USER MOD reduce.3.24.130724 H: found=0, std=0, add=992, rem=0, adj=38 USER MOD reduce.3.24.130724 removed 990 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 85 THR OG1 : rot 180:sc= -0.0221 USER MOD Set 1.2: A 117 THR OG1 : rot 180:sc= -0.724 USER MOD Set 2.1: A 21 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0485) USER MOD Set 2.2: A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot -57:sc= 0.00184 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 16 ASN : amide:sc= -0.315 X(o=-0.32,f=-0.42) USER MOD Single : A 22 LYS NZ :NH3+ 151:sc= -3.32! (180deg=-5.21!) USER MOD Single : A 31 SER OG : rot 19:sc= 0.143 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ -152:sc= -0.167 (180deg=-0.666) USER MOD Single : A 38 GLN :FLIP amide:sc= -2.19 F(o=-3.1,f=-2.2) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 HIS :FLIP no HD1:sc= -2.88 F(o=-3.9!,f=-2.9) USER MOD Single : A 45 GLN :FLIP amide:sc= -0.012 F(o=-1.8!,f=-0.012) USER MOD Single : A 46 THR OG1 : rot 174:sc= -0.439 USER MOD Single : A 47 SER OG : rot 180:sc= -0.012 USER MOD Single : A 50 ASN : amide:sc= -0.442 X(o=-0.44,f=-0.031) USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 GLN : amide:sc= -1.28 K(o=-1.3,f=-3.2!) USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 CYS SG : rot 180:sc= 0 USER MOD Single : A 71 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 76 SER OG : rot -49:sc= 0.285 USER MOD Single : A 80 MET CE :methyl 146:sc= -1.51 (180deg=-3.69!) USER MOD Single : A 87 MET CE :methyl 161:sc= -0.286 (180deg=-0.855) USER MOD Single : A 89 THR OG1 : rot -81:sc= 0.158 USER MOD Single : A 92 SER OG : rot -99:sc= -0.067 USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 TYR OH : rot 180:sc= 0 USER MOD Single : A 95 CYS SG : rot 67:sc= -0.201 USER MOD Single : A 96 TYR OH : rot 180:sc= 0 USER MOD Single : A 99 GLN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 101 SER OG : rot 148:sc= 1.67 USER MOD Single : A 103 SER OG : rot 51:sc= 1.28 USER MOD Single : A 105 TYR OH : rot 180:sc= 0 USER MOD Single : A 109 HIS : no HD1:sc= -0.554 X(o=-0.55,f=-0.059) USER MOD Single : A 113 CYS SG : rot 180:sc=-0.000981 USER MOD Single : A 119 LYS NZ :NH3+ -120:sc= -1.25 (180deg=-2!) USER MOD Single : A 120 THR OG1 : rot 180:sc= 0 USER MOD Single : A 129 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 130 SER OG : rot 180:sc= 0 USER MOD Single : A 133 SER OG : rot 180:sc= 0 USER MOD Single : A 134 SER OG : rot -57:sc= 0.172 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -26.860 -17.903 -1.697 1.00 0.00 N ATOM 2 CA GLY A 1 -25.860 -18.932 -1.912 1.00 0.00 C ATOM 3 C GLY A 1 -25.392 -19.564 -0.616 1.00 0.00 C ATOM 4 O GLY A 1 -26.198 -20.078 0.159 1.00 0.00 O ATOM 0 H1 GLY A 1 -27.148 -17.502 -2.612 1.00 0.00 H new ATOM 0 H2 GLY A 1 -27.689 -18.318 -1.225 1.00 0.00 H new ATOM 0 H3 GLY A 1 -26.461 -17.151 -1.099 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -26.272 -19.704 -2.562 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -25.005 -18.500 -2.432 1.00 0.00 H new ATOM 8 N SER A 2 -24.084 -19.529 -0.381 1.00 0.00 N ATOM 9 CA SER A 2 -23.509 -20.107 0.828 1.00 0.00 C ATOM 10 C SER A 2 -22.978 -19.017 1.753 1.00 0.00 C ATOM 11 O SER A 2 -23.270 -19.005 2.949 1.00 0.00 O ATOM 12 CB SER A 2 -22.383 -21.079 0.468 1.00 0.00 C ATOM 13 OG SER A 2 -22.902 -22.335 0.068 1.00 0.00 O ATOM 0 H SER A 2 -23.403 -19.107 -1.012 1.00 0.00 H new ATOM 0 HA SER A 2 -24.296 -20.650 1.351 1.00 0.00 H new ATOM 0 HB2 SER A 2 -21.779 -20.659 -0.336 1.00 0.00 H new ATOM 0 HB3 SER A 2 -21.724 -21.211 1.326 1.00 0.00 H new ATOM 0 HG SER A 2 -22.163 -22.937 -0.158 1.00 0.00 H new ATOM 19 N SER A 3 -22.197 -18.100 1.190 1.00 0.00 N ATOM 20 CA SER A 3 -21.622 -17.006 1.964 1.00 0.00 C ATOM 21 C SER A 3 -20.782 -17.542 3.120 1.00 0.00 C ATOM 22 O SER A 3 -20.840 -17.025 4.236 1.00 0.00 O ATOM 23 CB SER A 3 -22.728 -16.096 2.501 1.00 0.00 C ATOM 24 OG SER A 3 -22.226 -14.806 2.801 1.00 0.00 O ATOM 0 H SER A 3 -21.948 -18.093 0.201 1.00 0.00 H new ATOM 0 HA SER A 3 -20.975 -16.428 1.304 1.00 0.00 H new ATOM 0 HB2 SER A 3 -23.527 -16.016 1.764 1.00 0.00 H new ATOM 0 HB3 SER A 3 -23.163 -16.538 3.397 1.00 0.00 H new ATOM 0 HG SER A 3 -21.493 -14.882 3.447 1.00 0.00 H new ATOM 30 N GLY A 4 -20.002 -18.582 2.845 1.00 0.00 N ATOM 31 CA GLY A 4 -19.161 -19.172 3.871 1.00 0.00 C ATOM 32 C GLY A 4 -17.700 -19.212 3.471 1.00 0.00 C ATOM 33 O GLY A 4 -17.372 -19.165 2.285 1.00 0.00 O ATOM 0 H GLY A 4 -19.937 -19.027 1.930 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -19.266 -18.602 4.794 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -19.505 -20.185 4.080 1.00 0.00 H new ATOM 37 N SER A 5 -16.818 -19.297 4.462 1.00 0.00 N ATOM 38 CA SER A 5 -15.383 -19.338 4.207 1.00 0.00 C ATOM 39 C SER A 5 -14.634 -19.907 5.409 1.00 0.00 C ATOM 40 O SER A 5 -14.982 -19.633 6.557 1.00 0.00 O ATOM 41 CB SER A 5 -14.861 -17.937 3.883 1.00 0.00 C ATOM 42 OG SER A 5 -13.558 -17.994 3.330 1.00 0.00 O ATOM 0 H SER A 5 -17.072 -19.339 5.449 1.00 0.00 H new ATOM 0 HA SER A 5 -15.209 -19.990 3.351 1.00 0.00 H new ATOM 0 HB2 SER A 5 -15.536 -17.447 3.181 1.00 0.00 H new ATOM 0 HB3 SER A 5 -14.849 -17.331 4.789 1.00 0.00 H new ATOM 0 HG SER A 5 -13.248 -17.086 3.130 1.00 0.00 H new ATOM 48 N SER A 6 -13.604 -20.701 5.134 1.00 0.00 N ATOM 49 CA SER A 6 -12.808 -21.313 6.191 1.00 0.00 C ATOM 50 C SER A 6 -11.407 -20.709 6.235 1.00 0.00 C ATOM 51 O SER A 6 -10.701 -20.677 5.228 1.00 0.00 O ATOM 52 CB SER A 6 -12.717 -22.825 5.981 1.00 0.00 C ATOM 53 OG SER A 6 -11.841 -23.420 6.923 1.00 0.00 O ATOM 0 H SER A 6 -13.301 -20.935 4.189 1.00 0.00 H new ATOM 0 HA SER A 6 -13.301 -21.115 7.143 1.00 0.00 H new ATOM 0 HB2 SER A 6 -13.709 -23.268 6.072 1.00 0.00 H new ATOM 0 HB3 SER A 6 -12.366 -23.034 4.971 1.00 0.00 H new ATOM 0 HG SER A 6 -11.802 -24.387 6.768 1.00 0.00 H new ATOM 59 N GLY A 7 -11.012 -20.230 7.411 1.00 0.00 N ATOM 60 CA GLY A 7 -9.698 -19.633 7.565 1.00 0.00 C ATOM 61 C GLY A 7 -9.764 -18.132 7.767 1.00 0.00 C ATOM 62 O GLY A 7 -10.002 -17.382 6.821 1.00 0.00 O ATOM 0 H GLY A 7 -11.578 -20.245 8.259 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -9.192 -20.089 8.416 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -9.097 -19.852 6.682 1.00 0.00 H new ATOM 66 N GLU A 8 -9.553 -17.693 9.004 1.00 0.00 N ATOM 67 CA GLU A 8 -9.591 -16.272 9.327 1.00 0.00 C ATOM 68 C GLU A 8 -8.225 -15.628 9.112 1.00 0.00 C ATOM 69 O GLU A 8 -7.755 -14.853 9.945 1.00 0.00 O ATOM 70 CB GLU A 8 -10.042 -16.067 10.775 1.00 0.00 C ATOM 71 CG GLU A 8 -9.030 -16.548 11.801 1.00 0.00 C ATOM 72 CD GLU A 8 -9.634 -16.718 13.181 1.00 0.00 C ATOM 73 OE1 GLU A 8 -10.654 -17.429 13.300 1.00 0.00 O ATOM 74 OE2 GLU A 8 -9.087 -16.139 14.143 1.00 0.00 O ATOM 0 H GLU A 8 -9.354 -18.301 9.798 1.00 0.00 H new ATOM 0 HA GLU A 8 -10.308 -15.793 8.660 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -10.238 -15.007 10.939 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -10.984 -16.593 10.931 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -8.610 -17.499 11.473 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -8.206 -15.836 11.854 1.00 0.00 H new ATOM 81 N GLU A 9 -7.593 -15.955 7.989 1.00 0.00 N ATOM 82 CA GLU A 9 -6.280 -15.409 7.665 1.00 0.00 C ATOM 83 C GLU A 9 -6.401 -14.245 6.686 1.00 0.00 C ATOM 84 O GLU A 9 -7.504 -13.814 6.351 1.00 0.00 O ATOM 85 CB GLU A 9 -5.383 -16.498 7.072 1.00 0.00 C ATOM 86 CG GLU A 9 -6.036 -17.275 5.942 1.00 0.00 C ATOM 87 CD GLU A 9 -5.140 -18.368 5.392 1.00 0.00 C ATOM 88 OE1 GLU A 9 -3.908 -18.165 5.362 1.00 0.00 O ATOM 89 OE2 GLU A 9 -5.670 -19.425 4.992 1.00 0.00 O ATOM 0 H GLU A 9 -7.969 -16.595 7.289 1.00 0.00 H new ATOM 0 HA GLU A 9 -5.831 -15.040 8.587 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -4.465 -16.040 6.704 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -5.098 -17.193 7.862 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -6.965 -17.718 6.300 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -6.300 -16.588 5.138 1.00 0.00 H new ATOM 96 N TRP A 10 -5.259 -13.740 6.233 1.00 0.00 N ATOM 97 CA TRP A 10 -5.236 -12.625 5.293 1.00 0.00 C ATOM 98 C TRP A 10 -6.296 -12.803 4.212 1.00 0.00 C ATOM 99 O TRP A 10 -6.849 -13.890 4.044 1.00 0.00 O ATOM 100 CB TRP A 10 -3.853 -12.500 4.653 1.00 0.00 C ATOM 101 CG TRP A 10 -2.802 -12.005 5.600 1.00 0.00 C ATOM 102 CD1 TRP A 10 -2.320 -12.654 6.701 1.00 0.00 C ATOM 103 CD2 TRP A 10 -2.106 -10.756 5.532 1.00 0.00 C ATOM 104 NE1 TRP A 10 -1.366 -11.884 7.321 1.00 0.00 N ATOM 105 CE2 TRP A 10 -1.215 -10.715 6.623 1.00 0.00 C ATOM 106 CE3 TRP A 10 -2.146 -9.669 4.655 1.00 0.00 C ATOM 107 CZ2 TRP A 10 -0.376 -9.630 6.858 1.00 0.00 C ATOM 108 CZ3 TRP A 10 -1.312 -8.592 4.889 1.00 0.00 C ATOM 109 CH2 TRP A 10 -0.436 -8.579 5.983 1.00 0.00 C ATOM 0 H TRP A 10 -4.337 -14.085 6.501 1.00 0.00 H new ATOM 0 HA TRP A 10 -5.457 -11.712 5.845 1.00 0.00 H new ATOM 0 HB2 TRP A 10 -3.552 -13.472 4.263 1.00 0.00 H new ATOM 0 HB3 TRP A 10 -3.914 -11.821 3.803 1.00 0.00 H new ATOM 0 HD1 TRP A 10 -2.642 -13.629 7.035 1.00 0.00 H new ATOM 0 HE1 TRP A 10 -0.853 -12.141 8.164 1.00 0.00 H new ATOM 0 HE3 TRP A 10 -2.817 -9.670 3.809 1.00 0.00 H new ATOM 0 HZ2 TRP A 10 0.299 -9.618 7.701 1.00 0.00 H new ATOM 0 HZ3 TRP A 10 -1.336 -7.746 4.218 1.00 0.00 H new ATOM 0 HH2 TRP A 10 0.204 -7.723 6.139 1.00 0.00 H new ATOM 120 N LEU A 11 -6.575 -11.729 3.481 1.00 0.00 N ATOM 121 CA LEU A 11 -7.570 -11.767 2.415 1.00 0.00 C ATOM 122 C LEU A 11 -6.900 -11.877 1.049 1.00 0.00 C ATOM 123 O LEU A 11 -5.981 -11.121 0.734 1.00 0.00 O ATOM 124 CB LEU A 11 -8.448 -10.516 2.465 1.00 0.00 C ATOM 125 CG LEU A 11 -9.246 -10.204 1.199 1.00 0.00 C ATOM 126 CD1 LEU A 11 -10.533 -9.471 1.545 1.00 0.00 C ATOM 127 CD2 LEU A 11 -8.408 -9.386 0.228 1.00 0.00 C ATOM 0 H LEU A 11 -6.126 -10.822 3.607 1.00 0.00 H new ATOM 0 HA LEU A 11 -8.194 -12.648 2.566 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -9.147 -10.621 3.294 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -7.812 -9.659 2.690 1.00 0.00 H new ATOM 0 HG LEU A 11 -9.508 -11.146 0.717 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -11.087 -9.258 0.631 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -11.141 -10.094 2.201 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -10.294 -8.536 2.051 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -8.992 -9.173 -0.667 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -8.114 -8.449 0.701 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -7.516 -9.949 -0.046 1.00 0.00 H new ATOM 139 N ASP A 12 -7.368 -12.823 0.241 1.00 0.00 N ATOM 140 CA ASP A 12 -6.816 -13.030 -1.093 1.00 0.00 C ATOM 141 C ASP A 12 -7.450 -12.072 -2.097 1.00 0.00 C ATOM 142 O ASP A 12 -8.580 -12.279 -2.539 1.00 0.00 O ATOM 143 CB ASP A 12 -7.036 -14.476 -1.540 1.00 0.00 C ATOM 144 CG ASP A 12 -8.384 -15.018 -1.105 1.00 0.00 C ATOM 145 OD1 ASP A 12 -9.371 -14.808 -1.840 1.00 0.00 O ATOM 146 OD2 ASP A 12 -8.451 -15.651 -0.031 1.00 0.00 O ATOM 0 H ASP A 12 -8.128 -13.458 0.487 1.00 0.00 H new ATOM 0 HA ASP A 12 -5.745 -12.830 -1.052 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -6.958 -14.533 -2.626 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -6.245 -15.104 -1.130 1.00 0.00 H new ATOM 151 N ILE A 13 -6.714 -11.025 -2.453 1.00 0.00 N ATOM 152 CA ILE A 13 -7.204 -10.036 -3.406 1.00 0.00 C ATOM 153 C ILE A 13 -7.206 -10.594 -4.825 1.00 0.00 C ATOM 154 O ILE A 13 -8.125 -10.335 -5.604 1.00 0.00 O ATOM 155 CB ILE A 13 -6.353 -8.752 -3.372 1.00 0.00 C ATOM 156 CG1 ILE A 13 -6.507 -8.048 -2.022 1.00 0.00 C ATOM 157 CG2 ILE A 13 -6.751 -7.823 -4.509 1.00 0.00 C ATOM 158 CD1 ILE A 13 -5.522 -6.919 -1.815 1.00 0.00 C ATOM 0 H ILE A 13 -5.777 -10.839 -2.096 1.00 0.00 H new ATOM 0 HA ILE A 13 -8.225 -9.793 -3.112 1.00 0.00 H new ATOM 0 HB ILE A 13 -5.305 -9.024 -3.501 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -7.520 -7.655 -1.939 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -6.383 -8.779 -1.223 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -6.141 -6.920 -4.472 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -6.595 -8.327 -5.463 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -7.803 -7.555 -4.408 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -5.689 -6.465 -0.838 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -4.505 -7.309 -1.865 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -5.661 -6.168 -2.592 1.00 0.00 H new ATOM 170 N LEU A 14 -6.174 -11.362 -5.155 1.00 0.00 N ATOM 171 CA LEU A 14 -6.057 -11.959 -6.481 1.00 0.00 C ATOM 172 C LEU A 14 -6.526 -13.410 -6.467 1.00 0.00 C ATOM 173 O LEU A 14 -7.033 -13.918 -7.466 1.00 0.00 O ATOM 174 CB LEU A 14 -4.609 -11.883 -6.970 1.00 0.00 C ATOM 175 CG LEU A 14 -4.026 -10.478 -7.125 1.00 0.00 C ATOM 176 CD1 LEU A 14 -2.509 -10.516 -7.025 1.00 0.00 C ATOM 177 CD2 LEU A 14 -4.460 -9.863 -8.447 1.00 0.00 C ATOM 0 H LEU A 14 -5.406 -11.586 -4.523 1.00 0.00 H new ATOM 0 HA LEU A 14 -6.694 -11.397 -7.164 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -3.982 -12.440 -6.274 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -4.545 -12.390 -7.933 1.00 0.00 H new ATOM 0 HG LEU A 14 -4.408 -9.856 -6.316 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -2.112 -9.507 -7.138 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -2.218 -10.914 -6.053 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -2.108 -11.154 -7.813 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -4.036 -8.863 -8.540 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -4.108 -10.485 -9.270 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -5.548 -9.800 -8.479 1.00 0.00 H new ATOM 189 N GLY A 15 -6.354 -14.072 -5.327 1.00 0.00 N ATOM 190 CA GLY A 15 -6.767 -15.458 -5.205 1.00 0.00 C ATOM 191 C GLY A 15 -5.589 -16.412 -5.163 1.00 0.00 C ATOM 192 O GLY A 15 -5.619 -17.414 -4.451 1.00 0.00 O ATOM 0 H GLY A 15 -5.936 -13.674 -4.486 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -7.361 -15.579 -4.299 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -7.411 -15.717 -6.045 1.00 0.00 H new ATOM 196 N ASN A 16 -4.550 -16.100 -5.931 1.00 0.00 N ATOM 197 CA ASN A 16 -3.358 -16.939 -5.981 1.00 0.00 C ATOM 198 C ASN A 16 -2.745 -17.096 -4.593 1.00 0.00 C ATOM 199 O ASN A 16 -2.524 -18.211 -4.123 1.00 0.00 O ATOM 200 CB ASN A 16 -2.329 -16.342 -6.942 1.00 0.00 C ATOM 201 CG ASN A 16 -2.971 -15.735 -8.174 1.00 0.00 C ATOM 202 OD1 ASN A 16 -3.876 -16.321 -8.768 1.00 0.00 O ATOM 203 ND2 ASN A 16 -2.505 -14.554 -8.564 1.00 0.00 N ATOM 0 H ASN A 16 -4.509 -15.273 -6.527 1.00 0.00 H new ATOM 0 HA ASN A 16 -3.652 -17.925 -6.342 1.00 0.00 H new ATOM 0 HB2 ASN A 16 -1.752 -15.577 -6.422 1.00 0.00 H new ATOM 0 HB3 ASN A 16 -1.627 -17.119 -7.247 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -2.899 -14.097 -9.386 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -1.753 -14.104 -8.041 1.00 0.00 H new ATOM 210 N GLY A 17 -2.471 -15.969 -3.942 1.00 0.00 N ATOM 211 CA GLY A 17 -1.886 -16.002 -2.615 1.00 0.00 C ATOM 212 C GLY A 17 -0.778 -14.982 -2.443 1.00 0.00 C ATOM 213 O GLY A 17 -0.385 -14.664 -1.320 1.00 0.00 O ATOM 0 H GLY A 17 -2.644 -15.034 -4.311 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -2.664 -15.817 -1.874 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -1.491 -16.999 -2.420 1.00 0.00 H new ATOM 217 N LEU A 18 -0.272 -14.468 -3.559 1.00 0.00 N ATOM 218 CA LEU A 18 0.798 -13.477 -3.528 1.00 0.00 C ATOM 219 C LEU A 18 0.335 -12.196 -2.843 1.00 0.00 C ATOM 220 O LEU A 18 0.782 -11.870 -1.742 1.00 0.00 O ATOM 221 CB LEU A 18 1.274 -13.167 -4.948 1.00 0.00 C ATOM 222 CG LEU A 18 2.199 -14.203 -5.588 1.00 0.00 C ATOM 223 CD1 LEU A 18 3.474 -14.356 -4.773 1.00 0.00 C ATOM 224 CD2 LEU A 18 1.487 -15.542 -5.723 1.00 0.00 C ATOM 0 H LEU A 18 -0.585 -14.721 -4.496 1.00 0.00 H new ATOM 0 HA LEU A 18 1.628 -13.892 -2.956 1.00 0.00 H new ATOM 0 HB2 LEU A 18 0.398 -13.049 -5.586 1.00 0.00 H new ATOM 0 HB3 LEU A 18 1.791 -12.207 -4.935 1.00 0.00 H new ATOM 0 HG LEU A 18 2.469 -13.855 -6.585 1.00 0.00 H new ATOM 0 HD11 LEU A 18 4.120 -15.097 -5.244 1.00 0.00 H new ATOM 0 HD12 LEU A 18 3.994 -13.399 -4.727 1.00 0.00 H new ATOM 0 HD13 LEU A 18 3.224 -14.682 -3.763 1.00 0.00 H new ATOM 0 HD21 LEU A 18 2.160 -16.267 -6.180 1.00 0.00 H new ATOM 0 HD22 LEU A 18 1.188 -15.896 -4.736 1.00 0.00 H new ATOM 0 HD23 LEU A 18 0.603 -15.422 -6.349 1.00 0.00 H new ATOM 236 N LEU A 19 -0.565 -11.472 -3.499 1.00 0.00 N ATOM 237 CA LEU A 19 -1.092 -10.226 -2.953 1.00 0.00 C ATOM 238 C LEU A 19 -2.112 -10.502 -1.854 1.00 0.00 C ATOM 239 O LEU A 19 -3.101 -11.203 -2.072 1.00 0.00 O ATOM 240 CB LEU A 19 -1.733 -9.391 -4.062 1.00 0.00 C ATOM 241 CG LEU A 19 -2.287 -8.029 -3.642 1.00 0.00 C ATOM 242 CD1 LEU A 19 -1.164 -7.116 -3.177 1.00 0.00 C ATOM 243 CD2 LEU A 19 -3.057 -7.389 -4.788 1.00 0.00 C ATOM 0 H LEU A 19 -0.945 -11.727 -4.411 1.00 0.00 H new ATOM 0 HA LEU A 19 -0.262 -9.668 -2.521 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -0.992 -9.233 -4.845 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -2.544 -9.970 -4.503 1.00 0.00 H new ATOM 0 HG LEU A 19 -2.974 -8.180 -2.809 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -1.578 -6.152 -2.882 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -0.656 -7.569 -2.325 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -0.452 -6.972 -3.990 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -3.444 -6.421 -4.470 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -2.393 -7.252 -5.641 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -3.887 -8.035 -5.074 1.00 0.00 H new ATOM 255 N ARG A 20 -1.867 -9.945 -0.672 1.00 0.00 N ATOM 256 CA ARG A 20 -2.765 -10.131 0.461 1.00 0.00 C ATOM 257 C ARG A 20 -3.080 -8.796 1.130 1.00 0.00 C ATOM 258 O ARG A 20 -2.298 -7.848 1.046 1.00 0.00 O ATOM 259 CB ARG A 20 -2.145 -11.089 1.479 1.00 0.00 C ATOM 260 CG ARG A 20 -2.056 -12.525 0.988 1.00 0.00 C ATOM 261 CD ARG A 20 -0.932 -13.281 1.679 1.00 0.00 C ATOM 262 NE ARG A 20 0.351 -13.089 1.007 1.00 0.00 N ATOM 263 CZ ARG A 20 1.526 -13.283 1.596 1.00 0.00 C ATOM 264 NH1 ARG A 20 1.579 -13.673 2.862 1.00 0.00 N ATOM 265 NH2 ARG A 20 2.650 -13.087 0.919 1.00 0.00 N ATOM 0 H ARG A 20 -1.054 -9.361 -0.475 1.00 0.00 H new ATOM 0 HA ARG A 20 -3.695 -10.560 0.088 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -1.145 -10.738 1.733 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -2.734 -11.063 2.396 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -3.003 -13.032 1.170 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -1.893 -12.533 -0.090 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -0.853 -12.947 2.714 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -1.172 -14.344 1.705 1.00 0.00 H new ATOM 0 HE ARG A 20 0.344 -12.790 0.032 1.00 0.00 H new ATOM 0 HH11 ARG A 20 0.717 -13.825 3.385 1.00 0.00 H new ATOM 0 HH12 ARG A 20 2.482 -13.821 3.313 1.00 0.00 H new ATOM 0 HH21 ARG A 20 2.613 -12.787 -0.055 1.00 0.00 H new ATOM 0 HH22 ARG A 20 3.551 -13.236 1.373 1.00 0.00 H new ATOM 279 N LYS A 21 -4.229 -8.728 1.792 1.00 0.00 N ATOM 280 CA LYS A 21 -4.648 -7.510 2.476 1.00 0.00 C ATOM 281 C LYS A 21 -5.018 -7.801 3.927 1.00 0.00 C ATOM 282 O LYS A 21 -5.713 -8.775 4.219 1.00 0.00 O ATOM 283 CB LYS A 21 -5.839 -6.878 1.752 1.00 0.00 C ATOM 284 CG LYS A 21 -6.007 -5.396 2.037 1.00 0.00 C ATOM 285 CD LYS A 21 -7.253 -4.837 1.370 1.00 0.00 C ATOM 286 CE LYS A 21 -8.506 -5.163 2.169 1.00 0.00 C ATOM 287 NZ LYS A 21 -8.629 -4.308 3.382 1.00 0.00 N ATOM 0 H LYS A 21 -4.888 -9.503 1.870 1.00 0.00 H new ATOM 0 HA LYS A 21 -3.812 -6.811 2.466 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -5.719 -7.022 0.678 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -6.750 -7.401 2.043 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -6.067 -5.236 3.114 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -5.130 -4.855 1.683 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -7.158 -3.756 1.266 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -7.344 -5.248 0.364 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -9.384 -5.027 1.538 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -8.485 -6.212 2.465 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -9.564 -4.452 3.815 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -7.888 -4.565 4.065 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -8.521 -3.309 3.115 1.00 0.00 H new ATOM 301 N LYS A 22 -4.550 -6.950 4.834 1.00 0.00 N ATOM 302 CA LYS A 22 -4.834 -7.113 6.255 1.00 0.00 C ATOM 303 C LYS A 22 -5.200 -5.777 6.894 1.00 0.00 C ATOM 304 O LYS A 22 -4.348 -4.904 7.065 1.00 0.00 O ATOM 305 CB LYS A 22 -3.624 -7.718 6.971 1.00 0.00 C ATOM 306 CG LYS A 22 -3.894 -8.079 8.422 1.00 0.00 C ATOM 307 CD LYS A 22 -2.610 -8.422 9.159 1.00 0.00 C ATOM 308 CE LYS A 22 -1.988 -7.191 9.798 1.00 0.00 C ATOM 309 NZ LYS A 22 -2.476 -6.982 11.190 1.00 0.00 N ATOM 0 H LYS A 22 -3.972 -6.140 4.610 1.00 0.00 H new ATOM 0 HA LYS A 22 -5.684 -7.788 6.355 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -3.306 -8.613 6.436 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -2.796 -7.010 6.929 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -4.389 -7.245 8.920 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -4.578 -8.927 8.466 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -2.818 -9.166 9.928 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -1.900 -8.871 8.465 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -0.903 -7.295 9.805 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -2.220 -6.313 9.196 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -1.742 -6.500 11.747 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -3.336 -6.398 11.172 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -2.691 -7.902 11.624 1.00 0.00 H new ATOM 323 N THR A 23 -6.472 -5.623 7.246 1.00 0.00 N ATOM 324 CA THR A 23 -6.951 -4.394 7.867 1.00 0.00 C ATOM 325 C THR A 23 -6.344 -4.205 9.252 1.00 0.00 C ATOM 326 O THR A 23 -6.761 -4.847 10.217 1.00 0.00 O ATOM 327 CB THR A 23 -8.487 -4.386 7.986 1.00 0.00 C ATOM 328 OG1 THR A 23 -9.078 -4.672 6.713 1.00 0.00 O ATOM 329 CG2 THR A 23 -8.983 -3.039 8.491 1.00 0.00 C ATOM 0 H THR A 23 -7.190 -6.335 7.112 1.00 0.00 H new ATOM 0 HA THR A 23 -6.640 -3.572 7.222 1.00 0.00 H new ATOM 0 HB THR A 23 -8.779 -5.154 8.702 1.00 0.00 H new ATOM 0 HG1 THR A 23 -10.054 -4.667 6.797 1.00 0.00 H new ATOM 0 HG21 THR A 23 -10.070 -3.057 8.567 1.00 0.00 H new ATOM 0 HG22 THR A 23 -8.554 -2.838 9.473 1.00 0.00 H new ATOM 0 HG23 THR A 23 -8.681 -2.256 7.796 1.00 0.00 H new ATOM 337 N LEU A 24 -5.357 -3.320 9.345 1.00 0.00 N ATOM 338 CA LEU A 24 -4.693 -3.046 10.614 1.00 0.00 C ATOM 339 C LEU A 24 -5.559 -2.158 11.502 1.00 0.00 C ATOM 340 O LEU A 24 -5.667 -2.384 12.707 1.00 0.00 O ATOM 341 CB LEU A 24 -3.340 -2.375 10.369 1.00 0.00 C ATOM 342 CG LEU A 24 -2.277 -3.237 9.686 1.00 0.00 C ATOM 343 CD1 LEU A 24 -1.198 -2.362 9.066 1.00 0.00 C ATOM 344 CD2 LEU A 24 -1.668 -4.218 10.677 1.00 0.00 C ATOM 0 H LEU A 24 -4.999 -2.780 8.557 1.00 0.00 H new ATOM 0 HA LEU A 24 -4.535 -3.996 11.125 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -3.503 -1.485 9.761 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -2.945 -2.038 11.328 1.00 0.00 H new ATOM 0 HG LEU A 24 -2.755 -3.807 8.890 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -0.450 -2.992 8.585 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -1.647 -1.701 8.325 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -0.722 -1.765 9.844 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -0.914 -4.823 10.173 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -1.204 -3.668 11.496 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -2.449 -4.867 11.073 1.00 0.00 H new ATOM 356 N VAL A 25 -6.179 -1.150 10.897 1.00 0.00 N ATOM 357 CA VAL A 25 -7.039 -0.230 11.632 1.00 0.00 C ATOM 358 C VAL A 25 -8.211 0.232 10.772 1.00 0.00 C ATOM 359 O VAL A 25 -8.057 1.030 9.847 1.00 0.00 O ATOM 360 CB VAL A 25 -6.256 1.004 12.119 1.00 0.00 C ATOM 361 CG1 VAL A 25 -7.166 1.940 12.899 1.00 0.00 C ATOM 362 CG2 VAL A 25 -5.065 0.579 12.963 1.00 0.00 C ATOM 0 H VAL A 25 -6.102 -0.950 9.900 1.00 0.00 H new ATOM 0 HA VAL A 25 -7.418 -0.774 12.497 1.00 0.00 H new ATOM 0 HB VAL A 25 -5.882 1.543 11.248 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -6.595 2.806 13.235 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -7.983 2.270 12.258 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -7.572 1.415 13.764 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -4.523 1.463 13.299 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -5.415 0.017 13.829 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -4.402 -0.048 12.367 1.00 0.00 H new ATOM 372 N PRO A 26 -9.411 -0.280 11.083 1.00 0.00 N ATOM 373 CA PRO A 26 -10.633 0.067 10.352 1.00 0.00 C ATOM 374 C PRO A 26 -11.072 1.505 10.605 1.00 0.00 C ATOM 375 O PRO A 26 -10.915 2.027 11.708 1.00 0.00 O ATOM 376 CB PRO A 26 -11.669 -0.914 10.907 1.00 0.00 C ATOM 377 CG PRO A 26 -11.168 -1.266 12.265 1.00 0.00 C ATOM 378 CD PRO A 26 -9.667 -1.236 12.173 1.00 0.00 C ATOM 0 HA PRO A 26 -10.496 -0.002 9.273 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -12.658 -0.459 10.956 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -11.755 -1.798 10.275 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -11.528 -0.556 13.010 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -11.521 -2.252 12.568 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -9.214 -0.909 13.109 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -9.258 -2.221 11.948 1.00 0.00 H new ATOM 386 N GLY A 27 -11.623 2.141 9.575 1.00 0.00 N ATOM 387 CA GLY A 27 -12.076 3.513 9.707 1.00 0.00 C ATOM 388 C GLY A 27 -13.459 3.610 10.320 1.00 0.00 C ATOM 389 O GLY A 27 -14.079 2.605 10.670 1.00 0.00 O ATOM 0 H GLY A 27 -11.763 1.730 8.652 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -11.369 4.068 10.323 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -12.083 3.986 8.725 1.00 0.00 H new ATOM 393 N PRO A 28 -13.963 4.845 10.460 1.00 0.00 N ATOM 394 CA PRO A 28 -15.286 5.100 11.037 1.00 0.00 C ATOM 395 C PRO A 28 -16.416 4.636 10.123 1.00 0.00 C ATOM 396 O PRO A 28 -16.223 4.396 8.931 1.00 0.00 O ATOM 397 CB PRO A 28 -15.318 6.622 11.195 1.00 0.00 C ATOM 398 CG PRO A 28 -14.360 7.129 10.173 1.00 0.00 C ATOM 399 CD PRO A 28 -13.280 6.089 10.065 1.00 0.00 C ATOM 0 HA PRO A 28 -15.434 4.558 11.971 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -16.320 7.016 11.028 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -15.021 6.922 12.200 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -14.856 7.278 9.214 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -13.946 8.092 10.471 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -12.883 6.025 9.052 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -12.440 6.312 10.723 1.00 0.00 H new ATOM 407 N PRO A 29 -17.624 4.508 10.692 1.00 0.00 N ATOM 408 CA PRO A 29 -18.808 4.074 9.945 1.00 0.00 C ATOM 409 C PRO A 29 -19.282 5.124 8.947 1.00 0.00 C ATOM 410 O PRO A 29 -20.206 4.885 8.171 1.00 0.00 O ATOM 411 CB PRO A 29 -19.859 3.863 11.039 1.00 0.00 C ATOM 412 CG PRO A 29 -19.429 4.753 12.153 1.00 0.00 C ATOM 413 CD PRO A 29 -17.926 4.778 12.107 1.00 0.00 C ATOM 0 HA PRO A 29 -18.609 3.184 9.347 1.00 0.00 H new ATOM 0 HB2 PRO A 29 -20.856 4.125 10.686 1.00 0.00 H new ATOM 0 HB3 PRO A 29 -19.896 2.821 11.357 1.00 0.00 H new ATOM 0 HG2 PRO A 29 -19.840 5.755 12.032 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -19.784 4.376 13.112 1.00 0.00 H new ATOM 0 HD2 PRO A 29 -17.530 5.742 12.426 1.00 0.00 H new ATOM 0 HD3 PRO A 29 -17.491 4.023 12.762 1.00 0.00 H new ATOM 421 N GLY A 30 -18.641 6.289 8.971 1.00 0.00 N ATOM 422 CA GLY A 30 -19.011 7.359 8.063 1.00 0.00 C ATOM 423 C GLY A 30 -18.205 7.335 6.780 1.00 0.00 C ATOM 424 O GLY A 30 -18.730 7.615 5.703 1.00 0.00 O ATOM 0 H GLY A 30 -17.872 6.511 9.603 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -20.071 7.278 7.824 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -18.869 8.319 8.560 1.00 0.00 H new ATOM 428 N SER A 31 -16.923 7.001 6.895 1.00 0.00 N ATOM 429 CA SER A 31 -16.041 6.947 5.735 1.00 0.00 C ATOM 430 C SER A 31 -16.602 6.012 4.668 1.00 0.00 C ATOM 431 O SER A 31 -17.586 5.309 4.899 1.00 0.00 O ATOM 432 CB SER A 31 -14.644 6.483 6.152 1.00 0.00 C ATOM 433 OG SER A 31 -14.711 5.579 7.242 1.00 0.00 O ATOM 0 H SER A 31 -16.473 6.764 7.779 1.00 0.00 H new ATOM 0 HA SER A 31 -15.973 7.950 5.314 1.00 0.00 H new ATOM 0 HB2 SER A 31 -14.150 6.003 5.307 1.00 0.00 H new ATOM 0 HB3 SER A 31 -14.038 7.346 6.428 1.00 0.00 H new ATOM 0 HG SER A 31 -15.617 5.212 7.307 1.00 0.00 H new ATOM 439 N SER A 32 -15.969 6.011 3.499 1.00 0.00 N ATOM 440 CA SER A 32 -16.407 5.166 2.394 1.00 0.00 C ATOM 441 C SER A 32 -15.333 5.086 1.313 1.00 0.00 C ATOM 442 O SER A 32 -14.732 6.095 0.944 1.00 0.00 O ATOM 443 CB SER A 32 -17.708 5.705 1.797 1.00 0.00 C ATOM 444 OG SER A 32 -17.648 7.110 1.626 1.00 0.00 O ATOM 0 H SER A 32 -15.152 6.585 3.293 1.00 0.00 H new ATOM 0 HA SER A 32 -16.582 4.163 2.783 1.00 0.00 H new ATOM 0 HB2 SER A 32 -17.896 5.226 0.836 1.00 0.00 H new ATOM 0 HB3 SER A 32 -18.544 5.450 2.449 1.00 0.00 H new ATOM 0 HG SER A 32 -18.491 7.429 1.241 1.00 0.00 H new ATOM 450 N ARG A 33 -15.097 3.878 0.811 1.00 0.00 N ATOM 451 CA ARG A 33 -14.096 3.664 -0.226 1.00 0.00 C ATOM 452 C ARG A 33 -14.074 4.830 -1.210 1.00 0.00 C ATOM 453 O ARG A 33 -15.112 5.369 -1.595 1.00 0.00 O ATOM 454 CB ARG A 33 -14.374 2.358 -0.973 1.00 0.00 C ATOM 455 CG ARG A 33 -14.241 1.119 -0.103 1.00 0.00 C ATOM 456 CD ARG A 33 -13.906 -0.111 -0.932 1.00 0.00 C ATOM 457 NE ARG A 33 -15.106 -0.801 -1.397 1.00 0.00 N ATOM 458 CZ ARG A 33 -15.131 -2.087 -1.730 1.00 0.00 C ATOM 459 NH1 ARG A 33 -14.028 -2.818 -1.650 1.00 0.00 N ATOM 460 NH2 ARG A 33 -16.262 -2.644 -2.144 1.00 0.00 N ATOM 0 H ARG A 33 -15.586 3.033 1.106 1.00 0.00 H new ATOM 0 HA ARG A 33 -13.120 3.598 0.255 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -15.381 2.394 -1.388 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -13.686 2.277 -1.814 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -13.463 1.279 0.643 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -15.172 0.952 0.438 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -13.302 0.184 -1.790 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -13.302 -0.796 -0.337 1.00 0.00 H new ATOM 0 HE ARG A 33 -15.972 -0.267 -1.470 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -13.157 -2.393 -1.332 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -14.051 -3.805 -1.906 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -17.113 -2.085 -2.207 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -16.281 -3.631 -2.400 1.00 0.00 H new ATOM 474 N PRO A 34 -12.864 5.231 -1.627 1.00 0.00 N ATOM 475 CA PRO A 34 -12.678 6.337 -2.571 1.00 0.00 C ATOM 476 C PRO A 34 -13.154 5.986 -3.977 1.00 0.00 C ATOM 477 O PRO A 34 -13.813 4.967 -4.183 1.00 0.00 O ATOM 478 CB PRO A 34 -11.164 6.563 -2.560 1.00 0.00 C ATOM 479 CG PRO A 34 -10.589 5.249 -2.155 1.00 0.00 C ATOM 480 CD PRO A 34 -11.584 4.635 -1.209 1.00 0.00 C ATOM 0 HA PRO A 34 -13.256 7.216 -2.287 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -10.802 6.868 -3.542 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -10.886 7.350 -1.859 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -10.429 4.609 -3.023 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -9.620 5.379 -1.672 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -11.600 3.548 -1.293 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -11.350 4.871 -0.171 1.00 0.00 H new ATOM 488 N VAL A 35 -12.816 6.837 -4.941 1.00 0.00 N ATOM 489 CA VAL A 35 -13.208 6.615 -6.328 1.00 0.00 C ATOM 490 C VAL A 35 -11.987 6.412 -7.218 1.00 0.00 C ATOM 491 O VAL A 35 -10.888 6.868 -6.898 1.00 0.00 O ATOM 492 CB VAL A 35 -14.036 7.793 -6.872 1.00 0.00 C ATOM 493 CG1 VAL A 35 -13.350 9.116 -6.566 1.00 0.00 C ATOM 494 CG2 VAL A 35 -14.267 7.636 -8.367 1.00 0.00 C ATOM 0 H VAL A 35 -12.272 7.686 -4.787 1.00 0.00 H new ATOM 0 HA VAL A 35 -13.820 5.713 -6.344 1.00 0.00 H new ATOM 0 HB VAL A 35 -15.006 7.792 -6.375 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -13.951 9.937 -6.958 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -13.242 9.229 -5.487 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -12.365 9.132 -7.033 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -14.854 8.478 -8.735 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -13.307 7.610 -8.883 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -14.806 6.708 -8.556 1.00 0.00 H new ATOM 504 N LYS A 36 -12.185 5.726 -8.338 1.00 0.00 N ATOM 505 CA LYS A 36 -11.102 5.464 -9.277 1.00 0.00 C ATOM 506 C LYS A 36 -10.957 6.608 -10.275 1.00 0.00 C ATOM 507 O LYS A 36 -11.865 6.878 -11.061 1.00 0.00 O ATOM 508 CB LYS A 36 -11.353 4.151 -10.024 1.00 0.00 C ATOM 509 CG LYS A 36 -10.375 3.900 -11.158 1.00 0.00 C ATOM 510 CD LYS A 36 -10.638 2.566 -11.837 1.00 0.00 C ATOM 511 CE LYS A 36 -10.224 2.593 -13.300 1.00 0.00 C ATOM 512 NZ LYS A 36 -11.023 3.575 -14.084 1.00 0.00 N ATOM 0 H LYS A 36 -13.087 5.341 -8.618 1.00 0.00 H new ATOM 0 HA LYS A 36 -10.175 5.381 -8.709 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -11.296 3.324 -9.317 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -12.367 4.159 -10.425 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -10.452 4.703 -11.891 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -9.356 3.918 -10.771 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -10.092 1.779 -11.318 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -11.698 2.321 -11.762 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -9.166 2.844 -13.374 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -10.346 1.599 -13.730 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -11.079 3.265 -15.075 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -11.982 3.639 -13.686 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -10.567 4.509 -14.039 1.00 0.00 H new ATOM 526 N GLY A 37 -9.809 7.278 -10.239 1.00 0.00 N ATOM 527 CA GLY A 37 -9.567 8.385 -11.146 1.00 0.00 C ATOM 528 C GLY A 37 -9.359 9.697 -10.416 1.00 0.00 C ATOM 529 O GLY A 37 -9.305 10.758 -11.038 1.00 0.00 O ATOM 0 H GLY A 37 -9.042 7.074 -9.598 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -8.689 8.168 -11.754 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -10.411 8.482 -11.829 1.00 0.00 H new ATOM 533 N GLN A 38 -9.243 9.626 -9.094 1.00 0.00 N ATOM 534 CA GLN A 38 -9.043 10.818 -8.280 1.00 0.00 C ATOM 535 C GLN A 38 -7.674 10.794 -7.607 1.00 0.00 C ATOM 536 O GLN A 38 -7.003 9.762 -7.577 1.00 0.00 O ATOM 537 CB GLN A 38 -10.142 10.930 -7.222 1.00 0.00 C ATOM 538 CG GLN A 38 -11.495 11.326 -7.790 1.00 0.00 C ATOM 539 CD GLN A 38 -12.397 11.968 -6.755 1.00 0.00 C ATOM 540 OE1 GLN A 38 -12.131 11.692 -5.484 1.00 0.00 O flip ATOM 541 NE2 GLN A 38 -13.324 12.705 -7.093 1.00 0.00 N flip ATOM 0 H GLN A 38 -9.284 8.755 -8.564 1.00 0.00 H new ATOM 0 HA GLN A 38 -9.091 11.687 -8.936 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -10.239 9.974 -6.708 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -9.842 11.665 -6.475 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -11.348 12.019 -8.618 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -11.987 10.442 -8.197 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -13.493 12.891 -8.082 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -13.922 13.130 -6.384 1.00 0.00 H new ATOM 550 N VAL A 39 -7.264 11.938 -7.069 1.00 0.00 N ATOM 551 CA VAL A 39 -5.976 12.049 -6.396 1.00 0.00 C ATOM 552 C VAL A 39 -6.048 11.496 -4.977 1.00 0.00 C ATOM 553 O VAL A 39 -6.594 12.134 -4.077 1.00 0.00 O ATOM 554 CB VAL A 39 -5.494 13.511 -6.342 1.00 0.00 C ATOM 555 CG1 VAL A 39 -4.288 13.642 -5.424 1.00 0.00 C ATOM 556 CG2 VAL A 39 -5.169 14.016 -7.739 1.00 0.00 C ATOM 0 H VAL A 39 -7.806 12.802 -7.086 1.00 0.00 H new ATOM 0 HA VAL A 39 -5.264 11.462 -6.976 1.00 0.00 H new ATOM 0 HB VAL A 39 -6.297 14.126 -5.936 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -3.961 14.682 -5.398 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -4.560 13.322 -4.418 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -3.477 13.016 -5.797 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -4.830 15.050 -7.682 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -4.383 13.400 -8.175 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -6.061 13.960 -8.363 1.00 0.00 H new ATOM 566 N VAL A 40 -5.491 10.305 -4.783 1.00 0.00 N ATOM 567 CA VAL A 40 -5.490 9.665 -3.472 1.00 0.00 C ATOM 568 C VAL A 40 -4.145 9.841 -2.776 1.00 0.00 C ATOM 569 O VAL A 40 -3.092 9.593 -3.364 1.00 0.00 O ATOM 570 CB VAL A 40 -5.807 8.162 -3.581 1.00 0.00 C ATOM 571 CG1 VAL A 40 -7.306 7.924 -3.479 1.00 0.00 C ATOM 572 CG2 VAL A 40 -5.256 7.594 -4.879 1.00 0.00 C ATOM 0 H VAL A 40 -5.034 9.763 -5.517 1.00 0.00 H new ATOM 0 HA VAL A 40 -6.267 10.150 -2.882 1.00 0.00 H new ATOM 0 HB VAL A 40 -5.324 7.645 -2.752 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -7.511 6.856 -3.558 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -7.669 8.293 -2.520 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -7.814 8.452 -4.286 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -5.489 6.531 -4.939 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -5.708 8.113 -5.724 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -4.175 7.730 -4.906 1.00 0.00 H new ATOM 582 N THR A 41 -4.187 10.270 -1.519 1.00 0.00 N ATOM 583 CA THR A 41 -2.973 10.480 -0.741 1.00 0.00 C ATOM 584 C THR A 41 -2.890 9.502 0.425 1.00 0.00 C ATOM 585 O THR A 41 -3.717 9.537 1.337 1.00 0.00 O ATOM 586 CB THR A 41 -2.895 11.919 -0.197 1.00 0.00 C ATOM 587 OG1 THR A 41 -3.233 12.852 -1.229 1.00 0.00 O ATOM 588 CG2 THR A 41 -1.502 12.223 0.333 1.00 0.00 C ATOM 0 H THR A 41 -5.050 10.479 -1.017 1.00 0.00 H new ATOM 0 HA THR A 41 -2.133 10.309 -1.415 1.00 0.00 H new ATOM 0 HB THR A 41 -3.606 12.012 0.624 1.00 0.00 H new ATOM 0 HG1 THR A 41 -3.183 13.764 -0.875 1.00 0.00 H new ATOM 0 HG21 THR A 41 -1.472 13.245 0.712 1.00 0.00 H new ATOM 0 HG22 THR A 41 -1.260 11.530 1.139 1.00 0.00 H new ATOM 0 HG23 THR A 41 -0.775 12.112 -0.471 1.00 0.00 H new ATOM 596 N VAL A 42 -1.888 8.630 0.391 1.00 0.00 N ATOM 597 CA VAL A 42 -1.696 7.643 1.446 1.00 0.00 C ATOM 598 C VAL A 42 -0.243 7.605 1.906 1.00 0.00 C ATOM 599 O VAL A 42 0.596 8.359 1.413 1.00 0.00 O ATOM 600 CB VAL A 42 -2.113 6.235 0.981 1.00 0.00 C ATOM 601 CG1 VAL A 42 -3.408 6.298 0.186 1.00 0.00 C ATOM 602 CG2 VAL A 42 -1.004 5.596 0.160 1.00 0.00 C ATOM 0 H VAL A 42 -1.196 8.587 -0.357 1.00 0.00 H new ATOM 0 HA VAL A 42 -2.330 7.944 2.280 1.00 0.00 H new ATOM 0 HB VAL A 42 -2.285 5.616 1.861 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -3.687 5.294 -0.134 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -4.199 6.713 0.811 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -3.267 6.932 -0.689 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -1.315 4.602 -0.160 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -0.799 6.212 -0.716 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -0.102 5.516 0.767 1.00 0.00 H new ATOM 612 N HIS A 43 0.048 6.720 2.855 1.00 0.00 N ATOM 613 CA HIS A 43 1.402 6.582 3.381 1.00 0.00 C ATOM 614 C HIS A 43 1.929 5.168 3.159 1.00 0.00 C ATOM 615 O HIS A 43 1.598 4.246 3.906 1.00 0.00 O ATOM 616 CB HIS A 43 1.429 6.921 4.872 1.00 0.00 C ATOM 617 CG HIS A 43 2.812 7.041 5.434 1.00 0.00 C ATOM 618 ND1 HIS A 43 3.955 6.389 5.119 1.00 0.00 N flip ATOM 619 CD2 HIS A 43 3.138 7.916 6.449 1.00 0.00 C flip ATOM 620 CE1 HIS A 43 4.942 6.878 5.939 1.00 0.00 C flip ATOM 621 NE2 HIS A 43 4.423 7.798 6.732 1.00 0.00 N flip ATOM 0 H HIS A 43 -0.634 6.089 3.275 1.00 0.00 H new ATOM 0 HA HIS A 43 2.047 7.279 2.846 1.00 0.00 H new ATOM 0 HB2 HIS A 43 0.898 7.859 5.033 1.00 0.00 H new ATOM 0 HB3 HIS A 43 0.888 6.150 5.421 1.00 0.00 H new ATOM 0 HD2 HIS A 43 2.451 8.592 6.936 1.00 0.00 H new ATOM 0 HE1 HIS A 43 5.975 6.562 5.936 1.00 0.00 H new ATOM 0 HE2 HIS A 43 4.929 8.327 7.442 1.00 0.00 H new ATOM 630 N LEU A 44 2.751 5.004 2.128 1.00 0.00 N ATOM 631 CA LEU A 44 3.324 3.701 1.807 1.00 0.00 C ATOM 632 C LEU A 44 4.747 3.585 2.345 1.00 0.00 C ATOM 633 O LEU A 44 5.548 4.510 2.211 1.00 0.00 O ATOM 634 CB LEU A 44 3.319 3.479 0.294 1.00 0.00 C ATOM 635 CG LEU A 44 4.475 2.650 -0.267 1.00 0.00 C ATOM 636 CD1 LEU A 44 5.775 3.436 -0.206 1.00 0.00 C ATOM 637 CD2 LEU A 44 4.607 1.337 0.492 1.00 0.00 C ATOM 0 H LEU A 44 3.035 5.756 1.501 1.00 0.00 H new ATOM 0 HA LEU A 44 2.712 2.935 2.282 1.00 0.00 H new ATOM 0 HB2 LEU A 44 2.383 2.991 0.022 1.00 0.00 H new ATOM 0 HB3 LEU A 44 3.325 4.453 -0.196 1.00 0.00 H new ATOM 0 HG LEU A 44 4.261 2.423 -1.311 1.00 0.00 H new ATOM 0 HD11 LEU A 44 6.586 2.830 -0.609 1.00 0.00 H new ATOM 0 HD12 LEU A 44 5.677 4.348 -0.794 1.00 0.00 H new ATOM 0 HD13 LEU A 44 5.996 3.694 0.830 1.00 0.00 H new ATOM 0 HD21 LEU A 44 5.434 0.760 0.079 1.00 0.00 H new ATOM 0 HD22 LEU A 44 4.798 1.543 1.545 1.00 0.00 H new ATOM 0 HD23 LEU A 44 3.683 0.767 0.396 1.00 0.00 H new ATOM 649 N GLN A 45 5.054 2.443 2.950 1.00 0.00 N ATOM 650 CA GLN A 45 6.381 2.206 3.506 1.00 0.00 C ATOM 651 C GLN A 45 6.919 0.846 3.071 1.00 0.00 C ATOM 652 O GLN A 45 6.390 -0.196 3.459 1.00 0.00 O ATOM 653 CB GLN A 45 6.340 2.287 5.033 1.00 0.00 C ATOM 654 CG GLN A 45 6.138 3.697 5.562 1.00 0.00 C ATOM 655 CD GLN A 45 6.479 3.823 7.034 1.00 0.00 C ATOM 656 OE1 GLN A 45 7.730 3.538 7.378 1.00 0.00 O flip ATOM 657 NE2 GLN A 45 5.629 4.172 7.853 1.00 0.00 N flip ATOM 0 H GLN A 45 4.402 1.667 3.068 1.00 0.00 H new ATOM 0 HA GLN A 45 7.049 2.979 3.126 1.00 0.00 H new ATOM 0 HB2 GLN A 45 5.535 1.651 5.401 1.00 0.00 H new ATOM 0 HB3 GLN A 45 7.271 1.887 5.435 1.00 0.00 H new ATOM 0 HG2 GLN A 45 6.757 4.388 4.989 1.00 0.00 H new ATOM 0 HG3 GLN A 45 5.101 3.994 5.407 1.00 0.00 H new ATOM 0 HE21 GLN A 45 4.679 4.381 7.545 1.00 0.00 H new ATOM 0 HE22 GLN A 45 5.874 4.252 8.840 1.00 0.00 H new ATOM 666 N THR A 46 7.974 0.863 2.262 1.00 0.00 N ATOM 667 CA THR A 46 8.582 -0.368 1.774 1.00 0.00 C ATOM 668 C THR A 46 9.590 -0.919 2.776 1.00 0.00 C ATOM 669 O THR A 46 10.460 -0.193 3.258 1.00 0.00 O ATOM 670 CB THR A 46 9.287 -0.148 0.422 1.00 0.00 C ATOM 671 OG1 THR A 46 8.498 0.713 -0.408 1.00 0.00 O ATOM 672 CG2 THR A 46 9.519 -1.472 -0.289 1.00 0.00 C ATOM 0 H THR A 46 8.425 1.716 1.931 1.00 0.00 H new ATOM 0 HA THR A 46 7.775 -1.088 1.642 1.00 0.00 H new ATOM 0 HB THR A 46 10.254 0.318 0.613 1.00 0.00 H new ATOM 0 HG1 THR A 46 8.996 0.926 -1.225 1.00 0.00 H new ATOM 0 HG21 THR A 46 10.018 -1.291 -1.241 1.00 0.00 H new ATOM 0 HG22 THR A 46 10.144 -2.114 0.332 1.00 0.00 H new ATOM 0 HG23 THR A 46 8.562 -1.961 -0.468 1.00 0.00 H new ATOM 680 N SER A 47 9.467 -2.205 3.085 1.00 0.00 N ATOM 681 CA SER A 47 10.366 -2.853 4.033 1.00 0.00 C ATOM 682 C SER A 47 10.537 -4.331 3.697 1.00 0.00 C ATOM 683 O SER A 47 9.575 -5.015 3.344 1.00 0.00 O ATOM 684 CB SER A 47 9.833 -2.701 5.459 1.00 0.00 C ATOM 685 OG SER A 47 8.452 -3.010 5.523 1.00 0.00 O ATOM 0 H SER A 47 8.754 -2.819 2.693 1.00 0.00 H new ATOM 0 HA SER A 47 11.339 -2.368 3.963 1.00 0.00 H new ATOM 0 HB2 SER A 47 10.387 -3.358 6.130 1.00 0.00 H new ATOM 0 HB3 SER A 47 9.997 -1.680 5.805 1.00 0.00 H new ATOM 0 HG SER A 47 8.136 -2.907 6.445 1.00 0.00 H new ATOM 691 N LEU A 48 11.768 -4.818 3.809 1.00 0.00 N ATOM 692 CA LEU A 48 12.067 -6.216 3.518 1.00 0.00 C ATOM 693 C LEU A 48 11.320 -7.143 4.471 1.00 0.00 C ATOM 694 O LEU A 48 11.073 -6.794 5.625 1.00 0.00 O ATOM 695 CB LEU A 48 13.572 -6.467 3.618 1.00 0.00 C ATOM 696 CG LEU A 48 14.373 -6.270 2.331 1.00 0.00 C ATOM 697 CD1 LEU A 48 14.071 -7.382 1.338 1.00 0.00 C ATOM 698 CD2 LEU A 48 14.072 -4.910 1.719 1.00 0.00 C ATOM 0 H LEU A 48 12.575 -4.266 4.099 1.00 0.00 H new ATOM 0 HA LEU A 48 11.736 -6.429 2.501 1.00 0.00 H new ATOM 0 HB2 LEU A 48 13.980 -5.805 4.381 1.00 0.00 H new ATOM 0 HB3 LEU A 48 13.727 -7.488 3.966 1.00 0.00 H new ATOM 0 HG LEU A 48 15.434 -6.309 2.577 1.00 0.00 H new ATOM 0 HD11 LEU A 48 14.650 -7.225 0.428 1.00 0.00 H new ATOM 0 HD12 LEU A 48 14.338 -8.344 1.776 1.00 0.00 H new ATOM 0 HD13 LEU A 48 13.008 -7.376 1.097 1.00 0.00 H new ATOM 0 HD21 LEU A 48 14.651 -4.787 0.804 1.00 0.00 H new ATOM 0 HD22 LEU A 48 13.009 -4.842 1.488 1.00 0.00 H new ATOM 0 HD23 LEU A 48 14.340 -4.125 2.426 1.00 0.00 H new ATOM 710 N GLU A 49 10.966 -8.327 3.981 1.00 0.00 N ATOM 711 CA GLU A 49 10.248 -9.305 4.791 1.00 0.00 C ATOM 712 C GLU A 49 10.907 -9.466 6.159 1.00 0.00 C ATOM 713 O GLU A 49 10.231 -9.693 7.161 1.00 0.00 O ATOM 714 CB GLU A 49 10.198 -10.655 4.074 1.00 0.00 C ATOM 715 CG GLU A 49 9.205 -11.631 4.684 1.00 0.00 C ATOM 716 CD GLU A 49 9.258 -13.000 4.032 1.00 0.00 C ATOM 717 OE1 GLU A 49 10.349 -13.399 3.577 1.00 0.00 O ATOM 718 OE2 GLU A 49 8.206 -13.670 3.978 1.00 0.00 O ATOM 0 H GLU A 49 11.164 -8.632 3.028 1.00 0.00 H new ATOM 0 HA GLU A 49 9.231 -8.942 4.937 1.00 0.00 H new ATOM 0 HB2 GLU A 49 9.939 -10.492 3.028 1.00 0.00 H new ATOM 0 HB3 GLU A 49 11.192 -11.103 4.090 1.00 0.00 H new ATOM 0 HG2 GLU A 49 9.408 -11.732 5.750 1.00 0.00 H new ATOM 0 HG3 GLU A 49 8.198 -11.226 4.589 1.00 0.00 H new ATOM 725 N ASN A 50 12.230 -9.348 6.189 1.00 0.00 N ATOM 726 CA ASN A 50 12.981 -9.482 7.432 1.00 0.00 C ATOM 727 C ASN A 50 12.743 -8.282 8.343 1.00 0.00 C ATOM 728 O ASN A 50 12.484 -8.436 9.536 1.00 0.00 O ATOM 729 CB ASN A 50 14.475 -9.624 7.137 1.00 0.00 C ATOM 730 CG ASN A 50 14.751 -10.593 6.003 1.00 0.00 C ATOM 731 OD1 ASN A 50 14.835 -11.803 6.212 1.00 0.00 O ATOM 732 ND2 ASN A 50 14.893 -10.062 4.794 1.00 0.00 N ATOM 0 H ASN A 50 12.804 -9.160 5.367 1.00 0.00 H new ATOM 0 HA ASN A 50 12.632 -10.379 7.943 1.00 0.00 H new ATOM 0 HB2 ASN A 50 14.887 -8.647 6.885 1.00 0.00 H new ATOM 0 HB3 ASN A 50 14.989 -9.965 8.036 1.00 0.00 H new ATOM 0 HD21 ASN A 50 15.080 -10.663 3.992 1.00 0.00 H new ATOM 0 HD22 ASN A 50 14.815 -9.053 4.668 1.00 0.00 H new ATOM 739 N GLY A 51 12.833 -7.084 7.772 1.00 0.00 N ATOM 740 CA GLY A 51 12.625 -5.875 8.546 1.00 0.00 C ATOM 741 C GLY A 51 13.631 -4.792 8.212 1.00 0.00 C ATOM 742 O GLY A 51 14.084 -4.060 9.093 1.00 0.00 O ATOM 0 H GLY A 51 13.046 -6.930 6.787 1.00 0.00 H new ATOM 0 HA2 GLY A 51 11.618 -5.500 8.364 1.00 0.00 H new ATOM 0 HA3 GLY A 51 12.690 -6.112 9.608 1.00 0.00 H new ATOM 746 N THR A 52 13.986 -4.689 6.935 1.00 0.00 N ATOM 747 CA THR A 52 14.947 -3.690 6.487 1.00 0.00 C ATOM 748 C THR A 52 14.280 -2.643 5.602 1.00 0.00 C ATOM 749 O THR A 52 14.247 -2.780 4.379 1.00 0.00 O ATOM 750 CB THR A 52 16.109 -4.337 5.710 1.00 0.00 C ATOM 751 OG1 THR A 52 16.675 -5.407 6.476 1.00 0.00 O ATOM 752 CG2 THR A 52 17.185 -3.310 5.390 1.00 0.00 C ATOM 0 H THR A 52 13.622 -5.286 6.193 1.00 0.00 H new ATOM 0 HA THR A 52 15.341 -3.208 7.381 1.00 0.00 H new ATOM 0 HB THR A 52 15.716 -4.731 4.773 1.00 0.00 H new ATOM 0 HG1 THR A 52 17.412 -5.814 5.974 1.00 0.00 H new ATOM 0 HG21 THR A 52 17.995 -3.791 4.841 1.00 0.00 H new ATOM 0 HG22 THR A 52 16.758 -2.513 4.782 1.00 0.00 H new ATOM 0 HG23 THR A 52 17.574 -2.890 6.317 1.00 0.00 H new ATOM 760 N ARG A 53 13.751 -1.597 6.228 1.00 0.00 N ATOM 761 CA ARG A 53 13.084 -0.526 5.496 1.00 0.00 C ATOM 762 C ARG A 53 13.955 -0.029 4.347 1.00 0.00 C ATOM 763 O ARG A 53 15.096 0.386 4.552 1.00 0.00 O ATOM 764 CB ARG A 53 12.751 0.633 6.437 1.00 0.00 C ATOM 765 CG ARG A 53 11.385 0.514 7.091 1.00 0.00 C ATOM 766 CD ARG A 53 10.871 1.867 7.559 1.00 0.00 C ATOM 767 NE ARG A 53 9.976 1.745 8.707 1.00 0.00 N ATOM 768 CZ ARG A 53 9.733 2.736 9.557 1.00 0.00 C ATOM 769 NH1 ARG A 53 10.315 3.916 9.390 1.00 0.00 N ATOM 770 NH2 ARG A 53 8.906 2.548 10.578 1.00 0.00 N ATOM 0 H ARG A 53 13.771 -1.468 7.240 1.00 0.00 H new ATOM 0 HA ARG A 53 12.158 -0.925 5.081 1.00 0.00 H new ATOM 0 HB2 ARG A 53 13.513 0.689 7.215 1.00 0.00 H new ATOM 0 HB3 ARG A 53 12.797 1.568 5.878 1.00 0.00 H new ATOM 0 HG2 ARG A 53 10.678 0.080 6.384 1.00 0.00 H new ATOM 0 HG3 ARG A 53 11.445 -0.167 7.940 1.00 0.00 H new ATOM 0 HD2 ARG A 53 11.715 2.504 7.823 1.00 0.00 H new ATOM 0 HD3 ARG A 53 10.345 2.358 6.740 1.00 0.00 H new ATOM 0 HE ARG A 53 9.513 0.850 8.864 1.00 0.00 H new ATOM 0 HH11 ARG A 53 10.951 4.064 8.607 1.00 0.00 H new ATOM 0 HH12 ARG A 53 10.126 4.675 10.045 1.00 0.00 H new ATOM 0 HH21 ARG A 53 8.457 1.642 10.710 1.00 0.00 H new ATOM 0 HH22 ARG A 53 8.720 3.310 11.230 1.00 0.00 H new ATOM 784 N VAL A 54 13.410 -0.073 3.135 1.00 0.00 N ATOM 785 CA VAL A 54 14.136 0.373 1.953 1.00 0.00 C ATOM 786 C VAL A 54 13.778 1.812 1.598 1.00 0.00 C ATOM 787 O VAL A 54 14.654 2.625 1.305 1.00 0.00 O ATOM 788 CB VAL A 54 13.844 -0.530 0.740 1.00 0.00 C ATOM 789 CG1 VAL A 54 14.531 0.008 -0.505 1.00 0.00 C ATOM 790 CG2 VAL A 54 14.280 -1.960 1.024 1.00 0.00 C ATOM 0 H VAL A 54 12.467 -0.414 2.947 1.00 0.00 H new ATOM 0 HA VAL A 54 15.197 0.314 2.194 1.00 0.00 H new ATOM 0 HB VAL A 54 12.769 -0.531 0.560 1.00 0.00 H new ATOM 0 HG11 VAL A 54 14.313 -0.643 -1.351 1.00 0.00 H new ATOM 0 HG12 VAL A 54 14.165 1.013 -0.717 1.00 0.00 H new ATOM 0 HG13 VAL A 54 15.608 0.041 -0.341 1.00 0.00 H new ATOM 0 HG21 VAL A 54 14.066 -2.585 0.157 1.00 0.00 H new ATOM 0 HG22 VAL A 54 15.350 -1.980 1.231 1.00 0.00 H new ATOM 0 HG23 VAL A 54 13.736 -2.341 1.888 1.00 0.00 H new ATOM 800 N GLN A 55 12.485 2.119 1.629 1.00 0.00 N ATOM 801 CA GLN A 55 12.012 3.461 1.311 1.00 0.00 C ATOM 802 C GLN A 55 10.687 3.751 2.009 1.00 0.00 C ATOM 803 O GLN A 55 9.818 2.884 2.095 1.00 0.00 O ATOM 804 CB GLN A 55 11.850 3.622 -0.202 1.00 0.00 C ATOM 805 CG GLN A 55 10.484 3.197 -0.716 1.00 0.00 C ATOM 806 CD GLN A 55 9.484 4.336 -0.729 1.00 0.00 C ATOM 807 OE1 GLN A 55 8.633 4.440 0.154 1.00 0.00 O ATOM 808 NE2 GLN A 55 9.583 5.199 -1.733 1.00 0.00 N ATOM 0 H GLN A 55 11.747 1.457 1.871 1.00 0.00 H new ATOM 0 HA GLN A 55 12.754 4.175 1.669 1.00 0.00 H new ATOM 0 HB2 GLN A 55 12.021 4.665 -0.468 1.00 0.00 H new ATOM 0 HB3 GLN A 55 12.618 3.034 -0.706 1.00 0.00 H new ATOM 0 HG2 GLN A 55 10.588 2.799 -1.725 1.00 0.00 H new ATOM 0 HG3 GLN A 55 10.101 2.389 -0.092 1.00 0.00 H new ATOM 0 HE21 GLN A 55 10.304 5.074 -2.443 1.00 0.00 H new ATOM 0 HE22 GLN A 55 8.938 5.987 -1.794 1.00 0.00 H new ATOM 817 N GLU A 56 10.542 4.975 2.507 1.00 0.00 N ATOM 818 CA GLU A 56 9.323 5.377 3.200 1.00 0.00 C ATOM 819 C GLU A 56 8.708 6.611 2.546 1.00 0.00 C ATOM 820 O GLU A 56 9.378 7.626 2.361 1.00 0.00 O ATOM 821 CB GLU A 56 9.618 5.661 4.674 1.00 0.00 C ATOM 822 CG GLU A 56 8.520 6.444 5.374 1.00 0.00 C ATOM 823 CD GLU A 56 8.731 7.943 5.297 1.00 0.00 C ATOM 824 OE1 GLU A 56 9.847 8.367 4.932 1.00 0.00 O ATOM 825 OE2 GLU A 56 7.780 8.692 5.602 1.00 0.00 O ATOM 0 H GLU A 56 11.252 5.704 2.444 1.00 0.00 H new ATOM 0 HA GLU A 56 8.609 4.556 3.132 1.00 0.00 H new ATOM 0 HB2 GLU A 56 9.767 4.715 5.195 1.00 0.00 H new ATOM 0 HB3 GLU A 56 10.553 6.216 4.748 1.00 0.00 H new ATOM 0 HG2 GLU A 56 7.558 6.193 4.926 1.00 0.00 H new ATOM 0 HG3 GLU A 56 8.473 6.141 6.420 1.00 0.00 H new ATOM 832 N GLU A 57 7.429 6.514 2.198 1.00 0.00 N ATOM 833 CA GLU A 57 6.724 7.621 1.563 1.00 0.00 C ATOM 834 C GLU A 57 5.600 8.136 2.458 1.00 0.00 C ATOM 835 O GLU A 57 4.530 7.535 2.562 1.00 0.00 O ATOM 836 CB GLU A 57 6.155 7.185 0.211 1.00 0.00 C ATOM 837 CG GLU A 57 5.992 8.327 -0.778 1.00 0.00 C ATOM 838 CD GLU A 57 7.305 8.736 -1.417 1.00 0.00 C ATOM 839 OE1 GLU A 57 8.241 9.095 -0.673 1.00 0.00 O ATOM 840 OE2 GLU A 57 7.396 8.697 -2.662 1.00 0.00 O ATOM 0 H GLU A 57 6.860 5.680 2.345 1.00 0.00 H new ATOM 0 HA GLU A 57 7.438 8.429 1.405 1.00 0.00 H new ATOM 0 HB2 GLU A 57 6.811 6.430 -0.223 1.00 0.00 H new ATOM 0 HB3 GLU A 57 5.186 6.712 0.370 1.00 0.00 H new ATOM 0 HG2 GLU A 57 5.290 8.031 -1.557 1.00 0.00 H new ATOM 0 HG3 GLU A 57 5.557 9.186 -0.267 1.00 0.00 H new ATOM 847 N PRO A 58 5.848 9.274 3.123 1.00 0.00 N ATOM 848 CA PRO A 58 4.870 9.895 4.021 1.00 0.00 C ATOM 849 C PRO A 58 3.679 10.478 3.268 1.00 0.00 C ATOM 850 O PRO A 58 2.529 10.260 3.645 1.00 0.00 O ATOM 851 CB PRO A 58 5.671 11.009 4.701 1.00 0.00 C ATOM 852 CG PRO A 58 6.760 11.334 3.738 1.00 0.00 C ATOM 853 CD PRO A 58 7.101 10.043 3.047 1.00 0.00 C ATOM 0 HA PRO A 58 4.440 9.174 4.717 1.00 0.00 H new ATOM 0 HB2 PRO A 58 5.047 11.880 4.901 1.00 0.00 H new ATOM 0 HB3 PRO A 58 6.074 10.679 5.658 1.00 0.00 H new ATOM 0 HG2 PRO A 58 6.434 12.087 3.020 1.00 0.00 H new ATOM 0 HG3 PRO A 58 7.629 11.741 4.255 1.00 0.00 H new ATOM 0 HD2 PRO A 58 7.409 10.209 2.015 1.00 0.00 H new ATOM 0 HD3 PRO A 58 7.921 9.525 3.545 1.00 0.00 H new ATOM 861 N GLU A 59 3.965 11.220 2.202 1.00 0.00 N ATOM 862 CA GLU A 59 2.915 11.835 1.397 1.00 0.00 C ATOM 863 C GLU A 59 2.875 11.225 -0.001 1.00 0.00 C ATOM 864 O GLU A 59 3.293 11.851 -0.976 1.00 0.00 O ATOM 865 CB GLU A 59 3.135 13.346 1.300 1.00 0.00 C ATOM 866 CG GLU A 59 2.083 14.062 0.471 1.00 0.00 C ATOM 867 CD GLU A 59 2.053 15.556 0.730 1.00 0.00 C ATOM 868 OE1 GLU A 59 2.375 15.968 1.864 1.00 0.00 O ATOM 869 OE2 GLU A 59 1.707 16.312 -0.202 1.00 0.00 O ATOM 0 H GLU A 59 4.913 11.410 1.876 1.00 0.00 H new ATOM 0 HA GLU A 59 1.959 11.645 1.885 1.00 0.00 H new ATOM 0 HB2 GLU A 59 3.143 13.769 2.305 1.00 0.00 H new ATOM 0 HB3 GLU A 59 4.117 13.535 0.867 1.00 0.00 H new ATOM 0 HG2 GLU A 59 2.277 13.884 -0.587 1.00 0.00 H new ATOM 0 HG3 GLU A 59 1.103 13.639 0.691 1.00 0.00 H new ATOM 876 N LEU A 60 2.371 9.999 -0.091 1.00 0.00 N ATOM 877 CA LEU A 60 2.276 9.303 -1.370 1.00 0.00 C ATOM 878 C LEU A 60 0.994 9.684 -2.103 1.00 0.00 C ATOM 879 O LEU A 60 -0.109 9.470 -1.600 1.00 0.00 O ATOM 880 CB LEU A 60 2.322 7.789 -1.153 1.00 0.00 C ATOM 881 CG LEU A 60 2.007 6.926 -2.375 1.00 0.00 C ATOM 882 CD1 LEU A 60 0.525 6.999 -2.712 1.00 0.00 C ATOM 883 CD2 LEU A 60 2.848 7.361 -3.566 1.00 0.00 C ATOM 0 H LEU A 60 2.022 9.466 0.706 1.00 0.00 H new ATOM 0 HA LEU A 60 3.126 9.602 -1.983 1.00 0.00 H new ATOM 0 HB2 LEU A 60 3.316 7.524 -0.792 1.00 0.00 H new ATOM 0 HB3 LEU A 60 1.617 7.534 -0.362 1.00 0.00 H new ATOM 0 HG LEU A 60 2.255 5.891 -2.139 1.00 0.00 H new ATOM 0 HD11 LEU A 60 0.319 6.379 -3.584 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -0.059 6.639 -1.865 1.00 0.00 H new ATOM 0 HD13 LEU A 60 0.252 8.032 -2.929 1.00 0.00 H new ATOM 0 HD21 LEU A 60 2.611 6.736 -4.427 1.00 0.00 H new ATOM 0 HD22 LEU A 60 2.631 8.403 -3.803 1.00 0.00 H new ATOM 0 HD23 LEU A 60 3.905 7.257 -3.322 1.00 0.00 H new ATOM 895 N VAL A 61 1.146 10.248 -3.297 1.00 0.00 N ATOM 896 CA VAL A 61 0.001 10.656 -4.102 1.00 0.00 C ATOM 897 C VAL A 61 0.064 10.044 -5.497 1.00 0.00 C ATOM 898 O VAL A 61 1.144 9.871 -6.063 1.00 0.00 O ATOM 899 CB VAL A 61 -0.078 12.189 -4.229 1.00 0.00 C ATOM 900 CG1 VAL A 61 1.107 12.721 -5.020 1.00 0.00 C ATOM 901 CG2 VAL A 61 -1.391 12.602 -4.877 1.00 0.00 C ATOM 0 H VAL A 61 2.052 10.433 -3.728 1.00 0.00 H new ATOM 0 HA VAL A 61 -0.891 10.295 -3.590 1.00 0.00 H new ATOM 0 HB VAL A 61 -0.040 12.622 -3.229 1.00 0.00 H new ATOM 0 HG11 VAL A 61 1.034 13.806 -5.099 1.00 0.00 H new ATOM 0 HG12 VAL A 61 2.033 12.456 -4.510 1.00 0.00 H new ATOM 0 HG13 VAL A 61 1.104 12.283 -6.018 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -1.430 13.688 -4.959 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -1.461 12.160 -5.871 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -2.224 12.254 -4.266 1.00 0.00 H new ATOM 911 N PHE A 62 -1.101 9.718 -6.047 1.00 0.00 N ATOM 912 CA PHE A 62 -1.179 9.124 -7.377 1.00 0.00 C ATOM 913 C PHE A 62 -2.612 9.146 -7.899 1.00 0.00 C ATOM 914 O PHE A 62 -3.542 9.520 -7.182 1.00 0.00 O ATOM 915 CB PHE A 62 -0.656 7.687 -7.348 1.00 0.00 C ATOM 916 CG PHE A 62 -1.550 6.739 -6.600 1.00 0.00 C ATOM 917 CD1 PHE A 62 -2.783 6.375 -7.117 1.00 0.00 C ATOM 918 CD2 PHE A 62 -1.156 6.211 -5.381 1.00 0.00 C ATOM 919 CE1 PHE A 62 -3.607 5.504 -6.430 1.00 0.00 C ATOM 920 CE2 PHE A 62 -1.976 5.339 -4.690 1.00 0.00 C ATOM 921 CZ PHE A 62 -3.203 4.984 -5.216 1.00 0.00 C ATOM 0 H PHE A 62 -2.004 9.855 -5.593 1.00 0.00 H new ATOM 0 HA PHE A 62 -0.558 9.716 -8.049 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -0.538 7.331 -8.371 1.00 0.00 H new ATOM 0 HB3 PHE A 62 0.333 7.678 -6.891 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -3.103 6.776 -8.067 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -0.197 6.484 -4.966 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -4.567 5.230 -6.842 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -1.658 4.936 -3.740 1.00 0.00 H new ATOM 0 HZ PHE A 62 -3.845 4.301 -4.679 1.00 0.00 H new ATOM 931 N THR A 63 -2.785 8.743 -9.154 1.00 0.00 N ATOM 932 CA THR A 63 -4.104 8.717 -9.774 1.00 0.00 C ATOM 933 C THR A 63 -4.627 7.290 -9.894 1.00 0.00 C ATOM 934 O THR A 63 -4.271 6.563 -10.822 1.00 0.00 O ATOM 935 CB THR A 63 -4.080 9.362 -11.172 1.00 0.00 C ATOM 936 OG1 THR A 63 -3.633 10.719 -11.078 1.00 0.00 O ATOM 937 CG2 THR A 63 -5.460 9.320 -11.811 1.00 0.00 C ATOM 0 H THR A 63 -2.028 8.430 -9.761 1.00 0.00 H new ATOM 0 HA THR A 63 -4.768 9.291 -9.128 1.00 0.00 H new ATOM 0 HB THR A 63 -3.390 8.796 -11.798 1.00 0.00 H new ATOM 0 HG1 THR A 63 -3.619 11.121 -11.971 1.00 0.00 H new ATOM 0 HG21 THR A 63 -5.418 9.781 -12.798 1.00 0.00 H new ATOM 0 HG22 THR A 63 -5.785 8.284 -11.908 1.00 0.00 H new ATOM 0 HG23 THR A 63 -6.167 9.865 -11.186 1.00 0.00 H new ATOM 945 N LEU A 64 -5.475 6.895 -8.950 1.00 0.00 N ATOM 946 CA LEU A 64 -6.049 5.554 -8.950 1.00 0.00 C ATOM 947 C LEU A 64 -6.576 5.187 -10.334 1.00 0.00 C ATOM 948 O LEU A 64 -7.276 5.973 -10.971 1.00 0.00 O ATOM 949 CB LEU A 64 -7.176 5.460 -7.921 1.00 0.00 C ATOM 950 CG LEU A 64 -7.812 4.080 -7.745 1.00 0.00 C ATOM 951 CD1 LEU A 64 -6.806 3.100 -7.160 1.00 0.00 C ATOM 952 CD2 LEU A 64 -9.047 4.171 -6.862 1.00 0.00 C ATOM 0 H LEU A 64 -5.780 7.484 -8.175 1.00 0.00 H new ATOM 0 HA LEU A 64 -5.262 4.849 -8.683 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -6.787 5.784 -6.956 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -7.958 6.165 -8.203 1.00 0.00 H new ATOM 0 HG LEU A 64 -8.118 3.714 -8.725 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -7.276 2.124 -7.042 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -5.951 3.013 -7.830 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -6.469 3.461 -6.188 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -9.486 3.180 -6.748 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -8.766 4.559 -5.883 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -9.775 4.840 -7.322 1.00 0.00 H new ATOM 964 N GLY A 65 -6.236 3.987 -10.793 1.00 0.00 N ATOM 965 CA GLY A 65 -6.685 3.536 -12.097 1.00 0.00 C ATOM 966 C GLY A 65 -5.548 3.417 -13.093 1.00 0.00 C ATOM 967 O GLY A 65 -5.538 2.513 -13.928 1.00 0.00 O ATOM 0 H GLY A 65 -5.657 3.318 -10.285 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -7.176 2.568 -11.994 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -7.430 4.232 -12.482 1.00 0.00 H new ATOM 971 N ASP A 66 -4.590 4.333 -13.006 1.00 0.00 N ATOM 972 CA ASP A 66 -3.444 4.328 -13.907 1.00 0.00 C ATOM 973 C ASP A 66 -2.365 3.371 -13.409 1.00 0.00 C ATOM 974 O ASP A 66 -1.430 3.040 -14.139 1.00 0.00 O ATOM 975 CB ASP A 66 -2.868 5.739 -14.043 1.00 0.00 C ATOM 976 CG ASP A 66 -2.042 5.908 -15.303 1.00 0.00 C ATOM 977 OD1 ASP A 66 -0.937 5.332 -15.369 1.00 0.00 O ATOM 978 OD2 ASP A 66 -2.501 6.618 -16.222 1.00 0.00 O ATOM 0 H ASP A 66 -4.584 5.088 -12.321 1.00 0.00 H new ATOM 0 HA ASP A 66 -3.784 3.987 -14.885 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -3.683 6.462 -14.047 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -2.249 5.961 -13.174 1.00 0.00 H new ATOM 983 N CYS A 67 -2.502 2.931 -12.163 1.00 0.00 N ATOM 984 CA CYS A 67 -1.538 2.013 -11.567 1.00 0.00 C ATOM 985 C CYS A 67 -0.132 2.603 -11.601 1.00 0.00 C ATOM 986 O CYS A 67 0.833 1.913 -11.928 1.00 0.00 O ATOM 987 CB CYS A 67 -1.559 0.671 -12.299 1.00 0.00 C ATOM 988 SG CYS A 67 -3.164 -0.162 -12.269 1.00 0.00 S ATOM 0 H CYS A 67 -3.271 3.195 -11.546 1.00 0.00 H new ATOM 0 HA CYS A 67 -1.821 1.855 -10.526 1.00 0.00 H new ATOM 0 HB2 CYS A 67 -1.264 0.830 -13.336 1.00 0.00 H new ATOM 0 HB3 CYS A 67 -0.812 0.014 -11.853 1.00 0.00 H new ATOM 0 HG CYS A 67 -3.081 -1.287 -12.916 1.00 0.00 H new ATOM 994 N ASP A 68 -0.025 3.883 -11.264 1.00 0.00 N ATOM 995 CA ASP A 68 1.263 4.567 -11.256 1.00 0.00 C ATOM 996 C ASP A 68 2.113 4.111 -10.075 1.00 0.00 C ATOM 997 O ASP A 68 3.340 4.213 -10.104 1.00 0.00 O ATOM 998 CB ASP A 68 1.060 6.082 -11.200 1.00 0.00 C ATOM 999 CG ASP A 68 2.331 6.848 -11.509 1.00 0.00 C ATOM 1000 OD1 ASP A 68 2.979 6.534 -12.528 1.00 0.00 O ATOM 1001 OD2 ASP A 68 2.677 7.762 -10.730 1.00 0.00 O ATOM 0 H ASP A 68 -0.815 4.468 -10.993 1.00 0.00 H new ATOM 0 HA ASP A 68 1.787 4.313 -12.177 1.00 0.00 H new ATOM 0 HB2 ASP A 68 0.285 6.368 -11.911 1.00 0.00 H new ATOM 0 HB3 ASP A 68 0.703 6.361 -10.209 1.00 0.00 H new ATOM 1006 N VAL A 69 1.453 3.610 -9.036 1.00 0.00 N ATOM 1007 CA VAL A 69 2.148 3.138 -7.844 1.00 0.00 C ATOM 1008 C VAL A 69 2.245 1.617 -7.830 1.00 0.00 C ATOM 1009 O VAL A 69 1.808 0.948 -8.767 1.00 0.00 O ATOM 1010 CB VAL A 69 1.442 3.609 -6.559 1.00 0.00 C ATOM 1011 CG1 VAL A 69 1.635 5.104 -6.360 1.00 0.00 C ATOM 1012 CG2 VAL A 69 -0.037 3.255 -6.605 1.00 0.00 C ATOM 0 H VAL A 69 0.438 3.520 -8.995 1.00 0.00 H new ATOM 0 HA VAL A 69 3.152 3.562 -7.874 1.00 0.00 H new ATOM 0 HB VAL A 69 1.890 3.094 -5.709 1.00 0.00 H new ATOM 0 HG11 VAL A 69 1.129 5.418 -5.447 1.00 0.00 H new ATOM 0 HG12 VAL A 69 2.699 5.326 -6.280 1.00 0.00 H new ATOM 0 HG13 VAL A 69 1.215 5.641 -7.210 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -0.521 3.595 -5.689 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -0.501 3.742 -7.463 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -0.150 2.175 -6.696 1.00 0.00 H new ATOM 1022 N ILE A 70 2.820 1.076 -6.761 1.00 0.00 N ATOM 1023 CA ILE A 70 2.972 -0.367 -6.624 1.00 0.00 C ATOM 1024 C ILE A 70 1.660 -1.088 -6.914 1.00 0.00 C ATOM 1025 O ILE A 70 0.581 -0.582 -6.606 1.00 0.00 O ATOM 1026 CB ILE A 70 3.455 -0.751 -5.213 1.00 0.00 C ATOM 1027 CG1 ILE A 70 4.566 0.196 -4.755 1.00 0.00 C ATOM 1028 CG2 ILE A 70 3.939 -2.193 -5.193 1.00 0.00 C ATOM 1029 CD1 ILE A 70 5.635 0.424 -5.802 1.00 0.00 C ATOM 0 H ILE A 70 3.188 1.615 -5.977 1.00 0.00 H new ATOM 0 HA ILE A 70 3.722 -0.676 -7.352 1.00 0.00 H new ATOM 0 HB ILE A 70 2.618 -0.660 -4.521 1.00 0.00 H new ATOM 0 HG12 ILE A 70 4.126 1.155 -4.482 1.00 0.00 H new ATOM 0 HG13 ILE A 70 5.030 -0.209 -3.856 1.00 0.00 H new ATOM 0 HG21 ILE A 70 4.277 -2.449 -4.189 1.00 0.00 H new ATOM 0 HG22 ILE A 70 3.122 -2.855 -5.481 1.00 0.00 H new ATOM 0 HG23 ILE A 70 4.765 -2.309 -5.895 1.00 0.00 H new ATOM 0 HD11 ILE A 70 6.390 1.105 -5.409 1.00 0.00 H new ATOM 0 HD12 ILE A 70 6.102 -0.527 -6.058 1.00 0.00 H new ATOM 0 HD13 ILE A 70 5.184 0.858 -6.694 1.00 0.00 H new ATOM 1041 N GLN A 71 1.761 -2.274 -7.506 1.00 0.00 N ATOM 1042 CA GLN A 71 0.582 -3.065 -7.836 1.00 0.00 C ATOM 1043 C GLN A 71 -0.089 -3.595 -6.573 1.00 0.00 C ATOM 1044 O GLN A 71 -1.212 -4.096 -6.619 1.00 0.00 O ATOM 1045 CB GLN A 71 0.963 -4.230 -8.751 1.00 0.00 C ATOM 1046 CG GLN A 71 0.889 -3.890 -10.231 1.00 0.00 C ATOM 1047 CD GLN A 71 1.110 -5.099 -11.119 1.00 0.00 C ATOM 1048 OE1 GLN A 71 2.243 -5.538 -11.318 1.00 0.00 O ATOM 1049 NE2 GLN A 71 0.027 -5.644 -11.660 1.00 0.00 N ATOM 0 H GLN A 71 2.647 -2.708 -7.767 1.00 0.00 H new ATOM 0 HA GLN A 71 -0.124 -2.418 -8.357 1.00 0.00 H new ATOM 0 HB2 GLN A 71 1.976 -4.553 -8.511 1.00 0.00 H new ATOM 0 HB3 GLN A 71 0.303 -5.073 -8.547 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -0.086 -3.455 -10.452 1.00 0.00 H new ATOM 0 HG3 GLN A 71 1.637 -3.132 -10.464 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -0.893 -5.248 -11.468 1.00 0.00 H new ATOM 0 HE22 GLN A 71 0.115 -6.459 -12.267 1.00 0.00 H new ATOM 1058 N ALA A 72 0.606 -3.480 -5.447 1.00 0.00 N ATOM 1059 CA ALA A 72 0.076 -3.945 -4.171 1.00 0.00 C ATOM 1060 C ALA A 72 -0.585 -2.806 -3.403 1.00 0.00 C ATOM 1061 O ALA A 72 -1.280 -3.033 -2.412 1.00 0.00 O ATOM 1062 CB ALA A 72 1.184 -4.573 -3.337 1.00 0.00 C ATOM 0 H ALA A 72 1.538 -3.069 -5.392 1.00 0.00 H new ATOM 0 HA ALA A 72 -0.684 -4.700 -4.375 1.00 0.00 H new ATOM 0 HB1 ALA A 72 0.774 -4.916 -2.387 1.00 0.00 H new ATOM 0 HB2 ALA A 72 1.609 -5.420 -3.876 1.00 0.00 H new ATOM 0 HB3 ALA A 72 1.963 -3.833 -3.151 1.00 0.00 H new ATOM 1068 N LEU A 73 -0.364 -1.580 -3.865 1.00 0.00 N ATOM 1069 CA LEU A 73 -0.938 -0.405 -3.220 1.00 0.00 C ATOM 1070 C LEU A 73 -2.191 0.062 -3.955 1.00 0.00 C ATOM 1071 O LEU A 73 -3.213 0.356 -3.336 1.00 0.00 O ATOM 1072 CB LEU A 73 0.089 0.728 -3.171 1.00 0.00 C ATOM 1073 CG LEU A 73 -0.476 2.143 -3.045 1.00 0.00 C ATOM 1074 CD1 LEU A 73 -1.227 2.303 -1.733 1.00 0.00 C ATOM 1075 CD2 LEU A 73 0.637 3.174 -3.154 1.00 0.00 C ATOM 0 H LEU A 73 0.209 -1.374 -4.684 1.00 0.00 H new ATOM 0 HA LEU A 73 -1.216 -0.680 -2.202 1.00 0.00 H new ATOM 0 HB2 LEU A 73 0.757 0.549 -2.329 1.00 0.00 H new ATOM 0 HB3 LEU A 73 0.696 0.680 -4.075 1.00 0.00 H new ATOM 0 HG LEU A 73 -1.177 2.307 -3.863 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -1.622 3.316 -1.661 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -2.050 1.589 -1.695 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -0.548 2.118 -0.900 1.00 0.00 H new ATOM 0 HD21 LEU A 73 0.216 4.175 -3.062 1.00 0.00 H new ATOM 0 HD22 LEU A 73 1.363 3.011 -2.357 1.00 0.00 H new ATOM 0 HD23 LEU A 73 1.131 3.076 -4.121 1.00 0.00 H new ATOM 1087 N ASP A 74 -2.104 0.126 -5.279 1.00 0.00 N ATOM 1088 CA ASP A 74 -3.231 0.553 -6.100 1.00 0.00 C ATOM 1089 C ASP A 74 -4.336 -0.498 -6.095 1.00 0.00 C ATOM 1090 O ASP A 74 -5.520 -0.171 -6.190 1.00 0.00 O ATOM 1091 CB ASP A 74 -2.772 0.823 -7.534 1.00 0.00 C ATOM 1092 CG ASP A 74 -3.603 1.892 -8.216 1.00 0.00 C ATOM 1093 OD1 ASP A 74 -4.640 1.544 -8.818 1.00 0.00 O ATOM 1094 OD2 ASP A 74 -3.215 3.077 -8.149 1.00 0.00 O ATOM 0 H ASP A 74 -1.264 -0.112 -5.807 1.00 0.00 H new ATOM 0 HA ASP A 74 -3.629 1.474 -5.675 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -1.726 1.130 -7.526 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -2.829 -0.100 -8.111 1.00 0.00 H new ATOM 1099 N LEU A 75 -3.943 -1.762 -5.986 1.00 0.00 N ATOM 1100 CA LEU A 75 -4.900 -2.863 -5.970 1.00 0.00 C ATOM 1101 C LEU A 75 -5.506 -3.038 -4.581 1.00 0.00 C ATOM 1102 O LEU A 75 -6.352 -3.906 -4.367 1.00 0.00 O ATOM 1103 CB LEU A 75 -4.221 -4.162 -6.410 1.00 0.00 C ATOM 1104 CG LEU A 75 -3.902 -4.281 -7.901 1.00 0.00 C ATOM 1105 CD1 LEU A 75 -3.344 -2.970 -8.434 1.00 0.00 C ATOM 1106 CD2 LEU A 75 -2.924 -5.419 -8.148 1.00 0.00 C ATOM 0 H LEU A 75 -2.968 -2.050 -5.907 1.00 0.00 H new ATOM 0 HA LEU A 75 -5.702 -2.625 -6.669 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -3.292 -4.271 -5.850 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -4.862 -4.997 -6.128 1.00 0.00 H new ATOM 0 HG LEU A 75 -4.827 -4.502 -8.434 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -3.123 -3.074 -9.496 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -4.079 -2.177 -8.292 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -2.430 -2.718 -7.896 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -2.709 -5.489 -9.214 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -2.000 -5.229 -7.603 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -3.362 -6.356 -7.804 1.00 0.00 H new ATOM 1118 N SER A 76 -5.068 -2.207 -3.641 1.00 0.00 N ATOM 1119 CA SER A 76 -5.566 -2.270 -2.272 1.00 0.00 C ATOM 1120 C SER A 76 -6.293 -0.982 -1.898 1.00 0.00 C ATOM 1121 O SER A 76 -7.258 -1.000 -1.133 1.00 0.00 O ATOM 1122 CB SER A 76 -4.412 -2.518 -1.299 1.00 0.00 C ATOM 1123 OG SER A 76 -3.774 -1.304 -0.944 1.00 0.00 O ATOM 0 H SER A 76 -4.369 -1.482 -3.802 1.00 0.00 H new ATOM 0 HA SER A 76 -6.273 -3.097 -2.206 1.00 0.00 H new ATOM 0 HB2 SER A 76 -4.788 -3.011 -0.402 1.00 0.00 H new ATOM 0 HB3 SER A 76 -3.688 -3.194 -1.754 1.00 0.00 H new ATOM 0 HG SER A 76 -3.571 -0.792 -1.755 1.00 0.00 H new ATOM 1129 N VAL A 77 -5.824 0.135 -2.444 1.00 0.00 N ATOM 1130 CA VAL A 77 -6.429 1.433 -2.170 1.00 0.00 C ATOM 1131 C VAL A 77 -7.945 1.375 -2.320 1.00 0.00 C ATOM 1132 O VAL A 77 -8.697 1.729 -1.412 1.00 0.00 O ATOM 1133 CB VAL A 77 -5.873 2.521 -3.108 1.00 0.00 C ATOM 1134 CG1 VAL A 77 -6.902 3.621 -3.318 1.00 0.00 C ATOM 1135 CG2 VAL A 77 -4.576 3.091 -2.552 1.00 0.00 C ATOM 0 H VAL A 77 -5.026 0.167 -3.079 1.00 0.00 H new ATOM 0 HA VAL A 77 -6.178 1.688 -1.141 1.00 0.00 H new ATOM 0 HB VAL A 77 -5.658 2.068 -4.076 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -6.492 4.381 -3.983 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -7.802 3.197 -3.763 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -7.151 4.075 -2.359 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -4.197 3.858 -3.227 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -4.762 3.530 -1.572 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -3.839 2.294 -2.458 1.00 0.00 H new ATOM 1145 N PRO A 78 -8.407 0.916 -3.493 1.00 0.00 N ATOM 1146 CA PRO A 78 -9.837 0.799 -3.789 1.00 0.00 C ATOM 1147 C PRO A 78 -10.509 -0.306 -2.981 1.00 0.00 C ATOM 1148 O PRO A 78 -11.698 -0.578 -3.149 1.00 0.00 O ATOM 1149 CB PRO A 78 -9.864 0.462 -5.282 1.00 0.00 C ATOM 1150 CG PRO A 78 -8.549 -0.185 -5.547 1.00 0.00 C ATOM 1151 CD PRO A 78 -7.567 0.476 -4.619 1.00 0.00 C ATOM 0 HA PRO A 78 -10.381 1.708 -3.533 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -10.690 -0.207 -5.522 1.00 0.00 H new ATOM 0 HB3 PRO A 78 -9.994 1.359 -5.888 1.00 0.00 H new ATOM 0 HG2 PRO A 78 -8.598 -1.258 -5.363 1.00 0.00 H new ATOM 0 HG3 PRO A 78 -8.252 -0.053 -6.587 1.00 0.00 H new ATOM 0 HD2 PRO A 78 -6.791 -0.217 -4.295 1.00 0.00 H new ATOM 0 HD3 PRO A 78 -7.064 1.316 -5.098 1.00 0.00 H new ATOM 1159 N LEU A 79 -9.740 -0.941 -2.103 1.00 0.00 N ATOM 1160 CA LEU A 79 -10.260 -2.018 -1.268 1.00 0.00 C ATOM 1161 C LEU A 79 -10.242 -1.621 0.205 1.00 0.00 C ATOM 1162 O LEU A 79 -10.347 -2.472 1.088 1.00 0.00 O ATOM 1163 CB LEU A 79 -9.440 -3.292 -1.475 1.00 0.00 C ATOM 1164 CG LEU A 79 -9.181 -3.695 -2.927 1.00 0.00 C ATOM 1165 CD1 LEU A 79 -8.468 -5.037 -2.989 1.00 0.00 C ATOM 1166 CD2 LEU A 79 -10.486 -3.745 -3.708 1.00 0.00 C ATOM 0 H LEU A 79 -8.754 -0.728 -1.951 1.00 0.00 H new ATOM 0 HA LEU A 79 -11.292 -2.207 -1.562 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -8.479 -3.166 -0.977 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -9.952 -4.115 -0.976 1.00 0.00 H new ATOM 0 HG LEU A 79 -8.537 -2.943 -3.383 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -8.292 -5.308 -4.030 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -7.514 -4.967 -2.466 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -9.086 -5.800 -2.515 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -10.282 -4.033 -4.739 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -11.155 -4.475 -3.252 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -10.957 -2.762 -3.693 1.00 0.00 H new ATOM 1178 N MET A 80 -10.111 -0.324 0.462 1.00 0.00 N ATOM 1179 CA MET A 80 -10.083 0.185 1.828 1.00 0.00 C ATOM 1180 C MET A 80 -10.791 1.533 1.920 1.00 0.00 C ATOM 1181 O MET A 80 -10.710 2.351 1.004 1.00 0.00 O ATOM 1182 CB MET A 80 -8.639 0.319 2.316 1.00 0.00 C ATOM 1183 CG MET A 80 -7.916 1.530 1.748 1.00 0.00 C ATOM 1184 SD MET A 80 -6.126 1.319 1.719 1.00 0.00 S ATOM 1185 CE MET A 80 -5.760 1.284 3.472 1.00 0.00 C ATOM 0 H MET A 80 -10.023 0.394 -0.258 1.00 0.00 H new ATOM 0 HA MET A 80 -10.609 -0.526 2.465 1.00 0.00 H new ATOM 0 HB2 MET A 80 -8.636 0.382 3.404 1.00 0.00 H new ATOM 0 HB3 MET A 80 -8.088 -0.582 2.047 1.00 0.00 H new ATOM 0 HG2 MET A 80 -8.272 1.719 0.735 1.00 0.00 H new ATOM 0 HG3 MET A 80 -8.165 2.409 2.343 1.00 0.00 H new ATOM 0 HE1 MET A 80 -4.925 0.608 3.656 1.00 0.00 H new ATOM 0 HE2 MET A 80 -5.496 2.287 3.809 1.00 0.00 H new ATOM 0 HE3 MET A 80 -6.636 0.936 4.020 1.00 0.00 H new ATOM 1195 N ASP A 81 -11.484 1.758 3.031 1.00 0.00 N ATOM 1196 CA ASP A 81 -12.205 3.007 3.243 1.00 0.00 C ATOM 1197 C ASP A 81 -11.250 4.123 3.654 1.00 0.00 C ATOM 1198 O ASP A 81 -10.163 3.865 4.172 1.00 0.00 O ATOM 1199 CB ASP A 81 -13.284 2.824 4.311 1.00 0.00 C ATOM 1200 CG ASP A 81 -14.167 1.621 4.041 1.00 0.00 C ATOM 1201 OD1 ASP A 81 -15.001 1.692 3.113 1.00 0.00 O ATOM 1202 OD2 ASP A 81 -14.023 0.607 4.756 1.00 0.00 O ATOM 0 H ASP A 81 -11.561 1.091 3.799 1.00 0.00 H new ATOM 0 HA ASP A 81 -12.680 3.287 2.303 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -12.811 2.712 5.286 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -13.901 3.721 4.357 1.00 0.00 H new ATOM 1207 N VAL A 82 -11.662 5.365 3.420 1.00 0.00 N ATOM 1208 CA VAL A 82 -10.843 6.521 3.766 1.00 0.00 C ATOM 1209 C VAL A 82 -10.680 6.646 5.277 1.00 0.00 C ATOM 1210 O VAL A 82 -11.654 6.838 6.004 1.00 0.00 O ATOM 1211 CB VAL A 82 -11.452 7.825 3.217 1.00 0.00 C ATOM 1212 CG1 VAL A 82 -12.953 7.857 3.461 1.00 0.00 C ATOM 1213 CG2 VAL A 82 -10.776 9.034 3.845 1.00 0.00 C ATOM 0 H VAL A 82 -12.558 5.597 2.992 1.00 0.00 H new ATOM 0 HA VAL A 82 -9.866 6.365 3.309 1.00 0.00 H new ATOM 0 HB VAL A 82 -11.282 7.860 2.141 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -13.366 8.785 3.067 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -13.421 7.010 2.960 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -13.149 7.799 4.532 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -11.219 9.947 3.446 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -10.913 9.007 4.926 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -9.711 9.016 3.614 1.00 0.00 H new ATOM 1223 N GLY A 83 -9.440 6.535 5.744 1.00 0.00 N ATOM 1224 CA GLY A 83 -9.171 6.638 7.166 1.00 0.00 C ATOM 1225 C GLY A 83 -8.862 5.295 7.797 1.00 0.00 C ATOM 1226 O GLY A 83 -8.747 5.188 9.017 1.00 0.00 O ATOM 0 H GLY A 83 -8.617 6.376 5.163 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -8.330 7.313 7.325 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -10.034 7.080 7.665 1.00 0.00 H new ATOM 1230 N GLU A 84 -8.728 4.268 6.964 1.00 0.00 N ATOM 1231 CA GLU A 84 -8.433 2.925 7.448 1.00 0.00 C ATOM 1232 C GLU A 84 -7.016 2.508 7.068 1.00 0.00 C ATOM 1233 O GLU A 84 -6.578 2.714 5.935 1.00 0.00 O ATOM 1234 CB GLU A 84 -9.441 1.922 6.883 1.00 0.00 C ATOM 1235 CG GLU A 84 -8.985 0.476 6.988 1.00 0.00 C ATOM 1236 CD GLU A 84 -9.895 -0.478 6.239 1.00 0.00 C ATOM 1237 OE1 GLU A 84 -11.103 -0.515 6.552 1.00 0.00 O ATOM 1238 OE2 GLU A 84 -9.398 -1.188 5.340 1.00 0.00 O ATOM 0 H GLU A 84 -8.819 4.341 5.951 1.00 0.00 H new ATOM 0 HA GLU A 84 -8.511 2.934 8.535 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -10.388 2.035 7.411 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -9.629 2.160 5.836 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -7.972 0.389 6.596 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -8.946 0.186 8.038 1.00 0.00 H new ATOM 1245 N THR A 85 -6.301 1.920 8.022 1.00 0.00 N ATOM 1246 CA THR A 85 -4.933 1.475 7.789 1.00 0.00 C ATOM 1247 C THR A 85 -4.882 -0.022 7.508 1.00 0.00 C ATOM 1248 O THR A 85 -5.213 -0.837 8.369 1.00 0.00 O ATOM 1249 CB THR A 85 -4.027 1.791 8.994 1.00 0.00 C ATOM 1250 OG1 THR A 85 -3.947 3.207 9.190 1.00 0.00 O ATOM 1251 CG2 THR A 85 -2.631 1.223 8.785 1.00 0.00 C ATOM 0 H THR A 85 -6.647 1.741 8.964 1.00 0.00 H new ATOM 0 HA THR A 85 -4.568 2.018 6.917 1.00 0.00 H new ATOM 0 HB THR A 85 -4.462 1.327 9.879 1.00 0.00 H new ATOM 0 HG1 THR A 85 -3.370 3.399 9.959 1.00 0.00 H new ATOM 0 HG21 THR A 85 -2.009 1.459 9.649 1.00 0.00 H new ATOM 0 HG22 THR A 85 -2.692 0.141 8.666 1.00 0.00 H new ATOM 0 HG23 THR A 85 -2.190 1.662 7.890 1.00 0.00 H new ATOM 1259 N ALA A 86 -4.465 -0.378 6.297 1.00 0.00 N ATOM 1260 CA ALA A 86 -4.368 -1.778 5.903 1.00 0.00 C ATOM 1261 C ALA A 86 -2.986 -2.096 5.343 1.00 0.00 C ATOM 1262 O ALA A 86 -2.387 -1.280 4.643 1.00 0.00 O ATOM 1263 CB ALA A 86 -5.444 -2.115 4.882 1.00 0.00 C ATOM 0 H ALA A 86 -4.189 0.284 5.572 1.00 0.00 H new ATOM 0 HA ALA A 86 -4.521 -2.391 6.791 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -5.359 -3.164 4.597 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -6.427 -1.935 5.317 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -5.317 -1.488 4.000 1.00 0.00 H new ATOM 1269 N MET A 87 -2.485 -3.286 5.657 1.00 0.00 N ATOM 1270 CA MET A 87 -1.173 -3.712 5.183 1.00 0.00 C ATOM 1271 C MET A 87 -1.306 -4.737 4.062 1.00 0.00 C ATOM 1272 O MET A 87 -2.245 -5.533 4.043 1.00 0.00 O ATOM 1273 CB MET A 87 -0.358 -4.301 6.336 1.00 0.00 C ATOM 1274 CG MET A 87 0.745 -5.243 5.880 1.00 0.00 C ATOM 1275 SD MET A 87 2.201 -4.368 5.277 1.00 0.00 S ATOM 1276 CE MET A 87 2.769 -3.578 6.781 1.00 0.00 C ATOM 0 H MET A 87 -2.967 -3.972 6.237 1.00 0.00 H new ATOM 0 HA MET A 87 -0.654 -2.837 4.790 1.00 0.00 H new ATOM 0 HB2 MET A 87 0.085 -3.487 6.910 1.00 0.00 H new ATOM 0 HB3 MET A 87 -1.028 -4.837 7.008 1.00 0.00 H new ATOM 0 HG2 MET A 87 1.032 -5.889 6.710 1.00 0.00 H new ATOM 0 HG3 MET A 87 0.362 -5.890 5.091 1.00 0.00 H new ATOM 0 HE1 MET A 87 3.813 -3.287 6.667 1.00 0.00 H new ATOM 0 HE2 MET A 87 2.165 -2.692 6.977 1.00 0.00 H new ATOM 0 HE3 MET A 87 2.675 -4.273 7.615 1.00 0.00 H new ATOM 1286 N VAL A 88 -0.360 -4.712 3.128 1.00 0.00 N ATOM 1287 CA VAL A 88 -0.372 -5.640 2.003 1.00 0.00 C ATOM 1288 C VAL A 88 0.980 -6.327 1.844 1.00 0.00 C ATOM 1289 O VAL A 88 2.029 -5.691 1.946 1.00 0.00 O ATOM 1290 CB VAL A 88 -0.729 -4.924 0.688 1.00 0.00 C ATOM 1291 CG1 VAL A 88 -2.107 -4.287 0.783 1.00 0.00 C ATOM 1292 CG2 VAL A 88 0.326 -3.882 0.345 1.00 0.00 C ATOM 0 H VAL A 88 0.424 -4.059 3.128 1.00 0.00 H new ATOM 0 HA VAL A 88 -1.134 -6.389 2.218 1.00 0.00 H new ATOM 0 HB VAL A 88 -0.751 -5.663 -0.113 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -2.342 -3.786 -0.156 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -2.852 -5.058 0.978 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -2.116 -3.560 1.595 1.00 0.00 H new ATOM 0 HG21 VAL A 88 0.058 -3.386 -0.588 1.00 0.00 H new ATOM 0 HG22 VAL A 88 0.383 -3.144 1.145 1.00 0.00 H new ATOM 0 HG23 VAL A 88 1.295 -4.369 0.231 1.00 0.00 H new ATOM 1302 N THR A 89 0.948 -7.633 1.593 1.00 0.00 N ATOM 1303 CA THR A 89 2.170 -8.408 1.421 1.00 0.00 C ATOM 1304 C THR A 89 2.130 -9.218 0.130 1.00 0.00 C ATOM 1305 O THR A 89 1.506 -10.277 0.070 1.00 0.00 O ATOM 1306 CB THR A 89 2.402 -9.363 2.606 1.00 0.00 C ATOM 1307 OG1 THR A 89 1.183 -10.040 2.935 1.00 0.00 O ATOM 1308 CG2 THR A 89 2.910 -8.604 3.822 1.00 0.00 C ATOM 0 H THR A 89 0.089 -8.175 1.504 1.00 0.00 H new ATOM 0 HA THR A 89 2.992 -7.694 1.374 1.00 0.00 H new ATOM 0 HB THR A 89 3.156 -10.094 2.313 1.00 0.00 H new ATOM 0 HG1 THR A 89 0.625 -9.457 3.491 1.00 0.00 H new ATOM 0 HG21 THR A 89 3.066 -9.300 4.646 1.00 0.00 H new ATOM 0 HG22 THR A 89 3.852 -8.114 3.577 1.00 0.00 H new ATOM 0 HG23 THR A 89 2.176 -7.854 4.115 1.00 0.00 H new ATOM 1316 N ALA A 90 2.800 -8.714 -0.901 1.00 0.00 N ATOM 1317 CA ALA A 90 2.843 -9.393 -2.190 1.00 0.00 C ATOM 1318 C ALA A 90 4.278 -9.701 -2.601 1.00 0.00 C ATOM 1319 O ALA A 90 5.228 -9.228 -1.976 1.00 0.00 O ATOM 1320 CB ALA A 90 2.157 -8.548 -3.254 1.00 0.00 C ATOM 0 H ALA A 90 3.321 -7.837 -0.869 1.00 0.00 H new ATOM 0 HA ALA A 90 2.310 -10.339 -2.093 1.00 0.00 H new ATOM 0 HB1 ALA A 90 2.196 -9.067 -4.212 1.00 0.00 H new ATOM 0 HB2 ALA A 90 1.117 -8.383 -2.973 1.00 0.00 H new ATOM 0 HB3 ALA A 90 2.666 -7.588 -3.340 1.00 0.00 H new ATOM 1326 N ASP A 91 4.429 -10.497 -3.654 1.00 0.00 N ATOM 1327 CA ASP A 91 5.750 -10.869 -4.148 1.00 0.00 C ATOM 1328 C ASP A 91 6.398 -9.706 -4.894 1.00 0.00 C ATOM 1329 O ASP A 91 5.711 -8.891 -5.510 1.00 0.00 O ATOM 1330 CB ASP A 91 5.650 -12.088 -5.067 1.00 0.00 C ATOM 1331 CG ASP A 91 6.921 -12.323 -5.858 1.00 0.00 C ATOM 1332 OD1 ASP A 91 8.013 -12.031 -5.326 1.00 0.00 O ATOM 1333 OD2 ASP A 91 6.825 -12.797 -7.009 1.00 0.00 O ATOM 0 H ASP A 91 3.653 -10.897 -4.182 1.00 0.00 H new ATOM 0 HA ASP A 91 6.374 -11.121 -3.290 1.00 0.00 H new ATOM 0 HB2 ASP A 91 5.429 -12.972 -4.470 1.00 0.00 H new ATOM 0 HB3 ASP A 91 4.817 -11.952 -5.756 1.00 0.00 H new ATOM 1338 N SER A 92 7.724 -9.636 -4.833 1.00 0.00 N ATOM 1339 CA SER A 92 8.464 -8.571 -5.498 1.00 0.00 C ATOM 1340 C SER A 92 7.895 -8.299 -6.887 1.00 0.00 C ATOM 1341 O SER A 92 7.913 -7.165 -7.368 1.00 0.00 O ATOM 1342 CB SER A 92 9.945 -8.940 -5.604 1.00 0.00 C ATOM 1343 OG SER A 92 10.705 -7.858 -6.115 1.00 0.00 O ATOM 0 H SER A 92 8.307 -10.304 -4.330 1.00 0.00 H new ATOM 0 HA SER A 92 8.364 -7.665 -4.900 1.00 0.00 H new ATOM 0 HB2 SER A 92 10.324 -9.223 -4.622 1.00 0.00 H new ATOM 0 HB3 SER A 92 10.061 -9.808 -6.252 1.00 0.00 H new ATOM 0 HG SER A 92 10.867 -7.995 -7.072 1.00 0.00 H new ATOM 1349 N LYS A 93 7.390 -9.348 -7.528 1.00 0.00 N ATOM 1350 CA LYS A 93 6.814 -9.225 -8.862 1.00 0.00 C ATOM 1351 C LYS A 93 5.794 -8.092 -8.912 1.00 0.00 C ATOM 1352 O LYS A 93 5.766 -7.309 -9.862 1.00 0.00 O ATOM 1353 CB LYS A 93 6.152 -10.541 -9.277 1.00 0.00 C ATOM 1354 CG LYS A 93 4.813 -10.787 -8.603 1.00 0.00 C ATOM 1355 CD LYS A 93 4.127 -12.023 -9.160 1.00 0.00 C ATOM 1356 CE LYS A 93 4.893 -13.290 -8.811 1.00 0.00 C ATOM 1357 NZ LYS A 93 4.360 -14.477 -9.535 1.00 0.00 N ATOM 0 H LYS A 93 7.368 -10.293 -7.145 1.00 0.00 H new ATOM 0 HA LYS A 93 7.620 -8.995 -9.559 1.00 0.00 H new ATOM 0 HB2 LYS A 93 6.011 -10.542 -10.358 1.00 0.00 H new ATOM 0 HB3 LYS A 93 6.824 -11.366 -9.042 1.00 0.00 H new ATOM 0 HG2 LYS A 93 4.961 -10.905 -7.530 1.00 0.00 H new ATOM 0 HG3 LYS A 93 4.169 -9.918 -8.743 1.00 0.00 H new ATOM 0 HD2 LYS A 93 3.114 -12.088 -8.763 1.00 0.00 H new ATOM 0 HD3 LYS A 93 4.040 -11.936 -10.243 1.00 0.00 H new ATOM 0 HE2 LYS A 93 5.946 -13.157 -9.057 1.00 0.00 H new ATOM 0 HE3 LYS A 93 4.836 -13.464 -7.737 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 4.908 -15.320 -9.270 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 3.362 -14.619 -9.281 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 4.437 -14.322 -10.560 1.00 0.00 H new ATOM 1371 N TYR A 94 4.957 -8.010 -7.883 1.00 0.00 N ATOM 1372 CA TYR A 94 3.935 -6.973 -7.810 1.00 0.00 C ATOM 1373 C TYR A 94 4.512 -5.677 -7.249 1.00 0.00 C ATOM 1374 O TYR A 94 3.957 -4.597 -7.456 1.00 0.00 O ATOM 1375 CB TYR A 94 2.765 -7.441 -6.942 1.00 0.00 C ATOM 1376 CG TYR A 94 2.032 -8.636 -7.508 1.00 0.00 C ATOM 1377 CD1 TYR A 94 1.196 -8.505 -8.610 1.00 0.00 C ATOM 1378 CD2 TYR A 94 2.173 -9.896 -6.941 1.00 0.00 C ATOM 1379 CE1 TYR A 94 0.523 -9.593 -9.130 1.00 0.00 C ATOM 1380 CE2 TYR A 94 1.506 -10.991 -7.455 1.00 0.00 C ATOM 1381 CZ TYR A 94 0.681 -10.834 -8.550 1.00 0.00 C ATOM 1382 OH TYR A 94 0.013 -11.922 -9.064 1.00 0.00 O ATOM 0 H TYR A 94 4.967 -8.649 -7.088 1.00 0.00 H new ATOM 0 HA TYR A 94 3.576 -6.781 -8.821 1.00 0.00 H new ATOM 0 HB2 TYR A 94 3.138 -7.691 -5.949 1.00 0.00 H new ATOM 0 HB3 TYR A 94 2.061 -6.618 -6.821 1.00 0.00 H new ATOM 0 HD1 TYR A 94 1.070 -7.535 -9.068 1.00 0.00 H new ATOM 0 HD2 TYR A 94 2.816 -10.022 -6.082 1.00 0.00 H new ATOM 0 HE1 TYR A 94 -0.124 -9.473 -9.987 1.00 0.00 H new ATOM 0 HE2 TYR A 94 1.629 -11.964 -7.003 1.00 0.00 H new ATOM 0 HH TYR A 94 0.235 -12.720 -8.540 1.00 0.00 H new ATOM 1392 N CYS A 95 5.629 -5.793 -6.540 1.00 0.00 N ATOM 1393 CA CYS A 95 6.283 -4.631 -5.948 1.00 0.00 C ATOM 1394 C CYS A 95 7.081 -3.864 -6.996 1.00 0.00 C ATOM 1395 O CYS A 95 6.733 -2.740 -7.357 1.00 0.00 O ATOM 1396 CB CYS A 95 7.202 -5.065 -4.805 1.00 0.00 C ATOM 1397 SG CYS A 95 6.368 -5.996 -3.499 1.00 0.00 S ATOM 0 H CYS A 95 6.101 -6.679 -6.361 1.00 0.00 H new ATOM 0 HA CYS A 95 5.510 -3.972 -5.553 1.00 0.00 H new ATOM 0 HB2 CYS A 95 8.008 -5.675 -5.213 1.00 0.00 H new ATOM 0 HB3 CYS A 95 7.663 -4.179 -4.367 1.00 0.00 H new ATOM 0 HG CYS A 95 5.976 -7.144 -3.967 1.00 0.00 H new ATOM 1403 N TYR A 96 8.155 -4.479 -7.481 1.00 0.00 N ATOM 1404 CA TYR A 96 9.006 -3.852 -8.485 1.00 0.00 C ATOM 1405 C TYR A 96 9.195 -4.770 -9.689 1.00 0.00 C ATOM 1406 O TYR A 96 9.310 -4.309 -10.824 1.00 0.00 O ATOM 1407 CB TYR A 96 10.366 -3.497 -7.882 1.00 0.00 C ATOM 1408 CG TYR A 96 10.300 -2.402 -6.842 1.00 0.00 C ATOM 1409 CD1 TYR A 96 9.741 -2.636 -5.592 1.00 0.00 C ATOM 1410 CD2 TYR A 96 10.798 -1.132 -7.109 1.00 0.00 C ATOM 1411 CE1 TYR A 96 9.678 -1.637 -4.639 1.00 0.00 C ATOM 1412 CE2 TYR A 96 10.741 -0.128 -6.162 1.00 0.00 C ATOM 1413 CZ TYR A 96 10.179 -0.386 -4.929 1.00 0.00 C ATOM 1414 OH TYR A 96 10.120 0.611 -3.982 1.00 0.00 O ATOM 0 H TYR A 96 8.456 -5.411 -7.195 1.00 0.00 H new ATOM 0 HA TYR A 96 8.515 -2.938 -8.821 1.00 0.00 H new ATOM 0 HB2 TYR A 96 10.798 -4.390 -7.430 1.00 0.00 H new ATOM 0 HB3 TYR A 96 11.039 -3.187 -8.682 1.00 0.00 H new ATOM 0 HD1 TYR A 96 9.349 -3.615 -5.361 1.00 0.00 H new ATOM 0 HD2 TYR A 96 11.237 -0.927 -8.074 1.00 0.00 H new ATOM 0 HE1 TYR A 96 9.239 -1.835 -3.673 1.00 0.00 H new ATOM 0 HE2 TYR A 96 11.134 0.853 -6.386 1.00 0.00 H new ATOM 0 HH TYR A 96 10.517 1.430 -4.345 1.00 0.00 H new ATOM 1424 N GLY A 97 9.225 -6.074 -9.431 1.00 0.00 N ATOM 1425 CA GLY A 97 9.400 -7.038 -10.502 1.00 0.00 C ATOM 1426 C GLY A 97 10.500 -8.039 -10.208 1.00 0.00 C ATOM 1427 O GLY A 97 11.370 -7.808 -9.368 1.00 0.00 O ATOM 0 H GLY A 97 9.131 -6.480 -8.500 1.00 0.00 H new ATOM 0 HA2 GLY A 97 8.463 -7.570 -10.664 1.00 0.00 H new ATOM 0 HA3 GLY A 97 9.631 -6.510 -11.427 1.00 0.00 H new ATOM 1431 N PRO A 98 10.468 -9.181 -10.910 1.00 0.00 N ATOM 1432 CA PRO A 98 11.463 -10.244 -10.736 1.00 0.00 C ATOM 1433 C PRO A 98 12.837 -9.844 -11.262 1.00 0.00 C ATOM 1434 O PRO A 98 13.782 -10.631 -11.217 1.00 0.00 O ATOM 1435 CB PRO A 98 10.892 -11.402 -11.559 1.00 0.00 C ATOM 1436 CG PRO A 98 10.031 -10.749 -12.585 1.00 0.00 C ATOM 1437 CD PRO A 98 9.460 -9.523 -11.927 1.00 0.00 C ATOM 0 HA PRO A 98 11.621 -10.486 -9.685 1.00 0.00 H new ATOM 0 HB2 PRO A 98 11.686 -11.987 -12.023 1.00 0.00 H new ATOM 0 HB3 PRO A 98 10.316 -12.085 -10.935 1.00 0.00 H new ATOM 0 HG2 PRO A 98 10.611 -10.483 -13.469 1.00 0.00 H new ATOM 0 HG3 PRO A 98 9.238 -11.421 -12.914 1.00 0.00 H new ATOM 0 HD2 PRO A 98 9.319 -8.712 -12.642 1.00 0.00 H new ATOM 0 HD3 PRO A 98 8.488 -9.724 -11.477 1.00 0.00 H new ATOM 1445 N GLN A 99 12.940 -8.616 -11.760 1.00 0.00 N ATOM 1446 CA GLN A 99 14.200 -8.112 -12.295 1.00 0.00 C ATOM 1447 C GLN A 99 14.897 -7.208 -11.285 1.00 0.00 C ATOM 1448 O GLN A 99 16.121 -7.084 -11.288 1.00 0.00 O ATOM 1449 CB GLN A 99 13.956 -7.349 -13.598 1.00 0.00 C ATOM 1450 CG GLN A 99 13.116 -6.095 -13.421 1.00 0.00 C ATOM 1451 CD GLN A 99 12.573 -5.566 -14.733 1.00 0.00 C ATOM 1452 OE1 GLN A 99 12.869 -6.101 -15.802 1.00 0.00 O ATOM 1453 NE2 GLN A 99 11.773 -4.508 -14.660 1.00 0.00 N ATOM 0 H GLN A 99 12.167 -7.952 -11.804 1.00 0.00 H new ATOM 0 HA GLN A 99 14.847 -8.965 -12.498 1.00 0.00 H new ATOM 0 HB2 GLN A 99 14.917 -7.074 -14.034 1.00 0.00 H new ATOM 0 HB3 GLN A 99 13.461 -8.010 -14.309 1.00 0.00 H new ATOM 0 HG2 GLN A 99 12.285 -6.311 -12.749 1.00 0.00 H new ATOM 0 HG3 GLN A 99 13.719 -5.323 -12.944 1.00 0.00 H new ATOM 0 HE21 GLN A 99 11.554 -4.096 -13.753 1.00 0.00 H new ATOM 0 HE22 GLN A 99 11.378 -4.108 -15.511 1.00 0.00 H new ATOM 1462 N GLY A 100 14.109 -6.575 -10.420 1.00 0.00 N ATOM 1463 CA GLY A 100 14.669 -5.689 -9.417 1.00 0.00 C ATOM 1464 C GLY A 100 14.377 -4.230 -9.704 1.00 0.00 C ATOM 1465 O GLY A 100 13.809 -3.896 -10.744 1.00 0.00 O ATOM 0 H GLY A 100 13.093 -6.661 -10.397 1.00 0.00 H new ATOM 0 HA2 GLY A 100 14.266 -5.951 -8.439 1.00 0.00 H new ATOM 0 HA3 GLY A 100 15.748 -5.837 -9.367 1.00 0.00 H new ATOM 1469 N SER A 101 14.765 -3.357 -8.779 1.00 0.00 N ATOM 1470 CA SER A 101 14.536 -1.925 -8.936 1.00 0.00 C ATOM 1471 C SER A 101 15.851 -1.188 -9.171 1.00 0.00 C ATOM 1472 O SER A 101 16.930 -1.773 -9.070 1.00 0.00 O ATOM 1473 CB SER A 101 13.836 -1.361 -7.698 1.00 0.00 C ATOM 1474 OG SER A 101 13.347 -0.053 -7.941 1.00 0.00 O ATOM 0 H SER A 101 15.239 -3.616 -7.914 1.00 0.00 H new ATOM 0 HA SER A 101 13.896 -1.777 -9.806 1.00 0.00 H new ATOM 0 HB2 SER A 101 13.011 -2.014 -7.413 1.00 0.00 H new ATOM 0 HB3 SER A 101 14.532 -1.343 -6.859 1.00 0.00 H new ATOM 0 HG SER A 101 12.531 0.093 -7.419 1.00 0.00 H new ATOM 1480 N ARG A 102 15.752 0.099 -9.485 1.00 0.00 N ATOM 1481 CA ARG A 102 16.933 0.917 -9.736 1.00 0.00 C ATOM 1482 C ARG A 102 17.180 1.884 -8.581 1.00 0.00 C ATOM 1483 O ARG A 102 18.312 2.046 -8.126 1.00 0.00 O ATOM 1484 CB ARG A 102 16.771 1.697 -11.042 1.00 0.00 C ATOM 1485 CG ARG A 102 18.014 2.471 -11.448 1.00 0.00 C ATOM 1486 CD ARG A 102 18.968 1.606 -12.258 1.00 0.00 C ATOM 1487 NE ARG A 102 20.319 2.162 -12.288 1.00 0.00 N ATOM 1488 CZ ARG A 102 21.192 2.026 -11.296 1.00 0.00 C ATOM 1489 NH1 ARG A 102 20.858 1.356 -10.202 1.00 0.00 N ATOM 1490 NH2 ARG A 102 22.402 2.561 -11.398 1.00 0.00 N ATOM 0 H ARG A 102 14.867 0.598 -9.572 1.00 0.00 H new ATOM 0 HA ARG A 102 17.793 0.253 -9.822 1.00 0.00 H new ATOM 0 HB2 ARG A 102 16.509 1.002 -11.840 1.00 0.00 H new ATOM 0 HB3 ARG A 102 15.938 2.392 -10.939 1.00 0.00 H new ATOM 0 HG2 ARG A 102 17.726 3.344 -12.034 1.00 0.00 H new ATOM 0 HG3 ARG A 102 18.522 2.839 -10.557 1.00 0.00 H new ATOM 0 HD2 ARG A 102 18.998 0.603 -11.832 1.00 0.00 H new ATOM 0 HD3 ARG A 102 18.593 1.509 -13.277 1.00 0.00 H new ATOM 0 HE ARG A 102 20.608 2.683 -13.116 1.00 0.00 H new ATOM 0 HH11 ARG A 102 19.929 0.943 -10.120 1.00 0.00 H new ATOM 0 HH12 ARG A 102 21.530 1.253 -9.442 1.00 0.00 H new ATOM 0 HH21 ARG A 102 22.662 3.077 -12.238 1.00 0.00 H new ATOM 0 HH22 ARG A 102 23.072 2.456 -10.636 1.00 0.00 H new ATOM 1504 N SER A 103 16.113 2.524 -8.114 1.00 0.00 N ATOM 1505 CA SER A 103 16.215 3.478 -7.015 1.00 0.00 C ATOM 1506 C SER A 103 14.830 3.901 -6.534 1.00 0.00 C ATOM 1507 O SER A 103 14.108 4.635 -7.208 1.00 0.00 O ATOM 1508 CB SER A 103 17.013 4.707 -7.452 1.00 0.00 C ATOM 1509 OG SER A 103 18.399 4.526 -7.215 1.00 0.00 O ATOM 0 H SER A 103 15.169 2.400 -8.479 1.00 0.00 H new ATOM 0 HA SER A 103 16.735 2.991 -6.190 1.00 0.00 H new ATOM 0 HB2 SER A 103 16.844 4.896 -8.512 1.00 0.00 H new ATOM 0 HB3 SER A 103 16.660 5.585 -6.911 1.00 0.00 H new ATOM 0 HG SER A 103 18.687 3.671 -7.597 1.00 0.00 H new ATOM 1515 N PRO A 104 14.451 3.428 -5.337 1.00 0.00 N ATOM 1516 CA PRO A 104 15.302 2.554 -4.525 1.00 0.00 C ATOM 1517 C PRO A 104 15.455 1.165 -5.136 1.00 0.00 C ATOM 1518 O PRO A 104 14.472 0.536 -5.528 1.00 0.00 O ATOM 1519 CB PRO A 104 14.557 2.472 -3.191 1.00 0.00 C ATOM 1520 CG PRO A 104 13.133 2.741 -3.535 1.00 0.00 C ATOM 1521 CD PRO A 104 13.161 3.710 -4.685 1.00 0.00 C ATOM 0 HA PRO A 104 16.318 2.940 -4.438 1.00 0.00 H new ATOM 0 HB2 PRO A 104 14.675 1.491 -2.732 1.00 0.00 H new ATOM 0 HB3 PRO A 104 14.938 3.205 -2.479 1.00 0.00 H new ATOM 0 HG2 PRO A 104 12.618 1.821 -3.812 1.00 0.00 H new ATOM 0 HG3 PRO A 104 12.598 3.161 -2.683 1.00 0.00 H new ATOM 0 HD2 PRO A 104 12.324 3.551 -5.365 1.00 0.00 H new ATOM 0 HD3 PRO A 104 13.101 4.743 -4.342 1.00 0.00 H new ATOM 1529 N TYR A 105 16.694 0.691 -5.212 1.00 0.00 N ATOM 1530 CA TYR A 105 16.975 -0.624 -5.777 1.00 0.00 C ATOM 1531 C TYR A 105 16.450 -1.731 -4.868 1.00 0.00 C ATOM 1532 O TYR A 105 16.532 -1.635 -3.643 1.00 0.00 O ATOM 1533 CB TYR A 105 18.480 -0.797 -5.993 1.00 0.00 C ATOM 1534 CG TYR A 105 18.881 -2.210 -6.354 1.00 0.00 C ATOM 1535 CD1 TYR A 105 18.793 -3.237 -5.423 1.00 0.00 C ATOM 1536 CD2 TYR A 105 19.348 -2.517 -7.626 1.00 0.00 C ATOM 1537 CE1 TYR A 105 19.159 -4.529 -5.748 1.00 0.00 C ATOM 1538 CE2 TYR A 105 19.714 -3.806 -7.961 1.00 0.00 C ATOM 1539 CZ TYR A 105 19.618 -4.809 -7.018 1.00 0.00 C ATOM 1540 OH TYR A 105 19.984 -6.094 -7.347 1.00 0.00 O ATOM 0 H TYR A 105 17.519 1.197 -4.890 1.00 0.00 H new ATOM 0 HA TYR A 105 16.465 -0.696 -6.738 1.00 0.00 H new ATOM 0 HB2 TYR A 105 18.805 -0.122 -6.785 1.00 0.00 H new ATOM 0 HB3 TYR A 105 19.005 -0.500 -5.086 1.00 0.00 H new ATOM 0 HD1 TYR A 105 18.432 -3.022 -4.428 1.00 0.00 H new ATOM 0 HD2 TYR A 105 19.426 -1.734 -8.366 1.00 0.00 H new ATOM 0 HE1 TYR A 105 19.086 -5.315 -5.011 1.00 0.00 H new ATOM 0 HE2 TYR A 105 20.073 -4.028 -8.955 1.00 0.00 H new ATOM 0 HH TYR A 105 20.283 -6.120 -8.280 1.00 0.00 H new ATOM 1550 N ILE A 106 15.912 -2.782 -5.477 1.00 0.00 N ATOM 1551 CA ILE A 106 15.375 -3.909 -4.724 1.00 0.00 C ATOM 1552 C ILE A 106 15.700 -5.232 -5.408 1.00 0.00 C ATOM 1553 O ILE A 106 15.668 -5.350 -6.633 1.00 0.00 O ATOM 1554 CB ILE A 106 13.849 -3.794 -4.551 1.00 0.00 C ATOM 1555 CG1 ILE A 106 13.134 -4.240 -5.829 1.00 0.00 C ATOM 1556 CG2 ILE A 106 13.462 -2.367 -4.192 1.00 0.00 C ATOM 1557 CD1 ILE A 106 12.823 -5.720 -5.862 1.00 0.00 C ATOM 0 H ILE A 106 15.836 -2.877 -6.490 1.00 0.00 H new ATOM 0 HA ILE A 106 15.847 -3.886 -3.742 1.00 0.00 H new ATOM 0 HB ILE A 106 13.540 -4.449 -3.736 1.00 0.00 H new ATOM 0 HG12 ILE A 106 12.205 -3.679 -5.930 1.00 0.00 H new ATOM 0 HG13 ILE A 106 13.754 -3.988 -6.689 1.00 0.00 H new ATOM 0 HG21 ILE A 106 12.380 -2.302 -4.073 1.00 0.00 H new ATOM 0 HG22 ILE A 106 13.947 -2.082 -3.258 1.00 0.00 H new ATOM 0 HG23 ILE A 106 13.781 -1.693 -4.987 1.00 0.00 H new ATOM 0 HD11 ILE A 106 12.317 -5.965 -6.796 1.00 0.00 H new ATOM 0 HD12 ILE A 106 13.750 -6.288 -5.792 1.00 0.00 H new ATOM 0 HD13 ILE A 106 12.177 -5.975 -5.022 1.00 0.00 H new ATOM 1569 N PRO A 107 16.019 -6.254 -4.600 1.00 0.00 N ATOM 1570 CA PRO A 107 16.353 -7.589 -5.105 1.00 0.00 C ATOM 1571 C PRO A 107 15.143 -8.305 -5.695 1.00 0.00 C ATOM 1572 O PRO A 107 14.013 -8.148 -5.234 1.00 0.00 O ATOM 1573 CB PRO A 107 16.855 -8.324 -3.859 1.00 0.00 C ATOM 1574 CG PRO A 107 16.200 -7.625 -2.718 1.00 0.00 C ATOM 1575 CD PRO A 107 16.076 -6.185 -3.130 1.00 0.00 C ATOM 0 HA PRO A 107 17.081 -7.548 -5.915 1.00 0.00 H new ATOM 0 HB2 PRO A 107 16.583 -9.379 -3.885 1.00 0.00 H new ATOM 0 HB3 PRO A 107 17.941 -8.276 -3.782 1.00 0.00 H new ATOM 0 HG2 PRO A 107 15.221 -8.056 -2.506 1.00 0.00 H new ATOM 0 HG3 PRO A 107 16.794 -7.721 -1.809 1.00 0.00 H new ATOM 0 HD2 PRO A 107 15.180 -5.724 -2.714 1.00 0.00 H new ATOM 0 HD3 PRO A 107 16.926 -5.595 -2.788 1.00 0.00 H new ATOM 1583 N PRO A 108 15.384 -9.111 -6.740 1.00 0.00 N ATOM 1584 CA PRO A 108 14.326 -9.869 -7.415 1.00 0.00 C ATOM 1585 C PRO A 108 13.775 -10.995 -6.547 1.00 0.00 C ATOM 1586 O PRO A 108 14.494 -11.571 -5.729 1.00 0.00 O ATOM 1587 CB PRO A 108 15.030 -10.439 -8.648 1.00 0.00 C ATOM 1588 CG PRO A 108 16.468 -10.508 -8.266 1.00 0.00 C ATOM 1589 CD PRO A 108 16.707 -9.346 -7.342 1.00 0.00 C ATOM 0 HA PRO A 108 13.464 -9.245 -7.650 1.00 0.00 H new ATOM 0 HB2 PRO A 108 14.641 -11.424 -8.906 1.00 0.00 H new ATOM 0 HB3 PRO A 108 14.882 -9.800 -9.519 1.00 0.00 H new ATOM 0 HG2 PRO A 108 16.696 -11.453 -7.772 1.00 0.00 H new ATOM 0 HG3 PRO A 108 17.109 -10.446 -9.145 1.00 0.00 H new ATOM 0 HD2 PRO A 108 17.456 -9.581 -6.586 1.00 0.00 H new ATOM 0 HD3 PRO A 108 17.064 -8.469 -7.883 1.00 0.00 H new ATOM 1597 N HIS A 109 12.496 -11.306 -6.730 1.00 0.00 N ATOM 1598 CA HIS A 109 11.850 -12.366 -5.964 1.00 0.00 C ATOM 1599 C HIS A 109 12.004 -12.124 -4.465 1.00 0.00 C ATOM 1600 O HIS A 109 12.092 -13.068 -3.680 1.00 0.00 O ATOM 1601 CB HIS A 109 12.440 -13.726 -6.336 1.00 0.00 C ATOM 1602 CG HIS A 109 12.399 -14.015 -7.805 1.00 0.00 C ATOM 1603 ND1 HIS A 109 11.278 -13.809 -8.582 1.00 0.00 N ATOM 1604 CD2 HIS A 109 13.350 -14.496 -8.640 1.00 0.00 C ATOM 1605 CE1 HIS A 109 11.541 -14.152 -9.830 1.00 0.00 C ATOM 1606 NE2 HIS A 109 12.792 -14.572 -9.892 1.00 0.00 N ATOM 0 H HIS A 109 11.886 -10.839 -7.402 1.00 0.00 H new ATOM 0 HA HIS A 109 10.788 -12.361 -6.208 1.00 0.00 H new ATOM 0 HB2 HIS A 109 13.474 -13.770 -5.994 1.00 0.00 H new ATOM 0 HB3 HIS A 109 11.895 -14.507 -5.805 1.00 0.00 H new ATOM 0 HD2 HIS A 109 14.360 -14.769 -8.371 1.00 0.00 H new ATOM 0 HE1 HIS A 109 10.851 -14.098 -10.659 1.00 0.00 H new ATOM 0 HE2 HIS A 109 13.266 -14.900 -10.734 1.00 0.00 H new ATOM 1615 N ALA A 110 12.036 -10.854 -4.076 1.00 0.00 N ATOM 1616 CA ALA A 110 12.178 -10.488 -2.672 1.00 0.00 C ATOM 1617 C ALA A 110 10.944 -9.746 -2.170 1.00 0.00 C ATOM 1618 O ALA A 110 10.803 -8.542 -2.384 1.00 0.00 O ATOM 1619 CB ALA A 110 13.425 -9.640 -2.471 1.00 0.00 C ATOM 0 H ALA A 110 11.965 -10.061 -4.713 1.00 0.00 H new ATOM 0 HA ALA A 110 12.279 -11.405 -2.092 1.00 0.00 H new ATOM 0 HB1 ALA A 110 13.518 -9.374 -1.418 1.00 0.00 H new ATOM 0 HB2 ALA A 110 14.304 -10.205 -2.782 1.00 0.00 H new ATOM 0 HB3 ALA A 110 13.348 -8.732 -3.069 1.00 0.00 H new ATOM 1625 N ALA A 111 10.053 -10.472 -1.503 1.00 0.00 N ATOM 1626 CA ALA A 111 8.832 -9.881 -0.970 1.00 0.00 C ATOM 1627 C ALA A 111 9.130 -8.588 -0.220 1.00 0.00 C ATOM 1628 O ALA A 111 10.260 -8.353 0.210 1.00 0.00 O ATOM 1629 CB ALA A 111 8.121 -10.871 -0.059 1.00 0.00 C ATOM 0 H ALA A 111 10.154 -11.470 -1.319 1.00 0.00 H new ATOM 0 HA ALA A 111 8.178 -9.641 -1.808 1.00 0.00 H new ATOM 0 HB1 ALA A 111 7.211 -10.417 0.332 1.00 0.00 H new ATOM 0 HB2 ALA A 111 7.865 -11.767 -0.625 1.00 0.00 H new ATOM 0 HB3 ALA A 111 8.777 -11.140 0.769 1.00 0.00 H new ATOM 1635 N LEU A 112 8.110 -7.750 -0.066 1.00 0.00 N ATOM 1636 CA LEU A 112 8.263 -6.479 0.632 1.00 0.00 C ATOM 1637 C LEU A 112 6.962 -6.075 1.319 1.00 0.00 C ATOM 1638 O LEU A 112 5.893 -6.095 0.708 1.00 0.00 O ATOM 1639 CB LEU A 112 8.696 -5.386 -0.346 1.00 0.00 C ATOM 1640 CG LEU A 112 9.963 -5.671 -1.154 1.00 0.00 C ATOM 1641 CD1 LEU A 112 9.919 -4.946 -2.490 1.00 0.00 C ATOM 1642 CD2 LEU A 112 11.200 -5.267 -0.365 1.00 0.00 C ATOM 0 H LEU A 112 7.168 -7.928 -0.415 1.00 0.00 H new ATOM 0 HA LEU A 112 9.033 -6.602 1.394 1.00 0.00 H new ATOM 0 HB2 LEU A 112 7.878 -5.205 -1.043 1.00 0.00 H new ATOM 0 HB3 LEU A 112 8.847 -4.464 0.215 1.00 0.00 H new ATOM 0 HG LEU A 112 10.014 -6.742 -1.348 1.00 0.00 H new ATOM 0 HD11 LEU A 112 10.829 -5.161 -3.051 1.00 0.00 H new ATOM 0 HD12 LEU A 112 9.053 -5.285 -3.059 1.00 0.00 H new ATOM 0 HD13 LEU A 112 9.843 -3.872 -2.319 1.00 0.00 H new ATOM 0 HD21 LEU A 112 12.092 -5.477 -0.955 1.00 0.00 H new ATOM 0 HD22 LEU A 112 11.156 -4.201 -0.140 1.00 0.00 H new ATOM 0 HD23 LEU A 112 11.239 -5.833 0.566 1.00 0.00 H new ATOM 1654 N CYS A 113 7.061 -5.708 2.592 1.00 0.00 N ATOM 1655 CA CYS A 113 5.893 -5.297 3.363 1.00 0.00 C ATOM 1656 C CYS A 113 5.538 -3.841 3.080 1.00 0.00 C ATOM 1657 O CYS A 113 6.389 -2.955 3.170 1.00 0.00 O ATOM 1658 CB CYS A 113 6.148 -5.492 4.858 1.00 0.00 C ATOM 1659 SG CYS A 113 5.972 -7.201 5.421 1.00 0.00 S ATOM 0 H CYS A 113 7.938 -5.687 3.112 1.00 0.00 H new ATOM 0 HA CYS A 113 5.052 -5.921 3.061 1.00 0.00 H new ATOM 0 HB2 CYS A 113 7.155 -5.146 5.092 1.00 0.00 H new ATOM 0 HB3 CYS A 113 5.456 -4.863 5.419 1.00 0.00 H new ATOM 0 HG CYS A 113 6.209 -7.264 6.698 1.00 0.00 H new ATOM 1665 N LEU A 114 4.278 -3.600 2.735 1.00 0.00 N ATOM 1666 CA LEU A 114 3.811 -2.251 2.437 1.00 0.00 C ATOM 1667 C LEU A 114 2.578 -1.906 3.265 1.00 0.00 C ATOM 1668 O LEU A 114 1.565 -2.603 3.206 1.00 0.00 O ATOM 1669 CB LEU A 114 3.492 -2.118 0.947 1.00 0.00 C ATOM 1670 CG LEU A 114 4.542 -2.674 -0.016 1.00 0.00 C ATOM 1671 CD1 LEU A 114 4.069 -2.542 -1.455 1.00 0.00 C ATOM 1672 CD2 LEU A 114 5.873 -1.961 0.177 1.00 0.00 C ATOM 0 H LEU A 114 3.561 -4.321 2.655 1.00 0.00 H new ATOM 0 HA LEU A 114 4.607 -1.552 2.696 1.00 0.00 H new ATOM 0 HB2 LEU A 114 2.546 -2.623 0.752 1.00 0.00 H new ATOM 0 HB3 LEU A 114 3.343 -1.062 0.721 1.00 0.00 H new ATOM 0 HG LEU A 114 4.684 -3.732 0.203 1.00 0.00 H new ATOM 0 HD11 LEU A 114 4.829 -2.943 -2.126 1.00 0.00 H new ATOM 0 HD12 LEU A 114 3.140 -3.098 -1.585 1.00 0.00 H new ATOM 0 HD13 LEU A 114 3.898 -1.491 -1.687 1.00 0.00 H new ATOM 0 HD21 LEU A 114 6.608 -2.369 -0.516 1.00 0.00 H new ATOM 0 HD22 LEU A 114 5.746 -0.895 -0.015 1.00 0.00 H new ATOM 0 HD23 LEU A 114 6.219 -2.107 1.200 1.00 0.00 H new ATOM 1684 N GLU A 115 2.671 -0.827 4.035 1.00 0.00 N ATOM 1685 CA GLU A 115 1.561 -0.390 4.874 1.00 0.00 C ATOM 1686 C GLU A 115 0.766 0.719 4.191 1.00 0.00 C ATOM 1687 O GLU A 115 1.211 1.865 4.122 1.00 0.00 O ATOM 1688 CB GLU A 115 2.078 0.099 6.229 1.00 0.00 C ATOM 1689 CG GLU A 115 1.009 0.147 7.307 1.00 0.00 C ATOM 1690 CD GLU A 115 1.590 0.326 8.697 1.00 0.00 C ATOM 1691 OE1 GLU A 115 2.493 -0.453 9.066 1.00 0.00 O ATOM 1692 OE2 GLU A 115 1.141 1.243 9.415 1.00 0.00 O ATOM 0 H GLU A 115 3.503 -0.240 4.095 1.00 0.00 H new ATOM 0 HA GLU A 115 0.901 -1.243 5.031 1.00 0.00 H new ATOM 0 HB2 GLU A 115 2.885 -0.556 6.558 1.00 0.00 H new ATOM 0 HB3 GLU A 115 2.505 1.095 6.108 1.00 0.00 H new ATOM 0 HG2 GLU A 115 0.322 0.967 7.096 1.00 0.00 H new ATOM 0 HG3 GLU A 115 0.426 -0.773 7.277 1.00 0.00 H new ATOM 1699 N VAL A 116 -0.413 0.370 3.686 1.00 0.00 N ATOM 1700 CA VAL A 116 -1.271 1.334 3.008 1.00 0.00 C ATOM 1701 C VAL A 116 -2.230 2.000 3.988 1.00 0.00 C ATOM 1702 O VAL A 116 -2.844 1.334 4.823 1.00 0.00 O ATOM 1703 CB VAL A 116 -2.084 0.668 1.882 1.00 0.00 C ATOM 1704 CG1 VAL A 116 -2.716 1.722 0.986 1.00 0.00 C ATOM 1705 CG2 VAL A 116 -1.203 -0.273 1.075 1.00 0.00 C ATOM 0 H VAL A 116 -0.796 -0.574 3.734 1.00 0.00 H new ATOM 0 HA VAL A 116 -0.617 2.090 2.574 1.00 0.00 H new ATOM 0 HB VAL A 116 -2.885 0.081 2.332 1.00 0.00 H new ATOM 0 HG11 VAL A 116 -3.286 1.233 0.196 1.00 0.00 H new ATOM 0 HG12 VAL A 116 -3.381 2.351 1.578 1.00 0.00 H new ATOM 0 HG13 VAL A 116 -1.934 2.338 0.541 1.00 0.00 H new ATOM 0 HG21 VAL A 116 -1.793 -0.735 0.284 1.00 0.00 H new ATOM 0 HG22 VAL A 116 -0.380 0.289 0.633 1.00 0.00 H new ATOM 0 HG23 VAL A 116 -0.803 -1.048 1.729 1.00 0.00 H new ATOM 1715 N THR A 117 -2.356 3.319 3.881 1.00 0.00 N ATOM 1716 CA THR A 117 -3.241 4.076 4.758 1.00 0.00 C ATOM 1717 C THR A 117 -3.914 5.219 4.006 1.00 0.00 C ATOM 1718 O THR A 117 -3.286 6.237 3.713 1.00 0.00 O ATOM 1719 CB THR A 117 -2.477 4.651 5.966 1.00 0.00 C ATOM 1720 OG1 THR A 117 -1.867 3.590 6.710 1.00 0.00 O ATOM 1721 CG2 THR A 117 -3.412 5.439 6.871 1.00 0.00 C ATOM 0 H THR A 117 -1.856 3.885 3.196 1.00 0.00 H new ATOM 0 HA THR A 117 -4.002 3.382 5.115 1.00 0.00 H new ATOM 0 HB THR A 117 -1.704 5.324 5.593 1.00 0.00 H new ATOM 0 HG1 THR A 117 -1.382 3.964 7.475 1.00 0.00 H new ATOM 0 HG21 THR A 117 -2.851 5.836 7.717 1.00 0.00 H new ATOM 0 HG22 THR A 117 -3.853 6.263 6.310 1.00 0.00 H new ATOM 0 HG23 THR A 117 -4.203 4.784 7.235 1.00 0.00 H new ATOM 1729 N LEU A 118 -5.194 5.044 3.697 1.00 0.00 N ATOM 1730 CA LEU A 118 -5.953 6.062 2.979 1.00 0.00 C ATOM 1731 C LEU A 118 -6.214 7.274 3.868 1.00 0.00 C ATOM 1732 O LEU A 118 -7.016 7.214 4.800 1.00 0.00 O ATOM 1733 CB LEU A 118 -7.280 5.483 2.485 1.00 0.00 C ATOM 1734 CG LEU A 118 -7.831 6.078 1.188 1.00 0.00 C ATOM 1735 CD1 LEU A 118 -8.228 7.532 1.395 1.00 0.00 C ATOM 1736 CD2 LEU A 118 -6.807 5.957 0.069 1.00 0.00 C ATOM 0 H LEU A 118 -5.728 4.207 3.932 1.00 0.00 H new ATOM 0 HA LEU A 118 -5.362 6.383 2.121 1.00 0.00 H new ATOM 0 HB2 LEU A 118 -7.155 4.409 2.344 1.00 0.00 H new ATOM 0 HB3 LEU A 118 -8.026 5.617 3.268 1.00 0.00 H new ATOM 0 HG LEU A 118 -8.720 5.517 0.902 1.00 0.00 H new ATOM 0 HD11 LEU A 118 -8.618 7.939 0.462 1.00 0.00 H new ATOM 0 HD12 LEU A 118 -8.996 7.593 2.166 1.00 0.00 H new ATOM 0 HD13 LEU A 118 -7.355 8.107 1.705 1.00 0.00 H new ATOM 0 HD21 LEU A 118 -7.216 6.385 -0.846 1.00 0.00 H new ATOM 0 HD22 LEU A 118 -5.900 6.493 0.347 1.00 0.00 H new ATOM 0 HD23 LEU A 118 -6.571 4.906 -0.096 1.00 0.00 H new ATOM 1748 N LYS A 119 -5.533 8.376 3.572 1.00 0.00 N ATOM 1749 CA LYS A 119 -5.692 9.605 4.341 1.00 0.00 C ATOM 1750 C LYS A 119 -6.849 10.439 3.800 1.00 0.00 C ATOM 1751 O LYS A 119 -7.844 10.661 4.490 1.00 0.00 O ATOM 1752 CB LYS A 119 -4.400 10.423 4.307 1.00 0.00 C ATOM 1753 CG LYS A 119 -3.147 9.592 4.525 1.00 0.00 C ATOM 1754 CD LYS A 119 -2.718 9.603 5.983 1.00 0.00 C ATOM 1755 CE LYS A 119 -3.825 9.093 6.894 1.00 0.00 C ATOM 1756 NZ LYS A 119 -4.676 10.202 7.407 1.00 0.00 N ATOM 0 H LYS A 119 -4.865 8.443 2.804 1.00 0.00 H new ATOM 0 HA LYS A 119 -5.915 9.332 5.373 1.00 0.00 H new ATOM 0 HB2 LYS A 119 -4.326 10.930 3.345 1.00 0.00 H new ATOM 0 HB3 LYS A 119 -4.450 11.197 5.073 1.00 0.00 H new ATOM 0 HG2 LYS A 119 -3.330 8.566 4.206 1.00 0.00 H new ATOM 0 HG3 LYS A 119 -2.339 9.980 3.904 1.00 0.00 H new ATOM 0 HD2 LYS A 119 -1.830 8.984 6.107 1.00 0.00 H new ATOM 0 HD3 LYS A 119 -2.443 10.617 6.275 1.00 0.00 H new ATOM 0 HE2 LYS A 119 -4.445 8.382 6.349 1.00 0.00 H new ATOM 0 HE3 LYS A 119 -3.385 8.554 7.733 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 -4.633 10.221 8.446 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 -4.331 11.108 7.030 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 -5.660 10.053 7.104 1.00 0.00 H new ATOM 1770 N THR A 120 -6.713 10.898 2.559 1.00 0.00 N ATOM 1771 CA THR A 120 -7.746 11.706 1.925 1.00 0.00 C ATOM 1772 C THR A 120 -7.812 11.439 0.426 1.00 0.00 C ATOM 1773 O THR A 120 -6.810 11.086 -0.195 1.00 0.00 O ATOM 1774 CB THR A 120 -7.503 13.210 2.157 1.00 0.00 C ATOM 1775 OG1 THR A 120 -6.129 13.527 1.911 1.00 0.00 O ATOM 1776 CG2 THR A 120 -7.874 13.606 3.578 1.00 0.00 C ATOM 0 H THR A 120 -5.896 10.723 1.973 1.00 0.00 H new ATOM 0 HA THR A 120 -8.694 11.423 2.383 1.00 0.00 H new ATOM 0 HB THR A 120 -8.134 13.768 1.466 1.00 0.00 H new ATOM 0 HG1 THR A 120 -5.983 14.485 2.059 1.00 0.00 H new ATOM 0 HG21 THR A 120 -7.694 14.672 3.717 1.00 0.00 H new ATOM 0 HG22 THR A 120 -8.928 13.390 3.752 1.00 0.00 H new ATOM 0 HG23 THR A 120 -7.266 13.040 4.284 1.00 0.00 H new ATOM 1784 N ALA A 121 -8.998 11.609 -0.149 1.00 0.00 N ATOM 1785 CA ALA A 121 -9.193 11.388 -1.577 1.00 0.00 C ATOM 1786 C ALA A 121 -9.934 12.557 -2.217 1.00 0.00 C ATOM 1787 O ALA A 121 -11.056 12.882 -1.828 1.00 0.00 O ATOM 1788 CB ALA A 121 -9.950 10.089 -1.811 1.00 0.00 C ATOM 0 H ALA A 121 -9.838 11.899 0.352 1.00 0.00 H new ATOM 0 HA ALA A 121 -8.212 11.314 -2.046 1.00 0.00 H new ATOM 0 HB1 ALA A 121 -10.089 9.936 -2.881 1.00 0.00 H new ATOM 0 HB2 ALA A 121 -9.381 9.257 -1.397 1.00 0.00 H new ATOM 0 HB3 ALA A 121 -10.923 10.142 -1.323 1.00 0.00 H new ATOM 1794 N VAL A 122 -9.298 13.187 -3.200 1.00 0.00 N ATOM 1795 CA VAL A 122 -9.897 14.321 -3.894 1.00 0.00 C ATOM 1796 C VAL A 122 -9.472 14.356 -5.358 1.00 0.00 C ATOM 1797 O VAL A 122 -8.503 13.704 -5.749 1.00 0.00 O ATOM 1798 CB VAL A 122 -9.513 15.654 -3.227 1.00 0.00 C ATOM 1799 CG1 VAL A 122 -9.986 15.685 -1.782 1.00 0.00 C ATOM 1800 CG2 VAL A 122 -8.011 15.878 -3.309 1.00 0.00 C ATOM 0 H VAL A 122 -8.369 12.931 -3.533 1.00 0.00 H new ATOM 0 HA VAL A 122 -10.978 14.193 -3.835 1.00 0.00 H new ATOM 0 HB VAL A 122 -10.008 16.463 -3.764 1.00 0.00 H new ATOM 0 HG11 VAL A 122 -9.705 16.635 -1.328 1.00 0.00 H new ATOM 0 HG12 VAL A 122 -11.070 15.574 -1.752 1.00 0.00 H new ATOM 0 HG13 VAL A 122 -9.522 14.868 -1.230 1.00 0.00 H new ATOM 0 HG21 VAL A 122 -7.758 16.825 -2.832 1.00 0.00 H new ATOM 0 HG22 VAL A 122 -7.494 15.065 -2.799 1.00 0.00 H new ATOM 0 HG23 VAL A 122 -7.704 15.904 -4.354 1.00 0.00 H new ATOM 1810 N ASP A 123 -10.201 15.121 -6.162 1.00 0.00 N ATOM 1811 CA ASP A 123 -9.899 15.243 -7.583 1.00 0.00 C ATOM 1812 C ASP A 123 -8.694 16.151 -7.806 1.00 0.00 C ATOM 1813 O ASP A 123 -7.822 15.854 -8.624 1.00 0.00 O ATOM 1814 CB ASP A 123 -11.111 15.788 -8.340 1.00 0.00 C ATOM 1815 CG ASP A 123 -11.134 15.349 -9.791 1.00 0.00 C ATOM 1816 OD1 ASP A 123 -10.688 14.218 -10.075 1.00 0.00 O ATOM 1817 OD2 ASP A 123 -11.597 16.137 -10.642 1.00 0.00 O ATOM 0 H ASP A 123 -11.006 15.666 -5.854 1.00 0.00 H new ATOM 0 HA ASP A 123 -9.659 14.250 -7.964 1.00 0.00 H new ATOM 0 HB2 ASP A 123 -12.024 15.453 -7.848 1.00 0.00 H new ATOM 0 HB3 ASP A 123 -11.105 16.877 -8.293 1.00 0.00 H new ATOM 1822 N ARG A 124 -8.652 17.260 -7.075 1.00 0.00 N ATOM 1823 CA ARG A 124 -7.555 18.213 -7.195 1.00 0.00 C ATOM 1824 C ARG A 124 -6.300 17.687 -6.505 1.00 0.00 C ATOM 1825 O ARG A 124 -6.365 16.944 -5.526 1.00 0.00 O ATOM 1826 CB ARG A 124 -7.954 19.561 -6.592 1.00 0.00 C ATOM 1827 CG ARG A 124 -7.799 19.623 -5.081 1.00 0.00 C ATOM 1828 CD ARG A 124 -8.506 20.836 -4.497 1.00 0.00 C ATOM 1829 NE ARG A 124 -9.916 20.571 -4.227 1.00 0.00 N ATOM 1830 CZ ARG A 124 -10.780 21.505 -3.846 1.00 0.00 C ATOM 1831 NH1 ARG A 124 -10.379 22.759 -3.691 1.00 0.00 N ATOM 1832 NH2 ARG A 124 -12.048 21.186 -3.619 1.00 0.00 N ATOM 0 H ARG A 124 -9.365 17.521 -6.394 1.00 0.00 H new ATOM 0 HA ARG A 124 -7.337 18.347 -8.255 1.00 0.00 H new ATOM 0 HB2 ARG A 124 -7.346 20.345 -7.043 1.00 0.00 H new ATOM 0 HB3 ARG A 124 -8.991 19.772 -6.851 1.00 0.00 H new ATOM 0 HG2 ARG A 124 -8.204 18.715 -4.635 1.00 0.00 H new ATOM 0 HG3 ARG A 124 -6.740 19.659 -4.824 1.00 0.00 H new ATOM 0 HD2 ARG A 124 -8.010 21.135 -3.573 1.00 0.00 H new ATOM 0 HD3 ARG A 124 -8.421 21.673 -5.190 1.00 0.00 H new ATOM 0 HE ARG A 124 -10.256 19.616 -4.337 1.00 0.00 H new ATOM 0 HH11 ARG A 124 -9.405 23.008 -3.864 1.00 0.00 H new ATOM 0 HH12 ARG A 124 -11.044 23.475 -3.398 1.00 0.00 H new ATOM 0 HH21 ARG A 124 -12.360 20.222 -3.737 1.00 0.00 H new ATOM 0 HH22 ARG A 124 -12.710 21.905 -3.326 1.00 0.00 H new ATOM 1846 N PRO A 125 -5.129 18.081 -7.026 1.00 0.00 N ATOM 1847 CA PRO A 125 -3.836 17.661 -6.476 1.00 0.00 C ATOM 1848 C PRO A 125 -3.553 18.289 -5.116 1.00 0.00 C ATOM 1849 O PRO A 125 -4.002 19.399 -4.829 1.00 0.00 O ATOM 1850 CB PRO A 125 -2.829 18.160 -7.516 1.00 0.00 C ATOM 1851 CG PRO A 125 -3.510 19.304 -8.184 1.00 0.00 C ATOM 1852 CD PRO A 125 -4.975 18.966 -8.193 1.00 0.00 C ATOM 0 HA PRO A 125 -3.796 16.585 -6.306 1.00 0.00 H new ATOM 0 HB2 PRO A 125 -1.897 18.474 -7.046 1.00 0.00 H new ATOM 0 HB3 PRO A 125 -2.577 17.377 -8.231 1.00 0.00 H new ATOM 0 HG2 PRO A 125 -3.328 20.235 -7.646 1.00 0.00 H new ATOM 0 HG3 PRO A 125 -3.135 19.443 -9.198 1.00 0.00 H new ATOM 0 HD2 PRO A 125 -5.594 19.859 -8.104 1.00 0.00 H new ATOM 0 HD3 PRO A 125 -5.266 18.467 -9.117 1.00 0.00 H new ATOM 1860 N ASP A 126 -2.807 17.573 -4.283 1.00 0.00 N ATOM 1861 CA ASP A 126 -2.463 18.062 -2.952 1.00 0.00 C ATOM 1862 C ASP A 126 -1.090 18.726 -2.956 1.00 0.00 C ATOM 1863 O ASP A 126 -0.921 19.828 -2.432 1.00 0.00 O ATOM 1864 CB ASP A 126 -2.485 16.913 -1.942 1.00 0.00 C ATOM 1865 CG ASP A 126 -2.780 17.387 -0.533 1.00 0.00 C ATOM 1866 OD1 ASP A 126 -1.895 18.023 0.077 1.00 0.00 O ATOM 1867 OD2 ASP A 126 -3.896 17.123 -0.040 1.00 0.00 O ATOM 0 H ASP A 126 -2.429 16.652 -4.505 1.00 0.00 H new ATOM 0 HA ASP A 126 -3.205 18.805 -2.661 1.00 0.00 H new ATOM 0 HB2 ASP A 126 -3.238 16.184 -2.242 1.00 0.00 H new ATOM 0 HB3 ASP A 126 -1.522 16.402 -1.956 1.00 0.00 H new ATOM 1872 N LEU A 127 -0.112 18.050 -3.548 1.00 0.00 N ATOM 1873 CA LEU A 127 1.247 18.574 -3.619 1.00 0.00 C ATOM 1874 C LEU A 127 1.420 19.476 -4.837 1.00 0.00 C ATOM 1875 O LEU A 127 2.209 19.180 -5.733 1.00 0.00 O ATOM 1876 CB LEU A 127 2.256 17.425 -3.674 1.00 0.00 C ATOM 1877 CG LEU A 127 3.635 17.715 -3.083 1.00 0.00 C ATOM 1878 CD1 LEU A 127 3.507 18.500 -1.787 1.00 0.00 C ATOM 1879 CD2 LEU A 127 4.398 16.419 -2.850 1.00 0.00 C ATOM 0 H LEU A 127 -0.235 17.137 -3.986 1.00 0.00 H new ATOM 0 HA LEU A 127 1.429 19.166 -2.722 1.00 0.00 H new ATOM 0 HB2 LEU A 127 1.831 16.569 -3.150 1.00 0.00 H new ATOM 0 HB3 LEU A 127 2.384 17.130 -4.715 1.00 0.00 H new ATOM 0 HG LEU A 127 4.194 18.320 -3.796 1.00 0.00 H new ATOM 0 HD11 LEU A 127 4.499 18.697 -1.381 1.00 0.00 H new ATOM 0 HD12 LEU A 127 3.001 19.445 -1.983 1.00 0.00 H new ATOM 0 HD13 LEU A 127 2.929 17.921 -1.067 1.00 0.00 H new ATOM 0 HD21 LEU A 127 5.378 16.644 -2.429 1.00 0.00 H new ATOM 0 HD22 LEU A 127 3.841 15.789 -2.157 1.00 0.00 H new ATOM 0 HD23 LEU A 127 4.522 15.895 -3.797 1.00 0.00 H new ATOM 1891 N GLU A 128 0.677 20.579 -4.861 1.00 0.00 N ATOM 1892 CA GLU A 128 0.750 21.524 -5.968 1.00 0.00 C ATOM 1893 C GLU A 128 0.441 22.942 -5.495 1.00 0.00 C ATOM 1894 O GLU A 128 -0.026 23.145 -4.374 1.00 0.00 O ATOM 1895 CB GLU A 128 -0.225 21.122 -7.077 1.00 0.00 C ATOM 1896 CG GLU A 128 0.380 20.184 -8.109 1.00 0.00 C ATOM 1897 CD GLU A 128 -0.638 19.698 -9.122 1.00 0.00 C ATOM 1898 OE1 GLU A 128 -1.211 20.543 -9.841 1.00 0.00 O ATOM 1899 OE2 GLU A 128 -0.860 18.471 -9.197 1.00 0.00 O ATOM 0 H GLU A 128 0.019 20.839 -4.127 1.00 0.00 H new ATOM 0 HA GLU A 128 1.766 21.504 -6.362 1.00 0.00 H new ATOM 0 HB2 GLU A 128 -1.095 20.642 -6.628 1.00 0.00 H new ATOM 0 HB3 GLU A 128 -0.581 22.021 -7.580 1.00 0.00 H new ATOM 0 HG2 GLU A 128 1.189 20.696 -8.630 1.00 0.00 H new ATOM 0 HG3 GLU A 128 0.820 19.326 -7.601 1.00 0.00 H new ATOM 1906 N MET A 129 0.707 23.918 -6.356 1.00 0.00 N ATOM 1907 CA MET A 129 0.457 25.316 -6.027 1.00 0.00 C ATOM 1908 C MET A 129 -0.343 26.001 -7.131 1.00 0.00 C ATOM 1909 O MET A 129 -1.386 26.601 -6.873 1.00 0.00 O ATOM 1910 CB MET A 129 1.779 26.054 -5.806 1.00 0.00 C ATOM 1911 CG MET A 129 2.701 26.025 -7.014 1.00 0.00 C ATOM 1912 SD MET A 129 4.391 26.507 -6.611 1.00 0.00 S ATOM 1913 CE MET A 129 5.131 24.909 -6.286 1.00 0.00 C ATOM 0 H MET A 129 1.096 23.767 -7.287 1.00 0.00 H new ATOM 0 HA MET A 129 -0.127 25.348 -5.107 1.00 0.00 H new ATOM 0 HB2 MET A 129 1.567 27.091 -5.546 1.00 0.00 H new ATOM 0 HB3 MET A 129 2.295 25.610 -4.955 1.00 0.00 H new ATOM 0 HG2 MET A 129 2.705 25.021 -7.439 1.00 0.00 H new ATOM 0 HG3 MET A 129 2.310 26.694 -7.781 1.00 0.00 H new ATOM 0 HE1 MET A 129 6.180 25.041 -6.022 1.00 0.00 H new ATOM 0 HE2 MET A 129 4.607 24.426 -5.461 1.00 0.00 H new ATOM 0 HE3 MET A 129 5.057 24.286 -7.177 1.00 0.00 H new ATOM 1923 N SER A 130 0.154 25.907 -8.360 1.00 0.00 N ATOM 1924 CA SER A 130 -0.512 26.521 -9.502 1.00 0.00 C ATOM 1925 C SER A 130 -1.634 25.627 -10.022 1.00 0.00 C ATOM 1926 O SER A 130 -2.806 26.003 -9.993 1.00 0.00 O ATOM 1927 CB SER A 130 0.495 26.796 -10.621 1.00 0.00 C ATOM 1928 OG SER A 130 1.092 28.072 -10.467 1.00 0.00 O ATOM 0 H SER A 130 1.015 25.412 -8.590 1.00 0.00 H new ATOM 0 HA SER A 130 -0.945 27.465 -9.173 1.00 0.00 H new ATOM 0 HB2 SER A 130 1.267 26.027 -10.617 1.00 0.00 H new ATOM 0 HB3 SER A 130 -0.006 26.740 -11.587 1.00 0.00 H new ATOM 0 HG SER A 130 1.733 28.223 -11.193 1.00 0.00 H new ATOM 1934 N GLY A 131 -1.266 24.441 -10.496 1.00 0.00 N ATOM 1935 CA GLY A 131 -2.252 23.511 -11.015 1.00 0.00 C ATOM 1936 C GLY A 131 -1.849 22.928 -12.355 1.00 0.00 C ATOM 1937 O GLY A 131 -0.666 22.799 -12.670 1.00 0.00 O ATOM 0 H GLY A 131 -0.303 24.107 -10.530 1.00 0.00 H new ATOM 0 HA2 GLY A 131 -2.397 22.702 -10.299 1.00 0.00 H new ATOM 0 HA3 GLY A 131 -3.210 24.021 -11.117 1.00 0.00 H new ATOM 1941 N PRO A 132 -2.850 22.560 -13.170 1.00 0.00 N ATOM 1942 CA PRO A 132 -2.618 21.980 -14.495 1.00 0.00 C ATOM 1943 C PRO A 132 -2.055 22.996 -15.483 1.00 0.00 C ATOM 1944 O PRO A 132 -2.050 24.198 -15.217 1.00 0.00 O ATOM 1945 CB PRO A 132 -4.013 21.525 -14.932 1.00 0.00 C ATOM 1946 CG PRO A 132 -4.951 22.402 -14.177 1.00 0.00 C ATOM 1947 CD PRO A 132 -4.284 22.684 -12.859 1.00 0.00 C ATOM 0 HA PRO A 132 -1.882 21.176 -14.465 1.00 0.00 H new ATOM 0 HB2 PRO A 132 -4.147 21.636 -16.008 1.00 0.00 H new ATOM 0 HB3 PRO A 132 -4.178 20.474 -14.697 1.00 0.00 H new ATOM 0 HG2 PRO A 132 -5.145 23.326 -14.722 1.00 0.00 H new ATOM 0 HG3 PRO A 132 -5.913 21.910 -14.030 1.00 0.00 H new ATOM 0 HD2 PRO A 132 -4.530 23.679 -12.489 1.00 0.00 H new ATOM 0 HD3 PRO A 132 -4.592 21.973 -12.092 1.00 0.00 H new ATOM 1955 N SER A 133 -1.583 22.506 -16.625 1.00 0.00 N ATOM 1956 CA SER A 133 -1.015 23.372 -17.652 1.00 0.00 C ATOM 1957 C SER A 133 -1.876 23.358 -18.911 1.00 0.00 C ATOM 1958 O SER A 133 -1.671 22.541 -19.808 1.00 0.00 O ATOM 1959 CB SER A 133 0.410 22.930 -17.990 1.00 0.00 C ATOM 1960 OG SER A 133 1.201 24.032 -18.400 1.00 0.00 O ATOM 0 H SER A 133 -1.583 21.514 -16.862 1.00 0.00 H new ATOM 0 HA SER A 133 -0.989 24.389 -17.262 1.00 0.00 H new ATOM 0 HB2 SER A 133 0.864 22.456 -17.119 1.00 0.00 H new ATOM 0 HB3 SER A 133 0.384 22.182 -18.782 1.00 0.00 H new ATOM 0 HG SER A 133 2.108 23.724 -18.609 1.00 0.00 H new ATOM 1966 N SER A 134 -2.842 24.270 -18.970 1.00 0.00 N ATOM 1967 CA SER A 134 -3.738 24.362 -20.117 1.00 0.00 C ATOM 1968 C SER A 134 -4.131 22.973 -20.612 1.00 0.00 C ATOM 1969 O SER A 134 -4.155 22.714 -21.814 1.00 0.00 O ATOM 1970 CB SER A 134 -3.074 25.149 -21.248 1.00 0.00 C ATOM 1971 OG SER A 134 -4.020 25.518 -22.236 1.00 0.00 O ATOM 0 H SER A 134 -3.024 24.955 -18.237 1.00 0.00 H new ATOM 0 HA SER A 134 -4.640 24.885 -19.801 1.00 0.00 H new ATOM 0 HB2 SER A 134 -2.599 26.043 -20.843 1.00 0.00 H new ATOM 0 HB3 SER A 134 -2.287 24.547 -21.701 1.00 0.00 H new ATOM 0 HG SER A 134 -4.465 24.715 -22.579 1.00 0.00 H new ATOM 1977 N GLY A 135 -4.438 22.082 -19.673 1.00 0.00 N ATOM 1978 CA GLY A 135 -4.825 20.730 -20.032 1.00 0.00 C ATOM 1979 C GLY A 135 -6.115 20.689 -20.829 1.00 0.00 C ATOM 1980 O GLY A 135 -6.872 21.659 -20.846 1.00 0.00 O ATOM 0 H GLY A 135 -4.425 22.273 -18.671 1.00 0.00 H new ATOM 0 HA2 GLY A 135 -4.027 20.269 -20.614 1.00 0.00 H new ATOM 0 HA3 GLY A 135 -4.942 20.136 -19.126 1.00 0.00 H new TER 1984 GLY A 135