USER MOD reduce.3.24.130724 H: found=0, std=0, add=834, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 846 hydrogens (14 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 4 GLN : amide:sc= 0.89 K(o=3.1,f=0.079) USER MOD Set 1.2: A 19 LYS NZ :NH3+ -178:sc= 0.191 (180deg=-0.783) USER MOD Set 1.3: A 93 TYR OH : rot -105:sc= 2.01 USER MOD Single : A 1 GLY N :NH3+ 156:sc= -0.649 (180deg=-0.775) USER MOD Single : A 2 SER OG : rot 180:sc= -0.0136 USER MOD Single : A 5 ASN :FLIP amide:sc= 0.0119 F(o=-1.3!,f=0.012) USER MOD Single : A 7 THR OG1 : rot 180:sc= 0.0362 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 GLN :FLIP amide:sc= -0.034 F(o=-1.2,f=-0.034) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 ASN : amide:sc= -2.61 X(o=-2.6,f=-2.3!) USER MOD Single : A 35 THR OG1 : rot 112:sc= 0.643 USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ 177:sc= -0.306 (180deg=-0.334) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 47 GLN : amide:sc= -0.372 X(o=-0.37,f=-0.31) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 61 ASN : amide:sc= -2.27 K(o=-2.3,f=-11!) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 72 GLN : amide:sc= -0.0296 X(o=-0.03,f=0) USER MOD Single : A 80 GLN :FLIP amide:sc=-0.00676 F(o=-0.55,f=-0.0068) USER MOD Single : A 82 MET CE :methyl -154:sc= -0.184 (180deg=-0.821) USER MOD Single : A 83 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 85 ASN : amide:sc= -0.239 X(o=-0.24,f=0) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 THR OG1 : rot -102:sc= -0.0759 USER MOD Single : A 90 LYS NZ :NH3+ -114:sc= -0.0157 (180deg=-2.4!) USER MOD Single : A 91 SER OG : rot 130:sc= -0.948 USER MOD Single : A 92 ASN : amide:sc= -2.14 K(o=-2.1,f=-2.9) USER MOD Single : A 98 TYR OH : rot 180:sc= 0 USER MOD Single : A 99 GLN :FLIP amide:sc= -0.0235 F(o=-0.61,f=-0.023) USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 2.103 1.273 -0.812 1.00 0.30 N ATOM 2 CA GLY A 1 2.162 -0.059 -1.384 1.00 72.21 C ATOM 3 C GLY A 1 3.565 -0.633 -1.375 1.00 3.54 C ATOM 4 O GLY A 1 4.542 0.097 -1.543 1.00 53.45 O ATOM 0 H1 GLY A 1 1.273 1.776 -1.187 1.00 0.30 H new ATOM 0 H2 GLY A 1 2.027 1.203 0.223 1.00 0.30 H new ATOM 0 H3 GLY A 1 2.967 1.796 -1.061 1.00 0.30 H new ATOM 0 HA2 GLY A 1 1.499 -0.720 -0.826 1.00 72.21 H new ATOM 0 HA3 GLY A 1 1.792 -0.027 -2.409 1.00 72.21 H new ATOM 8 N SER A 2 3.666 -1.943 -1.176 1.00 40.41 N ATOM 9 CA SER A 2 4.961 -2.612 -1.139 1.00 33.41 C ATOM 10 C SER A 2 4.792 -4.110 -0.904 1.00 32.03 C ATOM 11 O SER A 2 4.364 -4.536 0.169 1.00 22.52 O ATOM 12 CB SER A 2 5.841 -2.008 -0.044 1.00 25.43 C ATOM 13 OG SER A 2 5.062 -1.594 1.066 1.00 31.20 O ATOM 0 H SER A 2 2.867 -2.562 -1.038 1.00 40.41 H new ATOM 0 HA SER A 2 5.445 -2.466 -2.105 1.00 33.41 H new ATOM 0 HB2 SER A 2 6.580 -2.742 0.279 1.00 25.43 H new ATOM 0 HB3 SER A 2 6.391 -1.156 -0.444 1.00 25.43 H new ATOM 0 HG SER A 2 5.648 -1.213 1.753 1.00 31.20 H new ATOM 19 N ALA A 3 5.130 -4.904 -1.914 1.00 34.12 N ATOM 20 CA ALA A 3 5.017 -6.354 -1.817 1.00 14.11 C ATOM 21 C ALA A 3 3.628 -6.766 -1.341 1.00 62.44 C ATOM 22 O ALA A 3 3.473 -7.306 -0.247 1.00 31.50 O ATOM 23 CB ALA A 3 6.083 -6.905 -0.882 1.00 15.44 C ATOM 0 H ALA A 3 5.485 -4.568 -2.809 1.00 34.12 H new ATOM 0 HA ALA A 3 5.170 -6.773 -2.812 1.00 14.11 H new ATOM 0 HB1 ALA A 3 5.987 -7.989 -0.819 1.00 15.44 H new ATOM 0 HB2 ALA A 3 7.071 -6.650 -1.266 1.00 15.44 H new ATOM 0 HB3 ALA A 3 5.956 -6.471 0.110 1.00 15.44 H new ATOM 29 N GLN A 4 2.622 -6.507 -2.170 1.00 44.13 N ATOM 30 CA GLN A 4 1.246 -6.850 -1.833 1.00 11.22 C ATOM 31 C GLN A 4 0.882 -8.231 -2.368 1.00 61.44 C ATOM 32 O GLN A 4 1.162 -8.553 -3.521 1.00 73.05 O ATOM 33 CB GLN A 4 0.284 -5.802 -2.394 1.00 21.43 C ATOM 34 CG GLN A 4 -0.629 -5.189 -1.345 1.00 21.14 C ATOM 35 CD GLN A 4 -1.604 -4.189 -1.931 1.00 51.34 C ATOM 36 OE1 GLN A 4 -1.421 -2.977 -1.805 1.00 20.13 O ATOM 37 NE2 GLN A 4 -2.649 -4.690 -2.579 1.00 33.13 N ATOM 0 H GLN A 4 2.734 -6.061 -3.080 1.00 44.13 H new ATOM 0 HA GLN A 4 1.159 -6.867 -0.747 1.00 11.22 H new ATOM 0 HB2 GLN A 4 0.861 -5.009 -2.869 1.00 21.43 H new ATOM 0 HB3 GLN A 4 -0.327 -6.261 -3.171 1.00 21.43 H new ATOM 0 HG2 GLN A 4 -1.185 -5.982 -0.845 1.00 21.14 H new ATOM 0 HG3 GLN A 4 -0.023 -4.697 -0.585 1.00 21.14 H new ATOM 0 HE21 GLN A 4 -2.762 -5.700 -2.660 1.00 33.13 H new ATOM 0 HE22 GLN A 4 -3.338 -4.064 -2.996 1.00 33.13 H new ATOM 46 N ASN A 5 0.257 -9.042 -1.522 1.00 70.31 N ATOM 47 CA ASN A 5 -0.145 -10.390 -1.910 1.00 1.41 C ATOM 48 C ASN A 5 -1.488 -10.370 -2.634 1.00 44.41 C ATOM 49 O ASN A 5 -2.494 -9.920 -2.084 1.00 44.02 O ATOM 50 CB ASN A 5 -0.230 -11.294 -0.679 1.00 22.41 C ATOM 51 CG ASN A 5 -0.999 -10.651 0.459 1.00 43.34 C ATOM 52 OD1 ASN A 5 -0.315 -9.829 1.245 1.00 31.14 O flip ATOM 53 ND2 ASN A 5 -2.194 -10.891 0.628 1.00 43.51 N flip ATOM 0 H ASN A 5 0.017 -8.790 -0.563 1.00 70.31 H new ATOM 0 HA ASN A 5 0.609 -10.785 -2.591 1.00 1.41 H new ATOM 0 HB2 ASN A 5 -0.711 -12.233 -0.954 1.00 22.41 H new ATOM 0 HB3 ASN A 5 0.777 -11.538 -0.341 1.00 22.41 H new ATOM 0 HD21 ASN A 5 -2.680 -11.530 -0.001 1.00 43.51 H new ATOM 0 HD22 ASN A 5 -2.699 -10.451 1.397 1.00 43.51 H new ATOM 60 N ILE A 6 -1.496 -10.860 -3.869 1.00 64.12 N ATOM 61 CA ILE A 6 -2.715 -10.901 -4.667 1.00 4.51 C ATOM 62 C ILE A 6 -2.996 -12.312 -5.170 1.00 43.35 C ATOM 63 O ILE A 6 -2.175 -12.910 -5.866 1.00 72.44 O ATOM 64 CB ILE A 6 -2.630 -9.944 -5.872 1.00 34.02 C ATOM 65 CG1 ILE A 6 -2.464 -8.500 -5.394 1.00 71.51 C ATOM 66 CG2 ILE A 6 -3.870 -10.081 -6.743 1.00 2.21 C ATOM 67 CD1 ILE A 6 -3.647 -7.986 -4.603 1.00 44.21 C ATOM 0 H ILE A 6 -0.672 -11.234 -4.339 1.00 64.12 H new ATOM 0 HA ILE A 6 -3.530 -10.582 -4.017 1.00 4.51 H new ATOM 0 HB ILE A 6 -1.758 -10.210 -6.469 1.00 34.02 H new ATOM 0 HG12 ILE A 6 -1.567 -8.430 -4.778 1.00 71.51 H new ATOM 0 HG13 ILE A 6 -2.307 -7.855 -6.259 1.00 71.51 H new ATOM 0 HG21 ILE A 6 -3.797 -9.399 -7.590 1.00 2.21 H new ATOM 0 HG22 ILE A 6 -3.948 -11.105 -7.107 1.00 2.21 H new ATOM 0 HG23 ILE A 6 -4.756 -9.836 -6.156 1.00 2.21 H new ATOM 0 HD11 ILE A 6 -3.460 -6.957 -4.296 1.00 44.21 H new ATOM 0 HD12 ILE A 6 -4.543 -8.023 -5.223 1.00 44.21 H new ATOM 0 HD13 ILE A 6 -3.791 -8.607 -3.719 1.00 44.21 H new ATOM 79 N THR A 7 -4.164 -12.840 -4.816 1.00 45.22 N ATOM 80 CA THR A 7 -4.554 -14.181 -5.232 1.00 52.31 C ATOM 81 C THR A 7 -5.425 -14.136 -6.483 1.00 23.23 C ATOM 82 O THR A 7 -6.302 -13.283 -6.609 1.00 54.44 O ATOM 83 CB THR A 7 -5.318 -14.915 -4.115 1.00 2.15 C ATOM 84 OG1 THR A 7 -6.054 -13.975 -3.324 1.00 21.02 O ATOM 85 CG2 THR A 7 -4.359 -15.693 -3.225 1.00 74.11 C ATOM 0 H THR A 7 -4.856 -12.359 -4.242 1.00 45.22 H new ATOM 0 HA THR A 7 -3.635 -14.725 -5.451 1.00 52.31 H new ATOM 0 HB THR A 7 -6.010 -15.618 -4.580 1.00 2.15 H new ATOM 0 HG1 THR A 7 -6.538 -14.451 -2.617 1.00 21.02 H new ATOM 0 HG21 THR A 7 -4.921 -16.203 -2.443 1.00 74.11 H new ATOM 0 HG22 THR A 7 -3.822 -16.428 -3.824 1.00 74.11 H new ATOM 0 HG23 THR A 7 -3.646 -15.005 -2.769 1.00 74.11 H new ATOM 93 N ALA A 8 -5.176 -15.061 -7.403 1.00 52.25 N ATOM 94 CA ALA A 8 -5.940 -15.129 -8.644 1.00 13.44 C ATOM 95 C ALA A 8 -6.057 -16.566 -9.139 1.00 12.44 C ATOM 96 O ALA A 8 -5.357 -17.457 -8.658 1.00 43.13 O ATOM 97 CB ALA A 8 -5.297 -14.253 -9.709 1.00 1.14 C ATOM 0 H ALA A 8 -4.452 -15.774 -7.314 1.00 52.25 H new ATOM 0 HA ALA A 8 -6.945 -14.759 -8.443 1.00 13.44 H new ATOM 0 HB1 ALA A 8 -5.878 -14.314 -10.629 1.00 1.14 H new ATOM 0 HB2 ALA A 8 -5.272 -13.220 -9.363 1.00 1.14 H new ATOM 0 HB3 ALA A 8 -4.280 -14.597 -9.898 1.00 1.14 H new ATOM 103 N ARG A 9 -6.948 -16.785 -10.101 1.00 4.23 N ATOM 104 CA ARG A 9 -7.158 -18.115 -10.658 1.00 74.22 C ATOM 105 C ARG A 9 -6.890 -18.123 -12.160 1.00 71.50 C ATOM 106 O ARG A 9 -7.112 -17.125 -12.846 1.00 33.02 O ATOM 107 CB ARG A 9 -8.587 -18.588 -10.382 1.00 13.21 C ATOM 108 CG ARG A 9 -8.688 -19.595 -9.249 1.00 25.51 C ATOM 109 CD ARG A 9 -9.308 -18.977 -8.006 1.00 11.01 C ATOM 110 NE ARG A 9 -9.784 -19.991 -7.070 1.00 4.44 N ATOM 111 CZ ARG A 9 -10.182 -19.719 -5.832 1.00 24.22 C ATOM 112 NH1 ARG A 9 -10.162 -18.471 -5.384 1.00 74.31 N ATOM 113 NH2 ARG A 9 -10.601 -20.696 -5.038 1.00 21.44 N ATOM 0 H ARG A 9 -7.535 -16.058 -10.510 1.00 4.23 H new ATOM 0 HA ARG A 9 -6.458 -18.798 -10.177 1.00 74.22 H new ATOM 0 HB2 ARG A 9 -9.207 -17.724 -10.145 1.00 13.21 H new ATOM 0 HB3 ARG A 9 -8.995 -19.033 -11.290 1.00 13.21 H new ATOM 0 HG2 ARG A 9 -9.287 -20.447 -9.571 1.00 25.51 H new ATOM 0 HG3 ARG A 9 -7.695 -19.976 -9.010 1.00 25.51 H new ATOM 0 HD2 ARG A 9 -8.572 -18.343 -7.511 1.00 11.01 H new ATOM 0 HD3 ARG A 9 -10.138 -18.334 -8.297 1.00 11.01 H new ATOM 0 HE ARG A 9 -9.813 -20.961 -7.384 1.00 4.44 H new ATOM 0 HH11 ARG A 9 -9.840 -17.717 -5.990 1.00 74.31 H new ATOM 0 HH12 ARG A 9 -10.468 -18.266 -4.433 1.00 74.31 H new ATOM 0 HH21 ARG A 9 -10.618 -21.658 -5.378 1.00 21.44 H new ATOM 0 HH22 ARG A 9 -10.906 -20.485 -4.088 1.00 21.44 H new ATOM 127 N ILE A 10 -6.411 -19.256 -12.664 1.00 23.32 N ATOM 128 CA ILE A 10 -6.112 -19.394 -14.084 1.00 15.53 C ATOM 129 C ILE A 10 -7.311 -18.994 -14.938 1.00 61.42 C ATOM 130 O ILE A 10 -8.392 -19.569 -14.818 1.00 2.44 O ATOM 131 CB ILE A 10 -5.703 -20.835 -14.437 1.00 31.44 C ATOM 132 CG1 ILE A 10 -4.434 -21.229 -13.678 1.00 44.20 C ATOM 133 CG2 ILE A 10 -5.494 -20.976 -15.937 1.00 3.23 C ATOM 134 CD1 ILE A 10 -4.293 -22.720 -13.465 1.00 14.35 C ATOM 0 H ILE A 10 -6.222 -20.091 -12.110 1.00 23.32 H new ATOM 0 HA ILE A 10 -5.277 -18.727 -14.297 1.00 15.53 H new ATOM 0 HB ILE A 10 -6.507 -21.507 -14.138 1.00 31.44 H new ATOM 0 HG12 ILE A 10 -3.565 -20.865 -14.226 1.00 44.20 H new ATOM 0 HG13 ILE A 10 -4.431 -20.730 -12.709 1.00 44.20 H new ATOM 0 HG21 ILE A 10 -5.205 -22.001 -16.169 1.00 3.23 H new ATOM 0 HG22 ILE A 10 -6.420 -20.733 -16.458 1.00 3.23 H new ATOM 0 HG23 ILE A 10 -4.707 -20.295 -16.260 1.00 3.23 H new ATOM 0 HD11 ILE A 10 -3.371 -22.924 -12.921 1.00 14.35 H new ATOM 0 HD12 ILE A 10 -5.143 -23.087 -12.890 1.00 14.35 H new ATOM 0 HD13 ILE A 10 -4.264 -23.224 -14.431 1.00 14.35 H new ATOM 146 N GLY A 11 -7.110 -18.006 -15.806 1.00 4.13 N ATOM 147 CA GLY A 11 -8.182 -17.548 -16.669 1.00 35.12 C ATOM 148 C GLY A 11 -9.016 -16.456 -16.029 1.00 12.31 C ATOM 149 O GLY A 11 -10.043 -16.052 -16.572 1.00 51.02 O ATOM 0 H GLY A 11 -6.224 -17.515 -15.926 1.00 4.13 H new ATOM 0 HA2 GLY A 11 -7.759 -17.178 -17.603 1.00 35.12 H new ATOM 0 HA3 GLY A 11 -8.825 -18.391 -16.922 1.00 35.12 H new ATOM 153 N GLU A 12 -8.574 -15.979 -14.870 1.00 42.23 N ATOM 154 CA GLU A 12 -9.288 -14.928 -14.155 1.00 32.04 C ATOM 155 C GLU A 12 -8.619 -13.574 -14.366 1.00 1.43 C ATOM 156 O GLU A 12 -7.394 -13.451 -14.366 1.00 21.21 O ATOM 157 CB GLU A 12 -9.353 -15.251 -12.660 1.00 42.31 C ATOM 158 CG GLU A 12 -10.056 -16.562 -12.351 1.00 1.21 C ATOM 159 CD GLU A 12 -11.315 -16.757 -13.172 1.00 52.13 C ATOM 160 OE1 GLU A 12 -12.173 -15.850 -13.166 1.00 41.22 O ATOM 161 OE2 GLU A 12 -11.443 -17.816 -13.821 1.00 3.13 O ATOM 0 H GLU A 12 -7.725 -16.303 -14.406 1.00 42.23 H new ATOM 0 HA GLU A 12 -10.302 -14.878 -14.553 1.00 32.04 H new ATOM 0 HB2 GLU A 12 -8.340 -15.289 -12.261 1.00 42.31 H new ATOM 0 HB3 GLU A 12 -9.869 -14.441 -12.144 1.00 42.31 H new ATOM 0 HG2 GLU A 12 -9.372 -17.390 -12.539 1.00 1.21 H new ATOM 0 HG3 GLU A 12 -10.309 -16.593 -11.291 1.00 1.21 H new ATOM 168 N PRO A 13 -9.442 -12.530 -14.549 1.00 2.33 N ATOM 169 CA PRO A 13 -8.952 -11.165 -14.764 1.00 14.22 C ATOM 170 C PRO A 13 -8.320 -10.571 -13.510 1.00 23.21 C ATOM 171 O PRO A 13 -8.783 -10.812 -12.394 1.00 55.21 O ATOM 172 CB PRO A 13 -10.217 -10.390 -15.142 1.00 62.12 C ATOM 173 CG PRO A 13 -11.332 -11.158 -14.521 1.00 75.42 C ATOM 174 CD PRO A 13 -10.912 -12.602 -14.560 1.00 54.30 C ATOM 0 HA PRO A 13 -8.169 -11.128 -15.522 1.00 14.22 H new ATOM 0 HB2 PRO A 13 -10.182 -9.368 -14.765 1.00 62.12 H new ATOM 0 HB3 PRO A 13 -10.334 -10.327 -16.224 1.00 62.12 H new ATOM 0 HG2 PRO A 13 -11.508 -10.830 -13.496 1.00 75.42 H new ATOM 0 HG3 PRO A 13 -12.262 -11.007 -15.069 1.00 75.42 H new ATOM 0 HD2 PRO A 13 -11.294 -13.155 -13.702 1.00 54.30 H new ATOM 0 HD3 PRO A 13 -11.283 -13.104 -15.453 1.00 54.30 H new ATOM 182 N LEU A 14 -7.258 -9.794 -13.699 1.00 73.41 N ATOM 183 CA LEU A 14 -6.561 -9.166 -12.582 1.00 0.15 C ATOM 184 C LEU A 14 -6.029 -7.793 -12.977 1.00 5.51 C ATOM 185 O LEU A 14 -5.564 -7.595 -14.099 1.00 44.35 O ATOM 186 CB LEU A 14 -5.410 -10.055 -12.107 1.00 15.44 C ATOM 187 CG LEU A 14 -4.761 -9.660 -10.781 1.00 35.21 C ATOM 188 CD1 LEU A 14 -5.691 -9.971 -9.618 1.00 1.55 C ATOM 189 CD2 LEU A 14 -3.429 -10.374 -10.606 1.00 22.15 C ATOM 0 H LEU A 14 -6.861 -9.584 -14.615 1.00 73.41 H new ATOM 0 HA LEU A 14 -7.273 -9.039 -11.766 1.00 0.15 H new ATOM 0 HB2 LEU A 14 -5.779 -11.077 -12.018 1.00 15.44 H new ATOM 0 HB3 LEU A 14 -4.640 -10.061 -12.878 1.00 15.44 H new ATOM 0 HG LEU A 14 -4.576 -8.586 -10.795 1.00 35.21 H new ATOM 0 HD11 LEU A 14 -5.212 -9.683 -8.682 1.00 1.55 H new ATOM 0 HD12 LEU A 14 -6.620 -9.414 -9.736 1.00 1.55 H new ATOM 0 HD13 LEU A 14 -5.908 -11.039 -9.601 1.00 1.55 H new ATOM 0 HD21 LEU A 14 -2.981 -10.081 -9.657 1.00 22.15 H new ATOM 0 HD22 LEU A 14 -3.590 -11.452 -10.614 1.00 22.15 H new ATOM 0 HD23 LEU A 14 -2.760 -10.101 -11.422 1.00 22.15 H new ATOM 201 N VAL A 15 -6.097 -6.846 -12.046 1.00 11.13 N ATOM 202 CA VAL A 15 -5.618 -5.491 -12.295 1.00 33.45 C ATOM 203 C VAL A 15 -4.562 -5.086 -11.274 1.00 22.05 C ATOM 204 O VAL A 15 -4.599 -5.517 -10.120 1.00 41.12 O ATOM 205 CB VAL A 15 -6.773 -4.473 -12.256 1.00 41.12 C ATOM 206 CG1 VAL A 15 -6.273 -3.087 -12.634 1.00 55.40 C ATOM 207 CG2 VAL A 15 -7.902 -4.911 -13.176 1.00 65.22 C ATOM 0 H VAL A 15 -6.479 -6.993 -11.112 1.00 11.13 H new ATOM 0 HA VAL A 15 -5.175 -5.488 -13.291 1.00 33.45 H new ATOM 0 HB VAL A 15 -7.162 -4.429 -11.239 1.00 41.12 H new ATOM 0 HG11 VAL A 15 -7.102 -2.380 -12.601 1.00 55.40 H new ATOM 0 HG12 VAL A 15 -5.501 -2.774 -11.931 1.00 55.40 H new ATOM 0 HG13 VAL A 15 -5.857 -3.112 -13.641 1.00 55.40 H new ATOM 0 HG21 VAL A 15 -8.709 -4.180 -13.135 1.00 65.22 H new ATOM 0 HG22 VAL A 15 -7.531 -4.985 -14.198 1.00 65.22 H new ATOM 0 HG23 VAL A 15 -8.277 -5.883 -12.855 1.00 65.22 H new ATOM 217 N LEU A 16 -3.620 -4.254 -11.703 1.00 42.21 N ATOM 218 CA LEU A 16 -2.552 -3.788 -10.826 1.00 10.42 C ATOM 219 C LEU A 16 -2.401 -2.272 -10.910 1.00 12.44 C ATOM 220 O LEU A 16 -2.623 -1.672 -11.961 1.00 44.23 O ATOM 221 CB LEU A 16 -1.231 -4.465 -11.195 1.00 41.41 C ATOM 222 CG LEU A 16 -1.139 -5.963 -10.902 1.00 44.53 C ATOM 223 CD1 LEU A 16 -0.229 -6.648 -11.909 1.00 72.21 C ATOM 224 CD2 LEU A 16 -0.641 -6.199 -9.484 1.00 12.43 C ATOM 0 H LEU A 16 -3.574 -3.888 -12.654 1.00 42.21 H new ATOM 0 HA LEU A 16 -2.815 -4.052 -9.802 1.00 10.42 H new ATOM 0 HB2 LEU A 16 -1.052 -4.312 -12.259 1.00 41.41 H new ATOM 0 HB3 LEU A 16 -0.426 -3.961 -10.661 1.00 41.41 H new ATOM 0 HG LEU A 16 -2.136 -6.394 -10.992 1.00 44.53 H new ATOM 0 HD11 LEU A 16 -0.175 -7.713 -11.685 1.00 72.21 H new ATOM 0 HD12 LEU A 16 -0.628 -6.508 -12.914 1.00 72.21 H new ATOM 0 HD13 LEU A 16 0.769 -6.214 -11.851 1.00 72.21 H new ATOM 0 HD21 LEU A 16 -0.582 -7.270 -9.293 1.00 12.43 H new ATOM 0 HD22 LEU A 16 0.347 -5.754 -9.367 1.00 12.43 H new ATOM 0 HD23 LEU A 16 -1.331 -5.742 -8.775 1.00 12.43 H new ATOM 236 N LYS A 17 -2.020 -1.658 -9.794 1.00 13.23 N ATOM 237 CA LYS A 17 -1.836 -0.213 -9.740 1.00 54.11 C ATOM 238 C LYS A 17 -0.368 0.141 -9.525 1.00 74.51 C ATOM 239 O LYS A 17 0.399 -0.653 -8.979 1.00 21.04 O ATOM 240 CB LYS A 17 -2.686 0.389 -8.619 1.00 11.34 C ATOM 241 CG LYS A 17 -3.116 1.822 -8.883 1.00 64.43 C ATOM 242 CD LYS A 17 -4.414 2.156 -8.169 1.00 24.15 C ATOM 243 CE LYS A 17 -5.625 1.755 -8.996 1.00 34.34 C ATOM 244 NZ LYS A 17 -6.789 2.649 -8.746 1.00 3.43 N ATOM 0 H LYS A 17 -1.833 -2.140 -8.915 1.00 13.23 H new ATOM 0 HA LYS A 17 -2.156 0.204 -10.695 1.00 54.11 H new ATOM 0 HB2 LYS A 17 -3.574 -0.227 -8.477 1.00 11.34 H new ATOM 0 HB3 LYS A 17 -2.121 0.354 -7.687 1.00 11.34 H new ATOM 0 HG2 LYS A 17 -2.333 2.504 -8.553 1.00 64.43 H new ATOM 0 HG3 LYS A 17 -3.240 1.974 -9.955 1.00 64.43 H new ATOM 0 HD2 LYS A 17 -4.443 1.644 -7.207 1.00 24.15 H new ATOM 0 HD3 LYS A 17 -4.452 3.225 -7.962 1.00 24.15 H new ATOM 0 HE2 LYS A 17 -5.367 1.783 -10.055 1.00 34.34 H new ATOM 0 HE3 LYS A 17 -5.900 0.727 -8.762 1.00 34.34 H new ATOM 0 HZ1 LYS A 17 -7.594 2.342 -9.329 1.00 3.43 H new ATOM 0 HZ2 LYS A 17 -7.052 2.604 -7.741 1.00 3.43 H new ATOM 0 HZ3 LYS A 17 -6.535 3.627 -8.994 1.00 3.43 H new ATOM 258 N CYS A 18 0.017 1.336 -9.958 1.00 3.04 N ATOM 259 CA CYS A 18 1.394 1.796 -9.811 1.00 74.45 C ATOM 260 C CYS A 18 1.510 2.813 -8.680 1.00 51.41 C ATOM 261 O CYS A 18 1.184 3.989 -8.851 1.00 73.23 O ATOM 262 CB CYS A 18 1.889 2.413 -11.121 1.00 23.25 C ATOM 263 SG CYS A 18 3.695 2.334 -11.344 1.00 20.15 S ATOM 0 H CYS A 18 -0.604 2.004 -10.414 1.00 3.04 H new ATOM 0 HA CYS A 18 2.015 0.935 -9.565 1.00 74.45 H new ATOM 0 HB2 CYS A 18 1.408 1.902 -11.955 1.00 23.25 H new ATOM 0 HB3 CYS A 18 1.574 3.456 -11.161 1.00 23.25 H new ATOM 268 N LYS A 19 1.978 2.354 -7.525 1.00 45.21 N ATOM 269 CA LYS A 19 2.140 3.224 -6.365 1.00 61.44 C ATOM 270 C LYS A 19 3.097 4.370 -6.674 1.00 42.11 C ATOM 271 O LYS A 19 4.277 4.152 -6.945 1.00 32.45 O ATOM 272 CB LYS A 19 2.658 2.422 -5.169 1.00 34.44 C ATOM 273 CG LYS A 19 1.587 2.102 -4.141 1.00 52.31 C ATOM 274 CD LYS A 19 0.665 0.994 -4.621 1.00 21.34 C ATOM 275 CE LYS A 19 -0.763 1.211 -4.146 1.00 14.41 C ATOM 276 NZ LYS A 19 -1.754 0.565 -5.052 1.00 5.44 N ATOM 0 H LYS A 19 2.252 1.384 -7.366 1.00 45.21 H new ATOM 0 HA LYS A 19 1.165 3.644 -6.119 1.00 61.44 H new ATOM 0 HB2 LYS A 19 3.094 1.490 -5.529 1.00 34.44 H new ATOM 0 HB3 LYS A 19 3.458 2.983 -4.685 1.00 34.44 H new ATOM 0 HG2 LYS A 19 2.058 1.804 -3.204 1.00 52.31 H new ATOM 0 HG3 LYS A 19 1.002 2.998 -3.933 1.00 52.31 H new ATOM 0 HD2 LYS A 19 0.684 0.950 -5.710 1.00 21.34 H new ATOM 0 HD3 LYS A 19 1.029 0.033 -4.256 1.00 21.34 H new ATOM 0 HE2 LYS A 19 -0.876 0.809 -3.139 1.00 14.41 H new ATOM 0 HE3 LYS A 19 -0.968 2.280 -4.087 1.00 14.41 H new ATOM 0 HZ1 LYS A 19 -2.717 0.765 -4.712 1.00 5.44 H new ATOM 0 HZ2 LYS A 19 -1.641 0.942 -6.015 1.00 5.44 H new ATOM 0 HZ3 LYS A 19 -1.597 -0.463 -5.062 1.00 5.44 H new ATOM 290 N GLY A 20 2.581 5.594 -6.630 1.00 12.31 N ATOM 291 CA GLY A 20 3.404 6.758 -6.907 1.00 31.35 C ATOM 292 C GLY A 20 2.832 7.623 -8.011 1.00 73.25 C ATOM 293 O GLY A 20 2.825 8.850 -7.907 1.00 62.15 O ATOM 0 H GLY A 20 1.607 5.801 -6.407 1.00 12.31 H new ATOM 0 HA2 GLY A 20 3.504 7.353 -5.999 1.00 31.35 H new ATOM 0 HA3 GLY A 20 4.406 6.432 -7.187 1.00 31.35 H new ATOM 297 N ALA A 21 2.353 6.984 -9.073 1.00 74.02 N ATOM 298 CA ALA A 21 1.776 7.704 -10.202 1.00 52.44 C ATOM 299 C ALA A 21 0.270 7.876 -10.033 1.00 62.34 C ATOM 300 O ALA A 21 -0.460 6.924 -9.754 1.00 60.23 O ATOM 301 CB ALA A 21 2.084 6.979 -11.503 1.00 70.51 C ATOM 0 H ALA A 21 2.353 5.969 -9.175 1.00 74.02 H new ATOM 0 HA ALA A 21 2.226 8.696 -10.236 1.00 52.44 H new ATOM 0 HB1 ALA A 21 1.647 7.528 -12.337 1.00 70.51 H new ATOM 0 HB2 ALA A 21 3.164 6.914 -11.637 1.00 70.51 H new ATOM 0 HB3 ALA A 21 1.662 5.975 -11.469 1.00 70.51 H new ATOM 307 N PRO A 22 -0.208 9.117 -10.205 1.00 1.25 N ATOM 308 CA PRO A 22 -1.631 9.442 -10.074 1.00 72.12 C ATOM 309 C PRO A 22 -2.464 8.859 -11.212 1.00 0.24 C ATOM 310 O PRO A 22 -2.003 7.989 -11.950 1.00 35.51 O ATOM 311 CB PRO A 22 -1.652 10.972 -10.127 1.00 13.15 C ATOM 312 CG PRO A 22 -0.422 11.342 -10.881 1.00 52.13 C ATOM 313 CD PRO A 22 0.605 10.299 -10.538 1.00 2.45 C ATOM 0 HA PRO A 22 -2.062 9.028 -9.163 1.00 72.12 H new ATOM 0 HB2 PRO A 22 -2.548 11.338 -10.627 1.00 13.15 H new ATOM 0 HB3 PRO A 22 -1.647 11.403 -9.126 1.00 13.15 H new ATOM 0 HG2 PRO A 22 -0.614 11.363 -11.954 1.00 52.13 H new ATOM 0 HG3 PRO A 22 -0.077 12.337 -10.600 1.00 52.13 H new ATOM 0 HD2 PRO A 22 1.274 10.103 -11.376 1.00 2.45 H new ATOM 0 HD3 PRO A 22 1.227 10.608 -9.698 1.00 2.45 H new ATOM 321 N LYS A 23 -3.694 9.345 -11.347 1.00 50.42 N ATOM 322 CA LYS A 23 -4.592 8.875 -12.395 1.00 31.33 C ATOM 323 C LYS A 23 -3.893 8.873 -13.750 1.00 53.34 C ATOM 324 O LYS A 23 -3.882 7.863 -14.455 1.00 31.15 O ATOM 325 CB LYS A 23 -5.844 9.753 -12.455 1.00 42.21 C ATOM 326 CG LYS A 23 -6.648 9.754 -11.167 1.00 35.34 C ATOM 327 CD LYS A 23 -7.100 8.352 -10.791 1.00 1.44 C ATOM 328 CE LYS A 23 -8.406 8.378 -10.011 1.00 64.00 C ATOM 329 NZ LYS A 23 -8.174 8.509 -8.546 1.00 20.44 N ATOM 0 H LYS A 23 -4.091 10.065 -10.743 1.00 50.42 H new ATOM 0 HA LYS A 23 -4.885 7.853 -12.156 1.00 31.33 H new ATOM 0 HB2 LYS A 23 -5.549 10.776 -12.690 1.00 42.21 H new ATOM 0 HB3 LYS A 23 -6.480 9.409 -13.270 1.00 42.21 H new ATOM 0 HG2 LYS A 23 -6.045 10.171 -10.361 1.00 35.34 H new ATOM 0 HG3 LYS A 23 -7.519 10.400 -11.281 1.00 35.34 H new ATOM 0 HD2 LYS A 23 -7.226 7.755 -11.694 1.00 1.44 H new ATOM 0 HD3 LYS A 23 -6.328 7.867 -10.194 1.00 1.44 H new ATOM 0 HE2 LYS A 23 -9.019 9.210 -10.357 1.00 64.00 H new ATOM 0 HE3 LYS A 23 -8.966 7.464 -10.210 1.00 64.00 H new ATOM 0 HZ1 LYS A 23 -9.088 8.523 -8.050 1.00 20.44 H new ATOM 0 HZ2 LYS A 23 -7.610 7.702 -8.210 1.00 20.44 H new ATOM 0 HZ3 LYS A 23 -7.662 9.393 -8.353 1.00 20.44 H new ATOM 343 N LYS A 24 -3.309 10.011 -14.110 1.00 70.42 N ATOM 344 CA LYS A 24 -2.604 10.141 -15.381 1.00 13.45 C ATOM 345 C LYS A 24 -1.104 10.305 -15.156 1.00 74.44 C ATOM 346 O LYS A 24 -0.658 11.139 -14.370 1.00 45.45 O ATOM 347 CB LYS A 24 -3.147 11.337 -16.168 1.00 23.23 C ATOM 348 CG LYS A 24 -2.806 11.296 -17.647 1.00 1.41 C ATOM 349 CD LYS A 24 -3.580 10.207 -18.368 1.00 33.41 C ATOM 350 CE LYS A 24 -2.826 9.702 -19.589 1.00 73.22 C ATOM 351 NZ LYS A 24 -3.080 10.548 -20.787 1.00 62.11 N ATOM 0 H LYS A 24 -3.310 10.857 -13.540 1.00 70.42 H new ATOM 0 HA LYS A 24 -2.770 9.230 -15.956 1.00 13.45 H new ATOM 0 HB2 LYS A 24 -4.230 11.375 -16.054 1.00 23.23 H new ATOM 0 HB3 LYS A 24 -2.749 12.256 -15.737 1.00 23.23 H new ATOM 0 HG2 LYS A 24 -3.029 12.262 -18.099 1.00 1.41 H new ATOM 0 HG3 LYS A 24 -1.736 11.126 -17.770 1.00 1.41 H new ATOM 0 HD2 LYS A 24 -3.765 9.378 -17.685 1.00 33.41 H new ATOM 0 HD3 LYS A 24 -4.553 10.592 -18.673 1.00 33.41 H new ATOM 0 HE2 LYS A 24 -1.757 9.687 -19.375 1.00 73.22 H new ATOM 0 HE3 LYS A 24 -3.123 8.675 -19.800 1.00 73.22 H new ATOM 0 HZ1 LYS A 24 -2.548 10.171 -21.597 1.00 62.11 H new ATOM 0 HZ2 LYS A 24 -4.096 10.542 -21.007 1.00 62.11 H new ATOM 0 HZ3 LYS A 24 -2.773 11.523 -20.595 1.00 62.11 H new ATOM 365 N PRO A 25 -0.308 9.490 -15.865 1.00 11.31 N ATOM 366 CA PRO A 25 1.154 9.528 -15.762 1.00 71.03 C ATOM 367 C PRO A 25 1.745 10.796 -16.368 1.00 65.44 C ATOM 368 O PRO A 25 1.738 10.993 -17.583 1.00 63.25 O ATOM 369 CB PRO A 25 1.597 8.297 -16.558 1.00 5.54 C ATOM 370 CG PRO A 25 0.489 8.051 -17.523 1.00 3.24 C ATOM 371 CD PRO A 25 -0.772 8.472 -16.821 1.00 31.32 C ATOM 0 HA PRO A 25 1.490 9.526 -14.725 1.00 71.03 H new ATOM 0 HB2 PRO A 25 2.539 8.478 -17.075 1.00 5.54 H new ATOM 0 HB3 PRO A 25 1.751 7.438 -15.905 1.00 5.54 H new ATOM 0 HG2 PRO A 25 0.635 8.623 -18.439 1.00 3.24 H new ATOM 0 HG3 PRO A 25 0.445 7.000 -17.807 1.00 3.24 H new ATOM 0 HD2 PRO A 25 -1.503 8.880 -17.519 1.00 31.32 H new ATOM 0 HD3 PRO A 25 -1.249 7.633 -16.314 1.00 31.32 H new ATOM 379 N PRO A 26 2.271 11.676 -15.504 1.00 3.42 N ATOM 380 CA PRO A 26 2.879 12.939 -15.932 1.00 53.51 C ATOM 381 C PRO A 26 4.197 12.729 -16.670 1.00 54.11 C ATOM 382 O PRO A 26 4.393 13.252 -17.767 1.00 24.43 O ATOM 383 CB PRO A 26 3.116 13.684 -14.615 1.00 73.43 C ATOM 384 CG PRO A 26 3.230 12.609 -13.589 1.00 53.32 C ATOM 385 CD PRO A 26 2.315 11.505 -14.042 1.00 13.50 C ATOM 0 HA PRO A 26 2.244 13.478 -16.634 1.00 53.51 H new ATOM 0 HB2 PRO A 26 4.023 14.288 -14.659 1.00 73.43 H new ATOM 0 HB3 PRO A 26 2.293 14.361 -14.389 1.00 73.43 H new ATOM 0 HG2 PRO A 26 4.258 12.255 -13.507 1.00 53.32 H new ATOM 0 HG3 PRO A 26 2.940 12.977 -12.605 1.00 53.32 H new ATOM 0 HD2 PRO A 26 2.700 10.524 -13.764 1.00 13.50 H new ATOM 0 HD3 PRO A 26 1.324 11.596 -13.597 1.00 13.50 H new ATOM 393 N GLN A 27 5.094 11.961 -16.062 1.00 71.32 N ATOM 394 CA GLN A 27 6.393 11.683 -16.663 1.00 22.24 C ATOM 395 C GLN A 27 6.437 10.269 -17.234 1.00 20.32 C ATOM 396 O GLN A 27 5.450 9.534 -17.175 1.00 53.52 O ATOM 397 CB GLN A 27 7.506 11.862 -15.629 1.00 50.20 C ATOM 398 CG GLN A 27 8.080 13.268 -15.591 1.00 45.51 C ATOM 399 CD GLN A 27 7.075 14.298 -15.112 1.00 22.32 C ATOM 400 OE1 GLN A 27 6.436 14.020 -13.982 1.00 35.33 O flip ATOM 401 NE2 GLN A 27 6.874 15.331 -15.752 1.00 24.20 N flip ATOM 0 H GLN A 27 4.946 11.520 -15.154 1.00 71.32 H new ATOM 0 HA GLN A 27 6.547 12.390 -17.478 1.00 22.24 H new ATOM 0 HB2 GLN A 27 7.118 11.610 -14.642 1.00 50.20 H new ATOM 0 HB3 GLN A 27 8.308 11.157 -15.845 1.00 50.20 H new ATOM 0 HG2 GLN A 27 8.950 13.283 -14.935 1.00 45.51 H new ATOM 0 HG3 GLN A 27 8.427 13.541 -16.587 1.00 45.51 H new ATOM 0 HE21 GLN A 27 7.388 15.504 -16.616 1.00 24.20 H new ATOM 0 HE22 GLN A 27 6.194 16.014 -15.418 1.00 24.20 H new ATOM 410 N ARG A 28 7.585 9.894 -17.786 1.00 44.54 N ATOM 411 CA ARG A 28 7.757 8.569 -18.370 1.00 32.13 C ATOM 412 C ARG A 28 7.668 7.488 -17.297 1.00 25.14 C ATOM 413 O ARG A 28 7.861 7.757 -16.110 1.00 71.04 O ATOM 414 CB ARG A 28 9.103 8.477 -19.092 1.00 32.53 C ATOM 415 CG ARG A 28 9.141 9.238 -20.407 1.00 21.13 C ATOM 416 CD ARG A 28 8.588 8.404 -21.551 1.00 35.41 C ATOM 417 NE ARG A 28 9.483 7.307 -21.912 1.00 14.40 N ATOM 418 CZ ARG A 28 10.595 7.470 -22.619 1.00 62.21 C ATOM 419 NH1 ARG A 28 10.947 8.677 -23.039 1.00 72.30 N ATOM 420 NH2 ARG A 28 11.358 6.423 -22.908 1.00 45.11 N ATOM 0 H ARG A 28 8.411 10.489 -17.841 1.00 44.54 H new ATOM 0 HA ARG A 28 6.955 8.409 -19.091 1.00 32.13 H new ATOM 0 HB2 ARG A 28 9.884 8.861 -18.437 1.00 32.53 H new ATOM 0 HB3 ARG A 28 9.333 7.429 -19.282 1.00 32.53 H new ATOM 0 HG2 ARG A 28 8.563 10.157 -20.313 1.00 21.13 H new ATOM 0 HG3 ARG A 28 10.167 9.529 -20.631 1.00 21.13 H new ATOM 0 HD2 ARG A 28 7.616 8.000 -21.268 1.00 35.41 H new ATOM 0 HD3 ARG A 28 8.428 9.042 -22.420 1.00 35.41 H new ATOM 0 HE ARG A 28 9.241 6.365 -21.604 1.00 14.40 H new ATOM 0 HH11 ARG A 28 10.363 9.484 -22.819 1.00 72.30 H new ATOM 0 HH12 ARG A 28 11.802 8.799 -23.582 1.00 72.30 H new ATOM 0 HH21 ARG A 28 11.090 5.493 -22.587 1.00 45.11 H new ATOM 0 HH22 ARG A 28 12.212 6.549 -23.451 1.00 45.11 H new ATOM 434 N LEU A 29 7.375 6.264 -17.722 1.00 32.15 N ATOM 435 CA LEU A 29 7.260 5.140 -16.798 1.00 53.00 C ATOM 436 C LEU A 29 7.544 3.821 -17.507 1.00 60.23 C ATOM 437 O LEU A 29 7.586 3.763 -18.735 1.00 63.34 O ATOM 438 CB LEU A 29 5.862 5.107 -16.176 1.00 64.14 C ATOM 439 CG LEU A 29 4.740 5.722 -17.013 1.00 31.41 C ATOM 440 CD1 LEU A 29 4.710 5.102 -18.402 1.00 2.54 C ATOM 441 CD2 LEU A 29 3.397 5.544 -16.318 1.00 64.04 C ATOM 0 H LEU A 29 7.213 6.024 -18.700 1.00 32.15 H new ATOM 0 HA LEU A 29 8.000 5.273 -16.009 1.00 53.00 H new ATOM 0 HB2 LEU A 29 5.604 4.069 -15.966 1.00 64.14 H new ATOM 0 HB3 LEU A 29 5.900 5.626 -15.218 1.00 64.14 H new ATOM 0 HG LEU A 29 4.933 6.790 -17.118 1.00 31.41 H new ATOM 0 HD11 LEU A 29 3.905 5.552 -18.984 1.00 2.54 H new ATOM 0 HD12 LEU A 29 5.662 5.281 -18.901 1.00 2.54 H new ATOM 0 HD13 LEU A 29 4.541 4.029 -18.318 1.00 2.54 H new ATOM 0 HD21 LEU A 29 2.610 5.988 -16.928 1.00 64.04 H new ATOM 0 HD22 LEU A 29 3.195 4.481 -16.182 1.00 64.04 H new ATOM 0 HD23 LEU A 29 3.423 6.035 -15.345 1.00 64.04 H new ATOM 453 N GLU A 30 7.736 2.763 -16.725 1.00 3.53 N ATOM 454 CA GLU A 30 8.015 1.444 -17.280 1.00 1.14 C ATOM 455 C GLU A 30 7.389 0.349 -16.420 1.00 25.15 C ATOM 456 O GLU A 30 7.267 0.494 -15.204 1.00 3.34 O ATOM 457 CB GLU A 30 9.525 1.221 -17.389 1.00 34.51 C ATOM 458 CG GLU A 30 9.923 0.302 -18.532 1.00 3.02 C ATOM 459 CD GLU A 30 11.383 -0.102 -18.474 1.00 61.12 C ATOM 460 OE1 GLU A 30 11.764 -0.814 -17.521 1.00 45.21 O ATOM 461 OE2 GLU A 30 12.145 0.294 -19.381 1.00 62.11 O ATOM 0 H GLU A 30 7.703 2.794 -15.706 1.00 3.53 H new ATOM 0 HA GLU A 30 7.575 1.396 -18.276 1.00 1.14 H new ATOM 0 HB2 GLU A 30 10.018 2.184 -17.520 1.00 34.51 H new ATOM 0 HB3 GLU A 30 9.890 0.801 -16.452 1.00 34.51 H new ATOM 0 HG2 GLU A 30 9.301 -0.593 -18.507 1.00 3.02 H new ATOM 0 HG3 GLU A 30 9.725 0.801 -19.480 1.00 3.02 H new ATOM 468 N TRP A 31 6.995 -0.745 -17.061 1.00 21.22 N ATOM 469 CA TRP A 31 6.381 -1.864 -16.356 1.00 21.34 C ATOM 470 C TRP A 31 7.194 -3.141 -16.549 1.00 2.21 C ATOM 471 O TRP A 31 7.573 -3.484 -17.669 1.00 30.33 O ATOM 472 CB TRP A 31 4.948 -2.079 -16.846 1.00 45.22 C ATOM 473 CG TRP A 31 3.992 -1.033 -16.360 1.00 12.02 C ATOM 474 CD1 TRP A 31 3.222 -1.086 -15.232 1.00 72.53 C ATOM 475 CD2 TRP A 31 3.702 0.222 -16.986 1.00 64.45 C ATOM 476 NE1 TRP A 31 2.471 0.059 -15.121 1.00 52.13 N ATOM 477 CE2 TRP A 31 2.748 0.878 -16.184 1.00 43.15 C ATOM 478 CE3 TRP A 31 4.158 0.855 -18.146 1.00 35.12 C ATOM 479 CZ2 TRP A 31 2.243 2.134 -16.507 1.00 54.22 C ATOM 480 CZ3 TRP A 31 3.654 2.101 -18.465 1.00 52.15 C ATOM 481 CH2 TRP A 31 2.705 2.731 -17.649 1.00 25.03 C ATOM 0 H TRP A 31 7.090 -0.881 -18.067 1.00 21.22 H new ATOM 0 HA TRP A 31 6.362 -1.624 -15.293 1.00 21.34 H new ATOM 0 HB2 TRP A 31 4.942 -2.089 -17.936 1.00 45.22 H new ATOM 0 HB3 TRP A 31 4.602 -3.059 -16.517 1.00 45.22 H new ATOM 0 HD1 TRP A 31 3.206 -1.907 -14.531 1.00 72.53 H new ATOM 0 HE1 TRP A 31 1.814 0.266 -14.369 1.00 52.13 H new ATOM 0 HE3 TRP A 31 4.891 0.379 -18.781 1.00 35.12 H new ATOM 0 HZ2 TRP A 31 1.512 2.621 -15.878 1.00 54.22 H new ATOM 0 HZ3 TRP A 31 3.998 2.599 -19.360 1.00 52.15 H new ATOM 0 HH2 TRP A 31 2.331 3.706 -17.926 1.00 25.03 H new ATOM 492 N LYS A 32 7.459 -3.839 -15.450 1.00 21.40 N ATOM 493 CA LYS A 32 8.225 -5.079 -15.497 1.00 53.34 C ATOM 494 C LYS A 32 7.639 -6.118 -14.548 1.00 62.40 C ATOM 495 O LYS A 32 7.293 -5.807 -13.407 1.00 22.12 O ATOM 496 CB LYS A 32 9.688 -4.812 -15.138 1.00 65.22 C ATOM 497 CG LYS A 32 10.676 -5.396 -16.134 1.00 34.41 C ATOM 498 CD LYS A 32 11.913 -4.525 -16.269 1.00 63.24 C ATOM 499 CE LYS A 32 12.782 -4.593 -15.022 1.00 53.33 C ATOM 500 NZ LYS A 32 14.134 -4.012 -15.255 1.00 35.13 N ATOM 0 H LYS A 32 7.154 -3.567 -14.515 1.00 21.40 H new ATOM 0 HA LYS A 32 8.172 -5.471 -16.513 1.00 53.34 H new ATOM 0 HB2 LYS A 32 9.846 -3.736 -15.071 1.00 65.22 H new ATOM 0 HB3 LYS A 32 9.892 -5.226 -14.151 1.00 65.22 H new ATOM 0 HG2 LYS A 32 10.968 -6.396 -15.814 1.00 34.41 H new ATOM 0 HG3 LYS A 32 10.195 -5.500 -17.107 1.00 34.41 H new ATOM 0 HD2 LYS A 32 12.492 -4.845 -17.135 1.00 63.24 H new ATOM 0 HD3 LYS A 32 11.614 -3.492 -16.450 1.00 63.24 H new ATOM 0 HE2 LYS A 32 12.292 -4.058 -14.208 1.00 53.33 H new ATOM 0 HE3 LYS A 32 12.883 -5.631 -14.706 1.00 53.33 H new ATOM 0 HZ1 LYS A 32 14.695 -4.077 -14.382 1.00 35.13 H new ATOM 0 HZ2 LYS A 32 14.612 -4.538 -16.014 1.00 35.13 H new ATOM 0 HZ3 LYS A 32 14.040 -3.014 -15.532 1.00 35.13 H new ATOM 514 N LEU A 33 7.531 -7.353 -15.024 1.00 24.34 N ATOM 515 CA LEU A 33 6.988 -8.440 -14.215 1.00 40.23 C ATOM 516 C LEU A 33 7.638 -9.770 -14.582 1.00 62.13 C ATOM 517 O LEU A 33 7.879 -10.051 -15.755 1.00 74.52 O ATOM 518 CB LEU A 33 5.472 -8.532 -14.401 1.00 64.50 C ATOM 519 CG LEU A 33 4.947 -8.208 -15.800 1.00 74.11 C ATOM 520 CD1 LEU A 33 3.656 -8.964 -16.074 1.00 13.53 C ATOM 521 CD2 LEU A 33 4.734 -6.710 -15.957 1.00 1.14 C ATOM 0 H LEU A 33 7.812 -7.627 -15.965 1.00 24.34 H new ATOM 0 HA LEU A 33 7.208 -8.226 -13.169 1.00 40.23 H new ATOM 0 HB2 LEU A 33 5.155 -9.542 -14.140 1.00 64.50 H new ATOM 0 HB3 LEU A 33 4.997 -7.855 -13.691 1.00 64.50 H new ATOM 0 HG LEU A 33 5.692 -8.526 -16.529 1.00 74.11 H new ATOM 0 HD11 LEU A 33 3.297 -8.721 -17.074 1.00 13.53 H new ATOM 0 HD12 LEU A 33 3.841 -10.036 -16.005 1.00 13.53 H new ATOM 0 HD13 LEU A 33 2.904 -8.678 -15.339 1.00 13.53 H new ATOM 0 HD21 LEU A 33 4.360 -6.499 -16.959 1.00 1.14 H new ATOM 0 HD22 LEU A 33 4.009 -6.366 -15.219 1.00 1.14 H new ATOM 0 HD23 LEU A 33 5.680 -6.190 -15.806 1.00 1.14 H new ATOM 533 N ASN A 34 7.918 -10.585 -13.571 1.00 5.24 N ATOM 534 CA ASN A 34 8.539 -11.887 -13.787 1.00 42.02 C ATOM 535 C ASN A 34 7.560 -13.015 -13.480 1.00 44.31 C ATOM 536 O ASN A 34 6.945 -13.046 -12.414 1.00 31.13 O ATOM 537 CB ASN A 34 9.789 -12.030 -12.916 1.00 40.25 C ATOM 538 CG ASN A 34 10.801 -12.992 -13.510 1.00 11.15 C ATOM 539 OD1 ASN A 34 11.921 -12.604 -13.844 1.00 31.14 O ATOM 540 ND2 ASN A 34 10.409 -14.253 -13.645 1.00 30.54 N ATOM 0 H ASN A 34 7.725 -10.367 -12.593 1.00 5.24 H new ATOM 0 HA ASN A 34 8.826 -11.955 -14.836 1.00 42.02 H new ATOM 0 HB2 ASN A 34 10.253 -11.052 -12.788 1.00 40.25 H new ATOM 0 HB3 ASN A 34 9.500 -12.378 -11.924 1.00 40.25 H new ATOM 0 HD21 ASN A 34 11.046 -14.946 -14.039 1.00 30.54 H new ATOM 0 HD22 ASN A 34 9.471 -14.529 -13.354 1.00 30.54 H new ATOM 547 N THR A 35 7.419 -13.942 -14.423 1.00 32.32 N ATOM 548 CA THR A 35 6.515 -15.073 -14.253 1.00 54.43 C ATOM 549 C THR A 35 7.165 -16.371 -14.715 1.00 64.22 C ATOM 550 O THR A 35 8.313 -16.379 -15.157 1.00 72.25 O ATOM 551 CB THR A 35 5.203 -14.864 -15.034 1.00 3.24 C ATOM 552 OG1 THR A 35 5.415 -15.118 -16.427 1.00 45.14 O ATOM 553 CG2 THR A 35 4.681 -13.447 -14.845 1.00 71.15 C ATOM 0 H THR A 35 7.919 -13.932 -15.312 1.00 32.32 H new ATOM 0 HA THR A 35 6.291 -15.141 -13.189 1.00 54.43 H new ATOM 0 HB THR A 35 4.461 -15.563 -14.647 1.00 3.24 H new ATOM 0 HG1 THR A 35 4.930 -15.928 -16.689 1.00 45.14 H new ATOM 0 HG21 THR A 35 3.754 -13.323 -15.405 1.00 71.15 H new ATOM 0 HG22 THR A 35 4.492 -13.267 -13.787 1.00 71.15 H new ATOM 0 HG23 THR A 35 5.422 -12.735 -15.207 1.00 71.15 H new ATOM 561 N GLY A 36 6.423 -17.470 -14.609 1.00 41.13 N ATOM 562 CA GLY A 36 6.946 -18.760 -15.019 1.00 72.33 C ATOM 563 C GLY A 36 8.022 -19.274 -14.085 1.00 64.43 C ATOM 564 O GLY A 36 7.830 -19.317 -12.870 1.00 11.52 O ATOM 0 H GLY A 36 5.470 -17.489 -14.247 1.00 41.13 H new ATOM 0 HA2 GLY A 36 6.131 -19.482 -15.061 1.00 72.33 H new ATOM 0 HA3 GLY A 36 7.353 -18.680 -16.027 1.00 72.33 H new ATOM 568 N ARG A 37 9.157 -19.669 -14.653 1.00 2.54 N ATOM 569 CA ARG A 37 10.268 -20.185 -13.861 1.00 51.11 C ATOM 570 C ARG A 37 11.457 -19.230 -13.904 1.00 65.44 C ATOM 571 O ARG A 37 12.159 -19.049 -12.909 1.00 14.24 O ATOM 572 CB ARG A 37 10.688 -21.564 -14.373 1.00 13.10 C ATOM 573 CG ARG A 37 9.902 -22.709 -13.754 1.00 21.12 C ATOM 574 CD ARG A 37 8.441 -22.673 -14.175 1.00 32.23 C ATOM 575 NE ARG A 37 8.288 -22.730 -15.626 1.00 64.02 N ATOM 576 CZ ARG A 37 7.175 -22.382 -16.263 1.00 12.45 C ATOM 577 NH1 ARG A 37 6.124 -21.953 -15.578 1.00 51.22 N ATOM 578 NH2 ARG A 37 7.113 -22.461 -17.585 1.00 54.21 N ATOM 0 H ARG A 37 9.332 -19.642 -15.658 1.00 2.54 H new ATOM 0 HA ARG A 37 9.934 -20.274 -12.827 1.00 51.11 H new ATOM 0 HB2 ARG A 37 10.565 -21.593 -15.456 1.00 13.10 H new ATOM 0 HB3 ARG A 37 11.749 -21.710 -14.169 1.00 13.10 H new ATOM 0 HG2 ARG A 37 10.345 -23.659 -14.053 1.00 21.12 H new ATOM 0 HG3 ARG A 37 9.970 -22.653 -12.668 1.00 21.12 H new ATOM 0 HD2 ARG A 37 7.912 -23.511 -13.722 1.00 32.23 H new ATOM 0 HD3 ARG A 37 7.977 -21.762 -13.797 1.00 32.23 H new ATOM 0 HE ARG A 37 9.079 -23.055 -16.181 1.00 64.02 H new ATOM 0 HH11 ARG A 37 6.169 -21.890 -14.561 1.00 51.22 H new ATOM 0 HH12 ARG A 37 5.270 -21.686 -16.068 1.00 51.22 H new ATOM 0 HH21 ARG A 37 7.920 -22.789 -18.115 1.00 54.21 H new ATOM 0 HH22 ARG A 37 6.258 -22.193 -18.072 1.00 54.21 H new ATOM 592 N THR A 38 11.680 -18.623 -15.066 1.00 21.51 N ATOM 593 CA THR A 38 12.785 -17.689 -15.241 1.00 2.44 C ATOM 594 C THR A 38 12.808 -17.123 -16.656 1.00 33.45 C ATOM 595 O THR A 38 13.246 -15.994 -16.875 1.00 62.14 O ATOM 596 CB THR A 38 14.139 -18.360 -14.946 1.00 64.34 C ATOM 597 OG1 THR A 38 15.145 -17.362 -14.736 1.00 54.24 O ATOM 598 CG2 THR A 38 14.553 -19.271 -16.092 1.00 34.25 C ATOM 0 H THR A 38 11.109 -18.762 -15.900 1.00 21.51 H new ATOM 0 HA THR A 38 12.628 -16.877 -14.531 1.00 2.44 H new ATOM 0 HB THR A 38 14.032 -18.963 -14.044 1.00 64.34 H new ATOM 0 HG1 THR A 38 16.003 -17.797 -14.547 1.00 54.24 H new ATOM 0 HG21 THR A 38 15.512 -19.734 -15.861 1.00 34.25 H new ATOM 0 HG22 THR A 38 13.800 -20.047 -16.230 1.00 34.25 H new ATOM 0 HG23 THR A 38 14.644 -18.686 -17.007 1.00 34.25 H new ATOM 606 N GLU A 39 12.333 -17.915 -17.613 1.00 3.33 N ATOM 607 CA GLU A 39 12.301 -17.491 -19.008 1.00 12.23 C ATOM 608 C GLU A 39 10.893 -17.066 -19.414 1.00 53.12 C ATOM 609 O GLU A 39 10.478 -17.264 -20.556 1.00 30.21 O ATOM 610 CB GLU A 39 12.787 -18.620 -19.918 1.00 74.15 C ATOM 611 CG GLU A 39 14.263 -18.942 -19.754 1.00 1.34 C ATOM 612 CD GLU A 39 14.599 -20.363 -20.163 1.00 21.02 C ATOM 613 OE1 GLU A 39 13.982 -20.865 -21.125 1.00 43.32 O ATOM 614 OE2 GLU A 39 15.479 -20.973 -19.519 1.00 53.25 O ATOM 0 H GLU A 39 11.966 -18.852 -17.448 1.00 3.33 H new ATOM 0 HA GLU A 39 12.966 -16.635 -19.117 1.00 12.23 H new ATOM 0 HB2 GLU A 39 12.203 -19.517 -19.713 1.00 74.15 H new ATOM 0 HB3 GLU A 39 12.597 -18.346 -20.956 1.00 74.15 H new ATOM 0 HG2 GLU A 39 14.851 -18.247 -20.353 1.00 1.34 H new ATOM 0 HG3 GLU A 39 14.551 -18.790 -18.714 1.00 1.34 H new ATOM 621 N ALA A 40 10.162 -16.481 -18.471 1.00 41.13 N ATOM 622 CA ALA A 40 8.802 -16.026 -18.730 1.00 33.22 C ATOM 623 C ALA A 40 8.656 -14.536 -18.441 1.00 43.54 C ATOM 624 O ALA A 40 7.613 -13.940 -18.710 1.00 33.51 O ATOM 625 CB ALA A 40 7.811 -16.826 -17.899 1.00 11.24 C ATOM 0 H ALA A 40 10.489 -16.311 -17.520 1.00 41.13 H new ATOM 0 HA ALA A 40 8.587 -16.187 -19.786 1.00 33.22 H new ATOM 0 HB1 ALA A 40 6.799 -16.476 -18.102 1.00 11.24 H new ATOM 0 HB2 ALA A 40 7.888 -17.882 -18.158 1.00 11.24 H new ATOM 0 HB3 ALA A 40 8.034 -16.695 -16.840 1.00 11.24 H new ATOM 631 N TRP A 41 9.709 -13.939 -17.893 1.00 34.43 N ATOM 632 CA TRP A 41 9.697 -12.518 -17.567 1.00 44.43 C ATOM 633 C TRP A 41 9.432 -11.676 -18.810 1.00 70.25 C ATOM 634 O TRP A 41 10.077 -11.856 -19.843 1.00 71.31 O ATOM 635 CB TRP A 41 11.027 -12.108 -16.932 1.00 70.20 C ATOM 636 CG TRP A 41 11.462 -10.723 -17.307 1.00 23.14 C ATOM 637 CD1 TRP A 41 10.896 -9.549 -16.902 1.00 14.33 C ATOM 638 CD2 TRP A 41 12.555 -10.370 -18.162 1.00 31.30 C ATOM 639 NE1 TRP A 41 11.570 -8.486 -17.453 1.00 70.12 N ATOM 640 CE2 TRP A 41 12.592 -8.964 -18.231 1.00 1.45 C ATOM 641 CE3 TRP A 41 13.506 -11.104 -18.876 1.00 32.42 C ATOM 642 CZ2 TRP A 41 13.543 -8.280 -18.984 1.00 32.12 C ATOM 643 CZ3 TRP A 41 14.448 -10.425 -19.624 1.00 10.51 C ATOM 644 CH2 TRP A 41 14.462 -9.024 -19.673 1.00 10.21 C ATOM 0 H TRP A 41 10.581 -14.417 -17.665 1.00 34.43 H new ATOM 0 HA TRP A 41 8.892 -12.341 -16.854 1.00 44.43 H new ATOM 0 HB2 TRP A 41 10.939 -12.172 -15.847 1.00 70.20 H new ATOM 0 HB3 TRP A 41 11.799 -12.817 -17.232 1.00 70.20 H new ATOM 0 HD1 TRP A 41 10.043 -9.467 -16.245 1.00 14.33 H new ATOM 0 HE1 TRP A 41 11.346 -7.502 -17.307 1.00 70.12 H new ATOM 0 HE3 TRP A 41 13.504 -12.184 -18.844 1.00 32.42 H new ATOM 0 HZ2 TRP A 41 13.555 -7.201 -19.023 1.00 32.12 H new ATOM 0 HZ3 TRP A 41 15.186 -10.983 -20.181 1.00 10.51 H new ATOM 0 HH2 TRP A 41 15.212 -8.522 -20.266 1.00 10.21 H new ATOM 655 N LYS A 42 8.480 -10.756 -18.705 1.00 72.20 N ATOM 656 CA LYS A 42 8.130 -9.884 -19.821 1.00 31.24 C ATOM 657 C LYS A 42 8.085 -8.426 -19.378 1.00 55.04 C ATOM 658 O LYS A 42 7.830 -8.128 -18.211 1.00 2.33 O ATOM 659 CB LYS A 42 6.777 -10.292 -20.408 1.00 21.30 C ATOM 660 CG LYS A 42 5.650 -10.306 -19.389 1.00 12.21 C ATOM 661 CD LYS A 42 5.316 -11.720 -18.946 1.00 75.33 C ATOM 662 CE LYS A 42 4.197 -11.731 -17.916 1.00 22.22 C ATOM 663 NZ LYS A 42 2.964 -11.071 -18.427 1.00 74.35 N ATOM 0 H LYS A 42 7.936 -10.594 -17.858 1.00 72.20 H new ATOM 0 HA LYS A 42 8.898 -9.989 -20.587 1.00 31.24 H new ATOM 0 HB2 LYS A 42 6.518 -9.605 -21.214 1.00 21.30 H new ATOM 0 HB3 LYS A 42 6.867 -11.284 -20.851 1.00 21.30 H new ATOM 0 HG2 LYS A 42 5.935 -9.710 -18.522 1.00 12.21 H new ATOM 0 HG3 LYS A 42 4.764 -9.840 -19.819 1.00 12.21 H new ATOM 0 HD2 LYS A 42 5.021 -12.314 -19.811 1.00 75.33 H new ATOM 0 HD3 LYS A 42 6.205 -12.190 -18.525 1.00 75.33 H new ATOM 0 HE2 LYS A 42 3.969 -12.760 -17.639 1.00 22.22 H new ATOM 0 HE3 LYS A 42 4.532 -11.224 -17.011 1.00 22.22 H new ATOM 0 HZ1 LYS A 42 2.210 -11.145 -17.714 1.00 74.35 H new ATOM 0 HZ2 LYS A 42 3.161 -10.068 -18.620 1.00 74.35 H new ATOM 0 HZ3 LYS A 42 2.658 -11.539 -19.304 1.00 74.35 H new ATOM 677 N VAL A 43 8.332 -7.519 -20.318 1.00 14.03 N ATOM 678 CA VAL A 43 8.316 -6.090 -20.026 1.00 23.23 C ATOM 679 C VAL A 43 7.054 -5.431 -20.569 1.00 23.23 C ATOM 680 O VAL A 43 6.789 -5.469 -21.771 1.00 75.31 O ATOM 681 CB VAL A 43 9.549 -5.382 -20.620 1.00 33.53 C ATOM 682 CG1 VAL A 43 9.576 -3.920 -20.204 1.00 65.54 C ATOM 683 CG2 VAL A 43 10.826 -6.091 -20.196 1.00 34.30 C ATOM 0 H VAL A 43 8.546 -7.748 -21.289 1.00 14.03 H new ATOM 0 HA VAL A 43 8.336 -5.989 -18.941 1.00 23.23 H new ATOM 0 HB VAL A 43 9.483 -5.424 -21.707 1.00 33.53 H new ATOM 0 HG11 VAL A 43 10.454 -3.436 -20.633 1.00 65.54 H new ATOM 0 HG12 VAL A 43 8.675 -3.423 -20.564 1.00 65.54 H new ATOM 0 HG13 VAL A 43 9.619 -3.852 -19.117 1.00 65.54 H new ATOM 0 HG21 VAL A 43 11.687 -5.578 -20.625 1.00 34.30 H new ATOM 0 HG22 VAL A 43 10.903 -6.083 -19.109 1.00 34.30 H new ATOM 0 HG23 VAL A 43 10.805 -7.122 -20.550 1.00 34.30 H new ATOM 693 N LEU A 44 6.277 -4.827 -19.676 1.00 61.20 N ATOM 694 CA LEU A 44 5.041 -4.158 -20.066 1.00 11.12 C ATOM 695 C LEU A 44 5.299 -2.695 -20.410 1.00 42.54 C ATOM 696 O LEU A 44 6.168 -2.052 -19.820 1.00 71.34 O ATOM 697 CB LEU A 44 4.009 -4.256 -18.941 1.00 1.41 C ATOM 698 CG LEU A 44 3.027 -5.424 -19.030 1.00 40.34 C ATOM 699 CD1 LEU A 44 2.005 -5.179 -20.129 1.00 42.23 C ATOM 700 CD2 LEU A 44 3.771 -6.729 -19.272 1.00 62.20 C ATOM 0 H LEU A 44 6.481 -4.787 -18.677 1.00 61.20 H new ATOM 0 HA LEU A 44 4.651 -4.657 -20.953 1.00 11.12 H new ATOM 0 HB2 LEU A 44 4.541 -4.327 -17.992 1.00 1.41 H new ATOM 0 HB3 LEU A 44 3.438 -3.328 -18.918 1.00 1.41 H new ATOM 0 HG LEU A 44 2.497 -5.502 -18.080 1.00 40.34 H new ATOM 0 HD11 LEU A 44 1.314 -6.021 -20.178 1.00 42.23 H new ATOM 0 HD12 LEU A 44 1.450 -4.266 -19.913 1.00 42.23 H new ATOM 0 HD13 LEU A 44 2.517 -5.074 -21.085 1.00 42.23 H new ATOM 0 HD21 LEU A 44 3.056 -7.550 -19.333 1.00 62.20 H new ATOM 0 HD22 LEU A 44 4.327 -6.663 -20.207 1.00 62.20 H new ATOM 0 HD23 LEU A 44 4.463 -6.911 -18.450 1.00 62.20 H new ATOM 712 N SER A 45 4.537 -2.173 -21.366 1.00 23.13 N ATOM 713 CA SER A 45 4.683 -0.786 -21.789 1.00 64.51 C ATOM 714 C SER A 45 3.348 -0.052 -21.720 1.00 33.23 C ATOM 715 O SER A 45 2.279 -0.660 -21.660 1.00 50.14 O ATOM 716 CB SER A 45 5.241 -0.722 -23.213 1.00 54.24 C ATOM 717 OG SER A 45 4.944 -1.907 -23.931 1.00 31.02 O ATOM 0 H SER A 45 3.812 -2.691 -21.862 1.00 23.13 H new ATOM 0 HA SER A 45 5.381 -0.297 -21.110 1.00 64.51 H new ATOM 0 HB2 SER A 45 4.819 0.138 -23.734 1.00 54.24 H new ATOM 0 HB3 SER A 45 6.321 -0.575 -23.178 1.00 54.24 H new ATOM 0 HG SER A 45 5.310 -1.840 -24.838 1.00 31.02 H new ATOM 723 N PRO A 46 3.409 1.288 -21.727 1.00 2.22 N ATOM 724 CA PRO A 46 2.214 2.135 -21.666 1.00 72.02 C ATOM 725 C PRO A 46 1.390 2.067 -22.947 1.00 1.55 C ATOM 726 O PRO A 46 0.334 2.692 -23.049 1.00 42.14 O ATOM 727 CB PRO A 46 2.786 3.541 -21.471 1.00 3.52 C ATOM 728 CG PRO A 46 4.157 3.476 -22.052 1.00 12.44 C ATOM 729 CD PRO A 46 4.649 2.079 -21.796 1.00 73.11 C ATOM 0 HA PRO A 46 1.533 1.824 -20.874 1.00 72.02 H new ATOM 0 HB2 PRO A 46 2.177 4.290 -21.977 1.00 3.52 H new ATOM 0 HB3 PRO A 46 2.816 3.814 -20.416 1.00 3.52 H new ATOM 0 HG2 PRO A 46 4.139 3.694 -23.120 1.00 12.44 H new ATOM 0 HG3 PRO A 46 4.813 4.212 -21.587 1.00 12.44 H new ATOM 0 HD2 PRO A 46 5.304 1.731 -22.595 1.00 73.11 H new ATOM 0 HD3 PRO A 46 5.217 2.017 -20.868 1.00 73.11 H new ATOM 737 N GLN A 47 1.878 1.306 -23.920 1.00 51.10 N ATOM 738 CA GLN A 47 1.186 1.158 -25.194 1.00 54.02 C ATOM 739 C GLN A 47 1.003 -0.314 -25.548 1.00 21.04 C ATOM 740 O GLN A 47 1.656 -0.832 -26.453 1.00 63.20 O ATOM 741 CB GLN A 47 1.960 1.869 -26.305 1.00 54.15 C ATOM 742 CG GLN A 47 1.129 2.139 -27.550 1.00 11.45 C ATOM 743 CD GLN A 47 -0.118 2.948 -27.255 1.00 13.34 C ATOM 744 OE1 GLN A 47 -1.225 2.565 -27.633 1.00 23.54 O ATOM 745 NE2 GLN A 47 0.055 4.075 -26.574 1.00 11.10 N ATOM 0 H GLN A 47 2.750 0.782 -23.851 1.00 51.10 H new ATOM 0 HA GLN A 47 0.201 1.614 -25.097 1.00 54.02 H new ATOM 0 HB2 GLN A 47 2.343 2.815 -25.922 1.00 54.15 H new ATOM 0 HB3 GLN A 47 2.824 1.263 -26.579 1.00 54.15 H new ATOM 0 HG2 GLN A 47 1.738 2.671 -28.280 1.00 11.45 H new ATOM 0 HG3 GLN A 47 0.843 1.190 -28.004 1.00 11.45 H new ATOM 0 HE21 GLN A 47 0.991 4.355 -26.280 1.00 11.10 H new ATOM 0 HE22 GLN A 47 -0.748 4.661 -26.345 1.00 11.10 H new ATOM 754 N GLY A 48 0.109 -0.985 -24.826 1.00 52.44 N ATOM 755 CA GLY A 48 -0.143 -2.392 -25.078 1.00 11.20 C ATOM 756 C GLY A 48 -1.273 -2.610 -26.063 1.00 73.21 C ATOM 757 O GLY A 48 -1.252 -3.564 -26.841 1.00 73.10 O ATOM 0 H GLY A 48 -0.445 -0.579 -24.072 1.00 52.44 H new ATOM 0 HA2 GLY A 48 0.765 -2.858 -25.462 1.00 11.20 H new ATOM 0 HA3 GLY A 48 -0.383 -2.889 -24.138 1.00 11.20 H new ATOM 761 N GLY A 49 -2.266 -1.726 -26.031 1.00 43.01 N ATOM 762 CA GLY A 49 -3.396 -1.846 -26.931 1.00 73.31 C ATOM 763 C GLY A 49 -3.075 -2.675 -28.159 1.00 11.20 C ATOM 764 O GLY A 49 -2.166 -2.344 -28.920 1.00 14.43 O ATOM 0 H GLY A 49 -2.307 -0.928 -25.397 1.00 43.01 H new ATOM 0 HA2 GLY A 49 -4.233 -2.299 -26.400 1.00 73.31 H new ATOM 0 HA3 GLY A 49 -3.716 -0.851 -27.242 1.00 73.31 H new ATOM 768 N GLY A 50 -3.821 -3.758 -28.353 1.00 13.50 N ATOM 769 CA GLY A 50 -3.594 -4.621 -29.497 1.00 2.15 C ATOM 770 C GLY A 50 -3.484 -6.082 -29.109 1.00 5.32 C ATOM 771 O GLY A 50 -4.376 -6.648 -28.476 1.00 52.14 O ATOM 0 H GLY A 50 -4.579 -4.053 -27.738 1.00 13.50 H new ATOM 0 HA2 GLY A 50 -4.410 -4.498 -30.209 1.00 2.15 H new ATOM 0 HA3 GLY A 50 -2.680 -4.313 -30.004 1.00 2.15 H new ATOM 775 N PRO A 51 -2.366 -6.718 -29.491 1.00 13.41 N ATOM 776 CA PRO A 51 -2.116 -8.130 -29.191 1.00 11.40 C ATOM 777 C PRO A 51 -1.861 -8.371 -27.707 1.00 54.01 C ATOM 778 O PRO A 51 -1.744 -9.513 -27.265 1.00 31.55 O ATOM 779 CB PRO A 51 -0.862 -8.450 -30.008 1.00 23.03 C ATOM 780 CG PRO A 51 -0.172 -7.139 -30.170 1.00 74.24 C ATOM 781 CD PRO A 51 -1.260 -6.105 -30.247 1.00 75.10 C ATOM 0 HA PRO A 51 -2.973 -8.757 -29.437 1.00 11.40 H new ATOM 0 HB2 PRO A 51 -0.227 -9.171 -29.493 1.00 23.03 H new ATOM 0 HB3 PRO A 51 -1.119 -8.884 -30.974 1.00 23.03 H new ATOM 0 HG2 PRO A 51 0.494 -6.942 -29.330 1.00 74.24 H new ATOM 0 HG3 PRO A 51 0.440 -7.129 -31.072 1.00 74.24 H new ATOM 0 HD2 PRO A 51 -0.947 -5.159 -29.806 1.00 75.10 H new ATOM 0 HD3 PRO A 51 -1.545 -5.897 -31.278 1.00 75.10 H new ATOM 789 N TRP A 52 -1.778 -7.288 -26.942 1.00 61.45 N ATOM 790 CA TRP A 52 -1.538 -7.382 -25.507 1.00 2.02 C ATOM 791 C TRP A 52 -2.680 -8.114 -24.811 1.00 13.33 C ATOM 792 O TRP A 52 -2.554 -8.524 -23.657 1.00 13.21 O ATOM 793 CB TRP A 52 -1.367 -5.987 -24.905 1.00 3.50 C ATOM 794 CG TRP A 52 0.064 -5.549 -24.816 1.00 12.32 C ATOM 795 CD1 TRP A 52 0.758 -5.243 -23.680 1.00 21.44 C ATOM 796 CD2 TRP A 52 0.974 -5.367 -25.906 1.00 24.14 C ATOM 797 NE1 TRP A 52 2.045 -4.882 -23.998 1.00 21.21 N ATOM 798 CE2 TRP A 52 2.203 -4.951 -25.357 1.00 52.02 C ATOM 799 CE3 TRP A 52 0.870 -5.516 -27.291 1.00 65.21 C ATOM 800 CZ2 TRP A 52 3.317 -4.682 -26.148 1.00 21.44 C ATOM 801 CZ3 TRP A 52 1.978 -5.250 -28.075 1.00 1.34 C ATOM 802 CH2 TRP A 52 3.188 -4.837 -27.501 1.00 0.52 C ATOM 0 H TRP A 52 -1.873 -6.335 -27.292 1.00 61.45 H new ATOM 0 HA TRP A 52 -0.621 -7.950 -25.354 1.00 2.02 H new ATOM 0 HB2 TRP A 52 -1.922 -5.269 -25.508 1.00 3.50 H new ATOM 0 HB3 TRP A 52 -1.806 -5.973 -23.908 1.00 3.50 H new ATOM 0 HD1 TRP A 52 0.354 -5.279 -22.679 1.00 21.44 H new ATOM 0 HE1 TRP A 52 2.766 -4.607 -23.331 1.00 21.21 H new ATOM 0 HE3 TRP A 52 -0.059 -5.833 -27.742 1.00 65.21 H new ATOM 0 HZ2 TRP A 52 4.250 -4.362 -25.709 1.00 21.44 H new ATOM 0 HZ3 TRP A 52 1.910 -5.362 -29.147 1.00 1.34 H new ATOM 0 HH2 TRP A 52 4.036 -4.637 -28.140 1.00 0.52 H new ATOM 813 N ASP A 53 -3.792 -8.274 -25.519 1.00 32.24 N ATOM 814 CA ASP A 53 -4.957 -8.957 -24.968 1.00 35.43 C ATOM 815 C ASP A 53 -4.673 -10.444 -24.774 1.00 42.21 C ATOM 816 O ASP A 53 -5.319 -11.109 -23.964 1.00 63.12 O ATOM 817 CB ASP A 53 -6.166 -8.772 -25.887 1.00 63.24 C ATOM 818 CG ASP A 53 -6.089 -9.641 -27.128 1.00 45.30 C ATOM 819 OD1 ASP A 53 -5.014 -9.674 -27.762 1.00 25.00 O ATOM 820 OD2 ASP A 53 -7.103 -10.286 -27.464 1.00 32.31 O ATOM 0 H ASP A 53 -3.912 -7.940 -26.475 1.00 32.24 H new ATOM 0 HA ASP A 53 -5.179 -8.517 -23.996 1.00 35.43 H new ATOM 0 HB2 ASP A 53 -7.077 -9.009 -25.337 1.00 63.24 H new ATOM 0 HB3 ASP A 53 -6.236 -7.726 -26.184 1.00 63.24 H new ATOM 825 N SER A 54 -3.703 -10.959 -25.524 1.00 34.14 N ATOM 826 CA SER A 54 -3.338 -12.367 -25.437 1.00 31.41 C ATOM 827 C SER A 54 -2.758 -12.696 -24.065 1.00 10.33 C ATOM 828 O SER A 54 -2.950 -13.794 -23.544 1.00 22.05 O ATOM 829 CB SER A 54 -2.325 -12.721 -26.528 1.00 43.21 C ATOM 830 OG SER A 54 -2.831 -13.727 -27.388 1.00 14.23 O ATOM 0 H SER A 54 -3.157 -10.422 -26.198 1.00 34.14 H new ATOM 0 HA SER A 54 -4.241 -12.960 -25.582 1.00 31.41 H new ATOM 0 HB2 SER A 54 -2.084 -11.830 -27.108 1.00 43.21 H new ATOM 0 HB3 SER A 54 -1.397 -13.063 -26.070 1.00 43.21 H new ATOM 0 HG SER A 54 -2.165 -13.934 -28.077 1.00 14.23 H new ATOM 836 N VAL A 55 -2.049 -11.734 -23.484 1.00 11.13 N ATOM 837 CA VAL A 55 -1.442 -11.918 -22.171 1.00 64.23 C ATOM 838 C VAL A 55 -1.915 -10.849 -21.192 1.00 62.20 C ATOM 839 O VAL A 55 -2.693 -11.129 -20.280 1.00 64.13 O ATOM 840 CB VAL A 55 0.096 -11.879 -22.253 1.00 30.11 C ATOM 841 CG1 VAL A 55 0.657 -13.281 -22.431 1.00 72.42 C ATOM 842 CG2 VAL A 55 0.545 -10.968 -23.385 1.00 64.44 C ATOM 0 H VAL A 55 -1.881 -10.819 -23.902 1.00 11.13 H new ATOM 0 HA VAL A 55 -1.755 -12.899 -21.813 1.00 64.23 H new ATOM 0 HB VAL A 55 0.483 -11.476 -21.317 1.00 30.11 H new ATOM 0 HG11 VAL A 55 1.745 -13.233 -22.487 1.00 72.42 H new ATOM 0 HG12 VAL A 55 0.364 -13.900 -21.583 1.00 72.42 H new ATOM 0 HG13 VAL A 55 0.265 -13.716 -23.351 1.00 72.42 H new ATOM 0 HG21 VAL A 55 1.634 -10.952 -23.429 1.00 64.44 H new ATOM 0 HG22 VAL A 55 0.149 -11.340 -24.330 1.00 64.44 H new ATOM 0 HG23 VAL A 55 0.174 -9.958 -23.208 1.00 64.44 H new ATOM 852 N ALA A 56 -1.441 -9.624 -21.388 1.00 3.41 N ATOM 853 CA ALA A 56 -1.817 -8.511 -20.524 1.00 31.53 C ATOM 854 C ALA A 56 -1.659 -7.178 -21.245 1.00 33.21 C ATOM 855 O ALA A 56 -0.890 -7.065 -22.199 1.00 42.23 O ATOM 856 CB ALA A 56 -0.983 -8.527 -19.250 1.00 55.41 C ATOM 0 H ALA A 56 -0.795 -9.376 -22.138 1.00 3.41 H new ATOM 0 HA ALA A 56 -2.868 -8.628 -20.259 1.00 31.53 H new ATOM 0 HB1 ALA A 56 -1.274 -7.691 -18.614 1.00 55.41 H new ATOM 0 HB2 ALA A 56 -1.150 -9.463 -18.717 1.00 55.41 H new ATOM 0 HB3 ALA A 56 0.073 -8.438 -19.505 1.00 55.41 H new ATOM 862 N ARG A 57 -2.394 -6.171 -20.785 1.00 34.05 N ATOM 863 CA ARG A 57 -2.337 -4.845 -21.387 1.00 41.34 C ATOM 864 C ARG A 57 -2.168 -3.768 -20.319 1.00 73.11 C ATOM 865 O ARG A 57 -2.437 -4.001 -19.141 1.00 1.14 O ATOM 866 CB ARG A 57 -3.605 -4.577 -22.201 1.00 42.15 C ATOM 867 CG ARG A 57 -4.156 -5.812 -22.895 1.00 0.32 C ATOM 868 CD ARG A 57 -5.148 -6.551 -22.010 1.00 61.32 C ATOM 869 NE ARG A 57 -6.435 -5.865 -21.940 1.00 53.24 N ATOM 870 CZ ARG A 57 -7.280 -5.783 -22.962 1.00 54.51 C ATOM 871 NH1 ARG A 57 -6.976 -6.341 -24.125 1.00 30.41 N ATOM 872 NH2 ARG A 57 -8.434 -5.141 -22.820 1.00 71.41 N ATOM 0 H ARG A 57 -3.036 -6.249 -19.997 1.00 34.05 H new ATOM 0 HA ARG A 57 -1.473 -4.812 -22.050 1.00 41.34 H new ATOM 0 HB2 ARG A 57 -4.371 -4.169 -21.541 1.00 42.15 H new ATOM 0 HB3 ARG A 57 -3.391 -3.815 -22.950 1.00 42.15 H new ATOM 0 HG2 ARG A 57 -4.643 -5.521 -23.826 1.00 0.32 H new ATOM 0 HG3 ARG A 57 -3.335 -6.479 -23.160 1.00 0.32 H new ATOM 0 HD2 ARG A 57 -5.295 -7.560 -22.395 1.00 61.32 H new ATOM 0 HD3 ARG A 57 -4.735 -6.650 -21.006 1.00 61.32 H new ATOM 0 HE ARG A 57 -6.700 -5.425 -21.059 1.00 53.24 H new ATOM 0 HH11 ARG A 57 -6.091 -6.835 -24.238 1.00 30.41 H new ATOM 0 HH12 ARG A 57 -7.627 -6.276 -24.907 1.00 30.41 H new ATOM 0 HH21 ARG A 57 -8.672 -4.711 -21.926 1.00 71.41 H new ATOM 0 HH22 ARG A 57 -9.083 -5.078 -23.605 1.00 71.41 H new ATOM 886 N VAL A 58 -1.721 -2.589 -20.741 1.00 33.34 N ATOM 887 CA VAL A 58 -1.516 -1.476 -19.820 1.00 74.11 C ATOM 888 C VAL A 58 -2.563 -0.387 -20.035 1.00 22.43 C ATOM 889 O VAL A 58 -2.793 0.054 -21.160 1.00 51.42 O ATOM 890 CB VAL A 58 -0.113 -0.864 -19.984 1.00 34.13 C ATOM 891 CG1 VAL A 58 -0.048 0.506 -19.325 1.00 22.30 C ATOM 892 CG2 VAL A 58 0.943 -1.793 -19.407 1.00 45.20 C ATOM 0 H VAL A 58 -1.494 -2.380 -21.713 1.00 33.34 H new ATOM 0 HA VAL A 58 -1.613 -1.876 -18.811 1.00 74.11 H new ATOM 0 HB VAL A 58 0.088 -0.739 -21.048 1.00 34.13 H new ATOM 0 HG11 VAL A 58 0.951 0.923 -19.451 1.00 22.30 H new ATOM 0 HG12 VAL A 58 -0.779 1.168 -19.789 1.00 22.30 H new ATOM 0 HG13 VAL A 58 -0.269 0.409 -18.262 1.00 22.30 H new ATOM 0 HG21 VAL A 58 1.929 -1.345 -19.531 1.00 45.20 H new ATOM 0 HG22 VAL A 58 0.748 -1.952 -18.346 1.00 45.20 H new ATOM 0 HG23 VAL A 58 0.911 -2.749 -19.929 1.00 45.20 H new ATOM 902 N LEU A 59 -3.194 0.041 -18.947 1.00 23.43 N ATOM 903 CA LEU A 59 -4.216 1.079 -19.013 1.00 71.33 C ATOM 904 C LEU A 59 -3.589 2.444 -19.284 1.00 31.45 C ATOM 905 O LEU A 59 -2.402 2.667 -19.045 1.00 23.14 O ATOM 906 CB LEU A 59 -5.015 1.121 -17.710 1.00 44.22 C ATOM 907 CG LEU A 59 -6.100 0.056 -17.553 1.00 52.20 C ATOM 908 CD1 LEU A 59 -6.651 0.060 -16.136 1.00 33.20 C ATOM 909 CD2 LEU A 59 -7.217 0.280 -18.563 1.00 64.23 C ATOM 0 H LEU A 59 -3.015 -0.315 -18.008 1.00 23.43 H new ATOM 0 HA LEU A 59 -4.889 0.839 -19.836 1.00 71.33 H new ATOM 0 HB2 LEU A 59 -4.318 1.027 -16.877 1.00 44.22 H new ATOM 0 HB3 LEU A 59 -5.482 2.102 -17.625 1.00 44.22 H new ATOM 0 HG LEU A 59 -5.655 -0.920 -17.744 1.00 52.20 H new ATOM 0 HD11 LEU A 59 -7.422 -0.705 -16.043 1.00 33.20 H new ATOM 0 HD12 LEU A 59 -5.846 -0.150 -15.432 1.00 33.20 H new ATOM 0 HD13 LEU A 59 -7.081 1.037 -15.915 1.00 33.20 H new ATOM 0 HD21 LEU A 59 -7.981 -0.487 -18.437 1.00 64.23 H new ATOM 0 HD22 LEU A 59 -7.660 1.263 -18.403 1.00 64.23 H new ATOM 0 HD23 LEU A 59 -6.811 0.225 -19.573 1.00 64.23 H new ATOM 921 N PRO A 60 -4.405 3.379 -19.792 1.00 21.01 N ATOM 922 CA PRO A 60 -3.952 4.739 -20.103 1.00 13.04 C ATOM 923 C PRO A 60 -3.645 5.548 -18.847 1.00 71.24 C ATOM 924 O PRO A 60 -2.912 6.534 -18.899 1.00 4.45 O ATOM 925 CB PRO A 60 -5.142 5.345 -20.852 1.00 24.11 C ATOM 926 CG PRO A 60 -6.324 4.577 -20.372 1.00 25.25 C ATOM 927 CD PRO A 60 -5.830 3.182 -20.102 1.00 12.03 C ATOM 0 HA PRO A 60 -3.025 4.740 -20.676 1.00 13.04 H new ATOM 0 HB2 PRO A 60 -5.246 6.408 -20.635 1.00 24.11 H new ATOM 0 HB3 PRO A 60 -5.020 5.250 -21.931 1.00 24.11 H new ATOM 0 HG2 PRO A 60 -6.740 5.025 -19.470 1.00 25.25 H new ATOM 0 HG3 PRO A 60 -7.116 4.572 -21.120 1.00 25.25 H new ATOM 0 HD2 PRO A 60 -6.362 2.721 -19.270 1.00 12.03 H new ATOM 0 HD3 PRO A 60 -5.967 2.533 -20.967 1.00 12.03 H new ATOM 935 N ASN A 61 -4.210 5.124 -17.722 1.00 72.11 N ATOM 936 CA ASN A 61 -3.995 5.811 -16.453 1.00 71.42 C ATOM 937 C ASN A 61 -2.691 5.359 -15.804 1.00 71.52 C ATOM 938 O ASN A 61 -2.343 5.802 -14.710 1.00 74.34 O ATOM 939 CB ASN A 61 -5.167 5.551 -15.504 1.00 40.25 C ATOM 940 CG ASN A 61 -5.583 4.093 -15.485 1.00 74.22 C ATOM 941 OD1 ASN A 61 -4.766 3.199 -15.709 1.00 14.43 O ATOM 942 ND2 ASN A 61 -6.861 3.846 -15.218 1.00 64.40 N ATOM 0 H ASN A 61 -4.820 4.309 -17.662 1.00 72.11 H new ATOM 0 HA ASN A 61 -3.929 6.880 -16.654 1.00 71.42 H new ATOM 0 HB2 ASN A 61 -4.890 5.860 -14.496 1.00 40.25 H new ATOM 0 HB3 ASN A 61 -6.017 6.165 -15.804 1.00 40.25 H new ATOM 0 HD21 ASN A 61 -7.200 2.884 -15.193 1.00 64.40 H new ATOM 0 HD22 ASN A 61 -7.503 4.618 -15.038 1.00 64.40 H new ATOM 949 N GLY A 62 -1.972 4.473 -16.487 1.00 13.13 N ATOM 950 CA GLY A 62 -0.714 3.975 -15.962 1.00 0.54 C ATOM 951 C GLY A 62 -0.890 2.726 -15.121 1.00 61.03 C ATOM 952 O GLY A 62 -0.071 2.436 -14.250 1.00 4.04 O ATOM 0 H GLY A 62 -2.238 4.091 -17.395 1.00 13.13 H new ATOM 0 HA2 GLY A 62 -0.038 3.760 -16.790 1.00 0.54 H new ATOM 0 HA3 GLY A 62 -0.243 4.751 -15.360 1.00 0.54 H new ATOM 956 N SER A 63 -1.963 1.986 -15.382 1.00 23.33 N ATOM 957 CA SER A 63 -2.246 0.764 -14.638 1.00 73.22 C ATOM 958 C SER A 63 -2.070 -0.465 -15.526 1.00 2.42 C ATOM 959 O SER A 63 -1.707 -0.352 -16.697 1.00 23.21 O ATOM 960 CB SER A 63 -3.669 0.801 -14.078 1.00 13.32 C ATOM 961 OG SER A 63 -3.766 1.707 -12.992 1.00 62.12 O ATOM 0 H SER A 63 -2.650 2.211 -16.102 1.00 23.33 H new ATOM 0 HA SER A 63 -1.539 0.699 -13.811 1.00 73.22 H new ATOM 0 HB2 SER A 63 -4.365 1.094 -14.864 1.00 13.32 H new ATOM 0 HB3 SER A 63 -3.960 -0.197 -13.750 1.00 13.32 H new ATOM 0 HG SER A 63 -4.685 1.714 -12.653 1.00 62.12 H new ATOM 967 N LEU A 64 -2.328 -1.638 -14.959 1.00 70.11 N ATOM 968 CA LEU A 64 -2.198 -2.889 -15.697 1.00 32.24 C ATOM 969 C LEU A 64 -3.455 -3.743 -15.548 1.00 62.12 C ATOM 970 O LEU A 64 -3.908 -4.009 -14.435 1.00 51.11 O ATOM 971 CB LEU A 64 -0.977 -3.669 -15.206 1.00 74.32 C ATOM 972 CG LEU A 64 -0.549 -4.858 -16.069 1.00 4.53 C ATOM 973 CD1 LEU A 64 0.311 -4.389 -17.232 1.00 52.12 C ATOM 974 CD2 LEU A 64 0.199 -5.883 -15.230 1.00 40.22 C ATOM 0 H LEU A 64 -2.628 -1.749 -13.991 1.00 70.11 H new ATOM 0 HA LEU A 64 -2.068 -2.648 -16.752 1.00 32.24 H new ATOM 0 HB2 LEU A 64 -0.136 -2.979 -15.130 1.00 74.32 H new ATOM 0 HB3 LEU A 64 -1.183 -4.032 -14.199 1.00 74.32 H new ATOM 0 HG LEU A 64 -1.444 -5.332 -16.473 1.00 4.53 H new ATOM 0 HD11 LEU A 64 0.607 -5.247 -17.835 1.00 52.12 H new ATOM 0 HD12 LEU A 64 -0.258 -3.692 -17.847 1.00 52.12 H new ATOM 0 HD13 LEU A 64 1.202 -3.891 -16.848 1.00 52.12 H new ATOM 0 HD21 LEU A 64 0.496 -6.722 -15.860 1.00 40.22 H new ATOM 0 HD22 LEU A 64 1.087 -5.421 -14.798 1.00 40.22 H new ATOM 0 HD23 LEU A 64 -0.449 -6.241 -14.430 1.00 40.22 H new ATOM 986 N PHE A 65 -4.010 -4.170 -16.676 1.00 73.42 N ATOM 987 CA PHE A 65 -5.213 -4.995 -16.672 1.00 10.32 C ATOM 988 C PHE A 65 -4.997 -6.276 -17.471 1.00 30.21 C ATOM 989 O PHE A 65 -4.487 -6.245 -18.592 1.00 42.41 O ATOM 990 CB PHE A 65 -6.395 -4.213 -17.250 1.00 23.12 C ATOM 991 CG PHE A 65 -7.608 -5.062 -17.503 1.00 45.01 C ATOM 992 CD1 PHE A 65 -8.047 -5.967 -16.551 1.00 30.03 C ATOM 993 CD2 PHE A 65 -8.308 -4.954 -18.693 1.00 55.30 C ATOM 994 CE1 PHE A 65 -9.164 -6.749 -16.781 1.00 4.35 C ATOM 995 CE2 PHE A 65 -9.426 -5.732 -18.928 1.00 70.55 C ATOM 996 CZ PHE A 65 -9.853 -6.632 -17.971 1.00 54.23 C ATOM 0 H PHE A 65 -3.647 -3.959 -17.605 1.00 73.42 H new ATOM 0 HA PHE A 65 -5.435 -5.265 -15.640 1.00 10.32 H new ATOM 0 HB2 PHE A 65 -6.660 -3.410 -16.562 1.00 23.12 H new ATOM 0 HB3 PHE A 65 -6.088 -3.744 -18.185 1.00 23.12 H new ATOM 0 HD1 PHE A 65 -7.511 -6.063 -15.618 1.00 30.03 H new ATOM 0 HD2 PHE A 65 -7.977 -4.254 -19.446 1.00 55.30 H new ATOM 0 HE1 PHE A 65 -9.497 -7.450 -16.030 1.00 4.35 H new ATOM 0 HE2 PHE A 65 -9.965 -5.636 -19.859 1.00 70.55 H new ATOM 0 HZ PHE A 65 -10.725 -7.243 -18.154 1.00 54.23 H new ATOM 1006 N LEU A 66 -5.388 -7.404 -16.887 1.00 13.10 N ATOM 1007 CA LEU A 66 -5.238 -8.698 -17.544 1.00 70.42 C ATOM 1008 C LEU A 66 -6.594 -9.359 -17.761 1.00 73.13 C ATOM 1009 O LEU A 66 -7.410 -9.476 -16.846 1.00 51.31 O ATOM 1010 CB LEU A 66 -4.339 -9.613 -16.710 1.00 73.11 C ATOM 1011 CG LEU A 66 -2.936 -9.086 -16.412 1.00 61.32 C ATOM 1012 CD1 LEU A 66 -2.958 -8.158 -15.207 1.00 74.20 C ATOM 1013 CD2 LEU A 66 -1.970 -10.240 -16.181 1.00 51.21 C ATOM 0 H LEU A 66 -5.811 -7.448 -15.960 1.00 13.10 H new ATOM 0 HA LEU A 66 -4.776 -8.533 -18.517 1.00 70.42 H new ATOM 0 HB2 LEU A 66 -4.839 -9.814 -15.762 1.00 73.11 H new ATOM 0 HB3 LEU A 66 -4.244 -10.567 -17.229 1.00 73.11 H new ATOM 0 HG LEU A 66 -2.592 -8.518 -17.276 1.00 61.32 H new ATOM 0 HD11 LEU A 66 -1.950 -7.793 -15.010 1.00 74.20 H new ATOM 0 HD12 LEU A 66 -3.617 -7.314 -15.410 1.00 74.20 H new ATOM 0 HD13 LEU A 66 -3.323 -8.702 -14.336 1.00 74.20 H new ATOM 0 HD21 LEU A 66 -0.976 -9.846 -15.970 1.00 51.21 H new ATOM 0 HD22 LEU A 66 -2.311 -10.836 -15.334 1.00 51.21 H new ATOM 0 HD23 LEU A 66 -1.931 -10.866 -17.073 1.00 51.21 H new ATOM 1025 N PRO A 67 -6.844 -9.805 -19.001 1.00 65.45 N ATOM 1026 CA PRO A 67 -8.101 -10.465 -19.368 1.00 64.23 C ATOM 1027 C PRO A 67 -8.234 -11.848 -18.739 1.00 43.43 C ATOM 1028 O PRO A 67 -9.336 -12.288 -18.413 1.00 54.22 O ATOM 1029 CB PRO A 67 -8.010 -10.578 -20.893 1.00 0.53 C ATOM 1030 CG PRO A 67 -6.550 -10.577 -21.187 1.00 12.23 C ATOM 1031 CD PRO A 67 -5.918 -9.700 -20.142 1.00 44.31 C ATOM 0 HA PRO A 67 -8.971 -9.909 -19.019 1.00 64.23 H new ATOM 0 HB2 PRO A 67 -8.485 -11.491 -21.251 1.00 0.53 H new ATOM 0 HB3 PRO A 67 -8.513 -9.744 -21.382 1.00 0.53 H new ATOM 0 HG2 PRO A 67 -6.143 -11.587 -21.147 1.00 12.23 H new ATOM 0 HG3 PRO A 67 -6.354 -10.194 -22.189 1.00 12.23 H new ATOM 0 HD2 PRO A 67 -4.918 -10.044 -19.880 1.00 44.31 H new ATOM 0 HD3 PRO A 67 -5.821 -8.671 -20.487 1.00 44.31 H new ATOM 1039 N ALA A 68 -7.104 -12.528 -18.570 1.00 15.12 N ATOM 1040 CA ALA A 68 -7.096 -13.860 -17.978 1.00 1.40 C ATOM 1041 C ALA A 68 -5.676 -14.302 -17.644 1.00 25.51 C ATOM 1042 O ALA A 68 -4.925 -14.726 -18.523 1.00 3.14 O ATOM 1043 CB ALA A 68 -7.757 -14.858 -18.916 1.00 24.55 C ATOM 0 H ALA A 68 -6.183 -12.178 -18.835 1.00 15.12 H new ATOM 0 HA ALA A 68 -7.664 -13.823 -17.049 1.00 1.40 H new ATOM 0 HB1 ALA A 68 -7.744 -15.849 -18.461 1.00 24.55 H new ATOM 0 HB2 ALA A 68 -8.788 -14.557 -19.100 1.00 24.55 H new ATOM 0 HB3 ALA A 68 -7.213 -14.885 -19.860 1.00 24.55 H new ATOM 1049 N VAL A 69 -5.313 -14.203 -16.370 1.00 3.24 N ATOM 1050 CA VAL A 69 -3.982 -14.594 -15.920 1.00 35.11 C ATOM 1051 C VAL A 69 -3.831 -16.111 -15.906 1.00 2.15 C ATOM 1052 O VAL A 69 -4.523 -16.807 -15.163 1.00 44.02 O ATOM 1053 CB VAL A 69 -3.681 -14.045 -14.513 1.00 31.24 C ATOM 1054 CG1 VAL A 69 -3.464 -12.541 -14.560 1.00 70.21 C ATOM 1055 CG2 VAL A 69 -4.806 -14.399 -13.552 1.00 20.23 C ATOM 0 H VAL A 69 -5.922 -13.855 -15.630 1.00 3.24 H new ATOM 0 HA VAL A 69 -3.270 -14.168 -16.627 1.00 35.11 H new ATOM 0 HB VAL A 69 -2.763 -14.508 -14.151 1.00 31.24 H new ATOM 0 HG11 VAL A 69 -3.253 -12.172 -13.556 1.00 70.21 H new ATOM 0 HG12 VAL A 69 -2.622 -12.315 -15.214 1.00 70.21 H new ATOM 0 HG13 VAL A 69 -4.362 -12.056 -14.943 1.00 70.21 H new ATOM 0 HG21 VAL A 69 -4.577 -14.004 -12.562 1.00 20.23 H new ATOM 0 HG22 VAL A 69 -5.740 -13.965 -13.909 1.00 20.23 H new ATOM 0 HG23 VAL A 69 -4.908 -15.483 -13.495 1.00 20.23 H new ATOM 1065 N GLY A 70 -2.921 -16.618 -16.732 1.00 54.40 N ATOM 1066 CA GLY A 70 -2.694 -18.049 -16.799 1.00 14.32 C ATOM 1067 C GLY A 70 -1.661 -18.520 -15.796 1.00 44.11 C ATOM 1068 O GLY A 70 -0.923 -17.713 -15.228 1.00 74.23 O ATOM 0 H GLY A 70 -2.337 -16.062 -17.356 1.00 54.40 H new ATOM 0 HA2 GLY A 70 -3.634 -18.571 -16.620 1.00 14.32 H new ATOM 0 HA3 GLY A 70 -2.367 -18.315 -17.804 1.00 14.32 H new ATOM 1072 N ILE A 71 -1.606 -19.829 -15.575 1.00 32.24 N ATOM 1073 CA ILE A 71 -0.655 -20.405 -14.632 1.00 72.44 C ATOM 1074 C ILE A 71 0.772 -19.984 -14.965 1.00 43.20 C ATOM 1075 O ILE A 71 1.617 -19.867 -14.078 1.00 2.52 O ATOM 1076 CB ILE A 71 -0.736 -21.943 -14.621 1.00 64.51 C ATOM 1077 CG1 ILE A 71 -0.498 -22.478 -13.207 1.00 71.45 C ATOM 1078 CG2 ILE A 71 0.276 -22.533 -15.593 1.00 11.14 C ATOM 1079 CD1 ILE A 71 0.316 -23.753 -13.173 1.00 20.44 C ATOM 0 H ILE A 71 -2.209 -20.511 -16.036 1.00 32.24 H new ATOM 0 HA ILE A 71 -0.921 -20.028 -13.644 1.00 72.44 H new ATOM 0 HB ILE A 71 -1.735 -22.242 -14.939 1.00 64.51 H new ATOM 0 HG12 ILE A 71 0.012 -21.715 -12.619 1.00 71.45 H new ATOM 0 HG13 ILE A 71 -1.461 -22.658 -12.728 1.00 71.45 H new ATOM 0 HG21 ILE A 71 0.207 -23.621 -15.574 1.00 11.14 H new ATOM 0 HG22 ILE A 71 0.066 -22.173 -16.600 1.00 11.14 H new ATOM 0 HG23 ILE A 71 1.281 -22.228 -15.301 1.00 11.14 H new ATOM 0 HD11 ILE A 71 0.445 -24.075 -12.140 1.00 20.44 H new ATOM 0 HD12 ILE A 71 -0.203 -24.531 -13.733 1.00 20.44 H new ATOM 0 HD13 ILE A 71 1.293 -23.573 -13.622 1.00 20.44 H new ATOM 1091 N GLN A 72 1.032 -19.756 -16.248 1.00 51.11 N ATOM 1092 CA GLN A 72 2.358 -19.346 -16.698 1.00 14.43 C ATOM 1093 C GLN A 72 2.613 -17.878 -16.370 1.00 24.14 C ATOM 1094 O GLN A 72 3.762 -17.446 -16.269 1.00 32.41 O ATOM 1095 CB GLN A 72 2.503 -19.578 -18.202 1.00 73.10 C ATOM 1096 CG GLN A 72 1.498 -18.801 -19.038 1.00 23.41 C ATOM 1097 CD GLN A 72 1.274 -19.419 -20.404 1.00 45.20 C ATOM 1098 OE1 GLN A 72 0.137 -19.585 -20.845 1.00 20.45 O ATOM 1099 NE2 GLN A 72 2.363 -19.762 -21.084 1.00 72.22 N ATOM 0 H GLN A 72 0.343 -19.848 -16.994 1.00 51.11 H new ATOM 0 HA GLN A 72 3.097 -19.951 -16.172 1.00 14.43 H new ATOM 0 HB2 GLN A 72 3.511 -19.299 -18.509 1.00 73.10 H new ATOM 0 HB3 GLN A 72 2.390 -20.642 -18.410 1.00 73.10 H new ATOM 0 HG2 GLN A 72 0.548 -18.752 -18.505 1.00 23.41 H new ATOM 0 HG3 GLN A 72 1.848 -17.776 -19.160 1.00 23.41 H new ATOM 0 HE21 GLN A 72 3.287 -19.606 -20.680 1.00 72.22 H new ATOM 0 HE22 GLN A 72 2.275 -20.181 -22.010 1.00 72.22 H new ATOM 1108 N ASP A 73 1.537 -17.117 -16.205 1.00 31.44 N ATOM 1109 CA ASP A 73 1.644 -15.698 -15.889 1.00 24.15 C ATOM 1110 C ASP A 73 1.902 -15.492 -14.399 1.00 11.24 C ATOM 1111 O ASP A 73 2.114 -14.368 -13.946 1.00 52.04 O ATOM 1112 CB ASP A 73 0.370 -14.963 -16.305 1.00 63.22 C ATOM 1113 CG ASP A 73 0.505 -14.290 -17.657 1.00 24.50 C ATOM 1114 OD1 ASP A 73 1.499 -13.562 -17.861 1.00 64.32 O ATOM 1115 OD2 ASP A 73 -0.383 -14.492 -18.511 1.00 21.21 O ATOM 0 H ASP A 73 0.580 -17.460 -16.285 1.00 31.44 H new ATOM 0 HA ASP A 73 2.487 -15.289 -16.446 1.00 24.15 H new ATOM 0 HB2 ASP A 73 -0.460 -15.669 -16.335 1.00 63.22 H new ATOM 0 HB3 ASP A 73 0.124 -14.214 -15.552 1.00 63.22 H new ATOM 1120 N GLU A 74 1.882 -16.585 -13.643 1.00 34.13 N ATOM 1121 CA GLU A 74 2.111 -16.523 -12.204 1.00 74.02 C ATOM 1122 C GLU A 74 3.531 -16.053 -11.899 1.00 75.11 C ATOM 1123 O GLU A 74 4.481 -16.429 -12.584 1.00 60.01 O ATOM 1124 CB GLU A 74 1.867 -17.893 -11.566 1.00 44.43 C ATOM 1125 CG GLU A 74 3.024 -18.862 -11.747 1.00 14.03 C ATOM 1126 CD GLU A 74 2.776 -20.197 -11.072 1.00 61.22 C ATOM 1127 OE1 GLU A 74 1.824 -20.898 -11.477 1.00 23.20 O ATOM 1128 OE2 GLU A 74 3.532 -20.541 -10.140 1.00 63.14 O ATOM 0 H GLU A 74 1.710 -17.524 -14.003 1.00 34.13 H new ATOM 0 HA GLU A 74 1.410 -15.804 -11.781 1.00 74.02 H new ATOM 0 HB2 GLU A 74 1.678 -17.760 -10.501 1.00 44.43 H new ATOM 0 HB3 GLU A 74 0.967 -18.330 -11.997 1.00 44.43 H new ATOM 0 HG2 GLU A 74 3.195 -19.023 -12.811 1.00 14.03 H new ATOM 0 HG3 GLU A 74 3.933 -18.417 -11.342 1.00 14.03 H new ATOM 1135 N GLY A 75 3.665 -15.226 -10.867 1.00 15.34 N ATOM 1136 CA GLY A 75 4.970 -14.717 -10.489 1.00 1.10 C ATOM 1137 C GLY A 75 4.883 -13.431 -9.691 1.00 13.01 C ATOM 1138 O GLY A 75 3.994 -13.272 -8.854 1.00 31.52 O ATOM 0 H GLY A 75 2.893 -14.899 -10.286 1.00 15.34 H new ATOM 0 HA2 GLY A 75 5.494 -15.471 -9.901 1.00 1.10 H new ATOM 0 HA3 GLY A 75 5.563 -14.544 -11.387 1.00 1.10 H new ATOM 1142 N ILE A 76 5.808 -12.513 -9.948 1.00 4.11 N ATOM 1143 CA ILE A 76 5.831 -11.235 -9.246 1.00 60.52 C ATOM 1144 C ILE A 76 5.797 -10.069 -10.227 1.00 44.02 C ATOM 1145 O ILE A 76 6.603 -10.001 -11.155 1.00 63.32 O ATOM 1146 CB ILE A 76 7.080 -11.106 -8.355 1.00 1.22 C ATOM 1147 CG1 ILE A 76 7.091 -12.207 -7.291 1.00 50.54 C ATOM 1148 CG2 ILE A 76 7.126 -9.732 -7.703 1.00 31.32 C ATOM 1149 CD1 ILE A 76 5.873 -12.192 -6.395 1.00 32.25 C ATOM 0 H ILE A 76 6.551 -12.630 -10.637 1.00 4.11 H new ATOM 0 HA ILE A 76 4.941 -11.203 -8.617 1.00 60.52 H new ATOM 0 HB ILE A 76 7.966 -11.221 -8.979 1.00 1.22 H new ATOM 0 HG12 ILE A 76 7.158 -13.177 -7.784 1.00 50.54 H new ATOM 0 HG13 ILE A 76 7.985 -12.099 -6.677 1.00 50.54 H new ATOM 0 HG21 ILE A 76 8.015 -9.656 -7.076 1.00 31.32 H new ATOM 0 HG22 ILE A 76 7.160 -8.964 -8.475 1.00 31.32 H new ATOM 0 HG23 ILE A 76 6.236 -9.590 -7.090 1.00 31.32 H new ATOM 0 HD11 ILE A 76 5.948 -12.999 -5.666 1.00 32.25 H new ATOM 0 HD12 ILE A 76 5.816 -11.236 -5.874 1.00 32.25 H new ATOM 0 HD13 ILE A 76 4.976 -12.331 -6.998 1.00 32.25 H new ATOM 1161 N PHE A 77 4.860 -9.151 -10.015 1.00 24.34 N ATOM 1162 CA PHE A 77 4.722 -7.986 -10.879 1.00 52.11 C ATOM 1163 C PHE A 77 5.263 -6.734 -10.195 1.00 54.43 C ATOM 1164 O PHE A 77 4.976 -6.479 -9.026 1.00 11.43 O ATOM 1165 CB PHE A 77 3.254 -7.778 -11.260 1.00 72.22 C ATOM 1166 CG PHE A 77 2.958 -6.399 -11.776 1.00 21.04 C ATOM 1167 CD1 PHE A 77 2.617 -5.378 -10.903 1.00 52.45 C ATOM 1168 CD2 PHE A 77 3.021 -6.124 -13.132 1.00 54.12 C ATOM 1169 CE1 PHE A 77 2.343 -4.108 -11.375 1.00 71.13 C ATOM 1170 CE2 PHE A 77 2.748 -4.855 -13.610 1.00 33.45 C ATOM 1171 CZ PHE A 77 2.409 -3.846 -12.729 1.00 63.31 C ATOM 0 H PHE A 77 4.185 -9.192 -9.252 1.00 24.34 H new ATOM 0 HA PHE A 77 5.304 -8.165 -11.783 1.00 52.11 H new ATOM 0 HB2 PHE A 77 2.977 -8.509 -12.020 1.00 72.22 H new ATOM 0 HB3 PHE A 77 2.630 -7.973 -10.388 1.00 72.22 H new ATOM 0 HD1 PHE A 77 2.565 -5.577 -9.843 1.00 52.45 H new ATOM 0 HD2 PHE A 77 3.286 -6.909 -13.824 1.00 54.12 H new ATOM 0 HE1 PHE A 77 2.077 -3.321 -10.685 1.00 71.13 H new ATOM 0 HE2 PHE A 77 2.800 -4.653 -14.670 1.00 33.45 H new ATOM 0 HZ PHE A 77 2.196 -2.854 -13.099 1.00 63.31 H new ATOM 1181 N ARG A 78 6.048 -5.956 -10.934 1.00 41.23 N ATOM 1182 CA ARG A 78 6.632 -4.732 -10.399 1.00 42.24 C ATOM 1183 C ARG A 78 6.341 -3.546 -11.315 1.00 33.22 C ATOM 1184 O ARG A 78 6.271 -3.692 -12.535 1.00 72.33 O ATOM 1185 CB ARG A 78 8.143 -4.895 -10.224 1.00 22.45 C ATOM 1186 CG ARG A 78 8.533 -6.126 -9.422 1.00 72.20 C ATOM 1187 CD ARG A 78 9.954 -6.567 -9.734 1.00 64.01 C ATOM 1188 NE ARG A 78 10.069 -8.020 -9.828 1.00 13.54 N ATOM 1189 CZ ARG A 78 11.230 -8.665 -9.857 1.00 61.00 C ATOM 1190 NH1 ARG A 78 12.369 -7.989 -9.798 1.00 21.40 N ATOM 1191 NH2 ARG A 78 11.252 -9.989 -9.943 1.00 24.23 N ATOM 0 H ARG A 78 6.294 -6.152 -11.904 1.00 41.23 H new ATOM 0 HA ARG A 78 6.180 -4.539 -9.426 1.00 42.24 H new ATOM 0 HB2 ARG A 78 8.611 -4.949 -11.207 1.00 22.45 H new ATOM 0 HB3 ARG A 78 8.541 -4.009 -9.730 1.00 22.45 H new ATOM 0 HG2 ARG A 78 8.443 -5.911 -8.357 1.00 72.20 H new ATOM 0 HG3 ARG A 78 7.842 -6.939 -9.643 1.00 72.20 H new ATOM 0 HD2 ARG A 78 10.275 -6.117 -10.673 1.00 64.01 H new ATOM 0 HD3 ARG A 78 10.626 -6.200 -8.958 1.00 64.01 H new ATOM 0 HE ARG A 78 9.211 -8.570 -9.874 1.00 13.54 H new ATOM 0 HH11 ARG A 78 12.355 -6.971 -9.730 1.00 21.40 H new ATOM 0 HH12 ARG A 78 13.259 -8.487 -9.820 1.00 21.40 H new ATOM 0 HH21 ARG A 78 10.377 -10.512 -9.987 1.00 24.23 H new ATOM 0 HH22 ARG A 78 12.144 -10.484 -9.965 1.00 24.23 H new ATOM 1205 N CYS A 79 6.172 -2.371 -10.717 1.00 74.54 N ATOM 1206 CA CYS A 79 5.888 -1.160 -11.477 1.00 52.50 C ATOM 1207 C CYS A 79 6.884 -0.056 -11.135 1.00 2.45 C ATOM 1208 O CYS A 79 7.449 -0.034 -10.041 1.00 31.43 O ATOM 1209 CB CYS A 79 4.462 -0.680 -11.197 1.00 44.53 C ATOM 1210 SG CYS A 79 3.886 0.632 -12.322 1.00 31.15 S ATOM 0 H CYS A 79 6.227 -2.232 -9.708 1.00 74.54 H new ATOM 0 HA CYS A 79 5.984 -1.396 -12.537 1.00 52.50 H new ATOM 0 HB2 CYS A 79 3.783 -1.530 -11.269 1.00 44.53 H new ATOM 0 HB3 CYS A 79 4.408 -0.315 -10.172 1.00 44.53 H new ATOM 1215 N GLN A 80 7.094 0.858 -12.076 1.00 60.02 N ATOM 1216 CA GLN A 80 8.023 1.963 -11.874 1.00 14.23 C ATOM 1217 C GLN A 80 7.443 3.267 -12.414 1.00 21.25 C ATOM 1218 O GLN A 80 6.962 3.322 -13.545 1.00 12.41 O ATOM 1219 CB GLN A 80 9.359 1.666 -12.555 1.00 45.04 C ATOM 1220 CG GLN A 80 9.895 2.827 -13.378 1.00 4.23 C ATOM 1221 CD GLN A 80 11.307 2.586 -13.876 1.00 71.11 C ATOM 1222 OE1 GLN A 80 11.485 2.626 -15.191 1.00 12.25 O flip ATOM 1223 NE2 GLN A 80 12.228 2.368 -13.088 1.00 23.31 N flip ATOM 0 H GLN A 80 6.633 0.855 -12.986 1.00 60.02 H new ATOM 0 HA GLN A 80 8.187 2.075 -10.802 1.00 14.23 H new ATOM 0 HB2 GLN A 80 10.094 1.401 -11.795 1.00 45.04 H new ATOM 0 HB3 GLN A 80 9.242 0.797 -13.202 1.00 45.04 H new ATOM 0 HG2 GLN A 80 9.237 2.998 -14.230 1.00 4.23 H new ATOM 0 HG3 GLN A 80 9.876 3.734 -12.774 1.00 4.23 H new ATOM 0 HE21 GLN A 80 12.046 2.346 -12.085 1.00 23.31 H new ATOM 0 HE22 GLN A 80 13.173 2.209 -13.439 1.00 23.31 H new ATOM 1232 N ALA A 81 7.491 4.314 -11.597 1.00 4.14 N ATOM 1233 CA ALA A 81 6.972 5.617 -11.992 1.00 65.12 C ATOM 1234 C ALA A 81 7.978 6.722 -11.693 1.00 44.33 C ATOM 1235 O ALA A 81 8.911 6.532 -10.912 1.00 55.02 O ATOM 1236 CB ALA A 81 5.653 5.896 -11.288 1.00 13.33 C ATOM 0 H ALA A 81 7.885 4.285 -10.656 1.00 4.14 H new ATOM 0 HA ALA A 81 6.800 5.600 -13.068 1.00 65.12 H new ATOM 0 HB1 ALA A 81 5.277 6.873 -11.593 1.00 13.33 H new ATOM 0 HB2 ALA A 81 4.928 5.128 -11.557 1.00 13.33 H new ATOM 0 HB3 ALA A 81 5.807 5.887 -10.209 1.00 13.33 H new ATOM 1242 N MET A 82 7.784 7.878 -12.319 1.00 41.14 N ATOM 1243 CA MET A 82 8.675 9.015 -12.118 1.00 44.10 C ATOM 1244 C MET A 82 7.882 10.280 -11.808 1.00 62.11 C ATOM 1245 O MET A 82 6.996 10.670 -12.568 1.00 44.21 O ATOM 1246 CB MET A 82 9.544 9.235 -13.358 1.00 62.15 C ATOM 1247 CG MET A 82 10.341 10.529 -13.321 1.00 72.30 C ATOM 1248 SD MET A 82 11.936 10.386 -14.150 1.00 53.21 S ATOM 1249 CE MET A 82 12.771 9.218 -13.079 1.00 61.55 C ATOM 0 H MET A 82 7.018 8.052 -12.970 1.00 41.14 H new ATOM 0 HA MET A 82 9.319 8.794 -11.267 1.00 44.10 H new ATOM 0 HB2 MET A 82 10.233 8.397 -13.462 1.00 62.15 H new ATOM 0 HB3 MET A 82 8.907 9.236 -14.242 1.00 62.15 H new ATOM 0 HG2 MET A 82 9.761 11.322 -13.792 1.00 72.30 H new ATOM 0 HG3 MET A 82 10.500 10.824 -12.284 1.00 72.30 H new ATOM 0 HE1 MET A 82 13.849 9.363 -13.153 1.00 61.55 H new ATOM 0 HE2 MET A 82 12.453 9.377 -12.049 1.00 61.55 H new ATOM 0 HE3 MET A 82 12.520 8.202 -13.383 1.00 61.55 H new ATOM 1259 N ASN A 83 8.205 10.917 -10.688 1.00 2.15 N ATOM 1260 CA ASN A 83 7.521 12.138 -10.277 1.00 63.14 C ATOM 1261 C ASN A 83 8.210 13.368 -10.859 1.00 51.43 C ATOM 1262 O ASN A 83 9.285 13.270 -11.451 1.00 73.31 O ATOM 1263 CB ASN A 83 7.481 12.236 -8.751 1.00 55.33 C ATOM 1264 CG ASN A 83 6.303 11.490 -8.154 1.00 73.42 C ATOM 1265 OD1 ASN A 83 5.306 12.095 -7.759 1.00 0.22 O ATOM 1266 ND2 ASN A 83 6.413 10.169 -8.088 1.00 34.52 N ATOM 0 H ASN A 83 8.937 10.608 -10.048 1.00 2.15 H new ATOM 0 HA ASN A 83 6.501 12.100 -10.658 1.00 63.14 H new ATOM 0 HB2 ASN A 83 8.407 11.835 -8.340 1.00 55.33 H new ATOM 0 HB3 ASN A 83 7.429 13.285 -8.458 1.00 55.33 H new ATOM 0 HD21 ASN A 83 5.652 9.613 -7.698 1.00 34.52 H new ATOM 0 HD22 ASN A 83 7.258 9.710 -8.428 1.00 34.52 H new ATOM 1273 N ARG A 84 7.584 14.528 -10.685 1.00 12.31 N ATOM 1274 CA ARG A 84 8.135 15.779 -11.193 1.00 22.31 C ATOM 1275 C ARG A 84 9.357 16.203 -10.383 1.00 72.22 C ATOM 1276 O ARG A 84 10.160 17.018 -10.834 1.00 51.13 O ATOM 1277 CB ARG A 84 7.075 16.882 -11.154 1.00 21.22 C ATOM 1278 CG ARG A 84 6.083 16.814 -12.304 1.00 1.24 C ATOM 1279 CD ARG A 84 5.420 18.161 -12.545 1.00 72.42 C ATOM 1280 NE ARG A 84 4.148 18.026 -13.250 1.00 72.42 N ATOM 1281 CZ ARG A 84 3.338 19.046 -13.507 1.00 33.01 C ATOM 1282 NH1 ARG A 84 3.665 20.271 -13.120 1.00 2.22 N ATOM 1283 NH2 ARG A 84 2.197 18.844 -14.154 1.00 62.42 N ATOM 0 H ARG A 84 6.694 14.627 -10.196 1.00 12.31 H new ATOM 0 HA ARG A 84 8.443 15.618 -12.226 1.00 22.31 H new ATOM 0 HB2 ARG A 84 6.531 16.818 -10.212 1.00 21.22 H new ATOM 0 HB3 ARG A 84 7.572 17.852 -11.170 1.00 21.22 H new ATOM 0 HG2 ARG A 84 6.596 16.492 -13.210 1.00 1.24 H new ATOM 0 HG3 ARG A 84 5.321 16.066 -12.086 1.00 1.24 H new ATOM 0 HD2 ARG A 84 5.254 18.660 -11.590 1.00 72.42 H new ATOM 0 HD3 ARG A 84 6.090 18.796 -13.124 1.00 72.42 H new ATOM 0 HE ARG A 84 3.866 17.097 -13.562 1.00 72.42 H new ATOM 0 HH11 ARG A 84 4.541 20.432 -12.623 1.00 2.22 H new ATOM 0 HH12 ARG A 84 3.040 21.052 -13.319 1.00 2.22 H new ATOM 0 HH21 ARG A 84 1.941 17.904 -14.455 1.00 62.42 H new ATOM 0 HH22 ARG A 84 1.576 19.629 -14.350 1.00 62.42 H new ATOM 1297 N ASN A 85 9.489 15.643 -9.185 1.00 25.31 N ATOM 1298 CA ASN A 85 10.612 15.964 -8.311 1.00 40.05 C ATOM 1299 C ASN A 85 11.897 15.319 -8.820 1.00 45.31 C ATOM 1300 O ASN A 85 12.998 15.744 -8.469 1.00 61.43 O ATOM 1301 CB ASN A 85 10.324 15.498 -6.884 1.00 12.01 C ATOM 1302 CG ASN A 85 9.149 16.228 -6.262 1.00 72.21 C ATOM 1303 OD1 ASN A 85 8.224 15.607 -5.738 1.00 41.42 O ATOM 1304 ND2 ASN A 85 9.180 17.554 -6.320 1.00 42.22 N ATOM 0 H ASN A 85 8.833 14.965 -8.797 1.00 25.31 H new ATOM 0 HA ASN A 85 10.744 17.046 -8.312 1.00 40.05 H new ATOM 0 HB2 ASN A 85 10.121 14.427 -6.889 1.00 12.01 H new ATOM 0 HB3 ASN A 85 11.211 15.652 -6.269 1.00 12.01 H new ATOM 0 HD21 ASN A 85 8.417 18.100 -5.920 1.00 42.22 H new ATOM 0 HD22 ASN A 85 9.967 18.027 -6.764 1.00 42.22 H new ATOM 1311 N GLY A 86 11.750 14.291 -9.650 1.00 25.33 N ATOM 1312 CA GLY A 86 12.907 13.604 -10.193 1.00 11.04 C ATOM 1313 C GLY A 86 13.072 12.208 -9.625 1.00 64.10 C ATOM 1314 O GLY A 86 13.788 11.380 -10.189 1.00 42.21 O ATOM 0 H GLY A 86 10.850 13.922 -9.956 1.00 25.33 H new ATOM 0 HA2 GLY A 86 12.814 13.543 -11.277 1.00 11.04 H new ATOM 0 HA3 GLY A 86 13.804 14.187 -9.983 1.00 11.04 H new ATOM 1318 N LYS A 87 12.409 11.944 -8.504 1.00 43.42 N ATOM 1319 CA LYS A 87 12.486 10.640 -7.858 1.00 32.43 C ATOM 1320 C LYS A 87 11.482 9.669 -8.472 1.00 44.04 C ATOM 1321 O LYS A 87 10.406 10.071 -8.913 1.00 43.25 O ATOM 1322 CB LYS A 87 12.226 10.775 -6.356 1.00 12.32 C ATOM 1323 CG LYS A 87 13.483 11.032 -5.542 1.00 71.00 C ATOM 1324 CD LYS A 87 14.139 12.346 -5.929 1.00 54.11 C ATOM 1325 CE LYS A 87 13.235 13.531 -5.624 1.00 11.23 C ATOM 1326 NZ LYS A 87 14.015 14.781 -5.405 1.00 21.01 N ATOM 0 H LYS A 87 11.812 12.617 -8.024 1.00 43.42 H new ATOM 0 HA LYS A 87 13.490 10.245 -8.013 1.00 32.43 H new ATOM 0 HB2 LYS A 87 11.522 11.590 -6.189 1.00 12.32 H new ATOM 0 HB3 LYS A 87 11.749 9.864 -5.995 1.00 12.32 H new ATOM 0 HG2 LYS A 87 13.234 11.047 -4.481 1.00 71.00 H new ATOM 0 HG3 LYS A 87 14.188 10.214 -5.692 1.00 71.00 H new ATOM 0 HD2 LYS A 87 15.080 12.457 -5.390 1.00 54.11 H new ATOM 0 HD3 LYS A 87 14.380 12.335 -6.992 1.00 54.11 H new ATOM 0 HE2 LYS A 87 12.538 13.678 -6.449 1.00 11.23 H new ATOM 0 HE3 LYS A 87 12.639 13.315 -4.737 1.00 11.23 H new ATOM 0 HZ1 LYS A 87 13.364 15.565 -5.200 1.00 21.01 H new ATOM 0 HZ2 LYS A 87 14.663 14.650 -4.602 1.00 21.01 H new ATOM 0 HZ3 LYS A 87 14.564 15.002 -6.260 1.00 21.01 H new ATOM 1340 N GLU A 88 11.842 8.390 -8.496 1.00 75.44 N ATOM 1341 CA GLU A 88 10.971 7.362 -9.057 1.00 72.31 C ATOM 1342 C GLU A 88 10.303 6.552 -7.950 1.00 14.11 C ATOM 1343 O GLU A 88 10.867 6.369 -6.870 1.00 63.34 O ATOM 1344 CB GLU A 88 11.768 6.432 -9.974 1.00 13.21 C ATOM 1345 CG GLU A 88 12.641 5.440 -9.225 1.00 31.52 C ATOM 1346 CD GLU A 88 13.921 6.065 -8.707 1.00 63.45 C ATOM 1347 OE1 GLU A 88 14.229 7.207 -9.109 1.00 54.44 O ATOM 1348 OE2 GLU A 88 14.617 5.413 -7.900 1.00 62.03 O ATOM 0 H GLU A 88 12.729 8.040 -8.134 1.00 75.44 H new ATOM 0 HA GLU A 88 10.195 7.858 -9.640 1.00 72.31 H new ATOM 0 HB2 GLU A 88 11.075 5.884 -10.612 1.00 13.21 H new ATOM 0 HB3 GLU A 88 12.397 7.034 -10.630 1.00 13.21 H new ATOM 0 HG2 GLU A 88 12.078 5.026 -8.388 1.00 31.52 H new ATOM 0 HG3 GLU A 88 12.888 4.609 -9.885 1.00 31.52 H new ATOM 1355 N THR A 89 9.095 6.069 -8.224 1.00 52.42 N ATOM 1356 CA THR A 89 8.347 5.281 -7.253 1.00 64.43 C ATOM 1357 C THR A 89 8.377 3.799 -7.608 1.00 54.24 C ATOM 1358 O THR A 89 8.158 3.421 -8.760 1.00 1.33 O ATOM 1359 CB THR A 89 6.882 5.746 -7.160 1.00 3.31 C ATOM 1360 OG1 THR A 89 6.727 7.009 -7.817 1.00 33.12 O ATOM 1361 CG2 THR A 89 6.445 5.867 -5.708 1.00 2.43 C ATOM 0 H THR A 89 8.614 6.210 -9.112 1.00 52.42 H new ATOM 0 HA THR A 89 8.829 5.430 -6.287 1.00 64.43 H new ATOM 0 HB THR A 89 6.255 5.002 -7.651 1.00 3.31 H new ATOM 0 HG1 THR A 89 6.694 7.724 -7.148 1.00 33.12 H new ATOM 0 HG21 THR A 89 5.407 6.197 -5.667 1.00 2.43 H new ATOM 0 HG22 THR A 89 6.538 4.898 -5.218 1.00 2.43 H new ATOM 0 HG23 THR A 89 7.077 6.593 -5.197 1.00 2.43 H new ATOM 1369 N LYS A 90 8.648 2.961 -6.613 1.00 40.51 N ATOM 1370 CA LYS A 90 8.703 1.519 -6.819 1.00 5.30 C ATOM 1371 C LYS A 90 7.453 0.842 -6.267 1.00 31.11 C ATOM 1372 O LYS A 90 6.922 1.246 -5.233 1.00 2.33 O ATOM 1373 CB LYS A 90 9.950 0.936 -6.151 1.00 31.35 C ATOM 1374 CG LYS A 90 11.209 1.065 -6.992 1.00 53.13 C ATOM 1375 CD LYS A 90 11.494 2.515 -7.349 1.00 31.40 C ATOM 1376 CE LYS A 90 11.621 3.380 -6.105 1.00 14.31 C ATOM 1377 NZ LYS A 90 12.877 4.181 -6.113 1.00 11.34 N ATOM 0 H LYS A 90 8.833 3.257 -5.655 1.00 40.51 H new ATOM 0 HA LYS A 90 8.751 1.332 -7.892 1.00 5.30 H new ATOM 0 HB2 LYS A 90 10.108 1.438 -5.196 1.00 31.35 H new ATOM 0 HB3 LYS A 90 9.776 -0.118 -5.933 1.00 31.35 H new ATOM 0 HG2 LYS A 90 12.056 0.650 -6.446 1.00 53.13 H new ATOM 0 HG3 LYS A 90 11.100 0.479 -7.905 1.00 53.13 H new ATOM 0 HD2 LYS A 90 12.414 2.574 -7.930 1.00 31.40 H new ATOM 0 HD3 LYS A 90 10.693 2.900 -7.981 1.00 31.40 H new ATOM 0 HE2 LYS A 90 10.763 4.050 -6.039 1.00 14.31 H new ATOM 0 HE3 LYS A 90 11.600 2.747 -5.218 1.00 14.31 H new ATOM 0 HZ1 LYS A 90 13.498 3.860 -5.343 1.00 11.34 H new ATOM 0 HZ2 LYS A 90 13.362 4.056 -7.024 1.00 11.34 H new ATOM 0 HZ3 LYS A 90 12.648 5.186 -5.977 1.00 11.34 H new ATOM 1391 N SER A 91 6.990 -0.192 -6.961 1.00 40.45 N ATOM 1392 CA SER A 91 5.801 -0.924 -6.541 1.00 50.23 C ATOM 1393 C SER A 91 5.932 -2.407 -6.872 1.00 34.34 C ATOM 1394 O SER A 91 6.132 -2.782 -8.027 1.00 22.25 O ATOM 1395 CB SER A 91 4.555 -0.347 -7.217 1.00 31.42 C ATOM 1396 OG SER A 91 4.564 1.070 -7.178 1.00 61.30 O ATOM 0 H SER A 91 7.420 -0.542 -7.817 1.00 40.45 H new ATOM 0 HA SER A 91 5.701 -0.818 -5.461 1.00 50.23 H new ATOM 0 HB2 SER A 91 4.509 -0.685 -8.252 1.00 31.42 H new ATOM 0 HB3 SER A 91 3.661 -0.722 -6.719 1.00 31.42 H new ATOM 0 HG SER A 91 4.391 1.423 -8.076 1.00 61.30 H new ATOM 1402 N ASN A 92 5.816 -3.248 -5.849 1.00 10.35 N ATOM 1403 CA ASN A 92 5.921 -4.691 -6.029 1.00 53.14 C ATOM 1404 C ASN A 92 4.635 -5.389 -5.597 1.00 43.43 C ATOM 1405 O ASN A 92 4.179 -5.229 -4.464 1.00 44.22 O ATOM 1406 CB ASN A 92 7.106 -5.241 -5.232 1.00 12.14 C ATOM 1407 CG ASN A 92 7.465 -6.658 -5.632 1.00 72.51 C ATOM 1408 OD1 ASN A 92 8.496 -6.895 -6.261 1.00 73.04 O ATOM 1409 ND2 ASN A 92 6.613 -7.610 -5.268 1.00 60.11 N ATOM 0 H ASN A 92 5.649 -2.954 -4.887 1.00 10.35 H new ATOM 0 HA ASN A 92 6.082 -4.889 -7.089 1.00 53.14 H new ATOM 0 HB2 ASN A 92 7.971 -4.595 -5.380 1.00 12.14 H new ATOM 0 HB3 ASN A 92 6.868 -5.216 -4.169 1.00 12.14 H new ATOM 0 HD21 ASN A 92 6.802 -8.583 -5.509 1.00 60.11 H new ATOM 0 HD22 ASN A 92 5.770 -7.368 -4.747 1.00 60.11 H new ATOM 1416 N TYR A 93 4.055 -6.164 -6.506 1.00 52.33 N ATOM 1417 CA TYR A 93 2.820 -6.885 -6.220 1.00 55.23 C ATOM 1418 C TYR A 93 2.961 -8.364 -6.566 1.00 32.13 C ATOM 1419 O TYR A 93 3.216 -8.724 -7.715 1.00 43.34 O ATOM 1420 CB TYR A 93 1.656 -6.275 -7.004 1.00 33.03 C ATOM 1421 CG TYR A 93 0.974 -5.134 -6.285 1.00 43.30 C ATOM 1422 CD1 TYR A 93 1.669 -3.974 -5.966 1.00 52.52 C ATOM 1423 CD2 TYR A 93 -0.365 -5.214 -5.924 1.00 23.50 C ATOM 1424 CE1 TYR A 93 1.051 -2.928 -5.309 1.00 14.45 C ATOM 1425 CE2 TYR A 93 -0.993 -4.173 -5.268 1.00 23.25 C ATOM 1426 CZ TYR A 93 -0.280 -3.033 -4.961 1.00 2.21 C ATOM 1427 OH TYR A 93 -0.901 -1.993 -4.307 1.00 43.02 O ATOM 0 H TYR A 93 4.420 -6.309 -7.447 1.00 52.33 H new ATOM 0 HA TYR A 93 2.616 -6.798 -5.153 1.00 55.23 H new ATOM 0 HB2 TYR A 93 2.024 -5.919 -7.966 1.00 33.03 H new ATOM 0 HB3 TYR A 93 0.922 -7.053 -7.212 1.00 33.03 H new ATOM 0 HD1 TYR A 93 2.711 -3.889 -6.237 1.00 52.52 H new ATOM 0 HD2 TYR A 93 -0.925 -6.106 -6.161 1.00 23.50 H new ATOM 0 HE1 TYR A 93 1.606 -2.033 -5.069 1.00 14.45 H new ATOM 0 HE2 TYR A 93 -2.036 -4.251 -4.997 1.00 23.25 H new ATOM 0 HH TYR A 93 -1.023 -2.226 -3.363 1.00 43.02 H new ATOM 1437 N ARG A 94 2.791 -9.218 -5.562 1.00 61.11 N ATOM 1438 CA ARG A 94 2.900 -10.659 -5.758 1.00 21.13 C ATOM 1439 C ARG A 94 1.584 -11.238 -6.268 1.00 31.31 C ATOM 1440 O ARG A 94 0.516 -10.950 -5.729 1.00 73.11 O ATOM 1441 CB ARG A 94 3.298 -11.344 -4.448 1.00 70.44 C ATOM 1442 CG ARG A 94 4.557 -10.771 -3.819 1.00 43.13 C ATOM 1443 CD ARG A 94 4.249 -10.047 -2.518 1.00 51.43 C ATOM 1444 NE ARG A 94 5.317 -10.209 -1.535 1.00 1.20 N ATOM 1445 CZ ARG A 94 5.457 -11.289 -0.775 1.00 32.21 C ATOM 1446 NH1 ARG A 94 4.602 -12.296 -0.884 1.00 35.25 N ATOM 1447 NH2 ARG A 94 6.454 -11.364 0.097 1.00 43.34 N ATOM 0 H ARG A 94 2.577 -8.937 -4.605 1.00 61.11 H new ATOM 0 HA ARG A 94 3.672 -10.843 -6.505 1.00 21.13 H new ATOM 0 HB2 ARG A 94 2.476 -11.257 -3.738 1.00 70.44 H new ATOM 0 HB3 ARG A 94 3.447 -12.408 -4.635 1.00 70.44 H new ATOM 0 HG2 ARG A 94 5.269 -11.575 -3.630 1.00 43.13 H new ATOM 0 HG3 ARG A 94 5.032 -10.082 -4.517 1.00 43.13 H new ATOM 0 HD2 ARG A 94 4.100 -8.986 -2.720 1.00 51.43 H new ATOM 0 HD3 ARG A 94 3.315 -10.427 -2.104 1.00 51.43 H new ATOM 0 HE ARG A 94 5.992 -9.452 -1.426 1.00 1.20 H new ATOM 0 HH11 ARG A 94 3.834 -12.243 -1.553 1.00 35.25 H new ATOM 0 HH12 ARG A 94 4.712 -13.124 -0.299 1.00 35.25 H new ATOM 0 HH21 ARG A 94 7.114 -10.591 0.184 1.00 43.34 H new ATOM 0 HH22 ARG A 94 6.560 -12.194 0.680 1.00 43.34 H new ATOM 1461 N VAL A 95 1.670 -12.058 -7.311 1.00 34.01 N ATOM 1462 CA VAL A 95 0.486 -12.679 -7.894 1.00 52.23 C ATOM 1463 C VAL A 95 0.596 -14.200 -7.872 1.00 43.04 C ATOM 1464 O VAL A 95 1.645 -14.760 -8.192 1.00 73.54 O ATOM 1465 CB VAL A 95 0.264 -12.212 -9.345 1.00 2.44 C ATOM 1466 CG1 VAL A 95 -0.860 -13.005 -9.995 1.00 44.44 C ATOM 1467 CG2 VAL A 95 -0.032 -10.720 -9.385 1.00 33.24 C ATOM 0 H VAL A 95 2.546 -12.308 -7.769 1.00 34.01 H new ATOM 0 HA VAL A 95 -0.365 -12.370 -7.287 1.00 52.23 H new ATOM 0 HB VAL A 95 1.178 -12.393 -9.911 1.00 2.44 H new ATOM 0 HG11 VAL A 95 -1.003 -12.661 -11.020 1.00 44.44 H new ATOM 0 HG12 VAL A 95 -0.602 -14.064 -10.000 1.00 44.44 H new ATOM 0 HG13 VAL A 95 -1.782 -12.859 -9.432 1.00 44.44 H new ATOM 0 HG21 VAL A 95 -0.186 -10.407 -10.418 1.00 33.24 H new ATOM 0 HG22 VAL A 95 -0.931 -10.512 -8.805 1.00 33.24 H new ATOM 0 HG23 VAL A 95 0.809 -10.171 -8.961 1.00 33.24 H new ATOM 1477 N ARG A 96 -0.493 -14.861 -7.495 1.00 5.54 N ATOM 1478 CA ARG A 96 -0.518 -16.317 -7.431 1.00 1.33 C ATOM 1479 C ARG A 96 -1.750 -16.871 -8.142 1.00 65.10 C ATOM 1480 O ARG A 96 -2.869 -16.410 -7.917 1.00 0.04 O ATOM 1481 CB ARG A 96 -0.503 -16.786 -5.974 1.00 13.35 C ATOM 1482 CG ARG A 96 0.582 -17.807 -5.674 1.00 15.33 C ATOM 1483 CD ARG A 96 0.368 -19.092 -6.458 1.00 23.54 C ATOM 1484 NE ARG A 96 1.523 -19.983 -6.372 1.00 74.20 N ATOM 1485 CZ ARG A 96 2.643 -19.802 -7.062 1.00 74.45 C ATOM 1486 NH1 ARG A 96 2.759 -18.769 -7.885 1.00 64.21 N ATOM 1487 NH2 ARG A 96 3.650 -20.657 -6.931 1.00 31.22 N ATOM 0 H ARG A 96 -1.369 -14.412 -7.229 1.00 5.54 H new ATOM 0 HA ARG A 96 0.372 -16.693 -7.935 1.00 1.33 H new ATOM 0 HB2 ARG A 96 -0.366 -15.922 -5.324 1.00 13.35 H new ATOM 0 HB3 ARG A 96 -1.474 -17.218 -5.730 1.00 13.35 H new ATOM 0 HG2 ARG A 96 1.557 -17.387 -5.921 1.00 15.33 H new ATOM 0 HG3 ARG A 96 0.591 -18.028 -4.607 1.00 15.33 H new ATOM 0 HD2 ARG A 96 -0.515 -19.606 -6.079 1.00 23.54 H new ATOM 0 HD3 ARG A 96 0.173 -18.851 -7.503 1.00 23.54 H new ATOM 0 HE ARG A 96 1.466 -20.788 -5.748 1.00 74.20 H new ATOM 0 HH11 ARG A 96 1.987 -18.111 -7.989 1.00 64.21 H new ATOM 0 HH12 ARG A 96 3.620 -18.632 -8.414 1.00 64.21 H new ATOM 0 HH21 ARG A 96 3.564 -21.454 -6.300 1.00 31.22 H new ATOM 0 HH22 ARG A 96 4.510 -20.517 -7.461 1.00 31.22 H new ATOM 1501 N VAL A 97 -1.534 -17.862 -9.001 1.00 54.41 N ATOM 1502 CA VAL A 97 -2.625 -18.480 -9.745 1.00 53.32 C ATOM 1503 C VAL A 97 -3.119 -19.743 -9.050 1.00 10.10 C ATOM 1504 O VAL A 97 -2.660 -20.083 -7.959 1.00 31.02 O ATOM 1505 CB VAL A 97 -2.197 -18.831 -11.182 1.00 33.34 C ATOM 1506 CG1 VAL A 97 -1.572 -17.624 -11.863 1.00 42.22 C ATOM 1507 CG2 VAL A 97 -1.235 -20.009 -11.178 1.00 3.04 C ATOM 0 H VAL A 97 -0.613 -18.254 -9.199 1.00 54.41 H new ATOM 0 HA VAL A 97 -3.434 -17.751 -9.783 1.00 53.32 H new ATOM 0 HB VAL A 97 -3.084 -19.117 -11.747 1.00 33.34 H new ATOM 0 HG11 VAL A 97 -1.276 -17.891 -12.877 1.00 42.22 H new ATOM 0 HG12 VAL A 97 -2.297 -16.811 -11.899 1.00 42.22 H new ATOM 0 HG13 VAL A 97 -0.695 -17.303 -11.302 1.00 42.22 H new ATOM 0 HG21 VAL A 97 -0.943 -20.244 -12.202 1.00 3.04 H new ATOM 0 HG22 VAL A 97 -0.349 -19.753 -10.597 1.00 3.04 H new ATOM 0 HG23 VAL A 97 -1.723 -20.876 -10.732 1.00 3.04 H new ATOM 1517 N TYR A 98 -4.056 -20.436 -9.688 1.00 41.20 N ATOM 1518 CA TYR A 98 -4.614 -21.662 -9.130 1.00 3.04 C ATOM 1519 C TYR A 98 -3.558 -22.761 -9.069 1.00 22.12 C ATOM 1520 O TYR A 98 -2.947 -22.992 -8.026 1.00 25.12 O ATOM 1521 CB TYR A 98 -5.807 -22.130 -9.964 1.00 40.15 C ATOM 1522 CG TYR A 98 -6.338 -23.485 -9.555 1.00 4.13 C ATOM 1523 CD1 TYR A 98 -6.855 -23.693 -8.282 1.00 20.43 C ATOM 1524 CD2 TYR A 98 -6.322 -24.557 -10.439 1.00 2.33 C ATOM 1525 CE1 TYR A 98 -7.341 -24.929 -7.902 1.00 72.01 C ATOM 1526 CE2 TYR A 98 -6.807 -25.795 -10.067 1.00 75.23 C ATOM 1527 CZ TYR A 98 -7.316 -25.977 -8.798 1.00 50.04 C ATOM 1528 OH TYR A 98 -7.799 -27.210 -8.425 1.00 64.31 O ATOM 0 H TYR A 98 -4.445 -20.169 -10.592 1.00 41.20 H new ATOM 0 HA TYR A 98 -4.951 -21.450 -8.115 1.00 3.04 H new ATOM 0 HB2 TYR A 98 -6.608 -21.395 -9.881 1.00 40.15 H new ATOM 0 HB3 TYR A 98 -5.514 -22.166 -11.013 1.00 40.15 H new ATOM 0 HD1 TYR A 98 -6.877 -22.874 -7.578 1.00 20.43 H new ATOM 0 HD2 TYR A 98 -5.924 -24.420 -11.433 1.00 2.33 H new ATOM 0 HE1 TYR A 98 -7.738 -25.074 -6.908 1.00 72.01 H new ATOM 0 HE2 TYR A 98 -6.788 -26.617 -10.767 1.00 75.23 H new ATOM 0 HH TYR A 98 -7.709 -27.837 -9.173 1.00 64.31 H new ATOM 1538 N GLN A 99 -3.350 -23.437 -10.195 1.00 13.30 N ATOM 1539 CA GLN A 99 -2.369 -24.512 -10.270 1.00 14.02 C ATOM 1540 C GLN A 99 -0.962 -23.985 -10.010 1.00 24.33 C ATOM 1541 O GLN A 99 -0.637 -22.853 -10.370 1.00 21.11 O ATOM 1542 CB GLN A 99 -2.427 -25.190 -11.641 1.00 12.33 C ATOM 1543 CG GLN A 99 -1.646 -26.491 -11.711 1.00 4.53 C ATOM 1544 CD GLN A 99 -2.386 -27.652 -11.077 1.00 53.13 C ATOM 1545 OE1 GLN A 99 -2.341 -27.733 -9.753 1.00 75.34 O flip ATOM 1546 NE2 GLN A 99 -2.994 -28.468 -11.771 1.00 64.14 N flip ATOM 0 H GLN A 99 -3.848 -23.259 -11.067 1.00 13.30 H new ATOM 0 HA GLN A 99 -2.611 -25.244 -9.500 1.00 14.02 H new ATOM 0 HB2 GLN A 99 -3.468 -25.387 -11.895 1.00 12.33 H new ATOM 0 HB3 GLN A 99 -2.040 -24.503 -12.393 1.00 12.33 H new ATOM 0 HG2 GLN A 99 -1.433 -26.727 -12.754 1.00 4.53 H new ATOM 0 HG3 GLN A 99 -0.686 -26.361 -11.212 1.00 4.53 H new ATOM 0 HE21 GLN A 99 -3.003 -28.368 -12.786 1.00 64.14 H new ATOM 0 HE22 GLN A 99 -3.489 -29.244 -11.331 1.00 64.14 H new ATOM 1555 N ILE A 100 -0.132 -24.812 -9.383 1.00 31.33 N ATOM 1556 CA ILE A 100 1.240 -24.428 -9.075 1.00 63.25 C ATOM 1557 C ILE A 100 2.236 -25.391 -9.714 1.00 13.11 C ATOM 1558 O ILE A 100 1.906 -26.524 -10.065 1.00 15.33 O ATOM 1559 CB ILE A 100 1.486 -24.387 -7.556 1.00 24.21 C ATOM 1560 CG1 ILE A 100 0.399 -25.172 -6.820 1.00 15.20 C ATOM 1561 CG2 ILE A 100 1.531 -22.947 -7.066 1.00 30.10 C ATOM 1562 CD1 ILE A 100 0.616 -25.250 -5.325 1.00 24.23 C ATOM 0 H ILE A 100 -0.386 -25.752 -9.079 1.00 31.33 H new ATOM 0 HA ILE A 100 1.388 -23.429 -9.485 1.00 63.25 H new ATOM 0 HB ILE A 100 2.449 -24.852 -7.346 1.00 24.21 H new ATOM 0 HG12 ILE A 100 -0.568 -24.708 -7.015 1.00 15.20 H new ATOM 0 HG13 ILE A 100 0.355 -26.183 -7.226 1.00 15.20 H new ATOM 0 HG21 ILE A 100 1.706 -22.934 -5.990 1.00 30.10 H new ATOM 0 HG22 ILE A 100 2.338 -22.416 -7.571 1.00 30.10 H new ATOM 0 HG23 ILE A 100 0.582 -22.458 -7.285 1.00 30.10 H new ATOM 0 HD11 ILE A 100 -0.193 -25.821 -4.869 1.00 24.23 H new ATOM 0 HD12 ILE A 100 1.567 -25.742 -5.121 1.00 24.23 H new ATOM 0 HD13 ILE A 100 0.630 -24.244 -4.906 1.00 24.23 H new ATOM 1574 N PRO A 101 3.486 -24.931 -9.869 1.00 23.30 N ATOM 1575 CA PRO A 101 4.558 -25.736 -10.464 1.00 32.12 C ATOM 1576 C PRO A 101 4.988 -26.888 -9.560 1.00 54.33 C ATOM 1577 O PRO A 101 4.417 -27.096 -8.490 1.00 45.22 O ATOM 1578 CB PRO A 101 5.702 -24.734 -10.634 1.00 32.33 C ATOM 1579 CG PRO A 101 5.446 -23.690 -9.603 1.00 3.50 C ATOM 1580 CD PRO A 101 3.952 -23.591 -9.475 1.00 11.11 C ATOM 0 HA PRO A 101 4.245 -26.207 -11.395 1.00 32.12 H new ATOM 0 HB2 PRO A 101 6.671 -25.210 -10.484 1.00 32.33 H new ATOM 0 HB3 PRO A 101 5.709 -24.307 -11.637 1.00 32.33 H new ATOM 0 HG2 PRO A 101 5.902 -23.962 -8.651 1.00 3.50 H new ATOM 0 HG3 PRO A 101 5.876 -22.734 -9.901 1.00 3.50 H new ATOM 0 HD2 PRO A 101 3.651 -23.344 -8.457 1.00 11.11 H new ATOM 0 HD3 PRO A 101 3.544 -22.817 -10.124 1.00 11.11 H new ATOM 1588 N GLY A 102 5.997 -27.634 -10.000 1.00 14.52 N ATOM 1589 CA GLY A 102 6.486 -28.755 -9.218 1.00 53.24 C ATOM 1590 C GLY A 102 7.526 -28.339 -8.197 1.00 71.30 C ATOM 1591 O GLY A 102 8.693 -28.718 -8.299 1.00 2.20 O ATOM 0 H GLY A 102 6.484 -27.482 -10.883 1.00 14.52 H new ATOM 0 HA2 GLY A 102 5.649 -29.230 -8.707 1.00 53.24 H new ATOM 0 HA3 GLY A 102 6.916 -29.501 -9.887 1.00 53.24 H new ATOM 1595 N LYS A 103 7.104 -27.557 -7.210 1.00 51.33 N ATOM 1596 CA LYS A 103 8.007 -27.089 -6.165 1.00 51.51 C ATOM 1597 C LYS A 103 7.301 -27.047 -4.814 1.00 23.00 C ATOM 1598 O LYS A 103 6.152 -26.621 -4.700 1.00 15.23 O ATOM 1599 CB LYS A 103 8.547 -25.699 -6.513 1.00 53.31 C ATOM 1600 CG LYS A 103 9.392 -25.082 -5.413 1.00 55.45 C ATOM 1601 CD LYS A 103 9.704 -23.623 -5.702 1.00 71.15 C ATOM 1602 CE LYS A 103 10.732 -23.069 -4.727 1.00 1.32 C ATOM 1603 NZ LYS A 103 11.428 -21.872 -5.275 1.00 34.11 N ATOM 0 H LYS A 103 6.142 -27.234 -7.111 1.00 51.33 H new ATOM 0 HA LYS A 103 8.839 -27.790 -6.099 1.00 51.51 H new ATOM 0 HB2 LYS A 103 9.144 -25.768 -7.423 1.00 53.31 H new ATOM 0 HB3 LYS A 103 7.709 -25.037 -6.731 1.00 53.31 H new ATOM 0 HG2 LYS A 103 8.866 -25.161 -4.461 1.00 55.45 H new ATOM 0 HG3 LYS A 103 10.322 -25.641 -5.311 1.00 55.45 H new ATOM 0 HD2 LYS A 103 10.078 -23.525 -6.721 1.00 71.15 H new ATOM 0 HD3 LYS A 103 8.788 -23.035 -5.640 1.00 71.15 H new ATOM 0 HE2 LYS A 103 10.240 -22.806 -3.791 1.00 1.32 H new ATOM 0 HE3 LYS A 103 11.466 -23.841 -4.495 1.00 1.32 H new ATOM 0 HZ1 LYS A 103 12.120 -21.525 -4.581 1.00 34.11 H new ATOM 0 HZ2 LYS A 103 11.919 -22.129 -6.155 1.00 34.11 H new ATOM 0 HZ3 LYS A 103 10.731 -21.125 -5.472 1.00 34.11 H new ATOM 1617 N PRO A 104 8.003 -27.498 -3.765 1.00 2.35 N ATOM 1618 CA PRO A 104 7.464 -27.521 -2.401 1.00 13.30 C ATOM 1619 C PRO A 104 7.304 -26.121 -1.817 1.00 74.42 C ATOM 1620 O PRO A 104 8.134 -25.244 -2.052 1.00 15.03 O ATOM 1621 CB PRO A 104 8.514 -28.311 -1.616 1.00 73.34 C ATOM 1622 CG PRO A 104 9.779 -28.121 -2.380 1.00 74.02 C ATOM 1623 CD PRO A 104 9.379 -28.021 -3.826 1.00 50.21 C ATOM 0 HA PRO A 104 6.467 -27.960 -2.365 1.00 13.30 H new ATOM 0 HB2 PRO A 104 8.608 -27.939 -0.596 1.00 73.34 H new ATOM 0 HB3 PRO A 104 8.247 -29.366 -1.548 1.00 73.34 H new ATOM 0 HG2 PRO A 104 10.299 -27.220 -2.056 1.00 74.02 H new ATOM 0 HG3 PRO A 104 10.460 -28.957 -2.221 1.00 74.02 H new ATOM 0 HD2 PRO A 104 10.038 -27.353 -4.380 1.00 50.21 H new ATOM 0 HD3 PRO A 104 9.418 -28.991 -4.322 1.00 50.21 H new ATOM 1631 N GLU A 105 6.232 -25.921 -1.056 1.00 55.35 N ATOM 1632 CA GLU A 105 5.965 -24.626 -0.441 1.00 35.21 C ATOM 1633 C GLU A 105 5.312 -24.800 0.928 1.00 32.30 C ATOM 1634 O GLU A 105 4.108 -24.601 1.082 1.00 1.04 O ATOM 1635 CB GLU A 105 5.064 -23.782 -1.344 1.00 61.35 C ATOM 1636 CG GLU A 105 5.079 -22.301 -1.007 1.00 61.22 C ATOM 1637 CD GLU A 105 6.193 -21.553 -1.714 1.00 30.42 C ATOM 1638 OE1 GLU A 105 6.033 -21.246 -2.914 1.00 32.13 O ATOM 1639 OE2 GLU A 105 7.225 -21.276 -1.068 1.00 65.33 O ATOM 0 H GLU A 105 5.536 -26.638 -0.851 1.00 55.35 H new ATOM 0 HA GLU A 105 6.917 -24.112 -0.309 1.00 35.21 H new ATOM 0 HB2 GLU A 105 5.377 -23.913 -2.380 1.00 61.35 H new ATOM 0 HB3 GLU A 105 4.041 -24.152 -1.271 1.00 61.35 H new ATOM 0 HG2 GLU A 105 4.120 -21.860 -1.280 1.00 61.22 H new ATOM 0 HG3 GLU A 105 5.191 -22.178 0.070 1.00 61.22 H new TER 1646 GLU A 105 HETATM 1647 N IOR A 201 11.048 -2.289 -5.387 1.00 2.33 N HETATM 1648 CA IOR A 201 10.019 -3.328 -5.486 1.00 45.01 C HETATM 1649 C IOR A 201 10.259 -4.424 -4.488 1.00 4.43 C HETATM 1650 O IOR A 201 11.383 -4.547 -3.989 1.00 10.45 O HETATM 1651 CB IOR A 201 10.132 -4.041 -6.898 1.00 61.43 C HETATM 1652 CG IOR A 201 11.563 -4.506 -7.073 1.00 11.43 C HETATM 1653 CD IOR A 201 12.380 -3.766 -8.013 1.00 73.13 C HETATM 1654 NE IOR A 201 11.706 -3.970 -9.260 1.00 20.12 N HETATM 1655 C1 IOR A 201 11.032 -2.952 -9.806 1.00 14.42 C HETATM 1656 N5 IOR A 201 10.986 -1.715 -9.217 1.00 23.31 N HETATM 1657 N2 IOR A 201 10.288 -2.964 -11.002 1.00 13.14 N HETATM 1658 C4 IOR A 201 9.975 -1.026 -9.906 1.00 5.43 C HETATM 1659 O4 IOR A 201 9.950 0.386 -9.829 1.00 11.20 O HETATM 1660 C3 IOR A 201 9.901 -1.627 -11.285 1.00 55.23 C HETATM 1661 C6 IOR A 201 10.980 -0.991 -12.173 1.00 63.51 C