USER MOD reduce.3.24.130724 H: found=0, std=0, add=973, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 972 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 6 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 105 GLN : amide:sc= -1.76 K(o=-1.8,f=0.71) USER MOD Set 2.1: A 100 THR OG1 : rot 67:sc= 1.04 USER MOD Set 2.2: A 103 ASN : amide:sc= 0.66 K(o=1.7,f=-1.4!) USER MOD Set 3.1: A 73 LYS NZ :NH3+ -173:sc= 1.93 (180deg=0.812) USER MOD Set 3.2: A 90 TYR OH : rot 180:sc= 1.04 USER MOD Set 4.1: A 75 GLN : amide:sc= -5.41! C(o=-8.1!,f=-10!) USER MOD Set 4.2: A 84 CYS SG : rot -161:sc= -2.7! USER MOD Set 5.1: A 62 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Set 5.2: A 63 GLN : amide:sc= 0 K(o=0,f=0.51) USER MOD Set 6.1: A 44 ASN : amide:sc= -0.764 K(o=0.21,f=-1.8!) USER MOD Set 6.2: A 55 SER OG : rot -132:sc= 0.973 USER MOD Set 7.1: A 27 GLN : amide:sc= 0.584 K(o=-5.1,f=-2.3) USER MOD Set 7.2: A 50 GLN : amide:sc= -5.73! C(o=-5.1!,f=-2.3!) USER MOD Set 8.1: A 25 GLN : amide:sc= -0.965 K(o=2.9,f=0.015!) USER MOD Set 8.2: A 26 GLN : amide:sc= 0.309 K(o=2.9,f=1.6) USER MOD Set 8.3: A 43 SER OG : rot -76:sc= 1.61 USER MOD Set 8.4: A 95 TYR OH : rot -91:sc= 1.66 USER MOD Set 8.5: A 111 SER OG : rot -160:sc= 0.255 USER MOD Set 9.1: A 2 SER OG : rot 12:sc= 0.0388 USER MOD Set 9.2: A 3 GLN : amide:sc= 0.955 K(o=0.99,f=-6.1!) USER MOD Single : A 1 MET CE :methyl 161:sc= -0.0769 (180deg=-0.491) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 THR OG1 : rot -160:sc= 0.015 USER MOD Single : A 8 CYS SG : rot -2:sc= 0.396 USER MOD Single : A 9 LYS NZ :NH3+ 161:sc= -0.0494 (180deg=-0.404) USER MOD Single : A 17 THR OG1 : rot 180:sc= -0.0887 USER MOD Single : A 20 CYS SG : rot 166:sc= -1.32 USER MOD Single : A 35 ASN : amide:sc= -1.49 K(o=-1.5,f=-3.1) USER MOD Single : A 38 GLN : amide:sc= -0.0587 K(o=-0.059,f=-0.85) USER MOD Single : A 40 TYR OH : rot -33:sc= 0.214 USER MOD Single : A 52 SER OG : rot 140:sc= -1.29! USER MOD Single : A 70 SER OG : rot 150:sc= 0.593 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 HIS : no HD1:sc= -0.634 X(o=-0.63,f=-0.44) USER MOD Single : A 80 TYR OH : rot -156:sc= -0.802 USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 97 THR OG1 : rot 180:sc= 0 USER MOD Single : A 98 GLN : amide:sc= 0 X(o=0,f=-0.09) USER MOD Single : A 101 ASN : amide:sc= 0.408 K(o=0.41,f=-4.8!) USER MOD Single : A 107 SER OG : rot 180:sc= 0 USER MOD Single : A 117 ASN : amide:sc= -2.86! K(o=-2.9!,f=-0.46) USER MOD Single : A 118 SER OG : rot 180:sc= 0 USER MOD Single : A 119 GLN : amide:sc= 1.17 K(o=1.2,f=-0.045) USER MOD Single : A 125 HIS : no HD1:sc= -0.0312 X(o=-0.031,f=0) USER MOD Single : A 126 HIS : no HD1:sc= -0.0864 X(o=-0.086,f=-0.0067) USER MOD Single : A 127 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 128 HIS : no HD1:sc= 0.673 K(o=0.67,f=-2.9!) USER MOD Single : A 129 HIS : no HD1:sc= -0.0209 X(o=-0.021,f=-0.0024) USER MOD Single : A 130 HIS : no HD1:sc= -0.181 X(o=-0.18,f=-0.23) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -22.825 -6.482 3.460 1.00 43.23 N ATOM 2 CA MET A 1 -21.387 -6.825 3.477 1.00 54.04 C ATOM 3 C MET A 1 -21.112 -7.985 2.522 1.00 24.04 C ATOM 4 O MET A 1 -21.224 -9.150 2.899 1.00 62.54 O ATOM 5 CB MET A 1 -20.938 -7.193 4.897 1.00 34.11 C ATOM 6 CG MET A 1 -19.451 -7.499 5.012 1.00 51.30 C ATOM 7 SD MET A 1 -18.958 -7.972 6.682 1.00 62.32 S ATOM 8 CE MET A 1 -19.839 -9.523 6.875 1.00 45.11 C ATOM 0 H1 MET A 1 -23.001 -5.692 4.113 1.00 43.23 H new ATOM 0 H2 MET A 1 -23.104 -6.205 2.497 1.00 43.23 H new ATOM 0 H3 MET A 1 -23.382 -7.308 3.758 1.00 43.23 H new ATOM 0 HA MET A 1 -20.820 -5.954 3.149 1.00 54.04 H new ATOM 0 HB2 MET A 1 -21.183 -6.371 5.570 1.00 34.11 H new ATOM 0 HB3 MET A 1 -21.505 -8.061 5.234 1.00 34.11 H new ATOM 0 HG2 MET A 1 -19.196 -8.303 4.322 1.00 51.30 H new ATOM 0 HG3 MET A 1 -18.880 -6.623 4.705 1.00 51.30 H new ATOM 0 HE1 MET A 1 -19.391 -10.098 7.686 1.00 45.11 H new ATOM 0 HE2 MET A 1 -20.884 -9.321 7.108 1.00 45.11 H new ATOM 0 HE3 MET A 1 -19.778 -10.094 5.949 1.00 45.11 H new ATOM 20 N SER A 2 -20.785 -7.658 1.279 1.00 42.41 N ATOM 21 CA SER A 2 -20.505 -8.675 0.274 1.00 52.51 C ATOM 22 C SER A 2 -19.286 -8.301 -0.565 1.00 74.41 C ATOM 23 O SER A 2 -18.517 -9.164 -0.978 1.00 13.03 O ATOM 24 CB SER A 2 -21.735 -8.874 -0.613 1.00 45.40 C ATOM 25 OG SER A 2 -22.272 -7.624 -1.019 1.00 44.41 O ATOM 0 H SER A 2 -20.707 -6.698 0.943 1.00 42.41 H new ATOM 0 HA SER A 2 -20.277 -9.612 0.781 1.00 52.51 H new ATOM 0 HB2 SER A 2 -21.465 -9.461 -1.491 1.00 45.40 H new ATOM 0 HB3 SER A 2 -22.492 -9.441 -0.071 1.00 45.40 H new ATOM 0 HG SER A 2 -21.634 -6.910 -0.810 1.00 44.41 H new ATOM 31 N GLN A 3 -19.101 -7.006 -0.794 1.00 24.33 N ATOM 32 CA GLN A 3 -17.988 -6.519 -1.604 1.00 32.12 C ATOM 33 C GLN A 3 -16.742 -6.322 -0.750 1.00 53.15 C ATOM 34 O GLN A 3 -15.801 -5.647 -1.161 1.00 4.25 O ATOM 35 CB GLN A 3 -18.343 -5.186 -2.278 1.00 43.40 C ATOM 36 CG GLN A 3 -19.708 -5.155 -2.953 1.00 73.25 C ATOM 37 CD GLN A 3 -20.819 -4.700 -2.021 1.00 2.14 C ATOM 38 OE1 GLN A 3 -20.759 -4.908 -0.806 1.00 21.11 O ATOM 39 NE2 GLN A 3 -21.836 -4.066 -2.583 1.00 61.21 N ATOM 0 H GLN A 3 -19.708 -6.272 -0.430 1.00 24.33 H new ATOM 0 HA GLN A 3 -17.789 -7.270 -2.369 1.00 32.12 H new ATOM 0 HB2 GLN A 3 -18.306 -4.395 -1.529 1.00 43.40 H new ATOM 0 HB3 GLN A 3 -17.580 -4.957 -3.022 1.00 43.40 H new ATOM 0 HG2 GLN A 3 -19.667 -4.488 -3.814 1.00 73.25 H new ATOM 0 HG3 GLN A 3 -19.943 -6.150 -3.332 1.00 73.25 H new ATOM 0 HE21 GLN A 3 -21.848 -3.914 -3.592 1.00 61.21 H new ATOM 0 HE22 GLN A 3 -22.608 -3.729 -2.008 1.00 61.21 H new ATOM 48 N TRP A 4 -16.736 -6.918 0.432 1.00 23.22 N ATOM 49 CA TRP A 4 -15.647 -6.726 1.378 1.00 63.20 C ATOM 50 C TRP A 4 -14.806 -7.989 1.500 1.00 4.51 C ATOM 51 O TRP A 4 -15.261 -8.996 2.041 1.00 70.03 O ATOM 52 CB TRP A 4 -16.201 -6.352 2.752 1.00 54.31 C ATOM 53 CG TRP A 4 -17.120 -5.171 2.729 1.00 62.00 C ATOM 54 CD1 TRP A 4 -18.462 -5.183 2.475 1.00 23.14 C ATOM 55 CD2 TRP A 4 -16.772 -3.806 2.976 1.00 32.41 C ATOM 56 NE1 TRP A 4 -18.966 -3.912 2.545 1.00 74.40 N ATOM 57 CE2 TRP A 4 -17.949 -3.047 2.854 1.00 14.15 C ATOM 58 CE3 TRP A 4 -15.577 -3.151 3.285 1.00 70.44 C ATOM 59 CZ2 TRP A 4 -17.969 -1.667 3.038 1.00 73.12 C ATOM 60 CZ3 TRP A 4 -15.599 -1.781 3.470 1.00 41.31 C ATOM 61 CH2 TRP A 4 -16.786 -1.053 3.344 1.00 75.32 C ATOM 0 H TRP A 4 -17.475 -7.540 0.760 1.00 23.22 H new ATOM 0 HA TRP A 4 -15.017 -5.918 1.007 1.00 63.20 H new ATOM 0 HB2 TRP A 4 -16.735 -7.208 3.164 1.00 54.31 H new ATOM 0 HB3 TRP A 4 -15.369 -6.141 3.424 1.00 54.31 H new ATOM 0 HD1 TRP A 4 -19.041 -6.067 2.251 1.00 23.14 H new ATOM 0 HE1 TRP A 4 -19.940 -3.651 2.392 1.00 74.40 H new ATOM 0 HE3 TRP A 4 -14.654 -3.704 3.378 1.00 70.44 H new ATOM 0 HZ2 TRP A 4 -18.885 -1.102 2.943 1.00 73.12 H new ATOM 0 HZ3 TRP A 4 -14.683 -1.264 3.716 1.00 41.31 H new ATOM 0 HH2 TRP A 4 -16.768 0.017 3.491 1.00 75.32 H new ATOM 72 N THR A 5 -13.591 -7.939 0.988 1.00 24.52 N ATOM 73 CA THR A 5 -12.680 -9.060 1.088 1.00 63.33 C ATOM 74 C THR A 5 -11.691 -8.856 2.232 1.00 12.10 C ATOM 75 O THR A 5 -11.232 -7.737 2.472 1.00 5.11 O ATOM 76 CB THR A 5 -11.916 -9.258 -0.230 1.00 61.34 C ATOM 77 OG1 THR A 5 -11.574 -7.985 -0.793 1.00 12.14 O ATOM 78 CG2 THR A 5 -12.743 -10.057 -1.225 1.00 14.35 C ATOM 0 H THR A 5 -13.212 -7.129 0.497 1.00 24.52 H new ATOM 0 HA THR A 5 -13.272 -9.953 1.291 1.00 63.33 H new ATOM 0 HB THR A 5 -11.005 -9.816 -0.015 1.00 61.34 H new ATOM 0 HG1 THR A 5 -11.383 -8.090 -1.748 1.00 12.14 H new ATOM 0 HG21 THR A 5 -12.179 -10.183 -2.149 1.00 14.35 H new ATOM 0 HG22 THR A 5 -12.973 -11.036 -0.804 1.00 14.35 H new ATOM 0 HG23 THR A 5 -13.671 -9.526 -1.436 1.00 14.35 H new ATOM 86 N THR A 6 -11.378 -9.928 2.941 1.00 34.22 N ATOM 87 CA THR A 6 -10.434 -9.861 4.044 1.00 44.31 C ATOM 88 C THR A 6 -8.998 -9.880 3.515 1.00 72.41 C ATOM 89 O THR A 6 -8.611 -10.797 2.793 1.00 61.12 O ATOM 90 CB THR A 6 -10.642 -11.043 5.015 1.00 52.33 C ATOM 91 OG1 THR A 6 -12.043 -11.209 5.289 1.00 65.12 O ATOM 92 CG2 THR A 6 -9.891 -10.814 6.321 1.00 31.21 C ATOM 0 H THR A 6 -11.765 -10.857 2.772 1.00 34.22 H new ATOM 0 HA THR A 6 -10.608 -8.929 4.582 1.00 44.31 H new ATOM 0 HB THR A 6 -10.251 -11.945 4.543 1.00 52.33 H new ATOM 0 HG1 THR A 6 -12.169 -11.961 5.904 1.00 65.12 H new ATOM 0 HG21 THR A 6 -10.054 -11.661 6.988 1.00 31.21 H new ATOM 0 HG22 THR A 6 -8.825 -10.714 6.115 1.00 31.21 H new ATOM 0 HG23 THR A 6 -10.256 -9.903 6.796 1.00 31.21 H new ATOM 100 N VAL A 7 -8.224 -8.853 3.861 1.00 33.13 N ATOM 101 CA VAL A 7 -6.825 -8.780 3.451 1.00 73.11 C ATOM 102 C VAL A 7 -6.013 -9.843 4.185 1.00 1.15 C ATOM 103 O VAL A 7 -5.738 -10.914 3.642 1.00 61.33 O ATOM 104 CB VAL A 7 -6.221 -7.383 3.725 1.00 45.12 C ATOM 105 CG1 VAL A 7 -4.782 -7.306 3.239 1.00 62.13 C ATOM 106 CG2 VAL A 7 -7.065 -6.300 3.076 1.00 61.22 C ATOM 0 H VAL A 7 -8.542 -8.063 4.422 1.00 33.13 H new ATOM 0 HA VAL A 7 -6.784 -8.959 2.377 1.00 73.11 H new ATOM 0 HB VAL A 7 -6.221 -7.220 4.803 1.00 45.12 H new ATOM 0 HG11 VAL A 7 -4.381 -6.313 3.444 1.00 62.13 H new ATOM 0 HG12 VAL A 7 -4.182 -8.054 3.758 1.00 62.13 H new ATOM 0 HG13 VAL A 7 -4.750 -7.496 2.166 1.00 62.13 H new ATOM 0 HG21 VAL A 7 -6.624 -5.324 3.280 1.00 61.22 H new ATOM 0 HG22 VAL A 7 -7.102 -6.464 1.999 1.00 61.22 H new ATOM 0 HG23 VAL A 7 -8.076 -6.334 3.483 1.00 61.22 H new ATOM 116 N CYS A 8 -5.640 -9.542 5.422 1.00 21.21 N ATOM 117 CA CYS A 8 -4.975 -10.510 6.278 1.00 53.43 C ATOM 118 C CYS A 8 -5.411 -10.305 7.726 1.00 53.42 C ATOM 119 O CYS A 8 -6.353 -10.948 8.191 1.00 34.14 O ATOM 120 CB CYS A 8 -3.450 -10.406 6.150 1.00 13.23 C ATOM 121 SG CYS A 8 -2.825 -10.676 4.474 1.00 60.33 S ATOM 0 H CYS A 8 -5.788 -8.630 5.855 1.00 21.21 H new ATOM 0 HA CYS A 8 -5.264 -11.511 5.959 1.00 53.43 H new ATOM 0 HB2 CYS A 8 -3.135 -9.419 6.488 1.00 13.23 H new ATOM 0 HB3 CYS A 8 -2.990 -11.134 6.819 1.00 13.23 H new ATOM 0 HG CYS A 8 -3.816 -10.956 3.681 1.00 60.33 H new ATOM 127 N LYS A 9 -4.760 -9.376 8.423 1.00 31.12 N ATOM 128 CA LYS A 9 -5.083 -9.089 9.820 1.00 41.40 C ATOM 129 C LYS A 9 -4.767 -7.642 10.170 1.00 1.03 C ATOM 130 O LYS A 9 -3.869 -7.033 9.594 1.00 31.12 O ATOM 131 CB LYS A 9 -4.308 -10.005 10.780 1.00 71.12 C ATOM 132 CG LYS A 9 -4.664 -11.477 10.670 1.00 35.42 C ATOM 133 CD LYS A 9 -4.002 -12.297 11.764 1.00 14.43 C ATOM 134 CE LYS A 9 -4.214 -13.787 11.544 1.00 25.22 C ATOM 135 NZ LYS A 9 -3.569 -14.251 10.289 1.00 70.34 N ATOM 0 H LYS A 9 -4.004 -8.807 8.042 1.00 31.12 H new ATOM 0 HA LYS A 9 -6.152 -9.270 9.935 1.00 41.40 H new ATOM 0 HB2 LYS A 9 -3.241 -9.887 10.592 1.00 71.12 H new ATOM 0 HB3 LYS A 9 -4.490 -9.676 11.803 1.00 71.12 H new ATOM 0 HG2 LYS A 9 -5.746 -11.595 10.730 1.00 35.42 H new ATOM 0 HG3 LYS A 9 -4.356 -11.854 9.695 1.00 35.42 H new ATOM 0 HD2 LYS A 9 -2.934 -12.079 11.789 1.00 14.43 H new ATOM 0 HD3 LYS A 9 -4.409 -12.009 12.734 1.00 14.43 H new ATOM 0 HE2 LYS A 9 -3.807 -14.342 12.390 1.00 25.22 H new ATOM 0 HE3 LYS A 9 -5.282 -14.002 11.506 1.00 25.22 H new ATOM 0 HZ1 LYS A 9 -3.448 -15.283 10.322 1.00 70.34 H new ATOM 0 HZ2 LYS A 9 -4.168 -13.999 9.477 1.00 70.34 H new ATOM 0 HZ3 LYS A 9 -2.639 -13.796 10.188 1.00 70.34 H new ATOM 149 N LEU A 10 -5.507 -7.106 11.129 1.00 33.30 N ATOM 150 CA LEU A 10 -5.244 -5.774 11.666 1.00 40.14 C ATOM 151 C LEU A 10 -4.176 -5.874 12.751 1.00 20.42 C ATOM 152 O LEU A 10 -3.582 -4.886 13.175 1.00 0.13 O ATOM 153 CB LEU A 10 -6.536 -5.181 12.249 1.00 52.24 C ATOM 154 CG LEU A 10 -6.411 -3.781 12.855 1.00 54.53 C ATOM 155 CD1 LEU A 10 -6.029 -2.767 11.790 1.00 65.52 C ATOM 156 CD2 LEU A 10 -7.711 -3.378 13.536 1.00 52.35 C ATOM 0 H LEU A 10 -6.304 -7.577 11.557 1.00 33.30 H new ATOM 0 HA LEU A 10 -4.890 -5.121 10.868 1.00 40.14 H new ATOM 0 HB2 LEU A 10 -7.287 -5.149 11.460 1.00 52.24 H new ATOM 0 HB3 LEU A 10 -6.909 -5.857 13.018 1.00 52.24 H new ATOM 0 HG LEU A 10 -5.620 -3.801 13.605 1.00 54.53 H new ATOM 0 HD11 LEU A 10 -5.945 -1.779 12.242 1.00 65.52 H new ATOM 0 HD12 LEU A 10 -5.072 -3.046 11.348 1.00 65.52 H new ATOM 0 HD13 LEU A 10 -6.795 -2.748 11.015 1.00 65.52 H new ATOM 0 HD21 LEU A 10 -7.605 -2.380 13.961 1.00 52.35 H new ATOM 0 HD22 LEU A 10 -8.519 -3.377 12.805 1.00 52.35 H new ATOM 0 HD23 LEU A 10 -7.941 -4.088 14.330 1.00 52.35 H new ATOM 168 N ASP A 11 -3.931 -7.102 13.169 1.00 22.04 N ATOM 169 CA ASP A 11 -2.998 -7.392 14.246 1.00 32.11 C ATOM 170 C ASP A 11 -1.592 -7.569 13.690 1.00 62.53 C ATOM 171 O ASP A 11 -0.603 -7.278 14.360 1.00 52.44 O ATOM 172 CB ASP A 11 -3.449 -8.663 14.976 1.00 75.34 C ATOM 173 CG ASP A 11 -2.483 -9.112 16.056 1.00 14.30 C ATOM 174 OD1 ASP A 11 -1.572 -9.904 15.749 1.00 43.20 O ATOM 175 OD2 ASP A 11 -2.640 -8.695 17.222 1.00 22.25 O ATOM 0 H ASP A 11 -4.374 -7.930 12.771 1.00 22.04 H new ATOM 0 HA ASP A 11 -2.985 -6.559 14.949 1.00 32.11 H new ATOM 0 HB2 ASP A 11 -4.427 -8.488 15.424 1.00 75.34 H new ATOM 0 HB3 ASP A 11 -3.570 -9.467 14.250 1.00 75.34 H new ATOM 180 N ASP A 12 -1.518 -8.013 12.441 1.00 13.43 N ATOM 181 CA ASP A 12 -0.240 -8.312 11.801 1.00 30.22 C ATOM 182 C ASP A 12 0.423 -7.043 11.265 1.00 52.22 C ATOM 183 O ASP A 12 1.632 -7.015 11.026 1.00 41.53 O ATOM 184 CB ASP A 12 -0.459 -9.320 10.665 1.00 73.13 C ATOM 185 CG ASP A 12 0.833 -9.751 9.992 1.00 32.10 C ATOM 186 OD1 ASP A 12 1.680 -10.381 10.660 1.00 53.54 O ATOM 187 OD2 ASP A 12 1.006 -9.473 8.786 1.00 22.34 O ATOM 0 H ASP A 12 -2.332 -8.175 11.848 1.00 13.43 H new ATOM 0 HA ASP A 12 0.428 -8.744 12.547 1.00 30.22 H new ATOM 0 HB2 ASP A 12 -0.966 -10.200 11.061 1.00 73.13 H new ATOM 0 HB3 ASP A 12 -1.121 -8.879 9.919 1.00 73.13 H new ATOM 192 N ILE A 13 -0.367 -5.988 11.099 1.00 34.25 N ATOM 193 CA ILE A 13 0.142 -4.737 10.542 1.00 45.32 C ATOM 194 C ILE A 13 0.962 -3.971 11.581 1.00 10.41 C ATOM 195 O ILE A 13 0.450 -3.580 12.629 1.00 42.33 O ATOM 196 CB ILE A 13 -1.002 -3.843 10.009 1.00 62.21 C ATOM 197 CG1 ILE A 13 -1.835 -4.604 8.972 1.00 24.52 C ATOM 198 CG2 ILE A 13 -0.437 -2.570 9.399 1.00 1.04 C ATOM 199 CD1 ILE A 13 -1.038 -5.058 7.766 1.00 0.34 C ATOM 0 H ILE A 13 -1.358 -5.972 11.340 1.00 34.25 H new ATOM 0 HA ILE A 13 0.788 -4.998 9.704 1.00 45.32 H new ATOM 0 HB ILE A 13 -1.648 -3.573 10.844 1.00 62.21 H new ATOM 0 HG12 ILE A 13 -2.285 -5.475 9.448 1.00 24.52 H new ATOM 0 HG13 ILE A 13 -2.653 -3.966 8.637 1.00 24.52 H new ATOM 0 HG21 ILE A 13 -1.254 -1.951 9.028 1.00 1.04 H new ATOM 0 HG22 ILE A 13 0.120 -2.020 10.157 1.00 1.04 H new ATOM 0 HG23 ILE A 13 0.228 -2.826 8.574 1.00 1.04 H new ATOM 0 HD11 ILE A 13 -1.693 -5.589 7.076 1.00 0.34 H new ATOM 0 HD12 ILE A 13 -0.610 -4.190 7.265 1.00 0.34 H new ATOM 0 HD13 ILE A 13 -0.236 -5.722 8.089 1.00 0.34 H new ATOM 211 N LEU A 14 2.235 -3.764 11.277 1.00 33.04 N ATOM 212 CA LEU A 14 3.162 -3.128 12.205 1.00 3.34 C ATOM 213 C LEU A 14 3.108 -1.598 12.101 1.00 43.32 C ATOM 214 O LEU A 14 2.587 -1.056 11.123 1.00 53.05 O ATOM 215 CB LEU A 14 4.579 -3.631 11.923 1.00 32.23 C ATOM 216 CG LEU A 14 4.802 -5.124 12.178 1.00 0.41 C ATOM 217 CD1 LEU A 14 6.238 -5.505 11.869 1.00 30.32 C ATOM 218 CD2 LEU A 14 4.458 -5.478 13.615 1.00 54.43 C ATOM 0 H LEU A 14 2.654 -4.030 10.386 1.00 33.04 H new ATOM 0 HA LEU A 14 2.870 -3.393 13.221 1.00 3.34 H new ATOM 0 HB2 LEU A 14 4.824 -3.416 10.883 1.00 32.23 H new ATOM 0 HB3 LEU A 14 5.278 -3.065 12.539 1.00 32.23 H new ATOM 0 HG LEU A 14 4.143 -5.688 11.518 1.00 0.41 H new ATOM 0 HD11 LEU A 14 6.380 -6.569 12.055 1.00 30.32 H new ATOM 0 HD12 LEU A 14 6.455 -5.288 10.823 1.00 30.32 H new ATOM 0 HD13 LEU A 14 6.912 -4.932 12.506 1.00 30.32 H new ATOM 0 HD21 LEU A 14 4.623 -6.543 13.777 1.00 54.43 H new ATOM 0 HD22 LEU A 14 5.092 -4.906 14.292 1.00 54.43 H new ATOM 0 HD23 LEU A 14 3.412 -5.239 13.808 1.00 54.43 H new ATOM 230 N PRO A 15 3.650 -0.889 13.114 1.00 62.44 N ATOM 231 CA PRO A 15 3.671 0.581 13.146 1.00 32.42 C ATOM 232 C PRO A 15 4.463 1.173 11.985 1.00 73.11 C ATOM 233 O PRO A 15 5.632 0.832 11.782 1.00 53.32 O ATOM 234 CB PRO A 15 4.368 0.916 14.471 1.00 32.34 C ATOM 235 CG PRO A 15 4.281 -0.326 15.288 1.00 53.40 C ATOM 236 CD PRO A 15 4.280 -1.464 14.313 1.00 3.43 C ATOM 0 HA PRO A 15 2.665 0.993 13.062 1.00 32.42 H new ATOM 0 HB2 PRO A 15 5.406 1.206 14.307 1.00 32.34 H new ATOM 0 HB3 PRO A 15 3.879 1.751 14.972 1.00 32.34 H new ATOM 0 HG2 PRO A 15 5.125 -0.401 15.974 1.00 53.40 H new ATOM 0 HG3 PRO A 15 3.375 -0.331 15.894 1.00 53.40 H new ATOM 0 HD2 PRO A 15 5.291 -1.816 14.106 1.00 3.43 H new ATOM 0 HD3 PRO A 15 3.717 -2.317 14.692 1.00 3.43 H new ATOM 244 N GLY A 16 3.821 2.055 11.231 1.00 33.14 N ATOM 245 CA GLY A 16 4.448 2.658 10.076 1.00 54.11 C ATOM 246 C GLY A 16 4.869 1.625 9.060 1.00 24.44 C ATOM 247 O GLY A 16 5.953 1.721 8.486 1.00 34.31 O ATOM 0 H GLY A 16 2.865 2.365 11.404 1.00 33.14 H new ATOM 0 HA2 GLY A 16 3.756 3.361 9.613 1.00 54.11 H new ATOM 0 HA3 GLY A 16 5.319 3.231 10.394 1.00 54.11 H new ATOM 251 N THR A 17 4.023 0.621 8.852 1.00 34.04 N ATOM 252 CA THR A 17 4.357 -0.470 7.947 1.00 74.13 C ATOM 253 C THR A 17 3.094 -1.020 7.286 1.00 30.43 C ATOM 254 O THR A 17 1.976 -0.617 7.623 1.00 65.45 O ATOM 255 CB THR A 17 5.087 -1.621 8.686 1.00 41.43 C ATOM 256 OG1 THR A 17 5.956 -1.094 9.696 1.00 53.21 O ATOM 257 CG2 THR A 17 5.914 -2.459 7.719 1.00 55.10 C ATOM 0 H THR A 17 3.108 0.541 9.295 1.00 34.04 H new ATOM 0 HA THR A 17 5.026 -0.066 7.187 1.00 74.13 H new ATOM 0 HB THR A 17 4.324 -2.251 9.143 1.00 41.43 H new ATOM 0 HG1 THR A 17 6.409 -1.832 10.155 1.00 53.21 H new ATOM 0 HG21 THR A 17 6.414 -3.258 8.266 1.00 55.10 H new ATOM 0 HG22 THR A 17 5.260 -2.892 6.962 1.00 55.10 H new ATOM 0 HG23 THR A 17 6.660 -1.828 7.237 1.00 55.10 H new ATOM 265 N GLY A 18 3.291 -1.939 6.353 1.00 1.11 N ATOM 266 CA GLY A 18 2.198 -2.566 5.647 1.00 63.15 C ATOM 267 C GLY A 18 2.702 -3.307 4.429 1.00 34.13 C ATOM 268 O GLY A 18 3.846 -3.103 4.015 1.00 32.34 O ATOM 0 H GLY A 18 4.214 -2.267 6.068 1.00 1.11 H new ATOM 0 HA2 GLY A 18 1.679 -3.258 6.311 1.00 63.15 H new ATOM 0 HA3 GLY A 18 1.473 -1.810 5.345 1.00 63.15 H new ATOM 272 N VAL A 19 1.875 -4.169 3.853 1.00 60.35 N ATOM 273 CA VAL A 19 2.298 -4.969 2.709 1.00 13.21 C ATOM 274 C VAL A 19 1.303 -4.880 1.564 1.00 40.20 C ATOM 275 O VAL A 19 0.176 -4.414 1.745 1.00 74.03 O ATOM 276 CB VAL A 19 2.498 -6.457 3.087 1.00 62.25 C ATOM 277 CG1 VAL A 19 3.647 -6.618 4.069 1.00 60.10 C ATOM 278 CG2 VAL A 19 1.215 -7.049 3.659 1.00 12.01 C ATOM 0 H VAL A 19 0.915 -4.332 4.155 1.00 60.35 H new ATOM 0 HA VAL A 19 3.253 -4.554 2.387 1.00 13.21 H new ATOM 0 HB VAL A 19 2.749 -7.003 2.178 1.00 62.25 H new ATOM 0 HG11 VAL A 19 3.767 -7.672 4.319 1.00 60.10 H new ATOM 0 HG12 VAL A 19 4.566 -6.245 3.618 1.00 60.10 H new ATOM 0 HG13 VAL A 19 3.433 -6.052 4.976 1.00 60.10 H new ATOM 0 HG21 VAL A 19 1.380 -8.095 3.917 1.00 12.01 H new ATOM 0 HG22 VAL A 19 0.926 -6.496 4.553 1.00 12.01 H new ATOM 0 HG23 VAL A 19 0.420 -6.980 2.917 1.00 12.01 H new ATOM 288 N CYS A 20 1.739 -5.303 0.381 1.00 12.33 N ATOM 289 CA CYS A 20 0.866 -5.376 -0.777 1.00 65.21 C ATOM 290 C CYS A 20 0.065 -6.673 -0.779 1.00 4.54 C ATOM 291 O CYS A 20 0.617 -7.764 -0.622 1.00 72.21 O ATOM 292 CB CYS A 20 1.692 -5.263 -2.061 1.00 55.00 C ATOM 293 SG CYS A 20 3.213 -6.245 -2.055 1.00 71.12 S ATOM 0 H CYS A 20 2.698 -5.601 0.203 1.00 12.33 H new ATOM 0 HA CYS A 20 0.162 -4.545 -0.728 1.00 65.21 H new ATOM 0 HB2 CYS A 20 1.076 -5.574 -2.905 1.00 55.00 H new ATOM 0 HB3 CYS A 20 1.949 -4.216 -2.223 1.00 55.00 H new ATOM 0 HG CYS A 20 3.682 -6.325 -3.265 1.00 71.12 H new ATOM 299 N ALA A 21 -1.239 -6.543 -0.944 1.00 42.54 N ATOM 300 CA ALA A 21 -2.122 -7.690 -1.031 1.00 52.41 C ATOM 301 C ALA A 21 -2.633 -7.843 -2.453 1.00 62.34 C ATOM 302 O ALA A 21 -3.190 -6.905 -3.030 1.00 74.34 O ATOM 303 CB ALA A 21 -3.283 -7.551 -0.059 1.00 2.33 C ATOM 0 H ALA A 21 -1.713 -5.643 -1.021 1.00 42.54 H new ATOM 0 HA ALA A 21 -1.560 -8.584 -0.760 1.00 52.41 H new ATOM 0 HB1 ALA A 21 -3.933 -8.422 -0.141 1.00 2.33 H new ATOM 0 HB2 ALA A 21 -2.899 -7.479 0.959 1.00 2.33 H new ATOM 0 HB3 ALA A 21 -3.851 -6.651 -0.297 1.00 2.33 H new ATOM 309 N LEU A 22 -2.434 -9.020 -3.017 1.00 74.35 N ATOM 310 CA LEU A 22 -2.832 -9.284 -4.388 1.00 12.22 C ATOM 311 C LEU A 22 -4.212 -9.931 -4.399 1.00 74.03 C ATOM 312 O LEU A 22 -4.335 -11.156 -4.342 1.00 62.34 O ATOM 313 CB LEU A 22 -1.802 -10.193 -5.073 1.00 4.20 C ATOM 314 CG LEU A 22 -1.612 -9.977 -6.582 1.00 3.44 C ATOM 315 CD1 LEU A 22 -2.898 -10.251 -7.346 1.00 14.34 C ATOM 316 CD2 LEU A 22 -1.112 -8.565 -6.856 1.00 61.52 C ATOM 0 H LEU A 22 -1.997 -9.812 -2.545 1.00 74.35 H new ATOM 0 HA LEU A 22 -2.877 -8.345 -4.940 1.00 12.22 H new ATOM 0 HB2 LEU A 22 -0.839 -10.052 -4.582 1.00 4.20 H new ATOM 0 HB3 LEU A 22 -2.095 -11.230 -4.908 1.00 4.20 H new ATOM 0 HG LEU A 22 -0.862 -10.686 -6.933 1.00 3.44 H new ATOM 0 HD11 LEU A 22 -2.730 -10.089 -8.411 1.00 14.34 H new ATOM 0 HD12 LEU A 22 -3.207 -11.283 -7.180 1.00 14.34 H new ATOM 0 HD13 LEU A 22 -3.680 -9.577 -6.996 1.00 14.34 H new ATOM 0 HD21 LEU A 22 -0.982 -8.427 -7.929 1.00 61.52 H new ATOM 0 HD22 LEU A 22 -1.838 -7.843 -6.482 1.00 61.52 H new ATOM 0 HD23 LEU A 22 -0.157 -8.413 -6.352 1.00 61.52 H new ATOM 328 N VAL A 23 -5.245 -9.107 -4.455 1.00 0.14 N ATOM 329 CA VAL A 23 -6.612 -9.600 -4.391 1.00 32.02 C ATOM 330 C VAL A 23 -7.321 -9.429 -5.728 1.00 11.41 C ATOM 331 O VAL A 23 -7.707 -8.316 -6.093 1.00 11.50 O ATOM 332 CB VAL A 23 -7.431 -8.884 -3.293 1.00 41.23 C ATOM 333 CG1 VAL A 23 -8.835 -9.467 -3.199 1.00 22.05 C ATOM 334 CG2 VAL A 23 -6.724 -8.970 -1.948 1.00 64.32 C ATOM 0 H VAL A 23 -5.164 -8.094 -4.545 1.00 0.14 H new ATOM 0 HA VAL A 23 -6.548 -10.660 -4.146 1.00 32.02 H new ATOM 0 HB VAL A 23 -7.516 -7.832 -3.567 1.00 41.23 H new ATOM 0 HG11 VAL A 23 -9.393 -8.948 -2.420 1.00 22.05 H new ATOM 0 HG12 VAL A 23 -9.345 -9.343 -4.154 1.00 22.05 H new ATOM 0 HG13 VAL A 23 -8.773 -10.528 -2.955 1.00 22.05 H new ATOM 0 HG21 VAL A 23 -7.319 -8.459 -1.191 1.00 64.32 H new ATOM 0 HG22 VAL A 23 -6.601 -10.016 -1.668 1.00 64.32 H new ATOM 0 HG23 VAL A 23 -5.745 -8.496 -2.021 1.00 64.32 H new ATOM 344 N GLU A 24 -7.470 -10.542 -6.445 1.00 65.12 N ATOM 345 CA GLU A 24 -8.194 -10.593 -7.719 1.00 42.21 C ATOM 346 C GLU A 24 -7.556 -9.699 -8.780 1.00 34.33 C ATOM 347 O GLU A 24 -6.767 -10.165 -9.602 1.00 64.13 O ATOM 348 CB GLU A 24 -9.666 -10.219 -7.512 1.00 23.14 C ATOM 349 CG GLU A 24 -10.391 -11.135 -6.539 1.00 35.54 C ATOM 350 CD GLU A 24 -10.458 -12.572 -7.019 1.00 63.24 C ATOM 351 OE1 GLU A 24 -9.436 -13.286 -6.924 1.00 63.05 O ATOM 352 OE2 GLU A 24 -11.536 -12.993 -7.485 1.00 32.45 O ATOM 0 H GLU A 24 -7.089 -11.443 -6.157 1.00 65.12 H new ATOM 0 HA GLU A 24 -8.136 -11.618 -8.086 1.00 42.21 H new ATOM 0 HB2 GLU A 24 -9.725 -9.194 -7.147 1.00 23.14 H new ATOM 0 HB3 GLU A 24 -10.178 -10.244 -8.474 1.00 23.14 H new ATOM 0 HG2 GLU A 24 -9.887 -11.103 -5.573 1.00 35.54 H new ATOM 0 HG3 GLU A 24 -11.403 -10.762 -6.382 1.00 35.54 H new ATOM 359 N GLN A 25 -7.889 -8.418 -8.756 1.00 44.35 N ATOM 360 CA GLN A 25 -7.365 -7.469 -9.729 1.00 23.10 C ATOM 361 C GLN A 25 -6.860 -6.205 -9.044 1.00 25.33 C ATOM 362 O GLN A 25 -6.416 -5.265 -9.705 1.00 63.20 O ATOM 363 CB GLN A 25 -8.429 -7.127 -10.788 1.00 60.42 C ATOM 364 CG GLN A 25 -9.876 -7.298 -10.324 1.00 65.33 C ATOM 365 CD GLN A 25 -10.290 -6.336 -9.224 1.00 21.22 C ATOM 366 OE1 GLN A 25 -9.796 -5.215 -9.137 1.00 75.23 O ATOM 367 NE2 GLN A 25 -11.211 -6.773 -8.375 1.00 62.12 N ATOM 0 H GLN A 25 -8.523 -8.009 -8.070 1.00 44.35 H new ATOM 0 HA GLN A 25 -6.521 -7.939 -10.233 1.00 23.10 H new ATOM 0 HB2 GLN A 25 -8.285 -6.095 -11.107 1.00 60.42 H new ATOM 0 HB3 GLN A 25 -8.266 -7.757 -11.663 1.00 60.42 H new ATOM 0 HG2 GLN A 25 -10.539 -7.164 -11.179 1.00 65.33 H new ATOM 0 HG3 GLN A 25 -10.015 -8.320 -9.970 1.00 65.33 H new ATOM 0 HE21 GLN A 25 -11.598 -7.711 -8.480 1.00 62.12 H new ATOM 0 HE22 GLN A 25 -11.533 -6.171 -7.617 1.00 62.12 H new ATOM 376 N GLN A 26 -6.903 -6.201 -7.718 1.00 73.12 N ATOM 377 CA GLN A 26 -6.505 -5.041 -6.938 1.00 55.50 C ATOM 378 C GLN A 26 -5.116 -5.224 -6.343 1.00 44.25 C ATOM 379 O GLN A 26 -4.825 -6.246 -5.719 1.00 23.40 O ATOM 380 CB GLN A 26 -7.509 -4.790 -5.812 1.00 40.13 C ATOM 381 CG GLN A 26 -8.763 -4.061 -6.255 1.00 31.14 C ATOM 382 CD GLN A 26 -8.467 -2.661 -6.759 1.00 11.02 C ATOM 383 OE1 GLN A 26 -7.500 -2.023 -6.334 1.00 72.04 O ATOM 384 NE2 GLN A 26 -9.303 -2.169 -7.654 1.00 64.34 N ATOM 0 H GLN A 26 -7.212 -6.996 -7.158 1.00 73.12 H new ATOM 0 HA GLN A 26 -6.485 -4.183 -7.610 1.00 55.50 H new ATOM 0 HB2 GLN A 26 -7.793 -5.746 -5.373 1.00 40.13 H new ATOM 0 HB3 GLN A 26 -7.022 -4.211 -5.027 1.00 40.13 H new ATOM 0 HG2 GLN A 26 -9.254 -4.632 -7.043 1.00 31.14 H new ATOM 0 HG3 GLN A 26 -9.462 -4.004 -5.420 1.00 31.14 H new ATOM 0 HE21 GLN A 26 -10.090 -2.730 -7.979 1.00 64.34 H new ATOM 0 HE22 GLN A 26 -9.162 -1.228 -8.021 1.00 64.34 H new ATOM 393 N GLN A 27 -4.261 -4.233 -6.552 1.00 42.24 N ATOM 394 CA GLN A 27 -2.961 -4.192 -5.903 1.00 0.35 C ATOM 395 C GLN A 27 -3.014 -3.196 -4.755 1.00 63.44 C ATOM 396 O GLN A 27 -2.737 -2.010 -4.930 1.00 61.21 O ATOM 397 CB GLN A 27 -1.861 -3.796 -6.891 1.00 74.13 C ATOM 398 CG GLN A 27 -1.712 -4.751 -8.064 1.00 22.22 C ATOM 399 CD GLN A 27 -0.514 -4.416 -8.930 1.00 14.10 C ATOM 400 OE1 GLN A 27 -0.112 -3.254 -9.037 1.00 20.33 O ATOM 401 NE2 GLN A 27 0.057 -5.426 -9.566 1.00 64.25 N ATOM 0 H GLN A 27 -4.447 -3.443 -7.170 1.00 42.24 H new ATOM 0 HA GLN A 27 -2.725 -5.186 -5.524 1.00 0.35 H new ATOM 0 HB2 GLN A 27 -2.072 -2.797 -7.273 1.00 74.13 H new ATOM 0 HB3 GLN A 27 -0.912 -3.739 -6.359 1.00 74.13 H new ATOM 0 HG2 GLN A 27 -1.613 -5.770 -7.690 1.00 22.22 H new ATOM 0 HG3 GLN A 27 -2.617 -4.721 -8.671 1.00 22.22 H new ATOM 0 HE21 GLN A 27 -0.306 -6.372 -9.450 1.00 64.25 H new ATOM 0 HE22 GLN A 27 0.860 -5.258 -10.172 1.00 64.25 H new ATOM 410 N ILE A 28 -3.410 -3.678 -3.592 1.00 61.22 N ATOM 411 CA ILE A 28 -3.647 -2.811 -2.449 1.00 33.23 C ATOM 412 C ILE A 28 -2.522 -2.936 -1.433 1.00 72.34 C ATOM 413 O ILE A 28 -2.073 -4.037 -1.127 1.00 63.21 O ATOM 414 CB ILE A 28 -4.992 -3.156 -1.772 1.00 11.34 C ATOM 415 CG1 ILE A 28 -6.130 -3.100 -2.796 1.00 33.31 C ATOM 416 CG2 ILE A 28 -5.273 -2.212 -0.610 1.00 72.53 C ATOM 417 CD1 ILE A 28 -7.477 -3.514 -2.241 1.00 31.12 C ATOM 0 H ILE A 28 -3.575 -4.668 -3.412 1.00 61.22 H new ATOM 0 HA ILE A 28 -3.683 -1.784 -2.813 1.00 33.23 H new ATOM 0 HB ILE A 28 -4.927 -4.169 -1.376 1.00 11.34 H new ATOM 0 HG12 ILE A 28 -6.205 -2.085 -3.186 1.00 33.31 H new ATOM 0 HG13 ILE A 28 -5.881 -3.747 -3.637 1.00 33.31 H new ATOM 0 HG21 ILE A 28 -6.225 -2.475 -0.150 1.00 72.53 H new ATOM 0 HG22 ILE A 28 -4.477 -2.298 0.129 1.00 72.53 H new ATOM 0 HG23 ILE A 28 -5.318 -1.187 -0.977 1.00 72.53 H new ATOM 0 HD11 ILE A 28 -8.230 -3.448 -3.026 1.00 31.12 H new ATOM 0 HD12 ILE A 28 -7.421 -4.540 -1.878 1.00 31.12 H new ATOM 0 HD13 ILE A 28 -7.751 -2.853 -1.419 1.00 31.12 H new ATOM 429 N ALA A 29 -2.064 -1.810 -0.920 1.00 2.42 N ATOM 430 CA ALA A 29 -1.030 -1.806 0.094 1.00 44.10 C ATOM 431 C ALA A 29 -1.557 -1.188 1.374 1.00 71.55 C ATOM 432 O ALA A 29 -2.253 -0.171 1.341 1.00 40.23 O ATOM 433 CB ALA A 29 0.197 -1.056 -0.388 1.00 41.24 C ATOM 0 H ALA A 29 -2.394 -0.884 -1.191 1.00 2.42 H new ATOM 0 HA ALA A 29 -0.740 -2.838 0.293 1.00 44.10 H new ATOM 0 HB1 ALA A 29 0.959 -1.067 0.391 1.00 41.24 H new ATOM 0 HB2 ALA A 29 0.588 -1.536 -1.285 1.00 41.24 H new ATOM 0 HB3 ALA A 29 -0.073 -0.025 -0.617 1.00 41.24 H new ATOM 439 N VAL A 30 -1.231 -1.804 2.494 1.00 61.43 N ATOM 440 CA VAL A 30 -1.687 -1.317 3.784 1.00 65.23 C ATOM 441 C VAL A 30 -0.612 -0.434 4.404 1.00 62.23 C ATOM 442 O VAL A 30 0.576 -0.648 4.176 1.00 51.14 O ATOM 443 CB VAL A 30 -2.021 -2.486 4.744 1.00 52.23 C ATOM 444 CG1 VAL A 30 -2.650 -1.978 6.037 1.00 31.02 C ATOM 445 CG2 VAL A 30 -2.936 -3.498 4.065 1.00 54.12 C ATOM 0 H VAL A 30 -0.652 -2.643 2.538 1.00 61.43 H new ATOM 0 HA VAL A 30 -2.598 -0.739 3.627 1.00 65.23 H new ATOM 0 HB VAL A 30 -1.085 -2.983 4.999 1.00 52.23 H new ATOM 0 HG11 VAL A 30 -2.873 -2.822 6.689 1.00 31.02 H new ATOM 0 HG12 VAL A 30 -1.956 -1.305 6.539 1.00 31.02 H new ATOM 0 HG13 VAL A 30 -3.572 -1.444 5.808 1.00 31.02 H new ATOM 0 HG21 VAL A 30 -3.157 -4.310 4.757 1.00 54.12 H new ATOM 0 HG22 VAL A 30 -3.864 -3.009 3.771 1.00 54.12 H new ATOM 0 HG23 VAL A 30 -2.441 -3.900 3.181 1.00 54.12 H new ATOM 455 N PHE A 31 -1.034 0.579 5.139 1.00 70.51 N ATOM 456 CA PHE A 31 -0.118 1.441 5.866 1.00 70.34 C ATOM 457 C PHE A 31 -0.711 1.787 7.225 1.00 64.33 C ATOM 458 O PHE A 31 -1.867 2.199 7.312 1.00 14.13 O ATOM 459 CB PHE A 31 0.164 2.715 5.062 1.00 54.11 C ATOM 460 CG PHE A 31 1.063 3.693 5.766 1.00 30.25 C ATOM 461 CD1 PHE A 31 2.342 3.326 6.156 1.00 41.11 C ATOM 462 CD2 PHE A 31 0.629 4.979 6.037 1.00 22.41 C ATOM 463 CE1 PHE A 31 3.168 4.226 6.803 1.00 30.33 C ATOM 464 CE2 PHE A 31 1.451 5.882 6.682 1.00 43.42 C ATOM 465 CZ PHE A 31 2.721 5.504 7.066 1.00 31.23 C ATOM 0 H PHE A 31 -2.017 0.827 5.249 1.00 70.51 H new ATOM 0 HA PHE A 31 0.825 0.916 6.015 1.00 70.34 H new ATOM 0 HB2 PHE A 31 0.618 2.439 4.110 1.00 54.11 H new ATOM 0 HB3 PHE A 31 -0.782 3.206 4.834 1.00 54.11 H new ATOM 0 HD1 PHE A 31 2.697 2.326 5.952 1.00 41.11 H new ATOM 0 HD2 PHE A 31 -0.365 5.280 5.740 1.00 22.41 H new ATOM 0 HE1 PHE A 31 4.162 3.929 7.102 1.00 30.33 H new ATOM 0 HE2 PHE A 31 1.100 6.883 6.886 1.00 43.42 H new ATOM 0 HZ PHE A 31 3.365 6.208 7.572 1.00 31.23 H new ATOM 475 N ARG A 32 0.069 1.599 8.282 1.00 12.43 N ATOM 476 CA ARG A 32 -0.405 1.898 9.628 1.00 54.12 C ATOM 477 C ARG A 32 0.338 3.096 10.211 1.00 14.44 C ATOM 478 O ARG A 32 1.379 2.935 10.831 1.00 73.44 O ATOM 479 CB ARG A 32 -0.248 0.681 10.542 1.00 60.01 C ATOM 480 CG ARG A 32 -1.139 0.729 11.771 1.00 54.32 C ATOM 481 CD ARG A 32 -1.041 -0.554 12.574 1.00 74.52 C ATOM 482 NE ARG A 32 -2.153 -0.694 13.510 1.00 33.31 N ATOM 483 CZ ARG A 32 -2.316 -1.730 14.331 1.00 20.12 C ATOM 484 NH1 ARG A 32 -1.417 -2.705 14.364 1.00 25.01 N ATOM 485 NH2 ARG A 32 -3.382 -1.786 15.120 1.00 23.03 N ATOM 0 H ARG A 32 1.024 1.244 8.235 1.00 12.43 H new ATOM 0 HA ARG A 32 -1.464 2.147 9.563 1.00 54.12 H new ATOM 0 HB2 ARG A 32 -0.474 -0.222 9.974 1.00 60.01 H new ATOM 0 HB3 ARG A 32 0.792 0.606 10.859 1.00 60.01 H new ATOM 0 HG2 ARG A 32 -0.854 1.575 12.397 1.00 54.32 H new ATOM 0 HG3 ARG A 32 -2.173 0.892 11.467 1.00 54.32 H new ATOM 0 HD2 ARG A 32 -1.027 -1.407 11.896 1.00 74.52 H new ATOM 0 HD3 ARG A 32 -0.100 -0.568 13.123 1.00 74.52 H new ATOM 0 HE ARG A 32 -2.850 0.050 13.537 1.00 33.31 H new ATOM 0 HH11 ARG A 32 -0.597 -2.663 13.759 1.00 25.01 H new ATOM 0 HH12 ARG A 32 -1.546 -3.496 14.994 1.00 25.01 H new ATOM 0 HH21 ARG A 32 -4.074 -1.037 15.097 1.00 23.03 H new ATOM 0 HH22 ARG A 32 -3.509 -2.578 15.750 1.00 23.03 H new ATOM 499 N PRO A 33 -0.190 4.317 10.020 1.00 70.02 N ATOM 500 CA PRO A 33 0.505 5.547 10.419 1.00 24.01 C ATOM 501 C PRO A 33 0.526 5.778 11.934 1.00 5.30 C ATOM 502 O PRO A 33 1.592 5.933 12.527 1.00 32.41 O ATOM 503 CB PRO A 33 -0.300 6.645 9.720 1.00 53.45 C ATOM 504 CG PRO A 33 -1.673 6.080 9.577 1.00 73.23 C ATOM 505 CD PRO A 33 -1.501 4.596 9.399 1.00 40.21 C ATOM 0 HA PRO A 33 1.558 5.515 10.141 1.00 24.01 H new ATOM 0 HB2 PRO A 33 -0.309 7.563 10.307 1.00 53.45 H new ATOM 0 HB3 PRO A 33 0.129 6.892 8.749 1.00 53.45 H new ATOM 0 HG2 PRO A 33 -2.277 6.299 10.457 1.00 73.23 H new ATOM 0 HG3 PRO A 33 -2.187 6.518 8.721 1.00 73.23 H new ATOM 0 HD2 PRO A 33 -2.301 4.039 9.886 1.00 40.21 H new ATOM 0 HD3 PRO A 33 -1.513 4.315 8.346 1.00 40.21 H new ATOM 513 N ARG A 34 -0.650 5.785 12.555 1.00 52.01 N ATOM 514 CA ARG A 34 -0.759 6.124 13.971 1.00 12.02 C ATOM 515 C ARG A 34 -0.617 4.879 14.842 1.00 3.32 C ATOM 516 O ARG A 34 -0.679 4.961 16.070 1.00 51.41 O ATOM 517 CB ARG A 34 -2.102 6.805 14.257 1.00 0.53 C ATOM 518 CG ARG A 34 -2.454 7.916 13.278 1.00 24.42 C ATOM 519 CD ARG A 34 -3.810 8.528 13.588 1.00 14.55 C ATOM 520 NE ARG A 34 -4.858 7.516 13.716 1.00 13.35 N ATOM 521 CZ ARG A 34 -6.160 7.767 13.588 1.00 11.02 C ATOM 522 NH1 ARG A 34 -6.585 8.974 13.230 1.00 63.41 N ATOM 523 NH2 ARG A 34 -7.041 6.801 13.807 1.00 35.34 N ATOM 0 H ARG A 34 -1.537 5.561 12.103 1.00 52.01 H new ATOM 0 HA ARG A 34 0.050 6.813 14.214 1.00 12.02 H new ATOM 0 HB2 ARG A 34 -2.891 6.053 14.236 1.00 0.53 H new ATOM 0 HB3 ARG A 34 -2.081 7.217 15.266 1.00 0.53 H new ATOM 0 HG2 ARG A 34 -1.688 8.690 13.315 1.00 24.42 H new ATOM 0 HG3 ARG A 34 -2.457 7.519 12.263 1.00 24.42 H new ATOM 0 HD2 ARG A 34 -3.745 9.100 14.513 1.00 14.55 H new ATOM 0 HD3 ARG A 34 -4.079 9.229 12.798 1.00 14.55 H new ATOM 0 HE ARG A 34 -4.574 6.557 13.916 1.00 13.35 H new ATOM 0 HH11 ARG A 34 -5.912 9.719 13.050 1.00 63.41 H new ATOM 0 HH12 ARG A 34 -7.584 9.155 13.135 1.00 63.41 H new ATOM 0 HH21 ARG A 34 -6.721 5.870 14.072 1.00 35.34 H new ATOM 0 HH22 ARG A 34 -8.039 6.989 13.710 1.00 35.34 H new ATOM 537 N ASN A 35 -0.427 3.729 14.189 1.00 70.51 N ATOM 538 CA ASN A 35 -0.278 2.440 14.878 1.00 0.21 C ATOM 539 C ASN A 35 -1.545 2.093 15.669 1.00 63.34 C ATOM 540 O ASN A 35 -1.503 1.382 16.672 1.00 21.32 O ATOM 541 CB ASN A 35 0.949 2.465 15.801 1.00 3.50 C ATOM 542 CG ASN A 35 1.288 1.097 16.371 1.00 51.02 C ATOM 543 OD1 ASN A 35 1.055 0.072 15.733 1.00 15.33 O ATOM 544 ND2 ASN A 35 1.843 1.076 17.574 1.00 60.51 N ATOM 0 H ASN A 35 -0.372 3.663 13.173 1.00 70.51 H new ATOM 0 HA ASN A 35 -0.129 1.665 14.126 1.00 0.21 H new ATOM 0 HB2 ASN A 35 1.807 2.845 15.246 1.00 3.50 H new ATOM 0 HB3 ASN A 35 0.767 3.160 16.621 1.00 3.50 H new ATOM 0 HD21 ASN A 35 2.094 0.186 18.004 1.00 60.51 H new ATOM 0 HD22 ASN A 35 2.019 1.950 18.070 1.00 60.51 H new ATOM 551 N ASP A 36 -2.679 2.589 15.204 1.00 64.42 N ATOM 552 CA ASP A 36 -3.951 2.317 15.857 1.00 12.42 C ATOM 553 C ASP A 36 -4.823 1.436 14.971 1.00 11.22 C ATOM 554 O ASP A 36 -4.340 0.853 14.000 1.00 41.22 O ATOM 555 CB ASP A 36 -4.677 3.626 16.183 1.00 30.05 C ATOM 556 CG ASP A 36 -5.190 4.330 14.944 1.00 64.14 C ATOM 557 OD1 ASP A 36 -4.373 4.900 14.197 1.00 2.01 O ATOM 558 OD2 ASP A 36 -6.416 4.319 14.718 1.00 23.15 O ATOM 0 H ASP A 36 -2.746 3.182 14.377 1.00 64.42 H new ATOM 0 HA ASP A 36 -3.754 1.788 16.790 1.00 12.42 H new ATOM 0 HB2 ASP A 36 -5.513 3.417 16.851 1.00 30.05 H new ATOM 0 HB3 ASP A 36 -3.999 4.290 16.719 1.00 30.05 H new ATOM 563 N GLU A 37 -6.100 1.337 15.317 1.00 51.32 N ATOM 564 CA GLU A 37 -7.052 0.507 14.583 1.00 71.23 C ATOM 565 C GLU A 37 -7.244 1.003 13.149 1.00 63.23 C ATOM 566 O GLU A 37 -7.562 0.221 12.252 1.00 64.23 O ATOM 567 CB GLU A 37 -8.407 0.482 15.301 1.00 10.02 C ATOM 568 CG GLU A 37 -8.402 -0.253 16.638 1.00 43.55 C ATOM 569 CD GLU A 37 -7.517 0.397 17.683 1.00 1.40 C ATOM 570 OE1 GLU A 37 -7.482 1.646 17.750 1.00 14.02 O ATOM 571 OE2 GLU A 37 -6.868 -0.335 18.456 1.00 3.44 O ATOM 0 H GLU A 37 -6.507 1.828 16.113 1.00 51.32 H new ATOM 0 HA GLU A 37 -6.641 -0.502 14.545 1.00 71.23 H new ATOM 0 HB2 GLU A 37 -8.735 1.508 15.466 1.00 10.02 H new ATOM 0 HB3 GLU A 37 -9.142 0.014 14.646 1.00 10.02 H new ATOM 0 HG2 GLU A 37 -9.422 -0.305 17.019 1.00 43.55 H new ATOM 0 HG3 GLU A 37 -8.069 -1.279 16.478 1.00 43.55 H new ATOM 578 N GLN A 38 -7.061 2.297 12.933 1.00 2.54 N ATOM 579 CA GLN A 38 -7.224 2.873 11.607 1.00 10.33 C ATOM 580 C GLN A 38 -5.981 2.664 10.753 1.00 21.35 C ATOM 581 O GLN A 38 -4.954 3.321 10.942 1.00 22.40 O ATOM 582 CB GLN A 38 -7.558 4.365 11.687 1.00 25.54 C ATOM 583 CG GLN A 38 -9.040 4.671 11.868 1.00 25.13 C ATOM 584 CD GLN A 38 -9.607 4.180 13.187 1.00 70.12 C ATOM 585 OE1 GLN A 38 -9.591 4.895 14.187 1.00 34.13 O ATOM 586 NE2 GLN A 38 -10.133 2.964 13.189 1.00 63.30 N ATOM 0 H GLN A 38 -6.800 2.967 13.657 1.00 2.54 H new ATOM 0 HA GLN A 38 -8.058 2.355 11.134 1.00 10.33 H new ATOM 0 HB2 GLN A 38 -7.005 4.804 12.517 1.00 25.54 H new ATOM 0 HB3 GLN A 38 -7.208 4.852 10.777 1.00 25.54 H new ATOM 0 HG2 GLN A 38 -9.191 5.748 11.796 1.00 25.13 H new ATOM 0 HG3 GLN A 38 -9.599 4.215 11.050 1.00 25.13 H new ATOM 0 HE21 GLN A 38 -10.125 2.404 12.337 1.00 63.30 H new ATOM 0 HE22 GLN A 38 -10.546 2.588 14.043 1.00 63.30 H new ATOM 595 N VAL A 39 -6.078 1.724 9.829 1.00 40.53 N ATOM 596 CA VAL A 39 -5.034 1.508 8.847 1.00 23.04 C ATOM 597 C VAL A 39 -5.487 2.040 7.495 1.00 41.34 C ATOM 598 O VAL A 39 -6.682 2.194 7.252 1.00 43.24 O ATOM 599 CB VAL A 39 -4.662 0.015 8.709 1.00 73.12 C ATOM 600 CG1 VAL A 39 -4.041 -0.504 9.996 1.00 4.33 C ATOM 601 CG2 VAL A 39 -5.880 -0.815 8.327 1.00 35.44 C ATOM 0 H VAL A 39 -6.876 1.095 9.740 1.00 40.53 H new ATOM 0 HA VAL A 39 -4.147 2.042 9.189 1.00 23.04 H new ATOM 0 HB VAL A 39 -3.925 -0.078 7.911 1.00 73.12 H new ATOM 0 HG11 VAL A 39 -3.786 -1.557 9.878 1.00 4.33 H new ATOM 0 HG12 VAL A 39 -3.139 0.065 10.220 1.00 4.33 H new ATOM 0 HG13 VAL A 39 -4.752 -0.392 10.814 1.00 4.33 H new ATOM 0 HG21 VAL A 39 -5.592 -1.862 8.236 1.00 35.44 H new ATOM 0 HG22 VAL A 39 -6.645 -0.714 9.097 1.00 35.44 H new ATOM 0 HG23 VAL A 39 -6.276 -0.463 7.374 1.00 35.44 H new ATOM 611 N TYR A 40 -4.539 2.322 6.621 1.00 12.43 N ATOM 612 CA TYR A 40 -4.857 2.848 5.311 1.00 62.12 C ATOM 613 C TYR A 40 -4.498 1.841 4.241 1.00 72.12 C ATOM 614 O TYR A 40 -3.341 1.732 3.835 1.00 40.23 O ATOM 615 CB TYR A 40 -4.133 4.170 5.058 1.00 22.21 C ATOM 616 CG TYR A 40 -4.719 5.336 5.825 1.00 70.22 C ATOM 617 CD1 TYR A 40 -5.767 6.082 5.295 1.00 72.22 C ATOM 618 CD2 TYR A 40 -4.226 5.692 7.074 1.00 44.41 C ATOM 619 CE1 TYR A 40 -6.305 7.148 5.992 1.00 30.43 C ATOM 620 CE2 TYR A 40 -4.761 6.756 7.776 1.00 21.34 C ATOM 621 CZ TYR A 40 -5.799 7.480 7.230 1.00 61.04 C ATOM 622 OH TYR A 40 -6.333 8.541 7.925 1.00 22.44 O ATOM 0 H TYR A 40 -3.542 2.195 6.797 1.00 12.43 H new ATOM 0 HA TYR A 40 -5.930 3.037 5.274 1.00 62.12 H new ATOM 0 HB2 TYR A 40 -3.083 4.058 5.329 1.00 22.21 H new ATOM 0 HB3 TYR A 40 -4.165 4.394 3.992 1.00 22.21 H new ATOM 0 HD1 TYR A 40 -6.166 5.825 4.325 1.00 72.22 H new ATOM 0 HD2 TYR A 40 -3.411 5.128 7.504 1.00 44.41 H new ATOM 0 HE1 TYR A 40 -7.118 7.718 5.568 1.00 30.43 H new ATOM 0 HE2 TYR A 40 -4.368 7.019 8.747 1.00 21.34 H new ATOM 0 HH TYR A 40 -6.628 9.230 7.294 1.00 22.44 H new ATOM 632 N ALA A 41 -5.485 1.077 3.820 1.00 1.42 N ATOM 633 CA ALA A 41 -5.293 0.137 2.741 1.00 64.11 C ATOM 634 C ALA A 41 -5.689 0.790 1.424 1.00 41.44 C ATOM 635 O ALA A 41 -6.862 0.800 1.049 1.00 61.20 O ATOM 636 CB ALA A 41 -6.088 -1.139 2.985 1.00 64.54 C ATOM 0 H ALA A 41 -6.427 1.090 4.210 1.00 1.42 H new ATOM 0 HA ALA A 41 -4.240 -0.142 2.692 1.00 64.11 H new ATOM 0 HB1 ALA A 41 -5.927 -1.831 2.159 1.00 64.54 H new ATOM 0 HB2 ALA A 41 -5.758 -1.601 3.915 1.00 64.54 H new ATOM 0 HB3 ALA A 41 -7.149 -0.899 3.056 1.00 64.54 H new ATOM 642 N ILE A 42 -4.711 1.365 0.745 1.00 2.34 N ATOM 643 CA ILE A 42 -4.967 2.136 -0.464 1.00 43.41 C ATOM 644 C ILE A 42 -4.112 1.626 -1.619 1.00 54.21 C ATOM 645 O ILE A 42 -3.436 0.603 -1.496 1.00 22.21 O ATOM 646 CB ILE A 42 -4.682 3.639 -0.234 1.00 15.24 C ATOM 647 CG1 ILE A 42 -3.231 3.851 0.209 1.00 74.13 C ATOM 648 CG2 ILE A 42 -5.646 4.211 0.800 1.00 65.11 C ATOM 649 CD1 ILE A 42 -2.847 5.309 0.358 1.00 61.22 C ATOM 0 H ILE A 42 -3.727 1.313 1.010 1.00 2.34 H new ATOM 0 HA ILE A 42 -6.020 2.013 -0.717 1.00 43.41 H new ATOM 0 HB ILE A 42 -4.833 4.166 -1.176 1.00 15.24 H new ATOM 0 HG12 ILE A 42 -3.073 3.344 1.161 1.00 74.13 H new ATOM 0 HG13 ILE A 42 -2.567 3.382 -0.516 1.00 74.13 H new ATOM 0 HG21 ILE A 42 -5.432 5.269 0.950 1.00 65.11 H new ATOM 0 HG22 ILE A 42 -6.670 4.094 0.446 1.00 65.11 H new ATOM 0 HG23 ILE A 42 -5.525 3.679 1.744 1.00 65.11 H new ATOM 0 HD11 ILE A 42 -1.806 5.381 0.674 1.00 61.22 H new ATOM 0 HD12 ILE A 42 -2.972 5.818 -0.598 1.00 61.22 H new ATOM 0 HD13 ILE A 42 -3.486 5.779 1.105 1.00 61.22 H new ATOM 661 N SER A 43 -4.146 2.342 -2.735 1.00 33.45 N ATOM 662 CA SER A 43 -3.337 2.001 -3.903 1.00 15.11 C ATOM 663 C SER A 43 -1.878 2.417 -3.679 1.00 43.44 C ATOM 664 O SER A 43 -1.246 3.004 -4.554 1.00 11.12 O ATOM 665 CB SER A 43 -3.904 2.716 -5.130 1.00 53.32 C ATOM 666 OG SER A 43 -5.310 2.876 -5.018 1.00 12.43 O ATOM 0 H SER A 43 -4.729 3.170 -2.858 1.00 33.45 H new ATOM 0 HA SER A 43 -3.367 0.923 -4.062 1.00 15.11 H new ATOM 0 HB2 SER A 43 -3.430 3.692 -5.239 1.00 53.32 H new ATOM 0 HB3 SER A 43 -3.669 2.146 -6.029 1.00 53.32 H new ATOM 0 HG SER A 43 -5.752 2.021 -5.200 1.00 12.43 H new ATOM 672 N ASN A 44 -1.342 2.065 -2.517 1.00 3.45 N ATOM 673 CA ASN A 44 -0.035 2.549 -2.069 1.00 61.12 C ATOM 674 C ASN A 44 1.101 1.712 -2.669 1.00 5.33 C ATOM 675 O ASN A 44 2.097 1.415 -2.005 1.00 62.15 O ATOM 676 CB ASN A 44 0.014 2.497 -0.539 1.00 32.53 C ATOM 677 CG ASN A 44 0.943 3.535 0.058 1.00 22.03 C ATOM 678 OD1 ASN A 44 1.139 4.606 -0.507 1.00 11.24 O ATOM 679 ND2 ASN A 44 1.518 3.226 1.209 1.00 3.33 N ATOM 0 H ASN A 44 -1.798 1.436 -1.856 1.00 3.45 H new ATOM 0 HA ASN A 44 0.100 3.576 -2.409 1.00 61.12 H new ATOM 0 HB2 ASN A 44 -0.991 2.646 -0.143 1.00 32.53 H new ATOM 0 HB3 ASN A 44 0.337 1.504 -0.225 1.00 32.53 H new ATOM 0 HD21 ASN A 44 2.150 3.889 1.658 1.00 3.33 H new ATOM 0 HD22 ASN A 44 1.329 2.325 1.648 1.00 3.33 H new ATOM 686 N ILE A 45 0.953 1.357 -3.937 1.00 10.33 N ATOM 687 CA ILE A 45 1.922 0.516 -4.622 1.00 51.14 C ATOM 688 C ILE A 45 2.615 1.280 -5.738 1.00 3.50 C ATOM 689 O ILE A 45 1.964 1.817 -6.635 1.00 20.11 O ATOM 690 CB ILE A 45 1.248 -0.743 -5.215 1.00 24.51 C ATOM 691 CG1 ILE A 45 0.749 -1.649 -4.093 1.00 10.11 C ATOM 692 CG2 ILE A 45 2.204 -1.498 -6.130 1.00 41.34 C ATOM 693 CD1 ILE A 45 1.859 -2.142 -3.191 1.00 62.32 C ATOM 0 H ILE A 45 0.163 1.642 -4.516 1.00 10.33 H new ATOM 0 HA ILE A 45 2.661 0.211 -3.882 1.00 51.14 H new ATOM 0 HB ILE A 45 0.395 -0.425 -5.815 1.00 24.51 H new ATOM 0 HG12 ILE A 45 0.017 -1.107 -3.495 1.00 10.11 H new ATOM 0 HG13 ILE A 45 0.234 -2.506 -4.528 1.00 10.11 H new ATOM 0 HG21 ILE A 45 1.703 -2.378 -6.533 1.00 41.34 H new ATOM 0 HG22 ILE A 45 2.512 -0.849 -6.950 1.00 41.34 H new ATOM 0 HG23 ILE A 45 3.082 -1.807 -5.563 1.00 41.34 H new ATOM 0 HD11 ILE A 45 1.440 -2.781 -2.414 1.00 62.32 H new ATOM 0 HD12 ILE A 45 2.580 -2.711 -3.779 1.00 62.32 H new ATOM 0 HD13 ILE A 45 2.358 -1.290 -2.730 1.00 62.32 H new ATOM 705 N ASP A 46 3.937 1.330 -5.674 1.00 44.24 N ATOM 706 CA ASP A 46 4.720 1.902 -6.754 1.00 43.12 C ATOM 707 C ASP A 46 5.003 0.820 -7.789 1.00 2.52 C ATOM 708 O ASP A 46 5.597 -0.209 -7.461 1.00 32.25 O ATOM 709 CB ASP A 46 6.037 2.480 -6.232 1.00 10.50 C ATOM 710 CG ASP A 46 6.737 3.341 -7.268 1.00 75.00 C ATOM 711 OD1 ASP A 46 7.196 2.800 -8.297 1.00 31.35 O ATOM 712 OD2 ASP A 46 6.816 4.572 -7.067 1.00 44.43 O ATOM 0 H ASP A 46 4.487 0.982 -4.888 1.00 44.24 H new ATOM 0 HA ASP A 46 4.153 2.715 -7.208 1.00 43.12 H new ATOM 0 HB2 ASP A 46 5.842 3.075 -5.340 1.00 10.50 H new ATOM 0 HB3 ASP A 46 6.697 1.665 -5.934 1.00 10.50 H new ATOM 717 N PRO A 47 4.568 1.028 -9.041 1.00 1.55 N ATOM 718 CA PRO A 47 4.720 0.041 -10.120 1.00 22.34 C ATOM 719 C PRO A 47 6.168 -0.385 -10.353 1.00 13.41 C ATOM 720 O PRO A 47 6.424 -1.492 -10.821 1.00 41.01 O ATOM 721 CB PRO A 47 4.186 0.774 -11.354 1.00 14.51 C ATOM 722 CG PRO A 47 3.271 1.815 -10.813 1.00 22.55 C ATOM 723 CD PRO A 47 3.870 2.238 -9.502 1.00 3.14 C ATOM 0 HA PRO A 47 4.194 -0.883 -9.882 1.00 22.34 H new ATOM 0 HB2 PRO A 47 4.996 1.221 -11.930 1.00 14.51 H new ATOM 0 HB3 PRO A 47 3.659 0.092 -12.021 1.00 14.51 H new ATOM 0 HG2 PRO A 47 3.190 2.659 -11.497 1.00 22.55 H new ATOM 0 HG3 PRO A 47 2.265 1.419 -10.675 1.00 22.55 H new ATOM 0 HD2 PRO A 47 4.556 3.076 -9.625 1.00 3.14 H new ATOM 0 HD3 PRO A 47 3.104 2.555 -8.794 1.00 3.14 H new ATOM 731 N PHE A 48 7.111 0.485 -10.007 1.00 63.04 N ATOM 732 CA PHE A 48 8.523 0.213 -10.246 1.00 44.11 C ATOM 733 C PHE A 48 9.072 -0.752 -9.195 1.00 33.22 C ATOM 734 O PHE A 48 10.152 -1.319 -9.358 1.00 34.15 O ATOM 735 CB PHE A 48 9.319 1.526 -10.248 1.00 12.52 C ATOM 736 CG PHE A 48 10.759 1.370 -10.658 1.00 45.31 C ATOM 737 CD1 PHE A 48 11.090 1.093 -11.976 1.00 42.30 C ATOM 738 CD2 PHE A 48 11.779 1.498 -9.728 1.00 14.01 C ATOM 739 CE1 PHE A 48 12.410 0.945 -12.356 1.00 72.24 C ATOM 740 CE2 PHE A 48 13.101 1.351 -10.103 1.00 10.30 C ATOM 741 CZ PHE A 48 13.417 1.075 -11.418 1.00 73.11 C ATOM 0 H PHE A 48 6.923 1.383 -9.561 1.00 63.04 H new ATOM 0 HA PHE A 48 8.628 -0.259 -11.223 1.00 44.11 H new ATOM 0 HB2 PHE A 48 8.834 2.231 -10.923 1.00 12.52 H new ATOM 0 HB3 PHE A 48 9.282 1.963 -9.250 1.00 12.52 H new ATOM 0 HD1 PHE A 48 10.307 0.992 -12.713 1.00 42.30 H new ATOM 0 HD2 PHE A 48 11.538 1.715 -8.698 1.00 14.01 H new ATOM 0 HE1 PHE A 48 12.655 0.728 -13.385 1.00 72.24 H new ATOM 0 HE2 PHE A 48 13.886 1.452 -9.368 1.00 10.30 H new ATOM 0 HZ PHE A 48 14.449 0.961 -11.714 1.00 73.11 H new ATOM 751 N ALA A 49 8.318 -0.951 -8.123 1.00 65.23 N ATOM 752 CA ALA A 49 8.746 -1.831 -7.045 1.00 24.04 C ATOM 753 C ALA A 49 7.786 -3.003 -6.901 1.00 12.43 C ATOM 754 O ALA A 49 8.191 -4.113 -6.559 1.00 52.22 O ATOM 755 CB ALA A 49 8.850 -1.059 -5.738 1.00 13.20 C ATOM 0 H ALA A 49 7.407 -0.515 -7.977 1.00 65.23 H new ATOM 0 HA ALA A 49 9.732 -2.225 -7.291 1.00 24.04 H new ATOM 0 HB1 ALA A 49 9.171 -1.732 -4.943 1.00 13.20 H new ATOM 0 HB2 ALA A 49 9.577 -0.254 -5.848 1.00 13.20 H new ATOM 0 HB3 ALA A 49 7.877 -0.638 -5.486 1.00 13.20 H new ATOM 761 N GLN A 50 6.506 -2.725 -7.147 1.00 11.51 N ATOM 762 CA GLN A 50 5.442 -3.728 -7.106 1.00 14.55 C ATOM 763 C GLN A 50 5.237 -4.255 -5.680 1.00 41.44 C ATOM 764 O GLN A 50 4.612 -5.291 -5.460 1.00 52.44 O ATOM 765 CB GLN A 50 5.735 -4.875 -8.089 1.00 43.11 C ATOM 766 CG GLN A 50 4.507 -5.701 -8.467 1.00 55.21 C ATOM 767 CD GLN A 50 3.518 -4.952 -9.360 1.00 1.00 C ATOM 768 OE1 GLN A 50 2.820 -5.562 -10.166 1.00 65.44 O ATOM 769 NE2 GLN A 50 3.445 -3.631 -9.228 1.00 51.42 N ATOM 0 H GLN A 50 6.175 -1.789 -7.382 1.00 11.51 H new ATOM 0 HA GLN A 50 4.513 -3.250 -7.417 1.00 14.55 H new ATOM 0 HB2 GLN A 50 6.173 -4.459 -8.996 1.00 43.11 H new ATOM 0 HB3 GLN A 50 6.482 -5.535 -7.648 1.00 43.11 H new ATOM 0 HG2 GLN A 50 4.832 -6.607 -8.979 1.00 55.21 H new ATOM 0 HG3 GLN A 50 3.996 -6.015 -7.557 1.00 55.21 H new ATOM 0 HE21 GLN A 50 4.038 -3.153 -8.550 1.00 51.42 H new ATOM 0 HE22 GLN A 50 2.796 -3.096 -9.805 1.00 51.42 H new ATOM 778 N ALA A 51 5.747 -3.506 -4.713 1.00 52.42 N ATOM 779 CA ALA A 51 5.607 -3.847 -3.306 1.00 14.12 C ATOM 780 C ALA A 51 5.329 -2.587 -2.510 1.00 55.02 C ATOM 781 O ALA A 51 5.412 -1.477 -3.045 1.00 52.54 O ATOM 782 CB ALA A 51 6.866 -4.539 -2.799 1.00 53.34 C ATOM 0 H ALA A 51 6.269 -2.646 -4.882 1.00 52.42 H new ATOM 0 HA ALA A 51 4.772 -4.537 -3.182 1.00 14.12 H new ATOM 0 HB1 ALA A 51 6.745 -4.788 -1.745 1.00 53.34 H new ATOM 0 HB2 ALA A 51 7.034 -5.452 -3.370 1.00 53.34 H new ATOM 0 HB3 ALA A 51 7.721 -3.873 -2.919 1.00 53.34 H new ATOM 788 N SER A 52 4.997 -2.750 -1.245 1.00 21.43 N ATOM 789 CA SER A 52 4.671 -1.623 -0.397 1.00 55.12 C ATOM 790 C SER A 52 5.930 -0.880 0.046 1.00 23.23 C ATOM 791 O SER A 52 6.446 -1.088 1.143 1.00 34.15 O ATOM 792 CB SER A 52 3.870 -2.111 0.808 1.00 40.42 C ATOM 793 OG SER A 52 4.449 -3.285 1.352 1.00 13.22 O ATOM 0 H SER A 52 4.946 -3.657 -0.781 1.00 21.43 H new ATOM 0 HA SER A 52 4.066 -0.917 -0.966 1.00 55.12 H new ATOM 0 HB2 SER A 52 3.835 -1.331 1.568 1.00 40.42 H new ATOM 0 HB3 SER A 52 2.841 -2.311 0.510 1.00 40.42 H new ATOM 0 HG SER A 52 4.414 -3.244 2.331 1.00 13.22 H new ATOM 799 N VAL A 53 6.445 -0.039 -0.837 1.00 72.22 N ATOM 800 CA VAL A 53 7.601 0.784 -0.511 1.00 24.12 C ATOM 801 C VAL A 53 7.150 2.119 0.059 1.00 41.10 C ATOM 802 O VAL A 53 7.897 2.801 0.756 1.00 62.41 O ATOM 803 CB VAL A 53 8.509 1.020 -1.740 1.00 50.44 C ATOM 804 CG1 VAL A 53 9.153 -0.285 -2.183 1.00 65.34 C ATOM 805 CG2 VAL A 53 7.723 1.647 -2.888 1.00 13.04 C ATOM 0 H VAL A 53 6.083 0.092 -1.782 1.00 72.22 H new ATOM 0 HA VAL A 53 8.184 0.244 0.235 1.00 24.12 H new ATOM 0 HB VAL A 53 9.297 1.716 -1.452 1.00 50.44 H new ATOM 0 HG11 VAL A 53 9.789 -0.101 -3.049 1.00 65.34 H new ATOM 0 HG12 VAL A 53 9.756 -0.688 -1.369 1.00 65.34 H new ATOM 0 HG13 VAL A 53 8.376 -1.002 -2.449 1.00 65.34 H new ATOM 0 HG21 VAL A 53 8.385 1.803 -3.740 1.00 13.04 H new ATOM 0 HG22 VAL A 53 6.909 0.982 -3.177 1.00 13.04 H new ATOM 0 HG23 VAL A 53 7.313 2.605 -2.568 1.00 13.04 H new ATOM 815 N LEU A 54 5.906 2.469 -0.228 1.00 20.45 N ATOM 816 CA LEU A 54 5.328 3.712 0.248 1.00 52.42 C ATOM 817 C LEU A 54 4.743 3.521 1.645 1.00 11.24 C ATOM 818 O LEU A 54 4.518 4.482 2.377 1.00 21.12 O ATOM 819 CB LEU A 54 4.247 4.184 -0.727 1.00 10.12 C ATOM 820 CG LEU A 54 4.695 4.318 -2.185 1.00 42.51 C ATOM 821 CD1 LEU A 54 3.516 4.678 -3.074 1.00 44.24 C ATOM 822 CD2 LEU A 54 5.795 5.359 -2.305 1.00 13.32 C ATOM 0 H LEU A 54 5.274 1.903 -0.794 1.00 20.45 H new ATOM 0 HA LEU A 54 6.108 4.471 0.304 1.00 52.42 H new ATOM 0 HB2 LEU A 54 3.411 3.485 -0.684 1.00 10.12 H new ATOM 0 HB3 LEU A 54 3.873 5.150 -0.389 1.00 10.12 H new ATOM 0 HG LEU A 54 5.091 3.358 -2.517 1.00 42.51 H new ATOM 0 HD11 LEU A 54 3.853 4.769 -4.106 1.00 44.24 H new ATOM 0 HD12 LEU A 54 2.758 3.897 -3.007 1.00 44.24 H new ATOM 0 HD13 LEU A 54 3.090 5.626 -2.747 1.00 44.24 H new ATOM 0 HD21 LEU A 54 6.104 5.444 -3.347 1.00 13.32 H new ATOM 0 HD22 LEU A 54 5.423 6.323 -1.957 1.00 13.32 H new ATOM 0 HD23 LEU A 54 6.648 5.058 -1.697 1.00 13.32 H new ATOM 834 N SER A 55 4.523 2.264 2.015 1.00 3.41 N ATOM 835 CA SER A 55 3.968 1.925 3.321 1.00 15.02 C ATOM 836 C SER A 55 5.052 1.930 4.397 1.00 53.50 C ATOM 837 O SER A 55 4.830 1.475 5.517 1.00 4.43 O ATOM 838 CB SER A 55 3.306 0.549 3.263 1.00 24.23 C ATOM 839 OG SER A 55 2.282 0.513 2.283 1.00 31.02 O ATOM 0 H SER A 55 4.722 1.457 1.424 1.00 3.41 H new ATOM 0 HA SER A 55 3.224 2.678 3.580 1.00 15.02 H new ATOM 0 HB2 SER A 55 4.056 -0.209 3.037 1.00 24.23 H new ATOM 0 HB3 SER A 55 2.888 0.302 4.239 1.00 24.23 H new ATOM 0 HG SER A 55 1.472 0.120 2.670 1.00 31.02 H new ATOM 845 N ARG A 56 6.222 2.437 4.043 1.00 61.42 N ATOM 846 CA ARG A 56 7.339 2.535 4.971 1.00 14.35 C ATOM 847 C ARG A 56 8.201 3.738 4.613 1.00 65.02 C ATOM 848 O ARG A 56 9.414 3.741 4.824 1.00 62.14 O ATOM 849 CB ARG A 56 8.163 1.237 4.960 1.00 10.03 C ATOM 850 CG ARG A 56 8.328 0.618 3.579 1.00 75.21 C ATOM 851 CD ARG A 56 9.058 -0.717 3.651 1.00 12.20 C ATOM 852 NE ARG A 56 8.928 -1.481 2.412 1.00 11.33 N ATOM 853 CZ ARG A 56 9.793 -2.419 2.018 1.00 71.21 C ATOM 854 NH1 ARG A 56 10.888 -2.664 2.731 1.00 44.01 N ATOM 855 NH2 ARG A 56 9.559 -3.106 0.906 1.00 12.45 N ATOM 0 H ARG A 56 6.425 2.791 3.108 1.00 61.42 H new ATOM 0 HA ARG A 56 6.955 2.675 5.981 1.00 14.35 H new ATOM 0 HB2 ARG A 56 9.150 1.442 5.375 1.00 10.03 H new ATOM 0 HB3 ARG A 56 7.686 0.510 5.618 1.00 10.03 H new ATOM 0 HG2 ARG A 56 7.348 0.474 3.124 1.00 75.21 H new ATOM 0 HG3 ARG A 56 8.881 1.302 2.936 1.00 75.21 H new ATOM 0 HD2 ARG A 56 10.113 -0.542 3.860 1.00 12.20 H new ATOM 0 HD3 ARG A 56 8.662 -1.302 4.481 1.00 12.20 H new ATOM 0 HE ARG A 56 8.127 -1.286 1.811 1.00 11.33 H new ATOM 0 HH11 ARG A 56 11.071 -2.134 3.583 1.00 44.01 H new ATOM 0 HH12 ARG A 56 11.545 -3.382 2.426 1.00 44.01 H new ATOM 0 HH21 ARG A 56 8.721 -2.916 0.356 1.00 12.45 H new ATOM 0 HH22 ARG A 56 10.217 -3.823 0.602 1.00 12.45 H new ATOM 869 N GLY A 57 7.547 4.769 4.087 1.00 50.13 N ATOM 870 CA GLY A 57 8.244 5.973 3.687 1.00 42.14 C ATOM 871 C GLY A 57 8.175 7.061 4.742 1.00 75.10 C ATOM 872 O GLY A 57 8.156 6.776 5.939 1.00 65.31 O ATOM 0 H GLY A 57 6.539 4.789 3.931 1.00 50.13 H new ATOM 0 HA2 GLY A 57 9.288 5.734 3.483 1.00 42.14 H new ATOM 0 HA3 GLY A 57 7.815 6.345 2.757 1.00 42.14 H new ATOM 876 N ILE A 58 8.113 8.308 4.296 1.00 54.52 N ATOM 877 CA ILE A 58 8.146 9.452 5.201 1.00 64.02 C ATOM 878 C ILE A 58 6.741 9.964 5.484 1.00 64.25 C ATOM 879 O ILE A 58 5.987 10.294 4.567 1.00 52.32 O ATOM 880 CB ILE A 58 9.007 10.615 4.638 1.00 62.42 C ATOM 881 CG1 ILE A 58 10.480 10.209 4.490 1.00 34.35 C ATOM 882 CG2 ILE A 58 8.900 11.844 5.528 1.00 55.24 C ATOM 883 CD1 ILE A 58 10.764 9.303 3.311 1.00 54.22 C ATOM 0 H ILE A 58 8.039 8.555 3.309 1.00 54.52 H new ATOM 0 HA ILE A 58 8.601 9.102 6.128 1.00 64.02 H new ATOM 0 HB ILE A 58 8.618 10.854 3.648 1.00 62.42 H new ATOM 0 HG12 ILE A 58 11.085 11.111 4.394 1.00 34.35 H new ATOM 0 HG13 ILE A 58 10.799 9.707 5.403 1.00 34.35 H new ATOM 0 HG21 ILE A 58 9.511 12.647 5.115 1.00 55.24 H new ATOM 0 HG22 ILE A 58 7.860 12.168 5.577 1.00 55.24 H new ATOM 0 HG23 ILE A 58 9.252 11.599 6.530 1.00 55.24 H new ATOM 0 HD11 ILE A 58 11.828 9.066 3.282 1.00 54.22 H new ATOM 0 HD12 ILE A 58 10.190 8.382 3.413 1.00 54.22 H new ATOM 0 HD13 ILE A 58 10.480 9.808 2.388 1.00 54.22 H new ATOM 895 N VAL A 59 6.397 10.019 6.759 1.00 41.12 N ATOM 896 CA VAL A 59 5.118 10.545 7.194 1.00 13.33 C ATOM 897 C VAL A 59 5.225 12.048 7.420 1.00 62.21 C ATOM 898 O VAL A 59 5.768 12.500 8.430 1.00 14.11 O ATOM 899 CB VAL A 59 4.652 9.855 8.491 1.00 70.13 C ATOM 900 CG1 VAL A 59 3.329 10.432 8.976 1.00 25.00 C ATOM 901 CG2 VAL A 59 4.534 8.352 8.285 1.00 24.15 C ATOM 0 H VAL A 59 6.997 9.700 7.520 1.00 41.12 H new ATOM 0 HA VAL A 59 4.383 10.346 6.414 1.00 13.33 H new ATOM 0 HB VAL A 59 5.403 10.043 9.259 1.00 70.13 H new ATOM 0 HG11 VAL A 59 3.025 9.926 9.892 1.00 25.00 H new ATOM 0 HG12 VAL A 59 3.447 11.498 9.172 1.00 25.00 H new ATOM 0 HG13 VAL A 59 2.566 10.286 8.211 1.00 25.00 H new ATOM 0 HG21 VAL A 59 4.204 7.883 9.212 1.00 24.15 H new ATOM 0 HG22 VAL A 59 3.809 8.149 7.497 1.00 24.15 H new ATOM 0 HG23 VAL A 59 5.504 7.947 7.999 1.00 24.15 H new ATOM 911 N ALA A 60 4.726 12.816 6.469 1.00 0.14 N ATOM 912 CA ALA A 60 4.813 14.266 6.526 1.00 64.11 C ATOM 913 C ALA A 60 3.479 14.876 6.937 1.00 51.41 C ATOM 914 O ALA A 60 2.509 14.857 6.178 1.00 3.12 O ATOM 915 CB ALA A 60 5.259 14.819 5.181 1.00 12.42 C ATOM 0 H ALA A 60 4.252 12.457 5.640 1.00 0.14 H new ATOM 0 HA ALA A 60 5.553 14.535 7.279 1.00 64.11 H new ATOM 0 HB1 ALA A 60 5.320 15.906 5.237 1.00 12.42 H new ATOM 0 HB2 ALA A 60 6.238 14.413 4.927 1.00 12.42 H new ATOM 0 HB3 ALA A 60 4.539 14.535 4.414 1.00 12.42 H new ATOM 921 N GLU A 61 3.431 15.402 8.150 1.00 13.34 N ATOM 922 CA GLU A 61 2.229 16.050 8.649 1.00 51.14 C ATOM 923 C GLU A 61 2.193 17.504 8.204 1.00 61.01 C ATOM 924 O GLU A 61 3.058 18.299 8.574 1.00 23.43 O ATOM 925 CB GLU A 61 2.177 15.975 10.173 1.00 34.03 C ATOM 926 CG GLU A 61 0.945 16.635 10.776 1.00 70.03 C ATOM 927 CD GLU A 61 1.018 16.729 12.283 1.00 4.43 C ATOM 928 OE1 GLU A 61 0.695 15.733 12.962 1.00 64.30 O ATOM 929 OE2 GLU A 61 1.403 17.801 12.795 1.00 63.14 O ATOM 0 H GLU A 61 4.211 15.393 8.808 1.00 13.34 H new ATOM 0 HA GLU A 61 1.362 15.530 8.241 1.00 51.14 H new ATOM 0 HB2 GLU A 61 2.204 14.929 10.478 1.00 34.03 H new ATOM 0 HB3 GLU A 61 3.069 16.449 10.582 1.00 34.03 H new ATOM 0 HG2 GLU A 61 0.831 17.635 10.358 1.00 70.03 H new ATOM 0 HG3 GLU A 61 0.058 16.068 10.493 1.00 70.03 H new ATOM 936 N HIS A 62 1.198 17.847 7.410 1.00 1.44 N ATOM 937 CA HIS A 62 1.053 19.203 6.917 1.00 3.54 C ATOM 938 C HIS A 62 -0.040 19.921 7.694 1.00 33.11 C ATOM 939 O HIS A 62 -1.216 19.854 7.332 1.00 50.55 O ATOM 940 CB HIS A 62 0.738 19.195 5.418 1.00 44.34 C ATOM 941 CG HIS A 62 0.620 20.563 4.811 1.00 20.33 C ATOM 942 ND1 HIS A 62 1.722 21.249 4.362 1.00 25.43 N ATOM 943 CD2 HIS A 62 -0.485 21.319 4.607 1.00 25.33 C ATOM 944 CE1 HIS A 62 1.268 22.403 3.902 1.00 51.44 C ATOM 945 NE2 HIS A 62 -0.065 22.490 4.029 1.00 72.20 N ATOM 0 H HIS A 62 0.475 17.202 7.091 1.00 1.44 H new ATOM 0 HA HIS A 62 1.992 19.737 7.063 1.00 3.54 H new ATOM 0 HB2 HIS A 62 1.520 18.643 4.896 1.00 44.34 H new ATOM 0 HB3 HIS A 62 -0.195 18.655 5.256 1.00 44.34 H new ATOM 0 HD2 HIS A 62 -1.502 21.051 4.852 1.00 25.33 H new ATOM 0 HE1 HIS A 62 1.891 23.177 3.478 1.00 51.44 H new ATOM 0 HE2 HIS A 62 -0.653 23.275 3.750 1.00 72.20 H new ATOM 953 N GLN A 63 0.365 20.573 8.782 1.00 52.24 N ATOM 954 CA GLN A 63 -0.540 21.346 9.639 1.00 33.13 C ATOM 955 C GLN A 63 -1.594 20.454 10.304 1.00 72.32 C ATOM 956 O GLN A 63 -1.429 20.045 11.453 1.00 64.12 O ATOM 957 CB GLN A 63 -1.194 22.486 8.845 1.00 73.13 C ATOM 958 CG GLN A 63 -0.179 23.449 8.247 1.00 51.51 C ATOM 959 CD GLN A 63 -0.818 24.610 7.508 1.00 14.41 C ATOM 960 OE1 GLN A 63 -1.075 24.535 6.307 1.00 10.03 O ATOM 961 NE2 GLN A 63 -1.070 25.693 8.222 1.00 12.23 N ATOM 0 H GLN A 63 1.335 20.582 9.098 1.00 52.24 H new ATOM 0 HA GLN A 63 0.055 21.786 10.439 1.00 33.13 H new ATOM 0 HB2 GLN A 63 -1.801 22.063 8.045 1.00 73.13 H new ATOM 0 HB3 GLN A 63 -1.869 23.038 9.500 1.00 73.13 H new ATOM 0 HG2 GLN A 63 0.455 23.839 9.043 1.00 51.51 H new ATOM 0 HG3 GLN A 63 0.469 22.903 7.561 1.00 51.51 H new ATOM 0 HE21 GLN A 63 -0.841 25.713 9.216 1.00 12.23 H new ATOM 0 HE22 GLN A 63 -1.493 26.509 7.779 1.00 12.23 H new ATOM 970 N ASP A 64 -2.662 20.151 9.586 1.00 61.24 N ATOM 971 CA ASP A 64 -3.727 19.301 10.107 1.00 23.33 C ATOM 972 C ASP A 64 -3.792 17.993 9.323 1.00 73.52 C ATOM 973 O ASP A 64 -4.269 16.970 9.820 1.00 45.03 O ATOM 974 CB ASP A 64 -5.070 20.037 10.022 1.00 14.33 C ATOM 975 CG ASP A 64 -6.250 19.161 10.400 1.00 13.23 C ATOM 976 OD1 ASP A 64 -6.535 19.029 11.607 1.00 12.13 O ATOM 977 OD2 ASP A 64 -6.910 18.619 9.488 1.00 72.30 O ATOM 0 H ASP A 64 -2.818 20.482 8.634 1.00 61.24 H new ATOM 0 HA ASP A 64 -3.515 19.069 11.151 1.00 23.33 H new ATOM 0 HB2 ASP A 64 -5.044 20.906 10.679 1.00 14.33 H new ATOM 0 HB3 ASP A 64 -5.211 20.409 9.007 1.00 14.33 H new ATOM 982 N ASP A 65 -3.277 18.032 8.103 1.00 20.34 N ATOM 983 CA ASP A 65 -3.390 16.911 7.183 1.00 13.15 C ATOM 984 C ASP A 65 -2.202 15.971 7.294 1.00 13.33 C ATOM 985 O ASP A 65 -1.104 16.374 7.675 1.00 30.25 O ATOM 986 CB ASP A 65 -3.507 17.412 5.744 1.00 51.20 C ATOM 987 CG ASP A 65 -4.863 18.002 5.428 1.00 25.25 C ATOM 988 OD1 ASP A 65 -5.751 17.249 4.988 1.00 72.32 O ATOM 989 OD2 ASP A 65 -5.044 19.227 5.593 1.00 71.23 O ATOM 0 H ASP A 65 -2.773 18.835 7.726 1.00 20.34 H new ATOM 0 HA ASP A 65 -4.290 16.360 7.454 1.00 13.15 H new ATOM 0 HB2 ASP A 65 -2.739 18.165 5.564 1.00 51.20 H new ATOM 0 HB3 ASP A 65 -3.309 16.586 5.061 1.00 51.20 H new ATOM 994 N LEU A 66 -2.430 14.717 6.938 1.00 14.12 N ATOM 995 CA LEU A 66 -1.389 13.702 6.962 1.00 14.21 C ATOM 996 C LEU A 66 -1.061 13.242 5.549 1.00 70.02 C ATOM 997 O LEU A 66 -1.908 12.674 4.852 1.00 53.41 O ATOM 998 CB LEU A 66 -1.824 12.505 7.812 1.00 51.32 C ATOM 999 CG LEU A 66 -2.024 12.800 9.299 1.00 35.22 C ATOM 1000 CD1 LEU A 66 -2.547 11.565 10.017 1.00 14.32 C ATOM 1001 CD2 LEU A 66 -0.718 13.266 9.924 1.00 65.15 C ATOM 0 H LEU A 66 -3.339 14.375 6.625 1.00 14.12 H new ATOM 0 HA LEU A 66 -0.496 14.142 7.406 1.00 14.21 H new ATOM 0 HB2 LEU A 66 -2.757 12.112 7.407 1.00 51.32 H new ATOM 0 HB3 LEU A 66 -1.077 11.718 7.712 1.00 51.32 H new ATOM 0 HG LEU A 66 -2.761 13.597 9.401 1.00 35.22 H new ATOM 0 HD11 LEU A 66 -2.685 11.790 11.075 1.00 14.32 H new ATOM 0 HD12 LEU A 66 -3.501 11.268 9.582 1.00 14.32 H new ATOM 0 HD13 LEU A 66 -1.830 10.751 9.909 1.00 14.32 H new ATOM 0 HD21 LEU A 66 -0.875 13.473 10.983 1.00 65.15 H new ATOM 0 HD22 LEU A 66 0.036 12.487 9.814 1.00 65.15 H new ATOM 0 HD23 LEU A 66 -0.378 14.173 9.424 1.00 65.15 H new ATOM 1013 N TRP A 67 0.167 13.497 5.129 1.00 31.41 N ATOM 1014 CA TRP A 67 0.615 13.139 3.794 1.00 40.11 C ATOM 1015 C TRP A 67 1.789 12.178 3.888 1.00 43.31 C ATOM 1016 O TRP A 67 2.543 12.204 4.861 1.00 53.13 O ATOM 1017 CB TRP A 67 1.045 14.391 3.015 1.00 73.00 C ATOM 1018 CG TRP A 67 0.024 15.494 3.005 1.00 54.01 C ATOM 1019 CD1 TRP A 67 -0.386 16.239 4.073 1.00 3.04 C ATOM 1020 CD2 TRP A 67 -0.699 15.990 1.869 1.00 64.21 C ATOM 1021 NE1 TRP A 67 -1.322 17.158 3.674 1.00 31.22 N ATOM 1022 CE2 TRP A 67 -1.531 17.028 2.329 1.00 52.12 C ATOM 1023 CE3 TRP A 67 -0.729 15.661 0.510 1.00 3.21 C ATOM 1024 CZ2 TRP A 67 -2.380 17.735 1.485 1.00 53.23 C ATOM 1025 CZ3 TRP A 67 -1.573 16.363 -0.327 1.00 34.12 C ATOM 1026 CH2 TRP A 67 -2.389 17.391 0.161 1.00 13.34 C ATOM 0 H TRP A 67 0.877 13.955 5.700 1.00 31.41 H new ATOM 0 HA TRP A 67 -0.212 12.662 3.268 1.00 40.11 H new ATOM 0 HB2 TRP A 67 1.971 14.773 3.446 1.00 73.00 H new ATOM 0 HB3 TRP A 67 1.266 14.107 1.986 1.00 73.00 H new ATOM 0 HD1 TRP A 67 -0.026 16.122 5.084 1.00 3.04 H new ATOM 0 HE1 TRP A 67 -1.788 17.831 4.283 1.00 31.22 H new ATOM 0 HE3 TRP A 67 -0.103 14.871 0.122 1.00 3.21 H new ATOM 0 HZ2 TRP A 67 -3.010 18.527 1.861 1.00 53.23 H new ATOM 0 HZ3 TRP A 67 -1.605 16.115 -1.378 1.00 34.12 H new ATOM 0 HH2 TRP A 67 -3.037 17.922 -0.520 1.00 13.34 H new ATOM 1037 N VAL A 68 1.943 11.327 2.897 1.00 33.02 N ATOM 1038 CA VAL A 68 3.084 10.438 2.855 1.00 31.45 C ATOM 1039 C VAL A 68 4.012 10.845 1.715 1.00 20.25 C ATOM 1040 O VAL A 68 3.577 11.068 0.581 1.00 51.40 O ATOM 1041 CB VAL A 68 2.659 8.956 2.725 1.00 22.33 C ATOM 1042 CG1 VAL A 68 1.776 8.746 1.510 1.00 75.00 C ATOM 1043 CG2 VAL A 68 3.878 8.043 2.676 1.00 1.42 C ATOM 0 H VAL A 68 1.297 11.232 2.114 1.00 33.02 H new ATOM 0 HA VAL A 68 3.620 10.528 3.800 1.00 31.45 H new ATOM 0 HB VAL A 68 2.078 8.696 3.610 1.00 22.33 H new ATOM 0 HG11 VAL A 68 1.492 7.696 1.443 1.00 75.00 H new ATOM 0 HG12 VAL A 68 0.879 9.359 1.602 1.00 75.00 H new ATOM 0 HG13 VAL A 68 2.321 9.032 0.610 1.00 75.00 H new ATOM 0 HG21 VAL A 68 3.553 7.007 2.585 1.00 1.42 H new ATOM 0 HG22 VAL A 68 4.496 8.307 1.818 1.00 1.42 H new ATOM 0 HG23 VAL A 68 4.459 8.162 3.591 1.00 1.42 H new ATOM 1053 N ALA A 69 5.282 10.995 2.039 1.00 5.22 N ATOM 1054 CA ALA A 69 6.274 11.388 1.060 1.00 71.31 C ATOM 1055 C ALA A 69 6.836 10.165 0.364 1.00 13.31 C ATOM 1056 O ALA A 69 7.481 9.325 0.996 1.00 3.14 O ATOM 1057 CB ALA A 69 7.393 12.176 1.721 1.00 10.23 C ATOM 0 H ALA A 69 5.651 10.849 2.979 1.00 5.22 H new ATOM 0 HA ALA A 69 5.793 12.026 0.318 1.00 71.31 H new ATOM 0 HB1 ALA A 69 8.129 12.463 0.970 1.00 10.23 H new ATOM 0 HB2 ALA A 69 6.982 13.072 2.186 1.00 10.23 H new ATOM 0 HB3 ALA A 69 7.872 11.559 2.482 1.00 10.23 H new ATOM 1063 N SER A 70 6.567 10.056 -0.929 1.00 71.41 N ATOM 1064 CA SER A 70 7.094 8.964 -1.726 1.00 2.44 C ATOM 1065 C SER A 70 8.618 9.026 -1.747 1.00 34.22 C ATOM 1066 O SER A 70 9.195 9.986 -2.256 1.00 15.35 O ATOM 1067 CB SER A 70 6.537 9.030 -3.155 1.00 12.04 C ATOM 1068 OG SER A 70 7.062 7.987 -3.963 1.00 62.40 O ATOM 0 H SER A 70 5.985 10.714 -1.447 1.00 71.41 H new ATOM 0 HA SER A 70 6.785 8.019 -1.279 1.00 2.44 H new ATOM 0 HB2 SER A 70 5.450 8.959 -3.127 1.00 12.04 H new ATOM 0 HB3 SER A 70 6.782 9.995 -3.599 1.00 12.04 H new ATOM 0 HG SER A 70 6.404 7.739 -4.646 1.00 62.40 H new ATOM 1074 N PRO A 71 9.289 8.006 -1.190 1.00 40.21 N ATOM 1075 CA PRO A 71 10.753 7.967 -1.128 1.00 71.23 C ATOM 1076 C PRO A 71 11.383 7.778 -2.506 1.00 60.14 C ATOM 1077 O PRO A 71 12.598 7.883 -2.663 1.00 1.15 O ATOM 1078 CB PRO A 71 11.042 6.757 -0.234 1.00 71.24 C ATOM 1079 CG PRO A 71 9.841 5.887 -0.367 1.00 41.32 C ATOM 1080 CD PRO A 71 8.676 6.816 -0.571 1.00 62.22 C ATOM 0 HA PRO A 71 11.171 8.899 -0.748 1.00 71.23 H new ATOM 0 HB2 PRO A 71 11.945 6.236 -0.554 1.00 71.24 H new ATOM 0 HB3 PRO A 71 11.198 7.059 0.802 1.00 71.24 H new ATOM 0 HG2 PRO A 71 9.946 5.203 -1.209 1.00 41.32 H new ATOM 0 HG3 PRO A 71 9.701 5.276 0.525 1.00 41.32 H new ATOM 0 HD2 PRO A 71 7.918 6.373 -1.217 1.00 62.22 H new ATOM 0 HD3 PRO A 71 8.188 7.061 0.372 1.00 62.22 H new ATOM 1088 N LEU A 72 10.548 7.505 -3.500 1.00 1.42 N ATOM 1089 CA LEU A 72 11.021 7.274 -4.855 1.00 34.41 C ATOM 1090 C LEU A 72 10.569 8.387 -5.794 1.00 11.44 C ATOM 1091 O LEU A 72 11.374 8.964 -6.520 1.00 10.34 O ATOM 1092 CB LEU A 72 10.513 5.925 -5.372 1.00 72.35 C ATOM 1093 CG LEU A 72 11.022 4.698 -4.613 1.00 4.21 C ATOM 1094 CD1 LEU A 72 10.403 3.431 -5.185 1.00 21.41 C ATOM 1095 CD2 LEU A 72 12.543 4.631 -4.666 1.00 3.13 C ATOM 0 H LEU A 72 9.536 7.438 -3.391 1.00 1.42 H new ATOM 0 HA LEU A 72 12.111 7.265 -4.831 1.00 34.41 H new ATOM 0 HB2 LEU A 72 9.424 5.928 -5.335 1.00 72.35 H new ATOM 0 HB3 LEU A 72 10.796 5.826 -6.420 1.00 72.35 H new ATOM 0 HG LEU A 72 10.724 4.784 -3.568 1.00 4.21 H new ATOM 0 HD11 LEU A 72 10.773 2.565 -4.636 1.00 21.41 H new ATOM 0 HD12 LEU A 72 9.318 3.482 -5.093 1.00 21.41 H new ATOM 0 HD13 LEU A 72 10.673 3.337 -6.237 1.00 21.41 H new ATOM 0 HD21 LEU A 72 12.888 3.752 -4.121 1.00 3.13 H new ATOM 0 HD22 LEU A 72 12.868 4.565 -5.704 1.00 3.13 H new ATOM 0 HD23 LEU A 72 12.963 5.528 -4.211 1.00 3.13 H new ATOM 1107 N LYS A 73 9.277 8.691 -5.773 1.00 75.10 N ATOM 1108 CA LYS A 73 8.710 9.653 -6.711 1.00 2.35 C ATOM 1109 C LYS A 73 8.696 11.062 -6.125 1.00 15.44 C ATOM 1110 O LYS A 73 8.306 12.018 -6.795 1.00 61.22 O ATOM 1111 CB LYS A 73 7.309 9.208 -7.129 1.00 71.03 C ATOM 1112 CG LYS A 73 7.310 7.827 -7.768 1.00 62.51 C ATOM 1113 CD LYS A 73 8.125 7.808 -9.053 1.00 21.45 C ATOM 1114 CE LYS A 73 8.656 6.415 -9.372 1.00 32.41 C ATOM 1115 NZ LYS A 73 7.577 5.394 -9.434 1.00 12.32 N ATOM 0 H LYS A 73 8.605 8.288 -5.120 1.00 75.10 H new ATOM 0 HA LYS A 73 9.342 9.685 -7.598 1.00 2.35 H new ATOM 0 HB2 LYS A 73 6.656 9.202 -6.256 1.00 71.03 H new ATOM 0 HB3 LYS A 73 6.895 9.931 -7.832 1.00 71.03 H new ATOM 0 HG2 LYS A 73 7.719 7.100 -7.066 1.00 62.51 H new ATOM 0 HG3 LYS A 73 6.285 7.523 -7.981 1.00 62.51 H new ATOM 0 HD2 LYS A 73 7.507 8.158 -9.880 1.00 21.45 H new ATOM 0 HD3 LYS A 73 8.960 8.503 -8.963 1.00 21.45 H new ATOM 0 HE2 LYS A 73 9.183 6.440 -10.326 1.00 32.41 H new ATOM 0 HE3 LYS A 73 9.383 6.125 -8.614 1.00 32.41 H new ATOM 0 HZ1 LYS A 73 7.999 4.449 -9.535 1.00 12.32 H new ATOM 0 HZ2 LYS A 73 7.014 5.430 -8.560 1.00 12.32 H new ATOM 0 HZ3 LYS A 73 6.962 5.588 -10.250 1.00 12.32 H new ATOM 1129 N LYS A 74 9.099 11.169 -4.856 1.00 20.15 N ATOM 1130 CA LYS A 74 9.396 12.459 -4.222 1.00 31.20 C ATOM 1131 C LYS A 74 8.142 13.340 -4.076 1.00 21.35 C ATOM 1132 O LYS A 74 8.232 14.519 -3.732 1.00 51.12 O ATOM 1133 CB LYS A 74 10.481 13.172 -5.043 1.00 12.14 C ATOM 1134 CG LYS A 74 11.185 14.312 -4.324 1.00 62.25 C ATOM 1135 CD LYS A 74 12.325 14.859 -5.168 1.00 62.22 C ATOM 1136 CE LYS A 74 13.416 13.815 -5.380 1.00 70.22 C ATOM 1137 NZ LYS A 74 14.373 14.216 -6.446 1.00 11.13 N ATOM 0 H LYS A 74 9.229 10.367 -4.239 1.00 20.15 H new ATOM 0 HA LYS A 74 9.757 12.276 -3.210 1.00 31.20 H new ATOM 0 HB2 LYS A 74 11.227 12.438 -5.346 1.00 12.14 H new ATOM 0 HB3 LYS A 74 10.028 13.562 -5.955 1.00 12.14 H new ATOM 0 HG2 LYS A 74 10.472 15.108 -4.108 1.00 62.25 H new ATOM 0 HG3 LYS A 74 11.571 13.961 -3.367 1.00 62.25 H new ATOM 0 HD2 LYS A 74 11.940 15.185 -6.134 1.00 62.22 H new ATOM 0 HD3 LYS A 74 12.750 15.737 -4.682 1.00 62.22 H new ATOM 0 HE2 LYS A 74 13.957 13.662 -4.446 1.00 70.22 H new ATOM 0 HE3 LYS A 74 12.959 12.861 -5.644 1.00 70.22 H new ATOM 0 HZ1 LYS A 74 15.098 13.478 -6.557 1.00 11.13 H new ATOM 0 HZ2 LYS A 74 13.862 14.338 -7.344 1.00 11.13 H new ATOM 0 HZ3 LYS A 74 14.829 15.113 -6.183 1.00 11.13 H new ATOM 1151 N GLN A 75 6.972 12.761 -4.311 1.00 74.05 N ATOM 1152 CA GLN A 75 5.725 13.509 -4.221 1.00 61.44 C ATOM 1153 C GLN A 75 5.003 13.198 -2.914 1.00 71.35 C ATOM 1154 O GLN A 75 5.154 12.106 -2.358 1.00 40.15 O ATOM 1155 CB GLN A 75 4.831 13.199 -5.425 1.00 34.02 C ATOM 1156 CG GLN A 75 4.521 11.721 -5.597 1.00 70.22 C ATOM 1157 CD GLN A 75 3.811 11.418 -6.903 1.00 15.44 C ATOM 1158 OE1 GLN A 75 3.023 10.483 -6.987 1.00 72.40 O ATOM 1159 NE2 GLN A 75 4.084 12.202 -7.933 1.00 14.10 N ATOM 0 H GLN A 75 6.860 11.779 -4.564 1.00 74.05 H new ATOM 0 HA GLN A 75 5.958 14.574 -4.231 1.00 61.44 H new ATOM 0 HB2 GLN A 75 3.895 13.747 -5.321 1.00 34.02 H new ATOM 0 HB3 GLN A 75 5.316 13.566 -6.329 1.00 34.02 H new ATOM 0 HG2 GLN A 75 5.450 11.152 -5.553 1.00 70.22 H new ATOM 0 HG3 GLN A 75 3.902 11.385 -4.765 1.00 70.22 H new ATOM 0 HE21 GLN A 75 4.745 12.971 -7.827 1.00 14.10 H new ATOM 0 HE22 GLN A 75 3.633 12.037 -8.833 1.00 14.10 H new ATOM 1168 N HIS A 76 4.241 14.168 -2.417 1.00 72.53 N ATOM 1169 CA HIS A 76 3.522 14.017 -1.156 1.00 53.02 C ATOM 1170 C HIS A 76 2.037 13.833 -1.418 1.00 20.14 C ATOM 1171 O HIS A 76 1.359 14.782 -1.794 1.00 44.13 O ATOM 1172 CB HIS A 76 3.713 15.255 -0.268 1.00 3.14 C ATOM 1173 CG HIS A 76 5.117 15.472 0.209 1.00 35.43 C ATOM 1174 ND1 HIS A 76 6.105 16.032 -0.576 1.00 43.05 N ATOM 1175 CD2 HIS A 76 5.695 15.211 1.405 1.00 70.10 C ATOM 1176 CE1 HIS A 76 7.228 16.103 0.116 1.00 31.10 C ATOM 1177 NE2 HIS A 76 7.005 15.613 1.319 1.00 74.05 N ATOM 0 H HIS A 76 4.105 15.071 -2.871 1.00 72.53 H new ATOM 0 HA HIS A 76 3.923 13.141 -0.647 1.00 53.02 H new ATOM 0 HB2 HIS A 76 3.392 16.137 -0.823 1.00 3.14 H new ATOM 0 HB3 HIS A 76 3.058 15.168 0.599 1.00 3.14 H new ATOM 0 HD2 HIS A 76 5.215 14.769 2.266 1.00 70.10 H new ATOM 0 HE1 HIS A 76 8.168 16.495 -0.243 1.00 31.10 H new ATOM 0 HE2 HIS A 76 7.695 15.544 2.067 1.00 74.05 H new ATOM 1186 N PHE A 77 1.532 12.624 -1.228 1.00 15.20 N ATOM 1187 CA PHE A 77 0.115 12.375 -1.437 1.00 42.21 C ATOM 1188 C PHE A 77 -0.588 12.086 -0.118 1.00 24.13 C ATOM 1189 O PHE A 77 -0.030 11.452 0.779 1.00 13.03 O ATOM 1190 CB PHE A 77 -0.125 11.254 -2.462 1.00 40.42 C ATOM 1191 CG PHE A 77 0.578 9.953 -2.187 1.00 13.51 C ATOM 1192 CD1 PHE A 77 1.934 9.809 -2.447 1.00 75.42 C ATOM 1193 CD2 PHE A 77 -0.125 8.864 -1.696 1.00 3.01 C ATOM 1194 CE1 PHE A 77 2.573 8.607 -2.214 1.00 72.32 C ATOM 1195 CE2 PHE A 77 0.509 7.658 -1.469 1.00 52.01 C ATOM 1196 CZ PHE A 77 1.860 7.530 -1.727 1.00 40.54 C ATOM 0 H PHE A 77 2.073 11.811 -0.934 1.00 15.20 H new ATOM 0 HA PHE A 77 -0.319 13.284 -1.855 1.00 42.21 H new ATOM 0 HB2 PHE A 77 -1.196 11.061 -2.517 1.00 40.42 H new ATOM 0 HB3 PHE A 77 0.185 11.612 -3.443 1.00 40.42 H new ATOM 0 HD1 PHE A 77 2.495 10.646 -2.836 1.00 75.42 H new ATOM 0 HD2 PHE A 77 -1.181 8.960 -1.489 1.00 3.01 H new ATOM 0 HE1 PHE A 77 3.630 8.510 -2.413 1.00 72.32 H new ATOM 0 HE2 PHE A 77 -0.051 6.816 -1.090 1.00 52.01 H new ATOM 0 HZ PHE A 77 2.358 6.588 -1.548 1.00 40.54 H new ATOM 1206 N ARG A 78 -1.808 12.585 -0.003 1.00 60.30 N ATOM 1207 CA ARG A 78 -2.574 12.483 1.230 1.00 1.21 C ATOM 1208 C ARG A 78 -3.322 11.156 1.280 1.00 62.35 C ATOM 1209 O ARG A 78 -4.099 10.843 0.379 1.00 21.34 O ATOM 1210 CB ARG A 78 -3.538 13.672 1.328 1.00 41.51 C ATOM 1211 CG ARG A 78 -4.378 13.711 2.595 1.00 14.13 C ATOM 1212 CD ARG A 78 -5.046 15.071 2.772 1.00 44.32 C ATOM 1213 NE ARG A 78 -5.687 15.539 1.540 1.00 3.50 N ATOM 1214 CZ ARG A 78 -6.304 16.716 1.412 1.00 31.53 C ATOM 1215 NH1 ARG A 78 -6.444 17.527 2.454 1.00 24.01 N ATOM 1216 NH2 ARG A 78 -6.795 17.076 0.237 1.00 0.25 N ATOM 0 H ARG A 78 -2.294 13.070 -0.757 1.00 60.30 H new ATOM 0 HA ARG A 78 -1.899 12.512 2.085 1.00 1.21 H new ATOM 0 HB2 ARG A 78 -2.962 14.595 1.263 1.00 41.51 H new ATOM 0 HB3 ARG A 78 -4.206 13.652 0.467 1.00 41.51 H new ATOM 0 HG2 ARG A 78 -5.139 12.932 2.554 1.00 14.13 H new ATOM 0 HG3 ARG A 78 -3.748 13.497 3.459 1.00 14.13 H new ATOM 0 HD2 ARG A 78 -5.791 15.007 3.565 1.00 44.32 H new ATOM 0 HD3 ARG A 78 -4.302 15.800 3.092 1.00 44.32 H new ATOM 0 HE ARG A 78 -5.660 14.925 0.726 1.00 3.50 H new ATOM 0 HH11 ARG A 78 -6.078 17.253 3.366 1.00 24.01 H new ATOM 0 HH12 ARG A 78 -6.917 18.424 2.342 1.00 24.01 H new ATOM 0 HH21 ARG A 78 -6.701 16.455 -0.567 1.00 0.25 H new ATOM 0 HH22 ARG A 78 -7.267 17.974 0.135 1.00 0.25 H new ATOM 1230 N LEU A 79 -3.073 10.393 2.342 1.00 14.11 N ATOM 1231 CA LEU A 79 -3.614 9.039 2.497 1.00 44.31 C ATOM 1232 C LEU A 79 -5.125 8.983 2.269 1.00 74.31 C ATOM 1233 O LEU A 79 -5.607 8.254 1.406 1.00 24.23 O ATOM 1234 CB LEU A 79 -3.293 8.514 3.899 1.00 11.00 C ATOM 1235 CG LEU A 79 -1.804 8.423 4.239 1.00 52.03 C ATOM 1236 CD1 LEU A 79 -1.615 8.079 5.709 1.00 53.12 C ATOM 1237 CD2 LEU A 79 -1.121 7.389 3.359 1.00 13.33 C ATOM 0 H LEU A 79 -2.490 10.694 3.123 1.00 14.11 H new ATOM 0 HA LEU A 79 -3.144 8.414 1.738 1.00 44.31 H new ATOM 0 HB2 LEU A 79 -3.777 9.161 4.631 1.00 11.00 H new ATOM 0 HB3 LEU A 79 -3.735 7.523 4.008 1.00 11.00 H new ATOM 0 HG LEU A 79 -1.346 9.394 4.050 1.00 52.03 H new ATOM 0 HD11 LEU A 79 -0.550 8.018 5.934 1.00 53.12 H new ATOM 0 HD12 LEU A 79 -2.073 8.853 6.325 1.00 53.12 H new ATOM 0 HD13 LEU A 79 -2.086 7.119 5.922 1.00 53.12 H new ATOM 0 HD21 LEU A 79 -0.062 7.337 3.614 1.00 13.33 H new ATOM 0 HD22 LEU A 79 -1.581 6.414 3.519 1.00 13.33 H new ATOM 0 HD23 LEU A 79 -1.229 7.674 2.312 1.00 13.33 H new ATOM 1249 N TYR A 80 -5.861 9.770 3.039 1.00 15.10 N ATOM 1250 CA TYR A 80 -7.321 9.767 2.984 1.00 64.51 C ATOM 1251 C TYR A 80 -7.843 10.726 1.912 1.00 13.35 C ATOM 1252 O TYR A 80 -8.878 11.367 2.088 1.00 12.11 O ATOM 1253 CB TYR A 80 -7.899 10.133 4.359 1.00 70.52 C ATOM 1254 CG TYR A 80 -7.220 11.319 5.016 1.00 33.44 C ATOM 1255 CD1 TYR A 80 -6.092 11.139 5.807 1.00 4.34 C ATOM 1256 CD2 TYR A 80 -7.700 12.613 4.843 1.00 23.13 C ATOM 1257 CE1 TYR A 80 -5.461 12.209 6.406 1.00 44.12 C ATOM 1258 CE2 TYR A 80 -7.072 13.688 5.442 1.00 71.21 C ATOM 1259 CZ TYR A 80 -5.952 13.479 6.219 1.00 15.32 C ATOM 1260 OH TYR A 80 -5.321 14.545 6.810 1.00 14.55 O ATOM 0 H TYR A 80 -5.470 10.425 3.716 1.00 15.10 H new ATOM 0 HA TYR A 80 -7.647 8.762 2.715 1.00 64.51 H new ATOM 0 HB2 TYR A 80 -8.961 10.350 4.249 1.00 70.52 H new ATOM 0 HB3 TYR A 80 -7.817 9.269 5.018 1.00 70.52 H new ATOM 0 HD1 TYR A 80 -5.702 10.143 5.955 1.00 4.34 H new ATOM 0 HD2 TYR A 80 -8.575 12.780 4.232 1.00 23.13 H new ATOM 0 HE1 TYR A 80 -4.586 12.050 7.019 1.00 44.12 H new ATOM 0 HE2 TYR A 80 -7.456 14.688 5.302 1.00 71.21 H new ATOM 0 HH TYR A 80 -5.956 15.284 6.914 1.00 14.55 H new ATOM 1270 N ASP A 81 -7.137 10.804 0.794 1.00 72.12 N ATOM 1271 CA ASP A 81 -7.535 11.692 -0.293 1.00 75.01 C ATOM 1272 C ASP A 81 -7.101 11.124 -1.636 1.00 35.14 C ATOM 1273 O ASP A 81 -7.901 11.019 -2.564 1.00 12.12 O ATOM 1274 CB ASP A 81 -6.935 13.082 -0.084 1.00 13.41 C ATOM 1275 CG ASP A 81 -7.465 14.107 -1.068 1.00 32.23 C ATOM 1276 OD1 ASP A 81 -8.688 14.121 -1.318 1.00 11.02 O ATOM 1277 OD2 ASP A 81 -6.662 14.929 -1.559 1.00 32.31 O ATOM 0 H ASP A 81 -6.289 10.267 0.614 1.00 72.12 H new ATOM 0 HA ASP A 81 -8.622 11.775 -0.292 1.00 75.01 H new ATOM 0 HB2 ASP A 81 -7.149 13.416 0.931 1.00 13.41 H new ATOM 0 HB3 ASP A 81 -5.851 13.022 -0.178 1.00 13.41 H new ATOM 1282 N GLY A 82 -5.831 10.759 -1.731 1.00 75.33 N ATOM 1283 CA GLY A 82 -5.324 10.132 -2.935 1.00 51.21 C ATOM 1284 C GLY A 82 -4.499 11.070 -3.793 1.00 70.03 C ATOM 1285 O GLY A 82 -3.632 10.631 -4.549 1.00 72.54 O ATOM 0 H GLY A 82 -5.139 10.886 -0.992 1.00 75.33 H new ATOM 0 HA2 GLY A 82 -4.715 9.271 -2.660 1.00 51.21 H new ATOM 0 HA3 GLY A 82 -6.162 9.755 -3.522 1.00 51.21 H new ATOM 1289 N PHE A 83 -4.762 12.362 -3.675 1.00 31.44 N ATOM 1290 CA PHE A 83 -4.080 13.353 -4.497 1.00 15.44 C ATOM 1291 C PHE A 83 -2.750 13.760 -3.870 1.00 61.41 C ATOM 1292 O PHE A 83 -2.613 13.790 -2.645 1.00 74.12 O ATOM 1293 CB PHE A 83 -4.982 14.567 -4.711 1.00 53.21 C ATOM 1294 CG PHE A 83 -6.292 14.207 -5.355 1.00 51.45 C ATOM 1295 CD1 PHE A 83 -6.347 13.846 -6.692 1.00 2.41 C ATOM 1296 CD2 PHE A 83 -7.464 14.215 -4.618 1.00 64.21 C ATOM 1297 CE1 PHE A 83 -7.549 13.498 -7.281 1.00 24.21 C ATOM 1298 CE2 PHE A 83 -8.669 13.871 -5.200 1.00 51.23 C ATOM 1299 CZ PHE A 83 -8.712 13.513 -6.533 1.00 45.10 C ATOM 0 H PHE A 83 -5.441 12.750 -3.020 1.00 31.44 H new ATOM 0 HA PHE A 83 -3.863 12.909 -5.469 1.00 15.44 H new ATOM 0 HB2 PHE A 83 -5.173 15.047 -3.751 1.00 53.21 H new ATOM 0 HB3 PHE A 83 -4.463 15.295 -5.334 1.00 53.21 H new ATOM 0 HD1 PHE A 83 -5.441 13.836 -7.280 1.00 2.41 H new ATOM 0 HD2 PHE A 83 -7.436 14.494 -3.575 1.00 64.21 H new ATOM 0 HE1 PHE A 83 -7.579 13.215 -8.323 1.00 24.21 H new ATOM 0 HE2 PHE A 83 -9.576 13.882 -4.613 1.00 51.23 H new ATOM 0 HZ PHE A 83 -9.653 13.245 -6.991 1.00 45.10 H new ATOM 1309 N CYS A 84 -1.779 14.081 -4.720 1.00 32.40 N ATOM 1310 CA CYS A 84 -0.407 14.307 -4.281 1.00 30.55 C ATOM 1311 C CYS A 84 -0.075 15.799 -4.203 1.00 41.52 C ATOM 1312 O CYS A 84 0.982 16.234 -4.672 1.00 11.34 O ATOM 1313 CB CYS A 84 0.552 13.614 -5.247 1.00 41.24 C ATOM 1314 SG CYS A 84 -0.055 12.031 -5.880 1.00 32.51 S ATOM 0 H CYS A 84 -1.920 14.191 -5.724 1.00 32.40 H new ATOM 0 HA CYS A 84 -0.298 13.891 -3.279 1.00 30.55 H new ATOM 0 HB2 CYS A 84 0.747 14.279 -6.088 1.00 41.24 H new ATOM 0 HB3 CYS A 84 1.504 13.451 -4.742 1.00 41.24 H new ATOM 0 HG CYS A 84 0.941 11.341 -6.349 1.00 32.51 H new ATOM 1320 N LEU A 85 -0.971 16.566 -3.586 1.00 24.53 N ATOM 1321 CA LEU A 85 -0.780 18.005 -3.380 1.00 43.23 C ATOM 1322 C LEU A 85 -0.560 18.753 -4.700 1.00 21.05 C ATOM 1323 O LEU A 85 -1.515 19.094 -5.394 1.00 50.23 O ATOM 1324 CB LEU A 85 0.389 18.265 -2.416 1.00 24.03 C ATOM 1325 CG LEU A 85 0.613 19.733 -2.036 1.00 31.44 C ATOM 1326 CD1 LEU A 85 -0.599 20.289 -1.304 1.00 32.11 C ATOM 1327 CD2 LEU A 85 1.865 19.876 -1.183 1.00 25.45 C ATOM 0 H LEU A 85 -1.851 16.210 -3.214 1.00 24.53 H new ATOM 0 HA LEU A 85 -1.698 18.390 -2.936 1.00 43.23 H new ATOM 0 HB2 LEU A 85 0.220 17.693 -1.504 1.00 24.03 H new ATOM 0 HB3 LEU A 85 1.303 17.881 -2.868 1.00 24.03 H new ATOM 0 HG LEU A 85 0.752 20.308 -2.952 1.00 31.44 H new ATOM 0 HD11 LEU A 85 -0.420 21.332 -1.043 1.00 32.11 H new ATOM 0 HD12 LEU A 85 -1.476 20.222 -1.948 1.00 32.11 H new ATOM 0 HD13 LEU A 85 -0.771 19.712 -0.395 1.00 32.11 H new ATOM 0 HD21 LEU A 85 2.010 20.924 -0.922 1.00 25.45 H new ATOM 0 HD22 LEU A 85 1.754 19.287 -0.272 1.00 25.45 H new ATOM 0 HD23 LEU A 85 2.729 19.519 -1.743 1.00 25.45 H new ATOM 1339 N GLU A 86 0.701 18.981 -5.051 1.00 71.32 N ATOM 1340 CA GLU A 86 1.039 19.789 -6.218 1.00 74.22 C ATOM 1341 C GLU A 86 1.561 18.927 -7.357 1.00 34.45 C ATOM 1342 O GLU A 86 1.424 19.282 -8.526 1.00 54.01 O ATOM 1343 CB GLU A 86 2.078 20.849 -5.847 1.00 4.41 C ATOM 1344 CG GLU A 86 1.524 21.969 -4.979 1.00 41.22 C ATOM 1345 CD GLU A 86 0.629 22.922 -5.747 1.00 55.23 C ATOM 1346 OE1 GLU A 86 -0.507 22.539 -6.099 1.00 14.24 O ATOM 1347 OE2 GLU A 86 1.056 24.069 -5.999 1.00 44.12 O ATOM 0 H GLU A 86 1.507 18.617 -4.543 1.00 71.32 H new ATOM 0 HA GLU A 86 0.128 20.282 -6.556 1.00 74.22 H new ATOM 0 HB2 GLU A 86 2.903 20.368 -5.322 1.00 4.41 H new ATOM 0 HB3 GLU A 86 2.489 21.278 -6.761 1.00 4.41 H new ATOM 0 HG2 GLU A 86 0.961 21.536 -4.152 1.00 41.22 H new ATOM 0 HG3 GLU A 86 2.352 22.528 -4.543 1.00 41.22 H new ATOM 1354 N ASP A 87 2.161 17.796 -7.019 1.00 64.32 N ATOM 1355 CA ASP A 87 2.683 16.883 -8.028 1.00 73.32 C ATOM 1356 C ASP A 87 1.846 15.614 -8.035 1.00 72.52 C ATOM 1357 O ASP A 87 2.250 14.577 -7.517 1.00 32.02 O ATOM 1358 CB ASP A 87 4.160 16.566 -7.763 1.00 43.14 C ATOM 1359 CG ASP A 87 4.777 15.686 -8.834 1.00 43.23 C ATOM 1360 OD1 ASP A 87 4.833 16.113 -10.005 1.00 51.32 O ATOM 1361 OD2 ASP A 87 5.237 14.573 -8.505 1.00 44.00 O ATOM 0 H ASP A 87 2.299 17.488 -6.057 1.00 64.32 H new ATOM 0 HA ASP A 87 2.621 17.356 -9.008 1.00 73.32 H new ATOM 0 HB2 ASP A 87 4.721 17.499 -7.699 1.00 43.14 H new ATOM 0 HB3 ASP A 87 4.252 16.071 -6.796 1.00 43.14 H new ATOM 1366 N GLY A 88 0.657 15.721 -8.607 1.00 51.51 N ATOM 1367 CA GLY A 88 -0.313 14.647 -8.517 1.00 1.13 C ATOM 1368 C GLY A 88 -0.188 13.634 -9.632 1.00 13.51 C ATOM 1369 O GLY A 88 -1.109 13.462 -10.432 1.00 74.34 O ATOM 0 H GLY A 88 0.344 16.536 -9.135 1.00 51.51 H new ATOM 0 HA2 GLY A 88 -0.195 14.140 -7.560 1.00 1.13 H new ATOM 0 HA3 GLY A 88 -1.317 15.071 -8.532 1.00 1.13 H new ATOM 1373 N ALA A 89 0.943 12.953 -9.676 1.00 4.00 N ATOM 1374 CA ALA A 89 1.168 11.926 -10.681 1.00 20.23 C ATOM 1375 C ALA A 89 0.488 10.623 -10.277 1.00 51.53 C ATOM 1376 O ALA A 89 -0.381 10.117 -10.987 1.00 50.32 O ATOM 1377 CB ALA A 89 2.654 11.703 -10.903 1.00 32.10 C ATOM 0 H ALA A 89 1.720 13.091 -9.029 1.00 4.00 H new ATOM 0 HA ALA A 89 0.731 12.268 -11.619 1.00 20.23 H new ATOM 0 HB1 ALA A 89 2.797 10.931 -11.659 1.00 32.10 H new ATOM 0 HB2 ALA A 89 3.115 12.631 -11.241 1.00 32.10 H new ATOM 0 HB3 ALA A 89 3.118 11.387 -9.969 1.00 32.10 H new ATOM 1383 N TYR A 90 0.870 10.094 -9.120 1.00 53.14 N ATOM 1384 CA TYR A 90 0.305 8.846 -8.631 1.00 31.14 C ATOM 1385 C TYR A 90 -0.923 9.120 -7.783 1.00 33.22 C ATOM 1386 O TYR A 90 -0.877 9.053 -6.556 1.00 60.04 O ATOM 1387 CB TYR A 90 1.341 8.051 -7.831 1.00 52.35 C ATOM 1388 CG TYR A 90 2.439 7.454 -8.681 1.00 65.13 C ATOM 1389 CD1 TYR A 90 3.407 8.254 -9.276 1.00 13.23 C ATOM 1390 CD2 TYR A 90 2.505 6.083 -8.891 1.00 22.23 C ATOM 1391 CE1 TYR A 90 4.404 7.706 -10.057 1.00 4.33 C ATOM 1392 CE2 TYR A 90 3.500 5.528 -9.668 1.00 64.22 C ATOM 1393 CZ TYR A 90 4.447 6.342 -10.247 1.00 30.13 C ATOM 1394 OH TYR A 90 5.448 5.789 -11.016 1.00 42.43 O ATOM 0 H TYR A 90 1.568 10.511 -8.505 1.00 53.14 H new ATOM 0 HA TYR A 90 0.010 8.246 -9.492 1.00 31.14 H new ATOM 0 HB2 TYR A 90 1.788 8.705 -7.082 1.00 52.35 H new ATOM 0 HB3 TYR A 90 0.834 7.250 -7.293 1.00 52.35 H new ATOM 0 HD1 TYR A 90 3.379 9.323 -9.125 1.00 13.23 H new ATOM 0 HD2 TYR A 90 1.765 5.440 -8.438 1.00 22.23 H new ATOM 0 HE1 TYR A 90 5.146 8.342 -10.516 1.00 4.33 H new ATOM 0 HE2 TYR A 90 3.536 4.460 -9.822 1.00 64.22 H new ATOM 0 HH TYR A 90 5.335 4.816 -11.049 1.00 42.43 H new ATOM 1404 N SER A 91 -2.009 9.475 -8.451 1.00 3.20 N ATOM 1405 CA SER A 91 -3.272 9.711 -7.778 1.00 24.41 C ATOM 1406 C SER A 91 -3.879 8.378 -7.343 1.00 35.21 C ATOM 1407 O SER A 91 -4.452 7.652 -8.155 1.00 10.44 O ATOM 1408 CB SER A 91 -4.226 10.460 -8.709 1.00 44.01 C ATOM 1409 OG SER A 91 -3.585 11.594 -9.284 1.00 62.41 O ATOM 0 H SER A 91 -2.039 9.606 -9.462 1.00 3.20 H new ATOM 0 HA SER A 91 -3.103 10.324 -6.892 1.00 24.41 H new ATOM 0 HB2 SER A 91 -4.570 9.792 -9.499 1.00 44.01 H new ATOM 0 HB3 SER A 91 -5.108 10.778 -8.154 1.00 44.01 H new ATOM 0 HG SER A 91 -4.212 12.058 -9.877 1.00 62.41 H new ATOM 1415 N VAL A 92 -3.717 8.050 -6.069 1.00 21.12 N ATOM 1416 CA VAL A 92 -4.161 6.765 -5.548 1.00 1.20 C ATOM 1417 C VAL A 92 -5.608 6.835 -5.073 1.00 42.22 C ATOM 1418 O VAL A 92 -6.177 7.920 -4.945 1.00 53.11 O ATOM 1419 CB VAL A 92 -3.261 6.281 -4.387 1.00 13.25 C ATOM 1420 CG1 VAL A 92 -1.817 6.165 -4.849 1.00 40.22 C ATOM 1421 CG2 VAL A 92 -3.363 7.214 -3.187 1.00 4.24 C ATOM 0 H VAL A 92 -3.280 8.658 -5.376 1.00 21.12 H new ATOM 0 HA VAL A 92 -4.089 6.049 -6.367 1.00 1.20 H new ATOM 0 HB VAL A 92 -3.610 5.296 -4.077 1.00 13.25 H new ATOM 0 HG11 VAL A 92 -1.196 5.823 -4.021 1.00 40.22 H new ATOM 0 HG12 VAL A 92 -1.754 5.450 -5.669 1.00 40.22 H new ATOM 0 HG13 VAL A 92 -1.464 7.139 -5.189 1.00 40.22 H new ATOM 0 HG21 VAL A 92 -2.720 6.849 -2.386 1.00 4.24 H new ATOM 0 HG22 VAL A 92 -3.047 8.216 -3.477 1.00 4.24 H new ATOM 0 HG23 VAL A 92 -4.395 7.246 -2.837 1.00 4.24 H new ATOM 1431 N ALA A 93 -6.203 5.678 -4.820 1.00 31.22 N ATOM 1432 CA ALA A 93 -7.571 5.619 -4.343 1.00 40.41 C ATOM 1433 C ALA A 93 -7.613 5.134 -2.901 1.00 14.34 C ATOM 1434 O ALA A 93 -6.923 4.179 -2.533 1.00 24.52 O ATOM 1435 CB ALA A 93 -8.403 4.712 -5.234 1.00 1.02 C ATOM 0 H ALA A 93 -5.757 4.768 -4.938 1.00 31.22 H new ATOM 0 HA ALA A 93 -7.994 6.623 -4.380 1.00 40.41 H new ATOM 0 HB1 ALA A 93 -9.427 4.678 -4.863 1.00 1.02 H new ATOM 0 HB2 ALA A 93 -8.399 5.099 -6.253 1.00 1.02 H new ATOM 0 HB3 ALA A 93 -7.981 3.707 -5.226 1.00 1.02 H new ATOM 1441 N ALA A 94 -8.421 5.796 -2.092 1.00 31.15 N ATOM 1442 CA ALA A 94 -8.571 5.434 -0.696 1.00 23.01 C ATOM 1443 C ALA A 94 -9.799 4.555 -0.527 1.00 45.11 C ATOM 1444 O ALA A 94 -10.918 5.050 -0.383 1.00 33.50 O ATOM 1445 CB ALA A 94 -8.673 6.680 0.171 1.00 31.33 C ATOM 0 H ALA A 94 -8.987 6.593 -2.382 1.00 31.15 H new ATOM 0 HA ALA A 94 -7.692 4.875 -0.375 1.00 23.01 H new ATOM 0 HB1 ALA A 94 -8.785 6.388 1.215 1.00 31.33 H new ATOM 0 HB2 ALA A 94 -7.769 7.278 0.056 1.00 31.33 H new ATOM 0 HB3 ALA A 94 -9.538 7.267 -0.137 1.00 31.33 H new ATOM 1451 N TYR A 95 -9.579 3.252 -0.596 1.00 53.54 N ATOM 1452 CA TYR A 95 -10.658 2.277 -0.509 1.00 35.50 C ATOM 1453 C TYR A 95 -11.279 2.281 0.884 1.00 72.11 C ATOM 1454 O TYR A 95 -10.639 2.677 1.860 1.00 41.23 O ATOM 1455 CB TYR A 95 -10.137 0.873 -0.840 1.00 41.04 C ATOM 1456 CG TYR A 95 -9.301 0.813 -2.100 1.00 14.34 C ATOM 1457 CD1 TYR A 95 -9.833 1.179 -3.330 1.00 73.54 C ATOM 1458 CD2 TYR A 95 -7.979 0.396 -2.055 1.00 50.43 C ATOM 1459 CE1 TYR A 95 -9.067 1.132 -4.479 1.00 71.01 C ATOM 1460 CE2 TYR A 95 -7.208 0.347 -3.199 1.00 3.22 C ATOM 1461 CZ TYR A 95 -7.756 0.713 -4.406 1.00 14.01 C ATOM 1462 OH TYR A 95 -6.986 0.666 -5.546 1.00 3.23 O ATOM 0 H TYR A 95 -8.653 2.840 -0.713 1.00 53.54 H new ATOM 0 HA TYR A 95 -11.423 2.554 -1.234 1.00 35.50 H new ATOM 0 HB2 TYR A 95 -9.541 0.510 -0.002 1.00 41.04 H new ATOM 0 HB3 TYR A 95 -10.985 0.196 -0.945 1.00 41.04 H new ATOM 0 HD1 TYR A 95 -10.861 1.505 -3.389 1.00 73.54 H new ATOM 0 HD2 TYR A 95 -7.546 0.105 -1.110 1.00 50.43 H new ATOM 0 HE1 TYR A 95 -9.493 1.422 -5.428 1.00 71.01 H new ATOM 0 HE2 TYR A 95 -6.179 0.023 -3.146 1.00 3.22 H new ATOM 0 HH TYR A 95 -7.055 -0.224 -5.951 1.00 3.23 H new ATOM 1472 N ASP A 96 -12.525 1.845 0.972 1.00 50.51 N ATOM 1473 CA ASP A 96 -13.220 1.795 2.247 1.00 72.00 C ATOM 1474 C ASP A 96 -12.875 0.496 2.965 1.00 32.45 C ATOM 1475 O ASP A 96 -12.725 -0.552 2.332 1.00 63.04 O ATOM 1476 CB ASP A 96 -14.730 1.912 2.036 1.00 3.40 C ATOM 1477 CG ASP A 96 -15.474 2.309 3.297 1.00 64.21 C ATOM 1478 OD1 ASP A 96 -14.819 2.569 4.328 1.00 11.11 O ATOM 1479 OD2 ASP A 96 -16.723 2.388 3.252 1.00 31.13 O ATOM 0 H ASP A 96 -13.075 1.521 0.176 1.00 50.51 H new ATOM 0 HA ASP A 96 -12.900 2.635 2.864 1.00 72.00 H new ATOM 0 HB2 ASP A 96 -14.927 2.649 1.257 1.00 3.40 H new ATOM 0 HB3 ASP A 96 -15.117 0.958 1.677 1.00 3.40 H new ATOM 1484 N THR A 97 -12.741 0.570 4.278 1.00 25.00 N ATOM 1485 CA THR A 97 -12.292 -0.563 5.071 1.00 5.04 C ATOM 1486 C THR A 97 -13.159 -0.741 6.314 1.00 2.30 C ATOM 1487 O THR A 97 -13.528 0.237 6.965 1.00 13.23 O ATOM 1488 CB THR A 97 -10.825 -0.367 5.511 1.00 2.40 C ATOM 1489 OG1 THR A 97 -10.663 0.926 6.109 1.00 12.31 O ATOM 1490 CG2 THR A 97 -9.872 -0.501 4.335 1.00 65.44 C ATOM 0 H THR A 97 -12.938 1.410 4.822 1.00 25.00 H new ATOM 0 HA THR A 97 -12.374 -1.453 4.447 1.00 5.04 H new ATOM 0 HB THR A 97 -10.587 -1.144 6.237 1.00 2.40 H new ATOM 0 HG1 THR A 97 -9.731 1.043 6.387 1.00 12.31 H new ATOM 0 HG21 THR A 97 -8.848 -0.358 4.679 1.00 65.44 H new ATOM 0 HG22 THR A 97 -9.972 -1.494 3.897 1.00 65.44 H new ATOM 0 HG23 THR A 97 -10.112 0.252 3.585 1.00 65.44 H new ATOM 1498 N GLN A 98 -13.500 -1.981 6.636 1.00 14.21 N ATOM 1499 CA GLN A 98 -14.214 -2.266 7.872 1.00 63.04 C ATOM 1500 C GLN A 98 -13.279 -2.885 8.898 1.00 13.43 C ATOM 1501 O GLN A 98 -12.390 -3.669 8.553 1.00 3.42 O ATOM 1502 CB GLN A 98 -15.384 -3.223 7.651 1.00 0.01 C ATOM 1503 CG GLN A 98 -16.472 -2.703 6.731 1.00 53.13 C ATOM 1504 CD GLN A 98 -17.693 -3.602 6.738 1.00 24.41 C ATOM 1505 OE1 GLN A 98 -17.782 -4.555 5.970 1.00 42.54 O ATOM 1506 NE2 GLN A 98 -18.643 -3.307 7.611 1.00 42.43 N ATOM 0 H GLN A 98 -13.296 -2.800 6.063 1.00 14.21 H new ATOM 0 HA GLN A 98 -14.600 -1.313 8.234 1.00 63.04 H new ATOM 0 HB2 GLN A 98 -14.998 -4.156 7.241 1.00 0.01 H new ATOM 0 HB3 GLN A 98 -15.829 -3.459 8.618 1.00 0.01 H new ATOM 0 HG2 GLN A 98 -16.759 -1.698 7.040 1.00 53.13 H new ATOM 0 HG3 GLN A 98 -16.083 -2.626 5.716 1.00 53.13 H new ATOM 0 HE21 GLN A 98 -18.533 -2.506 8.233 1.00 42.43 H new ATOM 0 HE22 GLN A 98 -19.485 -3.880 7.661 1.00 42.43 H new ATOM 1515 N VAL A 99 -13.495 -2.537 10.155 1.00 11.25 N ATOM 1516 CA VAL A 99 -12.788 -3.172 11.253 1.00 11.24 C ATOM 1517 C VAL A 99 -13.705 -4.223 11.865 1.00 1.43 C ATOM 1518 O VAL A 99 -14.341 -4.003 12.898 1.00 41.33 O ATOM 1519 CB VAL A 99 -12.348 -2.156 12.333 1.00 62.03 C ATOM 1520 CG1 VAL A 99 -11.489 -2.830 13.393 1.00 74.10 C ATOM 1521 CG2 VAL A 99 -11.601 -0.986 11.702 1.00 13.30 C ATOM 0 H VAL A 99 -14.157 -1.815 10.441 1.00 11.25 H new ATOM 0 HA VAL A 99 -11.878 -3.629 10.864 1.00 11.24 H new ATOM 0 HB VAL A 99 -13.245 -1.769 12.817 1.00 62.03 H new ATOM 0 HG11 VAL A 99 -11.192 -2.095 14.142 1.00 74.10 H new ATOM 0 HG12 VAL A 99 -12.060 -3.626 13.872 1.00 74.10 H new ATOM 0 HG13 VAL A 99 -10.599 -3.252 12.926 1.00 74.10 H new ATOM 0 HG21 VAL A 99 -11.301 -0.284 12.480 1.00 13.30 H new ATOM 0 HG22 VAL A 99 -10.715 -1.356 11.186 1.00 13.30 H new ATOM 0 HG23 VAL A 99 -12.252 -0.481 10.989 1.00 13.30 H new ATOM 1531 N THR A 100 -13.813 -5.346 11.178 1.00 60.35 N ATOM 1532 CA THR A 100 -14.745 -6.395 11.550 1.00 14.13 C ATOM 1533 C THR A 100 -14.257 -7.182 12.757 1.00 63.14 C ATOM 1534 O THR A 100 -15.050 -7.632 13.585 1.00 12.11 O ATOM 1535 CB THR A 100 -14.977 -7.337 10.357 1.00 2.20 C ATOM 1536 OG1 THR A 100 -13.751 -7.500 9.626 1.00 1.02 O ATOM 1537 CG2 THR A 100 -16.052 -6.782 9.435 1.00 42.24 C ATOM 0 H THR A 100 -13.258 -5.556 10.348 1.00 60.35 H new ATOM 0 HA THR A 100 -15.687 -5.922 11.827 1.00 14.13 H new ATOM 0 HB THR A 100 -15.310 -8.303 10.736 1.00 2.20 H new ATOM 0 HG1 THR A 100 -13.100 -7.977 10.182 1.00 1.02 H new ATOM 0 HG21 THR A 100 -16.201 -7.464 8.598 1.00 42.24 H new ATOM 0 HG22 THR A 100 -16.986 -6.677 9.987 1.00 42.24 H new ATOM 0 HG23 THR A 100 -15.741 -5.807 9.059 1.00 42.24 H new ATOM 1545 N ASN A 101 -12.952 -7.313 12.863 1.00 2.13 N ATOM 1546 CA ASN A 101 -12.334 -8.070 13.940 1.00 72.41 C ATOM 1547 C ASN A 101 -10.857 -7.700 13.985 1.00 34.25 C ATOM 1548 O ASN A 101 -10.502 -6.568 13.664 1.00 0.04 O ATOM 1549 CB ASN A 101 -12.513 -9.578 13.693 1.00 35.23 C ATOM 1550 CG ASN A 101 -12.362 -10.410 14.954 1.00 2.20 C ATOM 1551 OD1 ASN A 101 -11.257 -10.824 15.314 1.00 12.42 O ATOM 1552 ND2 ASN A 101 -13.470 -10.667 15.626 1.00 55.11 N ATOM 0 H ASN A 101 -12.287 -6.900 12.209 1.00 2.13 H new ATOM 0 HA ASN A 101 -12.803 -7.833 14.895 1.00 72.41 H new ATOM 0 HB2 ASN A 101 -13.499 -9.755 13.264 1.00 35.23 H new ATOM 0 HB3 ASN A 101 -11.781 -9.909 12.957 1.00 35.23 H new ATOM 0 HD21 ASN A 101 -13.432 -11.227 16.478 1.00 55.11 H new ATOM 0 HD22 ASN A 101 -14.364 -10.305 15.293 1.00 55.11 H new ATOM 1559 N GLY A 102 -9.997 -8.639 14.351 1.00 42.12 N ATOM 1560 CA GLY A 102 -8.567 -8.401 14.285 1.00 34.54 C ATOM 1561 C GLY A 102 -8.054 -8.527 12.863 1.00 5.40 C ATOM 1562 O GLY A 102 -6.944 -9.007 12.629 1.00 30.45 O ATOM 0 H GLY A 102 -10.263 -9.563 14.693 1.00 42.12 H new ATOM 0 HA2 GLY A 102 -8.344 -7.405 14.668 1.00 34.54 H new ATOM 0 HA3 GLY A 102 -8.047 -9.113 14.926 1.00 34.54 H new ATOM 1566 N ASN A 103 -8.865 -8.077 11.918 1.00 11.31 N ATOM 1567 CA ASN A 103 -8.575 -8.206 10.500 1.00 24.22 C ATOM 1568 C ASN A 103 -9.108 -6.994 9.744 1.00 55.00 C ATOM 1569 O ASN A 103 -9.935 -6.246 10.265 1.00 72.23 O ATOM 1570 CB ASN A 103 -9.181 -9.503 9.934 1.00 74.15 C ATOM 1571 CG ASN A 103 -10.656 -9.689 10.277 1.00 25.11 C ATOM 1572 OD1 ASN A 103 -11.409 -8.729 10.434 1.00 43.22 O ATOM 1573 ND2 ASN A 103 -11.073 -10.938 10.398 1.00 31.21 N ATOM 0 H ASN A 103 -9.749 -7.609 12.116 1.00 11.31 H new ATOM 0 HA ASN A 103 -7.494 -8.253 10.371 1.00 24.22 H new ATOM 0 HB2 ASN A 103 -9.066 -9.505 8.850 1.00 74.15 H new ATOM 0 HB3 ASN A 103 -8.618 -10.354 10.316 1.00 74.15 H new ATOM 0 HD21 ASN A 103 -12.048 -11.130 10.629 1.00 31.21 H new ATOM 0 HD22 ASN A 103 -10.420 -11.709 10.261 1.00 31.21 H new ATOM 1580 N VAL A 104 -8.629 -6.803 8.524 1.00 4.23 N ATOM 1581 CA VAL A 104 -9.031 -5.663 7.715 1.00 30.31 C ATOM 1582 C VAL A 104 -9.761 -6.130 6.462 1.00 20.45 C ATOM 1583 O VAL A 104 -9.243 -6.956 5.707 1.00 23.51 O ATOM 1584 CB VAL A 104 -7.814 -4.805 7.297 1.00 72.14 C ATOM 1585 CG1 VAL A 104 -8.261 -3.573 6.525 1.00 64.21 C ATOM 1586 CG2 VAL A 104 -6.988 -4.406 8.510 1.00 34.34 C ATOM 0 H VAL A 104 -7.959 -7.425 8.072 1.00 4.23 H new ATOM 0 HA VAL A 104 -9.696 -5.053 8.326 1.00 30.31 H new ATOM 0 HB VAL A 104 -7.186 -5.410 6.643 1.00 72.14 H new ATOM 0 HG11 VAL A 104 -7.388 -2.985 6.241 1.00 64.21 H new ATOM 0 HG12 VAL A 104 -8.798 -3.881 5.628 1.00 64.21 H new ATOM 0 HG13 VAL A 104 -8.917 -2.969 7.152 1.00 64.21 H new ATOM 0 HG21 VAL A 104 -6.138 -3.803 8.189 1.00 34.34 H new ATOM 0 HG22 VAL A 104 -7.606 -3.826 9.196 1.00 34.34 H new ATOM 0 HG23 VAL A 104 -6.627 -5.302 9.015 1.00 34.34 H new ATOM 1596 N GLN A 105 -10.963 -5.616 6.253 1.00 22.34 N ATOM 1597 CA GLN A 105 -11.728 -5.937 5.056 1.00 14.11 C ATOM 1598 C GLN A 105 -11.964 -4.682 4.231 1.00 23.04 C ATOM 1599 O GLN A 105 -12.598 -3.735 4.698 1.00 43.42 O ATOM 1600 CB GLN A 105 -13.066 -6.581 5.420 1.00 12.32 C ATOM 1601 CG GLN A 105 -12.926 -7.878 6.198 1.00 53.45 C ATOM 1602 CD GLN A 105 -14.247 -8.596 6.384 1.00 64.13 C ATOM 1603 OE1 GLN A 105 -14.284 -9.821 6.479 1.00 74.33 O ATOM 1604 NE2 GLN A 105 -15.337 -7.846 6.432 1.00 33.03 N ATOM 0 H GLN A 105 -11.430 -4.976 6.895 1.00 22.34 H new ATOM 0 HA GLN A 105 -11.152 -6.650 4.466 1.00 14.11 H new ATOM 0 HB2 GLN A 105 -13.651 -5.875 6.010 1.00 12.32 H new ATOM 0 HB3 GLN A 105 -13.627 -6.774 4.506 1.00 12.32 H new ATOM 0 HG2 GLN A 105 -12.230 -8.536 5.677 1.00 53.45 H new ATOM 0 HG3 GLN A 105 -12.492 -7.665 7.175 1.00 53.45 H new ATOM 0 HE21 GLN A 105 -15.262 -6.832 6.349 1.00 33.03 H new ATOM 0 HE22 GLN A 105 -16.251 -8.282 6.552 1.00 33.03 H new ATOM 1613 N ILE A 106 -11.437 -4.670 3.014 1.00 44.14 N ATOM 1614 CA ILE A 106 -11.610 -3.537 2.118 1.00 0.40 C ATOM 1615 C ILE A 106 -12.770 -3.792 1.164 1.00 41.05 C ATOM 1616 O ILE A 106 -13.095 -4.943 0.867 1.00 3.52 O ATOM 1617 CB ILE A 106 -10.332 -3.216 1.293 1.00 3.55 C ATOM 1618 CG1 ILE A 106 -10.102 -4.237 0.161 1.00 23.20 C ATOM 1619 CG2 ILE A 106 -9.115 -3.152 2.204 1.00 41.13 C ATOM 1620 CD1 ILE A 106 -9.668 -5.614 0.625 1.00 21.00 C ATOM 0 H ILE A 106 -10.885 -5.434 2.625 1.00 44.14 H new ATOM 0 HA ILE A 106 -11.820 -2.674 2.749 1.00 0.40 H new ATOM 0 HB ILE A 106 -10.482 -2.242 0.827 1.00 3.55 H new ATOM 0 HG12 ILE A 106 -11.024 -4.336 -0.413 1.00 23.20 H new ATOM 0 HG13 ILE A 106 -9.345 -3.842 -0.517 1.00 23.20 H new ATOM 0 HG21 ILE A 106 -8.228 -2.926 1.611 1.00 41.13 H new ATOM 0 HG22 ILE A 106 -9.260 -2.372 2.951 1.00 41.13 H new ATOM 0 HG23 ILE A 106 -8.983 -4.112 2.703 1.00 41.13 H new ATOM 0 HD11 ILE A 106 -9.531 -6.263 -0.240 1.00 21.00 H new ATOM 0 HD12 ILE A 106 -8.728 -5.534 1.172 1.00 21.00 H new ATOM 0 HD13 ILE A 106 -10.433 -6.036 1.277 1.00 21.00 H new ATOM 1632 N SER A 107 -13.405 -2.728 0.708 1.00 54.15 N ATOM 1633 CA SER A 107 -14.478 -2.851 -0.256 1.00 62.53 C ATOM 1634 C SER A 107 -13.900 -2.841 -1.663 1.00 10.51 C ATOM 1635 O SER A 107 -13.152 -1.931 -2.032 1.00 22.30 O ATOM 1636 CB SER A 107 -15.490 -1.715 -0.086 1.00 44.30 C ATOM 1637 OG SER A 107 -16.683 -1.982 -0.804 1.00 74.33 O ATOM 0 H SER A 107 -13.195 -1.771 0.991 1.00 54.15 H new ATOM 0 HA SER A 107 -14.998 -3.794 -0.089 1.00 62.53 H new ATOM 0 HB2 SER A 107 -15.720 -1.584 0.971 1.00 44.30 H new ATOM 0 HB3 SER A 107 -15.053 -0.779 -0.436 1.00 44.30 H new ATOM 0 HG SER A 107 -17.313 -1.242 -0.678 1.00 74.33 H new ATOM 1643 N ILE A 108 -14.227 -3.866 -2.434 1.00 44.14 N ATOM 1644 CA ILE A 108 -13.724 -3.994 -3.790 1.00 22.44 C ATOM 1645 C ILE A 108 -14.328 -2.931 -4.700 1.00 13.12 C ATOM 1646 O ILE A 108 -15.453 -3.076 -5.186 1.00 22.15 O ATOM 1647 CB ILE A 108 -14.017 -5.389 -4.386 1.00 13.12 C ATOM 1648 CG1 ILE A 108 -13.470 -6.490 -3.472 1.00 41.43 C ATOM 1649 CG2 ILE A 108 -13.408 -5.506 -5.780 1.00 24.25 C ATOM 1650 CD1 ILE A 108 -13.787 -7.890 -3.953 1.00 44.41 C ATOM 0 H ILE A 108 -14.842 -4.625 -2.140 1.00 44.14 H new ATOM 0 HA ILE A 108 -12.644 -3.858 -3.733 1.00 22.44 H new ATOM 0 HB ILE A 108 -15.097 -5.512 -4.464 1.00 13.12 H new ATOM 0 HG12 ILE A 108 -12.389 -6.379 -3.390 1.00 41.43 H new ATOM 0 HG13 ILE A 108 -13.881 -6.357 -2.471 1.00 41.43 H new ATOM 0 HG21 ILE A 108 -13.622 -6.494 -6.189 1.00 24.25 H new ATOM 0 HG22 ILE A 108 -13.838 -4.744 -6.430 1.00 24.25 H new ATOM 0 HG23 ILE A 108 -12.329 -5.364 -5.719 1.00 24.25 H new ATOM 0 HD11 ILE A 108 -13.369 -8.617 -3.257 1.00 44.41 H new ATOM 0 HD12 ILE A 108 -14.868 -8.020 -4.008 1.00 44.41 H new ATOM 0 HD13 ILE A 108 -13.353 -8.042 -4.941 1.00 44.41 H new ATOM 1662 N ALA A 109 -13.599 -1.845 -4.889 1.00 43.41 N ATOM 1663 CA ALA A 109 -13.953 -0.863 -5.892 1.00 44.45 C ATOM 1664 C ALA A 109 -13.469 -1.359 -7.243 1.00 51.22 C ATOM 1665 O ALA A 109 -12.395 -1.957 -7.335 1.00 54.54 O ATOM 1666 CB ALA A 109 -13.343 0.491 -5.557 1.00 12.32 C ATOM 0 H ALA A 109 -12.757 -1.623 -4.358 1.00 43.41 H new ATOM 0 HA ALA A 109 -15.035 -0.733 -5.918 1.00 44.45 H new ATOM 0 HB1 ALA A 109 -13.621 1.215 -6.323 1.00 12.32 H new ATOM 0 HB2 ALA A 109 -13.713 0.827 -4.589 1.00 12.32 H new ATOM 0 HB3 ALA A 109 -12.257 0.402 -5.519 1.00 12.32 H new ATOM 1672 N ASP A 110 -14.253 -1.148 -8.284 1.00 54.33 N ATOM 1673 CA ASP A 110 -13.881 -1.657 -9.592 1.00 23.14 C ATOM 1674 C ASP A 110 -12.770 -0.808 -10.181 1.00 12.13 C ATOM 1675 O ASP A 110 -12.756 0.417 -10.044 1.00 5.21 O ATOM 1676 CB ASP A 110 -15.076 -1.709 -10.548 1.00 65.32 C ATOM 1677 CG ASP A 110 -15.425 -0.361 -11.145 1.00 72.54 C ATOM 1678 OD1 ASP A 110 -16.054 0.462 -10.450 1.00 3.41 O ATOM 1679 OD2 ASP A 110 -15.081 -0.124 -12.325 1.00 72.55 O ATOM 0 H ASP A 110 -15.136 -0.638 -8.253 1.00 54.33 H new ATOM 0 HA ASP A 110 -13.526 -2.679 -9.462 1.00 23.14 H new ATOM 0 HB2 ASP A 110 -14.858 -2.410 -11.354 1.00 65.32 H new ATOM 0 HB3 ASP A 110 -15.943 -2.098 -10.014 1.00 65.32 H new ATOM 1684 N SER A 111 -11.825 -1.474 -10.805 1.00 73.54 N ATOM 1685 CA SER A 111 -10.703 -0.813 -11.432 1.00 33.41 C ATOM 1686 C SER A 111 -10.214 -1.665 -12.587 1.00 54.21 C ATOM 1687 O SER A 111 -9.422 -2.589 -12.399 1.00 31.43 O ATOM 1688 CB SER A 111 -9.573 -0.578 -10.426 1.00 14.42 C ATOM 1689 OG SER A 111 -10.027 0.175 -9.313 1.00 42.34 O ATOM 0 H SER A 111 -11.813 -2.490 -10.892 1.00 73.54 H new ATOM 0 HA SER A 111 -11.023 0.161 -11.802 1.00 33.41 H new ATOM 0 HB2 SER A 111 -9.181 -1.536 -10.085 1.00 14.42 H new ATOM 0 HB3 SER A 111 -8.752 -0.053 -10.913 1.00 14.42 H new ATOM 0 HG SER A 111 -9.260 0.579 -8.857 1.00 42.34 H new ATOM 1695 N ASP A 112 -10.749 -1.394 -13.764 1.00 44.02 N ATOM 1696 CA ASP A 112 -10.364 -2.116 -14.957 1.00 14.34 C ATOM 1697 C ASP A 112 -8.917 -1.809 -15.293 1.00 65.04 C ATOM 1698 O ASP A 112 -8.599 -0.748 -15.827 1.00 33.15 O ATOM 1699 CB ASP A 112 -11.282 -1.775 -16.127 1.00 14.23 C ATOM 1700 CG ASP A 112 -10.886 -2.488 -17.402 1.00 21.14 C ATOM 1701 OD1 ASP A 112 -10.700 -3.724 -17.370 1.00 20.23 O ATOM 1702 OD2 ASP A 112 -10.758 -1.814 -18.444 1.00 3.12 O ATOM 0 H ASP A 112 -11.455 -0.674 -13.916 1.00 44.02 H new ATOM 0 HA ASP A 112 -10.464 -3.185 -14.768 1.00 14.34 H new ATOM 0 HB2 ASP A 112 -12.307 -2.041 -15.869 1.00 14.23 H new ATOM 0 HB3 ASP A 112 -11.265 -0.698 -16.296 1.00 14.23 H new ATOM 1707 N VAL A 113 -8.062 -2.739 -14.918 1.00 35.21 N ATOM 1708 CA VAL A 113 -6.616 -2.607 -15.066 1.00 32.13 C ATOM 1709 C VAL A 113 -6.227 -2.134 -16.462 1.00 11.45 C ATOM 1710 O VAL A 113 -6.656 -2.702 -17.471 1.00 21.14 O ATOM 1711 CB VAL A 113 -5.905 -3.946 -14.782 1.00 73.24 C ATOM 1712 CG1 VAL A 113 -4.390 -3.776 -14.792 1.00 72.11 C ATOM 1713 CG2 VAL A 113 -6.372 -4.532 -13.458 1.00 42.23 C ATOM 0 H VAL A 113 -8.350 -3.622 -14.496 1.00 35.21 H new ATOM 0 HA VAL A 113 -6.299 -1.859 -14.339 1.00 32.13 H new ATOM 0 HB VAL A 113 -6.169 -4.642 -15.578 1.00 73.24 H new ATOM 0 HG11 VAL A 113 -3.915 -4.736 -14.589 1.00 72.11 H new ATOM 0 HG12 VAL A 113 -4.071 -3.413 -15.769 1.00 72.11 H new ATOM 0 HG13 VAL A 113 -4.099 -3.058 -14.025 1.00 72.11 H new ATOM 0 HG21 VAL A 113 -5.858 -5.476 -13.277 1.00 42.23 H new ATOM 0 HG22 VAL A 113 -6.145 -3.835 -12.651 1.00 42.23 H new ATOM 0 HG23 VAL A 113 -7.447 -4.705 -13.496 1.00 42.23 H new ATOM 1723 N ALA A 114 -5.417 -1.088 -16.505 1.00 63.41 N ATOM 1724 CA ALA A 114 -4.889 -0.582 -17.757 1.00 53.44 C ATOM 1725 C ALA A 114 -3.752 -1.482 -18.215 1.00 40.30 C ATOM 1726 O ALA A 114 -2.732 -1.602 -17.535 1.00 12.53 O ATOM 1727 CB ALA A 114 -4.414 0.853 -17.599 1.00 64.31 C ATOM 0 H ALA A 114 -5.111 -0.572 -15.680 1.00 63.41 H new ATOM 0 HA ALA A 114 -5.676 -0.586 -18.511 1.00 53.44 H new ATOM 0 HB1 ALA A 114 -4.022 1.213 -18.550 1.00 64.31 H new ATOM 0 HB2 ALA A 114 -5.250 1.481 -17.290 1.00 64.31 H new ATOM 0 HB3 ALA A 114 -3.630 0.895 -16.843 1.00 64.31 H new ATOM 1733 N VAL A 115 -3.934 -2.122 -19.355 1.00 74.53 N ATOM 1734 CA VAL A 115 -2.995 -3.130 -19.812 1.00 43.23 C ATOM 1735 C VAL A 115 -1.862 -2.532 -20.639 1.00 3.02 C ATOM 1736 O VAL A 115 -2.084 -1.876 -21.659 1.00 5.55 O ATOM 1737 CB VAL A 115 -3.702 -4.245 -20.613 1.00 10.23 C ATOM 1738 CG1 VAL A 115 -4.592 -5.067 -19.695 1.00 13.22 C ATOM 1739 CG2 VAL A 115 -4.515 -3.671 -21.766 1.00 4.45 C ATOM 0 H VAL A 115 -4.723 -1.962 -19.981 1.00 74.53 H new ATOM 0 HA VAL A 115 -2.560 -3.569 -18.914 1.00 43.23 H new ATOM 0 HB VAL A 115 -2.935 -4.893 -21.037 1.00 10.23 H new ATOM 0 HG11 VAL A 115 -5.085 -5.850 -20.271 1.00 13.22 H new ATOM 0 HG12 VAL A 115 -3.986 -5.521 -18.911 1.00 13.22 H new ATOM 0 HG13 VAL A 115 -5.344 -4.421 -19.243 1.00 13.22 H new ATOM 0 HG21 VAL A 115 -4.999 -4.482 -22.309 1.00 4.45 H new ATOM 0 HG22 VAL A 115 -5.273 -2.993 -21.374 1.00 4.45 H new ATOM 0 HG23 VAL A 115 -3.855 -3.126 -22.441 1.00 4.45 H new ATOM 1749 N ASP A 116 -0.644 -2.741 -20.165 1.00 0.14 N ATOM 1750 CA ASP A 116 0.550 -2.345 -20.898 1.00 65.13 C ATOM 1751 C ASP A 116 1.201 -3.604 -21.473 1.00 11.11 C ATOM 1752 O ASP A 116 0.511 -4.602 -21.697 1.00 10.13 O ATOM 1753 CB ASP A 116 1.510 -1.595 -19.968 1.00 64.32 C ATOM 1754 CG ASP A 116 2.553 -0.792 -20.725 1.00 41.12 C ATOM 1755 OD1 ASP A 116 2.262 0.360 -21.105 1.00 70.31 O ATOM 1756 OD2 ASP A 116 3.670 -1.311 -20.935 1.00 51.31 O ATOM 0 H ASP A 116 -0.455 -3.187 -19.267 1.00 0.14 H new ATOM 0 HA ASP A 116 0.292 -1.671 -21.715 1.00 65.13 H new ATOM 0 HB2 ASP A 116 0.938 -0.925 -19.326 1.00 64.32 H new ATOM 0 HB3 ASP A 116 2.011 -2.311 -19.316 1.00 64.32 H new ATOM 1761 N ASN A 117 2.509 -3.591 -21.696 1.00 73.53 N ATOM 1762 CA ASN A 117 3.172 -4.752 -22.274 1.00 41.22 C ATOM 1763 C ASN A 117 4.559 -4.991 -21.671 1.00 2.33 C ATOM 1764 O ASN A 117 5.550 -4.398 -22.092 1.00 63.42 O ATOM 1765 CB ASN A 117 3.240 -4.669 -23.816 1.00 34.12 C ATOM 1766 CG ASN A 117 4.085 -3.525 -24.382 1.00 73.24 C ATOM 1767 OD1 ASN A 117 4.705 -3.680 -25.436 1.00 44.34 O ATOM 1768 ND2 ASN A 117 4.094 -2.372 -23.727 1.00 52.12 N ATOM 0 H ASN A 117 3.123 -2.803 -21.489 1.00 73.53 H new ATOM 0 HA ASN A 117 2.558 -5.615 -22.017 1.00 41.22 H new ATOM 0 HB2 ASN A 117 3.636 -5.611 -24.195 1.00 34.12 H new ATOM 0 HB3 ASN A 117 2.225 -4.572 -24.201 1.00 34.12 H new ATOM 0 HD21 ASN A 117 4.624 -1.582 -24.093 1.00 52.12 H new ATOM 0 HD22 ASN A 117 3.570 -2.276 -22.857 1.00 52.12 H new ATOM 1775 N SER A 118 4.588 -5.851 -20.650 1.00 55.30 N ATOM 1776 CA SER A 118 5.827 -6.377 -20.077 1.00 55.32 C ATOM 1777 C SER A 118 6.655 -5.319 -19.343 1.00 15.23 C ATOM 1778 O SER A 118 7.221 -4.410 -19.949 1.00 4.41 O ATOM 1779 CB SER A 118 6.668 -7.045 -21.168 1.00 30.15 C ATOM 1780 OG SER A 118 5.921 -8.057 -21.827 1.00 23.12 O ATOM 0 H SER A 118 3.746 -6.204 -20.195 1.00 55.30 H new ATOM 0 HA SER A 118 5.535 -7.113 -19.328 1.00 55.32 H new ATOM 0 HB2 SER A 118 6.995 -6.298 -21.891 1.00 30.15 H new ATOM 0 HB3 SER A 118 7.567 -7.477 -20.728 1.00 30.15 H new ATOM 0 HG SER A 118 6.474 -8.472 -22.522 1.00 23.12 H new ATOM 1786 N GLN A 119 6.725 -5.453 -18.028 1.00 70.45 N ATOM 1787 CA GLN A 119 7.630 -4.647 -17.225 1.00 75.12 C ATOM 1788 C GLN A 119 8.673 -5.558 -16.586 1.00 21.31 C ATOM 1789 O GLN A 119 8.380 -6.268 -15.620 1.00 62.22 O ATOM 1790 CB GLN A 119 6.882 -3.859 -16.147 1.00 34.43 C ATOM 1791 CG GLN A 119 7.794 -2.958 -15.329 1.00 45.53 C ATOM 1792 CD GLN A 119 7.082 -2.290 -14.173 1.00 73.34 C ATOM 1793 OE1 GLN A 119 6.555 -1.183 -14.300 1.00 75.51 O ATOM 1794 NE2 GLN A 119 7.060 -2.965 -13.037 1.00 33.14 N ATOM 0 H GLN A 119 6.163 -6.115 -17.493 1.00 70.45 H new ATOM 0 HA GLN A 119 8.117 -3.921 -17.876 1.00 75.12 H new ATOM 0 HB2 GLN A 119 6.109 -3.252 -16.619 1.00 34.43 H new ATOM 0 HB3 GLN A 119 6.376 -4.557 -15.480 1.00 34.43 H new ATOM 0 HG2 GLN A 119 8.627 -3.546 -14.944 1.00 45.53 H new ATOM 0 HG3 GLN A 119 8.218 -2.192 -15.979 1.00 45.53 H new ATOM 0 HE21 GLN A 119 7.510 -3.879 -12.978 1.00 33.14 H new ATOM 0 HE22 GLN A 119 6.593 -2.572 -12.219 1.00 33.14 H new ATOM 1803 N PRO A 120 9.891 -5.576 -17.141 1.00 63.14 N ATOM 1804 CA PRO A 120 10.951 -6.488 -16.700 1.00 15.02 C ATOM 1805 C PRO A 120 11.504 -6.138 -15.320 1.00 4.22 C ATOM 1806 O PRO A 120 11.630 -4.967 -14.957 1.00 30.35 O ATOM 1807 CB PRO A 120 12.031 -6.317 -17.770 1.00 63.03 C ATOM 1808 CG PRO A 120 11.818 -4.946 -18.304 1.00 44.23 C ATOM 1809 CD PRO A 120 10.335 -4.705 -18.244 1.00 34.24 C ATOM 0 HA PRO A 120 10.585 -7.510 -16.597 1.00 15.02 H new ATOM 0 HB2 PRO A 120 13.029 -6.426 -17.346 1.00 63.03 H new ATOM 0 HB3 PRO A 120 11.934 -7.067 -18.555 1.00 63.03 H new ATOM 0 HG2 PRO A 120 12.358 -4.208 -17.711 1.00 44.23 H new ATOM 0 HG3 PRO A 120 12.186 -4.864 -19.327 1.00 44.23 H new ATOM 0 HD2 PRO A 120 10.106 -3.658 -18.046 1.00 34.24 H new ATOM 0 HD3 PRO A 120 9.847 -4.966 -19.183 1.00 34.24 H new ATOM 1817 N LEU A 121 11.828 -7.167 -14.552 1.00 14.43 N ATOM 1818 CA LEU A 121 12.402 -6.992 -13.228 1.00 24.00 C ATOM 1819 C LEU A 121 13.867 -7.411 -13.232 1.00 54.41 C ATOM 1820 O LEU A 121 14.183 -8.600 -13.306 1.00 34.13 O ATOM 1821 CB LEU A 121 11.627 -7.813 -12.190 1.00 41.31 C ATOM 1822 CG LEU A 121 10.156 -7.435 -12.017 1.00 71.23 C ATOM 1823 CD1 LEU A 121 9.485 -8.371 -11.025 1.00 21.35 C ATOM 1824 CD2 LEU A 121 10.024 -5.991 -11.555 1.00 3.44 C ATOM 0 H LEU A 121 11.701 -8.141 -14.827 1.00 14.43 H new ATOM 0 HA LEU A 121 12.333 -5.938 -12.960 1.00 24.00 H new ATOM 0 HB2 LEU A 121 11.683 -8.865 -12.469 1.00 41.31 H new ATOM 0 HB3 LEU A 121 12.126 -7.712 -11.226 1.00 41.31 H new ATOM 0 HG LEU A 121 9.659 -7.533 -12.982 1.00 71.23 H new ATOM 0 HD11 LEU A 121 8.438 -8.091 -10.911 1.00 21.35 H new ATOM 0 HD12 LEU A 121 9.548 -9.396 -11.391 1.00 21.35 H new ATOM 0 HD13 LEU A 121 9.987 -8.299 -10.060 1.00 21.35 H new ATOM 0 HD21 LEU A 121 8.969 -5.741 -11.438 1.00 3.44 H new ATOM 0 HD22 LEU A 121 10.535 -5.866 -10.600 1.00 3.44 H new ATOM 0 HD23 LEU A 121 10.473 -5.329 -12.296 1.00 3.44 H new ATOM 1836 N PRO A 122 14.785 -6.438 -13.180 1.00 2.23 N ATOM 1837 CA PRO A 122 16.214 -6.709 -13.168 1.00 35.03 C ATOM 1838 C PRO A 122 16.742 -6.965 -11.757 1.00 53.41 C ATOM 1839 O PRO A 122 17.055 -6.029 -11.015 1.00 51.23 O ATOM 1840 CB PRO A 122 16.810 -5.430 -13.754 1.00 72.43 C ATOM 1841 CG PRO A 122 15.835 -4.342 -13.423 1.00 12.31 C ATOM 1842 CD PRO A 122 14.500 -4.994 -13.134 1.00 23.21 C ATOM 0 HA PRO A 122 16.473 -7.608 -13.727 1.00 35.03 H new ATOM 0 HB2 PRO A 122 17.790 -5.222 -13.325 1.00 72.43 H new ATOM 0 HB3 PRO A 122 16.947 -5.519 -14.832 1.00 72.43 H new ATOM 0 HG2 PRO A 122 16.177 -3.771 -12.560 1.00 12.31 H new ATOM 0 HG3 PRO A 122 15.747 -3.641 -14.253 1.00 12.31 H new ATOM 0 HD2 PRO A 122 14.114 -4.695 -12.160 1.00 23.21 H new ATOM 0 HD3 PRO A 122 13.751 -4.712 -13.874 1.00 23.21 H new ATOM 1850 N LEU A 123 16.810 -8.234 -11.377 1.00 34.33 N ATOM 1851 CA LEU A 123 17.299 -8.606 -10.057 1.00 22.54 C ATOM 1852 C LEU A 123 18.582 -9.418 -10.156 1.00 41.40 C ATOM 1853 O LEU A 123 18.547 -10.634 -10.324 1.00 33.30 O ATOM 1854 CB LEU A 123 16.242 -9.399 -9.270 1.00 30.34 C ATOM 1855 CG LEU A 123 15.166 -8.565 -8.561 1.00 23.43 C ATOM 1856 CD1 LEU A 123 14.228 -7.901 -9.559 1.00 0.10 C ATOM 1857 CD2 LEU A 123 14.385 -9.434 -7.587 1.00 61.42 C ATOM 0 H LEU A 123 16.533 -9.021 -11.963 1.00 34.33 H new ATOM 0 HA LEU A 123 17.509 -7.681 -9.521 1.00 22.54 H new ATOM 0 HB2 LEU A 123 15.747 -10.087 -9.956 1.00 30.34 H new ATOM 0 HB3 LEU A 123 16.754 -10.006 -8.523 1.00 30.34 H new ATOM 0 HG LEU A 123 15.666 -7.773 -8.004 1.00 23.43 H new ATOM 0 HD11 LEU A 123 13.479 -7.319 -9.022 1.00 0.10 H new ATOM 0 HD12 LEU A 123 14.800 -7.242 -10.213 1.00 0.10 H new ATOM 0 HD13 LEU A 123 13.733 -8.666 -10.157 1.00 0.10 H new ATOM 0 HD21 LEU A 123 13.625 -8.831 -7.090 1.00 61.42 H new ATOM 0 HD22 LEU A 123 13.905 -10.248 -8.130 1.00 61.42 H new ATOM 0 HD23 LEU A 123 15.065 -9.847 -6.842 1.00 61.42 H new ATOM 1869 N GLU A 124 19.706 -8.726 -10.084 1.00 62.42 N ATOM 1870 CA GLU A 124 21.009 -9.370 -10.026 1.00 70.03 C ATOM 1871 C GLU A 124 21.707 -8.968 -8.735 1.00 31.15 C ATOM 1872 O GLU A 124 21.791 -7.782 -8.409 1.00 3.51 O ATOM 1873 CB GLU A 124 21.858 -8.980 -11.239 1.00 32.44 C ATOM 1874 CG GLU A 124 21.432 -9.671 -12.524 1.00 43.01 C ATOM 1875 CD GLU A 124 21.935 -11.102 -12.623 1.00 5.04 C ATOM 1876 OE1 GLU A 124 21.521 -11.951 -11.805 1.00 22.23 O ATOM 1877 OE2 GLU A 124 22.755 -11.379 -13.528 1.00 2.20 O ATOM 0 H GLU A 124 19.743 -7.707 -10.064 1.00 62.42 H new ATOM 0 HA GLU A 124 20.877 -10.452 -10.044 1.00 70.03 H new ATOM 0 HB2 GLU A 124 21.802 -7.901 -11.380 1.00 32.44 H new ATOM 0 HB3 GLU A 124 22.901 -9.221 -11.035 1.00 32.44 H new ATOM 0 HG2 GLU A 124 20.344 -9.669 -12.588 1.00 43.01 H new ATOM 0 HG3 GLU A 124 21.802 -9.102 -13.376 1.00 43.01 H new ATOM 1884 N HIS A 125 22.199 -9.948 -7.997 1.00 42.21 N ATOM 1885 CA HIS A 125 22.783 -9.683 -6.693 1.00 75.01 C ATOM 1886 C HIS A 125 24.121 -10.391 -6.538 1.00 30.20 C ATOM 1887 O HIS A 125 24.173 -11.565 -6.169 1.00 35.30 O ATOM 1888 CB HIS A 125 21.823 -10.125 -5.580 1.00 41.44 C ATOM 1889 CG HIS A 125 22.196 -9.626 -4.212 1.00 61.55 C ATOM 1890 ND1 HIS A 125 21.511 -8.613 -3.577 1.00 11.54 N ATOM 1891 CD2 HIS A 125 23.173 -10.009 -3.353 1.00 24.51 C ATOM 1892 CE1 HIS A 125 22.051 -8.390 -2.394 1.00 61.14 C ATOM 1893 NE2 HIS A 125 23.059 -9.224 -2.233 1.00 11.02 N ATOM 0 H HIS A 125 22.206 -10.929 -8.276 1.00 42.21 H new ATOM 0 HA HIS A 125 22.953 -8.609 -6.612 1.00 75.01 H new ATOM 0 HB2 HIS A 125 20.819 -9.775 -5.821 1.00 41.44 H new ATOM 0 HB3 HIS A 125 21.785 -11.214 -5.560 1.00 41.44 H new ATOM 0 HD2 HIS A 125 23.904 -10.786 -3.519 1.00 24.51 H new ATOM 0 HE1 HIS A 125 21.723 -7.650 -1.679 1.00 61.14 H new ATOM 0 HE2 HIS A 125 23.658 -9.277 -1.409 1.00 11.02 H new ATOM 1902 N HIS A 126 25.196 -9.676 -6.830 1.00 12.10 N ATOM 1903 CA HIS A 126 26.538 -10.183 -6.580 1.00 21.44 C ATOM 1904 C HIS A 126 27.168 -9.407 -5.431 1.00 25.52 C ATOM 1905 O HIS A 126 27.089 -8.179 -5.385 1.00 34.32 O ATOM 1906 CB HIS A 126 27.418 -10.125 -7.845 1.00 45.41 C ATOM 1907 CG HIS A 126 27.500 -8.778 -8.510 1.00 25.35 C ATOM 1908 ND1 HIS A 126 26.879 -8.497 -9.708 1.00 21.33 N ATOM 1909 CD2 HIS A 126 28.152 -7.644 -8.157 1.00 53.04 C ATOM 1910 CE1 HIS A 126 27.148 -7.255 -10.063 1.00 71.13 C ATOM 1911 NE2 HIS A 126 27.915 -6.713 -9.140 1.00 31.42 N ATOM 0 H HIS A 126 25.166 -8.743 -7.240 1.00 12.10 H new ATOM 0 HA HIS A 126 26.464 -11.234 -6.301 1.00 21.44 H new ATOM 0 HB2 HIS A 126 28.426 -10.443 -7.581 1.00 45.41 H new ATOM 0 HB3 HIS A 126 27.035 -10.846 -8.567 1.00 45.41 H new ATOM 0 HD2 HIS A 126 28.748 -7.499 -7.268 1.00 53.04 H new ATOM 0 HE1 HIS A 126 26.798 -6.765 -10.960 1.00 71.13 H new ATOM 0 HE2 HIS A 126 28.274 -5.759 -9.152 1.00 31.42 H new ATOM 1920 N HIS A 127 27.754 -10.128 -4.489 1.00 4.02 N ATOM 1921 CA HIS A 127 28.346 -9.514 -3.310 1.00 71.50 C ATOM 1922 C HIS A 127 29.611 -10.266 -2.909 1.00 51.12 C ATOM 1923 O HIS A 127 29.551 -11.423 -2.496 1.00 75.44 O ATOM 1924 CB HIS A 127 27.327 -9.508 -2.160 1.00 54.34 C ATOM 1925 CG HIS A 127 27.829 -8.903 -0.879 1.00 42.44 C ATOM 1926 ND1 HIS A 127 27.595 -9.466 0.358 1.00 30.41 N ATOM 1927 CD2 HIS A 127 28.540 -7.773 -0.645 1.00 53.22 C ATOM 1928 CE1 HIS A 127 28.139 -8.711 1.293 1.00 31.30 C ATOM 1929 NE2 HIS A 127 28.716 -7.681 0.712 1.00 4.25 N ATOM 0 H HIS A 127 27.833 -11.145 -4.518 1.00 4.02 H new ATOM 0 HA HIS A 127 28.618 -8.483 -3.538 1.00 71.50 H new ATOM 0 HB2 HIS A 127 26.440 -8.961 -2.481 1.00 54.34 H new ATOM 0 HB3 HIS A 127 27.015 -10.534 -1.964 1.00 54.34 H new ATOM 0 HD2 HIS A 127 28.900 -7.076 -1.387 1.00 53.22 H new ATOM 0 HE1 HIS A 127 28.115 -8.905 2.355 1.00 31.30 H new ATOM 0 HE2 HIS A 127 29.215 -6.933 1.194 1.00 4.25 H new ATOM 1938 N HIS A 128 30.750 -9.603 -3.036 1.00 1.31 N ATOM 1939 CA HIS A 128 32.030 -10.220 -2.726 1.00 45.34 C ATOM 1940 C HIS A 128 32.414 -9.931 -1.281 1.00 13.24 C ATOM 1941 O HIS A 128 32.500 -8.774 -0.871 1.00 62.30 O ATOM 1942 CB HIS A 128 33.113 -9.707 -3.686 1.00 31.45 C ATOM 1943 CG HIS A 128 34.473 -10.296 -3.451 1.00 64.34 C ATOM 1944 ND1 HIS A 128 35.606 -9.530 -3.300 1.00 44.40 N ATOM 1945 CD2 HIS A 128 34.880 -11.584 -3.344 1.00 73.01 C ATOM 1946 CE1 HIS A 128 36.646 -10.317 -3.110 1.00 33.31 C ATOM 1947 NE2 HIS A 128 36.235 -11.570 -3.130 1.00 73.22 N ATOM 0 H HIS A 128 30.814 -8.635 -3.352 1.00 1.31 H new ATOM 0 HA HIS A 128 31.942 -11.299 -2.852 1.00 45.34 H new ATOM 0 HB2 HIS A 128 32.808 -9.924 -4.710 1.00 31.45 H new ATOM 0 HB3 HIS A 128 33.179 -8.623 -3.596 1.00 31.45 H new ATOM 0 HD2 HIS A 128 34.253 -12.461 -3.414 1.00 73.01 H new ATOM 0 HE1 HIS A 128 37.665 -9.990 -2.963 1.00 33.31 H new ATOM 0 HE2 HIS A 128 36.826 -12.392 -3.007 1.00 73.22 H new ATOM 1956 N HIS A 129 32.619 -10.987 -0.512 1.00 43.31 N ATOM 1957 CA HIS A 129 33.029 -10.854 0.876 1.00 1.21 C ATOM 1958 C HIS A 129 34.553 -10.878 0.954 1.00 11.34 C ATOM 1959 O HIS A 129 35.168 -9.942 1.457 1.00 52.31 O ATOM 1960 CB HIS A 129 32.417 -11.977 1.720 1.00 45.25 C ATOM 1961 CG HIS A 129 32.520 -11.762 3.202 1.00 1.43 C ATOM 1962 ND1 HIS A 129 32.687 -12.794 4.099 1.00 72.32 N ATOM 1963 CD2 HIS A 129 32.447 -10.631 3.945 1.00 1.44 C ATOM 1964 CE1 HIS A 129 32.714 -12.309 5.328 1.00 14.42 C ATOM 1965 NE2 HIS A 129 32.572 -10.999 5.263 1.00 73.53 N ATOM 0 H HIS A 129 32.508 -11.951 -0.827 1.00 43.31 H new ATOM 0 HA HIS A 129 32.671 -9.905 1.275 1.00 1.21 H new ATOM 0 HB2 HIS A 129 31.366 -12.085 1.453 1.00 45.25 H new ATOM 0 HB3 HIS A 129 32.909 -12.916 1.466 1.00 45.25 H new ATOM 0 HD2 HIS A 129 32.315 -9.627 3.571 1.00 1.44 H new ATOM 0 HE1 HIS A 129 32.832 -12.887 6.233 1.00 14.42 H new ATOM 0 HE2 HIS A 129 32.557 -10.363 6.061 1.00 73.53 H new ATOM 1974 N HIS A 130 35.151 -11.957 0.452 1.00 33.35 N ATOM 1975 CA HIS A 130 36.602 -12.046 0.309 1.00 24.41 C ATOM 1976 C HIS A 130 36.974 -13.322 -0.437 1.00 54.54 C ATOM 1977 O HIS A 130 37.615 -13.220 -1.503 1.00 37.61 O ATOM 1978 CB HIS A 130 37.339 -11.962 1.663 1.00 20.55 C ATOM 1979 CG HIS A 130 37.159 -13.130 2.585 1.00 65.22 C ATOM 1980 ND1 HIS A 130 38.055 -14.172 2.655 1.00 24.12 N ATOM 1981 CD2 HIS A 130 36.211 -13.393 3.513 1.00 65.11 C ATOM 1982 CE1 HIS A 130 37.670 -15.020 3.587 1.00 74.14 C ATOM 1983 NE2 HIS A 130 36.552 -14.575 4.127 1.00 12.35 N ATOM 1984 OXT HIS A 130 36.569 -14.413 0.010 1.00 37.61 O ATOM 0 H HIS A 130 34.649 -12.786 0.136 1.00 33.35 H new ATOM 0 HA HIS A 130 36.927 -11.183 -0.272 1.00 24.41 H new ATOM 0 HB2 HIS A 130 38.404 -11.841 1.467 1.00 20.55 H new ATOM 0 HB3 HIS A 130 37.006 -11.062 2.180 1.00 20.55 H new ATOM 0 HD2 HIS A 130 35.345 -12.786 3.732 1.00 65.11 H new ATOM 0 HE1 HIS A 130 38.184 -15.929 3.863 1.00 74.14 H new ATOM 0 HE2 HIS A 130 36.029 -15.031 4.874 1.00 12.35 H new TER 1993 HIS A 130