 0.00 H new ATOM 1721 N GLY A 106 5.580 16.345 -6.483 1.00 0.00 N ATOM 1722 CA GLY A 106 6.891 16.677 -5.988 1.00 0.00 C ATOM 1723 C GLY A 106 7.314 15.791 -4.838 1.00 0.00 C ATOM 1724 O GLY A 106 8.492 15.499 -4.657 1.00 0.00 O ATOM 0 H GLY A 106 5.496 15.410 -6.882 1.00 0.00 H new ATOM 0 HA2 GLY A 106 7.615 16.588 -6.798 1.00 0.00 H new ATOM 0 HA3 GLY A 106 6.901 17.718 -5.664 1.00 0.00 H new ATOM 1728 N ILE A 107 6.328 15.358 -4.059 1.00 0.00 N ATOM 1729 CA ILE A 107 6.587 14.493 -2.909 1.00 0.00 C ATOM 1730 C ILE A 107 7.244 13.192 -3.347 1.00 0.00 C ATOM 1731 O ILE A 107 6.587 12.282 -3.834 1.00 0.00 O ATOM 1732 CB ILE A 107 5.268 14.176 -2.149 1.00 0.00 C ATOM 1733 CG1 ILE A 107 5.474 13.035 -1.154 1.00 0.00 C ATOM 1734 CG2 ILE A 107 4.158 13.833 -3.126 1.00 0.00 C ATOM 1735 CD1 ILE A 107 6.579 13.307 -0.167 1.00 0.00 C ATOM 0 H ILE A 107 5.345 15.590 -4.201 1.00 0.00 H new ATOM 0 HA ILE A 107 7.264 15.026 -2.241 1.00 0.00 H new ATOM 0 HB ILE A 107 4.976 15.066 -1.592 1.00 0.00 H new ATOM 0 HG12 ILE A 107 4.545 12.861 -0.612 1.00 0.00 H new ATOM 0 HG13 ILE A 107 5.700 12.120 -1.701 1.00 0.00 H new ATOM 0 HG21 ILE A 107 3.243 13.614 -2.575 1.00 0.00 H new ATOM 0 HG22 ILE A 107 3.987 14.678 -3.793 1.00 0.00 H new ATOM 0 HG23 ILE A 107 4.446 12.960 -3.712 1.00 0.00 H new ATOM 0 HD11 ILE A 107 6.676 12.460 0.513 1.00 0.00 H new ATOM 0 HD12 ILE A 107 7.517 13.453 -0.702 1.00 0.00 H new ATOM 0 HD13 ILE A 107 6.344 14.205 0.404 1.00 0.00 H new ATOM 1747 N VAL A 108 8.556 13.111 -3.152 1.00 0.00 N ATOM 1748 CA VAL A 108 9.315 11.922 -3.510 1.00 0.00 C ATOM 1749 C VAL A 108 10.084 11.401 -2.311 1.00 0.00 C ATOM 1750 O VAL A 108 10.307 12.119 -1.339 1.00 0.00 O ATOM 1751 CB VAL A 108 10.285 12.176 -4.675 1.00 0.00 C ATOM 1752 CG1 VAL A 108 10.769 10.860 -5.260 1.00 0.00 C ATOM 1753 CG2 VAL A 108 9.632 13.030 -5.751 1.00 0.00 C ATOM 0 H VAL A 108 9.117 13.860 -2.746 1.00 0.00 H new ATOM 0 HA VAL A 108 8.593 11.174 -3.836 1.00 0.00 H new ATOM 0 HB VAL A 108 11.145 12.721 -4.287 1.00 0.00 H new ATOM 0 HG11 VAL A 108 11.455 11.058 -6.084 1.00 0.00 H new ATOM 0 HG12 VAL A 108 11.284 10.287 -4.489 1.00 0.00 H new ATOM 0 HG13 VAL A 108 9.916 10.290 -5.627 1.00 0.00 H new ATOM 0 HG21 VAL A 108 10.339 13.195 -6.564 1.00 0.00 H new ATOM 0 HG22 VAL A 108 8.750 12.518 -6.136 1.00 0.00 H new ATOM 0 HG23 VAL A 108 9.338 13.990 -5.325 1.00 0.00 H new ATOM 1763 N ILE A 109 10.502 10.135 -2.382 1.00 0.00 N ATOM 1764 CA ILE A 109 11.249 9.510 -1.290 1.00 0.00 C ATOM 1765 C ILE A 109 12.367 10.441 -0.788 1.00 0.00 C ATOM 1766 O ILE A 109 13.089 11.029 -1.587 1.00 0.00 O ATOM 1767 CB ILE A 109 11.841 8.152 -1.717 1.00 0.00 C ATOM 1768 CG1 ILE A 109 12.162 7.298 -0.489 1.00 0.00 C ATOM 1769 CG2 ILE A 109 13.090 8.338 -2.578 1.00 0.00 C ATOM 1770 CD1 ILE A 109 10.929 6.883 0.202 1.00 0.00 C ATOM 0 H ILE A 109 10.336 9.525 -3.182 1.00 0.00 H new ATOM 0 HA ILE A 109 10.547 9.333 -0.475 1.00 0.00 H new ATOM 0 HB ILE A 109 11.093 7.635 -2.318 1.00 0.00 H new ATOM 0 HG12 ILE A 109 12.727 6.417 -0.792 1.00 0.00 H new ATOM 0 HG13 ILE A 109 12.795 7.863 0.196 1.00 0.00 H new ATOM 0 HG21 ILE A 109 13.484 7.362 -2.863 1.00 0.00 H new ATOM 0 HG22 ILE A 109 12.833 8.902 -3.475 1.00 0.00 H new ATOM 0 HG23 ILE A 109 13.845 8.883 -2.011 1.00 0.00 H new ATOM 0 HD11 ILE A 109 11.185 6.277 1.071 1.00 0.00 H new ATOM 0 HD12 ILE A 109 10.378 7.766 0.525 1.00 0.00 H new ATOM 0 HD13 ILE A 109 10.310 6.298 -0.478 1.00 0.00 H new ATOM 1782 N PRO A 110 12.508 10.586 0.464 1.00 0.00 N ATOM 1783 CA PRO A 110 13.531 11.447 1.039 1.00 0.00 C ATOM 1784 C PRO A 110 14.916 10.817 0.990 1.00 0.00 C ATOM 1785 O PRO A 110 15.559 10.599 2.013 1.00 0.00 O ATOM 1786 CB PRO A 110 13.065 11.638 2.486 1.00 0.00 C ATOM 1787 CG PRO A 110 12.254 10.424 2.800 1.00 0.00 C ATOM 1788 CD PRO A 110 11.689 9.925 1.493 1.00 0.00 C ATOM 0 HA PRO A 110 13.634 12.383 0.490 1.00 0.00 H new ATOM 0 HB2 PRO A 110 13.914 11.731 3.164 1.00 0.00 H new ATOM 0 HB3 PRO A 110 12.472 12.546 2.592 1.00 0.00 H new ATOM 0 HG2 PRO A 110 12.871 9.659 3.271 1.00 0.00 H new ATOM 0 HG3 PRO A 110 11.454 10.664 3.500 1.00 0.00 H new ATOM 0 HD2 PRO A 110 11.758 8.840 1.419 1.00 0.00 H new ATOM 0 HD3 PRO A 110 10.636 10.185 1.390 1.00 0.00 H new ATOM 1796 N GLU A 111 15.370 10.530 -0.153 1.00 0.00 N ATOM 1797 CA GLU A 111 16.682 9.919 -0.351 1.00 0.00 C ATOM 1798 C GLU A 111 17.788 10.942 -0.176 1.00 0.00 C ATOM 1799 O GLU A 111 18.394 11.410 -1.113 1.00 0.00 O ATOM 1800 CB GLU A 111 16.769 9.304 -1.758 1.00 0.00 C ATOM 1801 CG GLU A 111 16.002 10.068 -2.812 1.00 0.00 C ATOM 1802 CD GLU A 111 16.364 9.636 -4.219 1.00 0.00 C ATOM 1803 OE1 GLU A 111 16.294 8.425 -4.501 1.00 0.00 O ATOM 1804 OE2 GLU A 111 16.727 10.516 -5.028 1.00 0.00 O ATOM 0 H GLU A 111 14.859 10.702 -1.019 1.00 0.00 H new ATOM 0 HA GLU A 111 16.809 9.137 0.398 1.00 0.00 H new ATOM 0 HB2 GLU A 111 17.816 9.248 -2.055 1.00 0.00 H new ATOM 0 HB3 GLU A 111 16.394 8.281 -1.720 1.00 0.00 H new ATOM 0 HG2 GLU A 111 14.933 9.924 -2.655 1.00 0.00 H new ATOM 0 HG3 GLU A 111 16.200 11.134 -2.700 1.00 0.00 H new ATOM 1811 N GLU A 112 18.051 11.288 1.019 1.00 0.00 N ATOM 1812 CA GLU A 112 19.088 12.256 1.358 1.00 0.00 C ATOM 1813 C GLU A 112 20.447 11.787 0.867 1.00 0.00 C ATOM 1814 O GLU A 112 21.095 12.518 0.080 1.00 0.00 O ATOM 1815 CB GLU A 112 19.120 12.497 2.861 1.00 0.00 C ATOM 1816 CG GLU A 112 19.083 13.971 3.250 1.00 0.00 C ATOM 1817 CD GLU A 112 18.306 14.221 4.518 1.00 0.00 C ATOM 1818 OE1 GLU A 112 17.277 13.532 4.730 1.00 0.00 O ATOM 1819 OE2 GLU A 112 18.708 15.095 5.301 1.00 0.00 O ATOM 1820 OXT GLU A 112 20.867 10.675 1.264 1.00 0.00 O ATOM 0 H GLU A 112 17.557 10.915 1.830 1.00 0.00 H new ATOM 0 HA GLU A 112 18.852 13.196 0.860 1.00 0.00 H new ATOM 0 HB2 GLU A 112 18.271 11.989 3.319 1.00 0.00 H new ATOM 0 HB3 GLU A 112 20.022 12.045 3.273 1.00 0.00 H new ATOM 0 HG2 GLU A 112 20.103 14.334 3.376 1.00 0.00 H new ATOM 0 HG3 GLU A 112 18.638 14.546 2.437 1.00 0.00 H new TER 1827 GLU A 112