USER MOD reduce.3.24.130724 H: found=0, std=0, add=1028, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 1026 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 92 HIS : no HD1:sc= -1.4 X(o=-1.8,f=-1.4) USER MOD Set 1.2: A 96 GLN : amide:sc= -0.414 K(o=-1.8,f=-2.9) USER MOD Set 2.1: A 47 HIS : no HE2:sc= -3.9 K(o=-6.5,f=-7.3!) USER MOD Set 2.2: A 57 GLN : amide:sc= -2.61 K(o=-6.5,f=-13!) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot -130:sc= -0.0298 USER MOD Single : A 5 SER OG : rot -60:sc= 1.37 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 22 SER OG : rot 77:sc= 0.155 USER MOD Single : A 24 TYR OH : rot 151:sc= 0.123 USER MOD Single : A 29 GLN : amide:sc= -0.272 X(o=-0.27,f=-0.27) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 ASN : amide:sc= -0.022 X(o=-0.022,f=-0.022) USER MOD Single : A 37 THR OG1 : rot 160:sc= -1.42 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 43 TYR OH : rot 180:sc= -0.774 USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 GLN : amide:sc= 0 K(o=0,f=-1.6) USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 CYS SG : rot 30:sc= 0.0617 USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 73 HIS : no HD1:sc= -0.574 X(o=-0.57,f=-0.17) USER MOD Single : A 77 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 82 ASN : amide:sc= -0.395 K(o=-0.39,f=-1.5) USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 90 GLN : amide:sc= -1.4 K(o=-1.4,f=-3.9!) USER MOD Single : A 93 THR OG1 : rot 180:sc= 0 USER MOD Single : A 100 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 103 LYS NZ :NH3+ 154:sc= -0.129 (180deg=-0.678) USER MOD Single : A 108 THR OG1 : rot 180:sc= 0 USER MOD Single : A 110 MET CE :methyl 145:sc= -1.75 (180deg=-2.68) USER MOD Single : A 112 TYR OH : rot 180:sc= 0 USER MOD Single : A 117 LYS NZ :NH3+ -135:sc= -1.24 (180deg=-3.36!) USER MOD Single : A 119 LYS NZ :NH3+ -155:sc= 0 (180deg=-0.613) USER MOD Single : A 123 THR OG1 : rot 102:sc= 1.06 USER MOD Single : A 125 ASN : amide:sc= -2.99 K(o=-3,f=-6.3!) USER MOD Single : A 126 ASN : amide:sc= -6.78! C(o=-6.8!,f=-12!) USER MOD Single : A 129 HIS : no HD1:sc= -0.254 X(o=-0.25,f=-0.067) USER MOD Single : A 131 GLN : amide:sc= -0.245 K(o=-0.24,f=-2.4!) USER MOD Single : A 132 SER OG : rot 180:sc= 0 USER MOD Single : A 135 SER OG : rot 180:sc= 0 USER MOD Single : A 136 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -17.779 -16.417 -11.516 1.00 0.00 N ATOM 2 CA GLY A 1 -16.668 -16.635 -10.608 1.00 0.00 C ATOM 3 C GLY A 1 -15.660 -17.627 -11.152 1.00 0.00 C ATOM 4 O GLY A 1 -15.939 -18.824 -11.235 1.00 0.00 O ATOM 0 H1 GLY A 1 -18.440 -15.731 -11.098 1.00 0.00 H new ATOM 0 H2 GLY A 1 -17.421 -16.047 -12.420 1.00 0.00 H new ATOM 0 H3 GLY A 1 -18.273 -17.317 -11.682 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -16.170 -15.685 -10.414 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -17.049 -16.996 -9.653 1.00 0.00 H new ATOM 8 N SER A 2 -14.486 -17.130 -11.526 1.00 0.00 N ATOM 9 CA SER A 2 -13.434 -17.981 -12.072 1.00 0.00 C ATOM 10 C SER A 2 -12.109 -17.733 -11.356 1.00 0.00 C ATOM 11 O SER A 2 -11.316 -16.888 -11.771 1.00 0.00 O ATOM 12 CB SER A 2 -13.272 -17.729 -13.572 1.00 0.00 C ATOM 13 OG SER A 2 -14.476 -18.001 -14.268 1.00 0.00 O ATOM 0 H SER A 2 -14.239 -16.143 -11.461 1.00 0.00 H new ATOM 0 HA SER A 2 -13.723 -19.020 -11.915 1.00 0.00 H new ATOM 0 HB2 SER A 2 -12.977 -16.693 -13.740 1.00 0.00 H new ATOM 0 HB3 SER A 2 -12.472 -18.356 -13.965 1.00 0.00 H new ATOM 0 HG SER A 2 -14.347 -17.831 -15.224 1.00 0.00 H new ATOM 19 N SER A 3 -11.877 -18.477 -10.280 1.00 0.00 N ATOM 20 CA SER A 3 -10.651 -18.336 -9.503 1.00 0.00 C ATOM 21 C SER A 3 -10.134 -19.699 -9.052 1.00 0.00 C ATOM 22 O SER A 3 -10.777 -20.724 -9.275 1.00 0.00 O ATOM 23 CB SER A 3 -10.893 -17.442 -8.286 1.00 0.00 C ATOM 24 OG SER A 3 -11.640 -18.123 -7.293 1.00 0.00 O ATOM 0 H SER A 3 -12.522 -19.184 -9.926 1.00 0.00 H new ATOM 0 HA SER A 3 -9.898 -17.873 -10.140 1.00 0.00 H new ATOM 0 HB2 SER A 3 -9.938 -17.121 -7.871 1.00 0.00 H new ATOM 0 HB3 SER A 3 -11.426 -16.542 -8.592 1.00 0.00 H new ATOM 0 HG SER A 3 -12.392 -17.563 -7.008 1.00 0.00 H new ATOM 30 N GLY A 4 -8.966 -19.702 -8.417 1.00 0.00 N ATOM 31 CA GLY A 4 -8.381 -20.943 -7.945 1.00 0.00 C ATOM 32 C GLY A 4 -7.151 -20.716 -7.088 1.00 0.00 C ATOM 33 O GLY A 4 -6.621 -19.606 -7.034 1.00 0.00 O ATOM 0 H GLY A 4 -8.414 -18.867 -8.221 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -9.124 -21.495 -7.370 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -8.114 -21.564 -8.800 1.00 0.00 H new ATOM 37 N SER A 5 -6.698 -21.768 -6.415 1.00 0.00 N ATOM 38 CA SER A 5 -5.526 -21.677 -5.552 1.00 0.00 C ATOM 39 C SER A 5 -4.505 -22.754 -5.906 1.00 0.00 C ATOM 40 O SER A 5 -3.908 -23.373 -5.026 1.00 0.00 O ATOM 41 CB SER A 5 -5.936 -21.810 -4.084 1.00 0.00 C ATOM 42 OG SER A 5 -4.819 -21.655 -3.227 1.00 0.00 O ATOM 0 H SER A 5 -7.125 -22.694 -6.450 1.00 0.00 H new ATOM 0 HA SER A 5 -5.067 -20.701 -5.707 1.00 0.00 H new ATOM 0 HB2 SER A 5 -6.689 -21.060 -3.844 1.00 0.00 H new ATOM 0 HB3 SER A 5 -6.393 -22.785 -3.918 1.00 0.00 H new ATOM 0 HG SER A 5 -4.153 -22.344 -3.430 1.00 0.00 H new ATOM 48 N SER A 6 -4.311 -22.972 -7.203 1.00 0.00 N ATOM 49 CA SER A 6 -3.365 -23.977 -7.676 1.00 0.00 C ATOM 50 C SER A 6 -1.971 -23.718 -7.112 1.00 0.00 C ATOM 51 O SER A 6 -1.285 -24.641 -6.675 1.00 0.00 O ATOM 52 CB SER A 6 -3.316 -23.982 -9.205 1.00 0.00 C ATOM 53 OG SER A 6 -4.509 -24.518 -9.751 1.00 0.00 O ATOM 0 H SER A 6 -4.796 -22.467 -7.945 1.00 0.00 H new ATOM 0 HA SER A 6 -3.704 -24.953 -7.327 1.00 0.00 H new ATOM 0 HB2 SER A 6 -3.169 -22.966 -9.571 1.00 0.00 H new ATOM 0 HB3 SER A 6 -2.462 -24.569 -9.543 1.00 0.00 H new ATOM 0 HG SER A 6 -4.454 -24.509 -10.729 1.00 0.00 H new ATOM 59 N GLY A 7 -1.559 -22.454 -7.125 1.00 0.00 N ATOM 60 CA GLY A 7 -0.249 -22.096 -6.614 1.00 0.00 C ATOM 61 C GLY A 7 0.160 -22.941 -5.423 1.00 0.00 C ATOM 62 O GLY A 7 1.290 -23.422 -5.355 1.00 0.00 O ATOM 0 H GLY A 7 -2.109 -21.672 -7.480 1.00 0.00 H new ATOM 0 HA2 GLY A 7 0.490 -22.209 -7.407 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -0.249 -21.045 -6.327 1.00 0.00 H new ATOM 66 N GLU A 8 -0.762 -23.121 -4.483 1.00 0.00 N ATOM 67 CA GLU A 8 -0.490 -23.912 -3.288 1.00 0.00 C ATOM 68 C GLU A 8 -1.778 -24.205 -2.524 1.00 0.00 C ATOM 69 O GLU A 8 -2.843 -23.692 -2.865 1.00 0.00 O ATOM 70 CB GLU A 8 0.500 -23.179 -2.379 1.00 0.00 C ATOM 71 CG GLU A 8 0.097 -21.747 -2.070 1.00 0.00 C ATOM 72 CD GLU A 8 1.203 -20.964 -1.391 1.00 0.00 C ATOM 73 OE1 GLU A 8 1.303 -21.035 -0.148 1.00 0.00 O ATOM 74 OE2 GLU A 8 1.969 -20.279 -2.102 1.00 0.00 O ATOM 0 H GLU A 8 -1.703 -22.730 -4.525 1.00 0.00 H new ATOM 0 HA GLU A 8 -0.051 -24.859 -3.602 1.00 0.00 H new ATOM 0 HB2 GLU A 8 0.598 -23.730 -1.444 1.00 0.00 H new ATOM 0 HB3 GLU A 8 1.482 -23.177 -2.852 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -0.183 -21.245 -2.996 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -0.785 -21.752 -1.430 1.00 0.00 H new ATOM 81 N GLU A 9 -1.670 -25.034 -1.490 1.00 0.00 N ATOM 82 CA GLU A 9 -2.826 -25.396 -0.679 1.00 0.00 C ATOM 83 C GLU A 9 -2.996 -24.430 0.490 1.00 0.00 C ATOM 84 O GLU A 9 -4.110 -24.018 0.812 1.00 0.00 O ATOM 85 CB GLU A 9 -2.682 -26.827 -0.156 1.00 0.00 C ATOM 86 CG GLU A 9 -2.627 -27.874 -1.255 1.00 0.00 C ATOM 87 CD GLU A 9 -4.005 -28.337 -1.689 1.00 0.00 C ATOM 88 OE1 GLU A 9 -4.957 -28.195 -0.893 1.00 0.00 O ATOM 89 OE2 GLU A 9 -4.130 -28.840 -2.825 1.00 0.00 O ATOM 0 H GLU A 9 -0.795 -25.467 -1.195 1.00 0.00 H new ATOM 0 HA GLU A 9 -3.713 -25.335 -1.310 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -1.775 -26.896 0.445 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -3.520 -27.049 0.505 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -2.098 -27.465 -2.115 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -2.053 -28.732 -0.906 1.00 0.00 H new ATOM 96 N ASP A 10 -1.882 -24.073 1.120 1.00 0.00 N ATOM 97 CA ASP A 10 -1.906 -23.155 2.253 1.00 0.00 C ATOM 98 C ASP A 10 -1.715 -21.715 1.789 1.00 0.00 C ATOM 99 O ASP A 10 -0.784 -21.411 1.044 1.00 0.00 O ATOM 100 CB ASP A 10 -0.818 -23.528 3.262 1.00 0.00 C ATOM 101 CG ASP A 10 0.579 -23.337 2.703 1.00 0.00 C ATOM 102 OD1 ASP A 10 1.021 -24.192 1.908 1.00 0.00 O ATOM 103 OD2 ASP A 10 1.230 -22.334 3.063 1.00 0.00 O ATOM 0 H ASP A 10 -0.952 -24.405 0.866 1.00 0.00 H new ATOM 0 HA ASP A 10 -2.880 -23.236 2.735 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -0.934 -22.919 4.159 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -0.947 -24.568 3.563 1.00 0.00 H new ATOM 108 N TRP A 11 -2.603 -20.833 2.235 1.00 0.00 N ATOM 109 CA TRP A 11 -2.533 -19.424 1.864 1.00 0.00 C ATOM 110 C TRP A 11 -3.398 -18.574 2.788 1.00 0.00 C ATOM 111 O TRP A 11 -4.623 -18.702 2.798 1.00 0.00 O ATOM 112 CB TRP A 11 -2.976 -19.235 0.412 1.00 0.00 C ATOM 113 CG TRP A 11 -2.326 -18.063 -0.259 1.00 0.00 C ATOM 114 CD1 TRP A 11 -1.168 -17.442 0.115 1.00 0.00 C ATOM 115 CD2 TRP A 11 -2.798 -17.370 -1.420 1.00 0.00 C ATOM 116 NE1 TRP A 11 -0.892 -16.406 -0.743 1.00 0.00 N ATOM 117 CE2 TRP A 11 -1.876 -16.341 -1.694 1.00 0.00 C ATOM 118 CE3 TRP A 11 -3.908 -17.521 -2.255 1.00 0.00 C ATOM 119 CZ2 TRP A 11 -2.033 -15.468 -2.767 1.00 0.00 C ATOM 120 CZ3 TRP A 11 -4.063 -16.653 -3.320 1.00 0.00 C ATOM 121 CH2 TRP A 11 -3.129 -15.638 -3.569 1.00 0.00 C ATOM 0 H TRP A 11 -3.379 -21.068 2.853 1.00 0.00 H new ATOM 0 HA TRP A 11 -1.498 -19.098 1.966 1.00 0.00 H new ATOM 0 HB2 TRP A 11 -2.747 -20.140 -0.151 1.00 0.00 H new ATOM 0 HB3 TRP A 11 -4.058 -19.107 0.383 1.00 0.00 H new ATOM 0 HD1 TRP A 11 -0.559 -17.724 0.961 1.00 0.00 H new ATOM 0 HE1 TRP A 11 -0.085 -15.785 -0.682 1.00 0.00 H new ATOM 0 HE3 TRP A 11 -4.632 -18.301 -2.072 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 -1.315 -14.684 -2.960 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 -4.918 -16.759 -3.971 1.00 0.00 H new ATOM 0 HH2 TRP A 11 -3.277 -14.977 -4.410 1.00 0.00 H new ATOM 132 N VAL A 12 -2.755 -17.707 3.562 1.00 0.00 N ATOM 133 CA VAL A 12 -3.467 -16.835 4.489 1.00 0.00 C ATOM 134 C VAL A 12 -4.038 -15.618 3.769 1.00 0.00 C ATOM 135 O VAL A 12 -5.029 -15.032 4.209 1.00 0.00 O ATOM 136 CB VAL A 12 -2.549 -16.358 5.630 1.00 0.00 C ATOM 137 CG1 VAL A 12 -1.886 -17.545 6.313 1.00 0.00 C ATOM 138 CG2 VAL A 12 -1.505 -15.386 5.102 1.00 0.00 C ATOM 0 H VAL A 12 -1.742 -17.589 3.566 1.00 0.00 H new ATOM 0 HA VAL A 12 -4.283 -17.421 4.911 1.00 0.00 H new ATOM 0 HB VAL A 12 -3.157 -15.837 6.369 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -1.241 -17.189 7.116 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -2.652 -18.201 6.726 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -1.289 -18.096 5.586 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -0.865 -15.059 5.921 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -0.899 -15.880 4.343 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -2.002 -14.521 4.663 1.00 0.00 H new ATOM 148 N LEU A 13 -3.409 -15.243 2.661 1.00 0.00 N ATOM 149 CA LEU A 13 -3.855 -14.096 1.879 1.00 0.00 C ATOM 150 C LEU A 13 -5.375 -14.081 1.751 1.00 0.00 C ATOM 151 O LEU A 13 -6.039 -13.093 2.065 1.00 0.00 O ATOM 152 CB LEU A 13 -3.215 -14.121 0.489 1.00 0.00 C ATOM 153 CG LEU A 13 -3.922 -13.300 -0.590 1.00 0.00 C ATOM 154 CD1 LEU A 13 -4.917 -14.162 -1.351 1.00 0.00 C ATOM 155 CD2 LEU A 13 -4.619 -12.096 0.027 1.00 0.00 C ATOM 0 H LEU A 13 -2.588 -15.717 2.284 1.00 0.00 H new ATOM 0 HA LEU A 13 -3.544 -13.190 2.400 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -2.189 -13.762 0.577 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -3.163 -15.157 0.153 1.00 0.00 H new ATOM 0 HG LEU A 13 -3.172 -12.939 -1.294 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -5.410 -13.560 -2.115 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -4.392 -14.991 -1.825 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -5.663 -14.553 -0.659 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -5.117 -11.523 -0.755 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -5.357 -12.436 0.753 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -3.883 -11.465 0.526 1.00 0.00 H new ATOM 167 N PRO A 14 -5.940 -15.203 1.281 1.00 0.00 N ATOM 168 CA PRO A 14 -7.388 -15.345 1.104 1.00 0.00 C ATOM 169 C PRO A 14 -8.131 -15.411 2.434 1.00 0.00 C ATOM 170 O PRO A 14 -9.220 -14.855 2.576 1.00 0.00 O ATOM 171 CB PRO A 14 -7.525 -16.669 0.349 1.00 0.00 C ATOM 172 CG PRO A 14 -6.300 -17.438 0.708 1.00 0.00 C ATOM 173 CD PRO A 14 -5.209 -16.419 0.887 1.00 0.00 C ATOM 0 HA PRO A 14 -7.820 -14.493 0.579 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -8.428 -17.202 0.645 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -7.589 -16.506 -0.727 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -6.453 -18.011 1.623 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -6.043 -18.151 -0.075 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -4.495 -16.725 1.652 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -4.645 -16.268 -0.033 1.00 0.00 H new ATOM 181 N SER A 15 -7.535 -16.094 3.407 1.00 0.00 N ATOM 182 CA SER A 15 -8.143 -16.235 4.725 1.00 0.00 C ATOM 183 C SER A 15 -8.366 -14.870 5.369 1.00 0.00 C ATOM 184 O SER A 15 -9.192 -14.725 6.269 1.00 0.00 O ATOM 185 CB SER A 15 -7.260 -17.099 5.627 1.00 0.00 C ATOM 186 OG SER A 15 -7.852 -17.275 6.902 1.00 0.00 O ATOM 0 H SER A 15 -6.632 -16.558 3.307 1.00 0.00 H new ATOM 0 HA SER A 15 -9.111 -16.722 4.602 1.00 0.00 H new ATOM 0 HB2 SER A 15 -7.099 -18.071 5.160 1.00 0.00 H new ATOM 0 HB3 SER A 15 -6.281 -16.632 5.738 1.00 0.00 H new ATOM 0 HG SER A 15 -7.269 -17.832 7.459 1.00 0.00 H new ATOM 192 N GLU A 16 -7.622 -13.873 4.901 1.00 0.00 N ATOM 193 CA GLU A 16 -7.737 -12.520 5.432 1.00 0.00 C ATOM 194 C GLU A 16 -8.780 -11.718 4.657 1.00 0.00 C ATOM 195 O GLU A 16 -9.501 -10.900 5.229 1.00 0.00 O ATOM 196 CB GLU A 16 -6.384 -11.808 5.373 1.00 0.00 C ATOM 197 CG GLU A 16 -5.543 -11.995 6.625 1.00 0.00 C ATOM 198 CD GLU A 16 -5.626 -13.405 7.178 1.00 0.00 C ATOM 199 OE1 GLU A 16 -5.083 -14.326 6.533 1.00 0.00 O ATOM 200 OE2 GLU A 16 -6.233 -13.586 8.254 1.00 0.00 O ATOM 0 H GLU A 16 -6.934 -13.977 4.156 1.00 0.00 H new ATOM 0 HA GLU A 16 -8.057 -12.591 6.472 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -5.826 -12.177 4.512 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -6.550 -10.743 5.213 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -4.503 -11.758 6.399 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -5.872 -11.289 7.388 1.00 0.00 H new ATOM 207 N VAL A 17 -8.853 -11.959 3.352 1.00 0.00 N ATOM 208 CA VAL A 17 -9.807 -11.262 2.498 1.00 0.00 C ATOM 209 C VAL A 17 -11.236 -11.465 2.989 1.00 0.00 C ATOM 210 O VAL A 17 -11.977 -10.503 3.186 1.00 0.00 O ATOM 211 CB VAL A 17 -9.705 -11.738 1.037 1.00 0.00 C ATOM 212 CG1 VAL A 17 -10.837 -11.155 0.205 1.00 0.00 C ATOM 213 CG2 VAL A 17 -8.353 -11.366 0.448 1.00 0.00 C ATOM 0 H VAL A 17 -8.263 -12.632 2.863 1.00 0.00 H new ATOM 0 HA VAL A 17 -9.557 -10.202 2.545 1.00 0.00 H new ATOM 0 HB VAL A 17 -9.796 -12.824 1.020 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -10.748 -11.502 -0.824 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -11.794 -11.477 0.616 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -10.781 -10.067 0.227 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -8.299 -11.710 -0.585 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -8.229 -10.283 0.477 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -7.561 -11.837 1.030 1.00 0.00 H new ATOM 223 N GLU A 18 -11.615 -12.724 3.185 1.00 0.00 N ATOM 224 CA GLU A 18 -12.956 -13.053 3.654 1.00 0.00 C ATOM 225 C GLU A 18 -13.396 -12.098 4.760 1.00 0.00 C ATOM 226 O GLU A 18 -14.575 -11.765 4.875 1.00 0.00 O ATOM 227 CB GLU A 18 -13.003 -14.495 4.162 1.00 0.00 C ATOM 228 CG GLU A 18 -12.541 -14.649 5.601 1.00 0.00 C ATOM 229 CD GLU A 18 -12.783 -16.043 6.146 1.00 0.00 C ATOM 230 OE1 GLU A 18 -12.800 -17.000 5.343 1.00 0.00 O ATOM 231 OE2 GLU A 18 -12.954 -16.177 7.376 1.00 0.00 O ATOM 0 H GLU A 18 -11.013 -13.532 3.026 1.00 0.00 H new ATOM 0 HA GLU A 18 -13.642 -12.949 2.814 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -14.023 -14.869 4.075 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -12.379 -15.118 3.521 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -11.478 -14.418 5.664 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -13.062 -13.923 6.225 1.00 0.00 H new ATOM 238 N VAL A 19 -12.438 -11.661 5.571 1.00 0.00 N ATOM 239 CA VAL A 19 -12.725 -10.744 6.668 1.00 0.00 C ATOM 240 C VAL A 19 -12.662 -9.293 6.202 1.00 0.00 C ATOM 241 O VAL A 19 -13.555 -8.496 6.495 1.00 0.00 O ATOM 242 CB VAL A 19 -11.740 -10.939 7.836 1.00 0.00 C ATOM 243 CG1 VAL A 19 -12.008 -9.924 8.936 1.00 0.00 C ATOM 244 CG2 VAL A 19 -11.829 -12.359 8.375 1.00 0.00 C ATOM 0 H VAL A 19 -11.457 -11.927 5.489 1.00 0.00 H new ATOM 0 HA VAL A 19 -13.734 -10.969 7.012 1.00 0.00 H new ATOM 0 HB VAL A 19 -10.727 -10.778 7.466 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -11.302 -10.077 9.752 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -11.889 -8.916 8.538 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -13.025 -10.050 9.307 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -11.127 -12.480 9.200 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -12.842 -12.551 8.730 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -11.583 -13.065 7.582 1.00 0.00 H new ATOM 254 N LEU A 20 -11.602 -8.957 5.475 1.00 0.00 N ATOM 255 CA LEU A 20 -11.422 -7.601 4.967 1.00 0.00 C ATOM 256 C LEU A 20 -12.599 -7.188 4.089 1.00 0.00 C ATOM 257 O LEU A 20 -12.878 -6.000 3.928 1.00 0.00 O ATOM 258 CB LEU A 20 -10.118 -7.502 4.173 1.00 0.00 C ATOM 259 CG LEU A 20 -8.829 -7.669 4.977 1.00 0.00 C ATOM 260 CD1 LEU A 20 -7.679 -8.068 4.065 1.00 0.00 C ATOM 261 CD2 LEU A 20 -8.497 -6.387 5.726 1.00 0.00 C ATOM 0 H LEU A 20 -10.855 -9.604 5.224 1.00 0.00 H new ATOM 0 HA LEU A 20 -11.373 -6.923 5.819 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -10.135 -8.260 3.389 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -10.090 -6.532 3.678 1.00 0.00 H new ATOM 0 HG LEU A 20 -8.980 -8.464 5.707 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -6.770 -8.182 4.655 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -7.914 -9.012 3.574 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -7.528 -7.295 3.311 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -7.576 -6.525 6.293 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -8.366 -5.573 5.013 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -9.311 -6.144 6.409 1.00 0.00 H new ATOM 273 N GLU A 21 -13.285 -8.177 3.525 1.00 0.00 N ATOM 274 CA GLU A 21 -14.433 -7.915 2.664 1.00 0.00 C ATOM 275 C GLU A 21 -15.656 -7.530 3.490 1.00 0.00 C ATOM 276 O GLU A 21 -16.451 -6.682 3.084 1.00 0.00 O ATOM 277 CB GLU A 21 -14.748 -9.144 1.808 1.00 0.00 C ATOM 278 CG GLU A 21 -13.783 -9.344 0.652 1.00 0.00 C ATOM 279 CD GLU A 21 -14.269 -10.382 -0.341 1.00 0.00 C ATOM 280 OE1 GLU A 21 -15.443 -10.297 -0.760 1.00 0.00 O ATOM 281 OE2 GLU A 21 -13.477 -11.279 -0.698 1.00 0.00 O ATOM 0 H GLU A 21 -13.066 -9.166 3.648 1.00 0.00 H new ATOM 0 HA GLU A 21 -14.181 -7.081 2.010 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -14.732 -10.031 2.441 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -15.760 -9.052 1.414 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -13.637 -8.394 0.137 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -12.812 -9.647 1.043 1.00 0.00 H new ATOM 288 N SER A 22 -15.801 -8.159 4.652 1.00 0.00 N ATOM 289 CA SER A 22 -16.929 -7.886 5.534 1.00 0.00 C ATOM 290 C SER A 22 -16.832 -6.482 6.122 1.00 0.00 C ATOM 291 O SER A 22 -17.847 -5.832 6.376 1.00 0.00 O ATOM 292 CB SER A 22 -16.985 -8.920 6.660 1.00 0.00 C ATOM 293 OG SER A 22 -16.892 -10.238 6.148 1.00 0.00 O ATOM 0 H SER A 22 -15.151 -8.861 5.004 1.00 0.00 H new ATOM 0 HA SER A 22 -17.843 -7.951 4.944 1.00 0.00 H new ATOM 0 HB2 SER A 22 -16.171 -8.741 7.363 1.00 0.00 H new ATOM 0 HB3 SER A 22 -17.916 -8.807 7.215 1.00 0.00 H new ATOM 0 HG SER A 22 -15.961 -10.433 5.913 1.00 0.00 H new ATOM 299 N ILE A 23 -15.604 -6.020 6.335 1.00 0.00 N ATOM 300 CA ILE A 23 -15.374 -4.693 6.891 1.00 0.00 C ATOM 301 C ILE A 23 -15.290 -3.642 5.790 1.00 0.00 C ATOM 302 O ILE A 23 -16.035 -2.662 5.794 1.00 0.00 O ATOM 303 CB ILE A 23 -14.081 -4.650 7.727 1.00 0.00 C ATOM 304 CG1 ILE A 23 -14.162 -5.647 8.884 1.00 0.00 C ATOM 305 CG2 ILE A 23 -13.835 -3.242 8.250 1.00 0.00 C ATOM 306 CD1 ILE A 23 -12.809 -6.069 9.414 1.00 0.00 C ATOM 0 H ILE A 23 -14.754 -6.545 6.131 1.00 0.00 H new ATOM 0 HA ILE A 23 -16.223 -4.470 7.537 1.00 0.00 H new ATOM 0 HB ILE A 23 -13.244 -4.931 7.088 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -14.739 -5.203 9.696 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -14.706 -6.532 8.553 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -12.918 -3.228 8.839 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -13.738 -2.554 7.410 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -14.673 -2.935 8.876 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -12.943 -6.776 10.232 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -12.237 -6.542 8.616 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -12.271 -5.193 9.776 1.00 0.00 H new ATOM 318 N TYR A 24 -14.378 -3.853 4.847 1.00 0.00 N ATOM 319 CA TYR A 24 -14.195 -2.924 3.739 1.00 0.00 C ATOM 320 C TYR A 24 -14.890 -3.434 2.480 1.00 0.00 C ATOM 321 O TYR A 24 -14.364 -3.311 1.373 1.00 0.00 O ATOM 322 CB TYR A 24 -12.706 -2.713 3.462 1.00 0.00 C ATOM 323 CG TYR A 24 -11.883 -2.495 4.712 1.00 0.00 C ATOM 324 CD1 TYR A 24 -12.105 -1.395 5.531 1.00 0.00 C ATOM 325 CD2 TYR A 24 -10.884 -3.391 5.074 1.00 0.00 C ATOM 326 CE1 TYR A 24 -11.355 -1.192 6.673 1.00 0.00 C ATOM 327 CE2 TYR A 24 -10.130 -3.197 6.216 1.00 0.00 C ATOM 328 CZ TYR A 24 -10.369 -2.096 7.011 1.00 0.00 C ATOM 329 OH TYR A 24 -9.621 -1.898 8.149 1.00 0.00 O ATOM 0 H TYR A 24 -13.754 -4.660 4.828 1.00 0.00 H new ATOM 0 HA TYR A 24 -14.644 -1.971 4.020 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -12.318 -3.580 2.928 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -12.586 -1.853 2.803 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -12.877 -0.686 5.270 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -10.694 -4.253 4.452 1.00 0.00 H new ATOM 0 HE1 TYR A 24 -11.539 -0.331 7.298 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -9.358 -3.903 6.484 1.00 0.00 H new ATOM 0 HH TYR A 24 -9.330 -2.764 8.504 1.00 0.00 H new ATOM 339 N LEU A 25 -16.076 -4.006 2.657 1.00 0.00 N ATOM 340 CA LEU A 25 -16.846 -4.535 1.537 1.00 0.00 C ATOM 341 C LEU A 25 -16.801 -3.582 0.347 1.00 0.00 C ATOM 342 O LEU A 25 -16.470 -3.981 -0.769 1.00 0.00 O ATOM 343 CB LEU A 25 -18.297 -4.775 1.958 1.00 0.00 C ATOM 344 CG LEU A 25 -18.920 -3.708 2.857 1.00 0.00 C ATOM 345 CD1 LEU A 25 -19.629 -2.653 2.021 1.00 0.00 C ATOM 346 CD2 LEU A 25 -19.885 -4.342 3.848 1.00 0.00 C ATOM 0 H LEU A 25 -16.525 -4.115 3.566 1.00 0.00 H new ATOM 0 HA LEU A 25 -16.400 -5.483 1.237 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -18.905 -4.864 1.058 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -18.351 -5.733 2.475 1.00 0.00 H new ATOM 0 HG LEU A 25 -18.122 -3.222 3.418 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -20.067 -1.902 2.678 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -18.912 -2.177 1.352 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -20.417 -3.124 1.433 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -20.319 -3.567 4.480 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -20.679 -4.855 3.305 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -19.349 -5.059 4.470 1.00 0.00 H new ATOM 358 N ASP A 26 -17.134 -2.319 0.594 1.00 0.00 N ATOM 359 CA ASP A 26 -17.128 -1.308 -0.456 1.00 0.00 C ATOM 360 C ASP A 26 -15.889 -0.425 -0.353 1.00 0.00 C ATOM 361 O ASP A 26 -15.257 -0.106 -1.360 1.00 0.00 O ATOM 362 CB ASP A 26 -18.390 -0.448 -0.372 1.00 0.00 C ATOM 363 CG ASP A 26 -18.639 0.341 -1.643 1.00 0.00 C ATOM 364 OD1 ASP A 26 -18.757 -0.285 -2.717 1.00 0.00 O ATOM 365 OD2 ASP A 26 -18.717 1.585 -1.562 1.00 0.00 O ATOM 0 H ASP A 26 -17.411 -1.972 1.512 1.00 0.00 H new ATOM 0 HA ASP A 26 -17.109 -1.819 -1.418 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -19.249 -1.088 -0.171 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -18.302 0.241 0.468 1.00 0.00 H new ATOM 370 N GLU A 27 -15.547 -0.032 0.870 1.00 0.00 N ATOM 371 CA GLU A 27 -14.384 0.816 1.103 1.00 0.00 C ATOM 372 C GLU A 27 -13.166 0.288 0.350 1.00 0.00 C ATOM 373 O GLU A 27 -12.281 1.053 -0.035 1.00 0.00 O ATOM 374 CB GLU A 27 -14.076 0.897 2.599 1.00 0.00 C ATOM 375 CG GLU A 27 -15.176 1.559 3.412 1.00 0.00 C ATOM 376 CD GLU A 27 -14.657 2.196 4.687 1.00 0.00 C ATOM 377 OE1 GLU A 27 -14.139 3.330 4.614 1.00 0.00 O ATOM 378 OE2 GLU A 27 -14.769 1.562 5.756 1.00 0.00 O ATOM 0 H GLU A 27 -16.059 -0.287 1.715 1.00 0.00 H new ATOM 0 HA GLU A 27 -14.614 1.815 0.732 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -13.909 -0.110 2.982 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -13.148 1.450 2.741 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -15.665 2.320 2.803 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -15.934 0.817 3.663 1.00 0.00 H new ATOM 385 N LEU A 28 -13.129 -1.024 0.144 1.00 0.00 N ATOM 386 CA LEU A 28 -12.020 -1.655 -0.563 1.00 0.00 C ATOM 387 C LEU A 28 -12.530 -2.671 -1.580 1.00 0.00 C ATOM 388 O LEU A 28 -13.617 -3.228 -1.423 1.00 0.00 O ATOM 389 CB LEU A 28 -11.080 -2.340 0.431 1.00 0.00 C ATOM 390 CG LEU A 28 -10.276 -3.522 -0.111 1.00 0.00 C ATOM 391 CD1 LEU A 28 -8.983 -3.692 0.672 1.00 0.00 C ATOM 392 CD2 LEU A 28 -11.104 -4.798 -0.060 1.00 0.00 C ATOM 0 H LEU A 28 -13.853 -1.671 0.456 1.00 0.00 H new ATOM 0 HA LEU A 28 -11.472 -0.878 -1.096 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -10.381 -1.595 0.812 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -11.670 -2.686 1.279 1.00 0.00 H new ATOM 0 HG LEU A 28 -10.023 -3.318 -1.151 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -8.424 -4.538 0.272 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -8.383 -2.786 0.584 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -9.214 -3.874 1.722 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -10.516 -5.629 -0.450 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -11.388 -5.006 0.972 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -12.002 -4.674 -0.665 1.00 0.00 H new ATOM 404 N GLN A 29 -11.738 -2.909 -2.620 1.00 0.00 N ATOM 405 CA GLN A 29 -12.110 -3.859 -3.662 1.00 0.00 C ATOM 406 C GLN A 29 -11.064 -4.962 -3.791 1.00 0.00 C ATOM 407 O GLN A 29 -9.886 -4.751 -3.503 1.00 0.00 O ATOM 408 CB GLN A 29 -12.278 -3.140 -5.001 1.00 0.00 C ATOM 409 CG GLN A 29 -13.668 -2.562 -5.211 1.00 0.00 C ATOM 410 CD GLN A 29 -14.748 -3.626 -5.214 1.00 0.00 C ATOM 411 OE1 GLN A 29 -14.696 -4.578 -5.993 1.00 0.00 O ATOM 412 NE2 GLN A 29 -15.736 -3.469 -4.340 1.00 0.00 N ATOM 0 H GLN A 29 -10.835 -2.457 -2.764 1.00 0.00 H new ATOM 0 HA GLN A 29 -13.060 -4.315 -3.381 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -11.545 -2.336 -5.066 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -12.058 -3.838 -5.809 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -13.879 -1.838 -4.424 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -13.693 -2.021 -6.157 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -15.739 -2.665 -3.713 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -16.492 -4.153 -4.296 1.00 0.00 H new ATOM 421 N VAL A 30 -11.503 -6.139 -4.226 1.00 0.00 N ATOM 422 CA VAL A 30 -10.605 -7.275 -4.394 1.00 0.00 C ATOM 423 C VAL A 30 -10.847 -7.974 -5.727 1.00 0.00 C ATOM 424 O VAL A 30 -11.985 -8.086 -6.183 1.00 0.00 O ATOM 425 CB VAL A 30 -10.772 -8.296 -3.253 1.00 0.00 C ATOM 426 CG1 VAL A 30 -9.984 -9.563 -3.551 1.00 0.00 C ATOM 427 CG2 VAL A 30 -10.339 -7.689 -1.928 1.00 0.00 C ATOM 0 H VAL A 30 -12.475 -6.330 -4.468 1.00 0.00 H new ATOM 0 HA VAL A 30 -9.589 -6.881 -4.373 1.00 0.00 H new ATOM 0 HB VAL A 30 -11.826 -8.562 -3.178 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -10.114 -10.273 -2.734 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -10.346 -10.007 -4.478 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -8.927 -9.318 -3.654 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -10.464 -8.424 -1.133 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -9.291 -7.394 -1.988 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -10.951 -6.813 -1.712 1.00 0.00 H new ATOM 437 N ILE A 31 -9.769 -8.443 -6.347 1.00 0.00 N ATOM 438 CA ILE A 31 -9.865 -9.133 -7.628 1.00 0.00 C ATOM 439 C ILE A 31 -9.128 -10.467 -7.589 1.00 0.00 C ATOM 440 O ILE A 31 -8.068 -10.586 -6.974 1.00 0.00 O ATOM 441 CB ILE A 31 -9.295 -8.277 -8.773 1.00 0.00 C ATOM 442 CG1 ILE A 31 -9.941 -6.890 -8.773 1.00 0.00 C ATOM 443 CG2 ILE A 31 -9.512 -8.968 -10.111 1.00 0.00 C ATOM 444 CD1 ILE A 31 -11.396 -6.902 -9.188 1.00 0.00 C ATOM 0 H ILE A 31 -8.820 -8.358 -5.983 1.00 0.00 H new ATOM 0 HA ILE A 31 -10.924 -9.311 -7.812 1.00 0.00 H new ATOM 0 HB ILE A 31 -8.223 -8.158 -8.618 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -9.860 -6.460 -7.775 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -9.384 -6.239 -9.447 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -9.103 -8.350 -10.910 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -9.009 -9.935 -10.107 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -10.579 -9.115 -10.276 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -11.789 -5.886 -9.165 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -11.483 -7.302 -10.198 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -11.965 -7.527 -8.500 1.00 0.00 H new ATOM 456 N LYS A 32 -9.694 -11.469 -8.253 1.00 0.00 N ATOM 457 CA LYS A 32 -9.090 -12.796 -8.299 1.00 0.00 C ATOM 458 C LYS A 32 -8.455 -13.057 -9.661 1.00 0.00 C ATOM 459 O LYS A 32 -9.071 -12.824 -10.699 1.00 0.00 O ATOM 460 CB LYS A 32 -10.140 -13.868 -8.000 1.00 0.00 C ATOM 461 CG LYS A 32 -10.711 -13.784 -6.595 1.00 0.00 C ATOM 462 CD LYS A 32 -11.583 -14.986 -6.275 1.00 0.00 C ATOM 463 CE LYS A 32 -12.143 -14.909 -4.863 1.00 0.00 C ATOM 464 NZ LYS A 32 -13.416 -15.670 -4.728 1.00 0.00 N ATOM 0 H LYS A 32 -10.571 -11.387 -8.767 1.00 0.00 H new ATOM 0 HA LYS A 32 -8.310 -12.839 -7.539 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -10.954 -13.779 -8.720 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -9.694 -14.852 -8.144 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -9.896 -13.722 -5.873 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -11.297 -12.871 -6.493 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -12.404 -15.042 -6.990 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -11.000 -15.900 -6.387 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -11.409 -15.302 -4.159 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -12.314 -13.866 -4.597 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -13.765 -15.593 -3.751 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -14.125 -15.279 -5.381 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -13.248 -16.670 -4.957 1.00 0.00 H new ATOM 478 N GLY A 33 -7.218 -13.546 -9.649 1.00 0.00 N ATOM 479 CA GLY A 33 -6.521 -13.833 -10.889 1.00 0.00 C ATOM 480 C GLY A 33 -6.405 -12.614 -11.783 1.00 0.00 C ATOM 481 O GLY A 33 -7.402 -12.131 -12.318 1.00 0.00 O ATOM 0 H GLY A 33 -6.687 -13.748 -8.802 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -5.524 -14.210 -10.663 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -7.047 -14.624 -11.424 1.00 0.00 H new ATOM 485 N ASN A 34 -5.184 -12.116 -11.946 1.00 0.00 N ATOM 486 CA ASN A 34 -4.941 -10.945 -12.780 1.00 0.00 C ATOM 487 C ASN A 34 -3.738 -11.167 -13.693 1.00 0.00 C ATOM 488 O ASN A 34 -3.880 -11.263 -14.911 1.00 0.00 O ATOM 489 CB ASN A 34 -4.712 -9.709 -11.907 1.00 0.00 C ATOM 490 CG ASN A 34 -4.048 -8.578 -12.669 1.00 0.00 C ATOM 491 OD1 ASN A 34 -4.598 -8.065 -13.644 1.00 0.00 O ATOM 492 ND2 ASN A 34 -2.860 -8.184 -12.226 1.00 0.00 N ATOM 0 H ASN A 34 -4.347 -12.505 -11.511 1.00 0.00 H new ATOM 0 HA ASN A 34 -5.822 -10.784 -13.402 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -5.668 -9.365 -11.511 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -4.092 -9.981 -11.052 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -2.365 -7.427 -12.698 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -2.442 -8.638 -11.414 1.00 0.00 H new ATOM 499 N GLY A 35 -2.554 -11.248 -13.093 1.00 0.00 N ATOM 500 CA GLY A 35 -1.344 -11.458 -13.866 1.00 0.00 C ATOM 501 C GLY A 35 -1.186 -12.897 -14.315 1.00 0.00 C ATOM 502 O GLY A 35 -2.174 -13.591 -14.559 1.00 0.00 O ATOM 0 H GLY A 35 -2.411 -11.172 -12.086 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -1.357 -10.807 -14.740 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -0.480 -11.170 -13.268 1.00 0.00 H new ATOM 506 N ARG A 36 0.060 -13.347 -14.426 1.00 0.00 N ATOM 507 CA ARG A 36 0.344 -14.713 -14.851 1.00 0.00 C ATOM 508 C ARG A 36 0.280 -15.675 -13.669 1.00 0.00 C ATOM 509 O ARG A 36 -0.185 -16.808 -13.800 1.00 0.00 O ATOM 510 CB ARG A 36 1.722 -14.788 -15.510 1.00 0.00 C ATOM 511 CG ARG A 36 1.766 -14.183 -16.903 1.00 0.00 C ATOM 512 CD ARG A 36 2.808 -14.865 -17.775 1.00 0.00 C ATOM 513 NE ARG A 36 3.344 -13.965 -18.793 1.00 0.00 N ATOM 514 CZ ARG A 36 4.135 -14.364 -19.783 1.00 0.00 C ATOM 515 NH1 ARG A 36 4.479 -15.640 -19.888 1.00 0.00 N ATOM 516 NH2 ARG A 36 4.583 -13.485 -20.670 1.00 0.00 N ATOM 0 H ARG A 36 0.888 -12.786 -14.228 1.00 0.00 H new ATOM 0 HA ARG A 36 -0.415 -15.006 -15.577 1.00 0.00 H new ATOM 0 HB2 ARG A 36 2.446 -14.275 -14.877 1.00 0.00 H new ATOM 0 HB3 ARG A 36 2.032 -15.832 -15.567 1.00 0.00 H new ATOM 0 HG2 ARG A 36 0.785 -14.271 -17.370 1.00 0.00 H new ATOM 0 HG3 ARG A 36 1.990 -13.119 -16.831 1.00 0.00 H new ATOM 0 HD2 ARG A 36 3.622 -15.230 -17.149 1.00 0.00 H new ATOM 0 HD3 ARG A 36 2.363 -15.735 -18.258 1.00 0.00 H new ATOM 0 HE ARG A 36 3.098 -12.977 -18.741 1.00 0.00 H new ATOM 0 HH11 ARG A 36 4.136 -16.318 -19.208 1.00 0.00 H new ATOM 0 HH12 ARG A 36 5.086 -15.943 -20.649 1.00 0.00 H new ATOM 0 HH21 ARG A 36 4.320 -12.503 -20.592 1.00 0.00 H new ATOM 0 HH22 ARG A 36 5.190 -13.792 -21.430 1.00 0.00 H new ATOM 530 N THR A 37 0.750 -15.217 -12.513 1.00 0.00 N ATOM 531 CA THR A 37 0.748 -16.036 -11.308 1.00 0.00 C ATOM 532 C THR A 37 -0.599 -15.968 -10.598 1.00 0.00 C ATOM 533 O THR A 37 -0.680 -16.143 -9.382 1.00 0.00 O ATOM 534 CB THR A 37 1.855 -15.599 -10.329 1.00 0.00 C ATOM 535 OG1 THR A 37 2.031 -16.592 -9.313 1.00 0.00 O ATOM 536 CG2 THR A 37 1.511 -14.264 -9.686 1.00 0.00 C ATOM 0 H THR A 37 1.137 -14.282 -12.386 1.00 0.00 H new ATOM 0 HA THR A 37 0.937 -17.062 -11.624 1.00 0.00 H new ATOM 0 HB THR A 37 2.783 -15.487 -10.890 1.00 0.00 H new ATOM 0 HG1 THR A 37 2.913 -16.484 -8.899 1.00 0.00 H new ATOM 0 HG21 THR A 37 2.306 -13.975 -8.999 1.00 0.00 H new ATOM 0 HG22 THR A 37 1.406 -13.504 -10.460 1.00 0.00 H new ATOM 0 HG23 THR A 37 0.573 -14.355 -9.138 1.00 0.00 H new ATOM 544 N SER A 38 -1.654 -15.711 -11.365 1.00 0.00 N ATOM 545 CA SER A 38 -2.998 -15.616 -10.808 1.00 0.00 C ATOM 546 C SER A 38 -2.976 -14.923 -9.449 1.00 0.00 C ATOM 547 O SER A 38 -3.524 -15.416 -8.463 1.00 0.00 O ATOM 548 CB SER A 38 -3.617 -17.009 -10.672 1.00 0.00 C ATOM 549 OG SER A 38 -3.906 -17.565 -11.943 1.00 0.00 O ATOM 0 H SER A 38 -1.604 -15.565 -12.373 1.00 0.00 H new ATOM 0 HA SER A 38 -3.605 -15.021 -11.490 1.00 0.00 H new ATOM 0 HB2 SER A 38 -2.932 -17.663 -10.132 1.00 0.00 H new ATOM 0 HB3 SER A 38 -4.531 -16.948 -10.082 1.00 0.00 H new ATOM 0 HG SER A 38 -4.299 -18.455 -11.829 1.00 0.00 H new ATOM 555 N PRO A 39 -2.326 -13.751 -9.394 1.00 0.00 N ATOM 556 CA PRO A 39 -2.215 -12.964 -8.163 1.00 0.00 C ATOM 557 C PRO A 39 -3.549 -12.355 -7.742 1.00 0.00 C ATOM 558 O PRO A 39 -4.530 -12.416 -8.483 1.00 0.00 O ATOM 559 CB PRO A 39 -1.219 -11.863 -8.534 1.00 0.00 C ATOM 560 CG PRO A 39 -1.337 -11.727 -10.013 1.00 0.00 C ATOM 561 CD PRO A 39 -1.649 -13.104 -10.531 1.00 0.00 C ATOM 0 HA PRO A 39 -1.901 -13.574 -7.316 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -1.458 -10.927 -8.030 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -0.204 -12.132 -8.241 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -2.125 -11.022 -10.279 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -0.411 -11.348 -10.445 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -2.290 -13.066 -11.412 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -0.744 -13.640 -10.818 1.00 0.00 H new ATOM 569 N TRP A 40 -3.577 -11.769 -6.551 1.00 0.00 N ATOM 570 CA TRP A 40 -4.791 -11.149 -6.033 1.00 0.00 C ATOM 571 C TRP A 40 -4.606 -9.645 -5.866 1.00 0.00 C ATOM 572 O TRP A 40 -3.836 -9.196 -5.018 1.00 0.00 O ATOM 573 CB TRP A 40 -5.179 -11.779 -4.694 1.00 0.00 C ATOM 574 CG TRP A 40 -5.813 -13.130 -4.834 1.00 0.00 C ATOM 575 CD1 TRP A 40 -5.519 -14.080 -5.771 1.00 0.00 C ATOM 576 CD2 TRP A 40 -6.849 -13.680 -4.014 1.00 0.00 C ATOM 577 NE1 TRP A 40 -6.310 -15.187 -5.581 1.00 0.00 N ATOM 578 CE2 TRP A 40 -7.134 -14.967 -4.509 1.00 0.00 C ATOM 579 CE3 TRP A 40 -7.562 -13.211 -2.907 1.00 0.00 C ATOM 580 CZ2 TRP A 40 -8.102 -15.787 -3.936 1.00 0.00 C ATOM 581 CZ3 TRP A 40 -8.523 -14.026 -2.340 1.00 0.00 C ATOM 582 CH2 TRP A 40 -8.786 -15.303 -2.854 1.00 0.00 C ATOM 0 H TRP A 40 -2.773 -11.710 -5.926 1.00 0.00 H new ATOM 0 HA TRP A 40 -5.592 -11.320 -6.753 1.00 0.00 H new ATOM 0 HB2 TRP A 40 -4.289 -11.866 -4.070 1.00 0.00 H new ATOM 0 HB3 TRP A 40 -5.869 -11.114 -4.174 1.00 0.00 H new ATOM 0 HD1 TRP A 40 -4.775 -13.976 -6.547 1.00 0.00 H new ATOM 0 HE1 TRP A 40 -6.287 -16.035 -6.147 1.00 0.00 H new ATOM 0 HE3 TRP A 40 -7.365 -12.229 -2.502 1.00 0.00 H new ATOM 0 HZ2 TRP A 40 -8.306 -16.771 -4.332 1.00 0.00 H new ATOM 0 HZ3 TRP A 40 -9.081 -13.673 -1.486 1.00 0.00 H new ATOM 0 HH2 TRP A 40 -9.543 -15.917 -2.388 1.00 0.00 H new ATOM 593 N GLU A 41 -5.316 -8.871 -6.682 1.00 0.00 N ATOM 594 CA GLU A 41 -5.228 -7.417 -6.623 1.00 0.00 C ATOM 595 C GLU A 41 -6.287 -6.845 -5.686 1.00 0.00 C ATOM 596 O GLU A 41 -7.404 -7.358 -5.607 1.00 0.00 O ATOM 597 CB GLU A 41 -5.391 -6.818 -8.022 1.00 0.00 C ATOM 598 CG GLU A 41 -5.002 -5.351 -8.104 1.00 0.00 C ATOM 599 CD GLU A 41 -3.504 -5.138 -8.005 1.00 0.00 C ATOM 600 OE1 GLU A 41 -2.820 -5.242 -9.045 1.00 0.00 O ATOM 601 OE2 GLU A 41 -3.015 -4.869 -6.888 1.00 0.00 O ATOM 0 H GLU A 41 -5.958 -9.227 -7.391 1.00 0.00 H new ATOM 0 HA GLU A 41 -4.244 -7.153 -6.234 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -4.782 -7.387 -8.725 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -6.429 -6.928 -8.337 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -5.363 -4.935 -9.045 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -5.497 -4.802 -7.303 1.00 0.00 H new ATOM 608 N ILE A 42 -5.928 -5.780 -4.977 1.00 0.00 N ATOM 609 CA ILE A 42 -6.847 -5.138 -4.045 1.00 0.00 C ATOM 610 C ILE A 42 -6.657 -3.625 -4.040 1.00 0.00 C ATOM 611 O ILE A 42 -5.548 -3.129 -3.835 1.00 0.00 O ATOM 612 CB ILE A 42 -6.662 -5.673 -2.613 1.00 0.00 C ATOM 613 CG1 ILE A 42 -6.959 -7.173 -2.562 1.00 0.00 C ATOM 614 CG2 ILE A 42 -7.559 -4.916 -1.645 1.00 0.00 C ATOM 615 CD1 ILE A 42 -6.465 -7.844 -1.300 1.00 0.00 C ATOM 0 H ILE A 42 -5.008 -5.344 -5.030 1.00 0.00 H new ATOM 0 HA ILE A 42 -7.856 -5.374 -4.384 1.00 0.00 H new ATOM 0 HB ILE A 42 -5.625 -5.518 -2.314 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -8.035 -7.325 -2.647 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -6.499 -7.656 -3.424 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -7.417 -5.306 -0.637 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -7.303 -3.857 -1.664 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -8.601 -5.043 -1.939 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -6.710 -8.906 -1.333 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -5.384 -7.723 -1.223 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -6.944 -7.388 -0.434 1.00 0.00 H new ATOM 627 N TYR A 43 -7.744 -2.897 -4.265 1.00 0.00 N ATOM 628 CA TYR A 43 -7.697 -1.440 -4.287 1.00 0.00 C ATOM 629 C TYR A 43 -8.427 -0.853 -3.082 1.00 0.00 C ATOM 630 O TYR A 43 -9.135 -1.561 -2.366 1.00 0.00 O ATOM 631 CB TYR A 43 -8.316 -0.908 -5.581 1.00 0.00 C ATOM 632 CG TYR A 43 -8.002 -1.753 -6.794 1.00 0.00 C ATOM 633 CD1 TYR A 43 -8.775 -2.865 -7.109 1.00 0.00 C ATOM 634 CD2 TYR A 43 -6.933 -1.442 -7.625 1.00 0.00 C ATOM 635 CE1 TYR A 43 -8.491 -3.641 -8.216 1.00 0.00 C ATOM 636 CE2 TYR A 43 -6.644 -2.211 -8.735 1.00 0.00 C ATOM 637 CZ TYR A 43 -7.425 -3.309 -9.027 1.00 0.00 C ATOM 638 OH TYR A 43 -7.139 -4.079 -10.131 1.00 0.00 O ATOM 0 H TYR A 43 -8.669 -3.292 -4.435 1.00 0.00 H new ATOM 0 HA TYR A 43 -6.652 -1.135 -4.240 1.00 0.00 H new ATOM 0 HB2 TYR A 43 -9.398 -0.850 -5.459 1.00 0.00 H new ATOM 0 HB3 TYR A 43 -7.959 0.107 -5.754 1.00 0.00 H new ATOM 0 HD1 TYR A 43 -9.611 -3.126 -6.478 1.00 0.00 H new ATOM 0 HD2 TYR A 43 -6.317 -0.584 -7.399 1.00 0.00 H new ATOM 0 HE1 TYR A 43 -9.100 -4.503 -8.446 1.00 0.00 H new ATOM 0 HE2 TYR A 43 -5.810 -1.954 -9.371 1.00 0.00 H new ATOM 0 HH TYR A 43 -6.359 -3.709 -10.595 1.00 0.00 H new ATOM 648 N ILE A 44 -8.249 0.446 -2.866 1.00 0.00 N ATOM 649 CA ILE A 44 -8.891 1.129 -1.750 1.00 0.00 C ATOM 650 C ILE A 44 -8.686 2.638 -1.838 1.00 0.00 C ATOM 651 O ILE A 44 -7.649 3.109 -2.305 1.00 0.00 O ATOM 652 CB ILE A 44 -8.352 0.627 -0.397 1.00 0.00 C ATOM 653 CG1 ILE A 44 -9.119 1.278 0.755 1.00 0.00 C ATOM 654 CG2 ILE A 44 -6.863 0.918 -0.280 1.00 0.00 C ATOM 655 CD1 ILE A 44 -9.014 0.515 2.058 1.00 0.00 C ATOM 0 H ILE A 44 -7.666 1.046 -3.449 1.00 0.00 H new ATOM 0 HA ILE A 44 -9.956 0.905 -1.813 1.00 0.00 H new ATOM 0 HB ILE A 44 -8.498 -0.452 -0.342 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -8.744 2.290 0.905 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -10.170 1.365 0.478 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -6.496 0.558 0.681 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -6.329 0.413 -1.085 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -6.695 1.993 -0.352 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -9.582 1.034 2.830 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -9.416 -0.489 1.925 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -7.968 0.450 2.358 1.00 0.00 H new ATOM 667 N THR A 45 -9.682 3.392 -1.383 1.00 0.00 N ATOM 668 CA THR A 45 -9.612 4.848 -1.410 1.00 0.00 C ATOM 669 C THR A 45 -9.536 5.420 0.001 1.00 0.00 C ATOM 670 O THR A 45 -10.484 5.309 0.779 1.00 0.00 O ATOM 671 CB THR A 45 -10.829 5.456 -2.133 1.00 0.00 C ATOM 672 OG1 THR A 45 -11.008 4.824 -3.405 1.00 0.00 O ATOM 673 CG2 THR A 45 -10.650 6.954 -2.326 1.00 0.00 C ATOM 0 H THR A 45 -10.547 3.018 -0.991 1.00 0.00 H new ATOM 0 HA THR A 45 -8.706 5.111 -1.956 1.00 0.00 H new ATOM 0 HB THR A 45 -11.712 5.288 -1.517 1.00 0.00 H new ATOM 0 HG1 THR A 45 -11.784 5.214 -3.858 1.00 0.00 H new ATOM 0 HG21 THR A 45 -11.521 7.362 -2.838 1.00 0.00 H new ATOM 0 HG22 THR A 45 -10.542 7.436 -1.354 1.00 0.00 H new ATOM 0 HG23 THR A 45 -9.758 7.140 -2.924 1.00 0.00 H new ATOM 681 N LEU A 46 -8.402 6.032 0.325 1.00 0.00 N ATOM 682 CA LEU A 46 -8.202 6.624 1.644 1.00 0.00 C ATOM 683 C LEU A 46 -8.510 8.118 1.623 1.00 0.00 C ATOM 684 O LEU A 46 -8.307 8.790 0.611 1.00 0.00 O ATOM 685 CB LEU A 46 -6.765 6.393 2.115 1.00 0.00 C ATOM 686 CG LEU A 46 -6.520 5.120 2.925 1.00 0.00 C ATOM 687 CD1 LEU A 46 -7.029 3.901 2.170 1.00 0.00 C ATOM 688 CD2 LEU A 46 -5.041 4.969 3.248 1.00 0.00 C ATOM 0 H LEU A 46 -7.607 6.131 -0.307 1.00 0.00 H new ATOM 0 HA LEU A 46 -8.888 6.141 2.340 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -6.116 6.373 1.240 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -6.460 7.248 2.719 1.00 0.00 H new ATOM 0 HG LEU A 46 -7.070 5.198 3.863 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -6.846 3.004 2.762 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -8.099 4.005 1.990 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -6.507 3.819 1.217 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -4.886 4.057 3.825 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -4.470 4.914 2.321 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -4.706 5.828 3.830 1.00 0.00 H new ATOM 700 N HIS A 47 -8.999 8.632 2.747 1.00 0.00 N ATOM 701 CA HIS A 47 -9.331 10.047 2.859 1.00 0.00 C ATOM 702 C HIS A 47 -8.746 10.644 4.135 1.00 0.00 C ATOM 703 O HIS A 47 -8.760 10.027 5.201 1.00 0.00 O ATOM 704 CB HIS A 47 -10.848 10.240 2.841 1.00 0.00 C ATOM 705 CG HIS A 47 -11.495 9.783 1.570 1.00 0.00 C ATOM 706 ND1 HIS A 47 -12.793 9.324 1.508 1.00 0.00 N ATOM 707 CD2 HIS A 47 -11.014 9.718 0.306 1.00 0.00 C ATOM 708 CE1 HIS A 47 -13.084 8.995 0.262 1.00 0.00 C ATOM 709 NE2 HIS A 47 -12.021 9.226 -0.488 1.00 0.00 N ATOM 0 H HIS A 47 -9.174 8.089 3.593 1.00 0.00 H new ATOM 0 HA HIS A 47 -8.896 10.565 2.004 1.00 0.00 H new ATOM 0 HB2 HIS A 47 -11.285 9.695 3.678 1.00 0.00 H new ATOM 0 HB3 HIS A 47 -11.074 11.295 2.995 1.00 0.00 H new ATOM 0 HD1 HIS A 47 -13.430 9.250 2.301 1.00 0.00 H new ATOM 0 HD2 HIS A 47 -10.023 10.000 -0.018 1.00 0.00 H new ATOM 0 HE1 HIS A 47 -14.029 8.604 -0.084 1.00 0.00 H new ATOM 718 N PRO A 48 -8.219 11.873 4.028 1.00 0.00 N ATOM 719 CA PRO A 48 -7.619 12.579 5.163 1.00 0.00 C ATOM 720 C PRO A 48 -8.658 13.009 6.193 1.00 0.00 C ATOM 721 O PRO A 48 -9.852 12.767 6.022 1.00 0.00 O ATOM 722 CB PRO A 48 -6.969 13.804 4.516 1.00 0.00 C ATOM 723 CG PRO A 48 -7.747 14.029 3.266 1.00 0.00 C ATOM 724 CD PRO A 48 -8.168 12.667 2.789 1.00 0.00 C ATOM 0 HA PRO A 48 -6.919 11.948 5.711 1.00 0.00 H new ATOM 0 HB2 PRO A 48 -7.017 14.672 5.174 1.00 0.00 H new ATOM 0 HB3 PRO A 48 -5.916 13.626 4.300 1.00 0.00 H new ATOM 0 HG2 PRO A 48 -8.614 14.662 3.455 1.00 0.00 H new ATOM 0 HG3 PRO A 48 -7.141 14.535 2.515 1.00 0.00 H new ATOM 0 HD2 PRO A 48 -9.137 12.697 2.291 1.00 0.00 H new ATOM 0 HD3 PRO A 48 -7.456 12.253 2.075 1.00 0.00 H new ATOM 732 N ALA A 49 -8.195 13.647 7.263 1.00 0.00 N ATOM 733 CA ALA A 49 -9.085 14.112 8.320 1.00 0.00 C ATOM 734 C ALA A 49 -10.333 14.766 7.737 1.00 0.00 C ATOM 735 O ALA A 49 -10.330 15.952 7.405 1.00 0.00 O ATOM 736 CB ALA A 49 -8.355 15.085 9.234 1.00 0.00 C ATOM 0 H ALA A 49 -7.209 13.854 7.421 1.00 0.00 H new ATOM 0 HA ALA A 49 -9.399 13.247 8.905 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -9.031 15.424 10.019 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -7.497 14.587 9.685 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -8.013 15.942 8.654 1.00 0.00 H new ATOM 742 N THR A 50 -11.402 13.984 7.614 1.00 0.00 N ATOM 743 CA THR A 50 -12.657 14.487 7.070 1.00 0.00 C ATOM 744 C THR A 50 -12.965 15.884 7.596 1.00 0.00 C ATOM 745 O THR A 50 -12.694 16.194 8.755 1.00 0.00 O ATOM 746 CB THR A 50 -13.832 13.551 7.413 1.00 0.00 C ATOM 747 OG1 THR A 50 -13.888 13.333 8.827 1.00 0.00 O ATOM 748 CG2 THR A 50 -13.691 12.218 6.693 1.00 0.00 C ATOM 0 H THR A 50 -11.423 13.001 7.884 1.00 0.00 H new ATOM 0 HA THR A 50 -12.538 14.528 5.987 1.00 0.00 H new ATOM 0 HB THR A 50 -14.755 14.027 7.083 1.00 0.00 H new ATOM 0 HG1 THR A 50 -14.638 12.739 9.037 1.00 0.00 H new ATOM 0 HG21 THR A 50 -14.532 11.574 6.951 1.00 0.00 H new ATOM 0 HG22 THR A 50 -13.679 12.386 5.616 1.00 0.00 H new ATOM 0 HG23 THR A 50 -12.760 11.738 6.996 1.00 0.00 H new ATOM 756 N ALA A 51 -13.532 16.723 6.736 1.00 0.00 N ATOM 757 CA ALA A 51 -13.879 18.087 7.115 1.00 0.00 C ATOM 758 C ALA A 51 -15.368 18.211 7.419 1.00 0.00 C ATOM 759 O ALA A 51 -16.105 18.881 6.696 1.00 0.00 O ATOM 760 CB ALA A 51 -13.481 19.059 6.014 1.00 0.00 C ATOM 0 H ALA A 51 -13.761 16.482 5.772 1.00 0.00 H new ATOM 0 HA ALA A 51 -13.328 18.336 8.022 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -13.746 20.074 6.311 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -12.406 18.999 5.847 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -14.006 18.801 5.094 1.00 0.00 H new ATOM 766 N GLU A 52 -15.804 17.559 8.493 1.00 0.00 N ATOM 767 CA GLU A 52 -17.206 17.596 8.891 1.00 0.00 C ATOM 768 C GLU A 52 -18.120 17.524 7.671 1.00 0.00 C ATOM 769 O GLU A 52 -19.186 18.140 7.643 1.00 0.00 O ATOM 770 CB GLU A 52 -17.500 18.869 9.687 1.00 0.00 C ATOM 771 CG GLU A 52 -16.572 19.073 10.873 1.00 0.00 C ATOM 772 CD GLU A 52 -16.952 18.217 12.065 1.00 0.00 C ATOM 773 OE1 GLU A 52 -18.067 18.404 12.598 1.00 0.00 O ATOM 774 OE2 GLU A 52 -16.136 17.361 12.466 1.00 0.00 O ATOM 0 H GLU A 52 -15.207 17.000 9.102 1.00 0.00 H new ATOM 0 HA GLU A 52 -17.401 16.729 9.522 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -17.421 19.729 9.022 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -18.529 18.835 10.044 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -15.550 18.840 10.574 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -16.587 20.123 11.165 1.00 0.00 H new ATOM 781 N ASP A 53 -17.695 16.768 6.664 1.00 0.00 N ATOM 782 CA ASP A 53 -18.474 16.614 5.441 1.00 0.00 C ATOM 783 C ASP A 53 -19.076 17.948 5.009 1.00 0.00 C ATOM 784 O ASP A 53 -20.239 18.014 4.612 1.00 0.00 O ATOM 785 CB ASP A 53 -19.583 15.581 5.644 1.00 0.00 C ATOM 786 CG ASP A 53 -20.481 15.449 4.430 1.00 0.00 C ATOM 787 OD1 ASP A 53 -20.064 14.793 3.452 1.00 0.00 O ATOM 788 OD2 ASP A 53 -21.600 16.001 4.457 1.00 0.00 O ATOM 0 H ASP A 53 -16.815 16.252 6.671 1.00 0.00 H new ATOM 0 HA ASP A 53 -17.805 16.266 4.654 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -19.136 14.612 5.869 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -20.184 15.863 6.508 1.00 0.00 H new ATOM 793 N GLN A 54 -18.276 19.006 5.091 1.00 0.00 N ATOM 794 CA GLN A 54 -18.732 20.338 4.710 1.00 0.00 C ATOM 795 C GLN A 54 -18.367 20.645 3.261 1.00 0.00 C ATOM 796 O GLN A 54 -19.172 21.198 2.512 1.00 0.00 O ATOM 797 CB GLN A 54 -18.123 21.393 5.636 1.00 0.00 C ATOM 798 CG GLN A 54 -18.798 21.471 6.996 1.00 0.00 C ATOM 799 CD GLN A 54 -20.077 22.284 6.966 1.00 0.00 C ATOM 800 OE1 GLN A 54 -20.635 22.547 5.900 1.00 0.00 O ATOM 801 NE2 GLN A 54 -20.549 22.688 8.140 1.00 0.00 N ATOM 0 H GLN A 54 -17.310 18.967 5.417 1.00 0.00 H new ATOM 0 HA GLN A 54 -19.818 20.364 4.805 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -17.065 21.173 5.777 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -18.185 22.368 5.153 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -19.021 20.463 7.345 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -18.108 21.912 7.715 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -20.054 22.447 8.999 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -21.406 23.239 8.183 1.00 0.00 H new ATOM 810 N ASP A 55 -17.149 20.282 2.874 1.00 0.00 N ATOM 811 CA ASP A 55 -16.678 20.517 1.514 1.00 0.00 C ATOM 812 C ASP A 55 -16.357 19.200 0.815 1.00 0.00 C ATOM 813 O ASP A 55 -16.467 18.128 1.408 1.00 0.00 O ATOM 814 CB ASP A 55 -15.440 21.416 1.530 1.00 0.00 C ATOM 815 CG ASP A 55 -15.746 22.815 2.025 1.00 0.00 C ATOM 816 OD1 ASP A 55 -16.900 23.263 1.860 1.00 0.00 O ATOM 817 OD2 ASP A 55 -14.832 23.463 2.577 1.00 0.00 O ATOM 0 H ASP A 55 -16.470 19.824 3.482 1.00 0.00 H new ATOM 0 HA ASP A 55 -17.473 21.016 0.961 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -14.677 20.967 2.167 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -15.023 21.473 0.525 1.00 0.00 H new ATOM 822 N SER A 56 -15.961 19.290 -0.451 1.00 0.00 N ATOM 823 CA SER A 56 -15.629 18.105 -1.234 1.00 0.00 C ATOM 824 C SER A 56 -14.178 17.692 -1.006 1.00 0.00 C ATOM 825 O SER A 56 -13.318 18.531 -0.737 1.00 0.00 O ATOM 826 CB SER A 56 -15.869 18.367 -2.722 1.00 0.00 C ATOM 827 OG SER A 56 -14.787 19.081 -3.295 1.00 0.00 O ATOM 0 H SER A 56 -15.862 20.171 -0.956 1.00 0.00 H new ATOM 0 HA SER A 56 -16.276 17.291 -0.907 1.00 0.00 H new ATOM 0 HB2 SER A 56 -16.001 17.420 -3.245 1.00 0.00 H new ATOM 0 HB3 SER A 56 -16.791 18.933 -2.851 1.00 0.00 H new ATOM 0 HG SER A 56 -14.964 19.234 -4.247 1.00 0.00 H new ATOM 833 N GLN A 57 -13.914 16.394 -1.116 1.00 0.00 N ATOM 834 CA GLN A 57 -12.568 15.869 -0.921 1.00 0.00 C ATOM 835 C GLN A 57 -11.713 16.089 -2.165 1.00 0.00 C ATOM 836 O GLN A 57 -12.065 15.646 -3.258 1.00 0.00 O ATOM 837 CB GLN A 57 -12.622 14.379 -0.582 1.00 0.00 C ATOM 838 CG GLN A 57 -13.217 14.088 0.787 1.00 0.00 C ATOM 839 CD GLN A 57 -13.923 12.748 0.843 1.00 0.00 C ATOM 840 OE1 GLN A 57 -13.337 11.710 0.531 1.00 0.00 O ATOM 841 NE2 GLN A 57 -15.190 12.762 1.242 1.00 0.00 N ATOM 0 H GLN A 57 -14.614 15.687 -1.339 1.00 0.00 H new ATOM 0 HA GLN A 57 -12.113 16.407 -0.089 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -13.209 13.863 -1.341 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -11.613 13.968 -0.626 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -12.425 14.109 1.535 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -13.922 14.877 1.048 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -15.637 13.645 1.491 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -15.716 11.890 1.299 1.00 0.00 H new ATOM 850 N TYR A 58 -10.589 16.775 -1.990 1.00 0.00 N ATOM 851 CA TYR A 58 -9.685 17.056 -3.099 1.00 0.00 C ATOM 852 C TYR A 58 -8.585 16.002 -3.186 1.00 0.00 C ATOM 853 O TYR A 58 -8.536 15.216 -4.132 1.00 0.00 O ATOM 854 CB TYR A 58 -9.064 18.445 -2.940 1.00 0.00 C ATOM 855 CG TYR A 58 -7.912 18.705 -3.883 1.00 0.00 C ATOM 856 CD1 TYR A 58 -8.139 19.074 -5.204 1.00 0.00 C ATOM 857 CD2 TYR A 58 -6.596 18.582 -3.455 1.00 0.00 C ATOM 858 CE1 TYR A 58 -7.089 19.312 -6.069 1.00 0.00 C ATOM 859 CE2 TYR A 58 -5.540 18.819 -4.313 1.00 0.00 C ATOM 860 CZ TYR A 58 -5.792 19.184 -5.619 1.00 0.00 C ATOM 861 OH TYR A 58 -4.742 19.420 -6.478 1.00 0.00 O ATOM 0 H TYR A 58 -10.282 17.147 -1.091 1.00 0.00 H new ATOM 0 HA TYR A 58 -10.264 17.028 -4.022 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -9.834 19.199 -3.104 1.00 0.00 H new ATOM 0 HB3 TYR A 58 -8.716 18.563 -1.914 1.00 0.00 H new ATOM 0 HD1 TYR A 58 -9.154 19.176 -5.560 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -6.395 18.296 -2.433 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -7.283 19.597 -7.093 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -4.523 18.719 -3.963 1.00 0.00 H new ATOM 0 HH TYR A 58 -3.895 19.287 -6.003 1.00 0.00 H new ATOM 871 N VAL A 59 -7.704 15.992 -2.191 1.00 0.00 N ATOM 872 CA VAL A 59 -6.605 15.035 -2.152 1.00 0.00 C ATOM 873 C VAL A 59 -7.125 13.607 -2.026 1.00 0.00 C ATOM 874 O VAL A 59 -8.035 13.333 -1.243 1.00 0.00 O ATOM 875 CB VAL A 59 -5.649 15.326 -0.980 1.00 0.00 C ATOM 876 CG1 VAL A 59 -6.378 15.200 0.349 1.00 0.00 C ATOM 877 CG2 VAL A 59 -4.447 14.394 -1.030 1.00 0.00 C ATOM 0 H VAL A 59 -7.730 16.636 -1.401 1.00 0.00 H new ATOM 0 HA VAL A 59 -6.060 15.140 -3.090 1.00 0.00 H new ATOM 0 HB VAL A 59 -5.290 16.351 -1.073 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -5.686 15.409 1.165 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -7.202 15.912 0.381 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -6.769 14.188 0.455 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -3.782 14.613 -0.195 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -4.785 13.360 -0.963 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -3.912 14.540 -1.968 1.00 0.00 H new ATOM 887 N CYS A 60 -6.540 12.701 -2.802 1.00 0.00 N ATOM 888 CA CYS A 60 -6.944 11.300 -2.779 1.00 0.00 C ATOM 889 C CYS A 60 -5.937 10.431 -3.525 1.00 0.00 C ATOM 890 O CYS A 60 -5.524 10.757 -4.638 1.00 0.00 O ATOM 891 CB CYS A 60 -8.333 11.137 -3.398 1.00 0.00 C ATOM 892 SG CYS A 60 -8.450 11.706 -5.110 1.00 0.00 S ATOM 0 H CYS A 60 -5.785 12.912 -3.454 1.00 0.00 H new ATOM 0 HA CYS A 60 -6.977 10.975 -1.739 1.00 0.00 H new ATOM 0 HB2 CYS A 60 -8.617 10.085 -3.356 1.00 0.00 H new ATOM 0 HB3 CYS A 60 -9.055 11.686 -2.794 1.00 0.00 H new ATOM 0 HG CYS A 60 -7.300 11.554 -5.697 1.00 0.00 H new ATOM 898 N PHE A 61 -5.544 9.324 -2.904 1.00 0.00 N ATOM 899 CA PHE A 61 -4.582 8.409 -3.508 1.00 0.00 C ATOM 900 C PHE A 61 -5.044 6.962 -3.365 1.00 0.00 C ATOM 901 O PHE A 61 -5.142 6.435 -2.255 1.00 0.00 O ATOM 902 CB PHE A 61 -3.206 8.583 -2.863 1.00 0.00 C ATOM 903 CG PHE A 61 -3.055 7.845 -1.564 1.00 0.00 C ATOM 904 CD1 PHE A 61 -3.515 8.399 -0.380 1.00 0.00 C ATOM 905 CD2 PHE A 61 -2.454 6.597 -1.526 1.00 0.00 C ATOM 906 CE1 PHE A 61 -3.377 7.722 0.817 1.00 0.00 C ATOM 907 CE2 PHE A 61 -2.313 5.915 -0.332 1.00 0.00 C ATOM 908 CZ PHE A 61 -2.776 6.478 0.841 1.00 0.00 C ATOM 0 H PHE A 61 -5.877 9.039 -1.983 1.00 0.00 H new ATOM 0 HA PHE A 61 -4.510 8.646 -4.570 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -2.441 8.238 -3.559 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -3.025 9.644 -2.692 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -3.987 9.371 -0.393 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -2.091 6.152 -2.441 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -3.739 8.165 1.733 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -1.842 4.943 -0.316 1.00 0.00 H new ATOM 0 HZ PHE A 61 -2.669 5.947 1.775 1.00 0.00 H new ATOM 918 N THR A 62 -5.329 6.322 -4.495 1.00 0.00 N ATOM 919 CA THR A 62 -5.782 4.937 -4.497 1.00 0.00 C ATOM 920 C THR A 62 -4.636 3.983 -4.180 1.00 0.00 C ATOM 921 O THR A 62 -3.817 3.672 -5.045 1.00 0.00 O ATOM 922 CB THR A 62 -6.398 4.549 -5.854 1.00 0.00 C ATOM 923 OG1 THR A 62 -7.520 5.391 -6.142 1.00 0.00 O ATOM 924 CG2 THR A 62 -6.837 3.093 -5.853 1.00 0.00 C ATOM 0 H THR A 62 -5.254 6.742 -5.422 1.00 0.00 H new ATOM 0 HA THR A 62 -6.545 4.853 -3.723 1.00 0.00 H new ATOM 0 HB THR A 62 -5.638 4.682 -6.624 1.00 0.00 H new ATOM 0 HG1 THR A 62 -7.905 5.139 -7.007 1.00 0.00 H new ATOM 0 HG21 THR A 62 -7.269 2.843 -6.822 1.00 0.00 H new ATOM 0 HG22 THR A 62 -5.975 2.453 -5.664 1.00 0.00 H new ATOM 0 HG23 THR A 62 -7.582 2.938 -5.073 1.00 0.00 H new ATOM 932 N LEU A 63 -4.585 3.521 -2.936 1.00 0.00 N ATOM 933 CA LEU A 63 -3.539 2.600 -2.504 1.00 0.00 C ATOM 934 C LEU A 63 -3.739 1.220 -3.122 1.00 0.00 C ATOM 935 O LEU A 63 -4.622 0.467 -2.712 1.00 0.00 O ATOM 936 CB LEU A 63 -3.525 2.491 -0.979 1.00 0.00 C ATOM 937 CG LEU A 63 -2.183 2.126 -0.344 1.00 0.00 C ATOM 938 CD1 LEU A 63 -2.352 1.850 1.142 1.00 0.00 C ATOM 939 CD2 LEU A 63 -1.571 0.922 -1.045 1.00 0.00 C ATOM 0 H LEU A 63 -5.255 3.769 -2.208 1.00 0.00 H new ATOM 0 HA LEU A 63 -2.581 2.994 -2.842 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -3.853 3.444 -0.564 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -4.260 1.743 -0.682 1.00 0.00 H new ATOM 0 HG LEU A 63 -1.506 2.973 -0.461 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -1.386 1.592 1.576 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -2.746 2.739 1.635 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -3.046 1.021 1.281 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -0.616 0.677 -0.580 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -2.246 0.070 -0.960 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -1.412 1.156 -2.098 1.00 0.00 H new ATOM 951 N VAL A 64 -2.912 0.894 -4.110 1.00 0.00 N ATOM 952 CA VAL A 64 -2.996 -0.397 -4.783 1.00 0.00 C ATOM 953 C VAL A 64 -2.159 -1.448 -4.062 1.00 0.00 C ATOM 954 O VAL A 64 -0.990 -1.218 -3.747 1.00 0.00 O ATOM 955 CB VAL A 64 -2.527 -0.299 -6.247 1.00 0.00 C ATOM 956 CG1 VAL A 64 -2.581 -1.664 -6.917 1.00 0.00 C ATOM 957 CG2 VAL A 64 -3.370 0.712 -7.009 1.00 0.00 C ATOM 0 H VAL A 64 -2.176 1.506 -4.462 1.00 0.00 H new ATOM 0 HA VAL A 64 -4.044 -0.696 -4.765 1.00 0.00 H new ATOM 0 HB VAL A 64 -1.492 0.044 -6.257 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -2.246 -1.576 -7.951 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -1.931 -2.357 -6.383 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -3.604 -2.038 -6.898 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -3.025 0.769 -8.041 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -4.415 0.401 -6.992 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -3.275 1.692 -6.540 1.00 0.00 H new ATOM 967 N LEU A 65 -2.763 -2.602 -3.803 1.00 0.00 N ATOM 968 CA LEU A 65 -2.074 -3.691 -3.119 1.00 0.00 C ATOM 969 C LEU A 65 -2.127 -4.973 -3.944 1.00 0.00 C ATOM 970 O LEU A 65 -3.154 -5.649 -3.990 1.00 0.00 O ATOM 971 CB LEU A 65 -2.696 -3.930 -1.742 1.00 0.00 C ATOM 972 CG LEU A 65 -2.419 -2.861 -0.685 1.00 0.00 C ATOM 973 CD1 LEU A 65 -3.513 -2.857 0.371 1.00 0.00 C ATOM 974 CD2 LEU A 65 -1.057 -3.085 -0.043 1.00 0.00 C ATOM 0 H LEU A 65 -3.729 -2.808 -4.056 1.00 0.00 H new ATOM 0 HA LEU A 65 -1.030 -3.405 -2.994 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -3.775 -4.020 -1.864 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -2.337 -4.887 -1.364 1.00 0.00 H new ATOM 0 HG LEU A 65 -2.412 -1.887 -1.175 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -3.298 -2.090 1.115 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -4.473 -2.647 -0.100 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -3.553 -3.832 0.857 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -0.877 -2.315 0.707 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -1.036 -4.066 0.432 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -0.282 -3.035 -0.808 1.00 0.00 H new ATOM 986 N GLN A 66 -1.013 -5.301 -4.590 1.00 0.00 N ATOM 987 CA GLN A 66 -0.934 -6.503 -5.412 1.00 0.00 C ATOM 988 C GLN A 66 -0.320 -7.658 -4.628 1.00 0.00 C ATOM 989 O GLN A 66 0.870 -7.647 -4.315 1.00 0.00 O ATOM 990 CB GLN A 66 -0.110 -6.231 -6.672 1.00 0.00 C ATOM 991 CG GLN A 66 -0.438 -7.165 -7.826 1.00 0.00 C ATOM 992 CD GLN A 66 0.579 -7.085 -8.948 1.00 0.00 C ATOM 993 OE1 GLN A 66 0.375 -6.380 -9.937 1.00 0.00 O ATOM 994 NE2 GLN A 66 1.682 -7.809 -8.801 1.00 0.00 N ATOM 0 H GLN A 66 -0.154 -4.752 -4.560 1.00 0.00 H new ATOM 0 HA GLN A 66 -1.947 -6.782 -5.702 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -0.276 -5.202 -6.990 1.00 0.00 H new ATOM 0 HB3 GLN A 66 0.949 -6.323 -6.431 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -0.486 -8.189 -7.457 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -1.425 -6.920 -8.217 1.00 0.00 H new ATOM 0 HE21 GLN A 66 1.810 -8.379 -7.965 1.00 0.00 H new ATOM 0 HE22 GLN A 66 2.401 -7.795 -9.524 1.00 0.00 H new ATOM 1003 N VAL A 67 -1.141 -8.655 -4.313 1.00 0.00 N ATOM 1004 CA VAL A 67 -0.679 -9.819 -3.566 1.00 0.00 C ATOM 1005 C VAL A 67 -0.247 -10.939 -4.505 1.00 0.00 C ATOM 1006 O VAL A 67 -1.069 -11.613 -5.127 1.00 0.00 O ATOM 1007 CB VAL A 67 -1.773 -10.350 -2.621 1.00 0.00 C ATOM 1008 CG1 VAL A 67 -1.292 -11.595 -1.892 1.00 0.00 C ATOM 1009 CG2 VAL A 67 -2.191 -9.272 -1.632 1.00 0.00 C ATOM 0 H VAL A 67 -2.129 -8.680 -4.564 1.00 0.00 H new ATOM 0 HA VAL A 67 0.177 -9.495 -2.974 1.00 0.00 H new ATOM 0 HB VAL A 67 -2.643 -10.622 -3.218 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -2.079 -11.955 -1.229 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -1.046 -12.370 -2.618 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -0.406 -11.354 -1.305 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -2.965 -9.664 -0.972 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -1.328 -8.968 -1.039 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -2.580 -8.411 -2.175 1.00 0.00 H new ATOM 1019 N PRO A 68 1.074 -11.146 -4.613 1.00 0.00 N ATOM 1020 CA PRO A 68 1.645 -12.185 -5.474 1.00 0.00 C ATOM 1021 C PRO A 68 1.369 -13.590 -4.948 1.00 0.00 C ATOM 1022 O PRO A 68 0.665 -13.763 -3.954 1.00 0.00 O ATOM 1023 CB PRO A 68 3.146 -11.887 -5.441 1.00 0.00 C ATOM 1024 CG PRO A 68 3.363 -11.175 -4.151 1.00 0.00 C ATOM 1025 CD PRO A 68 2.111 -10.380 -3.901 1.00 0.00 C ATOM 0 HA PRO A 68 1.215 -12.167 -6.475 1.00 0.00 H new ATOM 0 HB2 PRO A 68 3.733 -12.804 -5.490 1.00 0.00 H new ATOM 0 HB3 PRO A 68 3.446 -11.271 -6.289 1.00 0.00 H new ATOM 0 HG2 PRO A 68 3.545 -11.881 -3.341 1.00 0.00 H new ATOM 0 HG3 PRO A 68 4.235 -10.523 -4.207 1.00 0.00 H new ATOM 0 HD2 PRO A 68 1.892 -10.300 -2.836 1.00 0.00 H new ATOM 0 HD3 PRO A 68 2.196 -9.364 -4.286 1.00 0.00 H new ATOM 1033 N ALA A 69 1.929 -14.589 -5.622 1.00 0.00 N ATOM 1034 CA ALA A 69 1.745 -15.978 -5.221 1.00 0.00 C ATOM 1035 C ALA A 69 2.581 -16.310 -3.990 1.00 0.00 C ATOM 1036 O ALA A 69 2.176 -17.115 -3.152 1.00 0.00 O ATOM 1037 CB ALA A 69 2.101 -16.911 -6.370 1.00 0.00 C ATOM 0 H ALA A 69 2.514 -14.462 -6.448 1.00 0.00 H new ATOM 0 HA ALA A 69 0.695 -16.119 -4.964 1.00 0.00 H new ATOM 0 HB1 ALA A 69 1.959 -17.945 -6.056 1.00 0.00 H new ATOM 0 HB2 ALA A 69 1.457 -16.699 -7.224 1.00 0.00 H new ATOM 0 HB3 ALA A 69 3.142 -16.758 -6.654 1.00 0.00 H new ATOM 1043 N GLU A 70 3.750 -15.684 -3.888 1.00 0.00 N ATOM 1044 CA GLU A 70 4.643 -15.915 -2.758 1.00 0.00 C ATOM 1045 C GLU A 70 4.018 -15.415 -1.459 1.00 0.00 C ATOM 1046 O GLU A 70 4.111 -16.069 -0.421 1.00 0.00 O ATOM 1047 CB GLU A 70 5.986 -15.219 -2.992 1.00 0.00 C ATOM 1048 CG GLU A 70 6.945 -16.022 -3.855 1.00 0.00 C ATOM 1049 CD GLU A 70 7.469 -17.258 -3.151 1.00 0.00 C ATOM 1050 OE1 GLU A 70 6.695 -18.226 -2.999 1.00 0.00 O ATOM 1051 OE2 GLU A 70 8.652 -17.257 -2.752 1.00 0.00 O ATOM 0 H GLU A 70 4.100 -15.014 -4.573 1.00 0.00 H new ATOM 0 HA GLU A 70 4.808 -16.989 -2.671 1.00 0.00 H new ATOM 0 HB2 GLU A 70 5.808 -14.253 -3.464 1.00 0.00 H new ATOM 0 HB3 GLU A 70 6.456 -15.021 -2.029 1.00 0.00 H new ATOM 0 HG2 GLU A 70 6.439 -16.319 -4.774 1.00 0.00 H new ATOM 0 HG3 GLU A 70 7.785 -15.390 -4.143 1.00 0.00 H new ATOM 1058 N TYR A 71 3.381 -14.251 -1.526 1.00 0.00 N ATOM 1059 CA TYR A 71 2.743 -13.661 -0.355 1.00 0.00 C ATOM 1060 C TYR A 71 2.196 -14.743 0.571 1.00 0.00 C ATOM 1061 O TYR A 71 1.680 -15.770 0.130 1.00 0.00 O ATOM 1062 CB TYR A 71 1.614 -12.721 -0.783 1.00 0.00 C ATOM 1063 CG TYR A 71 0.769 -12.227 0.369 1.00 0.00 C ATOM 1064 CD1 TYR A 71 -0.027 -13.102 1.099 1.00 0.00 C ATOM 1065 CD2 TYR A 71 0.766 -10.885 0.729 1.00 0.00 C ATOM 1066 CE1 TYR A 71 -0.801 -12.654 2.152 1.00 0.00 C ATOM 1067 CE2 TYR A 71 -0.004 -10.428 1.781 1.00 0.00 C ATOM 1068 CZ TYR A 71 -0.787 -11.317 2.489 1.00 0.00 C ATOM 1069 OH TYR A 71 -1.556 -10.868 3.538 1.00 0.00 O ATOM 0 H TYR A 71 3.293 -13.698 -2.378 1.00 0.00 H new ATOM 0 HA TYR A 71 3.496 -13.090 0.189 1.00 0.00 H new ATOM 0 HB2 TYR A 71 2.043 -11.864 -1.302 1.00 0.00 H new ATOM 0 HB3 TYR A 71 0.973 -13.238 -1.497 1.00 0.00 H new ATOM 0 HD1 TYR A 71 -0.041 -14.150 0.839 1.00 0.00 H new ATOM 0 HD2 TYR A 71 1.377 -10.186 0.176 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -1.414 -13.348 2.708 1.00 0.00 H new ATOM 0 HE2 TYR A 71 0.007 -9.382 2.048 1.00 0.00 H new ATOM 0 HH TYR A 71 -1.431 -9.902 3.645 1.00 0.00 H new ATOM 1079 N PRO A 72 2.310 -14.508 1.886 1.00 0.00 N ATOM 1080 CA PRO A 72 2.923 -13.289 2.422 1.00 0.00 C ATOM 1081 C PRO A 72 4.428 -13.244 2.184 1.00 0.00 C ATOM 1082 O PRO A 72 5.017 -12.168 2.072 1.00 0.00 O ATOM 1083 CB PRO A 72 2.621 -13.369 3.921 1.00 0.00 C ATOM 1084 CG PRO A 72 2.454 -14.824 4.196 1.00 0.00 C ATOM 1085 CD PRO A 72 1.850 -15.414 2.952 1.00 0.00 C ATOM 0 HA PRO A 72 2.532 -12.392 1.942 1.00 0.00 H new ATOM 0 HB2 PRO A 72 3.433 -12.945 4.512 1.00 0.00 H new ATOM 0 HB3 PRO A 72 1.719 -12.812 4.173 1.00 0.00 H new ATOM 0 HG2 PRO A 72 3.412 -15.291 4.424 1.00 0.00 H new ATOM 0 HG3 PRO A 72 1.808 -14.986 5.058 1.00 0.00 H new ATOM 0 HD2 PRO A 72 2.191 -16.436 2.786 1.00 0.00 H new ATOM 0 HD3 PRO A 72 0.762 -15.446 3.010 1.00 0.00 H new ATOM 1093 N HIS A 73 5.046 -14.418 2.107 1.00 0.00 N ATOM 1094 CA HIS A 73 6.484 -14.512 1.881 1.00 0.00 C ATOM 1095 C HIS A 73 6.984 -13.325 1.064 1.00 0.00 C ATOM 1096 O HIS A 73 8.033 -12.753 1.361 1.00 0.00 O ATOM 1097 CB HIS A 73 6.824 -15.819 1.164 1.00 0.00 C ATOM 1098 CG HIS A 73 6.280 -17.036 1.846 1.00 0.00 C ATOM 1099 ND1 HIS A 73 6.638 -17.405 3.125 1.00 0.00 N ATOM 1100 CD2 HIS A 73 5.397 -17.969 1.420 1.00 0.00 C ATOM 1101 CE1 HIS A 73 6.000 -18.514 3.456 1.00 0.00 C ATOM 1102 NE2 HIS A 73 5.240 -18.877 2.439 1.00 0.00 N ATOM 0 H HIS A 73 4.574 -15.318 2.198 1.00 0.00 H new ATOM 0 HA HIS A 73 6.981 -14.498 2.851 1.00 0.00 H new ATOM 0 HB2 HIS A 73 6.434 -15.778 0.147 1.00 0.00 H new ATOM 0 HB3 HIS A 73 7.907 -15.910 1.086 1.00 0.00 H new ATOM 0 HD2 HIS A 73 4.907 -17.995 0.458 1.00 0.00 H new ATOM 0 HE1 HIS A 73 6.086 -19.035 4.398 1.00 0.00 H new ATOM 0 HE2 HIS A 73 4.635 -19.698 2.414 1.00 0.00 H new ATOM 1111 N GLU A 74 6.227 -12.960 0.034 1.00 0.00 N ATOM 1112 CA GLU A 74 6.596 -11.842 -0.826 1.00 0.00 C ATOM 1113 C GLU A 74 5.679 -10.645 -0.585 1.00 0.00 C ATOM 1114 O GLU A 74 4.458 -10.751 -0.702 1.00 0.00 O ATOM 1115 CB GLU A 74 6.533 -12.258 -2.297 1.00 0.00 C ATOM 1116 CG GLU A 74 7.089 -11.213 -3.250 1.00 0.00 C ATOM 1117 CD GLU A 74 7.360 -11.771 -4.633 1.00 0.00 C ATOM 1118 OE1 GLU A 74 8.084 -12.784 -4.733 1.00 0.00 O ATOM 1119 OE2 GLU A 74 6.850 -11.194 -5.616 1.00 0.00 O ATOM 0 H GLU A 74 5.355 -13.422 -0.225 1.00 0.00 H new ATOM 0 HA GLU A 74 7.618 -11.551 -0.582 1.00 0.00 H new ATOM 0 HB2 GLU A 74 7.087 -13.187 -2.427 1.00 0.00 H new ATOM 0 HB3 GLU A 74 5.496 -12.465 -2.563 1.00 0.00 H new ATOM 0 HG2 GLU A 74 6.384 -10.386 -3.328 1.00 0.00 H new ATOM 0 HG3 GLU A 74 8.013 -10.806 -2.839 1.00 0.00 H new ATOM 1126 N VAL A 75 6.278 -9.507 -0.248 1.00 0.00 N ATOM 1127 CA VAL A 75 5.517 -8.290 0.009 1.00 0.00 C ATOM 1128 C VAL A 75 4.715 -7.874 -1.219 1.00 0.00 C ATOM 1129 O VAL A 75 5.164 -8.004 -2.358 1.00 0.00 O ATOM 1130 CB VAL A 75 6.440 -7.128 0.423 1.00 0.00 C ATOM 1131 CG1 VAL A 75 7.234 -7.495 1.667 1.00 0.00 C ATOM 1132 CG2 VAL A 75 7.369 -6.752 -0.721 1.00 0.00 C ATOM 0 H VAL A 75 7.288 -9.403 -0.147 1.00 0.00 H new ATOM 0 HA VAL A 75 4.833 -8.511 0.829 1.00 0.00 H new ATOM 0 HB VAL A 75 5.822 -6.261 0.658 1.00 0.00 H new ATOM 0 HG11 VAL A 75 7.880 -6.663 1.945 1.00 0.00 H new ATOM 0 HG12 VAL A 75 6.548 -7.711 2.486 1.00 0.00 H new ATOM 0 HG13 VAL A 75 7.844 -8.375 1.463 1.00 0.00 H new ATOM 0 HG21 VAL A 75 8.014 -5.930 -0.411 1.00 0.00 H new ATOM 0 HG22 VAL A 75 7.982 -7.612 -0.990 1.00 0.00 H new ATOM 0 HG23 VAL A 75 6.778 -6.444 -1.584 1.00 0.00 H new ATOM 1142 N PRO A 76 3.498 -7.361 -0.984 1.00 0.00 N ATOM 1143 CA PRO A 76 2.607 -6.914 -2.059 1.00 0.00 C ATOM 1144 C PRO A 76 3.114 -5.651 -2.746 1.00 0.00 C ATOM 1145 O PRO A 76 3.536 -4.702 -2.085 1.00 0.00 O ATOM 1146 CB PRO A 76 1.288 -6.635 -1.333 1.00 0.00 C ATOM 1147 CG PRO A 76 1.685 -6.334 0.071 1.00 0.00 C ATOM 1148 CD PRO A 76 2.898 -7.177 0.348 1.00 0.00 C ATOM 0 HA PRO A 76 2.524 -7.655 -2.854 1.00 0.00 H new ATOM 0 HB2 PRO A 76 0.758 -5.796 -1.783 1.00 0.00 H new ATOM 0 HB3 PRO A 76 0.621 -7.495 -1.380 1.00 0.00 H new ATOM 0 HG2 PRO A 76 1.910 -5.275 0.194 1.00 0.00 H new ATOM 0 HG3 PRO A 76 0.878 -6.572 0.764 1.00 0.00 H new ATOM 0 HD2 PRO A 76 3.585 -6.680 1.033 1.00 0.00 H new ATOM 0 HD3 PRO A 76 2.629 -8.130 0.803 1.00 0.00 H new ATOM 1156 N GLN A 77 3.070 -5.646 -4.074 1.00 0.00 N ATOM 1157 CA GLN A 77 3.526 -4.499 -4.849 1.00 0.00 C ATOM 1158 C GLN A 77 2.645 -3.282 -4.590 1.00 0.00 C ATOM 1159 O GLN A 77 1.538 -3.180 -5.121 1.00 0.00 O ATOM 1160 CB GLN A 77 3.529 -4.833 -6.342 1.00 0.00 C ATOM 1161 CG GLN A 77 4.102 -3.726 -7.212 1.00 0.00 C ATOM 1162 CD GLN A 77 4.328 -4.168 -8.644 1.00 0.00 C ATOM 1163 OE1 GLN A 77 3.383 -4.495 -9.362 1.00 0.00 O ATOM 1164 NE2 GLN A 77 5.587 -4.180 -9.068 1.00 0.00 N ATOM 0 H GLN A 77 2.723 -6.424 -4.636 1.00 0.00 H new ATOM 0 HA GLN A 77 4.543 -4.262 -4.535 1.00 0.00 H new ATOM 0 HB2 GLN A 77 4.106 -5.744 -6.501 1.00 0.00 H new ATOM 0 HB3 GLN A 77 2.508 -5.043 -6.661 1.00 0.00 H new ATOM 0 HG2 GLN A 77 3.424 -2.873 -7.202 1.00 0.00 H new ATOM 0 HG3 GLN A 77 5.047 -3.387 -6.787 1.00 0.00 H new ATOM 0 HE21 GLN A 77 6.340 -3.901 -8.439 1.00 0.00 H new ATOM 0 HE22 GLN A 77 5.801 -4.468 -10.023 1.00 0.00 H new ATOM 1173 N ILE A 78 3.142 -2.361 -3.771 1.00 0.00 N ATOM 1174 CA ILE A 78 2.399 -1.151 -3.442 1.00 0.00 C ATOM 1175 C ILE A 78 2.628 -0.064 -4.488 1.00 0.00 C ATOM 1176 O ILE A 78 3.766 0.318 -4.761 1.00 0.00 O ATOM 1177 CB ILE A 78 2.794 -0.606 -2.057 1.00 0.00 C ATOM 1178 CG1 ILE A 78 2.558 -1.668 -0.981 1.00 0.00 C ATOM 1179 CG2 ILE A 78 2.010 0.659 -1.742 1.00 0.00 C ATOM 1180 CD1 ILE A 78 3.399 -1.467 0.260 1.00 0.00 C ATOM 0 H ILE A 78 4.056 -2.430 -3.323 1.00 0.00 H new ATOM 0 HA ILE A 78 1.344 -1.423 -3.428 1.00 0.00 H new ATOM 0 HB ILE A 78 3.855 -0.358 -2.069 1.00 0.00 H new ATOM 0 HG12 ILE A 78 1.505 -1.662 -0.701 1.00 0.00 H new ATOM 0 HG13 ILE A 78 2.771 -2.652 -1.400 1.00 0.00 H new ATOM 0 HG21 ILE A 78 2.300 1.032 -0.760 1.00 0.00 H new ATOM 0 HG22 ILE A 78 2.224 1.417 -2.496 1.00 0.00 H new ATOM 0 HG23 ILE A 78 0.943 0.436 -1.744 1.00 0.00 H new ATOM 0 HD11 ILE A 78 3.180 -2.256 0.980 1.00 0.00 H new ATOM 0 HD12 ILE A 78 4.455 -1.502 -0.007 1.00 0.00 H new ATOM 0 HD13 ILE A 78 3.169 -0.498 0.703 1.00 0.00 H new ATOM 1192 N SER A 79 1.539 0.431 -5.067 1.00 0.00 N ATOM 1193 CA SER A 79 1.621 1.473 -6.084 1.00 0.00 C ATOM 1194 C SER A 79 0.464 2.458 -5.948 1.00 0.00 C ATOM 1195 O SER A 79 -0.666 2.067 -5.652 1.00 0.00 O ATOM 1196 CB SER A 79 1.614 0.852 -7.483 1.00 0.00 C ATOM 1197 OG SER A 79 2.688 -0.060 -7.641 1.00 0.00 O ATOM 0 H SER A 79 0.590 0.128 -4.849 1.00 0.00 H new ATOM 0 HA SER A 79 2.556 2.014 -5.939 1.00 0.00 H new ATOM 0 HB2 SER A 79 0.668 0.337 -7.651 1.00 0.00 H new ATOM 0 HB3 SER A 79 1.687 1.639 -8.234 1.00 0.00 H new ATOM 0 HG SER A 79 2.661 -0.444 -8.542 1.00 0.00 H new ATOM 1203 N ILE A 80 0.755 3.736 -6.165 1.00 0.00 N ATOM 1204 CA ILE A 80 -0.260 4.777 -6.067 1.00 0.00 C ATOM 1205 C ILE A 80 -0.949 5.001 -7.409 1.00 0.00 C ATOM 1206 O ILE A 80 -0.291 5.144 -8.440 1.00 0.00 O ATOM 1207 CB ILE A 80 0.344 6.109 -5.584 1.00 0.00 C ATOM 1208 CG1 ILE A 80 1.302 5.866 -4.417 1.00 0.00 C ATOM 1209 CG2 ILE A 80 -0.760 7.075 -5.179 1.00 0.00 C ATOM 1210 CD1 ILE A 80 0.606 5.449 -3.140 1.00 0.00 C ATOM 0 H ILE A 80 1.685 4.075 -6.410 1.00 0.00 H new ATOM 0 HA ILE A 80 -0.994 4.435 -5.337 1.00 0.00 H new ATOM 0 HB ILE A 80 0.907 6.555 -6.404 1.00 0.00 H new ATOM 0 HG12 ILE A 80 2.018 5.094 -4.700 1.00 0.00 H new ATOM 0 HG13 ILE A 80 1.872 6.776 -4.230 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -0.318 8.012 -4.840 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -1.407 7.268 -6.035 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -1.348 6.638 -4.372 1.00 0.00 H new ATOM 0 HD11 ILE A 80 1.347 5.294 -2.356 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -0.090 6.230 -2.833 1.00 0.00 H new ATOM 0 HD13 ILE A 80 0.058 4.522 -3.310 1.00 0.00 H new ATOM 1222 N ARG A 81 -2.278 5.032 -7.388 1.00 0.00 N ATOM 1223 CA ARG A 81 -3.056 5.239 -8.603 1.00 0.00 C ATOM 1224 C ARG A 81 -3.965 6.457 -8.465 1.00 0.00 C ATOM 1225 O ARG A 81 -4.642 6.627 -7.452 1.00 0.00 O ATOM 1226 CB ARG A 81 -3.894 3.998 -8.916 1.00 0.00 C ATOM 1227 CG ARG A 81 -4.385 3.941 -10.353 1.00 0.00 C ATOM 1228 CD ARG A 81 -5.345 2.781 -10.568 1.00 0.00 C ATOM 1229 NE ARG A 81 -6.711 3.121 -10.180 1.00 0.00 N ATOM 1230 CZ ARG A 81 -7.789 2.642 -10.789 1.00 0.00 C ATOM 1231 NH1 ARG A 81 -7.661 1.805 -11.810 1.00 0.00 N ATOM 1232 NH2 ARG A 81 -8.999 2.999 -10.378 1.00 0.00 N ATOM 0 H ARG A 81 -2.838 4.916 -6.543 1.00 0.00 H new ATOM 0 HA ARG A 81 -2.361 5.416 -9.424 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -3.301 3.108 -8.708 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -4.753 3.972 -8.246 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -4.882 4.878 -10.606 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -3.534 3.840 -11.026 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -5.329 2.487 -11.618 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -5.008 1.920 -9.991 1.00 0.00 H new ATOM 0 HE ARG A 81 -6.844 3.762 -9.398 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -6.733 1.528 -12.129 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -8.491 1.438 -12.276 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -9.102 3.642 -9.593 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -9.826 2.630 -10.847 1.00 0.00 H new ATOM 1246 N ASN A 82 -3.975 7.301 -9.492 1.00 0.00 N ATOM 1247 CA ASN A 82 -4.799 8.504 -9.485 1.00 0.00 C ATOM 1248 C ASN A 82 -4.383 9.443 -8.356 1.00 0.00 C ATOM 1249 O ASN A 82 -5.205 9.913 -7.570 1.00 0.00 O ATOM 1250 CB ASN A 82 -6.276 8.134 -9.336 1.00 0.00 C ATOM 1251 CG ASN A 82 -6.835 7.470 -10.580 1.00 0.00 C ATOM 1252 OD1 ASN A 82 -6.802 6.247 -10.712 1.00 0.00 O ATOM 1253 ND2 ASN A 82 -7.350 8.277 -11.500 1.00 0.00 N ATOM 0 H ASN A 82 -3.422 7.174 -10.339 1.00 0.00 H new ATOM 0 HA ASN A 82 -4.653 9.019 -10.434 1.00 0.00 H new ATOM 0 HB2 ASN A 82 -6.396 7.464 -8.485 1.00 0.00 H new ATOM 0 HB3 ASN A 82 -6.852 9.033 -9.117 1.00 0.00 H new ATOM 0 HD21 ASN A 82 -7.740 7.888 -12.359 1.00 0.00 H new ATOM 0 HD22 ASN A 82 -7.356 9.286 -11.348 1.00 0.00 H new ATOM 1260 N PRO A 83 -3.074 9.724 -8.274 1.00 0.00 N ATOM 1261 CA PRO A 83 -2.517 10.609 -7.246 1.00 0.00 C ATOM 1262 C PRO A 83 -2.917 12.066 -7.459 1.00 0.00 C ATOM 1263 O PRO A 83 -2.577 12.670 -8.476 1.00 0.00 O ATOM 1264 CB PRO A 83 -1.005 10.440 -7.413 1.00 0.00 C ATOM 1265 CG PRO A 83 -0.825 10.020 -8.831 1.00 0.00 C ATOM 1266 CD PRO A 83 -2.036 9.199 -9.177 1.00 0.00 C ATOM 0 HA PRO A 83 -2.880 10.356 -6.250 1.00 0.00 H new ATOM 0 HB2 PRO A 83 -0.477 11.371 -7.206 1.00 0.00 H new ATOM 0 HB3 PRO A 83 -0.612 9.691 -6.725 1.00 0.00 H new ATOM 0 HG2 PRO A 83 -0.741 10.887 -9.487 1.00 0.00 H new ATOM 0 HG3 PRO A 83 0.089 9.438 -8.953 1.00 0.00 H new ATOM 0 HD2 PRO A 83 -2.316 9.318 -10.224 1.00 0.00 H new ATOM 0 HD3 PRO A 83 -1.861 8.136 -9.013 1.00 0.00 H new ATOM 1274 N ARG A 84 -3.639 12.623 -6.492 1.00 0.00 N ATOM 1275 CA ARG A 84 -4.085 14.009 -6.574 1.00 0.00 C ATOM 1276 C ARG A 84 -3.508 14.834 -5.427 1.00 0.00 C ATOM 1277 O ARG A 84 -3.562 14.428 -4.268 1.00 0.00 O ATOM 1278 CB ARG A 84 -5.613 14.078 -6.548 1.00 0.00 C ATOM 1279 CG ARG A 84 -6.166 15.459 -6.860 1.00 0.00 C ATOM 1280 CD ARG A 84 -6.063 15.777 -8.344 1.00 0.00 C ATOM 1281 NE ARG A 84 -7.017 15.006 -9.136 1.00 0.00 N ATOM 1282 CZ ARG A 84 -6.887 14.796 -10.442 1.00 0.00 C ATOM 1283 NH1 ARG A 84 -5.849 15.297 -11.097 1.00 0.00 N ATOM 1284 NH2 ARG A 84 -7.798 14.084 -11.094 1.00 0.00 N ATOM 0 H ARG A 84 -3.927 12.136 -5.643 1.00 0.00 H new ATOM 0 HA ARG A 84 -3.726 14.425 -7.515 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -6.013 13.365 -7.269 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -5.965 13.769 -5.564 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -7.208 15.514 -6.546 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -5.620 16.209 -6.287 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -6.239 16.841 -8.500 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -5.051 15.567 -8.690 1.00 0.00 H new ATOM 0 HE ARG A 84 -7.827 14.607 -8.661 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -5.148 15.845 -10.599 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -5.752 15.134 -12.099 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -8.598 13.698 -10.593 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -7.698 13.923 -12.096 1.00 0.00 H new ATOM 1298 N GLY A 85 -2.955 15.996 -5.761 1.00 0.00 N ATOM 1299 CA GLY A 85 -2.375 16.860 -4.749 1.00 0.00 C ATOM 1300 C GLY A 85 -0.951 16.473 -4.403 1.00 0.00 C ATOM 1301 O GLY A 85 -0.052 17.315 -4.408 1.00 0.00 O ATOM 0 H GLY A 85 -2.898 16.355 -6.714 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -2.392 17.891 -5.103 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -2.988 16.822 -3.848 1.00 0.00 H new ATOM 1305 N LEU A 86 -0.744 15.196 -4.099 1.00 0.00 N ATOM 1306 CA LEU A 86 0.581 14.699 -3.746 1.00 0.00 C ATOM 1307 C LEU A 86 1.488 14.651 -4.971 1.00 0.00 C ATOM 1308 O LEU A 86 1.074 14.217 -6.046 1.00 0.00 O ATOM 1309 CB LEU A 86 0.475 13.307 -3.120 1.00 0.00 C ATOM 1310 CG LEU A 86 -0.488 13.173 -1.940 1.00 0.00 C ATOM 1311 CD1 LEU A 86 -1.067 11.768 -1.881 1.00 0.00 C ATOM 1312 CD2 LEU A 86 0.215 13.517 -0.636 1.00 0.00 C ATOM 0 H LEU A 86 -1.477 14.486 -4.090 1.00 0.00 H new ATOM 0 HA LEU A 86 1.018 15.384 -3.020 1.00 0.00 H new ATOM 0 HB2 LEU A 86 0.168 12.605 -3.895 1.00 0.00 H new ATOM 0 HB3 LEU A 86 1.468 13.003 -2.789 1.00 0.00 H new ATOM 0 HG LEU A 86 -1.308 13.876 -2.083 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -1.750 11.691 -1.035 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -1.607 11.558 -2.804 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -0.259 11.046 -1.762 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -0.486 13.416 0.193 1.00 0.00 H new ATOM 0 HD22 LEU A 86 1.055 12.839 -0.486 1.00 0.00 H new ATOM 0 HD23 LEU A 86 0.580 14.543 -0.679 1.00 0.00 H new ATOM 1324 N SER A 87 2.728 15.098 -4.801 1.00 0.00 N ATOM 1325 CA SER A 87 3.694 15.107 -5.893 1.00 0.00 C ATOM 1326 C SER A 87 4.672 13.942 -5.764 1.00 0.00 C ATOM 1327 O SER A 87 4.661 13.216 -4.770 1.00 0.00 O ATOM 1328 CB SER A 87 4.461 16.431 -5.913 1.00 0.00 C ATOM 1329 OG SER A 87 4.888 16.753 -7.225 1.00 0.00 O ATOM 0 H SER A 87 3.087 15.459 -3.917 1.00 0.00 H new ATOM 0 HA SER A 87 3.147 14.998 -6.829 1.00 0.00 H new ATOM 0 HB2 SER A 87 3.826 17.229 -5.528 1.00 0.00 H new ATOM 0 HB3 SER A 87 5.325 16.364 -5.252 1.00 0.00 H new ATOM 0 HG SER A 87 5.374 17.604 -7.211 1.00 0.00 H new ATOM 1335 N ASP A 88 5.515 13.772 -6.776 1.00 0.00 N ATOM 1336 CA ASP A 88 6.501 12.697 -6.776 1.00 0.00 C ATOM 1337 C ASP A 88 7.196 12.596 -5.422 1.00 0.00 C ATOM 1338 O ASP A 88 7.376 11.503 -4.887 1.00 0.00 O ATOM 1339 CB ASP A 88 7.535 12.925 -7.879 1.00 0.00 C ATOM 1340 CG ASP A 88 6.895 13.162 -9.233 1.00 0.00 C ATOM 1341 OD1 ASP A 88 6.400 12.186 -9.835 1.00 0.00 O ATOM 1342 OD2 ASP A 88 6.889 14.324 -9.691 1.00 0.00 O ATOM 0 H ASP A 88 5.536 14.364 -7.606 1.00 0.00 H new ATOM 0 HA ASP A 88 5.979 11.759 -6.966 1.00 0.00 H new ATOM 0 HB2 ASP A 88 8.156 13.782 -7.619 1.00 0.00 H new ATOM 0 HB3 ASP A 88 8.195 12.060 -7.939 1.00 0.00 H new ATOM 1347 N GLU A 89 7.586 13.744 -4.876 1.00 0.00 N ATOM 1348 CA GLU A 89 8.264 13.784 -3.586 1.00 0.00 C ATOM 1349 C GLU A 89 7.401 13.151 -2.498 1.00 0.00 C ATOM 1350 O GLU A 89 7.723 12.083 -1.979 1.00 0.00 O ATOM 1351 CB GLU A 89 8.604 15.227 -3.208 1.00 0.00 C ATOM 1352 CG GLU A 89 9.838 15.351 -2.329 1.00 0.00 C ATOM 1353 CD GLU A 89 9.518 15.218 -0.853 1.00 0.00 C ATOM 1354 OE1 GLU A 89 8.519 14.547 -0.521 1.00 0.00 O ATOM 1355 OE2 GLU A 89 10.266 15.786 -0.030 1.00 0.00 O ATOM 0 H GLU A 89 7.444 14.658 -5.307 1.00 0.00 H new ATOM 0 HA GLU A 89 9.188 13.212 -3.672 1.00 0.00 H new ATOM 0 HB2 GLU A 89 8.757 15.806 -4.119 1.00 0.00 H new ATOM 0 HB3 GLU A 89 7.753 15.668 -2.689 1.00 0.00 H new ATOM 0 HG2 GLU A 89 10.559 14.584 -2.611 1.00 0.00 H new ATOM 0 HG3 GLU A 89 10.312 16.316 -2.509 1.00 0.00 H new ATOM 1362 N GLN A 90 6.303 13.820 -2.159 1.00 0.00 N ATOM 1363 CA GLN A 90 5.394 13.324 -1.132 1.00 0.00 C ATOM 1364 C GLN A 90 5.088 11.845 -1.344 1.00 0.00 C ATOM 1365 O GLN A 90 5.243 11.032 -0.432 1.00 0.00 O ATOM 1366 CB GLN A 90 4.095 14.132 -1.138 1.00 0.00 C ATOM 1367 CG GLN A 90 4.239 15.518 -0.530 1.00 0.00 C ATOM 1368 CD GLN A 90 2.911 16.238 -0.399 1.00 0.00 C ATOM 1369 OE1 GLN A 90 2.121 16.284 -1.342 1.00 0.00 O ATOM 1370 NE2 GLN A 90 2.658 16.804 0.775 1.00 0.00 N ATOM 0 H GLN A 90 6.022 14.706 -2.580 1.00 0.00 H new ATOM 0 HA GLN A 90 5.881 13.440 -0.164 1.00 0.00 H new ATOM 0 HB2 GLN A 90 3.742 14.229 -2.165 1.00 0.00 H new ATOM 0 HB3 GLN A 90 3.331 13.581 -0.589 1.00 0.00 H new ATOM 0 HG2 GLN A 90 4.701 15.433 0.454 1.00 0.00 H new ATOM 0 HG3 GLN A 90 4.912 16.113 -1.147 1.00 0.00 H new ATOM 0 HE21 GLN A 90 3.342 16.741 1.529 1.00 0.00 H new ATOM 0 HE22 GLN A 90 1.780 17.302 0.923 1.00 0.00 H new ATOM 1379 N ILE A 91 4.652 11.504 -2.552 1.00 0.00 N ATOM 1380 CA ILE A 91 4.325 10.123 -2.884 1.00 0.00 C ATOM 1381 C ILE A 91 5.454 9.179 -2.484 1.00 0.00 C ATOM 1382 O ILE A 91 5.251 8.244 -1.708 1.00 0.00 O ATOM 1383 CB ILE A 91 4.041 9.957 -4.388 1.00 0.00 C ATOM 1384 CG1 ILE A 91 2.811 10.772 -4.791 1.00 0.00 C ATOM 1385 CG2 ILE A 91 3.845 8.488 -4.731 1.00 0.00 C ATOM 1386 CD1 ILE A 91 2.578 10.817 -6.285 1.00 0.00 C ATOM 0 H ILE A 91 4.517 12.165 -3.317 1.00 0.00 H new ATOM 0 HA ILE A 91 3.426 9.869 -2.323 1.00 0.00 H new ATOM 0 HB ILE A 91 4.899 10.330 -4.947 1.00 0.00 H new ATOM 0 HG12 ILE A 91 1.931 10.349 -4.307 1.00 0.00 H new ATOM 0 HG13 ILE A 91 2.922 11.790 -4.418 1.00 0.00 H new ATOM 0 HG21 ILE A 91 3.645 8.387 -5.798 1.00 0.00 H new ATOM 0 HG22 ILE A 91 4.747 7.931 -4.477 1.00 0.00 H new ATOM 0 HG23 ILE A 91 3.002 8.091 -4.165 1.00 0.00 H new ATOM 0 HD11 ILE A 91 1.690 11.412 -6.497 1.00 0.00 H new ATOM 0 HD12 ILE A 91 3.441 11.267 -6.775 1.00 0.00 H new ATOM 0 HD13 ILE A 91 2.435 9.804 -6.662 1.00 0.00 H new ATOM 1398 N HIS A 92 6.645 9.431 -3.016 1.00 0.00 N ATOM 1399 CA HIS A 92 7.809 8.605 -2.713 1.00 0.00 C ATOM 1400 C HIS A 92 7.759 8.104 -1.272 1.00 0.00 C ATOM 1401 O HIS A 92 7.952 6.917 -1.009 1.00 0.00 O ATOM 1402 CB HIS A 92 9.097 9.395 -2.946 1.00 0.00 C ATOM 1403 CG HIS A 92 10.332 8.671 -2.506 1.00 0.00 C ATOM 1404 ND1 HIS A 92 11.244 8.134 -3.390 1.00 0.00 N ATOM 1405 CD2 HIS A 92 10.804 8.398 -1.268 1.00 0.00 C ATOM 1406 CE1 HIS A 92 12.223 7.560 -2.714 1.00 0.00 C ATOM 1407 NE2 HIS A 92 11.981 7.707 -1.424 1.00 0.00 N ATOM 0 H HIS A 92 6.830 10.201 -3.659 1.00 0.00 H new ATOM 0 HA HIS A 92 7.795 7.743 -3.380 1.00 0.00 H new ATOM 0 HB2 HIS A 92 9.182 9.630 -4.007 1.00 0.00 H new ATOM 0 HB3 HIS A 92 9.033 10.344 -2.413 1.00 0.00 H new ATOM 0 HD2 HIS A 92 10.342 8.672 -0.331 1.00 0.00 H new ATOM 0 HE1 HIS A 92 13.076 7.056 -3.143 1.00 0.00 H new ATOM 0 HE2 HIS A 92 12.572 7.363 -0.667 1.00 0.00 H new ATOM 1416 N THR A 93 7.499 9.018 -0.342 1.00 0.00 N ATOM 1417 CA THR A 93 7.425 8.670 1.071 1.00 0.00 C ATOM 1418 C THR A 93 6.311 7.664 1.333 1.00 0.00 C ATOM 1419 O THR A 93 6.521 6.650 2.000 1.00 0.00 O ATOM 1420 CB THR A 93 7.191 9.917 1.945 1.00 0.00 C ATOM 1421 OG1 THR A 93 8.172 10.916 1.646 1.00 0.00 O ATOM 1422 CG2 THR A 93 7.256 9.562 3.423 1.00 0.00 C ATOM 0 H THR A 93 7.336 10.005 -0.542 1.00 0.00 H new ATOM 0 HA THR A 93 8.383 8.223 1.336 1.00 0.00 H new ATOM 0 HB THR A 93 6.197 10.307 1.724 1.00 0.00 H new ATOM 0 HG1 THR A 93 8.015 11.706 2.204 1.00 0.00 H new ATOM 0 HG21 THR A 93 7.088 10.458 4.020 1.00 0.00 H new ATOM 0 HG22 THR A 93 6.489 8.823 3.654 1.00 0.00 H new ATOM 0 HG23 THR A 93 8.238 9.150 3.655 1.00 0.00 H new ATOM 1430 N ILE A 94 5.126 7.949 0.803 1.00 0.00 N ATOM 1431 CA ILE A 94 3.979 7.066 0.978 1.00 0.00 C ATOM 1432 C ILE A 94 4.346 5.619 0.666 1.00 0.00 C ATOM 1433 O ILE A 94 4.078 4.715 1.458 1.00 0.00 O ATOM 1434 CB ILE A 94 2.801 7.490 0.082 1.00 0.00 C ATOM 1435 CG1 ILE A 94 2.312 8.886 0.471 1.00 0.00 C ATOM 1436 CG2 ILE A 94 1.669 6.479 0.183 1.00 0.00 C ATOM 1437 CD1 ILE A 94 1.234 9.426 -0.442 1.00 0.00 C ATOM 0 H ILE A 94 4.935 8.784 0.249 1.00 0.00 H new ATOM 0 HA ILE A 94 3.677 7.144 2.022 1.00 0.00 H new ATOM 0 HB ILE A 94 3.143 7.521 -0.952 1.00 0.00 H new ATOM 0 HG12 ILE A 94 1.931 8.857 1.492 1.00 0.00 H new ATOM 0 HG13 ILE A 94 3.158 9.573 0.466 1.00 0.00 H new ATOM 0 HG21 ILE A 94 0.843 6.792 -0.456 1.00 0.00 H new ATOM 0 HG22 ILE A 94 2.025 5.500 -0.138 1.00 0.00 H new ATOM 0 HG23 ILE A 94 1.326 6.419 1.216 1.00 0.00 H new ATOM 0 HD11 ILE A 94 0.936 10.419 -0.106 1.00 0.00 H new ATOM 0 HD12 ILE A 94 1.617 9.488 -1.461 1.00 0.00 H new ATOM 0 HD13 ILE A 94 0.371 8.761 -0.419 1.00 0.00 H new ATOM 1449 N LEU A 95 4.963 5.408 -0.491 1.00 0.00 N ATOM 1450 CA LEU A 95 5.370 4.070 -0.908 1.00 0.00 C ATOM 1451 C LEU A 95 6.402 3.491 0.054 1.00 0.00 C ATOM 1452 O LEU A 95 6.145 2.494 0.728 1.00 0.00 O ATOM 1453 CB LEU A 95 5.942 4.108 -2.326 1.00 0.00 C ATOM 1454 CG LEU A 95 4.953 4.457 -3.439 1.00 0.00 C ATOM 1455 CD1 LEU A 95 5.686 5.016 -4.649 1.00 0.00 C ATOM 1456 CD2 LEU A 95 4.135 3.234 -3.828 1.00 0.00 C ATOM 0 H LEU A 95 5.193 6.145 -1.157 1.00 0.00 H new ATOM 0 HA LEU A 95 4.489 3.428 -0.896 1.00 0.00 H new ATOM 0 HB2 LEU A 95 6.755 4.834 -2.349 1.00 0.00 H new ATOM 0 HB3 LEU A 95 6.378 3.134 -2.547 1.00 0.00 H new ATOM 0 HG LEU A 95 4.272 5.222 -3.067 1.00 0.00 H new ATOM 0 HD11 LEU A 95 4.966 5.259 -5.431 1.00 0.00 H new ATOM 0 HD12 LEU A 95 6.227 5.917 -4.362 1.00 0.00 H new ATOM 0 HD13 LEU A 95 6.391 4.273 -5.023 1.00 0.00 H new ATOM 0 HD21 LEU A 95 3.437 3.501 -4.621 1.00 0.00 H new ATOM 0 HD22 LEU A 95 4.802 2.447 -4.181 1.00 0.00 H new ATOM 0 HD23 LEU A 95 3.580 2.877 -2.961 1.00 0.00 H new ATOM 1468 N GLN A 96 7.570 4.123 0.111 1.00 0.00 N ATOM 1469 CA GLN A 96 8.641 3.670 0.992 1.00 0.00 C ATOM 1470 C GLN A 96 8.076 3.115 2.295 1.00 0.00 C ATOM 1471 O GLN A 96 8.403 2.000 2.701 1.00 0.00 O ATOM 1472 CB GLN A 96 9.606 4.819 1.289 1.00 0.00 C ATOM 1473 CG GLN A 96 10.468 5.212 0.100 1.00 0.00 C ATOM 1474 CD GLN A 96 11.449 4.125 -0.294 1.00 0.00 C ATOM 1475 OE1 GLN A 96 11.612 3.133 0.416 1.00 0.00 O ATOM 1476 NE2 GLN A 96 12.109 4.308 -1.431 1.00 0.00 N ATOM 0 H GLN A 96 7.799 4.949 -0.442 1.00 0.00 H new ATOM 0 HA GLN A 96 9.183 2.872 0.483 1.00 0.00 H new ATOM 0 HB2 GLN A 96 9.034 5.688 1.615 1.00 0.00 H new ATOM 0 HB3 GLN A 96 10.253 4.534 2.118 1.00 0.00 H new ATOM 0 HG2 GLN A 96 9.825 5.442 -0.750 1.00 0.00 H new ATOM 0 HG3 GLN A 96 11.017 6.123 0.339 1.00 0.00 H new ATOM 0 HE21 GLN A 96 11.942 5.146 -1.988 1.00 0.00 H new ATOM 0 HE22 GLN A 96 12.783 3.611 -1.747 1.00 0.00 H new ATOM 1485 N VAL A 97 7.225 3.900 2.947 1.00 0.00 N ATOM 1486 CA VAL A 97 6.613 3.487 4.205 1.00 0.00 C ATOM 1487 C VAL A 97 5.779 2.224 4.021 1.00 0.00 C ATOM 1488 O VAL A 97 6.170 1.140 4.457 1.00 0.00 O ATOM 1489 CB VAL A 97 5.720 4.599 4.786 1.00 0.00 C ATOM 1490 CG1 VAL A 97 5.042 4.126 6.063 1.00 0.00 C ATOM 1491 CG2 VAL A 97 6.534 5.858 5.040 1.00 0.00 C ATOM 0 H VAL A 97 6.943 4.826 2.625 1.00 0.00 H new ATOM 0 HA VAL A 97 7.426 3.284 4.902 1.00 0.00 H new ATOM 0 HB VAL A 97 4.945 4.836 4.057 1.00 0.00 H new ATOM 0 HG11 VAL A 97 4.415 4.925 6.459 1.00 0.00 H new ATOM 0 HG12 VAL A 97 4.425 3.254 5.846 1.00 0.00 H new ATOM 0 HG13 VAL A 97 5.800 3.860 6.800 1.00 0.00 H new ATOM 0 HG21 VAL A 97 5.887 6.633 5.450 1.00 0.00 H new ATOM 0 HG22 VAL A 97 7.332 5.638 5.749 1.00 0.00 H new ATOM 0 HG23 VAL A 97 6.968 6.206 4.103 1.00 0.00 H new ATOM 1501 N LEU A 98 4.629 2.370 3.374 1.00 0.00 N ATOM 1502 CA LEU A 98 3.738 1.240 3.132 1.00 0.00 C ATOM 1503 C LEU A 98 4.534 -0.027 2.840 1.00 0.00 C ATOM 1504 O LEU A 98 4.192 -1.110 3.312 1.00 0.00 O ATOM 1505 CB LEU A 98 2.799 1.547 1.964 1.00 0.00 C ATOM 1506 CG LEU A 98 1.915 2.785 2.120 1.00 0.00 C ATOM 1507 CD1 LEU A 98 1.601 3.392 0.762 1.00 0.00 C ATOM 1508 CD2 LEU A 98 0.632 2.433 2.859 1.00 0.00 C ATOM 0 H LEU A 98 4.291 3.260 3.007 1.00 0.00 H new ATOM 0 HA LEU A 98 3.146 1.076 4.032 1.00 0.00 H new ATOM 0 HB2 LEU A 98 3.400 1.666 1.062 1.00 0.00 H new ATOM 0 HB3 LEU A 98 2.154 0.683 1.806 1.00 0.00 H new ATOM 0 HG LEU A 98 2.459 3.525 2.708 1.00 0.00 H new ATOM 0 HD11 LEU A 98 0.971 4.272 0.894 1.00 0.00 H new ATOM 0 HD12 LEU A 98 2.529 3.681 0.269 1.00 0.00 H new ATOM 0 HD13 LEU A 98 1.077 2.659 0.148 1.00 0.00 H new ATOM 0 HD21 LEU A 98 0.015 3.325 2.961 1.00 0.00 H new ATOM 0 HD22 LEU A 98 0.085 1.676 2.298 1.00 0.00 H new ATOM 0 HD23 LEU A 98 0.876 2.046 3.848 1.00 0.00 H new ATOM 1520 N GLY A 99 5.601 0.116 2.059 1.00 0.00 N ATOM 1521 CA GLY A 99 6.431 -1.025 1.719 1.00 0.00 C ATOM 1522 C GLY A 99 7.172 -1.581 2.919 1.00 0.00 C ATOM 1523 O GLY A 99 7.191 -2.792 3.140 1.00 0.00 O ATOM 0 H GLY A 99 5.905 1.002 1.656 1.00 0.00 H new ATOM 0 HA2 GLY A 99 5.808 -1.808 1.286 1.00 0.00 H new ATOM 0 HA3 GLY A 99 7.151 -0.732 0.955 1.00 0.00 H new ATOM 1527 N HIS A 100 7.786 -0.694 3.696 1.00 0.00 N ATOM 1528 CA HIS A 100 8.534 -1.103 4.880 1.00 0.00 C ATOM 1529 C HIS A 100 7.669 -1.961 5.799 1.00 0.00 C ATOM 1530 O HIS A 100 8.140 -2.942 6.374 1.00 0.00 O ATOM 1531 CB HIS A 100 9.042 0.124 5.637 1.00 0.00 C ATOM 1532 CG HIS A 100 9.222 -0.110 7.105 1.00 0.00 C ATOM 1533 ND1 HIS A 100 10.245 -0.874 7.626 1.00 0.00 N ATOM 1534 CD2 HIS A 100 8.502 0.325 8.166 1.00 0.00 C ATOM 1535 CE1 HIS A 100 10.146 -0.900 8.943 1.00 0.00 C ATOM 1536 NE2 HIS A 100 9.097 -0.179 9.296 1.00 0.00 N ATOM 0 H HIS A 100 7.780 0.312 3.527 1.00 0.00 H new ATOM 0 HA HIS A 100 9.387 -1.698 4.554 1.00 0.00 H new ATOM 0 HB2 HIS A 100 9.994 0.437 5.208 1.00 0.00 H new ATOM 0 HB3 HIS A 100 8.341 0.946 5.492 1.00 0.00 H new ATOM 0 HD2 HIS A 100 7.623 0.952 8.130 1.00 0.00 H new ATOM 0 HE1 HIS A 100 10.810 -1.422 9.616 1.00 0.00 H new ATOM 0 HE2 HIS A 100 8.780 -0.022 10.253 1.00 0.00 H new ATOM 1545 N VAL A 101 6.402 -1.583 5.933 1.00 0.00 N ATOM 1546 CA VAL A 101 5.471 -2.318 6.782 1.00 0.00 C ATOM 1547 C VAL A 101 5.336 -3.766 6.324 1.00 0.00 C ATOM 1548 O VAL A 101 5.300 -4.685 7.142 1.00 0.00 O ATOM 1549 CB VAL A 101 4.079 -1.660 6.788 1.00 0.00 C ATOM 1550 CG1 VAL A 101 3.115 -2.459 7.653 1.00 0.00 C ATOM 1551 CG2 VAL A 101 4.172 -0.220 7.270 1.00 0.00 C ATOM 0 H VAL A 101 5.996 -0.773 5.465 1.00 0.00 H new ATOM 0 HA VAL A 101 5.879 -2.297 7.793 1.00 0.00 H new ATOM 0 HB VAL A 101 3.695 -1.653 5.768 1.00 0.00 H new ATOM 0 HG11 VAL A 101 2.136 -1.979 7.646 1.00 0.00 H new ATOM 0 HG12 VAL A 101 3.026 -3.471 7.259 1.00 0.00 H new ATOM 0 HG13 VAL A 101 3.491 -2.500 8.675 1.00 0.00 H new ATOM 0 HG21 VAL A 101 3.179 0.229 7.268 1.00 0.00 H new ATOM 0 HG22 VAL A 101 4.577 -0.200 8.282 1.00 0.00 H new ATOM 0 HG23 VAL A 101 4.827 0.344 6.606 1.00 0.00 H new ATOM 1561 N ALA A 102 5.260 -3.961 5.012 1.00 0.00 N ATOM 1562 CA ALA A 102 5.131 -5.298 4.445 1.00 0.00 C ATOM 1563 C ALA A 102 6.373 -6.136 4.728 1.00 0.00 C ATOM 1564 O ALA A 102 6.299 -7.170 5.393 1.00 0.00 O ATOM 1565 CB ALA A 102 4.879 -5.213 2.947 1.00 0.00 C ATOM 0 H ALA A 102 5.285 -3.211 4.322 1.00 0.00 H new ATOM 0 HA ALA A 102 4.280 -5.787 4.919 1.00 0.00 H new ATOM 0 HB1 ALA A 102 4.785 -6.218 2.536 1.00 0.00 H new ATOM 0 HB2 ALA A 102 3.959 -4.658 2.764 1.00 0.00 H new ATOM 0 HB3 ALA A 102 5.713 -4.701 2.466 1.00 0.00 H new ATOM 1571 N LYS A 103 7.514 -5.686 4.217 1.00 0.00 N ATOM 1572 CA LYS A 103 8.773 -6.394 4.415 1.00 0.00 C ATOM 1573 C LYS A 103 8.980 -6.737 5.887 1.00 0.00 C ATOM 1574 O LYS A 103 9.464 -7.818 6.221 1.00 0.00 O ATOM 1575 CB LYS A 103 9.943 -5.548 3.908 1.00 0.00 C ATOM 1576 CG LYS A 103 10.009 -5.446 2.394 1.00 0.00 C ATOM 1577 CD LYS A 103 11.288 -4.764 1.937 1.00 0.00 C ATOM 1578 CE LYS A 103 11.101 -4.072 0.595 1.00 0.00 C ATOM 1579 NZ LYS A 103 10.099 -2.973 0.673 1.00 0.00 N ATOM 0 H LYS A 103 7.593 -4.834 3.662 1.00 0.00 H new ATOM 0 HA LYS A 103 8.731 -7.323 3.847 1.00 0.00 H new ATOM 0 HB2 LYS A 103 9.864 -4.545 4.328 1.00 0.00 H new ATOM 0 HB3 LYS A 103 10.876 -5.975 4.276 1.00 0.00 H new ATOM 0 HG2 LYS A 103 9.952 -6.443 1.958 1.00 0.00 H new ATOM 0 HG3 LYS A 103 9.147 -4.888 2.028 1.00 0.00 H new ATOM 0 HD2 LYS A 103 11.599 -4.034 2.684 1.00 0.00 H new ATOM 0 HD3 LYS A 103 12.087 -5.501 1.859 1.00 0.00 H new ATOM 0 HE2 LYS A 103 12.056 -3.669 0.258 1.00 0.00 H new ATOM 0 HE3 LYS A 103 10.782 -4.802 -0.149 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 10.299 -2.268 -0.065 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 9.145 -3.362 0.531 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 10.152 -2.520 1.608 1.00 0.00 H new ATOM 1593 N ALA A 104 8.608 -5.809 6.763 1.00 0.00 N ATOM 1594 CA ALA A 104 8.750 -6.015 8.199 1.00 0.00 C ATOM 1595 C ALA A 104 7.711 -7.004 8.717 1.00 0.00 C ATOM 1596 O ALA A 104 7.958 -7.732 9.678 1.00 0.00 O ATOM 1597 CB ALA A 104 8.632 -4.689 8.937 1.00 0.00 C ATOM 0 H ALA A 104 8.206 -4.908 6.503 1.00 0.00 H new ATOM 0 HA ALA A 104 9.738 -6.435 8.384 1.00 0.00 H new ATOM 0 HB1 ALA A 104 8.740 -4.858 10.008 1.00 0.00 H new ATOM 0 HB2 ALA A 104 9.415 -4.012 8.596 1.00 0.00 H new ATOM 0 HB3 ALA A 104 7.656 -4.246 8.736 1.00 0.00 H new ATOM 1603 N GLY A 105 6.547 -7.024 8.074 1.00 0.00 N ATOM 1604 CA GLY A 105 5.489 -7.928 8.485 1.00 0.00 C ATOM 1605 C GLY A 105 5.307 -9.084 7.523 1.00 0.00 C ATOM 1606 O GLY A 105 4.181 -9.445 7.179 1.00 0.00 O ATOM 0 H GLY A 105 6.318 -6.431 7.276 1.00 0.00 H new ATOM 0 HA2 GLY A 105 5.714 -8.318 9.478 1.00 0.00 H new ATOM 0 HA3 GLY A 105 4.553 -7.375 8.564 1.00 0.00 H new ATOM 1610 N LEU A 106 6.418 -9.667 7.084 1.00 0.00 N ATOM 1611 CA LEU A 106 6.377 -10.789 6.153 1.00 0.00 C ATOM 1612 C LEU A 106 5.904 -12.060 6.852 1.00 0.00 C ATOM 1613 O LEU A 106 6.060 -12.209 8.063 1.00 0.00 O ATOM 1614 CB LEU A 106 7.758 -11.017 5.537 1.00 0.00 C ATOM 1615 CG LEU A 106 8.042 -10.270 4.233 1.00 0.00 C ATOM 1616 CD1 LEU A 106 9.490 -10.466 3.810 1.00 0.00 C ATOM 1617 CD2 LEU A 106 7.096 -10.734 3.135 1.00 0.00 C ATOM 0 H LEU A 106 7.358 -9.381 7.358 1.00 0.00 H new ATOM 0 HA LEU A 106 5.668 -10.546 5.361 1.00 0.00 H new ATOM 0 HB2 LEU A 106 8.513 -10.729 6.269 1.00 0.00 H new ATOM 0 HB3 LEU A 106 7.881 -12.085 5.355 1.00 0.00 H new ATOM 0 HG LEU A 106 7.875 -9.206 4.403 1.00 0.00 H new ATOM 0 HD11 LEU A 106 9.674 -9.927 2.880 1.00 0.00 H new ATOM 0 HD12 LEU A 106 10.151 -10.084 4.588 1.00 0.00 H new ATOM 0 HD13 LEU A 106 9.684 -11.528 3.659 1.00 0.00 H new ATOM 0 HD21 LEU A 106 7.313 -10.192 2.215 1.00 0.00 H new ATOM 0 HD22 LEU A 106 7.230 -11.803 2.967 1.00 0.00 H new ATOM 0 HD23 LEU A 106 6.066 -10.541 3.436 1.00 0.00 H new ATOM 1629 N GLY A 107 5.326 -12.975 6.079 1.00 0.00 N ATOM 1630 CA GLY A 107 4.841 -14.222 6.641 1.00 0.00 C ATOM 1631 C GLY A 107 3.454 -14.088 7.238 1.00 0.00 C ATOM 1632 O GLY A 107 2.625 -14.989 7.109 1.00 0.00 O ATOM 0 H GLY A 107 5.185 -12.875 5.074 1.00 0.00 H new ATOM 0 HA2 GLY A 107 4.826 -14.986 5.864 1.00 0.00 H new ATOM 0 HA3 GLY A 107 5.533 -14.564 7.411 1.00 0.00 H new ATOM 1636 N THR A 108 3.201 -12.961 7.896 1.00 0.00 N ATOM 1637 CA THR A 108 1.906 -12.714 8.517 1.00 0.00 C ATOM 1638 C THR A 108 1.074 -11.743 7.687 1.00 0.00 C ATOM 1639 O THR A 108 1.599 -11.047 6.818 1.00 0.00 O ATOM 1640 CB THR A 108 2.065 -12.148 9.941 1.00 0.00 C ATOM 1641 OG1 THR A 108 2.680 -10.856 9.889 1.00 0.00 O ATOM 1642 CG2 THR A 108 2.903 -13.080 10.803 1.00 0.00 C ATOM 0 H THR A 108 3.876 -12.205 8.012 1.00 0.00 H new ATOM 0 HA THR A 108 1.393 -13.674 8.570 1.00 0.00 H new ATOM 0 HB THR A 108 1.074 -12.060 10.386 1.00 0.00 H new ATOM 0 HG1 THR A 108 2.776 -10.503 10.798 1.00 0.00 H new ATOM 0 HG21 THR A 108 3.002 -12.660 11.804 1.00 0.00 H new ATOM 0 HG22 THR A 108 2.417 -14.054 10.865 1.00 0.00 H new ATOM 0 HG23 THR A 108 3.892 -13.195 10.359 1.00 0.00 H new ATOM 1650 N ALA A 109 -0.226 -11.700 7.961 1.00 0.00 N ATOM 1651 CA ALA A 109 -1.130 -10.812 7.241 1.00 0.00 C ATOM 1652 C ALA A 109 -0.696 -9.357 7.380 1.00 0.00 C ATOM 1653 O ALA A 109 -0.755 -8.783 8.468 1.00 0.00 O ATOM 1654 CB ALA A 109 -2.555 -10.990 7.742 1.00 0.00 C ATOM 0 H ALA A 109 -0.676 -12.270 8.677 1.00 0.00 H new ATOM 0 HA ALA A 109 -1.093 -11.075 6.184 1.00 0.00 H new ATOM 0 HB1 ALA A 109 -3.219 -10.321 7.195 1.00 0.00 H new ATOM 0 HB2 ALA A 109 -2.870 -12.022 7.585 1.00 0.00 H new ATOM 0 HB3 ALA A 109 -2.599 -10.756 8.806 1.00 0.00 H new ATOM 1660 N MET A 110 -0.260 -8.765 6.273 1.00 0.00 N ATOM 1661 CA MET A 110 0.184 -7.376 6.273 1.00 0.00 C ATOM 1662 C MET A 110 -0.876 -6.467 5.658 1.00 0.00 C ATOM 1663 O MET A 110 -1.063 -5.331 6.095 1.00 0.00 O ATOM 1664 CB MET A 110 1.499 -7.238 5.504 1.00 0.00 C ATOM 1665 CG MET A 110 1.398 -7.661 4.047 1.00 0.00 C ATOM 1666 SD MET A 110 2.991 -8.138 3.351 1.00 0.00 S ATOM 1667 CE MET A 110 3.227 -9.742 4.112 1.00 0.00 C ATOM 0 H MET A 110 -0.205 -9.225 5.365 1.00 0.00 H new ATOM 0 HA MET A 110 0.343 -7.072 7.307 1.00 0.00 H new ATOM 0 HB2 MET A 110 1.831 -6.201 5.551 1.00 0.00 H new ATOM 0 HB3 MET A 110 2.263 -7.839 5.996 1.00 0.00 H new ATOM 0 HG2 MET A 110 0.704 -8.497 3.963 1.00 0.00 H new ATOM 0 HG3 MET A 110 0.981 -6.841 3.462 1.00 0.00 H new ATOM 0 HE1 MET A 110 3.736 -10.405 3.413 1.00 0.00 H new ATOM 0 HE2 MET A 110 3.831 -9.632 5.013 1.00 0.00 H new ATOM 0 HE3 MET A 110 2.258 -10.166 4.374 1.00 0.00 H new ATOM 1677 N LEU A 111 -1.567 -6.974 4.643 1.00 0.00 N ATOM 1678 CA LEU A 111 -2.608 -6.207 3.968 1.00 0.00 C ATOM 1679 C LEU A 111 -3.338 -5.298 4.951 1.00 0.00 C ATOM 1680 O LEU A 111 -3.224 -4.074 4.882 1.00 0.00 O ATOM 1681 CB LEU A 111 -3.605 -7.150 3.291 1.00 0.00 C ATOM 1682 CG LEU A 111 -3.125 -7.822 2.004 1.00 0.00 C ATOM 1683 CD1 LEU A 111 -4.062 -8.954 1.612 1.00 0.00 C ATOM 1684 CD2 LEU A 111 -3.016 -6.803 0.879 1.00 0.00 C ATOM 0 H LEU A 111 -1.425 -7.913 4.269 1.00 0.00 H new ATOM 0 HA LEU A 111 -2.133 -5.584 3.210 1.00 0.00 H new ATOM 0 HB2 LEU A 111 -3.880 -7.928 4.003 1.00 0.00 H new ATOM 0 HB3 LEU A 111 -4.512 -6.588 3.068 1.00 0.00 H new ATOM 0 HG LEU A 111 -2.135 -8.242 2.183 1.00 0.00 H new ATOM 0 HD11 LEU A 111 -3.705 -9.421 0.694 1.00 0.00 H new ATOM 0 HD12 LEU A 111 -4.089 -9.696 2.410 1.00 0.00 H new ATOM 0 HD13 LEU A 111 -5.064 -8.557 1.451 1.00 0.00 H new ATOM 0 HD21 LEU A 111 -2.673 -7.299 -0.029 1.00 0.00 H new ATOM 0 HD22 LEU A 111 -3.992 -6.353 0.700 1.00 0.00 H new ATOM 0 HD23 LEU A 111 -2.304 -6.026 1.159 1.00 0.00 H new ATOM 1696 N TYR A 112 -4.087 -5.904 5.866 1.00 0.00 N ATOM 1697 CA TYR A 112 -4.836 -5.149 6.863 1.00 0.00 C ATOM 1698 C TYR A 112 -3.991 -4.015 7.436 1.00 0.00 C ATOM 1699 O TYR A 112 -4.479 -2.903 7.635 1.00 0.00 O ATOM 1700 CB TYR A 112 -5.300 -6.072 7.990 1.00 0.00 C ATOM 1701 CG TYR A 112 -6.139 -5.375 9.038 1.00 0.00 C ATOM 1702 CD1 TYR A 112 -5.548 -4.781 10.146 1.00 0.00 C ATOM 1703 CD2 TYR A 112 -7.522 -5.312 8.920 1.00 0.00 C ATOM 1704 CE1 TYR A 112 -6.310 -4.144 11.106 1.00 0.00 C ATOM 1705 CE2 TYR A 112 -8.291 -4.675 9.874 1.00 0.00 C ATOM 1706 CZ TYR A 112 -7.681 -4.093 10.965 1.00 0.00 C ATOM 1707 OH TYR A 112 -8.444 -3.459 11.919 1.00 0.00 O ATOM 0 H TYR A 112 -4.191 -6.916 5.938 1.00 0.00 H new ATOM 0 HA TYR A 112 -5.709 -4.717 6.373 1.00 0.00 H new ATOM 0 HB2 TYR A 112 -5.876 -6.892 7.562 1.00 0.00 H new ATOM 0 HB3 TYR A 112 -4.426 -6.513 8.470 1.00 0.00 H new ATOM 0 HD1 TYR A 112 -4.475 -4.818 10.259 1.00 0.00 H new ATOM 0 HD2 TYR A 112 -8.004 -5.769 8.068 1.00 0.00 H new ATOM 0 HE1 TYR A 112 -5.835 -3.688 11.962 1.00 0.00 H new ATOM 0 HE2 TYR A 112 -9.365 -4.633 9.766 1.00 0.00 H new ATOM 0 HH TYR A 112 -9.390 -3.512 11.669 1.00 0.00 H new ATOM 1717 N GLU A 113 -2.720 -4.306 7.697 1.00 0.00 N ATOM 1718 CA GLU A 113 -1.807 -3.311 8.246 1.00 0.00 C ATOM 1719 C GLU A 113 -1.472 -2.246 7.206 1.00 0.00 C ATOM 1720 O GLU A 113 -1.834 -1.078 7.359 1.00 0.00 O ATOM 1721 CB GLU A 113 -0.522 -3.982 8.736 1.00 0.00 C ATOM 1722 CG GLU A 113 -0.610 -4.498 10.162 1.00 0.00 C ATOM 1723 CD GLU A 113 0.667 -5.178 10.617 1.00 0.00 C ATOM 1724 OE1 GLU A 113 1.719 -4.505 10.643 1.00 0.00 O ATOM 1725 OE2 GLU A 113 0.615 -6.381 10.947 1.00 0.00 O ATOM 0 H GLU A 113 -2.300 -5.222 7.537 1.00 0.00 H new ATOM 0 HA GLU A 113 -2.301 -2.828 9.089 1.00 0.00 H new ATOM 0 HB2 GLU A 113 -0.280 -4.812 8.073 1.00 0.00 H new ATOM 0 HB3 GLU A 113 0.299 -3.269 8.667 1.00 0.00 H new ATOM 0 HG2 GLU A 113 -0.833 -3.667 10.832 1.00 0.00 H new ATOM 0 HG3 GLU A 113 -1.439 -5.201 10.239 1.00 0.00 H new ATOM 1732 N LEU A 114 -0.780 -2.656 6.150 1.00 0.00 N ATOM 1733 CA LEU A 114 -0.395 -1.737 5.083 1.00 0.00 C ATOM 1734 C LEU A 114 -1.491 -0.707 4.830 1.00 0.00 C ATOM 1735 O LEU A 114 -1.212 0.476 4.637 1.00 0.00 O ATOM 1736 CB LEU A 114 -0.101 -2.512 3.798 1.00 0.00 C ATOM 1737 CG LEU A 114 1.032 -3.536 3.875 1.00 0.00 C ATOM 1738 CD1 LEU A 114 1.042 -4.416 2.635 1.00 0.00 C ATOM 1739 CD2 LEU A 114 2.373 -2.835 4.044 1.00 0.00 C ATOM 0 H LEU A 114 -0.473 -3.618 6.008 1.00 0.00 H new ATOM 0 HA LEU A 114 0.507 -1.211 5.397 1.00 0.00 H new ATOM 0 HB2 LEU A 114 -1.011 -3.029 3.493 1.00 0.00 H new ATOM 0 HB3 LEU A 114 0.137 -1.795 3.012 1.00 0.00 H new ATOM 0 HG LEU A 114 0.863 -4.171 4.745 1.00 0.00 H new ATOM 0 HD11 LEU A 114 1.855 -5.138 2.708 1.00 0.00 H new ATOM 0 HD12 LEU A 114 0.092 -4.945 2.557 1.00 0.00 H new ATOM 0 HD13 LEU A 114 1.186 -3.796 1.750 1.00 0.00 H new ATOM 0 HD21 LEU A 114 3.168 -3.579 4.097 1.00 0.00 H new ATOM 0 HD22 LEU A 114 2.549 -2.176 3.194 1.00 0.00 H new ATOM 0 HD23 LEU A 114 2.363 -2.248 4.962 1.00 0.00 H new ATOM 1751 N ILE A 115 -2.739 -1.165 4.836 1.00 0.00 N ATOM 1752 CA ILE A 115 -3.877 -0.282 4.610 1.00 0.00 C ATOM 1753 C ILE A 115 -3.977 0.775 5.704 1.00 0.00 C ATOM 1754 O ILE A 115 -4.127 1.963 5.420 1.00 0.00 O ATOM 1755 CB ILE A 115 -5.198 -1.071 4.552 1.00 0.00 C ATOM 1756 CG1 ILE A 115 -5.145 -2.116 3.435 1.00 0.00 C ATOM 1757 CG2 ILE A 115 -6.371 -0.125 4.343 1.00 0.00 C ATOM 1758 CD1 ILE A 115 -6.095 -3.274 3.645 1.00 0.00 C ATOM 0 H ILE A 115 -2.987 -2.141 4.995 1.00 0.00 H new ATOM 0 HA ILE A 115 -3.713 0.207 3.650 1.00 0.00 H new ATOM 0 HB ILE A 115 -5.337 -1.588 5.502 1.00 0.00 H new ATOM 0 HG12 ILE A 115 -5.378 -1.633 2.486 1.00 0.00 H new ATOM 0 HG13 ILE A 115 -4.128 -2.501 3.356 1.00 0.00 H new ATOM 0 HG21 ILE A 115 -7.298 -0.698 4.304 1.00 0.00 H new ATOM 0 HG22 ILE A 115 -6.417 0.585 5.169 1.00 0.00 H new ATOM 0 HG23 ILE A 115 -6.239 0.416 3.406 1.00 0.00 H new ATOM 0 HD11 ILE A 115 -6.003 -3.975 2.815 1.00 0.00 H new ATOM 0 HD12 ILE A 115 -5.849 -3.782 4.578 1.00 0.00 H new ATOM 0 HD13 ILE A 115 -7.118 -2.901 3.694 1.00 0.00 H new ATOM 1770 N GLU A 116 -3.892 0.335 6.955 1.00 0.00 N ATOM 1771 CA GLU A 116 -3.972 1.245 8.092 1.00 0.00 C ATOM 1772 C GLU A 116 -2.949 2.370 7.961 1.00 0.00 C ATOM 1773 O GLU A 116 -3.308 3.530 7.760 1.00 0.00 O ATOM 1774 CB GLU A 116 -3.745 0.484 9.400 1.00 0.00 C ATOM 1775 CG GLU A 116 -4.934 -0.361 9.826 1.00 0.00 C ATOM 1776 CD GLU A 116 -6.019 0.456 10.501 1.00 0.00 C ATOM 1777 OE1 GLU A 116 -6.719 1.210 9.793 1.00 0.00 O ATOM 1778 OE2 GLU A 116 -6.167 0.341 11.735 1.00 0.00 O ATOM 0 H GLU A 116 -3.768 -0.645 7.207 1.00 0.00 H new ATOM 0 HA GLU A 116 -4.970 1.684 8.104 1.00 0.00 H new ATOM 0 HB2 GLU A 116 -2.873 -0.160 9.289 1.00 0.00 H new ATOM 0 HB3 GLU A 116 -3.515 1.198 10.191 1.00 0.00 H new ATOM 0 HG2 GLU A 116 -5.352 -0.861 8.952 1.00 0.00 H new ATOM 0 HG3 GLU A 116 -4.595 -1.141 10.508 1.00 0.00 H new ATOM 1785 N LYS A 117 -1.673 2.018 8.079 1.00 0.00 N ATOM 1786 CA LYS A 117 -0.597 2.996 7.974 1.00 0.00 C ATOM 1787 C LYS A 117 -0.919 4.049 6.919 1.00 0.00 C ATOM 1788 O LYS A 117 -0.983 5.241 7.217 1.00 0.00 O ATOM 1789 CB LYS A 117 0.721 2.299 7.627 1.00 0.00 C ATOM 1790 CG LYS A 117 1.862 3.261 7.345 1.00 0.00 C ATOM 1791 CD LYS A 117 2.584 3.660 8.621 1.00 0.00 C ATOM 1792 CE LYS A 117 3.350 2.490 9.218 1.00 0.00 C ATOM 1793 NZ LYS A 117 2.532 1.740 10.211 1.00 0.00 N ATOM 0 H LYS A 117 -1.359 1.062 8.247 1.00 0.00 H new ATOM 0 HA LYS A 117 -0.496 3.493 8.939 1.00 0.00 H new ATOM 0 HB2 LYS A 117 1.004 1.644 8.451 1.00 0.00 H new ATOM 0 HB3 LYS A 117 0.568 1.664 6.754 1.00 0.00 H new ATOM 0 HG2 LYS A 117 2.568 2.797 6.656 1.00 0.00 H new ATOM 0 HG3 LYS A 117 1.474 4.152 6.852 1.00 0.00 H new ATOM 0 HD2 LYS A 117 3.273 4.477 8.410 1.00 0.00 H new ATOM 0 HD3 LYS A 117 1.862 4.032 9.348 1.00 0.00 H new ATOM 0 HE2 LYS A 117 3.662 1.815 8.421 1.00 0.00 H new ATOM 0 HE3 LYS A 117 4.257 2.857 9.698 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 3.106 1.543 11.055 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 1.705 2.310 10.480 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 2.213 0.843 9.792 1.00 0.00 H new ATOM 1807 N GLY A 118 -1.123 3.600 5.683 1.00 0.00 N ATOM 1808 CA GLY A 118 -1.438 4.517 4.604 1.00 0.00 C ATOM 1809 C GLY A 118 -2.354 5.642 5.046 1.00 0.00 C ATOM 1810 O GLY A 118 -2.191 6.787 4.626 1.00 0.00 O ATOM 0 H GLY A 118 -1.076 2.618 5.411 1.00 0.00 H new ATOM 0 HA2 GLY A 118 -0.514 4.939 4.209 1.00 0.00 H new ATOM 0 HA3 GLY A 118 -1.910 3.967 3.790 1.00 0.00 H new ATOM 1814 N LYS A 119 -3.321 5.315 5.897 1.00 0.00 N ATOM 1815 CA LYS A 119 -4.267 6.305 6.397 1.00 0.00 C ATOM 1816 C LYS A 119 -3.552 7.376 7.215 1.00 0.00 C ATOM 1817 O LYS A 119 -3.836 8.566 7.080 1.00 0.00 O ATOM 1818 CB LYS A 119 -5.341 5.629 7.251 1.00 0.00 C ATOM 1819 CG LYS A 119 -6.269 4.726 6.457 1.00 0.00 C ATOM 1820 CD LYS A 119 -7.017 3.760 7.362 1.00 0.00 C ATOM 1821 CE LYS A 119 -8.385 3.412 6.797 1.00 0.00 C ATOM 1822 NZ LYS A 119 -8.285 2.504 5.621 1.00 0.00 N ATOM 0 H LYS A 119 -3.470 4.371 6.255 1.00 0.00 H new ATOM 0 HA LYS A 119 -4.741 6.783 5.540 1.00 0.00 H new ATOM 0 HB2 LYS A 119 -4.857 5.042 8.032 1.00 0.00 H new ATOM 0 HB3 LYS A 119 -5.933 6.396 7.750 1.00 0.00 H new ATOM 0 HG2 LYS A 119 -6.984 5.334 5.903 1.00 0.00 H new ATOM 0 HG3 LYS A 119 -5.691 4.165 5.723 1.00 0.00 H new ATOM 0 HD2 LYS A 119 -6.431 2.849 7.487 1.00 0.00 H new ATOM 0 HD3 LYS A 119 -7.133 4.202 8.351 1.00 0.00 H new ATOM 0 HE2 LYS A 119 -8.988 2.938 7.572 1.00 0.00 H new ATOM 0 HE3 LYS A 119 -8.901 4.327 6.506 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 -9.127 2.619 5.021 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 -7.434 2.739 5.072 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 -8.225 1.518 5.948 1.00 0.00 H new ATOM 1836 N GLU A 120 -2.623 6.945 8.063 1.00 0.00 N ATOM 1837 CA GLU A 120 -1.867 7.868 8.901 1.00 0.00 C ATOM 1838 C GLU A 120 -0.927 8.724 8.058 1.00 0.00 C ATOM 1839 O GLU A 120 -0.705 9.898 8.356 1.00 0.00 O ATOM 1840 CB GLU A 120 -1.067 7.098 9.954 1.00 0.00 C ATOM 1841 CG GLU A 120 0.366 6.809 9.539 1.00 0.00 C ATOM 1842 CD GLU A 120 1.180 6.180 10.652 1.00 0.00 C ATOM 1843 OE1 GLU A 120 0.716 5.177 11.233 1.00 0.00 O ATOM 1844 OE2 GLU A 120 2.283 6.691 10.941 1.00 0.00 O ATOM 0 H GLU A 120 -2.376 5.963 8.188 1.00 0.00 H new ATOM 0 HA GLU A 120 -2.576 8.526 9.403 1.00 0.00 H new ATOM 0 HB2 GLU A 120 -1.059 7.670 10.882 1.00 0.00 H new ATOM 0 HB3 GLU A 120 -1.572 6.156 10.165 1.00 0.00 H new ATOM 0 HG2 GLU A 120 0.363 6.144 8.676 1.00 0.00 H new ATOM 0 HG3 GLU A 120 0.843 7.737 9.225 1.00 0.00 H new ATOM 1851 N ILE A 121 -0.378 8.128 7.005 1.00 0.00 N ATOM 1852 CA ILE A 121 0.538 8.836 6.119 1.00 0.00 C ATOM 1853 C ILE A 121 -0.159 10.000 5.424 1.00 0.00 C ATOM 1854 O ILE A 121 0.386 11.101 5.335 1.00 0.00 O ATOM 1855 CB ILE A 121 1.128 7.895 5.052 1.00 0.00 C ATOM 1856 CG1 ILE A 121 2.017 6.837 5.709 1.00 0.00 C ATOM 1857 CG2 ILE A 121 1.915 8.690 4.021 1.00 0.00 C ATOM 1858 CD1 ILE A 121 2.452 5.741 4.762 1.00 0.00 C ATOM 0 H ILE A 121 -0.551 7.157 6.745 1.00 0.00 H new ATOM 0 HA ILE A 121 1.346 9.219 6.742 1.00 0.00 H new ATOM 0 HB ILE A 121 0.308 7.388 4.543 1.00 0.00 H new ATOM 0 HG12 ILE A 121 2.902 7.322 6.121 1.00 0.00 H new ATOM 0 HG13 ILE A 121 1.479 6.391 6.546 1.00 0.00 H new ATOM 0 HG21 ILE A 121 2.326 8.011 3.274 1.00 0.00 H new ATOM 0 HG22 ILE A 121 1.255 9.409 3.535 1.00 0.00 H new ATOM 0 HG23 ILE A 121 2.729 9.221 4.515 1.00 0.00 H new ATOM 0 HD11 ILE A 121 3.079 5.027 5.296 1.00 0.00 H new ATOM 0 HD12 ILE A 121 1.573 5.230 4.369 1.00 0.00 H new ATOM 0 HD13 ILE A 121 3.018 6.176 3.938 1.00 0.00 H new ATOM 1870 N LEU A 122 -1.369 9.751 4.934 1.00 0.00 N ATOM 1871 CA LEU A 122 -2.144 10.779 4.248 1.00 0.00 C ATOM 1872 C LEU A 122 -2.720 11.781 5.244 1.00 0.00 C ATOM 1873 O LEU A 122 -2.725 12.987 4.996 1.00 0.00 O ATOM 1874 CB LEU A 122 -3.273 10.140 3.438 1.00 0.00 C ATOM 1875 CG LEU A 122 -4.446 11.054 3.086 1.00 0.00 C ATOM 1876 CD1 LEU A 122 -3.993 12.170 2.157 1.00 0.00 C ATOM 1877 CD2 LEU A 122 -5.574 10.254 2.450 1.00 0.00 C ATOM 0 H LEU A 122 -1.834 8.846 4.999 1.00 0.00 H new ATOM 0 HA LEU A 122 -1.476 11.311 3.570 1.00 0.00 H new ATOM 0 HB2 LEU A 122 -2.852 9.749 2.512 1.00 0.00 H new ATOM 0 HB3 LEU A 122 -3.658 9.288 3.998 1.00 0.00 H new ATOM 0 HG LEU A 122 -4.820 11.503 4.006 1.00 0.00 H new ATOM 0 HD11 LEU A 122 -4.842 12.811 1.917 1.00 0.00 H new ATOM 0 HD12 LEU A 122 -3.220 12.761 2.648 1.00 0.00 H new ATOM 0 HD13 LEU A 122 -3.593 11.739 1.239 1.00 0.00 H new ATOM 0 HD21 LEU A 122 -6.401 10.921 2.206 1.00 0.00 H new ATOM 0 HD22 LEU A 122 -5.213 9.776 1.539 1.00 0.00 H new ATOM 0 HD23 LEU A 122 -5.918 9.491 3.148 1.00 0.00 H new ATOM 1889 N THR A 123 -3.206 11.273 6.373 1.00 0.00 N ATOM 1890 CA THR A 123 -3.784 12.123 7.406 1.00 0.00 C ATOM 1891 C THR A 123 -2.850 13.275 7.757 1.00 0.00 C ATOM 1892 O THR A 123 -3.298 14.383 8.050 1.00 0.00 O ATOM 1893 CB THR A 123 -4.094 11.321 8.684 1.00 0.00 C ATOM 1894 OG1 THR A 123 -5.030 10.277 8.393 1.00 0.00 O ATOM 1895 CG2 THR A 123 -4.658 12.227 9.768 1.00 0.00 C ATOM 0 H THR A 123 -3.211 10.277 6.595 1.00 0.00 H new ATOM 0 HA THR A 123 -4.714 12.523 7.002 1.00 0.00 H new ATOM 0 HB THR A 123 -3.164 10.883 9.046 1.00 0.00 H new ATOM 0 HG1 THR A 123 -4.555 9.423 8.320 1.00 0.00 H new ATOM 0 HG21 THR A 123 -4.869 11.638 10.661 1.00 0.00 H new ATOM 0 HG22 THR A 123 -3.931 13.003 10.008 1.00 0.00 H new ATOM 0 HG23 THR A 123 -5.579 12.690 9.413 1.00 0.00 H new ATOM 1903 N ASP A 124 -1.549 13.007 7.725 1.00 0.00 N ATOM 1904 CA ASP A 124 -0.551 14.023 8.038 1.00 0.00 C ATOM 1905 C ASP A 124 -0.398 15.009 6.884 1.00 0.00 C ATOM 1906 O ASP A 124 -0.477 16.221 7.077 1.00 0.00 O ATOM 1907 CB ASP A 124 0.796 13.367 8.346 1.00 0.00 C ATOM 1908 CG ASP A 124 1.967 14.286 8.059 1.00 0.00 C ATOM 1909 OD1 ASP A 124 2.242 14.543 6.869 1.00 0.00 O ATOM 1910 OD2 ASP A 124 2.609 14.749 9.026 1.00 0.00 O ATOM 0 H ASP A 124 -1.161 12.095 7.485 1.00 0.00 H new ATOM 0 HA ASP A 124 -0.890 14.571 8.917 1.00 0.00 H new ATOM 0 HB2 ASP A 124 0.820 13.069 9.394 1.00 0.00 H new ATOM 0 HB3 ASP A 124 0.898 12.458 7.754 1.00 0.00 H new ATOM 1915 N ASN A 125 -0.179 14.479 5.685 1.00 0.00 N ATOM 1916 CA ASN A 125 -0.014 15.313 4.500 1.00 0.00 C ATOM 1917 C ASN A 125 -1.339 15.480 3.763 1.00 0.00 C ATOM 1918 O ASN A 125 -1.384 15.458 2.534 1.00 0.00 O ATOM 1919 CB ASN A 125 1.031 14.703 3.563 1.00 0.00 C ATOM 1920 CG ASN A 125 0.640 13.318 3.085 1.00 0.00 C ATOM 1921 OD1 ASN A 125 -0.510 13.078 2.717 1.00 0.00 O ATOM 1922 ND2 ASN A 125 1.598 12.398 3.089 1.00 0.00 N ATOM 0 H ASN A 125 -0.112 13.477 5.508 1.00 0.00 H new ATOM 0 HA ASN A 125 0.327 16.296 4.823 1.00 0.00 H new ATOM 0 HB2 ASN A 125 1.168 15.357 2.701 1.00 0.00 H new ATOM 0 HB3 ASN A 125 1.990 14.649 4.078 1.00 0.00 H new ATOM 0 HD21 ASN A 125 1.394 11.448 2.779 1.00 0.00 H new ATOM 0 HD22 ASN A 125 2.538 12.641 3.402 1.00 0.00 H new ATOM 1929 N ASN A 126 -2.416 15.646 4.523 1.00 0.00 N ATOM 1930 CA ASN A 126 -3.743 15.817 3.943 1.00 0.00 C ATOM 1931 C ASN A 126 -3.774 17.015 2.999 1.00 0.00 C ATOM 1932 O ASN A 126 -4.547 17.043 2.041 1.00 0.00 O ATOM 1933 CB ASN A 126 -4.786 15.997 5.047 1.00 0.00 C ATOM 1934 CG ASN A 126 -6.047 16.675 4.547 1.00 0.00 C ATOM 1935 OD1 ASN A 126 -6.479 16.452 3.416 1.00 0.00 O ATOM 1936 ND2 ASN A 126 -6.643 17.511 5.390 1.00 0.00 N ATOM 0 H ASN A 126 -2.396 15.666 5.543 1.00 0.00 H new ATOM 0 HA ASN A 126 -3.980 14.920 3.371 1.00 0.00 H new ATOM 0 HB2 ASN A 126 -5.042 15.023 5.464 1.00 0.00 H new ATOM 0 HB3 ASN A 126 -4.356 16.587 5.856 1.00 0.00 H new ATOM 0 HD21 ASN A 126 -7.494 17.998 5.109 1.00 0.00 H new ATOM 0 HD22 ASN A 126 -6.250 17.666 6.318 1.00 0.00 H new ATOM 1943 N ILE A 127 -2.927 18.001 3.275 1.00 0.00 N ATOM 1944 CA ILE A 127 -2.857 19.201 2.450 1.00 0.00 C ATOM 1945 C ILE A 127 -1.843 19.033 1.323 1.00 0.00 C ATOM 1946 O ILE A 127 -0.686 18.675 1.544 1.00 0.00 O ATOM 1947 CB ILE A 127 -2.479 20.438 3.286 1.00 0.00 C ATOM 1948 CG1 ILE A 127 -3.585 20.755 4.295 1.00 0.00 C ATOM 1949 CG2 ILE A 127 -2.224 21.632 2.379 1.00 0.00 C ATOM 1950 CD1 ILE A 127 -3.408 20.056 5.625 1.00 0.00 C ATOM 0 H ILE A 127 -2.280 17.993 4.063 1.00 0.00 H new ATOM 0 HA ILE A 127 -3.849 19.351 2.024 1.00 0.00 H new ATOM 0 HB ILE A 127 -1.563 20.222 3.835 1.00 0.00 H new ATOM 0 HG12 ILE A 127 -3.616 21.832 4.461 1.00 0.00 H new ATOM 0 HG13 ILE A 127 -4.547 20.470 3.869 1.00 0.00 H new ATOM 0 HG21 ILE A 127 -1.958 22.499 2.984 1.00 0.00 H new ATOM 0 HG22 ILE A 127 -1.406 21.402 1.696 1.00 0.00 H new ATOM 0 HG23 ILE A 127 -3.125 21.852 1.806 1.00 0.00 H new ATOM 0 HD11 ILE A 127 -4.228 20.327 6.290 1.00 0.00 H new ATOM 0 HD12 ILE A 127 -3.407 18.977 5.472 1.00 0.00 H new ATOM 0 HD13 ILE A 127 -2.462 20.360 6.073 1.00 0.00 H new ATOM 1962 N PRO A 128 -2.284 19.301 0.086 1.00 0.00 N ATOM 1963 CA PRO A 128 -1.431 19.190 -1.101 1.00 0.00 C ATOM 1964 C PRO A 128 -0.356 20.271 -1.145 1.00 0.00 C ATOM 1965 O PRO A 128 0.769 20.024 -1.582 1.00 0.00 O ATOM 1966 CB PRO A 128 -2.412 19.364 -2.262 1.00 0.00 C ATOM 1967 CG PRO A 128 -3.539 20.154 -1.691 1.00 0.00 C ATOM 1968 CD PRO A 128 -3.651 19.733 -0.251 1.00 0.00 C ATOM 0 HA PRO A 128 -0.886 18.246 -1.124 1.00 0.00 H new ATOM 0 HB2 PRO A 128 -1.947 19.886 -3.098 1.00 0.00 H new ATOM 0 HB3 PRO A 128 -2.755 18.400 -2.638 1.00 0.00 H new ATOM 0 HG2 PRO A 128 -3.346 21.224 -1.771 1.00 0.00 H new ATOM 0 HG3 PRO A 128 -4.466 19.956 -2.229 1.00 0.00 H new ATOM 0 HD2 PRO A 128 -3.980 20.556 0.384 1.00 0.00 H new ATOM 0 HD3 PRO A 128 -4.371 18.924 -0.124 1.00 0.00 H new ATOM 1976 N HIS A 129 -0.709 21.469 -0.690 1.00 0.00 N ATOM 1977 CA HIS A 129 0.227 22.587 -0.676 1.00 0.00 C ATOM 1978 C HIS A 129 1.611 22.133 -0.222 1.00 0.00 C ATOM 1979 O HIS A 129 2.603 22.338 -0.920 1.00 0.00 O ATOM 1980 CB HIS A 129 -0.285 23.697 0.242 1.00 0.00 C ATOM 1981 CG HIS A 129 -1.159 24.695 -0.454 1.00 0.00 C ATOM 1982 ND1 HIS A 129 -2.173 25.380 0.182 1.00 0.00 N ATOM 1983 CD2 HIS A 129 -1.165 25.123 -1.738 1.00 0.00 C ATOM 1984 CE1 HIS A 129 -2.766 26.185 -0.681 1.00 0.00 C ATOM 1985 NE2 HIS A 129 -2.173 26.048 -1.854 1.00 0.00 N ATOM 0 H HIS A 129 -1.636 21.690 -0.326 1.00 0.00 H new ATOM 0 HA HIS A 129 0.307 22.974 -1.692 1.00 0.00 H new ATOM 0 HB2 HIS A 129 -0.843 23.249 1.064 1.00 0.00 H new ATOM 0 HB3 HIS A 129 0.567 24.216 0.681 1.00 0.00 H new ATOM 0 HD2 HIS A 129 -0.501 24.798 -2.525 1.00 0.00 H new ATOM 0 HE1 HIS A 129 -3.595 26.843 -0.465 1.00 0.00 H new ATOM 0 HE2 HIS A 129 -2.423 26.548 -2.707 1.00 0.00 H new ATOM 1994 N GLY A 130 1.669 21.515 0.954 1.00 0.00 N ATOM 1995 CA GLY A 130 2.936 21.042 1.482 1.00 0.00 C ATOM 1996 C GLY A 130 3.483 21.944 2.570 1.00 0.00 C ATOM 1997 O GLY A 130 2.740 22.711 3.180 1.00 0.00 O ATOM 0 H GLY A 130 0.862 21.333 1.550 1.00 0.00 H new ATOM 0 HA2 GLY A 130 2.807 20.035 1.879 1.00 0.00 H new ATOM 0 HA3 GLY A 130 3.662 20.974 0.671 1.00 0.00 H new ATOM 2001 N GLN A 131 4.786 21.849 2.815 1.00 0.00 N ATOM 2002 CA GLN A 131 5.431 22.662 3.840 1.00 0.00 C ATOM 2003 C GLN A 131 5.961 23.964 3.248 1.00 0.00 C ATOM 2004 O GLN A 131 5.666 25.050 3.748 1.00 0.00 O ATOM 2005 CB GLN A 131 6.574 21.883 4.494 1.00 0.00 C ATOM 2006 CG GLN A 131 6.107 20.879 5.536 1.00 0.00 C ATOM 2007 CD GLN A 131 7.027 19.680 5.644 1.00 0.00 C ATOM 2008 OE1 GLN A 131 7.912 19.484 4.809 1.00 0.00 O ATOM 2009 NE2 GLN A 131 6.824 18.868 6.675 1.00 0.00 N ATOM 0 H GLN A 131 5.415 21.218 2.319 1.00 0.00 H new ATOM 0 HA GLN A 131 4.686 22.905 4.598 1.00 0.00 H new ATOM 0 HB2 GLN A 131 7.134 21.358 3.720 1.00 0.00 H new ATOM 0 HB3 GLN A 131 7.261 22.587 4.962 1.00 0.00 H new ATOM 0 HG2 GLN A 131 6.043 21.371 6.506 1.00 0.00 H new ATOM 0 HG3 GLN A 131 5.102 20.540 5.284 1.00 0.00 H new ATOM 0 HE21 GLN A 131 6.080 19.068 7.343 1.00 0.00 H new ATOM 0 HE22 GLN A 131 7.413 18.044 6.799 1.00 0.00 H new ATOM 2018 N SER A 132 6.745 23.848 2.181 1.00 0.00 N ATOM 2019 CA SER A 132 7.320 25.016 1.524 1.00 0.00 C ATOM 2020 C SER A 132 6.664 25.253 0.167 1.00 0.00 C ATOM 2021 O SER A 132 6.101 26.318 -0.085 1.00 0.00 O ATOM 2022 CB SER A 132 8.829 24.838 1.350 1.00 0.00 C ATOM 2023 OG SER A 132 9.426 26.017 0.837 1.00 0.00 O ATOM 0 H SER A 132 6.997 22.957 1.753 1.00 0.00 H new ATOM 0 HA SER A 132 7.135 25.886 2.155 1.00 0.00 H new ATOM 0 HB2 SER A 132 9.281 24.585 2.309 1.00 0.00 H new ATOM 0 HB3 SER A 132 9.025 24.004 0.675 1.00 0.00 H new ATOM 0 HG SER A 132 10.391 25.878 0.737 1.00 0.00 H new ATOM 2029 N GLY A 133 6.742 24.252 -0.704 1.00 0.00 N ATOM 2030 CA GLY A 133 6.152 24.370 -2.025 1.00 0.00 C ATOM 2031 C GLY A 133 7.173 24.204 -3.132 1.00 0.00 C ATOM 2032 O GLY A 133 8.375 24.377 -2.929 1.00 0.00 O ATOM 0 H GLY A 133 7.203 23.361 -0.519 1.00 0.00 H new ATOM 0 HA2 GLY A 133 5.371 23.618 -2.139 1.00 0.00 H new ATOM 0 HA3 GLY A 133 5.673 25.344 -2.120 1.00 0.00 H new ATOM 2036 N PRO A 134 6.695 23.858 -4.337 1.00 0.00 N ATOM 2037 CA PRO A 134 7.559 23.660 -5.505 1.00 0.00 C ATOM 2038 C PRO A 134 8.160 24.967 -6.010 1.00 0.00 C ATOM 2039 O PRO A 134 8.905 24.981 -6.989 1.00 0.00 O ATOM 2040 CB PRO A 134 6.611 23.068 -6.551 1.00 0.00 C ATOM 2041 CG PRO A 134 5.259 23.551 -6.153 1.00 0.00 C ATOM 2042 CD PRO A 134 5.274 23.635 -4.652 1.00 0.00 C ATOM 0 HA PRO A 134 8.414 23.024 -5.276 1.00 0.00 H new ATOM 0 HB2 PRO A 134 6.871 23.402 -7.555 1.00 0.00 H new ATOM 0 HB3 PRO A 134 6.657 21.979 -6.556 1.00 0.00 H new ATOM 0 HG2 PRO A 134 5.046 24.524 -6.596 1.00 0.00 H new ATOM 0 HG3 PRO A 134 4.483 22.867 -6.498 1.00 0.00 H new ATOM 0 HD2 PRO A 134 4.649 24.451 -4.289 1.00 0.00 H new ATOM 0 HD3 PRO A 134 4.900 22.719 -4.195 1.00 0.00 H new ATOM 2050 N SER A 135 7.832 26.064 -5.334 1.00 0.00 N ATOM 2051 CA SER A 135 8.337 27.377 -5.717 1.00 0.00 C ATOM 2052 C SER A 135 9.516 27.783 -4.838 1.00 0.00 C ATOM 2053 O SER A 135 9.338 28.195 -3.692 1.00 0.00 O ATOM 2054 CB SER A 135 7.226 28.424 -5.615 1.00 0.00 C ATOM 2055 OG SER A 135 7.653 29.673 -6.131 1.00 0.00 O ATOM 0 H SER A 135 7.219 26.069 -4.519 1.00 0.00 H new ATOM 0 HA SER A 135 8.679 27.320 -6.750 1.00 0.00 H new ATOM 0 HB2 SER A 135 6.348 28.082 -6.163 1.00 0.00 H new ATOM 0 HB3 SER A 135 6.926 28.541 -4.573 1.00 0.00 H new ATOM 0 HG SER A 135 6.925 30.324 -6.056 1.00 0.00 H new ATOM 2061 N SER A 136 10.722 27.663 -5.385 1.00 0.00 N ATOM 2062 CA SER A 136 11.932 28.013 -4.650 1.00 0.00 C ATOM 2063 C SER A 136 12.780 29.005 -5.441 1.00 0.00 C ATOM 2064 O SER A 136 13.393 28.651 -6.447 1.00 0.00 O ATOM 2065 CB SER A 136 12.750 26.757 -4.344 1.00 0.00 C ATOM 2066 OG SER A 136 13.894 27.069 -3.568 1.00 0.00 O ATOM 0 H SER A 136 10.887 27.326 -6.334 1.00 0.00 H new ATOM 0 HA SER A 136 11.635 28.482 -3.712 1.00 0.00 H new ATOM 0 HB2 SER A 136 12.130 26.037 -3.810 1.00 0.00 H new ATOM 0 HB3 SER A 136 13.057 26.283 -5.276 1.00 0.00 H new ATOM 0 HG SER A 136 14.399 26.249 -3.385 1.00 0.00 H new ATOM 2072 N GLY A 137 12.809 30.251 -4.977 1.00 0.00 N ATOM 2073 CA GLY A 137 13.584 31.276 -5.652 1.00 0.00 C ATOM 2074 C GLY A 137 15.000 31.377 -5.120 1.00 0.00 C ATOM 2075 O GLY A 137 15.775 32.227 -5.558 1.00 0.00 O ATOM 0 H GLY A 137 12.310 30.569 -4.146 1.00 0.00 H new ATOM 0 HA2 GLY A 137 13.615 31.059 -6.720 1.00 0.00 H new ATOM 0 HA3 GLY A 137 13.086 32.239 -5.536 1.00 0.00 H new TER 2079 GLY A 137