USER MOD reduce.3.24.130724 H: found=0, std=0, add=704, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 699 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 15 SER OG : rot -70:sc= -0.184 USER MOD Set 1.2: A 78 LYS NZ :NH3+ -147:sc=-0.00896 (180deg=-0.201) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 3 MET CE :methyl 179:sc= 0 (180deg=-0.00233) USER MOD Single : A 5 THR OG1 : rot 76:sc= 0.259 USER MOD Single : A 10 ASN : amide:sc= 0.945 K(o=0.95,f=-0.3) USER MOD Single : A 12 ASN : amide:sc= -0.176 K(o=-0.18,f=-3!) USER MOD Single : A 14 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 16 THR OG1 : rot 180:sc= 0.00558 USER MOD Single : A 17 MET CE :methyl 178:sc= -0.0269 (180deg=-0.0318) USER MOD Single : A 19 SER OG : rot 180:sc= -0.0164 USER MOD Single : A 27 TYR OH : rot 165:sc= -0.0677 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 34 ASN : amide:sc= 0.777 K(o=0.78,f=-4.2!) USER MOD Single : A 39 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0426) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 GLN : amide:sc= -0.0443 X(o=-0.044,f=-0.044) USER MOD Single : A 43 THR OG1 : rot 180:sc= -0.296 USER MOD Single : A 44 GLN : amide:sc= 0.729 K(o=0.73,f=-0.12) USER MOD Single : A 46 ASN : amide:sc= 1.58 K(o=1.6,f=-0.057) USER MOD Single : A 53 GLN : amide:sc= -0.893 X(o=-0.89,f=-0.62) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0.0778 USER MOD Single : A 61 GLN : amide:sc= 0.0445 X(o=0.044,f=0) USER MOD Single : A 64 GLN : amide:sc= 0.623 K(o=0.62,f=0) USER MOD Single : A 67 GLN : amide:sc= -0.204 X(o=-0.2,f=-0.58) USER MOD Single : A 70 HIS : no HD1:sc= -0.0292 X(o=-0.029,f=0) USER MOD Single : A 74 THR OG1 : rot -140:sc= 0.565 USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 81 ASN : amide:sc= -0.0166 X(o=-0.017,f=0) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 5.679 16.996 -3.408 1.00 44.23 N ATOM 2 CA GLY A 1 6.843 16.157 -3.722 1.00 70.54 C ATOM 3 C GLY A 1 6.789 14.881 -2.901 1.00 45.33 C ATOM 4 O GLY A 1 6.986 14.937 -1.688 1.00 65.44 O ATOM 0 H1 GLY A 1 5.718 17.869 -3.972 1.00 44.23 H new ATOM 0 H2 GLY A 1 4.806 16.477 -3.634 1.00 44.23 H new ATOM 0 H3 GLY A 1 5.687 17.236 -2.396 1.00 44.23 H new ATOM 0 HA2 GLY A 1 6.854 15.917 -4.785 1.00 70.54 H new ATOM 0 HA3 GLY A 1 7.764 16.700 -3.508 1.00 70.54 H new ATOM 8 N HIS A 2 6.531 13.731 -3.534 1.00 31.21 N ATOM 9 CA HIS A 2 6.283 12.467 -2.838 1.00 43.41 C ATOM 10 C HIS A 2 7.458 11.978 -1.983 1.00 44.13 C ATOM 11 O HIS A 2 7.193 11.379 -0.947 1.00 41.14 O ATOM 12 CB HIS A 2 5.869 11.385 -3.841 1.00 3.02 C ATOM 13 CG HIS A 2 4.503 11.616 -4.432 1.00 34.33 C ATOM 14 ND1 HIS A 2 4.239 12.033 -5.714 1.00 30.12 N ATOM 15 CD2 HIS A 2 3.305 11.472 -3.784 1.00 64.34 C ATOM 16 CE1 HIS A 2 2.912 12.154 -5.846 1.00 33.31 C ATOM 17 NE2 HIS A 2 2.294 11.780 -4.707 1.00 65.32 N ATOM 0 H HIS A 2 6.489 13.653 -4.550 1.00 31.21 H new ATOM 0 HA HIS A 2 5.470 12.664 -2.139 1.00 43.41 H new ATOM 0 HB2 HIS A 2 6.604 11.344 -4.645 1.00 3.02 H new ATOM 0 HB3 HIS A 2 5.884 10.414 -3.345 1.00 3.02 H new ATOM 0 HD2 HIS A 2 3.165 11.177 -2.755 1.00 64.34 H new ATOM 0 HE1 HIS A 2 2.409 12.501 -6.736 1.00 33.31 H new ATOM 0 HE2 HIS A 2 1.288 11.731 -4.548 1.00 65.32 H new ATOM 25 N MET A 3 8.715 12.247 -2.367 1.00 3.21 N ATOM 26 CA MET A 3 9.903 12.041 -1.527 1.00 44.44 C ATOM 27 C MET A 3 9.886 10.687 -0.802 1.00 65.52 C ATOM 28 O MET A 3 9.765 10.632 0.421 1.00 1.13 O ATOM 29 CB MET A 3 10.065 13.204 -0.537 1.00 2.42 C ATOM 30 CG MET A 3 10.284 14.555 -1.217 1.00 1.43 C ATOM 31 SD MET A 3 10.296 15.937 -0.053 1.00 72.40 S ATOM 32 CE MET A 3 11.969 15.756 0.593 1.00 70.20 C ATOM 0 H MET A 3 8.938 12.621 -3.289 1.00 3.21 H new ATOM 0 HA MET A 3 10.769 12.022 -2.188 1.00 44.44 H new ATOM 0 HB2 MET A 3 9.177 13.262 0.092 1.00 2.42 H new ATOM 0 HB3 MET A 3 10.909 12.996 0.121 1.00 2.42 H new ATOM 0 HG2 MET A 3 11.230 14.534 -1.758 1.00 1.43 H new ATOM 0 HG3 MET A 3 9.498 14.716 -1.955 1.00 1.43 H new ATOM 0 HE1 MET A 3 12.165 16.543 1.321 1.00 70.20 H new ATOM 0 HE2 MET A 3 12.070 14.783 1.074 1.00 70.20 H new ATOM 0 HE3 MET A 3 12.685 15.832 -0.225 1.00 70.20 H new ATOM 42 N ASP A 4 10.037 9.602 -1.561 1.00 22.24 N ATOM 43 CA ASP A 4 10.002 8.217 -1.116 1.00 24.24 C ATOM 44 C ASP A 4 8.609 7.837 -0.611 1.00 50.02 C ATOM 45 O ASP A 4 8.227 8.073 0.533 1.00 63.31 O ATOM 46 CB ASP A 4 11.141 7.895 -0.143 1.00 32.45 C ATOM 47 CG ASP A 4 12.319 7.260 -0.874 1.00 30.32 C ATOM 48 OD1 ASP A 4 12.262 6.053 -1.160 1.00 72.23 O ATOM 49 OD2 ASP A 4 13.242 8.024 -1.260 1.00 71.10 O ATOM 0 H ASP A 4 10.197 9.676 -2.566 1.00 22.24 H new ATOM 0 HA ASP A 4 10.189 7.574 -1.976 1.00 24.24 H new ATOM 0 HB2 ASP A 4 11.467 8.808 0.356 1.00 32.45 H new ATOM 0 HB3 ASP A 4 10.782 7.218 0.632 1.00 32.45 H new ATOM 54 N THR A 5 7.815 7.269 -1.517 1.00 25.44 N ATOM 55 CA THR A 5 6.476 6.750 -1.260 1.00 4.34 C ATOM 56 C THR A 5 6.325 5.448 -2.036 1.00 74.32 C ATOM 57 O THR A 5 6.567 5.425 -3.250 1.00 53.21 O ATOM 58 CB THR A 5 5.420 7.784 -1.681 1.00 61.41 C ATOM 59 OG1 THR A 5 5.644 9.016 -1.031 1.00 12.34 O ATOM 60 CG2 THR A 5 3.975 7.366 -1.386 1.00 42.04 C ATOM 0 H THR A 5 8.100 7.154 -2.490 1.00 25.44 H new ATOM 0 HA THR A 5 6.330 6.557 -0.197 1.00 4.34 H new ATOM 0 HB THR A 5 5.533 7.868 -2.762 1.00 61.41 H new ATOM 0 HG1 THR A 5 6.398 9.477 -1.455 1.00 12.34 H new ATOM 0 HG21 THR A 5 3.295 8.152 -1.714 1.00 42.04 H new ATOM 0 HG22 THR A 5 3.747 6.443 -1.919 1.00 42.04 H new ATOM 0 HG23 THR A 5 3.854 7.206 -0.315 1.00 42.04 H new ATOM 68 N ILE A 6 5.920 4.381 -1.343 1.00 64.44 N ATOM 69 CA ILE A 6 5.419 3.179 -1.991 1.00 3.02 C ATOM 70 C ILE A 6 3.929 3.438 -2.219 1.00 21.22 C ATOM 71 O ILE A 6 3.229 3.927 -1.331 1.00 70.52 O ATOM 72 CB ILE A 6 5.684 1.908 -1.149 1.00 65.52 C ATOM 73 CG1 ILE A 6 7.157 1.821 -0.686 1.00 31.43 C ATOM 74 CG2 ILE A 6 5.254 0.664 -1.946 1.00 32.41 C ATOM 75 CD1 ILE A 6 7.475 0.571 0.143 1.00 12.32 C ATOM 0 H ILE A 6 5.932 4.331 -0.324 1.00 64.44 H new ATOM 0 HA ILE A 6 5.933 2.984 -2.932 1.00 3.02 H new ATOM 0 HB ILE A 6 5.086 1.960 -0.239 1.00 65.52 H new ATOM 0 HG12 ILE A 6 7.805 1.838 -1.563 1.00 31.43 H new ATOM 0 HG13 ILE A 6 7.395 2.706 -0.096 1.00 31.43 H new ATOM 0 HG21 ILE A 6 5.441 -0.231 -1.352 1.00 32.41 H new ATOM 0 HG22 ILE A 6 4.191 0.730 -2.178 1.00 32.41 H new ATOM 0 HG23 ILE A 6 5.825 0.610 -2.873 1.00 32.41 H new ATOM 0 HD11 ILE A 6 8.527 0.582 0.430 1.00 12.32 H new ATOM 0 HD12 ILE A 6 6.854 0.561 1.039 1.00 12.32 H new ATOM 0 HD13 ILE A 6 7.270 -0.321 -0.450 1.00 12.32 H new ATOM 87 N ILE A 7 3.439 3.130 -3.409 1.00 71.13 N ATOM 88 CA ILE A 7 2.026 3.107 -3.760 1.00 14.43 C ATOM 89 C ILE A 7 1.562 1.657 -3.826 1.00 42.33 C ATOM 90 O ILE A 7 2.330 0.760 -4.167 1.00 43.22 O ATOM 91 CB ILE A 7 1.802 3.913 -5.057 1.00 41.03 C ATOM 92 CG1 ILE A 7 2.288 5.366 -4.941 1.00 2.15 C ATOM 93 CG2 ILE A 7 0.380 3.893 -5.641 1.00 31.45 C ATOM 94 CD1 ILE A 7 2.977 5.828 -6.219 1.00 25.11 C ATOM 0 H ILE A 7 4.041 2.878 -4.192 1.00 71.13 H new ATOM 0 HA ILE A 7 1.412 3.594 -3.003 1.00 14.43 H new ATOM 0 HB ILE A 7 2.419 3.367 -5.770 1.00 41.03 H new ATOM 0 HG12 ILE A 7 1.441 6.018 -4.727 1.00 2.15 H new ATOM 0 HG13 ILE A 7 2.978 5.454 -4.102 1.00 2.15 H new ATOM 0 HG21 ILE A 7 0.351 4.495 -6.549 1.00 31.45 H new ATOM 0 HG22 ILE A 7 0.098 2.867 -5.876 1.00 31.45 H new ATOM 0 HG23 ILE A 7 -0.319 4.303 -4.912 1.00 31.45 H new ATOM 0 HD11 ILE A 7 3.308 6.860 -6.101 1.00 25.11 H new ATOM 0 HD12 ILE A 7 3.839 5.191 -6.418 1.00 25.11 H new ATOM 0 HD13 ILE A 7 2.278 5.764 -7.053 1.00 25.11 H new ATOM 106 N LEU A 8 0.282 1.448 -3.536 1.00 54.01 N ATOM 107 CA LEU A 8 -0.415 0.180 -3.715 1.00 70.14 C ATOM 108 C LEU A 8 -1.529 0.365 -4.733 1.00 63.51 C ATOM 109 O LEU A 8 -1.994 1.479 -4.979 1.00 1.31 O ATOM 110 CB LEU A 8 -1.030 -0.330 -2.403 1.00 61.40 C ATOM 111 CG LEU A 8 -0.046 -0.635 -1.263 1.00 50.14 C ATOM 112 CD1 LEU A 8 -0.861 -1.153 -0.071 1.00 34.54 C ATOM 113 CD2 LEU A 8 1.009 -1.672 -1.665 1.00 70.42 C ATOM 0 H LEU A 8 -0.318 2.181 -3.158 1.00 54.01 H new ATOM 0 HA LEU A 8 0.314 -0.554 -4.057 1.00 70.14 H new ATOM 0 HB2 LEU A 8 -1.744 0.413 -2.049 1.00 61.40 H new ATOM 0 HB3 LEU A 8 -1.594 -1.237 -2.620 1.00 61.40 H new ATOM 0 HG LEU A 8 0.495 0.277 -1.009 1.00 50.14 H new ATOM 0 HD11 LEU A 8 -0.190 -1.379 0.758 1.00 34.54 H new ATOM 0 HD12 LEU A 8 -1.576 -0.391 0.239 1.00 34.54 H new ATOM 0 HD13 LEU A 8 -1.397 -2.057 -0.362 1.00 34.54 H new ATOM 0 HD21 LEU A 8 1.680 -1.853 -0.825 1.00 70.42 H new ATOM 0 HD22 LEU A 8 0.516 -2.604 -1.943 1.00 70.42 H new ATOM 0 HD23 LEU A 8 1.582 -1.298 -2.513 1.00 70.42 H new ATOM 125 N ARG A 9 -2.006 -0.748 -5.276 1.00 74.44 N ATOM 126 CA ARG A 9 -3.039 -0.843 -6.303 1.00 54.43 C ATOM 127 C ARG A 9 -3.862 -2.094 -6.048 1.00 72.51 C ATOM 128 O ARG A 9 -3.467 -2.940 -5.243 1.00 5.23 O ATOM 129 CB ARG A 9 -2.344 -0.984 -7.664 1.00 44.12 C ATOM 130 CG ARG A 9 -1.929 0.322 -8.318 1.00 2.04 C ATOM 131 CD ARG A 9 -1.178 0.042 -9.630 1.00 42.34 C ATOM 132 NE ARG A 9 -1.604 0.986 -10.681 1.00 34.54 N ATOM 133 CZ ARG A 9 -0.912 1.361 -11.763 1.00 32.35 C ATOM 134 NH1 ARG A 9 0.302 0.896 -11.998 1.00 71.44 N ATOM 135 NH2 ARG A 9 -1.441 2.222 -12.617 1.00 52.32 N ATOM 0 H ARG A 9 -1.661 -1.666 -4.994 1.00 74.44 H new ATOM 0 HA ARG A 9 -3.680 0.038 -6.287 1.00 54.43 H new ATOM 0 HB2 ARG A 9 -1.458 -1.606 -7.538 1.00 44.12 H new ATOM 0 HB3 ARG A 9 -3.013 -1.515 -8.342 1.00 44.12 H new ATOM 0 HG2 ARG A 9 -2.809 0.933 -8.517 1.00 2.04 H new ATOM 0 HG3 ARG A 9 -1.293 0.891 -7.640 1.00 2.04 H new ATOM 0 HD2 ARG A 9 -0.104 0.131 -9.467 1.00 42.34 H new ATOM 0 HD3 ARG A 9 -1.368 -0.981 -9.953 1.00 42.34 H new ATOM 0 HE ARG A 9 -2.530 1.399 -10.570 1.00 34.54 H new ATOM 0 HH11 ARG A 9 0.730 0.237 -11.348 1.00 71.44 H new ATOM 0 HH12 ARG A 9 0.811 1.196 -12.830 1.00 71.44 H new ATOM 0 HH21 ARG A 9 -2.374 2.598 -12.450 1.00 52.32 H new ATOM 0 HH22 ARG A 9 -0.916 2.510 -13.443 1.00 52.32 H new ATOM 149 N ASN A 10 -4.932 -2.248 -6.829 1.00 70.42 N ATOM 150 CA ASN A 10 -5.741 -3.459 -6.917 1.00 2.21 C ATOM 151 C ASN A 10 -6.373 -3.831 -5.573 1.00 25.13 C ATOM 152 O ASN A 10 -6.608 -4.998 -5.269 1.00 23.11 O ATOM 153 CB ASN A 10 -4.917 -4.594 -7.547 1.00 41.20 C ATOM 154 CG ASN A 10 -5.818 -5.639 -8.180 1.00 42.24 C ATOM 155 OD1 ASN A 10 -6.621 -5.300 -9.045 1.00 62.54 O ATOM 156 ND2 ASN A 10 -5.681 -6.893 -7.806 1.00 21.55 N ATOM 0 H ASN A 10 -5.269 -1.504 -7.439 1.00 70.42 H new ATOM 0 HA ASN A 10 -6.588 -3.270 -7.577 1.00 2.21 H new ATOM 0 HB2 ASN A 10 -4.245 -4.184 -8.301 1.00 41.20 H new ATOM 0 HB3 ASN A 10 -4.293 -5.061 -6.785 1.00 41.20 H new ATOM 0 HD21 ASN A 10 -6.252 -7.619 -8.238 1.00 21.55 H new ATOM 0 HD22 ASN A 10 -5.004 -7.139 -7.084 1.00 21.55 H new ATOM 163 N LEU A 11 -6.621 -2.829 -4.730 1.00 34.44 N ATOM 164 CA LEU A 11 -7.377 -3.001 -3.502 1.00 10.04 C ATOM 165 C LEU A 11 -8.842 -3.183 -3.903 1.00 71.35 C ATOM 166 O LEU A 11 -9.338 -2.422 -4.737 1.00 14.33 O ATOM 167 CB LEU A 11 -7.203 -1.776 -2.584 1.00 53.04 C ATOM 168 CG LEU A 11 -5.750 -1.311 -2.346 1.00 63.54 C ATOM 169 CD1 LEU A 11 -5.749 0.007 -1.579 1.00 54.23 C ATOM 170 CD2 LEU A 11 -4.908 -2.306 -1.550 1.00 62.23 C ATOM 0 H LEU A 11 -6.299 -1.874 -4.885 1.00 34.44 H new ATOM 0 HA LEU A 11 -7.023 -3.868 -2.944 1.00 10.04 H new ATOM 0 HB2 LEU A 11 -7.765 -0.945 -3.010 1.00 53.04 H new ATOM 0 HB3 LEU A 11 -7.654 -2.003 -1.618 1.00 53.04 H new ATOM 0 HG LEU A 11 -5.307 -1.210 -3.337 1.00 63.54 H new ATOM 0 HD11 LEU A 11 -4.721 0.331 -1.414 1.00 54.23 H new ATOM 0 HD12 LEU A 11 -6.280 0.764 -2.156 1.00 54.23 H new ATOM 0 HD13 LEU A 11 -6.245 -0.131 -0.618 1.00 54.23 H new ATOM 0 HD21 LEU A 11 -3.900 -1.910 -1.423 1.00 62.23 H new ATOM 0 HD22 LEU A 11 -5.361 -2.465 -0.572 1.00 62.23 H new ATOM 0 HD23 LEU A 11 -4.861 -3.254 -2.086 1.00 62.23 H new ATOM 182 N ASN A 12 -9.532 -4.170 -3.326 1.00 24.14 N ATOM 183 CA ASN A 12 -10.956 -4.388 -3.561 1.00 43.13 C ATOM 184 C ASN A 12 -11.765 -3.284 -2.880 1.00 42.01 C ATOM 185 O ASN A 12 -11.284 -2.679 -1.912 1.00 64.32 O ATOM 186 CB ASN A 12 -11.415 -5.767 -3.019 1.00 51.31 C ATOM 187 CG ASN A 12 -11.804 -6.786 -4.089 1.00 32.52 C ATOM 188 OD1 ASN A 12 -11.554 -6.607 -5.278 1.00 14.42 O ATOM 189 ND2 ASN A 12 -12.385 -7.894 -3.680 1.00 70.55 N ATOM 0 H ASN A 12 -9.115 -4.841 -2.681 1.00 24.14 H new ATOM 0 HA ASN A 12 -11.125 -4.368 -4.638 1.00 43.13 H new ATOM 0 HB2 ASN A 12 -10.612 -6.188 -2.413 1.00 51.31 H new ATOM 0 HB3 ASN A 12 -12.268 -5.615 -2.357 1.00 51.31 H new ATOM 0 HD21 ASN A 12 -12.634 -8.618 -4.354 1.00 70.55 H new ATOM 0 HD22 ASN A 12 -12.586 -8.029 -2.689 1.00 70.55 H new ATOM 196 N PRO A 13 -13.029 -3.105 -3.296 1.00 2.24 N ATOM 197 CA PRO A 13 -13.965 -2.179 -2.675 1.00 63.51 C ATOM 198 C PRO A 13 -14.122 -2.415 -1.168 1.00 62.41 C ATOM 199 O PRO A 13 -13.948 -1.479 -0.392 1.00 73.12 O ATOM 200 CB PRO A 13 -15.281 -2.347 -3.447 1.00 64.43 C ATOM 201 CG PRO A 13 -15.114 -3.606 -4.290 1.00 62.24 C ATOM 202 CD PRO A 13 -13.618 -3.702 -4.487 1.00 11.33 C ATOM 0 HA PRO A 13 -13.603 -1.152 -2.736 1.00 63.51 H new ATOM 0 HB2 PRO A 13 -16.125 -2.444 -2.764 1.00 64.43 H new ATOM 0 HB3 PRO A 13 -15.478 -1.479 -4.076 1.00 64.43 H new ATOM 0 HG2 PRO A 13 -15.509 -4.485 -3.781 1.00 62.24 H new ATOM 0 HG3 PRO A 13 -15.640 -3.525 -5.241 1.00 62.24 H new ATOM 0 HD2 PRO A 13 -13.303 -4.739 -4.603 1.00 11.33 H new ATOM 0 HD3 PRO A 13 -13.306 -3.172 -5.387 1.00 11.33 H new ATOM 210 N HIS A 14 -14.421 -3.653 -0.761 1.00 33.34 N ATOM 211 CA HIS A 14 -14.738 -4.026 0.620 1.00 22.21 C ATOM 212 C HIS A 14 -13.534 -4.011 1.569 1.00 33.33 C ATOM 213 O HIS A 14 -13.707 -4.109 2.783 1.00 25.13 O ATOM 214 CB HIS A 14 -15.367 -5.426 0.635 1.00 43.01 C ATOM 215 CG HIS A 14 -16.804 -5.428 0.194 1.00 61.45 C ATOM 216 ND1 HIS A 14 -17.894 -5.370 1.027 1.00 33.24 N ATOM 217 CD2 HIS A 14 -17.266 -5.423 -1.091 1.00 41.25 C ATOM 218 CE1 HIS A 14 -18.995 -5.342 0.260 1.00 63.22 C ATOM 219 NE2 HIS A 14 -18.662 -5.413 -1.041 1.00 10.23 N ATOM 0 H HIS A 14 -14.450 -4.446 -1.402 1.00 33.34 H new ATOM 0 HA HIS A 14 -15.430 -3.268 0.987 1.00 22.21 H new ATOM 0 HB2 HIS A 14 -14.792 -6.084 -0.016 1.00 43.01 H new ATOM 0 HB3 HIS A 14 -15.301 -5.837 1.642 1.00 43.01 H new ATOM 0 HD2 HIS A 14 -16.661 -5.426 -1.985 1.00 41.25 H new ATOM 0 HE1 HIS A 14 -20.006 -5.272 0.635 1.00 63.22 H new ATOM 0 HE2 HIS A 14 -19.302 -5.452 -1.834 1.00 10.23 H new ATOM 227 N SER A 15 -12.308 -3.967 1.054 1.00 61.14 N ATOM 228 CA SER A 15 -11.122 -4.067 1.891 1.00 71.31 C ATOM 229 C SER A 15 -10.940 -2.823 2.762 1.00 53.12 C ATOM 230 O SER A 15 -11.552 -1.788 2.505 1.00 43.44 O ATOM 231 CB SER A 15 -9.928 -4.328 0.978 1.00 32.23 C ATOM 232 OG SER A 15 -10.166 -5.508 0.229 1.00 21.34 O ATOM 0 H SER A 15 -12.113 -3.862 0.058 1.00 61.14 H new ATOM 0 HA SER A 15 -11.223 -4.894 2.594 1.00 71.31 H new ATOM 0 HB2 SER A 15 -9.775 -3.482 0.308 1.00 32.23 H new ATOM 0 HB3 SER A 15 -9.019 -4.435 1.569 1.00 32.23 H new ATOM 0 HG SER A 15 -10.125 -6.286 0.823 1.00 21.34 H new ATOM 238 N THR A 16 -10.058 -2.887 3.753 1.00 51.34 N ATOM 239 CA THR A 16 -9.656 -1.736 4.537 1.00 30.53 C ATOM 240 C THR A 16 -8.191 -1.947 4.925 1.00 23.50 C ATOM 241 O THR A 16 -7.619 -3.019 4.701 1.00 43.14 O ATOM 242 CB THR A 16 -10.631 -1.511 5.713 1.00 2.22 C ATOM 243 OG1 THR A 16 -10.327 -0.308 6.386 1.00 61.22 O ATOM 244 CG2 THR A 16 -10.654 -2.631 6.753 1.00 42.02 C ATOM 0 H THR A 16 -9.599 -3.753 4.034 1.00 51.34 H new ATOM 0 HA THR A 16 -9.714 -0.804 3.975 1.00 30.53 H new ATOM 0 HB THR A 16 -11.615 -1.480 5.245 1.00 2.22 H new ATOM 0 HG1 THR A 16 -10.955 -0.180 7.127 1.00 61.22 H new ATOM 0 HG21 THR A 16 -11.368 -2.383 7.539 1.00 42.02 H new ATOM 0 HG22 THR A 16 -10.950 -3.565 6.275 1.00 42.02 H new ATOM 0 HG23 THR A 16 -9.661 -2.745 7.187 1.00 42.02 H new ATOM 252 N MET A 17 -7.573 -0.903 5.464 1.00 73.15 N ATOM 253 CA MET A 17 -6.185 -0.785 5.810 1.00 63.24 C ATOM 254 C MET A 17 -5.877 -1.848 6.824 1.00 72.31 C ATOM 255 O MET A 17 -4.935 -2.584 6.616 1.00 44.41 O ATOM 256 CB MET A 17 -5.932 0.605 6.386 1.00 21.15 C ATOM 257 CG MET A 17 -4.498 0.761 6.886 1.00 25.53 C ATOM 258 SD MET A 17 -4.134 2.296 7.769 1.00 34.13 S ATOM 259 CE MET A 17 -4.991 2.005 9.335 1.00 22.13 C ATOM 0 H MET A 17 -8.086 -0.050 5.684 1.00 73.15 H new ATOM 0 HA MET A 17 -5.545 -0.915 4.938 1.00 63.24 H new ATOM 0 HB2 MET A 17 -6.134 1.357 5.623 1.00 21.15 H new ATOM 0 HB3 MET A 17 -6.625 0.790 7.207 1.00 21.15 H new ATOM 0 HG2 MET A 17 -4.270 -0.077 7.544 1.00 25.53 H new ATOM 0 HG3 MET A 17 -3.825 0.688 6.031 1.00 25.53 H new ATOM 0 HE1 MET A 17 -4.828 2.852 10.002 1.00 22.13 H new ATOM 0 HE2 MET A 17 -6.059 1.889 9.149 1.00 22.13 H new ATOM 0 HE3 MET A 17 -4.603 1.098 9.799 1.00 22.13 H new ATOM 269 N ASP A 18 -6.656 -1.947 7.895 1.00 44.14 N ATOM 270 CA ASP A 18 -6.390 -2.876 8.972 1.00 44.21 C ATOM 271 C ASP A 18 -6.414 -4.327 8.500 1.00 60.44 C ATOM 272 O ASP A 18 -5.685 -5.156 9.050 1.00 61.30 O ATOM 273 CB ASP A 18 -7.415 -2.630 10.075 1.00 60.14 C ATOM 274 CG ASP A 18 -6.817 -1.699 11.111 1.00 4.42 C ATOM 275 OD1 ASP A 18 -6.285 -2.211 12.119 1.00 13.22 O ATOM 276 OD2 ASP A 18 -6.730 -0.482 10.833 1.00 31.50 O ATOM 0 H ASP A 18 -7.492 -1.380 8.035 1.00 44.14 H new ATOM 0 HA ASP A 18 -5.383 -2.706 9.354 1.00 44.21 H new ATOM 0 HB2 ASP A 18 -8.321 -2.193 9.655 1.00 60.14 H new ATOM 0 HB3 ASP A 18 -7.702 -3.574 10.539 1.00 60.14 H new ATOM 281 N SER A 19 -7.186 -4.632 7.451 1.00 1.14 N ATOM 282 CA SER A 19 -7.202 -5.968 6.861 1.00 22.21 C ATOM 283 C SER A 19 -5.888 -6.203 6.115 1.00 1.41 C ATOM 284 O SER A 19 -5.151 -7.143 6.402 1.00 3.34 O ATOM 285 CB SER A 19 -8.400 -6.143 5.920 1.00 41.15 C ATOM 286 OG SER A 19 -9.610 -5.699 6.506 1.00 63.44 O ATOM 0 H SER A 19 -7.809 -3.966 6.994 1.00 1.14 H new ATOM 0 HA SER A 19 -7.304 -6.706 7.657 1.00 22.21 H new ATOM 0 HB2 SER A 19 -8.220 -5.589 4.999 1.00 41.15 H new ATOM 0 HB3 SER A 19 -8.495 -7.194 5.647 1.00 41.15 H new ATOM 0 HG SER A 19 -10.347 -5.827 5.872 1.00 63.44 H new ATOM 292 N ILE A 20 -5.567 -5.310 5.177 1.00 43.42 N ATOM 293 CA ILE A 20 -4.333 -5.353 4.401 1.00 13.33 C ATOM 294 C ILE A 20 -3.128 -5.386 5.338 1.00 32.55 C ATOM 295 O ILE A 20 -2.225 -6.187 5.123 1.00 25.22 O ATOM 296 CB ILE A 20 -4.274 -4.150 3.442 1.00 62.40 C ATOM 297 CG1 ILE A 20 -5.499 -4.073 2.512 1.00 2.45 C ATOM 298 CG2 ILE A 20 -3.007 -4.154 2.577 1.00 50.23 C ATOM 299 CD1 ILE A 20 -5.744 -2.619 2.118 1.00 52.02 C ATOM 0 H ILE A 20 -6.170 -4.524 4.933 1.00 43.42 H new ATOM 0 HA ILE A 20 -4.312 -6.261 3.799 1.00 13.33 H new ATOM 0 HB ILE A 20 -4.265 -3.275 4.092 1.00 62.40 H new ATOM 0 HG12 ILE A 20 -5.333 -4.680 1.622 1.00 2.45 H new ATOM 0 HG13 ILE A 20 -6.377 -4.478 3.014 1.00 2.45 H new ATOM 0 HG21 ILE A 20 -3.013 -3.286 1.918 1.00 50.23 H new ATOM 0 HG22 ILE A 20 -2.128 -4.115 3.220 1.00 50.23 H new ATOM 0 HG23 ILE A 20 -2.979 -5.064 1.978 1.00 50.23 H new ATOM 0 HD11 ILE A 20 -6.611 -2.562 1.460 1.00 52.02 H new ATOM 0 HD12 ILE A 20 -5.929 -2.026 3.013 1.00 52.02 H new ATOM 0 HD13 ILE A 20 -4.868 -2.230 1.599 1.00 52.02 H new ATOM 311 N LEU A 21 -3.121 -4.555 6.383 1.00 51.30 N ATOM 312 CA LEU A 21 -2.011 -4.491 7.337 1.00 11.12 C ATOM 313 C LEU A 21 -1.741 -5.830 8.039 1.00 42.44 C ATOM 314 O LEU A 21 -0.684 -5.976 8.644 1.00 53.24 O ATOM 315 CB LEU A 21 -2.255 -3.392 8.390 1.00 21.25 C ATOM 316 CG LEU A 21 -1.934 -1.953 7.950 1.00 21.42 C ATOM 317 CD1 LEU A 21 -2.306 -0.985 9.080 1.00 32.21 C ATOM 318 CD2 LEU A 21 -0.453 -1.762 7.617 1.00 62.20 C ATOM 0 H LEU A 21 -3.882 -3.909 6.591 1.00 51.30 H new ATOM 0 HA LEU A 21 -1.124 -4.248 6.751 1.00 11.12 H new ATOM 0 HB2 LEU A 21 -3.301 -3.433 8.693 1.00 21.25 H new ATOM 0 HB3 LEU A 21 -1.658 -3.623 9.272 1.00 21.25 H new ATOM 0 HG LEU A 21 -2.513 -1.752 7.048 1.00 21.42 H new ATOM 0 HD11 LEU A 21 -2.080 0.036 8.773 1.00 32.21 H new ATOM 0 HD12 LEU A 21 -3.371 -1.072 9.298 1.00 32.21 H new ATOM 0 HD13 LEU A 21 -1.732 -1.231 9.973 1.00 32.21 H new ATOM 0 HD21 LEU A 21 -0.279 -0.730 7.312 1.00 62.20 H new ATOM 0 HD22 LEU A 21 0.150 -1.987 8.497 1.00 62.20 H new ATOM 0 HD23 LEU A 21 -0.173 -2.433 6.804 1.00 62.20 H new ATOM 330 N GLY A 22 -2.666 -6.791 7.992 1.00 13.01 N ATOM 331 CA GLY A 22 -2.428 -8.134 8.492 1.00 33.44 C ATOM 332 C GLY A 22 -1.656 -8.978 7.478 1.00 74.44 C ATOM 333 O GLY A 22 -0.651 -9.600 7.825 1.00 52.30 O ATOM 0 H GLY A 22 -3.600 -6.653 7.605 1.00 13.01 H new ATOM 0 HA2 GLY A 22 -1.868 -8.082 9.426 1.00 33.44 H new ATOM 0 HA3 GLY A 22 -3.380 -8.614 8.717 1.00 33.44 H new ATOM 337 N ALA A 23 -2.133 -9.038 6.228 1.00 62.54 N ATOM 338 CA ALA A 23 -1.704 -10.043 5.244 1.00 43.03 C ATOM 339 C ALA A 23 -0.900 -9.453 4.079 1.00 11.05 C ATOM 340 O ALA A 23 -0.659 -10.120 3.073 1.00 50.40 O ATOM 341 CB ALA A 23 -2.945 -10.754 4.716 1.00 53.23 C ATOM 0 H ALA A 23 -2.831 -8.388 5.868 1.00 62.54 H new ATOM 0 HA ALA A 23 -1.033 -10.738 5.748 1.00 43.03 H new ATOM 0 HB1 ALA A 23 -2.650 -11.505 3.983 1.00 53.23 H new ATOM 0 HB2 ALA A 23 -3.466 -11.238 5.542 1.00 53.23 H new ATOM 0 HB3 ALA A 23 -3.607 -10.028 4.245 1.00 53.23 H new ATOM 347 N LEU A 24 -0.446 -8.214 4.217 1.00 14.05 N ATOM 348 CA LEU A 24 0.441 -7.550 3.277 1.00 72.31 C ATOM 349 C LEU A 24 1.758 -7.161 3.960 1.00 61.31 C ATOM 350 O LEU A 24 2.485 -6.303 3.454 1.00 44.14 O ATOM 351 CB LEU A 24 -0.276 -6.321 2.701 1.00 3.41 C ATOM 352 CG LEU A 24 0.291 -5.889 1.333 1.00 73.30 C ATOM 353 CD1 LEU A 24 -0.469 -6.610 0.222 1.00 53.30 C ATOM 354 CD2 LEU A 24 0.144 -4.383 1.101 1.00 41.24 C ATOM 0 H LEU A 24 -0.694 -7.626 5.013 1.00 14.05 H new ATOM 0 HA LEU A 24 0.690 -8.229 2.462 1.00 72.31 H new ATOM 0 HB2 LEU A 24 -1.338 -6.541 2.596 1.00 3.41 H new ATOM 0 HB3 LEU A 24 -0.190 -5.492 3.404 1.00 3.41 H new ATOM 0 HG LEU A 24 1.351 -6.144 1.324 1.00 73.30 H new ATOM 0 HD11 LEU A 24 -0.071 -6.307 -0.747 1.00 53.30 H new ATOM 0 HD12 LEU A 24 -0.353 -7.687 0.341 1.00 53.30 H new ATOM 0 HD13 LEU A 24 -1.526 -6.351 0.277 1.00 53.30 H new ATOM 0 HD21 LEU A 24 0.556 -4.123 0.126 1.00 41.24 H new ATOM 0 HD22 LEU A 24 -0.911 -4.111 1.133 1.00 41.24 H new ATOM 0 HD23 LEU A 24 0.682 -3.841 1.879 1.00 41.24 H new ATOM 366 N ALA A 25 2.058 -7.708 5.139 1.00 74.20 N ATOM 367 CA ALA A 25 3.140 -7.249 6.001 1.00 12.22 C ATOM 368 C ALA A 25 4.014 -8.400 6.533 1.00 61.34 C ATOM 369 O ALA A 25 4.247 -8.471 7.738 1.00 1.43 O ATOM 370 CB ALA A 25 2.491 -6.440 7.127 1.00 60.42 C ATOM 0 H ALA A 25 1.543 -8.499 5.526 1.00 74.20 H new ATOM 0 HA ALA A 25 3.834 -6.630 5.433 1.00 12.22 H new ATOM 0 HB1 ALA A 25 3.263 -6.072 7.803 1.00 60.42 H new ATOM 0 HB2 ALA A 25 1.949 -5.595 6.702 1.00 60.42 H new ATOM 0 HB3 ALA A 25 1.798 -7.075 7.679 1.00 60.42 H new ATOM 376 N PRO A 26 4.575 -9.270 5.672 1.00 23.13 N ATOM 377 CA PRO A 26 5.501 -10.301 6.118 1.00 3.11 C ATOM 378 C PRO A 26 6.852 -9.698 6.514 1.00 24.44 C ATOM 379 O PRO A 26 7.363 -9.997 7.594 1.00 71.24 O ATOM 380 CB PRO A 26 5.629 -11.266 4.939 1.00 43.00 C ATOM 381 CG PRO A 26 5.294 -10.429 3.710 1.00 11.25 C ATOM 382 CD PRO A 26 4.314 -9.390 4.245 1.00 4.21 C ATOM 0 HA PRO A 26 5.142 -10.814 7.010 1.00 3.11 H new ATOM 0 HB2 PRO A 26 6.636 -11.679 4.874 1.00 43.00 H new ATOM 0 HB3 PRO A 26 4.945 -12.109 5.042 1.00 43.00 H new ATOM 0 HG2 PRO A 26 6.184 -9.962 3.288 1.00 11.25 H new ATOM 0 HG3 PRO A 26 4.847 -11.034 2.922 1.00 11.25 H new ATOM 0 HD2 PRO A 26 4.453 -8.432 3.744 1.00 4.21 H new ATOM 0 HD3 PRO A 26 3.284 -9.699 4.064 1.00 4.21 H new ATOM 390 N TYR A 27 7.453 -8.885 5.633 1.00 21.52 N ATOM 391 CA TYR A 27 8.812 -8.388 5.823 1.00 14.32 C ATOM 392 C TYR A 27 8.829 -7.292 6.876 1.00 4.25 C ATOM 393 O TYR A 27 9.534 -7.439 7.873 1.00 60.40 O ATOM 394 CB TYR A 27 9.441 -7.934 4.497 1.00 54.31 C ATOM 395 CG TYR A 27 9.649 -9.106 3.560 1.00 24.55 C ATOM 396 CD1 TYR A 27 10.747 -9.968 3.750 1.00 14.42 C ATOM 397 CD2 TYR A 27 8.676 -9.418 2.596 1.00 1.12 C ATOM 398 CE1 TYR A 27 10.844 -11.167 3.023 1.00 54.10 C ATOM 399 CE2 TYR A 27 8.759 -10.618 1.874 1.00 31.32 C ATOM 400 CZ TYR A 27 9.833 -11.511 2.100 1.00 74.41 C ATOM 401 OH TYR A 27 9.843 -12.721 1.469 1.00 72.10 O ATOM 0 H TYR A 27 7.009 -8.558 4.775 1.00 21.52 H new ATOM 0 HA TYR A 27 9.431 -9.208 6.187 1.00 14.32 H new ATOM 0 HB2 TYR A 27 8.798 -7.194 4.021 1.00 54.31 H new ATOM 0 HB3 TYR A 27 10.396 -7.447 4.692 1.00 54.31 H new ATOM 0 HD1 TYR A 27 11.519 -9.706 4.459 1.00 14.42 H new ATOM 0 HD2 TYR A 27 7.862 -8.733 2.410 1.00 1.12 H new ATOM 0 HE1 TYR A 27 11.689 -11.823 3.170 1.00 54.10 H new ATOM 0 HE2 TYR A 27 8.001 -10.861 1.144 1.00 31.32 H new ATOM 0 HH TYR A 27 8.966 -12.885 1.063 1.00 72.10 H new ATOM 411 N ALA A 28 8.040 -6.234 6.675 1.00 11.43 N ATOM 412 CA ALA A 28 7.895 -5.093 7.568 1.00 50.34 C ATOM 413 C ALA A 28 6.416 -4.824 7.787 1.00 74.24 C ATOM 414 O ALA A 28 5.600 -5.060 6.890 1.00 73.43 O ATOM 415 CB ALA A 28 8.520 -3.848 6.936 1.00 5.01 C ATOM 0 H ALA A 28 7.458 -6.150 5.842 1.00 11.43 H new ATOM 0 HA ALA A 28 8.393 -5.315 8.512 1.00 50.34 H new ATOM 0 HB1 ALA A 28 8.406 -3.001 7.612 1.00 5.01 H new ATOM 0 HB2 ALA A 28 9.580 -4.026 6.753 1.00 5.01 H new ATOM 0 HB3 ALA A 28 8.020 -3.629 5.992 1.00 5.01 H new ATOM 421 N VAL A 29 6.096 -4.224 8.929 1.00 40.34 N ATOM 422 CA VAL A 29 4.743 -3.906 9.348 1.00 21.55 C ATOM 423 C VAL A 29 4.704 -2.396 9.578 1.00 64.12 C ATOM 424 O VAL A 29 5.451 -1.879 10.409 1.00 20.24 O ATOM 425 CB VAL A 29 4.372 -4.720 10.613 1.00 12.32 C ATOM 426 CG1 VAL A 29 2.861 -4.669 10.878 1.00 74.32 C ATOM 427 CG2 VAL A 29 4.798 -6.197 10.545 1.00 51.33 C ATOM 0 H VAL A 29 6.800 -3.937 9.610 1.00 40.34 H new ATOM 0 HA VAL A 29 4.003 -4.177 8.595 1.00 21.55 H new ATOM 0 HB VAL A 29 4.924 -4.247 11.425 1.00 12.32 H new ATOM 0 HG11 VAL A 29 2.629 -5.249 11.771 1.00 74.32 H new ATOM 0 HG12 VAL A 29 2.552 -3.634 11.026 1.00 74.32 H new ATOM 0 HG13 VAL A 29 2.328 -5.088 10.025 1.00 74.32 H new ATOM 0 HG21 VAL A 29 4.505 -6.703 11.465 1.00 51.33 H new ATOM 0 HG22 VAL A 29 4.311 -6.677 9.696 1.00 51.33 H new ATOM 0 HG23 VAL A 29 5.880 -6.259 10.426 1.00 51.33 H new ATOM 437 N LEU A 30 3.903 -1.673 8.796 1.00 65.51 N ATOM 438 CA LEU A 30 3.626 -0.255 9.044 1.00 1.13 C ATOM 439 C LEU A 30 2.879 -0.057 10.375 1.00 3.11 C ATOM 440 O LEU A 30 2.401 -1.025 10.978 1.00 1.45 O ATOM 441 CB LEU A 30 2.786 0.363 7.912 1.00 70.10 C ATOM 442 CG LEU A 30 3.384 0.423 6.497 1.00 32.12 C ATOM 443 CD1 LEU A 30 4.868 0.794 6.495 1.00 10.12 C ATOM 444 CD2 LEU A 30 3.136 -0.854 5.695 1.00 50.03 C ATOM 0 H LEU A 30 3.429 -2.050 7.975 1.00 65.51 H new ATOM 0 HA LEU A 30 4.593 0.247 9.090 1.00 1.13 H new ATOM 0 HB2 LEU A 30 1.851 -0.194 7.852 1.00 70.10 H new ATOM 0 HB3 LEU A 30 2.532 1.381 8.207 1.00 70.10 H new ATOM 0 HG LEU A 30 2.850 1.229 5.994 1.00 32.12 H new ATOM 0 HD11 LEU A 30 5.235 0.821 5.469 1.00 10.12 H new ATOM 0 HD12 LEU A 30 4.999 1.775 6.953 1.00 10.12 H new ATOM 0 HD13 LEU A 30 5.429 0.051 7.062 1.00 10.12 H new ATOM 0 HD21 LEU A 30 3.580 -0.754 4.705 1.00 50.03 H new ATOM 0 HD22 LEU A 30 3.587 -1.701 6.211 1.00 50.03 H new ATOM 0 HD23 LEU A 30 2.063 -1.019 5.596 1.00 50.03 H new ATOM 456 N SER A 31 2.702 1.201 10.799 1.00 22.44 N ATOM 457 CA SER A 31 1.764 1.542 11.858 1.00 53.22 C ATOM 458 C SER A 31 0.373 1.717 11.241 1.00 70.21 C ATOM 459 O SER A 31 -0.377 0.740 11.197 1.00 64.44 O ATOM 460 CB SER A 31 2.256 2.779 12.617 1.00 72.33 C ATOM 461 OG SER A 31 3.294 2.414 13.505 1.00 62.24 O ATOM 0 H SER A 31 3.205 2.001 10.416 1.00 22.44 H new ATOM 0 HA SER A 31 1.697 0.743 12.597 1.00 53.22 H new ATOM 0 HB2 SER A 31 2.614 3.530 11.913 1.00 72.33 H new ATOM 0 HB3 SER A 31 1.432 3.229 13.171 1.00 72.33 H new ATOM 0 HG SER A 31 3.607 3.208 13.987 1.00 62.24 H new ATOM 467 N SER A 32 0.025 2.899 10.724 1.00 54.32 N ATOM 468 CA SER A 32 -1.355 3.201 10.347 1.00 30.22 C ATOM 469 C SER A 32 -1.444 4.514 9.567 1.00 30.53 C ATOM 470 O SER A 32 -2.012 4.537 8.473 1.00 31.13 O ATOM 471 CB SER A 32 -2.242 3.228 11.606 1.00 33.14 C ATOM 472 OG SER A 32 -1.622 3.916 12.679 1.00 25.33 O ATOM 0 H SER A 32 0.682 3.661 10.558 1.00 54.32 H new ATOM 0 HA SER A 32 -1.718 2.416 9.684 1.00 30.22 H new ATOM 0 HB2 SER A 32 -3.192 3.707 11.370 1.00 33.14 H new ATOM 0 HB3 SER A 32 -2.467 2.207 11.912 1.00 33.14 H new ATOM 0 HG SER A 32 -2.217 3.912 13.458 1.00 25.33 H new ATOM 478 N SER A 33 -0.861 5.607 10.066 1.00 42.42 N ATOM 479 CA SER A 33 -0.834 6.884 9.353 1.00 30.55 C ATOM 480 C SER A 33 -0.043 6.747 8.053 1.00 4.22 C ATOM 481 O SER A 33 -0.294 7.486 7.097 1.00 70.12 O ATOM 482 CB SER A 33 -0.309 8.024 10.246 1.00 52.02 C ATOM 483 OG SER A 33 1.100 8.161 10.242 1.00 62.13 O ATOM 0 H SER A 33 -0.396 5.631 10.973 1.00 42.42 H new ATOM 0 HA SER A 33 -1.856 7.155 9.090 1.00 30.55 H new ATOM 0 HB2 SER A 33 -0.755 8.963 9.918 1.00 52.02 H new ATOM 0 HB3 SER A 33 -0.643 7.853 11.269 1.00 52.02 H new ATOM 0 HG SER A 33 1.358 8.903 10.828 1.00 62.13 H new ATOM 489 N ASN A 34 0.878 5.773 8.007 1.00 70.52 N ATOM 490 CA ASN A 34 1.614 5.383 6.816 1.00 42.31 C ATOM 491 C ASN A 34 0.651 5.102 5.675 1.00 52.23 C ATOM 492 O ASN A 34 0.894 5.560 4.564 1.00 21.12 O ATOM 493 CB ASN A 34 2.429 4.101 7.054 1.00 41.02 C ATOM 494 CG ASN A 34 3.268 4.157 8.306 1.00 4.11 C ATOM 495 OD1 ASN A 34 2.751 3.861 9.377 1.00 54.44 O ATOM 496 ND2 ASN A 34 4.524 4.534 8.188 1.00 23.41 N ATOM 0 H ASN A 34 1.132 5.224 8.828 1.00 70.52 H new ATOM 0 HA ASN A 34 2.284 6.207 6.571 1.00 42.31 H new ATOM 0 HB2 ASN A 34 1.749 3.252 7.117 1.00 41.02 H new ATOM 0 HB3 ASN A 34 3.078 3.926 6.196 1.00 41.02 H new ATOM 0 HD21 ASN A 34 5.119 4.591 9.014 1.00 23.41 H new ATOM 0 HD22 ASN A 34 4.902 4.769 7.270 1.00 23.41 H new ATOM 503 N VAL A 35 -0.397 4.309 5.926 1.00 22.43 N ATOM 504 CA VAL A 35 -1.149 3.615 4.893 1.00 23.31 C ATOM 505 C VAL A 35 -2.440 4.380 4.594 1.00 45.22 C ATOM 506 O VAL A 35 -3.532 4.108 5.101 1.00 1.02 O ATOM 507 CB VAL A 35 -1.322 2.125 5.237 1.00 22.21 C ATOM 508 CG1 VAL A 35 -1.977 1.395 4.053 1.00 32.54 C ATOM 509 CG2 VAL A 35 0.028 1.453 5.524 1.00 64.11 C ATOM 0 H VAL A 35 -0.746 4.134 6.868 1.00 22.43 H new ATOM 0 HA VAL A 35 -0.592 3.604 3.956 1.00 23.31 H new ATOM 0 HB VAL A 35 -1.947 2.064 6.128 1.00 22.21 H new ATOM 0 HG11 VAL A 35 -2.099 0.340 4.298 1.00 32.54 H new ATOM 0 HG12 VAL A 35 -2.953 1.835 3.849 1.00 32.54 H new ATOM 0 HG13 VAL A 35 -1.344 1.492 3.171 1.00 32.54 H new ATOM 0 HG21 VAL A 35 -0.132 0.402 5.763 1.00 64.11 H new ATOM 0 HG22 VAL A 35 0.668 1.532 4.645 1.00 64.11 H new ATOM 0 HG23 VAL A 35 0.509 1.948 6.368 1.00 64.11 H new ATOM 519 N ARG A 36 -2.300 5.356 3.706 1.00 62.51 N ATOM 520 CA ARG A 36 -3.372 6.158 3.148 1.00 53.12 C ATOM 521 C ARG A 36 -4.196 5.316 2.179 1.00 50.10 C ATOM 522 O ARG A 36 -3.851 5.250 1.001 1.00 73.41 O ATOM 523 CB ARG A 36 -2.754 7.403 2.478 1.00 73.43 C ATOM 524 CG ARG A 36 -2.824 8.640 3.374 1.00 32.24 C ATOM 525 CD ARG A 36 -4.231 9.248 3.385 1.00 34.22 C ATOM 526 NE ARG A 36 -4.164 10.695 3.616 1.00 10.25 N ATOM 527 CZ ARG A 36 -4.330 11.342 4.773 1.00 65.31 C ATOM 528 NH1 ARG A 36 -4.587 10.692 5.903 1.00 41.32 N ATOM 529 NH2 ARG A 36 -4.220 12.664 4.765 1.00 31.54 N ATOM 0 H ARG A 36 -1.386 5.620 3.339 1.00 62.51 H new ATOM 0 HA ARG A 36 -4.054 6.497 3.927 1.00 53.12 H new ATOM 0 HB2 ARG A 36 -1.713 7.198 2.226 1.00 73.43 H new ATOM 0 HB3 ARG A 36 -3.275 7.605 1.542 1.00 73.43 H new ATOM 0 HG2 ARG A 36 -2.535 8.371 4.390 1.00 32.24 H new ATOM 0 HG3 ARG A 36 -2.108 9.384 3.025 1.00 32.24 H new ATOM 0 HD2 ARG A 36 -4.727 9.048 2.435 1.00 34.22 H new ATOM 0 HD3 ARG A 36 -4.831 8.777 4.164 1.00 34.22 H new ATOM 0 HE ARG A 36 -3.968 11.274 2.799 1.00 10.25 H new ATOM 0 HH11 ARG A 36 -4.662 9.675 5.901 1.00 41.32 H new ATOM 0 HH12 ARG A 36 -4.709 11.210 6.773 1.00 41.32 H new ATOM 0 HH21 ARG A 36 -4.015 13.153 3.894 1.00 31.54 H new ATOM 0 HH22 ARG A 36 -4.341 13.191 5.630 1.00 31.54 H new ATOM 543 N VAL A 37 -5.279 4.697 2.649 1.00 24.33 N ATOM 544 CA VAL A 37 -6.351 4.175 1.807 1.00 21.51 C ATOM 545 C VAL A 37 -7.391 5.292 1.790 1.00 50.33 C ATOM 546 O VAL A 37 -8.087 5.494 2.783 1.00 31.23 O ATOM 547 CB VAL A 37 -6.936 2.847 2.359 1.00 2.11 C ATOM 548 CG1 VAL A 37 -7.957 2.223 1.386 1.00 74.44 C ATOM 549 CG2 VAL A 37 -5.854 1.793 2.643 1.00 64.24 C ATOM 0 H VAL A 37 -5.437 4.542 3.645 1.00 24.33 H new ATOM 0 HA VAL A 37 -6.000 3.921 0.807 1.00 21.51 H new ATOM 0 HB VAL A 37 -7.424 3.121 3.294 1.00 2.11 H new ATOM 0 HG11 VAL A 37 -8.343 1.295 1.809 1.00 74.44 H new ATOM 0 HG12 VAL A 37 -8.780 2.919 1.227 1.00 74.44 H new ATOM 0 HG13 VAL A 37 -7.470 2.013 0.434 1.00 74.44 H new ATOM 0 HG21 VAL A 37 -6.321 0.886 3.027 1.00 64.24 H new ATOM 0 HG22 VAL A 37 -5.319 1.563 1.722 1.00 64.24 H new ATOM 0 HG23 VAL A 37 -5.153 2.181 3.382 1.00 64.24 H new ATOM 559 N ILE A 38 -7.481 6.067 0.709 1.00 70.33 N ATOM 560 CA ILE A 38 -8.595 6.993 0.546 1.00 12.14 C ATOM 561 C ILE A 38 -9.868 6.140 0.374 1.00 24.23 C ATOM 562 O ILE A 38 -9.828 5.087 -0.278 1.00 71.11 O ATOM 563 CB ILE A 38 -8.369 7.928 -0.663 1.00 65.24 C ATOM 564 CG1 ILE A 38 -6.982 8.608 -0.750 1.00 51.03 C ATOM 565 CG2 ILE A 38 -9.432 9.032 -0.642 1.00 34.33 C ATOM 566 CD1 ILE A 38 -6.781 9.279 -2.120 1.00 25.20 C ATOM 0 H ILE A 38 -6.805 6.071 -0.055 1.00 70.33 H new ATOM 0 HA ILE A 38 -8.689 7.642 1.417 1.00 12.14 H new ATOM 0 HB ILE A 38 -8.436 7.276 -1.534 1.00 65.24 H new ATOM 0 HG12 ILE A 38 -6.888 9.352 0.041 1.00 51.03 H new ATOM 0 HG13 ILE A 38 -6.199 7.868 -0.586 1.00 51.03 H new ATOM 0 HG21 ILE A 38 -9.282 9.698 -1.492 1.00 34.33 H new ATOM 0 HG22 ILE A 38 -10.424 8.584 -0.703 1.00 34.33 H new ATOM 0 HG23 ILE A 38 -9.348 9.601 0.284 1.00 34.33 H new ATOM 0 HD11 ILE A 38 -5.798 9.749 -2.154 1.00 25.20 H new ATOM 0 HD12 ILE A 38 -6.851 8.528 -2.907 1.00 25.20 H new ATOM 0 HD13 ILE A 38 -7.551 10.036 -2.271 1.00 25.20 H new ATOM 578 N LYS A 39 -11.004 6.590 0.920 1.00 64.24 N ATOM 579 CA LYS A 39 -12.302 5.933 0.784 1.00 50.05 C ATOM 580 C LYS A 39 -13.381 6.945 0.383 1.00 5.32 C ATOM 581 O LYS A 39 -13.284 8.111 0.768 1.00 44.41 O ATOM 582 CB LYS A 39 -12.686 5.144 2.062 1.00 30.42 C ATOM 583 CG LYS A 39 -11.579 4.588 2.980 1.00 31.52 C ATOM 584 CD LYS A 39 -11.090 5.567 4.061 1.00 62.32 C ATOM 585 CE LYS A 39 -10.081 4.932 5.037 1.00 14.40 C ATOM 586 NZ LYS A 39 -10.656 3.843 5.855 1.00 30.51 N ATOM 0 H LYS A 39 -11.043 7.441 1.481 1.00 64.24 H new ATOM 0 HA LYS A 39 -12.225 5.198 -0.018 1.00 50.05 H new ATOM 0 HB2 LYS A 39 -13.316 5.795 2.669 1.00 30.42 H new ATOM 0 HB3 LYS A 39 -13.304 4.302 1.751 1.00 30.42 H new ATOM 0 HG2 LYS A 39 -11.948 3.685 3.467 1.00 31.52 H new ATOM 0 HG3 LYS A 39 -10.729 4.293 2.364 1.00 31.52 H new ATOM 0 HD2 LYS A 39 -10.628 6.429 3.580 1.00 62.32 H new ATOM 0 HD3 LYS A 39 -11.948 5.937 4.623 1.00 62.32 H new ATOM 0 HE2 LYS A 39 -9.236 4.542 4.470 1.00 14.40 H new ATOM 0 HE3 LYS A 39 -9.692 5.706 5.699 1.00 14.40 H new ATOM 0 HZ1 LYS A 39 -9.969 3.553 6.580 1.00 30.51 H new ATOM 0 HZ2 LYS A 39 -11.526 4.178 6.317 1.00 30.51 H new ATOM 0 HZ3 LYS A 39 -10.879 3.031 5.245 1.00 30.51 H new ATOM 600 N ASP A 40 -14.404 6.496 -0.357 1.00 51.05 N ATOM 601 CA ASP A 40 -15.578 7.271 -0.776 1.00 41.11 C ATOM 602 C ASP A 40 -16.393 7.712 0.459 1.00 70.53 C ATOM 603 O ASP A 40 -16.081 7.286 1.576 1.00 32.31 O ATOM 604 CB ASP A 40 -16.441 6.356 -1.666 1.00 53.01 C ATOM 605 CG ASP A 40 -17.321 7.098 -2.668 1.00 22.14 C ATOM 606 OD1 ASP A 40 -17.053 7.009 -3.892 1.00 74.24 O ATOM 607 OD2 ASP A 40 -18.345 7.652 -2.230 1.00 73.42 O ATOM 0 H ASP A 40 -14.436 5.535 -0.696 1.00 51.05 H new ATOM 0 HA ASP A 40 -15.270 8.165 -1.319 1.00 41.11 H new ATOM 0 HB2 ASP A 40 -15.786 5.676 -2.210 1.00 53.01 H new ATOM 0 HB3 ASP A 40 -17.077 5.743 -1.027 1.00 53.01 H new ATOM 612 N LYS A 41 -17.495 8.457 0.294 1.00 62.54 N ATOM 613 CA LYS A 41 -18.477 8.711 1.368 1.00 64.31 C ATOM 614 C LYS A 41 -19.858 8.192 1.014 1.00 32.21 C ATOM 615 O LYS A 41 -20.603 7.785 1.911 1.00 52.12 O ATOM 616 CB LYS A 41 -18.584 10.204 1.735 1.00 53.44 C ATOM 617 CG LYS A 41 -17.219 10.895 1.834 1.00 42.33 C ATOM 618 CD LYS A 41 -17.175 12.152 2.709 1.00 52.13 C ATOM 619 CE LYS A 41 -18.191 13.210 2.275 1.00 13.34 C ATOM 620 NZ LYS A 41 -18.006 14.473 3.014 1.00 51.14 N ATOM 0 H LYS A 41 -17.735 8.904 -0.591 1.00 62.54 H new ATOM 0 HA LYS A 41 -18.100 8.166 2.233 1.00 64.31 H new ATOM 0 HB2 LYS A 41 -19.190 10.714 0.986 1.00 53.44 H new ATOM 0 HB3 LYS A 41 -19.105 10.302 2.687 1.00 53.44 H new ATOM 0 HG2 LYS A 41 -16.496 10.178 2.223 1.00 42.33 H new ATOM 0 HG3 LYS A 41 -16.893 11.162 0.829 1.00 42.33 H new ATOM 0 HD2 LYS A 41 -17.366 11.875 3.746 1.00 52.13 H new ATOM 0 HD3 LYS A 41 -16.173 12.580 2.673 1.00 52.13 H new ATOM 0 HE2 LYS A 41 -18.091 13.395 1.206 1.00 13.34 H new ATOM 0 HE3 LYS A 41 -19.201 12.835 2.440 1.00 13.34 H new ATOM 0 HZ1 LYS A 41 -18.711 15.168 2.695 1.00 51.14 H new ATOM 0 HZ2 LYS A 41 -18.126 14.300 4.032 1.00 51.14 H new ATOM 0 HZ3 LYS A 41 -17.050 14.843 2.836 1.00 51.14 H new ATOM 634 N GLN A 42 -20.203 8.179 -0.269 1.00 44.04 N ATOM 635 CA GLN A 42 -21.508 7.734 -0.705 1.00 13.00 C ATOM 636 C GLN A 42 -21.488 6.219 -0.748 1.00 74.51 C ATOM 637 O GLN A 42 -22.313 5.567 -0.110 1.00 52.42 O ATOM 638 CB GLN A 42 -21.899 8.323 -2.052 1.00 73.52 C ATOM 639 CG GLN A 42 -21.893 9.853 -2.120 1.00 22.24 C ATOM 640 CD GLN A 42 -22.892 10.498 -1.170 1.00 54.34 C ATOM 641 OE1 GLN A 42 -22.517 11.102 -0.167 1.00 72.14 O ATOM 642 NE2 GLN A 42 -24.176 10.430 -1.463 1.00 43.44 N ATOM 0 H GLN A 42 -19.586 8.475 -1.026 1.00 44.04 H new ATOM 0 HA GLN A 42 -22.264 8.084 -0.002 1.00 13.00 H new ATOM 0 HB2 GLN A 42 -21.217 7.939 -2.811 1.00 73.52 H new ATOM 0 HB3 GLN A 42 -22.896 7.967 -2.311 1.00 73.52 H new ATOM 0 HG2 GLN A 42 -20.892 10.217 -1.887 1.00 22.24 H new ATOM 0 HG3 GLN A 42 -22.117 10.166 -3.140 1.00 22.24 H new ATOM 0 HE21 GLN A 42 -24.483 9.928 -2.296 1.00 43.44 H new ATOM 0 HE22 GLN A 42 -24.862 10.879 -0.857 1.00 43.44 H new ATOM 651 N THR A 43 -20.512 5.651 -1.457 1.00 31.53 N ATOM 652 CA THR A 43 -20.523 4.225 -1.740 1.00 51.01 C ATOM 653 C THR A 43 -19.941 3.430 -0.571 1.00 21.23 C ATOM 654 O THR A 43 -20.132 2.217 -0.505 1.00 53.34 O ATOM 655 CB THR A 43 -19.833 3.969 -3.086 1.00 63.31 C ATOM 656 OG1 THR A 43 -18.499 4.440 -3.082 1.00 23.22 O ATOM 657 CG2 THR A 43 -20.597 4.677 -4.208 1.00 22.34 C ATOM 0 H THR A 43 -19.713 6.155 -1.841 1.00 31.53 H new ATOM 0 HA THR A 43 -21.547 3.866 -1.840 1.00 51.01 H new ATOM 0 HB THR A 43 -19.826 2.892 -3.251 1.00 63.31 H new ATOM 0 HG1 THR A 43 -18.086 4.261 -3.953 1.00 23.22 H new ATOM 0 HG21 THR A 43 -20.101 4.490 -5.160 1.00 22.34 H new ATOM 0 HG22 THR A 43 -21.617 4.296 -4.250 1.00 22.34 H new ATOM 0 HG23 THR A 43 -20.618 5.749 -4.014 1.00 22.34 H new ATOM 665 N GLN A 44 -19.258 4.106 0.367 1.00 14.10 N ATOM 666 CA GLN A 44 -18.543 3.492 1.481 1.00 41.43 C ATOM 667 C GLN A 44 -17.575 2.421 0.953 1.00 63.42 C ATOM 668 O GLN A 44 -17.505 1.318 1.490 1.00 51.03 O ATOM 669 CB GLN A 44 -19.535 2.973 2.543 1.00 33.12 C ATOM 670 CG GLN A 44 -20.341 4.082 3.241 1.00 23.20 C ATOM 671 CD GLN A 44 -19.486 4.907 4.198 1.00 50.01 C ATOM 672 OE1 GLN A 44 -18.781 4.369 5.048 1.00 71.55 O ATOM 673 NE2 GLN A 44 -19.492 6.223 4.077 1.00 51.24 N ATOM 0 H GLN A 44 -19.190 5.124 0.365 1.00 14.10 H new ATOM 0 HA GLN A 44 -17.931 4.237 1.990 1.00 41.43 H new ATOM 0 HB2 GLN A 44 -20.228 2.278 2.069 1.00 33.12 H new ATOM 0 HB3 GLN A 44 -18.984 2.410 3.296 1.00 33.12 H new ATOM 0 HG2 GLN A 44 -20.777 4.739 2.489 1.00 23.20 H new ATOM 0 HG3 GLN A 44 -21.169 3.635 3.791 1.00 23.20 H new ATOM 0 HE21 GLN A 44 -20.078 6.668 3.370 1.00 51.24 H new ATOM 0 HE22 GLN A 44 -18.910 6.794 4.690 1.00 51.24 H new ATOM 682 N LEU A 45 -16.858 2.726 -0.133 1.00 23.44 N ATOM 683 CA LEU A 45 -15.814 1.881 -0.714 1.00 10.12 C ATOM 684 C LEU A 45 -14.488 2.622 -0.628 1.00 70.22 C ATOM 685 O LEU A 45 -14.471 3.799 -0.288 1.00 4.43 O ATOM 686 CB LEU A 45 -16.111 1.562 -2.186 1.00 62.34 C ATOM 687 CG LEU A 45 -17.536 1.075 -2.476 1.00 61.34 C ATOM 688 CD1 LEU A 45 -17.685 0.856 -3.979 1.00 24.12 C ATOM 689 CD2 LEU A 45 -17.910 -0.183 -1.696 1.00 22.24 C ATOM 0 H LEU A 45 -16.994 3.596 -0.647 1.00 23.44 H new ATOM 0 HA LEU A 45 -15.775 0.943 -0.161 1.00 10.12 H new ATOM 0 HB2 LEU A 45 -15.922 2.456 -2.780 1.00 62.34 H new ATOM 0 HB3 LEU A 45 -15.408 0.801 -2.525 1.00 62.34 H new ATOM 0 HG LEU A 45 -18.230 1.844 -2.139 1.00 61.34 H new ATOM 0 HD11 LEU A 45 -18.695 0.509 -4.198 1.00 24.12 H new ATOM 0 HD12 LEU A 45 -17.502 1.794 -4.503 1.00 24.12 H new ATOM 0 HD13 LEU A 45 -16.965 0.108 -4.311 1.00 24.12 H new ATOM 0 HD21 LEU A 45 -18.930 -0.476 -1.945 1.00 22.24 H new ATOM 0 HD22 LEU A 45 -17.226 -0.990 -1.958 1.00 22.24 H new ATOM 0 HD23 LEU A 45 -17.842 0.018 -0.627 1.00 22.24 H new ATOM 701 N ASN A 46 -13.386 1.976 -0.995 1.00 70.15 N ATOM 702 CA ASN A 46 -12.061 2.585 -1.122 1.00 50.42 C ATOM 703 C ASN A 46 -11.955 3.318 -2.460 1.00 21.52 C ATOM 704 O ASN A 46 -12.871 3.264 -3.285 1.00 52.21 O ATOM 705 CB ASN A 46 -10.941 1.535 -1.015 1.00 2.21 C ATOM 706 CG ASN A 46 -11.093 0.691 0.218 1.00 65.23 C ATOM 707 OD1 ASN A 46 -11.249 1.210 1.318 1.00 3.14 O ATOM 708 ND2 ASN A 46 -11.030 -0.615 0.078 1.00 71.32 N ATOM 0 H ASN A 46 -13.388 0.981 -1.220 1.00 70.15 H new ATOM 0 HA ASN A 46 -11.938 3.292 -0.301 1.00 50.42 H new ATOM 0 HB2 ASN A 46 -10.954 0.896 -1.898 1.00 2.21 H new ATOM 0 HB3 ASN A 46 -9.973 2.035 -0.998 1.00 2.21 H new ATOM 0 HD21 ASN A 46 -11.111 -1.220 0.895 1.00 71.32 H new ATOM 0 HD22 ASN A 46 -10.900 -1.023 -0.848 1.00 71.32 H new ATOM 715 N ARG A 47 -10.803 3.933 -2.727 1.00 64.11 N ATOM 716 CA ARG A 47 -10.399 4.374 -4.067 1.00 24.10 C ATOM 717 C ARG A 47 -9.630 3.299 -4.840 1.00 34.40 C ATOM 718 O ARG A 47 -9.396 3.466 -6.031 1.00 73.15 O ATOM 719 CB ARG A 47 -9.666 5.726 -4.008 1.00 30.23 C ATOM 720 CG ARG A 47 -10.619 6.875 -3.602 1.00 25.34 C ATOM 721 CD ARG A 47 -11.359 7.573 -4.755 1.00 13.24 C ATOM 722 NE ARG A 47 -12.068 6.655 -5.674 1.00 11.40 N ATOM 723 CZ ARG A 47 -11.643 6.222 -6.871 1.00 41.03 C ATOM 724 NH1 ARG A 47 -10.521 6.686 -7.417 1.00 25.10 N ATOM 725 NH2 ARG A 47 -12.339 5.296 -7.516 1.00 63.55 N ATOM 0 H ARG A 47 -10.111 4.143 -2.008 1.00 64.11 H new ATOM 0 HA ARG A 47 -11.309 4.535 -4.645 1.00 24.10 H new ATOM 0 HB2 ARG A 47 -8.845 5.664 -3.294 1.00 30.23 H new ATOM 0 HB3 ARG A 47 -9.226 5.944 -4.981 1.00 30.23 H new ATOM 0 HG2 ARG A 47 -11.360 6.478 -2.908 1.00 25.34 H new ATOM 0 HG3 ARG A 47 -10.043 7.624 -3.059 1.00 25.34 H new ATOM 0 HD2 ARG A 47 -12.080 8.275 -4.335 1.00 13.24 H new ATOM 0 HD3 ARG A 47 -10.641 8.159 -5.329 1.00 13.24 H new ATOM 0 HE ARG A 47 -12.978 6.315 -5.364 1.00 11.40 H new ATOM 0 HH11 ARG A 47 -9.965 7.385 -6.924 1.00 25.10 H new ATOM 0 HH12 ARG A 47 -10.217 6.342 -8.328 1.00 25.10 H new ATOM 0 HH21 ARG A 47 -13.191 4.918 -7.102 1.00 63.55 H new ATOM 0 HH22 ARG A 47 -12.022 4.962 -8.426 1.00 63.55 H new ATOM 739 N GLY A 48 -9.168 2.228 -4.189 1.00 71.53 N ATOM 740 CA GLY A 48 -8.626 1.067 -4.896 1.00 50.04 C ATOM 741 C GLY A 48 -7.102 1.086 -5.057 1.00 5.31 C ATOM 742 O GLY A 48 -6.474 0.036 -5.180 1.00 65.43 O ATOM 0 H GLY A 48 -9.159 2.142 -3.173 1.00 71.53 H new ATOM 0 HA2 GLY A 48 -8.912 0.162 -4.359 1.00 50.04 H new ATOM 0 HA3 GLY A 48 -9.084 1.010 -5.883 1.00 50.04 H new ATOM 746 N PHE A 49 -6.476 2.257 -4.973 1.00 50.31 N ATOM 747 CA PHE A 49 -5.043 2.412 -4.734 1.00 10.03 C ATOM 748 C PHE A 49 -4.845 2.881 -3.292 1.00 23.24 C ATOM 749 O PHE A 49 -5.819 3.216 -2.610 1.00 51.05 O ATOM 750 CB PHE A 49 -4.441 3.380 -5.764 1.00 54.40 C ATOM 751 CG PHE A 49 -5.183 4.694 -5.908 1.00 12.43 C ATOM 752 CD1 PHE A 49 -6.203 4.814 -6.869 1.00 23.10 C ATOM 753 CD2 PHE A 49 -4.866 5.790 -5.084 1.00 3.15 C ATOM 754 CE1 PHE A 49 -6.889 6.030 -7.020 1.00 73.25 C ATOM 755 CE2 PHE A 49 -5.557 7.006 -5.236 1.00 11.21 C ATOM 756 CZ PHE A 49 -6.567 7.127 -6.205 1.00 64.11 C ATOM 0 H PHE A 49 -6.964 3.147 -5.072 1.00 50.31 H new ATOM 0 HA PHE A 49 -4.519 1.464 -4.858 1.00 10.03 H new ATOM 0 HB2 PHE A 49 -3.409 3.590 -5.485 1.00 54.40 H new ATOM 0 HB3 PHE A 49 -4.414 2.885 -6.735 1.00 54.40 H new ATOM 0 HD1 PHE A 49 -6.459 3.970 -7.492 1.00 23.10 H new ATOM 0 HD2 PHE A 49 -4.093 5.698 -4.336 1.00 3.15 H new ATOM 0 HE1 PHE A 49 -7.666 6.122 -7.765 1.00 73.25 H new ATOM 0 HE2 PHE A 49 -5.311 7.848 -4.606 1.00 11.21 H new ATOM 0 HZ PHE A 49 -7.095 8.062 -6.323 1.00 64.11 H new ATOM 766 N ALA A 50 -3.605 2.910 -2.805 1.00 73.32 N ATOM 767 CA ALA A 50 -3.234 3.492 -1.517 1.00 3.01 C ATOM 768 C ALA A 50 -1.786 3.972 -1.576 1.00 42.41 C ATOM 769 O ALA A 50 -1.102 3.741 -2.572 1.00 62.41 O ATOM 770 CB ALA A 50 -3.433 2.474 -0.383 1.00 34.41 C ATOM 0 H ALA A 50 -2.810 2.519 -3.310 1.00 73.32 H new ATOM 0 HA ALA A 50 -3.880 4.345 -1.309 1.00 3.01 H new ATOM 0 HB1 ALA A 50 -3.151 2.928 0.567 1.00 34.41 H new ATOM 0 HB2 ALA A 50 -4.480 2.172 -0.344 1.00 34.41 H new ATOM 0 HB3 ALA A 50 -2.810 1.599 -0.566 1.00 34.41 H new ATOM 776 N PHE A 51 -1.316 4.605 -0.504 1.00 53.22 N ATOM 777 CA PHE A 51 -0.002 5.214 -0.384 1.00 12.31 C ATOM 778 C PHE A 51 0.571 4.814 0.965 1.00 54.34 C ATOM 779 O PHE A 51 -0.165 4.796 1.948 1.00 11.44 O ATOM 780 CB PHE A 51 -0.158 6.739 -0.459 1.00 3.05 C ATOM 781 CG PHE A 51 -0.835 7.217 -1.721 1.00 33.45 C ATOM 782 CD1 PHE A 51 -2.212 7.508 -1.714 1.00 2.33 C ATOM 783 CD2 PHE A 51 -0.101 7.315 -2.912 1.00 24.41 C ATOM 784 CE1 PHE A 51 -2.849 7.895 -2.901 1.00 72.42 C ATOM 785 CE2 PHE A 51 -0.745 7.681 -4.106 1.00 23.52 C ATOM 786 CZ PHE A 51 -2.120 7.971 -4.100 1.00 23.41 C ATOM 0 H PHE A 51 -1.872 4.710 0.345 1.00 53.22 H new ATOM 0 HA PHE A 51 0.662 4.885 -1.183 1.00 12.31 H new ATOM 0 HB2 PHE A 51 -0.732 7.080 0.403 1.00 3.05 H new ATOM 0 HB3 PHE A 51 0.827 7.200 -0.388 1.00 3.05 H new ATOM 0 HD1 PHE A 51 -2.776 7.433 -0.796 1.00 2.33 H new ATOM 0 HD2 PHE A 51 0.959 7.109 -2.911 1.00 24.41 H new ATOM 0 HE1 PHE A 51 -3.902 8.135 -2.894 1.00 72.42 H new ATOM 0 HE2 PHE A 51 -0.184 7.739 -5.027 1.00 23.52 H new ATOM 0 HZ PHE A 51 -2.617 8.252 -5.017 1.00 23.41 H new ATOM 796 N ILE A 52 1.868 4.550 1.018 1.00 44.33 N ATOM 797 CA ILE A 52 2.653 4.168 2.182 1.00 24.33 C ATOM 798 C ILE A 52 3.746 5.219 2.344 1.00 21.22 C ATOM 799 O ILE A 52 4.634 5.331 1.495 1.00 10.15 O ATOM 800 CB ILE A 52 3.201 2.735 2.038 1.00 51.30 C ATOM 801 CG1 ILE A 52 2.099 1.682 1.796 1.00 72.42 C ATOM 802 CG2 ILE A 52 4.070 2.357 3.245 1.00 5.02 C ATOM 803 CD1 ILE A 52 2.626 0.412 1.127 1.00 52.20 C ATOM 0 H ILE A 52 2.446 4.602 0.179 1.00 44.33 H new ATOM 0 HA ILE A 52 2.042 4.143 3.084 1.00 24.33 H new ATOM 0 HB ILE A 52 3.824 2.733 1.143 1.00 51.30 H new ATOM 0 HG12 ILE A 52 1.638 1.420 2.748 1.00 72.42 H new ATOM 0 HG13 ILE A 52 1.318 2.118 1.173 1.00 72.42 H new ATOM 0 HG21 ILE A 52 4.445 1.341 3.120 1.00 5.02 H new ATOM 0 HG22 ILE A 52 4.910 3.047 3.319 1.00 5.02 H new ATOM 0 HG23 ILE A 52 3.473 2.414 4.155 1.00 5.02 H new ATOM 0 HD11 ILE A 52 1.805 -0.291 0.983 1.00 52.20 H new ATOM 0 HD12 ILE A 52 3.062 0.664 0.160 1.00 52.20 H new ATOM 0 HD13 ILE A 52 3.387 -0.044 1.760 1.00 52.20 H new ATOM 815 N GLN A 53 3.625 6.035 3.392 1.00 54.43 N ATOM 816 CA GLN A 53 4.572 7.089 3.721 1.00 72.42 C ATOM 817 C GLN A 53 5.593 6.487 4.682 1.00 33.23 C ATOM 818 O GLN A 53 5.215 5.928 5.718 1.00 33.33 O ATOM 819 CB GLN A 53 3.860 8.306 4.344 1.00 62.52 C ATOM 820 CG GLN A 53 3.063 9.163 3.337 1.00 63.43 C ATOM 821 CD GLN A 53 1.607 8.722 3.156 1.00 62.44 C ATOM 822 OE1 GLN A 53 0.662 9.343 3.643 1.00 52.12 O ATOM 823 NE2 GLN A 53 1.370 7.653 2.421 1.00 51.02 N ATOM 0 H GLN A 53 2.846 5.976 4.048 1.00 54.43 H new ATOM 0 HA GLN A 53 5.066 7.456 2.821 1.00 72.42 H new ATOM 0 HB2 GLN A 53 3.181 7.956 5.122 1.00 62.52 H new ATOM 0 HB3 GLN A 53 4.604 8.937 4.831 1.00 62.52 H new ATOM 0 HG2 GLN A 53 3.079 10.202 3.668 1.00 63.43 H new ATOM 0 HG3 GLN A 53 3.565 9.129 2.370 1.00 63.43 H new ATOM 0 HE21 GLN A 53 2.146 7.132 2.013 1.00 51.02 H new ATOM 0 HE22 GLN A 53 0.410 7.347 2.260 1.00 51.02 H new ATOM 832 N LEU A 54 6.875 6.580 4.335 1.00 72.31 N ATOM 833 CA LEU A 54 8.004 6.041 5.085 1.00 63.32 C ATOM 834 C LEU A 54 9.163 7.039 5.017 1.00 32.55 C ATOM 835 O LEU A 54 9.106 8.015 4.260 1.00 31.53 O ATOM 836 CB LEU A 54 8.402 4.677 4.491 1.00 30.51 C ATOM 837 CG LEU A 54 7.536 3.496 4.958 1.00 70.40 C ATOM 838 CD1 LEU A 54 7.822 2.281 4.075 1.00 32.22 C ATOM 839 CD2 LEU A 54 7.826 3.124 6.413 1.00 62.31 C ATOM 0 H LEU A 54 7.167 7.057 3.482 1.00 72.31 H new ATOM 0 HA LEU A 54 7.737 5.891 6.131 1.00 63.32 H new ATOM 0 HB2 LEU A 54 8.350 4.740 3.404 1.00 30.51 H new ATOM 0 HB3 LEU A 54 9.441 4.473 4.749 1.00 30.51 H new ATOM 0 HG LEU A 54 6.491 3.796 4.880 1.00 70.40 H new ATOM 0 HD11 LEU A 54 7.210 1.441 4.403 1.00 32.22 H new ATOM 0 HD12 LEU A 54 7.584 2.520 3.039 1.00 32.22 H new ATOM 0 HD13 LEU A 54 8.876 2.014 4.153 1.00 32.22 H new ATOM 0 HD21 LEU A 54 7.195 2.285 6.707 1.00 62.31 H new ATOM 0 HD22 LEU A 54 8.874 2.842 6.515 1.00 62.31 H new ATOM 0 HD23 LEU A 54 7.616 3.979 7.056 1.00 62.31 H new ATOM 851 N SER A 55 10.196 6.808 5.828 1.00 42.11 N ATOM 852 CA SER A 55 11.387 7.644 5.883 1.00 2.15 C ATOM 853 C SER A 55 12.170 7.574 4.562 1.00 25.54 C ATOM 854 O SER A 55 11.966 6.659 3.759 1.00 52.43 O ATOM 855 CB SER A 55 12.234 7.177 7.073 1.00 45.33 C ATOM 856 OG SER A 55 13.155 8.165 7.467 1.00 61.30 O ATOM 0 H SER A 55 10.225 6.020 6.475 1.00 42.11 H new ATOM 0 HA SER A 55 11.111 8.690 6.020 1.00 2.15 H new ATOM 0 HB2 SER A 55 11.582 6.930 7.911 1.00 45.33 H new ATOM 0 HB3 SER A 55 12.768 6.265 6.806 1.00 45.33 H new ATOM 0 HG SER A 55 13.679 7.839 8.228 1.00 61.30 H new ATOM 862 N THR A 56 13.111 8.508 4.386 1.00 11.23 N ATOM 863 CA THR A 56 13.852 8.815 3.161 1.00 11.42 C ATOM 864 C THR A 56 14.514 7.593 2.508 1.00 73.41 C ATOM 865 O THR A 56 14.730 7.584 1.299 1.00 50.21 O ATOM 866 CB THR A 56 14.937 9.870 3.485 1.00 43.10 C ATOM 867 OG1 THR A 56 14.493 10.850 4.408 1.00 41.14 O ATOM 868 CG2 THR A 56 15.409 10.613 2.235 1.00 24.14 C ATOM 0 H THR A 56 13.395 9.114 5.156 1.00 11.23 H new ATOM 0 HA THR A 56 13.125 9.191 2.441 1.00 11.42 H new ATOM 0 HB THR A 56 15.755 9.296 3.921 1.00 43.10 H new ATOM 0 HG1 THR A 56 15.216 11.490 4.579 1.00 41.14 H new ATOM 0 HG21 THR A 56 16.170 11.343 2.511 1.00 24.14 H new ATOM 0 HG22 THR A 56 15.830 9.901 1.526 1.00 24.14 H new ATOM 0 HG23 THR A 56 14.564 11.126 1.776 1.00 24.14 H new ATOM 876 N ILE A 57 14.883 6.590 3.302 1.00 74.13 N ATOM 877 CA ILE A 57 15.584 5.384 2.871 1.00 50.41 C ATOM 878 C ILE A 57 14.733 4.145 3.136 1.00 22.45 C ATOM 879 O ILE A 57 14.869 3.141 2.446 1.00 71.23 O ATOM 880 CB ILE A 57 16.972 5.344 3.547 1.00 73.21 C ATOM 881 CG1 ILE A 57 17.759 6.630 3.214 1.00 21.52 C ATOM 882 CG2 ILE A 57 17.748 4.072 3.188 1.00 43.32 C ATOM 883 CD1 ILE A 57 19.098 6.723 3.931 1.00 21.11 C ATOM 0 H ILE A 57 14.694 6.596 4.304 1.00 74.13 H new ATOM 0 HA ILE A 57 15.749 5.398 1.794 1.00 50.41 H new ATOM 0 HB ILE A 57 16.829 5.309 4.627 1.00 73.21 H new ATOM 0 HG12 ILE A 57 17.928 6.675 2.138 1.00 21.52 H new ATOM 0 HG13 ILE A 57 17.153 7.497 3.478 1.00 21.52 H new ATOM 0 HG21 ILE A 57 18.718 4.085 3.685 1.00 43.32 H new ATOM 0 HG22 ILE A 57 17.185 3.198 3.515 1.00 43.32 H new ATOM 0 HG23 ILE A 57 17.894 4.027 2.109 1.00 43.32 H new ATOM 0 HD11 ILE A 57 19.597 7.651 3.651 1.00 21.11 H new ATOM 0 HD12 ILE A 57 18.935 6.709 5.009 1.00 21.11 H new ATOM 0 HD13 ILE A 57 19.722 5.876 3.648 1.00 21.11 H new ATOM 895 N GLU A 58 13.834 4.205 4.110 1.00 43.01 N ATOM 896 CA GLU A 58 13.032 3.072 4.544 1.00 14.33 C ATOM 897 C GLU A 58 12.079 2.620 3.450 1.00 21.44 C ATOM 898 O GLU A 58 11.991 1.424 3.183 1.00 73.52 O ATOM 899 CB GLU A 58 12.257 3.479 5.791 1.00 43.00 C ATOM 900 CG GLU A 58 13.205 3.627 6.981 1.00 64.12 C ATOM 901 CD GLU A 58 13.492 2.273 7.620 1.00 64.21 C ATOM 902 OE1 GLU A 58 14.232 1.476 7.016 1.00 62.44 O ATOM 903 OE2 GLU A 58 12.892 2.013 8.697 1.00 65.40 O ATOM 0 H GLU A 58 13.639 5.061 4.630 1.00 43.01 H new ATOM 0 HA GLU A 58 13.688 2.231 4.768 1.00 14.33 H new ATOM 0 HB2 GLU A 58 11.737 4.420 5.613 1.00 43.00 H new ATOM 0 HB3 GLU A 58 11.496 2.731 6.015 1.00 43.00 H new ATOM 0 HG2 GLU A 58 14.139 4.084 6.653 1.00 64.12 H new ATOM 0 HG3 GLU A 58 12.765 4.297 7.720 1.00 64.12 H new ATOM 910 N ALA A 59 11.409 3.576 2.797 1.00 23.21 N ATOM 911 CA ALA A 59 10.536 3.291 1.658 1.00 65.14 C ATOM 912 C ALA A 59 11.313 2.496 0.600 1.00 34.35 C ATOM 913 O ALA A 59 10.916 1.393 0.221 1.00 30.22 O ATOM 914 CB ALA A 59 9.976 4.594 1.073 1.00 1.11 C ATOM 0 H ALA A 59 11.458 4.565 3.044 1.00 23.21 H new ATOM 0 HA ALA A 59 9.691 2.689 1.993 1.00 65.14 H new ATOM 0 HB1 ALA A 59 9.329 4.364 0.227 1.00 1.11 H new ATOM 0 HB2 ALA A 59 9.402 5.119 1.837 1.00 1.11 H new ATOM 0 HB3 ALA A 59 10.799 5.226 0.739 1.00 1.11 H new ATOM 920 N ALA A 60 12.450 3.050 0.179 1.00 30.21 N ATOM 921 CA ALA A 60 13.365 2.460 -0.776 1.00 71.10 C ATOM 922 C ALA A 60 13.834 1.064 -0.356 1.00 63.30 C ATOM 923 O ALA A 60 13.849 0.156 -1.190 1.00 24.13 O ATOM 924 CB ALA A 60 14.551 3.418 -0.940 1.00 70.41 C ATOM 0 H ALA A 60 12.764 3.961 0.513 1.00 30.21 H new ATOM 0 HA ALA A 60 12.850 2.321 -1.727 1.00 71.10 H new ATOM 0 HB1 ALA A 60 15.260 3.000 -1.655 1.00 70.41 H new ATOM 0 HB2 ALA A 60 14.193 4.381 -1.304 1.00 70.41 H new ATOM 0 HB3 ALA A 60 15.044 3.554 0.022 1.00 70.41 H new ATOM 930 N GLN A 61 14.253 0.875 0.900 1.00 50.14 N ATOM 931 CA GLN A 61 14.721 -0.412 1.410 1.00 14.23 C ATOM 932 C GLN A 61 13.603 -1.436 1.288 1.00 5.32 C ATOM 933 O GLN A 61 13.766 -2.422 0.573 1.00 73.11 O ATOM 934 CB GLN A 61 15.218 -0.303 2.866 1.00 72.43 C ATOM 935 CG GLN A 61 16.603 0.347 2.900 1.00 2.42 C ATOM 936 CD GLN A 61 17.279 0.366 4.271 1.00 74.50 C ATOM 937 OE1 GLN A 61 18.464 0.050 4.352 1.00 24.32 O ATOM 938 NE2 GLN A 61 16.616 0.760 5.348 1.00 23.52 N ATOM 0 H GLN A 61 14.276 1.621 1.596 1.00 50.14 H new ATOM 0 HA GLN A 61 15.573 -0.735 0.812 1.00 14.23 H new ATOM 0 HB2 GLN A 61 14.516 0.287 3.455 1.00 72.43 H new ATOM 0 HB3 GLN A 61 15.261 -1.293 3.319 1.00 72.43 H new ATOM 0 HG2 GLN A 61 17.251 -0.180 2.200 1.00 2.42 H new ATOM 0 HG3 GLN A 61 16.514 1.373 2.542 1.00 2.42 H new ATOM 0 HE21 GLN A 61 15.633 1.021 5.274 1.00 23.52 H new ATOM 0 HE22 GLN A 61 17.089 0.802 6.251 1.00 23.52 H new ATOM 947 N LEU A 62 12.475 -1.174 1.950 1.00 3.13 N ATOM 948 CA LEU A 62 11.335 -2.073 2.038 1.00 72.53 C ATOM 949 C LEU A 62 10.903 -2.509 0.640 1.00 70.20 C ATOM 950 O LEU A 62 10.744 -3.697 0.366 1.00 1.11 O ATOM 951 CB LEU A 62 10.223 -1.356 2.819 1.00 65.31 C ATOM 952 CG LEU A 62 9.109 -2.270 3.348 1.00 23.54 C ATOM 953 CD1 LEU A 62 8.265 -1.440 4.319 1.00 11.15 C ATOM 954 CD2 LEU A 62 8.187 -2.875 2.289 1.00 24.23 C ATOM 0 H LEU A 62 12.330 -0.300 2.455 1.00 3.13 H new ATOM 0 HA LEU A 62 11.590 -2.988 2.573 1.00 72.53 H new ATOM 0 HB2 LEU A 62 10.672 -0.831 3.662 1.00 65.31 H new ATOM 0 HB3 LEU A 62 9.776 -0.600 2.174 1.00 65.31 H new ATOM 0 HG LEU A 62 9.602 -3.124 3.812 1.00 23.54 H new ATOM 0 HD11 LEU A 62 7.459 -2.056 4.719 1.00 11.15 H new ATOM 0 HD12 LEU A 62 8.893 -1.088 5.138 1.00 11.15 H new ATOM 0 HD13 LEU A 62 7.841 -0.584 3.793 1.00 11.15 H new ATOM 0 HD21 LEU A 62 7.439 -3.502 2.774 1.00 24.23 H new ATOM 0 HD22 LEU A 62 7.690 -2.075 1.740 1.00 24.23 H new ATOM 0 HD23 LEU A 62 8.774 -3.479 1.598 1.00 24.23 H new ATOM 966 N LEU A 63 10.753 -1.554 -0.272 1.00 43.04 N ATOM 967 CA LEU A 63 10.342 -1.850 -1.632 1.00 34.44 C ATOM 968 C LEU A 63 11.355 -2.751 -2.343 1.00 52.33 C ATOM 969 O LEU A 63 10.935 -3.701 -2.994 1.00 11.02 O ATOM 970 CB LEU A 63 10.209 -0.523 -2.384 1.00 71.10 C ATOM 971 CG LEU A 63 9.744 -0.694 -3.845 1.00 11.05 C ATOM 972 CD1 LEU A 63 8.309 -0.190 -3.989 1.00 12.25 C ATOM 973 CD2 LEU A 63 10.705 0.046 -4.777 1.00 70.20 C ATOM 0 H LEU A 63 10.912 -0.563 -0.088 1.00 43.04 H new ATOM 0 HA LEU A 63 9.392 -2.384 -1.612 1.00 34.44 H new ATOM 0 HB2 LEU A 63 9.501 0.116 -1.857 1.00 71.10 H new ATOM 0 HB3 LEU A 63 11.170 -0.009 -2.374 1.00 71.10 H new ATOM 0 HG LEU A 63 9.755 -1.748 -4.123 1.00 11.05 H new ATOM 0 HD11 LEU A 63 7.983 -0.312 -5.022 1.00 12.25 H new ATOM 0 HD12 LEU A 63 7.655 -0.763 -3.332 1.00 12.25 H new ATOM 0 HD13 LEU A 63 8.265 0.864 -3.716 1.00 12.25 H new ATOM 0 HD21 LEU A 63 10.376 -0.075 -5.809 1.00 70.20 H new ATOM 0 HD22 LEU A 63 10.716 1.106 -4.521 1.00 70.20 H new ATOM 0 HD23 LEU A 63 11.709 -0.365 -4.665 1.00 70.20 H new ATOM 985 N GLN A 64 12.662 -2.485 -2.259 1.00 3.05 N ATOM 986 CA GLN A 64 13.641 -3.322 -2.956 1.00 32.25 C ATOM 987 C GLN A 64 13.555 -4.772 -2.471 1.00 52.43 C ATOM 988 O GLN A 64 13.696 -5.684 -3.285 1.00 34.35 O ATOM 989 CB GLN A 64 15.075 -2.814 -2.740 1.00 31.13 C ATOM 990 CG GLN A 64 15.432 -1.567 -3.525 1.00 3.42 C ATOM 991 CD GLN A 64 16.685 -0.877 -2.987 1.00 61.52 C ATOM 992 OE1 GLN A 64 17.736 -0.834 -3.624 1.00 11.03 O ATOM 993 NE2 GLN A 64 16.578 -0.314 -1.797 1.00 31.11 N ATOM 0 H GLN A 64 13.060 -1.712 -1.726 1.00 3.05 H new ATOM 0 HA GLN A 64 13.403 -3.271 -4.019 1.00 32.25 H new ATOM 0 HB2 GLN A 64 15.218 -2.612 -1.679 1.00 31.13 H new ATOM 0 HB3 GLN A 64 15.771 -3.608 -3.010 1.00 31.13 H new ATOM 0 HG2 GLN A 64 15.587 -1.832 -4.571 1.00 3.42 H new ATOM 0 HG3 GLN A 64 14.595 -0.870 -3.494 1.00 3.42 H new ATOM 0 HE21 GLN A 64 15.696 -0.363 -1.287 1.00 31.11 H new ATOM 0 HE22 GLN A 64 17.378 0.169 -1.388 1.00 31.11 H new ATOM 1002 N ILE A 65 13.292 -4.991 -1.173 1.00 72.54 N ATOM 1003 CA ILE A 65 13.042 -6.326 -0.633 1.00 32.13 C ATOM 1004 C ILE A 65 11.960 -7.001 -1.484 1.00 5.24 C ATOM 1005 O ILE A 65 12.205 -8.030 -2.112 1.00 23.42 O ATOM 1006 CB ILE A 65 12.741 -6.305 0.894 1.00 33.33 C ATOM 1007 CG1 ILE A 65 13.863 -5.628 1.708 1.00 23.14 C ATOM 1008 CG2 ILE A 65 12.475 -7.703 1.470 1.00 11.24 C ATOM 1009 CD1 ILE A 65 13.460 -5.266 3.142 1.00 22.43 C ATOM 0 H ILE A 65 13.248 -4.248 -0.476 1.00 72.54 H new ATOM 0 HA ILE A 65 13.946 -6.930 -0.703 1.00 32.13 H new ATOM 0 HB ILE A 65 11.830 -5.714 0.989 1.00 33.33 H new ATOM 0 HG12 ILE A 65 14.726 -6.293 1.741 1.00 23.14 H new ATOM 0 HG13 ILE A 65 14.178 -4.722 1.190 1.00 23.14 H new ATOM 0 HG21 ILE A 65 12.272 -7.624 2.538 1.00 11.24 H new ATOM 0 HG22 ILE A 65 11.614 -8.145 0.968 1.00 11.24 H new ATOM 0 HG23 ILE A 65 13.350 -8.334 1.313 1.00 11.24 H new ATOM 0 HD11 ILE A 65 14.302 -4.794 3.649 1.00 22.43 H new ATOM 0 HD12 ILE A 65 12.617 -4.575 3.120 1.00 22.43 H new ATOM 0 HD13 ILE A 65 13.174 -6.170 3.679 1.00 22.43 H new ATOM 1021 N LEU A 66 10.790 -6.371 -1.574 1.00 65.41 N ATOM 1022 CA LEU A 66 9.610 -6.846 -2.293 1.00 74.50 C ATOM 1023 C LEU A 66 9.815 -7.024 -3.794 1.00 3.41 C ATOM 1024 O LEU A 66 8.994 -7.692 -4.425 1.00 21.55 O ATOM 1025 CB LEU A 66 8.478 -5.821 -2.095 1.00 22.14 C ATOM 1026 CG LEU A 66 7.700 -5.877 -0.774 1.00 52.01 C ATOM 1027 CD1 LEU A 66 8.452 -6.363 0.473 1.00 64.10 C ATOM 1028 CD2 LEU A 66 7.059 -4.516 -0.517 1.00 52.03 C ATOM 0 H LEU A 66 10.632 -5.469 -1.124 1.00 65.41 H new ATOM 0 HA LEU A 66 9.377 -7.829 -1.884 1.00 74.50 H new ATOM 0 HB2 LEU A 66 8.906 -4.823 -2.192 1.00 22.14 H new ATOM 0 HB3 LEU A 66 7.766 -5.943 -2.911 1.00 22.14 H new ATOM 0 HG LEU A 66 6.960 -6.662 -0.927 1.00 52.01 H new ATOM 0 HD11 LEU A 66 7.780 -6.351 1.331 1.00 64.10 H new ATOM 0 HD12 LEU A 66 8.812 -7.379 0.308 1.00 64.10 H new ATOM 0 HD13 LEU A 66 9.299 -5.705 0.666 1.00 64.10 H new ATOM 0 HD21 LEU A 66 6.504 -4.547 0.420 1.00 52.03 H new ATOM 0 HD22 LEU A 66 7.836 -3.754 -0.454 1.00 52.03 H new ATOM 0 HD23 LEU A 66 6.379 -4.274 -1.334 1.00 52.03 H new ATOM 1040 N GLN A 67 10.859 -6.450 -4.388 1.00 61.43 N ATOM 1041 CA GLN A 67 11.099 -6.567 -5.823 1.00 5.25 C ATOM 1042 C GLN A 67 12.127 -7.652 -6.138 1.00 25.55 C ATOM 1043 O GLN A 67 12.547 -7.783 -7.293 1.00 73.40 O ATOM 1044 CB GLN A 67 11.500 -5.189 -6.370 1.00 34.15 C ATOM 1045 CG GLN A 67 10.323 -4.200 -6.301 1.00 23.22 C ATOM 1046 CD GLN A 67 10.567 -2.905 -7.075 1.00 21.14 C ATOM 1047 OE1 GLN A 67 11.654 -2.637 -7.580 1.00 72.50 O ATOM 1048 NE2 GLN A 67 9.550 -2.072 -7.200 1.00 74.53 N ATOM 0 H GLN A 67 11.557 -5.895 -3.892 1.00 61.43 H new ATOM 0 HA GLN A 67 10.184 -6.884 -6.323 1.00 5.25 H new ATOM 0 HB2 GLN A 67 12.341 -4.798 -5.798 1.00 34.15 H new ATOM 0 HB3 GLN A 67 11.836 -5.288 -7.402 1.00 34.15 H new ATOM 0 HG2 GLN A 67 9.429 -4.685 -6.692 1.00 23.22 H new ATOM 0 HG3 GLN A 67 10.123 -3.958 -5.257 1.00 23.22 H new ATOM 0 HE21 GLN A 67 8.649 -2.300 -6.779 1.00 74.53 H new ATOM 0 HE22 GLN A 67 9.665 -1.201 -7.718 1.00 74.53 H new ATOM 1057 N ALA A 68 12.446 -8.504 -5.157 1.00 14.35 N ATOM 1058 CA ALA A 68 13.486 -9.511 -5.277 1.00 52.14 C ATOM 1059 C ALA A 68 13.031 -10.912 -4.860 1.00 52.30 C ATOM 1060 O ALA A 68 13.878 -11.789 -4.680 1.00 33.45 O ATOM 1061 CB ALA A 68 14.645 -9.062 -4.391 1.00 70.12 C ATOM 0 H ALA A 68 11.979 -8.507 -4.250 1.00 14.35 H new ATOM 0 HA ALA A 68 13.771 -9.592 -6.326 1.00 52.14 H new ATOM 0 HB1 ALA A 68 15.452 -9.792 -4.450 1.00 70.12 H new ATOM 0 HB2 ALA A 68 15.007 -8.092 -4.730 1.00 70.12 H new ATOM 0 HB3 ALA A 68 14.304 -8.982 -3.359 1.00 70.12 H new ATOM 1067 N LEU A 69 11.724 -11.142 -4.700 1.00 42.20 N ATOM 1068 CA LEU A 69 11.213 -12.341 -4.040 1.00 34.51 C ATOM 1069 C LEU A 69 9.800 -12.682 -4.523 1.00 74.20 C ATOM 1070 O LEU A 69 9.334 -12.113 -5.510 1.00 70.51 O ATOM 1071 CB LEU A 69 11.344 -12.154 -2.515 1.00 4.03 C ATOM 1072 CG LEU A 69 10.689 -10.902 -1.905 1.00 51.44 C ATOM 1073 CD1 LEU A 69 9.198 -11.089 -1.633 1.00 4.11 C ATOM 1074 CD2 LEU A 69 11.417 -10.562 -0.609 1.00 44.14 C ATOM 0 H LEU A 69 10.996 -10.504 -5.023 1.00 42.20 H new ATOM 0 HA LEU A 69 11.806 -13.215 -4.310 1.00 34.51 H new ATOM 0 HB2 LEU A 69 10.917 -13.031 -2.028 1.00 4.03 H new ATOM 0 HB3 LEU A 69 12.405 -12.137 -2.266 1.00 4.03 H new ATOM 0 HG LEU A 69 10.773 -10.089 -2.626 1.00 51.44 H new ATOM 0 HD11 LEU A 69 8.789 -10.175 -1.203 1.00 4.11 H new ATOM 0 HD12 LEU A 69 8.683 -11.313 -2.567 1.00 4.11 H new ATOM 0 HD13 LEU A 69 9.056 -11.913 -0.934 1.00 4.11 H new ATOM 0 HD21 LEU A 69 10.967 -9.676 -0.161 1.00 44.14 H new ATOM 0 HD22 LEU A 69 11.337 -11.400 0.084 1.00 44.14 H new ATOM 0 HD23 LEU A 69 12.468 -10.367 -0.822 1.00 44.14 H new ATOM 1086 N HIS A 70 9.151 -13.656 -3.878 1.00 72.32 N ATOM 1087 CA HIS A 70 7.811 -14.152 -4.208 1.00 5.31 C ATOM 1088 C HIS A 70 6.782 -13.032 -4.449 1.00 70.12 C ATOM 1089 O HIS A 70 6.873 -11.967 -3.836 1.00 25.21 O ATOM 1090 CB HIS A 70 7.318 -15.063 -3.067 1.00 52.41 C ATOM 1091 CG HIS A 70 7.634 -16.527 -3.238 1.00 11.32 C ATOM 1092 ND1 HIS A 70 6.893 -17.569 -2.728 1.00 74.31 N ATOM 1093 CD2 HIS A 70 8.663 -17.067 -3.959 1.00 24.25 C ATOM 1094 CE1 HIS A 70 7.454 -18.712 -3.144 1.00 72.43 C ATOM 1095 NE2 HIS A 70 8.514 -18.459 -3.931 1.00 44.30 N ATOM 0 H HIS A 70 9.561 -14.140 -3.079 1.00 72.32 H new ATOM 0 HA HIS A 70 7.897 -14.702 -5.145 1.00 5.31 H new ATOM 0 HB2 HIS A 70 7.759 -14.719 -2.131 1.00 52.41 H new ATOM 0 HB3 HIS A 70 6.238 -14.949 -2.972 1.00 52.41 H new ATOM 0 HD2 HIS A 70 9.448 -16.519 -4.459 1.00 24.25 H new ATOM 0 HE1 HIS A 70 7.103 -19.700 -2.883 1.00 72.43 H new ATOM 0 HE2 HIS A 70 9.095 -19.145 -4.413 1.00 44.30 H new ATOM 1103 N PRO A 71 5.743 -13.282 -5.263 1.00 13.31 N ATOM 1104 CA PRO A 71 4.737 -12.278 -5.582 1.00 14.15 C ATOM 1105 C PRO A 71 3.934 -11.868 -4.341 1.00 30.42 C ATOM 1106 O PRO A 71 3.880 -12.622 -3.358 1.00 61.24 O ATOM 1107 CB PRO A 71 3.829 -12.928 -6.629 1.00 33.23 C ATOM 1108 CG PRO A 71 3.980 -14.417 -6.346 1.00 73.20 C ATOM 1109 CD PRO A 71 5.445 -14.531 -5.941 1.00 41.23 C ATOM 0 HA PRO A 71 5.198 -11.363 -5.954 1.00 14.15 H new ATOM 0 HB2 PRO A 71 2.795 -12.601 -6.523 1.00 33.23 H new ATOM 0 HB3 PRO A 71 4.140 -12.677 -7.643 1.00 33.23 H new ATOM 0 HG2 PRO A 71 3.312 -14.748 -5.551 1.00 73.20 H new ATOM 0 HG3 PRO A 71 3.754 -15.022 -7.224 1.00 73.20 H new ATOM 0 HD2 PRO A 71 5.608 -15.386 -5.284 1.00 41.23 H new ATOM 0 HD3 PRO A 71 6.086 -14.671 -6.812 1.00 41.23 H new ATOM 1117 N PRO A 72 3.250 -10.713 -4.390 1.00 2.25 N ATOM 1118 CA PRO A 72 2.427 -10.258 -3.288 1.00 13.15 C ATOM 1119 C PRO A 72 1.192 -11.149 -3.124 1.00 5.43 C ATOM 1120 O PRO A 72 0.845 -11.984 -3.972 1.00 11.11 O ATOM 1121 CB PRO A 72 2.066 -8.803 -3.600 1.00 50.24 C ATOM 1122 CG PRO A 72 2.107 -8.763 -5.121 1.00 54.13 C ATOM 1123 CD PRO A 72 3.197 -9.762 -5.490 1.00 44.00 C ATOM 0 HA PRO A 72 2.954 -10.318 -2.336 1.00 13.15 H new ATOM 0 HB2 PRO A 72 1.081 -8.539 -3.215 1.00 50.24 H new ATOM 0 HB3 PRO A 72 2.778 -8.106 -3.158 1.00 50.24 H new ATOM 0 HG2 PRO A 72 1.146 -9.043 -5.553 1.00 54.13 H new ATOM 0 HG3 PRO A 72 2.342 -7.764 -5.487 1.00 54.13 H new ATOM 0 HD2 PRO A 72 2.966 -10.263 -6.430 1.00 44.00 H new ATOM 0 HD3 PRO A 72 4.157 -9.263 -5.622 1.00 44.00 H new ATOM 1131 N LEU A 73 0.550 -10.951 -1.981 1.00 74.11 N ATOM 1132 CA LEU A 73 -0.546 -11.728 -1.450 1.00 73.11 C ATOM 1133 C LEU A 73 -1.878 -11.120 -1.896 1.00 43.42 C ATOM 1134 O LEU A 73 -1.934 -10.087 -2.579 1.00 70.50 O ATOM 1135 CB LEU A 73 -0.372 -11.733 0.087 1.00 3.32 C ATOM 1136 CG LEU A 73 -0.405 -13.119 0.751 1.00 14.15 C ATOM 1137 CD1 LEU A 73 0.592 -13.160 1.914 1.00 43.22 C ATOM 1138 CD2 LEU A 73 -1.797 -13.445 1.283 1.00 43.32 C ATOM 0 H LEU A 73 0.806 -10.184 -1.359 1.00 74.11 H new ATOM 0 HA LEU A 73 -0.547 -12.754 -1.818 1.00 73.11 H new ATOM 0 HB2 LEU A 73 0.577 -11.255 0.329 1.00 3.32 H new ATOM 0 HB3 LEU A 73 -1.159 -11.120 0.526 1.00 3.32 H new ATOM 0 HG LEU A 73 -0.136 -13.858 -0.004 1.00 14.15 H new ATOM 0 HD11 LEU A 73 0.565 -14.144 2.382 1.00 43.22 H new ATOM 0 HD12 LEU A 73 1.597 -12.964 1.539 1.00 43.22 H new ATOM 0 HD13 LEU A 73 0.324 -12.401 2.650 1.00 43.22 H new ATOM 0 HD21 LEU A 73 -1.788 -14.431 1.747 1.00 43.32 H new ATOM 0 HD22 LEU A 73 -2.088 -12.699 2.023 1.00 43.32 H new ATOM 0 HD23 LEU A 73 -2.512 -13.438 0.460 1.00 43.32 H new ATOM 1150 N THR A 74 -2.966 -11.742 -1.460 1.00 41.33 N ATOM 1151 CA THR A 74 -4.313 -11.222 -1.574 1.00 53.43 C ATOM 1152 C THR A 74 -4.999 -11.378 -0.218 1.00 24.43 C ATOM 1153 O THR A 74 -4.719 -12.299 0.548 1.00 50.32 O ATOM 1154 CB THR A 74 -5.063 -11.897 -2.741 1.00 10.32 C ATOM 1155 OG1 THR A 74 -6.464 -11.851 -2.536 1.00 2.04 O ATOM 1156 CG2 THR A 74 -4.736 -13.362 -2.985 1.00 32.35 C ATOM 0 H THR A 74 -2.928 -12.653 -1.003 1.00 41.33 H new ATOM 0 HA THR A 74 -4.307 -10.161 -1.822 1.00 53.43 H new ATOM 0 HB THR A 74 -4.728 -11.322 -3.604 1.00 10.32 H new ATOM 0 HG1 THR A 74 -6.864 -12.700 -2.817 1.00 2.04 H new ATOM 0 HG21 THR A 74 -5.321 -13.730 -3.828 1.00 32.35 H new ATOM 0 HG22 THR A 74 -3.674 -13.466 -3.208 1.00 32.35 H new ATOM 0 HG23 THR A 74 -4.978 -13.942 -2.094 1.00 32.35 H new ATOM 1164 N ILE A 75 -5.940 -10.478 0.055 1.00 14.34 N ATOM 1165 CA ILE A 75 -6.702 -10.407 1.292 1.00 54.44 C ATOM 1166 C ILE A 75 -8.207 -10.287 0.965 1.00 32.33 C ATOM 1167 O ILE A 75 -8.953 -9.707 1.747 1.00 54.35 O ATOM 1168 CB ILE A 75 -6.150 -9.265 2.193 1.00 70.54 C ATOM 1169 CG1 ILE A 75 -4.625 -9.000 2.132 1.00 5.04 C ATOM 1170 CG2 ILE A 75 -6.516 -9.560 3.660 1.00 41.00 C ATOM 1171 CD1 ILE A 75 -4.143 -8.031 1.047 1.00 54.01 C ATOM 0 H ILE A 75 -6.201 -9.749 -0.609 1.00 14.34 H new ATOM 0 HA ILE A 75 -6.587 -11.323 1.872 1.00 54.44 H new ATOM 0 HB ILE A 75 -6.618 -8.365 1.795 1.00 70.54 H new ATOM 0 HG12 ILE A 75 -4.307 -8.614 3.100 1.00 5.04 H new ATOM 0 HG13 ILE A 75 -4.118 -9.954 1.987 1.00 5.04 H new ATOM 0 HG21 ILE A 75 -6.132 -8.764 4.298 1.00 41.00 H new ATOM 0 HG22 ILE A 75 -7.600 -9.615 3.761 1.00 41.00 H new ATOM 0 HG23 ILE A 75 -6.075 -10.510 3.961 1.00 41.00 H new ATOM 0 HD11 ILE A 75 -3.060 -7.928 1.106 1.00 54.01 H new ATOM 0 HD12 ILE A 75 -4.417 -8.418 0.066 1.00 54.01 H new ATOM 0 HD13 ILE A 75 -4.609 -7.057 1.196 1.00 54.01 H new ATOM 1183 N ASP A 76 -8.641 -10.703 -0.234 1.00 74.15 N ATOM 1184 CA ASP A 76 -10.057 -10.654 -0.673 1.00 21.50 C ATOM 1185 C ASP A 76 -10.346 -11.468 -1.934 1.00 50.02 C ATOM 1186 O ASP A 76 -11.501 -11.772 -2.225 1.00 3.10 O ATOM 1187 CB ASP A 76 -10.604 -9.225 -0.794 1.00 53.34 C ATOM 1188 CG ASP A 76 -12.050 -9.101 -0.312 1.00 3.11 C ATOM 1189 OD1 ASP A 76 -12.274 -9.251 0.910 1.00 2.04 O ATOM 1190 OD2 ASP A 76 -12.925 -8.720 -1.120 1.00 50.02 O ATOM 0 H ASP A 76 -8.015 -11.089 -0.941 1.00 74.15 H new ATOM 0 HA ASP A 76 -10.602 -11.140 0.136 1.00 21.50 H new ATOM 0 HB2 ASP A 76 -9.974 -8.549 -0.215 1.00 53.34 H new ATOM 0 HB3 ASP A 76 -10.544 -8.905 -1.834 1.00 53.34 H new ATOM 1195 N GLY A 77 -9.307 -11.713 -2.730 1.00 44.04 N ATOM 1196 CA GLY A 77 -9.283 -12.421 -4.006 1.00 64.35 C ATOM 1197 C GLY A 77 -8.661 -11.557 -5.106 1.00 44.05 C ATOM 1198 O GLY A 77 -8.719 -11.908 -6.286 1.00 22.31 O ATOM 0 H GLY A 77 -8.374 -11.390 -2.473 1.00 44.04 H new ATOM 0 HA2 GLY A 77 -8.715 -13.346 -3.901 1.00 64.35 H new ATOM 0 HA3 GLY A 77 -10.298 -12.700 -4.289 1.00 64.35 H new ATOM 1202 N LYS A 78 -8.003 -10.467 -4.699 1.00 32.24 N ATOM 1203 CA LYS A 78 -7.359 -9.458 -5.527 1.00 50.04 C ATOM 1204 C LYS A 78 -5.868 -9.417 -5.208 1.00 11.05 C ATOM 1205 O LYS A 78 -5.494 -9.056 -4.091 1.00 13.33 O ATOM 1206 CB LYS A 78 -8.055 -8.098 -5.334 1.00 22.51 C ATOM 1207 CG LYS A 78 -8.621 -7.764 -3.937 1.00 24.23 C ATOM 1208 CD LYS A 78 -7.629 -7.648 -2.768 1.00 70.25 C ATOM 1209 CE LYS A 78 -8.295 -6.930 -1.593 1.00 12.10 C ATOM 1210 NZ LYS A 78 -7.561 -6.979 -0.312 1.00 64.43 N ATOM 0 H LYS A 78 -7.903 -10.257 -3.706 1.00 32.24 H new ATOM 0 HA LYS A 78 -7.456 -9.711 -6.583 1.00 50.04 H new ATOM 0 HB2 LYS A 78 -7.342 -7.318 -5.601 1.00 22.51 H new ATOM 0 HB3 LYS A 78 -8.875 -8.038 -6.049 1.00 22.51 H new ATOM 0 HG2 LYS A 78 -9.161 -6.820 -4.012 1.00 24.23 H new ATOM 0 HG3 LYS A 78 -9.352 -8.531 -3.680 1.00 24.23 H new ATOM 0 HD2 LYS A 78 -7.298 -8.640 -2.460 1.00 70.25 H new ATOM 0 HD3 LYS A 78 -6.742 -7.100 -3.085 1.00 70.25 H new ATOM 0 HE2 LYS A 78 -8.442 -5.885 -1.866 1.00 12.10 H new ATOM 0 HE3 LYS A 78 -9.284 -7.362 -1.441 1.00 12.10 H new ATOM 0 HZ1 LYS A 78 -8.239 -6.999 0.476 1.00 64.43 H new ATOM 0 HZ2 LYS A 78 -6.971 -7.835 -0.283 1.00 64.43 H new ATOM 0 HZ3 LYS A 78 -6.956 -6.138 -0.226 1.00 64.43 H new ATOM 1224 N THR A 79 -5.002 -9.833 -6.130 1.00 13.31 N ATOM 1225 CA THR A 79 -3.567 -9.812 -5.867 1.00 74.22 C ATOM 1226 C THR A 79 -3.066 -8.368 -5.890 1.00 54.33 C ATOM 1227 O THR A 79 -3.254 -7.677 -6.889 1.00 5.25 O ATOM 1228 CB THR A 79 -2.802 -10.650 -6.892 1.00 44.31 C ATOM 1229 OG1 THR A 79 -3.496 -11.819 -7.317 1.00 23.31 O ATOM 1230 CG2 THR A 79 -1.431 -11.042 -6.336 1.00 10.44 C ATOM 0 H THR A 79 -5.264 -10.183 -7.051 1.00 13.31 H new ATOM 0 HA THR A 79 -3.390 -10.246 -4.883 1.00 74.22 H new ATOM 0 HB THR A 79 -2.692 -10.017 -7.772 1.00 44.31 H new ATOM 0 HG1 THR A 79 -2.950 -12.304 -7.971 1.00 23.31 H new ATOM 0 HG21 THR A 79 -0.896 -11.638 -7.075 1.00 10.44 H new ATOM 0 HG22 THR A 79 -0.858 -10.142 -6.112 1.00 10.44 H new ATOM 0 HG23 THR A 79 -1.561 -11.625 -5.424 1.00 10.44 H new ATOM 1238 N ILE A 80 -2.465 -7.875 -4.812 1.00 21.23 N ATOM 1239 CA ILE A 80 -2.045 -6.476 -4.745 1.00 70.20 C ATOM 1240 C ILE A 80 -0.936 -6.193 -5.777 1.00 21.15 C ATOM 1241 O ILE A 80 -0.290 -7.104 -6.300 1.00 4.33 O ATOM 1242 CB ILE A 80 -1.740 -6.123 -3.267 1.00 50.43 C ATOM 1243 CG1 ILE A 80 -2.967 -6.425 -2.365 1.00 63.13 C ATOM 1244 CG2 ILE A 80 -1.292 -4.670 -3.031 1.00 44.40 C ATOM 1245 CD1 ILE A 80 -4.303 -5.892 -2.893 1.00 32.42 C ATOM 0 H ILE A 80 -2.258 -8.419 -3.975 1.00 21.23 H new ATOM 0 HA ILE A 80 -2.837 -5.790 -5.045 1.00 70.20 H new ATOM 0 HB ILE A 80 -0.894 -6.757 -3.001 1.00 50.43 H new ATOM 0 HG12 ILE A 80 -3.048 -7.504 -2.237 1.00 63.13 H new ATOM 0 HG13 ILE A 80 -2.787 -5.999 -1.378 1.00 63.13 H new ATOM 0 HG21 ILE A 80 -1.101 -4.516 -1.969 1.00 44.40 H new ATOM 0 HG22 ILE A 80 -0.380 -4.474 -3.595 1.00 44.40 H new ATOM 0 HG23 ILE A 80 -2.077 -3.989 -3.361 1.00 44.40 H new ATOM 0 HD11 ILE A 80 -5.100 -6.152 -2.196 1.00 32.42 H new ATOM 0 HD12 ILE A 80 -4.248 -4.808 -2.994 1.00 32.42 H new ATOM 0 HD13 ILE A 80 -4.513 -6.336 -3.866 1.00 32.42 H new ATOM 1257 N ASN A 81 -0.736 -4.920 -6.118 1.00 1.04 N ATOM 1258 CA ASN A 81 0.376 -4.431 -6.931 1.00 50.30 C ATOM 1259 C ASN A 81 1.127 -3.401 -6.103 1.00 43.02 C ATOM 1260 O ASN A 81 0.516 -2.724 -5.270 1.00 12.43 O ATOM 1261 CB ASN A 81 -0.127 -3.761 -8.224 1.00 50.04 C ATOM 1262 CG ASN A 81 -0.016 -4.633 -9.458 1.00 11.41 C ATOM 1263 OD1 ASN A 81 0.351 -4.162 -10.521 1.00 45.44 O ATOM 1264 ND2 ASN A 81 -0.380 -5.895 -9.383 1.00 31.35 N ATOM 0 H ASN A 81 -1.367 -4.174 -5.825 1.00 1.04 H new ATOM 0 HA ASN A 81 1.014 -5.268 -7.213 1.00 50.30 H new ATOM 0 HB2 ASN A 81 -1.169 -3.473 -8.089 1.00 50.04 H new ATOM 0 HB3 ASN A 81 0.439 -2.844 -8.389 1.00 50.04 H new ATOM 0 HD21 ASN A 81 -0.356 -6.483 -10.216 1.00 31.35 H new ATOM 0 HD22 ASN A 81 -0.686 -6.285 -8.492 1.00 31.35 H new ATOM 1271 N VAL A 82 2.419 -3.260 -6.386 1.00 2.22 N ATOM 1272 CA VAL A 82 3.336 -2.353 -5.709 1.00 61.31 C ATOM 1273 C VAL A 82 3.818 -1.351 -6.754 1.00 32.43 C ATOM 1274 O VAL A 82 4.174 -1.743 -7.869 1.00 52.43 O ATOM 1275 CB VAL A 82 4.523 -3.129 -5.076 1.00 45.10 C ATOM 1276 CG1 VAL A 82 5.190 -2.275 -3.988 1.00 24.15 C ATOM 1277 CG2 VAL A 82 4.104 -4.466 -4.432 1.00 3.13 C ATOM 0 H VAL A 82 2.873 -3.798 -7.124 1.00 2.22 H new ATOM 0 HA VAL A 82 2.837 -1.838 -4.888 1.00 61.31 H new ATOM 0 HB VAL A 82 5.209 -3.344 -5.895 1.00 45.10 H new ATOM 0 HG11 VAL A 82 6.021 -2.828 -3.550 1.00 24.15 H new ATOM 0 HG12 VAL A 82 5.562 -1.350 -4.428 1.00 24.15 H new ATOM 0 HG13 VAL A 82 4.461 -2.040 -3.212 1.00 24.15 H new ATOM 0 HG21 VAL A 82 4.981 -4.957 -4.009 1.00 3.13 H new ATOM 0 HG22 VAL A 82 3.377 -4.277 -3.642 1.00 3.13 H new ATOM 0 HG23 VAL A 82 3.658 -5.111 -5.189 1.00 3.13 H new ATOM 1287 N GLU A 83 3.894 -0.076 -6.400 1.00 33.53 N ATOM 1288 CA GLU A 83 4.466 0.987 -7.209 1.00 44.13 C ATOM 1289 C GLU A 83 5.388 1.808 -6.323 1.00 43.24 C ATOM 1290 O GLU A 83 5.304 1.778 -5.096 1.00 70.20 O ATOM 1291 CB GLU A 83 3.344 1.874 -7.761 1.00 3.31 C ATOM 1292 CG GLU A 83 2.872 1.515 -9.172 1.00 41.40 C ATOM 1293 CD GLU A 83 3.673 2.188 -10.289 1.00 63.11 C ATOM 1294 OE1 GLU A 83 4.367 3.198 -10.050 1.00 32.45 O ATOM 1295 OE2 GLU A 83 3.483 1.771 -11.463 1.00 70.20 O ATOM 0 H GLU A 83 3.543 0.258 -5.502 1.00 33.53 H new ATOM 0 HA GLU A 83 5.024 0.570 -8.048 1.00 44.13 H new ATOM 0 HB2 GLU A 83 2.492 1.819 -7.084 1.00 3.31 H new ATOM 0 HB3 GLU A 83 3.686 2.909 -7.761 1.00 3.31 H new ATOM 0 HG2 GLU A 83 2.930 0.434 -9.299 1.00 41.40 H new ATOM 0 HG3 GLU A 83 1.823 1.792 -9.274 1.00 41.40 H new ATOM 1302 N PHE A 84 6.223 2.605 -6.969 1.00 32.21 N ATOM 1303 CA PHE A 84 7.240 3.422 -6.323 1.00 51.31 C ATOM 1304 C PHE A 84 7.285 4.775 -7.015 1.00 10.22 C ATOM 1305 O PHE A 84 7.611 4.844 -8.205 1.00 1.21 O ATOM 1306 CB PHE A 84 8.592 2.695 -6.385 1.00 73.23 C ATOM 1307 CG PHE A 84 9.734 3.284 -5.568 1.00 30.14 C ATOM 1308 CD1 PHE A 84 9.540 3.731 -4.242 1.00 11.42 C ATOM 1309 CD2 PHE A 84 11.042 3.247 -6.093 1.00 73.51 C ATOM 1310 CE1 PHE A 84 10.636 4.155 -3.468 1.00 43.20 C ATOM 1311 CE2 PHE A 84 12.140 3.637 -5.307 1.00 51.30 C ATOM 1312 CZ PHE A 84 11.937 4.103 -3.996 1.00 54.33 C ATOM 0 H PHE A 84 6.213 2.705 -7.984 1.00 32.21 H new ATOM 0 HA PHE A 84 7.004 3.584 -5.271 1.00 51.31 H new ATOM 0 HB2 PHE A 84 8.438 1.666 -6.059 1.00 73.23 H new ATOM 0 HB3 PHE A 84 8.907 2.655 -7.428 1.00 73.23 H new ATOM 0 HD1 PHE A 84 8.546 3.747 -3.820 1.00 11.42 H new ATOM 0 HD2 PHE A 84 11.202 2.916 -7.109 1.00 73.51 H new ATOM 0 HE1 PHE A 84 10.477 4.522 -2.465 1.00 43.20 H new ATOM 0 HE2 PHE A 84 13.140 3.579 -5.710 1.00 51.30 H new ATOM 0 HZ PHE A 84 12.778 4.420 -3.397 1.00 54.33 H new ATOM 1322 N ALA A 85 6.952 5.843 -6.288 1.00 54.31 N ATOM 1323 CA ALA A 85 6.992 7.212 -6.786 1.00 50.23 C ATOM 1324 C ALA A 85 8.003 7.984 -5.953 1.00 64.43 C ATOM 1325 O ALA A 85 7.661 8.838 -5.134 1.00 5.31 O ATOM 1326 CB ALA A 85 5.598 7.841 -6.778 1.00 62.50 C ATOM 0 H ALA A 85 6.642 5.775 -5.319 1.00 54.31 H new ATOM 0 HA ALA A 85 7.311 7.236 -7.828 1.00 50.23 H new ATOM 0 HB1 ALA A 85 5.657 8.862 -7.154 1.00 62.50 H new ATOM 0 HB2 ALA A 85 4.932 7.258 -7.414 1.00 62.50 H new ATOM 0 HB3 ALA A 85 5.210 7.852 -5.760 1.00 62.50 H new ATOM 1332 N LYS A 86 9.275 7.658 -6.158 1.00 33.53 N ATOM 1333 CA LYS A 86 10.407 8.354 -5.579 1.00 70.43 C ATOM 1334 C LYS A 86 10.613 9.670 -6.341 1.00 2.14 C ATOM 1335 O LYS A 86 11.600 9.873 -7.037 1.00 30.14 O ATOM 1336 CB LYS A 86 11.611 7.394 -5.588 1.00 45.42 C ATOM 1337 CG LYS A 86 12.517 7.601 -4.372 1.00 53.14 C ATOM 1338 CD LYS A 86 13.205 8.971 -4.303 1.00 43.21 C ATOM 1339 CE LYS A 86 14.639 8.856 -3.786 1.00 10.05 C ATOM 1340 NZ LYS A 86 15.576 8.368 -4.814 1.00 45.32 N ATOM 0 H LYS A 86 9.550 6.876 -6.752 1.00 33.53 H new ATOM 0 HA LYS A 86 10.251 8.638 -4.538 1.00 70.43 H new ATOM 0 HB2 LYS A 86 11.254 6.364 -5.603 1.00 45.42 H new ATOM 0 HB3 LYS A 86 12.188 7.545 -6.500 1.00 45.42 H new ATOM 0 HG2 LYS A 86 11.924 7.463 -3.468 1.00 53.14 H new ATOM 0 HG3 LYS A 86 13.283 6.826 -4.372 1.00 53.14 H new ATOM 0 HD2 LYS A 86 13.210 9.426 -5.293 1.00 43.21 H new ATOM 0 HD3 LYS A 86 12.635 9.633 -3.651 1.00 43.21 H new ATOM 0 HE2 LYS A 86 14.972 9.831 -3.430 1.00 10.05 H new ATOM 0 HE3 LYS A 86 14.660 8.180 -2.931 1.00 10.05 H new ATOM 0 HZ1 LYS A 86 16.533 8.309 -4.411 1.00 45.32 H new ATOM 0 HZ2 LYS A 86 15.277 7.426 -5.137 1.00 45.32 H new ATOM 0 HZ3 LYS A 86 15.580 9.025 -5.620 1.00 45.32 H new ATOM 1354 N GLY A 87 9.658 10.588 -6.217 1.00 61.23 N ATOM 1355 CA GLY A 87 9.731 11.916 -6.802 1.00 21.42 C ATOM 1356 C GLY A 87 10.263 12.869 -5.748 1.00 54.32 C ATOM 1357 O GLY A 87 9.460 13.424 -4.987 1.00 71.11 O ATOM 0 H GLY A 87 8.797 10.422 -5.696 1.00 61.23 H new ATOM 0 HA2 GLY A 87 10.384 11.912 -7.675 1.00 21.42 H new ATOM 0 HA3 GLY A 87 8.746 12.236 -7.142 1.00 21.42 H new ATOM 1361 N SER A 88 11.585 13.032 -5.663 1.00 22.22 N ATOM 1362 CA SER A 88 12.241 13.848 -4.649 1.00 50.11 C ATOM 1363 C SER A 88 12.606 15.218 -5.223 1.00 53.32 C ATOM 1364 O SER A 88 11.736 16.124 -5.231 1.00 33.42 O ATOM 1365 CB SER A 88 13.449 13.072 -4.095 1.00 32.12 C ATOM 1366 OG SER A 88 14.386 12.846 -5.137 1.00 73.40 O ATOM 0 H SER A 88 12.238 12.591 -6.311 1.00 22.22 H new ATOM 0 HA SER A 88 11.568 14.046 -3.815 1.00 50.11 H new ATOM 0 HB2 SER A 88 13.917 13.635 -3.287 1.00 32.12 H new ATOM 0 HB3 SER A 88 13.122 12.122 -3.674 1.00 32.12 H new ATOM 0 HG SER A 88 15.156 12.353 -4.783 1.00 73.40 H new TER 1372 SER A 88