USER MOD reduce.3.24.130724 H: found=0, std=0, add=792, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 674 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 86 MET CE :methyl -149:sc= -4.63 (180deg=-6.64!) USER MOD Set 1.2: A 90 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 2 GLN : amide:sc= 0.678 K(o=0.13,f=-4.7) USER MOD Set 2.2: A 4 ASN : amide:sc= 0.829 K(o=0.13,f=-4.2) USER MOD Set 2.3: A 68 HIS : no HE2:sc= -2.91! C(o=0.13!,f=-5.6!) USER MOD Set 2.4: A 69 THR OG1 : rot -106:sc= 0.59 USER MOD Set 2.5: A 89 ASN : amide:sc= 0.939 K(o=0.13,f=-2.6) USER MOD Set 3.1: A 25 ASN : amide:sc= -0.033 K(o=-1.4,f=-8.4!) USER MOD Set 3.2: A 29 HIS : no HD1:sc= -1.32 K(o=-1.4,f=1.4) USER MOD Single : A 1 MET CE :methyl 142:sc= -0.201 (180deg=-0.833) USER MOD Single : A 1 MET N :NH3+ -178:sc= -0.189 (180deg=-0.207) USER MOD Single : A 7 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 TYR OH : rot -6:sc= 0.447 USER MOD Single : A 31 HIS : no HD1:sc= -0.689 K(o=-0.69,f=0.16) USER MOD Single : A 33 THR OG1 : rot 80:sc=-0.00211 USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 36 ASN : amide:sc= -1.09 K(o=-1.1,f=-0.37) USER MOD Single : A 38 ASN : amide:sc= 0 X(o=0,f=-0.016) USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 ASN : amide:sc= 0.655 K(o=0.66,f=-5.6!) USER MOD Single : A 45 ASN : amide:sc= -2.37! K(o=-2.4!,f=-0.044) USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 THR OG1 : rot 43:sc= 0.0775 USER MOD Single : A 65 ASN : amide:sc= -0.136 K(o=-0.14,f=-1.9!) USER MOD Single : A 71 THR OG1 : rot 46:sc= 0.259 USER MOD Single : A 73 SER OG : rot -139:sc= 0.195 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 GLN : amide:sc=-0.00412 K(o=-0.0041,f=-0.97) USER MOD Single : A 81 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 84 SER OG : rot -87:sc= -1.4 USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 94 ASN : amide:sc= -0.945! K(o=-0.95!,f=-2.2) USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 96 TYR OH : rot 180:sc= 0 USER MOD Single : A 98 TYR OH : rot 180:sc= 0 USER MOD Single : A 99 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 105 SER OG : rot -17:sc= 0.715 USER MOD Single : A 106 ASN : amide:sc= 0.0183 X(o=0.018,f=0.033) USER MOD Single : A 109 HIS : no HD1:sc= 0 X(o=0,f=-0.0016) USER MOD Single : A 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 113 SER OG : rot 180:sc= 0 USER MOD Single : A 114 SER OG : rot 180:sc= 0 USER MOD Single : A 115 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 17.252 -6.021 -0.277 1.00 0.00 N ATOM 2 CA MET A 1 17.521 -4.697 -0.886 1.00 0.00 C ATOM 3 C MET A 1 16.224 -3.923 -1.112 1.00 0.00 C ATOM 4 O MET A 1 16.207 -2.695 -1.045 1.00 0.00 O ATOM 5 CB MET A 1 18.281 -4.852 -2.209 1.00 0.00 C ATOM 6 CG MET A 1 17.518 -5.601 -3.288 1.00 0.00 C ATOM 7 SD MET A 1 18.470 -5.776 -4.810 1.00 0.00 S ATOM 8 CE MET A 1 19.868 -6.733 -4.227 1.00 0.00 C ATOM 0 H1 MET A 1 18.152 -6.512 -0.103 1.00 0.00 H new ATOM 0 H2 MET A 1 16.747 -5.893 0.623 1.00 0.00 H new ATOM 0 H3 MET A 1 16.668 -6.588 -0.924 1.00 0.00 H new ATOM 0 HA MET A 1 18.142 -4.132 -0.191 1.00 0.00 H new ATOM 0 HB2 MET A 1 18.538 -3.861 -2.584 1.00 0.00 H new ATOM 0 HB3 MET A 1 19.219 -5.373 -2.016 1.00 0.00 H new ATOM 0 HG2 MET A 1 17.246 -6.589 -2.917 1.00 0.00 H new ATOM 0 HG3 MET A 1 16.588 -5.075 -3.503 1.00 0.00 H new ATOM 0 HE1 MET A 1 20.155 -7.459 -4.988 1.00 0.00 H new ATOM 0 HE2 MET A 1 20.707 -6.067 -4.027 1.00 0.00 H new ATOM 0 HE3 MET A 1 19.594 -7.257 -3.311 1.00 0.00 H new ATOM 18 N GLN A 2 15.139 -4.641 -1.381 1.00 0.00 N ATOM 19 CA GLN A 2 13.844 -4.018 -1.612 1.00 0.00 C ATOM 20 C GLN A 2 12.770 -4.713 -0.787 1.00 0.00 C ATOM 21 O GLN A 2 13.079 -5.501 0.106 1.00 0.00 O ATOM 22 CB GLN A 2 13.469 -4.072 -3.097 1.00 0.00 C ATOM 23 CG GLN A 2 14.359 -3.228 -3.993 1.00 0.00 C ATOM 24 CD GLN A 2 13.946 -3.301 -5.448 1.00 0.00 C ATOM 25 OE1 GLN A 2 12.772 -3.502 -5.763 1.00 0.00 O ATOM 26 NE2 GLN A 2 14.904 -3.120 -6.342 1.00 0.00 N ATOM 0 H GLN A 2 15.133 -5.659 -1.444 1.00 0.00 H new ATOM 0 HA GLN A 2 13.913 -2.974 -1.307 1.00 0.00 H new ATOM 0 HB2 GLN A 2 13.511 -5.108 -3.434 1.00 0.00 H new ATOM 0 HB3 GLN A 2 12.437 -3.741 -3.212 1.00 0.00 H new ATOM 0 HG2 GLN A 2 14.326 -2.191 -3.660 1.00 0.00 H new ATOM 0 HG3 GLN A 2 15.392 -3.562 -3.894 1.00 0.00 H new ATOM 0 HE21 GLN A 2 15.863 -2.956 -6.036 1.00 0.00 H new ATOM 0 HE22 GLN A 2 14.684 -3.144 -7.338 1.00 0.00 H new ATOM 33 N CYS A 3 11.513 -4.423 -1.086 1.00 0.00 N ATOM 34 CA CYS A 3 10.404 -5.028 -0.366 1.00 0.00 C ATOM 35 C CYS A 3 9.510 -5.830 -1.313 1.00 0.00 C ATOM 36 O CYS A 3 9.530 -7.059 -1.286 1.00 0.00 O ATOM 37 CB CYS A 3 9.609 -3.953 0.369 1.00 0.00 C ATOM 38 SG CYS A 3 10.518 -3.179 1.746 1.00 0.00 S ATOM 0 H CYS A 3 11.236 -3.773 -1.822 1.00 0.00 H new ATOM 0 HA CYS A 3 10.804 -5.723 0.372 1.00 0.00 H new ATOM 0 HB2 CYS A 3 9.318 -3.180 -0.342 1.00 0.00 H new ATOM 0 HB3 CYS A 3 8.690 -4.394 0.755 1.00 0.00 H new ATOM 42 N ASN A 4 8.742 -5.126 -2.152 1.00 0.00 N ATOM 43 CA ASN A 4 7.846 -5.757 -3.131 1.00 0.00 C ATOM 44 C ASN A 4 6.920 -6.789 -2.490 1.00 0.00 C ATOM 45 O ASN A 4 7.197 -7.985 -2.522 1.00 0.00 O ATOM 46 CB ASN A 4 8.652 -6.417 -4.261 1.00 0.00 C ATOM 47 CG ASN A 4 9.487 -5.427 -5.047 1.00 0.00 C ATOM 48 OD1 ASN A 4 8.990 -4.758 -5.952 1.00 0.00 O ATOM 49 ND2 ASN A 4 10.769 -5.355 -4.730 1.00 0.00 N ATOM 0 H ASN A 4 8.723 -4.106 -2.173 1.00 0.00 H new ATOM 0 HA ASN A 4 7.225 -4.962 -3.544 1.00 0.00 H new ATOM 0 HB2 ASN A 4 9.305 -7.179 -3.837 1.00 0.00 H new ATOM 0 HB3 ASN A 4 7.967 -6.926 -4.939 1.00 0.00 H new ATOM 0 HD21 ASN A 4 11.387 -4.727 -5.244 1.00 0.00 H new ATOM 0 HD22 ASN A 4 11.140 -5.928 -3.972 1.00 0.00 H new ATOM 55 N PHE A 5 5.816 -6.329 -1.911 1.00 0.00 N ATOM 56 CA PHE A 5 4.861 -7.238 -1.278 1.00 0.00 C ATOM 57 C PHE A 5 4.299 -8.228 -2.306 1.00 0.00 C ATOM 58 O PHE A 5 4.060 -9.394 -2.004 1.00 0.00 O ATOM 59 CB PHE A 5 3.716 -6.461 -0.613 1.00 0.00 C ATOM 60 CG PHE A 5 2.653 -5.975 -1.559 1.00 0.00 C ATOM 61 CD1 PHE A 5 2.859 -4.855 -2.348 1.00 0.00 C ATOM 62 CD2 PHE A 5 1.445 -6.648 -1.656 1.00 0.00 C ATOM 63 CE1 PHE A 5 1.880 -4.417 -3.217 1.00 0.00 C ATOM 64 CE2 PHE A 5 0.463 -6.215 -2.522 1.00 0.00 C ATOM 65 CZ PHE A 5 0.681 -5.098 -3.303 1.00 0.00 C ATOM 0 H PHE A 5 5.560 -5.343 -1.866 1.00 0.00 H new ATOM 0 HA PHE A 5 5.391 -7.794 -0.505 1.00 0.00 H new ATOM 0 HB2 PHE A 5 3.250 -7.099 0.138 1.00 0.00 H new ATOM 0 HB3 PHE A 5 4.135 -5.603 -0.087 1.00 0.00 H new ATOM 0 HD1 PHE A 5 3.795 -4.319 -2.283 1.00 0.00 H new ATOM 0 HD2 PHE A 5 1.271 -7.522 -1.046 1.00 0.00 H new ATOM 0 HE1 PHE A 5 2.051 -3.543 -3.829 1.00 0.00 H new ATOM 0 HE2 PHE A 5 -0.474 -6.748 -2.589 1.00 0.00 H new ATOM 0 HZ PHE A 5 -0.086 -4.756 -3.982 1.00 0.00 H new ATOM 74 N ALA A 6 4.133 -7.742 -3.533 1.00 0.00 N ATOM 75 CA ALA A 6 3.586 -8.525 -4.638 1.00 0.00 C ATOM 76 C ALA A 6 4.581 -9.550 -5.166 1.00 0.00 C ATOM 77 O ALA A 6 4.190 -10.511 -5.826 1.00 0.00 O ATOM 78 CB ALA A 6 3.158 -7.597 -5.760 1.00 0.00 C ATOM 0 H ALA A 6 4.376 -6.786 -3.791 1.00 0.00 H new ATOM 0 HA ALA A 6 2.724 -9.073 -4.257 1.00 0.00 H new ATOM 0 HB1 ALA A 6 2.750 -8.185 -6.583 1.00 0.00 H new ATOM 0 HB2 ALA A 6 2.396 -6.909 -5.393 1.00 0.00 H new ATOM 0 HB3 ALA A 6 4.020 -7.030 -6.112 1.00 0.00 H new ATOM 84 N ASN A 7 5.858 -9.340 -4.864 1.00 0.00 N ATOM 85 CA ASN A 7 6.933 -10.219 -5.334 1.00 0.00 C ATOM 86 C ASN A 7 6.634 -11.682 -5.027 1.00 0.00 C ATOM 87 O ASN A 7 6.997 -12.577 -5.790 1.00 0.00 O ATOM 88 CB ASN A 7 8.246 -9.823 -4.661 1.00 0.00 C ATOM 89 CG ASN A 7 9.470 -10.303 -5.412 1.00 0.00 C ATOM 90 OD1 ASN A 7 9.951 -11.420 -5.206 1.00 0.00 O ATOM 91 ND2 ASN A 7 9.994 -9.449 -6.277 1.00 0.00 N ATOM 0 H ASN A 7 6.180 -8.561 -4.290 1.00 0.00 H new ATOM 0 HA ASN A 7 7.012 -10.106 -6.415 1.00 0.00 H new ATOM 0 HB2 ASN A 7 8.287 -8.738 -4.569 1.00 0.00 H new ATOM 0 HB3 ASN A 7 8.266 -10.230 -3.650 1.00 0.00 H new ATOM 0 HD21 ASN A 7 10.829 -9.705 -6.805 1.00 0.00 H new ATOM 0 HD22 ASN A 7 9.563 -8.535 -6.416 1.00 0.00 H new ATOM 97 N SER A 8 5.962 -11.923 -3.911 1.00 0.00 N ATOM 98 CA SER A 8 5.614 -13.274 -3.522 1.00 0.00 C ATOM 99 C SER A 8 4.175 -13.343 -3.018 1.00 0.00 C ATOM 100 O SER A 8 3.837 -14.205 -2.212 1.00 0.00 O ATOM 101 CB SER A 8 6.576 -13.777 -2.442 1.00 0.00 C ATOM 102 OG SER A 8 7.930 -13.654 -2.855 1.00 0.00 O ATOM 0 H SER A 8 5.649 -11.200 -3.263 1.00 0.00 H new ATOM 0 HA SER A 8 5.699 -13.914 -4.400 1.00 0.00 H new ATOM 0 HB2 SER A 8 6.422 -13.211 -1.523 1.00 0.00 H new ATOM 0 HB3 SER A 8 6.357 -14.820 -2.215 1.00 0.00 H new ATOM 0 HG SER A 8 8.520 -13.982 -2.144 1.00 0.00 H new ATOM 107 N CYS A 9 3.327 -12.437 -3.491 1.00 0.00 N ATOM 108 CA CYS A 9 1.931 -12.432 -3.066 1.00 0.00 C ATOM 109 C CYS A 9 0.996 -12.611 -4.251 1.00 0.00 C ATOM 110 O CYS A 9 1.137 -11.946 -5.279 1.00 0.00 O ATOM 111 CB CYS A 9 1.581 -11.139 -2.331 1.00 0.00 C ATOM 112 SG CYS A 9 0.893 -11.406 -0.661 1.00 0.00 S ATOM 0 H CYS A 9 3.575 -11.707 -4.159 1.00 0.00 H new ATOM 0 HA CYS A 9 1.801 -13.272 -2.383 1.00 0.00 H new ATOM 0 HB2 CYS A 9 2.477 -10.523 -2.251 1.00 0.00 H new ATOM 0 HB3 CYS A 9 0.860 -10.577 -2.925 1.00 0.00 H new ATOM 116 N THR A 10 0.034 -13.505 -4.096 1.00 0.00 N ATOM 117 CA THR A 10 -0.929 -13.779 -5.142 1.00 0.00 C ATOM 118 C THR A 10 -2.352 -13.774 -4.590 1.00 0.00 C ATOM 119 O THR A 10 -2.564 -13.997 -3.395 1.00 0.00 O ATOM 120 CB THR A 10 -0.635 -15.130 -5.820 1.00 0.00 C ATOM 121 OG1 THR A 10 -0.448 -16.146 -4.826 1.00 0.00 O ATOM 122 CG2 THR A 10 0.604 -15.041 -6.693 1.00 0.00 C ATOM 0 H THR A 10 -0.099 -14.056 -3.248 1.00 0.00 H new ATOM 0 HA THR A 10 -0.841 -12.987 -5.886 1.00 0.00 H new ATOM 0 HB THR A 10 -1.487 -15.386 -6.450 1.00 0.00 H new ATOM 0 HG1 THR A 10 -0.263 -17.003 -5.265 1.00 0.00 H new ATOM 0 HG21 THR A 10 0.790 -16.008 -7.160 1.00 0.00 H new ATOM 0 HG22 THR A 10 0.451 -14.288 -7.466 1.00 0.00 H new ATOM 0 HG23 THR A 10 1.462 -14.763 -6.080 1.00 0.00 H new ATOM 130 N GLY A 11 -3.320 -13.514 -5.464 1.00 0.00 N ATOM 131 CA GLY A 11 -4.717 -13.479 -5.058 1.00 0.00 C ATOM 132 C GLY A 11 -5.021 -12.310 -4.139 1.00 0.00 C ATOM 133 O GLY A 11 -5.912 -12.386 -3.291 1.00 0.00 O ATOM 0 H GLY A 11 -3.161 -13.325 -6.454 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -5.349 -13.416 -5.944 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -4.969 -14.411 -4.552 1.00 0.00 H new ATOM 137 N VAL A 12 -4.287 -11.223 -4.321 1.00 0.00 N ATOM 138 CA VAL A 12 -4.461 -10.031 -3.503 1.00 0.00 C ATOM 139 C VAL A 12 -5.689 -9.229 -3.929 1.00 0.00 C ATOM 140 O VAL A 12 -5.923 -9.009 -5.120 1.00 0.00 O ATOM 141 CB VAL A 12 -3.209 -9.128 -3.552 1.00 0.00 C ATOM 142 CG1 VAL A 12 -2.039 -9.797 -2.848 1.00 0.00 C ATOM 143 CG2 VAL A 12 -2.839 -8.797 -4.989 1.00 0.00 C ATOM 0 H VAL A 12 -3.561 -11.141 -5.032 1.00 0.00 H new ATOM 0 HA VAL A 12 -4.609 -10.373 -2.479 1.00 0.00 H new ATOM 0 HB VAL A 12 -3.442 -8.198 -3.033 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -1.166 -9.145 -2.893 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -2.299 -9.983 -1.806 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -1.811 -10.743 -3.339 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -1.954 -8.160 -4.999 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -2.629 -9.718 -5.532 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -3.668 -8.275 -5.467 1.00 0.00 H new ATOM 153 N GLU A 13 -6.474 -8.811 -2.947 1.00 0.00 N ATOM 154 CA GLU A 13 -7.676 -8.027 -3.202 1.00 0.00 C ATOM 155 C GLU A 13 -7.702 -6.778 -2.324 1.00 0.00 C ATOM 156 O GLU A 13 -7.137 -6.774 -1.227 1.00 0.00 O ATOM 157 CB GLU A 13 -8.928 -8.871 -2.957 1.00 0.00 C ATOM 158 CG GLU A 13 -8.961 -9.531 -1.588 1.00 0.00 C ATOM 159 CD GLU A 13 -10.242 -10.297 -1.341 1.00 0.00 C ATOM 160 OE1 GLU A 13 -10.336 -11.468 -1.775 1.00 0.00 O ATOM 161 OE2 GLU A 13 -11.161 -9.731 -0.712 1.00 0.00 O ATOM 0 H GLU A 13 -6.300 -9.002 -1.960 1.00 0.00 H new ATOM 0 HA GLU A 13 -7.664 -7.715 -4.246 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -9.809 -8.239 -3.067 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -8.991 -9.643 -3.724 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -8.113 -10.210 -1.496 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -8.844 -8.768 -0.818 1.00 0.00 H new ATOM 166 N LEU A 14 -8.359 -5.731 -2.808 1.00 0.00 N ATOM 167 CA LEU A 14 -8.456 -4.472 -2.079 1.00 0.00 C ATOM 168 C LEU A 14 -9.911 -4.091 -1.829 1.00 0.00 C ATOM 169 O LEU A 14 -10.622 -3.673 -2.741 1.00 0.00 O ATOM 170 CB LEU A 14 -7.742 -3.356 -2.859 1.00 0.00 C ATOM 171 CG LEU A 14 -7.875 -1.934 -2.284 1.00 0.00 C ATOM 172 CD1 LEU A 14 -7.692 -1.923 -0.773 1.00 0.00 C ATOM 173 CD2 LEU A 14 -6.861 -1.018 -2.927 1.00 0.00 C ATOM 0 H LEU A 14 -8.836 -5.730 -3.710 1.00 0.00 H new ATOM 0 HA LEU A 14 -7.970 -4.601 -1.112 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -6.682 -3.604 -2.919 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -8.126 -3.351 -3.879 1.00 0.00 H new ATOM 0 HG LEU A 14 -8.881 -1.579 -2.506 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -7.792 -0.903 -0.402 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -8.451 -2.554 -0.310 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -6.702 -2.304 -0.524 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -6.963 -0.015 -2.514 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -5.856 -1.391 -2.729 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -7.031 -0.986 -4.003 1.00 0.00 H new ATOM 184 N TYR A 15 -10.347 -4.238 -0.590 1.00 0.00 N ATOM 185 CA TYR A 15 -11.706 -3.891 -0.220 1.00 0.00 C ATOM 186 C TYR A 15 -11.699 -3.088 1.074 1.00 0.00 C ATOM 187 O TYR A 15 -11.301 -3.589 2.123 1.00 0.00 O ATOM 188 CB TYR A 15 -12.570 -5.147 -0.065 1.00 0.00 C ATOM 189 CG TYR A 15 -14.037 -4.848 0.149 1.00 0.00 C ATOM 190 CD1 TYR A 15 -14.868 -4.553 -0.924 1.00 0.00 C ATOM 191 CD2 TYR A 15 -14.591 -4.855 1.425 1.00 0.00 C ATOM 192 CE1 TYR A 15 -16.207 -4.273 -0.733 1.00 0.00 C ATOM 193 CE2 TYR A 15 -15.929 -4.578 1.622 1.00 0.00 C ATOM 194 CZ TYR A 15 -16.731 -4.286 0.541 1.00 0.00 C ATOM 195 OH TYR A 15 -18.062 -4.002 0.734 1.00 0.00 O ATOM 0 H TYR A 15 -9.778 -4.596 0.177 1.00 0.00 H new ATOM 0 HA TYR A 15 -12.138 -3.283 -1.015 1.00 0.00 H new ATOM 0 HB2 TYR A 15 -12.460 -5.766 -0.955 1.00 0.00 H new ATOM 0 HB3 TYR A 15 -12.200 -5.731 0.777 1.00 0.00 H new ATOM 0 HD1 TYR A 15 -14.461 -4.542 -1.924 1.00 0.00 H new ATOM 0 HD2 TYR A 15 -13.964 -5.081 2.275 1.00 0.00 H new ATOM 0 HE1 TYR A 15 -16.840 -4.045 -1.578 1.00 0.00 H new ATOM 0 HE2 TYR A 15 -16.345 -4.590 2.619 1.00 0.00 H new ATOM 0 HH TYR A 15 -18.272 -4.055 1.690 1.00 0.00 H new ATOM 204 N GLY A 16 -12.114 -1.832 0.984 1.00 0.00 N ATOM 205 CA GLY A 16 -12.155 -0.977 2.157 1.00 0.00 C ATOM 206 C GLY A 16 -10.778 -0.528 2.603 1.00 0.00 C ATOM 207 O GLY A 16 -10.506 -0.445 3.800 1.00 0.00 O ATOM 0 H GLY A 16 -12.424 -1.388 0.119 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -12.766 -0.101 1.941 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -12.641 -1.511 2.974 1.00 0.00 H new ATOM 211 N TYR A 17 -9.912 -0.237 1.630 1.00 0.00 N ATOM 212 CA TYR A 17 -8.538 0.216 1.885 1.00 0.00 C ATOM 213 C TYR A 17 -7.725 -0.875 2.587 1.00 0.00 C ATOM 214 O TYR A 17 -6.750 -0.589 3.289 1.00 0.00 O ATOM 215 CB TYR A 17 -8.515 1.510 2.717 1.00 0.00 C ATOM 216 CG TYR A 17 -9.522 2.547 2.273 1.00 0.00 C ATOM 217 CD1 TYR A 17 -9.335 3.271 1.105 1.00 0.00 C ATOM 218 CD2 TYR A 17 -10.666 2.791 3.021 1.00 0.00 C ATOM 219 CE1 TYR A 17 -10.259 4.213 0.697 1.00 0.00 C ATOM 220 CE2 TYR A 17 -11.595 3.729 2.619 1.00 0.00 C ATOM 221 CZ TYR A 17 -11.388 4.436 1.456 1.00 0.00 C ATOM 222 OH TYR A 17 -12.307 5.374 1.051 1.00 0.00 O ATOM 0 H TYR A 17 -10.142 -0.308 0.639 1.00 0.00 H new ATOM 0 HA TYR A 17 -8.082 0.427 0.918 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -8.702 1.261 3.762 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -7.516 1.944 2.667 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -8.454 3.096 0.506 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -10.832 2.237 3.933 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -10.098 4.772 -0.213 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -12.479 3.907 3.213 1.00 0.00 H new ATOM 0 HH TYR A 17 -11.961 5.856 0.271 1.00 0.00 H new ATOM 231 N ILE A 18 -8.132 -2.126 2.382 1.00 0.00 N ATOM 232 CA ILE A 18 -7.462 -3.274 2.978 1.00 0.00 C ATOM 233 C ILE A 18 -6.982 -4.221 1.892 1.00 0.00 C ATOM 234 O ILE A 18 -7.769 -4.660 1.053 1.00 0.00 O ATOM 235 CB ILE A 18 -8.403 -4.050 3.918 1.00 0.00 C ATOM 236 CG1 ILE A 18 -9.199 -3.073 4.773 1.00 0.00 C ATOM 237 CG2 ILE A 18 -7.608 -5.008 4.794 1.00 0.00 C ATOM 238 CD1 ILE A 18 -10.248 -3.728 5.645 1.00 0.00 C ATOM 0 H ILE A 18 -8.933 -2.369 1.800 1.00 0.00 H new ATOM 0 HA ILE A 18 -6.617 -2.894 3.553 1.00 0.00 H new ATOM 0 HB ILE A 18 -9.098 -4.638 3.319 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -8.509 -2.517 5.408 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -9.685 -2.348 4.120 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -8.288 -5.549 5.452 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -7.072 -5.718 4.164 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -6.893 -4.445 5.394 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -10.770 -2.965 6.222 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -10.963 -4.260 5.017 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -9.768 -4.432 6.325 1.00 0.00 H new ATOM 249 N LEU A 19 -5.699 -4.523 1.907 1.00 0.00 N ATOM 250 CA LEU A 19 -5.111 -5.416 0.928 1.00 0.00 C ATOM 251 C LEU A 19 -4.890 -6.775 1.553 1.00 0.00 C ATOM 252 O LEU A 19 -4.079 -6.918 2.458 1.00 0.00 O ATOM 253 CB LEU A 19 -3.770 -4.859 0.442 1.00 0.00 C ATOM 254 CG LEU A 19 -3.570 -4.858 -1.071 1.00 0.00 C ATOM 255 CD1 LEU A 19 -3.636 -6.268 -1.633 1.00 0.00 C ATOM 256 CD2 LEU A 19 -4.609 -3.974 -1.725 1.00 0.00 C ATOM 0 H LEU A 19 -5.038 -4.159 2.593 1.00 0.00 H new ATOM 0 HA LEU A 19 -5.789 -5.505 0.079 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -3.668 -3.836 0.805 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -2.968 -5.441 0.897 1.00 0.00 H new ATOM 0 HG LEU A 19 -2.578 -4.461 -1.289 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -3.490 -6.237 -2.713 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -2.855 -6.878 -1.179 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -4.611 -6.703 -1.411 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -4.462 -3.977 -2.805 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -5.605 -4.351 -1.494 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -4.510 -2.956 -1.348 1.00 0.00 H new ATOM 267 N ARG A 20 -5.601 -7.771 1.083 1.00 0.00 N ATOM 268 CA ARG A 20 -5.437 -9.099 1.622 1.00 0.00 C ATOM 269 C ARG A 20 -5.070 -10.057 0.513 1.00 0.00 C ATOM 270 O ARG A 20 -5.681 -10.044 -0.555 1.00 0.00 O ATOM 271 CB ARG A 20 -6.706 -9.570 2.318 1.00 0.00 C ATOM 272 CG ARG A 20 -6.509 -10.847 3.113 1.00 0.00 C ATOM 273 CD ARG A 20 -7.728 -11.741 3.003 1.00 0.00 C ATOM 274 NE ARG A 20 -8.942 -11.072 3.468 1.00 0.00 N ATOM 275 CZ ARG A 20 -10.091 -11.066 2.796 1.00 0.00 C ATOM 276 NH1 ARG A 20 -10.195 -11.723 1.645 1.00 0.00 N ATOM 277 NH2 ARG A 20 -11.139 -10.407 3.278 1.00 0.00 N ATOM 0 H ARG A 20 -6.291 -7.690 0.337 1.00 0.00 H new ATOM 0 HA ARG A 20 -4.636 -9.073 2.361 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -7.060 -8.784 2.985 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -7.485 -9.730 1.572 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -5.629 -11.377 2.747 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -6.323 -10.605 4.159 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -7.859 -12.050 1.966 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -7.567 -12.647 3.587 1.00 0.00 H new ATOM 0 HE ARG A 20 -8.906 -10.580 4.361 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -9.393 -12.233 1.275 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -11.077 -11.717 1.132 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -11.063 -9.906 4.163 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -12.019 -10.402 2.763 1.00 0.00 H new ATOM 288 N GLY A 21 -4.075 -10.880 0.762 1.00 0.00 N ATOM 289 CA GLY A 21 -3.648 -11.832 -0.232 1.00 0.00 C ATOM 290 C GLY A 21 -2.810 -12.932 0.360 1.00 0.00 C ATOM 291 O GLY A 21 -2.657 -13.018 1.580 1.00 0.00 O ATOM 0 H GLY A 21 -3.552 -10.908 1.637 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -4.522 -12.265 -0.718 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -3.076 -11.317 -1.004 1.00 0.00 H new ATOM 295 N ASP A 22 -2.268 -13.767 -0.503 1.00 0.00 N ATOM 296 CA ASP A 22 -1.442 -14.881 -0.083 1.00 0.00 C ATOM 297 C ASP A 22 0.021 -14.608 -0.387 1.00 0.00 C ATOM 298 O ASP A 22 0.431 -14.608 -1.548 1.00 0.00 O ATOM 299 CB ASP A 22 -1.887 -16.165 -0.790 1.00 0.00 C ATOM 300 CG ASP A 22 -3.104 -16.805 -0.151 1.00 0.00 C ATOM 301 OD1 ASP A 22 -4.160 -16.143 -0.061 1.00 0.00 O ATOM 302 OD2 ASP A 22 -3.021 -17.991 0.242 1.00 0.00 O ATOM 0 H ASP A 22 -2.387 -13.693 -1.513 1.00 0.00 H new ATOM 0 HA ASP A 22 -1.558 -15.006 0.994 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -2.108 -15.940 -1.833 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -1.064 -16.879 -0.785 1.00 0.00 H new ATOM 306 N CYS A 23 0.808 -14.385 0.652 1.00 0.00 N ATOM 307 CA CYS A 23 2.229 -14.123 0.482 1.00 0.00 C ATOM 308 C CYS A 23 3.016 -15.358 0.880 1.00 0.00 C ATOM 309 O CYS A 23 2.786 -15.939 1.938 1.00 0.00 O ATOM 310 CB CYS A 23 2.676 -12.931 1.338 1.00 0.00 C ATOM 311 SG CYS A 23 2.512 -11.283 0.557 1.00 0.00 S ATOM 0 H CYS A 23 0.489 -14.380 1.621 1.00 0.00 H new ATOM 0 HA CYS A 23 2.415 -13.881 -0.564 1.00 0.00 H new ATOM 0 HB2 CYS A 23 2.097 -12.934 2.262 1.00 0.00 H new ATOM 0 HB3 CYS A 23 3.720 -13.078 1.616 1.00 0.00 H new ATOM 315 N ILE A 24 3.950 -15.749 0.035 1.00 0.00 N ATOM 316 CA ILE A 24 4.765 -16.929 0.275 1.00 0.00 C ATOM 317 C ILE A 24 5.765 -16.687 1.401 1.00 0.00 C ATOM 318 O ILE A 24 6.317 -15.594 1.533 1.00 0.00 O ATOM 319 CB ILE A 24 5.517 -17.347 -1.011 1.00 0.00 C ATOM 320 CG1 ILE A 24 4.513 -17.665 -2.124 1.00 0.00 C ATOM 321 CG2 ILE A 24 6.427 -18.534 -0.755 1.00 0.00 C ATOM 322 CD1 ILE A 24 5.151 -18.136 -3.414 1.00 0.00 C ATOM 0 H ILE A 24 4.167 -15.262 -0.834 1.00 0.00 H new ATOM 0 HA ILE A 24 4.095 -17.736 0.572 1.00 0.00 H new ATOM 0 HB ILE A 24 6.144 -16.514 -1.328 1.00 0.00 H new ATOM 0 HG12 ILE A 24 3.825 -18.433 -1.770 1.00 0.00 H new ATOM 0 HG13 ILE A 24 3.919 -16.774 -2.329 1.00 0.00 H new ATOM 0 HG21 ILE A 24 6.941 -18.804 -1.677 1.00 0.00 H new ATOM 0 HG22 ILE A 24 7.161 -18.272 0.007 1.00 0.00 H new ATOM 0 HG23 ILE A 24 5.833 -19.380 -0.410 1.00 0.00 H new ATOM 0 HD11 ILE A 24 4.374 -18.340 -4.151 1.00 0.00 H new ATOM 0 HD12 ILE A 24 5.817 -17.362 -3.794 1.00 0.00 H new ATOM 0 HD13 ILE A 24 5.722 -19.046 -3.227 1.00 0.00 H new ATOM 333 N ASN A 25 5.980 -17.715 2.212 1.00 0.00 N ATOM 334 CA ASN A 25 6.906 -17.628 3.332 1.00 0.00 C ATOM 335 C ASN A 25 8.149 -18.467 3.060 1.00 0.00 C ATOM 336 O ASN A 25 8.318 -18.976 1.956 1.00 0.00 O ATOM 337 CB ASN A 25 6.220 -18.090 4.625 1.00 0.00 C ATOM 338 CG ASN A 25 6.137 -19.596 4.755 1.00 0.00 C ATOM 339 OD1 ASN A 25 6.961 -20.217 5.419 1.00 0.00 O ATOM 340 ND2 ASN A 25 5.158 -20.201 4.113 1.00 0.00 N ATOM 0 H ASN A 25 5.523 -18.622 2.114 1.00 0.00 H new ATOM 0 HA ASN A 25 7.211 -16.588 3.452 1.00 0.00 H new ATOM 0 HB2 ASN A 25 6.764 -17.688 5.480 1.00 0.00 H new ATOM 0 HB3 ASN A 25 5.214 -17.673 4.663 1.00 0.00 H new ATOM 0 HD21 ASN A 25 5.068 -21.216 4.159 1.00 0.00 H new ATOM 0 HD22 ASN A 25 4.490 -19.654 3.570 1.00 0.00 H new ATOM 346 N GLU A 26 8.997 -18.627 4.071 1.00 0.00 N ATOM 347 CA GLU A 26 10.235 -19.399 3.944 1.00 0.00 C ATOM 348 C GLU A 26 9.984 -20.827 3.435 1.00 0.00 C ATOM 349 O GLU A 26 10.818 -21.400 2.736 1.00 0.00 O ATOM 350 CB GLU A 26 10.948 -19.447 5.297 1.00 0.00 C ATOM 351 CG GLU A 26 10.118 -20.091 6.395 1.00 0.00 C ATOM 352 CD GLU A 26 10.843 -20.156 7.721 1.00 0.00 C ATOM 353 OE1 GLU A 26 11.648 -21.088 7.917 1.00 0.00 O ATOM 354 OE2 GLU A 26 10.607 -19.278 8.577 1.00 0.00 O ATOM 0 H GLU A 26 8.849 -18.229 4.998 1.00 0.00 H new ATOM 0 HA GLU A 26 10.861 -18.899 3.206 1.00 0.00 H new ATOM 0 HB2 GLU A 26 11.882 -19.998 5.188 1.00 0.00 H new ATOM 0 HB3 GLU A 26 11.210 -18.432 5.597 1.00 0.00 H new ATOM 0 HG2 GLU A 26 9.192 -19.529 6.520 1.00 0.00 H new ATOM 0 HG3 GLU A 26 9.840 -21.100 6.089 1.00 0.00 H new ATOM 359 N ASP A 27 8.826 -21.389 3.774 1.00 0.00 N ATOM 360 CA ASP A 27 8.478 -22.746 3.365 1.00 0.00 C ATOM 361 C ASP A 27 8.070 -22.821 1.901 1.00 0.00 C ATOM 362 O ASP A 27 7.911 -23.909 1.354 1.00 0.00 O ATOM 363 CB ASP A 27 7.355 -23.303 4.240 1.00 0.00 C ATOM 364 CG ASP A 27 7.861 -23.827 5.570 1.00 0.00 C ATOM 365 OD1 ASP A 27 8.251 -25.010 5.634 1.00 0.00 O ATOM 366 OD2 ASP A 27 7.871 -23.061 6.557 1.00 0.00 O ATOM 0 H ASP A 27 8.111 -20.923 4.333 1.00 0.00 H new ATOM 0 HA ASP A 27 9.375 -23.352 3.494 1.00 0.00 H new ATOM 0 HB2 ASP A 27 6.616 -22.522 4.418 1.00 0.00 H new ATOM 0 HB3 ASP A 27 6.847 -24.106 3.706 1.00 0.00 H new ATOM 370 N GLY A 28 7.891 -21.672 1.264 1.00 0.00 N ATOM 371 CA GLY A 28 7.511 -21.666 -0.133 1.00 0.00 C ATOM 372 C GLY A 28 6.015 -21.788 -0.336 1.00 0.00 C ATOM 373 O GLY A 28 5.544 -21.888 -1.468 1.00 0.00 O ATOM 0 H GLY A 28 8.001 -20.750 1.687 1.00 0.00 H new ATOM 0 HA2 GLY A 28 7.862 -20.744 -0.596 1.00 0.00 H new ATOM 0 HA3 GLY A 28 8.011 -22.489 -0.644 1.00 0.00 H new ATOM 377 N HIS A 29 5.260 -21.774 0.754 1.00 0.00 N ATOM 378 CA HIS A 29 3.812 -21.880 0.659 1.00 0.00 C ATOM 379 C HIS A 29 3.163 -20.539 0.993 1.00 0.00 C ATOM 380 O HIS A 29 3.556 -19.866 1.951 1.00 0.00 O ATOM 381 CB HIS A 29 3.290 -23.028 1.555 1.00 0.00 C ATOM 382 CG HIS A 29 2.659 -22.634 2.866 1.00 0.00 C ATOM 383 ND1 HIS A 29 1.328 -22.287 2.995 1.00 0.00 N ATOM 384 CD2 HIS A 29 3.181 -22.570 4.114 1.00 0.00 C ATOM 385 CE1 HIS A 29 1.067 -22.024 4.263 1.00 0.00 C ATOM 386 NE2 HIS A 29 2.173 -22.191 4.962 1.00 0.00 N ATOM 0 H HIS A 29 5.622 -21.691 1.704 1.00 0.00 H new ATOM 0 HA HIS A 29 3.536 -22.128 -0.366 1.00 0.00 H new ATOM 0 HB2 HIS A 29 2.558 -23.599 0.984 1.00 0.00 H new ATOM 0 HB3 HIS A 29 4.122 -23.699 1.767 1.00 0.00 H new ATOM 0 HD2 HIS A 29 4.204 -22.779 4.390 1.00 0.00 H new ATOM 0 HE1 HIS A 29 0.109 -21.723 4.660 1.00 0.00 H new ATOM 0 HE2 HIS A 29 2.263 -22.060 5.969 1.00 0.00 H new ATOM 394 N PRO A 30 2.193 -20.117 0.168 1.00 0.00 N ATOM 395 CA PRO A 30 1.475 -18.851 0.352 1.00 0.00 C ATOM 396 C PRO A 30 0.728 -18.784 1.682 1.00 0.00 C ATOM 397 O PRO A 30 0.116 -19.760 2.114 1.00 0.00 O ATOM 398 CB PRO A 30 0.487 -18.813 -0.820 1.00 0.00 C ATOM 399 CG PRO A 30 0.395 -20.216 -1.309 1.00 0.00 C ATOM 400 CD PRO A 30 1.726 -20.845 -1.024 1.00 0.00 C ATOM 0 HA PRO A 30 2.161 -18.005 0.372 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -0.488 -18.444 -0.500 1.00 0.00 H new ATOM 0 HB3 PRO A 30 0.837 -18.145 -1.607 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -0.406 -20.753 -0.802 1.00 0.00 H new ATOM 0 HG3 PRO A 30 0.172 -20.243 -2.376 1.00 0.00 H new ATOM 0 HD2 PRO A 30 1.634 -21.914 -0.833 1.00 0.00 H new ATOM 0 HD3 PRO A 30 2.414 -20.729 -1.862 1.00 0.00 H new ATOM 405 N HIS A 31 0.792 -17.631 2.323 1.00 0.00 N ATOM 406 CA HIS A 31 0.137 -17.412 3.601 1.00 0.00 C ATOM 407 C HIS A 31 -0.813 -16.224 3.512 1.00 0.00 C ATOM 408 O HIS A 31 -0.466 -15.185 2.949 1.00 0.00 O ATOM 409 CB HIS A 31 1.191 -17.172 4.695 1.00 0.00 C ATOM 410 CG HIS A 31 0.632 -16.700 6.008 1.00 0.00 C ATOM 411 ND1 HIS A 31 0.221 -17.548 7.010 1.00 0.00 N ATOM 412 CD2 HIS A 31 0.426 -15.448 6.477 1.00 0.00 C ATOM 413 CE1 HIS A 31 -0.216 -16.840 8.032 1.00 0.00 C ATOM 414 NE2 HIS A 31 -0.102 -15.561 7.732 1.00 0.00 N ATOM 0 H HIS A 31 1.300 -16.819 1.972 1.00 0.00 H new ATOM 0 HA HIS A 31 -0.442 -18.299 3.857 1.00 0.00 H new ATOM 0 HB2 HIS A 31 1.741 -18.098 4.861 1.00 0.00 H new ATOM 0 HB3 HIS A 31 1.909 -16.435 4.335 1.00 0.00 H new ATOM 0 HD2 HIS A 31 0.640 -14.527 5.955 1.00 0.00 H new ATOM 0 HE1 HIS A 31 -0.602 -17.240 8.958 1.00 0.00 H new ATOM 0 HE2 HIS A 31 -0.365 -14.784 8.338 1.00 0.00 H new ATOM 422 N ALA A 32 -2.007 -16.383 4.070 1.00 0.00 N ATOM 423 CA ALA A 32 -3.003 -15.321 4.064 1.00 0.00 C ATOM 424 C ALA A 32 -2.572 -14.170 4.961 1.00 0.00 C ATOM 425 O ALA A 32 -2.511 -14.302 6.182 1.00 0.00 O ATOM 426 CB ALA A 32 -4.351 -15.852 4.504 1.00 0.00 C ATOM 0 H ALA A 32 -2.309 -17.240 4.533 1.00 0.00 H new ATOM 0 HA ALA A 32 -3.092 -14.948 3.044 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -5.082 -15.043 4.493 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -4.672 -16.640 3.823 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -4.271 -16.255 5.514 1.00 0.00 H new ATOM 432 N THR A 33 -2.283 -13.048 4.341 1.00 0.00 N ATOM 433 CA THR A 33 -1.848 -11.860 5.050 1.00 0.00 C ATOM 434 C THR A 33 -2.656 -10.660 4.579 1.00 0.00 C ATOM 435 O THR A 33 -3.217 -10.674 3.481 1.00 0.00 O ATOM 436 CB THR A 33 -0.340 -11.604 4.822 1.00 0.00 C ATOM 437 OG1 THR A 33 0.101 -10.464 5.572 1.00 0.00 O ATOM 438 CG2 THR A 33 -0.056 -11.379 3.345 1.00 0.00 C ATOM 0 H THR A 33 -2.342 -12.931 3.329 1.00 0.00 H new ATOM 0 HA THR A 33 -2.011 -12.012 6.117 1.00 0.00 H new ATOM 0 HB THR A 33 0.205 -12.485 5.163 1.00 0.00 H new ATOM 0 HG1 THR A 33 0.250 -10.724 6.505 1.00 0.00 H new ATOM 0 HG21 THR A 33 1.010 -11.200 3.203 1.00 0.00 H new ATOM 0 HG22 THR A 33 -0.355 -12.261 2.779 1.00 0.00 H new ATOM 0 HG23 THR A 33 -0.619 -10.514 2.994 1.00 0.00 H new ATOM 446 N SER A 34 -2.735 -9.639 5.411 1.00 0.00 N ATOM 447 CA SER A 34 -3.481 -8.450 5.063 1.00 0.00 C ATOM 448 C SER A 34 -2.758 -7.188 5.501 1.00 0.00 C ATOM 449 O SER A 34 -2.058 -7.175 6.514 1.00 0.00 O ATOM 450 CB SER A 34 -4.870 -8.506 5.679 1.00 0.00 C ATOM 451 OG SER A 34 -4.807 -8.815 7.062 1.00 0.00 O ATOM 0 H SER A 34 -2.292 -9.611 6.330 1.00 0.00 H new ATOM 0 HA SER A 34 -3.572 -8.417 3.977 1.00 0.00 H new ATOM 0 HB2 SER A 34 -5.371 -7.548 5.540 1.00 0.00 H new ATOM 0 HB3 SER A 34 -5.469 -9.256 5.163 1.00 0.00 H new ATOM 0 HG SER A 34 -5.714 -8.843 7.433 1.00 0.00 H new ATOM 456 N ILE A 35 -2.925 -6.135 4.719 1.00 0.00 N ATOM 457 CA ILE A 35 -2.305 -4.860 4.998 1.00 0.00 C ATOM 458 C ILE A 35 -3.355 -3.757 4.934 1.00 0.00 C ATOM 459 O ILE A 35 -4.262 -3.806 4.105 1.00 0.00 O ATOM 460 CB ILE A 35 -1.178 -4.521 3.990 1.00 0.00 C ATOM 461 CG1 ILE A 35 -0.306 -5.736 3.685 1.00 0.00 C ATOM 462 CG2 ILE A 35 -0.314 -3.391 4.524 1.00 0.00 C ATOM 463 CD1 ILE A 35 -0.756 -6.534 2.478 1.00 0.00 C ATOM 0 H ILE A 35 -3.495 -6.145 3.873 1.00 0.00 H new ATOM 0 HA ILE A 35 -1.866 -4.927 5.993 1.00 0.00 H new ATOM 0 HB ILE A 35 -1.656 -4.207 3.062 1.00 0.00 H new ATOM 0 HG12 ILE A 35 0.719 -5.403 3.525 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -0.296 -6.390 4.557 1.00 0.00 H new ATOM 0 HG21 ILE A 35 0.473 -3.164 3.805 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -0.929 -2.505 4.680 1.00 0.00 H new ATOM 0 HG23 ILE A 35 0.135 -3.692 5.471 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -0.084 -7.379 2.330 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -1.770 -6.900 2.641 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -0.738 -5.897 1.594 1.00 0.00 H new ATOM 474 N ASN A 36 -3.235 -2.761 5.790 1.00 0.00 N ATOM 475 CA ASN A 36 -4.191 -1.661 5.799 1.00 0.00 C ATOM 476 C ASN A 36 -3.564 -0.431 5.148 1.00 0.00 C ATOM 477 O ASN A 36 -2.961 0.399 5.824 1.00 0.00 O ATOM 478 CB ASN A 36 -4.629 -1.341 7.231 1.00 0.00 C ATOM 479 CG ASN A 36 -6.059 -0.830 7.313 1.00 0.00 C ATOM 480 OD1 ASN A 36 -6.721 -0.979 8.340 1.00 0.00 O ATOM 481 ND2 ASN A 36 -6.559 -0.249 6.234 1.00 0.00 N ATOM 0 H ASN A 36 -2.492 -2.687 6.485 1.00 0.00 H new ATOM 0 HA ASN A 36 -5.074 -1.955 5.231 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -4.533 -2.237 7.844 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -3.957 -0.594 7.653 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -7.521 0.091 6.237 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -5.983 -0.141 5.399 1.00 0.00 H new ATOM 487 N LEU A 37 -3.735 -0.314 3.831 1.00 0.00 N ATOM 488 CA LEU A 37 -3.164 0.794 3.053 1.00 0.00 C ATOM 489 C LEU A 37 -3.568 2.147 3.624 1.00 0.00 C ATOM 490 O LEU A 37 -2.826 3.122 3.523 1.00 0.00 O ATOM 491 CB LEU A 37 -3.612 0.748 1.581 1.00 0.00 C ATOM 492 CG LEU A 37 -3.346 -0.545 0.803 1.00 0.00 C ATOM 493 CD1 LEU A 37 -2.000 -1.147 1.163 1.00 0.00 C ATOM 494 CD2 LEU A 37 -4.471 -1.541 1.018 1.00 0.00 C ATOM 0 H LEU A 37 -4.270 -0.979 3.273 1.00 0.00 H new ATOM 0 HA LEU A 37 -2.082 0.675 3.112 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -4.683 0.946 1.549 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -3.121 1.566 1.054 1.00 0.00 H new ATOM 0 HG LEU A 37 -3.313 -0.295 -0.257 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -1.846 -2.062 0.592 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -1.209 -0.435 0.928 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -1.977 -1.376 2.228 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -4.263 -2.452 0.457 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -4.549 -1.778 2.079 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -5.410 -1.109 0.673 1.00 0.00 H new ATOM 505 N ASN A 38 -4.750 2.187 4.224 1.00 0.00 N ATOM 506 CA ASN A 38 -5.296 3.411 4.801 1.00 0.00 C ATOM 507 C ASN A 38 -4.340 4.063 5.800 1.00 0.00 C ATOM 508 O ASN A 38 -4.354 5.278 5.968 1.00 0.00 O ATOM 509 CB ASN A 38 -6.639 3.114 5.473 1.00 0.00 C ATOM 510 CG ASN A 38 -7.316 4.357 6.015 1.00 0.00 C ATOM 511 OD1 ASN A 38 -7.110 4.740 7.166 1.00 0.00 O ATOM 512 ND2 ASN A 38 -8.143 4.987 5.196 1.00 0.00 N ATOM 0 H ASN A 38 -5.358 1.374 4.325 1.00 0.00 H new ATOM 0 HA ASN A 38 -5.439 4.120 3.986 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -7.300 2.631 4.754 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -6.483 2.407 6.288 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -8.636 5.822 5.512 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -8.287 4.638 4.249 1.00 0.00 H new ATOM 518 N TYR A 39 -3.503 3.264 6.446 1.00 0.00 N ATOM 519 CA TYR A 39 -2.562 3.796 7.425 1.00 0.00 C ATOM 520 C TYR A 39 -1.127 3.752 6.908 1.00 0.00 C ATOM 521 O TYR A 39 -0.181 3.902 7.681 1.00 0.00 O ATOM 522 CB TYR A 39 -2.667 3.011 8.734 1.00 0.00 C ATOM 523 CG TYR A 39 -4.060 2.999 9.326 1.00 0.00 C ATOM 524 CD1 TYR A 39 -4.549 4.095 10.023 1.00 0.00 C ATOM 525 CD2 TYR A 39 -4.883 1.890 9.187 1.00 0.00 C ATOM 526 CE1 TYR A 39 -5.822 4.087 10.565 1.00 0.00 C ATOM 527 CE2 TYR A 39 -6.156 1.874 9.725 1.00 0.00 C ATOM 528 CZ TYR A 39 -6.620 2.973 10.412 1.00 0.00 C ATOM 529 OH TYR A 39 -7.887 2.955 10.950 1.00 0.00 O ATOM 0 H TYR A 39 -3.455 2.254 6.313 1.00 0.00 H new ATOM 0 HA TYR A 39 -2.823 4.839 7.603 1.00 0.00 H new ATOM 0 HB2 TYR A 39 -2.348 1.984 8.558 1.00 0.00 H new ATOM 0 HB3 TYR A 39 -1.977 3.439 9.461 1.00 0.00 H new ATOM 0 HD1 TYR A 39 -3.926 4.969 10.144 1.00 0.00 H new ATOM 0 HD2 TYR A 39 -4.523 1.025 8.650 1.00 0.00 H new ATOM 0 HE1 TYR A 39 -6.188 4.948 11.105 1.00 0.00 H new ATOM 0 HE2 TYR A 39 -6.784 1.003 9.607 1.00 0.00 H new ATOM 0 HH TYR A 39 -8.315 2.096 10.750 1.00 0.00 H new ATOM 538 N TYR A 40 -0.959 3.546 5.605 1.00 0.00 N ATOM 539 CA TYR A 40 0.380 3.480 5.017 1.00 0.00 C ATOM 540 C TYR A 40 0.539 4.415 3.824 1.00 0.00 C ATOM 541 O TYR A 40 1.650 4.831 3.508 1.00 0.00 O ATOM 542 CB TYR A 40 0.727 2.049 4.598 1.00 0.00 C ATOM 543 CG TYR A 40 0.821 1.073 5.752 1.00 0.00 C ATOM 544 CD1 TYR A 40 1.696 1.289 6.811 1.00 0.00 C ATOM 545 CD2 TYR A 40 0.033 -0.067 5.779 1.00 0.00 C ATOM 546 CE1 TYR A 40 1.781 0.394 7.862 1.00 0.00 C ATOM 547 CE2 TYR A 40 0.115 -0.967 6.824 1.00 0.00 C ATOM 548 CZ TYR A 40 0.988 -0.735 7.861 1.00 0.00 C ATOM 549 OH TYR A 40 1.071 -1.638 8.898 1.00 0.00 O ATOM 0 H TYR A 40 -1.723 3.423 4.940 1.00 0.00 H new ATOM 0 HA TYR A 40 1.072 3.807 5.793 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -0.028 1.694 3.896 1.00 0.00 H new ATOM 0 HB3 TYR A 40 1.678 2.058 4.065 1.00 0.00 H new ATOM 0 HD1 TYR A 40 2.320 2.171 6.813 1.00 0.00 H new ATOM 0 HD2 TYR A 40 -0.657 -0.255 4.969 1.00 0.00 H new ATOM 0 HE1 TYR A 40 2.464 0.578 8.678 1.00 0.00 H new ATOM 0 HE2 TYR A 40 -0.505 -1.851 6.827 1.00 0.00 H new ATOM 0 HH TYR A 40 0.444 -2.375 8.741 1.00 0.00 H new ATOM 558 N ILE A 41 -0.561 4.759 3.174 1.00 0.00 N ATOM 559 CA ILE A 41 -0.513 5.635 2.011 1.00 0.00 C ATOM 560 C ILE A 41 -1.150 6.979 2.334 1.00 0.00 C ATOM 561 O ILE A 41 -2.134 7.045 3.077 1.00 0.00 O ATOM 562 CB ILE A 41 -1.225 5.003 0.794 1.00 0.00 C ATOM 563 CG1 ILE A 41 -0.359 3.928 0.130 1.00 0.00 C ATOM 564 CG2 ILE A 41 -1.603 6.060 -0.229 1.00 0.00 C ATOM 565 CD1 ILE A 41 -0.322 2.624 0.883 1.00 0.00 C ATOM 0 H ILE A 41 -1.498 4.446 3.430 1.00 0.00 H new ATOM 0 HA ILE A 41 0.536 5.781 1.755 1.00 0.00 H new ATOM 0 HB ILE A 41 -2.134 4.531 1.168 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -0.733 3.744 -0.877 1.00 0.00 H new ATOM 0 HG13 ILE A 41 0.658 4.306 0.028 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -2.102 5.586 -1.074 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -2.275 6.786 0.229 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -0.703 6.568 -0.577 1.00 0.00 H new ATOM 0 HD11 ILE A 41 0.311 1.914 0.350 1.00 0.00 H new ATOM 0 HD12 ILE A 41 0.081 2.792 1.882 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -1.332 2.221 0.963 1.00 0.00 H new ATOM 576 N GLY A 42 -0.582 8.050 1.790 1.00 0.00 N ATOM 577 CA GLY A 42 -1.110 9.370 2.052 1.00 0.00 C ATOM 578 C GLY A 42 -1.724 10.028 0.836 1.00 0.00 C ATOM 579 O GLY A 42 -1.584 9.547 -0.290 1.00 0.00 O ATOM 0 H GLY A 42 0.231 8.025 1.175 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -1.863 9.302 2.837 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -0.309 10.004 2.432 1.00 0.00 H new ATOM 583 N ASN A 43 -2.389 11.148 1.074 1.00 0.00 N ATOM 584 CA ASN A 43 -3.055 11.895 0.017 1.00 0.00 C ATOM 585 C ASN A 43 -2.399 13.255 -0.200 1.00 0.00 C ATOM 586 O ASN A 43 -2.462 14.132 0.663 1.00 0.00 O ATOM 587 CB ASN A 43 -4.534 12.086 0.365 1.00 0.00 C ATOM 588 CG ASN A 43 -5.252 13.032 -0.585 1.00 0.00 C ATOM 589 OD1 ASN A 43 -4.909 13.138 -1.762 1.00 0.00 O ATOM 590 ND2 ASN A 43 -6.250 13.733 -0.073 1.00 0.00 N ATOM 0 H ASN A 43 -2.482 11.564 2.001 1.00 0.00 H new ATOM 0 HA ASN A 43 -2.966 11.322 -0.906 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -5.033 11.117 0.350 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -4.615 12.470 1.382 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -6.765 14.390 -0.659 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -6.504 13.617 0.908 1.00 0.00 H new ATOM 596 N ASP A 44 -1.752 13.413 -1.342 1.00 0.00 N ATOM 597 CA ASP A 44 -1.116 14.675 -1.690 1.00 0.00 C ATOM 598 C ASP A 44 -1.870 15.332 -2.835 1.00 0.00 C ATOM 599 O ASP A 44 -1.754 14.908 -3.982 1.00 0.00 O ATOM 600 CB ASP A 44 0.350 14.451 -2.079 1.00 0.00 C ATOM 601 CG ASP A 44 1.003 15.695 -2.650 1.00 0.00 C ATOM 602 OD1 ASP A 44 1.395 16.583 -1.864 1.00 0.00 O ATOM 603 OD2 ASP A 44 1.136 15.786 -3.886 1.00 0.00 O ATOM 0 H ASP A 44 -1.652 12.682 -2.046 1.00 0.00 H new ATOM 0 HA ASP A 44 -1.142 15.333 -0.821 1.00 0.00 H new ATOM 0 HB2 ASP A 44 0.908 14.123 -1.202 1.00 0.00 H new ATOM 0 HB3 ASP A 44 0.408 13.647 -2.812 1.00 0.00 H new ATOM 607 N ASN A 45 -2.646 16.362 -2.511 1.00 0.00 N ATOM 608 CA ASN A 45 -3.429 17.103 -3.499 1.00 0.00 C ATOM 609 C ASN A 45 -4.216 16.175 -4.423 1.00 0.00 C ATOM 610 O ASN A 45 -4.203 16.342 -5.643 1.00 0.00 O ATOM 611 CB ASN A 45 -2.520 18.019 -4.321 1.00 0.00 C ATOM 612 CG ASN A 45 -2.179 19.307 -3.600 1.00 0.00 C ATOM 613 OD1 ASN A 45 -1.207 19.379 -2.850 1.00 0.00 O ATOM 614 ND2 ASN A 45 -2.974 20.339 -3.827 1.00 0.00 N ATOM 0 H ASN A 45 -2.751 16.708 -1.557 1.00 0.00 H new ATOM 0 HA ASN A 45 -4.151 17.709 -2.951 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -1.599 17.488 -4.562 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -3.009 18.255 -5.266 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -2.790 21.234 -3.373 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -3.771 20.240 -4.456 1.00 0.00 H new ATOM 620 N GLY A 46 -4.896 15.195 -3.845 1.00 0.00 N ATOM 621 CA GLY A 46 -5.684 14.278 -4.644 1.00 0.00 C ATOM 622 C GLY A 46 -4.858 13.204 -5.333 1.00 0.00 C ATOM 623 O GLY A 46 -5.354 12.508 -6.219 1.00 0.00 O ATOM 0 H GLY A 46 -4.916 15.019 -2.841 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -6.427 13.799 -4.006 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -6.230 14.844 -5.399 1.00 0.00 H new ATOM 627 N ARG A 47 -3.602 13.070 -4.934 1.00 0.00 N ATOM 628 CA ARG A 47 -2.713 12.075 -5.518 1.00 0.00 C ATOM 629 C ARG A 47 -2.230 11.098 -4.457 1.00 0.00 C ATOM 630 O ARG A 47 -2.006 11.476 -3.305 1.00 0.00 O ATOM 631 CB ARG A 47 -1.515 12.753 -6.184 1.00 0.00 C ATOM 632 CG ARG A 47 -1.523 12.669 -7.704 1.00 0.00 C ATOM 633 CD ARG A 47 -2.798 13.248 -8.298 1.00 0.00 C ATOM 634 NE ARG A 47 -3.018 14.630 -7.872 1.00 0.00 N ATOM 635 CZ ARG A 47 -3.053 15.678 -8.691 1.00 0.00 C ATOM 636 NH1 ARG A 47 -2.782 15.536 -9.985 1.00 0.00 N ATOM 637 NH2 ARG A 47 -3.339 16.873 -8.203 1.00 0.00 N ATOM 0 H ARG A 47 -3.173 13.640 -4.205 1.00 0.00 H new ATOM 0 HA ARG A 47 -3.272 11.523 -6.274 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -1.493 13.802 -5.888 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -0.598 12.297 -5.810 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -0.661 13.205 -8.102 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -1.420 11.628 -8.011 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -2.743 13.208 -9.386 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -3.649 12.636 -7.999 1.00 0.00 H new ATOM 0 HE ARG A 47 -3.154 14.803 -6.876 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -2.544 14.617 -10.358 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -2.812 16.346 -10.604 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -3.530 16.985 -7.207 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -3.368 17.683 -8.822 1.00 0.00 H new ATOM 648 N LEU A 48 -2.084 9.843 -4.854 1.00 0.00 N ATOM 649 CA LEU A 48 -1.625 8.795 -3.952 1.00 0.00 C ATOM 650 C LEU A 48 -0.120 8.893 -3.742 1.00 0.00 C ATOM 651 O LEU A 48 0.662 8.715 -4.676 1.00 0.00 O ATOM 652 CB LEU A 48 -2.004 7.417 -4.516 1.00 0.00 C ATOM 653 CG LEU A 48 -3.405 6.905 -4.146 1.00 0.00 C ATOM 654 CD1 LEU A 48 -4.478 7.937 -4.464 1.00 0.00 C ATOM 655 CD2 LEU A 48 -3.692 5.605 -4.878 1.00 0.00 C ATOM 0 H LEU A 48 -2.278 9.523 -5.803 1.00 0.00 H new ATOM 0 HA LEU A 48 -2.111 8.924 -2.985 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -1.928 7.457 -5.603 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -1.269 6.690 -4.171 1.00 0.00 H new ATOM 0 HG LEU A 48 -3.426 6.726 -3.071 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -5.456 7.541 -4.190 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -4.284 8.849 -3.900 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -4.463 8.160 -5.531 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -4.687 5.249 -4.610 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -3.645 5.775 -5.954 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -2.951 4.857 -4.596 1.00 0.00 H new ATOM 666 N GLU A 49 0.268 9.201 -2.515 1.00 0.00 N ATOM 667 CA GLU A 49 1.670 9.329 -2.153 1.00 0.00 C ATOM 668 C GLU A 49 2.102 8.086 -1.387 1.00 0.00 C ATOM 669 O GLU A 49 1.351 7.607 -0.533 1.00 0.00 O ATOM 670 CB GLU A 49 1.873 10.589 -1.303 1.00 0.00 C ATOM 671 CG GLU A 49 3.322 10.876 -0.945 1.00 0.00 C ATOM 672 CD GLU A 49 4.141 11.313 -2.143 1.00 0.00 C ATOM 673 OE1 GLU A 49 4.696 10.438 -2.836 1.00 0.00 O ATOM 674 OE2 GLU A 49 4.222 12.536 -2.399 1.00 0.00 O ATOM 0 H GLU A 49 -0.378 9.369 -1.744 1.00 0.00 H new ATOM 0 HA GLU A 49 2.280 9.421 -3.052 1.00 0.00 H new ATOM 0 HB2 GLU A 49 1.468 11.446 -1.842 1.00 0.00 H new ATOM 0 HB3 GLU A 49 1.297 10.489 -0.383 1.00 0.00 H new ATOM 0 HG2 GLU A 49 3.357 11.654 -0.182 1.00 0.00 H new ATOM 0 HG3 GLU A 49 3.769 9.982 -0.510 1.00 0.00 H new ATOM 679 N TYR A 50 3.294 7.566 -1.709 1.00 0.00 N ATOM 680 CA TYR A 50 3.833 6.361 -1.076 1.00 0.00 C ATOM 681 C TYR A 50 3.572 6.281 0.334 1.00 0.00 C ATOM 682 O TYR A 50 2.696 5.503 0.717 1.00 0.00 O ATOM 683 CB TYR A 50 5.315 6.085 -1.366 1.00 0.00 C ATOM 684 CG TYR A 50 6.057 7.106 -2.228 1.00 0.00 C ATOM 685 CD1 TYR A 50 5.688 7.345 -3.547 1.00 0.00 C ATOM 686 CD2 TYR A 50 7.147 7.813 -1.723 1.00 0.00 C ATOM 687 CE1 TYR A 50 6.372 8.258 -4.328 1.00 0.00 C ATOM 688 CE2 TYR A 50 7.834 8.723 -2.501 1.00 0.00 C ATOM 689 CZ TYR A 50 7.443 8.941 -3.799 1.00 0.00 C ATOM 690 OH TYR A 50 8.137 9.840 -4.578 1.00 0.00 O ATOM 0 H TYR A 50 3.909 7.970 -2.415 1.00 0.00 H new ATOM 0 HA TYR A 50 3.270 5.565 -1.564 1.00 0.00 H new ATOM 0 HB2 TYR A 50 5.837 6.004 -0.413 1.00 0.00 H new ATOM 0 HB3 TYR A 50 5.389 5.113 -1.854 1.00 0.00 H new ATOM 0 HD1 TYR A 50 4.852 6.808 -3.969 1.00 0.00 H new ATOM 0 HD2 TYR A 50 7.460 7.646 -0.703 1.00 0.00 H new ATOM 0 HE1 TYR A 50 6.067 8.434 -5.349 1.00 0.00 H new ATOM 0 HE2 TYR A 50 8.676 9.261 -2.090 1.00 0.00 H new ATOM 0 HH TYR A 50 8.863 10.236 -4.052 1.00 0.00 H new ATOM 699 N PRO A 51 4.226 6.976 1.185 1.00 0.00 N ATOM 700 CA PRO A 51 3.885 6.730 2.461 1.00 0.00 C ATOM 701 C PRO A 51 3.146 7.868 3.105 1.00 0.00 C ATOM 702 O PRO A 51 3.606 9.013 3.157 1.00 0.00 O ATOM 703 CB PRO A 51 5.213 6.469 3.032 1.00 0.00 C ATOM 704 CG PRO A 51 6.115 7.468 2.344 1.00 0.00 C ATOM 705 CD PRO A 51 5.374 7.872 1.091 1.00 0.00 C ATOM 0 HA PRO A 51 3.174 5.916 2.602 1.00 0.00 H new ATOM 0 HB2 PRO A 51 5.216 6.608 4.113 1.00 0.00 H new ATOM 0 HB3 PRO A 51 5.534 5.445 2.841 1.00 0.00 H new ATOM 0 HG2 PRO A 51 6.308 8.330 2.983 1.00 0.00 H new ATOM 0 HG3 PRO A 51 7.082 7.026 2.105 1.00 0.00 H new ATOM 0 HD2 PRO A 51 5.086 8.923 1.096 1.00 0.00 H new ATOM 0 HD3 PRO A 51 5.960 7.707 0.187 1.00 0.00 H new ATOM 710 N GLY A 52 2.018 7.529 3.615 1.00 0.00 N ATOM 711 CA GLY A 52 1.174 8.511 4.212 1.00 0.00 C ATOM 712 C GLY A 52 0.224 7.949 5.238 1.00 0.00 C ATOM 713 O GLY A 52 0.457 6.871 5.785 1.00 0.00 O ATOM 0 H GLY A 52 1.653 6.577 3.633 1.00 0.00 H new ATOM 0 HA2 GLY A 52 1.795 9.273 4.683 1.00 0.00 H new ATOM 0 HA3 GLY A 52 0.599 9.007 3.430 1.00 0.00 H new ATOM 717 N GLU A 53 -0.859 8.676 5.479 1.00 0.00 N ATOM 718 CA GLU A 53 -1.867 8.267 6.449 1.00 0.00 C ATOM 719 C GLU A 53 -3.243 8.810 6.072 1.00 0.00 C ATOM 720 O GLU A 53 -3.363 9.929 5.566 1.00 0.00 O ATOM 721 CB GLU A 53 -1.516 8.772 7.857 1.00 0.00 C ATOM 722 CG GLU A 53 -0.328 8.081 8.509 1.00 0.00 C ATOM 723 CD GLU A 53 -0.034 8.633 9.890 1.00 0.00 C ATOM 724 OE1 GLU A 53 -0.749 8.265 10.847 1.00 0.00 O ATOM 725 OE2 GLU A 53 0.896 9.454 10.027 1.00 0.00 O ATOM 0 H GLU A 53 -1.063 9.559 5.012 1.00 0.00 H new ATOM 0 HA GLU A 53 -1.888 7.177 6.445 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -1.311 9.841 7.803 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -2.388 8.647 8.499 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -0.526 7.012 8.581 1.00 0.00 H new ATOM 0 HG3 GLU A 53 0.552 8.200 7.877 1.00 0.00 H new ATOM 730 N SER A 54 -4.263 7.997 6.327 1.00 0.00 N ATOM 731 CA SER A 54 -5.660 8.344 6.086 1.00 0.00 C ATOM 732 C SER A 54 -5.929 8.902 4.684 1.00 0.00 C ATOM 733 O SER A 54 -6.658 9.884 4.534 1.00 0.00 O ATOM 734 CB SER A 54 -6.114 9.340 7.151 1.00 0.00 C ATOM 735 OG SER A 54 -5.798 8.862 8.451 1.00 0.00 O ATOM 0 H SER A 54 -4.140 7.061 6.714 1.00 0.00 H new ATOM 0 HA SER A 54 -6.235 7.420 6.148 1.00 0.00 H new ATOM 0 HB2 SER A 54 -5.632 10.303 6.985 1.00 0.00 H new ATOM 0 HB3 SER A 54 -7.189 9.503 7.069 1.00 0.00 H new ATOM 0 HG SER A 54 -6.095 9.514 9.120 1.00 0.00 H new ATOM 740 N PHE A 55 -5.369 8.270 3.658 1.00 0.00 N ATOM 741 CA PHE A 55 -5.597 8.724 2.286 1.00 0.00 C ATOM 742 C PHE A 55 -7.053 8.455 1.899 1.00 0.00 C ATOM 743 O PHE A 55 -7.661 9.209 1.144 1.00 0.00 O ATOM 744 CB PHE A 55 -4.651 8.017 1.301 1.00 0.00 C ATOM 745 CG PHE A 55 -5.049 6.601 0.981 1.00 0.00 C ATOM 746 CD1 PHE A 55 -4.894 5.592 1.915 1.00 0.00 C ATOM 747 CD2 PHE A 55 -5.596 6.288 -0.252 1.00 0.00 C ATOM 748 CE1 PHE A 55 -5.281 4.297 1.624 1.00 0.00 C ATOM 749 CE2 PHE A 55 -5.980 4.995 -0.549 1.00 0.00 C ATOM 750 CZ PHE A 55 -5.824 3.999 0.390 1.00 0.00 C ATOM 0 H PHE A 55 -4.763 7.454 3.744 1.00 0.00 H new ATOM 0 HA PHE A 55 -5.393 9.794 2.236 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -4.612 8.591 0.375 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -3.644 8.015 1.718 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -4.467 5.818 2.881 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -5.724 7.065 -0.991 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -5.159 3.518 2.362 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -6.402 4.765 -1.516 1.00 0.00 H new ATOM 0 HZ PHE A 55 -6.126 2.988 0.161 1.00 0.00 H new ATOM 759 N GLY A 56 -7.612 7.391 2.474 1.00 0.00 N ATOM 760 CA GLY A 56 -8.981 6.999 2.190 1.00 0.00 C ATOM 761 C GLY A 56 -9.997 8.047 2.592 1.00 0.00 C ATOM 762 O GLY A 56 -11.131 8.023 2.119 1.00 0.00 O ATOM 0 H GLY A 56 -7.131 6.787 3.141 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -9.080 6.796 1.124 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -9.202 6.069 2.713 1.00 0.00 H new ATOM 766 N SER A 57 -9.582 8.967 3.455 1.00 0.00 N ATOM 767 CA SER A 57 -10.449 10.036 3.930 1.00 0.00 C ATOM 768 C SER A 57 -11.059 10.805 2.758 1.00 0.00 C ATOM 769 O SER A 57 -12.175 11.314 2.856 1.00 0.00 O ATOM 770 CB SER A 57 -9.650 10.984 4.830 1.00 0.00 C ATOM 771 OG SER A 57 -10.481 11.963 5.437 1.00 0.00 O ATOM 0 H SER A 57 -8.639 8.992 3.843 1.00 0.00 H new ATOM 0 HA SER A 57 -11.264 9.596 4.504 1.00 0.00 H new ATOM 0 HB2 SER A 57 -9.142 10.408 5.604 1.00 0.00 H new ATOM 0 HB3 SER A 57 -8.877 11.478 4.241 1.00 0.00 H new ATOM 0 HG SER A 57 -9.937 12.548 6.004 1.00 0.00 H new ATOM 776 N SER A 58 -10.331 10.880 1.647 1.00 0.00 N ATOM 777 CA SER A 58 -10.821 11.584 0.470 1.00 0.00 C ATOM 778 C SER A 58 -10.572 10.782 -0.809 1.00 0.00 C ATOM 779 O SER A 58 -10.624 11.334 -1.907 1.00 0.00 O ATOM 780 CB SER A 58 -10.145 12.954 0.362 1.00 0.00 C ATOM 781 OG SER A 58 -10.327 13.712 1.548 1.00 0.00 O ATOM 0 H SER A 58 -9.406 10.464 1.539 1.00 0.00 H new ATOM 0 HA SER A 58 -11.897 11.713 0.582 1.00 0.00 H new ATOM 0 HB2 SER A 58 -9.080 12.823 0.171 1.00 0.00 H new ATOM 0 HB3 SER A 58 -10.556 13.499 -0.488 1.00 0.00 H new ATOM 0 HG SER A 58 -9.884 14.581 1.452 1.00 0.00 H new ATOM 786 N CYS A 59 -10.314 9.484 -0.672 1.00 0.00 N ATOM 787 CA CYS A 59 -10.045 8.635 -1.835 1.00 0.00 C ATOM 788 C CYS A 59 -11.195 7.686 -2.133 1.00 0.00 C ATOM 789 O CYS A 59 -11.897 7.221 -1.230 1.00 0.00 O ATOM 790 CB CYS A 59 -8.780 7.794 -1.642 1.00 0.00 C ATOM 791 SG CYS A 59 -7.202 8.612 -2.067 1.00 0.00 S ATOM 0 H CYS A 59 -10.285 8.998 0.224 1.00 0.00 H new ATOM 0 HA CYS A 59 -9.913 9.321 -2.672 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -8.733 7.478 -0.600 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -8.872 6.891 -2.245 1.00 0.00 H new ATOM 795 N VAL A 60 -11.362 7.405 -3.417 1.00 0.00 N ATOM 796 CA VAL A 60 -12.381 6.492 -3.914 1.00 0.00 C ATOM 797 C VAL A 60 -11.801 5.682 -5.070 1.00 0.00 C ATOM 798 O VAL A 60 -10.681 5.958 -5.508 1.00 0.00 O ATOM 799 CB VAL A 60 -13.649 7.232 -4.394 1.00 0.00 C ATOM 800 CG1 VAL A 60 -14.354 7.909 -3.228 1.00 0.00 C ATOM 801 CG2 VAL A 60 -13.308 8.248 -5.477 1.00 0.00 C ATOM 0 H VAL A 60 -10.785 7.811 -4.154 1.00 0.00 H new ATOM 0 HA VAL A 60 -12.674 5.840 -3.091 1.00 0.00 H new ATOM 0 HB VAL A 60 -14.327 6.494 -4.821 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -15.244 8.424 -3.590 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -14.643 7.159 -2.492 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -13.681 8.630 -2.765 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -14.217 8.756 -5.799 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -12.604 8.980 -5.081 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -12.858 7.736 -6.328 1.00 0.00 H new ATOM 811 N LYS A 61 -12.553 4.696 -5.560 1.00 0.00 N ATOM 812 CA LYS A 61 -12.106 3.840 -6.667 1.00 0.00 C ATOM 813 C LYS A 61 -10.825 3.094 -6.312 1.00 0.00 C ATOM 814 O LYS A 61 -9.966 2.883 -7.166 1.00 0.00 O ATOM 815 CB LYS A 61 -11.878 4.645 -7.956 1.00 0.00 C ATOM 816 CG LYS A 61 -13.122 4.838 -8.808 1.00 0.00 C ATOM 817 CD LYS A 61 -14.134 5.750 -8.146 1.00 0.00 C ATOM 818 CE LYS A 61 -15.351 5.947 -9.030 1.00 0.00 C ATOM 819 NZ LYS A 61 -16.300 6.927 -8.452 1.00 0.00 N ATOM 0 H LYS A 61 -13.482 4.467 -5.207 1.00 0.00 H new ATOM 0 HA LYS A 61 -12.905 3.119 -6.839 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -11.479 5.624 -7.692 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -11.118 4.142 -8.554 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -12.837 5.255 -9.774 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -13.581 3.869 -9.002 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -14.440 5.326 -7.190 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -13.674 6.715 -7.934 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -15.033 6.287 -10.015 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -15.856 4.991 -9.171 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -17.118 7.034 -9.086 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -16.624 6.590 -7.523 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -15.826 7.846 -8.341 1.00 0.00 H new ATOM 829 N THR A 62 -10.704 2.696 -5.054 1.00 0.00 N ATOM 830 CA THR A 62 -9.523 1.977 -4.597 1.00 0.00 C ATOM 831 C THR A 62 -9.445 0.581 -5.212 1.00 0.00 C ATOM 832 O THR A 62 -10.343 -0.244 -5.030 1.00 0.00 O ATOM 833 CB THR A 62 -9.502 1.869 -3.064 1.00 0.00 C ATOM 834 OG1 THR A 62 -10.792 1.453 -2.585 1.00 0.00 O ATOM 835 CG2 THR A 62 -9.117 3.201 -2.432 1.00 0.00 C ATOM 0 H THR A 62 -11.407 2.858 -4.333 1.00 0.00 H new ATOM 0 HA THR A 62 -8.654 2.548 -4.924 1.00 0.00 H new ATOM 0 HB THR A 62 -8.756 1.127 -2.781 1.00 0.00 H new ATOM 0 HG1 THR A 62 -11.136 0.734 -3.155 1.00 0.00 H new ATOM 0 HG21 THR A 62 -9.109 3.100 -1.347 1.00 0.00 H new ATOM 0 HG22 THR A 62 -8.125 3.494 -2.777 1.00 0.00 H new ATOM 0 HG23 THR A 62 -9.841 3.963 -2.720 1.00 0.00 H new ATOM 843 N ALA A 63 -8.366 0.336 -5.941 1.00 0.00 N ATOM 844 CA ALA A 63 -8.141 -0.941 -6.602 1.00 0.00 C ATOM 845 C ALA A 63 -6.648 -1.167 -6.788 1.00 0.00 C ATOM 846 O ALA A 63 -5.882 -0.209 -6.883 1.00 0.00 O ATOM 847 CB ALA A 63 -8.858 -0.984 -7.945 1.00 0.00 C ATOM 0 H ALA A 63 -7.622 1.017 -6.091 1.00 0.00 H new ATOM 0 HA ALA A 63 -8.546 -1.737 -5.977 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -8.677 -1.947 -8.423 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -9.929 -0.851 -7.790 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -8.482 -0.185 -8.584 1.00 0.00 H new ATOM 853 N LEU A 64 -6.234 -2.422 -6.835 1.00 0.00 N ATOM 854 CA LEU A 64 -4.829 -2.751 -7.007 1.00 0.00 C ATOM 855 C LEU A 64 -4.577 -3.314 -8.401 1.00 0.00 C ATOM 856 O LEU A 64 -5.035 -4.410 -8.725 1.00 0.00 O ATOM 857 CB LEU A 64 -4.401 -3.770 -5.946 1.00 0.00 C ATOM 858 CG LEU A 64 -3.383 -3.272 -4.917 1.00 0.00 C ATOM 859 CD1 LEU A 64 -2.015 -3.111 -5.548 1.00 0.00 C ATOM 860 CD2 LEU A 64 -3.838 -1.960 -4.307 1.00 0.00 C ATOM 0 H LEU A 64 -6.851 -3.230 -6.756 1.00 0.00 H new ATOM 0 HA LEU A 64 -4.241 -1.841 -6.890 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -5.291 -4.109 -5.415 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -3.982 -4.639 -6.452 1.00 0.00 H new ATOM 0 HG LEU A 64 -3.311 -4.017 -4.125 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -1.308 -2.756 -4.798 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -1.679 -4.072 -5.938 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -2.073 -2.389 -6.363 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -3.101 -1.623 -3.578 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -3.942 -1.211 -5.092 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -4.799 -2.103 -3.812 1.00 0.00 H new ATOM 871 N ASN A 65 -3.842 -2.572 -9.222 1.00 0.00 N ATOM 872 CA ASN A 65 -3.533 -3.025 -10.572 1.00 0.00 C ATOM 873 C ASN A 65 -2.457 -4.088 -10.528 1.00 0.00 C ATOM 874 O ASN A 65 -1.348 -3.838 -10.047 1.00 0.00 O ATOM 875 CB ASN A 65 -3.086 -1.868 -11.468 1.00 0.00 C ATOM 876 CG ASN A 65 -4.259 -1.077 -12.021 1.00 0.00 C ATOM 877 OD1 ASN A 65 -5.362 -1.603 -12.171 1.00 0.00 O ATOM 878 ND2 ASN A 65 -4.025 0.180 -12.354 1.00 0.00 N ATOM 0 H ASN A 65 -3.452 -1.661 -8.979 1.00 0.00 H new ATOM 0 HA ASN A 65 -4.444 -3.445 -10.998 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -2.438 -1.201 -10.899 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -2.494 -2.260 -12.295 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -4.772 0.750 -12.751 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -3.097 0.580 -12.214 1.00 0.00 H new ATOM 884 N ASP A 66 -2.820 -5.285 -10.983 1.00 0.00 N ATOM 885 CA ASP A 66 -1.918 -6.440 -11.023 1.00 0.00 C ATOM 886 C ASP A 66 -1.390 -6.774 -9.625 1.00 0.00 C ATOM 887 O ASP A 66 -0.393 -7.478 -9.464 1.00 0.00 O ATOM 888 CB ASP A 66 -0.763 -6.196 -11.999 1.00 0.00 C ATOM 889 CG ASP A 66 -0.031 -7.474 -12.365 1.00 0.00 C ATOM 890 OD1 ASP A 66 -0.673 -8.391 -12.917 1.00 0.00 O ATOM 891 OD2 ASP A 66 1.186 -7.567 -12.108 1.00 0.00 O ATOM 0 H ASP A 66 -3.755 -5.485 -11.338 1.00 0.00 H new ATOM 0 HA ASP A 66 -2.487 -7.298 -11.380 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -1.150 -5.730 -12.905 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -0.059 -5.492 -11.555 1.00 0.00 H new ATOM 895 N GLY A 67 -2.082 -6.259 -8.617 1.00 0.00 N ATOM 896 CA GLY A 67 -1.708 -6.501 -7.240 1.00 0.00 C ATOM 897 C GLY A 67 -0.367 -5.910 -6.850 1.00 0.00 C ATOM 898 O GLY A 67 0.330 -6.476 -6.017 1.00 0.00 O ATOM 0 H GLY A 67 -2.907 -5.670 -8.733 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -2.478 -6.089 -6.588 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -1.684 -7.577 -7.065 1.00 0.00 H new ATOM 902 N HIS A 68 0.007 -4.775 -7.439 1.00 0.00 N ATOM 903 CA HIS A 68 1.282 -4.140 -7.092 1.00 0.00 C ATOM 904 C HIS A 68 1.152 -2.615 -7.061 1.00 0.00 C ATOM 905 O HIS A 68 1.883 -1.935 -6.343 1.00 0.00 O ATOM 906 CB HIS A 68 2.408 -4.574 -8.049 1.00 0.00 C ATOM 907 CG HIS A 68 2.373 -3.947 -9.416 1.00 0.00 C ATOM 908 ND1 HIS A 68 3.268 -2.979 -9.822 1.00 0.00 N ATOM 909 CD2 HIS A 68 1.564 -4.170 -10.478 1.00 0.00 C ATOM 910 CE1 HIS A 68 3.010 -2.635 -11.069 1.00 0.00 C ATOM 911 NE2 HIS A 68 1.979 -3.344 -11.492 1.00 0.00 N ATOM 0 H HIS A 68 -0.540 -4.283 -8.145 1.00 0.00 H new ATOM 0 HA HIS A 68 1.549 -4.476 -6.090 1.00 0.00 H new ATOM 0 HB2 HIS A 68 3.366 -4.339 -7.585 1.00 0.00 H new ATOM 0 HB3 HIS A 68 2.366 -5.657 -8.164 1.00 0.00 H new ATOM 0 HD1 HIS A 68 4.014 -2.589 -9.246 1.00 0.00 H new ATOM 0 HD2 HIS A 68 0.742 -4.870 -10.520 1.00 0.00 H new ATOM 0 HE1 HIS A 68 3.550 -1.899 -11.646 1.00 0.00 H new ATOM 919 N THR A 69 0.218 -2.089 -7.833 1.00 0.00 N ATOM 920 CA THR A 69 -0.008 -0.659 -7.896 1.00 0.00 C ATOM 921 C THR A 69 -1.394 -0.296 -7.376 1.00 0.00 C ATOM 922 O THR A 69 -2.393 -0.838 -7.837 1.00 0.00 O ATOM 923 CB THR A 69 0.110 -0.170 -9.346 1.00 0.00 C ATOM 924 OG1 THR A 69 1.463 -0.277 -9.807 1.00 0.00 O ATOM 925 CG2 THR A 69 -0.394 1.255 -9.495 1.00 0.00 C ATOM 0 H THR A 69 -0.401 -2.638 -8.430 1.00 0.00 H new ATOM 0 HA THR A 69 0.746 -0.180 -7.272 1.00 0.00 H new ATOM 0 HB THR A 69 -0.519 -0.811 -9.963 1.00 0.00 H new ATOM 0 HG1 THR A 69 1.867 0.615 -9.846 1.00 0.00 H new ATOM 0 HG21 THR A 69 -0.296 1.569 -10.534 1.00 0.00 H new ATOM 0 HG22 THR A 69 -1.442 1.303 -9.199 1.00 0.00 H new ATOM 0 HG23 THR A 69 0.193 1.917 -8.859 1.00 0.00 H new ATOM 933 N LEU A 70 -1.453 0.612 -6.422 1.00 0.00 N ATOM 934 CA LEU A 70 -2.734 1.049 -5.887 1.00 0.00 C ATOM 935 C LEU A 70 -3.246 2.234 -6.684 1.00 0.00 C ATOM 936 O LEU A 70 -2.547 3.221 -6.871 1.00 0.00 O ATOM 937 CB LEU A 70 -2.629 1.414 -4.402 1.00 0.00 C ATOM 938 CG LEU A 70 -3.783 2.258 -3.841 1.00 0.00 C ATOM 939 CD1 LEU A 70 -5.110 1.521 -3.946 1.00 0.00 C ATOM 940 CD2 LEU A 70 -3.499 2.643 -2.398 1.00 0.00 C ATOM 0 H LEU A 70 -0.639 1.060 -6.002 1.00 0.00 H new ATOM 0 HA LEU A 70 -3.438 0.221 -5.974 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -2.563 0.492 -3.824 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -1.697 1.956 -4.245 1.00 0.00 H new ATOM 0 HG LEU A 70 -3.860 3.166 -4.440 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -5.906 2.145 -3.540 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -5.321 1.298 -4.992 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -5.055 0.591 -3.381 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -4.324 3.241 -2.012 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -3.391 1.741 -1.795 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -2.577 3.223 -2.351 1.00 0.00 H new ATOM 951 N THR A 71 -4.459 2.115 -7.166 1.00 0.00 N ATOM 952 CA THR A 71 -5.078 3.167 -7.937 1.00 0.00 C ATOM 953 C THR A 71 -6.311 3.678 -7.231 1.00 0.00 C ATOM 954 O THR A 71 -7.142 2.891 -6.778 1.00 0.00 O ATOM 955 CB THR A 71 -5.459 2.684 -9.345 1.00 0.00 C ATOM 956 OG1 THR A 71 -5.667 1.264 -9.341 1.00 0.00 O ATOM 957 CG2 THR A 71 -4.382 3.055 -10.345 1.00 0.00 C ATOM 0 H THR A 71 -5.044 1.289 -7.036 1.00 0.00 H new ATOM 0 HA THR A 71 -4.351 3.973 -8.035 1.00 0.00 H new ATOM 0 HB THR A 71 -6.386 3.175 -9.641 1.00 0.00 H new ATOM 0 HG1 THR A 71 -6.216 1.016 -8.568 1.00 0.00 H new ATOM 0 HG21 THR A 71 -4.670 2.705 -11.336 1.00 0.00 H new ATOM 0 HG22 THR A 71 -4.261 4.138 -10.364 1.00 0.00 H new ATOM 0 HG23 THR A 71 -3.440 2.589 -10.055 1.00 0.00 H new ATOM 965 N ALA A 72 -6.398 4.987 -7.101 1.00 0.00 N ATOM 966 CA ALA A 72 -7.540 5.608 -6.459 1.00 0.00 C ATOM 967 C ALA A 72 -7.631 7.077 -6.832 1.00 0.00 C ATOM 968 O ALA A 72 -6.689 7.652 -7.386 1.00 0.00 O ATOM 969 CB ALA A 72 -7.461 5.442 -4.948 1.00 0.00 C ATOM 0 H ALA A 72 -5.690 5.642 -7.432 1.00 0.00 H new ATOM 0 HA ALA A 72 -8.443 5.110 -6.811 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -8.327 5.915 -4.484 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -7.450 4.381 -4.699 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -6.550 5.911 -4.578 1.00 0.00 H new ATOM 975 N SER A 73 -8.767 7.673 -6.539 1.00 0.00 N ATOM 976 CA SER A 73 -8.993 9.072 -6.832 1.00 0.00 C ATOM 977 C SER A 73 -9.239 9.821 -5.532 1.00 0.00 C ATOM 978 O SER A 73 -10.197 9.528 -4.814 1.00 0.00 O ATOM 979 CB SER A 73 -10.186 9.228 -7.781 1.00 0.00 C ATOM 980 OG SER A 73 -10.302 10.562 -8.240 1.00 0.00 O ATOM 0 H SER A 73 -9.556 7.204 -6.093 1.00 0.00 H new ATOM 0 HA SER A 73 -8.114 9.489 -7.323 1.00 0.00 H new ATOM 0 HB2 SER A 73 -10.068 8.557 -8.632 1.00 0.00 H new ATOM 0 HB3 SER A 73 -11.103 8.936 -7.269 1.00 0.00 H new ATOM 0 HG SER A 73 -11.246 10.825 -8.247 1.00 0.00 H new ATOM 985 N CYS A 74 -8.367 10.763 -5.218 1.00 0.00 N ATOM 986 CA CYS A 74 -8.501 11.530 -3.993 1.00 0.00 C ATOM 987 C CYS A 74 -8.786 12.987 -4.271 1.00 0.00 C ATOM 988 O CYS A 74 -8.460 13.516 -5.335 1.00 0.00 O ATOM 989 CB CYS A 74 -7.239 11.435 -3.145 1.00 0.00 C ATOM 990 SG CYS A 74 -7.463 10.554 -1.570 1.00 0.00 S ATOM 0 H CYS A 74 -7.562 11.014 -5.792 1.00 0.00 H new ATOM 0 HA CYS A 74 -9.343 11.100 -3.451 1.00 0.00 H new ATOM 0 HB2 CYS A 74 -6.464 10.932 -3.723 1.00 0.00 H new ATOM 0 HB3 CYS A 74 -6.878 12.442 -2.937 1.00 0.00 H new ATOM 994 N LYS A 75 -9.425 13.613 -3.309 1.00 0.00 N ATOM 995 CA LYS A 75 -9.739 15.024 -3.377 1.00 0.00 C ATOM 996 C LYS A 75 -8.723 15.794 -2.545 1.00 0.00 C ATOM 997 O LYS A 75 -8.193 15.265 -1.569 1.00 0.00 O ATOM 998 CB LYS A 75 -11.169 15.286 -2.881 1.00 0.00 C ATOM 999 CG LYS A 75 -11.518 16.761 -2.769 1.00 0.00 C ATOM 1000 CD LYS A 75 -11.639 17.188 -1.317 1.00 0.00 C ATOM 1001 CE LYS A 75 -11.487 18.685 -1.157 1.00 0.00 C ATOM 1002 NZ LYS A 75 -11.767 19.117 0.236 1.00 0.00 N ATOM 0 H LYS A 75 -9.743 13.157 -2.454 1.00 0.00 H new ATOM 0 HA LYS A 75 -9.686 15.361 -4.412 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -11.873 14.806 -3.561 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -11.297 14.817 -1.906 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -10.751 17.357 -3.263 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -12.457 16.956 -3.287 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -12.608 16.877 -0.926 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -10.878 16.680 -0.724 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -10.475 18.980 -1.434 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -12.166 19.195 -1.840 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -11.653 20.148 0.309 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -12.741 18.857 0.491 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -11.103 18.649 0.885 1.00 0.00 H new ATOM 1012 N GLY A 76 -8.431 17.022 -2.940 1.00 0.00 N ATOM 1013 CA GLY A 76 -7.480 17.815 -2.189 1.00 0.00 C ATOM 1014 C GLY A 76 -6.646 18.718 -3.068 1.00 0.00 C ATOM 1015 O GLY A 76 -5.996 19.637 -2.578 1.00 0.00 O ATOM 0 H GLY A 76 -8.830 17.481 -3.759 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -8.016 18.421 -1.459 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -6.821 17.150 -1.630 1.00 0.00 H new ATOM 1019 N ALA A 77 -6.653 18.448 -4.367 1.00 0.00 N ATOM 1020 CA ALA A 77 -5.896 19.254 -5.316 1.00 0.00 C ATOM 1021 C ALA A 77 -6.339 20.710 -5.261 1.00 0.00 C ATOM 1022 O ALA A 77 -5.511 21.620 -5.291 1.00 0.00 O ATOM 1023 CB ALA A 77 -6.056 18.703 -6.723 1.00 0.00 C ATOM 0 H ALA A 77 -7.174 17.678 -4.787 1.00 0.00 H new ATOM 0 HA ALA A 77 -4.842 19.208 -5.041 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -5.485 19.315 -7.421 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -5.689 17.677 -6.756 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -7.109 18.721 -7.003 1.00 0.00 H new ATOM 1029 N ASP A 78 -7.650 20.907 -5.146 1.00 0.00 N ATOM 1030 CA ASP A 78 -8.243 22.245 -5.087 1.00 0.00 C ATOM 1031 C ASP A 78 -9.761 22.131 -5.000 1.00 0.00 C ATOM 1032 O ASP A 78 -10.489 22.645 -5.849 1.00 0.00 O ATOM 1033 CB ASP A 78 -7.856 23.065 -6.322 1.00 0.00 C ATOM 1034 CG ASP A 78 -8.160 24.538 -6.153 1.00 0.00 C ATOM 1035 OD1 ASP A 78 -7.518 25.180 -5.294 1.00 0.00 O ATOM 1036 OD2 ASP A 78 -9.024 25.064 -6.887 1.00 0.00 O ATOM 0 H ASP A 78 -8.330 20.149 -5.091 1.00 0.00 H new ATOM 0 HA ASP A 78 -7.863 22.754 -4.201 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -6.792 22.937 -6.522 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -8.392 22.683 -7.191 1.00 0.00 H new ATOM 1040 N GLY A 79 -10.235 21.439 -3.970 1.00 0.00 N ATOM 1041 CA GLY A 79 -11.662 21.241 -3.799 1.00 0.00 C ATOM 1042 C GLY A 79 -12.220 20.325 -4.863 1.00 0.00 C ATOM 1043 O GLY A 79 -13.419 20.312 -5.129 1.00 0.00 O ATOM 0 H GLY A 79 -9.655 21.011 -3.249 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -11.857 20.818 -2.813 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -12.172 22.203 -3.840 1.00 0.00 H new ATOM 1047 N GLN A 80 -11.327 19.566 -5.473 1.00 0.00 N ATOM 1048 CA GLN A 80 -11.683 18.624 -6.516 1.00 0.00 C ATOM 1049 C GLN A 80 -10.807 17.393 -6.389 1.00 0.00 C ATOM 1050 O GLN A 80 -9.753 17.437 -5.740 1.00 0.00 O ATOM 1051 CB GLN A 80 -11.511 19.255 -7.900 1.00 0.00 C ATOM 1052 CG GLN A 80 -10.096 19.732 -8.189 1.00 0.00 C ATOM 1053 CD GLN A 80 -9.918 20.177 -9.626 1.00 0.00 C ATOM 1054 OE1 GLN A 80 -10.572 19.664 -10.530 1.00 0.00 O ATOM 1055 NE2 GLN A 80 -9.032 21.137 -9.845 1.00 0.00 N ATOM 0 H GLN A 80 -10.330 19.587 -5.257 1.00 0.00 H new ATOM 0 HA GLN A 80 -12.730 18.344 -6.403 1.00 0.00 H new ATOM 0 HB2 GLN A 80 -11.801 18.528 -8.658 1.00 0.00 H new ATOM 0 HB3 GLN A 80 -12.194 20.099 -7.991 1.00 0.00 H new ATOM 0 HG2 GLN A 80 -9.851 20.559 -7.523 1.00 0.00 H new ATOM 0 HG3 GLN A 80 -9.393 18.928 -7.971 1.00 0.00 H new ATOM 0 HE21 GLN A 80 -8.510 21.536 -9.065 1.00 0.00 H new ATOM 0 HE22 GLN A 80 -8.872 21.477 -10.793 1.00 0.00 H new ATOM 1062 N TYR A 81 -11.241 16.304 -6.996 1.00 0.00 N ATOM 1063 CA TYR A 81 -10.497 15.063 -6.938 1.00 0.00 C ATOM 1064 C TYR A 81 -9.721 14.822 -8.226 1.00 0.00 C ATOM 1065 O TYR A 81 -9.963 15.470 -9.244 1.00 0.00 O ATOM 1066 CB TYR A 81 -11.438 13.891 -6.647 1.00 0.00 C ATOM 1067 CG TYR A 81 -12.501 13.675 -7.700 1.00 0.00 C ATOM 1068 CD1 TYR A 81 -12.241 12.898 -8.819 1.00 0.00 C ATOM 1069 CD2 TYR A 81 -13.762 14.243 -7.573 1.00 0.00 C ATOM 1070 CE1 TYR A 81 -13.203 12.688 -9.780 1.00 0.00 C ATOM 1071 CE2 TYR A 81 -14.733 14.039 -8.533 1.00 0.00 C ATOM 1072 CZ TYR A 81 -14.447 13.262 -9.635 1.00 0.00 C ATOM 1073 OH TYR A 81 -15.412 13.052 -10.593 1.00 0.00 O ATOM 0 H TYR A 81 -12.106 16.255 -7.535 1.00 0.00 H new ATOM 0 HA TYR A 81 -9.774 15.141 -6.126 1.00 0.00 H new ATOM 0 HB2 TYR A 81 -10.847 12.980 -6.551 1.00 0.00 H new ATOM 0 HB3 TYR A 81 -11.923 14.059 -5.686 1.00 0.00 H new ATOM 0 HD1 TYR A 81 -11.266 12.450 -8.938 1.00 0.00 H new ATOM 0 HD2 TYR A 81 -13.986 14.853 -6.711 1.00 0.00 H new ATOM 0 HE1 TYR A 81 -12.984 12.077 -10.643 1.00 0.00 H new ATOM 0 HE2 TYR A 81 -15.710 14.485 -8.421 1.00 0.00 H new ATOM 0 HH TYR A 81 -16.232 13.525 -10.340 1.00 0.00 H new ATOM 1082 N HIS A 82 -8.790 13.888 -8.164 1.00 0.00 N ATOM 1083 CA HIS A 82 -7.962 13.538 -9.306 1.00 0.00 C ATOM 1084 C HIS A 82 -7.651 12.055 -9.267 1.00 0.00 C ATOM 1085 O HIS A 82 -7.646 11.447 -8.199 1.00 0.00 O ATOM 1086 CB HIS A 82 -6.655 14.337 -9.296 1.00 0.00 C ATOM 1087 CG HIS A 82 -6.592 15.409 -10.341 1.00 0.00 C ATOM 1088 ND1 HIS A 82 -5.833 15.301 -11.484 1.00 0.00 N ATOM 1089 CD2 HIS A 82 -7.184 16.624 -10.401 1.00 0.00 C ATOM 1090 CE1 HIS A 82 -5.957 16.402 -12.200 1.00 0.00 C ATOM 1091 NE2 HIS A 82 -6.776 17.220 -11.566 1.00 0.00 N ATOM 0 H HIS A 82 -8.586 13.350 -7.322 1.00 0.00 H new ATOM 0 HA HIS A 82 -8.507 13.779 -10.219 1.00 0.00 H new ATOM 0 HB2 HIS A 82 -6.526 14.792 -8.314 1.00 0.00 H new ATOM 0 HB3 HIS A 82 -5.820 13.651 -9.442 1.00 0.00 H new ATOM 0 HD2 HIS A 82 -7.854 17.046 -9.667 1.00 0.00 H new ATOM 0 HE1 HIS A 82 -5.471 16.600 -13.144 1.00 0.00 H new ATOM 0 HE2 HIS A 82 -7.059 18.145 -11.890 1.00 0.00 H new ATOM 1099 N ASP A 83 -7.415 11.475 -10.426 1.00 0.00 N ATOM 1100 CA ASP A 83 -7.093 10.059 -10.516 1.00 0.00 C ATOM 1101 C ASP A 83 -5.585 9.869 -10.465 1.00 0.00 C ATOM 1102 O ASP A 83 -4.848 10.556 -11.172 1.00 0.00 O ATOM 1103 CB ASP A 83 -7.665 9.465 -11.804 1.00 0.00 C ATOM 1104 CG ASP A 83 -7.202 8.045 -12.052 1.00 0.00 C ATOM 1105 OD1 ASP A 83 -7.803 7.113 -11.481 1.00 0.00 O ATOM 1106 OD2 ASP A 83 -6.249 7.857 -12.835 1.00 0.00 O ATOM 0 H ASP A 83 -7.439 11.961 -11.323 1.00 0.00 H new ATOM 0 HA ASP A 83 -7.542 9.538 -9.670 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -8.754 9.484 -11.755 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -7.373 10.090 -12.648 1.00 0.00 H new ATOM 1110 N SER A 84 -5.128 8.960 -9.617 1.00 0.00 N ATOM 1111 CA SER A 84 -3.705 8.707 -9.486 1.00 0.00 C ATOM 1112 C SER A 84 -3.434 7.258 -9.102 1.00 0.00 C ATOM 1113 O SER A 84 -4.359 6.495 -8.811 1.00 0.00 O ATOM 1114 CB SER A 84 -3.107 9.655 -8.447 1.00 0.00 C ATOM 1115 OG SER A 84 -3.838 9.612 -7.233 1.00 0.00 O ATOM 0 H SER A 84 -5.720 8.389 -9.013 1.00 0.00 H new ATOM 0 HA SER A 84 -3.233 8.887 -10.452 1.00 0.00 H new ATOM 0 HB2 SER A 84 -2.068 9.384 -8.259 1.00 0.00 H new ATOM 0 HB3 SER A 84 -3.105 10.673 -8.838 1.00 0.00 H new ATOM 0 HG SER A 84 -4.582 10.249 -7.276 1.00 0.00 H new ATOM 1120 N SER A 85 -2.165 6.885 -9.104 1.00 0.00 N ATOM 1121 CA SER A 85 -1.768 5.533 -8.761 1.00 0.00 C ATOM 1122 C SER A 85 -0.534 5.563 -7.874 1.00 0.00 C ATOM 1123 O SER A 85 0.162 6.575 -7.805 1.00 0.00 O ATOM 1124 CB SER A 85 -1.468 4.716 -10.012 1.00 0.00 C ATOM 1125 OG SER A 85 -2.001 5.328 -11.182 1.00 0.00 O ATOM 0 H SER A 85 -1.390 7.504 -9.341 1.00 0.00 H new ATOM 0 HA SER A 85 -2.595 5.065 -8.228 1.00 0.00 H new ATOM 0 HB2 SER A 85 -0.390 4.600 -10.121 1.00 0.00 H new ATOM 0 HB3 SER A 85 -1.886 3.715 -9.902 1.00 0.00 H new ATOM 0 HG SER A 85 -1.788 4.778 -11.965 1.00 0.00 H new ATOM 1130 N MET A 86 -0.265 4.454 -7.214 1.00 0.00 N ATOM 1131 CA MET A 86 0.871 4.350 -6.325 1.00 0.00 C ATOM 1132 C MET A 86 1.447 2.941 -6.338 1.00 0.00 C ATOM 1133 O MET A 86 0.794 1.994 -5.906 1.00 0.00 O ATOM 1134 CB MET A 86 0.434 4.709 -4.910 1.00 0.00 C ATOM 1135 CG MET A 86 1.551 4.673 -3.878 1.00 0.00 C ATOM 1136 SD MET A 86 2.797 5.950 -4.152 1.00 0.00 S ATOM 1137 CE MET A 86 3.858 5.203 -5.383 1.00 0.00 C ATOM 0 H MET A 86 -0.826 3.604 -7.279 1.00 0.00 H new ATOM 0 HA MET A 86 1.644 5.039 -6.665 1.00 0.00 H new ATOM 0 HB2 MET A 86 -0.002 5.708 -4.920 1.00 0.00 H new ATOM 0 HB3 MET A 86 -0.352 4.021 -4.600 1.00 0.00 H new ATOM 0 HG2 MET A 86 1.124 4.796 -2.883 1.00 0.00 H new ATOM 0 HG3 MET A 86 2.029 3.694 -3.901 1.00 0.00 H new ATOM 0 HE1 MET A 86 4.878 5.563 -5.251 1.00 0.00 H new ATOM 0 HE2 MET A 86 3.838 4.119 -5.271 1.00 0.00 H new ATOM 0 HE3 MET A 86 3.505 5.471 -6.379 1.00 0.00 H new ATOM 1145 N ASP A 87 2.656 2.796 -6.851 1.00 0.00 N ATOM 1146 CA ASP A 87 3.311 1.501 -6.871 1.00 0.00 C ATOM 1147 C ASP A 87 3.741 1.139 -5.459 1.00 0.00 C ATOM 1148 O ASP A 87 4.699 1.691 -4.918 1.00 0.00 O ATOM 1149 CB ASP A 87 4.505 1.499 -7.823 1.00 0.00 C ATOM 1150 CG ASP A 87 4.101 1.215 -9.255 1.00 0.00 C ATOM 1151 OD1 ASP A 87 3.159 1.867 -9.753 1.00 0.00 O ATOM 1152 OD2 ASP A 87 4.704 0.322 -9.880 1.00 0.00 O ATOM 0 H ASP A 87 3.202 3.556 -7.258 1.00 0.00 H new ATOM 0 HA ASP A 87 2.608 0.753 -7.237 1.00 0.00 H new ATOM 0 HB2 ASP A 87 5.006 2.466 -7.775 1.00 0.00 H new ATOM 0 HB3 ASP A 87 5.226 0.749 -7.496 1.00 0.00 H new ATOM 1156 N LEU A 88 3.020 0.201 -4.877 1.00 0.00 N ATOM 1157 CA LEU A 88 3.266 -0.247 -3.514 1.00 0.00 C ATOM 1158 C LEU A 88 4.506 -1.119 -3.450 1.00 0.00 C ATOM 1159 O LEU A 88 4.937 -1.517 -2.370 1.00 0.00 O ATOM 1160 CB LEU A 88 2.057 -1.015 -2.990 1.00 0.00 C ATOM 1161 CG LEU A 88 0.691 -0.403 -3.323 1.00 0.00 C ATOM 1162 CD1 LEU A 88 -0.426 -1.256 -2.742 1.00 0.00 C ATOM 1163 CD2 LEU A 88 0.599 1.020 -2.790 1.00 0.00 C ATOM 0 H LEU A 88 2.243 -0.276 -5.335 1.00 0.00 H new ATOM 0 HA LEU A 88 3.430 0.630 -2.888 1.00 0.00 H new ATOM 0 HB2 LEU A 88 2.090 -2.028 -3.392 1.00 0.00 H new ATOM 0 HB3 LEU A 88 2.144 -1.099 -1.907 1.00 0.00 H new ATOM 0 HG LEU A 88 0.581 -0.374 -4.407 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -1.390 -0.809 -2.986 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -0.374 -2.260 -3.164 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -0.316 -1.311 -1.659 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -0.377 1.438 -3.036 1.00 0.00 H new ATOM 0 HD22 LEU A 88 0.728 1.012 -1.708 1.00 0.00 H new ATOM 0 HD23 LEU A 88 1.380 1.630 -3.244 1.00 0.00 H new ATOM 1174 N ASN A 89 5.041 -1.447 -4.619 1.00 0.00 N ATOM 1175 CA ASN A 89 6.251 -2.269 -4.729 1.00 0.00 C ATOM 1176 C ASN A 89 7.351 -1.795 -3.776 1.00 0.00 C ATOM 1177 O ASN A 89 8.146 -2.599 -3.287 1.00 0.00 O ATOM 1178 CB ASN A 89 6.779 -2.257 -6.167 1.00 0.00 C ATOM 1179 CG ASN A 89 5.914 -3.057 -7.119 1.00 0.00 C ATOM 1180 OD1 ASN A 89 4.951 -2.539 -7.686 1.00 0.00 O ATOM 1181 ND2 ASN A 89 6.258 -4.324 -7.312 1.00 0.00 N ATOM 0 H ASN A 89 4.655 -1.155 -5.517 1.00 0.00 H new ATOM 0 HA ASN A 89 5.975 -3.286 -4.450 1.00 0.00 H new ATOM 0 HB2 ASN A 89 6.840 -1.227 -6.518 1.00 0.00 H new ATOM 0 HB3 ASN A 89 7.792 -2.659 -6.180 1.00 0.00 H new ATOM 0 HD21 ASN A 89 5.717 -4.908 -7.950 1.00 0.00 H new ATOM 0 HD22 ASN A 89 7.063 -4.714 -6.822 1.00 0.00 H new ATOM 1187 N TYR A 90 7.387 -0.498 -3.493 1.00 0.00 N ATOM 1188 CA TYR A 90 8.394 0.043 -2.593 1.00 0.00 C ATOM 1189 C TYR A 90 7.763 0.683 -1.365 1.00 0.00 C ATOM 1190 O TYR A 90 8.394 1.488 -0.682 1.00 0.00 O ATOM 1191 CB TYR A 90 9.314 1.030 -3.321 1.00 0.00 C ATOM 1192 CG TYR A 90 8.607 1.997 -4.247 1.00 0.00 C ATOM 1193 CD1 TYR A 90 8.151 3.228 -3.790 1.00 0.00 C ATOM 1194 CD2 TYR A 90 8.414 1.683 -5.587 1.00 0.00 C ATOM 1195 CE1 TYR A 90 7.520 4.115 -4.642 1.00 0.00 C ATOM 1196 CE2 TYR A 90 7.788 2.566 -6.444 1.00 0.00 C ATOM 1197 CZ TYR A 90 7.343 3.780 -5.968 1.00 0.00 C ATOM 1198 OH TYR A 90 6.723 4.664 -6.823 1.00 0.00 O ATOM 0 H TYR A 90 6.737 0.191 -3.870 1.00 0.00 H new ATOM 0 HA TYR A 90 9.005 -0.791 -2.248 1.00 0.00 H new ATOM 0 HB2 TYR A 90 9.870 1.602 -2.578 1.00 0.00 H new ATOM 0 HB3 TYR A 90 10.044 0.464 -3.899 1.00 0.00 H new ATOM 0 HD1 TYR A 90 8.292 3.496 -2.753 1.00 0.00 H new ATOM 0 HD2 TYR A 90 8.760 0.732 -5.964 1.00 0.00 H new ATOM 0 HE1 TYR A 90 7.167 5.066 -4.271 1.00 0.00 H new ATOM 0 HE2 TYR A 90 7.648 2.306 -7.483 1.00 0.00 H new ATOM 0 HH TYR A 90 6.679 4.274 -7.721 1.00 0.00 H new ATOM 1207 N VAL A 91 6.511 0.330 -1.085 1.00 0.00 N ATOM 1208 CA VAL A 91 5.830 0.863 0.086 1.00 0.00 C ATOM 1209 C VAL A 91 5.303 -0.286 0.961 1.00 0.00 C ATOM 1210 O VAL A 91 4.863 -0.079 2.092 1.00 0.00 O ATOM 1211 CB VAL A 91 4.707 1.876 -0.278 1.00 0.00 C ATOM 1212 CG1 VAL A 91 5.095 2.711 -1.472 1.00 0.00 C ATOM 1213 CG2 VAL A 91 3.363 1.239 -0.518 1.00 0.00 C ATOM 0 H VAL A 91 5.955 -0.315 -1.647 1.00 0.00 H new ATOM 0 HA VAL A 91 6.562 1.430 0.661 1.00 0.00 H new ATOM 0 HB VAL A 91 4.600 2.513 0.600 1.00 0.00 H new ATOM 0 HG11 VAL A 91 4.291 3.410 -1.704 1.00 0.00 H new ATOM 0 HG12 VAL A 91 6.006 3.266 -1.247 1.00 0.00 H new ATOM 0 HG13 VAL A 91 5.269 2.061 -2.330 1.00 0.00 H new ATOM 0 HG21 VAL A 91 2.634 2.010 -0.766 1.00 0.00 H new ATOM 0 HG22 VAL A 91 3.438 0.531 -1.344 1.00 0.00 H new ATOM 0 HG23 VAL A 91 3.043 0.714 0.382 1.00 0.00 H new ATOM 1223 N VAL A 92 5.363 -1.509 0.421 1.00 0.00 N ATOM 1224 CA VAL A 92 4.938 -2.710 1.146 1.00 0.00 C ATOM 1225 C VAL A 92 5.883 -3.863 0.821 1.00 0.00 C ATOM 1226 O VAL A 92 6.302 -4.022 -0.328 1.00 0.00 O ATOM 1227 CB VAL A 92 3.507 -3.182 0.785 1.00 0.00 C ATOM 1228 CG1 VAL A 92 2.968 -4.127 1.852 1.00 0.00 C ATOM 1229 CG2 VAL A 92 2.554 -2.027 0.577 1.00 0.00 C ATOM 0 H VAL A 92 5.705 -1.692 -0.522 1.00 0.00 H new ATOM 0 HA VAL A 92 4.954 -2.440 2.202 1.00 0.00 H new ATOM 0 HB VAL A 92 3.579 -3.716 -0.162 1.00 0.00 H new ATOM 0 HG11 VAL A 92 1.962 -4.447 1.580 1.00 0.00 H new ATOM 0 HG12 VAL A 92 3.618 -4.999 1.928 1.00 0.00 H new ATOM 0 HG13 VAL A 92 2.938 -3.612 2.812 1.00 0.00 H new ATOM 0 HG21 VAL A 92 1.565 -2.412 0.326 1.00 0.00 H new ATOM 0 HG22 VAL A 92 2.493 -1.437 1.491 1.00 0.00 H new ATOM 0 HG23 VAL A 92 2.916 -1.399 -0.237 1.00 0.00 H new ATOM 1239 N GLY A 93 6.225 -4.655 1.826 1.00 0.00 N ATOM 1240 CA GLY A 93 7.098 -5.792 1.609 1.00 0.00 C ATOM 1241 C GLY A 93 6.541 -7.072 2.198 1.00 0.00 C ATOM 1242 O GLY A 93 5.492 -7.060 2.844 1.00 0.00 O ATOM 0 H GLY A 93 5.914 -4.531 2.789 1.00 0.00 H new ATOM 0 HA2 GLY A 93 7.255 -5.926 0.539 1.00 0.00 H new ATOM 0 HA3 GLY A 93 8.073 -5.587 2.051 1.00 0.00 H new ATOM 1246 N ASN A 94 7.248 -8.175 1.977 1.00 0.00 N ATOM 1247 CA ASN A 94 6.834 -9.481 2.484 1.00 0.00 C ATOM 1248 C ASN A 94 7.986 -10.157 3.218 1.00 0.00 C ATOM 1249 O ASN A 94 9.117 -10.180 2.726 1.00 0.00 O ATOM 1250 CB ASN A 94 6.368 -10.381 1.333 1.00 0.00 C ATOM 1251 CG ASN A 94 6.089 -11.811 1.777 1.00 0.00 C ATOM 1252 OD1 ASN A 94 5.606 -12.057 2.883 1.00 0.00 O ATOM 1253 ND2 ASN A 94 6.419 -12.769 0.924 1.00 0.00 N ATOM 0 H ASN A 94 8.118 -8.191 1.445 1.00 0.00 H new ATOM 0 HA ASN A 94 6.007 -9.328 3.177 1.00 0.00 H new ATOM 0 HB2 ASN A 94 5.465 -9.960 0.891 1.00 0.00 H new ATOM 0 HB3 ASN A 94 7.130 -10.390 0.553 1.00 0.00 H new ATOM 0 HD21 ASN A 94 6.275 -13.747 1.175 1.00 0.00 H new ATOM 0 HD22 ASN A 94 6.817 -12.529 0.016 1.00 0.00 H new ATOM 1259 N SER A 95 7.697 -10.695 4.391 1.00 0.00 N ATOM 1260 CA SER A 95 8.702 -11.377 5.184 1.00 0.00 C ATOM 1261 C SER A 95 8.085 -12.588 5.872 1.00 0.00 C ATOM 1262 O SER A 95 7.240 -12.447 6.760 1.00 0.00 O ATOM 1263 CB SER A 95 9.289 -10.426 6.224 1.00 0.00 C ATOM 1264 OG SER A 95 10.536 -10.894 6.711 1.00 0.00 O ATOM 0 H SER A 95 6.770 -10.672 4.815 1.00 0.00 H new ATOM 0 HA SER A 95 9.503 -11.712 4.525 1.00 0.00 H new ATOM 0 HB2 SER A 95 9.417 -9.437 5.783 1.00 0.00 H new ATOM 0 HB3 SER A 95 8.591 -10.317 7.054 1.00 0.00 H new ATOM 0 HG SER A 95 10.886 -10.263 7.374 1.00 0.00 H new ATOM 1269 N TYR A 96 8.500 -13.776 5.440 1.00 0.00 N ATOM 1270 CA TYR A 96 8.008 -15.033 6.000 1.00 0.00 C ATOM 1271 C TYR A 96 6.487 -15.139 5.882 1.00 0.00 C ATOM 1272 O TYR A 96 5.806 -15.561 6.819 1.00 0.00 O ATOM 1273 CB TYR A 96 8.433 -15.180 7.464 1.00 0.00 C ATOM 1274 CG TYR A 96 9.929 -15.268 7.664 1.00 0.00 C ATOM 1275 CD1 TYR A 96 10.644 -16.366 7.208 1.00 0.00 C ATOM 1276 CD2 TYR A 96 10.623 -14.259 8.318 1.00 0.00 C ATOM 1277 CE1 TYR A 96 12.008 -16.458 7.399 1.00 0.00 C ATOM 1278 CE2 TYR A 96 11.988 -14.344 8.511 1.00 0.00 C ATOM 1279 CZ TYR A 96 12.677 -15.445 8.050 1.00 0.00 C ATOM 1280 OH TYR A 96 14.037 -15.539 8.246 1.00 0.00 O ATOM 0 H TYR A 96 9.185 -13.895 4.694 1.00 0.00 H new ATOM 0 HA TYR A 96 8.452 -15.844 5.422 1.00 0.00 H new ATOM 0 HB2 TYR A 96 8.050 -14.330 8.030 1.00 0.00 H new ATOM 0 HB3 TYR A 96 7.968 -16.074 7.879 1.00 0.00 H new ATOM 0 HD1 TYR A 96 10.125 -17.162 6.695 1.00 0.00 H new ATOM 0 HD2 TYR A 96 10.087 -13.394 8.681 1.00 0.00 H new ATOM 0 HE1 TYR A 96 12.549 -17.321 7.039 1.00 0.00 H new ATOM 0 HE2 TYR A 96 12.514 -13.550 9.021 1.00 0.00 H new ATOM 0 HH TYR A 96 14.355 -14.742 8.719 1.00 0.00 H new ATOM 1289 N GLY A 97 5.968 -14.762 4.717 1.00 0.00 N ATOM 1290 CA GLY A 97 4.538 -14.826 4.468 1.00 0.00 C ATOM 1291 C GLY A 97 3.746 -13.781 5.228 1.00 0.00 C ATOM 1292 O GLY A 97 2.517 -13.799 5.214 1.00 0.00 O ATOM 0 H GLY A 97 6.518 -14.410 3.934 1.00 0.00 H new ATOM 0 HA2 GLY A 97 4.357 -14.702 3.400 1.00 0.00 H new ATOM 0 HA3 GLY A 97 4.173 -15.816 4.741 1.00 0.00 H new ATOM 1296 N TYR A 98 4.438 -12.864 5.882 1.00 0.00 N ATOM 1297 CA TYR A 98 3.780 -11.828 6.653 1.00 0.00 C ATOM 1298 C TYR A 98 4.038 -10.473 6.020 1.00 0.00 C ATOM 1299 O TYR A 98 5.111 -10.229 5.463 1.00 0.00 O ATOM 1300 CB TYR A 98 4.275 -11.842 8.100 1.00 0.00 C ATOM 1301 CG TYR A 98 3.161 -11.748 9.120 1.00 0.00 C ATOM 1302 CD1 TYR A 98 2.438 -10.574 9.287 1.00 0.00 C ATOM 1303 CD2 TYR A 98 2.831 -12.838 9.912 1.00 0.00 C ATOM 1304 CE1 TYR A 98 1.418 -10.489 10.218 1.00 0.00 C ATOM 1305 CE2 TYR A 98 1.814 -12.764 10.843 1.00 0.00 C ATOM 1306 CZ TYR A 98 1.111 -11.588 10.994 1.00 0.00 C ATOM 1307 OH TYR A 98 0.091 -11.515 11.920 1.00 0.00 O ATOM 0 H TYR A 98 5.457 -12.817 5.893 1.00 0.00 H new ATOM 0 HA TYR A 98 2.707 -12.019 6.656 1.00 0.00 H new ATOM 0 HB2 TYR A 98 4.840 -12.758 8.274 1.00 0.00 H new ATOM 0 HB3 TYR A 98 4.964 -11.010 8.248 1.00 0.00 H new ATOM 0 HD1 TYR A 98 2.676 -9.713 8.680 1.00 0.00 H new ATOM 0 HD2 TYR A 98 3.380 -13.761 9.798 1.00 0.00 H new ATOM 0 HE1 TYR A 98 0.866 -9.569 10.337 1.00 0.00 H new ATOM 0 HE2 TYR A 98 1.571 -13.623 11.450 1.00 0.00 H new ATOM 0 HH TYR A 98 0.005 -12.376 12.381 1.00 0.00 H new ATOM 1316 N MET A 99 3.045 -9.606 6.100 1.00 0.00 N ATOM 1317 CA MET A 99 3.149 -8.276 5.529 1.00 0.00 C ATOM 1318 C MET A 99 4.150 -7.423 6.297 1.00 0.00 C ATOM 1319 O MET A 99 4.126 -7.365 7.527 1.00 0.00 O ATOM 1320 CB MET A 99 1.767 -7.605 5.481 1.00 0.00 C ATOM 1321 CG MET A 99 1.117 -7.375 6.840 1.00 0.00 C ATOM 1322 SD MET A 99 1.522 -5.768 7.555 1.00 0.00 S ATOM 1323 CE MET A 99 0.620 -5.847 9.102 1.00 0.00 C ATOM 0 H MET A 99 2.154 -9.800 6.557 1.00 0.00 H new ATOM 0 HA MET A 99 3.518 -8.370 4.508 1.00 0.00 H new ATOM 0 HB2 MET A 99 1.863 -6.645 4.973 1.00 0.00 H new ATOM 0 HB3 MET A 99 1.101 -8.220 4.876 1.00 0.00 H new ATOM 0 HG2 MET A 99 0.035 -7.458 6.737 1.00 0.00 H new ATOM 0 HG3 MET A 99 1.434 -8.161 7.525 1.00 0.00 H new ATOM 0 HE1 MET A 99 0.772 -4.923 9.659 1.00 0.00 H new ATOM 0 HE2 MET A 99 -0.443 -5.977 8.897 1.00 0.00 H new ATOM 0 HE3 MET A 99 0.982 -6.689 9.692 1.00 0.00 H new ATOM 1331 N GLU A 100 5.041 -6.786 5.556 1.00 0.00 N ATOM 1332 CA GLU A 100 6.064 -5.920 6.128 1.00 0.00 C ATOM 1333 C GLU A 100 6.180 -4.646 5.300 1.00 0.00 C ATOM 1334 O GLU A 100 7.106 -4.493 4.506 1.00 0.00 O ATOM 1335 CB GLU A 100 7.410 -6.642 6.179 1.00 0.00 C ATOM 1336 CG GLU A 100 7.519 -7.647 7.313 1.00 0.00 C ATOM 1337 CD GLU A 100 7.778 -6.989 8.651 1.00 0.00 C ATOM 1338 OE1 GLU A 100 8.921 -6.535 8.882 1.00 0.00 O ATOM 1339 OE2 GLU A 100 6.851 -6.928 9.485 1.00 0.00 O ATOM 0 H GLU A 100 5.077 -6.853 4.539 1.00 0.00 H new ATOM 0 HA GLU A 100 5.776 -5.660 7.147 1.00 0.00 H new ATOM 0 HB2 GLU A 100 7.573 -7.156 5.232 1.00 0.00 H new ATOM 0 HB3 GLU A 100 8.205 -5.904 6.282 1.00 0.00 H new ATOM 0 HG2 GLU A 100 6.598 -8.227 7.370 1.00 0.00 H new ATOM 0 HG3 GLU A 100 8.324 -8.349 7.095 1.00 0.00 H new ATOM 1344 N PRO A 101 5.221 -3.726 5.457 1.00 0.00 N ATOM 1345 CA PRO A 101 5.216 -2.466 4.719 1.00 0.00 C ATOM 1346 C PRO A 101 6.387 -1.583 5.124 1.00 0.00 C ATOM 1347 O PRO A 101 6.523 -1.205 6.291 1.00 0.00 O ATOM 1348 CB PRO A 101 3.880 -1.827 5.096 1.00 0.00 C ATOM 1349 CG PRO A 101 3.495 -2.458 6.387 1.00 0.00 C ATOM 1350 CD PRO A 101 4.080 -3.840 6.378 1.00 0.00 C ATOM 0 HA PRO A 101 5.323 -2.609 3.644 1.00 0.00 H new ATOM 0 HB2 PRO A 101 3.976 -0.746 5.199 1.00 0.00 H new ATOM 0 HB3 PRO A 101 3.127 -2.008 4.329 1.00 0.00 H new ATOM 0 HG2 PRO A 101 3.876 -1.881 7.230 1.00 0.00 H new ATOM 0 HG3 PRO A 101 2.411 -2.497 6.492 1.00 0.00 H new ATOM 0 HD2 PRO A 101 4.398 -4.147 7.374 1.00 0.00 H new ATOM 0 HD3 PRO A 101 3.357 -4.579 6.032 1.00 0.00 H new ATOM 1355 N CYS A 102 7.235 -1.272 4.161 1.00 0.00 N ATOM 1356 CA CYS A 102 8.405 -0.457 4.410 1.00 0.00 C ATOM 1357 C CYS A 102 8.250 0.918 3.780 1.00 0.00 C ATOM 1358 O CYS A 102 7.651 1.057 2.717 1.00 0.00 O ATOM 1359 CB CYS A 102 9.642 -1.145 3.835 1.00 0.00 C ATOM 1360 SG CYS A 102 9.554 -1.419 2.033 1.00 0.00 S ATOM 0 H CYS A 102 7.132 -1.575 3.193 1.00 0.00 H new ATOM 0 HA CYS A 102 8.518 -0.335 5.487 1.00 0.00 H new ATOM 0 HB2 CYS A 102 10.521 -0.541 4.060 1.00 0.00 H new ATOM 0 HB3 CYS A 102 9.779 -2.105 4.334 1.00 0.00 H new ATOM 1364 N ARG A 103 8.774 1.938 4.437 1.00 0.00 N ATOM 1365 CA ARG A 103 8.701 3.274 3.888 1.00 0.00 C ATOM 1366 C ARG A 103 10.095 3.727 3.488 1.00 0.00 C ATOM 1367 O ARG A 103 11.050 3.603 4.254 1.00 0.00 O ATOM 1368 CB ARG A 103 8.038 4.262 4.864 1.00 0.00 C ATOM 1369 CG ARG A 103 8.988 5.008 5.795 1.00 0.00 C ATOM 1370 CD ARG A 103 9.632 4.105 6.828 1.00 0.00 C ATOM 1371 NE ARG A 103 8.683 3.634 7.837 1.00 0.00 N ATOM 1372 CZ ARG A 103 8.849 3.813 9.150 1.00 0.00 C ATOM 1373 NH1 ARG A 103 9.893 4.498 9.602 1.00 0.00 N ATOM 1374 NH2 ARG A 103 7.968 3.308 10.004 1.00 0.00 N ATOM 0 H ARG A 103 9.247 1.866 5.338 1.00 0.00 H new ATOM 0 HA ARG A 103 8.067 3.255 3.002 1.00 0.00 H new ATOM 0 HB2 ARG A 103 7.476 4.995 4.285 1.00 0.00 H new ATOM 0 HB3 ARG A 103 7.317 3.715 5.472 1.00 0.00 H new ATOM 0 HG2 ARG A 103 9.767 5.487 5.203 1.00 0.00 H new ATOM 0 HG3 ARG A 103 8.441 5.802 6.304 1.00 0.00 H new ATOM 0 HD2 ARG A 103 10.078 3.246 6.326 1.00 0.00 H new ATOM 0 HD3 ARG A 103 10.442 4.643 7.320 1.00 0.00 H new ATOM 0 HE ARG A 103 7.848 3.141 7.520 1.00 0.00 H new ATOM 0 HH11 ARG A 103 10.570 4.888 8.946 1.00 0.00 H new ATOM 0 HH12 ARG A 103 10.018 4.634 10.605 1.00 0.00 H new ATOM 0 HH21 ARG A 103 7.165 2.784 9.658 1.00 0.00 H new ATOM 0 HH22 ARG A 103 8.094 3.444 11.007 1.00 0.00 H new ATOM 1385 N ALA A 104 10.220 4.215 2.274 1.00 0.00 N ATOM 1386 CA ALA A 104 11.509 4.670 1.783 1.00 0.00 C ATOM 1387 C ALA A 104 11.497 6.164 1.532 1.00 0.00 C ATOM 1388 O ALA A 104 12.382 6.699 0.867 1.00 0.00 O ATOM 1389 CB ALA A 104 11.883 3.926 0.513 1.00 0.00 C ATOM 0 H ALA A 104 9.452 4.308 1.609 1.00 0.00 H new ATOM 0 HA ALA A 104 12.257 4.459 2.548 1.00 0.00 H new ATOM 0 HB1 ALA A 104 12.851 4.278 0.157 1.00 0.00 H new ATOM 0 HB2 ALA A 104 11.939 2.857 0.720 1.00 0.00 H new ATOM 0 HB3 ALA A 104 11.127 4.108 -0.251 1.00 0.00 H new ATOM 1395 N SER A 105 10.495 6.839 2.079 1.00 0.00 N ATOM 1396 CA SER A 105 10.368 8.283 1.888 1.00 0.00 C ATOM 1397 C SER A 105 9.541 8.946 2.989 1.00 0.00 C ATOM 1398 O SER A 105 9.186 10.116 2.885 1.00 0.00 O ATOM 1399 CB SER A 105 9.744 8.578 0.518 1.00 0.00 C ATOM 1400 OG SER A 105 10.533 8.051 -0.536 1.00 0.00 O ATOM 0 H SER A 105 9.764 6.418 2.653 1.00 0.00 H new ATOM 0 HA SER A 105 11.372 8.705 1.937 1.00 0.00 H new ATOM 0 HB2 SER A 105 8.742 8.150 0.473 1.00 0.00 H new ATOM 0 HB3 SER A 105 9.637 9.655 0.390 1.00 0.00 H new ATOM 0 HG SER A 105 11.432 7.849 -0.202 1.00 0.00 H new ATOM 1405 N ASN A 106 9.230 8.205 4.041 1.00 0.00 N ATOM 1406 CA ASN A 106 8.448 8.757 5.141 1.00 0.00 C ATOM 1407 C ASN A 106 9.318 8.886 6.377 1.00 0.00 C ATOM 1408 O ASN A 106 9.241 8.084 7.305 1.00 0.00 O ATOM 1409 CB ASN A 106 7.231 7.895 5.445 1.00 0.00 C ATOM 1410 CG ASN A 106 6.233 8.586 6.359 1.00 0.00 C ATOM 1411 OD1 ASN A 106 6.308 8.472 7.579 1.00 0.00 O ATOM 1412 ND2 ASN A 106 5.286 9.301 5.768 1.00 0.00 N ATOM 0 H ASN A 106 9.503 7.229 4.158 1.00 0.00 H new ATOM 0 HA ASN A 106 8.092 9.743 4.843 1.00 0.00 H new ATOM 0 HB2 ASN A 106 6.737 7.629 4.510 1.00 0.00 H new ATOM 0 HB3 ASN A 106 7.558 6.964 5.909 1.00 0.00 H new ATOM 0 HD21 ASN A 106 4.584 9.782 6.331 1.00 0.00 H new ATOM 0 HD22 ASN A 106 5.259 9.370 4.751 1.00 0.00 H new ATOM 1418 N ALA A 107 10.173 9.881 6.340 1.00 0.00 N ATOM 1419 CA ALA A 107 11.082 10.179 7.436 1.00 0.00 C ATOM 1420 C ALA A 107 11.506 11.630 7.342 1.00 0.00 C ATOM 1421 O ALA A 107 11.484 12.375 8.324 1.00 0.00 O ATOM 1422 CB ALA A 107 12.299 9.265 7.398 1.00 0.00 C ATOM 0 H ALA A 107 10.263 10.514 5.546 1.00 0.00 H new ATOM 0 HA ALA A 107 10.570 10.007 8.383 1.00 0.00 H new ATOM 0 HB1 ALA A 107 12.963 9.508 8.228 1.00 0.00 H new ATOM 0 HB2 ALA A 107 11.977 8.227 7.483 1.00 0.00 H new ATOM 0 HB3 ALA A 107 12.829 9.404 6.456 1.00 0.00 H new ATOM 1428 N ASP A 108 11.880 12.018 6.136 1.00 0.00 N ATOM 1429 CA ASP A 108 12.303 13.374 5.840 1.00 0.00 C ATOM 1430 C ASP A 108 11.090 14.230 5.492 1.00 0.00 C ATOM 1431 O ASP A 108 9.959 13.736 5.454 1.00 0.00 O ATOM 1432 CB ASP A 108 13.289 13.358 4.671 1.00 0.00 C ATOM 1433 CG ASP A 108 12.692 12.746 3.421 1.00 0.00 C ATOM 1434 OD1 ASP A 108 12.376 11.537 3.441 1.00 0.00 O ATOM 1435 OD2 ASP A 108 12.544 13.465 2.413 1.00 0.00 O ATOM 0 H ASP A 108 11.899 11.395 5.328 1.00 0.00 H new ATOM 0 HA ASP A 108 12.794 13.800 6.715 1.00 0.00 H new ATOM 0 HB2 ASP A 108 13.610 14.377 4.456 1.00 0.00 H new ATOM 0 HB3 ASP A 108 14.179 12.798 4.957 1.00 0.00 H new ATOM 1439 N HIS A 109 11.320 15.513 5.252 1.00 0.00 N ATOM 1440 CA HIS A 109 10.236 16.431 4.919 1.00 0.00 C ATOM 1441 C HIS A 109 10.381 16.984 3.511 1.00 0.00 C ATOM 1442 O HIS A 109 9.409 17.454 2.916 1.00 0.00 O ATOM 1443 CB HIS A 109 10.181 17.584 5.920 1.00 0.00 C ATOM 1444 CG HIS A 109 9.651 17.188 7.263 1.00 0.00 C ATOM 1445 ND1 HIS A 109 10.408 17.223 8.413 1.00 0.00 N ATOM 1446 CD2 HIS A 109 8.426 16.750 7.636 1.00 0.00 C ATOM 1447 CE1 HIS A 109 9.675 16.821 9.433 1.00 0.00 C ATOM 1448 NE2 HIS A 109 8.469 16.529 8.988 1.00 0.00 N ATOM 0 H HIS A 109 12.245 15.943 5.281 1.00 0.00 H new ATOM 0 HA HIS A 109 9.306 15.864 4.969 1.00 0.00 H new ATOM 0 HB2 HIS A 109 11.183 17.997 6.041 1.00 0.00 H new ATOM 0 HB3 HIS A 109 9.556 18.379 5.512 1.00 0.00 H new ATOM 0 HD2 HIS A 109 7.574 16.602 6.989 1.00 0.00 H new ATOM 0 HE1 HIS A 109 10.006 16.744 10.458 1.00 0.00 H new ATOM 0 HE2 HIS A 109 7.693 16.193 9.558 1.00 0.00 H new ATOM 1456 N VAL A 110 11.590 16.938 2.978 1.00 0.00 N ATOM 1457 CA VAL A 110 11.839 17.439 1.633 1.00 0.00 C ATOM 1458 C VAL A 110 11.546 16.353 0.598 1.00 0.00 C ATOM 1459 O VAL A 110 12.434 15.882 -0.117 1.00 0.00 O ATOM 1460 CB VAL A 110 13.289 17.953 1.469 1.00 0.00 C ATOM 1461 CG1 VAL A 110 13.458 18.692 0.146 1.00 0.00 C ATOM 1462 CG2 VAL A 110 13.678 18.849 2.636 1.00 0.00 C ATOM 0 H VAL A 110 12.412 16.562 3.451 1.00 0.00 H new ATOM 0 HA VAL A 110 11.168 18.282 1.469 1.00 0.00 H new ATOM 0 HB VAL A 110 13.954 17.089 1.463 1.00 0.00 H new ATOM 0 HG11 VAL A 110 14.486 19.044 0.054 1.00 0.00 H new ATOM 0 HG12 VAL A 110 13.230 18.017 -0.679 1.00 0.00 H new ATOM 0 HG13 VAL A 110 12.779 19.544 0.116 1.00 0.00 H new ATOM 0 HG21 VAL A 110 14.701 19.199 2.500 1.00 0.00 H new ATOM 0 HG22 VAL A 110 13.004 19.705 2.678 1.00 0.00 H new ATOM 0 HG23 VAL A 110 13.608 18.286 3.566 1.00 0.00 H new ATOM 1472 N LEU A 111 10.287 15.963 0.526 1.00 0.00 N ATOM 1473 CA LEU A 111 9.855 14.939 -0.413 1.00 0.00 C ATOM 1474 C LEU A 111 9.379 15.602 -1.698 1.00 0.00 C ATOM 1475 O LEU A 111 8.182 15.778 -1.923 1.00 0.00 O ATOM 1476 CB LEU A 111 8.737 14.079 0.202 1.00 0.00 C ATOM 1477 CG LEU A 111 8.547 12.676 -0.406 1.00 0.00 C ATOM 1478 CD1 LEU A 111 7.628 11.843 0.473 1.00 0.00 C ATOM 1479 CD2 LEU A 111 7.978 12.741 -1.820 1.00 0.00 C ATOM 0 H LEU A 111 9.540 16.341 1.109 1.00 0.00 H new ATOM 0 HA LEU A 111 10.695 14.282 -0.640 1.00 0.00 H new ATOM 0 HB2 LEU A 111 8.938 13.967 1.267 1.00 0.00 H new ATOM 0 HB3 LEU A 111 7.797 14.623 0.110 1.00 0.00 H new ATOM 0 HG LEU A 111 9.531 12.209 -0.459 1.00 0.00 H new ATOM 0 HD11 LEU A 111 7.502 10.854 0.033 1.00 0.00 H new ATOM 0 HD12 LEU A 111 8.065 11.745 1.467 1.00 0.00 H new ATOM 0 HD13 LEU A 111 6.657 12.332 0.551 1.00 0.00 H new ATOM 0 HD21 LEU A 111 7.860 11.731 -2.211 1.00 0.00 H new ATOM 0 HD22 LEU A 111 7.008 13.238 -1.799 1.00 0.00 H new ATOM 0 HD23 LEU A 111 8.659 13.301 -2.461 1.00 0.00 H new ATOM 1490 N LYS A 112 10.329 16.010 -2.522 1.00 0.00 N ATOM 1491 CA LYS A 112 10.016 16.642 -3.787 1.00 0.00 C ATOM 1492 C LYS A 112 10.774 15.955 -4.910 1.00 0.00 C ATOM 1493 O LYS A 112 11.945 16.251 -5.142 1.00 0.00 O ATOM 1494 CB LYS A 112 10.379 18.125 -3.744 1.00 0.00 C ATOM 1495 CG LYS A 112 9.915 18.901 -4.965 1.00 0.00 C ATOM 1496 CD LYS A 112 10.403 20.337 -4.927 1.00 0.00 C ATOM 1497 CE LYS A 112 11.901 20.429 -5.171 1.00 0.00 C ATOM 1498 NZ LYS A 112 12.373 21.838 -5.170 1.00 0.00 N ATOM 0 H LYS A 112 11.327 15.913 -2.334 1.00 0.00 H new ATOM 0 HA LYS A 112 8.945 16.549 -3.969 1.00 0.00 H new ATOM 0 HB2 LYS A 112 9.941 18.572 -2.852 1.00 0.00 H new ATOM 0 HB3 LYS A 112 11.461 18.223 -3.651 1.00 0.00 H new ATOM 0 HG2 LYS A 112 10.282 18.414 -5.868 1.00 0.00 H new ATOM 0 HG3 LYS A 112 8.826 18.886 -5.015 1.00 0.00 H new ATOM 0 HD2 LYS A 112 9.875 20.921 -5.681 1.00 0.00 H new ATOM 0 HD3 LYS A 112 10.164 20.777 -3.959 1.00 0.00 H new ATOM 0 HE2 LYS A 112 12.430 19.868 -4.401 1.00 0.00 H new ATOM 0 HE3 LYS A 112 12.143 19.965 -6.127 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 13.399 21.861 -5.339 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 11.886 22.368 -5.921 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 12.165 22.273 -4.249 1.00 0.00 H new ATOM 1508 N SER A 113 10.109 15.021 -5.579 1.00 0.00 N ATOM 1509 CA SER A 113 10.711 14.287 -6.682 1.00 0.00 C ATOM 1510 C SER A 113 11.208 15.253 -7.759 1.00 0.00 C ATOM 1511 O SER A 113 10.417 15.939 -8.414 1.00 0.00 O ATOM 1512 CB SER A 113 9.692 13.302 -7.271 1.00 0.00 C ATOM 1513 OG SER A 113 10.307 12.392 -8.168 1.00 0.00 O ATOM 0 H SER A 113 9.146 14.754 -5.374 1.00 0.00 H new ATOM 0 HA SER A 113 11.567 13.725 -6.307 1.00 0.00 H new ATOM 0 HB2 SER A 113 9.210 12.750 -6.464 1.00 0.00 H new ATOM 0 HB3 SER A 113 8.909 13.854 -7.791 1.00 0.00 H new ATOM 0 HG SER A 113 9.632 11.777 -8.524 1.00 0.00 H new ATOM 1518 N SER A 114 12.524 15.319 -7.911 1.00 0.00 N ATOM 1519 CA SER A 114 13.145 16.194 -8.889 1.00 0.00 C ATOM 1520 C SER A 114 14.385 15.528 -9.473 1.00 0.00 C ATOM 1521 O SER A 114 15.283 15.104 -8.738 1.00 0.00 O ATOM 1522 CB SER A 114 13.519 17.530 -8.233 1.00 0.00 C ATOM 1523 OG SER A 114 14.104 18.425 -9.169 1.00 0.00 O ATOM 0 H SER A 114 13.185 14.770 -7.362 1.00 0.00 H new ATOM 0 HA SER A 114 12.437 16.384 -9.696 1.00 0.00 H new ATOM 0 HB2 SER A 114 12.628 17.986 -7.800 1.00 0.00 H new ATOM 0 HB3 SER A 114 14.216 17.352 -7.414 1.00 0.00 H new ATOM 0 HG SER A 114 14.329 19.267 -8.720 1.00 0.00 H new ATOM 1528 N SER A 115 14.425 15.433 -10.797 1.00 0.00 N ATOM 1529 CA SER A 115 15.549 14.823 -11.489 1.00 0.00 C ATOM 1530 C SER A 115 16.739 15.769 -11.486 1.00 0.00 C ATOM 1531 O SER A 115 17.875 15.361 -11.250 1.00 0.00 O ATOM 1532 CB SER A 115 15.155 14.486 -12.927 1.00 0.00 C ATOM 1533 OG SER A 115 13.935 13.764 -12.963 1.00 0.00 O ATOM 0 H SER A 115 13.687 15.773 -11.413 1.00 0.00 H new ATOM 0 HA SER A 115 15.826 13.905 -10.971 1.00 0.00 H new ATOM 0 HB2 SER A 115 15.056 15.404 -13.505 1.00 0.00 H new ATOM 0 HB3 SER A 115 15.944 13.898 -13.396 1.00 0.00 H new ATOM 0 HG SER A 115 13.702 13.561 -13.893 1.00 0.00 H new ATOM 1538 N GLU A 116 16.470 17.037 -11.745 1.00 0.00 N ATOM 1539 CA GLU A 116 17.507 18.044 -11.762 1.00 0.00 C ATOM 1540 C GLU A 116 17.214 19.088 -10.694 1.00 0.00 C ATOM 1541 O GLU A 116 16.563 20.104 -11.013 1.00 0.00 O ATOM 1542 CB GLU A 116 17.596 18.695 -13.142 1.00 0.00 C ATOM 1543 CG GLU A 116 18.792 19.613 -13.299 1.00 0.00 C ATOM 1544 CD GLU A 116 18.774 20.379 -14.604 1.00 0.00 C ATOM 1545 OE1 GLU A 116 19.218 19.828 -15.632 1.00 0.00 O ATOM 1546 OE2 GLU A 116 18.313 21.540 -14.604 1.00 0.00 O ATOM 0 H GLU A 116 15.535 17.391 -11.947 1.00 0.00 H new ATOM 0 HA GLU A 116 18.468 17.576 -11.548 1.00 0.00 H new ATOM 0 HB2 GLU A 116 17.644 17.914 -13.901 1.00 0.00 H new ATOM 0 HB3 GLU A 116 16.684 19.263 -13.327 1.00 0.00 H new ATOM 0 HG2 GLU A 116 18.814 20.319 -12.469 1.00 0.00 H new ATOM 0 HG3 GLU A 116 19.707 19.024 -13.241 1.00 0.00 H new TER 1551 GLU A 116