USER MOD reduce.3.24.130724 H: found=0, std=0, add=858, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 735 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 65 GLN : amide:sc= -2.61 K(o=-2.8,f=-4.2) USER MOD Set 1.2: A 68 LYS NZ :NH3+ 136:sc= -0.159 (180deg=-1.07) USER MOD Set 2.1: A 45 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 47 THR OG1 : rot 180:sc= 0.0802 USER MOD Single : A 25 ASN :FLIP amide:sc= -0.343 F(o=-1.1,f=-0.34) USER MOD Single : A 27 THR OG1 : rot 180:sc= 0.239 USER MOD Single : A 35 HIS : no HD1:sc= -2.38 K(o=-2.4,f=-3.1!) USER MOD Single : A 38 LYS NZ :NH3+ 174:sc= -0.559 (180deg=-0.59) USER MOD Single : A 39 ASN : amide:sc= 1.04 K(o=1,f=-5!) USER MOD Single : A 42 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 SER OG : rot -55:sc= 0.28 USER MOD Single : A 54 LYS NZ :NH3+ -132:sc= 0 (180deg=-0.518) USER MOD Single : A 57 ASN : amide:sc= -0.474 X(o=-0.47,f=-0.45) USER MOD Single : A 58 SER OG : rot -165:sc= 0.419 USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 THR OG1 : rot 180:sc= -0.729 USER MOD Single : A 63 MET CE :methyl 159:sc= -0.215 (180deg=-1.06) USER MOD Single : A 66 MET CE :methyl -118:sc= -3.74 (180deg=-11.7!) USER MOD Single : A 71 SER OG : rot -24:sc= 0.274 USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 85 HIS : no HD1:sc= -0.444 X(o=-0.44,f=-0.47) USER MOD Single : A 92 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 94 ASN :FLIP amide:sc= -0.289 F(o=-0.84,f=-0.29) USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 100 ASN :FLIP amide:sc= 0.76 F(o=-0.27,f=0.76) USER MOD Single : A 101 ASN : amide:sc= -0.843 K(o=-0.84,f=-1.7) USER MOD Single : A 102 THR OG1 : rot 180:sc= 0 USER MOD Single : A 105 TYR OH : rot 180:sc= 0 USER MOD Single : A 113 GLN : amide:sc= -0.17 X(o=-0.17,f=-0.2) USER MOD Single : A 114 TYR OH : rot 180:sc= 0 USER MOD Single : A 116 THR OG1 : rot -140:sc= -0.763 USER MOD Single : A 117 TYR OH : rot 69:sc= -0.805 USER MOD Single : A 120 ASN : amide:sc= -0.473 K(o=-0.47,f=-9.3!) USER MOD Single : A 122 SER OG : rot 180:sc= 0 USER MOD Single : A 130 THR OG1 : rot 180:sc= -0.0558 USER MOD Single : A 131 SER OG : rot -160:sc= 0 USER MOD Single : A 133 THR OG1 : rot 180:sc= 0 USER MOD Single : A 144 THR OG1 : rot 18:sc= 0.435 USER MOD Single : A 146 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 16 N ILE A 22 7.048 -9.700 3.573 1.00 0.00 N ATOM 17 CA ILE A 22 6.207 -9.170 2.506 1.00 0.00 C ATOM 18 C ILE A 22 6.795 -7.888 1.928 1.00 0.00 C ATOM 19 O ILE A 22 7.308 -7.042 2.661 1.00 0.00 O ATOM 20 CB ILE A 22 4.778 -8.888 3.003 1.00 0.00 C ATOM 21 CG1 ILE A 22 4.154 -10.161 3.580 1.00 0.00 C ATOM 22 CG2 ILE A 22 3.922 -8.339 1.871 1.00 0.00 C ATOM 23 CD1 ILE A 22 3.976 -11.263 2.558 1.00 0.00 C ATOM 0 HA ILE A 22 6.168 -9.932 1.727 1.00 0.00 H new ATOM 0 HB ILE A 22 4.826 -8.139 3.793 1.00 0.00 H new ATOM 0 HG12 ILE A 22 4.781 -10.528 4.392 1.00 0.00 H new ATOM 0 HG13 ILE A 22 3.184 -9.917 4.012 1.00 0.00 H new ATOM 0 HG21 ILE A 22 2.914 -8.145 2.238 1.00 0.00 H new ATOM 0 HG22 ILE A 22 4.359 -7.411 1.502 1.00 0.00 H new ATOM 0 HG23 ILE A 22 3.879 -9.067 1.061 1.00 0.00 H new ATOM 0 HD11 ILE A 22 3.529 -12.134 3.037 1.00 0.00 H new ATOM 0 HD12 ILE A 22 3.324 -10.915 1.757 1.00 0.00 H new ATOM 0 HD13 ILE A 22 4.947 -11.535 2.143 1.00 0.00 H new ATOM 34 N ASP A 23 6.716 -7.750 0.608 1.00 0.00 N ATOM 35 CA ASP A 23 7.238 -6.568 -0.068 1.00 0.00 C ATOM 36 C ASP A 23 6.103 -5.731 -0.650 1.00 0.00 C ATOM 37 O ASP A 23 5.191 -6.259 -1.288 1.00 0.00 O ATOM 38 CB ASP A 23 8.208 -6.978 -1.178 1.00 0.00 C ATOM 39 CG ASP A 23 9.312 -5.959 -1.386 1.00 0.00 C ATOM 40 OD1 ASP A 23 9.249 -4.879 -0.761 1.00 0.00 O ATOM 41 OD2 ASP A 23 10.239 -6.243 -2.172 1.00 0.00 O ATOM 0 H ASP A 23 6.296 -8.441 -0.014 1.00 0.00 H new ATOM 0 HA ASP A 23 7.772 -5.964 0.666 1.00 0.00 H new ATOM 0 HB2 ASP A 23 8.650 -7.944 -0.932 1.00 0.00 H new ATOM 0 HB3 ASP A 23 7.657 -7.108 -2.109 1.00 0.00 H new ATOM 45 N LEU A 24 6.166 -4.423 -0.427 1.00 0.00 N ATOM 46 CA LEU A 24 5.142 -3.512 -0.928 1.00 0.00 C ATOM 47 C LEU A 24 5.685 -2.659 -2.071 1.00 0.00 C ATOM 48 O LEU A 24 6.895 -2.483 -2.206 1.00 0.00 O ATOM 49 CB LEU A 24 4.638 -2.610 0.200 1.00 0.00 C ATOM 50 CG LEU A 24 3.591 -3.222 1.131 1.00 0.00 C ATOM 51 CD1 LEU A 24 2.356 -3.637 0.347 1.00 0.00 C ATOM 52 CD2 LEU A 24 4.174 -4.412 1.879 1.00 0.00 C ATOM 0 H LEU A 24 6.914 -3.969 0.097 1.00 0.00 H new ATOM 0 HA LEU A 24 4.312 -4.109 -1.306 1.00 0.00 H new ATOM 0 HB2 LEU A 24 5.493 -2.301 0.801 1.00 0.00 H new ATOM 0 HB3 LEU A 24 4.218 -1.708 -0.244 1.00 0.00 H new ATOM 0 HG LEU A 24 3.296 -2.468 1.860 1.00 0.00 H new ATOM 0 HD11 LEU A 24 1.622 -4.070 1.027 1.00 0.00 H new ATOM 0 HD12 LEU A 24 1.926 -2.764 -0.143 1.00 0.00 H new ATOM 0 HD13 LEU A 24 2.634 -4.375 -0.406 1.00 0.00 H new ATOM 0 HD21 LEU A 24 3.415 -4.835 2.537 1.00 0.00 H new ATOM 0 HD22 LEU A 24 4.497 -5.168 1.164 1.00 0.00 H new ATOM 0 HD23 LEU A 24 5.028 -4.086 2.473 1.00 0.00 H new ATOM 63 N ASN A 25 4.781 -2.132 -2.889 1.00 0.00 N ATOM 64 CA ASN A 25 5.170 -1.296 -4.021 1.00 0.00 C ATOM 65 C ASN A 25 4.268 -0.070 -4.126 1.00 0.00 C ATOM 66 O ASN A 25 3.086 -0.126 -3.787 1.00 0.00 O ATOM 67 CB ASN A 25 5.110 -2.100 -5.320 1.00 0.00 C ATOM 68 CG ASN A 25 5.534 -3.543 -5.126 1.00 0.00 C ATOM 69 OD1 ASN A 25 6.759 -3.741 -4.653 1.00 0.00 O flip ATOM 70 ND2 ASN A 25 4.771 -4.471 -5.400 1.00 0.00 N flip ATOM 0 H ASN A 25 3.775 -2.268 -2.791 1.00 0.00 H new ATOM 0 HA ASN A 25 6.194 -0.959 -3.858 1.00 0.00 H new ATOM 0 HB2 ASN A 25 4.094 -2.072 -5.715 1.00 0.00 H new ATOM 0 HB3 ASN A 25 5.754 -1.632 -6.064 1.00 0.00 H new ATOM 0 HD21 ASN A 25 3.838 -4.274 -5.761 1.00 0.00 H new ATOM 0 HD22 ASN A 25 5.073 -5.436 -5.265 1.00 0.00 H new ATOM 76 N ILE A 26 4.835 1.035 -4.598 1.00 0.00 N ATOM 77 CA ILE A 26 4.082 2.274 -4.749 1.00 0.00 C ATOM 78 C ILE A 26 4.349 2.918 -6.106 1.00 0.00 C ATOM 79 O ILE A 26 5.501 3.111 -6.498 1.00 0.00 O ATOM 80 CB ILE A 26 4.428 3.282 -3.638 1.00 0.00 C ATOM 81 CG1 ILE A 26 4.392 2.599 -2.270 1.00 0.00 C ATOM 82 CG2 ILE A 26 3.465 4.461 -3.673 1.00 0.00 C ATOM 83 CD1 ILE A 26 3.027 2.067 -1.896 1.00 0.00 C ATOM 0 H ILE A 26 5.813 1.098 -4.882 1.00 0.00 H new ATOM 0 HA ILE A 26 3.026 2.013 -4.675 1.00 0.00 H new ATOM 0 HB ILE A 26 5.437 3.657 -3.810 1.00 0.00 H new ATOM 0 HG12 ILE A 26 5.107 1.777 -2.265 1.00 0.00 H new ATOM 0 HG13 ILE A 26 4.717 3.309 -1.510 1.00 0.00 H new ATOM 0 HG21 ILE A 26 3.723 5.165 -2.882 1.00 0.00 H new ATOM 0 HG22 ILE A 26 3.536 4.960 -4.640 1.00 0.00 H new ATOM 0 HG23 ILE A 26 2.446 4.103 -3.523 1.00 0.00 H new ATOM 0 HD11 ILE A 26 3.077 1.596 -0.914 1.00 0.00 H new ATOM 0 HD12 ILE A 26 2.311 2.889 -1.869 1.00 0.00 H new ATOM 0 HD13 ILE A 26 2.708 1.332 -2.635 1.00 0.00 H new ATOM 94 N THR A 27 3.278 3.248 -6.820 1.00 0.00 N ATOM 95 CA THR A 27 3.397 3.872 -8.131 1.00 0.00 C ATOM 96 C THR A 27 3.457 5.391 -8.018 1.00 0.00 C ATOM 97 O THR A 27 3.628 5.935 -6.926 1.00 0.00 O ATOM 98 CB THR A 27 2.219 3.483 -9.046 1.00 0.00 C ATOM 99 OG1 THR A 27 2.532 3.798 -10.408 1.00 0.00 O ATOM 100 CG2 THR A 27 0.949 4.211 -8.631 1.00 0.00 C ATOM 0 H THR A 27 2.318 3.093 -6.512 1.00 0.00 H new ATOM 0 HA THR A 27 4.326 3.508 -8.569 1.00 0.00 H new ATOM 0 HB THR A 27 2.052 2.410 -8.951 1.00 0.00 H new ATOM 0 HG1 THR A 27 1.780 3.546 -10.983 1.00 0.00 H new ATOM 0 HG21 THR A 27 0.131 3.921 -9.291 1.00 0.00 H new ATOM 0 HG22 THR A 27 0.698 3.947 -7.604 1.00 0.00 H new ATOM 0 HG23 THR A 27 1.107 5.287 -8.701 1.00 0.00 H new ATOM 108 N CYS A 28 3.313 6.071 -9.150 1.00 0.00 N ATOM 109 CA CYS A 28 3.350 7.528 -9.176 1.00 0.00 C ATOM 110 C CYS A 28 2.473 8.115 -8.073 1.00 0.00 C ATOM 111 O CYS A 28 1.300 7.766 -7.949 1.00 0.00 O ATOM 112 CB CYS A 28 2.889 8.046 -10.540 1.00 0.00 C ATOM 113 SG CYS A 28 4.042 7.680 -11.903 1.00 0.00 S ATOM 0 H CYS A 28 3.170 5.636 -10.062 1.00 0.00 H new ATOM 0 HA CYS A 28 4.379 7.844 -9.004 1.00 0.00 H new ATOM 0 HB2 CYS A 28 1.918 7.610 -10.773 1.00 0.00 H new ATOM 0 HB3 CYS A 28 2.747 9.125 -10.478 1.00 0.00 H new ATOM 117 N ARG A 29 3.051 9.008 -7.278 1.00 0.00 N ATOM 118 CA ARG A 29 2.324 9.643 -6.186 1.00 0.00 C ATOM 119 C ARG A 29 1.429 10.764 -6.708 1.00 0.00 C ATOM 120 O ARG A 29 1.916 11.777 -7.211 1.00 0.00 O ATOM 121 CB ARG A 29 3.301 10.198 -5.147 1.00 0.00 C ATOM 122 CG ARG A 29 2.641 10.574 -3.830 1.00 0.00 C ATOM 123 CD ARG A 29 3.559 11.432 -2.973 1.00 0.00 C ATOM 124 NE ARG A 29 3.891 10.782 -1.708 1.00 0.00 N ATOM 125 CZ ARG A 29 4.829 9.850 -1.585 1.00 0.00 C ATOM 126 NH1 ARG A 29 5.523 9.460 -2.644 1.00 0.00 N ATOM 127 NH2 ARG A 29 5.073 9.305 -0.400 1.00 0.00 N ATOM 0 H ARG A 29 4.021 9.309 -7.369 1.00 0.00 H new ATOM 0 HA ARG A 29 1.695 8.888 -5.715 1.00 0.00 H new ATOM 0 HB2 ARG A 29 4.076 9.456 -4.956 1.00 0.00 H new ATOM 0 HB3 ARG A 29 3.796 11.077 -5.559 1.00 0.00 H new ATOM 0 HG2 ARG A 29 1.715 11.114 -4.027 1.00 0.00 H new ATOM 0 HG3 ARG A 29 2.373 9.669 -3.285 1.00 0.00 H new ATOM 0 HD2 ARG A 29 4.476 11.644 -3.523 1.00 0.00 H new ATOM 0 HD3 ARG A 29 3.078 12.390 -2.773 1.00 0.00 H new ATOM 0 HE ARG A 29 3.374 11.059 -0.873 1.00 0.00 H new ATOM 0 HH11 ARG A 29 5.337 9.876 -3.557 1.00 0.00 H new ATOM 0 HH12 ARG A 29 6.243 8.744 -2.547 1.00 0.00 H new ATOM 0 HH21 ARG A 29 4.540 9.602 0.417 1.00 0.00 H new ATOM 0 HH22 ARG A 29 5.794 8.589 -0.307 1.00 0.00 H new ATOM 138 N PHE A 30 0.119 10.574 -6.586 1.00 0.00 N ATOM 139 CA PHE A 30 -0.844 11.567 -7.046 1.00 0.00 C ATOM 140 C PHE A 30 -0.978 12.703 -6.037 1.00 0.00 C ATOM 141 O PHE A 30 -0.314 12.709 -5.000 1.00 0.00 O ATOM 142 CB PHE A 30 -2.208 10.916 -7.281 1.00 0.00 C ATOM 143 CG PHE A 30 -2.161 9.755 -8.234 1.00 0.00 C ATOM 144 CD1 PHE A 30 -1.872 8.480 -7.779 1.00 0.00 C ATOM 145 CD2 PHE A 30 -2.407 9.942 -9.585 1.00 0.00 C ATOM 146 CE1 PHE A 30 -1.830 7.409 -8.654 1.00 0.00 C ATOM 147 CE2 PHE A 30 -2.365 8.876 -10.463 1.00 0.00 C ATOM 148 CZ PHE A 30 -2.076 7.608 -9.998 1.00 0.00 C ATOM 0 H PHE A 30 -0.300 9.741 -6.172 1.00 0.00 H new ATOM 0 HA PHE A 30 -0.480 11.980 -7.986 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -2.609 10.576 -6.326 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -2.898 11.666 -7.668 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -1.677 8.319 -6.729 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -2.634 10.931 -9.955 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -1.605 6.419 -8.286 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -2.558 9.034 -11.514 1.00 0.00 H new ATOM 0 HZ PHE A 30 -2.043 6.774 -10.684 1.00 0.00 H new ATOM 157 N ALA A 31 -1.840 13.665 -6.348 1.00 0.00 N ATOM 158 CA ALA A 31 -2.063 14.806 -5.469 1.00 0.00 C ATOM 159 C ALA A 31 -2.348 14.352 -4.042 1.00 0.00 C ATOM 160 O ALA A 31 -3.493 14.072 -3.685 1.00 0.00 O ATOM 161 CB ALA A 31 -3.209 15.660 -5.993 1.00 0.00 C ATOM 0 H ALA A 31 -2.396 13.677 -7.203 1.00 0.00 H new ATOM 0 HA ALA A 31 -1.154 15.407 -5.456 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -3.365 16.509 -5.327 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -2.965 16.023 -6.992 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -4.119 15.061 -6.036 1.00 0.00 H new ATOM 167 N GLY A 32 -1.300 14.280 -3.228 1.00 0.00 N ATOM 168 CA GLY A 32 -1.459 13.857 -1.848 1.00 0.00 C ATOM 169 C GLY A 32 -2.207 12.544 -1.727 1.00 0.00 C ATOM 170 O GLY A 32 -2.763 12.233 -0.673 1.00 0.00 O ATOM 0 H GLY A 32 -0.343 14.507 -3.499 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -0.477 13.756 -1.387 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -1.993 14.629 -1.294 1.00 0.00 H new ATOM 174 N VAL A 33 -2.224 11.771 -2.808 1.00 0.00 N ATOM 175 CA VAL A 33 -2.909 10.484 -2.819 1.00 0.00 C ATOM 176 C VAL A 33 -2.091 9.432 -3.558 1.00 0.00 C ATOM 177 O VAL A 33 -1.417 9.734 -4.544 1.00 0.00 O ATOM 178 CB VAL A 33 -4.298 10.596 -3.475 1.00 0.00 C ATOM 179 CG1 VAL A 33 -4.968 9.231 -3.541 1.00 0.00 C ATOM 180 CG2 VAL A 33 -5.167 11.588 -2.719 1.00 0.00 C ATOM 0 H VAL A 33 -1.771 12.014 -3.689 1.00 0.00 H new ATOM 0 HA VAL A 33 -3.030 10.179 -1.780 1.00 0.00 H new ATOM 0 HB VAL A 33 -4.171 10.963 -4.493 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -5.948 9.329 -4.007 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -4.352 8.552 -4.130 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -5.084 8.833 -2.533 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -6.144 11.654 -3.197 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -5.289 11.254 -1.689 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -4.692 12.569 -2.728 1.00 0.00 H new ATOM 190 N PHE A 34 -2.157 8.195 -3.077 1.00 0.00 N ATOM 191 CA PHE A 34 -1.422 7.097 -3.693 1.00 0.00 C ATOM 192 C PHE A 34 -1.973 5.750 -3.234 1.00 0.00 C ATOM 193 O PHE A 34 -2.638 5.656 -2.202 1.00 0.00 O ATOM 194 CB PHE A 34 0.066 7.195 -3.349 1.00 0.00 C ATOM 195 CG PHE A 34 0.353 7.057 -1.881 1.00 0.00 C ATOM 196 CD1 PHE A 34 0.077 8.096 -1.008 1.00 0.00 C ATOM 197 CD2 PHE A 34 0.899 5.889 -1.375 1.00 0.00 C ATOM 198 CE1 PHE A 34 0.340 7.973 0.344 1.00 0.00 C ATOM 199 CE2 PHE A 34 1.163 5.759 -0.024 1.00 0.00 C ATOM 200 CZ PHE A 34 0.885 6.803 0.836 1.00 0.00 C ATOM 0 H PHE A 34 -2.711 7.928 -2.263 1.00 0.00 H new ATOM 0 HA PHE A 34 -1.544 7.172 -4.774 1.00 0.00 H new ATOM 0 HB2 PHE A 34 0.608 6.420 -3.891 1.00 0.00 H new ATOM 0 HB3 PHE A 34 0.449 8.154 -3.697 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -0.349 9.013 -1.388 1.00 0.00 H new ATOM 0 HD2 PHE A 34 1.121 5.070 -2.043 1.00 0.00 H new ATOM 0 HE1 PHE A 34 0.120 8.791 1.014 1.00 0.00 H new ATOM 0 HE2 PHE A 34 1.586 4.842 0.358 1.00 0.00 H new ATOM 0 HZ PHE A 34 1.093 6.705 1.891 1.00 0.00 H new ATOM 209 N HIS A 35 -1.693 4.707 -4.010 1.00 0.00 N ATOM 210 CA HIS A 35 -2.161 3.364 -3.686 1.00 0.00 C ATOM 211 C HIS A 35 -0.994 2.464 -3.287 1.00 0.00 C ATOM 212 O HIS A 35 0.137 2.668 -3.724 1.00 0.00 O ATOM 213 CB HIS A 35 -2.903 2.757 -4.876 1.00 0.00 C ATOM 214 CG HIS A 35 -2.013 2.011 -5.821 1.00 0.00 C ATOM 215 ND1 HIS A 35 -0.865 2.552 -6.359 1.00 0.00 N ATOM 216 CD2 HIS A 35 -2.105 0.756 -6.320 1.00 0.00 C ATOM 217 CE1 HIS A 35 -0.291 1.664 -7.151 1.00 0.00 C ATOM 218 NE2 HIS A 35 -1.024 0.564 -7.145 1.00 0.00 N ATOM 0 H HIS A 35 -1.144 4.766 -4.868 1.00 0.00 H new ATOM 0 HA HIS A 35 -2.846 3.439 -2.841 1.00 0.00 H new ATOM 0 HB2 HIS A 35 -3.674 2.081 -4.506 1.00 0.00 H new ATOM 0 HB3 HIS A 35 -3.411 3.553 -5.421 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -2.884 0.039 -6.109 1.00 0.00 H new ATOM 0 HE1 HIS A 35 0.622 1.812 -7.709 1.00 0.00 H new ATOM 0 HE2 HIS A 35 -0.820 -0.288 -7.668 1.00 0.00 H new ATOM 225 N VAL A 36 -1.280 1.469 -2.453 1.00 0.00 N ATOM 226 CA VAL A 36 -0.256 0.539 -1.995 1.00 0.00 C ATOM 227 C VAL A 36 -0.524 -0.871 -2.509 1.00 0.00 C ATOM 228 O VAL A 36 -1.594 -1.432 -2.279 1.00 0.00 O ATOM 229 CB VAL A 36 -0.174 0.505 -0.457 1.00 0.00 C ATOM 230 CG1 VAL A 36 0.863 -0.508 0.002 1.00 0.00 C ATOM 231 CG2 VAL A 36 0.141 1.890 0.090 1.00 0.00 C ATOM 0 H VAL A 36 -2.212 1.287 -2.081 1.00 0.00 H new ATOM 0 HA VAL A 36 0.694 0.894 -2.394 1.00 0.00 H new ATOM 0 HB VAL A 36 -1.144 0.197 -0.066 1.00 0.00 H new ATOM 0 HG11 VAL A 36 0.906 -0.517 1.091 1.00 0.00 H new ATOM 0 HG12 VAL A 36 0.588 -1.499 -0.358 1.00 0.00 H new ATOM 0 HG13 VAL A 36 1.840 -0.235 -0.397 1.00 0.00 H new ATOM 0 HG21 VAL A 36 0.195 1.848 1.178 1.00 0.00 H new ATOM 0 HG22 VAL A 36 1.097 2.230 -0.308 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -0.644 2.586 -0.207 1.00 0.00 H new ATOM 241 N GLU A 37 0.456 -1.437 -3.206 1.00 0.00 N ATOM 242 CA GLU A 37 0.325 -2.782 -3.753 1.00 0.00 C ATOM 243 C GLU A 37 1.318 -3.737 -3.096 1.00 0.00 C ATOM 244 O GLU A 37 2.330 -3.312 -2.538 1.00 0.00 O ATOM 245 CB GLU A 37 0.544 -2.763 -5.268 1.00 0.00 C ATOM 246 CG GLU A 37 0.003 -3.995 -5.976 1.00 0.00 C ATOM 247 CD GLU A 37 -1.429 -4.310 -5.586 1.00 0.00 C ATOM 248 OE1 GLU A 37 -2.222 -3.359 -5.427 1.00 0.00 O ATOM 249 OE2 GLU A 37 -1.755 -5.506 -5.442 1.00 0.00 O ATOM 0 H GLU A 37 1.349 -0.985 -3.405 1.00 0.00 H new ATOM 0 HA GLU A 37 -0.684 -3.135 -3.543 1.00 0.00 H new ATOM 0 HB2 GLU A 37 0.067 -1.876 -5.685 1.00 0.00 H new ATOM 0 HB3 GLU A 37 1.611 -2.676 -5.471 1.00 0.00 H new ATOM 0 HG2 GLU A 37 0.057 -3.843 -7.054 1.00 0.00 H new ATOM 0 HG3 GLU A 37 0.636 -4.851 -5.743 1.00 0.00 H new ATOM 254 N LYS A 38 1.021 -5.030 -3.165 1.00 0.00 N ATOM 255 CA LYS A 38 1.887 -6.046 -2.579 1.00 0.00 C ATOM 256 C LYS A 38 2.619 -6.829 -3.664 1.00 0.00 C ATOM 257 O LYS A 38 2.205 -6.839 -4.822 1.00 0.00 O ATOM 258 CB LYS A 38 1.066 -7.004 -1.712 1.00 0.00 C ATOM 259 CG LYS A 38 1.854 -7.610 -0.562 1.00 0.00 C ATOM 260 CD LYS A 38 1.040 -8.656 0.181 1.00 0.00 C ATOM 261 CE LYS A 38 -0.069 -8.018 1.003 1.00 0.00 C ATOM 262 NZ LYS A 38 0.471 -7.206 2.128 1.00 0.00 N ATOM 0 H LYS A 38 0.187 -5.399 -3.621 1.00 0.00 H new ATOM 0 HA LYS A 38 2.627 -5.543 -1.957 1.00 0.00 H new ATOM 0 HB2 LYS A 38 0.205 -6.470 -1.310 1.00 0.00 H new ATOM 0 HB3 LYS A 38 0.679 -7.807 -2.339 1.00 0.00 H new ATOM 0 HG2 LYS A 38 2.768 -8.064 -0.945 1.00 0.00 H new ATOM 0 HG3 LYS A 38 2.154 -6.823 0.129 1.00 0.00 H new ATOM 0 HD2 LYS A 38 0.608 -9.357 -0.533 1.00 0.00 H new ATOM 0 HD3 LYS A 38 1.695 -9.231 0.836 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -0.680 -7.385 0.359 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -0.722 -8.796 1.398 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -0.309 -6.707 2.602 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 0.947 -7.831 2.810 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 1.153 -6.512 1.760 1.00 0.00 H new ATOM 272 N ASN A 39 3.711 -7.483 -3.280 1.00 0.00 N ATOM 273 CA ASN A 39 4.501 -8.269 -4.221 1.00 0.00 C ATOM 274 C ASN A 39 3.648 -9.347 -4.881 1.00 0.00 C ATOM 275 O ASN A 39 3.893 -9.736 -6.022 1.00 0.00 O ATOM 276 CB ASN A 39 5.692 -8.911 -3.507 1.00 0.00 C ATOM 277 CG ASN A 39 5.278 -9.666 -2.258 1.00 0.00 C ATOM 278 OD1 ASN A 39 5.108 -9.075 -1.191 1.00 0.00 O ATOM 279 ND2 ASN A 39 5.115 -10.977 -2.385 1.00 0.00 N ATOM 0 H ASN A 39 4.069 -7.484 -2.325 1.00 0.00 H new ATOM 0 HA ASN A 39 4.869 -7.598 -4.997 1.00 0.00 H new ATOM 0 HB2 ASN A 39 6.197 -9.594 -4.190 1.00 0.00 H new ATOM 0 HB3 ASN A 39 6.412 -8.138 -3.239 1.00 0.00 H new ATOM 0 HD21 ASN A 39 4.838 -11.537 -1.579 1.00 0.00 H new ATOM 0 HD22 ASN A 39 5.267 -11.425 -3.289 1.00 0.00 H new ATOM 285 N GLY A 40 2.643 -9.827 -4.153 1.00 0.00 N ATOM 286 CA GLY A 40 1.768 -10.856 -4.685 1.00 0.00 C ATOM 287 C GLY A 40 0.567 -10.278 -5.407 1.00 0.00 C ATOM 288 O GLY A 40 0.518 -10.273 -6.637 1.00 0.00 O ATOM 0 H GLY A 40 2.420 -9.522 -3.206 1.00 0.00 H new ATOM 0 HA2 GLY A 40 2.331 -11.488 -5.371 1.00 0.00 H new ATOM 0 HA3 GLY A 40 1.426 -11.495 -3.871 1.00 0.00 H new ATOM 292 N ARG A 41 -0.405 -9.794 -4.642 1.00 0.00 N ATOM 293 CA ARG A 41 -1.613 -9.214 -5.216 1.00 0.00 C ATOM 294 C ARG A 41 -2.406 -8.451 -4.160 1.00 0.00 C ATOM 295 O ARG A 41 -1.943 -8.269 -3.033 1.00 0.00 O ATOM 296 CB ARG A 41 -2.486 -10.310 -5.832 1.00 0.00 C ATOM 297 CG ARG A 41 -3.041 -11.292 -4.811 1.00 0.00 C ATOM 298 CD ARG A 41 -4.139 -12.155 -5.411 1.00 0.00 C ATOM 299 NE ARG A 41 -4.776 -13.005 -4.408 1.00 0.00 N ATOM 300 CZ ARG A 41 -5.592 -14.009 -4.708 1.00 0.00 C ATOM 301 NH1 ARG A 41 -5.870 -14.288 -5.973 1.00 0.00 N ATOM 302 NH2 ARG A 41 -6.133 -14.738 -3.738 1.00 0.00 N ATOM 0 H ARG A 41 -0.380 -9.792 -3.622 1.00 0.00 H new ATOM 0 HA ARG A 41 -1.314 -8.514 -5.996 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -3.315 -9.845 -6.365 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -1.900 -10.858 -6.570 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -2.237 -11.928 -4.442 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -3.434 -10.745 -3.954 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -4.890 -11.516 -5.874 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -3.720 -12.778 -6.201 1.00 0.00 H new ATOM 0 HE ARG A 41 -4.584 -12.817 -3.424 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -5.457 -13.731 -6.721 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -6.497 -15.060 -6.199 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -5.922 -14.527 -2.763 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -6.760 -15.509 -3.969 1.00 0.00 H new ATOM 313 N TYR A 42 -3.602 -8.007 -4.530 1.00 0.00 N ATOM 314 CA TYR A 42 -4.457 -7.261 -3.616 1.00 0.00 C ATOM 315 C TYR A 42 -4.817 -8.103 -2.395 1.00 0.00 C ATOM 316 O TYR A 42 -5.711 -8.945 -2.451 1.00 0.00 O ATOM 317 CB TYR A 42 -5.731 -6.808 -4.330 1.00 0.00 C ATOM 318 CG TYR A 42 -5.478 -6.190 -5.687 1.00 0.00 C ATOM 319 CD1 TYR A 42 -4.607 -5.117 -5.830 1.00 0.00 C ATOM 320 CD2 TYR A 42 -6.110 -6.678 -6.824 1.00 0.00 C ATOM 321 CE1 TYR A 42 -4.374 -4.548 -7.067 1.00 0.00 C ATOM 322 CE2 TYR A 42 -5.882 -6.115 -8.065 1.00 0.00 C ATOM 323 CZ TYR A 42 -5.013 -5.051 -8.181 1.00 0.00 C ATOM 324 OH TYR A 42 -4.783 -4.487 -9.416 1.00 0.00 O ATOM 0 H TYR A 42 -4.001 -8.151 -5.458 1.00 0.00 H new ATOM 0 HA TYR A 42 -3.905 -6.383 -3.279 1.00 0.00 H new ATOM 0 HB2 TYR A 42 -6.395 -7.664 -4.448 1.00 0.00 H new ATOM 0 HB3 TYR A 42 -6.252 -6.085 -3.702 1.00 0.00 H new ATOM 0 HD1 TYR A 42 -4.104 -4.721 -4.960 1.00 0.00 H new ATOM 0 HD2 TYR A 42 -6.791 -7.512 -6.736 1.00 0.00 H new ATOM 0 HE1 TYR A 42 -3.695 -3.714 -7.161 1.00 0.00 H new ATOM 0 HE2 TYR A 42 -6.382 -6.506 -8.939 1.00 0.00 H new ATOM 0 HH TYR A 42 -5.310 -4.959 -10.094 1.00 0.00 H new ATOM 333 N SER A 43 -4.111 -7.868 -1.294 1.00 0.00 N ATOM 334 CA SER A 43 -4.352 -8.606 -0.060 1.00 0.00 C ATOM 335 C SER A 43 -4.332 -7.671 1.146 1.00 0.00 C ATOM 336 O SER A 43 -3.650 -7.933 2.136 1.00 0.00 O ATOM 337 CB SER A 43 -3.300 -9.704 0.116 1.00 0.00 C ATOM 338 OG SER A 43 -3.626 -10.552 1.204 1.00 0.00 O ATOM 0 H SER A 43 -3.368 -7.172 -1.231 1.00 0.00 H new ATOM 0 HA SER A 43 -5.339 -9.064 -0.127 1.00 0.00 H new ATOM 0 HB2 SER A 43 -3.227 -10.292 -0.799 1.00 0.00 H new ATOM 0 HB3 SER A 43 -2.322 -9.252 0.283 1.00 0.00 H new ATOM 0 HG SER A 43 -3.745 -10.014 2.014 1.00 0.00 H new ATOM 343 N ILE A 44 -5.086 -6.581 1.051 1.00 0.00 N ATOM 344 CA ILE A 44 -5.157 -5.606 2.133 1.00 0.00 C ATOM 345 C ILE A 44 -6.596 -5.404 2.598 1.00 0.00 C ATOM 346 O ILE A 44 -7.526 -5.421 1.794 1.00 0.00 O ATOM 347 CB ILE A 44 -4.571 -4.247 1.707 1.00 0.00 C ATOM 348 CG1 ILE A 44 -3.108 -4.406 1.291 1.00 0.00 C ATOM 349 CG2 ILE A 44 -4.700 -3.238 2.837 1.00 0.00 C ATOM 350 CD1 ILE A 44 -2.644 -3.359 0.303 1.00 0.00 C ATOM 0 H ILE A 44 -5.656 -6.351 0.237 1.00 0.00 H new ATOM 0 HA ILE A 44 -4.564 -6.005 2.956 1.00 0.00 H new ATOM 0 HB ILE A 44 -5.134 -3.877 0.850 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -2.479 -4.359 2.180 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -2.968 -5.394 0.853 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -4.282 -2.282 2.521 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -5.752 -3.108 3.090 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -4.159 -3.600 3.711 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -1.598 -3.533 0.053 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -3.248 -3.420 -0.602 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -2.751 -2.369 0.745 1.00 0.00 H new ATOM 361 N SER A 45 -6.768 -5.212 3.902 1.00 0.00 N ATOM 362 CA SER A 45 -8.095 -5.010 4.475 1.00 0.00 C ATOM 363 C SER A 45 -8.262 -3.573 4.959 1.00 0.00 C ATOM 364 O SER A 45 -7.289 -2.829 5.082 1.00 0.00 O ATOM 365 CB SER A 45 -8.327 -5.981 5.633 1.00 0.00 C ATOM 366 OG SER A 45 -9.700 -6.044 5.979 1.00 0.00 O ATOM 0 H SER A 45 -6.007 -5.192 4.581 1.00 0.00 H new ATOM 0 HA SER A 45 -8.834 -5.202 3.697 1.00 0.00 H new ATOM 0 HB2 SER A 45 -7.973 -6.974 5.356 1.00 0.00 H new ATOM 0 HB3 SER A 45 -7.745 -5.665 6.499 1.00 0.00 H new ATOM 0 HG SER A 45 -9.822 -6.673 6.721 1.00 0.00 H new ATOM 371 N ARG A 46 -9.504 -3.189 5.235 1.00 0.00 N ATOM 372 CA ARG A 46 -9.801 -1.841 5.704 1.00 0.00 C ATOM 373 C ARG A 46 -9.206 -1.605 7.091 1.00 0.00 C ATOM 374 O ARG A 46 -8.920 -0.470 7.471 1.00 0.00 O ATOM 375 CB ARG A 46 -11.314 -1.613 5.742 1.00 0.00 C ATOM 376 CG ARG A 46 -12.064 -2.638 6.577 1.00 0.00 C ATOM 377 CD ARG A 46 -13.324 -2.043 7.188 1.00 0.00 C ATOM 378 NE ARG A 46 -14.252 -1.562 6.168 1.00 0.00 N ATOM 379 CZ ARG A 46 -15.542 -1.342 6.393 1.00 0.00 C ATOM 380 NH1 ARG A 46 -16.056 -1.560 7.596 1.00 0.00 N ATOM 381 NH2 ARG A 46 -16.322 -0.903 5.414 1.00 0.00 N ATOM 0 H ARG A 46 -10.321 -3.793 5.142 1.00 0.00 H new ATOM 0 HA ARG A 46 -9.351 -1.133 5.008 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -11.513 -0.618 6.139 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -11.702 -1.633 4.723 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -12.329 -3.493 5.955 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -11.414 -3.009 7.369 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -13.819 -2.795 7.803 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -13.053 -1.220 7.849 1.00 0.00 H new ATOM 0 HE ARG A 46 -13.889 -1.385 5.231 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -15.460 -1.898 8.352 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -17.047 -1.390 7.765 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -15.931 -0.734 4.487 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -17.313 -0.734 5.588 1.00 0.00 H new ATOM 392 N THR A 47 -9.023 -2.687 7.841 1.00 0.00 N ATOM 393 CA THR A 47 -8.463 -2.598 9.185 1.00 0.00 C ATOM 394 C THR A 47 -6.962 -2.336 9.139 1.00 0.00 C ATOM 395 O THR A 47 -6.435 -1.559 9.934 1.00 0.00 O ATOM 396 CB THR A 47 -8.724 -3.887 9.988 1.00 0.00 C ATOM 397 OG1 THR A 47 -8.695 -5.021 9.116 1.00 0.00 O ATOM 398 CG2 THR A 47 -10.068 -3.819 10.697 1.00 0.00 C ATOM 0 H THR A 47 -9.254 -3.634 7.542 1.00 0.00 H new ATOM 0 HA THR A 47 -8.959 -1.763 9.680 1.00 0.00 H new ATOM 0 HB THR A 47 -7.940 -3.987 10.739 1.00 0.00 H new ATOM 0 HG1 THR A 47 -8.860 -5.836 9.634 1.00 0.00 H new ATOM 0 HG21 THR A 47 -10.231 -4.740 11.257 1.00 0.00 H new ATOM 0 HG22 THR A 47 -10.076 -2.971 11.382 1.00 0.00 H new ATOM 0 HG23 THR A 47 -10.862 -3.697 9.960 1.00 0.00 H new ATOM 406 N GLU A 48 -6.281 -2.987 8.203 1.00 0.00 N ATOM 407 CA GLU A 48 -4.838 -2.825 8.056 1.00 0.00 C ATOM 408 C GLU A 48 -4.515 -1.598 7.207 1.00 0.00 C ATOM 409 O GLU A 48 -3.433 -1.022 7.316 1.00 0.00 O ATOM 410 CB GLU A 48 -4.224 -4.073 7.422 1.00 0.00 C ATOM 411 CG GLU A 48 -4.157 -5.264 8.363 1.00 0.00 C ATOM 412 CD GLU A 48 -4.040 -6.584 7.628 1.00 0.00 C ATOM 413 OE1 GLU A 48 -4.982 -6.938 6.890 1.00 0.00 O ATOM 414 OE2 GLU A 48 -3.004 -7.264 7.790 1.00 0.00 O ATOM 0 H GLU A 48 -6.704 -3.631 7.535 1.00 0.00 H new ATOM 0 HA GLU A 48 -4.410 -2.684 9.048 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -4.807 -4.348 6.543 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -3.218 -3.837 7.076 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -3.303 -5.147 9.030 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -5.050 -5.279 8.988 1.00 0.00 H new ATOM 419 N ALA A 49 -5.460 -1.205 6.359 1.00 0.00 N ATOM 420 CA ALA A 49 -5.277 -0.048 5.493 1.00 0.00 C ATOM 421 C ALA A 49 -4.838 1.173 6.294 1.00 0.00 C ATOM 422 O ALA A 49 -3.823 1.798 5.983 1.00 0.00 O ATOM 423 CB ALA A 49 -6.561 0.251 4.733 1.00 0.00 C ATOM 0 H ALA A 49 -6.361 -1.672 6.254 1.00 0.00 H new ATOM 0 HA ALA A 49 -4.490 -0.282 4.776 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -6.410 1.118 4.090 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -6.832 -0.611 4.123 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -7.363 0.460 5.441 1.00 0.00 H new ATOM 429 N ALA A 50 -5.607 1.508 7.324 1.00 0.00 N ATOM 430 CA ALA A 50 -5.294 2.653 8.170 1.00 0.00 C ATOM 431 C ALA A 50 -3.860 2.584 8.681 1.00 0.00 C ATOM 432 O ALA A 50 -3.042 3.457 8.385 1.00 0.00 O ATOM 433 CB ALA A 50 -6.270 2.729 9.336 1.00 0.00 C ATOM 0 H ALA A 50 -6.451 1.003 7.593 1.00 0.00 H new ATOM 0 HA ALA A 50 -5.393 3.556 7.568 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -6.025 3.588 9.960 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -7.285 2.835 8.954 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -6.199 1.818 9.930 1.00 0.00 H new ATOM 439 N ASP A 51 -3.560 1.544 9.450 1.00 0.00 N ATOM 440 CA ASP A 51 -2.223 1.361 10.003 1.00 0.00 C ATOM 441 C ASP A 51 -1.166 1.439 8.905 1.00 0.00 C ATOM 442 O ASP A 51 -0.095 2.017 9.099 1.00 0.00 O ATOM 443 CB ASP A 51 -2.126 0.016 10.726 1.00 0.00 C ATOM 444 CG ASP A 51 -0.705 -0.323 11.127 1.00 0.00 C ATOM 445 OD1 ASP A 51 0.005 0.579 11.617 1.00 0.00 O ATOM 446 OD2 ASP A 51 -0.300 -1.492 10.951 1.00 0.00 O ATOM 0 H ASP A 51 -4.225 0.814 9.705 1.00 0.00 H new ATOM 0 HA ASP A 51 -2.039 2.163 10.718 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -2.756 0.038 11.615 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -2.515 -0.770 10.079 1.00 0.00 H new ATOM 450 N LEU A 52 -1.473 0.855 7.751 1.00 0.00 N ATOM 451 CA LEU A 52 -0.550 0.859 6.623 1.00 0.00 C ATOM 452 C LEU A 52 -0.227 2.285 6.188 1.00 0.00 C ATOM 453 O LEU A 52 0.928 2.618 5.925 1.00 0.00 O ATOM 454 CB LEU A 52 -1.144 0.077 5.450 1.00 0.00 C ATOM 455 CG LEU A 52 -0.257 -0.054 4.212 1.00 0.00 C ATOM 456 CD1 LEU A 52 1.066 -0.712 4.572 1.00 0.00 C ATOM 457 CD2 LEU A 52 -0.971 -0.845 3.126 1.00 0.00 C ATOM 0 H LEU A 52 -2.354 0.373 7.573 1.00 0.00 H new ATOM 0 HA LEU A 52 0.375 0.378 6.941 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -1.397 -0.924 5.798 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -2.077 0.557 5.155 1.00 0.00 H new ATOM 0 HG LEU A 52 -0.050 0.945 3.828 1.00 0.00 H new ATOM 0 HD11 LEU A 52 1.685 -0.797 3.679 1.00 0.00 H new ATOM 0 HD12 LEU A 52 1.583 -0.106 5.316 1.00 0.00 H new ATOM 0 HD13 LEU A 52 0.879 -1.705 4.980 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -0.325 -0.928 2.252 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -1.208 -1.842 3.498 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -1.892 -0.332 2.849 1.00 0.00 H new ATOM 468 N CYS A 53 -1.257 3.122 6.115 1.00 0.00 N ATOM 469 CA CYS A 53 -1.084 4.513 5.713 1.00 0.00 C ATOM 470 C CYS A 53 -0.258 5.279 6.744 1.00 0.00 C ATOM 471 O CYS A 53 0.713 5.953 6.403 1.00 0.00 O ATOM 472 CB CYS A 53 -2.445 5.187 5.531 1.00 0.00 C ATOM 473 SG CYS A 53 -3.425 4.521 4.147 1.00 0.00 S ATOM 0 H CYS A 53 -2.220 2.861 6.329 1.00 0.00 H new ATOM 0 HA CYS A 53 -0.550 4.526 4.763 1.00 0.00 H new ATOM 0 HB2 CYS A 53 -3.018 5.080 6.452 1.00 0.00 H new ATOM 0 HB3 CYS A 53 -2.292 6.255 5.373 1.00 0.00 H new ATOM 477 N LYS A 54 -0.653 5.170 8.008 1.00 0.00 N ATOM 478 CA LYS A 54 0.048 5.850 9.092 1.00 0.00 C ATOM 479 C LYS A 54 1.530 5.491 9.087 1.00 0.00 C ATOM 480 O LYS A 54 2.388 6.354 9.280 1.00 0.00 O ATOM 481 CB LYS A 54 -0.573 5.479 10.440 1.00 0.00 C ATOM 482 CG LYS A 54 0.115 6.132 11.626 1.00 0.00 C ATOM 483 CD LYS A 54 -0.317 5.501 12.939 1.00 0.00 C ATOM 484 CE LYS A 54 -1.644 6.069 13.419 1.00 0.00 C ATOM 485 NZ LYS A 54 -2.801 5.284 12.906 1.00 0.00 N ATOM 0 H LYS A 54 -1.456 4.617 8.308 1.00 0.00 H new ATOM 0 HA LYS A 54 -0.049 6.925 8.938 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -1.625 5.766 10.437 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -0.538 4.396 10.561 1.00 0.00 H new ATOM 0 HG2 LYS A 54 1.196 6.041 11.516 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -0.116 7.197 11.640 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -0.406 4.422 12.814 1.00 0.00 H new ATOM 0 HD3 LYS A 54 0.449 5.672 13.696 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -1.664 6.075 14.509 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -1.735 7.105 13.093 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -3.512 5.932 12.511 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -2.476 4.632 12.163 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -3.223 4.739 13.685 1.00 0.00 H new ATOM 495 N ALA A 55 1.827 4.216 8.864 1.00 0.00 N ATOM 496 CA ALA A 55 3.206 3.745 8.831 1.00 0.00 C ATOM 497 C ALA A 55 3.929 4.251 7.588 1.00 0.00 C ATOM 498 O ALA A 55 5.154 4.383 7.581 1.00 0.00 O ATOM 499 CB ALA A 55 3.247 2.225 8.886 1.00 0.00 C ATOM 0 H ALA A 55 1.130 3.489 8.703 1.00 0.00 H new ATOM 0 HA ALA A 55 3.720 4.143 9.706 1.00 0.00 H new ATOM 0 HB1 ALA A 55 4.283 1.888 8.861 1.00 0.00 H new ATOM 0 HB2 ALA A 55 2.776 1.881 9.807 1.00 0.00 H new ATOM 0 HB3 ALA A 55 2.711 1.815 8.030 1.00 0.00 H new ATOM 505 N PHE A 56 3.165 4.534 6.538 1.00 0.00 N ATOM 506 CA PHE A 56 3.734 5.025 5.288 1.00 0.00 C ATOM 507 C PHE A 56 3.699 6.550 5.237 1.00 0.00 C ATOM 508 O PHE A 56 3.649 7.145 4.162 1.00 0.00 O ATOM 509 CB PHE A 56 2.971 4.447 4.096 1.00 0.00 C ATOM 510 CG PHE A 56 3.864 3.971 2.986 1.00 0.00 C ATOM 511 CD1 PHE A 56 4.941 4.738 2.569 1.00 0.00 C ATOM 512 CD2 PHE A 56 3.630 2.758 2.360 1.00 0.00 C ATOM 513 CE1 PHE A 56 5.764 4.303 1.547 1.00 0.00 C ATOM 514 CE2 PHE A 56 4.451 2.318 1.338 1.00 0.00 C ATOM 515 CZ PHE A 56 5.519 3.092 0.932 1.00 0.00 C ATOM 0 H PHE A 56 2.150 4.432 6.528 1.00 0.00 H new ATOM 0 HA PHE A 56 4.773 4.701 5.238 1.00 0.00 H new ATOM 0 HB2 PHE A 56 2.355 3.615 4.438 1.00 0.00 H new ATOM 0 HB3 PHE A 56 2.293 5.206 3.706 1.00 0.00 H new ATOM 0 HD1 PHE A 56 5.139 5.686 3.048 1.00 0.00 H new ATOM 0 HD2 PHE A 56 2.796 2.148 2.674 1.00 0.00 H new ATOM 0 HE1 PHE A 56 6.599 4.911 1.230 1.00 0.00 H new ATOM 0 HE2 PHE A 56 4.257 1.370 0.858 1.00 0.00 H new ATOM 0 HZ PHE A 56 6.162 2.751 0.134 1.00 0.00 H new ATOM 524 N ASN A 57 3.728 7.175 6.409 1.00 0.00 N ATOM 525 CA ASN A 57 3.700 8.631 6.499 1.00 0.00 C ATOM 526 C ASN A 57 2.498 9.199 5.751 1.00 0.00 C ATOM 527 O ASN A 57 2.629 10.143 4.973 1.00 0.00 O ATOM 528 CB ASN A 57 4.994 9.223 5.935 1.00 0.00 C ATOM 529 CG ASN A 57 5.091 10.719 6.160 1.00 0.00 C ATOM 530 OD1 ASN A 57 5.219 11.494 5.212 1.00 0.00 O ATOM 531 ND2 ASN A 57 5.031 11.132 7.421 1.00 0.00 N ATOM 0 H ASN A 57 3.771 6.697 7.309 1.00 0.00 H new ATOM 0 HA ASN A 57 3.612 8.904 7.551 1.00 0.00 H new ATOM 0 HB2 ASN A 57 5.848 8.732 6.401 1.00 0.00 H new ATOM 0 HB3 ASN A 57 5.050 9.015 4.867 1.00 0.00 H new ATOM 0 HD21 ASN A 57 5.091 12.127 7.635 1.00 0.00 H new ATOM 0 HD22 ASN A 57 4.924 10.454 8.175 1.00 0.00 H new ATOM 537 N SER A 58 1.328 8.618 5.994 1.00 0.00 N ATOM 538 CA SER A 58 0.103 9.063 5.341 1.00 0.00 C ATOM 539 C SER A 58 -1.121 8.705 6.179 1.00 0.00 C ATOM 540 O SER A 58 -1.029 7.935 7.136 1.00 0.00 O ATOM 541 CB SER A 58 -0.016 8.436 3.951 1.00 0.00 C ATOM 542 OG SER A 58 1.181 8.603 3.212 1.00 0.00 O ATOM 0 H SER A 58 1.203 7.838 6.639 1.00 0.00 H new ATOM 0 HA SER A 58 0.148 10.147 5.240 1.00 0.00 H new ATOM 0 HB2 SER A 58 -0.243 7.374 4.046 1.00 0.00 H new ATOM 0 HB3 SER A 58 -0.846 8.893 3.412 1.00 0.00 H new ATOM 0 HG SER A 58 1.009 8.418 2.265 1.00 0.00 H new ATOM 547 N THR A 59 -2.267 9.270 5.813 1.00 0.00 N ATOM 548 CA THR A 59 -3.510 9.013 6.531 1.00 0.00 C ATOM 549 C THR A 59 -4.567 8.423 5.606 1.00 0.00 C ATOM 550 O THR A 59 -4.340 8.270 4.404 1.00 0.00 O ATOM 551 CB THR A 59 -4.064 10.299 7.173 1.00 0.00 C ATOM 552 OG1 THR A 59 -3.837 11.417 6.306 1.00 0.00 O ATOM 553 CG2 THR A 59 -3.412 10.557 8.522 1.00 0.00 C ATOM 0 H THR A 59 -2.361 9.909 5.023 1.00 0.00 H new ATOM 0 HA THR A 59 -3.278 8.295 7.317 1.00 0.00 H new ATOM 0 HB THR A 59 -5.135 10.169 7.325 1.00 0.00 H new ATOM 0 HG1 THR A 59 -4.194 12.230 6.721 1.00 0.00 H new ATOM 0 HG21 THR A 59 -3.820 11.470 8.955 1.00 0.00 H new ATOM 0 HG22 THR A 59 -3.612 9.719 9.189 1.00 0.00 H new ATOM 0 HG23 THR A 59 -2.336 10.667 8.391 1.00 0.00 H new ATOM 561 N LEU A 60 -5.723 8.093 6.170 1.00 0.00 N ATOM 562 CA LEU A 60 -6.817 7.519 5.395 1.00 0.00 C ATOM 563 C LEU A 60 -7.372 8.536 4.402 1.00 0.00 C ATOM 564 O LEU A 60 -7.593 9.702 4.730 1.00 0.00 O ATOM 565 CB LEU A 60 -7.931 7.038 6.326 1.00 0.00 C ATOM 566 CG LEU A 60 -7.836 5.583 6.789 1.00 0.00 C ATOM 567 CD1 LEU A 60 -8.913 5.279 7.819 1.00 0.00 C ATOM 568 CD2 LEU A 60 -7.946 4.637 5.604 1.00 0.00 C ATOM 0 H LEU A 60 -5.927 8.213 7.162 1.00 0.00 H new ATOM 0 HA LEU A 60 -6.427 6.668 4.837 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -7.943 7.679 7.207 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -8.886 7.176 5.819 1.00 0.00 H new ATOM 0 HG LEU A 60 -6.863 5.434 7.257 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -8.830 4.240 8.137 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -8.787 5.933 8.682 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -9.896 5.446 7.378 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -7.876 3.607 5.953 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -8.904 4.787 5.106 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -7.137 4.838 4.902 1.00 0.00 H new ATOM 579 N PRO A 61 -7.608 8.085 3.162 1.00 0.00 N ATOM 580 CA PRO A 61 -8.144 8.938 2.097 1.00 0.00 C ATOM 581 C PRO A 61 -9.600 9.322 2.340 1.00 0.00 C ATOM 582 O PRO A 61 -10.283 8.718 3.167 1.00 0.00 O ATOM 583 CB PRO A 61 -8.021 8.065 0.847 1.00 0.00 C ATOM 584 CG PRO A 61 -8.043 6.665 1.358 1.00 0.00 C ATOM 585 CD PRO A 61 -7.369 6.706 2.702 1.00 0.00 C ATOM 0 HA PRO A 61 -7.609 9.885 2.025 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -8.843 8.247 0.155 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -7.098 8.275 0.307 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -9.065 6.297 1.445 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -7.519 5.993 0.679 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -7.796 5.974 3.388 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -6.304 6.487 2.624 1.00 0.00 H new ATOM 590 N THR A 62 -10.070 10.330 1.611 1.00 0.00 N ATOM 591 CA THR A 62 -11.446 10.794 1.748 1.00 0.00 C ATOM 592 C THR A 62 -12.178 10.746 0.411 1.00 0.00 C ATOM 593 O THR A 62 -11.552 10.725 -0.649 1.00 0.00 O ATOM 594 CB THR A 62 -11.501 12.231 2.300 1.00 0.00 C ATOM 595 OG1 THR A 62 -10.288 12.923 1.985 1.00 0.00 O ATOM 596 CG2 THR A 62 -11.713 12.225 3.804 1.00 0.00 C ATOM 0 H THR A 62 -9.519 10.840 0.921 1.00 0.00 H new ATOM 0 HA THR A 62 -11.938 10.123 2.452 1.00 0.00 H new ATOM 0 HB THR A 62 -12.342 12.744 1.834 1.00 0.00 H new ATOM 0 HG1 THR A 62 -10.331 13.836 2.338 1.00 0.00 H new ATOM 0 HG21 THR A 62 -11.748 13.251 4.171 1.00 0.00 H new ATOM 0 HG22 THR A 62 -12.652 11.724 4.037 1.00 0.00 H new ATOM 0 HG23 THR A 62 -10.890 11.696 4.285 1.00 0.00 H new ATOM 604 N MET A 63 -13.504 10.729 0.469 1.00 0.00 N ATOM 605 CA MET A 63 -14.322 10.685 -0.739 1.00 0.00 C ATOM 606 C MET A 63 -13.903 11.779 -1.717 1.00 0.00 C ATOM 607 O MET A 63 -13.822 11.547 -2.922 1.00 0.00 O ATOM 608 CB MET A 63 -15.801 10.838 -0.385 1.00 0.00 C ATOM 609 CG MET A 63 -16.086 12.002 0.552 1.00 0.00 C ATOM 610 SD MET A 63 -17.838 12.173 0.936 1.00 0.00 S ATOM 611 CE MET A 63 -18.216 10.526 1.531 1.00 0.00 C ATOM 0 H MET A 63 -14.037 10.745 1.339 1.00 0.00 H new ATOM 0 HA MET A 63 -14.170 9.717 -1.217 1.00 0.00 H new ATOM 0 HB2 MET A 63 -16.374 10.973 -1.303 1.00 0.00 H new ATOM 0 HB3 MET A 63 -16.153 9.916 0.078 1.00 0.00 H new ATOM 0 HG2 MET A 63 -15.527 11.863 1.478 1.00 0.00 H new ATOM 0 HG3 MET A 63 -15.726 12.925 0.098 1.00 0.00 H new ATOM 0 HE1 MET A 63 -19.118 10.558 2.142 1.00 0.00 H new ATOM 0 HE2 MET A 63 -18.375 9.860 0.683 1.00 0.00 H new ATOM 0 HE3 MET A 63 -17.385 10.156 2.131 1.00 0.00 H new ATOM 619 N ALA A 64 -13.642 12.970 -1.189 1.00 0.00 N ATOM 620 CA ALA A 64 -13.233 14.098 -2.016 1.00 0.00 C ATOM 621 C ALA A 64 -11.914 13.809 -2.725 1.00 0.00 C ATOM 622 O ALA A 64 -11.818 13.926 -3.947 1.00 0.00 O ATOM 623 CB ALA A 64 -13.112 15.357 -1.169 1.00 0.00 C ATOM 0 H ALA A 64 -13.707 13.179 -0.193 1.00 0.00 H new ATOM 0 HA ALA A 64 -13.998 14.255 -2.776 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -12.806 16.192 -1.800 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -14.076 15.582 -0.712 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -12.368 15.200 -0.388 1.00 0.00 H new ATOM 629 N GLN A 65 -10.902 13.432 -1.951 1.00 0.00 N ATOM 630 CA GLN A 65 -9.588 13.126 -2.507 1.00 0.00 C ATOM 631 C GLN A 65 -9.701 12.129 -3.656 1.00 0.00 C ATOM 632 O GLN A 65 -9.010 12.250 -4.667 1.00 0.00 O ATOM 633 CB GLN A 65 -8.668 12.569 -1.421 1.00 0.00 C ATOM 634 CG GLN A 65 -8.327 13.577 -0.335 1.00 0.00 C ATOM 635 CD GLN A 65 -7.658 14.822 -0.886 1.00 0.00 C ATOM 636 OE1 GLN A 65 -8.004 15.943 -0.512 1.00 0.00 O ATOM 637 NE2 GLN A 65 -6.694 14.631 -1.778 1.00 0.00 N ATOM 0 H GLN A 65 -10.966 13.331 -0.938 1.00 0.00 H new ATOM 0 HA GLN A 65 -9.161 14.051 -2.894 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -9.144 11.702 -0.963 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -7.745 12.219 -1.883 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -9.238 13.861 0.191 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -7.669 13.109 0.397 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -6.440 13.684 -2.059 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -6.207 15.431 -2.182 1.00 0.00 H new ATOM 644 N MET A 66 -10.578 11.143 -3.492 1.00 0.00 N ATOM 645 CA MET A 66 -10.781 10.124 -4.516 1.00 0.00 C ATOM 646 C MET A 66 -11.258 10.754 -5.821 1.00 0.00 C ATOM 647 O MET A 66 -10.688 10.507 -6.884 1.00 0.00 O ATOM 648 CB MET A 66 -11.795 9.085 -4.036 1.00 0.00 C ATOM 649 CG MET A 66 -11.337 8.307 -2.814 1.00 0.00 C ATOM 650 SD MET A 66 -10.006 7.148 -3.187 1.00 0.00 S ATOM 651 CE MET A 66 -10.816 6.067 -4.362 1.00 0.00 C ATOM 0 H MET A 66 -11.158 11.028 -2.661 1.00 0.00 H new ATOM 0 HA MET A 66 -9.826 9.631 -4.699 1.00 0.00 H new ATOM 0 HB2 MET A 66 -12.735 9.586 -3.806 1.00 0.00 H new ATOM 0 HB3 MET A 66 -11.997 8.385 -4.847 1.00 0.00 H new ATOM 0 HG2 MET A 66 -11.001 9.006 -2.048 1.00 0.00 H new ATOM 0 HG3 MET A 66 -12.183 7.761 -2.398 1.00 0.00 H new ATOM 0 HE1 MET A 66 -10.850 5.054 -3.961 1.00 0.00 H new ATOM 0 HE2 MET A 66 -11.831 6.421 -4.542 1.00 0.00 H new ATOM 0 HE3 MET A 66 -10.260 6.067 -5.300 1.00 0.00 H new ATOM 659 N GLU A 67 -12.305 11.567 -5.733 1.00 0.00 N ATOM 660 CA GLU A 67 -12.857 12.230 -6.908 1.00 0.00 C ATOM 661 C GLU A 67 -11.833 13.173 -7.533 1.00 0.00 C ATOM 662 O GLU A 67 -11.841 13.402 -8.743 1.00 0.00 O ATOM 663 CB GLU A 67 -14.122 13.008 -6.536 1.00 0.00 C ATOM 664 CG GLU A 67 -15.159 12.169 -5.806 1.00 0.00 C ATOM 665 CD GLU A 67 -16.580 12.575 -6.148 1.00 0.00 C ATOM 666 OE1 GLU A 67 -16.895 12.675 -7.352 1.00 0.00 O ATOM 667 OE2 GLU A 67 -17.376 12.789 -5.211 1.00 0.00 O ATOM 0 H GLU A 67 -12.788 11.782 -4.861 1.00 0.00 H new ATOM 0 HA GLU A 67 -13.112 11.463 -7.639 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -13.846 13.856 -5.909 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -14.569 13.414 -7.443 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -15.014 11.118 -6.058 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -15.006 12.263 -4.731 1.00 0.00 H new ATOM 672 N LYS A 68 -10.953 13.717 -6.699 1.00 0.00 N ATOM 673 CA LYS A 68 -9.922 14.635 -7.168 1.00 0.00 C ATOM 674 C LYS A 68 -8.870 13.897 -7.991 1.00 0.00 C ATOM 675 O LYS A 68 -8.707 14.154 -9.182 1.00 0.00 O ATOM 676 CB LYS A 68 -9.257 15.336 -5.982 1.00 0.00 C ATOM 677 CG LYS A 68 -8.409 16.532 -6.379 1.00 0.00 C ATOM 678 CD LYS A 68 -7.247 16.735 -5.421 1.00 0.00 C ATOM 679 CE LYS A 68 -7.651 17.583 -4.226 1.00 0.00 C ATOM 680 NZ LYS A 68 -8.569 16.851 -3.310 1.00 0.00 N ATOM 0 H LYS A 68 -10.933 13.538 -5.695 1.00 0.00 H new ATOM 0 HA LYS A 68 -10.397 15.382 -7.804 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -10.029 15.664 -5.285 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -8.632 14.618 -5.451 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -8.027 16.389 -7.390 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -9.028 17.429 -6.396 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -6.886 15.766 -5.075 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -6.421 17.215 -5.946 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -6.759 17.887 -3.679 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -8.137 18.494 -4.575 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -8.275 17.008 -2.325 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -9.540 17.199 -3.441 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -8.534 15.834 -3.524 1.00 0.00 H new ATOM 690 N ALA A 69 -8.160 12.976 -7.346 1.00 0.00 N ATOM 691 CA ALA A 69 -7.127 12.199 -8.019 1.00 0.00 C ATOM 692 C ALA A 69 -7.710 11.400 -9.178 1.00 0.00 C ATOM 693 O ALA A 69 -6.990 11.004 -10.097 1.00 0.00 O ATOM 694 CB ALA A 69 -6.436 11.272 -7.030 1.00 0.00 C ATOM 0 H ALA A 69 -8.282 12.750 -6.359 1.00 0.00 H new ATOM 0 HA ALA A 69 -6.391 12.893 -8.425 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -5.667 10.698 -7.546 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -5.977 11.863 -6.237 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -7.168 10.591 -6.597 1.00 0.00 H new ATOM 700 N LEU A 70 -9.016 11.162 -9.130 1.00 0.00 N ATOM 701 CA LEU A 70 -9.696 10.409 -10.178 1.00 0.00 C ATOM 702 C LEU A 70 -9.316 10.931 -11.559 1.00 0.00 C ATOM 703 O LEU A 70 -8.755 10.202 -12.377 1.00 0.00 O ATOM 704 CB LEU A 70 -11.212 10.489 -9.989 1.00 0.00 C ATOM 705 CG LEU A 70 -12.058 9.733 -11.015 1.00 0.00 C ATOM 706 CD1 LEU A 70 -13.373 9.288 -10.397 1.00 0.00 C ATOM 707 CD2 LEU A 70 -12.308 10.599 -12.241 1.00 0.00 C ATOM 0 H LEU A 70 -9.625 11.480 -8.376 1.00 0.00 H new ATOM 0 HA LEU A 70 -9.381 9.368 -10.105 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -11.455 10.109 -8.997 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -11.505 11.539 -10.009 1.00 0.00 H new ATOM 0 HG LEU A 70 -11.509 8.845 -11.328 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -13.962 8.752 -11.141 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -13.173 8.631 -9.550 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -13.928 10.161 -10.055 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -12.911 10.045 -12.961 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -12.837 11.505 -11.945 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -11.355 10.868 -12.697 1.00 0.00 H new ATOM 718 N SER A 71 -9.623 12.199 -11.813 1.00 0.00 N ATOM 719 CA SER A 71 -9.315 12.820 -13.095 1.00 0.00 C ATOM 720 C SER A 71 -7.809 12.994 -13.267 1.00 0.00 C ATOM 721 O SER A 71 -7.327 13.297 -14.359 1.00 0.00 O ATOM 722 CB SER A 71 -10.014 14.176 -13.212 1.00 0.00 C ATOM 723 OG SER A 71 -9.781 14.762 -14.481 1.00 0.00 O ATOM 0 H SER A 71 -10.086 12.817 -11.146 1.00 0.00 H new ATOM 0 HA SER A 71 -9.680 12.163 -13.885 1.00 0.00 H new ATOM 0 HB2 SER A 71 -11.086 14.051 -13.057 1.00 0.00 H new ATOM 0 HB3 SER A 71 -9.654 14.843 -12.428 1.00 0.00 H new ATOM 0 HG SER A 71 -8.951 14.403 -14.860 1.00 0.00 H new ATOM 728 N ILE A 72 -7.070 12.802 -12.179 1.00 0.00 N ATOM 729 CA ILE A 72 -5.619 12.937 -12.209 1.00 0.00 C ATOM 730 C ILE A 72 -4.955 11.638 -12.653 1.00 0.00 C ATOM 731 O ILE A 72 -3.820 11.639 -13.126 1.00 0.00 O ATOM 732 CB ILE A 72 -5.063 13.338 -10.829 1.00 0.00 C ATOM 733 CG1 ILE A 72 -5.682 14.661 -10.372 1.00 0.00 C ATOM 734 CG2 ILE A 72 -3.546 13.447 -10.881 1.00 0.00 C ATOM 735 CD1 ILE A 72 -5.202 15.113 -9.009 1.00 0.00 C ATOM 0 H ILE A 72 -7.452 12.553 -11.267 1.00 0.00 H new ATOM 0 HA ILE A 72 -5.390 13.724 -12.928 1.00 0.00 H new ATOM 0 HB ILE A 72 -5.328 12.565 -10.107 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -5.450 15.434 -11.105 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -6.767 14.557 -10.350 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -3.168 13.731 -9.899 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -3.122 12.485 -11.169 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -3.260 14.203 -11.612 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -5.681 16.057 -8.749 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -5.458 14.359 -8.265 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -4.121 15.249 -9.031 1.00 0.00 H new ATOM 746 N GLY A 73 -5.673 10.529 -12.499 1.00 0.00 N ATOM 747 CA GLY A 73 -5.138 9.238 -12.890 1.00 0.00 C ATOM 748 C GLY A 73 -5.348 8.178 -11.829 1.00 0.00 C ATOM 749 O GLY A 73 -4.501 7.305 -11.637 1.00 0.00 O ATOM 0 H GLY A 73 -6.616 10.502 -12.110 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -5.612 8.918 -13.818 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -4.072 9.337 -13.094 1.00 0.00 H new ATOM 753 N PHE A 74 -6.479 8.253 -11.134 1.00 0.00 N ATOM 754 CA PHE A 74 -6.795 7.292 -10.084 1.00 0.00 C ATOM 755 C PHE A 74 -7.877 6.318 -10.545 1.00 0.00 C ATOM 756 O PHE A 74 -8.838 6.055 -9.823 1.00 0.00 O ATOM 757 CB PHE A 74 -7.258 8.021 -8.819 1.00 0.00 C ATOM 758 CG PHE A 74 -6.871 7.320 -7.549 1.00 0.00 C ATOM 759 CD1 PHE A 74 -5.542 7.220 -7.174 1.00 0.00 C ATOM 760 CD2 PHE A 74 -7.838 6.761 -6.730 1.00 0.00 C ATOM 761 CE1 PHE A 74 -5.183 6.576 -6.005 1.00 0.00 C ATOM 762 CE2 PHE A 74 -7.486 6.115 -5.560 1.00 0.00 C ATOM 763 CZ PHE A 74 -6.156 6.022 -5.197 1.00 0.00 C ATOM 0 H PHE A 74 -7.191 8.969 -11.279 1.00 0.00 H new ATOM 0 HA PHE A 74 -5.891 6.726 -9.861 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -6.836 9.026 -8.813 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -8.342 8.131 -8.848 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -4.777 7.650 -7.803 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -8.879 6.831 -7.009 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -4.143 6.506 -5.724 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -8.250 5.683 -4.930 1.00 0.00 H new ATOM 0 HZ PHE A 74 -5.878 5.517 -4.284 1.00 0.00 H new ATOM 772 N GLU A 75 -7.709 5.788 -11.752 1.00 0.00 N ATOM 773 CA GLU A 75 -8.669 4.844 -12.310 1.00 0.00 C ATOM 774 C GLU A 75 -8.229 3.404 -12.057 1.00 0.00 C ATOM 775 O GLU A 75 -7.074 3.045 -12.287 1.00 0.00 O ATOM 776 CB GLU A 75 -8.836 5.079 -13.812 1.00 0.00 C ATOM 777 CG GLU A 75 -7.522 5.103 -14.574 1.00 0.00 C ATOM 778 CD GLU A 75 -7.708 4.895 -16.065 1.00 0.00 C ATOM 779 OE1 GLU A 75 -8.022 3.757 -16.471 1.00 0.00 O ATOM 780 OE2 GLU A 75 -7.541 5.872 -16.825 1.00 0.00 O ATOM 0 H GLU A 75 -6.918 5.996 -12.361 1.00 0.00 H new ATOM 0 HA GLU A 75 -9.626 5.006 -11.815 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -9.472 4.296 -14.225 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -9.354 6.025 -13.968 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -7.025 6.058 -14.403 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -6.865 4.327 -14.182 1.00 0.00 H new ATOM 785 N THR A 76 -9.159 2.583 -11.578 1.00 0.00 N ATOM 786 CA THR A 76 -8.869 1.184 -11.291 1.00 0.00 C ATOM 787 C THR A 76 -10.151 0.371 -11.156 1.00 0.00 C ATOM 788 O THR A 76 -11.155 0.859 -10.635 1.00 0.00 O ATOM 789 CB THR A 76 -8.043 1.036 -9.999 1.00 0.00 C ATOM 790 OG1 THR A 76 -8.019 -0.335 -9.587 1.00 0.00 O ATOM 791 CG2 THR A 76 -8.621 1.896 -8.885 1.00 0.00 C ATOM 0 H THR A 76 -10.120 2.863 -11.381 1.00 0.00 H new ATOM 0 HA THR A 76 -8.289 0.804 -12.132 1.00 0.00 H new ATOM 0 HB THR A 76 -7.026 1.371 -10.204 1.00 0.00 H new ATOM 0 HG1 THR A 76 -7.491 -0.421 -8.766 1.00 0.00 H new ATOM 0 HG21 THR A 76 -8.021 1.775 -7.983 1.00 0.00 H new ATOM 0 HG22 THR A 76 -8.610 2.942 -9.190 1.00 0.00 H new ATOM 0 HG23 THR A 76 -9.647 1.588 -8.682 1.00 0.00 H new ATOM 799 N CYS A 77 -10.111 -0.870 -11.628 1.00 0.00 N ATOM 800 CA CYS A 77 -11.272 -1.751 -11.561 1.00 0.00 C ATOM 801 C CYS A 77 -11.203 -2.647 -10.328 1.00 0.00 C ATOM 802 O CYS A 77 -11.650 -3.794 -10.356 1.00 0.00 O ATOM 803 CB CYS A 77 -11.360 -2.609 -12.824 1.00 0.00 C ATOM 804 SG CYS A 77 -12.132 -1.766 -14.243 1.00 0.00 S ATOM 0 H CYS A 77 -9.288 -1.289 -12.061 1.00 0.00 H new ATOM 0 HA CYS A 77 -12.165 -1.130 -11.488 1.00 0.00 H new ATOM 0 HB2 CYS A 77 -10.356 -2.926 -13.106 1.00 0.00 H new ATOM 0 HB3 CYS A 77 -11.928 -3.512 -12.598 1.00 0.00 H new ATOM 808 N ARG A 78 -10.641 -2.115 -9.247 1.00 0.00 N ATOM 809 CA ARG A 78 -10.512 -2.867 -8.005 1.00 0.00 C ATOM 810 C ARG A 78 -10.999 -2.040 -6.816 1.00 0.00 C ATOM 811 O ARG A 78 -10.476 -0.959 -6.544 1.00 0.00 O ATOM 812 CB ARG A 78 -9.058 -3.286 -7.785 1.00 0.00 C ATOM 813 CG ARG A 78 -8.440 -3.991 -8.982 1.00 0.00 C ATOM 814 CD ARG A 78 -9.028 -5.380 -9.175 1.00 0.00 C ATOM 815 NE ARG A 78 -8.394 -6.094 -10.279 1.00 0.00 N ATOM 816 CZ ARG A 78 -8.764 -7.306 -10.680 1.00 0.00 C ATOM 817 NH1 ARG A 78 -9.759 -7.934 -10.068 1.00 0.00 N ATOM 818 NH2 ARG A 78 -8.138 -7.890 -11.693 1.00 0.00 N ATOM 0 H ARG A 78 -10.268 -1.166 -9.207 1.00 0.00 H new ATOM 0 HA ARG A 78 -11.132 -3.760 -8.085 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -8.466 -2.402 -7.549 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -9.006 -3.945 -6.919 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -8.605 -3.397 -9.881 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -7.361 -4.067 -8.844 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -8.910 -5.955 -8.256 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -10.098 -5.297 -9.364 1.00 0.00 H new ATOM 0 HE ARG A 78 -7.625 -5.638 -10.770 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -10.241 -7.487 -9.288 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -10.042 -8.864 -10.377 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -7.372 -7.409 -12.165 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -8.422 -8.820 -12.000 1.00 0.00 H new ATOM 829 N TYR A 79 -12.002 -2.557 -6.117 1.00 0.00 N ATOM 830 CA TYR A 79 -12.562 -1.866 -4.960 1.00 0.00 C ATOM 831 C TYR A 79 -11.464 -1.465 -3.981 1.00 0.00 C ATOM 832 O TYR A 79 -10.466 -2.168 -3.827 1.00 0.00 O ATOM 833 CB TYR A 79 -13.588 -2.755 -4.257 1.00 0.00 C ATOM 834 CG TYR A 79 -14.630 -3.332 -5.189 1.00 0.00 C ATOM 835 CD1 TYR A 79 -15.238 -2.542 -6.157 1.00 0.00 C ATOM 836 CD2 TYR A 79 -15.008 -4.666 -5.101 1.00 0.00 C ATOM 837 CE1 TYR A 79 -16.191 -3.065 -7.011 1.00 0.00 C ATOM 838 CE2 TYR A 79 -15.959 -5.197 -5.950 1.00 0.00 C ATOM 839 CZ TYR A 79 -16.547 -4.393 -6.903 1.00 0.00 C ATOM 840 OH TYR A 79 -17.495 -4.918 -7.750 1.00 0.00 O ATOM 0 H TYR A 79 -12.444 -3.451 -6.330 1.00 0.00 H new ATOM 0 HA TYR A 79 -13.056 -0.961 -5.313 1.00 0.00 H new ATOM 0 HB2 TYR A 79 -13.067 -3.572 -3.758 1.00 0.00 H new ATOM 0 HB3 TYR A 79 -14.088 -2.175 -3.481 1.00 0.00 H new ATOM 0 HD1 TYR A 79 -14.961 -1.502 -6.244 1.00 0.00 H new ATOM 0 HD2 TYR A 79 -14.550 -5.299 -4.355 1.00 0.00 H new ATOM 0 HE1 TYR A 79 -16.654 -2.437 -7.758 1.00 0.00 H new ATOM 0 HE2 TYR A 79 -16.241 -6.236 -5.868 1.00 0.00 H new ATOM 0 HH TYR A 79 -17.630 -5.866 -7.543 1.00 0.00 H new ATOM 849 N GLY A 80 -11.656 -0.328 -3.318 1.00 0.00 N ATOM 850 CA GLY A 80 -10.675 0.148 -2.362 1.00 0.00 C ATOM 851 C GLY A 80 -11.294 0.504 -1.025 1.00 0.00 C ATOM 852 O GLY A 80 -12.516 0.490 -0.875 1.00 0.00 O ATOM 0 H GLY A 80 -12.474 0.271 -3.427 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -9.914 -0.619 -2.214 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -10.170 1.024 -2.770 1.00 0.00 H new ATOM 856 N PHE A 81 -10.450 0.825 -0.050 1.00 0.00 N ATOM 857 CA PHE A 81 -10.922 1.183 1.283 1.00 0.00 C ATOM 858 C PHE A 81 -10.503 2.606 1.643 1.00 0.00 C ATOM 859 O PHE A 81 -9.317 2.935 1.637 1.00 0.00 O ATOM 860 CB PHE A 81 -10.376 0.201 2.321 1.00 0.00 C ATOM 861 CG PHE A 81 -10.809 -1.219 2.089 1.00 0.00 C ATOM 862 CD1 PHE A 81 -12.134 -1.517 1.813 1.00 0.00 C ATOM 863 CD2 PHE A 81 -9.891 -2.255 2.146 1.00 0.00 C ATOM 864 CE1 PHE A 81 -12.534 -2.821 1.600 1.00 0.00 C ATOM 865 CE2 PHE A 81 -10.286 -3.562 1.934 1.00 0.00 C ATOM 866 CZ PHE A 81 -11.609 -3.846 1.659 1.00 0.00 C ATOM 0 H PHE A 81 -9.436 0.845 -0.158 1.00 0.00 H new ATOM 0 HA PHE A 81 -12.011 1.132 1.282 1.00 0.00 H new ATOM 0 HB2 PHE A 81 -9.287 0.246 2.314 1.00 0.00 H new ATOM 0 HB3 PHE A 81 -10.702 0.514 3.313 1.00 0.00 H new ATOM 0 HD1 PHE A 81 -12.862 -0.720 1.764 1.00 0.00 H new ATOM 0 HD2 PHE A 81 -8.855 -2.039 2.359 1.00 0.00 H new ATOM 0 HE1 PHE A 81 -13.570 -3.040 1.387 1.00 0.00 H new ATOM 0 HE2 PHE A 81 -9.561 -4.361 1.983 1.00 0.00 H new ATOM 0 HZ PHE A 81 -11.920 -4.866 1.490 1.00 0.00 H new ATOM 875 N ILE A 82 -11.486 3.444 1.954 1.00 0.00 N ATOM 876 CA ILE A 82 -11.221 4.831 2.318 1.00 0.00 C ATOM 877 C ILE A 82 -11.870 5.183 3.651 1.00 0.00 C ATOM 878 O ILE A 82 -12.614 4.386 4.221 1.00 0.00 O ATOM 879 CB ILE A 82 -11.732 5.802 1.237 1.00 0.00 C ATOM 880 CG1 ILE A 82 -13.239 5.634 1.039 1.00 0.00 C ATOM 881 CG2 ILE A 82 -10.991 5.576 -0.073 1.00 0.00 C ATOM 882 CD1 ILE A 82 -13.943 6.911 0.642 1.00 0.00 C ATOM 0 H ILE A 82 -12.473 3.187 1.961 1.00 0.00 H new ATOM 0 HA ILE A 82 -10.140 4.934 2.406 1.00 0.00 H new ATOM 0 HB ILE A 82 -11.540 6.823 1.568 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -13.414 4.879 0.273 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -13.679 5.259 1.963 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -11.364 6.270 -0.826 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -9.925 5.744 0.079 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -11.153 4.552 -0.411 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -15.008 6.716 0.519 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -13.799 7.662 1.418 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -13.530 7.277 -0.298 1.00 0.00 H new ATOM 893 N GLU A 83 -11.583 6.385 4.143 1.00 0.00 N ATOM 894 CA GLU A 83 -12.140 6.844 5.410 1.00 0.00 C ATOM 895 C GLU A 83 -13.665 6.795 5.383 1.00 0.00 C ATOM 896 O GLU A 83 -14.313 6.705 6.426 1.00 0.00 O ATOM 897 CB GLU A 83 -11.671 8.268 5.713 1.00 0.00 C ATOM 898 CG GLU A 83 -11.826 8.663 7.172 1.00 0.00 C ATOM 899 CD GLU A 83 -11.000 9.880 7.538 1.00 0.00 C ATOM 900 OE1 GLU A 83 -10.824 10.761 6.672 1.00 0.00 O ATOM 901 OE2 GLU A 83 -10.531 9.953 8.694 1.00 0.00 O ATOM 0 H GLU A 83 -10.969 7.057 3.684 1.00 0.00 H new ATOM 0 HA GLU A 83 -11.785 6.177 6.196 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -10.623 8.364 5.429 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -12.235 8.966 5.094 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -12.877 8.866 7.380 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -11.532 7.825 7.804 1.00 0.00 H new ATOM 906 N GLY A 84 -14.232 6.855 4.182 1.00 0.00 N ATOM 907 CA GLY A 84 -15.677 6.817 4.041 1.00 0.00 C ATOM 908 C GLY A 84 -16.202 5.411 3.833 1.00 0.00 C ATOM 909 O GLY A 84 -16.497 4.701 4.796 1.00 0.00 O ATOM 0 H GLY A 84 -13.717 6.929 3.304 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -16.137 7.245 4.931 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -15.973 7.441 3.198 1.00 0.00 H new ATOM 913 N HIS A 85 -16.321 5.006 2.573 1.00 0.00 N ATOM 914 CA HIS A 85 -16.816 3.673 2.242 1.00 0.00 C ATOM 915 C HIS A 85 -16.138 3.139 0.984 1.00 0.00 C ATOM 916 O HIS A 85 -15.467 3.881 0.266 1.00 0.00 O ATOM 917 CB HIS A 85 -18.332 3.703 2.045 1.00 0.00 C ATOM 918 CG HIS A 85 -19.078 4.247 3.224 1.00 0.00 C ATOM 919 ND1 HIS A 85 -19.287 3.524 4.380 1.00 0.00 N ATOM 920 CD2 HIS A 85 -19.666 5.450 3.422 1.00 0.00 C ATOM 921 CE1 HIS A 85 -19.971 4.260 5.238 1.00 0.00 C ATOM 922 NE2 HIS A 85 -20.215 5.433 4.681 1.00 0.00 N ATOM 0 H HIS A 85 -16.082 5.580 1.765 1.00 0.00 H new ATOM 0 HA HIS A 85 -16.578 3.008 3.072 1.00 0.00 H new ATOM 0 HB2 HIS A 85 -18.564 4.307 1.168 1.00 0.00 H new ATOM 0 HB3 HIS A 85 -18.683 2.692 1.838 1.00 0.00 H new ATOM 0 HD2 HIS A 85 -19.698 6.271 2.721 1.00 0.00 H new ATOM 0 HE1 HIS A 85 -20.279 3.955 6.227 1.00 0.00 H new ATOM 0 HE2 HIS A 85 -20.727 6.201 5.115 1.00 0.00 H new ATOM 929 N VAL A 86 -16.316 1.848 0.724 1.00 0.00 N ATOM 930 CA VAL A 86 -15.723 1.214 -0.447 1.00 0.00 C ATOM 931 C VAL A 86 -16.045 1.995 -1.717 1.00 0.00 C ATOM 932 O VAL A 86 -17.195 2.045 -2.153 1.00 0.00 O ATOM 933 CB VAL A 86 -16.214 -0.236 -0.611 1.00 0.00 C ATOM 934 CG1 VAL A 86 -15.615 -0.865 -1.859 1.00 0.00 C ATOM 935 CG2 VAL A 86 -15.874 -1.056 0.625 1.00 0.00 C ATOM 0 H VAL A 86 -16.867 1.220 1.309 1.00 0.00 H new ATOM 0 HA VAL A 86 -14.644 1.208 -0.291 1.00 0.00 H new ATOM 0 HB VAL A 86 -17.298 -0.224 -0.724 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -15.974 -1.890 -1.958 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -15.913 -0.290 -2.735 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -14.528 -0.867 -1.779 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -16.228 -2.078 0.492 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -14.794 -1.062 0.772 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -16.356 -0.616 1.498 1.00 0.00 H new ATOM 945 N VAL A 87 -15.020 2.603 -2.308 1.00 0.00 N ATOM 946 CA VAL A 87 -15.195 3.380 -3.529 1.00 0.00 C ATOM 947 C VAL A 87 -14.351 2.813 -4.665 1.00 0.00 C ATOM 948 O VAL A 87 -13.372 2.104 -4.431 1.00 0.00 O ATOM 949 CB VAL A 87 -14.817 4.857 -3.312 1.00 0.00 C ATOM 950 CG1 VAL A 87 -15.789 5.521 -2.349 1.00 0.00 C ATOM 951 CG2 VAL A 87 -13.388 4.974 -2.805 1.00 0.00 C ATOM 0 H VAL A 87 -14.061 2.572 -1.961 1.00 0.00 H new ATOM 0 HA VAL A 87 -16.250 3.318 -3.797 1.00 0.00 H new ATOM 0 HB VAL A 87 -14.881 5.374 -4.270 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -15.506 6.564 -2.208 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -16.798 5.471 -2.758 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -15.761 5.004 -1.390 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -13.139 6.025 -2.658 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -13.293 4.442 -1.858 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -12.706 4.539 -3.535 1.00 0.00 H new ATOM 961 N ILE A 88 -14.737 3.129 -5.896 1.00 0.00 N ATOM 962 CA ILE A 88 -14.015 2.653 -7.070 1.00 0.00 C ATOM 963 C ILE A 88 -14.154 3.628 -8.235 1.00 0.00 C ATOM 964 O ILE A 88 -14.994 3.462 -9.119 1.00 0.00 O ATOM 965 CB ILE A 88 -14.516 1.266 -7.513 1.00 0.00 C ATOM 966 CG1 ILE A 88 -13.851 0.857 -8.830 1.00 0.00 C ATOM 967 CG2 ILE A 88 -16.030 1.271 -7.658 1.00 0.00 C ATOM 968 CD1 ILE A 88 -13.627 -0.634 -8.956 1.00 0.00 C ATOM 0 H ILE A 88 -15.546 3.713 -6.107 1.00 0.00 H new ATOM 0 HA ILE A 88 -12.965 2.578 -6.786 1.00 0.00 H new ATOM 0 HB ILE A 88 -14.246 0.537 -6.749 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -14.471 1.195 -9.661 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -12.893 1.369 -8.918 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -16.369 0.284 -7.972 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -16.486 1.524 -6.701 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -16.321 2.009 -8.405 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -13.153 -0.851 -9.913 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -12.982 -0.975 -8.146 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -14.585 -1.152 -8.900 1.00 0.00 H new ATOM 979 N PRO A 89 -13.309 4.669 -8.237 1.00 0.00 N ATOM 980 CA PRO A 89 -13.315 5.691 -9.289 1.00 0.00 C ATOM 981 C PRO A 89 -12.810 5.152 -10.623 1.00 0.00 C ATOM 982 O PRO A 89 -12.013 4.215 -10.664 1.00 0.00 O ATOM 983 CB PRO A 89 -12.363 6.760 -8.749 1.00 0.00 C ATOM 984 CG PRO A 89 -11.454 6.028 -7.824 1.00 0.00 C ATOM 985 CD PRO A 89 -12.281 4.931 -7.215 1.00 0.00 C ATOM 0 HA PRO A 89 -14.320 6.060 -9.494 1.00 0.00 H new ATOM 0 HB2 PRO A 89 -11.806 7.237 -9.555 1.00 0.00 H new ATOM 0 HB3 PRO A 89 -12.907 7.547 -8.228 1.00 0.00 H new ATOM 0 HG2 PRO A 89 -10.598 5.619 -8.360 1.00 0.00 H new ATOM 0 HG3 PRO A 89 -11.061 6.693 -7.055 1.00 0.00 H new ATOM 0 HD2 PRO A 89 -11.683 4.043 -7.011 1.00 0.00 H new ATOM 0 HD3 PRO A 89 -12.725 5.241 -6.269 1.00 0.00 H new ATOM 990 N ARG A 90 -13.281 5.751 -11.713 1.00 0.00 N ATOM 991 CA ARG A 90 -12.878 5.329 -13.050 1.00 0.00 C ATOM 992 C ARG A 90 -12.856 6.515 -14.010 1.00 0.00 C ATOM 993 O ARG A 90 -13.762 7.350 -14.000 1.00 0.00 O ATOM 994 CB ARG A 90 -13.826 4.250 -13.575 1.00 0.00 C ATOM 995 CG ARG A 90 -13.313 2.835 -13.362 1.00 0.00 C ATOM 996 CD ARG A 90 -13.828 2.246 -12.058 1.00 0.00 C ATOM 997 NE ARG A 90 -14.557 0.999 -12.270 1.00 0.00 N ATOM 998 CZ ARG A 90 -15.834 0.946 -12.636 1.00 0.00 C ATOM 999 NH1 ARG A 90 -16.518 2.066 -12.828 1.00 0.00 N ATOM 1000 NH2 ARG A 90 -16.428 -0.227 -12.810 1.00 0.00 N ATOM 0 H ARG A 90 -13.941 6.529 -11.697 1.00 0.00 H new ATOM 0 HA ARG A 90 -11.871 4.917 -12.986 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -14.792 4.356 -13.082 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -13.992 4.411 -14.640 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -13.624 2.205 -14.195 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -12.223 2.839 -13.355 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -12.989 2.065 -11.386 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -14.480 2.968 -11.567 1.00 0.00 H new ATOM 0 HE ARG A 90 -14.059 0.120 -12.130 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -16.064 2.970 -12.695 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -17.498 2.024 -13.109 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -15.905 -1.090 -12.663 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -17.408 -0.266 -13.091 1.00 0.00 H new ATOM 1011 N ILE A 91 -11.820 6.582 -14.837 1.00 0.00 N ATOM 1012 CA ILE A 91 -11.683 7.665 -15.804 1.00 0.00 C ATOM 1013 C ILE A 91 -12.253 7.266 -17.161 1.00 0.00 C ATOM 1014 O ILE A 91 -13.145 7.931 -17.690 1.00 0.00 O ATOM 1015 CB ILE A 91 -10.210 8.078 -15.980 1.00 0.00 C ATOM 1016 CG1 ILE A 91 -9.620 8.529 -14.642 1.00 0.00 C ATOM 1017 CG2 ILE A 91 -10.092 9.184 -17.018 1.00 0.00 C ATOM 1018 CD1 ILE A 91 -8.110 8.444 -14.589 1.00 0.00 C ATOM 0 H ILE A 91 -11.062 5.899 -14.858 1.00 0.00 H new ATOM 0 HA ILE A 91 -12.246 8.512 -15.411 1.00 0.00 H new ATOM 0 HB ILE A 91 -9.645 7.215 -16.331 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -9.925 9.557 -14.447 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -10.039 7.916 -13.844 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -9.045 9.466 -17.132 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -10.478 8.829 -17.973 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -10.668 10.051 -16.693 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -7.761 8.779 -13.612 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -7.798 7.412 -14.752 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -7.682 9.079 -15.365 1.00 0.00 H new ATOM 1029 N HIS A 92 -11.737 6.175 -17.717 1.00 0.00 N ATOM 1030 CA HIS A 92 -12.198 5.686 -19.012 1.00 0.00 C ATOM 1031 C HIS A 92 -12.516 4.195 -18.946 1.00 0.00 C ATOM 1032 O HIS A 92 -11.843 3.364 -19.558 1.00 0.00 O ATOM 1033 CB HIS A 92 -11.139 5.946 -20.084 1.00 0.00 C ATOM 1034 CG HIS A 92 -11.702 6.048 -21.468 1.00 0.00 C ATOM 1035 ND1 HIS A 92 -12.329 7.181 -21.945 1.00 0.00 N ATOM 1036 CD2 HIS A 92 -11.729 5.151 -22.481 1.00 0.00 C ATOM 1037 CE1 HIS A 92 -12.718 6.975 -23.190 1.00 0.00 C ATOM 1038 NE2 HIS A 92 -12.366 5.751 -23.540 1.00 0.00 N ATOM 0 H HIS A 92 -11.000 5.613 -17.292 1.00 0.00 H new ATOM 0 HA HIS A 92 -13.109 6.224 -19.274 1.00 0.00 H new ATOM 0 HB2 HIS A 92 -10.612 6.870 -19.846 1.00 0.00 H new ATOM 0 HB3 HIS A 92 -10.403 5.143 -20.058 1.00 0.00 H new ATOM 0 HD2 HIS A 92 -11.325 4.150 -22.461 1.00 0.00 H new ATOM 0 HE1 HIS A 92 -13.236 7.687 -23.816 1.00 0.00 H new ATOM 0 HE2 HIS A 92 -12.539 5.321 -24.449 1.00 0.00 H new ATOM 1045 N PRO A 93 -13.565 3.845 -18.187 1.00 0.00 N ATOM 1046 CA PRO A 93 -13.996 2.454 -18.025 1.00 0.00 C ATOM 1047 C PRO A 93 -14.603 1.883 -19.301 1.00 0.00 C ATOM 1048 O PRO A 93 -14.533 2.498 -20.363 1.00 0.00 O ATOM 1049 CB PRO A 93 -15.052 2.538 -16.920 1.00 0.00 C ATOM 1050 CG PRO A 93 -15.573 3.931 -16.997 1.00 0.00 C ATOM 1051 CD PRO A 93 -14.411 4.782 -17.430 1.00 0.00 C ATOM 0 HA PRO A 93 -13.162 1.793 -17.788 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -15.847 1.809 -17.076 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -14.618 2.331 -15.942 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -16.396 4.002 -17.709 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -15.958 4.258 -16.031 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -14.735 5.620 -18.048 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -13.880 5.202 -16.576 1.00 0.00 H new ATOM 1056 N ASN A 94 -15.202 0.701 -19.188 1.00 0.00 N ATOM 1057 CA ASN A 94 -15.823 0.047 -20.334 1.00 0.00 C ATOM 1058 C ASN A 94 -16.705 -1.115 -19.885 1.00 0.00 C ATOM 1059 O ASN A 94 -16.842 -1.378 -18.690 1.00 0.00 O ATOM 1060 CB ASN A 94 -14.751 -0.458 -21.302 1.00 0.00 C ATOM 1061 CG ASN A 94 -15.193 -0.372 -22.750 1.00 0.00 C ATOM 1062 OD1 ASN A 94 -15.493 -1.520 -23.347 1.00 0.00 O flip ATOM 1063 ND2 ASN A 94 -15.262 0.714 -23.325 1.00 0.00 N flip ATOM 0 H ASN A 94 -15.270 0.178 -18.315 1.00 0.00 H new ATOM 0 HA ASN A 94 -16.448 0.780 -20.844 1.00 0.00 H new ATOM 0 HB2 ASN A 94 -13.840 0.125 -21.168 1.00 0.00 H new ATOM 0 HB3 ASN A 94 -14.506 -1.492 -21.061 1.00 0.00 H new ATOM 0 HD21 ASN A 94 -15.022 1.571 -22.827 1.00 0.00 H new ATOM 0 HD22 ASN A 94 -15.559 0.757 -24.300 1.00 0.00 H new ATOM 1069 N SER A 95 -17.303 -1.805 -20.851 1.00 0.00 N ATOM 1070 CA SER A 95 -18.175 -2.935 -20.556 1.00 0.00 C ATOM 1071 C SER A 95 -17.424 -4.013 -19.781 1.00 0.00 C ATOM 1072 O SER A 95 -18.031 -4.835 -19.093 1.00 0.00 O ATOM 1073 CB SER A 95 -18.741 -3.522 -21.851 1.00 0.00 C ATOM 1074 OG SER A 95 -19.234 -4.834 -21.643 1.00 0.00 O ATOM 0 H SER A 95 -17.199 -1.601 -21.845 1.00 0.00 H new ATOM 0 HA SER A 95 -18.998 -2.575 -19.939 1.00 0.00 H new ATOM 0 HB2 SER A 95 -19.542 -2.884 -22.224 1.00 0.00 H new ATOM 0 HB3 SER A 95 -17.965 -3.539 -22.616 1.00 0.00 H new ATOM 0 HG SER A 95 -19.592 -5.186 -22.485 1.00 0.00 H new ATOM 1079 N ILE A 96 -16.100 -4.002 -19.898 1.00 0.00 N ATOM 1080 CA ILE A 96 -15.266 -4.979 -19.208 1.00 0.00 C ATOM 1081 C ILE A 96 -15.439 -4.880 -17.697 1.00 0.00 C ATOM 1082 O ILE A 96 -15.247 -5.858 -16.973 1.00 0.00 O ATOM 1083 CB ILE A 96 -13.777 -4.792 -19.556 1.00 0.00 C ATOM 1084 CG1 ILE A 96 -13.563 -4.920 -21.065 1.00 0.00 C ATOM 1085 CG2 ILE A 96 -12.926 -5.807 -18.807 1.00 0.00 C ATOM 1086 CD1 ILE A 96 -12.135 -4.671 -21.498 1.00 0.00 C ATOM 0 H ILE A 96 -15.583 -3.329 -20.463 1.00 0.00 H new ATOM 0 HA ILE A 96 -15.589 -5.964 -19.544 1.00 0.00 H new ATOM 0 HB ILE A 96 -13.470 -3.792 -19.248 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -13.861 -5.919 -21.382 1.00 0.00 H new ATOM 0 HG13 ILE A 96 -14.217 -4.215 -21.577 1.00 0.00 H new ATOM 0 HG21 ILE A 96 -11.877 -5.662 -19.064 1.00 0.00 H new ATOM 0 HG22 ILE A 96 -13.059 -5.672 -17.734 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -13.232 -6.815 -19.087 1.00 0.00 H new ATOM 0 HD11 ILE A 96 -12.059 -4.779 -22.580 1.00 0.00 H new ATOM 0 HD12 ILE A 96 -11.839 -3.662 -21.212 1.00 0.00 H new ATOM 0 HD13 ILE A 96 -11.477 -5.393 -21.014 1.00 0.00 H new ATOM 1097 N CYS A 97 -15.807 -3.694 -17.225 1.00 0.00 N ATOM 1098 CA CYS A 97 -16.009 -3.466 -15.799 1.00 0.00 C ATOM 1099 C CYS A 97 -17.407 -2.917 -15.529 1.00 0.00 C ATOM 1100 O CYS A 97 -17.765 -1.841 -16.007 1.00 0.00 O ATOM 1101 CB CYS A 97 -14.955 -2.496 -15.262 1.00 0.00 C ATOM 1102 SG CYS A 97 -13.307 -3.238 -15.037 1.00 0.00 S ATOM 0 H CYS A 97 -15.972 -2.875 -17.810 1.00 0.00 H new ATOM 0 HA CYS A 97 -15.908 -4.422 -15.285 1.00 0.00 H new ATOM 0 HB2 CYS A 97 -14.871 -1.652 -15.947 1.00 0.00 H new ATOM 0 HB3 CYS A 97 -15.296 -2.098 -14.306 1.00 0.00 H new ATOM 1106 N ALA A 98 -18.191 -3.665 -14.759 1.00 0.00 N ATOM 1107 CA ALA A 98 -19.548 -3.251 -14.423 1.00 0.00 C ATOM 1108 C ALA A 98 -20.362 -2.965 -15.680 1.00 0.00 C ATOM 1109 O ALA A 98 -19.927 -3.259 -16.794 1.00 0.00 O ATOM 1110 CB ALA A 98 -19.519 -2.028 -13.519 1.00 0.00 C ATOM 0 H ALA A 98 -17.910 -4.559 -14.357 1.00 0.00 H new ATOM 0 HA ALA A 98 -20.030 -4.071 -13.890 1.00 0.00 H new ATOM 0 HB1 ALA A 98 -20.539 -1.730 -13.277 1.00 0.00 H new ATOM 0 HB2 ALA A 98 -18.983 -2.267 -12.601 1.00 0.00 H new ATOM 0 HB3 ALA A 98 -19.014 -1.209 -14.031 1.00 0.00 H new ATOM 1116 N ALA A 99 -21.546 -2.389 -15.495 1.00 0.00 N ATOM 1117 CA ALA A 99 -22.420 -2.062 -16.614 1.00 0.00 C ATOM 1118 C ALA A 99 -21.948 -0.800 -17.329 1.00 0.00 C ATOM 1119 O ALA A 99 -22.682 0.181 -17.428 1.00 0.00 O ATOM 1120 CB ALA A 99 -23.853 -1.892 -16.132 1.00 0.00 C ATOM 0 H ALA A 99 -21.921 -2.139 -14.580 1.00 0.00 H new ATOM 0 HA ALA A 99 -22.382 -2.887 -17.325 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -24.495 -1.648 -16.978 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -24.195 -2.820 -15.673 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -23.897 -1.087 -15.399 1.00 0.00 H new ATOM 1126 N ASN A 100 -20.715 -0.833 -17.824 1.00 0.00 N ATOM 1127 CA ASN A 100 -20.142 0.309 -18.529 1.00 0.00 C ATOM 1128 C ASN A 100 -20.317 1.590 -17.718 1.00 0.00 C ATOM 1129 O ASN A 100 -20.448 2.678 -18.278 1.00 0.00 O ATOM 1130 CB ASN A 100 -20.798 0.468 -19.902 1.00 0.00 C ATOM 1131 CG ASN A 100 -19.907 1.199 -20.887 1.00 0.00 C ATOM 1132 OD1 ASN A 100 -19.327 0.456 -21.824 1.00 0.00 O flip ATOM 1133 ND2 ASN A 100 -19.741 2.415 -20.807 1.00 0.00 N flip ATOM 0 H ASN A 100 -20.093 -1.638 -17.750 1.00 0.00 H new ATOM 0 HA ASN A 100 -19.076 0.126 -18.662 1.00 0.00 H new ATOM 0 HB2 ASN A 100 -21.044 -0.516 -20.300 1.00 0.00 H new ATOM 0 HB3 ASN A 100 -21.736 1.011 -19.793 1.00 0.00 H new ATOM 0 HD21 ASN A 100 -20.207 2.946 -20.071 1.00 0.00 H new ATOM 0 HD22 ASN A 100 -19.138 2.893 -21.477 1.00 0.00 H new ATOM 1139 N ASN A 101 -20.317 1.453 -16.396 1.00 0.00 N ATOM 1140 CA ASN A 101 -20.474 2.599 -15.509 1.00 0.00 C ATOM 1141 C ASN A 101 -19.312 3.574 -15.668 1.00 0.00 C ATOM 1142 O ASN A 101 -18.289 3.247 -16.271 1.00 0.00 O ATOM 1143 CB ASN A 101 -20.571 2.135 -14.054 1.00 0.00 C ATOM 1144 CG ASN A 101 -21.999 1.847 -13.632 1.00 0.00 C ATOM 1145 OD1 ASN A 101 -22.536 2.496 -12.736 1.00 0.00 O ATOM 1146 ND2 ASN A 101 -22.621 0.867 -14.280 1.00 0.00 N ATOM 0 H ASN A 101 -20.210 0.560 -15.916 1.00 0.00 H new ATOM 0 HA ASN A 101 -21.396 3.114 -15.781 1.00 0.00 H new ATOM 0 HB2 ASN A 101 -19.968 1.237 -13.921 1.00 0.00 H new ATOM 0 HB3 ASN A 101 -20.150 2.901 -13.403 1.00 0.00 H new ATOM 0 HD21 ASN A 101 -23.583 0.627 -14.040 1.00 0.00 H new ATOM 0 HD22 ASN A 101 -22.136 0.355 -15.017 1.00 0.00 H new ATOM 1152 N THR A 102 -19.474 4.775 -15.119 1.00 0.00 N ATOM 1153 CA THR A 102 -18.440 5.797 -15.199 1.00 0.00 C ATOM 1154 C THR A 102 -18.431 6.671 -13.949 1.00 0.00 C ATOM 1155 O THR A 102 -19.434 6.771 -13.244 1.00 0.00 O ATOM 1156 CB THR A 102 -18.631 6.695 -16.436 1.00 0.00 C ATOM 1157 OG1 THR A 102 -19.970 7.201 -16.472 1.00 0.00 O ATOM 1158 CG2 THR A 102 -18.341 5.923 -17.715 1.00 0.00 C ATOM 0 H THR A 102 -20.313 5.062 -14.614 1.00 0.00 H new ATOM 0 HA THR A 102 -17.487 5.275 -15.281 1.00 0.00 H new ATOM 0 HB THR A 102 -17.930 7.527 -16.365 1.00 0.00 H new ATOM 0 HG1 THR A 102 -20.083 7.772 -17.260 1.00 0.00 H new ATOM 0 HG21 THR A 102 -18.482 6.578 -18.575 1.00 0.00 H new ATOM 0 HG22 THR A 102 -17.312 5.564 -17.698 1.00 0.00 H new ATOM 0 HG23 THR A 102 -19.021 5.074 -17.790 1.00 0.00 H new ATOM 1166 N GLY A 103 -17.292 7.302 -13.682 1.00 0.00 N ATOM 1167 CA GLY A 103 -17.174 8.158 -12.517 1.00 0.00 C ATOM 1168 C GLY A 103 -16.777 7.392 -11.270 1.00 0.00 C ATOM 1169 O GLY A 103 -15.927 6.502 -11.324 1.00 0.00 O ATOM 0 H GLY A 103 -16.449 7.235 -14.252 1.00 0.00 H new ATOM 0 HA2 GLY A 103 -16.434 8.934 -12.714 1.00 0.00 H new ATOM 0 HA3 GLY A 103 -18.125 8.662 -12.343 1.00 0.00 H new ATOM 1173 N VAL A 104 -17.392 7.737 -10.143 1.00 0.00 N ATOM 1174 CA VAL A 104 -17.097 7.075 -8.879 1.00 0.00 C ATOM 1175 C VAL A 104 -18.260 6.197 -8.433 1.00 0.00 C ATOM 1176 O VAL A 104 -19.407 6.646 -8.381 1.00 0.00 O ATOM 1177 CB VAL A 104 -16.786 8.098 -7.769 1.00 0.00 C ATOM 1178 CG1 VAL A 104 -16.415 7.387 -6.476 1.00 0.00 C ATOM 1179 CG2 VAL A 104 -15.675 9.038 -8.209 1.00 0.00 C ATOM 0 H VAL A 104 -18.097 8.471 -10.080 1.00 0.00 H new ATOM 0 HA VAL A 104 -16.219 6.452 -9.046 1.00 0.00 H new ATOM 0 HB VAL A 104 -17.681 8.692 -7.584 1.00 0.00 H new ATOM 0 HG11 VAL A 104 -16.199 8.125 -5.704 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -17.246 6.759 -6.155 1.00 0.00 H new ATOM 0 HG13 VAL A 104 -15.534 6.767 -6.642 1.00 0.00 H new ATOM 0 HG21 VAL A 104 -15.468 9.754 -7.414 1.00 0.00 H new ATOM 0 HG22 VAL A 104 -14.774 8.462 -8.423 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -15.985 9.573 -9.107 1.00 0.00 H new ATOM 1189 N TYR A 105 -17.960 4.944 -8.112 1.00 0.00 N ATOM 1190 CA TYR A 105 -18.982 4.001 -7.672 1.00 0.00 C ATOM 1191 C TYR A 105 -18.677 3.482 -6.270 1.00 0.00 C ATOM 1192 O TYR A 105 -17.516 3.356 -5.882 1.00 0.00 O ATOM 1193 CB TYR A 105 -19.079 2.829 -8.651 1.00 0.00 C ATOM 1194 CG TYR A 105 -20.474 2.260 -8.777 1.00 0.00 C ATOM 1195 CD1 TYR A 105 -21.376 2.774 -9.701 1.00 0.00 C ATOM 1196 CD2 TYR A 105 -20.890 1.206 -7.974 1.00 0.00 C ATOM 1197 CE1 TYR A 105 -22.651 2.258 -9.819 1.00 0.00 C ATOM 1198 CE2 TYR A 105 -22.164 0.682 -8.085 1.00 0.00 C ATOM 1199 CZ TYR A 105 -23.040 1.211 -9.008 1.00 0.00 C ATOM 1200 OH TYR A 105 -24.310 0.693 -9.124 1.00 0.00 O ATOM 0 H TYR A 105 -17.017 4.557 -8.148 1.00 0.00 H new ATOM 0 HA TYR A 105 -19.937 4.525 -7.646 1.00 0.00 H new ATOM 0 HB2 TYR A 105 -18.740 3.158 -9.633 1.00 0.00 H new ATOM 0 HB3 TYR A 105 -18.401 2.039 -8.327 1.00 0.00 H new ATOM 0 HD1 TYR A 105 -21.074 3.592 -10.338 1.00 0.00 H new ATOM 0 HD2 TYR A 105 -20.206 0.789 -7.250 1.00 0.00 H new ATOM 0 HE1 TYR A 105 -23.340 2.671 -10.541 1.00 0.00 H new ATOM 0 HE2 TYR A 105 -22.471 -0.137 -7.452 1.00 0.00 H new ATOM 0 HH TYR A 105 -24.424 -0.039 -8.483 1.00 0.00 H new ATOM 1209 N ILE A 106 -19.730 3.183 -5.516 1.00 0.00 N ATOM 1210 CA ILE A 106 -19.577 2.677 -4.159 1.00 0.00 C ATOM 1211 C ILE A 106 -20.366 1.388 -3.961 1.00 0.00 C ATOM 1212 O ILE A 106 -21.552 1.318 -4.284 1.00 0.00 O ATOM 1213 CB ILE A 106 -20.038 3.712 -3.116 1.00 0.00 C ATOM 1214 CG1 ILE A 106 -19.247 5.013 -3.274 1.00 0.00 C ATOM 1215 CG2 ILE A 106 -19.876 3.156 -1.710 1.00 0.00 C ATOM 1216 CD1 ILE A 106 -19.826 6.171 -2.492 1.00 0.00 C ATOM 0 H ILE A 106 -20.698 3.283 -5.823 1.00 0.00 H new ATOM 0 HA ILE A 106 -18.515 2.477 -4.015 1.00 0.00 H new ATOM 0 HB ILE A 106 -21.094 3.927 -3.281 1.00 0.00 H new ATOM 0 HG12 ILE A 106 -18.219 4.845 -2.952 1.00 0.00 H new ATOM 0 HG13 ILE A 106 -19.210 5.280 -4.330 1.00 0.00 H new ATOM 0 HG21 ILE A 106 -20.206 3.899 -0.984 1.00 0.00 H new ATOM 0 HG22 ILE A 106 -20.478 2.253 -1.604 1.00 0.00 H new ATOM 0 HG23 ILE A 106 -18.828 2.916 -1.532 1.00 0.00 H new ATOM 0 HD11 ILE A 106 -19.215 7.059 -2.651 1.00 0.00 H new ATOM 0 HD12 ILE A 106 -20.844 6.366 -2.830 1.00 0.00 H new ATOM 0 HD13 ILE A 106 -19.837 5.924 -1.430 1.00 0.00 H new ATOM 1227 N LEU A 107 -19.702 0.369 -3.425 1.00 0.00 N ATOM 1228 CA LEU A 107 -20.342 -0.918 -3.181 1.00 0.00 C ATOM 1229 C LEU A 107 -20.171 -1.344 -1.726 1.00 0.00 C ATOM 1230 O LEU A 107 -19.057 -1.599 -1.267 1.00 0.00 O ATOM 1231 CB LEU A 107 -19.756 -1.985 -4.108 1.00 0.00 C ATOM 1232 CG LEU A 107 -20.469 -2.175 -5.448 1.00 0.00 C ATOM 1233 CD1 LEU A 107 -19.736 -3.197 -6.303 1.00 0.00 C ATOM 1234 CD2 LEU A 107 -21.915 -2.597 -5.227 1.00 0.00 C ATOM 0 H LEU A 107 -18.720 0.410 -3.151 1.00 0.00 H new ATOM 0 HA LEU A 107 -21.407 -0.811 -3.387 1.00 0.00 H new ATOM 0 HB2 LEU A 107 -18.714 -1.733 -4.306 1.00 0.00 H new ATOM 0 HB3 LEU A 107 -19.759 -2.938 -3.579 1.00 0.00 H new ATOM 0 HG LEU A 107 -20.467 -1.222 -5.978 1.00 0.00 H new ATOM 0 HD11 LEU A 107 -20.258 -3.319 -7.252 1.00 0.00 H new ATOM 0 HD12 LEU A 107 -18.719 -2.853 -6.490 1.00 0.00 H new ATOM 0 HD13 LEU A 107 -19.705 -4.153 -5.781 1.00 0.00 H new ATOM 0 HD21 LEU A 107 -22.407 -2.728 -6.191 1.00 0.00 H new ATOM 0 HD22 LEU A 107 -21.939 -3.537 -4.677 1.00 0.00 H new ATOM 0 HD23 LEU A 107 -22.435 -1.828 -4.655 1.00 0.00 H new ATOM 1306 N GLN A 113 -10.558 -9.329 0.740 1.00 0.00 N ATOM 1307 CA GLN A 113 -9.231 -8.745 0.576 1.00 0.00 C ATOM 1308 C GLN A 113 -9.142 -7.955 -0.725 1.00 0.00 C ATOM 1309 O GLN A 113 -9.608 -8.407 -1.771 1.00 0.00 O ATOM 1310 CB GLN A 113 -8.163 -9.839 0.598 1.00 0.00 C ATOM 1311 CG GLN A 113 -7.781 -10.289 1.999 1.00 0.00 C ATOM 1312 CD GLN A 113 -8.880 -11.083 2.675 1.00 0.00 C ATOM 1313 OE1 GLN A 113 -9.707 -10.528 3.400 1.00 0.00 O ATOM 1314 NE2 GLN A 113 -8.896 -12.390 2.443 1.00 0.00 N ATOM 0 HA GLN A 113 -9.056 -8.062 1.407 1.00 0.00 H new ATOM 0 HB2 GLN A 113 -8.525 -10.699 0.035 1.00 0.00 H new ATOM 0 HB3 GLN A 113 -7.272 -9.475 0.087 1.00 0.00 H new ATOM 0 HG2 GLN A 113 -6.878 -10.897 1.948 1.00 0.00 H new ATOM 0 HG3 GLN A 113 -7.543 -9.415 2.605 1.00 0.00 H new ATOM 0 HE21 GLN A 113 -8.192 -12.809 1.836 1.00 0.00 H new ATOM 0 HE22 GLN A 113 -9.613 -12.975 2.872 1.00 0.00 H new ATOM 1321 N TYR A 114 -8.542 -6.773 -0.653 1.00 0.00 N ATOM 1322 CA TYR A 114 -8.394 -5.918 -1.825 1.00 0.00 C ATOM 1323 C TYR A 114 -7.282 -4.893 -1.615 1.00 0.00 C ATOM 1324 O TYR A 114 -6.625 -4.879 -0.575 1.00 0.00 O ATOM 1325 CB TYR A 114 -9.710 -5.201 -2.130 1.00 0.00 C ATOM 1326 CG TYR A 114 -10.641 -5.998 -3.017 1.00 0.00 C ATOM 1327 CD1 TYR A 114 -10.286 -6.318 -4.321 1.00 0.00 C ATOM 1328 CD2 TYR A 114 -11.876 -6.431 -2.550 1.00 0.00 C ATOM 1329 CE1 TYR A 114 -11.133 -7.046 -5.134 1.00 0.00 C ATOM 1330 CE2 TYR A 114 -12.729 -7.159 -3.356 1.00 0.00 C ATOM 1331 CZ TYR A 114 -12.352 -7.463 -4.647 1.00 0.00 C ATOM 1332 OH TYR A 114 -13.201 -8.189 -5.454 1.00 0.00 O ATOM 0 H TYR A 114 -8.150 -6.384 0.205 1.00 0.00 H new ATOM 0 HA TYR A 114 -8.127 -6.550 -2.672 1.00 0.00 H new ATOM 0 HB2 TYR A 114 -10.218 -4.977 -1.192 1.00 0.00 H new ATOM 0 HB3 TYR A 114 -9.492 -4.247 -2.610 1.00 0.00 H new ATOM 0 HD1 TYR A 114 -9.331 -5.992 -4.706 1.00 0.00 H new ATOM 0 HD2 TYR A 114 -12.174 -6.194 -1.539 1.00 0.00 H new ATOM 0 HE1 TYR A 114 -10.841 -7.287 -6.146 1.00 0.00 H new ATOM 0 HE2 TYR A 114 -13.685 -7.488 -2.977 1.00 0.00 H new ATOM 0 HH TYR A 114 -14.018 -8.406 -4.958 1.00 0.00 H new ATOM 1341 N ASP A 115 -7.079 -4.038 -2.612 1.00 0.00 N ATOM 1342 CA ASP A 115 -6.048 -3.009 -2.538 1.00 0.00 C ATOM 1343 C ASP A 115 -6.373 -1.991 -1.449 1.00 0.00 C ATOM 1344 O ASP A 115 -7.346 -2.147 -0.708 1.00 0.00 O ATOM 1345 CB ASP A 115 -5.905 -2.302 -3.886 1.00 0.00 C ATOM 1346 CG ASP A 115 -7.227 -1.768 -4.403 1.00 0.00 C ATOM 1347 OD1 ASP A 115 -7.710 -0.752 -3.861 1.00 0.00 O ATOM 1348 OD2 ASP A 115 -7.779 -2.366 -5.351 1.00 0.00 O ATOM 0 H ASP A 115 -7.614 -4.037 -3.480 1.00 0.00 H new ATOM 0 HA ASP A 115 -5.104 -3.493 -2.288 1.00 0.00 H new ATOM 0 HB2 ASP A 115 -5.197 -1.479 -3.788 1.00 0.00 H new ATOM 0 HB3 ASP A 115 -5.487 -2.997 -4.615 1.00 0.00 H new ATOM 1352 N THR A 116 -5.555 -0.948 -1.355 1.00 0.00 N ATOM 1353 CA THR A 116 -5.754 0.093 -0.356 1.00 0.00 C ATOM 1354 C THR A 116 -5.155 1.417 -0.816 1.00 0.00 C ATOM 1355 O THR A 116 -4.089 1.448 -1.432 1.00 0.00 O ATOM 1356 CB THR A 116 -5.128 -0.299 0.995 1.00 0.00 C ATOM 1357 OG1 THR A 116 -5.533 0.627 2.010 1.00 0.00 O ATOM 1358 CG2 THR A 116 -3.610 -0.323 0.903 1.00 0.00 C ATOM 0 H THR A 116 -4.747 -0.802 -1.960 1.00 0.00 H new ATOM 0 HA THR A 116 -6.830 0.209 -0.229 1.00 0.00 H new ATOM 0 HB THR A 116 -5.477 -1.299 1.254 1.00 0.00 H new ATOM 0 HG1 THR A 116 -4.774 0.818 2.600 1.00 0.00 H new ATOM 0 HG21 THR A 116 -3.191 -0.603 1.870 1.00 0.00 H new ATOM 0 HG22 THR A 116 -3.303 -1.049 0.151 1.00 0.00 H new ATOM 0 HG23 THR A 116 -3.247 0.666 0.623 1.00 0.00 H new ATOM 1366 N TYR A 117 -5.847 2.510 -0.514 1.00 0.00 N ATOM 1367 CA TYR A 117 -5.384 3.839 -0.898 1.00 0.00 C ATOM 1368 C TYR A 117 -5.016 4.664 0.333 1.00 0.00 C ATOM 1369 O TYR A 117 -5.564 4.463 1.417 1.00 0.00 O ATOM 1370 CB TYR A 117 -6.461 4.563 -1.708 1.00 0.00 C ATOM 1371 CG TYR A 117 -7.055 3.720 -2.813 1.00 0.00 C ATOM 1372 CD1 TYR A 117 -6.245 2.945 -3.635 1.00 0.00 C ATOM 1373 CD2 TYR A 117 -8.425 3.698 -3.037 1.00 0.00 C ATOM 1374 CE1 TYR A 117 -6.783 2.175 -4.647 1.00 0.00 C ATOM 1375 CE2 TYR A 117 -8.973 2.929 -4.045 1.00 0.00 C ATOM 1376 CZ TYR A 117 -8.148 2.170 -4.849 1.00 0.00 C ATOM 1377 OH TYR A 117 -8.690 1.403 -5.855 1.00 0.00 O ATOM 0 H TYR A 117 -6.731 2.502 -0.004 1.00 0.00 H new ATOM 0 HA TYR A 117 -4.493 3.722 -1.515 1.00 0.00 H new ATOM 0 HB2 TYR A 117 -7.258 4.880 -1.036 1.00 0.00 H new ATOM 0 HB3 TYR A 117 -6.032 5.466 -2.142 1.00 0.00 H new ATOM 0 HD1 TYR A 117 -5.176 2.945 -3.479 1.00 0.00 H new ATOM 0 HD2 TYR A 117 -9.074 4.293 -2.412 1.00 0.00 H new ATOM 0 HE1 TYR A 117 -6.139 1.580 -5.277 1.00 0.00 H new ATOM 0 HE2 TYR A 117 -10.041 2.922 -4.203 1.00 0.00 H new ATOM 0 HH TYR A 117 -8.596 0.454 -5.630 1.00 0.00 H new ATOM 1386 N CYS A 118 -4.083 5.595 0.155 1.00 0.00 N ATOM 1387 CA CYS A 118 -3.639 6.451 1.247 1.00 0.00 C ATOM 1388 C CYS A 118 -3.582 7.910 0.804 1.00 0.00 C ATOM 1389 O CYS A 118 -3.324 8.207 -0.362 1.00 0.00 O ATOM 1390 CB CYS A 118 -2.266 6.003 1.748 1.00 0.00 C ATOM 1391 SG CYS A 118 -2.259 4.359 2.533 1.00 0.00 S ATOM 0 H CYS A 118 -3.620 5.775 -0.736 1.00 0.00 H new ATOM 0 HA CYS A 118 -4.359 6.365 2.060 1.00 0.00 H new ATOM 0 HB2 CYS A 118 -1.570 5.996 0.909 1.00 0.00 H new ATOM 0 HB3 CYS A 118 -1.895 6.737 2.464 1.00 0.00 H new ATOM 1395 N PHE A 119 -3.823 8.817 1.744 1.00 0.00 N ATOM 1396 CA PHE A 119 -3.799 10.247 1.452 1.00 0.00 C ATOM 1397 C PHE A 119 -2.785 10.965 2.338 1.00 0.00 C ATOM 1398 O PHE A 119 -2.964 11.064 3.551 1.00 0.00 O ATOM 1399 CB PHE A 119 -5.190 10.853 1.654 1.00 0.00 C ATOM 1400 CG PHE A 119 -5.176 12.348 1.792 1.00 0.00 C ATOM 1401 CD1 PHE A 119 -5.085 13.161 0.672 1.00 0.00 C ATOM 1402 CD2 PHE A 119 -5.256 12.943 3.041 1.00 0.00 C ATOM 1403 CE1 PHE A 119 -5.073 14.537 0.798 1.00 0.00 C ATOM 1404 CE2 PHE A 119 -5.244 14.318 3.173 1.00 0.00 C ATOM 1405 CZ PHE A 119 -5.154 15.116 2.049 1.00 0.00 C ATOM 0 H PHE A 119 -4.037 8.588 2.715 1.00 0.00 H new ATOM 0 HA PHE A 119 -3.502 10.376 0.411 1.00 0.00 H new ATOM 0 HB2 PHE A 119 -5.823 10.580 0.810 1.00 0.00 H new ATOM 0 HB3 PHE A 119 -5.642 10.418 2.545 1.00 0.00 H new ATOM 0 HD1 PHE A 119 -5.023 12.714 -0.309 1.00 0.00 H new ATOM 0 HD2 PHE A 119 -5.329 12.324 3.923 1.00 0.00 H new ATOM 0 HE1 PHE A 119 -5.000 15.159 -0.082 1.00 0.00 H new ATOM 0 HE2 PHE A 119 -5.305 14.768 4.153 1.00 0.00 H new ATOM 0 HZ PHE A 119 -5.147 16.191 2.149 1.00 0.00 H new ATOM 1414 N ASN A 120 -1.720 11.467 1.721 1.00 0.00 N ATOM 1415 CA ASN A 120 -0.677 12.176 2.451 1.00 0.00 C ATOM 1416 C ASN A 120 -0.809 13.685 2.261 1.00 0.00 C ATOM 1417 O ASN A 120 -0.715 14.190 1.143 1.00 0.00 O ATOM 1418 CB ASN A 120 0.706 11.712 1.988 1.00 0.00 C ATOM 1419 CG ASN A 120 1.805 12.674 2.393 1.00 0.00 C ATOM 1420 OD1 ASN A 120 2.199 13.546 1.619 1.00 0.00 O ATOM 1421 ND2 ASN A 120 2.308 12.517 3.613 1.00 0.00 N ATOM 0 H ASN A 120 -1.557 11.395 0.717 1.00 0.00 H new ATOM 0 HA ASN A 120 -0.793 11.949 3.511 1.00 0.00 H new ATOM 0 HB2 ASN A 120 0.915 10.728 2.408 1.00 0.00 H new ATOM 0 HB3 ASN A 120 0.705 11.602 0.904 1.00 0.00 H new ATOM 0 HD21 ASN A 120 3.051 13.133 3.941 1.00 0.00 H new ATOM 0 HD22 ASN A 120 1.951 11.780 4.221 1.00 0.00 H new ATOM 1427 N ALA A 121 -1.024 14.397 3.361 1.00 0.00 N ATOM 1428 CA ALA A 121 -1.167 15.847 3.317 1.00 0.00 C ATOM 1429 C ALA A 121 0.188 16.535 3.445 1.00 0.00 C ATOM 1430 O ALA A 121 0.369 17.420 4.284 1.00 0.00 O ATOM 1431 CB ALA A 121 -2.107 16.320 4.415 1.00 0.00 C ATOM 0 H ALA A 121 -1.103 13.994 4.294 1.00 0.00 H new ATOM 0 HA ALA A 121 -1.593 16.116 2.350 1.00 0.00 H new ATOM 0 HB1 ALA A 121 -2.203 17.405 4.369 1.00 0.00 H new ATOM 0 HB2 ALA A 121 -3.087 15.862 4.277 1.00 0.00 H new ATOM 0 HB3 ALA A 121 -1.705 16.032 5.387 1.00 0.00 H new ATOM 1437 N SER A 122 1.138 16.125 2.613 1.00 0.00 N ATOM 1438 CA SER A 122 2.478 16.699 2.636 1.00 0.00 C ATOM 1439 C SER A 122 2.888 17.181 1.248 1.00 0.00 C ATOM 1440 O SER A 122 3.028 18.379 1.012 1.00 0.00 O ATOM 1441 CB SER A 122 3.487 15.670 3.151 1.00 0.00 C ATOM 1442 OG SER A 122 4.634 16.305 3.688 1.00 0.00 O ATOM 0 H SER A 122 1.005 15.396 1.913 1.00 0.00 H new ATOM 0 HA SER A 122 2.468 17.556 3.309 1.00 0.00 H new ATOM 0 HB2 SER A 122 3.020 15.049 3.915 1.00 0.00 H new ATOM 0 HB3 SER A 122 3.782 15.007 2.338 1.00 0.00 H new ATOM 0 HG SER A 122 5.262 15.626 4.012 1.00 0.00 H new ATOM 1447 N ALA A 123 3.079 16.236 0.333 1.00 0.00 N ATOM 1448 CA ALA A 123 3.472 16.562 -1.032 1.00 0.00 C ATOM 1449 C ALA A 123 2.480 17.527 -1.672 1.00 0.00 C ATOM 1450 O ALA A 123 1.335 17.656 -1.239 1.00 0.00 O ATOM 1451 CB ALA A 123 3.589 15.293 -1.864 1.00 0.00 C ATOM 0 H ALA A 123 2.968 15.238 0.513 1.00 0.00 H new ATOM 0 HA ALA A 123 4.445 17.052 -0.998 1.00 0.00 H new ATOM 0 HB1 ALA A 123 3.883 15.551 -2.881 1.00 0.00 H new ATOM 0 HB2 ALA A 123 4.341 14.637 -1.424 1.00 0.00 H new ATOM 0 HB3 ALA A 123 2.627 14.781 -1.883 1.00 0.00 H new ATOM 1457 N PRO A 124 2.928 18.224 -2.727 1.00 0.00 N ATOM 1458 CA PRO A 124 2.095 19.190 -3.449 1.00 0.00 C ATOM 1459 C PRO A 124 0.980 18.516 -4.242 1.00 0.00 C ATOM 1460 O PRO A 124 1.049 17.331 -4.570 1.00 0.00 O ATOM 1461 CB PRO A 124 3.085 19.875 -4.394 1.00 0.00 C ATOM 1462 CG PRO A 124 4.173 18.877 -4.592 1.00 0.00 C ATOM 1463 CD PRO A 124 4.281 18.120 -3.297 1.00 0.00 C ATOM 0 HA PRO A 124 1.587 19.876 -2.772 1.00 0.00 H new ATOM 0 HB2 PRO A 124 2.612 20.138 -5.340 1.00 0.00 H new ATOM 0 HB3 PRO A 124 3.469 20.799 -3.962 1.00 0.00 H new ATOM 0 HG2 PRO A 124 3.941 18.205 -5.418 1.00 0.00 H new ATOM 0 HG3 PRO A 124 5.114 19.369 -4.836 1.00 0.00 H new ATOM 0 HD2 PRO A 124 4.569 17.082 -3.461 1.00 0.00 H new ATOM 0 HD3 PRO A 124 5.030 18.558 -2.637 1.00 0.00 H new ATOM 1468 N PRO A 125 -0.071 19.287 -4.560 1.00 0.00 N ATOM 1469 CA PRO A 125 -1.219 18.785 -5.320 1.00 0.00 C ATOM 1470 C PRO A 125 -0.869 18.493 -6.775 1.00 0.00 C ATOM 1471 O PRO A 125 -1.251 19.240 -7.676 1.00 0.00 O ATOM 1472 CB PRO A 125 -2.230 19.931 -5.233 1.00 0.00 C ATOM 1473 CG PRO A 125 -1.402 21.150 -5.014 1.00 0.00 C ATOM 1474 CD PRO A 125 -0.219 20.707 -4.202 1.00 0.00 C ATOM 0 HA PRO A 125 -1.589 17.840 -4.922 1.00 0.00 H new ATOM 0 HB2 PRO A 125 -2.818 20.011 -6.147 1.00 0.00 H new ATOM 0 HB3 PRO A 125 -2.933 19.778 -4.414 1.00 0.00 H new ATOM 0 HG2 PRO A 125 -1.084 21.581 -5.963 1.00 0.00 H new ATOM 0 HG3 PRO A 125 -1.970 21.918 -4.489 1.00 0.00 H new ATOM 0 HD2 PRO A 125 0.675 21.279 -4.450 1.00 0.00 H new ATOM 0 HD3 PRO A 125 -0.394 20.836 -3.134 1.00 0.00 H new ATOM 1479 N GLU A 126 -0.141 17.404 -6.997 1.00 0.00 N ATOM 1480 CA GLU A 126 0.261 17.015 -8.343 1.00 0.00 C ATOM 1481 C GLU A 126 0.546 15.518 -8.417 1.00 0.00 C ATOM 1482 O GLU A 126 0.415 14.804 -7.423 1.00 0.00 O ATOM 1483 CB GLU A 126 1.499 17.803 -8.778 1.00 0.00 C ATOM 1484 CG GLU A 126 1.191 19.218 -9.234 1.00 0.00 C ATOM 1485 CD GLU A 126 0.119 19.266 -10.306 1.00 0.00 C ATOM 1486 OE1 GLU A 126 0.132 18.392 -11.197 1.00 0.00 O ATOM 1487 OE2 GLU A 126 -0.733 20.177 -10.253 1.00 0.00 O ATOM 0 H GLU A 126 0.183 16.775 -6.262 1.00 0.00 H new ATOM 0 HA GLU A 126 -0.563 17.243 -9.019 1.00 0.00 H new ATOM 0 HB2 GLU A 126 2.204 17.843 -7.947 1.00 0.00 H new ATOM 0 HB3 GLU A 126 1.993 17.268 -9.589 1.00 0.00 H new ATOM 0 HG2 GLU A 126 0.869 19.810 -8.377 1.00 0.00 H new ATOM 0 HG3 GLU A 126 2.102 19.679 -9.616 1.00 0.00 H new ATOM 1492 N GLU A 127 0.935 15.052 -9.599 1.00 0.00 N ATOM 1493 CA GLU A 127 1.237 13.639 -9.801 1.00 0.00 C ATOM 1494 C GLU A 127 2.740 13.417 -9.929 1.00 0.00 C ATOM 1495 O GLU A 127 3.263 13.259 -11.033 1.00 0.00 O ATOM 1496 CB GLU A 127 0.523 13.116 -11.050 1.00 0.00 C ATOM 1497 CG GLU A 127 0.674 14.023 -12.260 1.00 0.00 C ATOM 1498 CD GLU A 127 0.286 13.335 -13.556 1.00 0.00 C ATOM 1499 OE1 GLU A 127 0.209 12.088 -13.564 1.00 0.00 O ATOM 1500 OE2 GLU A 127 0.062 14.042 -14.559 1.00 0.00 O ATOM 0 H GLU A 127 1.049 15.631 -10.431 1.00 0.00 H new ATOM 0 HA GLU A 127 0.880 13.089 -8.930 1.00 0.00 H new ATOM 0 HB2 GLU A 127 0.914 12.128 -11.295 1.00 0.00 H new ATOM 0 HB3 GLU A 127 -0.537 12.993 -10.828 1.00 0.00 H new ATOM 0 HG2 GLU A 127 0.055 14.910 -12.124 1.00 0.00 H new ATOM 0 HG3 GLU A 127 1.707 14.363 -12.328 1.00 0.00 H new ATOM 1505 N ASP A 128 3.431 13.407 -8.795 1.00 0.00 N ATOM 1506 CA ASP A 128 4.874 13.204 -8.779 1.00 0.00 C ATOM 1507 C ASP A 128 5.216 11.721 -8.887 1.00 0.00 C ATOM 1508 O ASP A 128 4.908 10.935 -7.989 1.00 0.00 O ATOM 1509 CB ASP A 128 5.480 13.788 -7.502 1.00 0.00 C ATOM 1510 CG ASP A 128 6.986 13.931 -7.588 1.00 0.00 C ATOM 1511 OD1 ASP A 128 7.517 13.944 -8.719 1.00 0.00 O ATOM 1512 OD2 ASP A 128 7.636 14.030 -6.525 1.00 0.00 O ATOM 0 H ASP A 128 3.014 13.537 -7.873 1.00 0.00 H new ATOM 0 HA ASP A 128 5.297 13.720 -9.641 1.00 0.00 H new ATOM 0 HB2 ASP A 128 5.036 14.764 -7.306 1.00 0.00 H new ATOM 0 HB3 ASP A 128 5.227 13.147 -6.657 1.00 0.00 H new ATOM 1516 N CYS A 129 5.852 11.344 -9.990 1.00 0.00 N ATOM 1517 CA CYS A 129 6.234 9.954 -10.217 1.00 0.00 C ATOM 1518 C CYS A 129 7.592 9.655 -9.588 1.00 0.00 C ATOM 1519 O CYS A 129 8.493 9.135 -10.246 1.00 0.00 O ATOM 1520 CB CYS A 129 6.277 9.653 -11.716 1.00 0.00 C ATOM 1521 SG CYS A 129 4.637 9.599 -12.510 1.00 0.00 S ATOM 0 H CYS A 129 6.114 11.981 -10.742 1.00 0.00 H new ATOM 0 HA CYS A 129 5.486 9.316 -9.747 1.00 0.00 H new ATOM 0 HB2 CYS A 129 6.884 10.411 -12.211 1.00 0.00 H new ATOM 0 HB3 CYS A 129 6.775 8.696 -11.870 1.00 0.00 H new ATOM 1525 N THR A 130 7.731 9.986 -8.307 1.00 0.00 N ATOM 1526 CA THR A 130 8.978 9.754 -7.590 1.00 0.00 C ATOM 1527 C THR A 130 8.759 9.795 -6.081 1.00 0.00 C ATOM 1528 O THR A 130 7.734 10.283 -5.606 1.00 0.00 O ATOM 1529 CB THR A 130 10.048 10.795 -7.970 1.00 0.00 C ATOM 1530 OG1 THR A 130 9.423 12.030 -8.331 1.00 0.00 O ATOM 1531 CG2 THR A 130 10.901 10.294 -9.127 1.00 0.00 C ATOM 0 H THR A 130 6.995 10.415 -7.746 1.00 0.00 H new ATOM 0 HA THR A 130 9.329 8.763 -7.878 1.00 0.00 H new ATOM 0 HB THR A 130 10.693 10.955 -7.106 1.00 0.00 H new ATOM 0 HG1 THR A 130 10.110 12.687 -8.570 1.00 0.00 H new ATOM 0 HG21 THR A 130 11.650 11.045 -9.379 1.00 0.00 H new ATOM 0 HG22 THR A 130 11.398 9.368 -8.838 1.00 0.00 H new ATOM 0 HG23 THR A 130 10.266 10.110 -9.994 1.00 0.00 H new ATOM 1539 N SER A 131 9.730 9.280 -5.333 1.00 0.00 N ATOM 1540 CA SER A 131 9.642 9.256 -3.878 1.00 0.00 C ATOM 1541 C SER A 131 10.381 10.443 -3.270 1.00 0.00 C ATOM 1542 O SER A 131 11.515 10.743 -3.646 1.00 0.00 O ATOM 1543 CB SER A 131 10.220 7.948 -3.333 1.00 0.00 C ATOM 1544 OG SER A 131 10.533 8.062 -1.957 1.00 0.00 O ATOM 0 H SER A 131 10.586 8.874 -5.711 1.00 0.00 H new ATOM 0 HA SER A 131 8.590 9.324 -3.601 1.00 0.00 H new ATOM 0 HB2 SER A 131 9.502 7.141 -3.480 1.00 0.00 H new ATOM 0 HB3 SER A 131 11.117 7.683 -3.892 1.00 0.00 H new ATOM 0 HG SER A 131 11.173 7.362 -1.708 1.00 0.00 H new ATOM 1549 N VAL A 132 9.731 11.115 -2.325 1.00 0.00 N ATOM 1550 CA VAL A 132 10.326 12.271 -1.662 1.00 0.00 C ATOM 1551 C VAL A 132 10.242 12.135 -0.146 1.00 0.00 C ATOM 1552 O VAL A 132 11.177 12.492 0.573 1.00 0.00 O ATOM 1553 CB VAL A 132 9.634 13.580 -2.088 1.00 0.00 C ATOM 1554 CG1 VAL A 132 10.043 13.963 -3.502 1.00 0.00 C ATOM 1555 CG2 VAL A 132 8.122 13.443 -1.980 1.00 0.00 C ATOM 0 H VAL A 132 8.793 10.879 -2.001 1.00 0.00 H new ATOM 0 HA VAL A 132 11.373 12.307 -1.965 1.00 0.00 H new ATOM 0 HB VAL A 132 9.953 14.376 -1.415 1.00 0.00 H new ATOM 0 HG11 VAL A 132 9.545 14.890 -3.786 1.00 0.00 H new ATOM 0 HG12 VAL A 132 11.123 14.104 -3.543 1.00 0.00 H new ATOM 0 HG13 VAL A 132 9.755 13.170 -4.192 1.00 0.00 H new ATOM 0 HG21 VAL A 132 7.649 14.377 -2.285 1.00 0.00 H new ATOM 0 HG22 VAL A 132 7.783 12.636 -2.629 1.00 0.00 H new ATOM 0 HG23 VAL A 132 7.850 13.218 -0.949 1.00 0.00 H new ATOM 1565 N THR A 133 9.118 11.617 0.337 1.00 0.00 N ATOM 1566 CA THR A 133 8.913 11.436 1.769 1.00 0.00 C ATOM 1567 C THR A 133 8.997 9.962 2.154 1.00 0.00 C ATOM 1568 O THR A 133 8.813 9.080 1.315 1.00 0.00 O ATOM 1569 CB THR A 133 7.548 11.993 2.216 1.00 0.00 C ATOM 1570 OG1 THR A 133 6.496 11.369 1.470 1.00 0.00 O ATOM 1571 CG2 THR A 133 7.488 13.500 2.021 1.00 0.00 C ATOM 0 H THR A 133 8.335 11.315 -0.243 1.00 0.00 H new ATOM 0 HA THR A 133 9.706 11.988 2.274 1.00 0.00 H new ATOM 0 HB THR A 133 7.421 11.774 3.276 1.00 0.00 H new ATOM 0 HG1 THR A 133 5.632 11.727 1.761 1.00 0.00 H new ATOM 0 HG21 THR A 133 6.515 13.870 2.344 1.00 0.00 H new ATOM 0 HG22 THR A 133 8.271 13.975 2.612 1.00 0.00 H new ATOM 0 HG23 THR A 133 7.635 13.737 0.967 1.00 0.00 H new ATOM 1579 N ASP A 134 9.278 9.704 3.426 1.00 0.00 N ATOM 1580 CA ASP A 134 9.386 8.338 3.922 1.00 0.00 C ATOM 1581 C ASP A 134 8.578 8.159 5.203 1.00 0.00 C ATOM 1582 O ASP A 134 7.968 9.105 5.702 1.00 0.00 O ATOM 1583 CB ASP A 134 10.852 7.978 4.174 1.00 0.00 C ATOM 1584 CG ASP A 134 11.576 7.576 2.905 1.00 0.00 C ATOM 1585 OD1 ASP A 134 11.488 6.390 2.522 1.00 0.00 O ATOM 1586 OD2 ASP A 134 12.231 8.447 2.295 1.00 0.00 O ATOM 0 H ASP A 134 9.435 10.423 4.132 1.00 0.00 H new ATOM 0 HA ASP A 134 8.981 7.669 3.162 1.00 0.00 H new ATOM 0 HB2 ASP A 134 11.360 8.831 4.624 1.00 0.00 H new ATOM 0 HB3 ASP A 134 10.904 7.160 4.893 1.00 0.00 H new ATOM 1590 N LEU A 135 8.578 6.940 5.732 1.00 0.00 N ATOM 1591 CA LEU A 135 7.845 6.638 6.957 1.00 0.00 C ATOM 1592 C LEU A 135 8.163 7.653 8.048 1.00 0.00 C ATOM 1593 O LEU A 135 9.235 8.259 8.073 1.00 0.00 O ATOM 1594 CB LEU A 135 8.183 5.226 7.442 1.00 0.00 C ATOM 1595 CG LEU A 135 8.182 4.132 6.375 1.00 0.00 C ATOM 1596 CD1 LEU A 135 9.601 3.825 5.921 1.00 0.00 C ATOM 1597 CD2 LEU A 135 7.504 2.876 6.900 1.00 0.00 C ATOM 0 H LEU A 135 9.077 6.145 5.332 1.00 0.00 H new ATOM 0 HA LEU A 135 6.779 6.694 6.736 1.00 0.00 H new ATOM 0 HB2 LEU A 135 9.168 5.250 7.908 1.00 0.00 H new ATOM 0 HB3 LEU A 135 7.469 4.949 8.218 1.00 0.00 H new ATOM 0 HG LEU A 135 7.619 4.492 5.514 1.00 0.00 H new ATOM 0 HD11 LEU A 135 9.579 3.044 5.161 1.00 0.00 H new ATOM 0 HD12 LEU A 135 10.052 4.725 5.503 1.00 0.00 H new ATOM 0 HD13 LEU A 135 10.190 3.486 6.773 1.00 0.00 H new ATOM 0 HD21 LEU A 135 7.512 2.108 6.127 1.00 0.00 H new ATOM 0 HD22 LEU A 135 8.039 2.513 7.778 1.00 0.00 H new ATOM 0 HD23 LEU A 135 6.474 3.105 7.172 1.00 0.00 H new ATOM 1608 N PRO A 136 7.213 7.843 8.976 1.00 0.00 N ATOM 1609 CA PRO A 136 7.371 8.784 10.089 1.00 0.00 C ATOM 1610 C PRO A 136 8.405 8.310 11.106 1.00 0.00 C ATOM 1611 O PRO A 136 9.047 9.118 11.775 1.00 0.00 O ATOM 1612 CB PRO A 136 5.977 8.821 10.722 1.00 0.00 C ATOM 1613 CG PRO A 136 5.363 7.513 10.363 1.00 0.00 C ATOM 1614 CD PRO A 136 5.912 7.156 9.008 1.00 0.00 C ATOM 0 HA PRO A 136 7.728 9.757 9.753 1.00 0.00 H new ATOM 0 HB2 PRO A 136 6.036 8.947 11.803 1.00 0.00 H new ATOM 0 HB3 PRO A 136 5.389 9.654 10.336 1.00 0.00 H new ATOM 0 HG2 PRO A 136 5.613 6.749 11.099 1.00 0.00 H new ATOM 0 HG3 PRO A 136 4.276 7.586 10.337 1.00 0.00 H new ATOM 0 HD2 PRO A 136 6.024 6.078 8.891 1.00 0.00 H new ATOM 0 HD3 PRO A 136 5.257 7.498 8.206 1.00 0.00 H new ATOM 1708 N THR A 144 8.512 -4.361 4.062 1.00 0.00 N ATOM 1709 CA THR A 144 9.266 -3.370 3.305 1.00 0.00 C ATOM 1710 C THR A 144 8.421 -2.773 2.186 1.00 0.00 C ATOM 1711 O THR A 144 7.416 -3.355 1.776 1.00 0.00 O ATOM 1712 CB THR A 144 10.544 -3.981 2.697 1.00 0.00 C ATOM 1713 OG1 THR A 144 11.100 -4.945 3.597 1.00 0.00 O ATOM 1714 CG2 THR A 144 11.572 -2.899 2.403 1.00 0.00 C ATOM 0 HA THR A 144 9.545 -2.583 4.005 1.00 0.00 H new ATOM 0 HB THR A 144 10.279 -4.471 1.760 1.00 0.00 H new ATOM 0 HG1 THR A 144 10.420 -5.213 4.250 1.00 0.00 H new ATOM 0 HG21 THR A 144 12.466 -3.353 1.975 1.00 0.00 H new ATOM 0 HG22 THR A 144 11.154 -2.183 1.696 1.00 0.00 H new ATOM 0 HG23 THR A 144 11.834 -2.385 3.328 1.00 0.00 H new ATOM 1722 N ILE A 145 8.832 -1.609 1.697 1.00 0.00 N ATOM 1723 CA ILE A 145 8.113 -0.933 0.625 1.00 0.00 C ATOM 1724 C ILE A 145 9.071 -0.432 -0.451 1.00 0.00 C ATOM 1725 O ILE A 145 10.220 -0.092 -0.165 1.00 0.00 O ATOM 1726 CB ILE A 145 7.291 0.255 1.158 1.00 0.00 C ATOM 1727 CG1 ILE A 145 8.213 1.291 1.804 1.00 0.00 C ATOM 1728 CG2 ILE A 145 6.248 -0.227 2.155 1.00 0.00 C ATOM 1729 CD1 ILE A 145 8.636 2.395 0.859 1.00 0.00 C ATOM 0 H ILE A 145 9.660 -1.114 2.027 1.00 0.00 H new ATOM 0 HA ILE A 145 7.435 -1.667 0.190 1.00 0.00 H new ATOM 0 HB ILE A 145 6.775 0.726 0.321 1.00 0.00 H new ATOM 0 HG12 ILE A 145 7.706 1.732 2.662 1.00 0.00 H new ATOM 0 HG13 ILE A 145 9.102 0.788 2.184 1.00 0.00 H new ATOM 0 HG21 ILE A 145 5.675 0.624 2.523 1.00 0.00 H new ATOM 0 HG22 ILE A 145 5.576 -0.932 1.666 1.00 0.00 H new ATOM 0 HG23 ILE A 145 6.744 -0.719 2.992 1.00 0.00 H new ATOM 0 HD11 ILE A 145 9.288 3.093 1.384 1.00 0.00 H new ATOM 0 HD12 ILE A 145 9.172 1.964 0.013 1.00 0.00 H new ATOM 0 HD13 ILE A 145 7.753 2.924 0.499 1.00 0.00 H new ATOM 1740 N THR A 146 8.590 -0.386 -1.689 1.00 0.00 N ATOM 1741 CA THR A 146 9.405 0.074 -2.808 1.00 0.00 C ATOM 1742 C THR A 146 8.637 1.068 -3.673 1.00 0.00 C ATOM 1743 O THR A 146 7.660 0.709 -4.330 1.00 0.00 O ATOM 1744 CB THR A 146 9.867 -1.103 -3.687 1.00 0.00 C ATOM 1745 OG1 THR A 146 9.948 -2.299 -2.903 1.00 0.00 O ATOM 1746 CG2 THR A 146 11.222 -0.810 -4.314 1.00 0.00 C ATOM 0 H THR A 146 7.641 -0.661 -1.943 1.00 0.00 H new ATOM 0 HA THR A 146 10.280 0.565 -2.382 1.00 0.00 H new ATOM 0 HB THR A 146 9.136 -1.241 -4.484 1.00 0.00 H new ATOM 0 HG1 THR A 146 10.241 -3.043 -3.470 1.00 0.00 H new ATOM 0 HG21 THR A 146 11.528 -1.655 -4.930 1.00 0.00 H new ATOM 0 HG22 THR A 146 11.151 0.084 -4.934 1.00 0.00 H new ATOM 0 HG23 THR A 146 11.959 -0.648 -3.528 1.00 0.00 H new ATOM 1754 N ILE A 147 9.086 2.318 -3.668 1.00 0.00 N ATOM 1755 CA ILE A 147 8.444 3.364 -4.452 1.00 0.00 C ATOM 1756 C ILE A 147 9.081 3.485 -5.833 1.00 0.00 C ATOM 1757 O ILE A 147 10.219 3.065 -6.043 1.00 0.00 O ATOM 1758 CB ILE A 147 8.518 4.729 -3.744 1.00 0.00 C ATOM 1759 CG1 ILE A 147 8.230 4.567 -2.249 1.00 0.00 C ATOM 1760 CG2 ILE A 147 7.541 5.708 -4.375 1.00 0.00 C ATOM 1761 CD1 ILE A 147 9.478 4.498 -1.396 1.00 0.00 C ATOM 0 H ILE A 147 9.893 2.631 -3.129 1.00 0.00 H new ATOM 0 HA ILE A 147 7.398 3.078 -4.559 1.00 0.00 H new ATOM 0 HB ILE A 147 9.525 5.129 -3.860 1.00 0.00 H new ATOM 0 HG12 ILE A 147 7.616 5.403 -1.913 1.00 0.00 H new ATOM 0 HG13 ILE A 147 7.645 3.660 -2.096 1.00 0.00 H new ATOM 0 HG21 ILE A 147 7.606 6.668 -3.863 1.00 0.00 H new ATOM 0 HG22 ILE A 147 7.788 5.841 -5.428 1.00 0.00 H new ATOM 0 HG23 ILE A 147 6.527 5.318 -4.287 1.00 0.00 H new ATOM 0 HD11 ILE A 147 9.197 4.383 -0.349 1.00 0.00 H new ATOM 0 HD12 ILE A 147 10.083 3.646 -1.705 1.00 0.00 H new ATOM 0 HD13 ILE A 147 10.054 5.415 -1.519 1.00 0.00 H new ATOM 1772 N VAL A 148 8.339 4.065 -6.772 1.00 0.00 N ATOM 1773 CA VAL A 148 8.834 4.244 -8.133 1.00 0.00 C ATOM 1774 C VAL A 148 9.769 5.445 -8.223 1.00 0.00 C ATOM 1775 O VAL A 148 9.505 6.495 -7.640 1.00 0.00 O ATOM 1776 CB VAL A 148 7.675 4.435 -9.129 1.00 0.00 C ATOM 1777 CG1 VAL A 148 6.852 5.661 -8.764 1.00 0.00 C ATOM 1778 CG2 VAL A 148 8.208 4.544 -10.550 1.00 0.00 C ATOM 0 H VAL A 148 7.395 4.418 -6.616 1.00 0.00 H new ATOM 0 HA VAL A 148 9.383 3.339 -8.393 1.00 0.00 H new ATOM 0 HB VAL A 148 7.024 3.562 -9.074 1.00 0.00 H new ATOM 0 HG11 VAL A 148 6.038 5.779 -9.479 1.00 0.00 H new ATOM 0 HG12 VAL A 148 6.440 5.538 -7.762 1.00 0.00 H new ATOM 0 HG13 VAL A 148 7.488 6.546 -8.788 1.00 0.00 H new ATOM 0 HG21 VAL A 148 7.376 4.679 -11.241 1.00 0.00 H new ATOM 0 HG22 VAL A 148 8.881 5.398 -10.622 1.00 0.00 H new ATOM 0 HG23 VAL A 148 8.749 3.633 -10.806 1.00 0.00 H new