USER MOD reduce.3.24.130724 H: found=0, std=0, add=1006, rem=0, adj=40 USER MOD reduce.3.24.130724 removed 1000 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 54 ASN : amide:sc= 0.39 K(o=1,f=-7.8!) USER MOD Set 1.2: A 56 THR OG1 : rot -13:sc= 0.614 USER MOD Set 2.1: A 49 GLN : amide:sc= -1.27 K(o=-0.38,f=-3.7!) USER MOD Set 2.2: A 95 THR OG1 : rot 54:sc= 0.889 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 37:sc= 0.526 USER MOD Single : A 3 SER OG : rot -73:sc= 0.232 USER MOD Single : A 5 SER OG : rot -29:sc= 0.35 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 10 ASN : amide:sc= -0.0821 X(o=-0.082,f=-0.5) USER MOD Single : A 11 GLN : amide:sc= -0.024 X(o=-0.024,f=-0.35) USER MOD Single : A 14 LYS NZ :NH3+ -154:sc= -0.0862 (180deg=-0.437) USER MOD Single : A 16 HIS : no HE2:sc= -8.76! C(o=-8.8!,f=-5.7!) USER MOD Single : A 17 TYR OH : rot 180:sc= -2.25! USER MOD Single : A 18 CYS SG : rot -67:sc= 0.908 USER MOD Single : A 21 TYR OH : rot -54:sc= -2.44! USER MOD Single : A 23 CYS SG : rot 180:sc= -1.06 USER MOD Single : A 24 GLN : amide:sc= -0.0697 X(o=-0.07,f=-0.38) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 THR OG1 : rot 180:sc= -0.185 USER MOD Single : A 37 THR OG1 : rot -160:sc= -0.159 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 39 ASN : amide:sc= -0.0294 X(o=-0.029,f=0) USER MOD Single : A 40 HIS : no HD1:sc=-0.00698 X(o=-0.007,f=-0.012) USER MOD Single : A 44 CYS SG : rot -80:sc= 0.757 USER MOD Single : A 46 CYS SG : rot 17:sc= -0.0225 USER MOD Single : A 47 TYR OH : rot 0:sc= -1.06 USER MOD Single : A 51 SER OG : rot 16:sc= 0.907 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=-0.021) USER MOD Single : A 63 THR OG1 : rot 124:sc= 0.191 USER MOD Single : A 66 LYS NZ :NH3+ -165:sc= -0.0128 (180deg=-0.328) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 GLN : amide:sc= -0.355 K(o=-0.35,f=-0.96) USER MOD Single : A 71 HIS : no HE2:sc= -2.97! C(o=-3!,f=-5.9!) USER MOD Single : A 72 THR OG1 : rot 180:sc= -1.19 USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 THR OG1 : rot 69:sc= -0.978! USER MOD Single : A 91 THR OG1 : rot 180:sc= -0.44 USER MOD Single : A 93 THR OG1 : rot 180:sc= 0 USER MOD Single : A 98 THR OG1 : rot 41:sc= 0.0397 USER MOD Single : A 99 CYS SG : rot 180:sc= 0 USER MOD Single : A 103 SER OG : rot 121:sc= 0.788 USER MOD Single : A 105 HIS : no HD1:sc= -0.294 X(o=-0.29,f=-0.054) USER MOD Single : A 106 SER OG : rot 180:sc=-0.00765 USER MOD Single : A 118 THR OG1 : rot 180:sc= 0 USER MOD Single : A 119 SER OG : rot 180:sc= 0 USER MOD Single : A 126 GLN : amide:sc= -5.03! C(o=-5!,f=-7.1!) USER MOD Single : A 131 LYS NZ :NH3+ -144:sc= 0 (180deg=-0.48) USER MOD Single : A 132 THR OG1 : rot 52:sc= 0.815 USER MOD Single : A 133 SER OG : rot 180:sc= 0 USER MOD Single : A 136 SER OG : rot 49:sc= 1.16 USER MOD Single : A 137 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 18.946 6.738 23.099 1.00 0.00 N ATOM 2 CA GLY A 1 20.132 5.919 23.282 1.00 0.00 C ATOM 3 C GLY A 1 21.328 6.511 22.533 1.00 0.00 C ATOM 4 O GLY A 1 21.200 6.929 21.384 1.00 0.00 O ATOM 0 H1 GLY A 1 18.149 6.315 23.617 1.00 0.00 H new ATOM 0 H2 GLY A 1 19.126 7.696 23.462 1.00 0.00 H new ATOM 0 H3 GLY A 1 18.713 6.790 22.087 1.00 0.00 H new ATOM 0 HA2 GLY A 1 20.365 5.842 24.344 1.00 0.00 H new ATOM 0 HA3 GLY A 1 19.939 4.908 22.924 1.00 0.00 H new ATOM 8 N SER A 2 22.463 6.528 23.216 1.00 0.00 N ATOM 9 CA SER A 2 23.681 7.062 22.630 1.00 0.00 C ATOM 10 C SER A 2 23.880 6.490 21.225 1.00 0.00 C ATOM 11 O SER A 2 24.101 5.291 21.064 1.00 0.00 O ATOM 12 CB SER A 2 24.896 6.751 23.506 1.00 0.00 C ATOM 13 OG SER A 2 25.099 5.349 23.661 1.00 0.00 O ATOM 0 H SER A 2 22.565 6.181 24.170 1.00 0.00 H new ATOM 0 HA SER A 2 23.582 8.146 22.564 1.00 0.00 H new ATOM 0 HB2 SER A 2 25.786 7.199 23.064 1.00 0.00 H new ATOM 0 HB3 SER A 2 24.762 7.208 24.486 1.00 0.00 H new ATOM 0 HG SER A 2 24.873 4.891 22.825 1.00 0.00 H new ATOM 19 N SER A 3 23.794 7.375 20.242 1.00 0.00 N ATOM 20 CA SER A 3 23.962 6.974 18.856 1.00 0.00 C ATOM 21 C SER A 3 24.038 8.210 17.959 1.00 0.00 C ATOM 22 O SER A 3 23.486 9.258 18.292 1.00 0.00 O ATOM 23 CB SER A 3 22.821 6.060 18.405 1.00 0.00 C ATOM 24 OG SER A 3 21.577 6.752 18.340 1.00 0.00 O ATOM 0 H SER A 3 23.610 8.369 20.379 1.00 0.00 H new ATOM 0 HA SER A 3 24.894 6.415 18.772 1.00 0.00 H new ATOM 0 HB2 SER A 3 23.056 5.643 17.426 1.00 0.00 H new ATOM 0 HB3 SER A 3 22.734 5.221 19.096 1.00 0.00 H new ATOM 0 HG SER A 3 21.250 6.922 19.248 1.00 0.00 H new ATOM 30 N GLY A 4 24.726 8.047 16.838 1.00 0.00 N ATOM 31 CA GLY A 4 24.881 9.138 15.890 1.00 0.00 C ATOM 32 C GLY A 4 25.044 8.606 14.465 1.00 0.00 C ATOM 33 O GLY A 4 25.539 7.498 14.265 1.00 0.00 O ATOM 0 H GLY A 4 25.182 7.176 16.565 1.00 0.00 H new ATOM 0 HA2 GLY A 4 24.012 9.794 15.940 1.00 0.00 H new ATOM 0 HA3 GLY A 4 25.750 9.738 16.160 1.00 0.00 H new ATOM 37 N SER A 5 24.618 9.421 13.511 1.00 0.00 N ATOM 38 CA SER A 5 24.710 9.047 12.110 1.00 0.00 C ATOM 39 C SER A 5 24.665 10.297 11.230 1.00 0.00 C ATOM 40 O SER A 5 24.347 11.385 11.708 1.00 0.00 O ATOM 41 CB SER A 5 23.586 8.084 11.722 1.00 0.00 C ATOM 42 OG SER A 5 23.449 7.018 12.659 1.00 0.00 O ATOM 0 H SER A 5 24.208 10.339 13.681 1.00 0.00 H new ATOM 0 HA SER A 5 25.660 8.536 11.955 1.00 0.00 H new ATOM 0 HB2 SER A 5 22.646 8.632 11.656 1.00 0.00 H new ATOM 0 HB3 SER A 5 23.786 7.673 10.732 1.00 0.00 H new ATOM 0 HG SER A 5 24.319 6.827 13.067 1.00 0.00 H new ATOM 48 N SER A 6 24.987 10.100 9.960 1.00 0.00 N ATOM 49 CA SER A 6 24.987 11.199 9.009 1.00 0.00 C ATOM 50 C SER A 6 24.319 10.761 7.704 1.00 0.00 C ATOM 51 O SER A 6 24.067 9.575 7.499 1.00 0.00 O ATOM 52 CB SER A 6 26.410 11.692 8.737 1.00 0.00 C ATOM 53 OG SER A 6 26.481 13.114 8.681 1.00 0.00 O ATOM 0 H SER A 6 25.250 9.196 9.567 1.00 0.00 H new ATOM 0 HA SER A 6 24.421 12.025 9.440 1.00 0.00 H new ATOM 0 HB2 SER A 6 27.076 11.326 9.519 1.00 0.00 H new ATOM 0 HB3 SER A 6 26.765 11.274 7.795 1.00 0.00 H new ATOM 0 HG SER A 6 27.406 13.389 8.507 1.00 0.00 H new ATOM 59 N GLY A 7 24.050 11.743 6.856 1.00 0.00 N ATOM 60 CA GLY A 7 23.415 11.475 5.577 1.00 0.00 C ATOM 61 C GLY A 7 23.804 12.530 4.540 1.00 0.00 C ATOM 62 O GLY A 7 24.792 13.241 4.713 1.00 0.00 O ATOM 0 H GLY A 7 24.260 12.726 7.030 1.00 0.00 H new ATOM 0 HA2 GLY A 7 23.707 10.486 5.222 1.00 0.00 H new ATOM 0 HA3 GLY A 7 22.332 11.463 5.700 1.00 0.00 H new ATOM 66 N SER A 8 23.007 12.597 3.484 1.00 0.00 N ATOM 67 CA SER A 8 23.255 13.553 2.418 1.00 0.00 C ATOM 68 C SER A 8 22.021 14.432 2.205 1.00 0.00 C ATOM 69 O SER A 8 20.958 14.161 2.762 1.00 0.00 O ATOM 70 CB SER A 8 23.632 12.842 1.117 1.00 0.00 C ATOM 71 OG SER A 8 24.998 13.051 0.770 1.00 0.00 O ATOM 0 H SER A 8 22.189 12.005 3.344 1.00 0.00 H new ATOM 0 HA SER A 8 24.095 14.183 2.712 1.00 0.00 H new ATOM 0 HB2 SER A 8 23.444 11.773 1.220 1.00 0.00 H new ATOM 0 HB3 SER A 8 22.994 13.201 0.310 1.00 0.00 H new ATOM 0 HG SER A 8 25.199 12.580 -0.065 1.00 0.00 H new ATOM 77 N TRP A 9 22.203 15.467 1.398 1.00 0.00 N ATOM 78 CA TRP A 9 21.118 16.387 1.105 1.00 0.00 C ATOM 79 C TRP A 9 20.876 16.368 -0.406 1.00 0.00 C ATOM 80 O TRP A 9 21.821 16.265 -1.187 1.00 0.00 O ATOM 81 CB TRP A 9 21.425 17.786 1.643 1.00 0.00 C ATOM 82 CG TRP A 9 21.720 17.825 3.144 1.00 0.00 C ATOM 83 CD1 TRP A 9 21.126 17.125 4.120 1.00 0.00 C ATOM 84 CD2 TRP A 9 22.714 18.637 3.804 1.00 0.00 C ATOM 85 NE1 TRP A 9 21.661 17.426 5.356 1.00 0.00 N ATOM 86 CE2 TRP A 9 22.657 18.375 5.158 1.00 0.00 C ATOM 87 CE3 TRP A 9 23.629 19.563 3.275 1.00 0.00 C ATOM 88 CZ2 TRP A 9 23.491 18.997 6.095 1.00 0.00 C ATOM 89 CZ3 TRP A 9 24.456 20.177 4.224 1.00 0.00 C ATOM 90 CH2 TRP A 9 24.412 19.923 5.590 1.00 0.00 C ATOM 0 H TRP A 9 23.086 15.689 0.938 1.00 0.00 H new ATOM 0 HA TRP A 9 20.203 16.076 1.608 1.00 0.00 H new ATOM 0 HB2 TRP A 9 22.281 18.191 1.104 1.00 0.00 H new ATOM 0 HB3 TRP A 9 20.578 18.439 1.433 1.00 0.00 H new ATOM 0 HD1 TRP A 9 20.329 16.414 3.960 1.00 0.00 H new ATOM 0 HE1 TRP A 9 21.378 17.026 6.250 1.00 0.00 H new ATOM 0 HE3 TRP A 9 23.690 19.784 2.220 1.00 0.00 H new ATOM 0 HZ2 TRP A 9 23.427 18.775 7.150 1.00 0.00 H new ATOM 0 HZ3 TRP A 9 25.178 20.898 3.870 1.00 0.00 H new ATOM 0 HH2 TRP A 9 25.086 20.438 6.259 1.00 0.00 H new ATOM 101 N ASN A 10 19.607 16.467 -0.771 1.00 0.00 N ATOM 102 CA ASN A 10 19.229 16.462 -2.174 1.00 0.00 C ATOM 103 C ASN A 10 17.709 16.590 -2.289 1.00 0.00 C ATOM 104 O ASN A 10 17.010 16.656 -1.280 1.00 0.00 O ATOM 105 CB ASN A 10 19.647 15.156 -2.852 1.00 0.00 C ATOM 106 CG ASN A 10 20.696 15.412 -3.936 1.00 0.00 C ATOM 107 OD1 ASN A 10 20.644 16.385 -4.670 1.00 0.00 O ATOM 108 ND2 ASN A 10 21.649 14.486 -3.995 1.00 0.00 N ATOM 0 H ASN A 10 18.827 16.551 -0.119 1.00 0.00 H new ATOM 0 HA ASN A 10 19.731 17.298 -2.662 1.00 0.00 H new ATOM 0 HB2 ASN A 10 20.048 14.468 -2.108 1.00 0.00 H new ATOM 0 HB3 ASN A 10 18.774 14.675 -3.292 1.00 0.00 H new ATOM 0 HD21 ASN A 10 22.396 14.566 -4.685 1.00 0.00 H new ATOM 0 HD22 ASN A 10 21.633 13.696 -3.350 1.00 0.00 H new ATOM 115 N GLN A 11 17.242 16.620 -3.529 1.00 0.00 N ATOM 116 CA GLN A 11 15.818 16.739 -3.789 1.00 0.00 C ATOM 117 C GLN A 11 15.038 15.726 -2.948 1.00 0.00 C ATOM 118 O GLN A 11 15.620 14.792 -2.397 1.00 0.00 O ATOM 119 CB GLN A 11 15.516 16.561 -5.279 1.00 0.00 C ATOM 120 CG GLN A 11 14.803 17.791 -5.844 1.00 0.00 C ATOM 121 CD GLN A 11 15.325 18.134 -7.241 1.00 0.00 C ATOM 122 OE1 GLN A 11 15.719 17.275 -8.013 1.00 0.00 O ATOM 123 NE2 GLN A 11 15.307 19.434 -7.521 1.00 0.00 N ATOM 0 H GLN A 11 17.825 16.564 -4.364 1.00 0.00 H new ATOM 0 HA GLN A 11 15.499 17.742 -3.504 1.00 0.00 H new ATOM 0 HB2 GLN A 11 16.444 16.392 -5.824 1.00 0.00 H new ATOM 0 HB3 GLN A 11 14.895 15.677 -5.425 1.00 0.00 H new ATOM 0 HG2 GLN A 11 13.730 17.605 -5.888 1.00 0.00 H new ATOM 0 HG3 GLN A 11 14.952 18.640 -5.177 1.00 0.00 H new ATOM 0 HE21 GLN A 11 14.964 20.100 -6.829 1.00 0.00 H new ATOM 0 HE22 GLN A 11 15.636 19.765 -8.428 1.00 0.00 H new ATOM 132 N ALA A 12 13.734 15.946 -2.873 1.00 0.00 N ATOM 133 CA ALA A 12 12.869 15.064 -2.108 1.00 0.00 C ATOM 134 C ALA A 12 12.359 13.943 -3.015 1.00 0.00 C ATOM 135 O ALA A 12 12.291 14.107 -4.232 1.00 0.00 O ATOM 136 CB ALA A 12 11.729 15.877 -1.490 1.00 0.00 C ATOM 0 H ALA A 12 13.255 16.722 -3.329 1.00 0.00 H new ATOM 0 HA ALA A 12 13.421 14.601 -1.290 1.00 0.00 H new ATOM 0 HB1 ALA A 12 11.080 15.216 -0.916 1.00 0.00 H new ATOM 0 HB2 ALA A 12 12.142 16.641 -0.831 1.00 0.00 H new ATOM 0 HB3 ALA A 12 11.152 16.354 -2.282 1.00 0.00 H new ATOM 142 N PRO A 13 12.006 12.798 -2.371 1.00 0.00 N ATOM 143 CA PRO A 13 11.505 11.650 -3.107 1.00 0.00 C ATOM 144 C PRO A 13 10.063 11.878 -3.565 1.00 0.00 C ATOM 145 O PRO A 13 9.259 12.454 -2.833 1.00 0.00 O ATOM 146 CB PRO A 13 11.645 10.477 -2.149 1.00 0.00 C ATOM 147 CG PRO A 13 11.782 11.086 -0.763 1.00 0.00 C ATOM 148 CD PRO A 13 12.073 12.568 -0.931 1.00 0.00 C ATOM 0 HA PRO A 13 12.060 11.465 -4.027 1.00 0.00 H new ATOM 0 HB2 PRO A 13 10.776 9.822 -2.204 1.00 0.00 H new ATOM 0 HB3 PRO A 13 12.517 9.871 -2.398 1.00 0.00 H new ATOM 0 HG2 PRO A 13 10.867 10.939 -0.190 1.00 0.00 H new ATOM 0 HG3 PRO A 13 12.586 10.600 -0.210 1.00 0.00 H new ATOM 0 HD2 PRO A 13 11.343 13.178 -0.398 1.00 0.00 H new ATOM 0 HD3 PRO A 13 13.055 12.826 -0.534 1.00 0.00 H new ATOM 156 N LYS A 14 9.779 11.415 -4.773 1.00 0.00 N ATOM 157 CA LYS A 14 8.448 11.562 -5.337 1.00 0.00 C ATOM 158 C LYS A 14 7.769 10.192 -5.394 1.00 0.00 C ATOM 159 O LYS A 14 8.434 9.172 -5.568 1.00 0.00 O ATOM 160 CB LYS A 14 8.515 12.271 -6.691 1.00 0.00 C ATOM 161 CG LYS A 14 8.100 13.738 -6.563 1.00 0.00 C ATOM 162 CD LYS A 14 7.462 14.243 -7.858 1.00 0.00 C ATOM 163 CE LYS A 14 8.486 14.981 -8.723 1.00 0.00 C ATOM 164 NZ LYS A 14 8.888 16.251 -8.079 1.00 0.00 N ATOM 0 H LYS A 14 10.448 10.938 -5.377 1.00 0.00 H new ATOM 0 HA LYS A 14 7.833 12.198 -4.700 1.00 0.00 H new ATOM 0 HB2 LYS A 14 9.528 12.209 -7.088 1.00 0.00 H new ATOM 0 HB3 LYS A 14 7.862 11.766 -7.403 1.00 0.00 H new ATOM 0 HG2 LYS A 14 7.395 13.850 -5.739 1.00 0.00 H new ATOM 0 HG3 LYS A 14 8.972 14.346 -6.322 1.00 0.00 H new ATOM 0 HD2 LYS A 14 7.048 13.403 -8.415 1.00 0.00 H new ATOM 0 HD3 LYS A 14 6.632 14.909 -7.623 1.00 0.00 H new ATOM 0 HE2 LYS A 14 9.362 14.351 -8.877 1.00 0.00 H new ATOM 0 HE3 LYS A 14 8.062 15.183 -9.707 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 9.203 16.924 -8.806 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 8.077 16.651 -7.565 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 9.666 16.071 -7.413 1.00 0.00 H new ATOM 178 N LEU A 15 6.453 10.213 -5.244 1.00 0.00 N ATOM 179 CA LEU A 15 5.676 8.985 -5.276 1.00 0.00 C ATOM 180 C LEU A 15 4.287 9.280 -5.846 1.00 0.00 C ATOM 181 O LEU A 15 3.652 10.262 -5.465 1.00 0.00 O ATOM 182 CB LEU A 15 5.647 8.333 -3.892 1.00 0.00 C ATOM 183 CG LEU A 15 4.701 7.141 -3.732 1.00 0.00 C ATOM 184 CD1 LEU A 15 3.244 7.569 -3.920 1.00 0.00 C ATOM 185 CD2 LEU A 15 5.091 6.001 -4.675 1.00 0.00 C ATOM 0 H LEU A 15 5.905 11.061 -5.100 1.00 0.00 H new ATOM 0 HA LEU A 15 6.144 8.255 -5.937 1.00 0.00 H new ATOM 0 HB2 LEU A 15 6.657 8.006 -3.645 1.00 0.00 H new ATOM 0 HB3 LEU A 15 5.370 9.092 -3.160 1.00 0.00 H new ATOM 0 HG LEU A 15 4.796 6.763 -2.714 1.00 0.00 H new ATOM 0 HD11 LEU A 15 2.592 6.703 -3.801 1.00 0.00 H new ATOM 0 HD12 LEU A 15 2.987 8.322 -3.175 1.00 0.00 H new ATOM 0 HD13 LEU A 15 3.114 7.987 -4.918 1.00 0.00 H new ATOM 0 HD21 LEU A 15 4.403 5.166 -4.541 1.00 0.00 H new ATOM 0 HD22 LEU A 15 5.042 6.349 -5.707 1.00 0.00 H new ATOM 0 HD23 LEU A 15 6.106 5.674 -4.450 1.00 0.00 H new ATOM 197 N HIS A 16 3.857 8.412 -6.750 1.00 0.00 N ATOM 198 CA HIS A 16 2.555 8.567 -7.376 1.00 0.00 C ATOM 199 C HIS A 16 1.614 7.466 -6.882 1.00 0.00 C ATOM 200 O HIS A 16 2.011 6.307 -6.773 1.00 0.00 O ATOM 201 CB HIS A 16 2.685 8.595 -8.900 1.00 0.00 C ATOM 202 CG HIS A 16 1.398 8.918 -9.620 1.00 0.00 C ATOM 203 ND1 HIS A 16 0.828 8.070 -10.554 1.00 0.00 N ATOM 204 CD2 HIS A 16 0.576 10.003 -9.533 1.00 0.00 C ATOM 205 CE1 HIS A 16 -0.286 8.630 -11.003 1.00 0.00 C ATOM 206 NE2 HIS A 16 -0.440 9.828 -10.370 1.00 0.00 N ATOM 0 H HIS A 16 4.387 7.599 -7.064 1.00 0.00 H new ATOM 0 HA HIS A 16 2.121 9.525 -7.088 1.00 0.00 H new ATOM 0 HB2 HIS A 16 3.439 9.332 -9.177 1.00 0.00 H new ATOM 0 HB3 HIS A 16 3.047 7.625 -9.241 1.00 0.00 H new ATOM 0 HD1 HIS A 16 1.202 7.167 -10.847 1.00 0.00 H new ATOM 0 HD2 HIS A 16 0.726 10.859 -8.892 1.00 0.00 H new ATOM 0 HE1 HIS A 16 -0.954 8.211 -11.741 1.00 0.00 H new ATOM 214 N TYR A 17 0.384 7.868 -6.595 1.00 0.00 N ATOM 215 CA TYR A 17 -0.617 6.931 -6.115 1.00 0.00 C ATOM 216 C TYR A 17 -2.017 7.337 -6.582 1.00 0.00 C ATOM 217 O TYR A 17 -2.290 8.520 -6.781 1.00 0.00 O ATOM 218 CB TYR A 17 -0.561 7.000 -4.588 1.00 0.00 C ATOM 219 CG TYR A 17 -0.738 8.411 -4.022 1.00 0.00 C ATOM 220 CD1 TYR A 17 -1.947 9.062 -4.157 1.00 0.00 C ATOM 221 CD2 TYR A 17 0.312 9.032 -3.376 1.00 0.00 C ATOM 222 CE1 TYR A 17 -2.113 10.390 -3.625 1.00 0.00 C ATOM 223 CE2 TYR A 17 0.146 10.359 -2.844 1.00 0.00 C ATOM 224 CZ TYR A 17 -1.058 10.973 -2.994 1.00 0.00 C ATOM 225 OH TYR A 17 -1.215 12.227 -2.491 1.00 0.00 O ATOM 0 H TYR A 17 0.058 8.830 -6.686 1.00 0.00 H new ATOM 0 HA TYR A 17 -0.419 5.929 -6.496 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -1.337 6.355 -4.177 1.00 0.00 H new ATOM 0 HB3 TYR A 17 0.396 6.602 -4.251 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -2.769 8.576 -4.662 1.00 0.00 H new ATOM 0 HD2 TYR A 17 1.258 8.522 -3.270 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -3.054 10.911 -3.725 1.00 0.00 H new ATOM 0 HE2 TYR A 17 0.960 10.856 -2.337 1.00 0.00 H new ATOM 0 HH TYR A 17 -0.380 12.516 -2.067 1.00 0.00 H new ATOM 235 N CYS A 18 -2.866 6.333 -6.742 1.00 0.00 N ATOM 236 CA CYS A 18 -4.231 6.571 -7.181 1.00 0.00 C ATOM 237 C CYS A 18 -5.180 5.931 -6.167 1.00 0.00 C ATOM 238 O CYS A 18 -5.391 4.719 -6.187 1.00 0.00 O ATOM 239 CB CYS A 18 -4.469 6.043 -8.598 1.00 0.00 C ATOM 240 SG CYS A 18 -6.213 6.314 -9.081 1.00 0.00 S ATOM 0 H CYS A 18 -2.636 5.353 -6.576 1.00 0.00 H new ATOM 0 HA CYS A 18 -4.420 7.644 -7.227 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -3.806 6.549 -9.300 1.00 0.00 H new ATOM 0 HB3 CYS A 18 -4.231 4.980 -8.644 1.00 0.00 H new ATOM 0 HG CYS A 18 -6.986 5.563 -8.354 1.00 0.00 H new ATOM 246 N LEU A 19 -5.728 6.774 -5.303 1.00 0.00 N ATOM 247 CA LEU A 19 -6.650 6.306 -4.283 1.00 0.00 C ATOM 248 C LEU A 19 -8.008 6.013 -4.924 1.00 0.00 C ATOM 249 O LEU A 19 -8.471 6.768 -5.777 1.00 0.00 O ATOM 250 CB LEU A 19 -6.719 7.303 -3.125 1.00 0.00 C ATOM 251 CG LEU A 19 -5.392 7.617 -2.430 1.00 0.00 C ATOM 252 CD1 LEU A 19 -5.623 8.064 -0.985 1.00 0.00 C ATOM 253 CD2 LEU A 19 -4.434 6.427 -2.515 1.00 0.00 C ATOM 0 H LEU A 19 -5.551 7.778 -5.289 1.00 0.00 H new ATOM 0 HA LEU A 19 -6.294 5.372 -3.848 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -7.140 8.236 -3.500 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -7.414 6.916 -2.380 1.00 0.00 H new ATOM 0 HG LEU A 19 -4.920 8.449 -2.953 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -4.664 8.281 -0.514 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -6.243 8.961 -0.976 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -6.126 7.269 -0.434 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -3.499 6.676 -2.014 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -4.886 5.561 -2.031 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -4.234 6.195 -3.561 1.00 0.00 H new ATOM 265 N ASP A 20 -8.608 4.915 -4.488 1.00 0.00 N ATOM 266 CA ASP A 20 -9.904 4.514 -5.009 1.00 0.00 C ATOM 267 C ASP A 20 -10.556 3.527 -4.038 1.00 0.00 C ATOM 268 O ASP A 20 -10.038 2.434 -3.817 1.00 0.00 O ATOM 269 CB ASP A 20 -9.761 3.818 -6.364 1.00 0.00 C ATOM 270 CG ASP A 20 -9.541 4.756 -7.552 1.00 0.00 C ATOM 271 OD1 ASP A 20 -10.561 5.186 -8.133 1.00 0.00 O ATOM 272 OD2 ASP A 20 -8.357 5.021 -7.854 1.00 0.00 O ATOM 0 H ASP A 20 -8.221 4.291 -3.780 1.00 0.00 H new ATOM 0 HA ASP A 20 -10.513 5.411 -5.126 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -8.925 3.121 -6.311 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -10.658 3.227 -6.548 1.00 0.00 H new ATOM 277 N TYR A 21 -11.682 3.950 -3.483 1.00 0.00 N ATOM 278 CA TYR A 21 -12.410 3.118 -2.540 1.00 0.00 C ATOM 279 C TYR A 21 -13.635 2.483 -3.201 1.00 0.00 C ATOM 280 O TYR A 21 -14.555 3.186 -3.618 1.00 0.00 O ATOM 281 CB TYR A 21 -12.876 4.054 -1.423 1.00 0.00 C ATOM 282 CG TYR A 21 -13.461 3.331 -0.209 1.00 0.00 C ATOM 283 CD1 TYR A 21 -12.621 2.800 0.749 1.00 0.00 C ATOM 284 CD2 TYR A 21 -14.829 3.210 -0.070 1.00 0.00 C ATOM 285 CE1 TYR A 21 -13.172 2.119 1.892 1.00 0.00 C ATOM 286 CE2 TYR A 21 -15.380 2.529 1.073 1.00 0.00 C ATOM 287 CZ TYR A 21 -14.524 2.017 1.998 1.00 0.00 C ATOM 288 OH TYR A 21 -15.044 1.375 3.078 1.00 0.00 O ATOM 0 H TYR A 21 -12.108 4.858 -3.668 1.00 0.00 H new ATOM 0 HA TYR A 21 -11.776 2.311 -2.172 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -12.033 4.664 -1.098 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -13.626 4.736 -1.824 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -11.551 2.895 0.641 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -15.486 3.626 -0.819 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -12.526 1.699 2.648 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -16.448 2.427 1.193 1.00 0.00 H new ATOM 0 HH TYR A 21 -14.647 0.482 3.150 1.00 0.00 H new ATOM 298 N ASP A 22 -13.609 1.161 -3.277 1.00 0.00 N ATOM 299 CA ASP A 22 -14.705 0.423 -3.881 1.00 0.00 C ATOM 300 C ASP A 22 -15.667 -0.040 -2.785 1.00 0.00 C ATOM 301 O ASP A 22 -15.546 -1.155 -2.278 1.00 0.00 O ATOM 302 CB ASP A 22 -14.196 -0.817 -4.618 1.00 0.00 C ATOM 303 CG ASP A 22 -14.993 -1.201 -5.866 1.00 0.00 C ATOM 304 OD1 ASP A 22 -16.207 -0.902 -5.877 1.00 0.00 O ATOM 305 OD2 ASP A 22 -14.371 -1.784 -6.780 1.00 0.00 O ATOM 0 H ASP A 22 -12.845 0.581 -2.930 1.00 0.00 H new ATOM 0 HA ASP A 22 -15.205 1.083 -4.590 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -13.158 -0.649 -4.906 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -14.203 -1.660 -3.927 1.00 0.00 H new ATOM 310 N CYS A 23 -16.600 0.839 -2.450 1.00 0.00 N ATOM 311 CA CYS A 23 -17.582 0.533 -1.423 1.00 0.00 C ATOM 312 C CYS A 23 -18.027 -0.919 -1.601 1.00 0.00 C ATOM 313 O CYS A 23 -18.263 -1.624 -0.621 1.00 0.00 O ATOM 314 CB CYS A 23 -18.765 1.502 -1.466 1.00 0.00 C ATOM 315 SG CYS A 23 -19.922 1.019 -2.800 1.00 0.00 S ATOM 0 H CYS A 23 -16.697 1.763 -2.871 1.00 0.00 H new ATOM 0 HA CYS A 23 -17.132 0.655 -0.438 1.00 0.00 H new ATOM 0 HB2 CYS A 23 -19.282 1.500 -0.507 1.00 0.00 H new ATOM 0 HB3 CYS A 23 -18.408 2.518 -1.634 1.00 0.00 H new ATOM 0 HG CYS A 23 -20.924 1.847 -2.826 1.00 0.00 H new ATOM 321 N GLN A 24 -18.129 -1.324 -2.858 1.00 0.00 N ATOM 322 CA GLN A 24 -18.542 -2.680 -3.177 1.00 0.00 C ATOM 323 C GLN A 24 -17.636 -3.691 -2.470 1.00 0.00 C ATOM 324 O GLN A 24 -18.121 -4.630 -1.841 1.00 0.00 O ATOM 325 CB GLN A 24 -18.545 -2.911 -4.689 1.00 0.00 C ATOM 326 CG GLN A 24 -19.177 -1.727 -5.424 1.00 0.00 C ATOM 327 CD GLN A 24 -20.271 -2.197 -6.384 1.00 0.00 C ATOM 328 OE1 GLN A 24 -20.189 -3.252 -6.991 1.00 0.00 O ATOM 329 NE2 GLN A 24 -21.298 -1.358 -6.486 1.00 0.00 N ATOM 0 H GLN A 24 -17.933 -0.736 -3.668 1.00 0.00 H new ATOM 0 HA GLN A 24 -19.562 -2.822 -2.819 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -17.524 -3.058 -5.040 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -19.096 -3.823 -4.920 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -19.598 -1.029 -4.701 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -18.409 -1.187 -5.978 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -21.303 -0.491 -5.949 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -22.080 -1.582 -7.101 1.00 0.00 H new ATOM 338 N LYS A 25 -16.337 -3.463 -2.597 1.00 0.00 N ATOM 339 CA LYS A 25 -15.360 -4.342 -1.978 1.00 0.00 C ATOM 340 C LYS A 25 -15.068 -3.853 -0.558 1.00 0.00 C ATOM 341 O LYS A 25 -14.581 -4.615 0.277 1.00 0.00 O ATOM 342 CB LYS A 25 -14.112 -4.459 -2.857 1.00 0.00 C ATOM 343 CG LYS A 25 -14.487 -4.485 -4.340 1.00 0.00 C ATOM 344 CD LYS A 25 -13.451 -5.263 -5.154 1.00 0.00 C ATOM 345 CE LYS A 25 -14.128 -6.139 -6.210 1.00 0.00 C ATOM 346 NZ LYS A 25 -13.536 -7.495 -6.217 1.00 0.00 N ATOM 0 H LYS A 25 -15.939 -2.683 -3.119 1.00 0.00 H new ATOM 0 HA LYS A 25 -15.758 -5.353 -1.892 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -13.445 -3.619 -2.661 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -13.566 -5.367 -2.600 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -15.469 -4.942 -4.463 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -14.561 -3.465 -4.718 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -12.767 -4.567 -5.639 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -12.854 -5.886 -4.488 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -15.197 -6.204 -6.006 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -14.018 -5.683 -7.194 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -14.007 -8.076 -6.940 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -12.521 -7.430 -6.434 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -13.663 -7.934 -5.283 1.00 0.00 H new ATOM 360 N ALA A 26 -15.378 -2.586 -0.327 1.00 0.00 N ATOM 361 CA ALA A 26 -15.155 -1.987 0.978 1.00 0.00 C ATOM 362 C ALA A 26 -13.664 -2.052 1.316 1.00 0.00 C ATOM 363 O ALA A 26 -13.295 -2.293 2.464 1.00 0.00 O ATOM 364 CB ALA A 26 -16.021 -2.697 2.020 1.00 0.00 C ATOM 0 H ALA A 26 -15.782 -1.957 -1.021 1.00 0.00 H new ATOM 0 HA ALA A 26 -15.446 -0.937 0.973 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -15.854 -2.248 2.999 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -17.072 -2.596 1.749 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -15.755 -3.753 2.055 1.00 0.00 H new ATOM 370 N GLU A 27 -12.849 -1.831 0.295 1.00 0.00 N ATOM 371 CA GLU A 27 -11.406 -1.861 0.470 1.00 0.00 C ATOM 372 C GLU A 27 -10.750 -0.741 -0.340 1.00 0.00 C ATOM 373 O GLU A 27 -10.952 -0.645 -1.549 1.00 0.00 O ATOM 374 CB GLU A 27 -10.835 -3.226 0.081 1.00 0.00 C ATOM 375 CG GLU A 27 -11.446 -4.340 0.935 1.00 0.00 C ATOM 376 CD GLU A 27 -10.355 -5.211 1.561 1.00 0.00 C ATOM 377 OE1 GLU A 27 -9.215 -4.707 1.663 1.00 0.00 O ATOM 378 OE2 GLU A 27 -10.686 -6.360 1.925 1.00 0.00 O ATOM 0 H GLU A 27 -13.160 -1.631 -0.656 1.00 0.00 H new ATOM 0 HA GLU A 27 -11.184 -1.698 1.525 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -11.034 -3.420 -0.973 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -9.752 -3.220 0.205 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -12.064 -3.904 1.720 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -12.101 -4.957 0.320 1.00 0.00 H new ATOM 385 N LEU A 28 -9.977 0.077 0.360 1.00 0.00 N ATOM 386 CA LEU A 28 -9.290 1.186 -0.279 1.00 0.00 C ATOM 387 C LEU A 28 -8.209 0.640 -1.214 1.00 0.00 C ATOM 388 O LEU A 28 -7.516 -0.318 -0.875 1.00 0.00 O ATOM 389 CB LEU A 28 -8.759 2.163 0.771 1.00 0.00 C ATOM 390 CG LEU A 28 -8.232 3.498 0.240 1.00 0.00 C ATOM 391 CD1 LEU A 28 -6.868 3.321 -0.430 1.00 0.00 C ATOM 392 CD2 LEU A 28 -9.249 4.156 -0.695 1.00 0.00 C ATOM 0 H LEU A 28 -9.812 -0.006 1.363 1.00 0.00 H new ATOM 0 HA LEU A 28 -9.983 1.760 -0.894 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -9.557 2.368 1.484 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -7.957 1.672 1.323 1.00 0.00 H new ATOM 0 HG LEU A 28 -8.090 4.171 1.086 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -6.516 4.284 -0.799 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -6.155 2.927 0.294 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -6.960 2.625 -1.264 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -8.850 5.103 -1.058 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -9.446 3.497 -1.541 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -10.177 4.338 -0.153 1.00 0.00 H new ATOM 404 N PHE A 29 -8.097 1.274 -2.372 1.00 0.00 N ATOM 405 CA PHE A 29 -7.112 0.864 -3.358 1.00 0.00 C ATOM 406 C PHE A 29 -6.128 1.997 -3.654 1.00 0.00 C ATOM 407 O PHE A 29 -6.493 3.171 -3.603 1.00 0.00 O ATOM 408 CB PHE A 29 -7.876 0.521 -4.638 1.00 0.00 C ATOM 409 CG PHE A 29 -8.758 -0.724 -4.522 1.00 0.00 C ATOM 410 CD1 PHE A 29 -9.976 -0.641 -3.922 1.00 0.00 C ATOM 411 CD2 PHE A 29 -8.324 -1.914 -5.018 1.00 0.00 C ATOM 412 CE1 PHE A 29 -10.795 -1.796 -3.814 1.00 0.00 C ATOM 413 CE2 PHE A 29 -9.143 -3.069 -4.910 1.00 0.00 C ATOM 414 CZ PHE A 29 -10.361 -2.986 -4.310 1.00 0.00 C ATOM 0 H PHE A 29 -8.673 2.069 -2.649 1.00 0.00 H new ATOM 0 HA PHE A 29 -6.543 0.013 -2.983 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -8.500 1.371 -4.915 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -7.161 0.373 -5.447 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -10.320 0.304 -3.528 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -7.357 -1.980 -5.494 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -11.762 -1.730 -3.338 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -8.799 -4.014 -5.304 1.00 0.00 H new ATOM 0 HZ PHE A 29 -10.983 -3.865 -4.227 1.00 0.00 H new ATOM 424 N VAL A 30 -4.899 1.607 -3.956 1.00 0.00 N ATOM 425 CA VAL A 30 -3.859 2.575 -4.260 1.00 0.00 C ATOM 426 C VAL A 30 -3.170 2.184 -5.569 1.00 0.00 C ATOM 427 O VAL A 30 -2.030 1.723 -5.561 1.00 0.00 O ATOM 428 CB VAL A 30 -2.887 2.687 -3.084 1.00 0.00 C ATOM 429 CG1 VAL A 30 -1.853 3.787 -3.330 1.00 0.00 C ATOM 430 CG2 VAL A 30 -3.639 2.924 -1.773 1.00 0.00 C ATOM 0 H VAL A 30 -4.600 0.633 -3.997 1.00 0.00 H new ATOM 0 HA VAL A 30 -4.291 3.566 -4.403 1.00 0.00 H new ATOM 0 HB VAL A 30 -2.354 1.740 -2.998 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -1.174 3.845 -2.479 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -1.285 3.558 -4.232 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -2.361 4.743 -3.455 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -2.925 3.000 -0.953 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -4.211 3.849 -1.844 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -4.318 2.092 -1.587 1.00 0.00 H new ATOM 440 N THR A 31 -3.892 2.382 -6.663 1.00 0.00 N ATOM 441 CA THR A 31 -3.365 2.055 -7.977 1.00 0.00 C ATOM 442 C THR A 31 -2.452 3.176 -8.479 1.00 0.00 C ATOM 443 O THR A 31 -2.267 4.183 -7.797 1.00 0.00 O ATOM 444 CB THR A 31 -4.548 1.774 -8.905 1.00 0.00 C ATOM 445 OG1 THR A 31 -5.414 2.889 -8.711 1.00 0.00 O ATOM 446 CG2 THR A 31 -5.379 0.574 -8.447 1.00 0.00 C ATOM 0 H THR A 31 -4.837 2.765 -6.666 1.00 0.00 H new ATOM 0 HA THR A 31 -2.742 1.161 -7.942 1.00 0.00 H new ATOM 0 HB THR A 31 -4.182 1.598 -9.916 1.00 0.00 H new ATOM 0 HG1 THR A 31 -6.208 2.789 -9.277 1.00 0.00 H new ATOM 0 HG21 THR A 31 -6.206 0.418 -9.140 1.00 0.00 H new ATOM 0 HG22 THR A 31 -4.751 -0.317 -8.425 1.00 0.00 H new ATOM 0 HG23 THR A 31 -5.773 0.764 -7.449 1.00 0.00 H new ATOM 454 N ARG A 32 -1.905 2.963 -9.667 1.00 0.00 N ATOM 455 CA ARG A 32 -1.016 3.943 -10.268 1.00 0.00 C ATOM 456 C ARG A 32 0.142 4.260 -9.320 1.00 0.00 C ATOM 457 O ARG A 32 0.103 5.254 -8.597 1.00 0.00 O ATOM 458 CB ARG A 32 -1.765 5.236 -10.598 1.00 0.00 C ATOM 459 CG ARG A 32 -3.041 4.944 -11.390 1.00 0.00 C ATOM 460 CD ARG A 32 -2.775 4.997 -12.896 1.00 0.00 C ATOM 461 NE ARG A 32 -4.047 4.855 -13.640 1.00 0.00 N ATOM 462 CZ ARG A 32 -4.716 3.701 -13.768 1.00 0.00 C ATOM 463 NH1 ARG A 32 -4.239 2.583 -13.205 1.00 0.00 N ATOM 464 NH2 ARG A 32 -5.863 3.665 -14.461 1.00 0.00 N ATOM 0 H ARG A 32 -2.060 2.126 -10.229 1.00 0.00 H new ATOM 0 HA ARG A 32 -0.627 3.516 -11.192 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -2.017 5.760 -9.676 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -1.119 5.898 -11.174 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -3.424 3.960 -11.119 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -3.811 5.670 -11.127 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -2.295 5.941 -13.156 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -2.087 4.201 -13.180 1.00 0.00 H new ATOM 0 HE ARG A 32 -4.438 5.687 -14.082 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -3.366 2.610 -12.678 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -4.749 1.705 -13.303 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -6.226 4.516 -14.891 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -6.372 2.787 -14.559 1.00 0.00 H new ATOM 478 N LEU A 33 1.146 3.396 -9.355 1.00 0.00 N ATOM 479 CA LEU A 33 2.314 3.572 -8.508 1.00 0.00 C ATOM 480 C LEU A 33 3.516 3.948 -9.376 1.00 0.00 C ATOM 481 O LEU A 33 3.833 3.252 -10.340 1.00 0.00 O ATOM 482 CB LEU A 33 2.543 2.328 -7.647 1.00 0.00 C ATOM 483 CG LEU A 33 1.611 2.163 -6.445 1.00 0.00 C ATOM 484 CD1 LEU A 33 1.737 0.763 -5.841 1.00 0.00 C ATOM 485 CD2 LEU A 33 1.856 3.260 -5.406 1.00 0.00 C ATOM 0 H LEU A 33 1.175 2.573 -9.956 1.00 0.00 H new ATOM 0 HA LEU A 33 2.157 4.392 -7.808 1.00 0.00 H new ATOM 0 HB2 LEU A 33 2.444 1.448 -8.282 1.00 0.00 H new ATOM 0 HB3 LEU A 33 3.571 2.345 -7.285 1.00 0.00 H new ATOM 0 HG LEU A 33 0.584 2.272 -6.792 1.00 0.00 H new ATOM 0 HD11 LEU A 33 1.064 0.673 -4.988 1.00 0.00 H new ATOM 0 HD12 LEU A 33 1.474 0.018 -6.592 1.00 0.00 H new ATOM 0 HD13 LEU A 33 2.763 0.600 -5.512 1.00 0.00 H new ATOM 0 HD21 LEU A 33 1.181 3.119 -4.562 1.00 0.00 H new ATOM 0 HD22 LEU A 33 2.888 3.208 -5.058 1.00 0.00 H new ATOM 0 HD23 LEU A 33 1.675 4.236 -5.857 1.00 0.00 H new ATOM 497 N GLU A 34 4.153 5.049 -9.004 1.00 0.00 N ATOM 498 CA GLU A 34 5.313 5.527 -9.737 1.00 0.00 C ATOM 499 C GLU A 34 6.191 6.395 -8.833 1.00 0.00 C ATOM 500 O GLU A 34 5.893 7.568 -8.614 1.00 0.00 O ATOM 501 CB GLU A 34 4.891 6.293 -10.992 1.00 0.00 C ATOM 502 CG GLU A 34 4.041 5.414 -11.912 1.00 0.00 C ATOM 503 CD GLU A 34 3.750 6.126 -13.235 1.00 0.00 C ATOM 504 OE1 GLU A 34 4.728 6.599 -13.852 1.00 0.00 O ATOM 505 OE2 GLU A 34 2.555 6.181 -13.598 1.00 0.00 O ATOM 0 H GLU A 34 3.887 5.624 -8.204 1.00 0.00 H new ATOM 0 HA GLU A 34 5.897 4.664 -10.058 1.00 0.00 H new ATOM 0 HB2 GLU A 34 4.326 7.181 -10.708 1.00 0.00 H new ATOM 0 HB3 GLU A 34 5.776 6.636 -11.527 1.00 0.00 H new ATOM 0 HG2 GLU A 34 4.561 4.476 -12.106 1.00 0.00 H new ATOM 0 HG3 GLU A 34 3.103 5.162 -11.416 1.00 0.00 H new ATOM 512 N ALA A 35 7.256 5.785 -8.334 1.00 0.00 N ATOM 513 CA ALA A 35 8.179 6.487 -7.459 1.00 0.00 C ATOM 514 C ALA A 35 9.191 7.260 -8.307 1.00 0.00 C ATOM 515 O ALA A 35 9.462 6.888 -9.448 1.00 0.00 O ATOM 516 CB ALA A 35 8.851 5.486 -6.517 1.00 0.00 C ATOM 0 H ALA A 35 7.500 4.812 -8.519 1.00 0.00 H new ATOM 0 HA ALA A 35 7.647 7.210 -6.841 1.00 0.00 H new ATOM 0 HB1 ALA A 35 9.544 6.013 -5.860 1.00 0.00 H new ATOM 0 HB2 ALA A 35 8.092 4.985 -5.917 1.00 0.00 H new ATOM 0 HB3 ALA A 35 9.397 4.746 -7.102 1.00 0.00 H new ATOM 522 N VAL A 36 9.721 8.321 -7.718 1.00 0.00 N ATOM 523 CA VAL A 36 10.697 9.150 -8.406 1.00 0.00 C ATOM 524 C VAL A 36 11.808 9.538 -7.429 1.00 0.00 C ATOM 525 O VAL A 36 11.865 10.678 -6.968 1.00 0.00 O ATOM 526 CB VAL A 36 10.005 10.360 -9.036 1.00 0.00 C ATOM 527 CG1 VAL A 36 11.002 11.492 -9.288 1.00 0.00 C ATOM 528 CG2 VAL A 36 9.282 9.968 -10.326 1.00 0.00 C ATOM 0 H VAL A 36 9.493 8.626 -6.772 1.00 0.00 H new ATOM 0 HA VAL A 36 11.161 8.597 -9.223 1.00 0.00 H new ATOM 0 HB VAL A 36 9.258 10.723 -8.331 1.00 0.00 H new ATOM 0 HG11 VAL A 36 10.484 12.340 -9.736 1.00 0.00 H new ATOM 0 HG12 VAL A 36 11.450 11.799 -8.343 1.00 0.00 H new ATOM 0 HG13 VAL A 36 11.783 11.145 -9.965 1.00 0.00 H new ATOM 0 HG21 VAL A 36 8.799 10.846 -10.753 1.00 0.00 H new ATOM 0 HG22 VAL A 36 10.002 9.567 -11.039 1.00 0.00 H new ATOM 0 HG23 VAL A 36 8.529 9.211 -10.106 1.00 0.00 H new ATOM 538 N THR A 37 12.665 8.569 -7.141 1.00 0.00 N ATOM 539 CA THR A 37 13.772 8.796 -6.227 1.00 0.00 C ATOM 540 C THR A 37 14.865 7.749 -6.444 1.00 0.00 C ATOM 541 O THR A 37 14.599 6.666 -6.965 1.00 0.00 O ATOM 542 CB THR A 37 13.214 8.806 -4.802 1.00 0.00 C ATOM 543 OG1 THR A 37 14.374 8.836 -3.975 1.00 0.00 O ATOM 544 CG2 THR A 37 12.527 7.489 -4.433 1.00 0.00 C ATOM 0 H THR A 37 12.615 7.625 -7.524 1.00 0.00 H new ATOM 0 HA THR A 37 14.247 9.759 -6.412 1.00 0.00 H new ATOM 0 HB THR A 37 12.505 9.627 -4.696 1.00 0.00 H new ATOM 0 HG1 THR A 37 14.141 8.530 -3.074 1.00 0.00 H new ATOM 0 HG21 THR A 37 12.149 7.549 -3.412 1.00 0.00 H new ATOM 0 HG22 THR A 37 11.698 7.307 -5.117 1.00 0.00 H new ATOM 0 HG23 THR A 37 13.244 6.671 -4.507 1.00 0.00 H new ATOM 552 N SER A 38 16.073 8.107 -6.034 1.00 0.00 N ATOM 553 CA SER A 38 17.209 7.212 -6.177 1.00 0.00 C ATOM 554 C SER A 38 17.835 6.938 -4.808 1.00 0.00 C ATOM 555 O SER A 38 18.129 7.868 -4.059 1.00 0.00 O ATOM 556 CB SER A 38 18.253 7.795 -7.131 1.00 0.00 C ATOM 557 OG SER A 38 18.754 9.048 -6.674 1.00 0.00 O ATOM 0 H SER A 38 16.290 9.005 -5.602 1.00 0.00 H new ATOM 0 HA SER A 38 16.853 6.273 -6.601 1.00 0.00 H new ATOM 0 HB2 SER A 38 19.079 7.092 -7.238 1.00 0.00 H new ATOM 0 HB3 SER A 38 17.811 7.920 -8.119 1.00 0.00 H new ATOM 0 HG SER A 38 19.419 9.386 -7.310 1.00 0.00 H new ATOM 563 N ASN A 39 18.020 5.657 -4.523 1.00 0.00 N ATOM 564 CA ASN A 39 18.606 5.249 -3.258 1.00 0.00 C ATOM 565 C ASN A 39 19.281 3.887 -3.429 1.00 0.00 C ATOM 566 O ASN A 39 18.833 3.064 -4.226 1.00 0.00 O ATOM 567 CB ASN A 39 17.535 5.114 -2.174 1.00 0.00 C ATOM 568 CG ASN A 39 18.033 5.673 -0.839 1.00 0.00 C ATOM 569 OD1 ASN A 39 18.243 4.955 0.125 1.00 0.00 O ATOM 570 ND2 ASN A 39 18.209 6.991 -0.837 1.00 0.00 N ATOM 0 H ASN A 39 17.774 4.888 -5.147 1.00 0.00 H new ATOM 0 HA ASN A 39 19.328 6.009 -2.959 1.00 0.00 H new ATOM 0 HB2 ASN A 39 16.633 5.644 -2.481 1.00 0.00 H new ATOM 0 HB3 ASN A 39 17.263 4.065 -2.055 1.00 0.00 H new ATOM 0 HD21 ASN A 39 18.539 7.460 0.006 1.00 0.00 H new ATOM 0 HD22 ASN A 39 18.014 7.533 -1.679 1.00 0.00 H new ATOM 577 N HIS A 40 20.348 3.691 -2.668 1.00 0.00 N ATOM 578 CA HIS A 40 21.089 2.442 -2.725 1.00 0.00 C ATOM 579 C HIS A 40 21.619 2.225 -4.144 1.00 0.00 C ATOM 580 O HIS A 40 21.143 2.849 -5.091 1.00 0.00 O ATOM 581 CB HIS A 40 20.230 1.278 -2.228 1.00 0.00 C ATOM 582 CG HIS A 40 20.055 1.240 -0.729 1.00 0.00 C ATOM 583 ND1 HIS A 40 18.812 1.253 -0.119 1.00 0.00 N ATOM 584 CD2 HIS A 40 20.976 1.190 0.275 1.00 0.00 C ATOM 585 CE1 HIS A 40 18.990 1.212 1.193 1.00 0.00 C ATOM 586 NE2 HIS A 40 20.332 1.174 1.436 1.00 0.00 N ATOM 0 H HIS A 40 20.717 4.376 -2.009 1.00 0.00 H new ATOM 0 HA HIS A 40 21.949 2.493 -2.057 1.00 0.00 H new ATOM 0 HB2 HIS A 40 19.248 1.339 -2.697 1.00 0.00 H new ATOM 0 HB3 HIS A 40 20.682 0.341 -2.555 1.00 0.00 H new ATOM 0 HD2 HIS A 40 22.048 1.167 0.148 1.00 0.00 H new ATOM 0 HE1 HIS A 40 18.210 1.209 1.940 1.00 0.00 H new ATOM 0 HE2 HIS A 40 20.768 1.139 2.357 1.00 0.00 H new ATOM 594 N ASP A 41 22.597 1.337 -4.246 1.00 0.00 N ATOM 595 CA ASP A 41 23.197 1.030 -5.533 1.00 0.00 C ATOM 596 C ASP A 41 23.829 -0.363 -5.477 1.00 0.00 C ATOM 597 O ASP A 41 24.453 -0.725 -4.481 1.00 0.00 O ATOM 598 CB ASP A 41 24.297 2.034 -5.883 1.00 0.00 C ATOM 599 CG ASP A 41 24.281 2.534 -7.328 1.00 0.00 C ATOM 600 OD1 ASP A 41 24.041 1.690 -8.218 1.00 0.00 O ATOM 601 OD2 ASP A 41 24.509 3.750 -7.511 1.00 0.00 O ATOM 0 H ASP A 41 22.989 0.820 -3.459 1.00 0.00 H new ATOM 0 HA ASP A 41 22.413 1.076 -6.289 1.00 0.00 H new ATOM 0 HB2 ASP A 41 24.210 2.892 -5.217 1.00 0.00 H new ATOM 0 HB3 ASP A 41 25.265 1.573 -5.685 1.00 0.00 H new ATOM 606 N GLY A 42 23.646 -1.105 -6.559 1.00 0.00 N ATOM 607 CA GLY A 42 24.191 -2.449 -6.645 1.00 0.00 C ATOM 608 C GLY A 42 23.144 -3.431 -7.176 1.00 0.00 C ATOM 609 O GLY A 42 23.404 -4.167 -8.127 1.00 0.00 O ATOM 0 H GLY A 42 23.128 -0.801 -7.383 1.00 0.00 H new ATOM 0 HA2 GLY A 42 25.062 -2.451 -7.300 1.00 0.00 H new ATOM 0 HA3 GLY A 42 24.531 -2.771 -5.661 1.00 0.00 H new ATOM 613 N GLY A 43 21.983 -3.412 -6.538 1.00 0.00 N ATOM 614 CA GLY A 43 20.897 -4.291 -6.934 1.00 0.00 C ATOM 615 C GLY A 43 19.914 -4.502 -5.781 1.00 0.00 C ATOM 616 O GLY A 43 20.032 -5.469 -5.029 1.00 0.00 O ATOM 0 H GLY A 43 21.771 -2.801 -5.749 1.00 0.00 H new ATOM 0 HA2 GLY A 43 20.373 -3.865 -7.790 1.00 0.00 H new ATOM 0 HA3 GLY A 43 21.300 -5.252 -7.253 1.00 0.00 H new ATOM 620 N CYS A 44 18.966 -3.583 -5.678 1.00 0.00 N ATOM 621 CA CYS A 44 17.963 -3.656 -4.629 1.00 0.00 C ATOM 622 C CYS A 44 16.581 -3.562 -5.278 1.00 0.00 C ATOM 623 O CYS A 44 16.388 -2.805 -6.228 1.00 0.00 O ATOM 624 CB CYS A 44 18.172 -2.571 -3.570 1.00 0.00 C ATOM 625 SG CYS A 44 19.171 -3.230 -2.186 1.00 0.00 S ATOM 0 H CYS A 44 18.871 -2.783 -6.304 1.00 0.00 H new ATOM 0 HA CYS A 44 18.052 -4.606 -4.103 1.00 0.00 H new ATOM 0 HB2 CYS A 44 18.673 -1.711 -4.013 1.00 0.00 H new ATOM 0 HB3 CYS A 44 17.208 -2.223 -3.200 1.00 0.00 H new ATOM 0 HG CYS A 44 18.411 -3.931 -1.397 1.00 0.00 H new ATOM 631 N ASP A 45 15.655 -4.342 -4.739 1.00 0.00 N ATOM 632 CA ASP A 45 14.297 -4.357 -5.254 1.00 0.00 C ATOM 633 C ASP A 45 13.430 -3.411 -4.420 1.00 0.00 C ATOM 634 O ASP A 45 13.042 -3.743 -3.301 1.00 0.00 O ATOM 635 CB ASP A 45 13.689 -5.758 -5.165 1.00 0.00 C ATOM 636 CG ASP A 45 13.775 -6.583 -6.451 1.00 0.00 C ATOM 637 OD1 ASP A 45 13.031 -6.241 -7.395 1.00 0.00 O ATOM 638 OD2 ASP A 45 14.582 -7.537 -6.460 1.00 0.00 O ATOM 0 H ASP A 45 15.819 -4.968 -3.951 1.00 0.00 H new ATOM 0 HA ASP A 45 14.329 -4.044 -6.298 1.00 0.00 H new ATOM 0 HB2 ASP A 45 14.190 -6.305 -4.366 1.00 0.00 H new ATOM 0 HB3 ASP A 45 12.641 -5.666 -4.880 1.00 0.00 H new ATOM 643 N CYS A 46 13.151 -2.252 -4.998 1.00 0.00 N ATOM 644 CA CYS A 46 12.337 -1.256 -4.322 1.00 0.00 C ATOM 645 C CYS A 46 10.866 -1.565 -4.605 1.00 0.00 C ATOM 646 O CYS A 46 10.523 -2.029 -5.692 1.00 0.00 O ATOM 647 CB CYS A 46 12.713 0.165 -4.746 1.00 0.00 C ATOM 648 SG CYS A 46 12.395 0.389 -6.534 1.00 0.00 S ATOM 0 H CYS A 46 13.474 -1.980 -5.927 1.00 0.00 H new ATOM 0 HA CYS A 46 12.517 -1.304 -3.248 1.00 0.00 H new ATOM 0 HB2 CYS A 46 12.135 0.890 -4.172 1.00 0.00 H new ATOM 0 HB3 CYS A 46 13.765 0.352 -4.529 1.00 0.00 H new ATOM 0 HG CYS A 46 11.601 -0.550 -6.955 1.00 0.00 H new ATOM 654 N TYR A 47 10.035 -1.297 -3.608 1.00 0.00 N ATOM 655 CA TYR A 47 8.609 -1.541 -3.736 1.00 0.00 C ATOM 656 C TYR A 47 7.810 -0.627 -2.804 1.00 0.00 C ATOM 657 O TYR A 47 8.312 -0.204 -1.764 1.00 0.00 O ATOM 658 CB TYR A 47 8.390 -2.995 -3.316 1.00 0.00 C ATOM 659 CG TYR A 47 8.854 -3.308 -1.892 1.00 0.00 C ATOM 660 CD1 TYR A 47 10.183 -3.585 -1.645 1.00 0.00 C ATOM 661 CD2 TYR A 47 7.944 -3.312 -0.855 1.00 0.00 C ATOM 662 CE1 TYR A 47 10.620 -3.879 -0.304 1.00 0.00 C ATOM 663 CE2 TYR A 47 8.381 -3.606 0.486 1.00 0.00 C ATOM 664 CZ TYR A 47 9.697 -3.875 0.695 1.00 0.00 C ATOM 665 OH TYR A 47 10.110 -4.153 1.960 1.00 0.00 O ATOM 0 H TYR A 47 10.323 -0.913 -2.708 1.00 0.00 H new ATOM 0 HA TYR A 47 8.277 -1.346 -4.756 1.00 0.00 H new ATOM 0 HB2 TYR A 47 7.329 -3.231 -3.402 1.00 0.00 H new ATOM 0 HB3 TYR A 47 8.919 -3.647 -4.011 1.00 0.00 H new ATOM 0 HD1 TYR A 47 10.895 -3.581 -2.457 1.00 0.00 H new ATOM 0 HD2 TYR A 47 6.904 -3.095 -1.049 1.00 0.00 H new ATOM 0 HE1 TYR A 47 11.657 -4.098 -0.097 1.00 0.00 H new ATOM 0 HE2 TYR A 47 7.679 -3.613 1.307 1.00 0.00 H new ATOM 0 HH TYR A 47 11.075 -4.326 1.959 1.00 0.00 H new ATOM 675 N VAL A 48 6.580 -0.350 -3.211 1.00 0.00 N ATOM 676 CA VAL A 48 5.707 0.505 -2.425 1.00 0.00 C ATOM 677 C VAL A 48 4.894 -0.355 -1.455 1.00 0.00 C ATOM 678 O VAL A 48 4.688 -1.543 -1.698 1.00 0.00 O ATOM 679 CB VAL A 48 4.831 1.352 -3.351 1.00 0.00 C ATOM 680 CG1 VAL A 48 4.053 2.405 -2.559 1.00 0.00 C ATOM 681 CG2 VAL A 48 5.669 2.003 -4.453 1.00 0.00 C ATOM 0 H VAL A 48 6.167 -0.702 -4.075 1.00 0.00 H new ATOM 0 HA VAL A 48 6.294 1.202 -1.827 1.00 0.00 H new ATOM 0 HB VAL A 48 4.108 0.690 -3.827 1.00 0.00 H new ATOM 0 HG11 VAL A 48 3.439 2.993 -3.241 1.00 0.00 H new ATOM 0 HG12 VAL A 48 3.413 1.911 -1.828 1.00 0.00 H new ATOM 0 HG13 VAL A 48 4.753 3.062 -2.043 1.00 0.00 H new ATOM 0 HG21 VAL A 48 5.023 2.599 -5.097 1.00 0.00 H new ATOM 0 HG22 VAL A 48 6.426 2.646 -4.003 1.00 0.00 H new ATOM 0 HG23 VAL A 48 6.156 1.228 -5.045 1.00 0.00 H new ATOM 691 N GLN A 49 4.455 0.278 -0.378 1.00 0.00 N ATOM 692 CA GLN A 49 3.669 -0.415 0.629 1.00 0.00 C ATOM 693 C GLN A 49 2.612 0.522 1.216 1.00 0.00 C ATOM 694 O GLN A 49 2.943 1.580 1.750 1.00 0.00 O ATOM 695 CB GLN A 49 4.567 -0.985 1.729 1.00 0.00 C ATOM 696 CG GLN A 49 3.736 -1.673 2.814 1.00 0.00 C ATOM 697 CD GLN A 49 4.423 -1.572 4.177 1.00 0.00 C ATOM 698 OE1 GLN A 49 5.320 -0.773 4.392 1.00 0.00 O ATOM 699 NE2 GLN A 49 3.955 -2.426 5.084 1.00 0.00 N ATOM 0 H GLN A 49 4.628 1.263 -0.180 1.00 0.00 H new ATOM 0 HA GLN A 49 3.159 -1.252 0.151 1.00 0.00 H new ATOM 0 HB2 GLN A 49 5.269 -1.698 1.297 1.00 0.00 H new ATOM 0 HB3 GLN A 49 5.158 -0.184 2.172 1.00 0.00 H new ATOM 0 HG2 GLN A 49 2.748 -1.215 2.866 1.00 0.00 H new ATOM 0 HG3 GLN A 49 3.588 -2.721 2.554 1.00 0.00 H new ATOM 0 HE21 GLN A 49 3.202 -3.069 4.839 1.00 0.00 H new ATOM 0 HE22 GLN A 49 4.349 -2.438 6.025 1.00 0.00 H new ATOM 708 N GLY A 50 1.362 0.101 1.096 1.00 0.00 N ATOM 709 CA GLY A 50 0.254 0.889 1.608 1.00 0.00 C ATOM 710 C GLY A 50 -0.200 0.375 2.975 1.00 0.00 C ATOM 711 O GLY A 50 -0.452 -0.818 3.141 1.00 0.00 O ATOM 0 H GLY A 50 1.092 -0.776 0.651 1.00 0.00 H new ATOM 0 HA2 GLY A 50 0.554 1.934 1.690 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -0.579 0.850 0.906 1.00 0.00 H new ATOM 715 N SER A 51 -0.292 1.299 3.919 1.00 0.00 N ATOM 716 CA SER A 51 -0.712 0.954 5.267 1.00 0.00 C ATOM 717 C SER A 51 -1.913 1.809 5.676 1.00 0.00 C ATOM 718 O SER A 51 -1.898 3.027 5.507 1.00 0.00 O ATOM 719 CB SER A 51 0.434 1.136 6.264 1.00 0.00 C ATOM 720 OG SER A 51 1.250 2.259 5.941 1.00 0.00 O ATOM 0 H SER A 51 -0.083 2.287 3.778 1.00 0.00 H new ATOM 0 HA SER A 51 -1.002 -0.097 5.277 1.00 0.00 H new ATOM 0 HB2 SER A 51 0.026 1.261 7.267 1.00 0.00 H new ATOM 0 HB3 SER A 51 1.047 0.235 6.280 1.00 0.00 H new ATOM 0 HG SER A 51 0.776 2.836 5.307 1.00 0.00 H new ATOM 726 N VAL A 52 -2.924 1.137 6.207 1.00 0.00 N ATOM 727 CA VAL A 52 -4.130 1.820 6.642 1.00 0.00 C ATOM 728 C VAL A 52 -4.352 1.554 8.133 1.00 0.00 C ATOM 729 O VAL A 52 -3.880 0.551 8.665 1.00 0.00 O ATOM 730 CB VAL A 52 -5.316 1.391 5.775 1.00 0.00 C ATOM 731 CG1 VAL A 52 -6.558 1.139 6.632 1.00 0.00 C ATOM 732 CG2 VAL A 52 -5.601 2.426 4.686 1.00 0.00 C ATOM 0 H VAL A 52 -2.932 0.127 6.346 1.00 0.00 H new ATOM 0 HA VAL A 52 -4.025 2.898 6.516 1.00 0.00 H new ATOM 0 HB VAL A 52 -5.052 0.454 5.285 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -7.386 0.836 5.992 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -6.348 0.349 7.353 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -6.825 2.053 7.163 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -6.448 2.097 4.084 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -5.835 3.385 5.148 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -4.723 2.535 4.049 1.00 0.00 H new ATOM 742 N ALA A 53 -5.071 2.471 8.764 1.00 0.00 N ATOM 743 CA ALA A 53 -5.361 2.349 10.182 1.00 0.00 C ATOM 744 C ALA A 53 -6.813 2.757 10.438 1.00 0.00 C ATOM 745 O ALA A 53 -7.162 3.931 10.318 1.00 0.00 O ATOM 746 CB ALA A 53 -4.368 3.194 10.982 1.00 0.00 C ATOM 0 H ALA A 53 -5.461 3.302 8.319 1.00 0.00 H new ATOM 0 HA ALA A 53 -5.246 1.316 10.509 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -4.586 3.102 12.046 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -3.354 2.845 10.788 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -4.455 4.238 10.683 1.00 0.00 H new ATOM 752 N ASN A 54 -7.621 1.766 10.786 1.00 0.00 N ATOM 753 CA ASN A 54 -9.027 2.008 11.060 1.00 0.00 C ATOM 754 C ASN A 54 -9.282 1.862 12.562 1.00 0.00 C ATOM 755 O ASN A 54 -8.352 1.630 13.333 1.00 0.00 O ATOM 756 CB ASN A 54 -9.912 0.996 10.330 1.00 0.00 C ATOM 757 CG ASN A 54 -9.156 -0.309 10.073 1.00 0.00 C ATOM 758 OD1 ASN A 54 -8.731 -1.000 10.984 1.00 0.00 O ATOM 759 ND2 ASN A 54 -9.014 -0.607 8.785 1.00 0.00 N ATOM 0 H ASN A 54 -7.328 0.794 10.884 1.00 0.00 H new ATOM 0 HA ASN A 54 -9.269 3.014 10.716 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -10.804 0.793 10.923 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -10.248 1.418 9.383 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -8.525 -1.458 8.509 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -9.394 0.016 8.072 1.00 0.00 H new ATOM 766 N ARG A 55 -10.547 2.004 12.931 1.00 0.00 N ATOM 767 CA ARG A 55 -10.935 1.891 14.327 1.00 0.00 C ATOM 768 C ARG A 55 -11.058 0.419 14.726 1.00 0.00 C ATOM 769 O ARG A 55 -11.467 0.107 15.843 1.00 0.00 O ATOM 770 CB ARG A 55 -12.269 2.595 14.586 1.00 0.00 C ATOM 771 CG ARG A 55 -12.055 3.923 15.315 1.00 0.00 C ATOM 772 CD ARG A 55 -13.370 4.694 15.448 1.00 0.00 C ATOM 773 NE ARG A 55 -13.431 5.365 16.766 1.00 0.00 N ATOM 774 CZ ARG A 55 -13.524 4.718 17.935 1.00 0.00 C ATOM 775 NH1 ARG A 55 -13.566 3.379 17.959 1.00 0.00 N ATOM 776 NH2 ARG A 55 -13.574 5.410 19.082 1.00 0.00 N ATOM 0 H ARG A 55 -11.315 2.196 12.288 1.00 0.00 H new ATOM 0 HA ARG A 55 -10.161 2.370 14.926 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -12.780 2.774 13.640 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -12.916 1.950 15.181 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -11.638 3.736 16.304 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -11.328 4.527 14.772 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -13.451 5.433 14.650 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -14.214 4.013 15.338 1.00 0.00 H new ATOM 0 HE ARG A 55 -13.400 6.384 16.785 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -13.527 2.852 17.087 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -13.637 2.887 18.850 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -13.541 6.429 19.064 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -13.645 4.917 19.972 1.00 0.00 H new ATOM 790 N THR A 56 -10.697 -0.447 13.790 1.00 0.00 N ATOM 791 CA THR A 56 -10.761 -1.879 14.031 1.00 0.00 C ATOM 792 C THR A 56 -9.353 -2.464 14.148 1.00 0.00 C ATOM 793 O THR A 56 -9.176 -3.570 14.656 1.00 0.00 O ATOM 794 CB THR A 56 -11.590 -2.509 12.909 1.00 0.00 C ATOM 795 OG1 THR A 56 -10.790 -2.331 11.744 1.00 0.00 O ATOM 796 CG2 THR A 56 -12.866 -1.720 12.610 1.00 0.00 C ATOM 0 H THR A 56 -10.359 -0.185 12.864 1.00 0.00 H new ATOM 0 HA THR A 56 -11.249 -2.100 14.980 1.00 0.00 H new ATOM 0 HB THR A 56 -11.851 -3.532 13.181 1.00 0.00 H new ATOM 0 HG1 THR A 56 -10.064 -1.702 11.938 1.00 0.00 H new ATOM 0 HG21 THR A 56 -13.417 -2.210 11.807 1.00 0.00 H new ATOM 0 HG22 THR A 56 -13.487 -1.681 13.505 1.00 0.00 H new ATOM 0 HG23 THR A 56 -12.604 -0.707 12.305 1.00 0.00 H new ATOM 804 N GLY A 57 -8.386 -1.695 13.669 1.00 0.00 N ATOM 805 CA GLY A 57 -6.998 -2.124 13.713 1.00 0.00 C ATOM 806 C GLY A 57 -6.166 -1.401 12.652 1.00 0.00 C ATOM 807 O GLY A 57 -6.113 -0.172 12.630 1.00 0.00 O ATOM 0 H GLY A 57 -8.536 -0.778 13.249 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -6.584 -1.926 14.702 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -6.941 -3.201 13.553 1.00 0.00 H new ATOM 811 N SER A 58 -5.539 -2.194 11.796 1.00 0.00 N ATOM 812 CA SER A 58 -4.712 -1.646 10.734 1.00 0.00 C ATOM 813 C SER A 58 -4.429 -2.720 9.683 1.00 0.00 C ATOM 814 O SER A 58 -4.565 -3.912 9.956 1.00 0.00 O ATOM 815 CB SER A 58 -3.400 -1.088 11.290 1.00 0.00 C ATOM 816 OG SER A 58 -2.797 -1.976 12.227 1.00 0.00 O ATOM 0 H SER A 58 -5.587 -3.213 11.816 1.00 0.00 H new ATOM 0 HA SER A 58 -5.256 -0.825 10.267 1.00 0.00 H new ATOM 0 HB2 SER A 58 -2.708 -0.903 10.469 1.00 0.00 H new ATOM 0 HB3 SER A 58 -3.589 -0.128 11.770 1.00 0.00 H new ATOM 0 HG SER A 58 -1.961 -1.585 12.557 1.00 0.00 H new ATOM 822 N VAL A 59 -4.041 -2.261 8.503 1.00 0.00 N ATOM 823 CA VAL A 59 -3.738 -3.168 7.409 1.00 0.00 C ATOM 824 C VAL A 59 -2.423 -2.746 6.751 1.00 0.00 C ATOM 825 O VAL A 59 -1.849 -1.717 7.107 1.00 0.00 O ATOM 826 CB VAL A 59 -4.910 -3.213 6.426 1.00 0.00 C ATOM 827 CG1 VAL A 59 -6.074 -4.025 6.999 1.00 0.00 C ATOM 828 CG2 VAL A 59 -5.360 -1.802 6.045 1.00 0.00 C ATOM 0 H VAL A 59 -3.929 -1.272 8.280 1.00 0.00 H new ATOM 0 HA VAL A 59 -3.604 -4.184 7.782 1.00 0.00 H new ATOM 0 HB VAL A 59 -4.568 -3.711 5.519 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -6.894 -4.042 6.281 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -5.744 -5.045 7.196 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -6.414 -3.568 7.928 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -6.194 -1.862 5.346 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -5.675 -1.266 6.940 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -4.532 -1.270 5.577 1.00 0.00 H new ATOM 838 N GLU A 60 -1.983 -3.561 5.804 1.00 0.00 N ATOM 839 CA GLU A 60 -0.746 -3.285 5.094 1.00 0.00 C ATOM 840 C GLU A 60 -0.690 -4.088 3.793 1.00 0.00 C ATOM 841 O GLU A 60 -1.088 -5.251 3.760 1.00 0.00 O ATOM 842 CB GLU A 60 0.470 -3.582 5.974 1.00 0.00 C ATOM 843 CG GLU A 60 0.586 -2.564 7.110 1.00 0.00 C ATOM 844 CD GLU A 60 2.004 -2.543 7.685 1.00 0.00 C ATOM 845 OE1 GLU A 60 2.437 -3.612 8.167 1.00 0.00 O ATOM 846 OE2 GLU A 60 2.623 -1.458 7.629 1.00 0.00 O ATOM 0 H GLU A 60 -2.461 -4.413 5.512 1.00 0.00 H new ATOM 0 HA GLU A 60 -0.722 -2.224 4.845 1.00 0.00 H new ATOM 0 HB2 GLU A 60 0.387 -4.587 6.388 1.00 0.00 H new ATOM 0 HB3 GLU A 60 1.376 -3.561 5.368 1.00 0.00 H new ATOM 0 HG2 GLU A 60 0.324 -1.572 6.742 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -0.126 -2.810 7.898 1.00 0.00 H new ATOM 853 N ALA A 61 -0.193 -3.435 2.752 1.00 0.00 N ATOM 854 CA ALA A 61 -0.080 -4.073 1.452 1.00 0.00 C ATOM 855 C ALA A 61 1.136 -3.509 0.715 1.00 0.00 C ATOM 856 O ALA A 61 1.728 -2.523 1.152 1.00 0.00 O ATOM 857 CB ALA A 61 -1.380 -3.873 0.671 1.00 0.00 C ATOM 0 H ALA A 61 0.136 -2.470 2.783 1.00 0.00 H new ATOM 0 HA ALA A 61 0.072 -5.147 1.563 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -1.296 -4.352 -0.305 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -2.208 -4.318 1.223 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -1.564 -2.807 0.537 1.00 0.00 H new ATOM 863 N GLN A 62 1.472 -4.158 -0.390 1.00 0.00 N ATOM 864 CA GLN A 62 2.607 -3.733 -1.191 1.00 0.00 C ATOM 865 C GLN A 62 2.501 -4.305 -2.606 1.00 0.00 C ATOM 866 O GLN A 62 1.665 -5.168 -2.870 1.00 0.00 O ATOM 867 CB GLN A 62 3.927 -4.140 -0.533 1.00 0.00 C ATOM 868 CG GLN A 62 3.902 -5.614 -0.120 1.00 0.00 C ATOM 869 CD GLN A 62 4.746 -6.464 -1.071 1.00 0.00 C ATOM 870 OE1 GLN A 62 4.241 -7.177 -1.922 1.00 0.00 O ATOM 871 NE2 GLN A 62 6.057 -6.349 -0.880 1.00 0.00 N ATOM 0 H GLN A 62 0.978 -4.975 -0.749 1.00 0.00 H new ATOM 0 HA GLN A 62 2.593 -2.645 -1.257 1.00 0.00 H new ATOM 0 HB2 GLN A 62 4.751 -3.966 -1.225 1.00 0.00 H new ATOM 0 HB3 GLN A 62 4.109 -3.516 0.342 1.00 0.00 H new ATOM 0 HG2 GLN A 62 4.279 -5.717 0.897 1.00 0.00 H new ATOM 0 HG3 GLN A 62 2.874 -5.977 -0.117 1.00 0.00 H new ATOM 0 HE21 GLN A 62 6.414 -5.734 -0.149 1.00 0.00 H new ATOM 0 HE22 GLN A 62 6.706 -6.876 -1.465 1.00 0.00 H new ATOM 880 N THR A 63 3.361 -3.802 -3.479 1.00 0.00 N ATOM 881 CA THR A 63 3.375 -4.252 -4.861 1.00 0.00 C ATOM 882 C THR A 63 4.500 -5.264 -5.081 1.00 0.00 C ATOM 883 O THR A 63 5.232 -5.597 -4.149 1.00 0.00 O ATOM 884 CB THR A 63 3.484 -3.018 -5.759 1.00 0.00 C ATOM 885 OG1 THR A 63 4.618 -2.319 -5.254 1.00 0.00 O ATOM 886 CG2 THR A 63 2.324 -2.041 -5.555 1.00 0.00 C ATOM 0 H THR A 63 4.053 -3.087 -3.256 1.00 0.00 H new ATOM 0 HA THR A 63 2.454 -4.777 -5.115 1.00 0.00 H new ATOM 0 HB THR A 63 3.516 -3.331 -6.803 1.00 0.00 H new ATOM 0 HG1 THR A 63 5.266 -2.181 -5.976 1.00 0.00 H new ATOM 0 HG21 THR A 63 2.450 -1.183 -6.216 1.00 0.00 H new ATOM 0 HG22 THR A 63 1.383 -2.541 -5.784 1.00 0.00 H new ATOM 0 HG23 THR A 63 2.312 -1.702 -4.519 1.00 0.00 H new ATOM 894 N ALA A 64 4.604 -5.726 -6.319 1.00 0.00 N ATOM 895 CA ALA A 64 5.629 -6.694 -6.673 1.00 0.00 C ATOM 896 C ALA A 64 6.970 -5.976 -6.830 1.00 0.00 C ATOM 897 O ALA A 64 7.053 -4.947 -7.498 1.00 0.00 O ATOM 898 CB ALA A 64 5.212 -7.436 -7.944 1.00 0.00 C ATOM 0 H ALA A 64 3.996 -5.448 -7.089 1.00 0.00 H new ATOM 0 HA ALA A 64 5.744 -7.437 -5.884 1.00 0.00 H new ATOM 0 HB1 ALA A 64 5.980 -8.162 -8.210 1.00 0.00 H new ATOM 0 HB2 ALA A 64 4.268 -7.953 -7.770 1.00 0.00 H new ATOM 0 HB3 ALA A 64 5.090 -6.722 -8.759 1.00 0.00 H new ATOM 904 N LEU A 65 7.988 -6.547 -6.202 1.00 0.00 N ATOM 905 CA LEU A 65 9.322 -5.975 -6.264 1.00 0.00 C ATOM 906 C LEU A 65 9.640 -5.587 -7.710 1.00 0.00 C ATOM 907 O LEU A 65 9.203 -6.255 -8.645 1.00 0.00 O ATOM 908 CB LEU A 65 10.344 -6.930 -5.645 1.00 0.00 C ATOM 909 CG LEU A 65 10.384 -6.970 -4.116 1.00 0.00 C ATOM 910 CD1 LEU A 65 10.447 -5.558 -3.531 1.00 0.00 C ATOM 911 CD2 LEU A 65 9.204 -7.769 -3.558 1.00 0.00 C ATOM 0 H LEU A 65 7.915 -7.400 -5.648 1.00 0.00 H new ATOM 0 HA LEU A 65 9.373 -5.062 -5.670 1.00 0.00 H new ATOM 0 HB2 LEU A 65 10.139 -7.936 -6.010 1.00 0.00 H new ATOM 0 HB3 LEU A 65 11.335 -6.655 -6.008 1.00 0.00 H new ATOM 0 HG LEU A 65 11.295 -7.485 -3.812 1.00 0.00 H new ATOM 0 HD11 LEU A 65 10.474 -5.616 -2.443 1.00 0.00 H new ATOM 0 HD12 LEU A 65 11.345 -5.055 -3.890 1.00 0.00 H new ATOM 0 HD13 LEU A 65 9.567 -4.996 -3.842 1.00 0.00 H new ATOM 0 HD21 LEU A 65 9.256 -7.782 -2.469 1.00 0.00 H new ATOM 0 HD22 LEU A 65 8.269 -7.304 -3.871 1.00 0.00 H new ATOM 0 HD23 LEU A 65 9.245 -8.791 -3.936 1.00 0.00 H new ATOM 923 N LYS A 66 10.397 -4.509 -7.847 1.00 0.00 N ATOM 924 CA LYS A 66 10.779 -4.024 -9.162 1.00 0.00 C ATOM 925 C LYS A 66 12.208 -3.482 -9.107 1.00 0.00 C ATOM 926 O LYS A 66 12.634 -2.947 -8.084 1.00 0.00 O ATOM 927 CB LYS A 66 9.755 -3.010 -9.677 1.00 0.00 C ATOM 928 CG LYS A 66 8.488 -3.711 -10.170 1.00 0.00 C ATOM 929 CD LYS A 66 8.121 -3.251 -11.582 1.00 0.00 C ATOM 930 CE LYS A 66 6.697 -3.677 -11.945 1.00 0.00 C ATOM 931 NZ LYS A 66 6.478 -5.099 -11.599 1.00 0.00 N ATOM 0 H LYS A 66 10.757 -3.957 -7.068 1.00 0.00 H new ATOM 0 HA LYS A 66 10.776 -4.840 -9.884 1.00 0.00 H new ATOM 0 HB2 LYS A 66 9.501 -2.309 -8.882 1.00 0.00 H new ATOM 0 HB3 LYS A 66 10.191 -2.427 -10.488 1.00 0.00 H new ATOM 0 HG2 LYS A 66 8.639 -4.790 -10.163 1.00 0.00 H new ATOM 0 HG3 LYS A 66 7.663 -3.500 -9.489 1.00 0.00 H new ATOM 0 HD2 LYS A 66 8.208 -2.167 -11.649 1.00 0.00 H new ATOM 0 HD3 LYS A 66 8.825 -3.672 -12.300 1.00 0.00 H new ATOM 0 HE2 LYS A 66 5.978 -3.053 -11.415 1.00 0.00 H new ATOM 0 HE3 LYS A 66 6.526 -3.525 -13.011 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 5.618 -5.443 -12.071 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 7.294 -5.662 -11.913 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 6.368 -5.193 -10.569 1.00 0.00 H new ATOM 945 N LYS A 67 12.910 -3.638 -10.220 1.00 0.00 N ATOM 946 CA LYS A 67 14.283 -3.171 -10.311 1.00 0.00 C ATOM 947 C LYS A 67 14.323 -1.666 -10.041 1.00 0.00 C ATOM 948 O LYS A 67 13.486 -0.918 -10.544 1.00 0.00 O ATOM 949 CB LYS A 67 14.897 -3.572 -11.654 1.00 0.00 C ATOM 950 CG LYS A 67 14.980 -2.372 -12.599 1.00 0.00 C ATOM 951 CD LYS A 67 13.592 -1.981 -13.112 1.00 0.00 C ATOM 952 CE LYS A 67 13.167 -2.876 -14.278 1.00 0.00 C ATOM 953 NZ LYS A 67 11.939 -2.349 -14.915 1.00 0.00 N ATOM 0 H LYS A 67 12.553 -4.081 -11.067 1.00 0.00 H new ATOM 0 HA LYS A 67 14.900 -3.648 -9.550 1.00 0.00 H new ATOM 0 HB2 LYS A 67 15.894 -3.983 -11.494 1.00 0.00 H new ATOM 0 HB3 LYS A 67 14.297 -4.359 -12.112 1.00 0.00 H new ATOM 0 HG2 LYS A 67 15.431 -1.526 -12.080 1.00 0.00 H new ATOM 0 HG3 LYS A 67 15.629 -2.612 -13.441 1.00 0.00 H new ATOM 0 HD2 LYS A 67 12.865 -2.061 -12.303 1.00 0.00 H new ATOM 0 HD3 LYS A 67 13.599 -0.939 -13.432 1.00 0.00 H new ATOM 0 HE2 LYS A 67 13.970 -2.932 -15.013 1.00 0.00 H new ATOM 0 HE3 LYS A 67 12.992 -3.891 -13.920 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 11.664 -2.968 -15.704 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 11.170 -2.319 -14.215 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 12.118 -1.390 -15.274 1.00 0.00 H new ATOM 967 N ARG A 68 15.306 -1.265 -9.248 1.00 0.00 N ATOM 968 CA ARG A 68 15.467 0.137 -8.905 1.00 0.00 C ATOM 969 C ARG A 68 15.638 0.977 -10.172 1.00 0.00 C ATOM 970 O ARG A 68 16.506 0.694 -10.996 1.00 0.00 O ATOM 971 CB ARG A 68 16.679 0.347 -7.995 1.00 0.00 C ATOM 972 CG ARG A 68 16.612 1.706 -7.296 1.00 0.00 C ATOM 973 CD ARG A 68 17.945 2.448 -7.411 1.00 0.00 C ATOM 974 NE ARG A 68 18.127 2.950 -8.792 1.00 0.00 N ATOM 975 CZ ARG A 68 19.299 3.361 -9.293 1.00 0.00 C ATOM 976 NH1 ARG A 68 20.401 3.332 -8.531 1.00 0.00 N ATOM 977 NH2 ARG A 68 19.370 3.800 -10.557 1.00 0.00 N ATOM 0 H ARG A 68 15.999 -1.888 -8.833 1.00 0.00 H new ATOM 0 HA ARG A 68 14.569 0.453 -8.373 1.00 0.00 H new ATOM 0 HB2 ARG A 68 16.720 -0.447 -7.250 1.00 0.00 H new ATOM 0 HB3 ARG A 68 17.595 0.281 -8.582 1.00 0.00 H new ATOM 0 HG2 ARG A 68 15.818 2.307 -7.738 1.00 0.00 H new ATOM 0 HG3 ARG A 68 16.359 1.566 -6.245 1.00 0.00 H new ATOM 0 HD2 ARG A 68 17.970 3.280 -6.707 1.00 0.00 H new ATOM 0 HD3 ARG A 68 18.766 1.781 -7.146 1.00 0.00 H new ATOM 0 HE ARG A 68 17.309 2.985 -9.400 1.00 0.00 H new ATOM 0 HH11 ARG A 68 20.347 2.997 -7.569 1.00 0.00 H new ATOM 0 HH12 ARG A 68 21.293 3.645 -8.913 1.00 0.00 H new ATOM 0 HH21 ARG A 68 18.531 3.821 -11.137 1.00 0.00 H new ATOM 0 HH22 ARG A 68 20.263 4.113 -10.939 1.00 0.00 H new ATOM 991 N GLN A 69 14.796 1.994 -10.288 1.00 0.00 N ATOM 992 CA GLN A 69 14.844 2.877 -11.441 1.00 0.00 C ATOM 993 C GLN A 69 14.542 4.317 -11.020 1.00 0.00 C ATOM 994 O GLN A 69 13.831 4.545 -10.042 1.00 0.00 O ATOM 995 CB GLN A 69 13.876 2.410 -12.530 1.00 0.00 C ATOM 996 CG GLN A 69 14.527 1.354 -13.426 1.00 0.00 C ATOM 997 CD GLN A 69 15.730 1.935 -14.172 1.00 0.00 C ATOM 998 OE1 GLN A 69 15.791 3.113 -14.483 1.00 0.00 O ATOM 999 NE2 GLN A 69 16.681 1.045 -14.441 1.00 0.00 N ATOM 0 H GLN A 69 14.077 2.226 -9.603 1.00 0.00 H new ATOM 0 HA GLN A 69 15.851 2.844 -11.857 1.00 0.00 H new ATOM 0 HB2 GLN A 69 12.977 1.998 -12.071 1.00 0.00 H new ATOM 0 HB3 GLN A 69 13.564 3.262 -13.134 1.00 0.00 H new ATOM 0 HG2 GLN A 69 14.845 0.505 -12.821 1.00 0.00 H new ATOM 0 HG3 GLN A 69 13.796 0.979 -14.143 1.00 0.00 H new ATOM 0 HE21 GLN A 69 16.567 0.073 -14.152 1.00 0.00 H new ATOM 0 HE22 GLN A 69 17.525 1.334 -14.936 1.00 0.00 H new ATOM 1008 N LEU A 70 15.096 5.250 -11.779 1.00 0.00 N ATOM 1009 CA LEU A 70 14.895 6.661 -11.497 1.00 0.00 C ATOM 1010 C LEU A 70 13.395 6.958 -11.444 1.00 0.00 C ATOM 1011 O LEU A 70 12.970 7.912 -10.796 1.00 0.00 O ATOM 1012 CB LEU A 70 15.657 7.523 -12.505 1.00 0.00 C ATOM 1013 CG LEU A 70 17.000 8.082 -12.030 1.00 0.00 C ATOM 1014 CD1 LEU A 70 16.806 9.065 -10.873 1.00 0.00 C ATOM 1015 CD2 LEU A 70 17.967 6.954 -11.667 1.00 0.00 C ATOM 0 H LEU A 70 15.684 5.057 -12.589 1.00 0.00 H new ATOM 0 HA LEU A 70 15.305 6.916 -10.520 1.00 0.00 H new ATOM 0 HB2 LEU A 70 15.830 6.930 -13.403 1.00 0.00 H new ATOM 0 HB3 LEU A 70 15.020 8.359 -12.793 1.00 0.00 H new ATOM 0 HG LEU A 70 17.449 8.637 -12.854 1.00 0.00 H new ATOM 0 HD11 LEU A 70 17.776 9.448 -10.554 1.00 0.00 H new ATOM 0 HD12 LEU A 70 16.179 9.894 -11.201 1.00 0.00 H new ATOM 0 HD13 LEU A 70 16.325 8.554 -10.039 1.00 0.00 H new ATOM 0 HD21 LEU A 70 18.913 7.379 -11.333 1.00 0.00 H new ATOM 0 HD22 LEU A 70 17.538 6.350 -10.867 1.00 0.00 H new ATOM 0 HD23 LEU A 70 18.140 6.327 -12.542 1.00 0.00 H new ATOM 1027 N HIS A 71 12.635 6.121 -12.135 1.00 0.00 N ATOM 1028 CA HIS A 71 11.191 6.281 -12.175 1.00 0.00 C ATOM 1029 C HIS A 71 10.529 4.918 -12.385 1.00 0.00 C ATOM 1030 O HIS A 71 10.092 4.600 -13.490 1.00 0.00 O ATOM 1031 CB HIS A 71 10.788 7.306 -13.237 1.00 0.00 C ATOM 1032 CG HIS A 71 9.296 7.507 -13.361 1.00 0.00 C ATOM 1033 ND1 HIS A 71 8.665 7.709 -14.576 1.00 0.00 N ATOM 1034 CD2 HIS A 71 8.318 7.535 -12.411 1.00 0.00 C ATOM 1035 CE1 HIS A 71 7.367 7.851 -14.355 1.00 0.00 C ATOM 1036 NE2 HIS A 71 7.154 7.744 -13.012 1.00 0.00 N ATOM 0 H HIS A 71 12.992 5.330 -12.671 1.00 0.00 H new ATOM 0 HA HIS A 71 10.838 6.674 -11.221 1.00 0.00 H new ATOM 0 HB2 HIS A 71 11.255 8.262 -13.000 1.00 0.00 H new ATOM 0 HB3 HIS A 71 11.183 6.989 -14.202 1.00 0.00 H new ATOM 0 HD1 HIS A 71 9.122 7.743 -15.487 1.00 0.00 H new ATOM 0 HD2 HIS A 71 8.466 7.408 -11.349 1.00 0.00 H new ATOM 0 HE1 HIS A 71 6.610 8.022 -15.106 1.00 0.00 H new ATOM 1044 N THR A 72 10.476 4.150 -11.307 1.00 0.00 N ATOM 1045 CA THR A 72 9.874 2.828 -11.359 1.00 0.00 C ATOM 1046 C THR A 72 8.353 2.939 -11.476 1.00 0.00 C ATOM 1047 O THR A 72 7.756 3.891 -10.976 1.00 0.00 O ATOM 1048 CB THR A 72 10.334 2.050 -10.125 1.00 0.00 C ATOM 1049 OG1 THR A 72 11.753 2.012 -10.247 1.00 0.00 O ATOM 1050 CG2 THR A 72 9.916 0.579 -10.170 1.00 0.00 C ATOM 0 H THR A 72 10.840 4.417 -10.392 1.00 0.00 H new ATOM 0 HA THR A 72 10.197 2.281 -12.245 1.00 0.00 H new ATOM 0 HB THR A 72 9.924 2.516 -9.229 1.00 0.00 H new ATOM 0 HG1 THR A 72 12.134 1.526 -9.486 1.00 0.00 H new ATOM 0 HG21 THR A 72 10.268 0.073 -9.271 1.00 0.00 H new ATOM 0 HG22 THR A 72 8.829 0.511 -10.223 1.00 0.00 H new ATOM 0 HG23 THR A 72 10.353 0.103 -11.048 1.00 0.00 H new ATOM 1058 N THR A 73 7.769 1.952 -12.140 1.00 0.00 N ATOM 1059 CA THR A 73 6.329 1.927 -12.329 1.00 0.00 C ATOM 1060 C THR A 73 5.780 0.524 -12.058 1.00 0.00 C ATOM 1061 O THR A 73 6.477 -0.469 -12.261 1.00 0.00 O ATOM 1062 CB THR A 73 6.028 2.434 -13.741 1.00 0.00 C ATOM 1063 OG1 THR A 73 6.744 1.542 -14.591 1.00 0.00 O ATOM 1064 CG2 THR A 73 6.659 3.800 -14.019 1.00 0.00 C ATOM 0 H THR A 73 8.267 1.164 -12.554 1.00 0.00 H new ATOM 0 HA THR A 73 5.826 2.583 -11.618 1.00 0.00 H new ATOM 0 HB THR A 73 4.949 2.497 -13.881 1.00 0.00 H new ATOM 0 HG1 THR A 73 6.603 1.797 -15.527 1.00 0.00 H new ATOM 0 HG21 THR A 73 6.415 4.114 -15.034 1.00 0.00 H new ATOM 0 HG22 THR A 73 6.271 4.531 -13.310 1.00 0.00 H new ATOM 0 HG23 THR A 73 7.741 3.729 -13.911 1.00 0.00 H new ATOM 1072 N TRP A 74 4.535 0.488 -11.605 1.00 0.00 N ATOM 1073 CA TRP A 74 3.885 -0.776 -11.304 1.00 0.00 C ATOM 1074 C TRP A 74 2.599 -0.854 -12.129 1.00 0.00 C ATOM 1075 O TRP A 74 1.910 0.148 -12.307 1.00 0.00 O ATOM 1076 CB TRP A 74 3.640 -0.922 -9.801 1.00 0.00 C ATOM 1077 CG TRP A 74 4.913 -1.146 -8.982 1.00 0.00 C ATOM 1078 CD1 TRP A 74 5.471 -2.311 -8.626 1.00 0.00 C ATOM 1079 CD2 TRP A 74 5.769 -0.125 -8.427 1.00 0.00 C ATOM 1080 NE1 TRP A 74 6.620 -2.117 -7.886 1.00 0.00 N ATOM 1081 CE2 TRP A 74 6.807 -0.745 -7.761 1.00 0.00 C ATOM 1082 CE3 TRP A 74 5.670 1.276 -8.486 1.00 0.00 C ATOM 1083 CZ2 TRP A 74 7.824 -0.043 -7.104 1.00 0.00 C ATOM 1084 CZ3 TRP A 74 6.695 1.963 -7.824 1.00 0.00 C ATOM 1085 CH2 TRP A 74 7.746 1.354 -7.149 1.00 0.00 C ATOM 0 H TRP A 74 3.960 1.314 -11.439 1.00 0.00 H new ATOM 0 HA TRP A 74 4.526 -1.614 -11.577 1.00 0.00 H new ATOM 0 HB2 TRP A 74 3.139 -0.026 -9.436 1.00 0.00 H new ATOM 0 HB3 TRP A 74 2.961 -1.758 -9.633 1.00 0.00 H new ATOM 0 HD1 TRP A 74 5.072 -3.280 -8.886 1.00 0.00 H new ATOM 0 HE1 TRP A 74 7.221 -2.846 -7.502 1.00 0.00 H new ATOM 0 HE3 TRP A 74 4.867 1.782 -9.001 1.00 0.00 H new ATOM 0 HZ2 TRP A 74 8.626 -0.552 -6.590 1.00 0.00 H new ATOM 0 HZ3 TRP A 74 6.667 3.043 -7.839 1.00 0.00 H new ATOM 0 HH2 TRP A 74 8.499 1.956 -6.662 1.00 0.00 H new ATOM 1096 N GLU A 75 2.316 -2.055 -12.611 1.00 0.00 N ATOM 1097 CA GLU A 75 1.125 -2.278 -13.414 1.00 0.00 C ATOM 1098 C GLU A 75 -0.085 -2.524 -12.511 1.00 0.00 C ATOM 1099 O GLU A 75 -1.224 -2.304 -12.920 1.00 0.00 O ATOM 1100 CB GLU A 75 1.329 -3.441 -14.386 1.00 0.00 C ATOM 1101 CG GLU A 75 1.789 -2.937 -15.756 1.00 0.00 C ATOM 1102 CD GLU A 75 1.983 -4.100 -16.731 1.00 0.00 C ATOM 1103 OE1 GLU A 75 0.950 -4.630 -17.194 1.00 0.00 O ATOM 1104 OE2 GLU A 75 3.159 -4.431 -16.992 1.00 0.00 O ATOM 0 H GLU A 75 2.891 -2.884 -12.461 1.00 0.00 H new ATOM 0 HA GLU A 75 0.936 -1.382 -14.006 1.00 0.00 H new ATOM 0 HB2 GLU A 75 2.069 -4.132 -13.982 1.00 0.00 H new ATOM 0 HB3 GLU A 75 0.398 -3.998 -14.493 1.00 0.00 H new ATOM 0 HG2 GLU A 75 1.053 -2.240 -16.157 1.00 0.00 H new ATOM 0 HG3 GLU A 75 2.724 -2.387 -15.650 1.00 0.00 H new ATOM 1111 N GLU A 76 0.203 -2.976 -11.299 1.00 0.00 N ATOM 1112 CA GLU A 76 -0.848 -3.254 -10.335 1.00 0.00 C ATOM 1113 C GLU A 76 -0.942 -2.121 -9.311 1.00 0.00 C ATOM 1114 O GLU A 76 -0.334 -1.067 -9.489 1.00 0.00 O ATOM 1115 CB GLU A 76 -0.617 -4.600 -9.645 1.00 0.00 C ATOM 1116 CG GLU A 76 0.640 -4.560 -8.773 1.00 0.00 C ATOM 1117 CD GLU A 76 0.977 -5.952 -8.233 1.00 0.00 C ATOM 1118 OE1 GLU A 76 0.123 -6.499 -7.502 1.00 0.00 O ATOM 1119 OE2 GLU A 76 2.080 -6.437 -8.564 1.00 0.00 O ATOM 0 H GLU A 76 1.149 -3.157 -10.963 1.00 0.00 H new ATOM 0 HA GLU A 76 -1.797 -3.315 -10.868 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -1.482 -4.851 -9.031 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -0.519 -5.385 -10.395 1.00 0.00 H new ATOM 0 HG2 GLU A 76 1.479 -4.179 -9.355 1.00 0.00 H new ATOM 0 HG3 GLU A 76 0.489 -3.870 -7.942 1.00 0.00 H new ATOM 1126 N GLY A 77 -1.707 -2.378 -8.260 1.00 0.00 N ATOM 1127 CA GLY A 77 -1.888 -1.393 -7.207 1.00 0.00 C ATOM 1128 C GLY A 77 -2.067 -2.071 -5.847 1.00 0.00 C ATOM 1129 O GLY A 77 -2.022 -3.297 -5.750 1.00 0.00 O ATOM 0 H GLY A 77 -2.209 -3.254 -8.115 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -1.026 -0.727 -7.175 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -2.759 -0.776 -7.427 1.00 0.00 H new ATOM 1133 N LEU A 78 -2.265 -1.244 -4.831 1.00 0.00 N ATOM 1134 CA LEU A 78 -2.450 -1.749 -3.481 1.00 0.00 C ATOM 1135 C LEU A 78 -3.929 -1.646 -3.102 1.00 0.00 C ATOM 1136 O LEU A 78 -4.678 -0.884 -3.710 1.00 0.00 O ATOM 1137 CB LEU A 78 -1.514 -1.030 -2.507 1.00 0.00 C ATOM 1138 CG LEU A 78 -0.069 -0.848 -2.977 1.00 0.00 C ATOM 1139 CD1 LEU A 78 0.586 0.349 -2.284 1.00 0.00 C ATOM 1140 CD2 LEU A 78 0.736 -2.134 -2.781 1.00 0.00 C ATOM 0 H LEU A 78 -2.301 -0.228 -4.915 1.00 0.00 H new ATOM 0 HA LEU A 78 -2.179 -2.803 -3.428 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -1.932 -0.047 -2.292 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -1.503 -1.584 -1.568 1.00 0.00 H new ATOM 0 HG LEU A 78 -0.081 -0.634 -4.046 1.00 0.00 H new ATOM 0 HD11 LEU A 78 1.612 0.456 -2.636 1.00 0.00 H new ATOM 0 HD12 LEU A 78 0.026 1.255 -2.516 1.00 0.00 H new ATOM 0 HD13 LEU A 78 0.587 0.189 -1.206 1.00 0.00 H new ATOM 0 HD21 LEU A 78 1.759 -1.978 -3.123 1.00 0.00 H new ATOM 0 HD22 LEU A 78 0.743 -2.401 -1.724 1.00 0.00 H new ATOM 0 HD23 LEU A 78 0.280 -2.940 -3.356 1.00 0.00 H new ATOM 1152 N VAL A 79 -4.305 -2.425 -2.098 1.00 0.00 N ATOM 1153 CA VAL A 79 -5.680 -2.431 -1.630 1.00 0.00 C ATOM 1154 C VAL A 79 -5.708 -2.797 -0.145 1.00 0.00 C ATOM 1155 O VAL A 79 -5.095 -3.782 0.267 1.00 0.00 O ATOM 1156 CB VAL A 79 -6.523 -3.372 -2.494 1.00 0.00 C ATOM 1157 CG1 VAL A 79 -5.635 -4.357 -3.258 1.00 0.00 C ATOM 1158 CG2 VAL A 79 -7.560 -4.113 -1.647 1.00 0.00 C ATOM 0 H VAL A 79 -3.681 -3.056 -1.596 1.00 0.00 H new ATOM 0 HA VAL A 79 -6.121 -1.439 -1.728 1.00 0.00 H new ATOM 0 HB VAL A 79 -7.058 -2.766 -3.225 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -6.258 -5.014 -3.864 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -4.953 -3.806 -3.905 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -5.060 -4.954 -2.550 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -8.145 -4.775 -2.285 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -7.052 -4.702 -0.883 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -8.222 -3.391 -1.169 1.00 0.00 H new ATOM 1168 N LEU A 80 -6.424 -1.986 0.619 1.00 0.00 N ATOM 1169 CA LEU A 80 -6.540 -2.212 2.050 1.00 0.00 C ATOM 1170 C LEU A 80 -8.019 -2.258 2.437 1.00 0.00 C ATOM 1171 O LEU A 80 -8.831 -1.513 1.890 1.00 0.00 O ATOM 1172 CB LEU A 80 -5.733 -1.168 2.824 1.00 0.00 C ATOM 1173 CG LEU A 80 -4.211 -1.318 2.767 1.00 0.00 C ATOM 1174 CD1 LEU A 80 -3.801 -2.788 2.882 1.00 0.00 C ATOM 1175 CD2 LEU A 80 -3.642 -0.660 1.509 1.00 0.00 C ATOM 0 H LEU A 80 -6.930 -1.170 0.274 1.00 0.00 H new ATOM 0 HA LEU A 80 -6.110 -3.177 2.319 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -5.995 -0.181 2.444 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -6.042 -1.200 3.869 1.00 0.00 H new ATOM 0 HG LEU A 80 -3.783 -0.797 3.623 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -2.715 -2.867 2.839 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -4.157 -3.192 3.830 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -4.239 -3.353 2.059 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -2.559 -0.781 1.493 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -4.073 -1.131 0.625 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -3.888 0.402 1.511 1.00 0.00 H new ATOM 1187 N PRO A 81 -8.333 -3.163 3.402 1.00 0.00 N ATOM 1188 CA PRO A 81 -9.700 -3.315 3.869 1.00 0.00 C ATOM 1189 C PRO A 81 -10.102 -2.152 4.780 1.00 0.00 C ATOM 1190 O PRO A 81 -9.422 -1.867 5.765 1.00 0.00 O ATOM 1191 CB PRO A 81 -9.727 -4.660 4.577 1.00 0.00 C ATOM 1192 CG PRO A 81 -8.277 -4.997 4.886 1.00 0.00 C ATOM 1193 CD PRO A 81 -7.398 -4.061 4.073 1.00 0.00 C ATOM 0 HA PRO A 81 -10.426 -3.292 3.057 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -10.319 -4.609 5.491 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -10.180 -5.425 3.946 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -8.076 -4.880 5.951 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -8.064 -6.036 4.634 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -6.709 -3.509 4.713 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -6.793 -4.612 3.353 1.00 0.00 H new ATOM 1201 N LEU A 82 -11.204 -1.513 4.418 1.00 0.00 N ATOM 1202 CA LEU A 82 -11.704 -0.388 5.189 1.00 0.00 C ATOM 1203 C LEU A 82 -13.211 -0.251 4.966 1.00 0.00 C ATOM 1204 O LEU A 82 -13.698 -0.448 3.854 1.00 0.00 O ATOM 1205 CB LEU A 82 -10.916 0.882 4.858 1.00 0.00 C ATOM 1206 CG LEU A 82 -11.426 2.174 5.499 1.00 0.00 C ATOM 1207 CD1 LEU A 82 -11.122 2.200 6.998 1.00 0.00 C ATOM 1208 CD2 LEU A 82 -10.865 3.402 4.778 1.00 0.00 C ATOM 0 H LEU A 82 -11.765 -1.753 3.601 1.00 0.00 H new ATOM 0 HA LEU A 82 -11.553 -0.561 6.255 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -9.880 0.733 5.163 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -10.914 1.013 3.776 1.00 0.00 H new ATOM 0 HG LEU A 82 -12.510 2.204 5.391 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -11.495 3.129 7.429 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -11.609 1.354 7.483 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -10.045 2.136 7.152 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -11.243 4.307 5.253 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -9.776 3.391 4.833 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -11.176 3.384 3.733 1.00 0.00 H new ATOM 1220 N ALA A 83 -13.908 0.085 6.041 1.00 0.00 N ATOM 1221 CA ALA A 83 -15.351 0.250 5.977 1.00 0.00 C ATOM 1222 C ALA A 83 -15.679 1.713 5.675 1.00 0.00 C ATOM 1223 O ALA A 83 -15.021 2.619 6.184 1.00 0.00 O ATOM 1224 CB ALA A 83 -15.979 -0.230 7.287 1.00 0.00 C ATOM 0 H ALA A 83 -13.501 0.248 6.962 1.00 0.00 H new ATOM 0 HA ALA A 83 -15.771 -0.355 5.174 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -17.061 -0.106 7.239 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -15.741 -1.283 7.441 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -15.583 0.356 8.116 1.00 0.00 H new ATOM 1230 N GLU A 84 -16.697 1.899 4.847 1.00 0.00 N ATOM 1231 CA GLU A 84 -17.121 3.237 4.471 1.00 0.00 C ATOM 1232 C GLU A 84 -17.399 4.077 5.720 1.00 0.00 C ATOM 1233 O GLU A 84 -17.412 5.305 5.657 1.00 0.00 O ATOM 1234 CB GLU A 84 -18.348 3.188 3.559 1.00 0.00 C ATOM 1235 CG GLU A 84 -18.525 4.507 2.806 1.00 0.00 C ATOM 1236 CD GLU A 84 -20.002 4.899 2.725 1.00 0.00 C ATOM 1237 OE1 GLU A 84 -20.454 5.601 3.655 1.00 0.00 O ATOM 1238 OE2 GLU A 84 -20.645 4.488 1.736 1.00 0.00 O ATOM 0 H GLU A 84 -17.240 1.145 4.426 1.00 0.00 H new ATOM 0 HA GLU A 84 -16.313 3.709 3.912 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -18.243 2.370 2.847 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -19.239 2.982 4.153 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -17.963 5.295 3.308 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -18.114 4.414 1.801 1.00 0.00 H new ATOM 1245 N GLU A 85 -17.615 3.380 6.826 1.00 0.00 N ATOM 1246 CA GLU A 85 -17.892 4.046 8.088 1.00 0.00 C ATOM 1247 C GLU A 85 -16.585 4.427 8.785 1.00 0.00 C ATOM 1248 O GLU A 85 -16.585 5.231 9.716 1.00 0.00 O ATOM 1249 CB GLU A 85 -18.761 3.168 8.991 1.00 0.00 C ATOM 1250 CG GLU A 85 -17.912 2.129 9.726 1.00 0.00 C ATOM 1251 CD GLU A 85 -18.637 0.784 9.803 1.00 0.00 C ATOM 1252 OE1 GLU A 85 -19.701 0.750 10.458 1.00 0.00 O ATOM 1253 OE2 GLU A 85 -18.111 -0.180 9.206 1.00 0.00 O ATOM 0 H GLU A 85 -17.604 2.361 6.875 1.00 0.00 H new ATOM 0 HA GLU A 85 -18.449 4.960 7.881 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -19.286 3.792 9.715 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -19.521 2.665 8.393 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -16.959 2.004 9.212 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -17.688 2.483 10.732 1.00 0.00 H new ATOM 1260 N GLU A 86 -15.502 3.830 8.309 1.00 0.00 N ATOM 1261 CA GLU A 86 -14.191 4.097 8.875 1.00 0.00 C ATOM 1262 C GLU A 86 -13.363 4.956 7.917 1.00 0.00 C ATOM 1263 O GLU A 86 -12.197 5.242 8.183 1.00 0.00 O ATOM 1264 CB GLU A 86 -13.463 2.794 9.211 1.00 0.00 C ATOM 1265 CG GLU A 86 -14.375 1.841 9.986 1.00 0.00 C ATOM 1266 CD GLU A 86 -13.580 1.037 11.017 1.00 0.00 C ATOM 1267 OE1 GLU A 86 -12.870 0.103 10.583 1.00 0.00 O ATOM 1268 OE2 GLU A 86 -13.699 1.373 12.214 1.00 0.00 O ATOM 0 H GLU A 86 -15.506 3.162 7.538 1.00 0.00 H new ATOM 0 HA GLU A 86 -14.325 4.650 9.804 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -13.126 2.314 8.292 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -12.573 3.012 9.801 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -15.158 2.409 10.488 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -14.870 1.161 9.292 1.00 0.00 H new ATOM 1275 N LEU A 87 -13.999 5.343 6.821 1.00 0.00 N ATOM 1276 CA LEU A 87 -13.336 6.163 5.821 1.00 0.00 C ATOM 1277 C LEU A 87 -12.800 7.433 6.484 1.00 0.00 C ATOM 1278 O LEU A 87 -11.623 7.763 6.342 1.00 0.00 O ATOM 1279 CB LEU A 87 -14.273 6.433 4.642 1.00 0.00 C ATOM 1280 CG LEU A 87 -14.257 5.391 3.521 1.00 0.00 C ATOM 1281 CD1 LEU A 87 -15.422 5.610 2.554 1.00 0.00 C ATOM 1282 CD2 LEU A 87 -12.908 5.382 2.800 1.00 0.00 C ATOM 0 H LEU A 87 -14.966 5.104 6.603 1.00 0.00 H new ATOM 0 HA LEU A 87 -12.479 5.635 5.402 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -15.291 6.512 5.023 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -14.017 7.402 4.214 1.00 0.00 H new ATOM 0 HG LEU A 87 -14.389 4.406 3.968 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -15.388 4.857 1.767 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -16.365 5.527 3.095 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -15.345 6.602 2.110 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -12.924 4.633 2.008 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -12.721 6.364 2.366 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -12.117 5.142 3.511 1.00 0.00 H new ATOM 1294 N PRO A 88 -13.712 8.131 7.212 1.00 0.00 N ATOM 1295 CA PRO A 88 -13.343 9.358 7.897 1.00 0.00 C ATOM 1296 C PRO A 88 -12.519 9.059 9.151 1.00 0.00 C ATOM 1297 O PRO A 88 -11.877 9.951 9.704 1.00 0.00 O ATOM 1298 CB PRO A 88 -14.662 10.049 8.204 1.00 0.00 C ATOM 1299 CG PRO A 88 -15.731 8.974 8.097 1.00 0.00 C ATOM 1300 CD PRO A 88 -15.114 7.771 7.402 1.00 0.00 C ATOM 0 HA PRO A 88 -12.703 10.001 7.293 1.00 0.00 H new ATOM 0 HB2 PRO A 88 -14.649 10.489 9.201 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -14.851 10.859 7.500 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -16.095 8.698 9.087 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -16.588 9.343 7.533 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -15.213 6.870 8.008 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -15.604 7.570 6.449 1.00 0.00 H new ATOM 1308 N THR A 89 -12.564 7.801 9.564 1.00 0.00 N ATOM 1309 CA THR A 89 -11.830 7.373 10.743 1.00 0.00 C ATOM 1310 C THR A 89 -10.707 6.411 10.352 1.00 0.00 C ATOM 1311 O THR A 89 -10.399 5.477 11.091 1.00 0.00 O ATOM 1312 CB THR A 89 -12.831 6.770 11.731 1.00 0.00 C ATOM 1313 OG1 THR A 89 -12.992 5.427 11.284 1.00 0.00 O ATOM 1314 CG2 THR A 89 -14.228 7.379 11.594 1.00 0.00 C ATOM 0 H THR A 89 -13.098 7.064 9.103 1.00 0.00 H new ATOM 0 HA THR A 89 -11.339 8.215 11.230 1.00 0.00 H new ATOM 0 HB THR A 89 -12.470 6.916 12.749 1.00 0.00 H new ATOM 0 HG1 THR A 89 -12.164 4.928 11.443 1.00 0.00 H new ATOM 0 HG21 THR A 89 -14.899 6.916 12.317 1.00 0.00 H new ATOM 0 HG22 THR A 89 -14.177 8.452 11.781 1.00 0.00 H new ATOM 0 HG23 THR A 89 -14.604 7.203 10.586 1.00 0.00 H new ATOM 1322 N ALA A 90 -10.125 6.672 9.190 1.00 0.00 N ATOM 1323 CA ALA A 90 -9.043 5.840 8.692 1.00 0.00 C ATOM 1324 C ALA A 90 -8.083 6.700 7.867 1.00 0.00 C ATOM 1325 O ALA A 90 -8.477 7.732 7.327 1.00 0.00 O ATOM 1326 CB ALA A 90 -9.623 4.677 7.885 1.00 0.00 C ATOM 0 H ALA A 90 -10.383 7.448 8.580 1.00 0.00 H new ATOM 0 HA ALA A 90 -8.476 5.412 9.519 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -8.811 4.053 7.511 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -10.275 4.081 8.523 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -10.197 5.068 7.045 1.00 0.00 H new ATOM 1332 N THR A 91 -6.842 6.243 7.797 1.00 0.00 N ATOM 1333 CA THR A 91 -5.822 6.957 7.048 1.00 0.00 C ATOM 1334 C THR A 91 -4.898 5.971 6.331 1.00 0.00 C ATOM 1335 O THR A 91 -4.503 4.956 6.903 1.00 0.00 O ATOM 1336 CB THR A 91 -5.086 7.885 8.017 1.00 0.00 C ATOM 1337 OG1 THR A 91 -6.095 8.298 8.935 1.00 0.00 O ATOM 1338 CG2 THR A 91 -4.633 9.186 7.351 1.00 0.00 C ATOM 0 H THR A 91 -6.519 5.386 8.247 1.00 0.00 H new ATOM 0 HA THR A 91 -6.265 7.569 6.262 1.00 0.00 H new ATOM 0 HB THR A 91 -4.220 7.367 8.429 1.00 0.00 H new ATOM 0 HG1 THR A 91 -5.704 8.902 9.601 1.00 0.00 H new ATOM 0 HG21 THR A 91 -4.116 9.808 8.082 1.00 0.00 H new ATOM 0 HG22 THR A 91 -3.957 8.957 6.527 1.00 0.00 H new ATOM 0 HG23 THR A 91 -5.502 9.721 6.969 1.00 0.00 H new ATOM 1346 N LEU A 92 -4.580 6.304 5.088 1.00 0.00 N ATOM 1347 CA LEU A 92 -3.709 5.461 4.287 1.00 0.00 C ATOM 1348 C LEU A 92 -2.321 6.099 4.207 1.00 0.00 C ATOM 1349 O LEU A 92 -2.175 7.217 3.716 1.00 0.00 O ATOM 1350 CB LEU A 92 -4.340 5.186 2.920 1.00 0.00 C ATOM 1351 CG LEU A 92 -3.433 4.516 1.886 1.00 0.00 C ATOM 1352 CD1 LEU A 92 -2.772 5.557 0.980 1.00 0.00 C ATOM 1353 CD2 LEU A 92 -2.403 3.610 2.564 1.00 0.00 C ATOM 0 H LEU A 92 -4.910 7.146 4.616 1.00 0.00 H new ATOM 0 HA LEU A 92 -3.584 4.486 4.757 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -5.217 4.556 3.067 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -4.692 6.132 2.507 1.00 0.00 H new ATOM 0 HG LEU A 92 -4.051 3.881 1.251 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -2.133 5.054 0.254 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -3.541 6.123 0.455 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -2.171 6.236 1.584 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -1.771 3.146 1.806 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -1.785 4.203 3.238 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -2.918 2.835 3.131 1.00 0.00 H new ATOM 1365 N THR A 93 -1.336 5.360 4.696 1.00 0.00 N ATOM 1366 CA THR A 93 0.036 5.839 4.686 1.00 0.00 C ATOM 1367 C THR A 93 0.893 4.981 3.754 1.00 0.00 C ATOM 1368 O THR A 93 1.014 3.773 3.953 1.00 0.00 O ATOM 1369 CB THR A 93 0.540 5.859 6.130 1.00 0.00 C ATOM 1370 OG1 THR A 93 0.106 7.120 6.632 1.00 0.00 O ATOM 1371 CG2 THR A 93 2.066 5.929 6.216 1.00 0.00 C ATOM 0 H THR A 93 -1.461 4.433 5.102 1.00 0.00 H new ATOM 0 HA THR A 93 0.099 6.853 4.291 1.00 0.00 H new ATOM 0 HB THR A 93 0.187 4.968 6.650 1.00 0.00 H new ATOM 0 HG1 THR A 93 0.389 7.216 7.565 1.00 0.00 H new ATOM 0 HG21 THR A 93 2.371 5.941 7.262 1.00 0.00 H new ATOM 0 HG22 THR A 93 2.499 5.059 5.722 1.00 0.00 H new ATOM 0 HG23 THR A 93 2.417 6.837 5.725 1.00 0.00 H new ATOM 1379 N LEU A 94 1.467 5.638 2.757 1.00 0.00 N ATOM 1380 CA LEU A 94 2.311 4.951 1.794 1.00 0.00 C ATOM 1381 C LEU A 94 3.724 4.816 2.365 1.00 0.00 C ATOM 1382 O LEU A 94 4.155 5.643 3.166 1.00 0.00 O ATOM 1383 CB LEU A 94 2.260 5.656 0.438 1.00 0.00 C ATOM 1384 CG LEU A 94 1.291 5.066 -0.589 1.00 0.00 C ATOM 1385 CD1 LEU A 94 0.086 4.423 0.100 1.00 0.00 C ATOM 1386 CD2 LEU A 94 0.869 6.121 -1.614 1.00 0.00 C ATOM 0 H LEU A 94 1.364 6.640 2.595 1.00 0.00 H new ATOM 0 HA LEU A 94 1.941 3.941 1.616 1.00 0.00 H new ATOM 0 HB2 LEU A 94 1.992 6.700 0.603 1.00 0.00 H new ATOM 0 HB3 LEU A 94 3.262 5.648 0.009 1.00 0.00 H new ATOM 0 HG LEU A 94 1.810 4.277 -1.133 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -0.587 4.012 -0.653 1.00 0.00 H new ATOM 0 HD12 LEU A 94 0.427 3.624 0.758 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -0.442 5.175 0.686 1.00 0.00 H new ATOM 0 HD21 LEU A 94 0.181 5.676 -2.332 1.00 0.00 H new ATOM 0 HD22 LEU A 94 0.376 6.948 -1.103 1.00 0.00 H new ATOM 0 HD23 LEU A 94 1.750 6.492 -2.138 1.00 0.00 H new ATOM 1398 N THR A 95 4.405 3.766 1.930 1.00 0.00 N ATOM 1399 CA THR A 95 5.761 3.513 2.387 1.00 0.00 C ATOM 1400 C THR A 95 6.571 2.813 1.294 1.00 0.00 C ATOM 1401 O THR A 95 6.108 1.841 0.699 1.00 0.00 O ATOM 1402 CB THR A 95 5.679 2.712 3.688 1.00 0.00 C ATOM 1403 OG1 THR A 95 4.370 2.150 3.668 1.00 0.00 O ATOM 1404 CG2 THR A 95 5.680 3.608 4.928 1.00 0.00 C ATOM 0 H THR A 95 4.043 3.081 1.266 1.00 0.00 H new ATOM 0 HA THR A 95 6.289 4.444 2.593 1.00 0.00 H new ATOM 0 HB THR A 95 6.518 2.018 3.740 1.00 0.00 H new ATOM 0 HG1 THR A 95 4.238 1.657 2.831 1.00 0.00 H new ATOM 0 HG21 THR A 95 5.620 2.990 5.824 1.00 0.00 H new ATOM 0 HG22 THR A 95 6.598 4.194 4.952 1.00 0.00 H new ATOM 0 HG23 THR A 95 4.822 4.279 4.893 1.00 0.00 H new ATOM 1412 N LEU A 96 7.766 3.335 1.062 1.00 0.00 N ATOM 1413 CA LEU A 96 8.645 2.773 0.050 1.00 0.00 C ATOM 1414 C LEU A 96 9.795 2.032 0.735 1.00 0.00 C ATOM 1415 O LEU A 96 10.781 2.647 1.139 1.00 0.00 O ATOM 1416 CB LEU A 96 9.106 3.860 -0.923 1.00 0.00 C ATOM 1417 CG LEU A 96 10.258 3.480 -1.856 1.00 0.00 C ATOM 1418 CD1 LEU A 96 9.822 2.405 -2.855 1.00 0.00 C ATOM 1419 CD2 LEU A 96 10.827 4.716 -2.556 1.00 0.00 C ATOM 0 H LEU A 96 8.147 4.141 1.557 1.00 0.00 H new ATOM 0 HA LEU A 96 8.110 2.042 -0.556 1.00 0.00 H new ATOM 0 HB2 LEU A 96 8.254 4.159 -1.533 1.00 0.00 H new ATOM 0 HB3 LEU A 96 9.406 4.734 -0.345 1.00 0.00 H new ATOM 0 HG LEU A 96 11.060 3.054 -1.253 1.00 0.00 H new ATOM 0 HD11 LEU A 96 10.659 2.153 -3.506 1.00 0.00 H new ATOM 0 HD12 LEU A 96 9.502 1.514 -2.314 1.00 0.00 H new ATOM 0 HD13 LEU A 96 8.995 2.781 -3.457 1.00 0.00 H new ATOM 0 HD21 LEU A 96 11.644 4.418 -3.213 1.00 0.00 H new ATOM 0 HD22 LEU A 96 10.044 5.194 -3.145 1.00 0.00 H new ATOM 0 HD23 LEU A 96 11.199 5.418 -1.810 1.00 0.00 H new ATOM 1431 N ARG A 97 9.631 0.722 0.843 1.00 0.00 N ATOM 1432 CA ARG A 97 10.644 -0.109 1.472 1.00 0.00 C ATOM 1433 C ARG A 97 11.624 -0.637 0.422 1.00 0.00 C ATOM 1434 O ARG A 97 11.329 -0.619 -0.772 1.00 0.00 O ATOM 1435 CB ARG A 97 10.008 -1.291 2.206 1.00 0.00 C ATOM 1436 CG ARG A 97 9.403 -0.847 3.540 1.00 0.00 C ATOM 1437 CD ARG A 97 8.074 -1.559 3.803 1.00 0.00 C ATOM 1438 NE ARG A 97 8.305 -3.009 3.989 1.00 0.00 N ATOM 1439 CZ ARG A 97 8.676 -3.567 5.149 1.00 0.00 C ATOM 1440 NH1 ARG A 97 8.862 -2.801 6.233 1.00 0.00 N ATOM 1441 NH2 ARG A 97 8.862 -4.892 5.226 1.00 0.00 N ATOM 0 H ARG A 97 8.812 0.215 0.506 1.00 0.00 H new ATOM 0 HA ARG A 97 11.178 0.508 2.195 1.00 0.00 H new ATOM 0 HB2 ARG A 97 9.234 -1.737 1.582 1.00 0.00 H new ATOM 0 HB3 ARG A 97 10.759 -2.061 2.382 1.00 0.00 H new ATOM 0 HG2 ARG A 97 10.101 -1.061 4.349 1.00 0.00 H new ATOM 0 HG3 ARG A 97 9.246 0.232 3.531 1.00 0.00 H new ATOM 0 HD2 ARG A 97 7.598 -1.142 4.690 1.00 0.00 H new ATOM 0 HD3 ARG A 97 7.393 -1.395 2.968 1.00 0.00 H new ATOM 0 HE ARG A 97 8.174 -3.621 3.184 1.00 0.00 H new ATOM 0 HH11 ARG A 97 8.721 -1.792 6.175 1.00 0.00 H new ATOM 0 HH12 ARG A 97 9.144 -3.227 7.116 1.00 0.00 H new ATOM 0 HH21 ARG A 97 8.721 -5.476 4.401 1.00 0.00 H new ATOM 0 HH22 ARG A 97 9.145 -5.317 6.109 1.00 0.00 H new ATOM 1455 N THR A 98 12.769 -1.095 0.906 1.00 0.00 N ATOM 1456 CA THR A 98 13.794 -1.627 0.024 1.00 0.00 C ATOM 1457 C THR A 98 14.136 -3.067 0.412 1.00 0.00 C ATOM 1458 O THR A 98 14.352 -3.364 1.586 1.00 0.00 O ATOM 1459 CB THR A 98 14.997 -0.683 0.073 1.00 0.00 C ATOM 1460 OG1 THR A 98 15.184 -0.431 1.463 1.00 0.00 O ATOM 1461 CG2 THR A 98 14.685 0.694 -0.516 1.00 0.00 C ATOM 0 H THR A 98 13.010 -1.109 1.897 1.00 0.00 H new ATOM 0 HA THR A 98 13.442 -1.675 -1.007 1.00 0.00 H new ATOM 0 HB THR A 98 15.831 -1.129 -0.469 1.00 0.00 H new ATOM 0 HG1 THR A 98 15.053 -1.261 1.967 1.00 0.00 H new ATOM 0 HG21 THR A 98 15.572 1.325 -0.457 1.00 0.00 H new ATOM 0 HG22 THR A 98 14.387 0.585 -1.559 1.00 0.00 H new ATOM 0 HG23 THR A 98 13.874 1.155 0.047 1.00 0.00 H new ATOM 1469 N CYS A 99 14.175 -3.925 -0.598 1.00 0.00 N ATOM 1470 CA CYS A 99 14.487 -5.327 -0.377 1.00 0.00 C ATOM 1471 C CYS A 99 15.996 -5.455 -0.162 1.00 0.00 C ATOM 1472 O CYS A 99 16.778 -4.737 -0.783 1.00 0.00 O ATOM 1473 CB CYS A 99 13.998 -6.203 -1.532 1.00 0.00 C ATOM 1474 SG CYS A 99 13.649 -7.896 -0.929 1.00 0.00 S ATOM 0 H CYS A 99 13.996 -3.676 -1.571 1.00 0.00 H new ATOM 0 HA CYS A 99 13.964 -5.684 0.510 1.00 0.00 H new ATOM 0 HB2 CYS A 99 13.098 -5.772 -1.971 1.00 0.00 H new ATOM 0 HB3 CYS A 99 14.752 -6.236 -2.319 1.00 0.00 H new ATOM 0 HG CYS A 99 13.232 -8.631 -1.917 1.00 0.00 H new ATOM 1480 N ASP A 100 16.360 -6.375 0.719 1.00 0.00 N ATOM 1481 CA ASP A 100 17.762 -6.607 1.023 1.00 0.00 C ATOM 1482 C ASP A 100 17.877 -7.740 2.045 1.00 0.00 C ATOM 1483 O ASP A 100 16.902 -8.079 2.714 1.00 0.00 O ATOM 1484 CB ASP A 100 18.408 -5.358 1.627 1.00 0.00 C ATOM 1485 CG ASP A 100 19.898 -5.190 1.323 1.00 0.00 C ATOM 1486 OD1 ASP A 100 20.424 -6.042 0.575 1.00 0.00 O ATOM 1487 OD2 ASP A 100 20.477 -4.214 1.846 1.00 0.00 O ATOM 0 H ASP A 100 15.708 -6.969 1.232 1.00 0.00 H new ATOM 0 HA ASP A 100 18.271 -6.863 0.094 1.00 0.00 H new ATOM 0 HB2 ASP A 100 17.877 -4.479 1.261 1.00 0.00 H new ATOM 0 HB3 ASP A 100 18.274 -5.385 2.708 1.00 0.00 H new ATOM 1492 N ARG A 101 19.077 -8.294 2.134 1.00 0.00 N ATOM 1493 CA ARG A 101 19.332 -9.382 3.063 1.00 0.00 C ATOM 1494 C ARG A 101 18.625 -9.120 4.394 1.00 0.00 C ATOM 1495 O ARG A 101 17.732 -9.870 4.784 1.00 0.00 O ATOM 1496 CB ARG A 101 20.832 -9.551 3.314 1.00 0.00 C ATOM 1497 CG ARG A 101 21.101 -10.733 4.248 1.00 0.00 C ATOM 1498 CD ARG A 101 21.770 -11.885 3.495 1.00 0.00 C ATOM 1499 NE ARG A 101 20.741 -12.811 2.971 1.00 0.00 N ATOM 1500 CZ ARG A 101 21.011 -13.882 2.212 1.00 0.00 C ATOM 1501 NH1 ARG A 101 22.278 -14.168 1.884 1.00 0.00 N ATOM 1502 NH2 ARG A 101 20.014 -14.667 1.781 1.00 0.00 N ATOM 0 H ARG A 101 19.884 -8.010 1.578 1.00 0.00 H new ATOM 0 HA ARG A 101 18.944 -10.298 2.616 1.00 0.00 H new ATOM 0 HB2 ARG A 101 21.348 -9.707 2.366 1.00 0.00 H new ATOM 0 HB3 ARG A 101 21.237 -8.638 3.751 1.00 0.00 H new ATOM 0 HG2 ARG A 101 21.739 -10.413 5.071 1.00 0.00 H new ATOM 0 HG3 ARG A 101 20.164 -11.076 4.686 1.00 0.00 H new ATOM 0 HD2 ARG A 101 22.371 -11.494 2.674 1.00 0.00 H new ATOM 0 HD3 ARG A 101 22.448 -12.420 4.160 1.00 0.00 H new ATOM 0 HE ARG A 101 19.766 -12.622 3.202 1.00 0.00 H new ATOM 0 HH11 ARG A 101 23.037 -13.571 2.212 1.00 0.00 H new ATOM 0 HH12 ARG A 101 22.484 -14.983 1.306 1.00 0.00 H new ATOM 0 HH21 ARG A 101 19.049 -14.449 2.031 1.00 0.00 H new ATOM 0 HH22 ARG A 101 20.220 -15.482 1.203 1.00 0.00 H new ATOM 1516 N PHE A 102 19.051 -8.053 5.054 1.00 0.00 N ATOM 1517 CA PHE A 102 18.470 -7.683 6.333 1.00 0.00 C ATOM 1518 C PHE A 102 17.605 -6.428 6.200 1.00 0.00 C ATOM 1519 O PHE A 102 16.492 -6.378 6.721 1.00 0.00 O ATOM 1520 CB PHE A 102 19.632 -7.388 7.284 1.00 0.00 C ATOM 1521 CG PHE A 102 20.459 -8.620 7.655 1.00 0.00 C ATOM 1522 CD1 PHE A 102 19.940 -9.564 8.486 1.00 0.00 C ATOM 1523 CD2 PHE A 102 21.715 -8.772 7.155 1.00 0.00 C ATOM 1524 CE1 PHE A 102 20.708 -10.707 8.830 1.00 0.00 C ATOM 1525 CE2 PHE A 102 22.483 -9.915 7.500 1.00 0.00 C ATOM 1526 CZ PHE A 102 21.963 -10.859 8.330 1.00 0.00 C ATOM 0 H PHE A 102 19.792 -7.433 4.727 1.00 0.00 H new ATOM 0 HA PHE A 102 17.837 -8.491 6.701 1.00 0.00 H new ATOM 0 HB2 PHE A 102 20.287 -6.649 6.823 1.00 0.00 H new ATOM 0 HB3 PHE A 102 19.237 -6.940 8.196 1.00 0.00 H new ATOM 0 HD1 PHE A 102 18.943 -9.444 8.884 1.00 0.00 H new ATOM 0 HD2 PHE A 102 22.128 -8.023 6.496 1.00 0.00 H new ATOM 0 HE1 PHE A 102 20.295 -11.456 9.489 1.00 0.00 H new ATOM 0 HE2 PHE A 102 23.480 -10.035 7.103 1.00 0.00 H new ATOM 0 HZ PHE A 102 22.547 -11.729 8.592 1.00 0.00 H new ATOM 1536 N SER A 103 18.150 -5.445 5.498 1.00 0.00 N ATOM 1537 CA SER A 103 17.442 -4.193 5.289 1.00 0.00 C ATOM 1538 C SER A 103 17.497 -3.342 6.559 1.00 0.00 C ATOM 1539 O SER A 103 16.484 -2.788 6.984 1.00 0.00 O ATOM 1540 CB SER A 103 15.989 -4.443 4.881 1.00 0.00 C ATOM 1541 OG SER A 103 15.419 -3.318 4.218 1.00 0.00 O ATOM 0 H SER A 103 19.073 -5.490 5.067 1.00 0.00 H new ATOM 0 HA SER A 103 17.932 -3.655 4.477 1.00 0.00 H new ATOM 0 HB2 SER A 103 15.941 -5.313 4.225 1.00 0.00 H new ATOM 0 HB3 SER A 103 15.399 -4.679 5.767 1.00 0.00 H new ATOM 0 HG SER A 103 15.123 -3.582 3.322 1.00 0.00 H new ATOM 1547 N ARG A 104 18.690 -3.266 7.130 1.00 0.00 N ATOM 1548 CA ARG A 104 18.891 -2.492 8.344 1.00 0.00 C ATOM 1549 C ARG A 104 18.565 -1.018 8.093 1.00 0.00 C ATOM 1550 O ARG A 104 19.457 -0.222 7.806 1.00 0.00 O ATOM 1551 CB ARG A 104 20.333 -2.611 8.841 1.00 0.00 C ATOM 1552 CG ARG A 104 20.653 -4.049 9.254 1.00 0.00 C ATOM 1553 CD ARG A 104 21.733 -4.651 8.353 1.00 0.00 C ATOM 1554 NE ARG A 104 22.139 -5.978 8.866 1.00 0.00 N ATOM 1555 CZ ARG A 104 22.990 -6.162 9.885 1.00 0.00 C ATOM 1556 NH1 ARG A 104 23.531 -5.105 10.505 1.00 0.00 N ATOM 1557 NH2 ARG A 104 23.300 -7.404 10.283 1.00 0.00 N ATOM 0 H ARG A 104 19.527 -3.727 6.775 1.00 0.00 H new ATOM 0 HA ARG A 104 18.222 -2.891 9.107 1.00 0.00 H new ATOM 0 HB2 ARG A 104 21.019 -2.293 8.056 1.00 0.00 H new ATOM 0 HB3 ARG A 104 20.486 -1.943 9.688 1.00 0.00 H new ATOM 0 HG2 ARG A 104 20.988 -4.067 10.291 1.00 0.00 H new ATOM 0 HG3 ARG A 104 19.749 -4.656 9.200 1.00 0.00 H new ATOM 0 HD2 ARG A 104 21.357 -4.745 7.334 1.00 0.00 H new ATOM 0 HD3 ARG A 104 22.597 -3.987 8.314 1.00 0.00 H new ATOM 0 HE ARG A 104 21.747 -6.805 8.416 1.00 0.00 H new ATOM 0 HH11 ARG A 104 23.295 -4.160 10.202 1.00 0.00 H new ATOM 0 HH12 ARG A 104 24.179 -5.245 11.280 1.00 0.00 H new ATOM 0 HH21 ARG A 104 22.888 -8.209 9.810 1.00 0.00 H new ATOM 0 HH22 ARG A 104 23.948 -7.544 11.058 1.00 0.00 H new ATOM 1571 N HIS A 105 17.284 -0.700 8.212 1.00 0.00 N ATOM 1572 CA HIS A 105 16.830 0.664 8.002 1.00 0.00 C ATOM 1573 C HIS A 105 15.303 0.715 8.083 1.00 0.00 C ATOM 1574 O HIS A 105 14.661 -0.287 8.395 1.00 0.00 O ATOM 1575 CB HIS A 105 17.372 1.221 6.684 1.00 0.00 C ATOM 1576 CG HIS A 105 18.146 2.509 6.834 1.00 0.00 C ATOM 1577 ND1 HIS A 105 18.083 3.534 5.906 1.00 0.00 N ATOM 1578 CD2 HIS A 105 19.000 2.927 7.813 1.00 0.00 C ATOM 1579 CE1 HIS A 105 18.868 4.519 6.317 1.00 0.00 C ATOM 1580 NE2 HIS A 105 19.435 4.141 7.499 1.00 0.00 N ATOM 0 H HIS A 105 16.547 -1.363 8.451 1.00 0.00 H new ATOM 0 HA HIS A 105 17.223 1.307 8.790 1.00 0.00 H new ATOM 0 HB2 HIS A 105 18.017 0.473 6.223 1.00 0.00 H new ATOM 0 HB3 HIS A 105 16.539 1.387 6.001 1.00 0.00 H new ATOM 0 HD2 HIS A 105 19.275 2.365 8.694 1.00 0.00 H new ATOM 0 HE1 HIS A 105 19.031 5.457 5.806 1.00 0.00 H new ATOM 0 HE2 HIS A 105 20.086 4.700 8.051 1.00 0.00 H new ATOM 1588 N SER A 106 14.765 1.891 7.797 1.00 0.00 N ATOM 1589 CA SER A 106 13.326 2.085 7.833 1.00 0.00 C ATOM 1590 C SER A 106 12.790 2.299 6.416 1.00 0.00 C ATOM 1591 O SER A 106 13.436 1.918 5.441 1.00 0.00 O ATOM 1592 CB SER A 106 12.952 3.271 8.726 1.00 0.00 C ATOM 1593 OG SER A 106 13.238 4.520 8.102 1.00 0.00 O ATOM 0 H SER A 106 15.300 2.720 7.539 1.00 0.00 H new ATOM 0 HA SER A 106 12.871 1.189 8.255 1.00 0.00 H new ATOM 0 HB2 SER A 106 11.890 3.222 8.969 1.00 0.00 H new ATOM 0 HB3 SER A 106 13.498 3.203 9.667 1.00 0.00 H new ATOM 0 HG SER A 106 12.984 5.252 8.703 1.00 0.00 H new ATOM 1599 N VAL A 107 11.615 2.906 6.347 1.00 0.00 N ATOM 1600 CA VAL A 107 10.985 3.175 5.065 1.00 0.00 C ATOM 1601 C VAL A 107 11.863 4.137 4.263 1.00 0.00 C ATOM 1602 O VAL A 107 12.516 5.009 4.833 1.00 0.00 O ATOM 1603 CB VAL A 107 9.564 3.699 5.280 1.00 0.00 C ATOM 1604 CG1 VAL A 107 8.866 3.953 3.942 1.00 0.00 C ATOM 1605 CG2 VAL A 107 8.751 2.737 6.149 1.00 0.00 C ATOM 0 H VAL A 107 11.082 3.220 7.158 1.00 0.00 H new ATOM 0 HA VAL A 107 10.893 2.257 4.484 1.00 0.00 H new ATOM 0 HB VAL A 107 9.633 4.650 5.808 1.00 0.00 H new ATOM 0 HG11 VAL A 107 7.857 4.325 4.123 1.00 0.00 H new ATOM 0 HG12 VAL A 107 9.429 4.693 3.373 1.00 0.00 H new ATOM 0 HG13 VAL A 107 8.814 3.023 3.377 1.00 0.00 H new ATOM 0 HG21 VAL A 107 7.745 3.133 6.287 1.00 0.00 H new ATOM 0 HG22 VAL A 107 8.695 1.764 5.660 1.00 0.00 H new ATOM 0 HG23 VAL A 107 9.234 2.628 7.120 1.00 0.00 H new ATOM 1615 N ALA A 108 11.849 3.947 2.952 1.00 0.00 N ATOM 1616 CA ALA A 108 12.635 4.788 2.065 1.00 0.00 C ATOM 1617 C ALA A 108 11.856 6.069 1.761 1.00 0.00 C ATOM 1618 O ALA A 108 12.366 6.965 1.090 1.00 0.00 O ATOM 1619 CB ALA A 108 12.988 4.005 0.799 1.00 0.00 C ATOM 0 H ALA A 108 11.306 3.223 2.482 1.00 0.00 H new ATOM 0 HA ALA A 108 13.572 5.078 2.541 1.00 0.00 H new ATOM 0 HB1 ALA A 108 13.578 4.636 0.134 1.00 0.00 H new ATOM 0 HB2 ALA A 108 13.566 3.121 1.067 1.00 0.00 H new ATOM 0 HB3 ALA A 108 12.072 3.700 0.293 1.00 0.00 H new ATOM 1625 N GLY A 109 10.633 6.115 2.268 1.00 0.00 N ATOM 1626 CA GLY A 109 9.779 7.271 2.059 1.00 0.00 C ATOM 1627 C GLY A 109 8.337 6.970 2.471 1.00 0.00 C ATOM 1628 O GLY A 109 7.740 6.006 1.992 1.00 0.00 O ATOM 0 H GLY A 109 10.213 5.370 2.823 1.00 0.00 H new ATOM 0 HA2 GLY A 109 10.157 8.115 2.635 1.00 0.00 H new ATOM 0 HA3 GLY A 109 9.807 7.563 1.009 1.00 0.00 H new ATOM 1632 N GLU A 110 7.819 7.811 3.354 1.00 0.00 N ATOM 1633 CA GLU A 110 6.458 7.646 3.835 1.00 0.00 C ATOM 1634 C GLU A 110 5.571 8.780 3.318 1.00 0.00 C ATOM 1635 O GLU A 110 6.017 9.921 3.208 1.00 0.00 O ATOM 1636 CB GLU A 110 6.422 7.574 5.363 1.00 0.00 C ATOM 1637 CG GLU A 110 7.085 6.292 5.868 1.00 0.00 C ATOM 1638 CD GLU A 110 8.482 6.578 6.422 1.00 0.00 C ATOM 1639 OE1 GLU A 110 9.338 6.998 5.614 1.00 0.00 O ATOM 1640 OE2 GLU A 110 8.662 6.371 7.642 1.00 0.00 O ATOM 0 H GLU A 110 8.317 8.609 3.749 1.00 0.00 H new ATOM 0 HA GLU A 110 6.069 6.703 3.450 1.00 0.00 H new ATOM 0 HB2 GLU A 110 6.932 8.441 5.783 1.00 0.00 H new ATOM 0 HB3 GLU A 110 5.389 7.613 5.708 1.00 0.00 H new ATOM 0 HG2 GLU A 110 6.467 5.841 6.645 1.00 0.00 H new ATOM 0 HG3 GLU A 110 7.153 5.569 5.055 1.00 0.00 H new ATOM 1647 N LEU A 111 4.330 8.427 3.014 1.00 0.00 N ATOM 1648 CA LEU A 111 3.377 9.401 2.511 1.00 0.00 C ATOM 1649 C LEU A 111 2.034 9.207 3.219 1.00 0.00 C ATOM 1650 O LEU A 111 1.577 8.078 3.391 1.00 0.00 O ATOM 1651 CB LEU A 111 3.285 9.323 0.986 1.00 0.00 C ATOM 1652 CG LEU A 111 3.424 10.649 0.237 1.00 0.00 C ATOM 1653 CD1 LEU A 111 4.013 10.431 -1.158 1.00 0.00 C ATOM 1654 CD2 LEU A 111 2.088 11.393 0.185 1.00 0.00 C ATOM 0 H LEU A 111 3.963 7.480 3.107 1.00 0.00 H new ATOM 0 HA LEU A 111 3.713 10.413 2.735 1.00 0.00 H new ATOM 0 HB2 LEU A 111 4.060 8.644 0.629 1.00 0.00 H new ATOM 0 HB3 LEU A 111 2.325 8.878 0.722 1.00 0.00 H new ATOM 0 HG LEU A 111 4.122 11.280 0.787 1.00 0.00 H new ATOM 0 HD11 LEU A 111 4.101 11.389 -1.669 1.00 0.00 H new ATOM 0 HD12 LEU A 111 4.999 9.975 -1.069 1.00 0.00 H new ATOM 0 HD13 LEU A 111 3.359 9.773 -1.730 1.00 0.00 H new ATOM 0 HD21 LEU A 111 2.215 12.332 -0.353 1.00 0.00 H new ATOM 0 HD22 LEU A 111 1.349 10.778 -0.328 1.00 0.00 H new ATOM 0 HD23 LEU A 111 1.747 11.599 1.199 1.00 0.00 H new ATOM 1666 N ARG A 112 1.441 10.325 3.611 1.00 0.00 N ATOM 1667 CA ARG A 112 0.160 10.292 4.297 1.00 0.00 C ATOM 1668 C ARG A 112 -0.960 10.725 3.349 1.00 0.00 C ATOM 1669 O ARG A 112 -0.855 11.758 2.689 1.00 0.00 O ATOM 1670 CB ARG A 112 0.167 11.209 5.521 1.00 0.00 C ATOM 1671 CG ARG A 112 -1.259 11.548 5.960 1.00 0.00 C ATOM 1672 CD ARG A 112 -1.262 12.248 7.321 1.00 0.00 C ATOM 1673 NE ARG A 112 -2.287 13.315 7.338 1.00 0.00 N ATOM 1674 CZ ARG A 112 -2.720 13.923 8.452 1.00 0.00 C ATOM 1675 NH1 ARG A 112 -2.219 13.572 9.644 1.00 0.00 N ATOM 1676 NH2 ARG A 112 -3.654 14.881 8.372 1.00 0.00 N ATOM 0 H ARG A 112 1.824 11.259 3.467 1.00 0.00 H new ATOM 0 HA ARG A 112 -0.014 9.268 4.627 1.00 0.00 H new ATOM 0 HB2 ARG A 112 0.698 10.724 6.340 1.00 0.00 H new ATOM 0 HB3 ARG A 112 0.708 12.127 5.289 1.00 0.00 H new ATOM 0 HG2 ARG A 112 -1.729 12.190 5.216 1.00 0.00 H new ATOM 0 HG3 ARG A 112 -1.853 10.636 6.015 1.00 0.00 H new ATOM 0 HD2 ARG A 112 -1.465 11.525 8.111 1.00 0.00 H new ATOM 0 HD3 ARG A 112 -0.279 12.673 7.523 1.00 0.00 H new ATOM 0 HE ARG A 112 -2.689 13.606 6.447 1.00 0.00 H new ATOM 0 HH11 ARG A 112 -1.509 12.843 9.704 1.00 0.00 H new ATOM 0 HH12 ARG A 112 -2.548 14.034 10.492 1.00 0.00 H new ATOM 0 HH21 ARG A 112 -4.035 15.147 7.464 1.00 0.00 H new ATOM 0 HH22 ARG A 112 -3.984 15.344 9.219 1.00 0.00 H new ATOM 1690 N LEU A 113 -2.007 9.914 3.312 1.00 0.00 N ATOM 1691 CA LEU A 113 -3.146 10.201 2.456 1.00 0.00 C ATOM 1692 C LEU A 113 -4.433 10.106 3.279 1.00 0.00 C ATOM 1693 O LEU A 113 -4.405 9.694 4.437 1.00 0.00 O ATOM 1694 CB LEU A 113 -3.134 9.292 1.226 1.00 0.00 C ATOM 1695 CG LEU A 113 -1.867 9.339 0.369 1.00 0.00 C ATOM 1696 CD1 LEU A 113 -1.920 8.294 -0.746 1.00 0.00 C ATOM 1697 CD2 LEU A 113 -1.626 10.748 -0.176 1.00 0.00 C ATOM 0 H LEU A 113 -2.091 9.058 3.861 1.00 0.00 H new ATOM 0 HA LEU A 113 -3.087 11.219 2.071 1.00 0.00 H new ATOM 0 HB2 LEU A 113 -3.287 8.265 1.557 1.00 0.00 H new ATOM 0 HB3 LEU A 113 -3.984 9.554 0.597 1.00 0.00 H new ATOM 0 HG LEU A 113 -1.016 9.089 1.003 1.00 0.00 H new ATOM 0 HD11 LEU A 113 -1.008 8.349 -1.340 1.00 0.00 H new ATOM 0 HD12 LEU A 113 -2.009 7.300 -0.309 1.00 0.00 H new ATOM 0 HD13 LEU A 113 -2.781 8.488 -1.385 1.00 0.00 H new ATOM 0 HD21 LEU A 113 -0.720 10.754 -0.781 1.00 0.00 H new ATOM 0 HD22 LEU A 113 -2.474 11.051 -0.790 1.00 0.00 H new ATOM 0 HD23 LEU A 113 -1.512 11.445 0.654 1.00 0.00 H new ATOM 1709 N GLY A 114 -5.531 10.494 2.647 1.00 0.00 N ATOM 1710 CA GLY A 114 -6.826 10.458 3.305 1.00 0.00 C ATOM 1711 C GLY A 114 -7.856 9.721 2.447 1.00 0.00 C ATOM 1712 O GLY A 114 -7.790 9.760 1.220 1.00 0.00 O ATOM 0 H GLY A 114 -5.550 10.835 1.686 1.00 0.00 H new ATOM 0 HA2 GLY A 114 -6.733 9.964 4.272 1.00 0.00 H new ATOM 0 HA3 GLY A 114 -7.168 11.475 3.498 1.00 0.00 H new ATOM 1716 N LEU A 115 -8.786 9.066 3.128 1.00 0.00 N ATOM 1717 CA LEU A 115 -9.829 8.322 2.444 1.00 0.00 C ATOM 1718 C LEU A 115 -11.129 9.128 2.475 1.00 0.00 C ATOM 1719 O LEU A 115 -11.900 9.108 1.516 1.00 0.00 O ATOM 1720 CB LEU A 115 -9.962 6.917 3.036 1.00 0.00 C ATOM 1721 CG LEU A 115 -8.656 6.243 3.462 1.00 0.00 C ATOM 1722 CD1 LEU A 115 -7.522 6.582 2.492 1.00 0.00 C ATOM 1723 CD2 LEU A 115 -8.301 6.600 4.907 1.00 0.00 C ATOM 0 H LEU A 115 -8.838 9.036 4.146 1.00 0.00 H new ATOM 0 HA LEU A 115 -9.568 8.177 1.396 1.00 0.00 H new ATOM 0 HB2 LEU A 115 -10.620 6.970 3.903 1.00 0.00 H new ATOM 0 HB3 LEU A 115 -10.454 6.280 2.301 1.00 0.00 H new ATOM 0 HG LEU A 115 -8.800 5.163 3.423 1.00 0.00 H new ATOM 0 HD11 LEU A 115 -6.605 6.090 2.818 1.00 0.00 H new ATOM 0 HD12 LEU A 115 -7.783 6.236 1.492 1.00 0.00 H new ATOM 0 HD13 LEU A 115 -7.369 7.661 2.474 1.00 0.00 H new ATOM 0 HD21 LEU A 115 -7.369 6.108 5.185 1.00 0.00 H new ATOM 0 HD22 LEU A 115 -8.182 7.680 4.996 1.00 0.00 H new ATOM 0 HD23 LEU A 115 -9.099 6.267 5.571 1.00 0.00 H new ATOM 1735 N ASP A 116 -11.333 9.818 3.587 1.00 0.00 N ATOM 1736 CA ASP A 116 -12.527 10.630 3.756 1.00 0.00 C ATOM 1737 C ASP A 116 -12.781 11.427 2.476 1.00 0.00 C ATOM 1738 O ASP A 116 -13.929 11.701 2.129 1.00 0.00 O ATOM 1739 CB ASP A 116 -12.358 11.624 4.907 1.00 0.00 C ATOM 1740 CG ASP A 116 -10.911 11.996 5.234 1.00 0.00 C ATOM 1741 OD1 ASP A 116 -10.098 11.055 5.363 1.00 0.00 O ATOM 1742 OD2 ASP A 116 -10.649 13.213 5.347 1.00 0.00 O ATOM 0 H ASP A 116 -10.692 9.832 4.380 1.00 0.00 H new ATOM 0 HA ASP A 116 -13.361 9.963 3.975 1.00 0.00 H new ATOM 0 HB2 ASP A 116 -12.905 12.535 4.664 1.00 0.00 H new ATOM 0 HB3 ASP A 116 -12.820 11.204 5.800 1.00 0.00 H new ATOM 1747 N GLY A 117 -11.692 11.777 1.808 1.00 0.00 N ATOM 1748 CA GLY A 117 -11.783 12.538 0.573 1.00 0.00 C ATOM 1749 C GLY A 117 -11.328 13.983 0.785 1.00 0.00 C ATOM 1750 O GLY A 117 -11.676 14.868 0.004 1.00 0.00 O ATOM 0 H GLY A 117 -10.741 11.548 2.098 1.00 0.00 H new ATOM 0 HA2 GLY A 117 -11.168 12.068 -0.194 1.00 0.00 H new ATOM 0 HA3 GLY A 117 -12.810 12.526 0.209 1.00 0.00 H new ATOM 1754 N THR A 118 -10.557 14.178 1.845 1.00 0.00 N ATOM 1755 CA THR A 118 -10.050 15.501 2.169 1.00 0.00 C ATOM 1756 C THR A 118 -8.641 15.686 1.602 1.00 0.00 C ATOM 1757 O THR A 118 -8.473 16.237 0.515 1.00 0.00 O ATOM 1758 CB THR A 118 -10.122 15.676 3.687 1.00 0.00 C ATOM 1759 OG1 THR A 118 -11.509 15.879 3.948 1.00 0.00 O ATOM 1760 CG2 THR A 118 -9.460 16.972 4.159 1.00 0.00 C ATOM 0 H THR A 118 -10.271 13.442 2.491 1.00 0.00 H new ATOM 0 HA THR A 118 -10.656 16.281 1.708 1.00 0.00 H new ATOM 0 HB THR A 118 -9.643 14.826 4.173 1.00 0.00 H new ATOM 0 HG1 THR A 118 -11.646 16.000 4.911 1.00 0.00 H new ATOM 0 HG21 THR A 118 -9.539 17.047 5.244 1.00 0.00 H new ATOM 0 HG22 THR A 118 -8.409 16.969 3.871 1.00 0.00 H new ATOM 0 HG23 THR A 118 -9.960 17.824 3.699 1.00 0.00 H new ATOM 1768 N SER A 119 -7.665 15.215 2.364 1.00 0.00 N ATOM 1769 CA SER A 119 -6.276 15.322 1.951 1.00 0.00 C ATOM 1770 C SER A 119 -6.159 15.090 0.443 1.00 0.00 C ATOM 1771 O SER A 119 -5.678 15.957 -0.286 1.00 0.00 O ATOM 1772 CB SER A 119 -5.397 14.326 2.711 1.00 0.00 C ATOM 1773 OG SER A 119 -5.256 14.678 4.084 1.00 0.00 O ATOM 0 H SER A 119 -7.808 14.758 3.265 1.00 0.00 H new ATOM 0 HA SER A 119 -5.926 16.327 2.186 1.00 0.00 H new ATOM 0 HB2 SER A 119 -5.830 13.329 2.635 1.00 0.00 H new ATOM 0 HB3 SER A 119 -4.413 14.282 2.245 1.00 0.00 H new ATOM 0 HG SER A 119 -4.690 14.017 4.535 1.00 0.00 H new ATOM 1779 N VAL A 120 -6.605 13.917 0.020 1.00 0.00 N ATOM 1780 CA VAL A 120 -6.557 13.561 -1.387 1.00 0.00 C ATOM 1781 C VAL A 120 -7.886 12.922 -1.794 1.00 0.00 C ATOM 1782 O VAL A 120 -8.453 12.129 -1.043 1.00 0.00 O ATOM 1783 CB VAL A 120 -5.352 12.658 -1.657 1.00 0.00 C ATOM 1784 CG1 VAL A 120 -4.081 13.485 -1.861 1.00 0.00 C ATOM 1785 CG2 VAL A 120 -5.167 11.638 -0.531 1.00 0.00 C ATOM 0 H VAL A 120 -7.002 13.200 0.628 1.00 0.00 H new ATOM 0 HA VAL A 120 -6.424 14.451 -2.001 1.00 0.00 H new ATOM 0 HB VAL A 120 -5.546 12.109 -2.578 1.00 0.00 H new ATOM 0 HG11 VAL A 120 -3.240 12.818 -2.051 1.00 0.00 H new ATOM 0 HG12 VAL A 120 -4.214 14.153 -2.712 1.00 0.00 H new ATOM 0 HG13 VAL A 120 -3.882 14.074 -0.965 1.00 0.00 H new ATOM 0 HG21 VAL A 120 -4.304 11.009 -0.748 1.00 0.00 H new ATOM 0 HG22 VAL A 120 -5.007 12.162 0.411 1.00 0.00 H new ATOM 0 HG23 VAL A 120 -6.059 11.016 -0.453 1.00 0.00 H new ATOM 1795 N PRO A 121 -8.357 13.300 -3.012 1.00 0.00 N ATOM 1796 CA PRO A 121 -9.609 12.772 -3.528 1.00 0.00 C ATOM 1797 C PRO A 121 -9.441 11.327 -4.002 1.00 0.00 C ATOM 1798 O PRO A 121 -8.323 10.819 -4.072 1.00 0.00 O ATOM 1799 CB PRO A 121 -10.006 13.722 -4.646 1.00 0.00 C ATOM 1800 CG PRO A 121 -8.739 14.473 -5.024 1.00 0.00 C ATOM 1801 CD PRO A 121 -7.712 14.236 -3.929 1.00 0.00 C ATOM 0 HA PRO A 121 -10.390 12.724 -2.769 1.00 0.00 H new ATOM 0 HB2 PRO A 121 -10.405 13.175 -5.500 1.00 0.00 H new ATOM 0 HB3 PRO A 121 -10.784 14.410 -4.316 1.00 0.00 H new ATOM 0 HG2 PRO A 121 -8.360 14.123 -5.984 1.00 0.00 H new ATOM 0 HG3 PRO A 121 -8.944 15.538 -5.131 1.00 0.00 H new ATOM 0 HD2 PRO A 121 -6.789 13.821 -4.335 1.00 0.00 H new ATOM 0 HD3 PRO A 121 -7.449 15.166 -3.425 1.00 0.00 H new ATOM 1809 N LEU A 122 -10.568 10.706 -4.316 1.00 0.00 N ATOM 1810 CA LEU A 122 -10.560 9.330 -4.782 1.00 0.00 C ATOM 1811 C LEU A 122 -10.650 9.313 -6.310 1.00 0.00 C ATOM 1812 O LEU A 122 -11.147 10.260 -6.917 1.00 0.00 O ATOM 1813 CB LEU A 122 -11.662 8.524 -4.092 1.00 0.00 C ATOM 1814 CG LEU A 122 -11.434 8.205 -2.613 1.00 0.00 C ATOM 1815 CD1 LEU A 122 -12.717 7.686 -1.960 1.00 0.00 C ATOM 1816 CD2 LEU A 122 -10.267 7.233 -2.436 1.00 0.00 C ATOM 0 H LEU A 122 -11.493 11.131 -4.257 1.00 0.00 H new ATOM 0 HA LEU A 122 -9.624 8.842 -4.512 1.00 0.00 H new ATOM 0 HB2 LEU A 122 -12.599 9.074 -4.184 1.00 0.00 H new ATOM 0 HB3 LEU A 122 -11.789 7.585 -4.630 1.00 0.00 H new ATOM 0 HG LEU A 122 -11.164 9.129 -2.102 1.00 0.00 H new ATOM 0 HD11 LEU A 122 -12.528 7.467 -0.909 1.00 0.00 H new ATOM 0 HD12 LEU A 122 -13.497 8.443 -2.038 1.00 0.00 H new ATOM 0 HD13 LEU A 122 -13.042 6.777 -2.467 1.00 0.00 H new ATOM 0 HD21 LEU A 122 -10.126 7.023 -1.376 1.00 0.00 H new ATOM 0 HD22 LEU A 122 -10.483 6.305 -2.964 1.00 0.00 H new ATOM 0 HD23 LEU A 122 -9.358 7.678 -2.842 1.00 0.00 H new ATOM 1828 N GLY A 123 -10.162 8.224 -6.887 1.00 0.00 N ATOM 1829 CA GLY A 123 -10.181 8.071 -8.332 1.00 0.00 C ATOM 1830 C GLY A 123 -9.497 9.255 -9.018 1.00 0.00 C ATOM 1831 O GLY A 123 -9.779 9.553 -10.177 1.00 0.00 O ATOM 0 H GLY A 123 -9.751 7.440 -6.380 1.00 0.00 H new ATOM 0 HA2 GLY A 123 -9.678 7.145 -8.610 1.00 0.00 H new ATOM 0 HA3 GLY A 123 -11.211 7.991 -8.679 1.00 0.00 H new ATOM 1835 N ALA A 124 -8.610 9.898 -8.272 1.00 0.00 N ATOM 1836 CA ALA A 124 -7.883 11.043 -8.794 1.00 0.00 C ATOM 1837 C ALA A 124 -6.381 10.811 -8.617 1.00 0.00 C ATOM 1838 O ALA A 124 -5.846 10.988 -7.524 1.00 0.00 O ATOM 1839 CB ALA A 124 -8.363 12.315 -8.093 1.00 0.00 C ATOM 0 H ALA A 124 -8.379 9.648 -7.311 1.00 0.00 H new ATOM 0 HA ALA A 124 -8.074 11.166 -9.860 1.00 0.00 H new ATOM 0 HB1 ALA A 124 -7.818 13.174 -8.484 1.00 0.00 H new ATOM 0 HB2 ALA A 124 -9.430 12.449 -8.273 1.00 0.00 H new ATOM 0 HB3 ALA A 124 -8.184 12.229 -7.021 1.00 0.00 H new ATOM 1845 N ALA A 125 -5.742 10.419 -9.710 1.00 0.00 N ATOM 1846 CA ALA A 125 -4.312 10.162 -9.690 1.00 0.00 C ATOM 1847 C ALA A 125 -3.566 11.473 -9.435 1.00 0.00 C ATOM 1848 O ALA A 125 -3.691 12.422 -10.206 1.00 0.00 O ATOM 1849 CB ALA A 125 -3.894 9.498 -11.003 1.00 0.00 C ATOM 0 H ALA A 125 -6.189 10.273 -10.615 1.00 0.00 H new ATOM 0 HA ALA A 125 -4.057 9.476 -8.883 1.00 0.00 H new ATOM 0 HB1 ALA A 125 -2.821 9.305 -10.988 1.00 0.00 H new ATOM 0 HB2 ALA A 125 -4.430 8.556 -11.121 1.00 0.00 H new ATOM 0 HB3 ALA A 125 -4.132 10.158 -11.837 1.00 0.00 H new ATOM 1855 N GLN A 126 -2.806 11.483 -8.350 1.00 0.00 N ATOM 1856 CA GLN A 126 -2.039 12.661 -7.983 1.00 0.00 C ATOM 1857 C GLN A 126 -0.656 12.257 -7.469 1.00 0.00 C ATOM 1858 O GLN A 126 -0.522 11.264 -6.755 1.00 0.00 O ATOM 1859 CB GLN A 126 -2.786 13.500 -6.945 1.00 0.00 C ATOM 1860 CG GLN A 126 -3.435 12.609 -5.883 1.00 0.00 C ATOM 1861 CD GLN A 126 -4.955 12.782 -5.876 1.00 0.00 C ATOM 1862 OE1 GLN A 126 -5.505 13.692 -6.474 1.00 0.00 O ATOM 1863 NE2 GLN A 126 -5.601 11.860 -5.167 1.00 0.00 N ATOM 0 H GLN A 126 -2.705 10.693 -7.713 1.00 0.00 H new ATOM 0 HA GLN A 126 -1.908 13.276 -8.873 1.00 0.00 H new ATOM 0 HB2 GLN A 126 -2.095 14.195 -6.468 1.00 0.00 H new ATOM 0 HB3 GLN A 126 -3.551 14.099 -7.439 1.00 0.00 H new ATOM 0 HG2 GLN A 126 -3.185 11.566 -6.076 1.00 0.00 H new ATOM 0 HG3 GLN A 126 -3.033 12.856 -4.901 1.00 0.00 H new ATOM 0 HE21 GLN A 126 -5.079 11.125 -4.690 1.00 0.00 H new ATOM 0 HE22 GLN A 126 -6.618 11.888 -5.100 1.00 0.00 H new ATOM 1872 N TRP A 127 0.337 13.046 -7.853 1.00 0.00 N ATOM 1873 CA TRP A 127 1.704 12.782 -7.440 1.00 0.00 C ATOM 1874 C TRP A 127 1.916 13.425 -6.068 1.00 0.00 C ATOM 1875 O TRP A 127 1.562 14.584 -5.860 1.00 0.00 O ATOM 1876 CB TRP A 127 2.700 13.276 -8.491 1.00 0.00 C ATOM 1877 CG TRP A 127 2.930 12.293 -9.641 1.00 0.00 C ATOM 1878 CD1 TRP A 127 2.083 11.959 -10.624 1.00 0.00 C ATOM 1879 CD2 TRP A 127 4.127 11.525 -9.888 1.00 0.00 C ATOM 1880 NE1 TRP A 127 2.643 11.036 -11.483 1.00 0.00 N ATOM 1881 CE2 TRP A 127 3.926 10.764 -11.021 1.00 0.00 C ATOM 1882 CE3 TRP A 127 5.340 11.476 -9.178 1.00 0.00 C ATOM 1883 CZ2 TRP A 127 4.893 9.898 -11.545 1.00 0.00 C ATOM 1884 CZ3 TRP A 127 6.296 10.605 -9.714 1.00 0.00 C ATOM 1885 CH2 TRP A 127 6.109 9.832 -10.854 1.00 0.00 C ATOM 0 H TRP A 127 0.222 13.868 -8.446 1.00 0.00 H new ATOM 0 HA TRP A 127 1.880 11.710 -7.354 1.00 0.00 H new ATOM 0 HB2 TRP A 127 2.342 14.221 -8.900 1.00 0.00 H new ATOM 0 HB3 TRP A 127 3.654 13.480 -8.005 1.00 0.00 H new ATOM 0 HD1 TRP A 127 1.087 12.362 -10.731 1.00 0.00 H new ATOM 0 HE1 TRP A 127 2.198 10.628 -12.305 1.00 0.00 H new ATOM 0 HE3 TRP A 127 5.520 12.064 -8.290 1.00 0.00 H new ATOM 0 HZ2 TRP A 127 4.711 9.313 -12.434 1.00 0.00 H new ATOM 0 HZ3 TRP A 127 7.246 10.528 -9.206 1.00 0.00 H new ATOM 0 HH2 TRP A 127 6.898 9.183 -11.205 1.00 0.00 H new ATOM 1896 N GLY A 128 2.492 12.643 -5.166 1.00 0.00 N ATOM 1897 CA GLY A 128 2.755 13.122 -3.820 1.00 0.00 C ATOM 1898 C GLY A 128 4.194 12.814 -3.400 1.00 0.00 C ATOM 1899 O GLY A 128 4.683 11.706 -3.613 1.00 0.00 O ATOM 0 H GLY A 128 2.784 11.681 -5.341 1.00 0.00 H new ATOM 0 HA2 GLY A 128 2.580 14.197 -3.772 1.00 0.00 H new ATOM 0 HA3 GLY A 128 2.061 12.655 -3.122 1.00 0.00 H new ATOM 1903 N GLU A 129 4.831 13.815 -2.810 1.00 0.00 N ATOM 1904 CA GLU A 129 6.204 13.666 -2.359 1.00 0.00 C ATOM 1905 C GLU A 129 6.260 12.777 -1.115 1.00 0.00 C ATOM 1906 O GLU A 129 5.373 12.836 -0.265 1.00 0.00 O ATOM 1907 CB GLU A 129 6.844 15.029 -2.088 1.00 0.00 C ATOM 1908 CG GLU A 129 7.777 15.434 -3.231 1.00 0.00 C ATOM 1909 CD GLU A 129 7.124 16.491 -4.123 1.00 0.00 C ATOM 1910 OE1 GLU A 129 5.953 16.271 -4.500 1.00 0.00 O ATOM 1911 OE2 GLU A 129 7.811 17.496 -4.409 1.00 0.00 O ATOM 0 H GLU A 129 4.421 14.732 -2.634 1.00 0.00 H new ATOM 0 HA GLU A 129 6.776 13.185 -3.152 1.00 0.00 H new ATOM 0 HB2 GLU A 129 6.066 15.782 -1.965 1.00 0.00 H new ATOM 0 HB3 GLU A 129 7.403 14.993 -1.153 1.00 0.00 H new ATOM 0 HG2 GLU A 129 8.710 15.823 -2.823 1.00 0.00 H new ATOM 0 HG3 GLU A 129 8.031 14.557 -3.826 1.00 0.00 H new ATOM 1918 N LEU A 130 7.312 11.974 -1.047 1.00 0.00 N ATOM 1919 CA LEU A 130 7.495 11.074 0.079 1.00 0.00 C ATOM 1920 C LEU A 130 8.139 11.837 1.237 1.00 0.00 C ATOM 1921 O LEU A 130 9.173 12.481 1.062 1.00 0.00 O ATOM 1922 CB LEU A 130 8.278 9.831 -0.350 1.00 0.00 C ATOM 1923 CG LEU A 130 7.519 8.827 -1.220 1.00 0.00 C ATOM 1924 CD1 LEU A 130 8.486 7.887 -1.943 1.00 0.00 C ATOM 1925 CD2 LEU A 130 6.482 8.061 -0.396 1.00 0.00 C ATOM 0 H LEU A 130 8.046 11.928 -1.753 1.00 0.00 H new ATOM 0 HA LEU A 130 6.532 10.708 0.435 1.00 0.00 H new ATOM 0 HB2 LEU A 130 9.165 10.155 -0.894 1.00 0.00 H new ATOM 0 HB3 LEU A 130 8.624 9.316 0.547 1.00 0.00 H new ATOM 0 HG LEU A 130 6.976 9.381 -1.986 1.00 0.00 H new ATOM 0 HD11 LEU A 130 7.921 7.184 -2.554 1.00 0.00 H new ATOM 0 HD12 LEU A 130 9.151 8.469 -2.581 1.00 0.00 H new ATOM 0 HD13 LEU A 130 9.076 7.338 -1.209 1.00 0.00 H new ATOM 0 HD21 LEU A 130 5.957 7.354 -1.038 1.00 0.00 H new ATOM 0 HD22 LEU A 130 6.983 7.519 0.406 1.00 0.00 H new ATOM 0 HD23 LEU A 130 5.767 8.763 0.032 1.00 0.00 H new ATOM 1937 N LYS A 131 7.503 11.741 2.395 1.00 0.00 N ATOM 1938 CA LYS A 131 8.001 12.415 3.582 1.00 0.00 C ATOM 1939 C LYS A 131 8.884 11.451 4.377 1.00 0.00 C ATOM 1940 O LYS A 131 8.523 11.037 5.477 1.00 0.00 O ATOM 1941 CB LYS A 131 6.843 12.999 4.393 1.00 0.00 C ATOM 1942 CG LYS A 131 6.002 13.951 3.540 1.00 0.00 C ATOM 1943 CD LYS A 131 4.544 13.491 3.479 1.00 0.00 C ATOM 1944 CE LYS A 131 3.831 14.089 2.265 1.00 0.00 C ATOM 1945 NZ LYS A 131 2.363 13.968 2.415 1.00 0.00 N ATOM 0 H LYS A 131 6.646 11.206 2.537 1.00 0.00 H new ATOM 0 HA LYS A 131 8.625 13.265 3.304 1.00 0.00 H new ATOM 0 HB2 LYS A 131 6.215 12.192 4.770 1.00 0.00 H new ATOM 0 HB3 LYS A 131 7.234 13.531 5.260 1.00 0.00 H new ATOM 0 HG2 LYS A 131 6.052 14.957 3.955 1.00 0.00 H new ATOM 0 HG3 LYS A 131 6.414 14.001 2.532 1.00 0.00 H new ATOM 0 HD2 LYS A 131 4.504 12.403 3.429 1.00 0.00 H new ATOM 0 HD3 LYS A 131 4.027 13.788 4.392 1.00 0.00 H new ATOM 0 HE2 LYS A 131 4.106 15.138 2.154 1.00 0.00 H new ATOM 0 HE3 LYS A 131 4.153 13.578 1.358 1.00 0.00 H new ATOM 0 HZ1 LYS A 131 1.933 13.782 1.486 1.00 0.00 H new ATOM 0 HZ2 LYS A 131 2.144 13.184 3.062 1.00 0.00 H new ATOM 0 HZ3 LYS A 131 1.979 14.854 2.802 1.00 0.00 H new ATOM 1959 N THR A 132 10.025 11.122 3.789 1.00 0.00 N ATOM 1960 CA THR A 132 10.963 10.215 4.429 1.00 0.00 C ATOM 1961 C THR A 132 11.005 10.469 5.937 1.00 0.00 C ATOM 1962 O THR A 132 11.668 11.399 6.395 1.00 0.00 O ATOM 1963 CB THR A 132 12.322 10.381 3.746 1.00 0.00 C ATOM 1964 OG1 THR A 132 12.617 11.767 3.892 1.00 0.00 O ATOM 1965 CG2 THR A 132 12.246 10.173 2.232 1.00 0.00 C ATOM 0 H THR A 132 10.321 11.467 2.876 1.00 0.00 H new ATOM 0 HA THR A 132 10.651 9.177 4.315 1.00 0.00 H new ATOM 0 HB THR A 132 13.032 9.673 4.174 1.00 0.00 H new ATOM 0 HG1 THR A 132 12.530 12.022 4.834 1.00 0.00 H new ATOM 0 HG21 THR A 132 13.237 10.302 1.797 1.00 0.00 H new ATOM 0 HG22 THR A 132 11.885 9.166 2.021 1.00 0.00 H new ATOM 0 HG23 THR A 132 11.562 10.902 1.798 1.00 0.00 H new ATOM 1973 N SER A 133 10.290 9.626 6.667 1.00 0.00 N ATOM 1974 CA SER A 133 10.238 9.747 8.114 1.00 0.00 C ATOM 1975 C SER A 133 11.083 8.648 8.762 1.00 0.00 C ATOM 1976 O SER A 133 11.599 7.769 8.073 1.00 0.00 O ATOM 1977 CB SER A 133 8.796 9.677 8.621 1.00 0.00 C ATOM 1978 OG SER A 133 8.290 10.963 8.968 1.00 0.00 O ATOM 0 H SER A 133 9.742 8.856 6.283 1.00 0.00 H new ATOM 0 HA SER A 133 10.645 10.720 8.391 1.00 0.00 H new ATOM 0 HB2 SER A 133 8.163 9.233 7.853 1.00 0.00 H new ATOM 0 HB3 SER A 133 8.749 9.022 9.491 1.00 0.00 H new ATOM 0 HG SER A 133 7.367 10.877 9.285 1.00 0.00 H new ATOM 1984 N GLY A 134 11.197 8.733 10.079 1.00 0.00 N ATOM 1985 CA GLY A 134 11.970 7.757 10.828 1.00 0.00 C ATOM 1986 C GLY A 134 11.224 6.425 10.925 1.00 0.00 C ATOM 1987 O GLY A 134 10.377 6.121 10.086 1.00 0.00 O ATOM 0 H GLY A 134 10.767 9.463 10.647 1.00 0.00 H new ATOM 0 HA2 GLY A 134 12.935 7.603 10.345 1.00 0.00 H new ATOM 0 HA3 GLY A 134 12.172 8.138 11.829 1.00 0.00 H new ATOM 1991 N PRO A 135 11.575 5.645 11.983 1.00 0.00 N ATOM 1992 CA PRO A 135 10.948 4.353 12.201 1.00 0.00 C ATOM 1993 C PRO A 135 9.528 4.517 12.748 1.00 0.00 C ATOM 1994 O PRO A 135 9.320 5.204 13.747 1.00 0.00 O ATOM 1995 CB PRO A 135 11.873 3.623 13.160 1.00 0.00 C ATOM 1996 CG PRO A 135 12.735 4.696 13.805 1.00 0.00 C ATOM 1997 CD PRO A 135 12.574 5.972 12.996 1.00 0.00 C ATOM 0 HA PRO A 135 10.824 3.785 11.279 1.00 0.00 H new ATOM 0 HB2 PRO A 135 11.304 3.075 13.911 1.00 0.00 H new ATOM 0 HB3 PRO A 135 12.487 2.894 12.631 1.00 0.00 H new ATOM 0 HG2 PRO A 135 12.431 4.859 14.839 1.00 0.00 H new ATOM 0 HG3 PRO A 135 13.780 4.386 13.825 1.00 0.00 H new ATOM 0 HD2 PRO A 135 12.245 6.800 13.624 1.00 0.00 H new ATOM 0 HD3 PRO A 135 13.517 6.273 12.540 1.00 0.00 H new ATOM 2005 N SER A 136 8.589 3.874 12.070 1.00 0.00 N ATOM 2006 CA SER A 136 7.195 3.941 12.476 1.00 0.00 C ATOM 2007 C SER A 136 6.381 2.885 11.725 1.00 0.00 C ATOM 2008 O SER A 136 5.566 3.219 10.866 1.00 0.00 O ATOM 2009 CB SER A 136 6.615 5.334 12.227 1.00 0.00 C ATOM 2010 OG SER A 136 6.452 5.605 10.838 1.00 0.00 O ATOM 0 H SER A 136 8.766 3.304 11.243 1.00 0.00 H new ATOM 0 HA SER A 136 7.140 3.741 13.546 1.00 0.00 H new ATOM 0 HB2 SER A 136 5.651 5.420 12.728 1.00 0.00 H new ATOM 0 HB3 SER A 136 7.272 6.084 12.668 1.00 0.00 H new ATOM 0 HG SER A 136 5.988 4.855 10.411 1.00 0.00 H new ATOM 2016 N SER A 137 6.629 1.632 12.077 1.00 0.00 N ATOM 2017 CA SER A 137 5.929 0.525 11.447 1.00 0.00 C ATOM 2018 C SER A 137 5.278 -0.357 12.514 1.00 0.00 C ATOM 2019 O SER A 137 4.072 -0.598 12.474 1.00 0.00 O ATOM 2020 CB SER A 137 6.877 -0.304 10.579 1.00 0.00 C ATOM 2021 OG SER A 137 6.178 -1.260 9.787 1.00 0.00 O ATOM 0 H SER A 137 7.305 1.359 12.790 1.00 0.00 H new ATOM 0 HA SER A 137 5.153 0.935 10.800 1.00 0.00 H new ATOM 0 HB2 SER A 137 7.446 0.360 9.928 1.00 0.00 H new ATOM 0 HB3 SER A 137 7.596 -0.818 11.217 1.00 0.00 H new ATOM 0 HG SER A 137 6.818 -1.768 9.246 1.00 0.00 H new ATOM 2027 N GLY A 138 6.104 -0.814 13.443 1.00 0.00 N ATOM 2028 CA GLY A 138 5.624 -1.665 14.519 1.00 0.00 C ATOM 2029 C GLY A 138 4.670 -0.899 15.438 1.00 0.00 C ATOM 2030 O GLY A 138 4.591 -1.184 16.632 1.00 0.00 O ATOM 0 H GLY A 138 7.103 -0.611 13.473 1.00 0.00 H new ATOM 0 HA2 GLY A 138 5.114 -2.533 14.101 1.00 0.00 H new ATOM 0 HA3 GLY A 138 6.469 -2.039 15.097 1.00 0.00 H new TER 2034 GLY A 138