USER MOD reduce.3.24.130724 H: found=0, std=0, add=933, rem=0, adj=39 USER MOD reduce.3.24.130724 removed 929 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 10 HIS : no HD1:sc= -0.429 X(o=0.68,f=0.65) USER MOD Set 1.2: A 113 SER OG : rot 82:sc= 1.11 USER MOD Set 2.1: A 1 GLY N :NH3+ 177:sc= 0.00898 (180deg=0) USER MOD Set 2.2: A 4 THR OG1 : rot 180:sc= 0.0127 USER MOD Single : A 2 SER OG : rot 53:sc= 0.15 USER MOD Single : A 13 TYR OH : rot 71:sc= 0.345 USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 LYS NZ :NH3+ 152:sc= 0.165 (180deg=0.0194) USER MOD Single : A 18 HIS : no HD1:sc= -0.91 K(o=-0.91,f=-4.2!) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 THR OG1 : rot 180:sc= -0.291 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 29 ASN : amide:sc= -0.113 X(o=-0.11,f=-0.45) USER MOD Single : A 31 SER OG : rot 180:sc= -0.104 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 MET CE :methyl -141:sc= -11.6! (180deg=-18.9!) USER MOD Single : A 40 LYS NZ :NH3+ -160:sc= -2.25 (180deg=-2.91!) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 47 TYR OH : rot 137:sc= 0.043 USER MOD Single : A 48 LYS NZ :NH3+ -128:sc= -0.816 (180deg=-3.58!) USER MOD Single : A 50 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 51 LYS NZ :NH3+ 145:sc= -0.0981 (180deg=-1.53!) USER MOD Single : A 53 TYR OH : rot 70:sc= 2.13 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 SER OG : rot 180:sc= 0.0357 USER MOD Single : A 56 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 60 THR OG1 : rot -164:sc= -1.04 USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 67 TYR OH : rot 117:sc= 0.886 USER MOD Single : A 70 GLN : amide:sc= -0.0996 X(o=-0.1,f=-0.01) USER MOD Single : A 71 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 80 TYR OH : rot 180:sc= 0 USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 82 LYS NZ :NH3+ -106:sc= -0.651 (180deg=-1.81!) USER MOD Single : A 83 LYS NZ :NH3+ 179:sc= 0.446 (180deg=0.445) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 HIS : no HD1:sc= -0.436 X(o=-0.44,f=-0.074) USER MOD Single : A 90 LYS NZ :NH3+ 179:sc= 0.0972 (180deg=0.0967) USER MOD Single : A 93 ASN :FLIP amide:sc= -1.12 F(o=-2.3!,f=-1.1) USER MOD Single : A 100 GLN :FLIP amide:sc= -0.295 F(o=-1.2,f=-0.3) USER MOD Single : A 102 HIS : no HD1:sc= -0.221 X(o=-0.22,f=-0.36) USER MOD Single : A 105 THR OG1 : rot 180:sc= 0 USER MOD Single : A 107 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 108 SER OG : rot -36:sc= 0.657 USER MOD Single : A 109 GLN : amide:sc= -0.192 X(o=-0.19,f=-0.19) USER MOD Single : A 112 THR OG1 : rot 160:sc= -1.62! USER MOD Single : A 115 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0342) USER MOD Single : A 117 GLN : amide:sc= -1.53 X(o=-1.5,f=-1.8!) USER MOD Single : A 118 SER OG : rot 76:sc= 0.676 USER MOD Single : A 120 SER OG : rot 180:sc= 0 USER MOD Single : A 121 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -13.246 17.465 -18.989 1.00 0.00 N ATOM 2 CA GLY A 1 -14.440 18.290 -18.834 1.00 0.00 C ATOM 3 C GLY A 1 -15.587 17.742 -19.652 1.00 0.00 C ATOM 4 O GLY A 1 -15.415 17.275 -20.784 1.00 0.00 O ATOM 0 H1 GLY A 1 -12.459 17.890 -18.458 1.00 0.00 H new ATOM 0 H2 GLY A 1 -13.434 16.510 -18.623 1.00 0.00 H new ATOM 0 H3 GLY A 1 -12.993 17.406 -19.996 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -14.725 18.330 -17.783 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -14.223 19.312 -19.144 1.00 0.00 H new ATOM 10 N SER A 2 -16.775 17.788 -19.078 1.00 0.00 N ATOM 11 CA SER A 2 -17.978 17.264 -19.718 1.00 0.00 C ATOM 12 C SER A 2 -17.752 15.861 -20.229 1.00 0.00 C ATOM 13 O SER A 2 -17.609 15.618 -21.433 1.00 0.00 O ATOM 14 CB SER A 2 -18.460 18.211 -20.845 1.00 0.00 C ATOM 15 OG SER A 2 -17.397 18.967 -21.436 1.00 0.00 O ATOM 0 H SER A 2 -16.938 18.189 -18.154 1.00 0.00 H new ATOM 0 HA SER A 2 -18.769 17.215 -18.969 1.00 0.00 H new ATOM 0 HB2 SER A 2 -18.954 17.623 -21.619 1.00 0.00 H new ATOM 0 HB3 SER A 2 -19.205 18.897 -20.441 1.00 0.00 H new ATOM 0 HG SER A 2 -16.683 18.359 -21.722 1.00 0.00 H new ATOM 21 N GLY A 3 -17.712 14.910 -19.315 1.00 0.00 N ATOM 22 CA GLY A 3 -17.592 13.499 -19.672 1.00 0.00 C ATOM 23 C GLY A 3 -16.169 13.019 -19.504 1.00 0.00 C ATOM 24 O GLY A 3 -15.447 12.758 -20.472 1.00 0.00 O ATOM 0 H GLY A 3 -17.761 15.086 -18.311 1.00 0.00 H new ATOM 0 HA2 GLY A 3 -18.257 12.904 -19.046 1.00 0.00 H new ATOM 0 HA3 GLY A 3 -17.910 13.353 -20.704 1.00 0.00 H new ATOM 28 N THR A 4 -15.736 12.917 -18.261 1.00 0.00 N ATOM 29 CA THR A 4 -14.417 12.379 -17.942 1.00 0.00 C ATOM 30 C THR A 4 -14.534 11.082 -17.175 1.00 0.00 C ATOM 31 O THR A 4 -14.990 11.044 -16.027 1.00 0.00 O ATOM 32 CB THR A 4 -13.577 13.428 -17.138 1.00 0.00 C ATOM 33 OG1 THR A 4 -12.902 14.310 -18.025 1.00 0.00 O ATOM 34 CG2 THR A 4 -12.462 12.862 -16.232 1.00 0.00 C ATOM 0 H THR A 4 -16.280 13.201 -17.446 1.00 0.00 H new ATOM 0 HA THR A 4 -13.899 12.169 -18.878 1.00 0.00 H new ATOM 0 HB THR A 4 -14.331 13.903 -16.510 1.00 0.00 H new ATOM 0 HG1 THR A 4 -12.383 14.960 -17.507 1.00 0.00 H new ATOM 0 HG21 THR A 4 -11.951 13.682 -15.728 1.00 0.00 H new ATOM 0 HG22 THR A 4 -12.900 12.196 -15.489 1.00 0.00 H new ATOM 0 HG23 THR A 4 -11.746 12.307 -16.839 1.00 0.00 H new ATOM 42 N GLY A 5 -14.105 9.999 -17.794 1.00 0.00 N ATOM 43 CA GLY A 5 -14.259 8.666 -17.217 1.00 0.00 C ATOM 44 C GLY A 5 -13.066 8.306 -16.363 1.00 0.00 C ATOM 45 O GLY A 5 -12.108 7.667 -16.812 1.00 0.00 O ATOM 0 H GLY A 5 -13.643 10.011 -18.703 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -15.167 8.629 -16.615 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -14.375 7.932 -18.014 1.00 0.00 H new ATOM 49 N ALA A 6 -13.109 8.709 -15.106 1.00 0.00 N ATOM 50 CA ALA A 6 -12.089 8.320 -14.136 1.00 0.00 C ATOM 51 C ALA A 6 -12.433 6.999 -13.490 1.00 0.00 C ATOM 52 O ALA A 6 -11.614 6.077 -13.410 1.00 0.00 O ATOM 53 CB ALA A 6 -11.954 9.465 -13.117 1.00 0.00 C ATOM 0 H ALA A 6 -13.842 9.309 -14.727 1.00 0.00 H new ATOM 0 HA ALA A 6 -11.127 8.164 -14.624 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -11.198 9.206 -12.376 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -11.658 10.378 -13.633 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -12.910 9.623 -12.619 1.00 0.00 H new ATOM 59 N GLY A 7 -13.653 6.897 -12.996 1.00 0.00 N ATOM 60 CA GLY A 7 -14.132 5.671 -12.366 1.00 0.00 C ATOM 61 C GLY A 7 -13.577 5.523 -10.969 1.00 0.00 C ATOM 62 O GLY A 7 -14.078 6.108 -10.002 1.00 0.00 O ATOM 0 H GLY A 7 -14.338 7.652 -13.017 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -15.221 5.680 -12.329 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -13.841 4.811 -12.969 1.00 0.00 H new ATOM 66 N GLU A 8 -12.514 4.751 -10.848 1.00 0.00 N ATOM 67 CA GLU A 8 -11.954 4.396 -9.547 1.00 0.00 C ATOM 68 C GLU A 8 -10.534 4.920 -9.413 1.00 0.00 C ATOM 69 O GLU A 8 -10.279 6.086 -9.785 1.00 0.00 O ATOM 70 CB GLU A 8 -12.048 2.849 -9.398 1.00 0.00 C ATOM 71 CG GLU A 8 -13.353 2.154 -9.907 1.00 0.00 C ATOM 72 CD GLU A 8 -13.265 1.262 -11.148 1.00 0.00 C ATOM 73 OE1 GLU A 8 -12.067 0.628 -11.284 1.00 0.00 O ATOM 74 OE2 GLU A 8 -14.188 1.132 -11.941 1.00 0.00 O ATOM 0 H GLU A 8 -12.012 4.351 -11.641 1.00 0.00 H new ATOM 0 HA GLU A 8 -12.516 4.861 -8.737 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -11.203 2.408 -9.927 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -11.926 2.604 -8.343 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -13.747 1.549 -9.090 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -14.087 2.934 -10.110 1.00 0.00 H new ATOM 81 N GLY A 9 -9.616 4.137 -8.876 1.00 0.00 N ATOM 82 CA GLY A 9 -8.220 4.544 -8.854 1.00 0.00 C ATOM 83 C GLY A 9 -7.630 4.922 -10.206 1.00 0.00 C ATOM 84 O GLY A 9 -8.289 5.110 -11.232 1.00 0.00 O ATOM 0 H GLY A 9 -9.806 3.228 -8.454 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -8.118 5.395 -8.181 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -7.628 3.731 -8.433 1.00 0.00 H new ATOM 88 N HIS A 10 -6.307 5.011 -10.211 1.00 0.00 N ATOM 89 CA HIS A 10 -5.523 5.509 -11.336 1.00 0.00 C ATOM 90 C HIS A 10 -4.788 4.363 -11.998 1.00 0.00 C ATOM 91 O HIS A 10 -4.531 3.324 -11.341 1.00 0.00 O ATOM 92 CB HIS A 10 -4.539 6.551 -10.767 1.00 0.00 C ATOM 93 CG HIS A 10 -4.428 7.759 -11.657 1.00 0.00 C ATOM 94 ND1 HIS A 10 -5.455 8.306 -12.422 1.00 0.00 N ATOM 95 CD2 HIS A 10 -3.245 8.468 -11.812 1.00 0.00 C ATOM 96 CE1 HIS A 10 -4.792 9.325 -13.001 1.00 0.00 C ATOM 97 NE2 HIS A 10 -3.478 9.495 -12.690 1.00 0.00 N ATOM 0 H HIS A 10 -5.734 4.733 -9.414 1.00 0.00 H new ATOM 0 HA HIS A 10 -6.157 5.966 -12.096 1.00 0.00 H new ATOM 0 HB2 HIS A 10 -4.870 6.859 -9.775 1.00 0.00 H new ATOM 0 HB3 HIS A 10 -3.556 6.096 -10.648 1.00 0.00 H new ATOM 0 HD2 HIS A 10 -2.306 8.249 -11.326 1.00 0.00 H new ATOM 0 HE1 HIS A 10 -5.289 9.989 -13.693 1.00 0.00 H new ATOM 0 HE2 HIS A 10 -2.830 10.207 -13.026 1.00 0.00 H new ATOM 105 N GLU A 11 -4.444 4.460 -13.268 1.00 0.00 N ATOM 106 CA GLU A 11 -3.868 3.322 -13.993 1.00 0.00 C ATOM 107 C GLU A 11 -2.683 3.724 -14.840 1.00 0.00 C ATOM 108 O GLU A 11 -2.677 4.741 -15.540 1.00 0.00 O ATOM 109 CB GLU A 11 -4.987 2.688 -14.865 1.00 0.00 C ATOM 110 CG GLU A 11 -6.074 3.648 -15.450 1.00 0.00 C ATOM 111 CD GLU A 11 -6.495 3.467 -16.910 1.00 0.00 C ATOM 112 OE1 GLU A 11 -5.721 4.153 -17.796 1.00 0.00 O ATOM 113 OE2 GLU A 11 -7.442 2.768 -17.247 1.00 0.00 O ATOM 0 H GLU A 11 -4.549 5.308 -13.825 1.00 0.00 H new ATOM 0 HA GLU A 11 -3.491 2.595 -13.273 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -4.512 2.170 -15.698 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -5.493 1.931 -14.266 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -6.967 3.553 -14.833 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -5.712 4.670 -15.333 1.00 0.00 H new ATOM 120 N GLY A 12 -1.637 2.911 -14.767 1.00 0.00 N ATOM 121 CA GLY A 12 -0.387 3.208 -15.457 1.00 0.00 C ATOM 122 C GLY A 12 0.462 1.971 -15.627 1.00 0.00 C ATOM 123 O GLY A 12 0.360 0.990 -14.881 1.00 0.00 O ATOM 0 H GLY A 12 -1.629 2.040 -14.237 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -0.604 3.638 -16.435 1.00 0.00 H new ATOM 0 HA3 GLY A 12 0.170 3.958 -14.895 1.00 0.00 H new ATOM 127 N TYR A 13 1.307 1.993 -16.643 1.00 0.00 N ATOM 128 CA TYR A 13 2.311 0.956 -16.858 1.00 0.00 C ATOM 129 C TYR A 13 3.642 1.382 -16.285 1.00 0.00 C ATOM 130 O TYR A 13 4.374 2.185 -16.887 1.00 0.00 O ATOM 131 CB TYR A 13 2.524 0.681 -18.376 1.00 0.00 C ATOM 132 CG TYR A 13 3.171 -0.651 -18.775 1.00 0.00 C ATOM 133 CD1 TYR A 13 3.369 -1.664 -17.833 1.00 0.00 C ATOM 134 CD2 TYR A 13 3.579 -0.851 -20.099 1.00 0.00 C ATOM 135 CE1 TYR A 13 3.966 -2.865 -18.212 1.00 0.00 C ATOM 136 CE2 TYR A 13 4.155 -2.060 -20.479 1.00 0.00 C ATOM 137 CZ TYR A 13 4.352 -3.064 -19.535 1.00 0.00 C ATOM 138 OH TYR A 13 4.928 -4.246 -19.905 1.00 0.00 O ATOM 0 H TYR A 13 1.319 2.731 -17.347 1.00 0.00 H new ATOM 0 HA TYR A 13 1.947 0.055 -16.364 1.00 0.00 H new ATOM 0 HB2 TYR A 13 1.553 0.743 -18.868 1.00 0.00 H new ATOM 0 HB3 TYR A 13 3.138 1.486 -18.780 1.00 0.00 H new ATOM 0 HD1 TYR A 13 3.059 -1.516 -16.809 1.00 0.00 H new ATOM 0 HD2 TYR A 13 3.447 -0.065 -20.828 1.00 0.00 H new ATOM 0 HE1 TYR A 13 4.129 -3.642 -17.479 1.00 0.00 H new ATOM 0 HE2 TYR A 13 4.449 -2.219 -21.506 1.00 0.00 H new ATOM 0 HH TYR A 13 4.252 -4.956 -19.896 1.00 0.00 H new ATOM 148 N VAL A 14 4.000 0.843 -15.133 1.00 0.00 N ATOM 149 CA VAL A 14 5.196 1.305 -14.425 1.00 0.00 C ATOM 150 C VAL A 14 5.763 0.254 -13.497 1.00 0.00 C ATOM 151 O VAL A 14 5.459 -0.939 -13.575 1.00 0.00 O ATOM 152 CB VAL A 14 4.867 2.610 -13.597 1.00 0.00 C ATOM 153 CG1 VAL A 14 3.940 3.652 -14.281 1.00 0.00 C ATOM 154 CG2 VAL A 14 4.221 2.328 -12.218 1.00 0.00 C ATOM 0 H VAL A 14 3.491 0.093 -14.666 1.00 0.00 H new ATOM 0 HA VAL A 14 5.949 1.519 -15.183 1.00 0.00 H new ATOM 0 HB VAL A 14 5.869 3.029 -13.505 1.00 0.00 H new ATOM 0 HG11 VAL A 14 3.790 4.500 -13.613 1.00 0.00 H new ATOM 0 HG12 VAL A 14 4.401 3.996 -15.207 1.00 0.00 H new ATOM 0 HG13 VAL A 14 2.977 3.192 -14.504 1.00 0.00 H new ATOM 0 HG21 VAL A 14 4.024 3.271 -11.709 1.00 0.00 H new ATOM 0 HG22 VAL A 14 3.284 1.789 -12.359 1.00 0.00 H new ATOM 0 HG23 VAL A 14 4.900 1.725 -11.615 1.00 0.00 H new ATOM 164 N THR A 15 6.596 0.725 -12.572 1.00 0.00 N ATOM 165 CA THR A 15 7.147 -0.143 -11.534 1.00 0.00 C ATOM 166 C THR A 15 6.474 0.084 -10.198 1.00 0.00 C ATOM 167 O THR A 15 6.747 1.045 -9.472 1.00 0.00 O ATOM 168 CB THR A 15 8.695 0.066 -11.415 1.00 0.00 C ATOM 169 OG1 THR A 15 9.267 0.285 -12.699 1.00 0.00 O ATOM 170 CG2 THR A 15 9.501 -1.112 -10.828 1.00 0.00 C ATOM 0 H THR A 15 6.903 1.696 -12.520 1.00 0.00 H new ATOM 0 HA THR A 15 6.952 -1.175 -11.826 1.00 0.00 H new ATOM 0 HB THR A 15 8.768 0.913 -10.733 1.00 0.00 H new ATOM 0 HG1 THR A 15 10.234 0.416 -12.608 1.00 0.00 H new ATOM 0 HG21 THR A 15 10.558 -0.849 -10.796 1.00 0.00 H new ATOM 0 HG22 THR A 15 9.149 -1.326 -9.819 1.00 0.00 H new ATOM 0 HG23 THR A 15 9.365 -1.994 -11.454 1.00 0.00 H new ATOM 178 N ARG A 16 5.590 -0.831 -9.844 1.00 0.00 N ATOM 179 CA ARG A 16 4.927 -0.845 -8.543 1.00 0.00 C ATOM 180 C ARG A 16 5.261 -2.113 -7.790 1.00 0.00 C ATOM 181 O ARG A 16 5.630 -3.133 -8.408 1.00 0.00 O ATOM 182 CB ARG A 16 3.395 -0.697 -8.757 1.00 0.00 C ATOM 183 CG ARG A 16 2.998 0.108 -10.026 1.00 0.00 C ATOM 184 CD ARG A 16 1.561 0.642 -9.961 1.00 0.00 C ATOM 185 NE ARG A 16 1.599 2.104 -10.220 1.00 0.00 N ATOM 186 CZ ARG A 16 0.967 3.039 -9.525 1.00 0.00 C ATOM 187 NH1 ARG A 16 0.133 2.797 -8.558 1.00 0.00 N ATOM 188 NH2 ARG A 16 1.203 4.266 -9.832 1.00 0.00 N ATOM 0 H ARG A 16 5.306 -1.596 -10.456 1.00 0.00 H new ATOM 0 HA ARG A 16 5.281 -0.010 -7.939 1.00 0.00 H new ATOM 0 HB2 ARG A 16 2.952 -1.691 -8.819 1.00 0.00 H new ATOM 0 HB3 ARG A 16 2.964 -0.209 -7.883 1.00 0.00 H new ATOM 0 HG2 ARG A 16 3.687 0.943 -10.152 1.00 0.00 H new ATOM 0 HG3 ARG A 16 3.106 -0.529 -10.904 1.00 0.00 H new ATOM 0 HD2 ARG A 16 0.935 0.141 -10.699 1.00 0.00 H new ATOM 0 HD3 ARG A 16 1.124 0.440 -8.983 1.00 0.00 H new ATOM 0 HE ARG A 16 2.165 2.418 -11.008 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -0.072 1.834 -8.290 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -0.317 3.570 -8.067 1.00 0.00 H new ATOM 0 HH21 ARG A 16 1.855 4.487 -10.585 1.00 0.00 H new ATOM 0 HH22 ARG A 16 0.738 5.018 -9.323 1.00 0.00 H new ATOM 202 N LYS A 17 5.135 -2.118 -6.477 1.00 0.00 N ATOM 203 CA LYS A 17 5.304 -3.343 -5.692 1.00 0.00 C ATOM 204 C LYS A 17 4.020 -3.710 -4.979 1.00 0.00 C ATOM 205 O LYS A 17 3.830 -3.544 -3.770 1.00 0.00 O ATOM 206 CB LYS A 17 6.485 -3.163 -4.699 1.00 0.00 C ATOM 207 CG LYS A 17 6.201 -2.273 -3.464 1.00 0.00 C ATOM 208 CD LYS A 17 6.227 -3.011 -2.121 1.00 0.00 C ATOM 209 CE LYS A 17 7.459 -2.566 -1.321 1.00 0.00 C ATOM 210 NZ LYS A 17 8.168 -3.754 -0.812 1.00 0.00 N ATOM 0 H LYS A 17 4.916 -1.290 -5.923 1.00 0.00 H new ATOM 0 HA LYS A 17 5.541 -4.170 -6.361 1.00 0.00 H new ATOM 0 HB2 LYS A 17 6.794 -4.148 -4.349 1.00 0.00 H new ATOM 0 HB3 LYS A 17 7.329 -2.739 -5.242 1.00 0.00 H new ATOM 0 HG2 LYS A 17 6.937 -1.470 -3.436 1.00 0.00 H new ATOM 0 HG3 LYS A 17 5.224 -1.806 -3.587 1.00 0.00 H new ATOM 0 HD2 LYS A 17 5.318 -2.798 -1.559 1.00 0.00 H new ATOM 0 HD3 LYS A 17 6.256 -4.088 -2.285 1.00 0.00 H new ATOM 0 HE2 LYS A 17 8.123 -1.976 -1.953 1.00 0.00 H new ATOM 0 HE3 LYS A 17 7.156 -1.927 -0.492 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 9.179 -3.535 -0.703 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 7.771 -4.027 0.110 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 8.055 -4.540 -1.484 1.00 0.00 H new ATOM 224 N HIS A 18 3.089 -4.263 -5.749 1.00 0.00 N ATOM 225 CA HIS A 18 1.761 -4.588 -5.239 1.00 0.00 C ATOM 226 C HIS A 18 1.841 -5.570 -4.090 1.00 0.00 C ATOM 227 O HIS A 18 2.804 -6.329 -3.950 1.00 0.00 O ATOM 228 CB HIS A 18 0.987 -5.204 -6.416 1.00 0.00 C ATOM 229 CG HIS A 18 1.447 -6.594 -6.744 1.00 0.00 C ATOM 230 ND1 HIS A 18 1.019 -7.763 -6.118 1.00 0.00 N ATOM 231 CD2 HIS A 18 2.374 -6.862 -7.742 1.00 0.00 C ATOM 232 CE1 HIS A 18 1.737 -8.669 -6.809 1.00 0.00 C ATOM 233 NE2 HIS A 18 2.568 -8.218 -7.788 1.00 0.00 N ATOM 0 H HIS A 18 3.230 -4.496 -6.732 1.00 0.00 H new ATOM 0 HA HIS A 18 1.265 -3.696 -4.855 1.00 0.00 H new ATOM 0 HB2 HIS A 18 -0.076 -5.224 -6.176 1.00 0.00 H new ATOM 0 HB3 HIS A 18 1.104 -4.570 -7.295 1.00 0.00 H new ATOM 0 HD2 HIS A 18 2.858 -6.130 -8.372 1.00 0.00 H new ATOM 0 HE1 HIS A 18 1.656 -9.724 -6.592 1.00 0.00 H new ATOM 0 HE2 HIS A 18 3.181 -8.754 -8.402 1.00 0.00 H new ATOM 241 N GLU A 19 0.812 -5.579 -3.269 1.00 0.00 N ATOM 242 CA GLU A 19 0.666 -6.375 -2.047 1.00 0.00 C ATOM 243 C GLU A 19 1.736 -7.431 -1.862 1.00 0.00 C ATOM 244 O GLU A 19 1.814 -8.420 -2.599 1.00 0.00 O ATOM 245 CB GLU A 19 -0.743 -7.041 -2.096 1.00 0.00 C ATOM 246 CG GLU A 19 -1.229 -7.571 -3.485 1.00 0.00 C ATOM 247 CD GLU A 19 -1.527 -9.066 -3.631 1.00 0.00 C ATOM 248 OE1 GLU A 19 -0.437 -9.814 -3.956 1.00 0.00 O ATOM 249 OE2 GLU A 19 -2.644 -9.540 -3.469 1.00 0.00 O ATOM 0 H GLU A 19 -0.006 -4.994 -3.441 1.00 0.00 H new ATOM 0 HA GLU A 19 0.778 -5.707 -1.193 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -0.748 -7.875 -1.394 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -1.473 -6.316 -1.735 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -2.134 -7.025 -3.750 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -0.471 -7.310 -4.224 1.00 0.00 H new ATOM 256 N TRP A 20 2.564 -7.249 -0.849 1.00 0.00 N ATOM 257 CA TRP A 20 3.628 -8.188 -0.510 1.00 0.00 C ATOM 258 C TRP A 20 3.098 -9.331 0.324 1.00 0.00 C ATOM 259 O TRP A 20 3.129 -9.301 1.562 1.00 0.00 O ATOM 260 CB TRP A 20 4.739 -7.433 0.272 1.00 0.00 C ATOM 261 CG TRP A 20 6.122 -7.419 -0.390 1.00 0.00 C ATOM 262 CD1 TRP A 20 7.333 -7.800 0.226 1.00 0.00 C ATOM 263 CD2 TRP A 20 6.465 -6.957 -1.643 1.00 0.00 C ATOM 264 NE1 TRP A 20 8.437 -7.581 -0.620 1.00 0.00 N ATOM 265 CE2 TRP A 20 7.873 -7.060 -1.774 1.00 0.00 C ATOM 266 CE3 TRP A 20 5.680 -6.421 -2.696 1.00 0.00 C ATOM 267 CZ2 TRP A 20 8.501 -6.650 -2.971 1.00 0.00 C ATOM 268 CZ3 TRP A 20 6.314 -6.099 -3.896 1.00 0.00 C ATOM 269 CH2 TRP A 20 7.705 -6.216 -4.034 1.00 0.00 C ATOM 0 H TRP A 20 2.520 -6.439 -0.231 1.00 0.00 H new ATOM 0 HA TRP A 20 4.037 -8.605 -1.430 1.00 0.00 H new ATOM 0 HB2 TRP A 20 4.417 -6.402 0.421 1.00 0.00 H new ATOM 0 HB3 TRP A 20 4.833 -7.884 1.260 1.00 0.00 H new ATOM 0 HD1 TRP A 20 7.404 -8.209 1.223 1.00 0.00 H new ATOM 0 HE1 TRP A 20 9.422 -7.763 -0.428 1.00 0.00 H new ATOM 0 HE3 TRP A 20 4.618 -6.266 -2.572 1.00 0.00 H new ATOM 0 HZ2 TRP A 20 9.577 -6.672 -3.063 1.00 0.00 H new ATOM 0 HZ3 TRP A 20 5.724 -5.754 -4.732 1.00 0.00 H new ATOM 0 HH2 TRP A 20 8.168 -5.967 -4.977 1.00 0.00 H new ATOM 280 N ASP A 21 2.579 -10.355 -0.329 1.00 0.00 N ATOM 281 CA ASP A 21 2.162 -11.579 0.352 1.00 0.00 C ATOM 282 C ASP A 21 1.841 -12.674 -0.640 1.00 0.00 C ATOM 283 O ASP A 21 1.533 -12.423 -1.810 1.00 0.00 O ATOM 284 CB ASP A 21 0.963 -11.295 1.295 1.00 0.00 C ATOM 285 CG ASP A 21 0.480 -12.468 2.163 1.00 0.00 C ATOM 286 OD1 ASP A 21 1.276 -12.686 3.253 1.00 0.00 O ATOM 287 OD2 ASP A 21 -0.503 -13.139 1.886 1.00 0.00 O ATOM 0 H ASP A 21 2.433 -10.368 -1.338 1.00 0.00 H new ATOM 0 HA ASP A 21 2.993 -11.931 0.963 1.00 0.00 H new ATOM 0 HB2 ASP A 21 1.236 -10.472 1.955 1.00 0.00 H new ATOM 0 HB3 ASP A 21 0.125 -10.952 0.688 1.00 0.00 H new ATOM 292 N SER A 22 1.891 -13.907 -0.170 1.00 0.00 N ATOM 293 CA SER A 22 1.474 -15.072 -0.944 1.00 0.00 C ATOM 294 C SER A 22 2.427 -15.350 -2.086 1.00 0.00 C ATOM 295 O SER A 22 3.018 -14.454 -2.696 1.00 0.00 O ATOM 296 CB SER A 22 0.016 -14.908 -1.446 1.00 0.00 C ATOM 297 OG SER A 22 -0.944 -15.500 -0.562 1.00 0.00 O ATOM 0 H SER A 22 2.224 -14.135 0.767 1.00 0.00 H new ATOM 0 HA SER A 22 1.504 -15.939 -0.284 1.00 0.00 H new ATOM 0 HB2 SER A 22 -0.207 -13.847 -1.560 1.00 0.00 H new ATOM 0 HB3 SER A 22 -0.077 -15.361 -2.433 1.00 0.00 H new ATOM 0 HG SER A 22 -1.846 -15.368 -0.922 1.00 0.00 H new ATOM 303 N THR A 23 2.589 -16.628 -2.390 1.00 0.00 N ATOM 304 CA THR A 23 3.498 -17.084 -3.437 1.00 0.00 C ATOM 305 C THR A 23 4.862 -16.451 -3.282 1.00 0.00 C ATOM 306 O THR A 23 5.394 -15.804 -4.191 1.00 0.00 O ATOM 307 CB THR A 23 2.900 -16.784 -4.853 1.00 0.00 C ATOM 308 OG1 THR A 23 1.490 -16.623 -4.774 1.00 0.00 O ATOM 309 CG2 THR A 23 3.105 -17.873 -5.928 1.00 0.00 C ATOM 0 H THR A 23 2.093 -17.384 -1.917 1.00 0.00 H new ATOM 0 HA THR A 23 3.618 -18.163 -3.338 1.00 0.00 H new ATOM 0 HB THR A 23 3.445 -15.889 -5.154 1.00 0.00 H new ATOM 0 HG1 THR A 23 1.132 -16.434 -5.666 1.00 0.00 H new ATOM 0 HG21 THR A 23 2.648 -17.551 -6.864 1.00 0.00 H new ATOM 0 HG22 THR A 23 4.172 -18.036 -6.082 1.00 0.00 H new ATOM 0 HG23 THR A 23 2.640 -18.802 -5.598 1.00 0.00 H new ATOM 317 N THR A 24 5.459 -16.645 -2.120 1.00 0.00 N ATOM 318 CA THR A 24 6.813 -16.168 -1.854 1.00 0.00 C ATOM 319 C THR A 24 7.397 -16.850 -0.639 1.00 0.00 C ATOM 320 O THR A 24 6.794 -16.885 0.440 1.00 0.00 O ATOM 321 CB THR A 24 6.824 -14.612 -1.677 1.00 0.00 C ATOM 322 OG1 THR A 24 5.498 -14.099 -1.698 1.00 0.00 O ATOM 323 CG2 THR A 24 7.568 -13.805 -2.762 1.00 0.00 C ATOM 0 H THR A 24 5.027 -17.134 -1.336 1.00 0.00 H new ATOM 0 HA THR A 24 7.436 -16.420 -2.712 1.00 0.00 H new ATOM 0 HB THR A 24 7.346 -14.487 -0.729 1.00 0.00 H new ATOM 0 HG1 THR A 24 5.522 -13.126 -1.585 1.00 0.00 H new ATOM 0 HG21 THR A 24 7.506 -12.742 -2.531 1.00 0.00 H new ATOM 0 HG22 THR A 24 8.614 -14.110 -2.789 1.00 0.00 H new ATOM 0 HG23 THR A 24 7.110 -13.992 -3.733 1.00 0.00 H new ATOM 331 N LYS A 25 8.575 -17.424 -0.801 1.00 0.00 N ATOM 332 CA LYS A 25 9.296 -18.030 0.315 1.00 0.00 C ATOM 333 C LYS A 25 10.753 -17.628 0.312 1.00 0.00 C ATOM 334 O LYS A 25 11.638 -18.394 0.719 1.00 0.00 O ATOM 335 CB LYS A 25 9.150 -19.576 0.244 1.00 0.00 C ATOM 336 CG LYS A 25 7.761 -20.044 -0.258 1.00 0.00 C ATOM 337 CD LYS A 25 6.878 -20.701 0.806 1.00 0.00 C ATOM 338 CE LYS A 25 7.294 -22.169 0.974 1.00 0.00 C ATOM 339 NZ LYS A 25 6.178 -23.044 0.574 1.00 0.00 N ATOM 0 H LYS A 25 9.059 -17.486 -1.697 1.00 0.00 H new ATOM 0 HA LYS A 25 8.863 -17.670 1.248 1.00 0.00 H new ATOM 0 HB2 LYS A 25 9.920 -19.976 -0.416 1.00 0.00 H new ATOM 0 HB3 LYS A 25 9.330 -19.996 1.234 1.00 0.00 H new ATOM 0 HG2 LYS A 25 7.231 -19.185 -0.669 1.00 0.00 H new ATOM 0 HG3 LYS A 25 7.906 -20.750 -1.076 1.00 0.00 H new ATOM 0 HD2 LYS A 25 6.977 -20.172 1.754 1.00 0.00 H new ATOM 0 HD3 LYS A 25 5.830 -20.639 0.514 1.00 0.00 H new ATOM 0 HE2 LYS A 25 8.173 -22.381 0.365 1.00 0.00 H new ATOM 0 HE3 LYS A 25 7.570 -22.364 2.010 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 6.459 -24.039 0.688 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 5.351 -22.847 1.173 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 5.935 -22.864 -0.421 1.00 0.00 H new ATOM 353 N LYS A 26 11.034 -16.413 -0.123 1.00 0.00 N ATOM 354 CA LYS A 26 12.392 -15.877 -0.084 1.00 0.00 C ATOM 355 C LYS A 26 13.358 -16.800 -0.788 1.00 0.00 C ATOM 356 O LYS A 26 14.330 -17.299 -0.209 1.00 0.00 O ATOM 357 CB LYS A 26 12.817 -15.652 1.393 1.00 0.00 C ATOM 358 CG LYS A 26 12.012 -14.535 2.103 1.00 0.00 C ATOM 359 CD LYS A 26 12.438 -13.108 1.749 1.00 0.00 C ATOM 360 CE LYS A 26 13.624 -12.699 2.634 1.00 0.00 C ATOM 361 NZ LYS A 26 14.137 -11.391 2.190 1.00 0.00 N ATOM 0 H LYS A 26 10.340 -15.773 -0.510 1.00 0.00 H new ATOM 0 HA LYS A 26 12.411 -14.922 -0.609 1.00 0.00 H new ATOM 0 HB2 LYS A 26 12.694 -16.584 1.944 1.00 0.00 H new ATOM 0 HB3 LYS A 26 13.877 -15.401 1.424 1.00 0.00 H new ATOM 0 HG2 LYS A 26 10.957 -14.655 1.857 1.00 0.00 H new ATOM 0 HG3 LYS A 26 12.105 -14.669 3.181 1.00 0.00 H new ATOM 0 HD2 LYS A 26 12.717 -13.050 0.697 1.00 0.00 H new ATOM 0 HD3 LYS A 26 11.605 -12.420 1.896 1.00 0.00 H new ATOM 0 HE2 LYS A 26 13.312 -12.645 3.677 1.00 0.00 H new ATOM 0 HE3 LYS A 26 14.412 -13.450 2.575 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 14.941 -11.112 2.788 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 14.449 -11.458 1.200 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 13.384 -10.678 2.268 1.00 0.00 H new ATOM 375 N ALA A 27 13.104 -17.047 -2.060 1.00 0.00 N ATOM 376 CA ALA A 27 13.988 -17.875 -2.876 1.00 0.00 C ATOM 377 C ALA A 27 14.917 -17.020 -3.706 1.00 0.00 C ATOM 378 O ALA A 27 16.129 -16.958 -3.474 1.00 0.00 O ATOM 379 CB ALA A 27 13.102 -18.797 -3.732 1.00 0.00 C ATOM 0 H ALA A 27 12.290 -16.686 -2.557 1.00 0.00 H new ATOM 0 HA ALA A 27 14.637 -18.487 -2.249 1.00 0.00 H new ATOM 0 HB1 ALA A 27 13.732 -19.431 -4.356 1.00 0.00 H new ATOM 0 HB2 ALA A 27 12.491 -19.422 -3.081 1.00 0.00 H new ATOM 0 HB3 ALA A 27 12.455 -18.192 -4.367 1.00 0.00 H new ATOM 385 N SER A 28 14.358 -16.354 -4.700 1.00 0.00 N ATOM 386 CA SER A 28 15.113 -15.416 -5.526 1.00 0.00 C ATOM 387 C SER A 28 14.549 -14.020 -5.412 1.00 0.00 C ATOM 388 O SER A 28 13.421 -13.737 -5.830 1.00 0.00 O ATOM 389 CB SER A 28 15.160 -15.893 -6.999 1.00 0.00 C ATOM 390 OG SER A 28 15.402 -17.299 -7.121 1.00 0.00 O ATOM 0 H SER A 28 13.376 -16.443 -4.960 1.00 0.00 H new ATOM 0 HA SER A 28 16.138 -15.385 -5.157 1.00 0.00 H new ATOM 0 HB2 SER A 28 14.216 -15.648 -7.485 1.00 0.00 H new ATOM 0 HB3 SER A 28 15.942 -15.347 -7.528 1.00 0.00 H new ATOM 0 HG SER A 28 15.420 -17.547 -8.069 1.00 0.00 H new ATOM 396 N ASN A 29 15.333 -13.120 -4.847 1.00 0.00 N ATOM 397 CA ASN A 29 14.920 -11.729 -4.685 1.00 0.00 C ATOM 398 C ASN A 29 14.636 -11.089 -6.024 1.00 0.00 C ATOM 399 O ASN A 29 15.541 -10.645 -6.740 1.00 0.00 O ATOM 400 CB ASN A 29 16.027 -10.940 -3.925 1.00 0.00 C ATOM 401 CG ASN A 29 17.470 -11.142 -4.397 1.00 0.00 C ATOM 402 OD1 ASN A 29 18.155 -12.082 -4.020 1.00 0.00 O ATOM 403 ND2 ASN A 29 17.986 -10.279 -5.230 1.00 0.00 N ATOM 0 H ASN A 29 16.266 -13.325 -4.489 1.00 0.00 H new ATOM 0 HA ASN A 29 13.999 -11.703 -4.103 1.00 0.00 H new ATOM 0 HB2 ASN A 29 15.794 -9.877 -3.993 1.00 0.00 H new ATOM 0 HB3 ASN A 29 15.974 -11.211 -2.871 1.00 0.00 H new ATOM 0 HD21 ASN A 29 18.946 -10.395 -5.555 1.00 0.00 H new ATOM 0 HD22 ASN A 29 17.429 -9.489 -5.555 1.00 0.00 H new ATOM 410 N ARG A 30 13.370 -11.053 -6.395 1.00 0.00 N ATOM 411 CA ARG A 30 12.937 -10.394 -7.625 1.00 0.00 C ATOM 412 C ARG A 30 12.591 -8.943 -7.383 1.00 0.00 C ATOM 413 O ARG A 30 12.845 -8.066 -8.217 1.00 0.00 O ATOM 414 CB ARG A 30 11.724 -11.169 -8.209 1.00 0.00 C ATOM 415 CG ARG A 30 12.088 -12.269 -9.241 1.00 0.00 C ATOM 416 CD ARG A 30 10.948 -12.543 -10.231 1.00 0.00 C ATOM 417 NE ARG A 30 9.664 -12.474 -9.487 1.00 0.00 N ATOM 418 CZ ARG A 30 8.530 -11.942 -9.922 1.00 0.00 C ATOM 419 NH1 ARG A 30 8.388 -11.354 -11.072 1.00 0.00 N ATOM 420 NH2 ARG A 30 7.504 -12.015 -9.148 1.00 0.00 N ATOM 0 H ARG A 30 12.612 -11.476 -5.859 1.00 0.00 H new ATOM 0 HA ARG A 30 13.756 -10.406 -8.344 1.00 0.00 H new ATOM 0 HB2 ARG A 30 11.176 -11.629 -7.387 1.00 0.00 H new ATOM 0 HB3 ARG A 30 11.049 -10.456 -8.683 1.00 0.00 H new ATOM 0 HG2 ARG A 30 12.979 -11.966 -9.792 1.00 0.00 H new ATOM 0 HG3 ARG A 30 12.337 -13.190 -8.714 1.00 0.00 H new ATOM 0 HD2 ARG A 30 10.960 -11.810 -11.038 1.00 0.00 H new ATOM 0 HD3 ARG A 30 11.070 -13.524 -10.690 1.00 0.00 H new ATOM 0 HE ARG A 30 9.654 -12.875 -8.549 1.00 0.00 H new ATOM 0 HH11 ARG A 30 9.182 -11.279 -11.708 1.00 0.00 H new ATOM 0 HH12 ARG A 30 7.483 -10.968 -11.339 1.00 0.00 H new ATOM 0 HH21 ARG A 30 7.583 -12.470 -8.238 1.00 0.00 H new ATOM 0 HH22 ARG A 30 6.612 -11.618 -9.444 1.00 0.00 H new ATOM 434 N SER A 31 11.980 -8.677 -6.243 1.00 0.00 N ATOM 435 CA SER A 31 11.705 -7.311 -5.808 1.00 0.00 C ATOM 436 C SER A 31 10.505 -6.748 -6.537 1.00 0.00 C ATOM 437 O SER A 31 9.595 -7.502 -6.936 1.00 0.00 O ATOM 438 CB SER A 31 12.966 -6.424 -5.972 1.00 0.00 C ATOM 439 OG SER A 31 14.179 -7.121 -5.668 1.00 0.00 O ATOM 0 H SER A 31 11.660 -9.394 -5.592 1.00 0.00 H new ATOM 0 HA SER A 31 11.455 -7.321 -4.747 1.00 0.00 H new ATOM 0 HB2 SER A 31 13.013 -6.053 -6.996 1.00 0.00 H new ATOM 0 HB3 SER A 31 12.880 -5.554 -5.321 1.00 0.00 H new ATOM 0 HG SER A 31 14.942 -6.518 -5.789 1.00 0.00 H new ATOM 445 N TRP A 32 10.435 -5.444 -6.718 1.00 0.00 N ATOM 446 CA TRP A 32 9.264 -4.807 -7.322 1.00 0.00 C ATOM 447 C TRP A 32 9.057 -5.299 -8.734 1.00 0.00 C ATOM 448 O TRP A 32 9.993 -5.727 -9.419 1.00 0.00 O ATOM 449 CB TRP A 32 9.467 -3.267 -7.324 1.00 0.00 C ATOM 450 CG TRP A 32 9.596 -2.626 -5.937 1.00 0.00 C ATOM 451 CD1 TRP A 32 10.138 -3.241 -4.790 1.00 0.00 C ATOM 452 CD2 TRP A 32 9.306 -1.328 -5.568 1.00 0.00 C ATOM 453 NE1 TRP A 32 10.199 -2.349 -3.702 1.00 0.00 N ATOM 454 CE2 TRP A 32 9.676 -1.170 -4.209 1.00 0.00 C ATOM 455 CE3 TRP A 32 8.748 -0.245 -6.295 1.00 0.00 C ATOM 456 CZ2 TRP A 32 9.477 0.070 -3.563 1.00 0.00 C ATOM 457 CZ3 TRP A 32 8.543 0.964 -5.629 1.00 0.00 C ATOM 458 CH2 TRP A 32 8.949 1.135 -4.298 1.00 0.00 C ATOM 0 H TRP A 32 11.177 -4.795 -6.456 1.00 0.00 H new ATOM 0 HA TRP A 32 8.380 -5.063 -6.738 1.00 0.00 H new ATOM 0 HB2 TRP A 32 10.363 -3.035 -7.899 1.00 0.00 H new ATOM 0 HB3 TRP A 32 8.627 -2.806 -7.843 1.00 0.00 H new ATOM 0 HD1 TRP A 32 10.466 -4.269 -4.751 1.00 0.00 H new ATOM 0 HE1 TRP A 32 10.547 -2.529 -2.760 1.00 0.00 H new ATOM 0 HE3 TRP A 32 8.488 -0.354 -7.338 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 9.728 0.193 -2.520 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 8.064 1.781 -6.147 1.00 0.00 H new ATOM 0 HH2 TRP A 32 8.852 2.105 -3.833 1.00 0.00 H new ATOM 469 N ASP A 33 7.823 -5.226 -9.198 1.00 0.00 N ATOM 470 CA ASP A 33 7.439 -5.765 -10.499 1.00 0.00 C ATOM 471 C ASP A 33 6.972 -4.666 -11.423 1.00 0.00 C ATOM 472 O ASP A 33 6.537 -3.592 -10.992 1.00 0.00 O ATOM 473 CB ASP A 33 6.366 -6.872 -10.326 1.00 0.00 C ATOM 474 CG ASP A 33 6.303 -7.572 -8.962 1.00 0.00 C ATOM 475 OD1 ASP A 33 7.032 -8.505 -8.655 1.00 0.00 O ATOM 476 OD2 ASP A 33 5.336 -7.056 -8.145 1.00 0.00 O ATOM 0 H ASP A 33 7.055 -4.792 -8.686 1.00 0.00 H new ATOM 0 HA ASP A 33 8.314 -6.220 -10.963 1.00 0.00 H new ATOM 0 HB2 ASP A 33 5.389 -6.432 -10.527 1.00 0.00 H new ATOM 0 HB3 ASP A 33 6.536 -7.631 -11.089 1.00 0.00 H new ATOM 481 N LYS A 34 7.043 -4.922 -12.716 1.00 0.00 N ATOM 482 CA LYS A 34 6.497 -4.008 -13.717 1.00 0.00 C ATOM 483 C LYS A 34 5.166 -4.504 -14.229 1.00 0.00 C ATOM 484 O LYS A 34 5.077 -5.534 -14.913 1.00 0.00 O ATOM 485 CB LYS A 34 7.517 -3.844 -14.878 1.00 0.00 C ATOM 486 CG LYS A 34 8.982 -3.711 -14.394 1.00 0.00 C ATOM 487 CD LYS A 34 9.939 -3.059 -15.396 1.00 0.00 C ATOM 488 CE LYS A 34 9.823 -3.776 -16.748 1.00 0.00 C ATOM 489 NZ LYS A 34 10.685 -4.971 -16.743 1.00 0.00 N ATOM 0 H LYS A 34 7.475 -5.760 -13.105 1.00 0.00 H new ATOM 0 HA LYS A 34 6.327 -3.035 -13.257 1.00 0.00 H new ATOM 0 HB2 LYS A 34 7.439 -4.703 -15.545 1.00 0.00 H new ATOM 0 HB3 LYS A 34 7.253 -2.962 -15.462 1.00 0.00 H new ATOM 0 HG2 LYS A 34 8.993 -3.129 -13.473 1.00 0.00 H new ATOM 0 HG3 LYS A 34 9.359 -4.704 -14.148 1.00 0.00 H new ATOM 0 HD2 LYS A 34 9.699 -2.002 -15.510 1.00 0.00 H new ATOM 0 HD3 LYS A 34 10.963 -3.116 -15.028 1.00 0.00 H new ATOM 0 HE2 LYS A 34 8.788 -4.062 -16.933 1.00 0.00 H new ATOM 0 HE3 LYS A 34 10.118 -3.105 -17.555 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 10.608 -5.458 -17.658 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 11.673 -4.686 -16.585 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 10.384 -5.613 -15.982 1.00 0.00 H new ATOM 503 N VAL A 35 4.103 -3.776 -13.932 1.00 0.00 N ATOM 504 CA VAL A 35 2.752 -4.237 -14.249 1.00 0.00 C ATOM 505 C VAL A 35 1.892 -3.129 -14.818 1.00 0.00 C ATOM 506 O VAL A 35 2.187 -1.932 -14.742 1.00 0.00 O ATOM 507 CB VAL A 35 2.082 -4.843 -12.952 1.00 0.00 C ATOM 508 CG1 VAL A 35 2.367 -6.343 -12.666 1.00 0.00 C ATOM 509 CG2 VAL A 35 2.454 -4.103 -11.645 1.00 0.00 C ATOM 0 H VAL A 35 4.143 -2.866 -13.473 1.00 0.00 H new ATOM 0 HA VAL A 35 2.831 -5.007 -15.016 1.00 0.00 H new ATOM 0 HB VAL A 35 1.031 -4.714 -13.210 1.00 0.00 H new ATOM 0 HG11 VAL A 35 1.855 -6.643 -11.752 1.00 0.00 H new ATOM 0 HG12 VAL A 35 2.007 -6.947 -13.499 1.00 0.00 H new ATOM 0 HG13 VAL A 35 3.440 -6.493 -12.546 1.00 0.00 H new ATOM 0 HG21 VAL A 35 1.954 -4.580 -10.802 1.00 0.00 H new ATOM 0 HG22 VAL A 35 3.533 -4.145 -11.498 1.00 0.00 H new ATOM 0 HG23 VAL A 35 2.137 -3.062 -11.713 1.00 0.00 H new ATOM 519 N TYR A 36 0.770 -3.541 -15.394 1.00 0.00 N ATOM 520 CA TYR A 36 -0.267 -2.634 -15.874 1.00 0.00 C ATOM 521 C TYR A 36 -1.417 -2.576 -14.897 1.00 0.00 C ATOM 522 O TYR A 36 -2.405 -3.328 -14.987 1.00 0.00 O ATOM 523 CB TYR A 36 -0.824 -3.105 -17.249 1.00 0.00 C ATOM 524 CG TYR A 36 -1.340 -2.038 -18.221 1.00 0.00 C ATOM 525 CD1 TYR A 36 -2.098 -0.966 -17.740 1.00 0.00 C ATOM 526 CD2 TYR A 36 -1.071 -2.133 -19.590 1.00 0.00 C ATOM 527 CE1 TYR A 36 -2.598 -0.011 -18.620 1.00 0.00 C ATOM 528 CE2 TYR A 36 -1.548 -1.160 -20.465 1.00 0.00 C ATOM 529 CZ TYR A 36 -2.291 -0.089 -19.976 1.00 0.00 C ATOM 530 OH TYR A 36 -2.723 0.885 -20.832 1.00 0.00 O ATOM 0 H TYR A 36 0.551 -4.526 -15.543 1.00 0.00 H new ATOM 0 HA TYR A 36 0.187 -1.649 -15.977 1.00 0.00 H new ATOM 0 HB2 TYR A 36 -0.036 -3.664 -17.754 1.00 0.00 H new ATOM 0 HB3 TYR A 36 -1.638 -3.804 -17.058 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -2.296 -0.879 -16.682 1.00 0.00 H new ATOM 0 HD2 TYR A 36 -0.492 -2.962 -19.969 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -3.223 0.789 -18.252 1.00 0.00 H new ATOM 0 HE2 TYR A 36 -1.342 -1.236 -21.522 1.00 0.00 H new ATOM 0 HH TYR A 36 -2.422 0.679 -21.741 1.00 0.00 H new ATOM 540 N MET A 37 -1.314 -1.694 -13.914 1.00 0.00 N ATOM 541 CA MET A 37 -2.291 -1.667 -12.825 1.00 0.00 C ATOM 542 C MET A 37 -3.365 -0.614 -13.027 1.00 0.00 C ATOM 543 O MET A 37 -3.358 0.210 -13.945 1.00 0.00 O ATOM 544 CB MET A 37 -1.574 -1.441 -11.466 1.00 0.00 C ATOM 545 CG MET A 37 -0.174 -2.083 -11.338 1.00 0.00 C ATOM 546 SD MET A 37 0.194 -2.413 -9.609 1.00 0.00 S ATOM 547 CE MET A 37 0.062 -4.206 -9.648 1.00 0.00 C ATOM 0 H MET A 37 -0.575 -0.994 -13.844 1.00 0.00 H new ATOM 0 HA MET A 37 -2.789 -2.637 -12.822 1.00 0.00 H new ATOM 0 HB2 MET A 37 -1.479 -0.368 -11.299 1.00 0.00 H new ATOM 0 HB3 MET A 37 -2.208 -1.833 -10.671 1.00 0.00 H new ATOM 0 HG2 MET A 37 -0.136 -3.010 -11.910 1.00 0.00 H new ATOM 0 HG3 MET A 37 0.580 -1.418 -11.759 1.00 0.00 H new ATOM 0 HE1 MET A 37 -0.420 -4.555 -8.735 1.00 0.00 H new ATOM 0 HE2 MET A 37 -0.532 -4.508 -10.511 1.00 0.00 H new ATOM 0 HE3 MET A 37 1.058 -4.643 -9.722 1.00 0.00 H new ATOM 557 N ALA A 38 -4.319 -0.632 -12.106 1.00 0.00 N ATOM 558 CA ALA A 38 -5.523 0.189 -12.183 1.00 0.00 C ATOM 559 C ALA A 38 -6.141 0.334 -10.809 1.00 0.00 C ATOM 560 O ALA A 38 -7.243 -0.144 -10.523 1.00 0.00 O ATOM 561 CB ALA A 38 -6.473 -0.459 -13.206 1.00 0.00 C ATOM 0 H ALA A 38 -4.280 -1.223 -11.275 1.00 0.00 H new ATOM 0 HA ALA A 38 -5.295 1.200 -12.520 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -7.384 0.135 -13.284 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -5.984 -0.504 -14.179 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -6.725 -1.468 -12.880 1.00 0.00 H new ATOM 567 N ALA A 39 -5.409 0.986 -9.925 1.00 0.00 N ATOM 568 CA ALA A 39 -5.735 1.032 -8.506 1.00 0.00 C ATOM 569 C ALA A 39 -5.126 2.227 -7.818 1.00 0.00 C ATOM 570 O ALA A 39 -4.351 2.991 -8.434 1.00 0.00 O ATOM 571 CB ALA A 39 -5.203 -0.292 -7.912 1.00 0.00 C ATOM 0 H ALA A 39 -4.565 1.503 -10.170 1.00 0.00 H new ATOM 0 HA ALA A 39 -6.810 1.138 -8.359 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -5.416 -0.323 -6.843 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -5.691 -1.133 -8.404 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -4.126 -0.355 -8.069 1.00 0.00 H new ATOM 577 N LYS A 40 -5.458 2.467 -6.565 1.00 0.00 N ATOM 578 CA LYS A 40 -4.716 3.433 -5.751 1.00 0.00 C ATOM 579 C LYS A 40 -5.082 3.327 -4.289 1.00 0.00 C ATOM 580 O LYS A 40 -4.290 2.841 -3.460 1.00 0.00 O ATOM 581 CB LYS A 40 -4.916 4.886 -6.256 1.00 0.00 C ATOM 582 CG LYS A 40 -6.294 5.535 -6.499 1.00 0.00 C ATOM 583 CD LYS A 40 -6.242 6.694 -7.523 1.00 0.00 C ATOM 584 CE LYS A 40 -7.237 7.838 -7.232 1.00 0.00 C ATOM 585 NZ LYS A 40 -8.444 7.696 -8.072 1.00 0.00 N ATOM 0 H LYS A 40 -6.233 2.012 -6.082 1.00 0.00 H new ATOM 0 HA LYS A 40 -3.660 3.184 -5.855 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -4.399 5.529 -5.544 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -4.376 4.957 -7.200 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -6.990 4.775 -6.853 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -6.685 5.910 -5.553 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -5.231 7.102 -7.542 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -6.444 6.295 -8.517 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -7.516 7.827 -6.178 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -6.762 8.800 -7.426 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -8.937 8.610 -8.128 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -8.168 7.392 -9.028 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -9.078 6.986 -7.652 1.00 0.00 H new ATOM 599 N ALA A 41 -6.283 3.750 -3.944 1.00 0.00 N ATOM 600 CA ALA A 41 -6.652 3.857 -2.526 1.00 0.00 C ATOM 601 C ALA A 41 -8.146 3.851 -2.314 1.00 0.00 C ATOM 602 O ALA A 41 -8.683 4.603 -1.482 1.00 0.00 O ATOM 603 CB ALA A 41 -5.977 5.133 -1.991 1.00 0.00 C ATOM 0 H ALA A 41 -7.013 4.022 -4.602 1.00 0.00 H new ATOM 0 HA ALA A 41 -6.304 2.985 -1.973 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -6.221 5.259 -0.936 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -4.896 5.048 -2.106 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -6.335 5.996 -2.552 1.00 0.00 H new ATOM 609 N GLY A 42 -8.863 3.041 -3.063 1.00 0.00 N ATOM 610 CA GLY A 42 -10.309 2.878 -2.852 1.00 0.00 C ATOM 611 C GLY A 42 -10.713 1.496 -3.333 1.00 0.00 C ATOM 612 O GLY A 42 -11.469 0.775 -2.677 1.00 0.00 O ATOM 0 H GLY A 42 -8.481 2.481 -3.825 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -10.554 2.998 -1.797 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -10.860 3.645 -3.397 1.00 0.00 H new ATOM 616 N ARG A 43 -10.173 1.134 -4.480 1.00 0.00 N ATOM 617 CA ARG A 43 -10.308 -0.215 -5.016 1.00 0.00 C ATOM 618 C ARG A 43 -9.210 -0.506 -6.010 1.00 0.00 C ATOM 619 O ARG A 43 -8.882 0.348 -6.859 1.00 0.00 O ATOM 620 CB ARG A 43 -11.701 -0.369 -5.693 1.00 0.00 C ATOM 621 CG ARG A 43 -12.933 0.016 -4.830 1.00 0.00 C ATOM 622 CD ARG A 43 -14.236 -0.600 -5.360 1.00 0.00 C ATOM 623 NE ARG A 43 -15.191 0.504 -5.634 1.00 0.00 N ATOM 624 CZ ARG A 43 -16.078 0.534 -6.620 1.00 0.00 C ATOM 625 NH1 ARG A 43 -16.239 -0.417 -7.492 1.00 0.00 N ATOM 626 NH2 ARG A 43 -16.825 1.577 -6.714 1.00 0.00 N ATOM 0 H ARG A 43 -9.628 1.763 -5.070 1.00 0.00 H new ATOM 0 HA ARG A 43 -10.223 -0.930 -4.197 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -11.712 0.242 -6.596 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -11.815 -1.406 -6.008 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -12.771 -0.312 -3.803 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -13.031 1.101 -4.806 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -14.045 -1.172 -6.268 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -14.654 -1.292 -4.629 1.00 0.00 H new ATOM 0 HE ARG A 43 -15.162 1.310 -5.009 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -15.661 -1.256 -7.444 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -16.943 -0.324 -8.224 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -16.722 2.340 -6.045 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -17.520 1.641 -7.458 1.00 0.00 H new ATOM 640 N ILE A 44 -8.633 -1.691 -5.965 1.00 0.00 N ATOM 641 CA ILE A 44 -7.521 -2.033 -6.850 1.00 0.00 C ATOM 642 C ILE A 44 -7.953 -2.965 -7.958 1.00 0.00 C ATOM 643 O ILE A 44 -8.924 -3.721 -7.852 1.00 0.00 O ATOM 644 CB ILE A 44 -6.305 -2.637 -6.030 1.00 0.00 C ATOM 645 CG1 ILE A 44 -5.343 -1.593 -5.373 1.00 0.00 C ATOM 646 CG2 ILE A 44 -5.435 -3.609 -6.887 1.00 0.00 C ATOM 647 CD1 ILE A 44 -5.913 -0.176 -5.166 1.00 0.00 C ATOM 0 H ILE A 44 -8.911 -2.437 -5.328 1.00 0.00 H new ATOM 0 HA ILE A 44 -7.183 -1.110 -7.320 1.00 0.00 H new ATOM 0 HB ILE A 44 -6.811 -3.168 -5.224 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -5.028 -1.980 -4.404 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -4.449 -1.515 -5.991 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -4.616 -3.995 -6.280 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -6.051 -4.438 -7.235 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -5.029 -3.073 -7.745 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -5.155 0.457 -4.704 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -6.199 0.245 -6.130 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -6.788 -0.227 -4.518 1.00 0.00 H new ATOM 659 N SER A 45 -7.238 -2.902 -9.067 1.00 0.00 N ATOM 660 CA SER A 45 -7.404 -3.827 -10.183 1.00 0.00 C ATOM 661 C SER A 45 -6.069 -4.088 -10.843 1.00 0.00 C ATOM 662 O SER A 45 -5.451 -3.165 -11.409 1.00 0.00 O ATOM 663 CB SER A 45 -8.458 -3.305 -11.190 1.00 0.00 C ATOM 664 OG SER A 45 -8.121 -3.594 -12.551 1.00 0.00 O ATOM 0 H SER A 45 -6.515 -2.199 -9.224 1.00 0.00 H new ATOM 0 HA SER A 45 -7.780 -4.776 -9.800 1.00 0.00 H new ATOM 0 HB2 SER A 45 -9.426 -3.750 -10.958 1.00 0.00 H new ATOM 0 HB3 SER A 45 -8.566 -2.227 -11.069 1.00 0.00 H new ATOM 0 HG SER A 45 -8.820 -3.244 -13.142 1.00 0.00 H new ATOM 670 N PHE A 46 -5.589 -5.316 -10.823 1.00 0.00 N ATOM 671 CA PHE A 46 -4.225 -5.614 -11.279 1.00 0.00 C ATOM 672 C PHE A 46 -4.152 -6.407 -12.569 1.00 0.00 C ATOM 673 O PHE A 46 -4.975 -7.300 -12.810 1.00 0.00 O ATOM 674 CB PHE A 46 -3.510 -6.456 -10.175 1.00 0.00 C ATOM 675 CG PHE A 46 -3.038 -5.678 -8.937 1.00 0.00 C ATOM 676 CD1 PHE A 46 -2.857 -4.292 -8.993 1.00 0.00 C ATOM 677 CD2 PHE A 46 -2.850 -6.347 -7.723 1.00 0.00 C ATOM 678 CE1 PHE A 46 -2.537 -3.582 -7.838 1.00 0.00 C ATOM 679 CE2 PHE A 46 -2.530 -5.637 -6.571 1.00 0.00 C ATOM 680 CZ PHE A 46 -2.426 -4.248 -6.618 1.00 0.00 C ATOM 0 H PHE A 46 -6.113 -6.129 -10.499 1.00 0.00 H new ATOM 0 HA PHE A 46 -3.751 -4.650 -11.466 1.00 0.00 H new ATOM 0 HB2 PHE A 46 -4.190 -7.243 -9.848 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -2.646 -6.947 -10.623 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -2.966 -3.772 -9.933 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -2.954 -7.421 -7.680 1.00 0.00 H new ATOM 0 HE1 PHE A 46 -2.375 -2.515 -7.887 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -2.362 -6.161 -5.642 1.00 0.00 H new ATOM 0 HZ PHE A 46 -2.260 -3.688 -5.710 1.00 0.00 H new ATOM 690 N TYR A 47 -3.201 -6.092 -13.430 1.00 0.00 N ATOM 691 CA TYR A 47 -2.915 -6.909 -14.607 1.00 0.00 C ATOM 692 C TYR A 47 -1.528 -6.636 -15.146 1.00 0.00 C ATOM 693 O TYR A 47 -1.235 -5.512 -15.593 1.00 0.00 O ATOM 694 CB TYR A 47 -3.933 -6.619 -15.747 1.00 0.00 C ATOM 695 CG TYR A 47 -4.297 -5.151 -16.001 1.00 0.00 C ATOM 696 CD1 TYR A 47 -4.980 -4.406 -15.036 1.00 0.00 C ATOM 697 CD2 TYR A 47 -3.951 -4.553 -17.217 1.00 0.00 C ATOM 698 CE1 TYR A 47 -5.347 -3.088 -15.302 1.00 0.00 C ATOM 699 CE2 TYR A 47 -4.368 -3.255 -17.502 1.00 0.00 C ATOM 700 CZ TYR A 47 -5.065 -2.524 -16.543 1.00 0.00 C ATOM 701 OH TYR A 47 -5.477 -1.252 -16.822 1.00 0.00 O ATOM 0 H TYR A 47 -2.606 -5.269 -13.339 1.00 0.00 H new ATOM 0 HA TYR A 47 -2.990 -7.949 -14.289 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -3.532 -7.033 -16.672 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -4.852 -7.162 -15.526 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -5.224 -4.852 -14.083 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -3.359 -5.099 -17.937 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -5.850 -2.504 -14.545 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -4.151 -2.816 -18.465 1.00 0.00 H new ATOM 0 HH TYR A 47 -4.757 -0.768 -17.278 1.00 0.00 H new ATOM 711 N LYS A 48 -0.643 -7.619 -15.156 1.00 0.00 N ATOM 712 CA LYS A 48 0.723 -7.412 -15.647 1.00 0.00 C ATOM 713 C LYS A 48 0.700 -6.876 -17.061 1.00 0.00 C ATOM 714 O LYS A 48 1.443 -5.969 -17.451 1.00 0.00 O ATOM 715 CB LYS A 48 1.530 -8.736 -15.561 1.00 0.00 C ATOM 716 CG LYS A 48 2.683 -8.683 -14.526 1.00 0.00 C ATOM 717 CD LYS A 48 3.648 -9.870 -14.565 1.00 0.00 C ATOM 718 CE LYS A 48 4.378 -9.973 -13.219 1.00 0.00 C ATOM 719 NZ LYS A 48 4.960 -8.665 -12.871 1.00 0.00 N ATOM 0 H LYS A 48 -0.838 -8.567 -14.833 1.00 0.00 H new ATOM 0 HA LYS A 48 1.217 -6.672 -15.017 1.00 0.00 H new ATOM 0 HB2 LYS A 48 0.853 -9.550 -15.300 1.00 0.00 H new ATOM 0 HB3 LYS A 48 1.943 -8.967 -16.543 1.00 0.00 H new ATOM 0 HG2 LYS A 48 3.252 -7.767 -14.686 1.00 0.00 H new ATOM 0 HG3 LYS A 48 2.251 -8.619 -13.527 1.00 0.00 H new ATOM 0 HD2 LYS A 48 3.102 -10.791 -14.767 1.00 0.00 H new ATOM 0 HD3 LYS A 48 4.368 -9.742 -15.374 1.00 0.00 H new ATOM 0 HE2 LYS A 48 3.684 -10.292 -12.441 1.00 0.00 H new ATOM 0 HE3 LYS A 48 5.162 -10.728 -13.276 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 5.969 -8.783 -12.646 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 4.858 -8.015 -13.676 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 4.464 -8.273 -12.045 1.00 0.00 H new ATOM 733 N ASP A 49 -0.198 -7.432 -17.855 1.00 0.00 N ATOM 734 CA ASP A 49 -0.482 -6.963 -19.207 1.00 0.00 C ATOM 735 C ASP A 49 -1.882 -7.359 -19.617 1.00 0.00 C ATOM 736 O ASP A 49 -2.758 -7.588 -18.764 1.00 0.00 O ATOM 737 CB ASP A 49 0.582 -7.486 -20.208 1.00 0.00 C ATOM 738 CG ASP A 49 2.059 -7.364 -19.805 1.00 0.00 C ATOM 739 OD1 ASP A 49 2.672 -6.307 -19.817 1.00 0.00 O ATOM 740 OD2 ASP A 49 2.614 -8.566 -19.461 1.00 0.00 O ATOM 0 H ASP A 49 -0.762 -8.236 -17.577 1.00 0.00 H new ATOM 0 HA ASP A 49 -0.428 -5.874 -19.219 1.00 0.00 H new ATOM 0 HB2 ASP A 49 0.373 -8.538 -20.402 1.00 0.00 H new ATOM 0 HB3 ASP A 49 0.446 -6.955 -21.150 1.00 0.00 H new ATOM 745 N GLN A 50 -2.146 -7.438 -20.907 1.00 0.00 N ATOM 746 CA GLN A 50 -3.422 -7.956 -21.398 1.00 0.00 C ATOM 747 C GLN A 50 -3.540 -9.456 -21.205 1.00 0.00 C ATOM 748 O GLN A 50 -4.641 -10.013 -21.318 1.00 0.00 O ATOM 749 CB GLN A 50 -3.557 -7.584 -22.890 1.00 0.00 C ATOM 750 CG GLN A 50 -3.013 -6.175 -23.300 1.00 0.00 C ATOM 751 CD GLN A 50 -3.794 -4.921 -22.890 1.00 0.00 C ATOM 752 OE1 GLN A 50 -4.561 -4.374 -23.667 1.00 0.00 O ATOM 753 NE2 GLN A 50 -3.626 -4.405 -21.699 1.00 0.00 N ATOM 0 H GLN A 50 -1.497 -7.151 -21.640 1.00 0.00 H new ATOM 0 HA GLN A 50 -4.231 -7.506 -20.822 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -3.036 -8.338 -23.480 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -4.611 -7.638 -23.163 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -2.006 -6.081 -22.893 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -2.920 -6.163 -24.386 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -2.989 -4.848 -21.036 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -4.132 -3.560 -21.433 1.00 0.00 H new ATOM 762 N LYS A 51 -2.449 -10.147 -20.940 1.00 0.00 N ATOM 763 CA LYS A 51 -2.376 -11.611 -20.856 1.00 0.00 C ATOM 764 C LYS A 51 -3.565 -12.255 -20.172 1.00 0.00 C ATOM 765 O LYS A 51 -4.337 -13.020 -20.779 1.00 0.00 O ATOM 766 CB LYS A 51 -1.074 -11.995 -20.089 1.00 0.00 C ATOM 767 CG LYS A 51 -0.760 -11.014 -18.925 1.00 0.00 C ATOM 768 CD LYS A 51 -0.700 -11.667 -17.542 1.00 0.00 C ATOM 769 CE LYS A 51 0.355 -12.781 -17.556 1.00 0.00 C ATOM 770 NZ LYS A 51 -0.295 -14.077 -17.295 1.00 0.00 N ATOM 0 H LYS A 51 -1.550 -9.697 -20.769 1.00 0.00 H new ATOM 0 HA LYS A 51 -2.377 -11.987 -21.879 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -1.174 -13.005 -19.692 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -0.236 -12.008 -20.786 1.00 0.00 H new ATOM 0 HG2 LYS A 51 0.195 -10.527 -19.125 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -1.519 -10.232 -18.911 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -0.450 -10.923 -16.786 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -1.675 -12.076 -17.277 1.00 0.00 H new ATOM 0 HE2 LYS A 51 0.862 -12.804 -18.521 1.00 0.00 H new ATOM 0 HE3 LYS A 51 1.116 -12.585 -16.801 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 0.182 -14.821 -17.844 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -0.231 -14.300 -16.281 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -1.295 -14.027 -17.576 1.00 0.00 H new ATOM 784 N GLY A 52 -3.726 -11.999 -18.887 1.00 0.00 N ATOM 785 CA GLY A 52 -4.822 -12.603 -18.116 1.00 0.00 C ATOM 786 C GLY A 52 -6.147 -12.142 -18.699 1.00 0.00 C ATOM 787 O GLY A 52 -7.004 -12.937 -19.094 1.00 0.00 O ATOM 0 H GLY A 52 -3.120 -11.381 -18.348 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -4.753 -13.690 -18.151 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -4.750 -12.313 -17.068 1.00 0.00 H new ATOM 791 N TYR A 53 -6.292 -10.830 -18.772 1.00 0.00 N ATOM 792 CA TYR A 53 -7.421 -10.190 -19.439 1.00 0.00 C ATOM 793 C TYR A 53 -7.759 -10.874 -20.747 1.00 0.00 C ATOM 794 O TYR A 53 -8.917 -10.949 -21.171 1.00 0.00 O ATOM 795 CB TYR A 53 -7.096 -8.701 -19.760 1.00 0.00 C ATOM 796 CG TYR A 53 -7.348 -7.661 -18.662 1.00 0.00 C ATOM 797 CD1 TYR A 53 -6.905 -7.881 -17.355 1.00 0.00 C ATOM 798 CD2 TYR A 53 -8.031 -6.480 -18.973 1.00 0.00 C ATOM 799 CE1 TYR A 53 -7.104 -6.907 -16.379 1.00 0.00 C ATOM 800 CE2 TYR A 53 -8.216 -5.503 -17.999 1.00 0.00 C ATOM 801 CZ TYR A 53 -7.736 -5.712 -16.708 1.00 0.00 C ATOM 802 OH TYR A 53 -7.892 -4.740 -15.758 1.00 0.00 O ATOM 0 H TYR A 53 -5.626 -10.171 -18.368 1.00 0.00 H new ATOM 0 HA TYR A 53 -8.267 -10.263 -18.756 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -6.045 -8.641 -20.043 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -7.679 -8.412 -20.635 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -6.408 -8.806 -17.102 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -8.415 -6.326 -19.971 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -6.768 -7.080 -15.367 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -8.730 -4.585 -18.243 1.00 0.00 H new ATOM 0 HH TYR A 53 -7.019 -4.353 -15.539 1.00 0.00 H new ATOM 812 N LYS A 54 -6.737 -11.385 -21.411 1.00 0.00 N ATOM 813 CA LYS A 54 -6.876 -12.036 -22.712 1.00 0.00 C ATOM 814 C LYS A 54 -7.709 -13.290 -22.598 1.00 0.00 C ATOM 815 O LYS A 54 -8.690 -13.494 -23.322 1.00 0.00 O ATOM 816 CB LYS A 54 -5.470 -12.357 -23.290 1.00 0.00 C ATOM 817 CG LYS A 54 -5.406 -12.371 -24.840 1.00 0.00 C ATOM 818 CD LYS A 54 -4.250 -13.190 -25.424 1.00 0.00 C ATOM 819 CE LYS A 54 -4.678 -14.656 -25.568 1.00 0.00 C ATOM 820 NZ LYS A 54 -3.752 -15.513 -24.806 1.00 0.00 N ATOM 0 H LYS A 54 -5.778 -11.362 -21.064 1.00 0.00 H new ATOM 0 HA LYS A 54 -7.390 -11.357 -23.393 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -4.759 -11.621 -22.915 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -5.149 -13.329 -22.916 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -6.345 -12.767 -25.226 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -5.323 -11.344 -25.196 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -3.961 -12.788 -26.395 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -3.376 -13.118 -24.776 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -5.696 -14.787 -25.202 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -4.677 -14.945 -26.619 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -4.041 -16.508 -24.902 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -2.787 -15.395 -25.175 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -3.774 -15.242 -23.802 1.00 0.00 H new ATOM 834 N SER A 55 -7.315 -14.167 -21.690 1.00 0.00 N ATOM 835 CA SER A 55 -8.076 -15.386 -21.426 1.00 0.00 C ATOM 836 C SER A 55 -9.401 -15.067 -20.774 1.00 0.00 C ATOM 837 O SER A 55 -10.477 -15.288 -21.341 1.00 0.00 O ATOM 838 CB SER A 55 -7.245 -16.380 -20.576 1.00 0.00 C ATOM 839 OG SER A 55 -5.834 -16.170 -20.697 1.00 0.00 O ATOM 0 H SER A 55 -6.474 -14.062 -21.122 1.00 0.00 H new ATOM 0 HA SER A 55 -8.291 -15.868 -22.380 1.00 0.00 H new ATOM 0 HB2 SER A 55 -7.533 -16.285 -19.529 1.00 0.00 H new ATOM 0 HB3 SER A 55 -7.483 -17.399 -20.881 1.00 0.00 H new ATOM 0 HG SER A 55 -5.357 -16.821 -20.141 1.00 0.00 H new ATOM 845 N ASN A 56 -9.342 -14.553 -19.560 1.00 0.00 N ATOM 846 CA ASN A 56 -10.536 -14.145 -18.824 1.00 0.00 C ATOM 847 C ASN A 56 -10.389 -12.739 -18.296 1.00 0.00 C ATOM 848 O ASN A 56 -9.304 -12.297 -17.925 1.00 0.00 O ATOM 849 CB ASN A 56 -10.794 -15.147 -17.661 1.00 0.00 C ATOM 850 CG ASN A 56 -11.553 -16.434 -18.005 1.00 0.00 C ATOM 851 OD1 ASN A 56 -12.726 -16.601 -17.706 1.00 0.00 O ATOM 852 ND2 ASN A 56 -10.915 -17.393 -18.619 1.00 0.00 N ATOM 0 H ASN A 56 -8.470 -14.405 -19.052 1.00 0.00 H new ATOM 0 HA ASN A 56 -11.390 -14.155 -19.501 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -9.830 -15.426 -17.235 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -11.349 -14.625 -16.881 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -11.396 -18.265 -18.842 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -9.936 -17.271 -18.876 1.00 0.00 H new ATOM 859 N PRO A 57 -11.490 -12.013 -18.250 1.00 0.00 N ATOM 860 CA PRO A 57 -11.608 -10.585 -17.716 1.00 0.00 C ATOM 861 C PRO A 57 -11.507 -10.451 -16.215 1.00 0.00 C ATOM 862 O PRO A 57 -11.095 -9.408 -15.685 1.00 0.00 O ATOM 863 CB PRO A 57 -12.978 -10.086 -18.152 1.00 0.00 C ATOM 864 CG PRO A 57 -13.796 -11.386 -18.094 1.00 0.00 C ATOM 865 CD PRO A 57 -12.842 -12.429 -18.695 1.00 0.00 C ATOM 0 HA PRO A 57 -10.770 -10.012 -18.113 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -13.371 -9.321 -17.482 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -12.960 -9.654 -19.153 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -14.077 -11.639 -17.072 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -14.719 -11.307 -18.668 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -13.082 -13.432 -18.343 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -12.911 -12.447 -19.783 1.00 0.00 H new ATOM 873 N GLU A 58 -11.878 -11.491 -15.490 1.00 0.00 N ATOM 874 CA GLU A 58 -11.750 -11.523 -14.037 1.00 0.00 C ATOM 875 C GLU A 58 -10.431 -12.126 -13.607 1.00 0.00 C ATOM 876 O GLU A 58 -10.002 -11.948 -12.450 1.00 0.00 O ATOM 877 CB GLU A 58 -12.951 -12.324 -13.458 1.00 0.00 C ATOM 878 CG GLU A 58 -12.750 -13.858 -13.222 1.00 0.00 C ATOM 879 CD GLU A 58 -13.961 -14.780 -13.388 1.00 0.00 C ATOM 880 OE1 GLU A 58 -14.796 -14.410 -14.398 1.00 0.00 O ATOM 881 OE2 GLU A 58 -14.157 -15.757 -12.677 1.00 0.00 O ATOM 0 H GLU A 58 -12.278 -12.340 -15.889 1.00 0.00 H new ATOM 0 HA GLU A 58 -11.764 -10.504 -13.649 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -13.230 -11.871 -12.507 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -13.797 -12.196 -14.133 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -11.974 -14.201 -13.906 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -12.366 -13.992 -12.211 1.00 0.00 H new ATOM 888 N LEU A 59 -9.761 -12.855 -14.478 1.00 0.00 N ATOM 889 CA LEU A 59 -8.457 -13.442 -14.162 1.00 0.00 C ATOM 890 C LEU A 59 -7.366 -12.879 -15.046 1.00 0.00 C ATOM 891 O LEU A 59 -7.113 -13.351 -16.160 1.00 0.00 O ATOM 892 CB LEU A 59 -8.519 -14.991 -14.279 1.00 0.00 C ATOM 893 CG LEU A 59 -9.497 -15.755 -13.346 1.00 0.00 C ATOM 894 CD1 LEU A 59 -8.856 -17.066 -12.869 1.00 0.00 C ATOM 895 CD2 LEU A 59 -9.936 -14.918 -12.132 1.00 0.00 C ATOM 0 H LEU A 59 -10.095 -13.061 -15.420 1.00 0.00 H new ATOM 0 HA LEU A 59 -8.211 -13.179 -13.133 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -8.779 -15.238 -15.308 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -7.516 -15.379 -14.101 1.00 0.00 H new ATOM 0 HG LEU A 59 -10.391 -15.969 -13.931 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -9.550 -17.594 -12.215 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -8.622 -17.691 -13.731 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -7.940 -16.845 -12.322 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -10.619 -15.502 -11.515 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -9.060 -14.643 -11.544 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -10.440 -14.015 -12.476 1.00 0.00 H new ATOM 907 N THR A 60 -6.683 -11.868 -14.545 1.00 0.00 N ATOM 908 CA THR A 60 -5.508 -11.295 -15.198 1.00 0.00 C ATOM 909 C THR A 60 -4.284 -12.133 -14.921 1.00 0.00 C ATOM 910 O THR A 60 -4.409 -13.336 -14.598 1.00 0.00 O ATOM 911 CB THR A 60 -5.294 -9.812 -14.733 1.00 0.00 C ATOM 912 OG1 THR A 60 -4.316 -9.714 -13.706 1.00 0.00 O ATOM 913 CG2 THR A 60 -6.537 -9.107 -14.142 1.00 0.00 C ATOM 0 H THR A 60 -6.925 -11.413 -13.665 1.00 0.00 H new ATOM 0 HA THR A 60 -5.675 -11.292 -16.275 1.00 0.00 H new ATOM 0 HB THR A 60 -5.003 -9.327 -15.665 1.00 0.00 H new ATOM 0 HG1 THR A 60 -4.388 -8.840 -13.268 1.00 0.00 H new ATOM 0 HG21 THR A 60 -6.275 -8.089 -13.854 1.00 0.00 H new ATOM 0 HG22 THR A 60 -7.330 -9.080 -14.889 1.00 0.00 H new ATOM 0 HG23 THR A 60 -6.883 -9.654 -13.265 1.00 0.00 H new ATOM 921 N PHE A 61 -3.096 -11.566 -15.055 1.00 0.00 N ATOM 922 CA PHE A 61 -1.887 -12.282 -14.628 1.00 0.00 C ATOM 923 C PHE A 61 -2.065 -12.744 -13.199 1.00 0.00 C ATOM 924 O PHE A 61 -2.764 -12.045 -12.417 1.00 0.00 O ATOM 925 CB PHE A 61 -0.624 -11.377 -14.721 1.00 0.00 C ATOM 926 CG PHE A 61 0.040 -10.907 -13.419 1.00 0.00 C ATOM 927 CD1 PHE A 61 -0.497 -9.821 -12.720 1.00 0.00 C ATOM 928 CD2 PHE A 61 1.213 -11.511 -12.957 1.00 0.00 C ATOM 929 CE1 PHE A 61 0.153 -9.316 -11.599 1.00 0.00 C ATOM 930 CE2 PHE A 61 1.863 -11.005 -11.834 1.00 0.00 C ATOM 931 CZ PHE A 61 1.342 -9.899 -11.165 1.00 0.00 C ATOM 0 H PHE A 61 -2.935 -10.637 -15.444 1.00 0.00 H new ATOM 0 HA PHE A 61 -1.742 -13.134 -15.292 1.00 0.00 H new ATOM 0 HB2 PHE A 61 0.127 -11.915 -15.300 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -0.894 -10.490 -15.294 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -1.421 -9.372 -13.053 1.00 0.00 H new ATOM 0 HD2 PHE A 61 1.616 -12.371 -13.471 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -0.263 -8.474 -11.066 1.00 0.00 H new ATOM 0 HE2 PHE A 61 2.772 -11.470 -11.481 1.00 0.00 H new ATOM 0 HZ PHE A 61 1.860 -9.493 -10.309 1.00 0.00 H new ATOM 941 N ARG A 62 -1.484 -13.842 -12.764 1.00 0.00 N ATOM 942 CA ARG A 62 -1.791 -14.412 -11.448 1.00 0.00 C ATOM 943 C ARG A 62 -1.655 -13.414 -10.322 1.00 0.00 C ATOM 944 O ARG A 62 -2.088 -13.722 -9.180 1.00 0.00 O ATOM 945 CB ARG A 62 -0.865 -15.637 -11.218 1.00 0.00 C ATOM 946 CG ARG A 62 -1.089 -16.826 -12.192 1.00 0.00 C ATOM 947 CD ARG A 62 -0.451 -18.125 -11.681 1.00 0.00 C ATOM 948 NE ARG A 62 -1.499 -18.921 -10.994 1.00 0.00 N ATOM 949 CZ ARG A 62 -2.181 -19.924 -11.532 1.00 0.00 C ATOM 950 NH1 ARG A 62 -2.054 -20.318 -12.764 1.00 0.00 N ATOM 951 NH2 ARG A 62 -3.020 -20.542 -10.779 1.00 0.00 N ATOM 0 H ARG A 62 -0.792 -14.368 -13.298 1.00 0.00 H new ATOM 0 HA ARG A 62 -2.838 -14.716 -11.444 1.00 0.00 H new ATOM 0 HB2 ARG A 62 0.171 -15.310 -11.301 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -1.006 -15.992 -10.197 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -2.159 -16.980 -12.334 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -0.671 -16.578 -13.167 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -0.027 -18.691 -12.510 1.00 0.00 H new ATOM 0 HD3 ARG A 62 0.367 -17.902 -10.996 1.00 0.00 H new ATOM 0 HE ARG A 62 -1.713 -18.676 -10.027 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -1.396 -19.847 -13.385 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -2.612 -21.098 -13.110 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -3.141 -20.255 -9.808 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -3.565 -21.319 -11.153 1.00 0.00 H new ATOM 965 N GLY A 63 -1.059 -12.260 -10.520 1.00 0.00 N ATOM 966 CA GLY A 63 -1.140 -11.174 -9.519 1.00 0.00 C ATOM 967 C GLY A 63 -2.351 -10.317 -9.957 1.00 0.00 C ATOM 968 O GLY A 63 -2.293 -9.108 -10.160 1.00 0.00 O ATOM 0 H GLY A 63 -0.513 -12.032 -11.351 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -1.281 -11.573 -8.514 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -0.224 -10.584 -9.502 1.00 0.00 H new ATOM 972 N GLU A 64 -3.459 -11.018 -10.074 1.00 0.00 N ATOM 973 CA GLU A 64 -4.688 -10.497 -10.684 1.00 0.00 C ATOM 974 C GLU A 64 -5.635 -9.716 -9.799 1.00 0.00 C ATOM 975 O GLU A 64 -6.235 -8.717 -10.256 1.00 0.00 O ATOM 976 CB GLU A 64 -5.422 -11.749 -11.269 1.00 0.00 C ATOM 977 CG GLU A 64 -5.448 -13.039 -10.387 1.00 0.00 C ATOM 978 CD GLU A 64 -6.227 -14.259 -10.881 1.00 0.00 C ATOM 979 OE1 GLU A 64 -5.578 -14.971 -11.844 1.00 0.00 O ATOM 980 OE2 GLU A 64 -7.331 -14.565 -10.448 1.00 0.00 O ATOM 0 H GLU A 64 -3.544 -11.980 -9.747 1.00 0.00 H new ATOM 0 HA GLU A 64 -4.387 -9.749 -11.417 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -6.452 -11.466 -11.484 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -4.955 -12.000 -12.221 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -4.415 -13.350 -10.228 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -5.851 -12.763 -9.413 1.00 0.00 H new ATOM 987 N PRO A 65 -5.854 -10.089 -8.558 1.00 0.00 N ATOM 988 CA PRO A 65 -6.850 -9.550 -7.528 1.00 0.00 C ATOM 989 C PRO A 65 -7.296 -8.093 -7.620 1.00 0.00 C ATOM 990 O PRO A 65 -6.739 -7.198 -8.265 1.00 0.00 O ATOM 991 CB PRO A 65 -6.149 -9.714 -6.188 1.00 0.00 C ATOM 992 CG PRO A 65 -5.372 -11.024 -6.377 1.00 0.00 C ATOM 993 CD PRO A 65 -5.126 -11.202 -7.876 1.00 0.00 C ATOM 0 HA PRO A 65 -7.772 -10.107 -7.694 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -5.486 -8.876 -5.972 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -6.859 -9.779 -5.364 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -4.427 -10.991 -5.835 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -5.938 -11.866 -5.979 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -4.060 -11.165 -8.102 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -5.490 -12.171 -8.217 1.00 0.00 H new ATOM 1001 N SER A 66 -8.381 -7.817 -6.886 1.00 0.00 N ATOM 1002 CA SER A 66 -8.976 -6.492 -6.751 1.00 0.00 C ATOM 1003 C SER A 66 -9.342 -6.213 -5.311 1.00 0.00 C ATOM 1004 O SER A 66 -9.881 -7.083 -4.606 1.00 0.00 O ATOM 1005 CB SER A 66 -10.204 -6.342 -7.682 1.00 0.00 C ATOM 1006 OG SER A 66 -9.944 -6.753 -9.029 1.00 0.00 O ATOM 0 H SER A 66 -8.879 -8.533 -6.357 1.00 0.00 H new ATOM 0 HA SER A 66 -8.236 -5.752 -7.056 1.00 0.00 H new ATOM 0 HB2 SER A 66 -11.029 -6.931 -7.282 1.00 0.00 H new ATOM 0 HB3 SER A 66 -10.527 -5.301 -7.682 1.00 0.00 H new ATOM 0 HG SER A 66 -10.754 -6.637 -9.568 1.00 0.00 H new ATOM 1012 N TYR A 67 -9.091 -5.007 -4.839 1.00 0.00 N ATOM 1013 CA TYR A 67 -9.353 -4.639 -3.450 1.00 0.00 C ATOM 1014 C TYR A 67 -10.414 -3.563 -3.357 1.00 0.00 C ATOM 1015 O TYR A 67 -10.920 -3.029 -4.349 1.00 0.00 O ATOM 1016 CB TYR A 67 -8.054 -4.117 -2.765 1.00 0.00 C ATOM 1017 CG TYR A 67 -6.949 -5.152 -2.518 1.00 0.00 C ATOM 1018 CD1 TYR A 67 -7.168 -6.189 -1.603 1.00 0.00 C ATOM 1019 CD2 TYR A 67 -5.725 -5.070 -3.187 1.00 0.00 C ATOM 1020 CE1 TYR A 67 -6.145 -7.083 -1.301 1.00 0.00 C ATOM 1021 CE2 TYR A 67 -4.703 -5.967 -2.883 1.00 0.00 C ATOM 1022 CZ TYR A 67 -4.912 -6.969 -1.940 1.00 0.00 C ATOM 1023 OH TYR A 67 -3.905 -7.842 -1.639 1.00 0.00 O ATOM 0 H TYR A 67 -8.700 -4.252 -5.402 1.00 0.00 H new ATOM 0 HA TYR A 67 -9.706 -5.536 -2.941 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -7.641 -3.317 -3.380 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -8.327 -3.674 -1.807 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -8.133 -6.295 -1.130 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -5.571 -4.311 -3.940 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -6.307 -7.864 -0.573 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -3.748 -5.885 -3.380 1.00 0.00 H new ATOM 0 HH TYR A 67 -3.678 -8.367 -2.435 1.00 0.00 H new ATOM 1033 N ASP A 68 -10.799 -3.258 -2.134 1.00 0.00 N ATOM 1034 CA ASP A 68 -11.673 -2.139 -1.792 1.00 0.00 C ATOM 1035 C ASP A 68 -11.011 -1.326 -0.698 1.00 0.00 C ATOM 1036 O ASP A 68 -11.441 -1.285 0.458 1.00 0.00 O ATOM 1037 CB ASP A 68 -13.090 -2.628 -1.394 1.00 0.00 C ATOM 1038 CG ASP A 68 -14.154 -1.545 -1.170 1.00 0.00 C ATOM 1039 OD1 ASP A 68 -14.056 -0.683 -0.308 1.00 0.00 O ATOM 1040 OD2 ASP A 68 -15.201 -1.641 -2.043 1.00 0.00 O ATOM 0 H ASP A 68 -10.506 -3.797 -1.319 1.00 0.00 H new ATOM 0 HA ASP A 68 -11.816 -1.501 -2.664 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -13.449 -3.302 -2.172 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -13.003 -3.215 -0.479 1.00 0.00 H new ATOM 1045 N LEU A 69 -9.920 -0.682 -1.067 1.00 0.00 N ATOM 1046 CA LEU A 69 -9.022 -0.024 -0.121 1.00 0.00 C ATOM 1047 C LEU A 69 -9.334 1.430 0.167 1.00 0.00 C ATOM 1048 O LEU A 69 -8.528 2.339 -0.133 1.00 0.00 O ATOM 1049 CB LEU A 69 -7.556 -0.159 -0.647 1.00 0.00 C ATOM 1050 CG LEU A 69 -7.147 -1.431 -1.436 1.00 0.00 C ATOM 1051 CD1 LEU A 69 -6.071 -1.142 -2.500 1.00 0.00 C ATOM 1052 CD2 LEU A 69 -6.627 -2.505 -0.470 1.00 0.00 C ATOM 0 H LEU A 69 -9.624 -0.597 -2.040 1.00 0.00 H new ATOM 0 HA LEU A 69 -9.163 -0.532 0.833 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -7.357 0.701 -1.286 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -6.891 -0.079 0.213 1.00 0.00 H new ATOM 0 HG LEU A 69 -8.039 -1.786 -1.952 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -5.820 -2.064 -3.024 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -6.452 -0.412 -3.214 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -5.178 -0.745 -2.016 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -6.342 -3.394 -1.033 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -5.759 -2.122 0.067 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -7.410 -2.763 0.243 1.00 0.00 H new ATOM 1064 N GLN A 70 -10.459 1.730 0.786 1.00 0.00 N ATOM 1065 CA GLN A 70 -10.738 3.065 1.308 1.00 0.00 C ATOM 1066 C GLN A 70 -10.286 3.153 2.752 1.00 0.00 C ATOM 1067 O GLN A 70 -10.769 3.938 3.575 1.00 0.00 O ATOM 1068 CB GLN A 70 -12.247 3.365 1.201 1.00 0.00 C ATOM 1069 CG GLN A 70 -13.182 2.121 1.020 1.00 0.00 C ATOM 1070 CD GLN A 70 -14.649 2.324 0.630 1.00 0.00 C ATOM 1071 OE1 GLN A 70 -15.116 1.800 -0.370 1.00 0.00 O ATOM 1072 NE2 GLN A 70 -15.421 3.090 1.358 1.00 0.00 N ATOM 0 H GLN A 70 -11.210 1.058 0.944 1.00 0.00 H new ATOM 0 HA GLN A 70 -10.192 3.803 0.721 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -12.556 3.899 2.099 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -12.405 4.039 0.359 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -12.729 1.481 0.263 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -13.168 1.564 1.957 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -15.051 3.537 2.197 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -16.393 3.240 1.087 1.00 0.00 H new ATOM 1081 N ASN A 71 -9.343 2.298 3.099 1.00 0.00 N ATOM 1082 CA ASN A 71 -8.857 2.056 4.454 1.00 0.00 C ATOM 1083 C ASN A 71 -7.419 2.484 4.635 1.00 0.00 C ATOM 1084 O ASN A 71 -7.007 2.963 5.698 1.00 0.00 O ATOM 1085 CB ASN A 71 -9.007 0.532 4.752 1.00 0.00 C ATOM 1086 CG ASN A 71 -10.265 0.101 5.511 1.00 0.00 C ATOM 1087 OD1 ASN A 71 -10.238 -0.631 6.487 1.00 0.00 O ATOM 1088 ND2 ASN A 71 -11.424 0.525 5.074 1.00 0.00 N ATOM 0 H ASN A 71 -8.866 1.719 2.408 1.00 0.00 H new ATOM 0 HA ASN A 71 -9.447 2.652 5.151 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -8.981 -0.004 3.804 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -8.137 0.210 5.324 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -12.282 0.243 5.548 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -11.469 1.138 4.260 1.00 0.00 H new ATOM 1095 N ALA A 72 -6.623 2.294 3.600 1.00 0.00 N ATOM 1096 CA ALA A 72 -5.178 2.498 3.662 1.00 0.00 C ATOM 1097 C ALA A 72 -4.816 3.952 3.880 1.00 0.00 C ATOM 1098 O ALA A 72 -5.592 4.887 3.659 1.00 0.00 O ATOM 1099 CB ALA A 72 -4.573 1.933 2.364 1.00 0.00 C ATOM 0 H ALA A 72 -6.957 1.992 2.685 1.00 0.00 H new ATOM 0 HA ALA A 72 -4.764 1.972 4.522 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -3.492 2.069 2.377 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -4.804 0.870 2.287 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -4.995 2.459 1.507 1.00 0.00 H new ATOM 1105 N ALA A 73 -3.578 4.157 4.310 1.00 0.00 N ATOM 1106 CA ALA A 73 -2.993 5.483 4.471 1.00 0.00 C ATOM 1107 C ALA A 73 -2.140 5.846 3.277 1.00 0.00 C ATOM 1108 O ALA A 73 -2.224 5.226 2.210 1.00 0.00 O ATOM 1109 CB ALA A 73 -2.203 5.486 5.792 1.00 0.00 C ATOM 0 H ALA A 73 -2.944 3.398 4.560 1.00 0.00 H new ATOM 0 HA ALA A 73 -3.768 6.248 4.519 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -1.751 6.466 5.943 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -2.877 5.265 6.620 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -1.420 4.728 5.750 1.00 0.00 H new ATOM 1115 N ILE A 74 -1.285 6.839 3.440 1.00 0.00 N ATOM 1116 CA ILE A 74 -0.479 7.360 2.337 1.00 0.00 C ATOM 1117 C ILE A 74 0.903 7.748 2.807 1.00 0.00 C ATOM 1118 O ILE A 74 1.089 8.222 3.939 1.00 0.00 O ATOM 1119 CB ILE A 74 -1.207 8.562 1.610 1.00 0.00 C ATOM 1120 CG1 ILE A 74 -2.540 8.179 0.890 1.00 0.00 C ATOM 1121 CG2 ILE A 74 -0.290 9.287 0.576 1.00 0.00 C ATOM 1122 CD1 ILE A 74 -3.698 9.188 1.038 1.00 0.00 C ATOM 0 H ILE A 74 -1.126 7.308 4.332 1.00 0.00 H new ATOM 0 HA ILE A 74 -0.362 6.562 1.604 1.00 0.00 H new ATOM 0 HB ILE A 74 -1.449 9.233 2.434 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -2.332 8.047 -0.172 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -2.873 7.214 1.272 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -0.842 10.102 0.109 1.00 0.00 H new ATOM 0 HG22 ILE A 74 0.587 9.688 1.085 1.00 0.00 H new ATOM 0 HG23 ILE A 74 0.027 8.578 -0.189 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -4.572 8.821 0.499 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -3.945 9.306 2.093 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -3.396 10.151 0.626 1.00 0.00 H new ATOM 1134 N GLU A 75 1.901 7.565 1.960 1.00 0.00 N ATOM 1135 CA GLU A 75 3.278 7.905 2.317 1.00 0.00 C ATOM 1136 C GLU A 75 4.202 7.863 1.121 1.00 0.00 C ATOM 1137 O GLU A 75 3.838 7.467 0.009 1.00 0.00 O ATOM 1138 CB GLU A 75 3.748 6.908 3.415 1.00 0.00 C ATOM 1139 CG GLU A 75 5.035 7.261 4.229 1.00 0.00 C ATOM 1140 CD GLU A 75 5.198 6.652 5.625 1.00 0.00 C ATOM 1141 OE1 GLU A 75 4.252 6.253 6.292 1.00 0.00 O ATOM 1142 OE2 GLU A 75 6.490 6.597 6.051 1.00 0.00 O ATOM 0 H GLU A 75 1.790 7.184 1.020 1.00 0.00 H new ATOM 0 HA GLU A 75 3.310 8.928 2.691 1.00 0.00 H new ATOM 0 HB2 GLU A 75 2.929 6.783 4.124 1.00 0.00 H new ATOM 0 HB3 GLU A 75 3.909 5.940 2.940 1.00 0.00 H new ATOM 0 HG2 GLU A 75 5.898 6.964 3.633 1.00 0.00 H new ATOM 0 HG3 GLU A 75 5.077 8.345 4.332 1.00 0.00 H new ATOM 1149 N ILE A 76 5.435 8.291 1.342 1.00 0.00 N ATOM 1150 CA ILE A 76 6.461 8.336 0.306 1.00 0.00 C ATOM 1151 C ILE A 76 7.658 7.496 0.690 1.00 0.00 C ATOM 1152 O ILE A 76 8.586 7.965 1.364 1.00 0.00 O ATOM 1153 CB ILE A 76 6.881 9.827 -0.027 1.00 0.00 C ATOM 1154 CG1 ILE A 76 5.748 10.884 0.170 1.00 0.00 C ATOM 1155 CG2 ILE A 76 7.446 9.989 -1.473 1.00 0.00 C ATOM 1156 CD1 ILE A 76 6.197 12.360 0.183 1.00 0.00 C ATOM 0 H ILE A 76 5.757 8.620 2.252 1.00 0.00 H new ATOM 0 HA ILE A 76 6.035 7.909 -0.602 1.00 0.00 H new ATOM 0 HB ILE A 76 7.662 10.027 0.706 1.00 0.00 H new ATOM 0 HG12 ILE A 76 5.015 10.755 -0.626 1.00 0.00 H new ATOM 0 HG13 ILE A 76 5.239 10.671 1.110 1.00 0.00 H new ATOM 0 HG21 ILE A 76 7.717 11.031 -1.643 1.00 0.00 H new ATOM 0 HG22 ILE A 76 8.329 9.361 -1.591 1.00 0.00 H new ATOM 0 HG23 ILE A 76 6.688 9.688 -2.196 1.00 0.00 H new ATOM 0 HD11 ILE A 76 5.329 13.003 0.326 1.00 0.00 H new ATOM 0 HD12 ILE A 76 6.904 12.518 0.998 1.00 0.00 H new ATOM 0 HD13 ILE A 76 6.676 12.603 -0.765 1.00 0.00 H new ATOM 1168 N ALA A 77 7.672 6.252 0.251 1.00 0.00 N ATOM 1169 CA ALA A 77 8.771 5.334 0.541 1.00 0.00 C ATOM 1170 C ALA A 77 9.096 5.316 2.016 1.00 0.00 C ATOM 1171 O ALA A 77 8.289 5.713 2.865 1.00 0.00 O ATOM 1172 CB ALA A 77 9.968 5.758 -0.327 1.00 0.00 C ATOM 0 H ALA A 77 6.928 5.845 -0.315 1.00 0.00 H new ATOM 0 HA ALA A 77 8.494 4.309 0.295 1.00 0.00 H new ATOM 0 HB1 ALA A 77 10.810 5.092 -0.136 1.00 0.00 H new ATOM 0 HB2 ALA A 77 9.692 5.701 -1.380 1.00 0.00 H new ATOM 0 HB3 ALA A 77 10.252 6.781 -0.081 1.00 0.00 H new ATOM 1178 N SER A 78 10.296 4.875 2.346 1.00 0.00 N ATOM 1179 CA SER A 78 10.729 4.777 3.738 1.00 0.00 C ATOM 1180 C SER A 78 12.119 4.192 3.837 1.00 0.00 C ATOM 1181 O SER A 78 12.982 4.663 4.585 1.00 0.00 O ATOM 1182 CB SER A 78 9.711 3.963 4.575 1.00 0.00 C ATOM 1183 OG SER A 78 10.251 3.511 5.822 1.00 0.00 O ATOM 0 H SER A 78 10.996 4.576 1.668 1.00 0.00 H new ATOM 0 HA SER A 78 10.769 5.785 4.151 1.00 0.00 H new ATOM 0 HB2 SER A 78 8.832 4.578 4.767 1.00 0.00 H new ATOM 0 HB3 SER A 78 9.378 3.102 3.996 1.00 0.00 H new ATOM 0 HG SER A 78 9.568 3.005 6.310 1.00 0.00 H new ATOM 1189 N ASP A 79 12.347 3.128 3.089 1.00 0.00 N ATOM 1190 CA ASP A 79 13.659 2.496 2.986 1.00 0.00 C ATOM 1191 C ASP A 79 14.002 2.215 1.540 1.00 0.00 C ATOM 1192 O ASP A 79 14.039 1.072 1.071 1.00 0.00 O ATOM 1193 CB ASP A 79 13.705 1.218 3.865 1.00 0.00 C ATOM 1194 CG ASP A 79 14.945 0.323 3.742 1.00 0.00 C ATOM 1195 OD1 ASP A 79 16.036 0.739 3.380 1.00 0.00 O ATOM 1196 OD2 ASP A 79 14.701 -0.974 4.102 1.00 0.00 O ATOM 0 H ASP A 79 11.626 2.672 2.531 1.00 0.00 H new ATOM 0 HA ASP A 79 14.420 3.179 3.364 1.00 0.00 H new ATOM 0 HB2 ASP A 79 13.611 1.522 4.907 1.00 0.00 H new ATOM 0 HB3 ASP A 79 12.829 0.614 3.629 1.00 0.00 H new ATOM 1201 N TYR A 80 14.284 3.276 0.807 1.00 0.00 N ATOM 1202 CA TYR A 80 14.483 3.231 -0.638 1.00 0.00 C ATOM 1203 C TYR A 80 15.940 3.104 -1.034 1.00 0.00 C ATOM 1204 O TYR A 80 16.885 3.329 -0.270 1.00 0.00 O ATOM 1205 CB TYR A 80 13.951 4.550 -1.290 1.00 0.00 C ATOM 1206 CG TYR A 80 14.510 5.837 -0.667 1.00 0.00 C ATOM 1207 CD1 TYR A 80 15.742 6.339 -1.098 1.00 0.00 C ATOM 1208 CD2 TYR A 80 13.808 6.504 0.341 1.00 0.00 C ATOM 1209 CE1 TYR A 80 16.307 7.443 -0.466 1.00 0.00 C ATOM 1210 CE2 TYR A 80 14.380 7.602 0.979 1.00 0.00 C ATOM 1211 CZ TYR A 80 15.636 8.059 0.587 1.00 0.00 C ATOM 1212 OH TYR A 80 16.206 9.118 1.236 1.00 0.00 O ATOM 0 H TYR A 80 14.384 4.211 1.201 1.00 0.00 H new ATOM 0 HA TYR A 80 13.942 2.351 -0.986 1.00 0.00 H new ATOM 0 HB2 TYR A 80 14.195 4.540 -2.352 1.00 0.00 H new ATOM 0 HB3 TYR A 80 12.864 4.566 -1.213 1.00 0.00 H new ATOM 0 HD1 TYR A 80 16.256 5.869 -1.923 1.00 0.00 H new ATOM 0 HD2 TYR A 80 12.822 6.168 0.625 1.00 0.00 H new ATOM 0 HE1 TYR A 80 17.265 7.821 -0.792 1.00 0.00 H new ATOM 0 HE2 TYR A 80 13.850 8.099 1.778 1.00 0.00 H new ATOM 0 HH TYR A 80 15.604 9.430 1.944 1.00 0.00 H new ATOM 1222 N THR A 81 16.144 2.752 -2.289 1.00 0.00 N ATOM 1223 CA THR A 81 17.437 2.730 -2.968 1.00 0.00 C ATOM 1224 C THR A 81 17.226 3.094 -4.423 1.00 0.00 C ATOM 1225 O THR A 81 17.148 2.232 -5.304 1.00 0.00 O ATOM 1226 CB THR A 81 18.143 1.339 -2.824 1.00 0.00 C ATOM 1227 OG1 THR A 81 19.321 1.296 -3.619 1.00 0.00 O ATOM 1228 CG2 THR A 81 17.327 0.107 -3.272 1.00 0.00 C ATOM 0 H THR A 81 15.379 2.459 -2.897 1.00 0.00 H new ATOM 0 HA THR A 81 18.099 3.460 -2.502 1.00 0.00 H new ATOM 0 HB THR A 81 18.315 1.271 -1.750 1.00 0.00 H new ATOM 0 HG1 THR A 81 19.752 0.422 -3.518 1.00 0.00 H new ATOM 0 HG21 THR A 81 17.920 -0.796 -3.125 1.00 0.00 H new ATOM 0 HG22 THR A 81 16.413 0.041 -2.681 1.00 0.00 H new ATOM 0 HG23 THR A 81 17.071 0.204 -4.327 1.00 0.00 H new ATOM 1236 N LYS A 82 17.105 4.382 -4.676 1.00 0.00 N ATOM 1237 CA LYS A 82 16.684 4.906 -5.971 1.00 0.00 C ATOM 1238 C LYS A 82 15.194 4.667 -6.155 1.00 0.00 C ATOM 1239 O LYS A 82 14.648 4.579 -7.260 1.00 0.00 O ATOM 1240 CB LYS A 82 17.530 4.259 -7.103 1.00 0.00 C ATOM 1241 CG LYS A 82 18.978 3.920 -6.664 1.00 0.00 C ATOM 1242 CD LYS A 82 20.075 4.502 -7.559 1.00 0.00 C ATOM 1243 CE LYS A 82 19.810 5.997 -7.778 1.00 0.00 C ATOM 1244 NZ LYS A 82 19.250 6.204 -9.126 1.00 0.00 N ATOM 0 H LYS A 82 17.297 5.106 -3.984 1.00 0.00 H new ATOM 0 HA LYS A 82 16.854 5.982 -6.015 1.00 0.00 H new ATOM 0 HB2 LYS A 82 17.037 3.348 -7.441 1.00 0.00 H new ATOM 0 HB3 LYS A 82 17.565 4.938 -7.955 1.00 0.00 H new ATOM 0 HG2 LYS A 82 19.128 4.283 -5.647 1.00 0.00 H new ATOM 0 HG3 LYS A 82 19.089 2.836 -6.636 1.00 0.00 H new ATOM 0 HD2 LYS A 82 21.052 4.358 -7.097 1.00 0.00 H new ATOM 0 HD3 LYS A 82 20.095 3.980 -8.516 1.00 0.00 H new ATOM 0 HE2 LYS A 82 19.117 6.369 -7.023 1.00 0.00 H new ATOM 0 HE3 LYS A 82 20.736 6.562 -7.666 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 19.975 6.622 -9.743 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 18.946 5.291 -9.519 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 18.433 6.845 -9.068 1.00 0.00 H new ATOM 1258 N LYS A 83 14.498 4.583 -5.037 1.00 0.00 N ATOM 1259 CA LYS A 83 13.046 4.457 -4.945 1.00 0.00 C ATOM 1260 C LYS A 83 12.435 5.622 -4.200 1.00 0.00 C ATOM 1261 O LYS A 83 11.229 5.658 -3.929 1.00 0.00 O ATOM 1262 CB LYS A 83 12.705 3.128 -4.215 1.00 0.00 C ATOM 1263 CG LYS A 83 13.156 1.857 -4.977 1.00 0.00 C ATOM 1264 CD LYS A 83 12.116 0.733 -5.020 1.00 0.00 C ATOM 1265 CE LYS A 83 12.677 -0.453 -5.815 1.00 0.00 C ATOM 1266 NZ LYS A 83 12.109 -0.447 -7.175 1.00 0.00 N ATOM 0 H LYS A 83 14.947 4.601 -4.121 1.00 0.00 H new ATOM 0 HA LYS A 83 12.631 4.455 -5.953 1.00 0.00 H new ATOM 0 HB2 LYS A 83 13.174 3.135 -3.231 1.00 0.00 H new ATOM 0 HB3 LYS A 83 11.628 3.080 -4.054 1.00 0.00 H new ATOM 0 HG2 LYS A 83 13.413 2.135 -5.999 1.00 0.00 H new ATOM 0 HG3 LYS A 83 14.065 1.475 -4.512 1.00 0.00 H new ATOM 0 HD2 LYS A 83 11.863 0.419 -4.008 1.00 0.00 H new ATOM 0 HD3 LYS A 83 11.196 1.092 -5.482 1.00 0.00 H new ATOM 0 HE2 LYS A 83 13.764 -0.390 -5.863 1.00 0.00 H new ATOM 0 HE3 LYS A 83 12.434 -1.389 -5.312 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 12.502 -1.241 -7.719 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 11.075 -0.544 -7.120 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 12.348 0.448 -7.647 1.00 0.00 H new ATOM 1280 N LYS A 84 13.246 6.601 -3.819 1.00 0.00 N ATOM 1281 CA LYS A 84 12.760 7.857 -3.215 1.00 0.00 C ATOM 1282 C LYS A 84 11.994 8.785 -4.148 1.00 0.00 C ATOM 1283 O LYS A 84 11.723 9.949 -3.847 1.00 0.00 O ATOM 1284 CB LYS A 84 13.981 8.626 -2.635 1.00 0.00 C ATOM 1285 CG LYS A 84 13.777 9.258 -1.240 1.00 0.00 C ATOM 1286 CD LYS A 84 12.341 9.612 -0.848 1.00 0.00 C ATOM 1287 CE LYS A 84 12.255 11.118 -0.562 1.00 0.00 C ATOM 1288 NZ LYS A 84 10.855 11.560 -0.684 1.00 0.00 N ATOM 0 H LYS A 84 14.260 6.557 -3.916 1.00 0.00 H new ATOM 0 HA LYS A 84 12.041 7.559 -2.452 1.00 0.00 H new ATOM 0 HB2 LYS A 84 14.827 7.940 -2.582 1.00 0.00 H new ATOM 0 HB3 LYS A 84 14.254 9.416 -3.334 1.00 0.00 H new ATOM 0 HG2 LYS A 84 14.173 8.570 -0.494 1.00 0.00 H new ATOM 0 HG3 LYS A 84 14.378 10.166 -1.187 1.00 0.00 H new ATOM 0 HD2 LYS A 84 11.655 9.342 -1.651 1.00 0.00 H new ATOM 0 HD3 LYS A 84 12.041 9.044 0.033 1.00 0.00 H new ATOM 0 HE2 LYS A 84 12.629 11.331 0.439 1.00 0.00 H new ATOM 0 HE3 LYS A 84 12.884 11.669 -1.261 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 10.795 12.580 -0.491 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 10.514 11.370 -1.648 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 10.267 11.043 0.000 1.00 0.00 H new ATOM 1302 N HIS A 85 11.664 8.262 -5.310 1.00 0.00 N ATOM 1303 CA HIS A 85 10.782 8.912 -6.271 1.00 0.00 C ATOM 1304 C HIS A 85 9.483 8.137 -6.373 1.00 0.00 C ATOM 1305 O HIS A 85 8.869 7.987 -7.433 1.00 0.00 O ATOM 1306 CB HIS A 85 11.528 8.914 -7.615 1.00 0.00 C ATOM 1307 CG HIS A 85 12.929 9.440 -7.492 1.00 0.00 C ATOM 1308 ND1 HIS A 85 13.321 10.758 -7.723 1.00 0.00 N ATOM 1309 CD2 HIS A 85 14.007 8.647 -7.125 1.00 0.00 C ATOM 1310 CE1 HIS A 85 14.640 10.652 -7.475 1.00 0.00 C ATOM 1311 NE2 HIS A 85 15.129 9.435 -7.112 1.00 0.00 N ATOM 0 H HIS A 85 12.006 7.354 -5.625 1.00 0.00 H new ATOM 0 HA HIS A 85 10.533 9.930 -5.971 1.00 0.00 H new ATOM 0 HB2 HIS A 85 11.557 7.899 -8.012 1.00 0.00 H new ATOM 0 HB3 HIS A 85 10.977 9.522 -8.333 1.00 0.00 H new ATOM 0 HD2 HIS A 85 13.969 7.593 -6.891 1.00 0.00 H new ATOM 0 HE1 HIS A 85 15.292 11.509 -7.562 1.00 0.00 H new ATOM 0 HE2 HIS A 85 16.089 9.174 -6.887 1.00 0.00 H new ATOM 1319 N VAL A 86 9.062 7.604 -5.236 1.00 0.00 N ATOM 1320 CA VAL A 86 7.927 6.688 -5.156 1.00 0.00 C ATOM 1321 C VAL A 86 6.857 7.172 -4.202 1.00 0.00 C ATOM 1322 O VAL A 86 7.126 7.816 -3.182 1.00 0.00 O ATOM 1323 CB VAL A 86 8.444 5.263 -4.705 1.00 0.00 C ATOM 1324 CG1 VAL A 86 8.658 5.067 -3.176 1.00 0.00 C ATOM 1325 CG2 VAL A 86 7.533 4.091 -5.146 1.00 0.00 C ATOM 0 H VAL A 86 9.500 7.794 -4.334 1.00 0.00 H new ATOM 0 HA VAL A 86 7.471 6.635 -6.145 1.00 0.00 H new ATOM 0 HB VAL A 86 9.407 5.240 -5.216 1.00 0.00 H new ATOM 0 HG11 VAL A 86 9.013 4.054 -2.985 1.00 0.00 H new ATOM 0 HG12 VAL A 86 9.397 5.784 -2.817 1.00 0.00 H new ATOM 0 HG13 VAL A 86 7.715 5.225 -2.653 1.00 0.00 H new ATOM 0 HG21 VAL A 86 7.957 3.149 -4.798 1.00 0.00 H new ATOM 0 HG22 VAL A 86 6.539 4.222 -4.718 1.00 0.00 H new ATOM 0 HG23 VAL A 86 7.460 4.076 -6.233 1.00 0.00 H new ATOM 1335 N LEU A 87 5.619 6.841 -4.513 1.00 0.00 N ATOM 1336 CA LEU A 87 4.482 7.073 -3.624 1.00 0.00 C ATOM 1337 C LEU A 87 3.954 5.755 -3.096 1.00 0.00 C ATOM 1338 O LEU A 87 4.198 4.691 -3.715 1.00 0.00 O ATOM 1339 CB LEU A 87 3.379 7.901 -4.346 1.00 0.00 C ATOM 1340 CG LEU A 87 2.266 7.118 -5.097 1.00 0.00 C ATOM 1341 CD1 LEU A 87 1.212 6.543 -4.136 1.00 0.00 C ATOM 1342 CD2 LEU A 87 1.587 8.025 -6.132 1.00 0.00 C ATOM 0 H LEU A 87 5.365 6.399 -5.396 1.00 0.00 H new ATOM 0 HA LEU A 87 4.813 7.661 -2.768 1.00 0.00 H new ATOM 0 HB2 LEU A 87 2.899 8.539 -3.604 1.00 0.00 H new ATOM 0 HB3 LEU A 87 3.869 8.559 -5.063 1.00 0.00 H new ATOM 0 HG LEU A 87 2.745 6.279 -5.602 1.00 0.00 H new ATOM 0 HD11 LEU A 87 0.455 6.005 -4.706 1.00 0.00 H new ATOM 0 HD12 LEU A 87 1.692 5.860 -3.435 1.00 0.00 H new ATOM 0 HD13 LEU A 87 0.740 7.356 -3.584 1.00 0.00 H new ATOM 0 HD21 LEU A 87 0.809 7.465 -6.652 1.00 0.00 H new ATOM 0 HD22 LEU A 87 1.142 8.883 -5.628 1.00 0.00 H new ATOM 0 HD23 LEU A 87 2.327 8.372 -6.853 1.00 0.00 H new ATOM 1354 N ARG A 88 3.262 5.740 -1.974 1.00 0.00 N ATOM 1355 CA ARG A 88 2.880 4.477 -1.332 1.00 0.00 C ATOM 1356 C ARG A 88 1.689 4.604 -0.411 1.00 0.00 C ATOM 1357 O ARG A 88 1.708 5.378 0.559 1.00 0.00 O ATOM 1358 CB ARG A 88 4.120 3.950 -0.557 1.00 0.00 C ATOM 1359 CG ARG A 88 3.893 2.771 0.425 1.00 0.00 C ATOM 1360 CD ARG A 88 5.203 2.328 1.099 1.00 0.00 C ATOM 1361 NE ARG A 88 5.324 3.038 2.397 1.00 0.00 N ATOM 1362 CZ ARG A 88 5.874 2.544 3.499 1.00 0.00 C ATOM 1363 NH1 ARG A 88 6.393 1.356 3.590 1.00 0.00 N ATOM 1364 NH2 ARG A 88 5.891 3.295 4.542 1.00 0.00 N ATOM 0 H ARG A 88 2.950 6.578 -1.483 1.00 0.00 H new ATOM 0 HA ARG A 88 2.568 3.777 -2.107 1.00 0.00 H new ATOM 0 HB2 ARG A 88 4.869 3.643 -1.287 1.00 0.00 H new ATOM 0 HB3 ARG A 88 4.545 4.781 0.005 1.00 0.00 H new ATOM 0 HG2 ARG A 88 3.174 3.067 1.188 1.00 0.00 H new ATOM 0 HG3 ARG A 88 3.458 1.929 -0.113 1.00 0.00 H new ATOM 0 HD2 ARG A 88 5.204 1.249 1.255 1.00 0.00 H new ATOM 0 HD3 ARG A 88 6.055 2.558 0.460 1.00 0.00 H new ATOM 0 HE ARG A 88 4.953 3.987 2.446 1.00 0.00 H new ATOM 0 HH11 ARG A 88 6.394 0.737 2.780 1.00 0.00 H new ATOM 0 HH12 ARG A 88 6.799 1.043 4.472 1.00 0.00 H new ATOM 0 HH21 ARG A 88 5.491 4.232 4.502 1.00 0.00 H new ATOM 0 HH22 ARG A 88 6.304 2.953 5.410 1.00 0.00 H new ATOM 1378 N VAL A 89 0.621 3.872 -0.686 1.00 0.00 N ATOM 1379 CA VAL A 89 -0.509 3.790 0.249 1.00 0.00 C ATOM 1380 C VAL A 89 -0.478 2.455 0.959 1.00 0.00 C ATOM 1381 O VAL A 89 -0.463 1.386 0.334 1.00 0.00 O ATOM 1382 CB VAL A 89 -1.905 4.012 -0.462 1.00 0.00 C ATOM 1383 CG1 VAL A 89 -2.046 3.473 -1.914 1.00 0.00 C ATOM 1384 CG2 VAL A 89 -3.101 3.412 0.321 1.00 0.00 C ATOM 0 H VAL A 89 0.505 3.327 -1.540 1.00 0.00 H new ATOM 0 HA VAL A 89 -0.400 4.597 0.974 1.00 0.00 H new ATOM 0 HB VAL A 89 -1.930 5.101 -0.488 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -3.048 3.688 -2.286 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -1.309 3.957 -2.555 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -1.881 2.396 -1.920 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -4.025 3.602 -0.225 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -2.960 2.337 0.433 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -3.160 3.875 1.306 1.00 0.00 H new ATOM 1394 N LYS A 90 -0.441 2.500 2.277 1.00 0.00 N ATOM 1395 CA LYS A 90 -0.249 1.303 3.094 1.00 0.00 C ATOM 1396 C LYS A 90 -1.546 0.816 3.702 1.00 0.00 C ATOM 1397 O LYS A 90 -2.405 1.585 4.144 1.00 0.00 O ATOM 1398 CB LYS A 90 0.798 1.608 4.201 1.00 0.00 C ATOM 1399 CG LYS A 90 0.731 0.657 5.421 1.00 0.00 C ATOM 1400 CD LYS A 90 1.718 0.988 6.545 1.00 0.00 C ATOM 1401 CE LYS A 90 2.301 -0.315 7.109 1.00 0.00 C ATOM 1402 NZ LYS A 90 1.339 -0.917 8.048 1.00 0.00 N ATOM 0 H LYS A 90 -0.542 3.360 2.816 1.00 0.00 H new ATOM 0 HA LYS A 90 0.115 0.501 2.452 1.00 0.00 H new ATOM 0 HB2 LYS A 90 1.796 1.552 3.766 1.00 0.00 H new ATOM 0 HB3 LYS A 90 0.657 2.632 4.546 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -0.281 0.678 5.826 1.00 0.00 H new ATOM 0 HG3 LYS A 90 0.917 -0.362 5.081 1.00 0.00 H new ATOM 0 HD2 LYS A 90 2.518 1.624 6.166 1.00 0.00 H new ATOM 0 HD3 LYS A 90 1.214 1.546 7.334 1.00 0.00 H new ATOM 0 HE2 LYS A 90 2.517 -1.010 6.298 1.00 0.00 H new ATOM 0 HE3 LYS A 90 3.244 -0.114 7.617 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 1.726 -1.809 8.418 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 1.167 -0.261 8.836 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 0.444 -1.107 7.554 1.00 0.00 H new ATOM 1416 N LEU A 91 -1.686 -0.499 3.748 1.00 0.00 N ATOM 1417 CA LEU A 91 -2.825 -1.151 4.386 1.00 0.00 C ATOM 1418 C LEU A 91 -2.485 -1.592 5.791 1.00 0.00 C ATOM 1419 O LEU A 91 -1.380 -1.368 6.296 1.00 0.00 O ATOM 1420 CB LEU A 91 -3.309 -2.356 3.529 1.00 0.00 C ATOM 1421 CG LEU A 91 -4.488 -2.134 2.540 1.00 0.00 C ATOM 1422 CD1 LEU A 91 -5.027 -3.458 1.968 1.00 0.00 C ATOM 1423 CD2 LEU A 91 -5.623 -1.367 3.234 1.00 0.00 C ATOM 0 H LEU A 91 -1.012 -1.149 3.343 1.00 0.00 H new ATOM 0 HA LEU A 91 -3.637 -0.427 4.454 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -2.457 -2.718 2.954 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -3.595 -3.156 4.212 1.00 0.00 H new ATOM 0 HG LEU A 91 -4.103 -1.548 1.706 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -5.849 -3.251 1.283 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -4.230 -3.974 1.433 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -5.384 -4.088 2.783 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -6.443 -1.217 2.532 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -5.978 -1.940 4.091 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -5.254 -0.399 3.573 1.00 0.00 H new ATOM 1435 N ALA A 92 -3.431 -2.248 6.436 1.00 0.00 N ATOM 1436 CA ALA A 92 -3.223 -2.814 7.767 1.00 0.00 C ATOM 1437 C ALA A 92 -3.147 -4.325 7.732 1.00 0.00 C ATOM 1438 O ALA A 92 -2.802 -4.960 8.750 1.00 0.00 O ATOM 1439 CB ALA A 92 -4.364 -2.305 8.666 1.00 0.00 C ATOM 0 H ALA A 92 -4.365 -2.406 6.058 1.00 0.00 H new ATOM 0 HA ALA A 92 -2.263 -2.491 8.170 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -4.242 -2.708 9.671 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -4.338 -1.216 8.706 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -5.321 -2.630 8.258 1.00 0.00 H new ATOM 1445 N ASN A 93 -3.474 -4.950 6.618 1.00 0.00 N ATOM 1446 CA ASN A 93 -3.333 -6.402 6.481 1.00 0.00 C ATOM 1447 C ASN A 93 -1.884 -6.803 6.333 1.00 0.00 C ATOM 1448 O ASN A 93 -1.491 -7.935 6.657 1.00 0.00 O ATOM 1449 CB ASN A 93 -4.165 -6.894 5.261 1.00 0.00 C ATOM 1450 CG ASN A 93 -3.437 -6.994 3.916 1.00 0.00 C ATOM 1451 OD1 ASN A 93 -3.770 -6.170 2.959 1.00 0.00 O flip ATOM 1452 ND2 ASN A 93 -2.571 -7.829 3.703 1.00 0.00 N flip ATOM 0 H ASN A 93 -3.840 -4.482 5.789 1.00 0.00 H new ATOM 0 HA ASN A 93 -3.711 -6.873 7.388 1.00 0.00 H new ATOM 0 HB2 ASN A 93 -4.569 -7.877 5.501 1.00 0.00 H new ATOM 0 HB3 ASN A 93 -5.014 -6.222 5.137 1.00 0.00 H new ATOM 0 HD21 ASN A 93 -2.299 -8.480 4.439 1.00 0.00 H new ATOM 0 HD22 ASN A 93 -2.120 -7.875 2.789 1.00 0.00 H new ATOM 1459 N GLY A 94 -1.057 -5.899 5.846 1.00 0.00 N ATOM 1460 CA GLY A 94 0.384 -6.142 5.764 1.00 0.00 C ATOM 1461 C GLY A 94 0.934 -5.668 4.440 1.00 0.00 C ATOM 1462 O GLY A 94 1.986 -5.022 4.362 1.00 0.00 O ATOM 0 H GLY A 94 -1.351 -4.986 5.499 1.00 0.00 H new ATOM 0 HA2 GLY A 94 0.891 -5.626 6.579 1.00 0.00 H new ATOM 0 HA3 GLY A 94 0.585 -7.206 5.886 1.00 0.00 H new ATOM 1466 N ALA A 95 0.215 -5.966 3.374 1.00 0.00 N ATOM 1467 CA ALA A 95 0.675 -5.670 2.020 1.00 0.00 C ATOM 1468 C ALA A 95 0.541 -4.197 1.714 1.00 0.00 C ATOM 1469 O ALA A 95 -0.387 -3.518 2.170 1.00 0.00 O ATOM 1470 CB ALA A 95 -0.128 -6.556 1.051 1.00 0.00 C ATOM 0 H ALA A 95 -0.699 -6.417 3.416 1.00 0.00 H new ATOM 0 HA ALA A 95 1.736 -5.896 1.911 1.00 0.00 H new ATOM 0 HB1 ALA A 95 0.192 -6.359 0.028 1.00 0.00 H new ATOM 0 HB2 ALA A 95 0.045 -7.605 1.290 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -1.190 -6.332 1.148 1.00 0.00 H new ATOM 1476 N LEU A 96 1.461 -3.677 0.923 1.00 0.00 N ATOM 1477 CA LEU A 96 1.484 -2.252 0.601 1.00 0.00 C ATOM 1478 C LEU A 96 1.593 -2.038 -0.890 1.00 0.00 C ATOM 1479 O LEU A 96 1.848 -2.964 -1.668 1.00 0.00 O ATOM 1480 CB LEU A 96 2.643 -1.532 1.349 1.00 0.00 C ATOM 1481 CG LEU A 96 3.675 -2.401 2.116 1.00 0.00 C ATOM 1482 CD1 LEU A 96 4.861 -2.739 1.200 1.00 0.00 C ATOM 1483 CD2 LEU A 96 4.192 -1.722 3.395 1.00 0.00 C ATOM 0 H LEU A 96 2.208 -4.218 0.487 1.00 0.00 H new ATOM 0 HA LEU A 96 0.543 -1.816 0.937 1.00 0.00 H new ATOM 0 HB2 LEU A 96 3.189 -0.934 0.619 1.00 0.00 H new ATOM 0 HB3 LEU A 96 2.198 -0.837 2.062 1.00 0.00 H new ATOM 0 HG LEU A 96 3.158 -3.312 2.418 1.00 0.00 H new ATOM 0 HD11 LEU A 96 5.580 -3.349 1.746 1.00 0.00 H new ATOM 0 HD12 LEU A 96 4.504 -3.291 0.331 1.00 0.00 H new ATOM 0 HD13 LEU A 96 5.342 -1.817 0.872 1.00 0.00 H new ATOM 0 HD21 LEU A 96 4.910 -2.376 3.889 1.00 0.00 H new ATOM 0 HD22 LEU A 96 4.677 -0.780 3.137 1.00 0.00 H new ATOM 0 HD23 LEU A 96 3.356 -1.527 4.067 1.00 0.00 H new ATOM 1495 N PHE A 97 1.409 -0.798 -1.309 1.00 0.00 N ATOM 1496 CA PHE A 97 1.346 -0.464 -2.728 1.00 0.00 C ATOM 1497 C PHE A 97 2.265 0.691 -3.055 1.00 0.00 C ATOM 1498 O PHE A 97 1.847 1.860 -3.038 1.00 0.00 O ATOM 1499 CB PHE A 97 -0.109 -0.068 -3.120 1.00 0.00 C ATOM 1500 CG PHE A 97 -1.202 -1.115 -2.855 1.00 0.00 C ATOM 1501 CD1 PHE A 97 -1.146 -2.376 -3.453 1.00 0.00 C ATOM 1502 CD2 PHE A 97 -2.284 -0.791 -2.029 1.00 0.00 C ATOM 1503 CE1 PHE A 97 -2.154 -3.307 -3.216 1.00 0.00 C ATOM 1504 CE2 PHE A 97 -3.289 -1.722 -1.790 1.00 0.00 C ATOM 1505 CZ PHE A 97 -3.221 -2.983 -2.379 1.00 0.00 C ATOM 0 H PHE A 97 1.300 0.001 -0.685 1.00 0.00 H new ATOM 0 HA PHE A 97 1.661 -1.343 -3.290 1.00 0.00 H new ATOM 0 HB2 PHE A 97 -0.371 0.842 -2.581 1.00 0.00 H new ATOM 0 HB3 PHE A 97 -0.121 0.176 -4.182 1.00 0.00 H new ATOM 0 HD1 PHE A 97 -0.319 -2.629 -4.100 1.00 0.00 H new ATOM 0 HD2 PHE A 97 -2.339 0.187 -1.575 1.00 0.00 H new ATOM 0 HE1 PHE A 97 -2.109 -4.281 -3.681 1.00 0.00 H new ATOM 0 HE2 PHE A 97 -4.120 -1.468 -1.149 1.00 0.00 H new ATOM 0 HZ PHE A 97 -3.996 -3.710 -2.187 1.00 0.00 H new ATOM 1515 N LEU A 98 3.510 0.397 -3.378 1.00 0.00 N ATOM 1516 CA LEU A 98 4.469 1.408 -3.822 1.00 0.00 C ATOM 1517 C LEU A 98 4.240 1.765 -5.271 1.00 0.00 C ATOM 1518 O LEU A 98 3.737 0.951 -6.063 1.00 0.00 O ATOM 1519 CB LEU A 98 5.934 0.926 -3.608 1.00 0.00 C ATOM 1520 CG LEU A 98 6.433 0.693 -2.156 1.00 0.00 C ATOM 1521 CD1 LEU A 98 7.324 1.839 -1.645 1.00 0.00 C ATOM 1522 CD2 LEU A 98 5.243 0.503 -1.206 1.00 0.00 C ATOM 0 H LEU A 98 3.892 -0.548 -3.342 1.00 0.00 H new ATOM 0 HA LEU A 98 4.313 2.301 -3.216 1.00 0.00 H new ATOM 0 HB2 LEU A 98 6.059 -0.008 -4.155 1.00 0.00 H new ATOM 0 HB3 LEU A 98 6.595 1.658 -4.072 1.00 0.00 H new ATOM 0 HG LEU A 98 7.041 -0.212 -2.175 1.00 0.00 H new ATOM 0 HD11 LEU A 98 7.644 1.624 -0.626 1.00 0.00 H new ATOM 0 HD12 LEU A 98 8.199 1.934 -2.288 1.00 0.00 H new ATOM 0 HD13 LEU A 98 6.761 2.772 -1.659 1.00 0.00 H new ATOM 0 HD21 LEU A 98 5.609 0.341 -0.192 1.00 0.00 H new ATOM 0 HD22 LEU A 98 4.615 1.394 -1.227 1.00 0.00 H new ATOM 0 HD23 LEU A 98 4.658 -0.361 -1.523 1.00 0.00 H new ATOM 1534 N LEU A 99 4.623 2.968 -5.660 1.00 0.00 N ATOM 1535 CA LEU A 99 4.411 3.425 -7.034 1.00 0.00 C ATOM 1536 C LEU A 99 5.590 4.204 -7.571 1.00 0.00 C ATOM 1537 O LEU A 99 5.871 5.330 -7.142 1.00 0.00 O ATOM 1538 CB LEU A 99 3.114 4.279 -7.138 1.00 0.00 C ATOM 1539 CG LEU A 99 2.006 4.117 -6.056 1.00 0.00 C ATOM 1540 CD1 LEU A 99 0.787 4.974 -6.450 1.00 0.00 C ATOM 1541 CD2 LEU A 99 1.562 2.662 -5.852 1.00 0.00 C ATOM 0 H LEU A 99 5.081 3.648 -5.052 1.00 0.00 H new ATOM 0 HA LEU A 99 4.302 2.531 -7.648 1.00 0.00 H new ATOM 0 HB2 LEU A 99 3.412 5.327 -7.147 1.00 0.00 H new ATOM 0 HB3 LEU A 99 2.660 4.068 -8.106 1.00 0.00 H new ATOM 0 HG LEU A 99 2.433 4.450 -5.110 1.00 0.00 H new ATOM 0 HD11 LEU A 99 0.007 4.865 -5.696 1.00 0.00 H new ATOM 0 HD12 LEU A 99 1.084 6.021 -6.516 1.00 0.00 H new ATOM 0 HD13 LEU A 99 0.407 4.643 -7.416 1.00 0.00 H new ATOM 0 HD21 LEU A 99 0.789 2.622 -5.085 1.00 0.00 H new ATOM 0 HD22 LEU A 99 1.166 2.268 -6.788 1.00 0.00 H new ATOM 0 HD23 LEU A 99 2.416 2.062 -5.538 1.00 0.00 H new ATOM 1553 N GLN A 100 6.285 3.632 -8.535 1.00 0.00 N ATOM 1554 CA GLN A 100 7.333 4.334 -9.275 1.00 0.00 C ATOM 1555 C GLN A 100 6.829 4.667 -10.664 1.00 0.00 C ATOM 1556 O GLN A 100 6.976 3.887 -11.611 1.00 0.00 O ATOM 1557 CB GLN A 100 8.605 3.460 -9.323 1.00 0.00 C ATOM 1558 CG GLN A 100 9.953 4.220 -9.564 1.00 0.00 C ATOM 1559 CD GLN A 100 11.280 3.525 -9.239 1.00 0.00 C ATOM 1560 OE1 GLN A 100 11.941 3.843 -8.155 1.00 0.00 O flip ATOM 1561 NE2 GLN A 100 11.750 2.681 -9.988 1.00 0.00 N flip ATOM 0 H GLN A 100 6.144 2.667 -8.833 1.00 0.00 H new ATOM 0 HA GLN A 100 7.588 5.268 -8.775 1.00 0.00 H new ATOM 0 HB2 GLN A 100 8.682 2.914 -8.383 1.00 0.00 H new ATOM 0 HB3 GLN A 100 8.483 2.719 -10.113 1.00 0.00 H new ATOM 0 HG2 GLN A 100 9.983 4.506 -10.615 1.00 0.00 H new ATOM 0 HG3 GLN A 100 9.916 5.142 -8.984 1.00 0.00 H new ATOM 0 HE21 GLN A 100 11.251 2.419 -10.838 1.00 0.00 H new ATOM 0 HE22 GLN A 100 12.641 2.239 -9.763 1.00 0.00 H new ATOM 1570 N ALA A 101 6.212 5.827 -10.787 1.00 0.00 N ATOM 1571 CA ALA A 101 5.507 6.225 -12.004 1.00 0.00 C ATOM 1572 C ALA A 101 6.444 6.731 -13.081 1.00 0.00 C ATOM 1573 O ALA A 101 7.667 6.575 -13.042 1.00 0.00 O ATOM 1574 CB ALA A 101 4.456 7.278 -11.602 1.00 0.00 C ATOM 0 H ALA A 101 6.182 6.527 -10.046 1.00 0.00 H new ATOM 0 HA ALA A 101 5.019 5.358 -12.449 1.00 0.00 H new ATOM 0 HB1 ALA A 101 3.907 7.601 -12.487 1.00 0.00 H new ATOM 0 HB2 ALA A 101 3.762 6.843 -10.883 1.00 0.00 H new ATOM 0 HB3 ALA A 101 4.955 8.136 -11.151 1.00 0.00 H new ATOM 1580 N HIS A 102 5.852 7.384 -14.071 1.00 0.00 N ATOM 1581 CA HIS A 102 6.560 7.811 -15.274 1.00 0.00 C ATOM 1582 C HIS A 102 7.281 9.125 -15.072 1.00 0.00 C ATOM 1583 O HIS A 102 8.468 9.148 -14.693 1.00 0.00 O ATOM 1584 CB HIS A 102 5.488 7.952 -16.371 1.00 0.00 C ATOM 1585 CG HIS A 102 5.457 6.772 -17.298 1.00 0.00 C ATOM 1586 ND1 HIS A 102 6.547 5.977 -17.642 1.00 0.00 N ATOM 1587 CD2 HIS A 102 4.296 6.343 -17.927 1.00 0.00 C ATOM 1588 CE1 HIS A 102 5.945 5.111 -18.479 1.00 0.00 C ATOM 1589 NE2 HIS A 102 4.610 5.255 -18.700 1.00 0.00 N ATOM 0 H HIS A 102 4.863 7.634 -14.064 1.00 0.00 H new ATOM 0 HA HIS A 102 7.327 7.084 -15.541 1.00 0.00 H new ATOM 0 HB2 HIS A 102 4.510 8.070 -15.906 1.00 0.00 H new ATOM 0 HB3 HIS A 102 5.679 8.858 -16.947 1.00 0.00 H new ATOM 0 HD2 HIS A 102 3.317 6.788 -17.825 1.00 0.00 H new ATOM 0 HE1 HIS A 102 6.506 4.324 -18.961 1.00 0.00 H new ATOM 0 HE2 HIS A 102 3.997 4.694 -19.292 1.00 0.00 H new ATOM 1597 N ASP A 103 6.626 10.241 -15.327 1.00 0.00 N ATOM 1598 CA ASP A 103 7.289 11.542 -15.327 1.00 0.00 C ATOM 1599 C ASP A 103 7.235 12.176 -13.957 1.00 0.00 C ATOM 1600 O ASP A 103 7.235 11.487 -12.928 1.00 0.00 O ATOM 1601 CB ASP A 103 6.660 12.459 -16.409 1.00 0.00 C ATOM 1602 CG ASP A 103 6.337 11.812 -17.764 1.00 0.00 C ATOM 1603 OD1 ASP A 103 7.093 11.037 -18.331 1.00 0.00 O ATOM 1604 OD2 ASP A 103 5.129 12.210 -18.268 1.00 0.00 O ATOM 0 H ASP A 103 5.629 10.278 -15.539 1.00 0.00 H new ATOM 0 HA ASP A 103 8.341 11.401 -15.573 1.00 0.00 H new ATOM 0 HB2 ASP A 103 5.739 12.878 -16.005 1.00 0.00 H new ATOM 0 HB3 ASP A 103 7.340 13.293 -16.584 1.00 0.00 H new ATOM 1609 N ASP A 104 7.214 13.492 -13.914 1.00 0.00 N ATOM 1610 CA ASP A 104 6.969 14.232 -12.681 1.00 0.00 C ATOM 1611 C ASP A 104 5.515 14.639 -12.593 1.00 0.00 C ATOM 1612 O ASP A 104 4.970 14.857 -11.502 1.00 0.00 O ATOM 1613 CB ASP A 104 7.909 15.461 -12.580 1.00 0.00 C ATOM 1614 CG ASP A 104 9.406 15.231 -12.824 1.00 0.00 C ATOM 1615 OD1 ASP A 104 10.084 14.899 -11.682 1.00 0.00 O ATOM 1616 OD2 ASP A 104 9.927 15.319 -13.926 1.00 0.00 O ATOM 0 H ASP A 104 7.366 14.085 -14.730 1.00 0.00 H new ATOM 0 HA ASP A 104 7.189 13.582 -11.834 1.00 0.00 H new ATOM 0 HB2 ASP A 104 7.563 16.208 -13.294 1.00 0.00 H new ATOM 0 HB3 ASP A 104 7.793 15.892 -11.586 1.00 0.00 H new ATOM 1621 N THR A 105 4.854 14.727 -13.736 1.00 0.00 N ATOM 1622 CA THR A 105 3.415 15.011 -13.756 1.00 0.00 C ATOM 1623 C THR A 105 2.664 13.832 -13.186 1.00 0.00 C ATOM 1624 O THR A 105 2.014 13.921 -12.137 1.00 0.00 O ATOM 1625 CB THR A 105 2.928 15.361 -15.203 1.00 0.00 C ATOM 1626 OG1 THR A 105 3.811 16.293 -15.813 1.00 0.00 O ATOM 1627 CG2 THR A 105 1.534 16.016 -15.316 1.00 0.00 C ATOM 0 H THR A 105 5.278 14.609 -14.656 1.00 0.00 H new ATOM 0 HA THR A 105 3.214 15.885 -13.136 1.00 0.00 H new ATOM 0 HB THR A 105 2.894 14.383 -15.684 1.00 0.00 H new ATOM 0 HG1 THR A 105 3.494 16.500 -16.717 1.00 0.00 H new ATOM 0 HG21 THR A 105 1.308 16.211 -16.364 1.00 0.00 H new ATOM 0 HG22 THR A 105 0.782 15.345 -14.901 1.00 0.00 H new ATOM 0 HG23 THR A 105 1.527 16.955 -14.763 1.00 0.00 H new ATOM 1635 N GLU A 106 2.724 12.717 -13.886 1.00 0.00 N ATOM 1636 CA GLU A 106 2.208 11.451 -13.376 1.00 0.00 C ATOM 1637 C GLU A 106 2.619 11.211 -11.944 1.00 0.00 C ATOM 1638 O GLU A 106 1.812 10.715 -11.134 1.00 0.00 O ATOM 1639 CB GLU A 106 2.746 10.309 -14.284 1.00 0.00 C ATOM 1640 CG GLU A 106 1.802 9.838 -15.444 1.00 0.00 C ATOM 1641 CD GLU A 106 2.240 10.070 -16.890 1.00 0.00 C ATOM 1642 OE1 GLU A 106 2.174 11.377 -17.277 1.00 0.00 O ATOM 1643 OE2 GLU A 106 2.613 9.172 -17.632 1.00 0.00 O ATOM 0 H GLU A 106 3.129 12.657 -14.820 1.00 0.00 H new ATOM 0 HA GLU A 106 1.119 11.480 -13.393 1.00 0.00 H new ATOM 0 HB2 GLU A 106 3.689 10.636 -14.722 1.00 0.00 H new ATOM 0 HB3 GLU A 106 2.969 9.448 -13.654 1.00 0.00 H new ATOM 0 HG2 GLU A 106 1.633 8.769 -15.318 1.00 0.00 H new ATOM 0 HG3 GLU A 106 0.840 10.331 -15.307 1.00 0.00 H new ATOM 1650 N MET A 107 3.844 11.569 -11.593 1.00 0.00 N ATOM 1651 CA MET A 107 4.361 11.197 -10.272 1.00 0.00 C ATOM 1652 C MET A 107 3.464 11.746 -9.186 1.00 0.00 C ATOM 1653 O MET A 107 3.092 11.078 -8.215 1.00 0.00 O ATOM 1654 CB MET A 107 5.819 11.693 -10.081 1.00 0.00 C ATOM 1655 CG MET A 107 6.420 11.477 -8.674 1.00 0.00 C ATOM 1656 SD MET A 107 6.057 12.892 -7.621 1.00 0.00 S ATOM 1657 CE MET A 107 7.083 12.441 -6.214 1.00 0.00 C ATOM 0 H MET A 107 4.487 12.101 -12.179 1.00 0.00 H new ATOM 0 HA MET A 107 4.368 10.109 -10.203 1.00 0.00 H new ATOM 0 HB2 MET A 107 6.454 11.188 -10.809 1.00 0.00 H new ATOM 0 HB3 MET A 107 5.855 12.758 -10.312 1.00 0.00 H new ATOM 0 HG2 MET A 107 6.010 10.569 -8.231 1.00 0.00 H new ATOM 0 HG3 MET A 107 7.498 11.337 -8.748 1.00 0.00 H new ATOM 0 HE1 MET A 107 6.995 13.204 -5.440 1.00 0.00 H new ATOM 0 HE2 MET A 107 6.754 11.481 -5.816 1.00 0.00 H new ATOM 0 HE3 MET A 107 8.123 12.365 -6.532 1.00 0.00 H new ATOM 1667 N SER A 108 3.075 13.001 -9.361 1.00 0.00 N ATOM 1668 CA SER A 108 2.229 13.709 -8.406 1.00 0.00 C ATOM 1669 C SER A 108 0.762 13.573 -8.746 1.00 0.00 C ATOM 1670 O SER A 108 -0.109 13.839 -7.896 1.00 0.00 O ATOM 1671 CB SER A 108 2.646 15.199 -8.307 1.00 0.00 C ATOM 1672 OG SER A 108 4.042 15.402 -8.552 1.00 0.00 O ATOM 0 H SER A 108 3.338 13.561 -10.172 1.00 0.00 H new ATOM 0 HA SER A 108 2.374 13.247 -7.430 1.00 0.00 H new ATOM 0 HB2 SER A 108 2.068 15.782 -9.024 1.00 0.00 H new ATOM 0 HB3 SER A 108 2.397 15.576 -7.315 1.00 0.00 H new ATOM 0 HG SER A 108 4.551 14.647 -8.189 1.00 0.00 H new ATOM 1678 N GLN A 109 0.429 13.191 -9.964 1.00 0.00 N ATOM 1679 CA GLN A 109 -0.962 12.924 -10.337 1.00 0.00 C ATOM 1680 C GLN A 109 -1.443 11.625 -9.731 1.00 0.00 C ATOM 1681 O GLN A 109 -2.626 11.408 -9.452 1.00 0.00 O ATOM 1682 CB GLN A 109 -1.065 12.900 -11.877 1.00 0.00 C ATOM 1683 CG GLN A 109 -1.189 14.295 -12.577 1.00 0.00 C ATOM 1684 CD GLN A 109 -2.181 15.326 -12.022 1.00 0.00 C ATOM 1685 OE1 GLN A 109 -3.341 15.355 -12.401 1.00 0.00 O ATOM 1686 NE2 GLN A 109 -1.785 16.200 -11.132 1.00 0.00 N ATOM 0 H GLN A 109 1.100 13.056 -10.720 1.00 0.00 H new ATOM 0 HA GLN A 109 -1.605 13.713 -9.947 1.00 0.00 H new ATOM 0 HB2 GLN A 109 -0.184 12.394 -12.273 1.00 0.00 H new ATOM 0 HB3 GLN A 109 -1.930 12.298 -12.154 1.00 0.00 H new ATOM 0 HG2 GLN A 109 -0.201 14.754 -12.570 1.00 0.00 H new ATOM 0 HG3 GLN A 109 -1.451 14.117 -13.620 1.00 0.00 H new ATOM 0 HE21 GLN A 109 -0.819 16.191 -10.803 1.00 0.00 H new ATOM 0 HE22 GLN A 109 -2.442 16.890 -10.767 1.00 0.00 H new ATOM 1695 N TRP A 110 -0.517 10.703 -9.541 1.00 0.00 N ATOM 1696 CA TRP A 110 -0.703 9.446 -8.829 1.00 0.00 C ATOM 1697 C TRP A 110 -0.695 9.654 -7.337 1.00 0.00 C ATOM 1698 O TRP A 110 -1.376 8.949 -6.585 1.00 0.00 O ATOM 1699 CB TRP A 110 0.479 8.500 -9.203 1.00 0.00 C ATOM 1700 CG TRP A 110 0.284 7.659 -10.471 1.00 0.00 C ATOM 1701 CD1 TRP A 110 0.919 7.816 -11.718 1.00 0.00 C ATOM 1702 CD2 TRP A 110 -0.488 6.513 -10.584 1.00 0.00 C ATOM 1703 NE1 TRP A 110 0.568 6.785 -12.614 1.00 0.00 N ATOM 1704 CE2 TRP A 110 -0.303 5.990 -11.886 1.00 0.00 C ATOM 1705 CE3 TRP A 110 -1.331 5.852 -9.646 1.00 0.00 C ATOM 1706 CZ2 TRP A 110 -0.952 4.792 -12.260 1.00 0.00 C ATOM 1707 CZ3 TRP A 110 -1.906 4.640 -10.021 1.00 0.00 C ATOM 1708 CH2 TRP A 110 -1.759 4.139 -11.322 1.00 0.00 C ATOM 0 H TRP A 110 0.433 10.813 -9.895 1.00 0.00 H new ATOM 0 HA TRP A 110 -1.666 9.020 -9.112 1.00 0.00 H new ATOM 0 HB2 TRP A 110 1.378 9.104 -9.325 1.00 0.00 H new ATOM 0 HB3 TRP A 110 0.659 7.825 -8.366 1.00 0.00 H new ATOM 0 HD1 TRP A 110 1.592 8.626 -11.959 1.00 0.00 H new ATOM 0 HE1 TRP A 110 0.882 6.655 -13.576 1.00 0.00 H new ATOM 0 HE3 TRP A 110 -1.519 6.278 -8.672 1.00 0.00 H new ATOM 0 HZ2 TRP A 110 -0.827 4.387 -13.253 1.00 0.00 H new ATOM 0 HZ3 TRP A 110 -2.475 4.076 -9.297 1.00 0.00 H new ATOM 0 HH2 TRP A 110 -2.277 3.234 -11.605 1.00 0.00 H new ATOM 1719 N VAL A 111 0.101 10.600 -6.859 1.00 0.00 N ATOM 1720 CA VAL A 111 0.099 10.935 -5.435 1.00 0.00 C ATOM 1721 C VAL A 111 -1.174 11.660 -5.065 1.00 0.00 C ATOM 1722 O VAL A 111 -1.788 11.433 -4.019 1.00 0.00 O ATOM 1723 CB VAL A 111 1.378 11.794 -5.084 1.00 0.00 C ATOM 1724 CG1 VAL A 111 1.253 13.330 -5.280 1.00 0.00 C ATOM 1725 CG2 VAL A 111 1.883 11.616 -3.632 1.00 0.00 C ATOM 0 H VAL A 111 0.751 11.146 -7.425 1.00 0.00 H new ATOM 0 HA VAL A 111 0.136 10.016 -4.849 1.00 0.00 H new ATOM 0 HB VAL A 111 2.076 11.385 -5.815 1.00 0.00 H new ATOM 0 HG11 VAL A 111 2.193 13.809 -5.007 1.00 0.00 H new ATOM 0 HG12 VAL A 111 1.025 13.546 -6.324 1.00 0.00 H new ATOM 0 HG13 VAL A 111 0.453 13.714 -4.647 1.00 0.00 H new ATOM 0 HG21 VAL A 111 2.763 12.240 -3.474 1.00 0.00 H new ATOM 0 HG22 VAL A 111 1.099 11.912 -2.935 1.00 0.00 H new ATOM 0 HG23 VAL A 111 2.144 10.571 -3.463 1.00 0.00 H new ATOM 1735 N THR A 112 -1.604 12.540 -5.956 1.00 0.00 N ATOM 1736 CA THR A 112 -2.885 13.229 -5.835 1.00 0.00 C ATOM 1737 C THR A 112 -4.043 12.286 -6.061 1.00 0.00 C ATOM 1738 O THR A 112 -5.033 12.298 -5.310 1.00 0.00 O ATOM 1739 CB THR A 112 -2.961 14.428 -6.841 1.00 0.00 C ATOM 1740 OG1 THR A 112 -2.787 13.960 -8.171 1.00 0.00 O ATOM 1741 CG2 THR A 112 -1.903 15.538 -6.659 1.00 0.00 C ATOM 0 H THR A 112 -1.074 12.799 -6.788 1.00 0.00 H new ATOM 0 HA THR A 112 -2.958 13.614 -4.818 1.00 0.00 H new ATOM 0 HB THR A 112 -3.942 14.859 -6.639 1.00 0.00 H new ATOM 0 HG1 THR A 112 -3.144 14.622 -8.800 1.00 0.00 H new ATOM 0 HG21 THR A 112 -2.055 16.313 -7.411 1.00 0.00 H new ATOM 0 HG22 THR A 112 -2.000 15.973 -5.664 1.00 0.00 H new ATOM 0 HG23 THR A 112 -0.906 15.113 -6.773 1.00 0.00 H new ATOM 1749 N SER A 113 -3.960 11.473 -7.108 1.00 0.00 N ATOM 1750 CA SER A 113 -4.971 10.433 -7.313 1.00 0.00 C ATOM 1751 C SER A 113 -5.082 9.610 -6.041 1.00 0.00 C ATOM 1752 O SER A 113 -6.121 9.506 -5.383 1.00 0.00 O ATOM 1753 CB SER A 113 -4.688 9.578 -8.584 1.00 0.00 C ATOM 1754 OG SER A 113 -5.003 10.288 -9.789 1.00 0.00 O ATOM 0 H SER A 113 -3.225 11.508 -7.814 1.00 0.00 H new ATOM 0 HA SER A 113 -5.939 10.894 -7.509 1.00 0.00 H new ATOM 0 HB2 SER A 113 -3.638 9.287 -8.599 1.00 0.00 H new ATOM 0 HB3 SER A 113 -5.273 8.659 -8.541 1.00 0.00 H new ATOM 0 HG SER A 113 -4.256 10.875 -10.028 1.00 0.00 H new ATOM 1760 N LEU A 114 -3.953 9.040 -5.655 1.00 0.00 N ATOM 1761 CA LEU A 114 -3.867 8.119 -4.527 1.00 0.00 C ATOM 1762 C LEU A 114 -4.235 8.806 -3.232 1.00 0.00 C ATOM 1763 O LEU A 114 -4.791 8.188 -2.312 1.00 0.00 O ATOM 1764 CB LEU A 114 -2.442 7.496 -4.456 1.00 0.00 C ATOM 1765 CG LEU A 114 -2.034 6.520 -5.597 1.00 0.00 C ATOM 1766 CD1 LEU A 114 -2.143 5.059 -5.123 1.00 0.00 C ATOM 1767 CD2 LEU A 114 -2.885 6.762 -6.871 1.00 0.00 C ATOM 0 H LEU A 114 -3.059 9.203 -6.119 1.00 0.00 H new ATOM 0 HA LEU A 114 -4.586 7.314 -4.679 1.00 0.00 H new ATOM 0 HB2 LEU A 114 -1.718 8.311 -4.434 1.00 0.00 H new ATOM 0 HB3 LEU A 114 -2.353 6.964 -3.509 1.00 0.00 H new ATOM 0 HG LEU A 114 -0.993 6.715 -5.856 1.00 0.00 H new ATOM 0 HD11 LEU A 114 -1.854 4.391 -5.934 1.00 0.00 H new ATOM 0 HD12 LEU A 114 -1.482 4.903 -4.271 1.00 0.00 H new ATOM 0 HD13 LEU A 114 -3.171 4.848 -4.828 1.00 0.00 H new ATOM 0 HD21 LEU A 114 -2.578 6.066 -7.651 1.00 0.00 H new ATOM 0 HD22 LEU A 114 -3.939 6.606 -6.640 1.00 0.00 H new ATOM 0 HD23 LEU A 114 -2.737 7.785 -7.218 1.00 0.00 H new ATOM 1779 N LYS A 115 -3.963 10.095 -3.134 1.00 0.00 N ATOM 1780 CA LYS A 115 -4.305 10.861 -1.937 1.00 0.00 C ATOM 1781 C LYS A 115 -5.802 10.972 -1.778 1.00 0.00 C ATOM 1782 O LYS A 115 -6.350 10.865 -0.673 1.00 0.00 O ATOM 1783 CB LYS A 115 -3.651 12.270 -2.004 1.00 0.00 C ATOM 1784 CG LYS A 115 -4.059 13.190 -0.824 1.00 0.00 C ATOM 1785 CD LYS A 115 -3.186 13.053 0.427 1.00 0.00 C ATOM 1786 CE LYS A 115 -2.180 14.211 0.472 1.00 0.00 C ATOM 1787 NZ LYS A 115 -1.072 13.932 -0.459 1.00 0.00 N ATOM 0 H LYS A 115 -3.506 10.638 -3.866 1.00 0.00 H new ATOM 0 HA LYS A 115 -3.916 10.336 -1.065 1.00 0.00 H new ATOM 0 HB2 LYS A 115 -2.567 12.160 -2.012 1.00 0.00 H new ATOM 0 HB3 LYS A 115 -3.930 12.749 -2.943 1.00 0.00 H new ATOM 0 HG2 LYS A 115 -4.027 14.226 -1.161 1.00 0.00 H new ATOM 0 HG3 LYS A 115 -5.093 12.975 -0.554 1.00 0.00 H new ATOM 0 HD2 LYS A 115 -3.808 13.062 1.322 1.00 0.00 H new ATOM 0 HD3 LYS A 115 -2.659 12.099 0.414 1.00 0.00 H new ATOM 0 HE2 LYS A 115 -2.671 15.145 0.200 1.00 0.00 H new ATOM 0 HE3 LYS A 115 -1.796 14.335 1.485 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 -0.348 14.673 -0.369 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 -0.652 13.008 -0.232 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 -1.433 13.918 -1.434 1.00 0.00 H new ATOM 1801 N ALA A 116 -6.496 11.192 -2.879 1.00 0.00 N ATOM 1802 CA ALA A 116 -7.940 11.409 -2.851 1.00 0.00 C ATOM 1803 C ALA A 116 -8.672 10.136 -2.499 1.00 0.00 C ATOM 1804 O ALA A 116 -9.533 10.101 -1.613 1.00 0.00 O ATOM 1805 CB ALA A 116 -8.353 11.976 -4.221 1.00 0.00 C ATOM 0 H ALA A 116 -6.085 11.226 -3.812 1.00 0.00 H new ATOM 0 HA ALA A 116 -8.211 12.125 -2.075 1.00 0.00 H new ATOM 0 HB1 ALA A 116 -9.429 12.150 -4.233 1.00 0.00 H new ATOM 0 HB2 ALA A 116 -7.831 12.917 -4.398 1.00 0.00 H new ATOM 0 HB3 ALA A 116 -8.092 11.264 -5.003 1.00 0.00 H new ATOM 1811 N GLN A 117 -8.328 9.057 -3.179 1.00 0.00 N ATOM 1812 CA GLN A 117 -8.970 7.766 -2.954 1.00 0.00 C ATOM 1813 C GLN A 117 -8.794 7.311 -1.522 1.00 0.00 C ATOM 1814 O GLN A 117 -9.763 7.081 -0.792 1.00 0.00 O ATOM 1815 CB GLN A 117 -8.369 6.735 -3.936 1.00 0.00 C ATOM 1816 CG GLN A 117 -9.199 6.421 -5.225 1.00 0.00 C ATOM 1817 CD GLN A 117 -10.169 5.227 -5.325 1.00 0.00 C ATOM 1818 OE1 GLN A 117 -11.313 5.293 -4.910 1.00 0.00 O ATOM 1819 NE2 GLN A 117 -9.761 4.123 -5.905 1.00 0.00 N ATOM 0 H GLN A 117 -7.603 9.046 -3.897 1.00 0.00 H new ATOM 0 HA GLN A 117 -10.041 7.860 -3.132 1.00 0.00 H new ATOM 0 HB2 GLN A 117 -7.386 7.092 -4.243 1.00 0.00 H new ATOM 0 HB3 GLN A 117 -8.215 5.801 -3.396 1.00 0.00 H new ATOM 0 HG2 GLN A 117 -9.784 7.315 -5.443 1.00 0.00 H new ATOM 0 HG3 GLN A 117 -8.480 6.305 -6.036 1.00 0.00 H new ATOM 0 HE21 GLN A 117 -8.806 4.055 -6.257 1.00 0.00 H new ATOM 0 HE22 GLN A 117 -10.399 3.333 -6.004 1.00 0.00 H new ATOM 1828 N SER A 118 -7.550 7.145 -1.113 1.00 0.00 N ATOM 1829 CA SER A 118 -7.196 6.581 0.187 1.00 0.00 C ATOM 1830 C SER A 118 -7.973 7.270 1.287 1.00 0.00 C ATOM 1831 O SER A 118 -8.427 8.428 1.094 1.00 0.00 O ATOM 1832 CB SER A 118 -5.673 6.673 0.449 1.00 0.00 C ATOM 1833 OG SER A 118 -5.367 6.951 1.825 1.00 0.00 O ATOM 0 H SER A 118 -6.741 7.400 -1.679 1.00 0.00 H new ATOM 0 HA SER A 118 -7.463 5.524 0.180 1.00 0.00 H new ATOM 0 HB2 SER A 118 -5.200 5.735 0.157 1.00 0.00 H new ATOM 0 HB3 SER A 118 -5.246 7.454 -0.180 1.00 0.00 H new ATOM 0 HG SER A 118 -5.490 6.138 2.358 1.00 0.00 H new ATOM 1839 N ASP A 119 -8.147 6.675 2.451 1.00 0.00 N ATOM 1840 CA ASP A 119 -9.010 7.248 3.490 1.00 0.00 C ATOM 1841 C ASP A 119 -8.373 8.461 4.131 1.00 0.00 C ATOM 1842 O ASP A 119 -8.985 9.527 4.256 1.00 0.00 O ATOM 1843 CB ASP A 119 -9.385 6.179 4.551 1.00 0.00 C ATOM 1844 CG ASP A 119 -9.008 6.483 6.010 1.00 0.00 C ATOM 1845 OD1 ASP A 119 -7.883 6.327 6.460 1.00 0.00 O ATOM 1846 OD2 ASP A 119 -10.071 6.938 6.743 1.00 0.00 O ATOM 0 H ASP A 119 -7.705 5.793 2.710 1.00 0.00 H new ATOM 0 HA ASP A 119 -9.931 7.581 3.011 1.00 0.00 H new ATOM 0 HB2 ASP A 119 -10.462 6.020 4.505 1.00 0.00 H new ATOM 0 HB3 ASP A 119 -8.911 5.239 4.267 1.00 0.00 H new ATOM 1851 N SER A 120 -7.138 8.305 4.569 1.00 0.00 N ATOM 1852 CA SER A 120 -6.424 9.323 5.339 1.00 0.00 C ATOM 1853 C SER A 120 -7.083 9.561 6.678 1.00 0.00 C ATOM 1854 O SER A 120 -8.289 9.797 6.806 1.00 0.00 O ATOM 1855 CB SER A 120 -6.283 10.643 4.537 1.00 0.00 C ATOM 1856 OG SER A 120 -5.992 11.769 5.373 1.00 0.00 O ATOM 0 H SER A 120 -6.591 7.461 4.402 1.00 0.00 H new ATOM 0 HA SER A 120 -5.419 8.946 5.529 1.00 0.00 H new ATOM 0 HB2 SER A 120 -5.491 10.531 3.797 1.00 0.00 H new ATOM 0 HB3 SER A 120 -7.207 10.831 3.989 1.00 0.00 H new ATOM 0 HG SER A 120 -5.911 12.574 4.821 1.00 0.00 H new ATOM 1862 N THR A 121 -6.271 9.525 7.726 1.00 0.00 N ATOM 1863 CA THR A 121 -6.754 9.707 9.092 1.00 0.00 C ATOM 1864 C THR A 121 -5.993 10.804 9.799 1.00 0.00 C ATOM 1865 O THR A 121 -5.654 10.699 10.985 1.00 0.00 O ATOM 1866 CB THR A 121 -6.654 8.365 9.893 1.00 0.00 C ATOM 1867 OG1 THR A 121 -5.294 7.987 10.063 1.00 0.00 O ATOM 1868 CG2 THR A 121 -7.321 7.131 9.249 1.00 0.00 C ATOM 0 H THR A 121 -5.265 9.370 7.657 1.00 0.00 H new ATOM 0 HA THR A 121 -7.801 10.005 9.041 1.00 0.00 H new ATOM 0 HB THR A 121 -7.180 8.603 10.817 1.00 0.00 H new ATOM 0 HG1 THR A 121 -5.248 7.148 10.567 1.00 0.00 H new ATOM 0 HG21 THR A 121 -7.185 6.265 9.896 1.00 0.00 H new ATOM 0 HG22 THR A 121 -8.386 7.321 9.116 1.00 0.00 H new ATOM 0 HG23 THR A 121 -6.864 6.935 8.279 1.00 0.00 H new ATOM 1876 N ALA A 122 -5.728 11.888 9.093 1.00 0.00 N ATOM 1877 CA ALA A 122 -5.110 13.067 9.696 1.00 0.00 C ATOM 1878 C ALA A 122 -3.699 12.768 10.143 1.00 0.00 C ATOM 1879 O ALA A 122 -3.231 11.588 10.155 1.00 0.00 O ATOM 1880 CB ALA A 122 -6.016 13.529 10.851 1.00 0.00 C ATOM 1881 OXT ALA A 122 -3.010 13.768 10.518 1.00 0.00 O ATOM 0 H ALA A 122 -5.930 11.982 8.098 1.00 0.00 H new ATOM 0 HA ALA A 122 -5.022 13.875 8.969 1.00 0.00 H new ATOM 0 HB1 ALA A 122 -5.582 14.410 11.324 1.00 0.00 H new ATOM 0 HB2 ALA A 122 -7.004 13.775 10.462 1.00 0.00 H new ATOM 0 HB3 ALA A 122 -6.105 12.729 11.586 1.00 0.00 H new TER 1887 ALA A 122