USER MOD reduce.3.24.130724 H: found=0, std=0, add=964, rem=0, adj=37 USER MOD reduce.3.24.130724 removed 962 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 71 CYS SG : rot 166:sc= -3.81 USER MOD Set 1.2: A 116 SER OG : rot 164:sc= -0.631 USER MOD Set 2.1: A 76 SER OG : rot -79:sc= 1.52 USER MOD Set 2.2: A 80 THR OG1 : rot -173:sc= 0.215 USER MOD Set 3.1: A 45 HIS : no HD1:sc= -0.0602 X(o=-0.06,f=-0.022) USER MOD Set 3.2: A 46 SER OG : rot 180:sc= 0 USER MOD Set 4.1: A 16 HIS : no HD1:sc= -1.95 K(o=-4.2,f=-1.7) USER MOD Set 4.2: A 98 GLN : amide:sc= -2.27 K(o=-4.2,f=-8.1!) USER MOD Set 5.1: A 5 SER OG : rot 180:sc=-0.00147 USER MOD Set 5.2: A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 1 GLY N :NH3+ -129:sc= 0.0554 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ -128:sc= -1.52! (180deg=-4.76!) USER MOD Single : A 31 SER OG : rot 180:sc= -0.112 USER MOD Single : A 36 LYS NZ :NH3+ 157:sc= -4.15! (180deg=-6.2!) USER MOD Single : A 37 GLN : amide:sc= 0 K(o=0,f=-0.74) USER MOD Single : A 38 MET CE :methyl -147:sc= -0.79 (180deg=-3.88) USER MOD Single : A 39 TYR OH : rot 165:sc= -0.322 USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 TYR OH : rot 180:sc= -0.72 USER MOD Single : A 51 LYS NZ :NH3+ 146:sc= 0.742 (180deg=0.228) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 GLN : amide:sc= -1.02 K(o=-1,f=-0.29) USER MOD Single : A 57 THR OG1 : rot 180:sc= -0.123 USER MOD Single : A 58 THR OG1 : rot 180:sc= 0.0322 USER MOD Single : A 60 SER OG : rot 180:sc= 0.00893 USER MOD Single : A 64 GLN : amide:sc=-0.00667 K(o=-0.0067,f=-0.68) USER MOD Single : A 67 SER OG : rot 26:sc= 0.781 USER MOD Single : A 69 ASN : amide:sc= 0 X(o=0,f=-0.073) USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 LYS NZ :NH3+ -156:sc= -0.129 (180deg=-0.897) USER MOD Single : A 84 ASN : amide:sc= -6.48! C(o=-6.5!,f=-8.7!) USER MOD Single : A 89 THR OG1 : rot 180:sc= 0 USER MOD Single : A 90 THR OG1 : rot -59:sc= 1.34 USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 93 CYS SG : rot 5:sc= -0.989 USER MOD Single : A 95 CYS SG : rot 100:sc= 1.03 USER MOD Single : A 105 MET CE :methyl 178:sc= -2.21! (180deg=-2.21!) USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 THR OG1 : rot -150:sc= 0 USER MOD Single : A 113 GLN : amide:sc= -0.395 K(o=-0.4,f=-1.9!) USER MOD Single : A 115 SER OG : rot 180:sc= 0 USER MOD Single : A 117 ASN : amide:sc= -1.89! C(o=-1.9!,f=-9.3!) USER MOD Single : A 119 ASN : amide:sc= -2.68! C(o=-2.7!,f=-5.6!) USER MOD Single : A 120 SER OG : rot 180:sc= 0 USER MOD Single : A 123 SER OG : rot 180:sc= 0 USER MOD Single : A 124 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -17.437 -12.779 -1.680 1.00 0.00 N ATOM 2 CA GLY A 1 -16.676 -11.981 -2.624 1.00 0.00 C ATOM 3 C GLY A 1 -15.181 -12.197 -2.493 1.00 0.00 C ATOM 4 O GLY A 1 -14.738 -13.214 -1.960 1.00 0.00 O ATOM 0 H1 GLY A 1 -18.181 -13.300 -2.187 1.00 0.00 H new ATOM 0 H2 GLY A 1 -16.803 -13.453 -1.205 1.00 0.00 H new ATOM 0 H3 GLY A 1 -17.873 -12.156 -0.971 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -16.988 -12.228 -3.639 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -16.903 -10.926 -2.469 1.00 0.00 H new ATOM 8 N SER A 2 -14.402 -11.238 -2.982 1.00 0.00 N ATOM 9 CA SER A 2 -12.948 -11.330 -2.923 1.00 0.00 C ATOM 10 C SER A 2 -12.459 -12.629 -3.556 1.00 0.00 C ATOM 11 O SER A 2 -11.656 -13.355 -2.970 1.00 0.00 O ATOM 12 CB SER A 2 -12.469 -11.246 -1.472 1.00 0.00 C ATOM 13 OG SER A 2 -11.154 -10.722 -1.398 1.00 0.00 O ATOM 0 H SER A 2 -14.753 -10.388 -3.424 1.00 0.00 H new ATOM 0 HA SER A 2 -12.533 -10.493 -3.485 1.00 0.00 H new ATOM 0 HB2 SER A 2 -13.148 -10.616 -0.898 1.00 0.00 H new ATOM 0 HB3 SER A 2 -12.495 -12.237 -1.019 1.00 0.00 H new ATOM 0 HG SER A 2 -10.872 -10.677 -0.461 1.00 0.00 H new ATOM 19 N SER A 3 -12.951 -12.916 -4.758 1.00 0.00 N ATOM 20 CA SER A 3 -12.568 -14.129 -5.470 1.00 0.00 C ATOM 21 C SER A 3 -12.206 -13.817 -6.919 1.00 0.00 C ATOM 22 O SER A 3 -12.743 -12.886 -7.518 1.00 0.00 O ATOM 23 CB SER A 3 -13.705 -15.152 -5.426 1.00 0.00 C ATOM 24 OG SER A 3 -13.377 -16.312 -6.171 1.00 0.00 O ATOM 0 H SER A 3 -13.615 -12.325 -5.258 1.00 0.00 H new ATOM 0 HA SER A 3 -11.691 -14.549 -4.977 1.00 0.00 H new ATOM 0 HB2 SER A 3 -13.911 -15.427 -4.392 1.00 0.00 H new ATOM 0 HB3 SER A 3 -14.616 -14.705 -5.825 1.00 0.00 H new ATOM 0 HG SER A 3 -14.119 -16.951 -6.126 1.00 0.00 H new ATOM 30 N GLY A 4 -11.291 -14.603 -7.477 1.00 0.00 N ATOM 31 CA GLY A 4 -10.872 -14.396 -8.851 1.00 0.00 C ATOM 32 C GLY A 4 -10.378 -15.671 -9.506 1.00 0.00 C ATOM 33 O GLY A 4 -10.251 -16.704 -8.849 1.00 0.00 O ATOM 0 H GLY A 4 -10.832 -15.380 -7.002 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -11.707 -13.996 -9.426 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -10.080 -13.648 -8.877 1.00 0.00 H new ATOM 37 N SER A 5 -10.102 -15.599 -10.804 1.00 0.00 N ATOM 38 CA SER A 5 -9.625 -16.758 -11.549 1.00 0.00 C ATOM 39 C SER A 5 -8.167 -16.576 -11.961 1.00 0.00 C ATOM 40 O SER A 5 -7.373 -17.516 -11.905 1.00 0.00 O ATOM 41 CB SER A 5 -10.492 -16.985 -12.789 1.00 0.00 C ATOM 42 OG SER A 5 -10.410 -15.885 -13.677 1.00 0.00 O ATOM 0 H SER A 5 -10.200 -14.750 -11.361 1.00 0.00 H new ATOM 0 HA SER A 5 -9.695 -17.631 -10.900 1.00 0.00 H new ATOM 0 HB2 SER A 5 -10.171 -17.893 -13.299 1.00 0.00 H new ATOM 0 HB3 SER A 5 -11.529 -17.137 -12.489 1.00 0.00 H new ATOM 0 HG SER A 5 -10.972 -16.056 -14.462 1.00 0.00 H new ATOM 48 N SER A 6 -7.822 -15.361 -12.373 1.00 0.00 N ATOM 49 CA SER A 6 -6.460 -15.056 -12.798 1.00 0.00 C ATOM 50 C SER A 6 -5.774 -14.129 -11.799 1.00 0.00 C ATOM 51 O SER A 6 -6.243 -13.022 -11.538 1.00 0.00 O ATOM 52 CB SER A 6 -6.469 -14.411 -14.186 1.00 0.00 C ATOM 53 OG SER A 6 -7.134 -15.236 -15.127 1.00 0.00 O ATOM 0 H SER A 6 -8.466 -14.571 -12.422 1.00 0.00 H new ATOM 0 HA SER A 6 -5.902 -15.991 -12.843 1.00 0.00 H new ATOM 0 HB2 SER A 6 -6.962 -13.440 -14.136 1.00 0.00 H new ATOM 0 HB3 SER A 6 -5.445 -14.232 -14.514 1.00 0.00 H new ATOM 0 HG SER A 6 -7.128 -14.801 -16.005 1.00 0.00 H new ATOM 59 N GLY A 7 -4.659 -14.592 -11.242 1.00 0.00 N ATOM 60 CA GLY A 7 -3.925 -13.793 -10.278 1.00 0.00 C ATOM 61 C GLY A 7 -4.643 -13.688 -8.947 1.00 0.00 C ATOM 62 O GLY A 7 -5.425 -12.763 -8.727 1.00 0.00 O ATOM 0 H GLY A 7 -4.251 -15.505 -11.441 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -2.939 -14.232 -10.122 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -3.769 -12.793 -10.683 1.00 0.00 H new ATOM 66 N ASP A 8 -4.378 -14.638 -8.057 1.00 0.00 N ATOM 67 CA ASP A 8 -5.005 -14.648 -6.740 1.00 0.00 C ATOM 68 C ASP A 8 -4.548 -13.452 -5.911 1.00 0.00 C ATOM 69 O ASP A 8 -3.548 -13.524 -5.198 1.00 0.00 O ATOM 70 CB ASP A 8 -4.677 -15.949 -6.006 1.00 0.00 C ATOM 71 CG ASP A 8 -4.938 -17.176 -6.856 1.00 0.00 C ATOM 72 OD1 ASP A 8 -6.072 -17.317 -7.361 1.00 0.00 O ATOM 73 OD2 ASP A 8 -4.010 -17.996 -7.016 1.00 0.00 O ATOM 0 H ASP A 8 -3.734 -15.411 -8.223 1.00 0.00 H new ATOM 0 HA ASP A 8 -6.084 -14.580 -6.878 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -3.630 -15.937 -5.702 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -5.272 -16.009 -5.095 1.00 0.00 H new ATOM 78 N ALA A 9 -5.288 -12.352 -6.011 1.00 0.00 N ATOM 79 CA ALA A 9 -4.959 -11.141 -5.270 1.00 0.00 C ATOM 80 C ALA A 9 -6.129 -10.163 -5.269 1.00 0.00 C ATOM 81 O ALA A 9 -6.530 -9.659 -6.317 1.00 0.00 O ATOM 82 CB ALA A 9 -3.720 -10.482 -5.858 1.00 0.00 C ATOM 0 H ALA A 9 -6.119 -12.275 -6.598 1.00 0.00 H new ATOM 0 HA ALA A 9 -4.753 -11.422 -4.237 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -3.486 -9.579 -5.295 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -2.879 -11.173 -5.801 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -3.906 -10.222 -6.900 1.00 0.00 H new ATOM 88 N ALA A 10 -6.674 -9.901 -4.085 1.00 0.00 N ATOM 89 CA ALA A 10 -7.798 -8.983 -3.948 1.00 0.00 C ATOM 90 C ALA A 10 -7.689 -7.830 -4.940 1.00 0.00 C ATOM 91 O ALA A 10 -8.664 -7.472 -5.601 1.00 0.00 O ATOM 92 CB ALA A 10 -7.874 -8.451 -2.524 1.00 0.00 C ATOM 0 H ALA A 10 -6.355 -10.312 -3.207 1.00 0.00 H new ATOM 0 HA ALA A 10 -8.713 -9.532 -4.169 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -8.718 -7.767 -2.436 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -8.007 -9.282 -1.832 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -6.952 -7.922 -2.283 1.00 0.00 H new ATOM 98 N LYS A 11 -6.497 -7.251 -5.039 1.00 0.00 N ATOM 99 CA LYS A 11 -6.260 -6.138 -5.951 1.00 0.00 C ATOM 100 C LYS A 11 -4.778 -6.021 -6.293 1.00 0.00 C ATOM 101 O LYS A 11 -3.927 -6.577 -5.600 1.00 0.00 O ATOM 102 CB LYS A 11 -6.756 -4.830 -5.332 1.00 0.00 C ATOM 103 CG LYS A 11 -6.793 -3.669 -6.311 1.00 0.00 C ATOM 104 CD LYS A 11 -7.890 -2.678 -5.960 1.00 0.00 C ATOM 105 CE LYS A 11 -7.671 -1.338 -6.646 1.00 0.00 C ATOM 106 NZ LYS A 11 -8.316 -1.290 -7.988 1.00 0.00 N ATOM 0 H LYS A 11 -5.680 -7.534 -4.499 1.00 0.00 H new ATOM 0 HA LYS A 11 -6.813 -6.330 -6.870 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -7.756 -4.985 -4.928 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -6.111 -4.567 -4.494 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -5.829 -3.161 -6.311 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -6.953 -4.048 -7.320 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -8.857 -3.085 -6.255 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -7.920 -2.534 -4.880 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -8.073 -0.540 -6.021 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -6.602 -1.154 -6.750 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -8.144 -0.361 -8.423 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -7.915 -2.035 -8.593 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -9.340 -1.440 -7.887 1.00 0.00 H new ATOM 120 N GLU A 12 -4.478 -5.294 -7.364 1.00 0.00 N ATOM 121 CA GLU A 12 -3.098 -5.105 -7.796 1.00 0.00 C ATOM 122 C GLU A 12 -2.977 -3.894 -8.717 1.00 0.00 C ATOM 123 O GLU A 12 -3.922 -3.538 -9.420 1.00 0.00 O ATOM 124 CB GLU A 12 -2.588 -6.357 -8.512 1.00 0.00 C ATOM 125 CG GLU A 12 -3.359 -6.691 -9.778 1.00 0.00 C ATOM 126 CD GLU A 12 -3.141 -8.120 -10.234 1.00 0.00 C ATOM 127 OE1 GLU A 12 -1.974 -8.565 -10.255 1.00 0.00 O ATOM 128 OE2 GLU A 12 -4.137 -8.794 -10.570 1.00 0.00 O ATOM 0 H GLU A 12 -5.171 -4.826 -7.948 1.00 0.00 H new ATOM 0 HA GLU A 12 -2.488 -4.928 -6.910 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -1.536 -6.219 -8.763 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -2.644 -7.204 -7.829 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -4.423 -6.527 -9.605 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -3.057 -6.010 -10.573 1.00 0.00 H new ATOM 135 N GLY A 13 -1.806 -3.264 -8.707 1.00 0.00 N ATOM 136 CA GLY A 13 -1.583 -2.100 -9.544 1.00 0.00 C ATOM 137 C GLY A 13 -0.358 -1.311 -9.125 1.00 0.00 C ATOM 138 O GLY A 13 0.046 -1.351 -7.963 1.00 0.00 O ATOM 0 H GLY A 13 -1.008 -3.539 -8.134 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -1.470 -2.418 -10.580 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -2.460 -1.453 -9.503 1.00 0.00 H new ATOM 142 N TRP A 14 0.234 -0.594 -10.073 1.00 0.00 N ATOM 143 CA TRP A 14 1.421 0.207 -9.796 1.00 0.00 C ATOM 144 C TRP A 14 1.085 1.382 -8.885 1.00 0.00 C ATOM 145 O TRP A 14 0.324 2.275 -9.262 1.00 0.00 O ATOM 146 CB TRP A 14 2.034 0.717 -11.102 1.00 0.00 C ATOM 147 CG TRP A 14 2.640 -0.370 -11.937 1.00 0.00 C ATOM 148 CD1 TRP A 14 2.000 -1.149 -12.859 1.00 0.00 C ATOM 149 CD2 TRP A 14 4.006 -0.799 -11.926 1.00 0.00 C ATOM 150 NE1 TRP A 14 2.886 -2.036 -13.421 1.00 0.00 N ATOM 151 CE2 TRP A 14 4.123 -1.841 -12.867 1.00 0.00 C ATOM 152 CE3 TRP A 14 5.142 -0.403 -11.215 1.00 0.00 C ATOM 153 CZ2 TRP A 14 5.330 -2.490 -13.111 1.00 0.00 C ATOM 154 CZ3 TRP A 14 6.339 -1.048 -11.459 1.00 0.00 C ATOM 155 CH2 TRP A 14 6.426 -2.082 -12.401 1.00 0.00 C ATOM 0 H TRP A 14 -0.088 -0.551 -11.040 1.00 0.00 H new ATOM 0 HA TRP A 14 2.146 -0.428 -9.286 1.00 0.00 H new ATOM 0 HB2 TRP A 14 1.264 1.225 -11.683 1.00 0.00 H new ATOM 0 HB3 TRP A 14 2.800 1.458 -10.871 1.00 0.00 H new ATOM 0 HD1 TRP A 14 0.952 -1.078 -13.109 1.00 0.00 H new ATOM 0 HE1 TRP A 14 2.659 -2.728 -14.135 1.00 0.00 H new ATOM 0 HE3 TRP A 14 5.085 0.393 -10.488 1.00 0.00 H new ATOM 0 HZ2 TRP A 14 5.399 -3.288 -13.836 1.00 0.00 H new ATOM 0 HZ3 TRP A 14 7.223 -0.750 -10.914 1.00 0.00 H new ATOM 0 HH2 TRP A 14 7.377 -2.566 -12.570 1.00 0.00 H new ATOM 166 N LEU A 15 1.656 1.377 -7.685 1.00 0.00 N ATOM 167 CA LEU A 15 1.416 2.445 -6.720 1.00 0.00 C ATOM 168 C LEU A 15 2.718 2.878 -6.054 1.00 0.00 C ATOM 169 O LEU A 15 3.628 2.071 -5.861 1.00 0.00 O ATOM 170 CB LEU A 15 0.416 1.984 -5.658 1.00 0.00 C ATOM 171 CG LEU A 15 -0.889 1.383 -6.182 1.00 0.00 C ATOM 172 CD1 LEU A 15 -1.696 0.784 -5.041 1.00 0.00 C ATOM 173 CD2 LEU A 15 -1.703 2.436 -6.919 1.00 0.00 C ATOM 0 H LEU A 15 2.288 0.646 -7.357 1.00 0.00 H new ATOM 0 HA LEU A 15 1.001 3.299 -7.255 1.00 0.00 H new ATOM 0 HB2 LEU A 15 0.905 1.244 -5.024 1.00 0.00 H new ATOM 0 HB3 LEU A 15 0.172 2.836 -5.023 1.00 0.00 H new ATOM 0 HG LEU A 15 -0.644 0.586 -6.884 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -2.621 0.361 -5.433 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -1.115 -0.001 -4.557 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -1.932 1.562 -4.314 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -2.628 1.990 -7.285 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -1.939 3.255 -6.240 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -1.126 2.818 -7.761 1.00 0.00 H new ATOM 185 N HIS A 16 2.800 4.158 -5.702 1.00 0.00 N ATOM 186 CA HIS A 16 3.989 4.698 -5.055 1.00 0.00 C ATOM 187 C HIS A 16 3.926 4.495 -3.544 1.00 0.00 C ATOM 188 O HIS A 16 3.116 5.118 -2.857 1.00 0.00 O ATOM 189 CB HIS A 16 4.138 6.186 -5.374 1.00 0.00 C ATOM 190 CG HIS A 16 4.520 6.458 -6.797 1.00 0.00 C ATOM 191 ND1 HIS A 16 5.828 6.497 -7.231 1.00 0.00 N ATOM 192 CD2 HIS A 16 3.756 6.703 -7.887 1.00 0.00 C ATOM 193 CE1 HIS A 16 5.853 6.756 -8.526 1.00 0.00 C ATOM 194 NE2 HIS A 16 4.608 6.885 -8.949 1.00 0.00 N ATOM 0 H HIS A 16 2.057 4.840 -5.854 1.00 0.00 H new ATOM 0 HA HIS A 16 4.856 4.162 -5.440 1.00 0.00 H new ATOM 0 HB2 HIS A 16 3.198 6.692 -5.156 1.00 0.00 H new ATOM 0 HB3 HIS A 16 4.892 6.617 -4.715 1.00 0.00 H new ATOM 0 HD2 HIS A 16 2.677 6.747 -7.916 1.00 0.00 H new ATOM 0 HE1 HIS A 16 6.740 6.847 -9.135 1.00 0.00 H new ATOM 0 HE2 HIS A 16 4.325 7.087 -9.908 1.00 0.00 H new ATOM 203 N PHE A 17 4.784 3.618 -3.033 1.00 0.00 N ATOM 204 CA PHE A 17 4.824 3.331 -1.604 1.00 0.00 C ATOM 205 C PHE A 17 5.871 4.192 -0.905 1.00 0.00 C ATOM 206 O PHE A 17 7.060 4.119 -1.218 1.00 0.00 O ATOM 207 CB PHE A 17 5.126 1.849 -1.368 1.00 0.00 C ATOM 208 CG PHE A 17 5.686 1.561 -0.005 1.00 0.00 C ATOM 209 CD1 PHE A 17 4.866 1.569 1.112 1.00 0.00 C ATOM 210 CD2 PHE A 17 7.034 1.283 0.160 1.00 0.00 C ATOM 211 CE1 PHE A 17 5.379 1.305 2.368 1.00 0.00 C ATOM 212 CE2 PHE A 17 7.552 1.017 1.413 1.00 0.00 C ATOM 213 CZ PHE A 17 6.724 1.029 2.519 1.00 0.00 C ATOM 0 H PHE A 17 5.461 3.094 -3.587 1.00 0.00 H new ATOM 0 HA PHE A 17 3.846 3.567 -1.184 1.00 0.00 H new ATOM 0 HB2 PHE A 17 4.210 1.274 -1.505 1.00 0.00 H new ATOM 0 HB3 PHE A 17 5.834 1.506 -2.123 1.00 0.00 H new ATOM 0 HD1 PHE A 17 3.814 1.784 1.000 1.00 0.00 H new ATOM 0 HD2 PHE A 17 7.687 1.274 -0.700 1.00 0.00 H new ATOM 0 HE1 PHE A 17 4.729 1.315 3.230 1.00 0.00 H new ATOM 0 HE2 PHE A 17 8.604 0.800 1.528 1.00 0.00 H new ATOM 0 HZ PHE A 17 7.127 0.823 3.499 1.00 0.00 H new ATOM 223 N ARG A 18 5.421 5.009 0.042 1.00 0.00 N ATOM 224 CA ARG A 18 6.318 5.886 0.784 1.00 0.00 C ATOM 225 C ARG A 18 6.054 5.790 2.284 1.00 0.00 C ATOM 226 O ARG A 18 5.124 6.396 2.816 1.00 0.00 O ATOM 227 CB ARG A 18 6.151 7.334 0.318 1.00 0.00 C ATOM 228 CG ARG A 18 7.146 8.295 0.948 1.00 0.00 C ATOM 229 CD ARG A 18 6.732 9.743 0.737 1.00 0.00 C ATOM 230 NE ARG A 18 5.885 10.234 1.821 1.00 0.00 N ATOM 231 CZ ARG A 18 5.705 11.523 2.087 1.00 0.00 C ATOM 232 NH1 ARG A 18 6.309 12.445 1.350 1.00 0.00 N ATOM 233 NH2 ARG A 18 4.919 11.891 3.090 1.00 0.00 N ATOM 0 H ARG A 18 4.440 5.082 0.313 1.00 0.00 H new ATOM 0 HA ARG A 18 7.342 5.565 0.591 1.00 0.00 H new ATOM 0 HB2 ARG A 18 6.258 7.373 -0.766 1.00 0.00 H new ATOM 0 HB3 ARG A 18 5.140 7.667 0.551 1.00 0.00 H new ATOM 0 HG2 ARG A 18 7.225 8.090 2.016 1.00 0.00 H new ATOM 0 HG3 ARG A 18 8.134 8.131 0.518 1.00 0.00 H new ATOM 0 HD2 ARG A 18 7.622 10.367 0.662 1.00 0.00 H new ATOM 0 HD3 ARG A 18 6.198 9.833 -0.209 1.00 0.00 H new ATOM 0 HE ARG A 18 5.405 9.550 2.406 1.00 0.00 H new ATOM 0 HH11 ARG A 18 6.913 12.165 0.577 1.00 0.00 H new ATOM 0 HH12 ARG A 18 6.170 13.434 1.556 1.00 0.00 H new ATOM 0 HH21 ARG A 18 4.452 11.184 3.658 1.00 0.00 H new ATOM 0 HH22 ARG A 18 4.781 12.881 3.293 1.00 0.00 H new ATOM 247 N PRO A 19 6.892 5.009 2.983 1.00 0.00 N ATOM 248 CA PRO A 19 6.770 4.815 4.431 1.00 0.00 C ATOM 249 C PRO A 19 7.128 6.071 5.217 1.00 0.00 C ATOM 250 O PRO A 19 7.930 6.891 4.766 1.00 0.00 O ATOM 251 CB PRO A 19 7.772 3.696 4.725 1.00 0.00 C ATOM 252 CG PRO A 19 8.777 3.791 3.629 1.00 0.00 C ATOM 253 CD PRO A 19 8.022 4.257 2.414 1.00 0.00 C ATOM 0 HA PRO A 19 5.748 4.578 4.725 1.00 0.00 H new ATOM 0 HB2 PRO A 19 8.238 3.828 5.702 1.00 0.00 H new ATOM 0 HB3 PRO A 19 7.285 2.721 4.733 1.00 0.00 H new ATOM 0 HG2 PRO A 19 9.571 4.491 3.887 1.00 0.00 H new ATOM 0 HG3 PRO A 19 9.250 2.826 3.448 1.00 0.00 H new ATOM 0 HD2 PRO A 19 8.641 4.885 1.773 1.00 0.00 H new ATOM 0 HD3 PRO A 19 7.682 3.419 1.806 1.00 0.00 H new ATOM 261 N LEU A 20 6.531 6.218 6.394 1.00 0.00 N ATOM 262 CA LEU A 20 6.788 7.375 7.244 1.00 0.00 C ATOM 263 C LEU A 20 8.006 7.139 8.132 1.00 0.00 C ATOM 264 O LEU A 20 9.018 7.830 8.013 1.00 0.00 O ATOM 265 CB LEU A 20 5.564 7.680 8.109 1.00 0.00 C ATOM 266 CG LEU A 20 4.375 8.317 7.388 1.00 0.00 C ATOM 267 CD1 LEU A 20 4.706 9.741 6.969 1.00 0.00 C ATOM 268 CD2 LEU A 20 3.974 7.483 6.181 1.00 0.00 C ATOM 0 H LEU A 20 5.865 5.550 6.782 1.00 0.00 H new ATOM 0 HA LEU A 20 6.991 8.230 6.599 1.00 0.00 H new ATOM 0 HB2 LEU A 20 5.229 6.751 8.570 1.00 0.00 H new ATOM 0 HB3 LEU A 20 5.871 8.344 8.917 1.00 0.00 H new ATOM 0 HG LEU A 20 3.531 8.350 8.077 1.00 0.00 H new ATOM 0 HD11 LEU A 20 3.849 10.178 6.458 1.00 0.00 H new ATOM 0 HD12 LEU A 20 4.943 10.334 7.852 1.00 0.00 H new ATOM 0 HD13 LEU A 20 5.564 9.732 6.297 1.00 0.00 H new ATOM 0 HD21 LEU A 20 3.127 7.951 5.680 1.00 0.00 H new ATOM 0 HD22 LEU A 20 4.813 7.418 5.489 1.00 0.00 H new ATOM 0 HD23 LEU A 20 3.694 6.481 6.508 1.00 0.00 H new ATOM 280 N VAL A 21 7.902 6.157 9.022 1.00 0.00 N ATOM 281 CA VAL A 21 8.995 5.827 9.928 1.00 0.00 C ATOM 282 C VAL A 21 9.325 4.339 9.872 1.00 0.00 C ATOM 283 O VAL A 21 10.076 3.826 10.703 1.00 0.00 O ATOM 284 CB VAL A 21 8.657 6.213 11.380 1.00 0.00 C ATOM 285 CG1 VAL A 21 7.973 5.057 12.094 1.00 0.00 C ATOM 286 CG2 VAL A 21 9.913 6.641 12.123 1.00 0.00 C ATOM 0 H VAL A 21 7.071 5.576 9.135 1.00 0.00 H new ATOM 0 HA VAL A 21 9.862 6.401 9.600 1.00 0.00 H new ATOM 0 HB VAL A 21 7.967 7.057 11.363 1.00 0.00 H new ATOM 0 HG11 VAL A 21 7.742 5.348 13.119 1.00 0.00 H new ATOM 0 HG12 VAL A 21 7.051 4.802 11.572 1.00 0.00 H new ATOM 0 HG13 VAL A 21 8.636 4.192 12.103 1.00 0.00 H new ATOM 0 HG21 VAL A 21 9.656 6.910 13.147 1.00 0.00 H new ATOM 0 HG22 VAL A 21 10.628 5.818 12.133 1.00 0.00 H new ATOM 0 HG23 VAL A 21 10.357 7.501 11.622 1.00 0.00 H new ATOM 296 N THR A 22 8.760 3.650 8.886 1.00 0.00 N ATOM 297 CA THR A 22 8.993 2.221 8.721 1.00 0.00 C ATOM 298 C THR A 22 10.400 1.838 9.166 1.00 0.00 C ATOM 299 O THR A 22 10.610 0.771 9.743 1.00 0.00 O ATOM 300 CB THR A 22 8.793 1.784 7.258 1.00 0.00 C ATOM 301 OG1 THR A 22 8.652 0.361 7.186 1.00 0.00 O ATOM 302 CG2 THR A 22 9.966 2.226 6.396 1.00 0.00 C ATOM 0 H THR A 22 8.137 4.059 8.189 1.00 0.00 H new ATOM 0 HA THR A 22 8.264 1.708 9.348 1.00 0.00 H new ATOM 0 HB THR A 22 7.886 2.258 6.882 1.00 0.00 H new ATOM 0 HG1 THR A 22 8.524 0.092 6.252 1.00 0.00 H new ATOM 0 HG21 THR A 22 9.802 1.906 5.367 1.00 0.00 H new ATOM 0 HG22 THR A 22 10.053 3.312 6.429 1.00 0.00 H new ATOM 0 HG23 THR A 22 10.885 1.777 6.774 1.00 0.00 H new ATOM 310 N ASP A 23 11.360 2.715 8.896 1.00 0.00 N ATOM 311 CA ASP A 23 12.748 2.470 9.271 1.00 0.00 C ATOM 312 C ASP A 23 12.895 2.391 10.787 1.00 0.00 C ATOM 313 O ASP A 23 13.106 3.404 11.455 1.00 0.00 O ATOM 314 CB ASP A 23 13.651 3.572 8.714 1.00 0.00 C ATOM 315 CG ASP A 23 13.283 3.961 7.296 1.00 0.00 C ATOM 316 OD1 ASP A 23 12.165 4.480 7.094 1.00 0.00 O ATOM 317 OD2 ASP A 23 14.113 3.748 6.388 1.00 0.00 O ATOM 0 H ASP A 23 11.203 3.603 8.419 1.00 0.00 H new ATOM 0 HA ASP A 23 13.051 1.514 8.845 1.00 0.00 H new ATOM 0 HB2 ASP A 23 13.586 4.450 9.357 1.00 0.00 H new ATOM 0 HB3 ASP A 23 14.687 3.235 8.738 1.00 0.00 H new ATOM 322 N LYS A 24 12.782 1.182 11.325 1.00 0.00 N ATOM 323 CA LYS A 24 12.903 0.969 12.763 1.00 0.00 C ATOM 324 C LYS A 24 14.286 0.434 13.119 1.00 0.00 C ATOM 325 O LYS A 24 14.957 -0.181 12.291 1.00 0.00 O ATOM 326 CB LYS A 24 11.827 -0.005 13.247 1.00 0.00 C ATOM 327 CG LYS A 24 11.929 -0.338 14.726 1.00 0.00 C ATOM 328 CD LYS A 24 10.999 -1.477 15.106 1.00 0.00 C ATOM 329 CE LYS A 24 11.550 -2.821 14.656 1.00 0.00 C ATOM 330 NZ LYS A 24 10.683 -3.951 15.090 1.00 0.00 N ATOM 0 H LYS A 24 12.607 0.333 10.787 1.00 0.00 H new ATOM 0 HA LYS A 24 12.765 1.929 13.260 1.00 0.00 H new ATOM 0 HB2 LYS A 24 10.845 0.423 13.046 1.00 0.00 H new ATOM 0 HB3 LYS A 24 11.897 -0.927 12.670 1.00 0.00 H new ATOM 0 HG2 LYS A 24 12.956 -0.609 14.969 1.00 0.00 H new ATOM 0 HG3 LYS A 24 11.685 0.545 15.316 1.00 0.00 H new ATOM 0 HD2 LYS A 24 10.855 -1.485 16.186 1.00 0.00 H new ATOM 0 HD3 LYS A 24 10.020 -1.315 14.655 1.00 0.00 H new ATOM 0 HE2 LYS A 24 11.642 -2.830 13.570 1.00 0.00 H new ATOM 0 HE3 LYS A 24 12.553 -2.956 15.062 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 11.094 -4.849 14.763 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 10.616 -3.958 16.128 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 9.733 -3.836 14.682 1.00 0.00 H new ATOM 344 N GLY A 25 14.707 0.672 14.358 1.00 0.00 N ATOM 345 CA GLY A 25 16.007 0.207 14.802 1.00 0.00 C ATOM 346 C GLY A 25 17.043 0.239 13.696 1.00 0.00 C ATOM 347 O GLY A 25 17.870 -0.667 13.582 1.00 0.00 O ATOM 0 H GLY A 25 14.170 1.179 15.062 1.00 0.00 H new ATOM 0 HA2 GLY A 25 16.347 0.826 15.632 1.00 0.00 H new ATOM 0 HA3 GLY A 25 15.915 -0.811 15.181 1.00 0.00 H new ATOM 351 N LYS A 26 16.999 1.284 12.877 1.00 0.00 N ATOM 352 CA LYS A 26 17.941 1.431 11.773 1.00 0.00 C ATOM 353 C LYS A 26 19.055 2.408 12.136 1.00 0.00 C ATOM 354 O LYS A 26 20.174 2.302 11.632 1.00 0.00 O ATOM 355 CB LYS A 26 17.214 1.915 10.517 1.00 0.00 C ATOM 356 CG LYS A 26 17.843 1.427 9.223 1.00 0.00 C ATOM 357 CD LYS A 26 17.268 0.087 8.795 1.00 0.00 C ATOM 358 CE LYS A 26 18.021 -1.072 9.429 1.00 0.00 C ATOM 359 NZ LYS A 26 17.438 -1.459 10.744 1.00 0.00 N ATOM 0 H LYS A 26 16.321 2.042 12.957 1.00 0.00 H new ATOM 0 HA LYS A 26 18.386 0.456 11.575 1.00 0.00 H new ATOM 0 HB2 LYS A 26 16.177 1.580 10.556 1.00 0.00 H new ATOM 0 HB3 LYS A 26 17.197 3.005 10.514 1.00 0.00 H new ATOM 0 HG2 LYS A 26 17.677 2.163 8.436 1.00 0.00 H new ATOM 0 HG3 LYS A 26 18.921 1.337 9.353 1.00 0.00 H new ATOM 0 HD2 LYS A 26 16.216 0.035 9.075 1.00 0.00 H new ATOM 0 HD3 LYS A 26 17.313 0.001 7.709 1.00 0.00 H new ATOM 0 HE2 LYS A 26 18.001 -1.929 8.756 1.00 0.00 H new ATOM 0 HE3 LYS A 26 19.067 -0.796 9.563 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 18.189 -1.482 11.463 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 16.715 -0.765 11.021 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 17.003 -2.401 10.667 1.00 0.00 H new ATOM 373 N ARG A 27 18.743 3.356 13.013 1.00 0.00 N ATOM 374 CA ARG A 27 19.719 4.351 13.442 1.00 0.00 C ATOM 375 C ARG A 27 20.358 5.040 12.240 1.00 0.00 C ATOM 376 O ARG A 27 21.581 5.062 12.101 1.00 0.00 O ATOM 377 CB ARG A 27 20.801 3.696 14.303 1.00 0.00 C ATOM 378 CG ARG A 27 21.441 4.645 15.303 1.00 0.00 C ATOM 379 CD ARG A 27 20.565 4.831 16.532 1.00 0.00 C ATOM 380 NE ARG A 27 20.725 3.739 17.489 1.00 0.00 N ATOM 381 CZ ARG A 27 19.847 3.467 18.447 1.00 0.00 C ATOM 382 NH1 ARG A 27 18.751 4.203 18.576 1.00 0.00 N ATOM 383 NH2 ARG A 27 20.062 2.456 19.280 1.00 0.00 N ATOM 0 H ARG A 27 17.822 3.456 13.441 1.00 0.00 H new ATOM 0 HA ARG A 27 19.198 5.103 14.035 1.00 0.00 H new ATOM 0 HB2 ARG A 27 20.365 2.854 14.841 1.00 0.00 H new ATOM 0 HB3 ARG A 27 21.576 3.291 13.652 1.00 0.00 H new ATOM 0 HG2 ARG A 27 22.414 4.257 15.604 1.00 0.00 H new ATOM 0 HG3 ARG A 27 21.616 5.611 14.829 1.00 0.00 H new ATOM 0 HD2 ARG A 27 20.814 5.776 17.015 1.00 0.00 H new ATOM 0 HD3 ARG A 27 19.521 4.895 16.226 1.00 0.00 H new ATOM 0 HE ARG A 27 21.557 3.153 17.417 1.00 0.00 H new ATOM 0 HH11 ARG A 27 18.581 4.981 17.938 1.00 0.00 H new ATOM 0 HH12 ARG A 27 18.078 3.991 19.313 1.00 0.00 H new ATOM 0 HH21 ARG A 27 20.903 1.887 19.185 1.00 0.00 H new ATOM 0 HH22 ARG A 27 19.386 2.249 20.015 1.00 0.00 H new ATOM 397 N VAL A 28 19.521 5.603 11.374 1.00 0.00 N ATOM 398 CA VAL A 28 20.004 6.294 10.184 1.00 0.00 C ATOM 399 C VAL A 28 19.651 7.776 10.228 1.00 0.00 C ATOM 400 O VAL A 28 18.499 8.144 10.458 1.00 0.00 O ATOM 401 CB VAL A 28 19.419 5.676 8.900 1.00 0.00 C ATOM 402 CG1 VAL A 28 19.838 6.482 7.680 1.00 0.00 C ATOM 403 CG2 VAL A 28 19.850 4.223 8.764 1.00 0.00 C ATOM 0 H VAL A 28 18.506 5.594 11.474 1.00 0.00 H new ATOM 0 HA VAL A 28 21.088 6.182 10.171 1.00 0.00 H new ATOM 0 HB VAL A 28 18.331 5.704 8.967 1.00 0.00 H new ATOM 0 HG11 VAL A 28 19.415 6.030 6.783 1.00 0.00 H new ATOM 0 HG12 VAL A 28 19.474 7.505 7.777 1.00 0.00 H new ATOM 0 HG13 VAL A 28 20.925 6.489 7.605 1.00 0.00 H new ATOM 0 HG21 VAL A 28 19.428 3.802 7.852 1.00 0.00 H new ATOM 0 HG22 VAL A 28 20.938 4.169 8.719 1.00 0.00 H new ATOM 0 HG23 VAL A 28 19.494 3.656 9.624 1.00 0.00 H new ATOM 413 N GLY A 29 20.650 8.624 10.006 1.00 0.00 N ATOM 414 CA GLY A 29 20.425 10.058 10.024 1.00 0.00 C ATOM 415 C GLY A 29 19.330 10.485 9.067 1.00 0.00 C ATOM 416 O GLY A 29 18.148 10.269 9.330 1.00 0.00 O ATOM 0 H GLY A 29 21.612 8.344 9.814 1.00 0.00 H new ATOM 0 HA2 GLY A 29 20.161 10.369 11.035 1.00 0.00 H new ATOM 0 HA3 GLY A 29 21.351 10.571 9.764 1.00 0.00 H new ATOM 420 N GLY A 30 19.724 11.094 7.953 1.00 0.00 N ATOM 421 CA GLY A 30 18.755 11.545 6.972 1.00 0.00 C ATOM 422 C GLY A 30 18.097 10.394 6.236 1.00 0.00 C ATOM 423 O GLY A 30 18.318 10.206 5.040 1.00 0.00 O ATOM 0 H GLY A 30 20.697 11.283 7.713 1.00 0.00 H new ATOM 0 HA2 GLY A 30 17.989 12.140 7.469 1.00 0.00 H new ATOM 0 HA3 GLY A 30 19.248 12.198 6.252 1.00 0.00 H new ATOM 427 N SER A 31 17.286 9.622 6.953 1.00 0.00 N ATOM 428 CA SER A 31 16.598 8.480 6.362 1.00 0.00 C ATOM 429 C SER A 31 15.631 8.933 5.272 1.00 0.00 C ATOM 430 O SER A 31 15.304 8.171 4.362 1.00 0.00 O ATOM 431 CB SER A 31 15.841 7.701 7.439 1.00 0.00 C ATOM 432 OG SER A 31 16.549 7.710 8.667 1.00 0.00 O ATOM 0 H SER A 31 17.089 9.767 7.943 1.00 0.00 H new ATOM 0 HA SER A 31 17.347 7.829 5.911 1.00 0.00 H new ATOM 0 HB2 SER A 31 14.853 8.138 7.582 1.00 0.00 H new ATOM 0 HB3 SER A 31 15.690 6.673 7.110 1.00 0.00 H new ATOM 0 HG SER A 31 16.044 7.207 9.339 1.00 0.00 H new ATOM 438 N ILE A 32 15.178 10.178 5.373 1.00 0.00 N ATOM 439 CA ILE A 32 14.250 10.734 4.396 1.00 0.00 C ATOM 440 C ILE A 32 14.527 10.186 3.000 1.00 0.00 C ATOM 441 O ILE A 32 15.641 10.300 2.487 1.00 0.00 O ATOM 442 CB ILE A 32 14.327 12.271 4.356 1.00 0.00 C ATOM 443 CG1 ILE A 32 13.955 12.858 5.719 1.00 0.00 C ATOM 444 CG2 ILE A 32 13.414 12.820 3.270 1.00 0.00 C ATOM 445 CD1 ILE A 32 14.444 14.275 5.922 1.00 0.00 C ATOM 0 H ILE A 32 15.438 10.821 6.121 1.00 0.00 H new ATOM 0 HA ILE A 32 13.249 10.437 4.709 1.00 0.00 H new ATOM 0 HB ILE A 32 15.351 12.562 4.123 1.00 0.00 H new ATOM 0 HG12 ILE A 32 12.871 12.837 5.831 1.00 0.00 H new ATOM 0 HG13 ILE A 32 14.368 12.224 6.503 1.00 0.00 H new ATOM 0 HG21 ILE A 32 13.480 13.908 3.255 1.00 0.00 H new ATOM 0 HG22 ILE A 32 13.721 12.424 2.302 1.00 0.00 H new ATOM 0 HG23 ILE A 32 12.386 12.522 3.474 1.00 0.00 H new ATOM 0 HD11 ILE A 32 14.144 14.626 6.909 1.00 0.00 H new ATOM 0 HD12 ILE A 32 15.531 14.300 5.843 1.00 0.00 H new ATOM 0 HD13 ILE A 32 14.010 14.922 5.160 1.00 0.00 H new ATOM 457 N ARG A 33 13.507 9.592 2.390 1.00 0.00 N ATOM 458 CA ARG A 33 13.641 9.026 1.053 1.00 0.00 C ATOM 459 C ARG A 33 12.417 9.351 0.200 1.00 0.00 C ATOM 460 O ARG A 33 11.285 9.386 0.683 1.00 0.00 O ATOM 461 CB ARG A 33 13.831 7.511 1.133 1.00 0.00 C ATOM 462 CG ARG A 33 13.147 6.750 0.009 1.00 0.00 C ATOM 463 CD ARG A 33 13.891 5.469 -0.330 1.00 0.00 C ATOM 464 NE ARG A 33 14.005 4.580 0.823 1.00 0.00 N ATOM 465 CZ ARG A 33 14.631 3.408 0.789 1.00 0.00 C ATOM 466 NH1 ARG A 33 15.197 2.988 -0.334 1.00 0.00 N ATOM 467 NH2 ARG A 33 14.692 2.656 1.880 1.00 0.00 N ATOM 0 H ARG A 33 12.579 9.490 2.800 1.00 0.00 H new ATOM 0 HA ARG A 33 14.519 9.471 0.584 1.00 0.00 H new ATOM 0 HB2 ARG A 33 14.897 7.286 1.116 1.00 0.00 H new ATOM 0 HB3 ARG A 33 13.445 7.155 2.088 1.00 0.00 H new ATOM 0 HG2 ARG A 33 12.124 6.512 0.300 1.00 0.00 H new ATOM 0 HG3 ARG A 33 13.088 7.383 -0.877 1.00 0.00 H new ATOM 0 HD2 ARG A 33 13.372 4.951 -1.137 1.00 0.00 H new ATOM 0 HD3 ARG A 33 14.887 5.715 -0.698 1.00 0.00 H new ATOM 0 HE ARG A 33 13.581 4.875 1.703 1.00 0.00 H new ATOM 0 HH11 ARG A 33 15.153 3.565 -1.174 1.00 0.00 H new ATOM 0 HH12 ARG A 33 15.677 2.088 -0.358 1.00 0.00 H new ATOM 0 HH21 ARG A 33 14.258 2.977 2.746 1.00 0.00 H new ATOM 0 HH22 ARG A 33 15.173 1.757 1.853 1.00 0.00 H new ATOM 481 N PRO A 34 12.649 9.597 -1.098 1.00 0.00 N ATOM 482 CA PRO A 34 11.579 9.924 -2.045 1.00 0.00 C ATOM 483 C PRO A 34 10.674 8.730 -2.331 1.00 0.00 C ATOM 484 O PRO A 34 11.079 7.579 -2.170 1.00 0.00 O ATOM 485 CB PRO A 34 12.337 10.335 -3.309 1.00 0.00 C ATOM 486 CG PRO A 34 13.649 9.636 -3.208 1.00 0.00 C ATOM 487 CD PRO A 34 13.973 9.574 -1.741 1.00 0.00 C ATOM 0 HA PRO A 34 10.916 10.698 -1.659 1.00 0.00 H new ATOM 0 HB2 PRO A 34 11.798 10.037 -4.208 1.00 0.00 H new ATOM 0 HB3 PRO A 34 12.467 11.416 -3.359 1.00 0.00 H new ATOM 0 HG2 PRO A 34 13.592 8.636 -3.638 1.00 0.00 H new ATOM 0 HG3 PRO A 34 14.422 10.175 -3.756 1.00 0.00 H new ATOM 0 HD2 PRO A 34 14.526 8.669 -1.490 1.00 0.00 H new ATOM 0 HD3 PRO A 34 14.586 10.419 -1.429 1.00 0.00 H new ATOM 495 N TRP A 35 9.448 9.013 -2.756 1.00 0.00 N ATOM 496 CA TRP A 35 8.485 7.961 -3.065 1.00 0.00 C ATOM 497 C TRP A 35 9.163 6.795 -3.775 1.00 0.00 C ATOM 498 O TRP A 35 10.210 6.959 -4.402 1.00 0.00 O ATOM 499 CB TRP A 35 7.354 8.516 -3.934 1.00 0.00 C ATOM 500 CG TRP A 35 6.586 9.621 -3.274 1.00 0.00 C ATOM 501 CD1 TRP A 35 6.961 10.929 -3.167 1.00 0.00 C ATOM 502 CD2 TRP A 35 5.313 9.512 -2.628 1.00 0.00 C ATOM 503 NE1 TRP A 35 5.998 11.641 -2.494 1.00 0.00 N ATOM 504 CE2 TRP A 35 4.976 10.795 -2.153 1.00 0.00 C ATOM 505 CE3 TRP A 35 4.424 8.457 -2.406 1.00 0.00 C ATOM 506 CZ2 TRP A 35 3.789 11.047 -1.470 1.00 0.00 C ATOM 507 CZ3 TRP A 35 3.247 8.709 -1.728 1.00 0.00 C ATOM 508 CH2 TRP A 35 2.937 9.996 -1.267 1.00 0.00 C ATOM 0 H TRP A 35 9.097 9.961 -2.895 1.00 0.00 H new ATOM 0 HA TRP A 35 8.067 7.597 -2.126 1.00 0.00 H new ATOM 0 HB2 TRP A 35 7.772 8.883 -4.871 1.00 0.00 H new ATOM 0 HB3 TRP A 35 6.669 7.707 -4.186 1.00 0.00 H new ATOM 0 HD1 TRP A 35 7.880 11.343 -3.555 1.00 0.00 H new ATOM 0 HE1 TRP A 35 6.038 12.638 -2.282 1.00 0.00 H new ATOM 0 HE3 TRP A 35 4.653 7.462 -2.758 1.00 0.00 H new ATOM 0 HZ2 TRP A 35 3.549 12.038 -1.113 1.00 0.00 H new ATOM 0 HZ3 TRP A 35 2.554 7.900 -1.550 1.00 0.00 H new ATOM 0 HH2 TRP A 35 2.008 10.161 -0.742 1.00 0.00 H new ATOM 519 N LYS A 36 8.559 5.615 -3.674 1.00 0.00 N ATOM 520 CA LYS A 36 9.104 4.420 -4.308 1.00 0.00 C ATOM 521 C LYS A 36 8.060 3.754 -5.200 1.00 0.00 C ATOM 522 O LYS A 36 7.036 3.271 -4.717 1.00 0.00 O ATOM 523 CB LYS A 36 9.589 3.430 -3.246 1.00 0.00 C ATOM 524 CG LYS A 36 10.523 4.049 -2.220 1.00 0.00 C ATOM 525 CD LYS A 36 10.398 3.365 -0.869 1.00 0.00 C ATOM 526 CE LYS A 36 10.710 4.323 0.271 1.00 0.00 C ATOM 527 NZ LYS A 36 10.012 5.627 0.107 1.00 0.00 N ATOM 0 H LYS A 36 7.692 5.461 -3.159 1.00 0.00 H new ATOM 0 HA LYS A 36 9.949 4.721 -4.928 1.00 0.00 H new ATOM 0 HB2 LYS A 36 8.725 3.009 -2.732 1.00 0.00 H new ATOM 0 HB3 LYS A 36 10.100 2.603 -3.739 1.00 0.00 H new ATOM 0 HG2 LYS A 36 11.552 3.976 -2.572 1.00 0.00 H new ATOM 0 HG3 LYS A 36 10.297 5.110 -2.114 1.00 0.00 H new ATOM 0 HD2 LYS A 36 9.388 2.973 -0.750 1.00 0.00 H new ATOM 0 HD3 LYS A 36 11.077 2.514 -0.827 1.00 0.00 H new ATOM 0 HE2 LYS A 36 10.415 3.870 1.217 1.00 0.00 H new ATOM 0 HE3 LYS A 36 11.786 4.491 0.320 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 9.919 6.090 1.034 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 10.562 6.237 -0.531 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 9.067 5.467 -0.296 1.00 0.00 H new ATOM 541 N GLN A 37 8.329 3.731 -6.501 1.00 0.00 N ATOM 542 CA GLN A 37 7.412 3.123 -7.459 1.00 0.00 C ATOM 543 C GLN A 37 7.651 1.621 -7.562 1.00 0.00 C ATOM 544 O GLN A 37 8.604 1.176 -8.202 1.00 0.00 O ATOM 545 CB GLN A 37 7.574 3.773 -8.834 1.00 0.00 C ATOM 546 CG GLN A 37 6.396 3.530 -9.764 1.00 0.00 C ATOM 547 CD GLN A 37 6.487 4.336 -11.045 1.00 0.00 C ATOM 548 OE1 GLN A 37 7.528 4.918 -11.353 1.00 0.00 O ATOM 549 NE2 GLN A 37 5.395 4.375 -11.799 1.00 0.00 N ATOM 0 H GLN A 37 9.173 4.126 -6.916 1.00 0.00 H new ATOM 0 HA GLN A 37 6.394 3.287 -7.105 1.00 0.00 H new ATOM 0 HB2 GLN A 37 7.709 4.847 -8.705 1.00 0.00 H new ATOM 0 HB3 GLN A 37 8.481 3.391 -9.303 1.00 0.00 H new ATOM 0 HG2 GLN A 37 6.345 2.469 -10.010 1.00 0.00 H new ATOM 0 HG3 GLN A 37 5.471 3.782 -9.246 1.00 0.00 H new ATOM 0 HE21 GLN A 37 4.554 3.878 -11.505 1.00 0.00 H new ATOM 0 HE22 GLN A 37 5.397 4.902 -12.672 1.00 0.00 H new ATOM 558 N MET A 38 6.780 0.843 -6.928 1.00 0.00 N ATOM 559 CA MET A 38 6.896 -0.611 -6.950 1.00 0.00 C ATOM 560 C MET A 38 5.519 -1.266 -6.965 1.00 0.00 C ATOM 561 O MET A 38 4.690 -1.010 -6.091 1.00 0.00 O ATOM 562 CB MET A 38 7.693 -1.098 -5.738 1.00 0.00 C ATOM 563 CG MET A 38 7.183 -0.551 -4.415 1.00 0.00 C ATOM 564 SD MET A 38 8.399 -0.689 -3.091 1.00 0.00 S ATOM 565 CE MET A 38 8.928 -2.388 -3.293 1.00 0.00 C ATOM 0 H MET A 38 5.986 1.195 -6.393 1.00 0.00 H new ATOM 0 HA MET A 38 7.423 -0.895 -7.861 1.00 0.00 H new ATOM 0 HB2 MET A 38 7.662 -2.187 -5.707 1.00 0.00 H new ATOM 0 HB3 MET A 38 8.737 -0.812 -5.862 1.00 0.00 H new ATOM 0 HG2 MET A 38 6.907 0.496 -4.541 1.00 0.00 H new ATOM 0 HG3 MET A 38 6.278 -1.087 -4.129 1.00 0.00 H new ATOM 0 HE1 MET A 38 9.176 -2.810 -2.319 1.00 0.00 H new ATOM 0 HE2 MET A 38 8.124 -2.968 -3.745 1.00 0.00 H new ATOM 0 HE3 MET A 38 9.806 -2.421 -3.938 1.00 0.00 H new ATOM 575 N TYR A 39 5.282 -2.112 -7.961 1.00 0.00 N ATOM 576 CA TYR A 39 4.004 -2.802 -8.091 1.00 0.00 C ATOM 577 C TYR A 39 3.518 -3.307 -6.736 1.00 0.00 C ATOM 578 O TYR A 39 4.142 -4.174 -6.123 1.00 0.00 O ATOM 579 CB TYR A 39 4.128 -3.971 -9.069 1.00 0.00 C ATOM 580 CG TYR A 39 2.819 -4.360 -9.717 1.00 0.00 C ATOM 581 CD1 TYR A 39 2.210 -3.532 -10.652 1.00 0.00 C ATOM 582 CD2 TYR A 39 2.191 -5.557 -9.395 1.00 0.00 C ATOM 583 CE1 TYR A 39 1.013 -3.884 -11.246 1.00 0.00 C ATOM 584 CE2 TYR A 39 0.995 -5.917 -9.985 1.00 0.00 C ATOM 585 CZ TYR A 39 0.410 -5.077 -10.909 1.00 0.00 C ATOM 586 OH TYR A 39 -0.782 -5.432 -11.499 1.00 0.00 O ATOM 0 H TYR A 39 5.958 -2.337 -8.691 1.00 0.00 H new ATOM 0 HA TYR A 39 3.274 -2.091 -8.477 1.00 0.00 H new ATOM 0 HB2 TYR A 39 4.845 -3.708 -9.847 1.00 0.00 H new ATOM 0 HB3 TYR A 39 4.533 -4.834 -8.541 1.00 0.00 H new ATOM 0 HD1 TYR A 39 2.680 -2.597 -10.919 1.00 0.00 H new ATOM 0 HD2 TYR A 39 2.646 -6.217 -8.671 1.00 0.00 H new ATOM 0 HE1 TYR A 39 0.553 -3.228 -11.970 1.00 0.00 H new ATOM 0 HE2 TYR A 39 0.521 -6.851 -9.724 1.00 0.00 H new ATOM 0 HH TYR A 39 -0.952 -6.385 -11.345 1.00 0.00 H new ATOM 596 N VAL A 40 2.399 -2.759 -6.274 1.00 0.00 N ATOM 597 CA VAL A 40 1.826 -3.155 -4.992 1.00 0.00 C ATOM 598 C VAL A 40 0.628 -4.077 -5.187 1.00 0.00 C ATOM 599 O VAL A 40 -0.375 -3.691 -5.788 1.00 0.00 O ATOM 600 CB VAL A 40 1.388 -1.928 -4.171 1.00 0.00 C ATOM 601 CG1 VAL A 40 0.731 -2.363 -2.870 1.00 0.00 C ATOM 602 CG2 VAL A 40 2.576 -1.017 -3.899 1.00 0.00 C ATOM 0 H VAL A 40 1.871 -2.040 -6.768 1.00 0.00 H new ATOM 0 HA VAL A 40 2.605 -3.688 -4.447 1.00 0.00 H new ATOM 0 HB VAL A 40 0.655 -1.368 -4.751 1.00 0.00 H new ATOM 0 HG11 VAL A 40 0.428 -1.483 -2.303 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -0.146 -2.972 -3.091 1.00 0.00 H new ATOM 0 HG13 VAL A 40 1.439 -2.947 -2.282 1.00 0.00 H new ATOM 0 HG21 VAL A 40 2.248 -0.155 -3.318 1.00 0.00 H new ATOM 0 HG22 VAL A 40 3.334 -1.565 -3.339 1.00 0.00 H new ATOM 0 HG23 VAL A 40 2.998 -0.677 -4.845 1.00 0.00 H new ATOM 612 N VAL A 41 0.738 -5.298 -4.674 1.00 0.00 N ATOM 613 CA VAL A 41 -0.337 -6.276 -4.790 1.00 0.00 C ATOM 614 C VAL A 41 -0.930 -6.605 -3.424 1.00 0.00 C ATOM 615 O VAL A 41 -0.205 -6.759 -2.441 1.00 0.00 O ATOM 616 CB VAL A 41 0.156 -7.577 -5.450 1.00 0.00 C ATOM 617 CG1 VAL A 41 -0.976 -8.588 -5.549 1.00 0.00 C ATOM 618 CG2 VAL A 41 0.746 -7.288 -6.822 1.00 0.00 C ATOM 0 H VAL A 41 1.561 -5.634 -4.174 1.00 0.00 H new ATOM 0 HA VAL A 41 -1.106 -5.828 -5.419 1.00 0.00 H new ATOM 0 HB VAL A 41 0.940 -8.006 -4.826 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -0.609 -9.501 -6.018 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -1.347 -8.817 -4.550 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -1.784 -8.171 -6.150 1.00 0.00 H new ATOM 0 HG21 VAL A 41 1.089 -8.219 -7.274 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -0.015 -6.835 -7.457 1.00 0.00 H new ATOM 0 HG23 VAL A 41 1.587 -6.603 -6.719 1.00 0.00 H new ATOM 628 N LEU A 42 -2.253 -6.711 -3.370 1.00 0.00 N ATOM 629 CA LEU A 42 -2.945 -7.022 -2.125 1.00 0.00 C ATOM 630 C LEU A 42 -3.438 -8.466 -2.122 1.00 0.00 C ATOM 631 O LEU A 42 -4.355 -8.820 -2.863 1.00 0.00 O ATOM 632 CB LEU A 42 -4.124 -6.068 -1.921 1.00 0.00 C ATOM 633 CG LEU A 42 -5.103 -6.440 -0.807 1.00 0.00 C ATOM 634 CD1 LEU A 42 -4.494 -6.153 0.557 1.00 0.00 C ATOM 635 CD2 LEU A 42 -6.414 -5.686 -0.976 1.00 0.00 C ATOM 0 H LEU A 42 -2.868 -6.586 -4.174 1.00 0.00 H new ATOM 0 HA LEU A 42 -2.238 -6.897 -1.305 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -3.729 -5.074 -1.713 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -4.678 -6.002 -2.857 1.00 0.00 H new ATOM 0 HG LEU A 42 -5.309 -7.508 -0.873 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -5.205 -6.424 1.337 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -3.582 -6.737 0.678 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -4.258 -5.092 0.634 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -7.099 -5.963 -0.175 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -6.224 -4.613 -0.937 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -6.859 -5.941 -1.938 1.00 0.00 H new ATOM 647 N ARG A 43 -2.825 -9.293 -1.282 1.00 0.00 N ATOM 648 CA ARG A 43 -3.202 -10.698 -1.182 1.00 0.00 C ATOM 649 C ARG A 43 -3.653 -11.040 0.235 1.00 0.00 C ATOM 650 O ARG A 43 -2.831 -11.250 1.126 1.00 0.00 O ATOM 651 CB ARG A 43 -2.029 -11.593 -1.585 1.00 0.00 C ATOM 652 CG ARG A 43 -1.744 -11.587 -3.078 1.00 0.00 C ATOM 653 CD ARG A 43 -0.665 -12.595 -3.443 1.00 0.00 C ATOM 654 NE ARG A 43 -1.209 -13.939 -3.619 1.00 0.00 N ATOM 655 CZ ARG A 43 -0.578 -14.907 -4.274 1.00 0.00 C ATOM 656 NH1 ARG A 43 0.613 -14.681 -4.812 1.00 0.00 N ATOM 657 NH2 ARG A 43 -1.138 -16.104 -4.393 1.00 0.00 N ATOM 0 H ARG A 43 -2.065 -9.015 -0.661 1.00 0.00 H new ATOM 0 HA ARG A 43 -4.035 -10.874 -1.863 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -1.135 -11.269 -1.052 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -2.237 -12.615 -1.267 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -2.658 -11.817 -3.625 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -1.431 -10.589 -3.386 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -0.171 -12.281 -4.362 1.00 0.00 H new ATOM 0 HD3 ARG A 43 0.095 -12.611 -2.662 1.00 0.00 H new ATOM 0 HE ARG A 43 -2.123 -14.146 -3.217 1.00 0.00 H new ATOM 0 HH11 ARG A 43 1.047 -13.762 -4.723 1.00 0.00 H new ATOM 0 HH12 ARG A 43 1.095 -15.426 -5.314 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -2.054 -16.282 -3.981 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -0.652 -16.846 -4.896 1.00 0.00 H new ATOM 671 N GLY A 44 -4.967 -11.093 0.436 1.00 0.00 N ATOM 672 CA GLY A 44 -5.505 -11.410 1.747 1.00 0.00 C ATOM 673 C GLY A 44 -5.440 -10.232 2.699 1.00 0.00 C ATOM 674 O GLY A 44 -6.249 -9.308 2.611 1.00 0.00 O ATOM 0 H GLY A 44 -5.668 -10.922 -0.285 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -6.541 -11.733 1.643 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -4.951 -12.247 2.171 1.00 0.00 H new ATOM 678 N HIS A 45 -4.476 -10.265 3.614 1.00 0.00 N ATOM 679 CA HIS A 45 -4.310 -9.193 4.588 1.00 0.00 C ATOM 680 C HIS A 45 -2.882 -8.655 4.566 1.00 0.00 C ATOM 681 O HIS A 45 -2.485 -7.884 5.440 1.00 0.00 O ATOM 682 CB HIS A 45 -4.657 -9.691 5.991 1.00 0.00 C ATOM 683 CG HIS A 45 -4.179 -11.083 6.268 1.00 0.00 C ATOM 684 ND1 HIS A 45 -5.000 -12.078 6.756 1.00 0.00 N ATOM 685 CD2 HIS A 45 -2.956 -11.645 6.121 1.00 0.00 C ATOM 686 CE1 HIS A 45 -4.302 -13.191 6.899 1.00 0.00 C ATOM 687 NE2 HIS A 45 -3.059 -12.955 6.519 1.00 0.00 N ATOM 0 H HIS A 45 -3.798 -11.022 3.701 1.00 0.00 H new ATOM 0 HA HIS A 45 -4.989 -8.384 4.319 1.00 0.00 H new ATOM 0 HB2 HIS A 45 -4.222 -9.013 6.726 1.00 0.00 H new ATOM 0 HB3 HIS A 45 -5.738 -9.654 6.124 1.00 0.00 H new ATOM 0 HD2 HIS A 45 -2.065 -11.154 5.758 1.00 0.00 H new ATOM 0 HE1 HIS A 45 -4.683 -14.133 7.264 1.00 0.00 H new ATOM 0 HE2 HIS A 45 -2.299 -13.635 6.521 1.00 0.00 H new ATOM 696 N SER A 46 -2.116 -9.067 3.561 1.00 0.00 N ATOM 697 CA SER A 46 -0.731 -8.630 3.428 1.00 0.00 C ATOM 698 C SER A 46 -0.512 -7.917 2.097 1.00 0.00 C ATOM 699 O SER A 46 -1.117 -8.270 1.083 1.00 0.00 O ATOM 700 CB SER A 46 0.217 -9.826 3.541 1.00 0.00 C ATOM 701 OG SER A 46 0.140 -10.417 4.826 1.00 0.00 O ATOM 0 H SER A 46 -2.431 -9.702 2.828 1.00 0.00 H new ATOM 0 HA SER A 46 -0.518 -7.929 4.235 1.00 0.00 H new ATOM 0 HB2 SER A 46 -0.034 -10.566 2.781 1.00 0.00 H new ATOM 0 HB3 SER A 46 1.240 -9.503 3.346 1.00 0.00 H new ATOM 0 HG SER A 46 0.754 -11.180 4.873 1.00 0.00 H new ATOM 707 N LEU A 47 0.357 -6.912 2.107 1.00 0.00 N ATOM 708 CA LEU A 47 0.657 -6.148 0.901 1.00 0.00 C ATOM 709 C LEU A 47 2.035 -6.510 0.357 1.00 0.00 C ATOM 710 O LEU A 47 3.058 -6.189 0.963 1.00 0.00 O ATOM 711 CB LEU A 47 0.589 -4.648 1.194 1.00 0.00 C ATOM 712 CG LEU A 47 -0.774 -3.986 0.992 1.00 0.00 C ATOM 713 CD1 LEU A 47 -0.806 -2.617 1.654 1.00 0.00 C ATOM 714 CD2 LEU A 47 -1.096 -3.870 -0.491 1.00 0.00 C ATOM 0 H LEU A 47 0.866 -6.607 2.937 1.00 0.00 H new ATOM 0 HA LEU A 47 -0.089 -6.398 0.146 1.00 0.00 H new ATOM 0 HB2 LEU A 47 0.900 -4.485 2.226 1.00 0.00 H new ATOM 0 HB3 LEU A 47 1.315 -4.141 0.558 1.00 0.00 H new ATOM 0 HG LEU A 47 -1.533 -4.612 1.461 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -1.784 -2.161 1.500 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -0.621 -2.725 2.723 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -0.036 -1.982 1.215 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -2.070 -3.397 -0.616 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -0.333 -3.266 -0.983 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -1.116 -4.864 -0.938 1.00 0.00 H new ATOM 726 N TYR A 48 2.055 -7.177 -0.792 1.00 0.00 N ATOM 727 CA TYR A 48 3.308 -7.582 -1.419 1.00 0.00 C ATOM 728 C TYR A 48 3.707 -6.605 -2.520 1.00 0.00 C ATOM 729 O TYR A 48 3.062 -6.535 -3.568 1.00 0.00 O ATOM 730 CB TYR A 48 3.181 -8.994 -1.995 1.00 0.00 C ATOM 731 CG TYR A 48 2.832 -10.040 -0.961 1.00 0.00 C ATOM 732 CD1 TYR A 48 3.676 -10.293 0.113 1.00 0.00 C ATOM 733 CD2 TYR A 48 1.657 -10.776 -1.058 1.00 0.00 C ATOM 734 CE1 TYR A 48 3.361 -11.249 1.060 1.00 0.00 C ATOM 735 CE2 TYR A 48 1.333 -11.733 -0.116 1.00 0.00 C ATOM 736 CZ TYR A 48 2.188 -11.966 0.941 1.00 0.00 C ATOM 737 OH TYR A 48 1.871 -12.918 1.882 1.00 0.00 O ATOM 0 H TYR A 48 1.218 -7.449 -1.308 1.00 0.00 H new ATOM 0 HA TYR A 48 4.086 -7.577 -0.655 1.00 0.00 H new ATOM 0 HB2 TYR A 48 2.416 -8.993 -2.771 1.00 0.00 H new ATOM 0 HB3 TYR A 48 4.121 -9.268 -2.474 1.00 0.00 H new ATOM 0 HD1 TYR A 48 4.594 -9.733 0.210 1.00 0.00 H new ATOM 0 HD2 TYR A 48 0.985 -10.597 -1.885 1.00 0.00 H new ATOM 0 HE1 TYR A 48 4.029 -11.434 1.888 1.00 0.00 H new ATOM 0 HE2 TYR A 48 0.416 -12.296 -0.207 1.00 0.00 H new ATOM 0 HH TYR A 48 1.012 -13.331 1.653 1.00 0.00 H new ATOM 747 N LEU A 49 4.774 -5.853 -2.277 1.00 0.00 N ATOM 748 CA LEU A 49 5.262 -4.880 -3.248 1.00 0.00 C ATOM 749 C LEU A 49 6.399 -5.463 -4.080 1.00 0.00 C ATOM 750 O LEU A 49 7.104 -6.371 -3.637 1.00 0.00 O ATOM 751 CB LEU A 49 5.736 -3.612 -2.534 1.00 0.00 C ATOM 752 CG LEU A 49 4.698 -2.906 -1.661 1.00 0.00 C ATOM 753 CD1 LEU A 49 4.750 -3.436 -0.236 1.00 0.00 C ATOM 754 CD2 LEU A 49 4.920 -1.401 -1.681 1.00 0.00 C ATOM 0 H LEU A 49 5.318 -5.898 -1.416 1.00 0.00 H new ATOM 0 HA LEU A 49 4.439 -4.628 -3.917 1.00 0.00 H new ATOM 0 HB2 LEU A 49 6.592 -3.869 -1.910 1.00 0.00 H new ATOM 0 HB3 LEU A 49 6.090 -2.906 -3.286 1.00 0.00 H new ATOM 0 HG LEU A 49 3.708 -3.112 -2.067 1.00 0.00 H new ATOM 0 HD11 LEU A 49 4.004 -2.922 0.371 1.00 0.00 H new ATOM 0 HD12 LEU A 49 4.542 -4.506 -0.238 1.00 0.00 H new ATOM 0 HD13 LEU A 49 5.741 -3.260 0.182 1.00 0.00 H new ATOM 0 HD21 LEU A 49 4.172 -0.915 -1.054 1.00 0.00 H new ATOM 0 HD22 LEU A 49 5.916 -1.175 -1.300 1.00 0.00 H new ATOM 0 HD23 LEU A 49 4.831 -1.034 -2.703 1.00 0.00 H new ATOM 766 N TYR A 50 6.574 -4.936 -5.286 1.00 0.00 N ATOM 767 CA TYR A 50 7.625 -5.404 -6.181 1.00 0.00 C ATOM 768 C TYR A 50 8.124 -4.273 -7.075 1.00 0.00 C ATOM 769 O TYR A 50 7.348 -3.425 -7.515 1.00 0.00 O ATOM 770 CB TYR A 50 7.114 -6.561 -7.041 1.00 0.00 C ATOM 771 CG TYR A 50 6.487 -7.680 -6.240 1.00 0.00 C ATOM 772 CD1 TYR A 50 7.253 -8.460 -5.382 1.00 0.00 C ATOM 773 CD2 TYR A 50 5.129 -7.956 -6.341 1.00 0.00 C ATOM 774 CE1 TYR A 50 6.684 -9.484 -4.650 1.00 0.00 C ATOM 775 CE2 TYR A 50 4.552 -8.977 -5.610 1.00 0.00 C ATOM 776 CZ TYR A 50 5.334 -9.738 -4.767 1.00 0.00 C ATOM 777 OH TYR A 50 4.764 -10.757 -4.037 1.00 0.00 O ATOM 0 H TYR A 50 6.001 -4.183 -5.667 1.00 0.00 H new ATOM 0 HA TYR A 50 8.457 -5.754 -5.570 1.00 0.00 H new ATOM 0 HB2 TYR A 50 6.381 -6.179 -7.751 1.00 0.00 H new ATOM 0 HB3 TYR A 50 7.943 -6.963 -7.624 1.00 0.00 H new ATOM 0 HD1 TYR A 50 8.310 -8.262 -5.286 1.00 0.00 H new ATOM 0 HD2 TYR A 50 4.514 -7.363 -7.002 1.00 0.00 H new ATOM 0 HE1 TYR A 50 7.294 -10.083 -3.989 1.00 0.00 H new ATOM 0 HE2 TYR A 50 3.495 -9.178 -5.698 1.00 0.00 H new ATOM 0 HH TYR A 50 3.805 -10.803 -4.233 1.00 0.00 H new ATOM 787 N LYS A 51 9.426 -4.268 -7.340 1.00 0.00 N ATOM 788 CA LYS A 51 10.032 -3.243 -8.183 1.00 0.00 C ATOM 789 C LYS A 51 9.674 -3.464 -9.649 1.00 0.00 C ATOM 790 O LYS A 51 9.422 -2.511 -10.387 1.00 0.00 O ATOM 791 CB LYS A 51 11.552 -3.246 -8.011 1.00 0.00 C ATOM 792 CG LYS A 51 12.006 -2.905 -6.603 1.00 0.00 C ATOM 793 CD LYS A 51 13.491 -3.171 -6.415 1.00 0.00 C ATOM 794 CE LYS A 51 14.040 -2.434 -5.204 1.00 0.00 C ATOM 795 NZ LYS A 51 13.944 -3.254 -3.965 1.00 0.00 N ATOM 0 H LYS A 51 10.082 -4.962 -6.983 1.00 0.00 H new ATOM 0 HA LYS A 51 9.640 -2.274 -7.874 1.00 0.00 H new ATOM 0 HB2 LYS A 51 11.938 -4.230 -8.280 1.00 0.00 H new ATOM 0 HB3 LYS A 51 11.989 -2.531 -8.708 1.00 0.00 H new ATOM 0 HG2 LYS A 51 11.794 -1.856 -6.396 1.00 0.00 H new ATOM 0 HG3 LYS A 51 11.436 -3.493 -5.884 1.00 0.00 H new ATOM 0 HD2 LYS A 51 13.658 -4.242 -6.297 1.00 0.00 H new ATOM 0 HD3 LYS A 51 14.033 -2.860 -7.308 1.00 0.00 H new ATOM 0 HE2 LYS A 51 15.082 -2.167 -5.383 1.00 0.00 H new ATOM 0 HE3 LYS A 51 13.491 -1.502 -5.066 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 14.756 -3.049 -3.349 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 13.062 -3.024 -3.464 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 13.946 -4.263 -4.216 1.00 0.00 H new ATOM 809 N ASP A 52 9.654 -4.726 -10.065 1.00 0.00 N ATOM 810 CA ASP A 52 9.324 -5.072 -11.443 1.00 0.00 C ATOM 811 C ASP A 52 8.187 -6.088 -11.491 1.00 0.00 C ATOM 812 O ASP A 52 8.374 -7.261 -11.168 1.00 0.00 O ATOM 813 CB ASP A 52 10.555 -5.630 -12.159 1.00 0.00 C ATOM 814 CG ASP A 52 11.822 -4.877 -11.805 1.00 0.00 C ATOM 815 OD1 ASP A 52 11.818 -3.631 -11.899 1.00 0.00 O ATOM 816 OD2 ASP A 52 12.818 -5.533 -11.434 1.00 0.00 O ATOM 0 H ASP A 52 9.862 -5.526 -9.468 1.00 0.00 H new ATOM 0 HA ASP A 52 8.997 -4.165 -11.952 1.00 0.00 H new ATOM 0 HB2 ASP A 52 10.677 -6.682 -11.900 1.00 0.00 H new ATOM 0 HB3 ASP A 52 10.397 -5.583 -13.237 1.00 0.00 H new ATOM 821 N LYS A 53 7.008 -5.629 -11.896 1.00 0.00 N ATOM 822 CA LYS A 53 5.840 -6.497 -11.988 1.00 0.00 C ATOM 823 C LYS A 53 6.227 -7.879 -12.503 1.00 0.00 C ATOM 824 O LYS A 53 5.845 -8.897 -11.925 1.00 0.00 O ATOM 825 CB LYS A 53 4.787 -5.874 -12.908 1.00 0.00 C ATOM 826 CG LYS A 53 3.447 -6.587 -12.869 1.00 0.00 C ATOM 827 CD LYS A 53 2.587 -6.223 -14.067 1.00 0.00 C ATOM 828 CE LYS A 53 1.159 -6.722 -13.901 1.00 0.00 C ATOM 829 NZ LYS A 53 0.513 -7.001 -15.214 1.00 0.00 N ATOM 0 H LYS A 53 6.836 -4.661 -12.166 1.00 0.00 H new ATOM 0 HA LYS A 53 5.421 -6.607 -10.988 1.00 0.00 H new ATOM 0 HB2 LYS A 53 4.642 -4.831 -12.627 1.00 0.00 H new ATOM 0 HB3 LYS A 53 5.162 -5.879 -13.931 1.00 0.00 H new ATOM 0 HG2 LYS A 53 3.608 -7.665 -12.849 1.00 0.00 H new ATOM 0 HG3 LYS A 53 2.922 -6.326 -11.950 1.00 0.00 H new ATOM 0 HD2 LYS A 53 2.582 -5.141 -14.197 1.00 0.00 H new ATOM 0 HD3 LYS A 53 3.020 -6.651 -14.971 1.00 0.00 H new ATOM 0 HE2 LYS A 53 1.159 -7.629 -13.296 1.00 0.00 H new ATOM 0 HE3 LYS A 53 0.575 -5.978 -13.360 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -0.458 -7.339 -15.058 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 0.490 -6.130 -15.782 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 1.056 -7.730 -15.720 1.00 0.00 H new ATOM 843 N ARG A 54 6.989 -7.907 -13.592 1.00 0.00 N ATOM 844 CA ARG A 54 7.429 -9.165 -14.184 1.00 0.00 C ATOM 845 C ARG A 54 8.257 -9.974 -13.190 1.00 0.00 C ATOM 846 O ARG A 54 9.168 -9.446 -12.553 1.00 0.00 O ATOM 847 CB ARG A 54 8.247 -8.899 -15.449 1.00 0.00 C ATOM 848 CG ARG A 54 7.452 -8.231 -16.559 1.00 0.00 C ATOM 849 CD ARG A 54 8.347 -7.394 -17.460 1.00 0.00 C ATOM 850 NE ARG A 54 8.975 -6.293 -16.735 1.00 0.00 N ATOM 851 CZ ARG A 54 9.226 -5.106 -17.277 1.00 0.00 C ATOM 852 NH1 ARG A 54 8.903 -4.868 -18.541 1.00 0.00 N ATOM 853 NH2 ARG A 54 9.801 -4.154 -16.553 1.00 0.00 N ATOM 0 H ARG A 54 7.314 -7.074 -14.082 1.00 0.00 H new ATOM 0 HA ARG A 54 6.543 -9.743 -14.447 1.00 0.00 H new ATOM 0 HB2 ARG A 54 9.099 -8.269 -15.195 1.00 0.00 H new ATOM 0 HB3 ARG A 54 8.647 -9.843 -15.818 1.00 0.00 H new ATOM 0 HG2 ARG A 54 6.945 -8.991 -17.153 1.00 0.00 H new ATOM 0 HG3 ARG A 54 6.678 -7.598 -16.124 1.00 0.00 H new ATOM 0 HD2 ARG A 54 9.119 -8.029 -17.895 1.00 0.00 H new ATOM 0 HD3 ARG A 54 7.759 -6.995 -18.286 1.00 0.00 H new ATOM 0 HE ARG A 54 9.235 -6.443 -15.760 1.00 0.00 H new ATOM 0 HH11 ARG A 54 8.460 -5.597 -19.100 1.00 0.00 H new ATOM 0 HH12 ARG A 54 9.097 -3.956 -18.954 1.00 0.00 H new ATOM 0 HH21 ARG A 54 10.050 -4.333 -15.580 1.00 0.00 H new ATOM 0 HH22 ARG A 54 9.994 -3.243 -16.969 1.00 0.00 H new ATOM 867 N GLU A 55 7.934 -11.257 -13.064 1.00 0.00 N ATOM 868 CA GLU A 55 8.648 -12.137 -12.147 1.00 0.00 C ATOM 869 C GLU A 55 8.391 -11.737 -10.697 1.00 0.00 C ATOM 870 O GLU A 55 9.324 -11.585 -9.910 1.00 0.00 O ATOM 871 CB GLU A 55 10.150 -12.104 -12.438 1.00 0.00 C ATOM 872 CG GLU A 55 10.495 -12.376 -13.892 1.00 0.00 C ATOM 873 CD GLU A 55 11.978 -12.605 -14.107 1.00 0.00 C ATOM 874 OE1 GLU A 55 12.651 -13.067 -13.163 1.00 0.00 O ATOM 875 OE2 GLU A 55 12.466 -12.321 -15.221 1.00 0.00 O ATOM 0 H GLU A 55 7.183 -11.710 -13.585 1.00 0.00 H new ATOM 0 HA GLU A 55 8.278 -13.151 -12.297 1.00 0.00 H new ATOM 0 HB2 GLU A 55 10.545 -11.128 -12.156 1.00 0.00 H new ATOM 0 HB3 GLU A 55 10.649 -12.843 -11.811 1.00 0.00 H new ATOM 0 HG2 GLU A 55 9.943 -13.251 -14.235 1.00 0.00 H new ATOM 0 HG3 GLU A 55 10.169 -11.534 -14.502 1.00 0.00 H new ATOM 882 N GLN A 56 7.118 -11.568 -10.353 1.00 0.00 N ATOM 883 CA GLN A 56 6.737 -11.185 -8.999 1.00 0.00 C ATOM 884 C GLN A 56 6.331 -12.406 -8.181 1.00 0.00 C ATOM 885 O GLN A 56 5.632 -12.288 -7.174 1.00 0.00 O ATOM 886 CB GLN A 56 5.589 -10.175 -9.036 1.00 0.00 C ATOM 887 CG GLN A 56 4.262 -10.779 -9.469 1.00 0.00 C ATOM 888 CD GLN A 56 3.221 -9.727 -9.797 1.00 0.00 C ATOM 889 OE1 GLN A 56 2.820 -9.572 -10.951 1.00 0.00 O ATOM 890 NE2 GLN A 56 2.778 -8.996 -8.781 1.00 0.00 N ATOM 0 H GLN A 56 6.334 -11.690 -10.993 1.00 0.00 H new ATOM 0 HA GLN A 56 7.602 -10.724 -8.522 1.00 0.00 H new ATOM 0 HB2 GLN A 56 5.472 -9.733 -8.046 1.00 0.00 H new ATOM 0 HB3 GLN A 56 5.850 -9.365 -9.717 1.00 0.00 H new ATOM 0 HG2 GLN A 56 4.423 -11.411 -10.343 1.00 0.00 H new ATOM 0 HG3 GLN A 56 3.884 -11.423 -8.675 1.00 0.00 H new ATOM 0 HE21 GLN A 56 3.138 -9.159 -7.841 1.00 0.00 H new ATOM 0 HE22 GLN A 56 2.078 -8.272 -8.941 1.00 0.00 H new ATOM 899 N THR A 57 6.773 -13.580 -8.620 1.00 0.00 N ATOM 900 CA THR A 57 6.454 -14.824 -7.930 1.00 0.00 C ATOM 901 C THR A 57 6.814 -14.740 -6.452 1.00 0.00 C ATOM 902 O THR A 57 5.961 -14.923 -5.582 1.00 0.00 O ATOM 903 CB THR A 57 7.191 -16.021 -8.560 1.00 0.00 C ATOM 904 OG1 THR A 57 8.603 -15.779 -8.564 1.00 0.00 O ATOM 905 CG2 THR A 57 6.709 -16.267 -9.981 1.00 0.00 C ATOM 0 H THR A 57 7.353 -13.696 -9.451 1.00 0.00 H new ATOM 0 HA THR A 57 5.379 -14.975 -8.031 1.00 0.00 H new ATOM 0 HB THR A 57 6.976 -16.907 -7.963 1.00 0.00 H new ATOM 0 HG1 THR A 57 9.065 -16.545 -8.964 1.00 0.00 H new ATOM 0 HG21 THR A 57 7.244 -17.117 -10.405 1.00 0.00 H new ATOM 0 HG22 THR A 57 5.640 -16.480 -9.971 1.00 0.00 H new ATOM 0 HG23 THR A 57 6.897 -15.381 -10.587 1.00 0.00 H new ATOM 913 N THR A 58 8.083 -14.461 -6.171 1.00 0.00 N ATOM 914 CA THR A 58 8.556 -14.353 -4.797 1.00 0.00 C ATOM 915 C THR A 58 8.111 -13.040 -4.163 1.00 0.00 C ATOM 916 O THR A 58 7.806 -12.064 -4.849 1.00 0.00 O ATOM 917 CB THR A 58 10.092 -14.451 -4.722 1.00 0.00 C ATOM 918 OG1 THR A 58 10.681 -13.771 -5.836 1.00 0.00 O ATOM 919 CG2 THR A 58 10.542 -15.904 -4.713 1.00 0.00 C ATOM 0 H THR A 58 8.802 -14.306 -6.878 1.00 0.00 H new ATOM 0 HA THR A 58 8.118 -15.186 -4.246 1.00 0.00 H new ATOM 0 HB THR A 58 10.419 -13.980 -3.795 1.00 0.00 H new ATOM 0 HG1 THR A 58 11.657 -13.836 -5.780 1.00 0.00 H new ATOM 0 HG21 THR A 58 11.630 -15.948 -4.660 1.00 0.00 H new ATOM 0 HG22 THR A 58 10.116 -16.412 -3.848 1.00 0.00 H new ATOM 0 HG23 THR A 58 10.203 -16.395 -5.625 1.00 0.00 H new ATOM 927 N PRO A 59 8.071 -13.012 -2.823 1.00 0.00 N ATOM 928 CA PRO A 59 7.665 -11.824 -2.068 1.00 0.00 C ATOM 929 C PRO A 59 8.692 -10.700 -2.158 1.00 0.00 C ATOM 930 O PRO A 59 9.759 -10.868 -2.748 1.00 0.00 O ATOM 931 CB PRO A 59 7.558 -12.337 -0.629 1.00 0.00 C ATOM 932 CG PRO A 59 8.475 -13.510 -0.577 1.00 0.00 C ATOM 933 CD PRO A 59 8.420 -14.139 -1.942 1.00 0.00 C ATOM 0 HA PRO A 59 6.740 -11.394 -2.452 1.00 0.00 H new ATOM 0 HB2 PRO A 59 7.854 -11.571 0.088 1.00 0.00 H new ATOM 0 HB3 PRO A 59 6.535 -12.623 -0.386 1.00 0.00 H new ATOM 0 HG2 PRO A 59 9.491 -13.201 -0.330 1.00 0.00 H new ATOM 0 HG3 PRO A 59 8.162 -14.217 0.191 1.00 0.00 H new ATOM 0 HD2 PRO A 59 9.376 -14.584 -2.218 1.00 0.00 H new ATOM 0 HD3 PRO A 59 7.674 -14.932 -1.989 1.00 0.00 H new ATOM 941 N SER A 60 8.363 -9.555 -1.569 1.00 0.00 N ATOM 942 CA SER A 60 9.256 -8.402 -1.587 1.00 0.00 C ATOM 943 C SER A 60 10.715 -8.845 -1.533 1.00 0.00 C ATOM 944 O SER A 60 11.197 -9.303 -0.497 1.00 0.00 O ATOM 945 CB SER A 60 8.948 -7.475 -0.410 1.00 0.00 C ATOM 946 OG SER A 60 7.560 -7.207 -0.320 1.00 0.00 O ATOM 0 H SER A 60 7.485 -9.401 -1.073 1.00 0.00 H new ATOM 0 HA SER A 60 9.093 -7.861 -2.519 1.00 0.00 H new ATOM 0 HB2 SER A 60 9.294 -7.932 0.517 1.00 0.00 H new ATOM 0 HB3 SER A 60 9.495 -6.540 -0.527 1.00 0.00 H new ATOM 0 HG SER A 60 7.390 -6.614 0.441 1.00 0.00 H new ATOM 952 N GLU A 61 11.411 -8.704 -2.656 1.00 0.00 N ATOM 953 CA GLU A 61 12.815 -9.090 -2.737 1.00 0.00 C ATOM 954 C GLU A 61 13.568 -8.671 -1.478 1.00 0.00 C ATOM 955 O GLU A 61 13.952 -9.511 -0.664 1.00 0.00 O ATOM 956 CB GLU A 61 13.470 -8.461 -3.969 1.00 0.00 C ATOM 957 CG GLU A 61 12.774 -8.811 -5.273 1.00 0.00 C ATOM 958 CD GLU A 61 13.332 -8.044 -6.456 1.00 0.00 C ATOM 959 OE1 GLU A 61 14.561 -7.824 -6.495 1.00 0.00 O ATOM 960 OE2 GLU A 61 12.539 -7.664 -7.344 1.00 0.00 O ATOM 0 H GLU A 61 11.026 -8.326 -3.522 1.00 0.00 H new ATOM 0 HA GLU A 61 12.862 -10.176 -2.824 1.00 0.00 H new ATOM 0 HB2 GLU A 61 13.480 -7.377 -3.852 1.00 0.00 H new ATOM 0 HB3 GLU A 61 14.509 -8.785 -4.023 1.00 0.00 H new ATOM 0 HG2 GLU A 61 12.874 -9.880 -5.458 1.00 0.00 H new ATOM 0 HG3 GLU A 61 11.708 -8.602 -5.179 1.00 0.00 H new ATOM 967 N GLU A 62 13.776 -7.367 -1.326 1.00 0.00 N ATOM 968 CA GLU A 62 14.484 -6.837 -0.167 1.00 0.00 C ATOM 969 C GLU A 62 13.503 -6.391 0.913 1.00 0.00 C ATOM 970 O GLU A 62 13.584 -6.831 2.059 1.00 0.00 O ATOM 971 CB GLU A 62 15.375 -5.663 -0.578 1.00 0.00 C ATOM 972 CG GLU A 62 16.667 -6.088 -1.256 1.00 0.00 C ATOM 973 CD GLU A 62 17.786 -6.349 -0.267 1.00 0.00 C ATOM 974 OE1 GLU A 62 17.779 -7.426 0.365 1.00 0.00 O ATOM 975 OE2 GLU A 62 18.668 -5.477 -0.124 1.00 0.00 O ATOM 0 H GLU A 62 13.464 -6.659 -1.991 1.00 0.00 H new ATOM 0 HA GLU A 62 15.108 -7.633 0.240 1.00 0.00 H new ATOM 0 HB2 GLU A 62 14.817 -5.013 -1.252 1.00 0.00 H new ATOM 0 HB3 GLU A 62 15.616 -5.073 0.307 1.00 0.00 H new ATOM 0 HG2 GLU A 62 16.486 -6.990 -1.841 1.00 0.00 H new ATOM 0 HG3 GLU A 62 16.979 -5.312 -1.955 1.00 0.00 H new ATOM 982 N GLU A 63 12.578 -5.513 0.538 1.00 0.00 N ATOM 983 CA GLU A 63 11.582 -5.006 1.475 1.00 0.00 C ATOM 984 C GLU A 63 10.829 -6.153 2.142 1.00 0.00 C ATOM 985 O GLU A 63 11.046 -7.321 1.820 1.00 0.00 O ATOM 986 CB GLU A 63 10.596 -4.084 0.755 1.00 0.00 C ATOM 987 CG GLU A 63 11.223 -2.794 0.253 1.00 0.00 C ATOM 988 CD GLU A 63 12.205 -3.025 -0.879 1.00 0.00 C ATOM 989 OE1 GLU A 63 11.765 -3.077 -2.046 1.00 0.00 O ATOM 990 OE2 GLU A 63 13.415 -3.154 -0.596 1.00 0.00 O ATOM 0 H GLU A 63 12.498 -5.138 -0.407 1.00 0.00 H new ATOM 0 HA GLU A 63 12.102 -4.439 2.247 1.00 0.00 H new ATOM 0 HB2 GLU A 63 10.162 -4.619 -0.089 1.00 0.00 H new ATOM 0 HB3 GLU A 63 9.778 -3.841 1.433 1.00 0.00 H new ATOM 0 HG2 GLU A 63 10.436 -2.120 -0.085 1.00 0.00 H new ATOM 0 HG3 GLU A 63 11.735 -2.298 1.078 1.00 0.00 H new ATOM 997 N GLN A 64 9.943 -5.810 3.072 1.00 0.00 N ATOM 998 CA GLN A 64 9.159 -6.811 3.785 1.00 0.00 C ATOM 999 C GLN A 64 7.665 -6.545 3.628 1.00 0.00 C ATOM 1000 O GLN A 64 7.229 -5.411 3.434 1.00 0.00 O ATOM 1001 CB GLN A 64 9.534 -6.822 5.268 1.00 0.00 C ATOM 1002 CG GLN A 64 8.831 -5.748 6.081 1.00 0.00 C ATOM 1003 CD GLN A 64 8.987 -5.952 7.576 1.00 0.00 C ATOM 1004 OE1 GLN A 64 8.931 -7.078 8.069 1.00 0.00 O ATOM 1005 NE2 GLN A 64 9.184 -4.860 8.305 1.00 0.00 N ATOM 0 H GLN A 64 9.751 -4.847 3.349 1.00 0.00 H new ATOM 0 HA GLN A 64 9.383 -7.787 3.354 1.00 0.00 H new ATOM 0 HB2 GLN A 64 9.294 -7.799 5.688 1.00 0.00 H new ATOM 0 HB3 GLN A 64 10.612 -6.690 5.363 1.00 0.00 H new ATOM 0 HG2 GLN A 64 9.230 -4.771 5.808 1.00 0.00 H new ATOM 0 HG3 GLN A 64 7.771 -5.741 5.828 1.00 0.00 H new ATOM 0 HE21 GLN A 64 9.223 -3.946 7.854 1.00 0.00 H new ATOM 0 HE22 GLN A 64 9.296 -4.935 9.316 1.00 0.00 H new ATOM 1014 N PRO A 65 6.861 -7.615 3.714 1.00 0.00 N ATOM 1015 CA PRO A 65 5.404 -7.523 3.585 1.00 0.00 C ATOM 1016 C PRO A 65 4.760 -6.821 4.775 1.00 0.00 C ATOM 1017 O PRO A 65 5.208 -6.969 5.912 1.00 0.00 O ATOM 1018 CB PRO A 65 4.959 -8.986 3.523 1.00 0.00 C ATOM 1019 CG PRO A 65 6.035 -9.739 4.228 1.00 0.00 C ATOM 1020 CD PRO A 65 7.312 -8.998 3.945 1.00 0.00 C ATOM 0 HA PRO A 65 5.109 -6.937 2.715 1.00 0.00 H new ATOM 0 HB2 PRO A 65 3.993 -9.127 4.009 1.00 0.00 H new ATOM 0 HB3 PRO A 65 4.850 -9.323 2.492 1.00 0.00 H new ATOM 0 HG2 PRO A 65 5.840 -9.786 5.299 1.00 0.00 H new ATOM 0 HG3 PRO A 65 6.092 -10.766 3.869 1.00 0.00 H new ATOM 0 HD2 PRO A 65 8.006 -9.059 4.783 1.00 0.00 H new ATOM 0 HD3 PRO A 65 7.827 -9.403 3.074 1.00 0.00 H new ATOM 1028 N ILE A 66 3.706 -6.057 4.507 1.00 0.00 N ATOM 1029 CA ILE A 66 3.000 -5.333 5.557 1.00 0.00 C ATOM 1030 C ILE A 66 1.603 -5.904 5.774 1.00 0.00 C ATOM 1031 O ILE A 66 0.850 -6.110 4.822 1.00 0.00 O ATOM 1032 CB ILE A 66 2.884 -3.834 5.226 1.00 0.00 C ATOM 1033 CG1 ILE A 66 4.269 -3.235 4.975 1.00 0.00 C ATOM 1034 CG2 ILE A 66 2.179 -3.096 6.355 1.00 0.00 C ATOM 1035 CD1 ILE A 66 4.257 -2.065 4.017 1.00 0.00 C ATOM 0 H ILE A 66 3.322 -5.923 3.571 1.00 0.00 H new ATOM 0 HA ILE A 66 3.584 -5.451 6.470 1.00 0.00 H new ATOM 0 HB ILE A 66 2.291 -3.723 4.318 1.00 0.00 H new ATOM 0 HG12 ILE A 66 4.694 -2.912 5.925 1.00 0.00 H new ATOM 0 HG13 ILE A 66 4.925 -4.011 4.580 1.00 0.00 H new ATOM 0 HG21 ILE A 66 2.104 -2.037 6.107 1.00 0.00 H new ATOM 0 HG22 ILE A 66 1.179 -3.508 6.491 1.00 0.00 H new ATOM 0 HG23 ILE A 66 2.748 -3.213 7.277 1.00 0.00 H new ATOM 0 HD11 ILE A 66 5.273 -1.691 3.886 1.00 0.00 H new ATOM 0 HD12 ILE A 66 3.862 -2.388 3.054 1.00 0.00 H new ATOM 0 HD13 ILE A 66 3.627 -1.272 4.420 1.00 0.00 H new ATOM 1047 N SER A 67 1.262 -6.158 7.034 1.00 0.00 N ATOM 1048 CA SER A 67 -0.044 -6.707 7.376 1.00 0.00 C ATOM 1049 C SER A 67 -1.082 -5.597 7.512 1.00 0.00 C ATOM 1050 O SER A 67 -1.043 -4.807 8.455 1.00 0.00 O ATOM 1051 CB SER A 67 0.040 -7.504 8.680 1.00 0.00 C ATOM 1052 OG SER A 67 0.396 -6.667 9.767 1.00 0.00 O ATOM 0 H SER A 67 1.872 -5.992 7.834 1.00 0.00 H new ATOM 0 HA SER A 67 -0.353 -7.373 6.570 1.00 0.00 H new ATOM 0 HB2 SER A 67 -0.920 -7.979 8.882 1.00 0.00 H new ATOM 0 HB3 SER A 67 0.775 -8.302 8.575 1.00 0.00 H new ATOM 0 HG SER A 67 0.117 -5.747 9.577 1.00 0.00 H new ATOM 1058 N VAL A 68 -2.010 -5.543 6.561 1.00 0.00 N ATOM 1059 CA VAL A 68 -3.059 -4.531 6.573 1.00 0.00 C ATOM 1060 C VAL A 68 -4.146 -4.879 7.584 1.00 0.00 C ATOM 1061 O VAL A 68 -4.869 -4.005 8.059 1.00 0.00 O ATOM 1062 CB VAL A 68 -3.700 -4.371 5.182 1.00 0.00 C ATOM 1063 CG1 VAL A 68 -2.651 -3.977 4.153 1.00 0.00 C ATOM 1064 CG2 VAL A 68 -4.408 -5.653 4.771 1.00 0.00 C ATOM 0 H VAL A 68 -2.056 -6.189 5.773 1.00 0.00 H new ATOM 0 HA VAL A 68 -2.588 -3.590 6.859 1.00 0.00 H new ATOM 0 HB VAL A 68 -4.442 -3.574 5.232 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -3.122 -3.868 3.176 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -2.195 -3.031 4.443 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -1.884 -4.749 4.102 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -4.855 -5.522 3.786 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -3.689 -6.471 4.737 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -5.188 -5.886 5.495 1.00 0.00 H new ATOM 1074 N ASN A 69 -4.255 -6.163 7.909 1.00 0.00 N ATOM 1075 CA ASN A 69 -5.255 -6.628 8.864 1.00 0.00 C ATOM 1076 C ASN A 69 -5.484 -5.591 9.960 1.00 0.00 C ATOM 1077 O ASN A 69 -4.588 -5.303 10.753 1.00 0.00 O ATOM 1078 CB ASN A 69 -4.818 -7.956 9.487 1.00 0.00 C ATOM 1079 CG ASN A 69 -5.970 -8.697 10.137 1.00 0.00 C ATOM 1080 OD1 ASN A 69 -7.001 -8.938 9.508 1.00 0.00 O ATOM 1081 ND2 ASN A 69 -5.800 -9.061 11.402 1.00 0.00 N ATOM 0 H ASN A 69 -3.663 -6.900 7.525 1.00 0.00 H new ATOM 0 HA ASN A 69 -6.192 -6.777 8.327 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -4.373 -8.586 8.717 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -4.045 -7.768 10.232 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -6.541 -9.562 11.893 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -4.928 -8.840 11.884 1.00 0.00 H new ATOM 1088 N ALA A 70 -6.689 -5.033 9.997 1.00 0.00 N ATOM 1089 CA ALA A 70 -7.037 -4.031 10.996 1.00 0.00 C ATOM 1090 C ALA A 70 -6.239 -2.748 10.787 1.00 0.00 C ATOM 1091 O ALA A 70 -5.699 -2.181 11.738 1.00 0.00 O ATOM 1092 CB ALA A 70 -6.805 -4.578 12.396 1.00 0.00 C ATOM 0 H ALA A 70 -7.441 -5.258 9.346 1.00 0.00 H new ATOM 0 HA ALA A 70 -8.095 -3.793 10.883 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -7.069 -3.818 13.132 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -7.424 -5.462 12.549 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -5.755 -4.846 12.512 1.00 0.00 H new ATOM 1098 N CYS A 71 -6.168 -2.297 9.540 1.00 0.00 N ATOM 1099 CA CYS A 71 -5.433 -1.082 9.207 1.00 0.00 C ATOM 1100 C CYS A 71 -6.349 0.137 9.255 1.00 0.00 C ATOM 1101 O CYS A 71 -7.568 0.007 9.372 1.00 0.00 O ATOM 1102 CB CYS A 71 -4.802 -1.207 7.820 1.00 0.00 C ATOM 1103 SG CYS A 71 -5.910 -1.884 6.563 1.00 0.00 S ATOM 0 H CYS A 71 -6.610 -2.754 8.743 1.00 0.00 H new ATOM 0 HA CYS A 71 -4.643 -0.950 9.946 1.00 0.00 H new ATOM 0 HB2 CYS A 71 -4.462 -0.223 7.497 1.00 0.00 H new ATOM 0 HB3 CYS A 71 -3.919 -1.842 7.890 1.00 0.00 H new ATOM 0 HG CYS A 71 -5.405 -1.679 5.383 1.00 0.00 H new ATOM 1109 N LEU A 72 -5.754 1.321 9.165 1.00 0.00 N ATOM 1110 CA LEU A 72 -6.515 2.565 9.199 1.00 0.00 C ATOM 1111 C LEU A 72 -6.196 3.433 7.986 1.00 0.00 C ATOM 1112 O LEU A 72 -5.152 4.085 7.935 1.00 0.00 O ATOM 1113 CB LEU A 72 -6.213 3.335 10.486 1.00 0.00 C ATOM 1114 CG LEU A 72 -6.712 2.697 11.783 1.00 0.00 C ATOM 1115 CD1 LEU A 72 -5.988 3.290 12.982 1.00 0.00 C ATOM 1116 CD2 LEU A 72 -8.216 2.878 11.923 1.00 0.00 C ATOM 0 H LEU A 72 -4.746 1.446 9.068 1.00 0.00 H new ATOM 0 HA LEU A 72 -7.575 2.314 9.173 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -5.134 3.467 10.562 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -6.651 4.330 10.402 1.00 0.00 H new ATOM 0 HG LEU A 72 -6.497 1.629 11.746 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -6.356 2.824 13.896 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -4.918 3.108 12.887 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -6.171 4.364 13.023 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -8.553 2.418 12.852 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -8.455 3.941 11.938 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -8.719 2.405 11.080 1.00 0.00 H new ATOM 1128 N ILE A 73 -7.101 3.438 7.014 1.00 0.00 N ATOM 1129 CA ILE A 73 -6.917 4.228 5.803 1.00 0.00 C ATOM 1130 C ILE A 73 -7.556 5.605 5.944 1.00 0.00 C ATOM 1131 O ILE A 73 -8.598 5.755 6.583 1.00 0.00 O ATOM 1132 CB ILE A 73 -7.513 3.520 4.573 1.00 0.00 C ATOM 1133 CG1 ILE A 73 -6.589 2.393 4.107 1.00 0.00 C ATOM 1134 CG2 ILE A 73 -7.747 4.519 3.449 1.00 0.00 C ATOM 1135 CD1 ILE A 73 -7.246 1.434 3.139 1.00 0.00 C ATOM 0 H ILE A 73 -7.969 2.904 7.041 1.00 0.00 H new ATOM 0 HA ILE A 73 -5.842 4.342 5.660 1.00 0.00 H new ATOM 0 HB ILE A 73 -8.472 3.085 4.853 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -5.709 2.828 3.634 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -6.241 1.836 4.977 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -8.169 4.004 2.586 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -8.440 5.290 3.786 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -6.800 4.980 3.169 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -6.533 0.662 2.851 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -8.110 0.971 3.616 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -7.570 1.978 2.251 1.00 0.00 H new ATOM 1147 N ASP A 74 -6.927 6.608 5.340 1.00 0.00 N ATOM 1148 CA ASP A 74 -7.436 7.973 5.395 1.00 0.00 C ATOM 1149 C ASP A 74 -6.792 8.837 4.315 1.00 0.00 C ATOM 1150 O ASP A 74 -5.567 8.917 4.219 1.00 0.00 O ATOM 1151 CB ASP A 74 -7.177 8.582 6.774 1.00 0.00 C ATOM 1152 CG ASP A 74 -8.015 7.935 7.859 1.00 0.00 C ATOM 1153 OD1 ASP A 74 -9.258 8.033 7.786 1.00 0.00 O ATOM 1154 OD2 ASP A 74 -7.428 7.332 8.782 1.00 0.00 O ATOM 0 H ASP A 74 -6.064 6.501 4.807 1.00 0.00 H new ATOM 0 HA ASP A 74 -8.511 7.941 5.217 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -6.121 8.476 7.022 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -7.391 9.650 6.742 1.00 0.00 H new ATOM 1159 N ILE A 75 -7.625 9.481 3.504 1.00 0.00 N ATOM 1160 CA ILE A 75 -7.137 10.338 2.431 1.00 0.00 C ATOM 1161 C ILE A 75 -6.045 11.277 2.932 1.00 0.00 C ATOM 1162 O ILE A 75 -6.323 12.253 3.630 1.00 0.00 O ATOM 1163 CB ILE A 75 -8.275 11.173 1.816 1.00 0.00 C ATOM 1164 CG1 ILE A 75 -9.361 10.256 1.250 1.00 0.00 C ATOM 1165 CG2 ILE A 75 -7.731 12.091 0.731 1.00 0.00 C ATOM 1166 CD1 ILE A 75 -10.559 11.003 0.707 1.00 0.00 C ATOM 0 H ILE A 75 -8.641 9.425 3.570 1.00 0.00 H new ATOM 0 HA ILE A 75 -6.725 9.681 1.665 1.00 0.00 H new ATOM 0 HB ILE A 75 -8.718 11.789 2.598 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -8.932 9.646 0.455 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -9.693 9.573 2.032 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -8.547 12.675 0.306 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -6.990 12.764 1.162 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -7.266 11.493 -0.053 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -11.288 10.290 0.322 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -11.013 11.592 1.504 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -10.240 11.666 -0.097 1.00 0.00 H new ATOM 1178 N SER A 76 -4.802 10.978 2.570 1.00 0.00 N ATOM 1179 CA SER A 76 -3.667 11.795 2.985 1.00 0.00 C ATOM 1180 C SER A 76 -4.061 13.266 3.074 1.00 0.00 C ATOM 1181 O SER A 76 -4.889 13.747 2.300 1.00 0.00 O ATOM 1182 CB SER A 76 -2.505 11.625 2.005 1.00 0.00 C ATOM 1183 OG SER A 76 -2.701 12.407 0.840 1.00 0.00 O ATOM 0 H SER A 76 -4.555 10.176 1.990 1.00 0.00 H new ATOM 0 HA SER A 76 -3.352 11.461 3.973 1.00 0.00 H new ATOM 0 HB2 SER A 76 -1.572 11.915 2.489 1.00 0.00 H new ATOM 0 HB3 SER A 76 -2.408 10.575 1.730 1.00 0.00 H new ATOM 0 HG SER A 76 -3.325 11.948 0.239 1.00 0.00 H new ATOM 1189 N TYR A 77 -3.462 13.975 4.024 1.00 0.00 N ATOM 1190 CA TYR A 77 -3.750 15.391 4.218 1.00 0.00 C ATOM 1191 C TYR A 77 -3.624 16.157 2.905 1.00 0.00 C ATOM 1192 O TYR A 77 -3.385 15.569 1.850 1.00 0.00 O ATOM 1193 CB TYR A 77 -2.805 15.988 5.262 1.00 0.00 C ATOM 1194 CG TYR A 77 -1.407 15.414 5.212 1.00 0.00 C ATOM 1195 CD1 TYR A 77 -0.798 15.123 3.997 1.00 0.00 C ATOM 1196 CD2 TYR A 77 -0.695 15.164 6.378 1.00 0.00 C ATOM 1197 CE1 TYR A 77 0.479 14.598 3.947 1.00 0.00 C ATOM 1198 CE2 TYR A 77 0.583 14.641 6.337 1.00 0.00 C ATOM 1199 CZ TYR A 77 1.165 14.359 5.119 1.00 0.00 C ATOM 1200 OH TYR A 77 2.438 13.837 5.073 1.00 0.00 O ATOM 0 H TYR A 77 -2.774 13.592 4.672 1.00 0.00 H new ATOM 0 HA TYR A 77 -4.776 15.481 4.574 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -2.751 17.067 5.116 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -3.222 15.821 6.255 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -1.332 15.310 3.077 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -1.148 15.382 7.334 1.00 0.00 H new ATOM 0 HE1 TYR A 77 0.938 14.376 2.995 1.00 0.00 H new ATOM 0 HE2 TYR A 77 1.123 14.454 7.253 1.00 0.00 H new ATOM 0 HH TYR A 77 2.781 13.730 5.985 1.00 0.00 H new ATOM 1210 N SER A 78 -3.787 17.475 2.978 1.00 0.00 N ATOM 1211 CA SER A 78 -3.695 18.323 1.795 1.00 0.00 C ATOM 1212 C SER A 78 -2.238 18.595 1.434 1.00 0.00 C ATOM 1213 O SER A 78 -1.888 18.704 0.260 1.00 0.00 O ATOM 1214 CB SER A 78 -4.429 19.644 2.031 1.00 0.00 C ATOM 1215 OG SER A 78 -4.575 20.369 0.822 1.00 0.00 O ATOM 0 H SER A 78 -3.983 17.978 3.843 1.00 0.00 H new ATOM 0 HA SER A 78 -4.165 17.798 0.964 1.00 0.00 H new ATOM 0 HB2 SER A 78 -5.411 19.446 2.461 1.00 0.00 H new ATOM 0 HB3 SER A 78 -3.879 20.245 2.755 1.00 0.00 H new ATOM 0 HG SER A 78 -5.048 21.209 0.999 1.00 0.00 H new ATOM 1221 N GLU A 79 -1.392 18.705 2.455 1.00 0.00 N ATOM 1222 CA GLU A 79 0.027 18.965 2.245 1.00 0.00 C ATOM 1223 C GLU A 79 0.558 18.164 1.060 1.00 0.00 C ATOM 1224 O GLU A 79 1.279 18.692 0.212 1.00 0.00 O ATOM 1225 CB GLU A 79 0.823 18.620 3.506 1.00 0.00 C ATOM 1226 CG GLU A 79 0.895 19.758 4.510 1.00 0.00 C ATOM 1227 CD GLU A 79 1.875 20.839 4.099 1.00 0.00 C ATOM 1228 OE1 GLU A 79 1.784 21.314 2.947 1.00 0.00 O ATOM 1229 OE2 GLU A 79 2.732 21.210 4.927 1.00 0.00 O ATOM 0 H GLU A 79 -1.665 18.618 3.434 1.00 0.00 H new ATOM 0 HA GLU A 79 0.147 20.026 2.027 1.00 0.00 H new ATOM 0 HB2 GLU A 79 0.370 17.752 3.985 1.00 0.00 H new ATOM 0 HB3 GLU A 79 1.835 18.334 3.220 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -0.096 20.197 4.627 1.00 0.00 H new ATOM 0 HG3 GLU A 79 1.185 19.361 5.483 1.00 0.00 H new ATOM 1236 N THR A 80 0.197 16.886 1.008 1.00 0.00 N ATOM 1237 CA THR A 80 0.638 16.011 -0.071 1.00 0.00 C ATOM 1238 C THR A 80 0.443 16.673 -1.431 1.00 0.00 C ATOM 1239 O THR A 80 -0.654 16.661 -1.988 1.00 0.00 O ATOM 1240 CB THR A 80 -0.121 14.670 -0.053 1.00 0.00 C ATOM 1241 OG1 THR A 80 -1.423 14.852 0.515 1.00 0.00 O ATOM 1242 CG2 THR A 80 0.645 13.626 0.745 1.00 0.00 C ATOM 0 H THR A 80 -0.400 16.434 1.701 1.00 0.00 H new ATOM 0 HA THR A 80 1.699 15.822 0.090 1.00 0.00 H new ATOM 0 HB THR A 80 -0.219 14.319 -1.080 1.00 0.00 H new ATOM 0 HG1 THR A 80 -1.858 13.980 0.621 1.00 0.00 H new ATOM 0 HG21 THR A 80 0.090 12.688 0.744 1.00 0.00 H new ATOM 0 HG22 THR A 80 1.624 13.469 0.293 1.00 0.00 H new ATOM 0 HG23 THR A 80 0.770 13.972 1.771 1.00 0.00 H new ATOM 1250 N LYS A 81 1.516 17.251 -1.961 1.00 0.00 N ATOM 1251 CA LYS A 81 1.465 17.918 -3.257 1.00 0.00 C ATOM 1252 C LYS A 81 0.804 17.025 -4.302 1.00 0.00 C ATOM 1253 O LYS A 81 -0.075 17.466 -5.043 1.00 0.00 O ATOM 1254 CB LYS A 81 2.875 18.298 -3.714 1.00 0.00 C ATOM 1255 CG LYS A 81 3.419 19.544 -3.036 1.00 0.00 C ATOM 1256 CD LYS A 81 4.229 19.196 -1.798 1.00 0.00 C ATOM 1257 CE LYS A 81 4.721 20.446 -1.085 1.00 0.00 C ATOM 1258 NZ LYS A 81 5.538 20.115 0.115 1.00 0.00 N ATOM 0 H LYS A 81 2.432 17.271 -1.513 1.00 0.00 H new ATOM 0 HA LYS A 81 0.869 18.824 -3.148 1.00 0.00 H new ATOM 0 HB2 LYS A 81 3.549 17.464 -3.517 1.00 0.00 H new ATOM 0 HB3 LYS A 81 2.868 18.455 -4.793 1.00 0.00 H new ATOM 0 HG2 LYS A 81 4.044 20.098 -3.737 1.00 0.00 H new ATOM 0 HG3 LYS A 81 2.593 20.199 -2.759 1.00 0.00 H new ATOM 0 HD2 LYS A 81 3.618 18.604 -1.117 1.00 0.00 H new ATOM 0 HD3 LYS A 81 5.081 18.578 -2.081 1.00 0.00 H new ATOM 0 HE2 LYS A 81 5.315 21.047 -1.774 1.00 0.00 H new ATOM 0 HE3 LYS A 81 3.867 21.054 -0.786 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 5.854 20.994 0.573 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 4.964 19.563 0.784 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 6.367 19.557 -0.173 1.00 0.00 H new ATOM 1272 N ARG A 82 1.231 15.767 -4.355 1.00 0.00 N ATOM 1273 CA ARG A 82 0.680 14.813 -5.309 1.00 0.00 C ATOM 1274 C ARG A 82 -0.818 14.623 -5.085 1.00 0.00 C ATOM 1275 O ARG A 82 -1.350 14.982 -4.034 1.00 0.00 O ATOM 1276 CB ARG A 82 1.399 13.468 -5.191 1.00 0.00 C ATOM 1277 CG ARG A 82 2.903 13.563 -5.384 1.00 0.00 C ATOM 1278 CD ARG A 82 3.621 12.378 -4.757 1.00 0.00 C ATOM 1279 NE ARG A 82 3.748 11.260 -5.688 1.00 0.00 N ATOM 1280 CZ ARG A 82 4.599 11.246 -6.708 1.00 0.00 C ATOM 1281 NH1 ARG A 82 5.394 12.284 -6.927 1.00 0.00 N ATOM 1282 NH2 ARG A 82 4.656 10.191 -7.512 1.00 0.00 N ATOM 0 H ARG A 82 1.957 15.385 -3.748 1.00 0.00 H new ATOM 0 HA ARG A 82 0.832 15.212 -6.312 1.00 0.00 H new ATOM 0 HB2 ARG A 82 1.193 13.041 -4.210 1.00 0.00 H new ATOM 0 HB3 ARG A 82 0.989 12.780 -5.931 1.00 0.00 H new ATOM 0 HG2 ARG A 82 3.132 13.607 -6.449 1.00 0.00 H new ATOM 0 HG3 ARG A 82 3.270 14.489 -4.940 1.00 0.00 H new ATOM 0 HD2 ARG A 82 4.612 12.688 -4.426 1.00 0.00 H new ATOM 0 HD3 ARG A 82 3.077 12.052 -3.871 1.00 0.00 H new ATOM 0 HE ARG A 82 3.151 10.445 -5.547 1.00 0.00 H new ATOM 0 HH11 ARG A 82 5.353 13.096 -6.311 1.00 0.00 H new ATOM 0 HH12 ARG A 82 6.046 12.270 -7.711 1.00 0.00 H new ATOM 0 HH21 ARG A 82 4.046 9.390 -7.347 1.00 0.00 H new ATOM 0 HH22 ARG A 82 5.310 10.181 -8.295 1.00 0.00 H new ATOM 1296 N LYS A 83 -1.492 14.056 -6.080 1.00 0.00 N ATOM 1297 CA LYS A 83 -2.928 13.817 -5.992 1.00 0.00 C ATOM 1298 C LYS A 83 -3.224 12.328 -5.847 1.00 0.00 C ATOM 1299 O LYS A 83 -2.323 11.495 -5.944 1.00 0.00 O ATOM 1300 CB LYS A 83 -3.635 14.370 -7.232 1.00 0.00 C ATOM 1301 CG LYS A 83 -3.362 15.843 -7.481 1.00 0.00 C ATOM 1302 CD LYS A 83 -2.125 16.044 -8.340 1.00 0.00 C ATOM 1303 CE LYS A 83 -2.471 16.052 -9.821 1.00 0.00 C ATOM 1304 NZ LYS A 83 -2.456 14.680 -10.401 1.00 0.00 N ATOM 0 H LYS A 83 -1.067 13.753 -6.957 1.00 0.00 H new ATOM 0 HA LYS A 83 -3.303 14.332 -5.107 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -3.320 13.798 -8.105 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -4.709 14.221 -7.124 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -4.224 16.296 -7.971 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -3.231 16.356 -6.528 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -1.644 16.985 -8.073 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -1.407 15.250 -8.137 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -3.457 16.495 -9.961 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -1.760 16.681 -10.357 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -2.289 14.738 -11.426 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -1.697 14.124 -9.958 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -3.371 14.219 -10.225 1.00 0.00 H new ATOM 1318 N ASN A 84 -4.491 12.000 -5.617 1.00 0.00 N ATOM 1319 CA ASN A 84 -4.905 10.610 -5.460 1.00 0.00 C ATOM 1320 C ASN A 84 -3.981 9.873 -4.495 1.00 0.00 C ATOM 1321 O ASN A 84 -3.467 8.799 -4.809 1.00 0.00 O ATOM 1322 CB ASN A 84 -4.914 9.903 -6.817 1.00 0.00 C ATOM 1323 CG ASN A 84 -3.817 10.404 -7.737 1.00 0.00 C ATOM 1324 OD1 ASN A 84 -2.703 9.881 -7.736 1.00 0.00 O ATOM 1325 ND2 ASN A 84 -4.130 11.423 -8.529 1.00 0.00 N ATOM 0 H ASN A 84 -5.249 12.678 -5.535 1.00 0.00 H new ATOM 0 HA ASN A 84 -5.914 10.601 -5.047 1.00 0.00 H new ATOM 0 HB2 ASN A 84 -4.796 8.830 -6.665 1.00 0.00 H new ATOM 0 HB3 ASN A 84 -5.882 10.053 -7.295 1.00 0.00 H new ATOM 0 HD21 ASN A 84 -3.434 11.803 -9.170 1.00 0.00 H new ATOM 0 HD22 ASN A 84 -5.067 11.826 -8.496 1.00 0.00 H new ATOM 1332 N VAL A 85 -3.774 10.458 -3.320 1.00 0.00 N ATOM 1333 CA VAL A 85 -2.914 9.856 -2.308 1.00 0.00 C ATOM 1334 C VAL A 85 -3.702 9.515 -1.048 1.00 0.00 C ATOM 1335 O VAL A 85 -4.353 10.377 -0.458 1.00 0.00 O ATOM 1336 CB VAL A 85 -1.749 10.792 -1.933 1.00 0.00 C ATOM 1337 CG1 VAL A 85 -0.903 10.176 -0.829 1.00 0.00 C ATOM 1338 CG2 VAL A 85 -0.900 11.101 -3.157 1.00 0.00 C ATOM 0 H VAL A 85 -4.190 11.348 -3.045 1.00 0.00 H new ATOM 0 HA VAL A 85 -2.511 8.940 -2.740 1.00 0.00 H new ATOM 0 HB VAL A 85 -2.163 11.729 -1.560 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -0.085 10.851 -0.578 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -1.521 10.010 0.053 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -0.496 9.224 -1.171 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -0.082 11.763 -2.874 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -0.493 10.174 -3.561 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -1.516 11.587 -3.914 1.00 0.00 H new ATOM 1348 N PHE A 86 -3.639 8.251 -0.642 1.00 0.00 N ATOM 1349 CA PHE A 86 -4.348 7.794 0.548 1.00 0.00 C ATOM 1350 C PHE A 86 -3.368 7.301 1.609 1.00 0.00 C ATOM 1351 O PHE A 86 -2.455 6.529 1.314 1.00 0.00 O ATOM 1352 CB PHE A 86 -5.330 6.678 0.186 1.00 0.00 C ATOM 1353 CG PHE A 86 -4.740 5.629 -0.713 1.00 0.00 C ATOM 1354 CD1 PHE A 86 -4.394 5.932 -2.020 1.00 0.00 C ATOM 1355 CD2 PHE A 86 -4.532 4.340 -0.250 1.00 0.00 C ATOM 1356 CE1 PHE A 86 -3.850 4.969 -2.849 1.00 0.00 C ATOM 1357 CE2 PHE A 86 -3.989 3.373 -1.075 1.00 0.00 C ATOM 1358 CZ PHE A 86 -3.649 3.687 -2.376 1.00 0.00 C ATOM 0 H PHE A 86 -3.104 7.525 -1.119 1.00 0.00 H new ATOM 0 HA PHE A 86 -4.904 8.638 0.956 1.00 0.00 H new ATOM 0 HB2 PHE A 86 -5.682 6.204 1.102 1.00 0.00 H new ATOM 0 HB3 PHE A 86 -6.201 7.115 -0.302 1.00 0.00 H new ATOM 0 HD1 PHE A 86 -4.551 6.932 -2.395 1.00 0.00 H new ATOM 0 HD2 PHE A 86 -4.797 4.088 0.766 1.00 0.00 H new ATOM 0 HE1 PHE A 86 -3.583 5.219 -3.865 1.00 0.00 H new ATOM 0 HE2 PHE A 86 -3.831 2.372 -0.702 1.00 0.00 H new ATOM 0 HZ PHE A 86 -3.227 2.932 -3.022 1.00 0.00 H new ATOM 1368 N ARG A 87 -3.564 7.753 2.843 1.00 0.00 N ATOM 1369 CA ARG A 87 -2.698 7.359 3.947 1.00 0.00 C ATOM 1370 C ARG A 87 -3.207 6.082 4.610 1.00 0.00 C ATOM 1371 O ARG A 87 -4.352 6.017 5.059 1.00 0.00 O ATOM 1372 CB ARG A 87 -2.612 8.483 4.981 1.00 0.00 C ATOM 1373 CG ARG A 87 -1.427 8.354 5.924 1.00 0.00 C ATOM 1374 CD ARG A 87 -1.027 9.701 6.505 1.00 0.00 C ATOM 1375 NE ARG A 87 -1.854 10.072 7.649 1.00 0.00 N ATOM 1376 CZ ARG A 87 -1.570 11.079 8.467 1.00 0.00 C ATOM 1377 NH1 ARG A 87 -0.484 11.814 8.266 1.00 0.00 N ATOM 1378 NH2 ARG A 87 -2.372 11.355 9.487 1.00 0.00 N ATOM 0 H ARG A 87 -4.315 8.392 3.103 1.00 0.00 H new ATOM 0 HA ARG A 87 -1.704 7.167 3.544 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -2.550 9.439 4.461 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -3.531 8.498 5.566 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -1.678 7.668 6.733 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -0.581 7.922 5.390 1.00 0.00 H new ATOM 0 HD2 ARG A 87 0.019 9.668 6.810 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -1.110 10.467 5.734 1.00 0.00 H new ATOM 0 HE ARG A 87 -2.697 9.527 7.830 1.00 0.00 H new ATOM 0 HH11 ARG A 87 0.135 11.606 7.482 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -0.268 12.587 8.895 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -3.209 10.793 9.644 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -2.152 12.129 10.114 1.00 0.00 H new ATOM 1392 N LEU A 88 -2.350 5.069 4.665 1.00 0.00 N ATOM 1393 CA LEU A 88 -2.713 3.793 5.272 1.00 0.00 C ATOM 1394 C LEU A 88 -1.787 3.461 6.438 1.00 0.00 C ATOM 1395 O LEU A 88 -0.564 3.487 6.301 1.00 0.00 O ATOM 1396 CB LEU A 88 -2.658 2.675 4.229 1.00 0.00 C ATOM 1397 CG LEU A 88 -2.576 1.250 4.776 1.00 0.00 C ATOM 1398 CD1 LEU A 88 -3.232 0.271 3.814 1.00 0.00 C ATOM 1399 CD2 LEU A 88 -1.128 0.859 5.033 1.00 0.00 C ATOM 0 H LEU A 88 -1.399 5.106 4.297 1.00 0.00 H new ATOM 0 HA LEU A 88 -3.731 3.877 5.653 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -3.544 2.750 3.598 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -1.794 2.847 3.587 1.00 0.00 H new ATOM 0 HG LEU A 88 -3.114 1.213 5.723 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -3.164 -0.738 4.220 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -4.280 0.539 3.681 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -2.722 0.310 2.851 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -1.089 -0.158 5.422 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -0.566 0.913 4.101 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -0.690 1.542 5.761 1.00 0.00 H new ATOM 1411 N THR A 89 -2.379 3.148 7.587 1.00 0.00 N ATOM 1412 CA THR A 89 -1.608 2.810 8.776 1.00 0.00 C ATOM 1413 C THR A 89 -1.806 1.349 9.164 1.00 0.00 C ATOM 1414 O THR A 89 -2.933 0.900 9.381 1.00 0.00 O ATOM 1415 CB THR A 89 -1.996 3.703 9.970 1.00 0.00 C ATOM 1416 OG1 THR A 89 -2.070 5.071 9.554 1.00 0.00 O ATOM 1417 CG2 THR A 89 -0.988 3.565 11.100 1.00 0.00 C ATOM 0 H THR A 89 -3.390 3.122 7.718 1.00 0.00 H new ATOM 0 HA THR A 89 -0.560 2.979 8.530 1.00 0.00 H new ATOM 0 HB THR A 89 -2.971 3.381 10.334 1.00 0.00 H new ATOM 0 HG1 THR A 89 -2.319 5.632 10.318 1.00 0.00 H new ATOM 0 HG21 THR A 89 -1.284 4.205 11.931 1.00 0.00 H new ATOM 0 HG22 THR A 89 -0.956 2.528 11.434 1.00 0.00 H new ATOM 0 HG23 THR A 89 -0.001 3.863 10.746 1.00 0.00 H new ATOM 1425 N THR A 90 -0.705 0.609 9.250 1.00 0.00 N ATOM 1426 CA THR A 90 -0.758 -0.802 9.611 1.00 0.00 C ATOM 1427 C THR A 90 -0.204 -1.032 11.012 1.00 0.00 C ATOM 1428 O THR A 90 0.698 -0.323 11.458 1.00 0.00 O ATOM 1429 CB THR A 90 0.031 -1.668 8.611 1.00 0.00 C ATOM 1430 OG1 THR A 90 1.432 -1.397 8.728 1.00 0.00 O ATOM 1431 CG2 THR A 90 -0.425 -1.398 7.185 1.00 0.00 C ATOM 0 H THR A 90 0.235 0.964 9.074 1.00 0.00 H new ATOM 0 HA THR A 90 -1.807 -1.095 9.585 1.00 0.00 H new ATOM 0 HB THR A 90 -0.157 -2.716 8.844 1.00 0.00 H new ATOM 0 HG1 THR A 90 1.597 -0.447 8.553 1.00 0.00 H new ATOM 0 HG21 THR A 90 0.146 -2.021 6.496 1.00 0.00 H new ATOM 0 HG22 THR A 90 -1.485 -1.632 7.092 1.00 0.00 H new ATOM 0 HG23 THR A 90 -0.263 -0.347 6.944 1.00 0.00 H new ATOM 1439 N SER A 91 -0.750 -2.028 11.703 1.00 0.00 N ATOM 1440 CA SER A 91 -0.312 -2.350 13.056 1.00 0.00 C ATOM 1441 C SER A 91 1.211 -2.323 13.155 1.00 0.00 C ATOM 1442 O SER A 91 1.770 -2.072 14.223 1.00 0.00 O ATOM 1443 CB SER A 91 -0.837 -3.725 13.472 1.00 0.00 C ATOM 1444 OG SER A 91 -0.890 -3.846 14.882 1.00 0.00 O ATOM 0 H SER A 91 -1.496 -2.626 11.348 1.00 0.00 H new ATOM 0 HA SER A 91 -0.716 -1.596 13.731 1.00 0.00 H new ATOM 0 HB2 SER A 91 -1.831 -3.880 13.053 1.00 0.00 H new ATOM 0 HB3 SER A 91 -0.193 -4.503 13.061 1.00 0.00 H new ATOM 0 HG SER A 91 -1.230 -4.733 15.122 1.00 0.00 H new ATOM 1450 N ASP A 92 1.874 -2.584 12.034 1.00 0.00 N ATOM 1451 CA ASP A 92 3.332 -2.590 11.993 1.00 0.00 C ATOM 1452 C ASP A 92 3.878 -1.169 11.883 1.00 0.00 C ATOM 1453 O ASP A 92 4.428 -0.629 12.843 1.00 0.00 O ATOM 1454 CB ASP A 92 3.827 -3.432 10.816 1.00 0.00 C ATOM 1455 CG ASP A 92 5.312 -3.258 10.563 1.00 0.00 C ATOM 1456 OD1 ASP A 92 6.096 -3.374 11.529 1.00 0.00 O ATOM 1457 OD2 ASP A 92 5.690 -3.007 9.400 1.00 0.00 O ATOM 0 H ASP A 92 1.426 -2.794 11.142 1.00 0.00 H new ATOM 0 HA ASP A 92 3.695 -3.029 12.922 1.00 0.00 H new ATOM 0 HB2 ASP A 92 3.615 -4.483 11.011 1.00 0.00 H new ATOM 0 HB3 ASP A 92 3.274 -3.157 9.918 1.00 0.00 H new ATOM 1462 N CYS A 93 3.723 -0.571 10.707 1.00 0.00 N ATOM 1463 CA CYS A 93 4.202 0.786 10.471 1.00 0.00 C ATOM 1464 C CYS A 93 3.236 1.556 9.576 1.00 0.00 C ATOM 1465 O CYS A 93 2.231 1.011 9.119 1.00 0.00 O ATOM 1466 CB CYS A 93 5.592 0.755 9.834 1.00 0.00 C ATOM 1467 SG CYS A 93 6.889 0.121 10.922 1.00 0.00 S ATOM 0 H CYS A 93 3.270 -1.004 9.903 1.00 0.00 H new ATOM 0 HA CYS A 93 4.262 1.296 11.433 1.00 0.00 H new ATOM 0 HB2 CYS A 93 5.554 0.140 8.935 1.00 0.00 H new ATOM 0 HB3 CYS A 93 5.858 1.764 9.519 1.00 0.00 H new ATOM 0 HG CYS A 93 6.359 -0.286 12.037 1.00 0.00 H new ATOM 1473 N GLU A 94 3.547 2.825 9.331 1.00 0.00 N ATOM 1474 CA GLU A 94 2.705 3.669 8.493 1.00 0.00 C ATOM 1475 C GLU A 94 3.378 3.949 7.152 1.00 0.00 C ATOM 1476 O GLU A 94 4.603 3.905 7.040 1.00 0.00 O ATOM 1477 CB GLU A 94 2.395 4.987 9.205 1.00 0.00 C ATOM 1478 CG GLU A 94 1.373 5.846 8.480 1.00 0.00 C ATOM 1479 CD GLU A 94 1.231 7.226 9.092 1.00 0.00 C ATOM 1480 OE1 GLU A 94 1.076 7.313 10.329 1.00 0.00 O ATOM 1481 OE2 GLU A 94 1.275 8.219 8.336 1.00 0.00 O ATOM 0 H GLU A 94 4.376 3.291 9.701 1.00 0.00 H new ATOM 0 HA GLU A 94 1.772 3.136 8.308 1.00 0.00 H new ATOM 0 HB2 GLU A 94 2.028 4.770 10.208 1.00 0.00 H new ATOM 0 HB3 GLU A 94 3.319 5.555 9.319 1.00 0.00 H new ATOM 0 HG2 GLU A 94 1.664 5.945 7.434 1.00 0.00 H new ATOM 0 HG3 GLU A 94 0.405 5.344 8.496 1.00 0.00 H new ATOM 1488 N CYS A 95 2.568 4.236 6.139 1.00 0.00 N ATOM 1489 CA CYS A 95 3.084 4.522 4.805 1.00 0.00 C ATOM 1490 C CYS A 95 2.012 5.171 3.935 1.00 0.00 C ATOM 1491 O CYS A 95 0.824 5.121 4.254 1.00 0.00 O ATOM 1492 CB CYS A 95 3.587 3.238 4.144 1.00 0.00 C ATOM 1493 SG CYS A 95 2.311 1.977 3.915 1.00 0.00 S ATOM 0 H CYS A 95 1.552 4.277 6.216 1.00 0.00 H new ATOM 0 HA CYS A 95 3.916 5.220 4.906 1.00 0.00 H new ATOM 0 HB2 CYS A 95 4.016 3.486 3.173 1.00 0.00 H new ATOM 0 HB3 CYS A 95 4.391 2.820 4.751 1.00 0.00 H new ATOM 0 HG CYS A 95 1.889 2.004 2.686 1.00 0.00 H new ATOM 1499 N LEU A 96 2.440 5.781 2.835 1.00 0.00 N ATOM 1500 CA LEU A 96 1.517 6.441 1.918 1.00 0.00 C ATOM 1501 C LEU A 96 1.354 5.635 0.634 1.00 0.00 C ATOM 1502 O LEU A 96 2.070 4.659 0.406 1.00 0.00 O ATOM 1503 CB LEU A 96 2.015 7.850 1.589 1.00 0.00 C ATOM 1504 CG LEU A 96 1.585 8.956 2.553 1.00 0.00 C ATOM 1505 CD1 LEU A 96 2.401 10.218 2.316 1.00 0.00 C ATOM 1506 CD2 LEU A 96 0.098 9.244 2.404 1.00 0.00 C ATOM 0 H LEU A 96 3.420 5.832 2.556 1.00 0.00 H new ATOM 0 HA LEU A 96 0.545 6.510 2.407 1.00 0.00 H new ATOM 0 HB2 LEU A 96 3.104 7.830 1.554 1.00 0.00 H new ATOM 0 HB3 LEU A 96 1.668 8.112 0.589 1.00 0.00 H new ATOM 0 HG LEU A 96 1.769 8.616 3.572 1.00 0.00 H new ATOM 0 HD11 LEU A 96 2.081 10.994 3.011 1.00 0.00 H new ATOM 0 HD12 LEU A 96 3.458 10.003 2.474 1.00 0.00 H new ATOM 0 HD13 LEU A 96 2.250 10.562 1.293 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -0.191 10.034 3.098 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -0.110 9.564 1.383 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -0.471 8.341 2.625 1.00 0.00 H new ATOM 1518 N PHE A 97 0.409 6.049 -0.203 1.00 0.00 N ATOM 1519 CA PHE A 97 0.152 5.366 -1.465 1.00 0.00 C ATOM 1520 C PHE A 97 -0.429 6.329 -2.496 1.00 0.00 C ATOM 1521 O PHE A 97 -1.333 7.107 -2.193 1.00 0.00 O ATOM 1522 CB PHE A 97 -0.807 4.193 -1.249 1.00 0.00 C ATOM 1523 CG PHE A 97 -0.187 3.040 -0.512 1.00 0.00 C ATOM 1524 CD1 PHE A 97 0.644 2.147 -1.169 1.00 0.00 C ATOM 1525 CD2 PHE A 97 -0.435 2.849 0.838 1.00 0.00 C ATOM 1526 CE1 PHE A 97 1.217 1.085 -0.494 1.00 0.00 C ATOM 1527 CE2 PHE A 97 0.135 1.790 1.518 1.00 0.00 C ATOM 1528 CZ PHE A 97 0.960 0.906 0.851 1.00 0.00 C ATOM 0 H PHE A 97 -0.192 6.855 -0.030 1.00 0.00 H new ATOM 0 HA PHE A 97 1.101 4.986 -1.843 1.00 0.00 H new ATOM 0 HB2 PHE A 97 -1.677 4.543 -0.694 1.00 0.00 H new ATOM 0 HB3 PHE A 97 -1.166 3.844 -2.217 1.00 0.00 H new ATOM 0 HD1 PHE A 97 0.847 2.282 -2.221 1.00 0.00 H new ATOM 0 HD2 PHE A 97 -1.081 3.536 1.364 1.00 0.00 H new ATOM 0 HE1 PHE A 97 1.864 0.397 -1.018 1.00 0.00 H new ATOM 0 HE2 PHE A 97 -0.065 1.654 2.571 1.00 0.00 H new ATOM 0 HZ PHE A 97 1.404 0.076 1.380 1.00 0.00 H new ATOM 1538 N GLN A 98 0.097 6.269 -3.716 1.00 0.00 N ATOM 1539 CA GLN A 98 -0.369 7.136 -4.791 1.00 0.00 C ATOM 1540 C GLN A 98 -0.877 6.315 -5.971 1.00 0.00 C ATOM 1541 O GLN A 98 -0.247 5.339 -6.378 1.00 0.00 O ATOM 1542 CB GLN A 98 0.757 8.065 -5.249 1.00 0.00 C ATOM 1543 CG GLN A 98 0.280 9.216 -6.120 1.00 0.00 C ATOM 1544 CD GLN A 98 1.334 9.677 -7.107 1.00 0.00 C ATOM 1545 OE1 GLN A 98 2.240 8.923 -7.463 1.00 0.00 O ATOM 1546 NE2 GLN A 98 1.222 10.922 -7.555 1.00 0.00 N ATOM 0 H GLN A 98 0.845 5.630 -3.984 1.00 0.00 H new ATOM 0 HA GLN A 98 -1.194 7.737 -4.408 1.00 0.00 H new ATOM 0 HB2 GLN A 98 1.262 8.469 -4.372 1.00 0.00 H new ATOM 0 HB3 GLN A 98 1.494 7.483 -5.802 1.00 0.00 H new ATOM 0 HG2 GLN A 98 -0.613 8.909 -6.665 1.00 0.00 H new ATOM 0 HG3 GLN A 98 -0.007 10.053 -5.484 1.00 0.00 H new ATOM 0 HE21 GLN A 98 0.455 11.513 -7.233 1.00 0.00 H new ATOM 0 HE22 GLN A 98 1.903 11.288 -8.221 1.00 0.00 H new ATOM 1555 N ALA A 99 -2.021 6.716 -6.517 1.00 0.00 N ATOM 1556 CA ALA A 99 -2.613 6.018 -7.651 1.00 0.00 C ATOM 1557 C ALA A 99 -2.415 6.804 -8.943 1.00 0.00 C ATOM 1558 O ALA A 99 -1.926 7.933 -8.924 1.00 0.00 O ATOM 1559 CB ALA A 99 -4.094 5.770 -7.403 1.00 0.00 C ATOM 0 H ALA A 99 -2.556 7.521 -6.192 1.00 0.00 H new ATOM 0 HA ALA A 99 -2.108 5.058 -7.760 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -4.524 5.248 -8.258 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -4.216 5.161 -6.507 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -4.605 6.723 -7.266 1.00 0.00 H new ATOM 1565 N GLU A 100 -2.796 6.198 -10.063 1.00 0.00 N ATOM 1566 CA GLU A 100 -2.659 6.841 -11.364 1.00 0.00 C ATOM 1567 C GLU A 100 -3.739 7.900 -11.565 1.00 0.00 C ATOM 1568 O GLU A 100 -3.472 8.984 -12.084 1.00 0.00 O ATOM 1569 CB GLU A 100 -2.735 5.801 -12.483 1.00 0.00 C ATOM 1570 CG GLU A 100 -2.307 4.408 -12.050 1.00 0.00 C ATOM 1571 CD GLU A 100 -1.960 3.513 -13.224 1.00 0.00 C ATOM 1572 OE1 GLU A 100 -2.751 3.464 -14.188 1.00 0.00 O ATOM 1573 OE2 GLU A 100 -0.895 2.862 -13.177 1.00 0.00 O ATOM 0 H GLU A 100 -3.202 5.263 -10.095 1.00 0.00 H new ATOM 0 HA GLU A 100 -1.685 7.329 -11.397 1.00 0.00 H new ATOM 0 HB2 GLU A 100 -3.757 5.758 -12.858 1.00 0.00 H new ATOM 0 HB3 GLU A 100 -2.105 6.124 -13.312 1.00 0.00 H new ATOM 0 HG2 GLU A 100 -1.443 4.486 -11.390 1.00 0.00 H new ATOM 0 HG3 GLU A 100 -3.109 3.949 -11.472 1.00 0.00 H new ATOM 1580 N ASP A 101 -4.959 7.577 -11.150 1.00 0.00 N ATOM 1581 CA ASP A 101 -6.081 8.500 -11.283 1.00 0.00 C ATOM 1582 C ASP A 101 -6.960 8.470 -10.037 1.00 0.00 C ATOM 1583 O ASP A 101 -7.023 7.461 -9.334 1.00 0.00 O ATOM 1584 CB ASP A 101 -6.913 8.150 -12.518 1.00 0.00 C ATOM 1585 CG ASP A 101 -7.585 9.365 -13.126 1.00 0.00 C ATOM 1586 OD1 ASP A 101 -6.963 10.449 -13.127 1.00 0.00 O ATOM 1587 OD2 ASP A 101 -8.732 9.234 -13.602 1.00 0.00 O ATOM 0 H ASP A 101 -5.196 6.684 -10.719 1.00 0.00 H new ATOM 0 HA ASP A 101 -5.680 9.507 -11.398 1.00 0.00 H new ATOM 0 HB2 ASP A 101 -6.271 7.682 -13.264 1.00 0.00 H new ATOM 0 HB3 ASP A 101 -7.672 7.417 -12.245 1.00 0.00 H new ATOM 1592 N ARG A 102 -7.636 9.582 -9.769 1.00 0.00 N ATOM 1593 CA ARG A 102 -8.510 9.683 -8.606 1.00 0.00 C ATOM 1594 C ARG A 102 -9.377 8.435 -8.467 1.00 0.00 C ATOM 1595 O ARG A 102 -9.245 7.679 -7.505 1.00 0.00 O ATOM 1596 CB ARG A 102 -9.397 10.925 -8.715 1.00 0.00 C ATOM 1597 CG ARG A 102 -10.103 11.284 -7.418 1.00 0.00 C ATOM 1598 CD ARG A 102 -11.067 12.445 -7.612 1.00 0.00 C ATOM 1599 NE ARG A 102 -10.412 13.737 -7.428 1.00 0.00 N ATOM 1600 CZ ARG A 102 -11.064 14.858 -7.142 1.00 0.00 C ATOM 1601 NH1 ARG A 102 -12.383 14.845 -7.006 1.00 0.00 N ATOM 1602 NH2 ARG A 102 -10.397 15.995 -6.990 1.00 0.00 N ATOM 0 H ARG A 102 -7.596 10.426 -10.341 1.00 0.00 H new ATOM 0 HA ARG A 102 -7.884 9.769 -7.718 1.00 0.00 H new ATOM 0 HB2 ARG A 102 -8.787 11.770 -9.033 1.00 0.00 H new ATOM 0 HB3 ARG A 102 -10.144 10.761 -9.492 1.00 0.00 H new ATOM 0 HG2 ARG A 102 -10.647 10.416 -7.046 1.00 0.00 H new ATOM 0 HG3 ARG A 102 -9.364 11.546 -6.660 1.00 0.00 H new ATOM 0 HD2 ARG A 102 -11.497 12.396 -8.612 1.00 0.00 H new ATOM 0 HD3 ARG A 102 -11.892 12.353 -6.906 1.00 0.00 H new ATOM 0 HE ARG A 102 -9.398 13.781 -7.524 1.00 0.00 H new ATOM 0 HH11 ARG A 102 -12.899 13.973 -7.121 1.00 0.00 H new ATOM 0 HH12 ARG A 102 -12.882 15.707 -6.786 1.00 0.00 H new ATOM 0 HH21 ARG A 102 -9.382 16.009 -7.093 1.00 0.00 H new ATOM 0 HH22 ARG A 102 -10.899 16.855 -6.770 1.00 0.00 H new ATOM 1616 N ASP A 103 -10.264 8.227 -9.434 1.00 0.00 N ATOM 1617 CA ASP A 103 -11.153 7.071 -9.420 1.00 0.00 C ATOM 1618 C ASP A 103 -10.410 5.820 -8.962 1.00 0.00 C ATOM 1619 O ASP A 103 -10.945 5.012 -8.203 1.00 0.00 O ATOM 1620 CB ASP A 103 -11.751 6.844 -10.809 1.00 0.00 C ATOM 1621 CG ASP A 103 -12.904 5.861 -10.790 1.00 0.00 C ATOM 1622 OD1 ASP A 103 -13.626 5.812 -9.771 1.00 0.00 O ATOM 1623 OD2 ASP A 103 -13.086 5.140 -11.793 1.00 0.00 O ATOM 0 H ASP A 103 -10.387 8.844 -10.237 1.00 0.00 H new ATOM 0 HA ASP A 103 -11.959 7.272 -8.714 1.00 0.00 H new ATOM 0 HB2 ASP A 103 -12.096 7.796 -11.213 1.00 0.00 H new ATOM 0 HB3 ASP A 103 -10.975 6.476 -11.480 1.00 0.00 H new ATOM 1628 N ASP A 104 -9.176 5.667 -9.428 1.00 0.00 N ATOM 1629 CA ASP A 104 -8.359 4.515 -9.066 1.00 0.00 C ATOM 1630 C ASP A 104 -8.058 4.510 -7.571 1.00 0.00 C ATOM 1631 O ASP A 104 -8.217 3.491 -6.899 1.00 0.00 O ATOM 1632 CB ASP A 104 -7.053 4.518 -9.862 1.00 0.00 C ATOM 1633 CG ASP A 104 -6.259 3.240 -9.677 1.00 0.00 C ATOM 1634 OD1 ASP A 104 -6.269 2.692 -8.555 1.00 0.00 O ATOM 1635 OD2 ASP A 104 -5.629 2.787 -10.655 1.00 0.00 O ATOM 0 H ASP A 104 -8.719 6.327 -10.058 1.00 0.00 H new ATOM 0 HA ASP A 104 -8.921 3.613 -9.308 1.00 0.00 H new ATOM 0 HB2 ASP A 104 -7.276 4.654 -10.920 1.00 0.00 H new ATOM 0 HB3 ASP A 104 -6.445 5.368 -9.553 1.00 0.00 H new ATOM 1640 N MET A 105 -7.622 5.655 -7.056 1.00 0.00 N ATOM 1641 CA MET A 105 -7.299 5.782 -5.640 1.00 0.00 C ATOM 1642 C MET A 105 -8.475 5.344 -4.773 1.00 0.00 C ATOM 1643 O MET A 105 -8.315 4.545 -3.849 1.00 0.00 O ATOM 1644 CB MET A 105 -6.916 7.226 -5.310 1.00 0.00 C ATOM 1645 CG MET A 105 -6.643 7.460 -3.833 1.00 0.00 C ATOM 1646 SD MET A 105 -8.121 7.942 -2.920 1.00 0.00 S ATOM 1647 CE MET A 105 -8.424 9.570 -3.605 1.00 0.00 C ATOM 0 H MET A 105 -7.484 6.508 -7.598 1.00 0.00 H new ATOM 0 HA MET A 105 -6.451 5.131 -5.426 1.00 0.00 H new ATOM 0 HB2 MET A 105 -6.029 7.498 -5.883 1.00 0.00 H new ATOM 0 HB3 MET A 105 -7.719 7.889 -5.632 1.00 0.00 H new ATOM 0 HG2 MET A 105 -6.231 6.551 -3.395 1.00 0.00 H new ATOM 0 HG3 MET A 105 -5.886 8.237 -3.726 1.00 0.00 H new ATOM 0 HE1 MET A 105 -9.330 9.987 -3.165 1.00 0.00 H new ATOM 0 HE2 MET A 105 -7.579 10.222 -3.382 1.00 0.00 H new ATOM 0 HE3 MET A 105 -8.548 9.493 -4.685 1.00 0.00 H new ATOM 1657 N LEU A 106 -9.656 5.872 -5.075 1.00 0.00 N ATOM 1658 CA LEU A 106 -10.859 5.536 -4.322 1.00 0.00 C ATOM 1659 C LEU A 106 -11.058 4.025 -4.260 1.00 0.00 C ATOM 1660 O LEU A 106 -11.370 3.473 -3.205 1.00 0.00 O ATOM 1661 CB LEU A 106 -12.083 6.197 -4.958 1.00 0.00 C ATOM 1662 CG LEU A 106 -12.388 7.624 -4.501 1.00 0.00 C ATOM 1663 CD1 LEU A 106 -12.690 7.655 -3.011 1.00 0.00 C ATOM 1664 CD2 LEU A 106 -11.226 8.550 -4.830 1.00 0.00 C ATOM 0 H LEU A 106 -9.806 6.534 -5.836 1.00 0.00 H new ATOM 0 HA LEU A 106 -10.738 5.910 -3.305 1.00 0.00 H new ATOM 0 HB2 LEU A 106 -11.946 6.204 -6.039 1.00 0.00 H new ATOM 0 HB3 LEU A 106 -12.955 5.576 -4.751 1.00 0.00 H new ATOM 0 HG LEU A 106 -13.270 7.975 -5.037 1.00 0.00 H new ATOM 0 HD11 LEU A 106 -12.905 8.679 -2.704 1.00 0.00 H new ATOM 0 HD12 LEU A 106 -13.554 7.025 -2.802 1.00 0.00 H new ATOM 0 HD13 LEU A 106 -11.828 7.284 -2.457 1.00 0.00 H new ATOM 0 HD21 LEU A 106 -11.461 9.561 -4.498 1.00 0.00 H new ATOM 0 HD22 LEU A 106 -10.327 8.201 -4.322 1.00 0.00 H new ATOM 0 HD23 LEU A 106 -11.056 8.552 -5.907 1.00 0.00 H new ATOM 1676 N ALA A 107 -10.873 3.362 -5.397 1.00 0.00 N ATOM 1677 CA ALA A 107 -11.028 1.914 -5.471 1.00 0.00 C ATOM 1678 C ALA A 107 -10.208 1.219 -4.389 1.00 0.00 C ATOM 1679 O ALA A 107 -10.761 0.641 -3.453 1.00 0.00 O ATOM 1680 CB ALA A 107 -10.625 1.410 -6.848 1.00 0.00 C ATOM 0 H ALA A 107 -10.616 3.804 -6.279 1.00 0.00 H new ATOM 0 HA ALA A 107 -12.078 1.676 -5.303 1.00 0.00 H new ATOM 0 HB1 ALA A 107 -10.746 0.327 -6.889 1.00 0.00 H new ATOM 0 HB2 ALA A 107 -11.257 1.874 -7.605 1.00 0.00 H new ATOM 0 HB3 ALA A 107 -9.583 1.666 -7.039 1.00 0.00 H new ATOM 1686 N TRP A 108 -8.888 1.277 -4.525 1.00 0.00 N ATOM 1687 CA TRP A 108 -7.992 0.651 -3.559 1.00 0.00 C ATOM 1688 C TRP A 108 -8.546 0.774 -2.144 1.00 0.00 C ATOM 1689 O TRP A 108 -8.748 -0.228 -1.458 1.00 0.00 O ATOM 1690 CB TRP A 108 -6.604 1.288 -3.634 1.00 0.00 C ATOM 1691 CG TRP A 108 -5.711 0.649 -4.655 1.00 0.00 C ATOM 1692 CD1 TRP A 108 -5.365 1.158 -5.874 1.00 0.00 C ATOM 1693 CD2 TRP A 108 -5.054 -0.618 -4.545 1.00 0.00 C ATOM 1694 NE1 TRP A 108 -4.532 0.283 -6.529 1.00 0.00 N ATOM 1695 CE2 TRP A 108 -4.325 -0.814 -5.735 1.00 0.00 C ATOM 1696 CE3 TRP A 108 -5.008 -1.606 -3.558 1.00 0.00 C ATOM 1697 CZ2 TRP A 108 -3.563 -1.957 -5.961 1.00 0.00 C ATOM 1698 CZ3 TRP A 108 -4.251 -2.740 -3.784 1.00 0.00 C ATOM 1699 CH2 TRP A 108 -3.536 -2.907 -4.977 1.00 0.00 C ATOM 0 H TRP A 108 -8.415 1.751 -5.294 1.00 0.00 H new ATOM 0 HA TRP A 108 -7.912 -0.407 -3.807 1.00 0.00 H new ATOM 0 HB2 TRP A 108 -6.710 2.347 -3.867 1.00 0.00 H new ATOM 0 HB3 TRP A 108 -6.129 1.223 -2.655 1.00 0.00 H new ATOM 0 HD1 TRP A 108 -5.697 2.108 -6.266 1.00 0.00 H new ATOM 0 HE1 TRP A 108 -4.132 0.427 -7.456 1.00 0.00 H new ATOM 0 HE3 TRP A 108 -5.555 -1.486 -2.634 1.00 0.00 H new ATOM 0 HZ2 TRP A 108 -3.013 -2.089 -6.881 1.00 0.00 H new ATOM 0 HZ3 TRP A 108 -4.210 -3.510 -3.028 1.00 0.00 H new ATOM 0 HH2 TRP A 108 -2.952 -3.804 -5.123 1.00 0.00 H new ATOM 1710 N ILE A 109 -8.789 2.007 -1.714 1.00 0.00 N ATOM 1711 CA ILE A 109 -9.321 2.259 -0.380 1.00 0.00 C ATOM 1712 C ILE A 109 -10.404 1.248 -0.020 1.00 0.00 C ATOM 1713 O ILE A 109 -10.293 0.530 0.974 1.00 0.00 O ATOM 1714 CB ILE A 109 -9.902 3.681 -0.265 1.00 0.00 C ATOM 1715 CG1 ILE A 109 -8.789 4.723 -0.393 1.00 0.00 C ATOM 1716 CG2 ILE A 109 -10.641 3.846 1.054 1.00 0.00 C ATOM 1717 CD1 ILE A 109 -9.300 6.126 -0.636 1.00 0.00 C ATOM 0 H ILE A 109 -8.626 2.847 -2.269 1.00 0.00 H new ATOM 0 HA ILE A 109 -8.488 2.159 0.316 1.00 0.00 H new ATOM 0 HB ILE A 109 -10.612 3.834 -1.078 1.00 0.00 H new ATOM 0 HG12 ILE A 109 -8.189 4.716 0.517 1.00 0.00 H new ATOM 0 HG13 ILE A 109 -8.128 4.439 -1.212 1.00 0.00 H new ATOM 0 HG21 ILE A 109 -11.046 4.856 1.120 1.00 0.00 H new ATOM 0 HG22 ILE A 109 -11.456 3.124 1.107 1.00 0.00 H new ATOM 0 HG23 ILE A 109 -9.952 3.676 1.881 1.00 0.00 H new ATOM 0 HD11 ILE A 109 -8.456 6.812 -0.716 1.00 0.00 H new ATOM 0 HD12 ILE A 109 -9.875 6.148 -1.562 1.00 0.00 H new ATOM 0 HD13 ILE A 109 -9.937 6.430 0.195 1.00 0.00 H new ATOM 1729 N LYS A 110 -11.451 1.196 -0.835 1.00 0.00 N ATOM 1730 CA LYS A 110 -12.555 0.271 -0.606 1.00 0.00 C ATOM 1731 C LYS A 110 -12.046 -1.161 -0.478 1.00 0.00 C ATOM 1732 O LYS A 110 -12.090 -1.753 0.601 1.00 0.00 O ATOM 1733 CB LYS A 110 -13.570 0.363 -1.748 1.00 0.00 C ATOM 1734 CG LYS A 110 -14.569 -0.781 -1.767 1.00 0.00 C ATOM 1735 CD LYS A 110 -15.823 -0.414 -2.543 1.00 0.00 C ATOM 1736 CE LYS A 110 -16.695 0.559 -1.764 1.00 0.00 C ATOM 1737 NZ LYS A 110 -17.926 0.926 -2.517 1.00 0.00 N ATOM 0 H LYS A 110 -11.559 1.784 -1.661 1.00 0.00 H new ATOM 0 HA LYS A 110 -13.043 0.550 0.328 1.00 0.00 H new ATOM 0 HB2 LYS A 110 -14.111 1.306 -1.667 1.00 0.00 H new ATOM 0 HB3 LYS A 110 -13.035 0.383 -2.698 1.00 0.00 H new ATOM 0 HG2 LYS A 110 -14.107 -1.661 -2.215 1.00 0.00 H new ATOM 0 HG3 LYS A 110 -14.838 -1.048 -0.745 1.00 0.00 H new ATOM 0 HD2 LYS A 110 -15.544 0.030 -3.498 1.00 0.00 H new ATOM 0 HD3 LYS A 110 -16.392 -1.317 -2.765 1.00 0.00 H new ATOM 0 HE2 LYS A 110 -16.973 0.113 -0.809 1.00 0.00 H new ATOM 0 HE3 LYS A 110 -16.124 1.460 -1.541 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 -18.493 1.590 -1.953 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 -17.662 1.375 -3.417 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 -18.484 0.070 -2.708 1.00 0.00 H new ATOM 1751 N THR A 111 -11.562 -1.714 -1.586 1.00 0.00 N ATOM 1752 CA THR A 111 -11.045 -3.076 -1.598 1.00 0.00 C ATOM 1753 C THR A 111 -10.293 -3.390 -0.309 1.00 0.00 C ATOM 1754 O THR A 111 -10.690 -4.272 0.453 1.00 0.00 O ATOM 1755 CB THR A 111 -10.107 -3.311 -2.797 1.00 0.00 C ATOM 1756 OG1 THR A 111 -10.793 -3.023 -4.020 1.00 0.00 O ATOM 1757 CG2 THR A 111 -9.603 -4.746 -2.817 1.00 0.00 C ATOM 0 H THR A 111 -11.518 -1.238 -2.487 1.00 0.00 H new ATOM 0 HA THR A 111 -11.905 -3.740 -1.684 1.00 0.00 H new ATOM 0 HB THR A 111 -9.251 -2.644 -2.696 1.00 0.00 H new ATOM 0 HG1 THR A 111 -10.431 -3.584 -4.738 1.00 0.00 H new ATOM 0 HG21 THR A 111 -8.943 -4.888 -3.672 1.00 0.00 H new ATOM 0 HG22 THR A 111 -9.055 -4.952 -1.898 1.00 0.00 H new ATOM 0 HG23 THR A 111 -10.450 -5.428 -2.895 1.00 0.00 H new ATOM 1765 N ILE A 112 -9.207 -2.662 -0.072 1.00 0.00 N ATOM 1766 CA ILE A 112 -8.401 -2.863 1.126 1.00 0.00 C ATOM 1767 C ILE A 112 -9.260 -2.795 2.384 1.00 0.00 C ATOM 1768 O ILE A 112 -9.301 -3.740 3.171 1.00 0.00 O ATOM 1769 CB ILE A 112 -7.276 -1.816 1.229 1.00 0.00 C ATOM 1770 CG1 ILE A 112 -6.422 -1.827 -0.041 1.00 0.00 C ATOM 1771 CG2 ILE A 112 -6.415 -2.083 2.455 1.00 0.00 C ATOM 1772 CD1 ILE A 112 -5.781 -0.492 -0.349 1.00 0.00 C ATOM 0 H ILE A 112 -8.865 -1.928 -0.693 1.00 0.00 H new ATOM 0 HA ILE A 112 -7.957 -3.855 1.045 1.00 0.00 H new ATOM 0 HB ILE A 112 -7.726 -0.829 1.333 1.00 0.00 H new ATOM 0 HG12 ILE A 112 -5.641 -2.581 0.062 1.00 0.00 H new ATOM 0 HG13 ILE A 112 -7.044 -2.126 -0.885 1.00 0.00 H new ATOM 0 HG21 ILE A 112 -5.624 -1.335 2.514 1.00 0.00 H new ATOM 0 HG22 ILE A 112 -7.032 -2.030 3.352 1.00 0.00 H new ATOM 0 HG23 ILE A 112 -5.971 -3.075 2.378 1.00 0.00 H new ATOM 0 HD11 ILE A 112 -5.191 -0.574 -1.262 1.00 0.00 H new ATOM 0 HD12 ILE A 112 -6.557 0.262 -0.485 1.00 0.00 H new ATOM 0 HD13 ILE A 112 -5.133 -0.201 0.477 1.00 0.00 H new ATOM 1784 N GLN A 113 -9.946 -1.671 2.566 1.00 0.00 N ATOM 1785 CA GLN A 113 -10.805 -1.480 3.728 1.00 0.00 C ATOM 1786 C GLN A 113 -11.692 -2.700 3.955 1.00 0.00 C ATOM 1787 O GLN A 113 -11.914 -3.114 5.092 1.00 0.00 O ATOM 1788 CB GLN A 113 -11.671 -0.231 3.549 1.00 0.00 C ATOM 1789 CG GLN A 113 -10.987 1.051 3.994 1.00 0.00 C ATOM 1790 CD GLN A 113 -11.970 2.103 4.469 1.00 0.00 C ATOM 1791 OE1 GLN A 113 -13.184 1.907 4.407 1.00 0.00 O ATOM 1792 NE2 GLN A 113 -11.450 3.227 4.947 1.00 0.00 N ATOM 0 H GLN A 113 -9.923 -0.879 1.923 1.00 0.00 H new ATOM 0 HA GLN A 113 -10.167 -1.349 4.602 1.00 0.00 H new ATOM 0 HB2 GLN A 113 -11.949 -0.139 2.499 1.00 0.00 H new ATOM 0 HB3 GLN A 113 -12.595 -0.355 4.114 1.00 0.00 H new ATOM 0 HG2 GLN A 113 -10.287 0.824 4.798 1.00 0.00 H new ATOM 0 HG3 GLN A 113 -10.403 1.453 3.166 1.00 0.00 H new ATOM 0 HE21 GLN A 113 -10.438 3.347 4.980 1.00 0.00 H new ATOM 0 HE22 GLN A 113 -12.063 3.971 5.281 1.00 0.00 H new ATOM 1801 N GLU A 114 -12.198 -3.269 2.865 1.00 0.00 N ATOM 1802 CA GLU A 114 -13.062 -4.441 2.947 1.00 0.00 C ATOM 1803 C GLU A 114 -12.315 -5.626 3.551 1.00 0.00 C ATOM 1804 O GLU A 114 -12.817 -6.294 4.455 1.00 0.00 O ATOM 1805 CB GLU A 114 -13.590 -4.810 1.559 1.00 0.00 C ATOM 1806 CG GLU A 114 -14.514 -3.763 0.960 1.00 0.00 C ATOM 1807 CD GLU A 114 -14.930 -4.096 -0.459 1.00 0.00 C ATOM 1808 OE1 GLU A 114 -14.040 -4.199 -1.329 1.00 0.00 O ATOM 1809 OE2 GLU A 114 -16.145 -4.253 -0.700 1.00 0.00 O ATOM 0 H GLU A 114 -12.025 -2.938 1.916 1.00 0.00 H new ATOM 0 HA GLU A 114 -13.904 -4.196 3.595 1.00 0.00 H new ATOM 0 HB2 GLU A 114 -12.745 -4.964 0.887 1.00 0.00 H new ATOM 0 HB3 GLU A 114 -14.123 -5.759 1.623 1.00 0.00 H new ATOM 0 HG2 GLU A 114 -15.404 -3.670 1.583 1.00 0.00 H new ATOM 0 HG3 GLU A 114 -14.014 -2.794 0.970 1.00 0.00 H new ATOM 1816 N SER A 115 -11.113 -5.882 3.045 1.00 0.00 N ATOM 1817 CA SER A 115 -10.298 -6.989 3.531 1.00 0.00 C ATOM 1818 C SER A 115 -9.928 -6.788 4.998 1.00 0.00 C ATOM 1819 O SER A 115 -10.078 -7.694 5.817 1.00 0.00 O ATOM 1820 CB SER A 115 -9.030 -7.125 2.687 1.00 0.00 C ATOM 1821 OG SER A 115 -9.311 -7.730 1.437 1.00 0.00 O ATOM 0 H SER A 115 -10.682 -5.337 2.298 1.00 0.00 H new ATOM 0 HA SER A 115 -10.883 -7.905 3.444 1.00 0.00 H new ATOM 0 HB2 SER A 115 -8.589 -6.141 2.527 1.00 0.00 H new ATOM 0 HB3 SER A 115 -8.293 -7.721 3.226 1.00 0.00 H new ATOM 0 HG SER A 115 -8.484 -7.804 0.916 1.00 0.00 H new ATOM 1827 N SER A 116 -9.442 -5.593 5.320 1.00 0.00 N ATOM 1828 CA SER A 116 -9.046 -5.273 6.687 1.00 0.00 C ATOM 1829 C SER A 116 -10.234 -4.748 7.488 1.00 0.00 C ATOM 1830 O SER A 116 -10.139 -3.721 8.158 1.00 0.00 O ATOM 1831 CB SER A 116 -7.921 -4.236 6.684 1.00 0.00 C ATOM 1832 OG SER A 116 -6.908 -4.586 5.756 1.00 0.00 O ATOM 0 H SER A 116 -9.313 -4.831 4.654 1.00 0.00 H new ATOM 0 HA SER A 116 -8.687 -6.188 7.159 1.00 0.00 H new ATOM 0 HB2 SER A 116 -8.326 -3.256 6.433 1.00 0.00 H new ATOM 0 HB3 SER A 116 -7.492 -4.157 7.683 1.00 0.00 H new ATOM 0 HG SER A 116 -6.337 -3.808 5.586 1.00 0.00 H new ATOM 1838 N ASN A 117 -11.352 -5.462 7.412 1.00 0.00 N ATOM 1839 CA ASN A 117 -12.560 -5.070 8.129 1.00 0.00 C ATOM 1840 C ASN A 117 -12.966 -6.140 9.138 1.00 0.00 C ATOM 1841 O ASN A 117 -13.103 -7.314 8.793 1.00 0.00 O ATOM 1842 CB ASN A 117 -13.705 -4.821 7.145 1.00 0.00 C ATOM 1843 CG ASN A 117 -15.004 -4.474 7.845 1.00 0.00 C ATOM 1844 OD1 ASN A 117 -15.085 -4.492 9.074 1.00 0.00 O ATOM 1845 ND2 ASN A 117 -16.030 -4.155 7.064 1.00 0.00 N ATOM 0 H ASN A 117 -11.447 -6.315 6.861 1.00 0.00 H new ATOM 0 HA ASN A 117 -12.347 -4.148 8.670 1.00 0.00 H new ATOM 0 HB2 ASN A 117 -13.431 -4.010 6.471 1.00 0.00 H new ATOM 0 HB3 ASN A 117 -13.852 -5.710 6.531 1.00 0.00 H new ATOM 0 HD21 ASN A 117 -16.930 -3.912 7.478 1.00 0.00 H new ATOM 0 HD22 ASN A 117 -15.918 -4.153 6.050 1.00 0.00 H new ATOM 1852 N LEU A 118 -13.156 -5.726 10.386 1.00 0.00 N ATOM 1853 CA LEU A 118 -13.547 -6.648 11.447 1.00 0.00 C ATOM 1854 C LEU A 118 -15.038 -6.962 11.374 1.00 0.00 C ATOM 1855 O LEU A 118 -15.858 -6.075 11.138 1.00 0.00 O ATOM 1856 CB LEU A 118 -13.205 -6.057 12.815 1.00 0.00 C ATOM 1857 CG LEU A 118 -11.749 -6.199 13.263 1.00 0.00 C ATOM 1858 CD1 LEU A 118 -11.421 -5.178 14.341 1.00 0.00 C ATOM 1859 CD2 LEU A 118 -11.479 -7.611 13.762 1.00 0.00 C ATOM 0 H LEU A 118 -13.046 -4.758 10.688 1.00 0.00 H new ATOM 0 HA LEU A 118 -12.992 -7.576 11.310 1.00 0.00 H new ATOM 0 HB2 LEU A 118 -13.459 -4.997 12.804 1.00 0.00 H new ATOM 0 HB3 LEU A 118 -13.842 -6.530 13.562 1.00 0.00 H new ATOM 0 HG LEU A 118 -11.105 -6.010 12.404 1.00 0.00 H new ATOM 0 HD11 LEU A 118 -10.381 -5.294 14.648 1.00 0.00 H new ATOM 0 HD12 LEU A 118 -11.574 -4.173 13.949 1.00 0.00 H new ATOM 0 HD13 LEU A 118 -12.072 -5.335 15.201 1.00 0.00 H new ATOM 0 HD21 LEU A 118 -10.439 -7.693 14.076 1.00 0.00 H new ATOM 0 HD22 LEU A 118 -12.132 -7.829 14.607 1.00 0.00 H new ATOM 0 HD23 LEU A 118 -11.673 -8.324 12.960 1.00 0.00 H new ATOM 1871 N ASN A 119 -15.382 -8.229 11.580 1.00 0.00 N ATOM 1872 CA ASN A 119 -16.775 -8.659 11.540 1.00 0.00 C ATOM 1873 C ASN A 119 -17.202 -9.246 12.881 1.00 0.00 C ATOM 1874 O ASN A 119 -16.367 -9.673 13.678 1.00 0.00 O ATOM 1875 CB ASN A 119 -16.980 -9.691 10.429 1.00 0.00 C ATOM 1876 CG ASN A 119 -16.286 -11.006 10.728 1.00 0.00 C ATOM 1877 OD1 ASN A 119 -16.218 -11.438 11.879 1.00 0.00 O ATOM 1878 ND2 ASN A 119 -15.765 -11.650 9.689 1.00 0.00 N ATOM 0 H ASN A 119 -14.716 -8.976 11.776 1.00 0.00 H new ATOM 0 HA ASN A 119 -17.393 -7.785 11.333 1.00 0.00 H new ATOM 0 HB2 ASN A 119 -18.047 -9.869 10.294 1.00 0.00 H new ATOM 0 HB3 ASN A 119 -16.602 -9.289 9.489 1.00 0.00 H new ATOM 0 HD21 ASN A 119 -15.285 -12.539 9.828 1.00 0.00 H new ATOM 0 HD22 ASN A 119 -15.845 -11.255 8.752 1.00 0.00 H new ATOM 1885 N SER A 120 -18.509 -9.266 13.123 1.00 0.00 N ATOM 1886 CA SER A 120 -19.048 -9.798 14.370 1.00 0.00 C ATOM 1887 C SER A 120 -18.399 -11.135 14.715 1.00 0.00 C ATOM 1888 O SER A 120 -17.832 -11.804 13.852 1.00 0.00 O ATOM 1889 CB SER A 120 -20.565 -9.967 14.263 1.00 0.00 C ATOM 1890 OG SER A 120 -21.184 -9.822 15.529 1.00 0.00 O ATOM 0 H SER A 120 -19.214 -8.920 12.472 1.00 0.00 H new ATOM 0 HA SER A 120 -18.824 -9.089 15.167 1.00 0.00 H new ATOM 0 HB2 SER A 120 -20.969 -9.228 13.571 1.00 0.00 H new ATOM 0 HB3 SER A 120 -20.797 -10.949 13.852 1.00 0.00 H new ATOM 0 HG SER A 120 -22.153 -9.933 15.434 1.00 0.00 H new ATOM 1896 N GLY A 121 -18.486 -11.517 15.985 1.00 0.00 N ATOM 1897 CA GLY A 121 -17.903 -12.772 16.424 1.00 0.00 C ATOM 1898 C GLY A 121 -18.267 -13.112 17.855 1.00 0.00 C ATOM 1899 O GLY A 121 -18.516 -12.232 18.681 1.00 0.00 O ATOM 0 H GLY A 121 -18.950 -10.980 16.718 1.00 0.00 H new ATOM 0 HA2 GLY A 121 -18.239 -13.574 15.767 1.00 0.00 H new ATOM 0 HA3 GLY A 121 -16.818 -12.717 16.332 1.00 0.00 H new ATOM 1903 N PRO A 122 -18.305 -14.416 18.167 1.00 0.00 N ATOM 1904 CA PRO A 122 -18.642 -14.900 19.509 1.00 0.00 C ATOM 1905 C PRO A 122 -17.553 -14.587 20.529 1.00 0.00 C ATOM 1906 O PRO A 122 -17.797 -14.599 21.735 1.00 0.00 O ATOM 1907 CB PRO A 122 -18.777 -16.412 19.317 1.00 0.00 C ATOM 1908 CG PRO A 122 -17.929 -16.721 18.132 1.00 0.00 C ATOM 1909 CD PRO A 122 -18.020 -15.518 17.233 1.00 0.00 C ATOM 0 HA PRO A 122 -19.541 -14.424 19.900 1.00 0.00 H new ATOM 0 HB2 PRO A 122 -18.437 -16.955 20.199 1.00 0.00 H new ATOM 0 HB3 PRO A 122 -19.815 -16.698 19.147 1.00 0.00 H new ATOM 0 HG2 PRO A 122 -16.897 -16.909 18.429 1.00 0.00 H new ATOM 0 HG3 PRO A 122 -18.283 -17.617 17.622 1.00 0.00 H new ATOM 0 HD2 PRO A 122 -17.091 -15.353 16.688 1.00 0.00 H new ATOM 0 HD3 PRO A 122 -18.810 -15.630 16.490 1.00 0.00 H new ATOM 1917 N SER A 123 -16.351 -14.306 20.037 1.00 0.00 N ATOM 1918 CA SER A 123 -15.223 -13.993 20.907 1.00 0.00 C ATOM 1919 C SER A 123 -14.558 -12.686 20.485 1.00 0.00 C ATOM 1920 O SER A 123 -14.426 -12.400 19.295 1.00 0.00 O ATOM 1921 CB SER A 123 -14.200 -15.130 20.880 1.00 0.00 C ATOM 1922 OG SER A 123 -14.548 -16.151 21.800 1.00 0.00 O ATOM 0 H SER A 123 -16.133 -14.289 19.041 1.00 0.00 H new ATOM 0 HA SER A 123 -15.601 -13.877 21.923 1.00 0.00 H new ATOM 0 HB2 SER A 123 -14.141 -15.547 19.875 1.00 0.00 H new ATOM 0 HB3 SER A 123 -13.211 -14.740 21.122 1.00 0.00 H new ATOM 0 HG SER A 123 -13.880 -16.867 21.762 1.00 0.00 H new ATOM 1928 N SER A 124 -14.142 -11.896 21.470 1.00 0.00 N ATOM 1929 CA SER A 124 -13.495 -10.618 21.203 1.00 0.00 C ATOM 1930 C SER A 124 -11.990 -10.712 21.434 1.00 0.00 C ATOM 1931 O SER A 124 -11.194 -10.454 20.531 1.00 0.00 O ATOM 1932 CB SER A 124 -14.091 -9.524 22.092 1.00 0.00 C ATOM 1933 OG SER A 124 -15.505 -9.505 21.997 1.00 0.00 O ATOM 0 H SER A 124 -14.242 -12.119 22.460 1.00 0.00 H new ATOM 0 HA SER A 124 -13.670 -10.362 20.158 1.00 0.00 H new ATOM 0 HB2 SER A 124 -13.795 -9.691 23.128 1.00 0.00 H new ATOM 0 HB3 SER A 124 -13.690 -8.554 21.798 1.00 0.00 H new ATOM 0 HG SER A 124 -15.862 -8.799 22.575 1.00 0.00 H new ATOM 1939 N GLY A 125 -11.606 -11.084 22.651 1.00 0.00 N ATOM 1940 CA GLY A 125 -10.198 -11.207 22.980 1.00 0.00 C ATOM 1941 C GLY A 125 -9.537 -12.376 22.277 1.00 0.00 C ATOM 1942 O GLY A 125 -8.311 -12.449 22.199 1.00 0.00 O ATOM 0 H GLY A 125 -12.245 -11.302 23.415 1.00 0.00 H new ATOM 0 HA2 GLY A 125 -9.683 -10.286 22.708 1.00 0.00 H new ATOM 0 HA3 GLY A 125 -10.089 -11.327 24.058 1.00 0.00 H new TER 1946 GLY A 125