USER MOD reduce.3.24.130724 H: found=0, std=0, add=731, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 606 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 Single : A 1 GLY N :NH3+ -121:sc= 0.107 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 42:sc= 0.0529 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 THR OG1 : rot 180:sc= -0.393 USER MOD Single : A 9 CYS SG : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 ASN : amide:sc= -0.0526 K(o=-0.053,f=-0.59) USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 SER OG : rot 74:sc= -0.19 USER MOD Single : A 24 SER OG : rot 12:sc= 1.2 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 THR OG1 : rot 180:sc= -0.0248 USER MOD Single : A 30 GLN : amide:sc= -0.12 K(o=-0.12,f=-2!) USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 THR OG1 : rot 117:sc= -1.17 USER MOD Single : A 38 HIS :FLIP no HD1:sc= -0.549 F(o=-2.5!,f=-0.55) USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 45 TYR OH : rot 30:sc= 0 USER MOD Single : A 48 MET CE :methyl -118:sc= -3.21 (180deg=-5.44!) USER MOD Single : A 51 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 55 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 56 THR OG1 : rot 180:sc= 0.00594 USER MOD Single : A 58 ASN : amide:sc= -0.457 K(o=-0.46,f=-1.8!) USER MOD Single : A 60 GLN : amide:sc= -0.0541 X(o=-0.054,f=-0.37) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 TYR OH : rot 15:sc= -1.18 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 CYS SG : rot 27:sc= 0 USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 HIS : no HD1:sc= -0.556 X(o=-0.56,f=-0.26) USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -3.084 -16.553 18.871 1.00 0.00 N ATOM 2 CA GLY A 1 -3.522 -16.657 17.490 1.00 0.00 C ATOM 3 C GLY A 1 -4.951 -16.133 17.325 1.00 0.00 C ATOM 4 O GLY A 1 -5.510 -15.547 18.251 1.00 0.00 O ATOM 0 H1 GLY A 1 -2.233 -15.957 18.921 1.00 0.00 H new ATOM 0 H2 GLY A 1 -3.840 -16.126 19.444 1.00 0.00 H new ATOM 0 H3 GLY A 1 -2.865 -17.501 19.238 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -2.847 -16.091 16.848 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -3.473 -17.697 17.167 1.00 0.00 H new ATOM 8 N SER A 2 -5.500 -16.365 16.142 1.00 0.00 N ATOM 9 CA SER A 2 -6.852 -15.923 15.846 1.00 0.00 C ATOM 10 C SER A 2 -6.955 -14.406 16.008 1.00 0.00 C ATOM 11 O SER A 2 -6.087 -13.783 16.617 1.00 0.00 O ATOM 12 CB SER A 2 -7.870 -16.624 16.748 1.00 0.00 C ATOM 13 OG SER A 2 -7.904 -18.031 16.522 1.00 0.00 O ATOM 0 H SER A 2 -5.033 -16.853 15.377 1.00 0.00 H new ATOM 0 HA SER A 2 -7.079 -16.187 14.813 1.00 0.00 H new ATOM 0 HB2 SER A 2 -7.623 -16.430 17.792 1.00 0.00 H new ATOM 0 HB3 SER A 2 -8.860 -16.204 16.571 1.00 0.00 H new ATOM 0 HG SER A 2 -8.565 -18.442 17.118 1.00 0.00 H new ATOM 18 N SER A 3 -8.023 -13.855 15.451 1.00 0.00 N ATOM 19 CA SER A 3 -8.250 -12.422 15.526 1.00 0.00 C ATOM 20 C SER A 3 -9.740 -12.119 15.351 1.00 0.00 C ATOM 21 O SER A 3 -10.362 -11.518 16.226 1.00 0.00 O ATOM 22 CB SER A 3 -7.429 -11.677 14.472 1.00 0.00 C ATOM 23 OG SER A 3 -6.246 -11.105 15.022 1.00 0.00 O ATOM 0 H SER A 3 -8.741 -14.375 14.946 1.00 0.00 H new ATOM 0 HA SER A 3 -7.928 -12.076 16.508 1.00 0.00 H new ATOM 0 HB2 SER A 3 -7.160 -12.364 13.670 1.00 0.00 H new ATOM 0 HB3 SER A 3 -8.039 -10.891 14.027 1.00 0.00 H new ATOM 0 HG SER A 3 -5.830 -11.744 15.638 1.00 0.00 H new ATOM 28 N GLY A 4 -10.268 -12.548 14.215 1.00 0.00 N ATOM 29 CA GLY A 4 -11.674 -12.329 13.914 1.00 0.00 C ATOM 30 C GLY A 4 -12.006 -10.836 13.902 1.00 0.00 C ATOM 31 O GLY A 4 -11.123 -9.998 14.076 1.00 0.00 O ATOM 0 H GLY A 4 -9.749 -13.046 13.492 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -11.915 -12.766 12.945 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -12.292 -12.837 14.655 1.00 0.00 H new ATOM 35 N SER A 5 -13.283 -10.549 13.697 1.00 0.00 N ATOM 36 CA SER A 5 -13.744 -9.171 13.661 1.00 0.00 C ATOM 37 C SER A 5 -15.256 -9.131 13.434 1.00 0.00 C ATOM 38 O SER A 5 -15.738 -9.507 12.366 1.00 0.00 O ATOM 39 CB SER A 5 -13.022 -8.377 12.569 1.00 0.00 C ATOM 40 OG SER A 5 -13.346 -6.990 12.617 1.00 0.00 O ATOM 0 H SER A 5 -14.013 -11.247 13.554 1.00 0.00 H new ATOM 0 HA SER A 5 -13.515 -8.708 14.621 1.00 0.00 H new ATOM 0 HB2 SER A 5 -11.945 -8.502 12.681 1.00 0.00 H new ATOM 0 HB3 SER A 5 -13.289 -8.778 11.592 1.00 0.00 H new ATOM 0 HG SER A 5 -12.865 -6.517 11.906 1.00 0.00 H new ATOM 45 N SER A 6 -15.963 -8.671 14.456 1.00 0.00 N ATOM 46 CA SER A 6 -17.412 -8.577 14.382 1.00 0.00 C ATOM 47 C SER A 6 -17.860 -7.149 14.700 1.00 0.00 C ATOM 48 O SER A 6 -17.422 -6.562 15.687 1.00 0.00 O ATOM 49 CB SER A 6 -18.078 -9.568 15.339 1.00 0.00 C ATOM 50 OG SER A 6 -19.366 -9.968 14.880 1.00 0.00 O ATOM 0 H SER A 6 -15.560 -8.359 15.340 1.00 0.00 H new ATOM 0 HA SER A 6 -17.720 -8.831 13.368 1.00 0.00 H new ATOM 0 HB2 SER A 6 -17.443 -10.447 15.450 1.00 0.00 H new ATOM 0 HB3 SER A 6 -18.169 -9.114 16.326 1.00 0.00 H new ATOM 0 HG SER A 6 -19.758 -10.602 15.517 1.00 0.00 H new ATOM 55 N GLY A 7 -18.728 -6.631 13.843 1.00 0.00 N ATOM 56 CA GLY A 7 -19.242 -5.283 14.021 1.00 0.00 C ATOM 57 C GLY A 7 -19.180 -4.497 12.710 1.00 0.00 C ATOM 58 O GLY A 7 -18.939 -5.069 11.648 1.00 0.00 O ATOM 0 H GLY A 7 -19.088 -7.120 13.024 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -20.272 -5.326 14.375 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -18.663 -4.767 14.787 1.00 0.00 H new ATOM 62 N THR A 8 -19.401 -3.195 12.827 1.00 0.00 N ATOM 63 CA THR A 8 -19.373 -2.324 11.664 1.00 0.00 C ATOM 64 C THR A 8 -19.420 -0.857 12.096 1.00 0.00 C ATOM 65 O THR A 8 -19.785 -0.551 13.231 1.00 0.00 O ATOM 66 CB THR A 8 -20.530 -2.725 10.746 1.00 0.00 C ATOM 67 OG1 THR A 8 -20.539 -1.715 9.740 1.00 0.00 O ATOM 68 CG2 THR A 8 -21.893 -2.585 11.427 1.00 0.00 C ATOM 0 H THR A 8 -19.600 -2.723 13.709 1.00 0.00 H new ATOM 0 HA THR A 8 -18.443 -2.436 11.107 1.00 0.00 H new ATOM 0 HB THR A 8 -20.393 -3.755 10.417 1.00 0.00 H new ATOM 0 HG1 THR A 8 -21.258 -1.897 9.100 1.00 0.00 H new ATOM 0 HG21 THR A 8 -22.679 -2.882 10.733 1.00 0.00 H new ATOM 0 HG22 THR A 8 -21.927 -3.225 12.309 1.00 0.00 H new ATOM 0 HG23 THR A 8 -22.046 -1.548 11.726 1.00 0.00 H new ATOM 76 N CYS A 9 -19.046 0.012 11.169 1.00 0.00 N ATOM 77 CA CYS A 9 -19.040 1.440 11.439 1.00 0.00 C ATOM 78 C CYS A 9 -20.098 2.100 10.553 1.00 0.00 C ATOM 79 O CYS A 9 -20.415 1.595 9.477 1.00 0.00 O ATOM 80 CB CYS A 9 -17.654 2.051 11.226 1.00 0.00 C ATOM 81 SG CYS A 9 -17.106 2.908 12.747 1.00 0.00 S ATOM 0 H CYS A 9 -18.745 -0.245 10.229 1.00 0.00 H new ATOM 0 HA CYS A 9 -19.284 1.616 12.487 1.00 0.00 H new ATOM 0 HB2 CYS A 9 -16.940 1.271 10.962 1.00 0.00 H new ATOM 0 HB3 CYS A 9 -17.681 2.753 10.393 1.00 0.00 H new ATOM 0 HG CYS A 9 -15.927 3.421 12.555 1.00 0.00 H new ATOM 86 N VAL A 10 -20.615 3.220 11.037 1.00 0.00 N ATOM 87 CA VAL A 10 -21.629 3.956 10.302 1.00 0.00 C ATOM 88 C VAL A 10 -21.038 4.449 8.980 1.00 0.00 C ATOM 89 O VAL A 10 -20.040 5.168 8.973 1.00 0.00 O ATOM 90 CB VAL A 10 -22.186 5.088 11.169 1.00 0.00 C ATOM 91 CG1 VAL A 10 -23.077 6.020 10.346 1.00 0.00 C ATOM 92 CG2 VAL A 10 -22.941 4.533 12.378 1.00 0.00 C ATOM 0 H VAL A 10 -20.350 3.636 11.930 1.00 0.00 H new ATOM 0 HA VAL A 10 -22.471 3.308 10.059 1.00 0.00 H new ATOM 0 HB VAL A 10 -21.343 5.671 11.540 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -23.460 6.815 10.985 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -22.495 6.456 9.534 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -23.911 5.454 9.932 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -23.326 5.358 12.977 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -23.771 3.915 12.036 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -22.265 3.930 12.984 1.00 0.00 H new ATOM 102 N PHE A 11 -21.680 4.044 7.894 1.00 0.00 N ATOM 103 CA PHE A 11 -21.231 4.437 6.569 1.00 0.00 C ATOM 104 C PHE A 11 -20.971 5.943 6.502 1.00 0.00 C ATOM 105 O PHE A 11 -21.904 6.741 6.592 1.00 0.00 O ATOM 106 CB PHE A 11 -22.352 4.079 5.592 1.00 0.00 C ATOM 107 CG PHE A 11 -21.921 4.074 4.124 1.00 0.00 C ATOM 108 CD1 PHE A 11 -21.302 2.980 3.601 1.00 0.00 C ATOM 109 CD2 PHE A 11 -22.155 5.161 3.343 1.00 0.00 C ATOM 110 CE1 PHE A 11 -20.902 2.975 2.239 1.00 0.00 C ATOM 111 CE2 PHE A 11 -21.755 5.156 1.981 1.00 0.00 C ATOM 112 CZ PHE A 11 -21.137 4.063 1.457 1.00 0.00 C ATOM 0 H PHE A 11 -22.507 3.448 7.905 1.00 0.00 H new ATOM 0 HA PHE A 11 -20.300 3.925 6.324 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -22.743 3.094 5.849 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -23.170 4.789 5.717 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -21.115 2.116 4.222 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -22.645 6.029 3.759 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -20.411 2.107 1.824 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -21.941 6.020 1.360 1.00 0.00 H new ATOM 0 HZ PHE A 11 -20.833 4.059 0.421 1.00 0.00 H new ATOM 121 N GLU A 12 -19.702 6.286 6.343 1.00 0.00 N ATOM 122 CA GLU A 12 -19.308 7.683 6.262 1.00 0.00 C ATOM 123 C GLU A 12 -17.909 7.806 5.659 1.00 0.00 C ATOM 124 O GLU A 12 -17.166 6.827 5.598 1.00 0.00 O ATOM 125 CB GLU A 12 -19.373 8.351 7.637 1.00 0.00 C ATOM 126 CG GLU A 12 -20.162 9.661 7.574 1.00 0.00 C ATOM 127 CD GLU A 12 -19.682 10.642 8.645 1.00 0.00 C ATOM 128 OE1 GLU A 12 -19.569 10.202 9.809 1.00 0.00 O ATOM 129 OE2 GLU A 12 -19.438 11.811 8.275 1.00 0.00 O ATOM 0 H GLU A 12 -18.932 5.621 6.268 1.00 0.00 H new ATOM 0 HA GLU A 12 -20.010 8.201 5.609 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -19.841 7.675 8.352 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -18.363 8.547 7.998 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -20.049 10.110 6.587 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -21.224 9.457 7.712 1.00 0.00 H new ATOM 134 N LYS A 13 -17.590 9.017 5.227 1.00 0.00 N ATOM 135 CA LYS A 13 -16.292 9.282 4.630 1.00 0.00 C ATOM 136 C LYS A 13 -16.170 8.502 3.319 1.00 0.00 C ATOM 137 O LYS A 13 -16.388 7.291 3.290 1.00 0.00 O ATOM 138 CB LYS A 13 -15.171 8.984 5.629 1.00 0.00 C ATOM 139 CG LYS A 13 -14.936 10.175 6.559 1.00 0.00 C ATOM 140 CD LYS A 13 -13.874 11.116 5.988 1.00 0.00 C ATOM 141 CE LYS A 13 -13.124 11.840 7.108 1.00 0.00 C ATOM 142 NZ LYS A 13 -11.665 11.801 6.864 1.00 0.00 N ATOM 0 H LYS A 13 -18.209 9.826 5.279 1.00 0.00 H new ATOM 0 HA LYS A 13 -16.195 10.339 4.383 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -15.428 8.103 6.218 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -14.252 8.751 5.091 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -15.870 10.719 6.702 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -14.621 9.818 7.540 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -13.169 10.549 5.381 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -14.346 11.846 5.330 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -13.461 12.875 7.170 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -13.351 11.373 8.067 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -11.171 12.297 7.633 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -11.345 10.812 6.828 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -11.452 12.267 5.959 1.00 0.00 H new ATOM 152 N GLU A 14 -15.821 9.226 2.266 1.00 0.00 N ATOM 153 CA GLU A 14 -15.668 8.618 0.955 1.00 0.00 C ATOM 154 C GLU A 14 -14.334 9.031 0.331 1.00 0.00 C ATOM 155 O GLU A 14 -13.641 9.902 0.857 1.00 0.00 O ATOM 156 CB GLU A 14 -16.839 8.983 0.041 1.00 0.00 C ATOM 157 CG GLU A 14 -16.719 10.426 -0.453 1.00 0.00 C ATOM 158 CD GLU A 14 -17.939 11.250 -0.039 1.00 0.00 C ATOM 159 OE1 GLU A 14 -19.063 10.792 -0.341 1.00 0.00 O ATOM 160 OE2 GLU A 14 -17.723 12.320 0.570 1.00 0.00 O ATOM 0 H GLU A 14 -15.640 10.229 2.294 1.00 0.00 H new ATOM 0 HA GLU A 14 -15.670 7.535 1.076 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -16.865 8.304 -0.811 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -17.778 8.856 0.579 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -15.815 10.879 -0.047 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -16.620 10.436 -1.538 1.00 0.00 H new ATOM 165 N ASN A 15 -14.013 8.387 -0.782 1.00 0.00 N ATOM 166 CA ASN A 15 -12.775 8.678 -1.484 1.00 0.00 C ATOM 167 C ASN A 15 -11.610 8.011 -0.750 1.00 0.00 C ATOM 168 O ASN A 15 -10.976 7.100 -1.282 1.00 0.00 O ATOM 169 CB ASN A 15 -12.506 10.183 -1.527 1.00 0.00 C ATOM 170 CG ASN A 15 -11.689 10.559 -2.766 1.00 0.00 C ATOM 171 OD1 ASN A 15 -11.925 10.083 -3.864 1.00 0.00 O ATOM 172 ND2 ASN A 15 -10.720 11.437 -2.528 1.00 0.00 N ATOM 0 H ASN A 15 -14.589 7.665 -1.215 1.00 0.00 H new ATOM 0 HA ASN A 15 -12.868 8.299 -2.502 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -13.452 10.725 -1.532 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -11.970 10.486 -0.628 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -10.119 11.752 -3.290 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -10.577 11.796 -1.584 1.00 0.00 H new ATOM 178 N ASP A 16 -11.362 8.490 0.460 1.00 0.00 N ATOM 179 CA ASP A 16 -10.284 7.951 1.272 1.00 0.00 C ATOM 180 C ASP A 16 -8.998 7.910 0.444 1.00 0.00 C ATOM 181 O ASP A 16 -8.743 6.939 -0.266 1.00 0.00 O ATOM 182 CB ASP A 16 -10.597 6.525 1.727 1.00 0.00 C ATOM 183 CG ASP A 16 -12.045 6.288 2.162 1.00 0.00 C ATOM 184 OD1 ASP A 16 -12.941 6.614 1.353 1.00 0.00 O ATOM 185 OD2 ASP A 16 -12.224 5.786 3.293 1.00 0.00 O ATOM 0 H ASP A 16 -11.889 9.246 0.898 1.00 0.00 H new ATOM 0 HA ASP A 16 -10.169 8.592 2.146 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -10.361 5.840 0.913 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -9.938 6.272 2.557 1.00 0.00 H new ATOM 189 N PRO A 17 -8.202 9.006 0.565 1.00 0.00 N ATOM 190 CA PRO A 17 -6.949 9.106 -0.163 1.00 0.00 C ATOM 191 C PRO A 17 -5.877 8.214 0.465 1.00 0.00 C ATOM 192 O PRO A 17 -4.751 8.150 -0.026 1.00 0.00 O ATOM 193 CB PRO A 17 -6.589 10.582 -0.129 1.00 0.00 C ATOM 194 CG PRO A 17 -7.402 11.183 1.007 1.00 0.00 C ATOM 195 CD PRO A 17 -8.472 10.176 1.397 1.00 0.00 C ATOM 0 HA PRO A 17 -7.032 8.755 -1.191 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -5.521 10.720 0.040 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -6.827 11.064 -1.077 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -6.760 11.407 1.859 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -7.858 12.123 0.695 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -8.416 9.929 2.457 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -9.472 10.570 1.214 1.00 0.00 H new ATOM 200 N THR A 18 -6.264 7.548 1.543 1.00 0.00 N ATOM 201 CA THR A 18 -5.350 6.662 2.244 1.00 0.00 C ATOM 202 C THR A 18 -5.736 5.201 2.008 1.00 0.00 C ATOM 203 O THR A 18 -5.549 4.357 2.882 1.00 0.00 O ATOM 204 CB THR A 18 -5.348 7.058 3.722 1.00 0.00 C ATOM 205 OG1 THR A 18 -6.693 6.843 4.141 1.00 0.00 O ATOM 206 CG2 THR A 18 -5.130 8.559 3.926 1.00 0.00 C ATOM 0 H THR A 18 -7.198 7.604 1.948 1.00 0.00 H new ATOM 0 HA THR A 18 -4.333 6.762 1.864 1.00 0.00 H new ATOM 0 HB THR A 18 -4.569 6.504 4.245 1.00 0.00 H new ATOM 0 HG1 THR A 18 -6.781 7.074 5.089 1.00 0.00 H new ATOM 0 HG21 THR A 18 -5.137 8.786 4.992 1.00 0.00 H new ATOM 0 HG22 THR A 18 -4.169 8.848 3.500 1.00 0.00 H new ATOM 0 HG23 THR A 18 -5.928 9.113 3.431 1.00 0.00 H new ATOM 214 N VAL A 19 -6.268 4.947 0.821 1.00 0.00 N ATOM 215 CA VAL A 19 -6.682 3.603 0.458 1.00 0.00 C ATOM 216 C VAL A 19 -5.849 3.121 -0.732 1.00 0.00 C ATOM 217 O VAL A 19 -5.869 3.735 -1.797 1.00 0.00 O ATOM 218 CB VAL A 19 -8.187 3.574 0.185 1.00 0.00 C ATOM 219 CG1 VAL A 19 -8.523 4.316 -1.110 1.00 0.00 C ATOM 220 CG2 VAL A 19 -8.711 2.137 0.145 1.00 0.00 C ATOM 0 H VAL A 19 -6.422 5.650 0.098 1.00 0.00 H new ATOM 0 HA VAL A 19 -6.502 2.913 1.282 1.00 0.00 H new ATOM 0 HB VAL A 19 -8.686 4.089 1.006 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -9.599 4.281 -1.281 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -8.203 5.355 -1.028 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -8.007 3.842 -1.945 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -9.783 2.146 -0.051 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -8.202 1.586 -0.646 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -8.521 1.654 1.103 1.00 0.00 H new ATOM 230 N LEU A 20 -5.138 2.026 -0.509 1.00 0.00 N ATOM 231 CA LEU A 20 -4.300 1.454 -1.549 1.00 0.00 C ATOM 232 C LEU A 20 -5.146 0.535 -2.433 1.00 0.00 C ATOM 233 O LEU A 20 -5.252 -0.662 -2.168 1.00 0.00 O ATOM 234 CB LEU A 20 -3.079 0.764 -0.936 1.00 0.00 C ATOM 235 CG LEU A 20 -1.775 1.564 -0.958 1.00 0.00 C ATOM 236 CD1 LEU A 20 -1.040 1.449 0.379 1.00 0.00 C ATOM 237 CD2 LEU A 20 -0.894 1.144 -2.136 1.00 0.00 C ATOM 0 H LEU A 20 -5.125 1.520 0.376 1.00 0.00 H new ATOM 0 HA LEU A 20 -3.904 2.240 -2.192 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -3.310 0.512 0.099 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -2.915 -0.176 -1.463 1.00 0.00 H new ATOM 0 HG LEU A 20 -2.021 2.616 -1.101 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -0.116 2.026 0.337 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -1.674 1.835 1.177 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -0.805 0.403 0.576 1.00 0.00 H new ATOM 0 HD21 LEU A 20 0.026 1.728 -2.128 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -0.652 0.085 -2.050 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -1.427 1.320 -3.070 1.00 0.00 H new ATOM 248 N ARG A 21 -5.726 1.130 -3.465 1.00 0.00 N ATOM 249 CA ARG A 21 -6.560 0.380 -4.388 1.00 0.00 C ATOM 250 C ARG A 21 -5.690 -0.391 -5.383 1.00 0.00 C ATOM 251 O ARG A 21 -4.512 -0.079 -5.554 1.00 0.00 O ATOM 252 CB ARG A 21 -7.502 1.308 -5.159 1.00 0.00 C ATOM 253 CG ARG A 21 -8.783 1.572 -4.364 1.00 0.00 C ATOM 254 CD ARG A 21 -10.022 1.217 -5.188 1.00 0.00 C ATOM 255 NE ARG A 21 -11.105 0.746 -4.296 1.00 0.00 N ATOM 256 CZ ARG A 21 -11.854 1.553 -3.533 1.00 0.00 C ATOM 257 NH1 ARG A 21 -11.645 2.877 -3.549 1.00 0.00 N ATOM 258 NH2 ARG A 21 -12.815 1.037 -2.755 1.00 0.00 N ATOM 0 H ARG A 21 -5.635 2.122 -3.682 1.00 0.00 H new ATOM 0 HA ARG A 21 -7.156 -0.319 -3.802 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -6.998 2.252 -5.368 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -7.752 0.861 -6.121 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -8.773 0.986 -3.445 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -8.824 2.621 -4.072 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -10.356 2.088 -5.751 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -9.776 0.443 -5.915 1.00 0.00 H new ATOM 0 HE ARG A 21 -11.293 -0.256 -4.260 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -10.915 3.271 -4.143 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -12.216 3.490 -2.968 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -12.976 0.030 -2.744 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -13.385 1.651 -2.174 1.00 0.00 H new ATOM 269 N SER A 22 -6.303 -1.381 -6.014 1.00 0.00 N ATOM 270 CA SER A 22 -5.599 -2.200 -6.987 1.00 0.00 C ATOM 271 C SER A 22 -5.512 -1.463 -8.325 1.00 0.00 C ATOM 272 O SER A 22 -6.532 -1.205 -8.963 1.00 0.00 O ATOM 273 CB SER A 22 -6.287 -3.553 -7.170 1.00 0.00 C ATOM 274 OG SER A 22 -5.935 -4.168 -8.406 1.00 0.00 O ATOM 0 H SER A 22 -7.280 -1.635 -5.871 1.00 0.00 H new ATOM 0 HA SER A 22 -4.591 -2.384 -6.614 1.00 0.00 H new ATOM 0 HB2 SER A 22 -6.014 -4.213 -6.346 1.00 0.00 H new ATOM 0 HB3 SER A 22 -7.368 -3.419 -7.127 1.00 0.00 H new ATOM 0 HG SER A 22 -5.017 -4.507 -8.353 1.00 0.00 H new ATOM 279 N PRO A 23 -4.254 -1.135 -8.721 1.00 0.00 N ATOM 280 CA PRO A 23 -4.020 -0.433 -9.971 1.00 0.00 C ATOM 281 C PRO A 23 -4.189 -1.373 -11.168 1.00 0.00 C ATOM 282 O PRO A 23 -4.217 -0.926 -12.313 1.00 0.00 O ATOM 283 CB PRO A 23 -2.613 0.129 -9.852 1.00 0.00 C ATOM 284 CG PRO A 23 -1.941 -0.666 -8.743 1.00 0.00 C ATOM 285 CD PRO A 23 -3.022 -1.424 -7.991 1.00 0.00 C ATOM 0 HA PRO A 23 -4.740 0.367 -10.144 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -2.070 0.025 -10.791 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -2.636 1.192 -9.612 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -1.209 -1.358 -9.159 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -1.402 -0.000 -8.069 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -2.815 -2.494 -7.972 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -3.089 -1.094 -6.954 1.00 0.00 H new ATOM 290 N SER A 24 -4.299 -2.657 -10.859 1.00 0.00 N ATOM 291 CA SER A 24 -4.464 -3.662 -11.895 1.00 0.00 C ATOM 292 C SER A 24 -4.865 -4.999 -11.266 1.00 0.00 C ATOM 293 O SER A 24 -4.545 -5.266 -10.109 1.00 0.00 O ATOM 294 CB SER A 24 -3.183 -3.825 -12.715 1.00 0.00 C ATOM 295 OG SER A 24 -3.046 -2.804 -13.699 1.00 0.00 O ATOM 0 H SER A 24 -4.277 -3.024 -9.907 1.00 0.00 H new ATOM 0 HA SER A 24 -5.254 -3.332 -12.569 1.00 0.00 H new ATOM 0 HB2 SER A 24 -2.321 -3.804 -12.049 1.00 0.00 H new ATOM 0 HB3 SER A 24 -3.186 -4.800 -13.202 1.00 0.00 H new ATOM 0 HG SER A 24 -3.705 -2.098 -13.532 1.00 0.00 H new ATOM 300 N ALA A 25 -5.561 -5.803 -12.057 1.00 0.00 N ATOM 301 CA ALA A 25 -6.008 -7.105 -11.592 1.00 0.00 C ATOM 302 C ALA A 25 -4.797 -7.931 -11.159 1.00 0.00 C ATOM 303 O ALA A 25 -3.657 -7.492 -11.303 1.00 0.00 O ATOM 304 CB ALA A 25 -6.817 -7.790 -12.697 1.00 0.00 C ATOM 0 H ALA A 25 -5.826 -5.578 -13.016 1.00 0.00 H new ATOM 0 HA ALA A 25 -6.661 -7.000 -10.726 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -7.153 -8.767 -12.350 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -7.682 -7.177 -12.948 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -6.192 -7.915 -13.581 1.00 0.00 H new ATOM 310 N GLY A 26 -5.084 -9.114 -10.635 1.00 0.00 N ATOM 311 CA GLY A 26 -4.033 -10.006 -10.178 1.00 0.00 C ATOM 312 C GLY A 26 -4.536 -10.921 -9.060 1.00 0.00 C ATOM 313 O GLY A 26 -5.644 -11.450 -9.137 1.00 0.00 O ATOM 0 H GLY A 26 -6.031 -9.475 -10.517 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -3.675 -10.609 -11.012 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -3.185 -9.421 -9.820 1.00 0.00 H new ATOM 317 N LYS A 27 -3.699 -11.079 -8.046 1.00 0.00 N ATOM 318 CA LYS A 27 -4.045 -11.920 -6.912 1.00 0.00 C ATOM 319 C LYS A 27 -3.010 -11.725 -5.803 1.00 0.00 C ATOM 320 O LYS A 27 -1.815 -11.914 -6.024 1.00 0.00 O ATOM 321 CB LYS A 27 -4.204 -13.376 -7.355 1.00 0.00 C ATOM 322 CG LYS A 27 -5.681 -13.772 -7.417 1.00 0.00 C ATOM 323 CD LYS A 27 -5.947 -14.718 -8.589 1.00 0.00 C ATOM 324 CE LYS A 27 -7.448 -14.925 -8.799 1.00 0.00 C ATOM 325 NZ LYS A 27 -7.784 -16.365 -8.756 1.00 0.00 N ATOM 0 H LYS A 27 -2.781 -10.639 -7.985 1.00 0.00 H new ATOM 0 HA LYS A 27 -5.011 -11.627 -6.501 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -3.745 -13.514 -8.334 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -3.677 -14.031 -6.661 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -5.971 -14.254 -6.483 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -6.297 -12.878 -7.520 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -5.502 -14.311 -9.497 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -5.467 -15.678 -8.402 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -8.006 -14.392 -8.029 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -7.748 -14.504 -9.759 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -8.807 -16.487 -8.900 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -7.266 -16.865 -9.507 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -7.516 -16.757 -7.831 1.00 0.00 H new ATOM 335 N LEU A 28 -3.507 -11.349 -4.633 1.00 0.00 N ATOM 336 CA LEU A 28 -2.641 -11.126 -3.489 1.00 0.00 C ATOM 337 C LEU A 28 -1.921 -12.430 -3.139 1.00 0.00 C ATOM 338 O LEU A 28 -2.381 -13.513 -3.495 1.00 0.00 O ATOM 339 CB LEU A 28 -3.434 -10.530 -2.324 1.00 0.00 C ATOM 340 CG LEU A 28 -2.608 -10.004 -1.149 1.00 0.00 C ATOM 341 CD1 LEU A 28 -1.718 -8.837 -1.584 1.00 0.00 C ATOM 342 CD2 LEU A 28 -3.507 -9.629 0.031 1.00 0.00 C ATOM 0 H LEU A 28 -4.499 -11.193 -4.454 1.00 0.00 H new ATOM 0 HA LEU A 28 -1.873 -10.391 -3.730 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -4.045 -9.713 -2.707 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -4.118 -11.291 -1.949 1.00 0.00 H new ATOM 0 HG LEU A 28 -1.950 -10.804 -0.810 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -1.141 -8.481 -0.730 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -1.038 -9.171 -2.368 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -2.340 -8.027 -1.964 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -2.894 -9.258 0.852 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -4.208 -8.853 -0.278 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -4.061 -10.508 0.360 1.00 0.00 H new ATOM 353 N THR A 29 -0.801 -12.282 -2.445 1.00 0.00 N ATOM 354 CA THR A 29 -0.012 -13.434 -2.042 1.00 0.00 C ATOM 355 C THR A 29 0.504 -13.255 -0.614 1.00 0.00 C ATOM 356 O THR A 29 0.203 -14.061 0.265 1.00 0.00 O ATOM 357 CB THR A 29 1.103 -13.626 -3.072 1.00 0.00 C ATOM 358 OG1 THR A 29 1.645 -12.320 -3.245 1.00 0.00 O ATOM 359 CG2 THR A 29 0.566 -13.993 -4.457 1.00 0.00 C ATOM 0 H THR A 29 -0.422 -11.382 -2.152 1.00 0.00 H new ATOM 0 HA THR A 29 -0.617 -14.341 -2.023 1.00 0.00 H new ATOM 0 HB THR A 29 1.783 -14.406 -2.729 1.00 0.00 H new ATOM 0 HG1 THR A 29 2.376 -12.353 -3.896 1.00 0.00 H new ATOM 0 HG21 THR A 29 1.399 -14.117 -5.149 1.00 0.00 H new ATOM 0 HG22 THR A 29 0.004 -14.925 -4.394 1.00 0.00 H new ATOM 0 HG23 THR A 29 -0.088 -13.198 -4.816 1.00 0.00 H new ATOM 367 N GLN A 30 1.272 -12.191 -0.425 1.00 0.00 N ATOM 368 CA GLN A 30 1.833 -11.895 0.881 1.00 0.00 C ATOM 369 C GLN A 30 2.302 -10.440 0.941 1.00 0.00 C ATOM 370 O GLN A 30 2.140 -9.692 -0.022 1.00 0.00 O ATOM 371 CB GLN A 30 2.978 -12.854 1.217 1.00 0.00 C ATOM 372 CG GLN A 30 4.148 -12.671 0.249 1.00 0.00 C ATOM 373 CD GLN A 30 5.459 -13.149 0.877 1.00 0.00 C ATOM 374 OE1 GLN A 30 5.581 -13.303 2.081 1.00 0.00 O ATOM 375 NE2 GLN A 30 6.430 -13.375 -0.004 1.00 0.00 N ATOM 0 H GLN A 30 1.518 -11.524 -1.156 1.00 0.00 H new ATOM 0 HA GLN A 30 1.053 -12.036 1.629 1.00 0.00 H new ATOM 0 HB2 GLN A 30 3.316 -12.679 2.238 1.00 0.00 H new ATOM 0 HB3 GLN A 30 2.621 -13.883 1.171 1.00 0.00 H new ATOM 0 HG2 GLN A 30 3.956 -13.227 -0.668 1.00 0.00 H new ATOM 0 HG3 GLN A 30 4.235 -11.620 -0.028 1.00 0.00 H new ATOM 0 HE21 GLN A 30 6.261 -13.226 -0.999 1.00 0.00 H new ATOM 0 HE22 GLN A 30 7.344 -13.697 0.315 1.00 0.00 H new ATOM 382 N TYR A 31 2.874 -10.082 2.081 1.00 0.00 N ATOM 383 CA TYR A 31 3.367 -8.730 2.279 1.00 0.00 C ATOM 384 C TYR A 31 4.889 -8.718 2.437 1.00 0.00 C ATOM 385 O TYR A 31 5.505 -9.768 2.622 1.00 0.00 O ATOM 386 CB TYR A 31 2.728 -8.233 3.577 1.00 0.00 C ATOM 387 CG TYR A 31 2.667 -9.288 4.685 1.00 0.00 C ATOM 388 CD1 TYR A 31 3.833 -9.807 5.207 1.00 0.00 C ATOM 389 CD2 TYR A 31 1.445 -9.720 5.159 1.00 0.00 C ATOM 390 CE1 TYR A 31 3.776 -10.800 6.249 1.00 0.00 C ATOM 391 CE2 TYR A 31 1.388 -10.713 6.200 1.00 0.00 C ATOM 392 CZ TYR A 31 2.556 -11.204 6.694 1.00 0.00 C ATOM 393 OH TYR A 31 2.501 -12.142 7.677 1.00 0.00 O ATOM 0 H TYR A 31 3.007 -10.705 2.877 1.00 0.00 H new ATOM 0 HA TYR A 31 3.118 -8.102 1.423 1.00 0.00 H new ATOM 0 HB2 TYR A 31 3.289 -7.372 3.940 1.00 0.00 H new ATOM 0 HB3 TYR A 31 1.717 -7.887 3.363 1.00 0.00 H new ATOM 0 HD1 TYR A 31 4.789 -9.469 4.835 1.00 0.00 H new ATOM 0 HD2 TYR A 31 0.532 -9.314 4.749 1.00 0.00 H new ATOM 0 HE1 TYR A 31 4.681 -11.214 6.667 1.00 0.00 H new ATOM 0 HE2 TYR A 31 0.439 -11.060 6.580 1.00 0.00 H new ATOM 0 HH TYR A 31 1.565 -12.333 7.895 1.00 0.00 H new ATOM 402 N THR A 32 5.451 -7.522 2.359 1.00 0.00 N ATOM 403 CA THR A 32 6.889 -7.361 2.491 1.00 0.00 C ATOM 404 C THR A 32 7.223 -6.562 3.753 1.00 0.00 C ATOM 405 O THR A 32 8.383 -6.231 3.994 1.00 0.00 O ATOM 406 CB THR A 32 7.412 -6.712 1.207 1.00 0.00 C ATOM 407 OG1 THR A 32 6.676 -5.496 1.108 1.00 0.00 O ATOM 408 CG2 THR A 32 7.013 -7.493 -0.047 1.00 0.00 C ATOM 0 H THR A 32 4.937 -6.654 2.206 1.00 0.00 H new ATOM 0 HA THR A 32 7.385 -8.324 2.612 1.00 0.00 H new ATOM 0 HB THR A 32 8.498 -6.633 1.256 1.00 0.00 H new ATOM 0 HG1 THR A 32 7.292 -4.736 1.163 1.00 0.00 H new ATOM 0 HG21 THR A 32 7.409 -6.991 -0.930 1.00 0.00 H new ATOM 0 HG22 THR A 32 7.419 -8.503 0.009 1.00 0.00 H new ATOM 0 HG23 THR A 32 5.926 -7.543 -0.114 1.00 0.00 H new ATOM 416 N VAL A 33 6.185 -6.279 4.526 1.00 0.00 N ATOM 417 CA VAL A 33 6.354 -5.526 5.758 1.00 0.00 C ATOM 418 C VAL A 33 5.555 -6.200 6.875 1.00 0.00 C ATOM 419 O VAL A 33 4.646 -6.985 6.608 1.00 0.00 O ATOM 420 CB VAL A 33 5.956 -4.065 5.537 1.00 0.00 C ATOM 421 CG1 VAL A 33 6.581 -3.515 4.253 1.00 0.00 C ATOM 422 CG2 VAL A 33 4.435 -3.907 5.518 1.00 0.00 C ATOM 0 H VAL A 33 5.225 -6.557 4.324 1.00 0.00 H new ATOM 0 HA VAL A 33 7.401 -5.522 6.063 1.00 0.00 H new ATOM 0 HB VAL A 33 6.342 -3.483 6.374 1.00 0.00 H new ATOM 0 HG11 VAL A 33 6.282 -2.475 4.119 1.00 0.00 H new ATOM 0 HG12 VAL A 33 7.667 -3.575 4.323 1.00 0.00 H new ATOM 0 HG13 VAL A 33 6.239 -4.103 3.401 1.00 0.00 H new ATOM 0 HG21 VAL A 33 4.180 -2.859 5.359 1.00 0.00 H new ATOM 0 HG22 VAL A 33 4.017 -4.508 4.711 1.00 0.00 H new ATOM 0 HG23 VAL A 33 4.023 -4.241 6.470 1.00 0.00 H new ATOM 432 N GLU A 34 5.923 -5.870 8.105 1.00 0.00 N ATOM 433 CA GLU A 34 5.252 -6.434 9.264 1.00 0.00 C ATOM 434 C GLU A 34 4.072 -5.552 9.675 1.00 0.00 C ATOM 435 O GLU A 34 3.806 -4.530 9.044 1.00 0.00 O ATOM 436 CB GLU A 34 6.229 -6.619 10.426 1.00 0.00 C ATOM 437 CG GLU A 34 6.972 -5.317 10.732 1.00 0.00 C ATOM 438 CD GLU A 34 6.856 -4.953 12.213 1.00 0.00 C ATOM 439 OE1 GLU A 34 7.083 -5.861 13.040 1.00 0.00 O ATOM 440 OE2 GLU A 34 6.541 -3.774 12.485 1.00 0.00 O ATOM 0 H GLU A 34 6.677 -5.219 8.324 1.00 0.00 H new ATOM 0 HA GLU A 34 4.868 -7.418 8.995 1.00 0.00 H new ATOM 0 HB2 GLU A 34 5.687 -6.949 11.312 1.00 0.00 H new ATOM 0 HB3 GLU A 34 6.947 -7.402 10.181 1.00 0.00 H new ATOM 0 HG2 GLU A 34 8.023 -5.422 10.461 1.00 0.00 H new ATOM 0 HG3 GLU A 34 6.565 -4.510 10.123 1.00 0.00 H new ATOM 445 N ASP A 35 3.395 -5.979 10.730 1.00 0.00 N ATOM 446 CA ASP A 35 2.249 -5.242 11.233 1.00 0.00 C ATOM 447 C ASP A 35 2.606 -3.757 11.329 1.00 0.00 C ATOM 448 O ASP A 35 3.639 -3.399 11.894 1.00 0.00 O ATOM 449 CB ASP A 35 1.852 -5.725 12.630 1.00 0.00 C ATOM 450 CG ASP A 35 2.025 -7.225 12.869 1.00 0.00 C ATOM 451 OD1 ASP A 35 1.786 -7.985 11.905 1.00 0.00 O ATOM 452 OD2 ASP A 35 2.394 -7.580 14.009 1.00 0.00 O ATOM 0 H ASP A 35 3.618 -6.827 11.251 1.00 0.00 H new ATOM 0 HA ASP A 35 1.417 -5.403 10.547 1.00 0.00 H new ATOM 0 HB2 ASP A 35 2.446 -5.184 13.367 1.00 0.00 H new ATOM 0 HB3 ASP A 35 0.809 -5.462 12.806 1.00 0.00 H new ATOM 456 N GLY A 36 1.732 -2.933 10.770 1.00 0.00 N ATOM 457 CA GLY A 36 1.943 -1.496 10.786 1.00 0.00 C ATOM 458 C GLY A 36 3.324 -1.137 10.234 1.00 0.00 C ATOM 459 O GLY A 36 3.977 -0.222 10.732 1.00 0.00 O ATOM 0 H GLY A 36 0.876 -3.233 10.303 1.00 0.00 H new ATOM 0 HA2 GLY A 36 1.172 -1.005 10.192 1.00 0.00 H new ATOM 0 HA3 GLY A 36 1.847 -1.122 11.805 1.00 0.00 H new ATOM 463 N GLY A 37 3.727 -1.878 9.212 1.00 0.00 N ATOM 464 CA GLY A 37 5.019 -1.650 8.587 1.00 0.00 C ATOM 465 C GLY A 37 5.099 -0.243 7.991 1.00 0.00 C ATOM 466 O GLY A 37 4.176 0.199 7.309 1.00 0.00 O ATOM 0 H GLY A 37 3.182 -2.636 8.801 1.00 0.00 H new ATOM 0 HA2 GLY A 37 5.812 -1.783 9.323 1.00 0.00 H new ATOM 0 HA3 GLY A 37 5.184 -2.390 7.804 1.00 0.00 H new ATOM 470 N HIS A 38 6.211 0.421 8.271 1.00 0.00 N ATOM 471 CA HIS A 38 6.424 1.769 7.772 1.00 0.00 C ATOM 472 C HIS A 38 7.426 1.736 6.616 1.00 0.00 C ATOM 473 O HIS A 38 8.525 1.204 6.759 1.00 0.00 O ATOM 474 CB HIS A 38 6.853 2.706 8.903 1.00 0.00 C ATOM 475 CG HIS A 38 7.549 3.960 8.430 1.00 0.00 C ATOM 476 ND1 HIS A 38 7.435 4.656 7.262 1.00 0.00 N flip ATOM 477 CD2 HIS A 38 8.486 4.632 9.196 1.00 0.00 C flip ATOM 478 CE1 HIS A 38 8.257 5.697 7.312 1.00 0.00 C flip ATOM 479 NE2 HIS A 38 8.910 5.683 8.509 1.00 0.00 N flip ATOM 0 H HIS A 38 6.974 0.050 8.837 1.00 0.00 H new ATOM 0 HA HIS A 38 5.487 2.169 7.384 1.00 0.00 H new ATOM 0 HB2 HIS A 38 5.973 2.987 9.482 1.00 0.00 H new ATOM 0 HB3 HIS A 38 7.518 2.165 9.576 1.00 0.00 H new ATOM 0 HD2 HIS A 38 8.815 4.348 10.185 1.00 0.00 H new ATOM 0 HE1 HIS A 38 8.387 6.434 6.533 1.00 0.00 H new ATOM 0 HE2 HIS A 38 9.604 6.363 8.821 1.00 0.00 H new ATOM 486 N VAL A 39 7.009 2.311 5.498 1.00 0.00 N ATOM 487 CA VAL A 39 7.857 2.354 4.318 1.00 0.00 C ATOM 488 C VAL A 39 7.847 3.770 3.740 1.00 0.00 C ATOM 489 O VAL A 39 7.146 4.647 4.246 1.00 0.00 O ATOM 490 CB VAL A 39 7.404 1.294 3.310 1.00 0.00 C ATOM 491 CG1 VAL A 39 7.670 -0.116 3.841 1.00 0.00 C ATOM 492 CG2 VAL A 39 5.930 1.475 2.949 1.00 0.00 C ATOM 0 H VAL A 39 6.096 2.751 5.384 1.00 0.00 H new ATOM 0 HA VAL A 39 8.888 2.116 4.579 1.00 0.00 H new ATOM 0 HB VAL A 39 7.989 1.425 2.400 1.00 0.00 H new ATOM 0 HG11 VAL A 39 7.339 -0.850 3.106 1.00 0.00 H new ATOM 0 HG12 VAL A 39 8.737 -0.241 4.023 1.00 0.00 H new ATOM 0 HG13 VAL A 39 7.123 -0.263 4.772 1.00 0.00 H new ATOM 0 HG21 VAL A 39 5.634 0.709 2.232 1.00 0.00 H new ATOM 0 HG22 VAL A 39 5.321 1.384 3.849 1.00 0.00 H new ATOM 0 HG23 VAL A 39 5.782 2.461 2.509 1.00 0.00 H new ATOM 502 N GLU A 40 8.633 3.952 2.689 1.00 0.00 N ATOM 503 CA GLU A 40 8.724 5.247 2.036 1.00 0.00 C ATOM 504 C GLU A 40 7.868 5.265 0.770 1.00 0.00 C ATOM 505 O GLU A 40 7.587 4.216 0.191 1.00 0.00 O ATOM 506 CB GLU A 40 10.179 5.600 1.720 1.00 0.00 C ATOM 507 CG GLU A 40 10.932 6.010 2.988 1.00 0.00 C ATOM 508 CD GLU A 40 12.109 6.928 2.653 1.00 0.00 C ATOM 509 OE1 GLU A 40 11.852 8.139 2.478 1.00 0.00 O ATOM 510 OE2 GLU A 40 13.239 6.399 2.580 1.00 0.00 O ATOM 0 H GLU A 40 9.213 3.223 2.273 1.00 0.00 H new ATOM 0 HA GLU A 40 8.341 6.004 2.720 1.00 0.00 H new ATOM 0 HB2 GLU A 40 10.673 4.744 1.260 1.00 0.00 H new ATOM 0 HB3 GLU A 40 10.210 6.413 0.995 1.00 0.00 H new ATOM 0 HG2 GLU A 40 10.252 6.519 3.671 1.00 0.00 H new ATOM 0 HG3 GLU A 40 11.295 5.121 3.504 1.00 0.00 H new ATOM 515 N ALA A 41 7.475 6.467 0.376 1.00 0.00 N ATOM 516 CA ALA A 41 6.656 6.635 -0.812 1.00 0.00 C ATOM 517 C ALA A 41 7.436 6.152 -2.036 1.00 0.00 C ATOM 518 O ALA A 41 8.187 6.916 -2.640 1.00 0.00 O ATOM 519 CB ALA A 41 6.228 8.100 -0.935 1.00 0.00 C ATOM 0 H ALA A 41 7.709 7.335 0.859 1.00 0.00 H new ATOM 0 HA ALA A 41 5.749 6.035 -0.740 1.00 0.00 H new ATOM 0 HB1 ALA A 41 5.614 8.226 -1.826 1.00 0.00 H new ATOM 0 HB2 ALA A 41 5.653 8.386 -0.054 1.00 0.00 H new ATOM 0 HB3 ALA A 41 7.113 8.732 -1.012 1.00 0.00 H new ATOM 525 N GLY A 42 7.229 4.885 -2.368 1.00 0.00 N ATOM 526 CA GLY A 42 7.904 4.291 -3.509 1.00 0.00 C ATOM 527 C GLY A 42 8.398 2.881 -3.181 1.00 0.00 C ATOM 528 O GLY A 42 8.625 2.073 -4.081 1.00 0.00 O ATOM 0 H GLY A 42 6.604 4.254 -1.867 1.00 0.00 H new ATOM 0 HA2 GLY A 42 7.223 4.253 -4.359 1.00 0.00 H new ATOM 0 HA3 GLY A 42 8.747 4.916 -3.803 1.00 0.00 H new ATOM 532 N SER A 43 8.549 2.627 -1.890 1.00 0.00 N ATOM 533 CA SER A 43 9.011 1.328 -1.431 1.00 0.00 C ATOM 534 C SER A 43 7.952 0.263 -1.720 1.00 0.00 C ATOM 535 O SER A 43 6.945 0.544 -2.368 1.00 0.00 O ATOM 536 CB SER A 43 9.342 1.357 0.063 1.00 0.00 C ATOM 537 OG SER A 43 10.714 1.655 0.301 1.00 0.00 O ATOM 0 H SER A 43 8.360 3.299 -1.147 1.00 0.00 H new ATOM 0 HA SER A 43 9.924 1.079 -1.973 1.00 0.00 H new ATOM 0 HB2 SER A 43 8.718 2.102 0.558 1.00 0.00 H new ATOM 0 HB3 SER A 43 9.099 0.392 0.507 1.00 0.00 H new ATOM 0 HG SER A 43 10.884 1.666 1.266 1.00 0.00 H new ATOM 542 N SER A 44 8.216 -0.938 -1.227 1.00 0.00 N ATOM 543 CA SER A 44 7.299 -2.047 -1.425 1.00 0.00 C ATOM 544 C SER A 44 6.782 -2.546 -0.074 1.00 0.00 C ATOM 545 O SER A 44 7.562 -2.759 0.852 1.00 0.00 O ATOM 546 CB SER A 44 7.970 -3.188 -2.191 1.00 0.00 C ATOM 547 OG SER A 44 9.328 -3.369 -1.797 1.00 0.00 O ATOM 0 H SER A 44 9.053 -1.167 -0.690 1.00 0.00 H new ATOM 0 HA SER A 44 6.458 -1.692 -2.021 1.00 0.00 H new ATOM 0 HB2 SER A 44 7.417 -4.112 -2.022 1.00 0.00 H new ATOM 0 HB3 SER A 44 7.927 -2.981 -3.260 1.00 0.00 H new ATOM 0 HG SER A 44 9.721 -4.108 -2.307 1.00 0.00 H new ATOM 552 N TYR A 45 5.470 -2.717 -0.004 1.00 0.00 N ATOM 553 CA TYR A 45 4.840 -3.187 1.217 1.00 0.00 C ATOM 554 C TYR A 45 4.121 -4.517 0.987 1.00 0.00 C ATOM 555 O TYR A 45 3.678 -5.161 1.938 1.00 0.00 O ATOM 556 CB TYR A 45 3.808 -2.123 1.596 1.00 0.00 C ATOM 557 CG TYR A 45 2.502 -2.213 0.805 1.00 0.00 C ATOM 558 CD1 TYR A 45 1.593 -3.214 1.085 1.00 0.00 C ATOM 559 CD2 TYR A 45 2.232 -1.294 -0.188 1.00 0.00 C ATOM 560 CE1 TYR A 45 0.364 -3.299 0.340 1.00 0.00 C ATOM 561 CE2 TYR A 45 1.002 -1.379 -0.933 1.00 0.00 C ATOM 562 CZ TYR A 45 0.129 -2.378 -0.632 1.00 0.00 C ATOM 563 OH TYR A 45 -1.032 -2.458 -1.335 1.00 0.00 O ATOM 0 H TYR A 45 4.826 -2.538 -0.774 1.00 0.00 H new ATOM 0 HA TYR A 45 5.585 -3.344 1.997 1.00 0.00 H new ATOM 0 HB2 TYR A 45 3.584 -2.212 2.659 1.00 0.00 H new ATOM 0 HB3 TYR A 45 4.246 -1.136 1.444 1.00 0.00 H new ATOM 0 HD1 TYR A 45 1.804 -3.933 1.863 1.00 0.00 H new ATOM 0 HD2 TYR A 45 2.943 -0.511 -0.407 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -0.355 -4.077 0.549 1.00 0.00 H new ATOM 0 HE2 TYR A 45 0.778 -0.666 -1.713 1.00 0.00 H new ATOM 0 HH TYR A 45 -1.731 -2.847 -0.769 1.00 0.00 H new ATOM 572 N ALA A 46 4.029 -4.892 -0.280 1.00 0.00 N ATOM 573 CA ALA A 46 3.372 -6.136 -0.648 1.00 0.00 C ATOM 574 C ALA A 46 3.589 -6.400 -2.139 1.00 0.00 C ATOM 575 O ALA A 46 4.274 -5.636 -2.816 1.00 0.00 O ATOM 576 CB ALA A 46 1.889 -6.057 -0.278 1.00 0.00 C ATOM 0 H ALA A 46 4.398 -4.357 -1.066 1.00 0.00 H new ATOM 0 HA ALA A 46 3.801 -6.975 -0.100 1.00 0.00 H new ATOM 0 HB1 ALA A 46 1.395 -6.989 -0.553 1.00 0.00 H new ATOM 0 HB2 ALA A 46 1.790 -5.897 0.796 1.00 0.00 H new ATOM 0 HB3 ALA A 46 1.424 -5.228 -0.812 1.00 0.00 H new ATOM 582 N GLU A 47 2.991 -7.486 -2.606 1.00 0.00 N ATOM 583 CA GLU A 47 3.110 -7.862 -4.005 1.00 0.00 C ATOM 584 C GLU A 47 1.802 -8.482 -4.501 1.00 0.00 C ATOM 585 O GLU A 47 0.891 -8.729 -3.714 1.00 0.00 O ATOM 586 CB GLU A 47 4.285 -8.817 -4.218 1.00 0.00 C ATOM 587 CG GLU A 47 5.596 -8.190 -3.738 1.00 0.00 C ATOM 588 CD GLU A 47 6.803 -8.915 -4.338 1.00 0.00 C ATOM 589 OE1 GLU A 47 6.572 -9.760 -5.228 1.00 0.00 O ATOM 590 OE2 GLU A 47 7.929 -8.606 -3.892 1.00 0.00 O ATOM 0 H GLU A 47 2.423 -8.117 -2.041 1.00 0.00 H new ATOM 0 HA GLU A 47 3.306 -6.962 -4.588 1.00 0.00 H new ATOM 0 HB2 GLU A 47 4.104 -9.747 -3.680 1.00 0.00 H new ATOM 0 HB3 GLU A 47 4.365 -9.071 -5.275 1.00 0.00 H new ATOM 0 HG2 GLU A 47 5.624 -7.137 -4.018 1.00 0.00 H new ATOM 0 HG3 GLU A 47 5.646 -8.232 -2.650 1.00 0.00 H new ATOM 595 N MET A 48 1.752 -8.717 -5.805 1.00 0.00 N ATOM 596 CA MET A 48 0.572 -9.303 -6.415 1.00 0.00 C ATOM 597 C MET A 48 0.939 -10.095 -7.671 1.00 0.00 C ATOM 598 O MET A 48 2.006 -9.889 -8.249 1.00 0.00 O ATOM 599 CB MET A 48 -0.419 -8.195 -6.781 1.00 0.00 C ATOM 600 CG MET A 48 0.232 -7.162 -7.703 1.00 0.00 C ATOM 601 SD MET A 48 -0.609 -7.133 -9.277 1.00 0.00 S ATOM 602 CE MET A 48 -2.267 -6.755 -8.735 1.00 0.00 C ATOM 0 H MET A 48 2.511 -8.512 -6.455 1.00 0.00 H new ATOM 0 HA MET A 48 0.118 -9.986 -5.698 1.00 0.00 H new ATOM 0 HB2 MET A 48 -1.290 -8.629 -7.272 1.00 0.00 H new ATOM 0 HB3 MET A 48 -0.775 -7.706 -5.874 1.00 0.00 H new ATOM 0 HG2 MET A 48 0.193 -6.175 -7.242 1.00 0.00 H new ATOM 0 HG3 MET A 48 1.285 -7.404 -7.848 1.00 0.00 H new ATOM 0 HE1 MET A 48 -2.933 -7.574 -9.004 1.00 0.00 H new ATOM 0 HE2 MET A 48 -2.275 -6.621 -7.653 1.00 0.00 H new ATOM 0 HE3 MET A 48 -2.607 -5.838 -9.216 1.00 0.00 H new ATOM 610 N GLU A 49 0.037 -10.985 -8.057 1.00 0.00 N ATOM 611 CA GLU A 49 0.253 -11.808 -9.234 1.00 0.00 C ATOM 612 C GLU A 49 -0.813 -11.515 -10.291 1.00 0.00 C ATOM 613 O GLU A 49 -2.007 -11.653 -10.028 1.00 0.00 O ATOM 614 CB GLU A 49 0.269 -13.293 -8.868 1.00 0.00 C ATOM 615 CG GLU A 49 0.628 -14.154 -10.082 1.00 0.00 C ATOM 616 CD GLU A 49 1.088 -15.547 -9.650 1.00 0.00 C ATOM 617 OE1 GLU A 49 0.717 -15.944 -8.524 1.00 0.00 O ATOM 618 OE2 GLU A 49 1.801 -16.184 -10.455 1.00 0.00 O ATOM 0 H GLU A 49 -0.846 -11.154 -7.575 1.00 0.00 H new ATOM 0 HA GLU A 49 1.228 -11.560 -9.653 1.00 0.00 H new ATOM 0 HB2 GLU A 49 0.990 -13.466 -8.069 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -0.708 -13.587 -8.485 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -0.237 -14.241 -10.739 1.00 0.00 H new ATOM 0 HG3 GLU A 49 1.417 -13.668 -10.656 1.00 0.00 H new ATOM 623 N VAL A 50 -0.344 -11.116 -11.464 1.00 0.00 N ATOM 624 CA VAL A 50 -1.244 -10.802 -12.562 1.00 0.00 C ATOM 625 C VAL A 50 -0.616 -11.263 -13.878 1.00 0.00 C ATOM 626 O VAL A 50 0.595 -11.151 -14.065 1.00 0.00 O ATOM 627 CB VAL A 50 -1.581 -9.309 -12.551 1.00 0.00 C ATOM 628 CG1 VAL A 50 -0.317 -8.463 -12.378 1.00 0.00 C ATOM 629 CG2 VAL A 50 -2.340 -8.910 -13.818 1.00 0.00 C ATOM 0 H VAL A 50 0.647 -11.003 -11.679 1.00 0.00 H new ATOM 0 HA VAL A 50 -2.187 -11.336 -12.448 1.00 0.00 H new ATOM 0 HB VAL A 50 -2.231 -9.118 -11.697 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -0.584 -7.406 -12.374 1.00 0.00 H new ATOM 0 HG12 VAL A 50 0.166 -8.719 -11.435 1.00 0.00 H new ATOM 0 HG13 VAL A 50 0.369 -8.660 -13.202 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -2.568 -7.845 -13.785 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -1.725 -9.123 -14.693 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -3.269 -9.478 -13.880 1.00 0.00 H new ATOM 639 N MET A 51 -1.467 -11.774 -14.756 1.00 0.00 N ATOM 640 CA MET A 51 -1.010 -12.254 -16.049 1.00 0.00 C ATOM 641 C MET A 51 0.169 -13.216 -15.892 1.00 0.00 C ATOM 642 O MET A 51 1.146 -13.133 -16.634 1.00 0.00 O ATOM 643 CB MET A 51 -0.586 -11.065 -16.914 1.00 0.00 C ATOM 644 CG MET A 51 -1.807 -10.347 -17.494 1.00 0.00 C ATOM 645 SD MET A 51 -1.590 -10.093 -19.247 1.00 0.00 S ATOM 646 CE MET A 51 -3.293 -10.130 -19.779 1.00 0.00 C ATOM 0 H MET A 51 -2.470 -11.866 -14.597 1.00 0.00 H new ATOM 0 HA MET A 51 -1.830 -12.789 -16.527 1.00 0.00 H new ATOM 0 HB2 MET A 51 0.001 -10.367 -16.317 1.00 0.00 H new ATOM 0 HB3 MET A 51 0.056 -11.410 -17.724 1.00 0.00 H new ATOM 0 HG2 MET A 51 -2.706 -10.936 -17.312 1.00 0.00 H new ATOM 0 HG3 MET A 51 -1.947 -9.389 -16.994 1.00 0.00 H new ATOM 0 HE1 MET A 51 -3.340 -9.985 -20.858 1.00 0.00 H new ATOM 0 HE2 MET A 51 -3.733 -11.093 -19.522 1.00 0.00 H new ATOM 0 HE3 MET A 51 -3.847 -9.334 -19.282 1.00 0.00 H new ATOM 654 N LYS A 52 0.038 -14.108 -14.921 1.00 0.00 N ATOM 655 CA LYS A 52 1.080 -15.086 -14.656 1.00 0.00 C ATOM 656 C LYS A 52 2.381 -14.357 -14.313 1.00 0.00 C ATOM 657 O LYS A 52 3.463 -14.935 -14.405 1.00 0.00 O ATOM 658 CB LYS A 52 1.211 -16.059 -15.830 1.00 0.00 C ATOM 659 CG LYS A 52 0.103 -17.113 -15.795 1.00 0.00 C ATOM 660 CD LYS A 52 0.521 -18.372 -16.558 1.00 0.00 C ATOM 661 CE LYS A 52 0.055 -18.311 -18.013 1.00 0.00 C ATOM 662 NZ LYS A 52 -0.378 -19.648 -18.476 1.00 0.00 N ATOM 0 H LYS A 52 -0.774 -14.174 -14.308 1.00 0.00 H new ATOM 0 HA LYS A 52 0.819 -15.698 -13.792 1.00 0.00 H new ATOM 0 HB2 LYS A 52 1.165 -15.509 -16.770 1.00 0.00 H new ATOM 0 HB3 LYS A 52 2.184 -16.548 -15.795 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -0.128 -17.370 -14.761 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -0.808 -16.704 -16.232 1.00 0.00 H new ATOM 0 HD2 LYS A 52 1.605 -18.479 -16.524 1.00 0.00 H new ATOM 0 HD3 LYS A 52 0.098 -19.252 -16.074 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -0.768 -17.603 -18.108 1.00 0.00 H new ATOM 0 HE3 LYS A 52 0.864 -17.945 -18.645 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -0.691 -19.588 -19.466 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 0.417 -20.315 -18.404 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -1.165 -19.983 -17.884 1.00 0.00 H new ATOM 672 N MET A 53 2.233 -13.099 -13.924 1.00 0.00 N ATOM 673 CA MET A 53 3.383 -12.286 -13.566 1.00 0.00 C ATOM 674 C MET A 53 3.232 -11.716 -12.154 1.00 0.00 C ATOM 675 O MET A 53 2.124 -11.409 -11.719 1.00 0.00 O ATOM 676 CB MET A 53 3.528 -11.138 -14.567 1.00 0.00 C ATOM 677 CG MET A 53 3.659 -11.670 -15.995 1.00 0.00 C ATOM 678 SD MET A 53 4.912 -10.753 -16.876 1.00 0.00 S ATOM 679 CE MET A 53 3.878 -9.726 -17.907 1.00 0.00 C ATOM 0 H MET A 53 1.334 -12.623 -13.849 1.00 0.00 H new ATOM 0 HA MET A 53 4.272 -12.916 -13.591 1.00 0.00 H new ATOM 0 HB2 MET A 53 2.662 -10.479 -14.498 1.00 0.00 H new ATOM 0 HB3 MET A 53 4.404 -10.540 -14.316 1.00 0.00 H new ATOM 0 HG2 MET A 53 3.918 -12.729 -15.975 1.00 0.00 H new ATOM 0 HG3 MET A 53 2.703 -11.585 -16.512 1.00 0.00 H new ATOM 0 HE1 MET A 53 4.505 -9.085 -18.527 1.00 0.00 H new ATOM 0 HE2 MET A 53 3.260 -10.357 -18.546 1.00 0.00 H new ATOM 0 HE3 MET A 53 3.237 -9.108 -17.278 1.00 0.00 H new ATOM 687 N ILE A 54 4.364 -11.593 -11.477 1.00 0.00 N ATOM 688 CA ILE A 54 4.374 -11.066 -10.123 1.00 0.00 C ATOM 689 C ILE A 54 4.733 -9.579 -10.162 1.00 0.00 C ATOM 690 O ILE A 54 5.724 -9.193 -10.781 1.00 0.00 O ATOM 691 CB ILE A 54 5.295 -11.898 -9.230 1.00 0.00 C ATOM 692 CG1 ILE A 54 4.991 -13.391 -9.369 1.00 0.00 C ATOM 693 CG2 ILE A 54 5.217 -11.431 -7.775 1.00 0.00 C ATOM 694 CD1 ILE A 54 3.680 -13.752 -8.666 1.00 0.00 C ATOM 0 H ILE A 54 5.282 -11.849 -11.841 1.00 0.00 H new ATOM 0 HA ILE A 54 3.382 -11.144 -9.677 1.00 0.00 H new ATOM 0 HB ILE A 54 6.322 -11.746 -9.563 1.00 0.00 H new ATOM 0 HG12 ILE A 54 4.927 -13.656 -10.424 1.00 0.00 H new ATOM 0 HG13 ILE A 54 5.808 -13.973 -8.943 1.00 0.00 H new ATOM 0 HG21 ILE A 54 5.882 -12.039 -7.161 1.00 0.00 H new ATOM 0 HG22 ILE A 54 5.520 -10.386 -7.712 1.00 0.00 H new ATOM 0 HG23 ILE A 54 4.194 -11.535 -7.414 1.00 0.00 H new ATOM 0 HD11 ILE A 54 3.488 -14.819 -8.780 1.00 0.00 H new ATOM 0 HD12 ILE A 54 3.756 -13.508 -7.606 1.00 0.00 H new ATOM 0 HD13 ILE A 54 2.861 -13.186 -9.110 1.00 0.00 H new ATOM 705 N MET A 55 3.909 -8.786 -9.493 1.00 0.00 N ATOM 706 CA MET A 55 4.128 -7.351 -9.443 1.00 0.00 C ATOM 707 C MET A 55 4.197 -6.856 -7.997 1.00 0.00 C ATOM 708 O MET A 55 3.439 -7.314 -7.144 1.00 0.00 O ATOM 709 CB MET A 55 2.991 -6.635 -10.174 1.00 0.00 C ATOM 710 CG MET A 55 3.189 -5.118 -10.146 1.00 0.00 C ATOM 711 SD MET A 55 2.970 -4.442 -11.784 1.00 0.00 S ATOM 712 CE MET A 55 2.076 -2.950 -11.386 1.00 0.00 C ATOM 0 H MET A 55 3.089 -9.110 -8.981 1.00 0.00 H new ATOM 0 HA MET A 55 5.079 -7.131 -9.928 1.00 0.00 H new ATOM 0 HB2 MET A 55 2.944 -6.980 -11.207 1.00 0.00 H new ATOM 0 HB3 MET A 55 2.038 -6.889 -9.709 1.00 0.00 H new ATOM 0 HG2 MET A 55 2.477 -4.663 -9.458 1.00 0.00 H new ATOM 0 HG3 MET A 55 4.186 -4.880 -9.776 1.00 0.00 H new ATOM 0 HE1 MET A 55 1.856 -2.402 -12.302 1.00 0.00 H new ATOM 0 HE2 MET A 55 1.143 -3.208 -10.885 1.00 0.00 H new ATOM 0 HE3 MET A 55 2.682 -2.328 -10.727 1.00 0.00 H new ATOM 720 N THR A 56 5.113 -5.928 -7.765 1.00 0.00 N ATOM 721 CA THR A 56 5.291 -5.366 -6.437 1.00 0.00 C ATOM 722 C THR A 56 4.236 -4.292 -6.167 1.00 0.00 C ATOM 723 O THR A 56 3.789 -3.611 -7.089 1.00 0.00 O ATOM 724 CB THR A 56 6.727 -4.849 -6.330 1.00 0.00 C ATOM 725 OG1 THR A 56 7.478 -5.736 -7.156 1.00 0.00 O ATOM 726 CG2 THR A 56 7.320 -5.049 -4.934 1.00 0.00 C ATOM 0 H THR A 56 5.741 -5.551 -8.475 1.00 0.00 H new ATOM 0 HA THR A 56 5.145 -6.122 -5.665 1.00 0.00 H new ATOM 0 HB THR A 56 6.751 -3.790 -6.586 1.00 0.00 H new ATOM 0 HG1 THR A 56 8.422 -5.472 -7.146 1.00 0.00 H new ATOM 0 HG21 THR A 56 8.340 -4.665 -4.913 1.00 0.00 H new ATOM 0 HG22 THR A 56 6.716 -4.513 -4.202 1.00 0.00 H new ATOM 0 HG23 THR A 56 7.328 -6.111 -4.691 1.00 0.00 H new ATOM 734 N LEU A 57 3.870 -4.172 -4.899 1.00 0.00 N ATOM 735 CA LEU A 57 2.876 -3.192 -4.496 1.00 0.00 C ATOM 736 C LEU A 57 3.532 -2.154 -3.583 1.00 0.00 C ATOM 737 O LEU A 57 3.811 -2.435 -2.418 1.00 0.00 O ATOM 738 CB LEU A 57 1.664 -3.884 -3.871 1.00 0.00 C ATOM 739 CG LEU A 57 0.498 -4.179 -4.816 1.00 0.00 C ATOM 740 CD1 LEU A 57 -0.474 -5.181 -4.191 1.00 0.00 C ATOM 741 CD2 LEU A 57 -0.204 -2.888 -5.242 1.00 0.00 C ATOM 0 H LEU A 57 4.244 -4.738 -4.137 1.00 0.00 H new ATOM 0 HA LEU A 57 2.494 -2.656 -5.365 1.00 0.00 H new ATOM 0 HB2 LEU A 57 1.995 -4.824 -3.430 1.00 0.00 H new ATOM 0 HB3 LEU A 57 1.296 -3.262 -3.055 1.00 0.00 H new ATOM 0 HG LEU A 57 0.899 -4.640 -5.719 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -1.294 -5.373 -4.883 1.00 0.00 H new ATOM 0 HD12 LEU A 57 0.050 -6.113 -3.981 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -0.872 -4.771 -3.263 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -1.029 -3.127 -5.913 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -0.590 -2.376 -4.361 1.00 0.00 H new ATOM 0 HD23 LEU A 57 0.506 -2.240 -5.756 1.00 0.00 H new ATOM 752 N ASN A 58 3.759 -0.976 -4.145 1.00 0.00 N ATOM 753 CA ASN A 58 4.375 0.105 -3.395 1.00 0.00 C ATOM 754 C ASN A 58 3.283 1.002 -2.810 1.00 0.00 C ATOM 755 O ASN A 58 2.120 0.900 -3.194 1.00 0.00 O ATOM 756 CB ASN A 58 5.261 0.966 -4.299 1.00 0.00 C ATOM 757 CG ASN A 58 4.557 1.275 -5.622 1.00 0.00 C ATOM 758 OD1 ASN A 58 3.465 1.818 -5.663 1.00 0.00 O ATOM 759 ND2 ASN A 58 5.242 0.899 -6.699 1.00 0.00 N ATOM 0 H ASN A 58 3.527 -0.746 -5.111 1.00 0.00 H new ATOM 0 HA ASN A 58 4.984 -0.336 -2.606 1.00 0.00 H new ATOM 0 HB2 ASN A 58 5.511 1.897 -3.790 1.00 0.00 H new ATOM 0 HB3 ASN A 58 6.200 0.448 -4.495 1.00 0.00 H new ATOM 0 HD21 ASN A 58 4.858 1.061 -7.630 1.00 0.00 H new ATOM 0 HD22 ASN A 58 6.151 0.449 -6.594 1.00 0.00 H new ATOM 765 N VAL A 59 3.697 1.859 -1.888 1.00 0.00 N ATOM 766 CA VAL A 59 2.769 2.774 -1.245 1.00 0.00 C ATOM 767 C VAL A 59 2.682 4.064 -2.063 1.00 0.00 C ATOM 768 O VAL A 59 3.693 4.556 -2.563 1.00 0.00 O ATOM 769 CB VAL A 59 3.190 3.013 0.206 1.00 0.00 C ATOM 770 CG1 VAL A 59 3.480 1.689 0.917 1.00 0.00 C ATOM 771 CG2 VAL A 59 4.396 3.950 0.280 1.00 0.00 C ATOM 0 H VAL A 59 4.663 1.939 -1.571 1.00 0.00 H new ATOM 0 HA VAL A 59 1.769 2.342 -1.212 1.00 0.00 H new ATOM 0 HB VAL A 59 2.359 3.496 0.721 1.00 0.00 H new ATOM 0 HG11 VAL A 59 3.777 1.887 1.947 1.00 0.00 H new ATOM 0 HG12 VAL A 59 2.584 1.069 0.911 1.00 0.00 H new ATOM 0 HG13 VAL A 59 4.286 1.168 0.401 1.00 0.00 H new ATOM 0 HG21 VAL A 59 4.674 4.103 1.323 1.00 0.00 H new ATOM 0 HG22 VAL A 59 5.234 3.507 -0.258 1.00 0.00 H new ATOM 0 HG23 VAL A 59 4.140 4.909 -0.172 1.00 0.00 H new ATOM 781 N GLN A 60 1.465 4.575 -2.174 1.00 0.00 N ATOM 782 CA GLN A 60 1.232 5.799 -2.922 1.00 0.00 C ATOM 783 C GLN A 60 1.821 6.997 -2.175 1.00 0.00 C ATOM 784 O GLN A 60 2.178 8.002 -2.789 1.00 0.00 O ATOM 785 CB GLN A 60 -0.260 6.001 -3.194 1.00 0.00 C ATOM 786 CG GLN A 60 -0.496 6.484 -4.626 1.00 0.00 C ATOM 787 CD GLN A 60 -1.678 7.454 -4.689 1.00 0.00 C ATOM 788 OE1 GLN A 60 -1.794 8.384 -3.907 1.00 0.00 O ATOM 789 NE2 GLN A 60 -2.545 7.187 -5.662 1.00 0.00 N ATOM 0 H GLN A 60 0.629 4.164 -1.758 1.00 0.00 H new ATOM 0 HA GLN A 60 1.734 5.714 -3.886 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -0.793 5.065 -3.030 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -0.667 6.727 -2.490 1.00 0.00 H new ATOM 0 HG2 GLN A 60 0.402 6.975 -5.001 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -0.687 5.629 -5.275 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -2.387 6.392 -6.282 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -3.367 7.777 -5.788 1.00 0.00 H new ATOM 796 N GLU A 61 1.903 6.853 -0.860 1.00 0.00 N ATOM 797 CA GLU A 61 2.441 7.911 -0.023 1.00 0.00 C ATOM 798 C GLU A 61 3.010 7.326 1.271 1.00 0.00 C ATOM 799 O GLU A 61 2.321 6.597 1.982 1.00 0.00 O ATOM 800 CB GLU A 61 1.378 8.971 0.274 1.00 0.00 C ATOM 801 CG GLU A 61 0.668 9.409 -1.008 1.00 0.00 C ATOM 802 CD GLU A 61 -0.341 10.524 -0.722 1.00 0.00 C ATOM 803 OE1 GLU A 61 -1.497 10.176 -0.398 1.00 0.00 O ATOM 804 OE2 GLU A 61 0.068 11.700 -0.835 1.00 0.00 O ATOM 0 H GLU A 61 1.605 6.019 -0.354 1.00 0.00 H new ATOM 0 HA GLU A 61 3.251 8.400 -0.565 1.00 0.00 H new ATOM 0 HB2 GLU A 61 0.649 8.573 0.980 1.00 0.00 H new ATOM 0 HB3 GLU A 61 1.843 9.834 0.750 1.00 0.00 H new ATOM 0 HG2 GLU A 61 1.403 9.756 -1.735 1.00 0.00 H new ATOM 0 HG3 GLU A 61 0.156 8.556 -1.454 1.00 0.00 H new ATOM 809 N ARG A 62 4.261 7.670 1.539 1.00 0.00 N ATOM 810 CA ARG A 62 4.930 7.188 2.735 1.00 0.00 C ATOM 811 C ARG A 62 3.945 7.122 3.904 1.00 0.00 C ATOM 812 O ARG A 62 2.982 7.886 3.952 1.00 0.00 O ATOM 813 CB ARG A 62 6.101 8.097 3.115 1.00 0.00 C ATOM 814 CG ARG A 62 5.602 9.410 3.720 1.00 0.00 C ATOM 815 CD ARG A 62 6.574 10.554 3.425 1.00 0.00 C ATOM 816 NE ARG A 62 7.670 10.556 4.418 1.00 0.00 N ATOM 817 CZ ARG A 62 8.693 11.422 4.408 1.00 0.00 C ATOM 818 NH1 ARG A 62 8.765 12.362 3.456 1.00 0.00 N ATOM 819 NH2 ARG A 62 9.642 11.349 5.351 1.00 0.00 N ATOM 0 H ARG A 62 4.829 8.277 0.948 1.00 0.00 H new ATOM 0 HA ARG A 62 5.313 6.190 2.521 1.00 0.00 H new ATOM 0 HB2 ARG A 62 6.746 7.585 3.829 1.00 0.00 H new ATOM 0 HB3 ARG A 62 6.705 8.306 2.232 1.00 0.00 H new ATOM 0 HG2 ARG A 62 4.619 9.650 3.316 1.00 0.00 H new ATOM 0 HG3 ARG A 62 5.485 9.297 4.798 1.00 0.00 H new ATOM 0 HD2 ARG A 62 6.983 10.445 2.420 1.00 0.00 H new ATOM 0 HD3 ARG A 62 6.046 11.507 3.452 1.00 0.00 H new ATOM 0 HE ARG A 62 7.646 9.854 5.157 1.00 0.00 H new ATOM 0 HH11 ARG A 62 8.041 12.418 2.739 1.00 0.00 H new ATOM 0 HH12 ARG A 62 9.543 13.021 3.448 1.00 0.00 H new ATOM 0 HH21 ARG A 62 9.586 10.634 6.077 1.00 0.00 H new ATOM 0 HH22 ARG A 62 10.420 12.008 5.343 1.00 0.00 H new ATOM 830 N GLY A 63 4.220 6.201 4.816 1.00 0.00 N ATOM 831 CA GLY A 63 3.369 6.026 5.981 1.00 0.00 C ATOM 832 C GLY A 63 3.487 4.605 6.537 1.00 0.00 C ATOM 833 O GLY A 63 4.580 4.042 6.584 1.00 0.00 O ATOM 0 H GLY A 63 5.019 5.569 4.772 1.00 0.00 H new ATOM 0 HA2 GLY A 63 3.647 6.746 6.751 1.00 0.00 H new ATOM 0 HA3 GLY A 63 2.333 6.231 5.713 1.00 0.00 H new ATOM 837 N ARG A 64 2.347 4.067 6.944 1.00 0.00 N ATOM 838 CA ARG A 64 2.309 2.723 7.494 1.00 0.00 C ATOM 839 C ARG A 64 1.340 1.849 6.694 1.00 0.00 C ATOM 840 O ARG A 64 0.193 2.232 6.471 1.00 0.00 O ATOM 841 CB ARG A 64 1.876 2.741 8.962 1.00 0.00 C ATOM 842 CG ARG A 64 3.055 3.073 9.877 1.00 0.00 C ATOM 843 CD ARG A 64 2.803 2.572 11.301 1.00 0.00 C ATOM 844 NE ARG A 64 3.910 2.991 12.188 1.00 0.00 N ATOM 845 CZ ARG A 64 4.086 2.537 13.436 1.00 0.00 C ATOM 846 NH1 ARG A 64 3.229 1.645 13.952 1.00 0.00 N ATOM 847 NH2 ARG A 64 5.120 2.973 14.169 1.00 0.00 N ATOM 0 H ARG A 64 1.443 4.537 6.904 1.00 0.00 H new ATOM 0 HA ARG A 64 3.315 2.309 7.429 1.00 0.00 H new ATOM 0 HB2 ARG A 64 1.084 3.477 9.102 1.00 0.00 H new ATOM 0 HB3 ARG A 64 1.462 1.770 9.235 1.00 0.00 H new ATOM 0 HG2 ARG A 64 3.964 2.619 9.484 1.00 0.00 H new ATOM 0 HG3 ARG A 64 3.217 4.151 9.890 1.00 0.00 H new ATOM 0 HD2 ARG A 64 1.858 2.968 11.673 1.00 0.00 H new ATOM 0 HD3 ARG A 64 2.716 1.485 11.303 1.00 0.00 H new ATOM 0 HE ARG A 64 4.582 3.668 11.827 1.00 0.00 H new ATOM 0 HH11 ARG A 64 2.443 1.312 13.394 1.00 0.00 H new ATOM 0 HH12 ARG A 64 3.363 1.299 14.902 1.00 0.00 H new ATOM 0 HH21 ARG A 64 5.773 3.651 13.777 1.00 0.00 H new ATOM 0 HH22 ARG A 64 5.253 2.627 15.119 1.00 0.00 H new ATOM 858 N VAL A 65 1.837 0.691 6.285 1.00 0.00 N ATOM 859 CA VAL A 65 1.031 -0.240 5.515 1.00 0.00 C ATOM 860 C VAL A 65 0.313 -1.196 6.468 1.00 0.00 C ATOM 861 O VAL A 65 0.896 -1.652 7.452 1.00 0.00 O ATOM 862 CB VAL A 65 1.903 -0.964 4.487 1.00 0.00 C ATOM 863 CG1 VAL A 65 1.084 -1.981 3.692 1.00 0.00 C ATOM 864 CG2 VAL A 65 2.594 0.034 3.554 1.00 0.00 C ATOM 0 H VAL A 65 2.789 0.376 6.473 1.00 0.00 H new ATOM 0 HA VAL A 65 0.266 0.294 4.952 1.00 0.00 H new ATOM 0 HB VAL A 65 2.677 -1.508 5.028 1.00 0.00 H new ATOM 0 HG11 VAL A 65 1.728 -2.481 2.969 1.00 0.00 H new ATOM 0 HG12 VAL A 65 0.661 -2.720 4.373 1.00 0.00 H new ATOM 0 HG13 VAL A 65 0.278 -1.468 3.167 1.00 0.00 H new ATOM 0 HG21 VAL A 65 3.207 -0.506 2.833 1.00 0.00 H new ATOM 0 HG22 VAL A 65 1.841 0.618 3.024 1.00 0.00 H new ATOM 0 HG23 VAL A 65 3.226 0.702 4.139 1.00 0.00 H new ATOM 874 N LYS A 66 -0.942 -1.474 6.145 1.00 0.00 N ATOM 875 CA LYS A 66 -1.744 -2.369 6.961 1.00 0.00 C ATOM 876 C LYS A 66 -2.487 -3.352 6.054 1.00 0.00 C ATOM 877 O LYS A 66 -2.912 -2.990 4.958 1.00 0.00 O ATOM 878 CB LYS A 66 -2.665 -1.569 7.886 1.00 0.00 C ATOM 879 CG LYS A 66 -3.287 -2.471 8.954 1.00 0.00 C ATOM 880 CD LYS A 66 -2.837 -2.053 10.354 1.00 0.00 C ATOM 881 CE LYS A 66 -3.777 -2.615 11.423 1.00 0.00 C ATOM 882 NZ LYS A 66 -4.496 -1.517 12.110 1.00 0.00 N ATOM 0 H LYS A 66 -1.423 -1.095 5.329 1.00 0.00 H new ATOM 0 HA LYS A 66 -1.106 -2.961 7.617 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -2.100 -0.769 8.365 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -3.453 -1.096 7.300 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -4.374 -2.423 8.888 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -3.002 -3.507 8.771 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -1.822 -2.407 10.535 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -2.812 -0.965 10.422 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -4.494 -3.296 10.964 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -3.207 -3.195 12.149 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -5.130 -1.915 12.832 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -3.808 -0.883 12.564 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -5.056 -0.981 11.416 1.00 0.00 H new ATOM 892 N TYR A 67 -2.622 -4.575 6.545 1.00 0.00 N ATOM 893 CA TYR A 67 -3.305 -5.611 5.792 1.00 0.00 C ATOM 894 C TYR A 67 -4.821 -5.520 5.983 1.00 0.00 C ATOM 895 O TYR A 67 -5.323 -5.702 7.091 1.00 0.00 O ATOM 896 CB TYR A 67 -2.812 -6.943 6.363 1.00 0.00 C ATOM 897 CG TYR A 67 -2.366 -7.948 5.300 1.00 0.00 C ATOM 898 CD1 TYR A 67 -1.534 -7.546 4.275 1.00 0.00 C ATOM 899 CD2 TYR A 67 -2.796 -9.258 5.366 1.00 0.00 C ATOM 900 CE1 TYR A 67 -1.113 -8.493 3.274 1.00 0.00 C ATOM 901 CE2 TYR A 67 -2.376 -10.205 4.365 1.00 0.00 C ATOM 902 CZ TYR A 67 -1.555 -9.776 3.369 1.00 0.00 C ATOM 903 OH TYR A 67 -1.158 -10.669 2.424 1.00 0.00 O ATOM 0 H TYR A 67 -2.270 -4.871 7.455 1.00 0.00 H new ATOM 0 HA TYR A 67 -3.098 -5.509 4.727 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -1.979 -6.751 7.039 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -3.609 -7.389 6.958 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -1.198 -6.521 4.223 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -3.447 -9.573 6.168 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -0.462 -8.191 2.467 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -2.706 -11.233 4.404 1.00 0.00 H new ATOM 0 HH TYR A 67 -0.402 -10.300 1.922 1.00 0.00 H new ATOM 912 N ILE A 68 -5.508 -5.236 4.886 1.00 0.00 N ATOM 913 CA ILE A 68 -6.955 -5.118 4.919 1.00 0.00 C ATOM 914 C ILE A 68 -7.582 -6.443 4.477 1.00 0.00 C ATOM 915 O ILE A 68 -8.315 -7.071 5.238 1.00 0.00 O ATOM 916 CB ILE A 68 -7.413 -3.915 4.092 1.00 0.00 C ATOM 917 CG1 ILE A 68 -7.029 -2.601 4.776 1.00 0.00 C ATOM 918 CG2 ILE A 68 -8.913 -3.991 3.797 1.00 0.00 C ATOM 919 CD1 ILE A 68 -7.530 -2.569 6.222 1.00 0.00 C ATOM 0 H ILE A 68 -5.089 -5.084 3.969 1.00 0.00 H new ATOM 0 HA ILE A 68 -7.298 -4.927 5.936 1.00 0.00 H new ATOM 0 HB ILE A 68 -6.895 -3.942 3.133 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -5.946 -2.481 4.760 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -7.451 -1.762 4.223 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -9.212 -3.124 3.208 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -9.128 -4.902 3.238 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -9.468 -4.002 4.735 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -7.244 -1.625 6.685 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -8.616 -2.664 6.233 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -7.088 -3.395 6.779 1.00 0.00 H new ATOM 930 N LYS A 69 -7.269 -6.826 3.248 1.00 0.00 N ATOM 931 CA LYS A 69 -7.793 -8.064 2.695 1.00 0.00 C ATOM 932 C LYS A 69 -6.850 -9.216 3.052 1.00 0.00 C ATOM 933 O LYS A 69 -5.635 -9.031 3.115 1.00 0.00 O ATOM 934 CB LYS A 69 -8.043 -7.917 1.193 1.00 0.00 C ATOM 935 CG LYS A 69 -9.009 -6.765 0.908 1.00 0.00 C ATOM 936 CD LYS A 69 -10.437 -7.134 1.311 1.00 0.00 C ATOM 937 CE LYS A 69 -10.951 -6.211 2.417 1.00 0.00 C ATOM 938 NZ LYS A 69 -12.060 -6.854 3.156 1.00 0.00 N ATOM 0 H LYS A 69 -6.660 -6.302 2.620 1.00 0.00 H new ATOM 0 HA LYS A 69 -8.763 -8.297 3.134 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -7.098 -7.740 0.679 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -8.452 -8.846 0.796 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -8.692 -5.876 1.454 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -8.980 -6.515 -0.153 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -11.092 -7.067 0.443 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -10.466 -8.169 1.653 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -10.140 -5.970 3.104 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -11.292 -5.270 1.984 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -12.397 -6.214 3.903 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -12.840 -7.061 2.500 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -11.724 -7.740 3.585 1.00 0.00 H new ATOM 948 N ARG A 70 -7.445 -10.378 3.277 1.00 0.00 N ATOM 949 CA ARG A 70 -6.674 -11.558 3.625 1.00 0.00 C ATOM 950 C ARG A 70 -5.758 -11.956 2.465 1.00 0.00 C ATOM 951 O ARG A 70 -6.013 -11.596 1.316 1.00 0.00 O ATOM 952 CB ARG A 70 -7.590 -12.734 3.967 1.00 0.00 C ATOM 953 CG ARG A 70 -7.720 -12.904 5.483 1.00 0.00 C ATOM 954 CD ARG A 70 -9.112 -12.486 5.963 1.00 0.00 C ATOM 955 NE ARG A 70 -9.370 -13.043 7.310 1.00 0.00 N ATOM 956 CZ ARG A 70 -8.818 -12.573 8.436 1.00 0.00 C ATOM 957 NH1 ARG A 70 -7.973 -11.534 8.386 1.00 0.00 N ATOM 958 NH2 ARG A 70 -9.112 -13.141 9.614 1.00 0.00 N ATOM 0 H ARG A 70 -8.453 -10.527 3.225 1.00 0.00 H new ATOM 0 HA ARG A 70 -6.073 -11.313 4.501 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -8.575 -12.572 3.530 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -7.193 -13.649 3.527 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -7.535 -13.944 5.753 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -6.962 -12.304 5.986 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -9.186 -11.399 5.990 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -9.869 -12.840 5.263 1.00 0.00 H new ATOM 0 HE ARG A 70 -10.009 -13.835 7.385 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -7.750 -11.101 7.490 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -7.553 -11.177 9.244 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -9.756 -13.931 9.653 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -8.692 -12.783 10.472 1.00 0.00 H new ATOM 969 N PRO A 71 -4.683 -12.712 2.814 1.00 0.00 N ATOM 970 CA PRO A 71 -3.728 -13.162 1.816 1.00 0.00 C ATOM 971 C PRO A 71 -4.306 -14.307 0.981 1.00 0.00 C ATOM 972 O PRO A 71 -4.525 -15.404 1.493 1.00 0.00 O ATOM 973 CB PRO A 71 -2.494 -13.566 2.605 1.00 0.00 C ATOM 974 CG PRO A 71 -2.962 -13.767 4.037 1.00 0.00 C ATOM 975 CD PRO A 71 -4.349 -13.156 4.164 1.00 0.00 C ATOM 0 HA PRO A 71 -3.483 -12.387 1.089 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -2.057 -14.481 2.205 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -1.725 -12.795 2.550 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -2.988 -14.828 4.285 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -2.271 -13.294 4.735 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -5.071 -13.885 4.531 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -4.352 -12.323 4.867 1.00 0.00 H new ATOM 980 N GLY A 72 -4.537 -14.013 -0.290 1.00 0.00 N ATOM 981 CA GLY A 72 -5.086 -15.004 -1.199 1.00 0.00 C ATOM 982 C GLY A 72 -6.311 -14.456 -1.933 1.00 0.00 C ATOM 983 O GLY A 72 -6.852 -15.112 -2.823 1.00 0.00 O ATOM 0 H GLY A 72 -4.354 -13.102 -0.712 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -4.326 -15.299 -1.923 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -5.362 -15.900 -0.643 1.00 0.00 H new ATOM 987 N ALA A 73 -6.715 -13.260 -1.533 1.00 0.00 N ATOM 988 CA ALA A 73 -7.866 -12.616 -2.142 1.00 0.00 C ATOM 989 C ALA A 73 -7.571 -12.341 -3.617 1.00 0.00 C ATOM 990 O ALA A 73 -6.418 -12.395 -4.044 1.00 0.00 O ATOM 991 CB ALA A 73 -8.207 -11.341 -1.368 1.00 0.00 C ATOM 0 H ALA A 73 -6.266 -12.719 -0.794 1.00 0.00 H new ATOM 0 HA ALA A 73 -8.738 -13.268 -2.097 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -9.071 -10.858 -1.825 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -8.438 -11.594 -0.333 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -7.355 -10.661 -1.393 1.00 0.00 H new ATOM 997 N VAL A 74 -8.632 -12.052 -4.357 1.00 0.00 N ATOM 998 CA VAL A 74 -8.501 -11.768 -5.775 1.00 0.00 C ATOM 999 C VAL A 74 -8.265 -10.268 -5.972 1.00 0.00 C ATOM 1000 O VAL A 74 -8.923 -9.445 -5.338 1.00 0.00 O ATOM 1001 CB VAL A 74 -9.729 -12.284 -6.528 1.00 0.00 C ATOM 1002 CG1 VAL A 74 -11.016 -11.701 -5.941 1.00 0.00 C ATOM 1003 CG2 VAL A 74 -9.623 -11.981 -8.024 1.00 0.00 C ATOM 0 H VAL A 74 -9.587 -12.009 -4.000 1.00 0.00 H new ATOM 0 HA VAL A 74 -7.639 -12.290 -6.190 1.00 0.00 H new ATOM 0 HB VAL A 74 -9.765 -13.367 -6.408 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -11.874 -12.083 -6.494 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -11.101 -11.990 -4.893 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -10.991 -10.614 -6.017 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -10.509 -12.358 -8.535 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -9.550 -10.904 -8.173 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -8.735 -12.465 -8.431 1.00 0.00 H new ATOM 1013 N LEU A 75 -7.325 -9.960 -6.852 1.00 0.00 N ATOM 1014 CA LEU A 75 -6.993 -8.575 -7.140 1.00 0.00 C ATOM 1015 C LEU A 75 -7.652 -8.161 -8.457 1.00 0.00 C ATOM 1016 O LEU A 75 -7.344 -8.716 -9.510 1.00 0.00 O ATOM 1017 CB LEU A 75 -5.478 -8.371 -7.120 1.00 0.00 C ATOM 1018 CG LEU A 75 -4.899 -7.770 -5.837 1.00 0.00 C ATOM 1019 CD1 LEU A 75 -4.774 -6.249 -5.952 1.00 0.00 C ATOM 1020 CD2 LEU A 75 -5.720 -8.187 -4.616 1.00 0.00 C ATOM 0 H LEU A 75 -6.782 -10.646 -7.376 1.00 0.00 H new ATOM 0 HA LEU A 75 -7.389 -7.919 -6.364 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -4.999 -9.335 -7.295 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -5.207 -7.725 -7.955 1.00 0.00 H new ATOM 0 HG LEU A 75 -3.893 -8.166 -5.698 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -4.360 -5.847 -5.027 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -4.114 -6.000 -6.783 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -5.758 -5.815 -6.128 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -5.287 -7.746 -3.718 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -6.747 -7.839 -4.732 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -5.713 -9.273 -4.526 1.00 0.00 H new ATOM 1031 N GLU A 76 -8.547 -7.189 -8.355 1.00 0.00 N ATOM 1032 CA GLU A 76 -9.252 -6.693 -9.524 1.00 0.00 C ATOM 1033 C GLU A 76 -9.032 -5.188 -9.679 1.00 0.00 C ATOM 1034 O GLU A 76 -8.769 -4.491 -8.699 1.00 0.00 O ATOM 1035 CB GLU A 76 -10.744 -7.025 -9.447 1.00 0.00 C ATOM 1036 CG GLU A 76 -11.006 -8.472 -9.868 1.00 0.00 C ATOM 1037 CD GLU A 76 -12.380 -8.943 -9.385 1.00 0.00 C ATOM 1038 OE1 GLU A 76 -12.845 -8.385 -8.367 1.00 0.00 O ATOM 1039 OE2 GLU A 76 -12.934 -9.849 -10.044 1.00 0.00 O ATOM 0 H GLU A 76 -8.800 -6.731 -7.479 1.00 0.00 H new ATOM 0 HA GLU A 76 -8.848 -7.191 -10.405 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -11.103 -6.868 -8.430 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -11.305 -6.348 -10.091 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -10.950 -8.555 -10.953 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -10.231 -9.120 -9.459 1.00 0.00 H new ATOM 1044 N ALA A 77 -9.147 -4.729 -10.917 1.00 0.00 N ATOM 1045 CA ALA A 77 -8.964 -3.318 -11.212 1.00 0.00 C ATOM 1046 C ALA A 77 -10.014 -2.502 -10.454 1.00 0.00 C ATOM 1047 O ALA A 77 -11.208 -2.790 -10.538 1.00 0.00 O ATOM 1048 CB ALA A 77 -9.035 -3.100 -12.724 1.00 0.00 C ATOM 0 H ALA A 77 -9.365 -5.309 -11.727 1.00 0.00 H new ATOM 0 HA ALA A 77 -7.982 -2.980 -10.880 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -8.898 -2.042 -12.946 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -8.250 -3.678 -13.212 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -10.008 -3.425 -13.093 1.00 0.00 H new ATOM 1054 N GLY A 78 -9.532 -1.501 -9.734 1.00 0.00 N ATOM 1055 CA GLY A 78 -10.415 -0.641 -8.962 1.00 0.00 C ATOM 1056 C GLY A 78 -11.014 -1.397 -7.774 1.00 0.00 C ATOM 1057 O GLY A 78 -12.233 -1.503 -7.652 1.00 0.00 O ATOM 0 H GLY A 78 -8.542 -1.265 -9.668 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -9.862 0.227 -8.604 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -11.215 -0.267 -9.601 1.00 0.00 H new ATOM 1061 N CYS A 79 -10.128 -1.901 -6.928 1.00 0.00 N ATOM 1062 CA CYS A 79 -10.555 -2.643 -5.752 1.00 0.00 C ATOM 1063 C CYS A 79 -9.704 -2.190 -4.564 1.00 0.00 C ATOM 1064 O CYS A 79 -8.761 -1.418 -4.729 1.00 0.00 O ATOM 1065 CB CYS A 79 -10.466 -4.155 -5.975 1.00 0.00 C ATOM 1066 SG CYS A 79 -12.084 -4.801 -6.533 1.00 0.00 S ATOM 0 H CYS A 79 -9.117 -1.811 -7.032 1.00 0.00 H new ATOM 0 HA CYS A 79 -11.605 -2.433 -5.547 1.00 0.00 H new ATOM 0 HB2 CYS A 79 -9.700 -4.377 -6.719 1.00 0.00 H new ATOM 0 HB3 CYS A 79 -10.166 -4.650 -5.051 1.00 0.00 H new ATOM 0 HG CYS A 79 -12.742 -3.858 -7.140 1.00 0.00 H new ATOM 1071 N VAL A 80 -10.068 -2.690 -3.393 1.00 0.00 N ATOM 1072 CA VAL A 80 -9.351 -2.347 -2.176 1.00 0.00 C ATOM 1073 C VAL A 80 -8.315 -3.433 -1.877 1.00 0.00 C ATOM 1074 O VAL A 80 -8.535 -4.605 -2.178 1.00 0.00 O ATOM 1075 CB VAL A 80 -10.339 -2.130 -1.029 1.00 0.00 C ATOM 1076 CG1 VAL A 80 -11.023 -3.442 -0.640 1.00 0.00 C ATOM 1077 CG2 VAL A 80 -9.647 -1.493 0.178 1.00 0.00 C ATOM 0 H VAL A 80 -10.851 -3.331 -3.260 1.00 0.00 H new ATOM 0 HA VAL A 80 -8.811 -1.409 -2.302 1.00 0.00 H new ATOM 0 HB VAL A 80 -11.109 -1.441 -1.375 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -11.720 -3.260 0.178 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -11.566 -3.838 -1.498 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -10.271 -4.164 -0.322 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -10.372 -1.350 0.979 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -8.847 -2.146 0.525 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -9.229 -0.528 -0.110 1.00 0.00 H new ATOM 1087 N VAL A 81 -7.209 -3.004 -1.288 1.00 0.00 N ATOM 1088 CA VAL A 81 -6.139 -3.925 -0.944 1.00 0.00 C ATOM 1089 C VAL A 81 -5.682 -3.655 0.491 1.00 0.00 C ATOM 1090 O VAL A 81 -5.685 -4.559 1.327 1.00 0.00 O ATOM 1091 CB VAL A 81 -5.003 -3.812 -1.965 1.00 0.00 C ATOM 1092 CG1 VAL A 81 -3.838 -4.730 -1.590 1.00 0.00 C ATOM 1093 CG2 VAL A 81 -5.506 -4.112 -3.378 1.00 0.00 C ATOM 0 H VAL A 81 -7.030 -2.031 -1.040 1.00 0.00 H new ATOM 0 HA VAL A 81 -6.493 -4.955 -0.984 1.00 0.00 H new ATOM 0 HB VAL A 81 -4.638 -2.785 -1.951 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -3.044 -4.631 -2.330 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -3.455 -4.450 -0.608 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -4.183 -5.764 -1.564 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -4.680 -4.025 -4.084 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -5.909 -5.124 -3.414 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -6.288 -3.401 -3.645 1.00 0.00 H new ATOM 1103 N ALA A 82 -5.300 -2.410 0.732 1.00 0.00 N ATOM 1104 CA ALA A 82 -4.841 -2.011 2.052 1.00 0.00 C ATOM 1105 C ALA A 82 -4.966 -0.493 2.194 1.00 0.00 C ATOM 1106 O ALA A 82 -5.186 0.209 1.209 1.00 0.00 O ATOM 1107 CB ALA A 82 -3.407 -2.501 2.264 1.00 0.00 C ATOM 0 H ALA A 82 -5.299 -1.664 0.036 1.00 0.00 H new ATOM 0 HA ALA A 82 -5.458 -2.466 2.827 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -3.063 -2.202 3.254 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -3.378 -3.588 2.183 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -2.757 -2.063 1.506 1.00 0.00 H new ATOM 1113 N ARG A 83 -4.821 -0.032 3.427 1.00 0.00 N ATOM 1114 CA ARG A 83 -4.914 1.391 3.710 1.00 0.00 C ATOM 1115 C ARG A 83 -3.549 1.940 4.128 1.00 0.00 C ATOM 1116 O ARG A 83 -2.650 1.177 4.480 1.00 0.00 O ATOM 1117 CB ARG A 83 -5.928 1.665 4.822 1.00 0.00 C ATOM 1118 CG ARG A 83 -7.279 2.088 4.241 1.00 0.00 C ATOM 1119 CD ARG A 83 -8.295 0.948 4.326 1.00 0.00 C ATOM 1120 NE ARG A 83 -9.506 1.400 5.045 1.00 0.00 N ATOM 1121 CZ ARG A 83 -10.378 2.295 4.560 1.00 0.00 C ATOM 1122 NH1 ARG A 83 -10.178 2.837 3.352 1.00 0.00 N ATOM 1123 NH2 ARG A 83 -11.449 2.646 5.284 1.00 0.00 N ATOM 0 H ARG A 83 -4.640 -0.618 4.242 1.00 0.00 H new ATOM 0 HA ARG A 83 -5.246 1.889 2.799 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -6.055 0.771 5.432 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -5.550 2.448 5.479 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -7.655 2.956 4.782 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -7.153 2.390 3.201 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -8.562 0.612 3.324 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -7.854 0.095 4.841 1.00 0.00 H new ATOM 0 HE ARG A 83 -9.689 1.006 5.968 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -9.362 2.569 2.801 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -10.841 3.518 2.982 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -11.601 2.232 6.204 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -12.113 3.327 4.915 1.00 0.00 H new ATOM 1134 N LEU A 84 -3.435 3.259 4.074 1.00 0.00 N ATOM 1135 CA LEU A 84 -2.194 3.918 4.441 1.00 0.00 C ATOM 1136 C LEU A 84 -2.425 4.770 5.692 1.00 0.00 C ATOM 1137 O LEU A 84 -3.491 5.362 5.855 1.00 0.00 O ATOM 1138 CB LEU A 84 -1.634 4.708 3.255 1.00 0.00 C ATOM 1139 CG LEU A 84 -0.114 4.860 3.210 1.00 0.00 C ATOM 1140 CD1 LEU A 84 0.387 5.717 4.374 1.00 0.00 C ATOM 1141 CD2 LEU A 84 0.574 3.494 3.167 1.00 0.00 C ATOM 0 H LEU A 84 -4.182 3.889 3.782 1.00 0.00 H new ATOM 0 HA LEU A 84 -1.431 3.181 4.692 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -1.958 4.222 2.335 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -2.079 5.703 3.264 1.00 0.00 H new ATOM 0 HG LEU A 84 0.149 5.382 2.290 1.00 0.00 H new ATOM 0 HD11 LEU A 84 1.472 5.809 4.318 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -0.065 6.707 4.317 1.00 0.00 H new ATOM 0 HD13 LEU A 84 0.111 5.246 5.318 1.00 0.00 H new ATOM 0 HD21 LEU A 84 1.655 3.632 3.135 1.00 0.00 H new ATOM 0 HD22 LEU A 84 0.307 2.924 4.057 1.00 0.00 H new ATOM 0 HD23 LEU A 84 0.251 2.952 2.278 1.00 0.00 H new ATOM 1152 N GLU A 85 -1.410 4.804 6.541 1.00 0.00 N ATOM 1153 CA GLU A 85 -1.489 5.573 7.772 1.00 0.00 C ATOM 1154 C GLU A 85 -0.376 6.621 7.815 1.00 0.00 C ATOM 1155 O GLU A 85 0.748 6.323 8.215 1.00 0.00 O ATOM 1156 CB GLU A 85 -1.428 4.657 8.996 1.00 0.00 C ATOM 1157 CG GLU A 85 -2.495 5.042 10.023 1.00 0.00 C ATOM 1158 CD GLU A 85 -2.190 4.420 11.388 1.00 0.00 C ATOM 1159 OE1 GLU A 85 -0.991 4.375 11.736 1.00 0.00 O ATOM 1160 OE2 GLU A 85 -3.165 4.005 12.052 1.00 0.00 O ATOM 0 H GLU A 85 -0.528 4.312 6.402 1.00 0.00 H new ATOM 0 HA GLU A 85 -2.449 6.090 7.794 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -1.572 3.622 8.687 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -0.440 4.719 9.452 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -2.541 6.127 10.116 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -3.474 4.709 9.678 1.00 0.00 H new ATOM 1165 N LEU A 86 -0.729 7.829 7.399 1.00 0.00 N ATOM 1166 CA LEU A 86 0.226 8.924 7.385 1.00 0.00 C ATOM 1167 C LEU A 86 0.910 9.017 8.751 1.00 0.00 C ATOM 1168 O LEU A 86 0.240 9.093 9.780 1.00 0.00 O ATOM 1169 CB LEU A 86 -0.454 10.224 6.949 1.00 0.00 C ATOM 1170 CG LEU A 86 -0.604 10.427 5.440 1.00 0.00 C ATOM 1171 CD1 LEU A 86 -1.571 11.572 5.135 1.00 0.00 C ATOM 1172 CD2 LEU A 86 0.758 10.636 4.776 1.00 0.00 C ATOM 0 H LEU A 86 -1.663 8.073 7.069 1.00 0.00 H new ATOM 0 HA LEU A 86 1.007 8.737 6.648 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -1.445 10.262 7.401 1.00 0.00 H new ATOM 0 HB3 LEU A 86 0.114 11.062 7.354 1.00 0.00 H new ATOM 0 HG LEU A 86 -1.033 9.520 5.015 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -1.660 11.695 4.056 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -2.550 11.343 5.556 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -1.193 12.495 5.576 1.00 0.00 H new ATOM 0 HD21 LEU A 86 0.622 10.778 3.704 1.00 0.00 H new ATOM 0 HD22 LEU A 86 1.238 11.518 5.201 1.00 0.00 H new ATOM 0 HD23 LEU A 86 1.385 9.762 4.950 1.00 0.00 H new ATOM 1183 N ASP A 87 2.234 9.007 8.718 1.00 0.00 N ATOM 1184 CA ASP A 87 3.015 9.090 9.940 1.00 0.00 C ATOM 1185 C ASP A 87 3.340 10.555 10.235 1.00 0.00 C ATOM 1186 O ASP A 87 3.905 10.871 11.282 1.00 0.00 O ATOM 1187 CB ASP A 87 4.337 8.330 9.802 1.00 0.00 C ATOM 1188 CG ASP A 87 5.460 9.108 9.112 1.00 0.00 C ATOM 1189 OD1 ASP A 87 5.366 9.263 7.875 1.00 0.00 O ATOM 1190 OD2 ASP A 87 6.387 9.528 9.838 1.00 0.00 O ATOM 0 H ASP A 87 2.786 8.943 7.863 1.00 0.00 H new ATOM 0 HA ASP A 87 2.428 8.649 10.745 1.00 0.00 H new ATOM 0 HB2 ASP A 87 4.676 8.037 10.796 1.00 0.00 H new ATOM 0 HB3 ASP A 87 4.155 7.412 9.243 1.00 0.00 H new ATOM 1194 N ASP A 88 2.971 11.411 9.293 1.00 0.00 N ATOM 1195 CA ASP A 88 3.216 12.836 9.439 1.00 0.00 C ATOM 1196 C ASP A 88 2.075 13.615 8.785 1.00 0.00 C ATOM 1197 O ASP A 88 2.135 13.931 7.597 1.00 0.00 O ATOM 1198 CB ASP A 88 4.521 13.242 8.753 1.00 0.00 C ATOM 1199 CG ASP A 88 4.985 14.672 9.041 1.00 0.00 C ATOM 1200 OD1 ASP A 88 4.143 15.583 8.884 1.00 0.00 O ATOM 1201 OD2 ASP A 88 6.170 14.822 9.409 1.00 0.00 O ATOM 0 H ASP A 88 2.504 11.145 8.426 1.00 0.00 H new ATOM 0 HA ASP A 88 3.283 13.060 10.504 1.00 0.00 H new ATOM 0 HB2 ASP A 88 5.306 12.552 9.062 1.00 0.00 H new ATOM 0 HB3 ASP A 88 4.400 13.125 7.676 1.00 0.00 H new ATOM 1205 N PRO A 89 1.033 13.910 9.608 1.00 0.00 N ATOM 1206 CA PRO A 89 -0.120 14.647 9.121 1.00 0.00 C ATOM 1207 C PRO A 89 0.209 16.131 8.949 1.00 0.00 C ATOM 1208 O PRO A 89 1.369 16.529 9.049 1.00 0.00 O ATOM 1209 CB PRO A 89 -1.211 14.396 10.150 1.00 0.00 C ATOM 1210 CG PRO A 89 -0.498 13.916 11.403 1.00 0.00 C ATOM 1211 CD PRO A 89 0.927 13.552 11.019 1.00 0.00 C ATOM 0 HA PRO A 89 -0.440 14.320 8.132 1.00 0.00 H new ATOM 0 HB2 PRO A 89 -1.779 15.305 10.347 1.00 0.00 H new ATOM 0 HB3 PRO A 89 -1.920 13.649 9.793 1.00 0.00 H new ATOM 0 HG2 PRO A 89 -0.501 14.695 12.166 1.00 0.00 H new ATOM 0 HG3 PRO A 89 -1.011 13.053 11.827 1.00 0.00 H new ATOM 0 HD2 PRO A 89 1.652 14.099 11.622 1.00 0.00 H new ATOM 0 HD3 PRO A 89 1.120 12.490 11.174 1.00 0.00 H new ATOM 1216 N SER A 90 -0.832 16.910 8.693 1.00 0.00 N ATOM 1217 CA SER A 90 -0.667 18.342 8.507 1.00 0.00 C ATOM 1218 C SER A 90 -0.434 19.021 9.856 1.00 0.00 C ATOM 1219 O SER A 90 0.628 19.595 10.091 1.00 0.00 O ATOM 1220 CB SER A 90 -1.886 18.950 7.809 1.00 0.00 C ATOM 1221 OG SER A 90 -1.568 20.170 7.145 1.00 0.00 O ATOM 0 H SER A 90 -1.792 16.577 8.610 1.00 0.00 H new ATOM 0 HA SER A 90 0.202 18.507 7.870 1.00 0.00 H new ATOM 0 HB2 SER A 90 -2.283 18.237 7.087 1.00 0.00 H new ATOM 0 HB3 SER A 90 -2.671 19.131 8.543 1.00 0.00 H new ATOM 0 HG SER A 90 -2.372 20.525 6.711 1.00 0.00 H new ATOM 1226 N LYS A 91 -1.446 18.936 10.708 1.00 0.00 N ATOM 1227 CA LYS A 91 -1.365 19.536 12.030 1.00 0.00 C ATOM 1228 C LYS A 91 -1.660 18.472 13.088 1.00 0.00 C ATOM 1229 O LYS A 91 -1.232 17.326 12.957 1.00 0.00 O ATOM 1230 CB LYS A 91 -2.276 20.761 12.118 1.00 0.00 C ATOM 1231 CG LYS A 91 -1.730 21.780 13.121 1.00 0.00 C ATOM 1232 CD LYS A 91 -2.868 22.559 13.785 1.00 0.00 C ATOM 1233 CE LYS A 91 -2.763 24.053 13.475 1.00 0.00 C ATOM 1234 NZ LYS A 91 -1.773 24.700 14.365 1.00 0.00 N ATOM 0 H LYS A 91 -2.326 18.461 10.509 1.00 0.00 H new ATOM 0 HA LYS A 91 -0.357 19.903 12.221 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -2.364 21.224 11.135 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -3.278 20.453 12.416 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -1.143 21.267 13.883 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -1.059 22.472 12.613 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -3.827 22.178 13.435 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -2.838 22.405 14.864 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -2.472 24.195 12.434 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -3.737 24.526 13.601 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -1.715 25.714 14.141 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -2.067 24.581 15.356 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -0.841 24.260 14.225 1.00 0.00 H new ATOM 1244 N VAL A 92 -2.389 18.888 14.112 1.00 0.00 N ATOM 1245 CA VAL A 92 -2.746 17.985 15.193 1.00 0.00 C ATOM 1246 C VAL A 92 -1.475 17.357 15.769 1.00 0.00 C ATOM 1247 O VAL A 92 -1.051 16.290 15.327 1.00 0.00 O ATOM 1248 CB VAL A 92 -3.753 16.946 14.695 1.00 0.00 C ATOM 1249 CG1 VAL A 92 -4.360 16.167 15.863 1.00 0.00 C ATOM 1250 CG2 VAL A 92 -4.845 17.603 13.849 1.00 0.00 C ATOM 0 H VAL A 92 -2.743 19.839 14.217 1.00 0.00 H new ATOM 0 HA VAL A 92 -3.234 18.531 16.001 1.00 0.00 H new ATOM 0 HB VAL A 92 -3.218 16.238 14.062 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -5.072 15.435 15.481 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -3.568 15.653 16.408 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -4.873 16.857 16.533 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -5.548 16.843 13.508 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -5.374 18.343 14.449 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -4.392 18.092 12.987 1.00 0.00 H new ATOM 1260 N HIS A 93 -0.903 18.046 16.745 1.00 0.00 N ATOM 1261 CA HIS A 93 0.310 17.569 17.386 1.00 0.00 C ATOM 1262 C HIS A 93 0.197 17.751 18.901 1.00 0.00 C ATOM 1263 O HIS A 93 -0.542 18.614 19.372 1.00 0.00 O ATOM 1264 CB HIS A 93 1.543 18.260 16.797 1.00 0.00 C ATOM 1265 CG HIS A 93 2.400 17.360 15.939 1.00 0.00 C ATOM 1266 ND1 HIS A 93 3.377 17.845 15.087 1.00 0.00 N ATOM 1267 CD2 HIS A 93 2.416 16.002 15.811 1.00 0.00 C ATOM 1268 CE1 HIS A 93 3.949 16.817 14.479 1.00 0.00 C ATOM 1269 NE2 HIS A 93 3.352 15.675 14.927 1.00 0.00 N ATOM 0 H HIS A 93 -1.257 18.931 17.108 1.00 0.00 H new ATOM 0 HA HIS A 93 0.433 16.504 17.191 1.00 0.00 H new ATOM 0 HB2 HIS A 93 1.219 19.113 16.200 1.00 0.00 H new ATOM 0 HB3 HIS A 93 2.150 18.654 17.612 1.00 0.00 H new ATOM 0 HD2 HIS A 93 1.776 15.310 16.339 1.00 0.00 H new ATOM 0 HE1 HIS A 93 4.748 16.873 13.755 1.00 0.00 H new ATOM 0 HE2 HIS A 93 3.586 14.727 14.632 1.00 0.00 H new ATOM 1276 N PRO A 94 0.959 16.902 19.640 1.00 0.00 N ATOM 1277 CA PRO A 94 0.951 16.959 21.092 1.00 0.00 C ATOM 1278 C PRO A 94 1.744 18.166 21.597 1.00 0.00 C ATOM 1279 O PRO A 94 2.902 18.032 21.993 1.00 0.00 O ATOM 1280 CB PRO A 94 1.538 15.632 21.543 1.00 0.00 C ATOM 1281 CG PRO A 94 2.279 15.074 20.338 1.00 0.00 C ATOM 1282 CD PRO A 94 1.846 15.867 19.116 1.00 0.00 C ATOM 0 HA PRO A 94 -0.050 17.095 21.501 1.00 0.00 H new ATOM 0 HB2 PRO A 94 2.213 15.770 22.387 1.00 0.00 H new ATOM 0 HB3 PRO A 94 0.754 14.949 21.870 1.00 0.00 H new ATOM 0 HG2 PRO A 94 3.357 15.153 20.482 1.00 0.00 H new ATOM 0 HG3 PRO A 94 2.052 14.016 20.207 1.00 0.00 H new ATOM 0 HD2 PRO A 94 2.703 16.303 18.603 1.00 0.00 H new ATOM 0 HD3 PRO A 94 1.331 15.233 18.394 1.00 0.00 H new ATOM 1287 N SER A 95 1.090 19.318 21.568 1.00 0.00 N ATOM 1288 CA SER A 95 1.720 20.547 22.018 1.00 0.00 C ATOM 1289 C SER A 95 1.003 21.078 23.261 1.00 0.00 C ATOM 1290 O SER A 95 -0.190 20.842 23.443 1.00 0.00 O ATOM 1291 CB SER A 95 1.717 21.604 20.912 1.00 0.00 C ATOM 1292 OG SER A 95 0.400 22.058 20.610 1.00 0.00 O ATOM 0 H SER A 95 0.130 19.426 21.240 1.00 0.00 H new ATOM 0 HA SER A 95 2.757 20.327 22.271 1.00 0.00 H new ATOM 0 HB2 SER A 95 2.331 22.451 21.218 1.00 0.00 H new ATOM 0 HB3 SER A 95 2.172 21.189 20.013 1.00 0.00 H new ATOM 0 HG SER A 95 0.441 22.733 19.901 1.00 0.00 H new ATOM 1297 N GLY A 96 1.761 21.786 24.085 1.00 0.00 N ATOM 1298 CA GLY A 96 1.213 22.352 25.306 1.00 0.00 C ATOM 1299 C GLY A 96 0.978 23.856 25.155 1.00 0.00 C ATOM 1300 O GLY A 96 0.332 24.296 24.206 1.00 0.00 O ATOM 0 H GLY A 96 2.750 21.981 23.931 1.00 0.00 H new ATOM 0 HA2 GLY A 96 0.274 21.856 25.551 1.00 0.00 H new ATOM 0 HA3 GLY A 96 1.896 22.168 26.135 1.00 0.00 H new ATOM 1304 N PRO A 97 1.530 24.626 26.132 1.00 0.00 N ATOM 1305 CA PRO A 97 1.387 26.071 26.117 1.00 0.00 C ATOM 1306 C PRO A 97 2.297 26.702 25.060 1.00 0.00 C ATOM 1307 O PRO A 97 3.273 26.088 24.630 1.00 0.00 O ATOM 1308 CB PRO A 97 1.726 26.515 27.531 1.00 0.00 C ATOM 1309 CG PRO A 97 2.492 25.361 28.158 1.00 0.00 C ATOM 1310 CD PRO A 97 2.303 24.140 27.272 1.00 0.00 C ATOM 0 HA PRO A 97 0.382 26.390 25.843 1.00 0.00 H new ATOM 0 HB2 PRO A 97 2.328 27.424 27.521 1.00 0.00 H new ATOM 0 HB3 PRO A 97 0.822 26.737 28.098 1.00 0.00 H new ATOM 0 HG2 PRO A 97 3.550 25.608 28.247 1.00 0.00 H new ATOM 0 HG3 PRO A 97 2.126 25.162 29.165 1.00 0.00 H new ATOM 0 HD2 PRO A 97 3.261 23.729 26.954 1.00 0.00 H new ATOM 0 HD3 PRO A 97 1.774 23.346 27.799 1.00 0.00 H new ATOM 1315 N SER A 98 1.943 27.917 24.671 1.00 0.00 N ATOM 1316 CA SER A 98 2.714 28.637 23.672 1.00 0.00 C ATOM 1317 C SER A 98 2.226 30.084 23.574 1.00 0.00 C ATOM 1318 O SER A 98 1.083 30.381 23.921 1.00 0.00 O ATOM 1319 CB SER A 98 2.622 27.954 22.306 1.00 0.00 C ATOM 1320 OG SER A 98 3.881 27.441 21.878 1.00 0.00 O ATOM 0 H SER A 98 1.132 28.422 25.029 1.00 0.00 H new ATOM 0 HA SER A 98 3.759 28.633 23.981 1.00 0.00 H new ATOM 0 HB2 SER A 98 1.898 27.141 22.356 1.00 0.00 H new ATOM 0 HB3 SER A 98 2.252 28.667 21.569 1.00 0.00 H new ATOM 0 HG SER A 98 3.779 27.012 21.003 1.00 0.00 H new ATOM 1325 N SER A 99 3.115 30.945 23.103 1.00 0.00 N ATOM 1326 CA SER A 99 2.789 32.353 22.956 1.00 0.00 C ATOM 1327 C SER A 99 2.536 32.977 24.330 1.00 0.00 C ATOM 1328 O SER A 99 2.281 32.267 25.301 1.00 0.00 O ATOM 1329 CB SER A 99 1.568 32.545 22.053 1.00 0.00 C ATOM 1330 OG SER A 99 1.887 33.277 20.873 1.00 0.00 O ATOM 0 H SER A 99 4.062 30.695 22.818 1.00 0.00 H new ATOM 0 HA SER A 99 3.636 32.853 22.487 1.00 0.00 H new ATOM 0 HB2 SER A 99 1.164 31.571 21.777 1.00 0.00 H new ATOM 0 HB3 SER A 99 0.788 33.069 22.605 1.00 0.00 H new ATOM 0 HG SER A 99 1.082 33.377 20.322 1.00 0.00 H new ATOM 1335 N GLY A 100 2.613 34.299 24.367 1.00 0.00 N ATOM 1336 CA GLY A 100 2.396 35.027 25.606 1.00 0.00 C ATOM 1337 C GLY A 100 2.659 36.522 25.417 1.00 0.00 C ATOM 1338 O GLY A 100 3.578 36.909 24.697 1.00 0.00 O ATOM 0 H GLY A 100 2.823 34.885 23.559 1.00 0.00 H new ATOM 0 HA2 GLY A 100 1.372 34.875 25.947 1.00 0.00 H new ATOM 0 HA3 GLY A 100 3.052 34.634 26.383 1.00 0.00 H new TER 1342 GLY A 100