USER MOD reduce.3.24.130724 H: found=0, std=0, add=1171, rem=0, adj=38 USER MOD reduce.3.24.130724 removed 1171 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 81 GLN :FLIP amide:sc= 1.33 F(o=1.2,f=2.4) USER MOD Set 1.2: A 122 TYR OH : rot 180:sc= 0.804 USER MOD Set 1.3: A 127 SER OG : rot 149:sc= 0.303 USER MOD Set 2.1: A 115 THR OG1 : rot 117:sc= 2.01 USER MOD Set 2.2: A 139 CYS SG : rot 54:sc= 1.2 USER MOD Set 3.1: A 93 CYS SG : rot 72:sc= 0.454 USER MOD Set 3.2: A 97 GLN :FLIP amide:sc= 0.491 F(o=0.13!,f=0.94) USER MOD Set 4.1: A 69 HIS : no HE2:sc= -7.81! C(o=-10!,f=-16!) USER MOD Set 4.2: A 71 GLN :FLIP amide:sc= -2.43! C(o=-15!,f=-10!) USER MOD Set 5.1: A 67 THR OG1 : rot 52:sc= -1.78! USER MOD Set 5.2: A 146 THR OG1 : rot 180:sc= -0.175 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -172:sc= -0.0913 (180deg=-0.31) USER MOD Single : A 3 GLN :FLIP amide:sc= -0.0818 F(o=-1.1,f=-0.082) USER MOD Single : A 11 GLN : amide:sc= -0.513 X(o=-0.51,f=-0.49) USER MOD Single : A 23 MET CE :methyl 164:sc= -0.102 (180deg=-0.524) USER MOD Single : A 42 ASN : amide:sc= -3.67! C(o=-3.7!,f=-3.8!) USER MOD Single : A 47 LYS NZ :NH3+ 178:sc= -0.605 (180deg=-0.636) USER MOD Single : A 48 LYS NZ :NH3+ -141:sc= 0.219 (180deg=-0.0993) USER MOD Single : A 49 THR OG1 : rot 50:sc= 0.112 USER MOD Single : A 57 SER OG : rot 97:sc= 0.588 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.00911) USER MOD Single : A 64 GLN :FLIP amide:sc= -1.04 F(o=-6.2!,f=-1) USER MOD Single : A 72 THR OG1 : rot 180:sc= -0.0682 USER MOD Single : A 73 SER OG : rot 160:sc= -0.743! USER MOD Single : A 76 ASN : amide:sc= -0.0873 X(o=-0.087,f=0) USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 THR OG1 : rot 180:sc= 0 USER MOD Single : A 102 SER OG : rot -120:sc= -0.57 USER MOD Single : A 106 MET CE :methyl -117:sc= -4.44! (180deg=-5.79!) USER MOD Single : A 111 THR OG1 : rot 180:sc= 0 USER MOD Single : A 113 MET CE :methyl 160:sc= -0.29 (180deg=-0.617) USER MOD Single : A 118 SER OG : rot 175:sc= 0.0557 USER MOD Single : A 119 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 120 TYR OH : rot 180:sc= -0.198 USER MOD Single : A 121 CYS SG : rot 79:sc= -1.71 USER MOD Single : A 125 GLN : amide:sc= -1.52 X(o=-1.5,f=-1.8) USER MOD Single : A 129 SER OG : rot 180:sc= 0 USER MOD Single : A 131 TYR OH : rot 180:sc= 0 USER MOD Single : A 135 HIS :FLIP no HE2:sc= 0.0929 F(o=-0.79,f=0.093) USER MOD Single : A 143 THR OG1 : rot 180:sc= 0 USER MOD Single : A 145 LYS NZ :NH3+ -148:sc= 1.14 (180deg=-1.14) USER MOD Single : A 152 HIS : no HD1:sc= 0 X(o=0,f=-0.034) USER MOD Single : A 153 HIS : no HD1:sc= -0.0155 X(o=-0.016,f=0) USER MOD Single : A 154 HIS : no HE2:sc= 0.42 K(o=0.42,f=-4.1!) USER MOD Single : A 155 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 156 HIS : no HD1:sc= -0.599 X(o=-0.6,f=-0.91) USER MOD Single : A 157 HIS : no HD1:sc= -0.19 X(o=-0.19,f=-0.0028) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -42.091 10.554 -20.134 1.00 49.39 N ATOM 2 CA MET A 1 -43.336 10.202 -20.847 1.00 49.13 C ATOM 3 C MET A 1 -43.744 11.322 -21.792 1.00 48.56 C ATOM 4 O MET A 1 -44.495 11.099 -22.742 1.00 48.67 O ATOM 5 CB MET A 1 -44.471 9.936 -19.854 1.00 49.37 C ATOM 6 CG MET A 1 -44.213 8.763 -18.923 1.00 49.76 C ATOM 7 SD MET A 1 -43.926 7.213 -19.801 1.00 50.09 S ATOM 8 CE MET A 1 -43.747 6.074 -18.428 1.00 50.23 C ATOM 0 H1 MET A 1 -41.753 9.730 -19.598 1.00 49.39 H new ATOM 0 H2 MET A 1 -41.366 10.840 -20.822 1.00 49.39 H new ATOM 0 H3 MET A 1 -42.276 11.341 -19.479 1.00 49.39 H new ATOM 0 HA MET A 1 -43.148 9.296 -21.424 1.00 49.13 H new ATOM 0 HB2 MET A 1 -44.635 10.832 -19.256 1.00 49.37 H new ATOM 0 HB3 MET A 1 -45.390 9.751 -20.409 1.00 49.37 H new ATOM 0 HG2 MET A 1 -43.348 8.986 -18.299 1.00 49.76 H new ATOM 0 HG3 MET A 1 -45.066 8.643 -18.255 1.00 49.76 H new ATOM 0 HE1 MET A 1 -43.564 5.070 -18.810 1.00 50.23 H new ATOM 0 HE2 MET A 1 -42.908 6.384 -17.805 1.00 50.23 H new ATOM 0 HE3 MET A 1 -44.660 6.075 -17.833 1.00 50.23 H new ATOM 20 N GLY A 2 -43.248 12.529 -21.537 1.00 47.99 N ATOM 21 CA GLY A 2 -43.627 13.671 -22.345 1.00 47.44 C ATOM 22 C GLY A 2 -44.810 14.400 -21.748 1.00 46.69 C ATOM 23 O GLY A 2 -44.830 15.631 -21.687 1.00 46.54 O ATOM 0 H GLY A 2 -42.590 12.735 -20.785 1.00 47.99 H new ATOM 0 HA2 GLY A 2 -42.782 14.354 -22.431 1.00 47.44 H new ATOM 0 HA3 GLY A 2 -43.873 13.340 -23.354 1.00 47.44 H new ATOM 27 N GLN A 3 -45.795 13.635 -21.305 1.00 46.26 N ATOM 28 CA GLN A 3 -46.944 14.193 -20.622 1.00 45.58 C ATOM 29 C GLN A 3 -46.663 14.244 -19.128 1.00 45.14 C ATOM 30 O GLN A 3 -46.360 13.217 -18.522 1.00 45.18 O ATOM 31 CB GLN A 3 -48.195 13.358 -20.907 1.00 45.54 C ATOM 32 CG GLN A 3 -48.509 13.237 -22.390 1.00 45.20 C ATOM 33 CD GLN A 3 -48.707 14.589 -23.053 1.00 45.11 C ATOM 34 OE1 GLN A 3 -49.264 15.535 -22.312 1.00 45.20 O flip ATOM 35 NE2 GLN A 3 -48.376 14.775 -24.224 1.00 45.01 N flip ATOM 0 H GLN A 3 -45.818 12.621 -21.409 1.00 46.26 H new ATOM 0 HA GLN A 3 -47.125 15.204 -20.988 1.00 45.58 H new ATOM 0 HB2 GLN A 3 -48.062 12.361 -20.488 1.00 45.54 H new ATOM 0 HB3 GLN A 3 -49.047 13.807 -20.397 1.00 45.54 H new ATOM 0 HG2 GLN A 3 -47.697 12.707 -22.888 1.00 45.20 H new ATOM 0 HG3 GLN A 3 -49.409 12.636 -22.520 1.00 45.20 H new ATOM 0 HE21 GLN A 3 -47.950 14.019 -24.760 1.00 45.01 H new ATOM 0 HE22 GLN A 3 -48.528 15.685 -24.659 1.00 45.01 H new ATOM 44 N PRO A 4 -46.744 15.444 -18.530 1.00 44.78 N ATOM 45 CA PRO A 4 -46.389 15.669 -17.121 1.00 44.40 C ATOM 46 C PRO A 4 -46.990 14.646 -16.140 1.00 43.91 C ATOM 47 O PRO A 4 -46.253 14.085 -15.328 1.00 43.73 O ATOM 48 CB PRO A 4 -46.906 17.081 -16.844 1.00 44.25 C ATOM 49 CG PRO A 4 -46.864 17.757 -18.168 1.00 44.46 C ATOM 50 CD PRO A 4 -47.182 16.691 -19.186 1.00 44.80 C ATOM 0 HA PRO A 4 -45.316 15.552 -16.966 1.00 44.40 H new ATOM 0 HB2 PRO A 4 -47.918 17.061 -16.440 1.00 44.25 H new ATOM 0 HB3 PRO A 4 -46.282 17.597 -16.115 1.00 44.25 H new ATOM 0 HG2 PRO A 4 -47.588 18.570 -18.215 1.00 44.46 H new ATOM 0 HG3 PRO A 4 -45.882 18.193 -18.353 1.00 44.46 H new ATOM 0 HD2 PRO A 4 -48.246 16.667 -19.423 1.00 44.80 H new ATOM 0 HD3 PRO A 4 -46.650 16.860 -20.123 1.00 44.80 H new ATOM 58 N PRO A 5 -48.317 14.384 -16.156 1.00 43.76 N ATOM 59 CA PRO A 5 -48.902 13.386 -15.274 1.00 43.36 C ATOM 60 C PRO A 5 -48.784 11.976 -15.847 1.00 42.76 C ATOM 61 O PRO A 5 -49.289 11.682 -16.933 1.00 42.58 O ATOM 62 CB PRO A 5 -50.380 13.804 -15.166 1.00 43.41 C ATOM 63 CG PRO A 5 -50.539 15.001 -16.051 1.00 43.89 C ATOM 64 CD PRO A 5 -49.350 15.025 -16.969 1.00 44.02 C ATOM 0 HA PRO A 5 -48.394 13.350 -14.310 1.00 43.36 H new ATOM 0 HB2 PRO A 5 -51.038 12.995 -15.483 1.00 43.41 H new ATOM 0 HB3 PRO A 5 -50.643 14.043 -14.136 1.00 43.41 H new ATOM 0 HG2 PRO A 5 -51.466 14.940 -16.621 1.00 43.89 H new ATOM 0 HG3 PRO A 5 -50.589 15.915 -15.459 1.00 43.89 H new ATOM 0 HD2 PRO A 5 -49.538 14.478 -17.893 1.00 44.02 H new ATOM 0 HD3 PRO A 5 -49.074 16.041 -17.251 1.00 44.02 H new ATOM 72 N ALA A 6 -48.116 11.109 -15.101 1.00 42.50 N ATOM 73 CA ALA A 6 -47.979 9.708 -15.478 1.00 41.97 C ATOM 74 C ALA A 6 -48.167 8.814 -14.259 1.00 41.42 C ATOM 75 O ALA A 6 -48.121 7.586 -14.354 1.00 41.39 O ATOM 76 CB ALA A 6 -46.618 9.461 -16.112 1.00 42.03 C ATOM 0 H ALA A 6 -47.656 11.353 -14.224 1.00 42.50 H new ATOM 0 HA ALA A 6 -48.750 9.466 -16.210 1.00 41.97 H new ATOM 0 HB1 ALA A 6 -46.531 8.410 -16.388 1.00 42.03 H new ATOM 0 HB2 ALA A 6 -46.514 10.080 -17.003 1.00 42.03 H new ATOM 0 HB3 ALA A 6 -45.833 9.715 -15.400 1.00 42.03 H new ATOM 82 N GLU A 7 -48.391 9.448 -13.122 1.00 41.05 N ATOM 83 CA GLU A 7 -48.536 8.748 -11.856 1.00 40.56 C ATOM 84 C GLU A 7 -49.758 9.272 -11.109 1.00 40.16 C ATOM 85 O GLU A 7 -50.122 10.443 -11.244 1.00 40.13 O ATOM 86 CB GLU A 7 -47.270 8.923 -11.008 1.00 40.61 C ATOM 87 CG GLU A 7 -46.836 10.372 -10.853 1.00 40.78 C ATOM 88 CD GLU A 7 -45.530 10.522 -10.099 1.00 41.03 C ATOM 89 OE1 GLU A 7 -45.565 10.598 -8.853 1.00 41.50 O ATOM 90 OE2 GLU A 7 -44.461 10.543 -10.743 1.00 40.82 O ATOM 0 H GLU A 7 -48.478 10.462 -13.049 1.00 41.05 H new ATOM 0 HA GLU A 7 -48.676 7.685 -12.051 1.00 40.56 H new ATOM 0 HB2 GLU A 7 -47.443 8.497 -10.020 1.00 40.61 H new ATOM 0 HB3 GLU A 7 -46.457 8.356 -11.462 1.00 40.61 H new ATOM 0 HG2 GLU A 7 -46.733 10.822 -11.840 1.00 40.78 H new ATOM 0 HG3 GLU A 7 -47.616 10.925 -10.330 1.00 40.78 H new ATOM 97 N GLU A 8 -50.396 8.397 -10.351 1.00 39.89 N ATOM 98 CA GLU A 8 -51.571 8.763 -9.580 1.00 39.55 C ATOM 99 C GLU A 8 -51.327 8.474 -8.104 1.00 39.08 C ATOM 100 O GLU A 8 -51.263 7.309 -7.705 1.00 38.77 O ATOM 101 CB GLU A 8 -52.790 7.982 -10.082 1.00 39.61 C ATOM 102 CG GLU A 8 -54.081 8.290 -9.337 1.00 39.77 C ATOM 103 CD GLU A 8 -54.525 9.733 -9.479 1.00 40.05 C ATOM 104 OE1 GLU A 8 -54.996 10.109 -10.576 1.00 40.04 O ATOM 105 OE2 GLU A 8 -54.439 10.485 -8.486 1.00 40.33 O ATOM 0 H GLU A 8 -50.117 7.421 -10.253 1.00 39.89 H new ATOM 0 HA GLU A 8 -51.766 9.828 -9.703 1.00 39.55 H new ATOM 0 HB2 GLU A 8 -52.935 8.198 -11.141 1.00 39.61 H new ATOM 0 HB3 GLU A 8 -52.582 6.915 -10.000 1.00 39.61 H new ATOM 0 HG2 GLU A 8 -54.871 7.636 -9.707 1.00 39.77 H new ATOM 0 HG3 GLU A 8 -53.946 8.061 -8.280 1.00 39.77 H new ATOM 112 N ALA A 9 -51.155 9.543 -7.323 1.00 39.09 N ATOM 113 CA ALA A 9 -50.888 9.457 -5.882 1.00 38.75 C ATOM 114 C ALA A 9 -49.484 8.912 -5.609 1.00 38.56 C ATOM 115 O ALA A 9 -48.627 9.627 -5.082 1.00 38.67 O ATOM 116 CB ALA A 9 -51.947 8.618 -5.166 1.00 38.76 C ATOM 0 H ALA A 9 -51.197 10.500 -7.673 1.00 39.09 H new ATOM 0 HA ALA A 9 -50.939 10.469 -5.481 1.00 38.75 H new ATOM 0 HB1 ALA A 9 -51.718 8.575 -4.101 1.00 38.76 H new ATOM 0 HB2 ALA A 9 -52.928 9.071 -5.309 1.00 38.76 H new ATOM 0 HB3 ALA A 9 -51.951 7.609 -5.577 1.00 38.76 H new ATOM 122 N GLU A 10 -49.260 7.652 -5.981 1.00 38.35 N ATOM 123 CA GLU A 10 -47.976 6.988 -5.781 1.00 38.21 C ATOM 124 C GLU A 10 -48.046 5.551 -6.290 1.00 37.73 C ATOM 125 O GLU A 10 -47.310 5.158 -7.197 1.00 37.49 O ATOM 126 CB GLU A 10 -47.601 6.970 -4.296 1.00 38.40 C ATOM 127 CG GLU A 10 -46.193 6.467 -4.036 1.00 38.59 C ATOM 128 CD GLU A 10 -45.137 7.416 -4.562 1.00 38.73 C ATOM 129 OE1 GLU A 10 -44.777 7.306 -5.752 1.00 38.82 O ATOM 130 OE2 GLU A 10 -44.656 8.273 -3.792 1.00 38.81 O ATOM 0 H GLU A 10 -49.964 7.065 -6.429 1.00 38.35 H new ATOM 0 HA GLU A 10 -47.219 7.542 -6.336 1.00 38.21 H new ATOM 0 HB2 GLU A 10 -47.699 7.978 -3.892 1.00 38.40 H new ATOM 0 HB3 GLU A 10 -48.309 6.340 -3.758 1.00 38.40 H new ATOM 0 HG2 GLU A 10 -46.052 6.328 -2.964 1.00 38.59 H new ATOM 0 HG3 GLU A 10 -46.066 5.491 -4.504 1.00 38.59 H new ATOM 137 N GLN A 11 -48.970 4.794 -5.701 1.00 37.65 N ATOM 138 CA GLN A 11 -49.109 3.360 -5.953 1.00 37.26 C ATOM 139 C GLN A 11 -47.798 2.639 -5.615 1.00 36.82 C ATOM 140 O GLN A 11 -47.021 2.287 -6.502 1.00 36.78 O ATOM 141 CB GLN A 11 -49.523 3.079 -7.405 1.00 37.34 C ATOM 142 CG GLN A 11 -50.357 1.811 -7.583 1.00 37.71 C ATOM 143 CD GLN A 11 -49.663 0.558 -7.082 1.00 37.79 C ATOM 144 OE1 GLN A 11 -48.950 -0.114 -7.828 1.00 37.58 O ATOM 145 NE2 GLN A 11 -49.868 0.235 -5.816 1.00 38.16 N ATOM 0 H GLN A 11 -49.647 5.160 -5.032 1.00 37.65 H new ATOM 0 HA GLN A 11 -49.901 2.979 -5.309 1.00 37.26 H new ATOM 0 HB2 GLN A 11 -50.091 3.930 -7.780 1.00 37.34 H new ATOM 0 HB3 GLN A 11 -48.625 2.999 -8.018 1.00 37.34 H new ATOM 0 HG2 GLN A 11 -51.303 1.930 -7.054 1.00 37.71 H new ATOM 0 HG3 GLN A 11 -50.596 1.687 -8.639 1.00 37.71 H new ATOM 0 HE21 GLN A 11 -50.466 0.819 -5.231 1.00 38.16 H new ATOM 0 HE22 GLN A 11 -49.428 -0.598 -5.424 1.00 38.16 H new ATOM 154 N PRO A 12 -47.533 2.436 -4.316 1.00 36.56 N ATOM 155 CA PRO A 12 -46.342 1.751 -3.844 1.00 36.18 C ATOM 156 C PRO A 12 -46.600 0.269 -3.574 1.00 35.97 C ATOM 157 O PRO A 12 -47.670 -0.256 -3.892 1.00 36.19 O ATOM 158 CB PRO A 12 -46.054 2.495 -2.540 1.00 36.06 C ATOM 159 CG PRO A 12 -47.398 2.920 -2.025 1.00 36.50 C ATOM 160 CD PRO A 12 -48.367 2.866 -3.187 1.00 36.70 C ATOM 0 HA PRO A 12 -45.524 1.763 -4.564 1.00 36.18 H new ATOM 0 HB2 PRO A 12 -45.543 1.851 -1.824 1.00 36.06 H new ATOM 0 HB3 PRO A 12 -45.408 3.356 -2.712 1.00 36.06 H new ATOM 0 HG2 PRO A 12 -47.726 2.262 -1.221 1.00 36.50 H new ATOM 0 HG3 PRO A 12 -47.350 3.928 -1.612 1.00 36.50 H new ATOM 0 HD2 PRO A 12 -49.179 2.164 -2.999 1.00 36.70 H new ATOM 0 HD3 PRO A 12 -48.823 3.838 -3.374 1.00 36.70 H new ATOM 168 N GLY A 13 -45.618 -0.403 -2.989 1.00 35.61 N ATOM 169 CA GLY A 13 -45.797 -1.789 -2.608 1.00 35.47 C ATOM 170 C GLY A 13 -44.653 -2.669 -3.062 1.00 35.16 C ATOM 171 O GLY A 13 -44.384 -3.707 -2.454 1.00 35.17 O ATOM 0 H GLY A 13 -44.701 -0.013 -2.772 1.00 35.61 H new ATOM 0 HA2 GLY A 13 -45.893 -1.855 -1.524 1.00 35.47 H new ATOM 0 HA3 GLY A 13 -46.729 -2.162 -3.034 1.00 35.47 H new ATOM 175 N ALA A 14 -43.970 -2.261 -4.124 1.00 34.97 N ATOM 176 CA ALA A 14 -42.869 -3.047 -4.655 1.00 34.74 C ATOM 177 C ALA A 14 -41.588 -2.761 -3.885 1.00 34.24 C ATOM 178 O ALA A 14 -40.740 -1.986 -4.337 1.00 34.14 O ATOM 179 CB ALA A 14 -42.681 -2.775 -6.139 1.00 35.03 C ATOM 0 H ALA A 14 -44.159 -1.396 -4.630 1.00 34.97 H new ATOM 0 HA ALA A 14 -43.111 -4.103 -4.533 1.00 34.74 H new ATOM 0 HB1 ALA A 14 -41.852 -3.373 -6.516 1.00 35.03 H new ATOM 0 HB2 ALA A 14 -43.592 -3.039 -6.676 1.00 35.03 H new ATOM 0 HB3 ALA A 14 -42.464 -1.718 -6.290 1.00 35.03 H new ATOM 185 N LEU A 15 -41.480 -3.382 -2.711 1.00 34.01 N ATOM 186 CA LEU A 15 -40.348 -3.191 -1.802 1.00 33.60 C ATOM 187 C LEU A 15 -40.349 -1.760 -1.248 1.00 33.26 C ATOM 188 O LEU A 15 -41.082 -0.899 -1.740 1.00 33.39 O ATOM 189 CB LEU A 15 -39.022 -3.511 -2.509 1.00 33.42 C ATOM 190 CG LEU A 15 -37.809 -3.685 -1.588 1.00 33.48 C ATOM 191 CD1 LEU A 15 -38.042 -4.832 -0.616 1.00 33.70 C ATOM 192 CD2 LEU A 15 -36.551 -3.922 -2.407 1.00 33.25 C ATOM 0 H LEU A 15 -42.180 -4.036 -2.361 1.00 34.01 H new ATOM 0 HA LEU A 15 -40.452 -3.881 -0.965 1.00 33.60 H new ATOM 0 HB2 LEU A 15 -39.151 -4.425 -3.088 1.00 33.42 H new ATOM 0 HB3 LEU A 15 -38.806 -2.712 -3.218 1.00 33.42 H new ATOM 0 HG LEU A 15 -37.675 -2.769 -1.012 1.00 33.48 H new ATOM 0 HD11 LEU A 15 -37.172 -4.943 0.031 1.00 33.70 H new ATOM 0 HD12 LEU A 15 -38.922 -4.621 -0.008 1.00 33.70 H new ATOM 0 HD13 LEU A 15 -38.199 -5.755 -1.174 1.00 33.70 H new ATOM 0 HD21 LEU A 15 -35.699 -4.044 -1.738 1.00 33.25 H new ATOM 0 HD22 LEU A 15 -36.672 -4.823 -3.008 1.00 33.25 H new ATOM 0 HD23 LEU A 15 -36.378 -3.069 -3.063 1.00 33.25 H new ATOM 204 N ALA A 16 -39.542 -1.521 -0.212 1.00 32.89 N ATOM 205 CA ALA A 16 -39.480 -0.216 0.446 1.00 32.59 C ATOM 206 C ALA A 16 -40.872 0.226 0.896 1.00 31.98 C ATOM 207 O ALA A 16 -41.441 1.184 0.374 1.00 31.63 O ATOM 208 CB ALA A 16 -38.843 0.830 -0.467 1.00 32.80 C ATOM 0 H ALA A 16 -38.919 -2.220 0.191 1.00 32.89 H new ATOM 0 HA ALA A 16 -38.850 -0.312 1.330 1.00 32.59 H new ATOM 0 HB1 ALA A 16 -38.810 1.790 0.048 1.00 32.80 H new ATOM 0 HB2 ALA A 16 -37.830 0.521 -0.723 1.00 32.80 H new ATOM 0 HB3 ALA A 16 -39.434 0.927 -1.378 1.00 32.80 H new ATOM 214 N ARG A 17 -41.407 -0.482 1.883 1.00 31.94 N ATOM 215 CA ARG A 17 -42.778 -0.269 2.354 1.00 31.46 C ATOM 216 C ARG A 17 -42.910 0.980 3.229 1.00 31.11 C ATOM 217 O ARG A 17 -43.845 1.076 4.026 1.00 31.11 O ATOM 218 CB ARG A 17 -43.241 -1.491 3.151 1.00 31.72 C ATOM 219 CG ARG A 17 -42.368 -1.793 4.362 1.00 31.75 C ATOM 220 CD ARG A 17 -42.945 -2.914 5.212 1.00 31.70 C ATOM 221 NE ARG A 17 -43.041 -4.171 4.471 1.00 31.67 N ATOM 222 CZ ARG A 17 -44.061 -5.022 4.585 1.00 31.67 C ATOM 223 NH1 ARG A 17 -45.028 -4.790 5.467 1.00 31.70 N ATOM 224 NH2 ARG A 17 -44.095 -6.122 3.842 1.00 31.71 N ATOM 0 H ARG A 17 -40.908 -1.219 2.381 1.00 31.94 H new ATOM 0 HA ARG A 17 -43.403 -0.123 1.473 1.00 31.46 H new ATOM 0 HB2 ARG A 17 -44.267 -1.331 3.483 1.00 31.72 H new ATOM 0 HB3 ARG A 17 -43.251 -2.361 2.494 1.00 31.72 H new ATOM 0 HG2 ARG A 17 -41.368 -2.069 4.029 1.00 31.75 H new ATOM 0 HG3 ARG A 17 -42.265 -0.893 4.969 1.00 31.75 H new ATOM 0 HD2 ARG A 17 -42.320 -3.060 6.093 1.00 31.70 H new ATOM 0 HD3 ARG A 17 -43.934 -2.627 5.568 1.00 31.70 H new ATOM 0 HE ARG A 17 -42.284 -4.410 3.830 1.00 31.67 H new ATOM 0 HH11 ARG A 17 -44.991 -3.960 6.058 1.00 31.70 H new ATOM 0 HH12 ARG A 17 -45.807 -5.442 5.553 1.00 31.70 H new ATOM 0 HH21 ARG A 17 -43.341 -6.316 3.184 1.00 31.71 H new ATOM 0 HH22 ARG A 17 -44.876 -6.773 3.930 1.00 31.71 H new ATOM 238 N GLU A 18 -42.005 1.940 3.045 1.00 30.90 N ATOM 239 CA GLU A 18 -41.926 3.119 3.907 1.00 30.62 C ATOM 240 C GLU A 18 -41.789 2.686 5.366 1.00 30.39 C ATOM 241 O GLU A 18 -42.748 2.738 6.137 1.00 30.35 O ATOM 242 CB GLU A 18 -43.160 4.017 3.730 1.00 30.67 C ATOM 243 CG GLU A 18 -43.080 5.331 4.500 1.00 30.69 C ATOM 244 CD GLU A 18 -44.392 6.093 4.512 1.00 30.90 C ATOM 245 OE1 GLU A 18 -45.336 5.660 5.205 1.00 30.81 O ATOM 246 OE2 GLU A 18 -44.484 7.132 3.824 1.00 31.24 O ATOM 0 H GLU A 18 -41.310 1.923 2.299 1.00 30.90 H new ATOM 0 HA GLU A 18 -41.047 3.697 3.621 1.00 30.62 H new ATOM 0 HB2 GLU A 18 -43.290 4.235 2.670 1.00 30.67 H new ATOM 0 HB3 GLU A 18 -44.045 3.470 4.054 1.00 30.67 H new ATOM 0 HG2 GLU A 18 -42.776 5.126 5.527 1.00 30.69 H new ATOM 0 HG3 GLU A 18 -42.306 5.958 4.058 1.00 30.69 H new ATOM 253 N PHE A 19 -40.602 2.219 5.730 1.00 30.33 N ATOM 254 CA PHE A 19 -40.365 1.717 7.074 1.00 30.21 C ATOM 255 C PHE A 19 -38.868 1.633 7.346 1.00 29.75 C ATOM 256 O PHE A 19 -38.349 2.287 8.248 1.00 29.69 O ATOM 257 CB PHE A 19 -41.010 0.334 7.238 1.00 30.57 C ATOM 258 CG PHE A 19 -41.120 -0.127 8.664 1.00 30.68 C ATOM 259 CD1 PHE A 19 -42.079 0.407 9.510 1.00 31.05 C ATOM 260 CD2 PHE A 19 -40.266 -1.103 9.157 1.00 30.51 C ATOM 261 CE1 PHE A 19 -42.182 -0.020 10.820 1.00 31.24 C ATOM 262 CE2 PHE A 19 -40.365 -1.532 10.466 1.00 30.71 C ATOM 263 CZ PHE A 19 -41.315 -0.968 11.306 1.00 31.07 C ATOM 0 H PHE A 19 -39.790 2.178 5.113 1.00 30.33 H new ATOM 0 HA PHE A 19 -40.814 2.404 7.792 1.00 30.21 H new ATOM 0 HB2 PHE A 19 -42.006 0.355 6.796 1.00 30.57 H new ATOM 0 HB3 PHE A 19 -40.427 -0.396 6.676 1.00 30.57 H new ATOM 0 HD1 PHE A 19 -42.754 1.166 9.141 1.00 31.05 H new ATOM 0 HD2 PHE A 19 -39.515 -1.532 8.510 1.00 30.51 H new ATOM 0 HE1 PHE A 19 -42.946 0.392 11.463 1.00 31.24 H new ATOM 0 HE2 PHE A 19 -39.705 -2.304 10.835 1.00 30.71 H new ATOM 0 HZ PHE A 19 -41.372 -1.274 12.340 1.00 31.07 H new ATOM 273 N LEU A 20 -38.176 0.830 6.548 1.00 29.50 N ATOM 274 CA LEU A 20 -36.732 0.684 6.679 1.00 29.16 C ATOM 275 C LEU A 20 -36.037 1.070 5.379 1.00 28.50 C ATOM 276 O LEU A 20 -36.670 1.154 4.325 1.00 28.35 O ATOM 277 CB LEU A 20 -36.366 -0.755 7.059 1.00 29.33 C ATOM 278 CG LEU A 20 -36.879 -1.223 8.420 1.00 29.60 C ATOM 279 CD1 LEU A 20 -36.566 -2.699 8.624 1.00 29.57 C ATOM 280 CD2 LEU A 20 -36.267 -0.382 9.536 1.00 29.85 C ATOM 0 H LEU A 20 -38.591 0.270 5.803 1.00 29.50 H new ATOM 0 HA LEU A 20 -36.394 1.352 7.472 1.00 29.16 H new ATOM 0 HB2 LEU A 20 -36.755 -1.425 6.293 1.00 29.33 H new ATOM 0 HB3 LEU A 20 -35.280 -0.852 7.046 1.00 29.33 H new ATOM 0 HG LEU A 20 -37.961 -1.095 8.449 1.00 29.60 H new ATOM 0 HD11 LEU A 20 -36.937 -3.018 9.598 1.00 29.57 H new ATOM 0 HD12 LEU A 20 -37.049 -3.285 7.842 1.00 29.57 H new ATOM 0 HD13 LEU A 20 -35.488 -2.852 8.579 1.00 29.57 H new ATOM 0 HD21 LEU A 20 -36.642 -0.727 10.499 1.00 29.85 H new ATOM 0 HD22 LEU A 20 -35.182 -0.481 9.513 1.00 29.85 H new ATOM 0 HD23 LEU A 20 -36.539 0.664 9.395 1.00 29.85 H new ATOM 292 N ALA A 21 -34.738 1.313 5.463 1.00 28.20 N ATOM 293 CA ALA A 21 -33.951 1.657 4.293 1.00 27.66 C ATOM 294 C ALA A 21 -33.212 0.432 3.775 1.00 27.05 C ATOM 295 O ALA A 21 -33.191 -0.611 4.433 1.00 26.92 O ATOM 296 CB ALA A 21 -32.977 2.775 4.629 1.00 27.59 C ATOM 0 H ALA A 21 -34.207 1.278 6.333 1.00 28.20 H new ATOM 0 HA ALA A 21 -34.620 2.008 3.507 1.00 27.66 H new ATOM 0 HB1 ALA A 21 -32.391 3.025 3.744 1.00 27.59 H new ATOM 0 HB2 ALA A 21 -33.531 3.654 4.958 1.00 27.59 H new ATOM 0 HB3 ALA A 21 -32.309 2.448 5.426 1.00 27.59 H new ATOM 302 N ALA A 22 -32.616 0.554 2.600 1.00 26.78 N ATOM 303 CA ALA A 22 -31.907 -0.561 1.995 1.00 26.29 C ATOM 304 C ALA A 22 -30.401 -0.351 2.059 1.00 25.93 C ATOM 305 O ALA A 22 -29.830 0.389 1.258 1.00 26.15 O ATOM 306 CB ALA A 22 -32.358 -0.764 0.556 1.00 26.23 C ATOM 0 H ALA A 22 -32.609 1.412 2.048 1.00 26.78 H new ATOM 0 HA ALA A 22 -32.146 -1.460 2.563 1.00 26.29 H new ATOM 0 HB1 ALA A 22 -31.816 -1.603 0.120 1.00 26.23 H new ATOM 0 HB2 ALA A 22 -33.428 -0.973 0.536 1.00 26.23 H new ATOM 0 HB3 ALA A 22 -32.154 0.139 -0.020 1.00 26.23 H new ATOM 312 N MET A 23 -29.768 -0.984 3.030 1.00 25.45 N ATOM 313 CA MET A 23 -28.321 -0.950 3.146 1.00 25.17 C ATOM 314 C MET A 23 -27.754 -2.289 2.694 1.00 24.29 C ATOM 315 O MET A 23 -27.451 -3.161 3.508 1.00 24.04 O ATOM 316 CB MET A 23 -27.892 -0.638 4.584 1.00 25.82 C ATOM 317 CG MET A 23 -26.384 -0.524 4.766 1.00 26.18 C ATOM 318 SD MET A 23 -25.655 0.781 3.759 1.00 26.73 S ATOM 319 CE MET A 23 -26.454 2.230 4.445 1.00 27.47 C ATOM 0 H MET A 23 -30.236 -1.530 3.753 1.00 25.45 H new ATOM 0 HA MET A 23 -27.930 -0.157 2.509 1.00 25.17 H new ATOM 0 HB2 MET A 23 -28.358 0.296 4.897 1.00 25.82 H new ATOM 0 HB3 MET A 23 -28.270 -1.419 5.243 1.00 25.82 H new ATOM 0 HG2 MET A 23 -26.163 -0.333 5.816 1.00 26.18 H new ATOM 0 HG3 MET A 23 -25.919 -1.476 4.511 1.00 26.18 H new ATOM 0 HE1 MET A 23 -25.913 3.124 4.136 1.00 27.47 H new ATOM 0 HE2 MET A 23 -27.481 2.284 4.084 1.00 27.47 H new ATOM 0 HE3 MET A 23 -26.455 2.164 5.533 1.00 27.47 H new ATOM 329 N GLU A 24 -27.662 -2.460 1.386 1.00 23.92 N ATOM 330 CA GLU A 24 -27.253 -3.731 0.813 1.00 23.15 C ATOM 331 C GLU A 24 -25.825 -3.656 0.285 1.00 22.22 C ATOM 332 O GLU A 24 -25.513 -2.825 -0.566 1.00 22.21 O ATOM 333 CB GLU A 24 -28.199 -4.131 -0.324 1.00 23.57 C ATOM 334 CG GLU A 24 -29.673 -4.048 0.043 1.00 23.67 C ATOM 335 CD GLU A 24 -30.051 -4.967 1.187 1.00 24.03 C ATOM 336 OE1 GLU A 24 -30.134 -6.194 0.965 1.00 24.41 O ATOM 337 OE2 GLU A 24 -30.280 -4.472 2.309 1.00 24.02 O ATOM 0 H GLU A 24 -27.865 -1.733 0.700 1.00 23.92 H new ATOM 0 HA GLU A 24 -27.296 -4.483 1.601 1.00 23.15 H new ATOM 0 HB2 GLU A 24 -28.012 -3.487 -1.183 1.00 23.57 H new ATOM 0 HB3 GLU A 24 -27.969 -5.150 -0.634 1.00 23.57 H new ATOM 0 HG2 GLU A 24 -29.917 -3.021 0.314 1.00 23.67 H new ATOM 0 HG3 GLU A 24 -30.274 -4.299 -0.831 1.00 23.67 H new ATOM 344 N PRO A 25 -24.932 -4.508 0.801 1.00 21.54 N ATOM 345 CA PRO A 25 -23.557 -4.592 0.325 1.00 20.70 C ATOM 346 C PRO A 25 -23.465 -5.373 -0.982 1.00 19.96 C ATOM 347 O PRO A 25 -23.696 -6.583 -1.007 1.00 19.79 O ATOM 348 CB PRO A 25 -22.821 -5.339 1.449 1.00 20.35 C ATOM 349 CG PRO A 25 -23.825 -5.526 2.545 1.00 20.99 C ATOM 350 CD PRO A 25 -25.173 -5.452 1.893 1.00 21.63 C ATOM 0 HA PRO A 25 -23.135 -3.609 0.115 1.00 20.70 H new ATOM 0 HB2 PRO A 25 -22.443 -6.299 1.098 1.00 20.35 H new ATOM 0 HB3 PRO A 25 -21.962 -4.768 1.800 1.00 20.35 H new ATOM 0 HG2 PRO A 25 -23.685 -6.486 3.042 1.00 20.99 H new ATOM 0 HG3 PRO A 25 -23.718 -4.754 3.307 1.00 20.99 H new ATOM 0 HD2 PRO A 25 -25.503 -6.424 1.526 1.00 21.63 H new ATOM 0 HD3 PRO A 25 -25.939 -5.094 2.580 1.00 21.63 H new ATOM 358 N GLU A 26 -23.141 -4.678 -2.061 1.00 19.63 N ATOM 359 CA GLU A 26 -23.029 -5.307 -3.370 1.00 19.01 C ATOM 360 C GLU A 26 -21.789 -6.200 -3.429 1.00 17.82 C ATOM 361 O GLU A 26 -20.769 -5.891 -2.813 1.00 17.39 O ATOM 362 CB GLU A 26 -22.988 -4.243 -4.472 1.00 19.23 C ATOM 363 CG GLU A 26 -24.217 -3.346 -4.483 1.00 19.90 C ATOM 364 CD GLU A 26 -24.283 -2.447 -5.700 1.00 20.41 C ATOM 365 OE1 GLU A 26 -23.591 -1.406 -5.720 1.00 20.67 O ATOM 366 OE2 GLU A 26 -25.037 -2.768 -6.643 1.00 20.64 O ATOM 0 H GLU A 26 -22.950 -3.676 -2.057 1.00 19.63 H new ATOM 0 HA GLU A 26 -23.907 -5.933 -3.533 1.00 19.01 H new ATOM 0 HB2 GLU A 26 -22.098 -3.628 -4.341 1.00 19.23 H new ATOM 0 HB3 GLU A 26 -22.896 -4.735 -5.440 1.00 19.23 H new ATOM 0 HG2 GLU A 26 -25.113 -3.966 -4.447 1.00 19.90 H new ATOM 0 HG3 GLU A 26 -24.219 -2.731 -3.583 1.00 19.90 H new ATOM 373 N PRO A 27 -21.873 -7.326 -4.160 1.00 17.38 N ATOM 374 CA PRO A 27 -20.806 -8.341 -4.215 1.00 16.31 C ATOM 375 C PRO A 27 -19.459 -7.799 -4.692 1.00 15.58 C ATOM 376 O PRO A 27 -19.212 -7.667 -5.893 1.00 15.74 O ATOM 377 CB PRO A 27 -21.338 -9.371 -5.215 1.00 16.33 C ATOM 378 CG PRO A 27 -22.812 -9.172 -5.228 1.00 17.43 C ATOM 379 CD PRO A 27 -23.028 -7.706 -4.991 1.00 18.02 C ATOM 0 HA PRO A 27 -20.602 -8.738 -3.221 1.00 16.31 H new ATOM 0 HB2 PRO A 27 -20.910 -9.216 -6.206 1.00 16.33 H new ATOM 0 HB3 PRO A 27 -21.080 -10.385 -4.911 1.00 16.33 H new ATOM 0 HG2 PRO A 27 -23.240 -9.481 -6.182 1.00 17.43 H new ATOM 0 HG3 PRO A 27 -23.294 -9.769 -4.454 1.00 17.43 H new ATOM 0 HD2 PRO A 27 -23.053 -7.146 -5.926 1.00 18.02 H new ATOM 0 HD3 PRO A 27 -23.972 -7.515 -4.480 1.00 18.02 H new ATOM 387 N ALA A 28 -18.600 -7.467 -3.740 1.00 14.93 N ATOM 388 CA ALA A 28 -17.241 -7.050 -4.036 1.00 14.31 C ATOM 389 C ALA A 28 -16.246 -7.987 -3.360 1.00 13.28 C ATOM 390 O ALA A 28 -16.487 -8.451 -2.245 1.00 12.82 O ATOM 391 CB ALA A 28 -17.008 -5.618 -3.583 1.00 14.27 C ATOM 0 H ALA A 28 -18.826 -7.479 -2.745 1.00 14.93 H new ATOM 0 HA ALA A 28 -17.093 -7.096 -5.115 1.00 14.31 H new ATOM 0 HB1 ALA A 28 -15.984 -5.325 -3.814 1.00 14.27 H new ATOM 0 HB2 ALA A 28 -17.701 -4.955 -4.102 1.00 14.27 H new ATOM 0 HB3 ALA A 28 -17.172 -5.545 -2.508 1.00 14.27 H new ATOM 397 N PRO A 29 -15.130 -8.296 -4.030 1.00 13.06 N ATOM 398 CA PRO A 29 -14.059 -9.105 -3.459 1.00 12.21 C ATOM 399 C PRO A 29 -13.155 -8.280 -2.563 1.00 11.34 C ATOM 400 O PRO A 29 -13.162 -7.051 -2.633 1.00 11.36 O ATOM 401 CB PRO A 29 -13.266 -9.597 -4.673 1.00 12.51 C ATOM 402 CG PRO A 29 -13.960 -9.038 -5.879 1.00 13.50 C ATOM 403 CD PRO A 29 -14.811 -7.896 -5.401 1.00 13.81 C ATOM 0 HA PRO A 29 -14.453 -9.913 -2.842 1.00 12.21 H new ATOM 0 HB2 PRO A 29 -12.231 -9.257 -4.626 1.00 12.51 H new ATOM 0 HB3 PRO A 29 -13.242 -10.686 -4.707 1.00 12.51 H new ATOM 0 HG2 PRO A 29 -13.235 -8.697 -6.618 1.00 13.50 H new ATOM 0 HG3 PRO A 29 -14.572 -9.801 -6.361 1.00 13.50 H new ATOM 0 HD2 PRO A 29 -14.274 -6.948 -5.433 1.00 13.81 H new ATOM 0 HD3 PRO A 29 -15.708 -7.775 -6.008 1.00 13.81 H new ATOM 411 N ALA A 30 -12.378 -8.971 -1.739 1.00 10.76 N ATOM 412 CA ALA A 30 -11.498 -8.328 -0.773 1.00 10.06 C ATOM 413 C ALA A 30 -12.294 -7.451 0.189 1.00 8.93 C ATOM 414 O ALA A 30 -12.195 -6.225 0.158 1.00 8.35 O ATOM 415 CB ALA A 30 -10.405 -7.525 -1.472 1.00 10.54 C ATOM 0 H ALA A 30 -12.340 -9.990 -1.722 1.00 10.76 H new ATOM 0 HA ALA A 30 -11.012 -9.111 -0.190 1.00 10.06 H new ATOM 0 HB1 ALA A 30 -9.764 -7.057 -0.725 1.00 10.54 H new ATOM 0 HB2 ALA A 30 -9.809 -8.190 -2.097 1.00 10.54 H new ATOM 0 HB3 ALA A 30 -10.861 -6.754 -2.094 1.00 10.54 H new ATOM 421 N PRO A 31 -13.114 -8.079 1.049 1.00 8.82 N ATOM 422 CA PRO A 31 -13.944 -7.374 2.021 1.00 7.95 C ATOM 423 C PRO A 31 -13.108 -6.868 3.184 1.00 6.75 C ATOM 424 O PRO A 31 -13.219 -7.356 4.315 1.00 6.83 O ATOM 425 CB PRO A 31 -14.950 -8.437 2.498 1.00 8.63 C ATOM 426 CG PRO A 31 -14.707 -9.643 1.644 1.00 9.60 C ATOM 427 CD PRO A 31 -13.297 -9.525 1.150 1.00 9.77 C ATOM 0 HA PRO A 31 -14.430 -6.497 1.594 1.00 7.95 H new ATOM 0 HB2 PRO A 31 -14.803 -8.669 3.553 1.00 8.63 H new ATOM 0 HB3 PRO A 31 -15.975 -8.082 2.390 1.00 8.63 H new ATOM 0 HG2 PRO A 31 -14.844 -10.560 2.217 1.00 9.60 H new ATOM 0 HG3 PRO A 31 -15.410 -9.679 0.812 1.00 9.60 H new ATOM 0 HD2 PRO A 31 -12.586 -9.976 1.842 1.00 9.77 H new ATOM 0 HD3 PRO A 31 -13.162 -10.019 0.188 1.00 9.77 H new ATOM 435 N ALA A 32 -12.248 -5.910 2.892 1.00 5.86 N ATOM 436 CA ALA A 32 -11.352 -5.373 3.888 1.00 4.75 C ATOM 437 C ALA A 32 -12.095 -4.418 4.810 1.00 3.89 C ATOM 438 O ALA A 32 -13.014 -3.723 4.379 1.00 3.98 O ATOM 439 CB ALA A 32 -10.178 -4.674 3.221 1.00 4.57 C ATOM 0 H ALA A 32 -12.154 -5.489 1.968 1.00 5.86 H new ATOM 0 HA ALA A 32 -10.964 -6.196 4.489 1.00 4.75 H new ATOM 0 HB1 ALA A 32 -9.511 -4.274 3.985 1.00 4.57 H new ATOM 0 HB2 ALA A 32 -9.634 -5.387 2.601 1.00 4.57 H new ATOM 0 HB3 ALA A 32 -10.546 -3.859 2.598 1.00 4.57 H new ATOM 445 N PRO A 33 -11.724 -4.381 6.097 1.00 3.62 N ATOM 446 CA PRO A 33 -12.361 -3.492 7.070 1.00 3.45 C ATOM 447 C PRO A 33 -12.060 -2.021 6.797 1.00 2.48 C ATOM 448 O PRO A 33 -12.834 -1.139 7.166 1.00 3.06 O ATOM 449 CB PRO A 33 -11.750 -3.925 8.404 1.00 4.15 C ATOM 450 CG PRO A 33 -10.456 -4.569 8.048 1.00 4.47 C ATOM 451 CD PRO A 33 -10.671 -5.213 6.708 1.00 4.26 C ATOM 0 HA PRO A 33 -13.448 -3.569 7.040 1.00 3.45 H new ATOM 0 HB2 PRO A 33 -11.597 -3.070 9.063 1.00 4.15 H new ATOM 0 HB3 PRO A 33 -12.404 -4.620 8.930 1.00 4.15 H new ATOM 0 HG2 PRO A 33 -9.653 -3.833 8.003 1.00 4.47 H new ATOM 0 HG3 PRO A 33 -10.169 -5.309 8.795 1.00 4.47 H new ATOM 0 HD2 PRO A 33 -9.760 -5.212 6.110 1.00 4.26 H new ATOM 0 HD3 PRO A 33 -10.986 -6.252 6.807 1.00 4.26 H new ATOM 459 N GLU A 34 -10.939 -1.768 6.132 1.00 1.57 N ATOM 460 CA GLU A 34 -10.488 -0.412 5.871 1.00 1.27 C ATOM 461 C GLU A 34 -9.975 -0.267 4.441 1.00 1.08 C ATOM 462 O GLU A 34 -9.054 -0.974 4.025 1.00 1.44 O ATOM 463 CB GLU A 34 -9.379 -0.034 6.853 1.00 2.01 C ATOM 464 CG GLU A 34 -9.834 0.047 8.301 1.00 2.68 C ATOM 465 CD GLU A 34 -8.669 0.164 9.257 1.00 3.58 C ATOM 466 OE1 GLU A 34 -8.093 1.264 9.369 1.00 4.13 O ATOM 467 OE2 GLU A 34 -8.305 -0.854 9.882 1.00 4.13 O ATOM 0 H GLU A 34 -10.323 -2.492 5.762 1.00 1.57 H new ATOM 0 HA GLU A 34 -11.338 0.257 6.001 1.00 1.27 H new ATOM 0 HB2 GLU A 34 -8.575 -0.766 6.776 1.00 2.01 H new ATOM 0 HB3 GLU A 34 -8.962 0.929 6.560 1.00 2.01 H new ATOM 0 HG2 GLU A 34 -10.493 0.906 8.426 1.00 2.68 H new ATOM 0 HG3 GLU A 34 -10.417 -0.840 8.548 1.00 2.68 H new ATOM 474 N GLU A 35 -10.575 0.654 3.702 1.00 1.01 N ATOM 475 CA GLU A 35 -10.148 0.967 2.346 1.00 0.87 C ATOM 476 C GLU A 35 -9.158 2.124 2.377 1.00 0.73 C ATOM 477 O GLU A 35 -9.547 3.280 2.581 1.00 0.89 O ATOM 478 CB GLU A 35 -11.361 1.342 1.480 1.00 1.09 C ATOM 479 CG GLU A 35 -12.356 0.206 1.291 1.00 1.72 C ATOM 480 CD GLU A 35 -11.779 -0.935 0.486 1.00 1.94 C ATOM 481 OE1 GLU A 35 -11.830 -0.872 -0.761 1.00 2.45 O ATOM 482 OE2 GLU A 35 -11.247 -1.885 1.099 1.00 2.36 O ATOM 0 H GLU A 35 -11.371 1.205 4.025 1.00 1.01 H new ATOM 0 HA GLU A 35 -9.667 0.090 1.914 1.00 0.87 H new ATOM 0 HB2 GLU A 35 -11.873 2.189 1.936 1.00 1.09 H new ATOM 0 HB3 GLU A 35 -11.010 1.671 0.502 1.00 1.09 H new ATOM 0 HG2 GLU A 35 -12.671 -0.164 2.267 1.00 1.72 H new ATOM 0 HG3 GLU A 35 -13.247 0.586 0.791 1.00 1.72 H new ATOM 489 N TRP A 36 -7.877 1.823 2.213 1.00 0.53 N ATOM 490 CA TRP A 36 -6.863 2.870 2.222 1.00 0.45 C ATOM 491 C TRP A 36 -6.684 3.429 0.817 1.00 0.46 C ATOM 492 O TRP A 36 -7.456 3.119 -0.092 1.00 0.52 O ATOM 493 CB TRP A 36 -5.510 2.353 2.721 1.00 0.38 C ATOM 494 CG TRP A 36 -5.574 1.288 3.772 1.00 0.34 C ATOM 495 CD1 TRP A 36 -6.482 1.158 4.786 1.00 0.39 C ATOM 496 CD2 TRP A 36 -4.654 0.205 3.918 1.00 0.27 C ATOM 497 NE1 TRP A 36 -6.187 0.045 5.538 1.00 0.36 N ATOM 498 CE2 TRP A 36 -5.069 -0.555 5.023 1.00 0.28 C ATOM 499 CE3 TRP A 36 -3.524 -0.202 3.207 1.00 0.21 C ATOM 500 CZ2 TRP A 36 -4.383 -1.693 5.439 1.00 0.24 C ATOM 501 CZ3 TRP A 36 -2.852 -1.325 3.621 1.00 0.17 C ATOM 502 CH2 TRP A 36 -3.282 -2.064 4.722 1.00 0.19 C ATOM 0 H TRP A 36 -7.518 0.878 2.074 1.00 0.53 H new ATOM 0 HA TRP A 36 -7.208 3.648 2.903 1.00 0.45 H new ATOM 0 HB2 TRP A 36 -4.952 1.965 1.869 1.00 0.38 H new ATOM 0 HB3 TRP A 36 -4.942 3.195 3.116 1.00 0.38 H new ATOM 0 HD1 TRP A 36 -7.308 1.829 4.969 1.00 0.39 H new ATOM 0 HE1 TRP A 36 -6.715 -0.281 6.348 1.00 0.36 H new ATOM 0 HE3 TRP A 36 -3.185 0.356 2.347 1.00 0.21 H new ATOM 0 HZ2 TRP A 36 -4.710 -2.261 6.297 1.00 0.24 H new ATOM 0 HZ3 TRP A 36 -1.972 -1.643 3.082 1.00 0.17 H new ATOM 0 HH2 TRP A 36 -2.733 -2.947 5.014 1.00 0.19 H new ATOM 513 N LEU A 37 -5.659 4.245 0.648 1.00 0.43 N ATOM 514 CA LEU A 37 -5.332 4.812 -0.651 1.00 0.42 C ATOM 515 C LEU A 37 -4.714 3.755 -1.546 1.00 0.37 C ATOM 516 O LEU A 37 -3.605 3.288 -1.280 1.00 0.35 O ATOM 517 CB LEU A 37 -4.340 5.966 -0.474 1.00 0.45 C ATOM 518 CG LEU A 37 -3.903 6.674 -1.761 1.00 0.46 C ATOM 519 CD1 LEU A 37 -5.088 7.350 -2.427 1.00 0.49 C ATOM 520 CD2 LEU A 37 -2.798 7.684 -1.470 1.00 0.50 C ATOM 0 H LEU A 37 -5.033 4.533 1.400 1.00 0.43 H new ATOM 0 HA LEU A 37 -6.248 5.180 -1.113 1.00 0.42 H new ATOM 0 HB2 LEU A 37 -4.787 6.705 0.191 1.00 0.45 H new ATOM 0 HB3 LEU A 37 -3.451 5.582 0.027 1.00 0.45 H new ATOM 0 HG LEU A 37 -3.507 5.925 -2.447 1.00 0.46 H new ATOM 0 HD11 LEU A 37 -4.758 7.847 -3.339 1.00 0.49 H new ATOM 0 HD12 LEU A 37 -5.842 6.602 -2.674 1.00 0.49 H new ATOM 0 HD13 LEU A 37 -5.516 8.086 -1.747 1.00 0.49 H new ATOM 0 HD21 LEU A 37 -2.502 8.176 -2.396 1.00 0.50 H new ATOM 0 HD22 LEU A 37 -3.163 8.430 -0.764 1.00 0.50 H new ATOM 0 HD23 LEU A 37 -1.938 7.169 -1.041 1.00 0.50 H new ATOM 532 N ASP A 38 -5.426 3.354 -2.588 1.00 0.38 N ATOM 533 CA ASP A 38 -4.843 2.441 -3.549 1.00 0.41 C ATOM 534 C ASP A 38 -3.858 3.182 -4.428 1.00 0.39 C ATOM 535 O ASP A 38 -4.185 4.205 -5.033 1.00 0.44 O ATOM 536 CB ASP A 38 -5.887 1.737 -4.407 1.00 0.56 C ATOM 537 CG ASP A 38 -5.288 0.533 -5.114 1.00 1.78 C ATOM 538 OD1 ASP A 38 -4.696 0.700 -6.190 1.00 2.14 O ATOM 539 OD2 ASP A 38 -5.402 -0.590 -4.591 1.00 2.51 O ATOM 0 H ASP A 38 -6.385 3.640 -2.785 1.00 0.38 H new ATOM 0 HA ASP A 38 -4.328 1.665 -2.983 1.00 0.41 H new ATOM 0 HB2 ASP A 38 -6.722 1.418 -3.782 1.00 0.56 H new ATOM 0 HB3 ASP A 38 -6.288 2.434 -5.143 1.00 0.56 H new ATOM 544 N ILE A 39 -2.656 2.644 -4.482 1.00 0.38 N ATOM 545 CA ILE A 39 -1.552 3.239 -5.209 1.00 0.38 C ATOM 546 C ILE A 39 -1.893 3.383 -6.685 1.00 0.39 C ATOM 547 O ILE A 39 -1.439 4.313 -7.355 1.00 0.46 O ATOM 548 CB ILE A 39 -0.285 2.378 -5.039 1.00 0.39 C ATOM 549 CG1 ILE A 39 -0.019 2.149 -3.545 1.00 0.40 C ATOM 550 CG2 ILE A 39 0.911 3.019 -5.728 1.00 0.41 C ATOM 551 CD1 ILE A 39 1.392 1.690 -3.224 1.00 0.43 C ATOM 0 H ILE A 39 -2.415 1.769 -4.016 1.00 0.38 H new ATOM 0 HA ILE A 39 -1.366 4.233 -4.802 1.00 0.38 H new ATOM 0 HB ILE A 39 -0.445 1.411 -5.517 1.00 0.39 H new ATOM 0 HG12 ILE A 39 -0.218 3.075 -3.006 1.00 0.40 H new ATOM 0 HG13 ILE A 39 -0.724 1.406 -3.172 1.00 0.40 H new ATOM 0 HG21 ILE A 39 1.790 2.389 -5.591 1.00 0.41 H new ATOM 0 HG22 ILE A 39 0.703 3.126 -6.793 1.00 0.41 H new ATOM 0 HG23 ILE A 39 1.097 4.001 -5.294 1.00 0.41 H new ATOM 0 HD11 ILE A 39 1.494 1.552 -2.148 1.00 0.43 H new ATOM 0 HD12 ILE A 39 1.592 0.746 -3.731 1.00 0.43 H new ATOM 0 HD13 ILE A 39 2.105 2.442 -3.563 1.00 0.43 H new ATOM 563 N LEU A 40 -2.724 2.474 -7.171 1.00 0.39 N ATOM 564 CA LEU A 40 -3.151 2.496 -8.562 1.00 0.49 C ATOM 565 C LEU A 40 -4.638 2.803 -8.660 1.00 0.49 C ATOM 566 O LEU A 40 -5.181 2.980 -9.750 1.00 0.62 O ATOM 567 CB LEU A 40 -2.847 1.154 -9.230 1.00 0.56 C ATOM 568 CG LEU A 40 -1.383 0.715 -9.178 1.00 0.59 C ATOM 569 CD1 LEU A 40 -1.203 -0.594 -9.925 1.00 0.62 C ATOM 570 CD2 LEU A 40 -0.478 1.785 -9.769 1.00 0.72 C ATOM 0 H LEU A 40 -3.117 1.710 -6.621 1.00 0.39 H new ATOM 0 HA LEU A 40 -2.599 3.281 -9.079 1.00 0.49 H new ATOM 0 HB2 LEU A 40 -3.457 0.385 -8.756 1.00 0.56 H new ATOM 0 HB3 LEU A 40 -3.156 1.208 -10.274 1.00 0.56 H new ATOM 0 HG LEU A 40 -1.105 0.569 -8.134 1.00 0.59 H new ATOM 0 HD11 LEU A 40 -0.157 -0.897 -9.881 1.00 0.62 H new ATOM 0 HD12 LEU A 40 -1.823 -1.364 -9.465 1.00 0.62 H new ATOM 0 HD13 LEU A 40 -1.500 -0.463 -10.966 1.00 0.62 H new ATOM 0 HD21 LEU A 40 0.559 1.452 -9.722 1.00 0.72 H new ATOM 0 HD22 LEU A 40 -0.755 1.962 -10.808 1.00 0.72 H new ATOM 0 HD23 LEU A 40 -0.588 2.709 -9.201 1.00 0.72 H new ATOM 582 N GLY A 41 -5.282 2.875 -7.503 1.00 0.43 N ATOM 583 CA GLY A 41 -6.721 3.036 -7.440 1.00 0.51 C ATOM 584 C GLY A 41 -7.446 1.813 -7.973 1.00 0.45 C ATOM 585 O GLY A 41 -8.613 1.890 -8.364 1.00 0.52 O ATOM 0 H GLY A 41 -4.824 2.824 -6.593 1.00 0.43 H new ATOM 0 HA2 GLY A 41 -7.022 3.217 -6.408 1.00 0.51 H new ATOM 0 HA3 GLY A 41 -7.015 3.913 -8.016 1.00 0.51 H new ATOM 589 N ASN A 42 -6.759 0.674 -7.981 1.00 0.39 N ATOM 590 CA ASN A 42 -7.328 -0.533 -8.570 1.00 0.42 C ATOM 591 C ASN A 42 -7.840 -1.531 -7.521 1.00 0.43 C ATOM 592 O ASN A 42 -8.651 -2.399 -7.849 1.00 0.56 O ATOM 593 CB ASN A 42 -6.351 -1.189 -9.559 1.00 0.49 C ATOM 594 CG ASN A 42 -5.172 -1.938 -8.948 1.00 0.55 C ATOM 595 OD1 ASN A 42 -4.686 -2.901 -9.540 1.00 0.95 O ATOM 596 ND2 ASN A 42 -4.685 -1.516 -7.792 1.00 0.44 N ATOM 0 H ASN A 42 -5.822 0.562 -7.593 1.00 0.39 H new ATOM 0 HA ASN A 42 -8.206 -0.217 -9.133 1.00 0.42 H new ATOM 0 HB2 ASN A 42 -6.912 -1.885 -10.183 1.00 0.49 H new ATOM 0 HB3 ASN A 42 -5.959 -0.414 -10.218 1.00 0.49 H new ATOM 0 HD21 ASN A 42 -3.887 -1.992 -7.370 1.00 0.44 H new ATOM 0 HD22 ASN A 42 -5.107 -0.715 -7.323 1.00 0.44 H new ATOM 603 N GLY A 43 -7.372 -1.431 -6.275 1.00 0.40 N ATOM 604 CA GLY A 43 -8.025 -2.150 -5.192 1.00 0.50 C ATOM 605 C GLY A 43 -7.106 -3.045 -4.374 1.00 0.45 C ATOM 606 O GLY A 43 -7.374 -3.296 -3.200 1.00 0.72 O ATOM 0 H GLY A 43 -6.564 -0.873 -6.000 1.00 0.40 H new ATOM 0 HA2 GLY A 43 -8.492 -1.426 -4.524 1.00 0.50 H new ATOM 0 HA3 GLY A 43 -8.825 -2.761 -5.611 1.00 0.50 H new ATOM 610 N LEU A 44 -6.018 -3.520 -4.967 1.00 0.29 N ATOM 611 CA LEU A 44 -5.197 -4.537 -4.308 1.00 0.36 C ATOM 612 C LEU A 44 -3.877 -3.985 -3.766 1.00 0.25 C ATOM 613 O LEU A 44 -3.172 -4.670 -3.031 1.00 0.27 O ATOM 614 CB LEU A 44 -4.934 -5.750 -5.236 1.00 0.60 C ATOM 615 CG LEU A 44 -4.639 -5.488 -6.727 1.00 0.51 C ATOM 616 CD1 LEU A 44 -5.916 -5.171 -7.495 1.00 1.46 C ATOM 617 CD2 LEU A 44 -3.619 -4.379 -6.907 1.00 1.56 C ATOM 0 H LEU A 44 -5.685 -3.227 -5.885 1.00 0.29 H new ATOM 0 HA LEU A 44 -5.779 -4.874 -3.450 1.00 0.36 H new ATOM 0 HB2 LEU A 44 -4.091 -6.305 -4.824 1.00 0.60 H new ATOM 0 HB3 LEU A 44 -5.804 -6.404 -5.181 1.00 0.60 H new ATOM 0 HG LEU A 44 -4.213 -6.404 -7.137 1.00 0.51 H new ATOM 0 HD11 LEU A 44 -5.675 -4.991 -8.543 1.00 1.46 H new ATOM 0 HD12 LEU A 44 -6.604 -6.013 -7.420 1.00 1.46 H new ATOM 0 HD13 LEU A 44 -6.384 -4.282 -7.072 1.00 1.46 H new ATOM 0 HD21 LEU A 44 -3.436 -4.222 -7.970 1.00 1.56 H new ATOM 0 HD22 LEU A 44 -4.000 -3.459 -6.465 1.00 1.56 H new ATOM 0 HD23 LEU A 44 -2.687 -4.659 -6.416 1.00 1.56 H new ATOM 629 N LEU A 45 -3.533 -2.768 -4.147 1.00 0.23 N ATOM 630 CA LEU A 45 -2.264 -2.171 -3.743 1.00 0.22 C ATOM 631 C LEU A 45 -2.487 -0.843 -3.011 1.00 0.22 C ATOM 632 O LEU A 45 -2.710 0.177 -3.642 1.00 0.32 O ATOM 633 CB LEU A 45 -1.392 -2.003 -4.989 1.00 0.30 C ATOM 634 CG LEU A 45 -0.122 -1.180 -4.821 1.00 0.26 C ATOM 635 CD1 LEU A 45 0.739 -1.740 -3.706 1.00 0.28 C ATOM 636 CD2 LEU A 45 0.642 -1.162 -6.128 1.00 0.31 C ATOM 0 H LEU A 45 -4.112 -2.170 -4.736 1.00 0.23 H new ATOM 0 HA LEU A 45 -1.752 -2.824 -3.037 1.00 0.22 H new ATOM 0 HB2 LEU A 45 -1.112 -2.994 -5.346 1.00 0.30 H new ATOM 0 HB3 LEU A 45 -1.997 -1.542 -5.770 1.00 0.30 H new ATOM 0 HG LEU A 45 -0.393 -0.159 -4.550 1.00 0.26 H new ATOM 0 HD11 LEU A 45 1.641 -1.136 -3.604 1.00 0.28 H new ATOM 0 HD12 LEU A 45 0.181 -1.719 -2.770 1.00 0.28 H new ATOM 0 HD13 LEU A 45 1.015 -2.768 -3.941 1.00 0.28 H new ATOM 0 HD21 LEU A 45 1.552 -0.573 -6.010 1.00 0.31 H new ATOM 0 HD22 LEU A 45 0.904 -2.182 -6.410 1.00 0.31 H new ATOM 0 HD23 LEU A 45 0.021 -0.718 -6.906 1.00 0.31 H new ATOM 648 N ARG A 46 -2.409 -0.854 -1.680 1.00 0.20 N ATOM 649 CA ARG A 46 -2.787 0.325 -0.885 1.00 0.22 C ATOM 650 C ARG A 46 -1.859 0.552 0.300 1.00 0.19 C ATOM 651 O ARG A 46 -1.412 -0.399 0.926 1.00 0.19 O ATOM 652 CB ARG A 46 -4.207 0.148 -0.362 1.00 0.25 C ATOM 653 CG ARG A 46 -5.219 -0.018 -1.466 1.00 0.36 C ATOM 654 CD ARG A 46 -6.595 -0.363 -0.936 1.00 0.37 C ATOM 655 NE ARG A 46 -6.596 -1.615 -0.188 1.00 0.54 N ATOM 656 CZ ARG A 46 -7.699 -2.177 0.299 1.00 0.75 C ATOM 657 NH1 ARG A 46 -8.878 -1.647 0.028 1.00 1.14 N ATOM 658 NH2 ARG A 46 -7.622 -3.276 1.034 1.00 0.99 N ATOM 0 H ARG A 46 -2.092 -1.653 -1.131 1.00 0.20 H new ATOM 0 HA ARG A 46 -2.713 1.192 -1.541 1.00 0.22 H new ATOM 0 HB2 ARG A 46 -4.243 -0.724 0.292 1.00 0.25 H new ATOM 0 HB3 ARG A 46 -4.476 1.013 0.245 1.00 0.25 H new ATOM 0 HG2 ARG A 46 -5.276 0.903 -2.046 1.00 0.36 H new ATOM 0 HG3 ARG A 46 -4.887 -0.802 -2.146 1.00 0.36 H new ATOM 0 HD2 ARG A 46 -6.948 0.443 -0.293 1.00 0.37 H new ATOM 0 HD3 ARG A 46 -7.295 -0.437 -1.768 1.00 0.37 H new ATOM 0 HE ARG A 46 -5.704 -2.084 -0.030 1.00 0.54 H new ATOM 0 HH11 ARG A 46 -8.940 -0.810 -0.552 1.00 1.14 H new ATOM 0 HH12 ARG A 46 -9.727 -2.074 0.399 1.00 1.14 H new ATOM 0 HH21 ARG A 46 -6.713 -3.696 1.229 1.00 0.99 H new ATOM 0 HH22 ARG A 46 -8.471 -3.702 1.405 1.00 0.99 H new ATOM 672 N LYS A 47 -1.625 1.820 0.629 1.00 0.20 N ATOM 673 CA LYS A 47 -0.757 2.191 1.747 1.00 0.17 C ATOM 674 C LYS A 47 -1.563 2.922 2.824 1.00 0.18 C ATOM 675 O LYS A 47 -2.313 3.846 2.519 1.00 0.22 O ATOM 676 CB LYS A 47 0.379 3.108 1.273 1.00 0.23 C ATOM 677 CG LYS A 47 1.536 3.182 2.258 1.00 0.25 C ATOM 678 CD LYS A 47 2.282 4.508 2.202 1.00 0.32 C ATOM 679 CE LYS A 47 1.397 5.686 2.578 1.00 0.20 C ATOM 680 NZ LYS A 47 2.201 6.900 2.880 1.00 0.35 N ATOM 0 H LYS A 47 -2.028 2.615 0.133 1.00 0.20 H new ATOM 0 HA LYS A 47 -0.334 1.275 2.159 1.00 0.17 H new ATOM 0 HB2 LYS A 47 0.750 2.751 0.312 1.00 0.23 H new ATOM 0 HB3 LYS A 47 -0.016 4.111 1.109 1.00 0.23 H new ATOM 0 HG2 LYS A 47 1.156 3.028 3.268 1.00 0.25 H new ATOM 0 HG3 LYS A 47 2.234 2.370 2.052 1.00 0.25 H new ATOM 0 HD2 LYS A 47 3.137 4.470 2.877 1.00 0.32 H new ATOM 0 HD3 LYS A 47 2.675 4.659 1.197 1.00 0.32 H new ATOM 0 HE2 LYS A 47 0.708 5.899 1.761 1.00 0.20 H new ATOM 0 HE3 LYS A 47 0.792 5.425 3.446 1.00 0.20 H new ATOM 0 HZ1 LYS A 47 1.564 7.692 3.099 1.00 0.35 H new ATOM 0 HZ2 LYS A 47 2.817 6.714 3.697 1.00 0.35 H new ATOM 0 HZ3 LYS A 47 2.785 7.144 2.055 1.00 0.35 H new ATOM 694 N LYS A 48 -1.411 2.509 4.077 1.00 0.16 N ATOM 695 CA LYS A 48 -2.050 3.194 5.197 1.00 0.18 C ATOM 696 C LYS A 48 -1.004 3.877 6.073 1.00 0.17 C ATOM 697 O LYS A 48 -0.065 3.234 6.547 1.00 0.22 O ATOM 698 CB LYS A 48 -2.849 2.206 6.050 1.00 0.25 C ATOM 699 CG LYS A 48 -3.571 2.857 7.219 1.00 0.32 C ATOM 700 CD LYS A 48 -3.262 2.154 8.535 1.00 0.69 C ATOM 701 CE LYS A 48 -3.838 0.751 8.581 1.00 0.52 C ATOM 702 NZ LYS A 48 -5.319 0.761 8.654 1.00 1.07 N ATOM 0 H LYS A 48 -0.849 1.701 4.344 1.00 0.16 H new ATOM 0 HA LYS A 48 -2.726 3.944 4.787 1.00 0.18 H new ATOM 0 HB2 LYS A 48 -3.580 1.701 5.418 1.00 0.25 H new ATOM 0 HB3 LYS A 48 -2.174 1.440 6.432 1.00 0.25 H new ATOM 0 HG2 LYS A 48 -3.279 3.905 7.289 1.00 0.32 H new ATOM 0 HG3 LYS A 48 -4.646 2.837 7.039 1.00 0.32 H new ATOM 0 HD2 LYS A 48 -2.182 2.107 8.676 1.00 0.69 H new ATOM 0 HD3 LYS A 48 -3.666 2.739 9.362 1.00 0.69 H new ATOM 0 HE2 LYS A 48 -3.522 0.200 7.695 1.00 0.52 H new ATOM 0 HE3 LYS A 48 -3.436 0.222 9.445 1.00 0.52 H new ATOM 0 HZ1 LYS A 48 -5.640 0.009 9.297 1.00 1.07 H new ATOM 0 HZ2 LYS A 48 -5.643 1.683 9.010 1.00 1.07 H new ATOM 0 HZ3 LYS A 48 -5.714 0.598 7.706 1.00 1.07 H new ATOM 716 N THR A 49 -1.178 5.167 6.297 1.00 0.18 N ATOM 717 CA THR A 49 -0.276 5.924 7.145 1.00 0.20 C ATOM 718 C THR A 49 -0.592 5.715 8.620 1.00 0.21 C ATOM 719 O THR A 49 -1.534 6.301 9.150 1.00 0.29 O ATOM 720 CB THR A 49 -0.360 7.426 6.821 1.00 0.25 C ATOM 721 OG1 THR A 49 -1.730 7.794 6.609 1.00 0.33 O ATOM 722 CG2 THR A 49 0.455 7.763 5.584 1.00 0.25 C ATOM 0 H THR A 49 -1.941 5.715 5.900 1.00 0.18 H new ATOM 0 HA THR A 49 0.733 5.562 6.947 1.00 0.20 H new ATOM 0 HB THR A 49 0.048 7.984 7.664 1.00 0.25 H new ATOM 0 HG1 THR A 49 -2.276 7.464 7.353 1.00 0.33 H new ATOM 0 HG21 THR A 49 0.378 8.830 5.377 1.00 0.25 H new ATOM 0 HG22 THR A 49 1.499 7.500 5.754 1.00 0.25 H new ATOM 0 HG23 THR A 49 0.073 7.200 4.732 1.00 0.25 H new ATOM 730 N LEU A 50 0.176 4.856 9.277 1.00 0.18 N ATOM 731 CA LEU A 50 0.089 4.730 10.725 1.00 0.21 C ATOM 732 C LEU A 50 0.522 6.057 11.310 1.00 0.23 C ATOM 733 O LEU A 50 -0.178 6.694 12.099 1.00 0.28 O ATOM 734 CB LEU A 50 1.025 3.629 11.216 1.00 0.21 C ATOM 735 CG LEU A 50 0.994 2.343 10.397 1.00 0.20 C ATOM 736 CD1 LEU A 50 2.198 1.486 10.734 1.00 0.21 C ATOM 737 CD2 LEU A 50 -0.295 1.580 10.643 1.00 0.24 C ATOM 0 H LEU A 50 0.860 4.242 8.835 1.00 0.18 H new ATOM 0 HA LEU A 50 -0.926 4.474 11.028 1.00 0.21 H new ATOM 0 HB2 LEU A 50 2.044 4.015 11.220 1.00 0.21 H new ATOM 0 HB3 LEU A 50 0.770 3.390 12.249 1.00 0.21 H new ATOM 0 HG LEU A 50 1.034 2.601 9.339 1.00 0.20 H new ATOM 0 HD11 LEU A 50 2.168 0.569 10.145 1.00 0.21 H new ATOM 0 HD12 LEU A 50 3.111 2.035 10.505 1.00 0.21 H new ATOM 0 HD13 LEU A 50 2.181 1.236 11.795 1.00 0.21 H new ATOM 0 HD21 LEU A 50 -0.296 0.666 10.049 1.00 0.24 H new ATOM 0 HD22 LEU A 50 -0.371 1.326 11.700 1.00 0.24 H new ATOM 0 HD23 LEU A 50 -1.145 2.200 10.357 1.00 0.24 H new ATOM 749 N VAL A 51 1.698 6.452 10.863 1.00 0.23 N ATOM 750 CA VAL A 51 2.260 7.763 11.101 1.00 0.27 C ATOM 751 C VAL A 51 2.847 8.223 9.796 1.00 0.24 C ATOM 752 O VAL A 51 3.560 7.455 9.173 1.00 0.23 O ATOM 753 CB VAL A 51 3.394 7.720 12.131 1.00 0.30 C ATOM 754 CG1 VAL A 51 3.968 9.107 12.376 1.00 0.36 C ATOM 755 CG2 VAL A 51 2.912 7.098 13.421 1.00 0.36 C ATOM 0 H VAL A 51 2.306 5.850 10.308 1.00 0.23 H new ATOM 0 HA VAL A 51 1.480 8.424 11.480 1.00 0.27 H new ATOM 0 HB VAL A 51 4.195 7.099 11.728 1.00 0.30 H new ATOM 0 HG11 VAL A 51 4.770 9.044 13.111 1.00 0.36 H new ATOM 0 HG12 VAL A 51 4.362 9.508 11.442 1.00 0.36 H new ATOM 0 HG13 VAL A 51 3.183 9.764 12.751 1.00 0.36 H new ATOM 0 HG21 VAL A 51 3.729 7.075 14.142 1.00 0.36 H new ATOM 0 HG22 VAL A 51 2.089 7.688 13.824 1.00 0.36 H new ATOM 0 HG23 VAL A 51 2.569 6.081 13.229 1.00 0.36 H new ATOM 765 N PRO A 52 2.527 9.424 9.335 1.00 0.29 N ATOM 766 CA PRO A 52 3.039 9.947 8.085 1.00 0.32 C ATOM 767 C PRO A 52 4.143 10.988 8.262 1.00 0.34 C ATOM 768 O PRO A 52 4.055 12.109 7.756 1.00 0.54 O ATOM 769 CB PRO A 52 1.772 10.545 7.523 1.00 0.41 C ATOM 770 CG PRO A 52 1.046 11.102 8.718 1.00 0.46 C ATOM 771 CD PRO A 52 1.564 10.357 9.928 1.00 0.37 C ATOM 0 HA PRO A 52 3.527 9.203 7.455 1.00 0.32 H new ATOM 0 HB2 PRO A 52 1.992 11.326 6.795 1.00 0.41 H new ATOM 0 HB3 PRO A 52 1.172 9.792 7.012 1.00 0.41 H new ATOM 0 HG2 PRO A 52 1.227 12.172 8.816 1.00 0.46 H new ATOM 0 HG3 PRO A 52 -0.031 10.969 8.613 1.00 0.46 H new ATOM 0 HD2 PRO A 52 2.037 11.027 10.646 1.00 0.37 H new ATOM 0 HD3 PRO A 52 0.766 9.836 10.456 1.00 0.37 H new ATOM 779 N GLY A 53 5.193 10.586 8.961 1.00 0.24 N ATOM 780 CA GLY A 53 6.346 11.438 9.137 1.00 0.28 C ATOM 781 C GLY A 53 6.166 12.459 10.240 1.00 0.29 C ATOM 782 O GLY A 53 5.076 12.592 10.799 1.00 0.55 O ATOM 0 H GLY A 53 5.265 9.675 9.413 1.00 0.24 H new ATOM 0 HA2 GLY A 53 7.216 10.821 9.360 1.00 0.28 H new ATOM 0 HA3 GLY A 53 6.554 11.956 8.201 1.00 0.28 H new ATOM 786 N PRO A 54 7.242 13.165 10.607 1.00 0.52 N ATOM 787 CA PRO A 54 7.168 14.286 11.537 1.00 0.67 C ATOM 788 C PRO A 54 6.672 15.547 10.833 1.00 0.78 C ATOM 789 O PRO A 54 6.517 15.549 9.608 1.00 1.20 O ATOM 790 CB PRO A 54 8.619 14.443 11.993 1.00 1.03 C ATOM 791 CG PRO A 54 9.428 13.994 10.826 1.00 1.42 C ATOM 792 CD PRO A 54 8.622 12.918 10.146 1.00 0.91 C ATOM 0 HA PRO A 54 6.473 14.122 12.361 1.00 0.67 H new ATOM 0 HB2 PRO A 54 8.842 15.477 12.257 1.00 1.03 H new ATOM 0 HB3 PRO A 54 8.825 13.837 12.875 1.00 1.03 H new ATOM 0 HG2 PRO A 54 9.623 14.823 10.146 1.00 1.42 H new ATOM 0 HG3 PRO A 54 10.396 13.611 11.148 1.00 1.42 H new ATOM 0 HD2 PRO A 54 8.699 12.986 9.061 1.00 0.91 H new ATOM 0 HD3 PRO A 54 8.966 11.923 10.428 1.00 0.91 H new ATOM 800 N PRO A 55 6.399 16.632 11.583 1.00 0.97 N ATOM 801 CA PRO A 55 5.964 17.904 10.995 1.00 1.24 C ATOM 802 C PRO A 55 6.981 18.459 10.000 1.00 0.93 C ATOM 803 O PRO A 55 8.032 18.976 10.387 1.00 1.20 O ATOM 804 CB PRO A 55 5.825 18.843 12.203 1.00 1.81 C ATOM 805 CG PRO A 55 6.582 18.185 13.305 1.00 2.04 C ATOM 806 CD PRO A 55 6.470 16.709 13.052 1.00 1.47 C ATOM 0 HA PRO A 55 5.040 17.790 10.428 1.00 1.24 H new ATOM 0 HB2 PRO A 55 6.231 19.830 11.982 1.00 1.81 H new ATOM 0 HB3 PRO A 55 4.778 18.982 12.474 1.00 1.81 H new ATOM 0 HG2 PRO A 55 7.624 18.503 13.308 1.00 2.04 H new ATOM 0 HG3 PRO A 55 6.165 18.448 14.277 1.00 2.04 H new ATOM 0 HD2 PRO A 55 7.330 16.165 13.444 1.00 1.47 H new ATOM 0 HD3 PRO A 55 5.583 16.285 13.522 1.00 1.47 H new ATOM 814 N GLY A 56 6.673 18.322 8.719 1.00 0.98 N ATOM 815 CA GLY A 56 7.554 18.819 7.682 1.00 0.82 C ATOM 816 C GLY A 56 8.540 17.771 7.207 1.00 0.64 C ATOM 817 O GLY A 56 9.753 17.977 7.257 1.00 0.69 O ATOM 0 H GLY A 56 5.823 17.873 8.377 1.00 0.98 H new ATOM 0 HA2 GLY A 56 6.958 19.162 6.836 1.00 0.82 H new ATOM 0 HA3 GLY A 56 8.101 19.684 8.058 1.00 0.82 H new ATOM 821 N SER A 57 8.022 16.645 6.754 1.00 0.52 N ATOM 822 CA SER A 57 8.847 15.568 6.244 1.00 0.40 C ATOM 823 C SER A 57 9.282 15.828 4.803 1.00 0.34 C ATOM 824 O SER A 57 9.045 16.900 4.242 1.00 0.43 O ATOM 825 CB SER A 57 8.062 14.265 6.313 1.00 0.40 C ATOM 826 OG SER A 57 6.670 14.525 6.364 1.00 0.99 O ATOM 0 H SER A 57 7.021 16.452 6.729 1.00 0.52 H new ATOM 0 HA SER A 57 9.746 15.503 6.858 1.00 0.40 H new ATOM 0 HB2 SER A 57 8.291 13.649 5.443 1.00 0.40 H new ATOM 0 HB3 SER A 57 8.364 13.698 7.193 1.00 0.40 H new ATOM 0 HG SER A 57 6.291 14.455 5.463 1.00 0.99 H new ATOM 832 N SER A 58 9.931 14.840 4.217 1.00 0.28 N ATOM 833 CA SER A 58 10.298 14.878 2.817 1.00 0.30 C ATOM 834 C SER A 58 9.997 13.527 2.204 1.00 0.27 C ATOM 835 O SER A 58 10.191 12.506 2.848 1.00 0.38 O ATOM 836 CB SER A 58 11.779 15.203 2.666 1.00 0.38 C ATOM 837 OG SER A 58 12.104 16.398 3.350 1.00 1.28 O ATOM 0 H SER A 58 10.218 13.989 4.700 1.00 0.28 H new ATOM 0 HA SER A 58 9.726 15.654 2.308 1.00 0.30 H new ATOM 0 HB2 SER A 58 12.378 14.381 3.057 1.00 0.38 H new ATOM 0 HB3 SER A 58 12.028 15.304 1.610 1.00 0.38 H new ATOM 0 HG SER A 58 13.059 16.587 3.242 1.00 1.28 H new ATOM 843 N ARG A 59 9.503 13.511 0.990 1.00 0.32 N ATOM 844 CA ARG A 59 9.174 12.256 0.338 1.00 0.30 C ATOM 845 C ARG A 59 10.264 11.866 -0.651 1.00 0.27 C ATOM 846 O ARG A 59 10.501 12.570 -1.632 1.00 0.34 O ATOM 847 CB ARG A 59 7.811 12.362 -0.340 1.00 0.42 C ATOM 848 CG ARG A 59 6.668 12.321 0.657 1.00 0.64 C ATOM 849 CD ARG A 59 5.306 12.434 -0.001 1.00 0.68 C ATOM 850 NE ARG A 59 4.246 12.488 1.004 1.00 1.41 N ATOM 851 CZ ARG A 59 2.943 12.451 0.740 1.00 1.81 C ATOM 852 NH1 ARG A 59 2.505 12.364 -0.511 1.00 1.78 N ATOM 853 NH2 ARG A 59 2.075 12.510 1.743 1.00 2.81 N ATOM 0 H ARG A 59 9.319 14.345 0.432 1.00 0.32 H new ATOM 0 HA ARG A 59 9.117 11.467 1.088 1.00 0.30 H new ATOM 0 HB2 ARG A 59 7.761 13.291 -0.908 1.00 0.42 H new ATOM 0 HB3 ARG A 59 7.698 11.545 -1.053 1.00 0.42 H new ATOM 0 HG2 ARG A 59 6.717 11.389 1.220 1.00 0.64 H new ATOM 0 HG3 ARG A 59 6.788 13.134 1.373 1.00 0.64 H new ATOM 0 HD2 ARG A 59 5.270 13.329 -0.622 1.00 0.68 H new ATOM 0 HD3 ARG A 59 5.144 11.582 -0.661 1.00 0.68 H new ATOM 0 HE ARG A 59 4.527 12.559 1.982 1.00 1.41 H new ATOM 0 HH11 ARG A 59 3.171 12.325 -1.283 1.00 1.78 H new ATOM 0 HH12 ARG A 59 1.503 12.336 -0.700 1.00 1.78 H new ATOM 0 HH21 ARG A 59 2.410 12.583 2.704 1.00 2.81 H new ATOM 0 HH22 ARG A 59 1.073 12.482 1.553 1.00 2.81 H new ATOM 867 N PRO A 60 10.972 10.758 -0.372 1.00 0.23 N ATOM 868 CA PRO A 60 12.080 10.262 -1.203 1.00 0.26 C ATOM 869 C PRO A 60 11.758 10.220 -2.696 1.00 0.26 C ATOM 870 O PRO A 60 10.641 9.894 -3.101 1.00 0.28 O ATOM 871 CB PRO A 60 12.327 8.840 -0.673 1.00 0.30 C ATOM 872 CG PRO A 60 11.197 8.558 0.259 1.00 0.28 C ATOM 873 CD PRO A 60 10.768 9.888 0.793 1.00 0.21 C ATOM 0 HA PRO A 60 12.943 10.923 -1.130 1.00 0.26 H new ATOM 0 HB2 PRO A 60 12.353 8.117 -1.488 1.00 0.30 H new ATOM 0 HB3 PRO A 60 13.286 8.774 -0.158 1.00 0.30 H new ATOM 0 HG2 PRO A 60 10.377 8.062 -0.260 1.00 0.28 H new ATOM 0 HG3 PRO A 60 11.511 7.896 1.066 1.00 0.28 H new ATOM 0 HD2 PRO A 60 9.729 9.881 1.121 1.00 0.21 H new ATOM 0 HD3 PRO A 60 11.370 10.200 1.647 1.00 0.21 H new ATOM 881 N VAL A 61 12.753 10.554 -3.503 1.00 0.29 N ATOM 882 CA VAL A 61 12.603 10.556 -4.948 1.00 0.31 C ATOM 883 C VAL A 61 13.107 9.232 -5.516 1.00 0.28 C ATOM 884 O VAL A 61 13.972 8.587 -4.922 1.00 0.27 O ATOM 885 CB VAL A 61 13.396 11.720 -5.586 1.00 0.40 C ATOM 886 CG1 VAL A 61 13.039 11.895 -7.053 1.00 0.81 C ATOM 887 CG2 VAL A 61 13.166 13.015 -4.819 1.00 0.88 C ATOM 0 H VAL A 61 13.680 10.829 -3.177 1.00 0.29 H new ATOM 0 HA VAL A 61 11.546 10.686 -5.182 1.00 0.31 H new ATOM 0 HB VAL A 61 14.455 11.469 -5.528 1.00 0.40 H new ATOM 0 HG11 VAL A 61 13.614 12.721 -7.471 1.00 0.81 H new ATOM 0 HG12 VAL A 61 13.272 10.979 -7.596 1.00 0.81 H new ATOM 0 HG13 VAL A 61 11.974 12.110 -7.145 1.00 0.81 H new ATOM 0 HG21 VAL A 61 13.734 13.820 -5.286 1.00 0.88 H new ATOM 0 HG22 VAL A 61 12.105 13.263 -4.834 1.00 0.88 H new ATOM 0 HG23 VAL A 61 13.495 12.890 -3.787 1.00 0.88 H new ATOM 897 N LYS A 62 12.563 8.827 -6.651 1.00 0.27 N ATOM 898 CA LYS A 62 12.978 7.592 -7.296 1.00 0.27 C ATOM 899 C LYS A 62 14.411 7.703 -7.784 1.00 0.25 C ATOM 900 O LYS A 62 14.710 8.403 -8.752 1.00 0.31 O ATOM 901 CB LYS A 62 12.045 7.214 -8.446 1.00 0.30 C ATOM 902 CG LYS A 62 10.639 6.866 -7.990 1.00 0.37 C ATOM 903 CD LYS A 62 9.953 5.954 -8.993 1.00 0.41 C ATOM 904 CE LYS A 62 8.491 5.727 -8.652 1.00 0.60 C ATOM 905 NZ LYS A 62 7.662 6.913 -8.991 1.00 1.17 N ATOM 0 H LYS A 62 11.831 9.337 -7.146 1.00 0.27 H new ATOM 0 HA LYS A 62 12.921 6.796 -6.553 1.00 0.27 H new ATOM 0 HB2 LYS A 62 11.996 8.043 -9.152 1.00 0.30 H new ATOM 0 HB3 LYS A 62 12.466 6.364 -8.982 1.00 0.30 H new ATOM 0 HG2 LYS A 62 10.679 6.378 -7.016 1.00 0.37 H new ATOM 0 HG3 LYS A 62 10.057 7.779 -7.865 1.00 0.37 H new ATOM 0 HD2 LYS A 62 10.029 6.389 -9.989 1.00 0.41 H new ATOM 0 HD3 LYS A 62 10.471 4.995 -9.024 1.00 0.41 H new ATOM 0 HE2 LYS A 62 8.121 4.856 -9.193 1.00 0.60 H new ATOM 0 HE3 LYS A 62 8.394 5.506 -7.589 1.00 0.60 H new ATOM 0 HZ1 LYS A 62 6.660 6.700 -8.809 1.00 1.17 H new ATOM 0 HZ2 LYS A 62 7.956 7.721 -8.406 1.00 1.17 H new ATOM 0 HZ3 LYS A 62 7.788 7.149 -9.996 1.00 1.17 H new ATOM 919 N GLY A 63 15.293 7.019 -7.081 1.00 0.25 N ATOM 920 CA GLY A 63 16.695 7.062 -7.391 1.00 0.27 C ATOM 921 C GLY A 63 17.520 7.078 -6.131 1.00 0.30 C ATOM 922 O GLY A 63 18.692 6.712 -6.134 1.00 0.42 O ATOM 0 H GLY A 63 15.053 6.425 -6.287 1.00 0.25 H new ATOM 0 HA2 GLY A 63 16.965 6.197 -7.997 1.00 0.27 H new ATOM 0 HA3 GLY A 63 16.914 7.949 -7.986 1.00 0.27 H new ATOM 926 N GLN A 64 16.909 7.521 -5.043 1.00 0.26 N ATOM 927 CA GLN A 64 17.594 7.535 -3.758 1.00 0.28 C ATOM 928 C GLN A 64 17.443 6.176 -3.110 1.00 0.24 C ATOM 929 O GLN A 64 16.377 5.561 -3.193 1.00 0.24 O ATOM 930 CB GLN A 64 17.026 8.613 -2.822 1.00 0.30 C ATOM 931 CG GLN A 64 16.292 9.772 -3.502 1.00 0.36 C ATOM 932 CD GLN A 64 17.128 10.635 -4.449 1.00 0.44 C ATOM 933 OE1 GLN A 64 18.089 10.051 -5.147 1.00 0.59 O flip ATOM 934 NE2 GLN A 64 16.879 11.832 -4.572 1.00 0.43 N flip ATOM 0 H GLN A 64 15.951 7.872 -5.022 1.00 0.26 H new ATOM 0 HA GLN A 64 18.645 7.766 -3.931 1.00 0.28 H new ATOM 0 HB2 GLN A 64 16.340 8.135 -2.123 1.00 0.30 H new ATOM 0 HB3 GLN A 64 17.846 9.024 -2.233 1.00 0.30 H new ATOM 0 HG2 GLN A 64 15.451 9.364 -4.062 1.00 0.36 H new ATOM 0 HG3 GLN A 64 15.876 10.416 -2.727 1.00 0.36 H new ATOM 0 HE21 GLN A 64 16.133 12.257 -4.022 1.00 0.43 H new ATOM 0 HE22 GLN A 64 17.419 12.401 -5.225 1.00 0.43 H new ATOM 943 N VAL A 65 18.501 5.679 -2.495 1.00 0.28 N ATOM 944 CA VAL A 65 18.379 4.454 -1.747 1.00 0.31 C ATOM 945 C VAL A 65 17.941 4.789 -0.335 1.00 0.25 C ATOM 946 O VAL A 65 18.479 5.683 0.318 1.00 0.32 O ATOM 947 CB VAL A 65 19.657 3.578 -1.745 1.00 0.49 C ATOM 948 CG1 VAL A 65 20.150 3.342 -3.160 1.00 1.22 C ATOM 949 CG2 VAL A 65 20.756 4.173 -0.889 1.00 1.05 C ATOM 0 H VAL A 65 19.431 6.097 -2.500 1.00 0.28 H new ATOM 0 HA VAL A 65 17.628 3.842 -2.247 1.00 0.31 H new ATOM 0 HB VAL A 65 19.387 2.618 -1.304 1.00 0.49 H new ATOM 0 HG11 VAL A 65 21.048 2.725 -3.134 1.00 1.22 H new ATOM 0 HG12 VAL A 65 19.376 2.833 -3.735 1.00 1.22 H new ATOM 0 HG13 VAL A 65 20.381 4.298 -3.629 1.00 1.22 H new ATOM 0 HG21 VAL A 65 21.632 3.524 -0.918 1.00 1.05 H new ATOM 0 HG22 VAL A 65 21.022 5.159 -1.271 1.00 1.05 H new ATOM 0 HG23 VAL A 65 20.407 4.265 0.139 1.00 1.05 H new ATOM 959 N VAL A 66 16.911 4.114 0.096 1.00 0.19 N ATOM 960 CA VAL A 66 16.290 4.399 1.368 1.00 0.15 C ATOM 961 C VAL A 66 16.277 3.163 2.240 1.00 0.16 C ATOM 962 O VAL A 66 16.243 2.038 1.736 1.00 0.21 O ATOM 963 CB VAL A 66 14.845 4.912 1.180 1.00 0.17 C ATOM 964 CG1 VAL A 66 14.814 6.160 0.311 1.00 0.18 C ATOM 965 CG2 VAL A 66 13.964 3.843 0.563 1.00 0.25 C ATOM 0 H VAL A 66 16.476 3.350 -0.422 1.00 0.19 H new ATOM 0 HA VAL A 66 16.877 5.178 1.855 1.00 0.15 H new ATOM 0 HB VAL A 66 14.460 5.162 2.168 1.00 0.17 H new ATOM 0 HG11 VAL A 66 13.784 6.498 0.196 1.00 0.18 H new ATOM 0 HG12 VAL A 66 15.404 6.946 0.782 1.00 0.18 H new ATOM 0 HG13 VAL A 66 15.232 5.931 -0.669 1.00 0.18 H new ATOM 0 HG21 VAL A 66 12.952 4.231 0.442 1.00 0.25 H new ATOM 0 HG22 VAL A 66 14.363 3.560 -0.411 1.00 0.25 H new ATOM 0 HG23 VAL A 66 13.942 2.969 1.214 1.00 0.25 H new ATOM 975 N THR A 67 16.339 3.378 3.539 1.00 0.13 N ATOM 976 CA THR A 67 16.279 2.296 4.489 1.00 0.15 C ATOM 977 C THR A 67 14.872 2.149 5.026 1.00 0.16 C ATOM 978 O THR A 67 14.359 3.029 5.727 1.00 0.21 O ATOM 979 CB THR A 67 17.241 2.522 5.665 1.00 0.20 C ATOM 980 OG1 THR A 67 17.088 3.846 6.182 1.00 0.29 O ATOM 981 CG2 THR A 67 18.680 2.307 5.244 1.00 0.27 C ATOM 0 H THR A 67 16.432 4.303 3.959 1.00 0.13 H new ATOM 0 HA THR A 67 16.576 1.387 3.966 1.00 0.15 H new ATOM 0 HB THR A 67 16.994 1.797 6.441 1.00 0.20 H new ATOM 0 HG1 THR A 67 16.142 4.015 6.374 1.00 0.29 H new ATOM 0 HG21 THR A 67 19.338 2.474 6.097 1.00 0.27 H new ATOM 0 HG22 THR A 67 18.805 1.286 4.884 1.00 0.27 H new ATOM 0 HG23 THR A 67 18.934 3.006 4.448 1.00 0.27 H new ATOM 989 N VAL A 68 14.237 1.050 4.689 1.00 0.15 N ATOM 990 CA VAL A 68 12.934 0.773 5.221 1.00 0.15 C ATOM 991 C VAL A 68 12.994 -0.397 6.180 1.00 0.15 C ATOM 992 O VAL A 68 13.793 -1.304 6.018 1.00 0.17 O ATOM 993 CB VAL A 68 11.885 0.477 4.126 1.00 0.16 C ATOM 994 CG1 VAL A 68 11.620 1.715 3.285 1.00 0.18 C ATOM 995 CG2 VAL A 68 12.324 -0.679 3.239 1.00 0.19 C ATOM 0 H VAL A 68 14.603 0.341 4.053 1.00 0.15 H new ATOM 0 HA VAL A 68 12.619 1.676 5.744 1.00 0.15 H new ATOM 0 HB VAL A 68 10.959 0.189 4.625 1.00 0.16 H new ATOM 0 HG11 VAL A 68 10.878 1.484 2.520 1.00 0.18 H new ATOM 0 HG12 VAL A 68 11.245 2.515 3.923 1.00 0.18 H new ATOM 0 HG13 VAL A 68 12.546 2.035 2.807 1.00 0.18 H new ATOM 0 HG21 VAL A 68 11.565 -0.863 2.479 1.00 0.19 H new ATOM 0 HG22 VAL A 68 13.268 -0.429 2.756 1.00 0.19 H new ATOM 0 HG23 VAL A 68 12.453 -1.575 3.846 1.00 0.19 H new ATOM 1005 N HIS A 69 12.163 -0.363 7.186 1.00 0.14 N ATOM 1006 CA HIS A 69 11.976 -1.516 8.032 1.00 0.15 C ATOM 1007 C HIS A 69 10.683 -2.169 7.608 1.00 0.14 C ATOM 1008 O HIS A 69 9.622 -1.585 7.773 1.00 0.15 O ATOM 1009 CB HIS A 69 11.908 -1.128 9.526 1.00 0.15 C ATOM 1010 CG HIS A 69 11.572 -2.291 10.429 1.00 0.15 C ATOM 1011 ND1 HIS A 69 12.012 -2.437 11.728 1.00 0.19 N ATOM 1012 CD2 HIS A 69 10.814 -3.376 10.187 1.00 0.18 C ATOM 1013 CE1 HIS A 69 11.526 -3.572 12.220 1.00 0.18 C ATOM 1014 NE2 HIS A 69 10.802 -4.149 11.304 1.00 0.18 N ATOM 0 H HIS A 69 11.603 0.450 7.442 1.00 0.14 H new ATOM 0 HA HIS A 69 12.822 -2.194 7.923 1.00 0.15 H new ATOM 0 HB2 HIS A 69 12.866 -0.706 9.829 1.00 0.15 H new ATOM 0 HB3 HIS A 69 11.160 -0.346 9.658 1.00 0.15 H new ATOM 0 HD1 HIS A 69 12.612 -1.782 12.229 1.00 0.19 H new ATOM 0 HD2 HIS A 69 10.302 -3.595 9.262 1.00 0.18 H new ATOM 0 HE1 HIS A 69 11.702 -3.953 13.215 1.00 0.18 H new ATOM 1023 N LEU A 70 10.757 -3.376 7.083 1.00 0.15 N ATOM 1024 CA LEU A 70 9.545 -4.058 6.704 1.00 0.16 C ATOM 1025 C LEU A 70 9.395 -5.366 7.454 1.00 0.15 C ATOM 1026 O LEU A 70 10.360 -6.092 7.689 1.00 0.21 O ATOM 1027 CB LEU A 70 9.464 -4.309 5.196 1.00 0.21 C ATOM 1028 CG LEU A 70 9.973 -5.671 4.720 1.00 0.31 C ATOM 1029 CD1 LEU A 70 9.553 -5.920 3.283 1.00 0.39 C ATOM 1030 CD2 LEU A 70 11.484 -5.762 4.842 1.00 0.38 C ATOM 0 H LEU A 70 11.621 -3.890 6.914 1.00 0.15 H new ATOM 0 HA LEU A 70 8.722 -3.396 6.975 1.00 0.16 H new ATOM 0 HB2 LEU A 70 8.425 -4.201 4.884 1.00 0.21 H new ATOM 0 HB3 LEU A 70 10.032 -3.531 4.686 1.00 0.21 H new ATOM 0 HG LEU A 70 9.530 -6.436 5.358 1.00 0.31 H new ATOM 0 HD11 LEU A 70 9.923 -6.893 2.959 1.00 0.39 H new ATOM 0 HD12 LEU A 70 8.465 -5.904 3.214 1.00 0.39 H new ATOM 0 HD13 LEU A 70 9.969 -5.142 2.642 1.00 0.39 H new ATOM 0 HD21 LEU A 70 11.819 -6.740 4.497 1.00 0.38 H new ATOM 0 HD22 LEU A 70 11.946 -4.985 4.233 1.00 0.38 H new ATOM 0 HD23 LEU A 70 11.774 -5.626 5.884 1.00 0.38 H new ATOM 1042 N GLN A 71 8.185 -5.611 7.880 1.00 0.13 N ATOM 1043 CA GLN A 71 7.779 -6.909 8.371 1.00 0.14 C ATOM 1044 C GLN A 71 6.472 -7.212 7.712 1.00 0.14 C ATOM 1045 O GLN A 71 5.479 -6.511 7.914 1.00 0.14 O ATOM 1046 CB GLN A 71 7.601 -6.946 9.883 1.00 0.15 C ATOM 1047 CG GLN A 71 8.426 -5.929 10.635 1.00 0.15 C ATOM 1048 CD GLN A 71 7.711 -4.617 10.848 1.00 0.16 C ATOM 1049 OE1 GLN A 71 6.770 -4.307 9.985 1.00 0.27 O flip ATOM 1050 NE2 GLN A 71 7.993 -3.902 11.804 1.00 0.18 N flip ATOM 0 H GLN A 71 7.443 -4.911 7.898 1.00 0.13 H new ATOM 0 HA GLN A 71 8.554 -7.640 8.139 1.00 0.14 H new ATOM 0 HB2 GLN A 71 6.548 -6.786 10.116 1.00 0.15 H new ATOM 0 HB3 GLN A 71 7.859 -7.942 10.242 1.00 0.15 H new ATOM 0 HG2 GLN A 71 8.706 -6.343 11.604 1.00 0.15 H new ATOM 0 HG3 GLN A 71 9.351 -5.746 10.088 1.00 0.15 H new ATOM 0 HE21 GLN A 71 8.731 -4.182 12.450 1.00 0.18 H new ATOM 0 HE22 GLN A 71 7.489 -3.028 11.953 1.00 0.18 H new ATOM 1059 N THR A 72 6.492 -8.218 6.904 1.00 0.15 N ATOM 1060 CA THR A 72 5.396 -8.497 6.036 1.00 0.16 C ATOM 1061 C THR A 72 4.552 -9.651 6.545 1.00 0.16 C ATOM 1062 O THR A 72 5.035 -10.773 6.692 1.00 0.17 O ATOM 1063 CB THR A 72 5.932 -8.825 4.650 1.00 0.17 C ATOM 1064 OG1 THR A 72 6.803 -7.778 4.203 1.00 0.19 O ATOM 1065 CG2 THR A 72 4.799 -9.012 3.677 1.00 0.19 C ATOM 0 H THR A 72 7.271 -8.872 6.826 1.00 0.15 H new ATOM 0 HA THR A 72 4.757 -7.615 5.998 1.00 0.16 H new ATOM 0 HB THR A 72 6.496 -9.756 4.704 1.00 0.17 H new ATOM 0 HG1 THR A 72 7.146 -7.996 3.311 1.00 0.19 H new ATOM 0 HG21 THR A 72 5.201 -9.246 2.691 1.00 0.19 H new ATOM 0 HG22 THR A 72 4.162 -9.831 4.013 1.00 0.19 H new ATOM 0 HG23 THR A 72 4.212 -8.095 3.621 1.00 0.19 H new ATOM 1073 N SER A 73 3.299 -9.360 6.812 1.00 0.17 N ATOM 1074 CA SER A 73 2.352 -10.357 7.241 1.00 0.17 C ATOM 1075 C SER A 73 1.412 -10.678 6.097 1.00 0.15 C ATOM 1076 O SER A 73 0.944 -9.783 5.412 1.00 0.26 O ATOM 1077 CB SER A 73 1.536 -9.819 8.416 1.00 0.23 C ATOM 1078 OG SER A 73 2.246 -8.797 9.101 1.00 1.06 O ATOM 0 H SER A 73 2.909 -8.420 6.737 1.00 0.17 H new ATOM 0 HA SER A 73 2.888 -11.255 7.548 1.00 0.17 H new ATOM 0 HB2 SER A 73 0.585 -9.427 8.054 1.00 0.23 H new ATOM 0 HB3 SER A 73 1.305 -10.631 9.105 1.00 0.23 H new ATOM 0 HG SER A 73 1.618 -8.255 9.622 1.00 1.06 H new ATOM 1084 N LEU A 74 1.159 -11.946 5.874 1.00 0.19 N ATOM 1085 CA LEU A 74 0.159 -12.373 4.920 1.00 0.18 C ATOM 1086 C LEU A 74 -1.208 -11.815 5.269 1.00 0.19 C ATOM 1087 O LEU A 74 -1.422 -11.335 6.380 1.00 0.21 O ATOM 1088 CB LEU A 74 0.117 -13.893 4.886 1.00 0.22 C ATOM 1089 CG LEU A 74 0.956 -14.504 3.777 1.00 0.38 C ATOM 1090 CD1 LEU A 74 2.312 -13.833 3.693 1.00 0.84 C ATOM 1091 CD2 LEU A 74 1.103 -16.004 3.971 1.00 0.72 C ATOM 0 H LEU A 74 1.639 -12.711 6.347 1.00 0.19 H new ATOM 0 HA LEU A 74 0.428 -11.991 3.935 1.00 0.18 H new ATOM 0 HB2 LEU A 74 0.463 -14.278 5.845 1.00 0.22 H new ATOM 0 HB3 LEU A 74 -0.917 -14.216 4.767 1.00 0.22 H new ATOM 0 HG LEU A 74 0.439 -14.337 2.832 1.00 0.38 H new ATOM 0 HD11 LEU A 74 2.894 -14.288 2.892 1.00 0.84 H new ATOM 0 HD12 LEU A 74 2.180 -12.771 3.488 1.00 0.84 H new ATOM 0 HD13 LEU A 74 2.839 -13.957 4.639 1.00 0.84 H new ATOM 0 HD21 LEU A 74 1.708 -16.418 3.164 1.00 0.72 H new ATOM 0 HD22 LEU A 74 1.589 -16.201 4.927 1.00 0.72 H new ATOM 0 HD23 LEU A 74 0.118 -16.470 3.962 1.00 0.72 H new ATOM 1103 N GLU A 75 -2.127 -11.886 4.316 1.00 0.21 N ATOM 1104 CA GLU A 75 -3.503 -11.448 4.521 1.00 0.26 C ATOM 1105 C GLU A 75 -4.116 -12.102 5.769 1.00 0.32 C ATOM 1106 O GLU A 75 -5.088 -11.609 6.338 1.00 0.39 O ATOM 1107 CB GLU A 75 -4.341 -11.783 3.286 1.00 0.30 C ATOM 1108 CG GLU A 75 -4.184 -13.220 2.811 1.00 0.34 C ATOM 1109 CD GLU A 75 -5.045 -13.537 1.605 1.00 0.67 C ATOM 1110 OE1 GLU A 75 -4.611 -13.260 0.467 1.00 0.82 O ATOM 1111 OE2 GLU A 75 -6.153 -14.086 1.789 1.00 1.14 O ATOM 0 H GLU A 75 -1.942 -12.248 3.381 1.00 0.21 H new ATOM 0 HA GLU A 75 -3.499 -10.369 4.676 1.00 0.26 H new ATOM 0 HB2 GLU A 75 -5.391 -11.596 3.509 1.00 0.30 H new ATOM 0 HB3 GLU A 75 -4.063 -11.109 2.475 1.00 0.30 H new ATOM 0 HG2 GLU A 75 -3.138 -13.404 2.564 1.00 0.34 H new ATOM 0 HG3 GLU A 75 -4.443 -13.897 3.625 1.00 0.34 H new ATOM 1118 N ASN A 76 -3.520 -13.216 6.189 1.00 0.34 N ATOM 1119 CA ASN A 76 -4.000 -13.971 7.341 1.00 0.41 C ATOM 1120 C ASN A 76 -3.391 -13.445 8.636 1.00 0.39 C ATOM 1121 O ASN A 76 -3.859 -13.766 9.725 1.00 0.51 O ATOM 1122 CB ASN A 76 -3.649 -15.452 7.182 1.00 0.50 C ATOM 1123 CG ASN A 76 -4.191 -16.053 5.898 1.00 1.13 C ATOM 1124 OD1 ASN A 76 -5.310 -16.557 5.857 1.00 2.14 O ATOM 1125 ND2 ASN A 76 -3.387 -16.028 4.842 1.00 1.13 N ATOM 0 H ASN A 76 -2.696 -13.618 5.742 1.00 0.34 H new ATOM 0 HA ASN A 76 -5.082 -13.852 7.391 1.00 0.41 H new ATOM 0 HB2 ASN A 76 -2.565 -15.568 7.202 1.00 0.50 H new ATOM 0 HB3 ASN A 76 -4.045 -16.007 8.032 1.00 0.50 H new ATOM 0 HD21 ASN A 76 -3.692 -16.436 3.959 1.00 1.13 H new ATOM 0 HD22 ASN A 76 -2.464 -15.600 4.914 1.00 1.13 H new ATOM 1132 N GLY A 77 -2.340 -12.642 8.509 1.00 0.30 N ATOM 1133 CA GLY A 77 -1.645 -12.118 9.671 1.00 0.32 C ATOM 1134 C GLY A 77 -0.291 -12.765 9.869 1.00 0.32 C ATOM 1135 O GLY A 77 0.515 -12.307 10.675 1.00 0.51 O ATOM 0 H GLY A 77 -1.954 -12.342 7.614 1.00 0.30 H new ATOM 0 HA2 GLY A 77 -1.518 -11.041 9.561 1.00 0.32 H new ATOM 0 HA3 GLY A 77 -2.255 -12.278 10.560 1.00 0.32 H new ATOM 1139 N THR A 78 -0.037 -13.827 9.123 1.00 0.28 N ATOM 1140 CA THR A 78 1.211 -14.559 9.234 1.00 0.28 C ATOM 1141 C THR A 78 2.374 -13.775 8.641 1.00 0.23 C ATOM 1142 O THR A 78 2.469 -13.604 7.426 1.00 0.21 O ATOM 1143 CB THR A 78 1.105 -15.918 8.518 1.00 0.34 C ATOM 1144 OG1 THR A 78 -0.055 -16.624 8.978 1.00 0.46 O ATOM 1145 CG2 THR A 78 2.352 -16.754 8.757 1.00 0.39 C ATOM 0 H THR A 78 -0.684 -14.203 8.430 1.00 0.28 H new ATOM 0 HA THR A 78 1.399 -14.715 10.296 1.00 0.28 H new ATOM 0 HB THR A 78 1.014 -15.737 7.447 1.00 0.34 H new ATOM 0 HG1 THR A 78 -0.117 -17.487 8.517 1.00 0.46 H new ATOM 0 HG21 THR A 78 2.254 -17.709 8.241 1.00 0.39 H new ATOM 0 HG22 THR A 78 3.224 -16.224 8.375 1.00 0.39 H new ATOM 0 HG23 THR A 78 2.473 -16.929 9.826 1.00 0.39 H new ATOM 1153 N ARG A 79 3.252 -13.286 9.503 1.00 0.24 N ATOM 1154 CA ARG A 79 4.447 -12.596 9.056 1.00 0.22 C ATOM 1155 C ARG A 79 5.442 -13.581 8.490 1.00 0.24 C ATOM 1156 O ARG A 79 5.769 -14.591 9.110 1.00 0.33 O ATOM 1157 CB ARG A 79 5.063 -11.782 10.182 1.00 0.25 C ATOM 1158 CG ARG A 79 4.169 -10.633 10.593 1.00 0.25 C ATOM 1159 CD ARG A 79 4.975 -9.418 10.999 1.00 0.28 C ATOM 1160 NE ARG A 79 4.128 -8.238 11.145 1.00 0.33 N ATOM 1161 CZ ARG A 79 4.455 -7.164 11.861 1.00 0.38 C ATOM 1162 NH1 ARG A 79 5.605 -7.128 12.519 1.00 0.42 N ATOM 1163 NH2 ARG A 79 3.632 -6.124 11.909 1.00 0.47 N ATOM 0 H ARG A 79 3.157 -13.355 10.516 1.00 0.24 H new ATOM 0 HA ARG A 79 4.165 -11.901 8.265 1.00 0.22 H new ATOM 0 HB2 ARG A 79 5.244 -12.428 11.041 1.00 0.25 H new ATOM 0 HB3 ARG A 79 6.031 -11.395 9.864 1.00 0.25 H new ATOM 0 HG2 ARG A 79 3.508 -10.372 9.767 1.00 0.25 H new ATOM 0 HG3 ARG A 79 3.535 -10.944 11.423 1.00 0.25 H new ATOM 0 HD2 ARG A 79 5.487 -9.618 11.940 1.00 0.28 H new ATOM 0 HD3 ARG A 79 5.745 -9.224 10.252 1.00 0.28 H new ATOM 0 HE ARG A 79 3.227 -8.236 10.667 1.00 0.33 H new ATOM 0 HH11 ARG A 79 6.241 -7.924 12.477 1.00 0.42 H new ATOM 0 HH12 ARG A 79 5.854 -6.304 13.067 1.00 0.42 H new ATOM 0 HH21 ARG A 79 2.750 -6.148 11.398 1.00 0.47 H new ATOM 0 HH22 ARG A 79 3.882 -5.301 12.457 1.00 0.47 H new ATOM 1177 N VAL A 80 5.896 -13.277 7.296 1.00 0.20 N ATOM 1178 CA VAL A 80 6.713 -14.189 6.527 1.00 0.22 C ATOM 1179 C VAL A 80 8.108 -13.634 6.305 1.00 0.21 C ATOM 1180 O VAL A 80 8.986 -14.316 5.773 1.00 0.27 O ATOM 1181 CB VAL A 80 6.051 -14.476 5.177 1.00 0.23 C ATOM 1182 CG1 VAL A 80 4.709 -15.140 5.392 1.00 0.26 C ATOM 1183 CG2 VAL A 80 5.889 -13.198 4.367 1.00 0.22 C ATOM 0 H VAL A 80 5.709 -12.389 6.829 1.00 0.20 H new ATOM 0 HA VAL A 80 6.803 -15.115 7.095 1.00 0.22 H new ATOM 0 HB VAL A 80 6.695 -15.151 4.613 1.00 0.23 H new ATOM 0 HG11 VAL A 80 4.244 -15.341 4.427 1.00 0.26 H new ATOM 0 HG12 VAL A 80 4.849 -16.078 5.930 1.00 0.26 H new ATOM 0 HG13 VAL A 80 4.066 -14.480 5.974 1.00 0.26 H new ATOM 0 HG21 VAL A 80 5.416 -13.430 3.413 1.00 0.22 H new ATOM 0 HG22 VAL A 80 5.266 -12.494 4.919 1.00 0.22 H new ATOM 0 HG23 VAL A 80 6.868 -12.754 4.189 1.00 0.22 H new ATOM 1193 N GLN A 81 8.293 -12.385 6.683 1.00 0.18 N ATOM 1194 CA GLN A 81 9.573 -11.728 6.535 1.00 0.19 C ATOM 1195 C GLN A 81 9.610 -10.493 7.420 1.00 0.19 C ATOM 1196 O GLN A 81 8.673 -9.699 7.417 1.00 0.26 O ATOM 1197 CB GLN A 81 9.816 -11.376 5.060 1.00 0.23 C ATOM 1198 CG GLN A 81 8.770 -10.456 4.450 1.00 0.23 C ATOM 1199 CD GLN A 81 8.881 -10.376 2.941 1.00 0.37 C ATOM 1200 OE1 GLN A 81 8.103 -11.200 2.258 1.00 0.59 O flip ATOM 1201 NE2 GLN A 81 9.641 -9.582 2.394 1.00 0.50 N flip ATOM 0 H GLN A 81 7.566 -11.802 7.098 1.00 0.18 H new ATOM 0 HA GLN A 81 10.374 -12.398 6.849 1.00 0.19 H new ATOM 0 HB2 GLN A 81 10.794 -10.904 4.969 1.00 0.23 H new ATOM 0 HB3 GLN A 81 9.852 -12.299 4.481 1.00 0.23 H new ATOM 0 HG2 GLN A 81 7.776 -10.811 4.720 1.00 0.23 H new ATOM 0 HG3 GLN A 81 8.877 -9.457 4.873 1.00 0.23 H new ATOM 0 HE21 GLN A 81 10.224 -8.964 2.958 1.00 0.50 H new ATOM 0 HE22 GLN A 81 9.689 -9.541 1.376 1.00 0.50 H new ATOM 1210 N GLU A 82 10.671 -10.348 8.198 1.00 0.24 N ATOM 1211 CA GLU A 82 10.775 -9.240 9.133 1.00 0.24 C ATOM 1212 C GLU A 82 12.207 -8.725 9.183 1.00 0.25 C ATOM 1213 O GLU A 82 13.093 -9.365 9.748 1.00 0.41 O ATOM 1214 CB GLU A 82 10.299 -9.688 10.521 1.00 0.35 C ATOM 1215 CG GLU A 82 10.324 -8.597 11.572 1.00 0.44 C ATOM 1216 CD GLU A 82 9.437 -8.915 12.762 1.00 0.82 C ATOM 1217 OE1 GLU A 82 9.887 -9.643 13.672 1.00 1.21 O ATOM 1218 OE2 GLU A 82 8.282 -8.439 12.792 1.00 1.34 O ATOM 0 H GLU A 82 11.470 -10.982 8.200 1.00 0.24 H new ATOM 0 HA GLU A 82 10.137 -8.422 8.797 1.00 0.24 H new ATOM 0 HB2 GLU A 82 9.282 -10.072 10.437 1.00 0.35 H new ATOM 0 HB3 GLU A 82 10.925 -10.515 10.857 1.00 0.35 H new ATOM 0 HG2 GLU A 82 11.348 -8.451 11.915 1.00 0.44 H new ATOM 0 HG3 GLU A 82 10.001 -7.657 11.123 1.00 0.44 H new ATOM 1225 N GLU A 83 12.424 -7.568 8.575 1.00 0.22 N ATOM 1226 CA GLU A 83 13.749 -6.985 8.476 1.00 0.26 C ATOM 1227 C GLU A 83 13.729 -5.570 9.024 1.00 0.23 C ATOM 1228 O GLU A 83 12.923 -4.744 8.596 1.00 0.24 O ATOM 1229 CB GLU A 83 14.220 -6.935 7.017 1.00 0.39 C ATOM 1230 CG GLU A 83 13.682 -8.049 6.131 1.00 1.20 C ATOM 1231 CD GLU A 83 14.199 -9.426 6.501 1.00 1.73 C ATOM 1232 OE1 GLU A 83 15.397 -9.553 6.824 1.00 1.69 O ATOM 1233 OE2 GLU A 83 13.416 -10.399 6.421 1.00 2.59 O ATOM 0 H GLU A 83 11.689 -7.011 8.139 1.00 0.22 H new ATOM 0 HA GLU A 83 14.433 -7.607 9.053 1.00 0.26 H new ATOM 0 HB2 GLU A 83 13.927 -5.976 6.589 1.00 0.39 H new ATOM 0 HB3 GLU A 83 15.309 -6.972 7.001 1.00 0.39 H new ATOM 0 HG2 GLU A 83 12.593 -8.052 6.187 1.00 1.20 H new ATOM 0 HG3 GLU A 83 13.947 -7.837 5.095 1.00 1.20 H new ATOM 1240 N PRO A 84 14.623 -5.259 9.967 1.00 0.23 N ATOM 1241 CA PRO A 84 14.694 -3.932 10.571 1.00 0.21 C ATOM 1242 C PRO A 84 15.231 -2.879 9.611 1.00 0.19 C ATOM 1243 O PRO A 84 15.050 -1.680 9.834 1.00 0.20 O ATOM 1244 CB PRO A 84 15.652 -4.113 11.757 1.00 0.25 C ATOM 1245 CG PRO A 84 15.855 -5.587 11.895 1.00 0.50 C ATOM 1246 CD PRO A 84 15.629 -6.165 10.530 1.00 0.31 C ATOM 0 HA PRO A 84 13.706 -3.575 10.860 1.00 0.21 H new ATOM 0 HB2 PRO A 84 16.598 -3.603 11.577 1.00 0.25 H new ATOM 0 HB3 PRO A 84 15.230 -3.689 12.668 1.00 0.25 H new ATOM 0 HG2 PRO A 84 16.860 -5.811 12.252 1.00 0.50 H new ATOM 0 HG3 PRO A 84 15.158 -6.011 12.618 1.00 0.50 H new ATOM 0 HD2 PRO A 84 16.543 -6.176 9.937 1.00 0.31 H new ATOM 0 HD3 PRO A 84 15.269 -7.193 10.579 1.00 0.31 H new ATOM 1254 N GLU A 85 15.873 -3.316 8.535 1.00 0.20 N ATOM 1255 CA GLU A 85 16.453 -2.381 7.591 1.00 0.22 C ATOM 1256 C GLU A 85 16.689 -3.016 6.241 1.00 0.24 C ATOM 1257 O GLU A 85 17.375 -4.028 6.108 1.00 0.35 O ATOM 1258 CB GLU A 85 17.756 -1.810 8.149 1.00 0.31 C ATOM 1259 CG GLU A 85 18.329 -0.674 7.325 1.00 0.34 C ATOM 1260 CD GLU A 85 19.469 0.013 8.030 1.00 0.90 C ATOM 1261 OE1 GLU A 85 19.217 0.963 8.791 1.00 1.37 O ATOM 1262 OE2 GLU A 85 20.630 -0.381 7.795 1.00 1.30 O ATOM 0 H GLU A 85 16.002 -4.300 8.299 1.00 0.20 H new ATOM 0 HA GLU A 85 15.739 -1.570 7.447 1.00 0.22 H new ATOM 0 HB2 GLU A 85 17.581 -1.457 9.165 1.00 0.31 H new ATOM 0 HB3 GLU A 85 18.494 -2.609 8.212 1.00 0.31 H new ATOM 0 HG2 GLU A 85 18.675 -1.060 6.366 1.00 0.34 H new ATOM 0 HG3 GLU A 85 17.544 0.052 7.112 1.00 0.34 H new ATOM 1269 N LEU A 86 16.086 -2.393 5.257 1.00 0.23 N ATOM 1270 CA LEU A 86 16.210 -2.769 3.873 1.00 0.24 C ATOM 1271 C LEU A 86 16.484 -1.520 3.049 1.00 0.23 C ATOM 1272 O LEU A 86 15.635 -0.632 2.966 1.00 0.25 O ATOM 1273 CB LEU A 86 14.910 -3.425 3.407 1.00 0.26 C ATOM 1274 CG LEU A 86 14.808 -3.652 1.904 1.00 0.33 C ATOM 1275 CD1 LEU A 86 15.842 -4.667 1.445 1.00 0.38 C ATOM 1276 CD2 LEU A 86 13.400 -4.090 1.515 1.00 0.38 C ATOM 0 H LEU A 86 15.478 -1.587 5.404 1.00 0.23 H new ATOM 0 HA LEU A 86 17.030 -3.477 3.748 1.00 0.24 H new ATOM 0 HB2 LEU A 86 14.803 -4.385 3.913 1.00 0.26 H new ATOM 0 HB3 LEU A 86 14.073 -2.803 3.723 1.00 0.26 H new ATOM 0 HG LEU A 86 15.014 -2.707 1.401 1.00 0.33 H new ATOM 0 HD11 LEU A 86 15.753 -4.816 0.369 1.00 0.38 H new ATOM 0 HD12 LEU A 86 16.841 -4.300 1.679 1.00 0.38 H new ATOM 0 HD13 LEU A 86 15.674 -5.614 1.957 1.00 0.38 H new ATOM 0 HD21 LEU A 86 13.352 -4.246 0.437 1.00 0.38 H new ATOM 0 HD22 LEU A 86 13.154 -5.020 2.027 1.00 0.38 H new ATOM 0 HD23 LEU A 86 12.686 -3.318 1.802 1.00 0.38 H new ATOM 1288 N VAL A 87 17.670 -1.429 2.474 1.00 0.24 N ATOM 1289 CA VAL A 87 18.019 -0.279 1.654 1.00 0.22 C ATOM 1290 C VAL A 87 17.983 -0.669 0.173 1.00 0.21 C ATOM 1291 O VAL A 87 18.498 -1.720 -0.216 1.00 0.28 O ATOM 1292 CB VAL A 87 19.405 0.299 2.042 1.00 0.27 C ATOM 1293 CG1 VAL A 87 20.523 -0.682 1.745 1.00 1.00 C ATOM 1294 CG2 VAL A 87 19.651 1.625 1.344 1.00 0.94 C ATOM 0 H VAL A 87 18.405 -2.132 2.558 1.00 0.24 H new ATOM 0 HA VAL A 87 17.284 0.506 1.833 1.00 0.22 H new ATOM 0 HB VAL A 87 19.398 0.473 3.118 1.00 0.27 H new ATOM 0 HG11 VAL A 87 21.479 -0.242 2.030 1.00 1.00 H new ATOM 0 HG12 VAL A 87 20.362 -1.599 2.312 1.00 1.00 H new ATOM 0 HG13 VAL A 87 20.533 -0.911 0.679 1.00 1.00 H new ATOM 0 HG21 VAL A 87 20.629 2.011 1.631 1.00 0.94 H new ATOM 0 HG22 VAL A 87 19.621 1.479 0.264 1.00 0.94 H new ATOM 0 HG23 VAL A 87 18.879 2.338 1.635 1.00 0.94 H new ATOM 1304 N PHE A 88 17.339 0.153 -0.643 1.00 0.17 N ATOM 1305 CA PHE A 88 17.169 -0.152 -2.062 1.00 0.19 C ATOM 1306 C PHE A 88 17.025 1.123 -2.869 1.00 0.20 C ATOM 1307 O PHE A 88 16.635 2.163 -2.336 1.00 0.23 O ATOM 1308 CB PHE A 88 15.936 -1.030 -2.266 1.00 0.21 C ATOM 1309 CG PHE A 88 14.651 -0.342 -1.918 1.00 0.18 C ATOM 1310 CD1 PHE A 88 14.239 -0.233 -0.601 1.00 0.19 C ATOM 1311 CD2 PHE A 88 13.858 0.198 -2.915 1.00 0.17 C ATOM 1312 CE1 PHE A 88 13.057 0.400 -0.284 1.00 0.17 C ATOM 1313 CE2 PHE A 88 12.675 0.829 -2.605 1.00 0.16 C ATOM 1314 CZ PHE A 88 12.272 0.933 -1.291 1.00 0.15 C ATOM 0 H PHE A 88 16.924 1.037 -0.350 1.00 0.17 H new ATOM 0 HA PHE A 88 18.054 -0.687 -2.406 1.00 0.19 H new ATOM 0 HB2 PHE A 88 15.897 -1.352 -3.307 1.00 0.21 H new ATOM 0 HB3 PHE A 88 16.035 -1.929 -1.657 1.00 0.21 H new ATOM 0 HD1 PHE A 88 14.850 -0.648 0.186 1.00 0.19 H new ATOM 0 HD2 PHE A 88 14.170 0.124 -3.946 1.00 0.17 H new ATOM 0 HE1 PHE A 88 12.744 0.480 0.747 1.00 0.17 H new ATOM 0 HE2 PHE A 88 12.062 1.243 -3.392 1.00 0.16 H new ATOM 0 HZ PHE A 88 11.345 1.430 -1.048 1.00 0.15 H new ATOM 1324 N THR A 89 17.347 1.040 -4.148 1.00 0.23 N ATOM 1325 CA THR A 89 17.191 2.165 -5.048 1.00 0.25 C ATOM 1326 C THR A 89 15.720 2.350 -5.409 1.00 0.21 C ATOM 1327 O THR A 89 15.120 1.494 -6.064 1.00 0.22 O ATOM 1328 CB THR A 89 18.016 1.962 -6.333 1.00 0.33 C ATOM 1329 OG1 THR A 89 19.356 1.581 -5.997 1.00 0.42 O ATOM 1330 CG2 THR A 89 18.044 3.233 -7.173 1.00 0.37 C ATOM 0 H THR A 89 17.720 0.198 -4.587 1.00 0.23 H new ATOM 0 HA THR A 89 17.555 3.057 -4.538 1.00 0.25 H new ATOM 0 HB THR A 89 17.544 1.172 -6.917 1.00 0.33 H new ATOM 0 HG1 THR A 89 19.875 1.452 -6.818 1.00 0.42 H new ATOM 0 HG21 THR A 89 18.633 3.061 -8.074 1.00 0.37 H new ATOM 0 HG22 THR A 89 17.027 3.507 -7.452 1.00 0.37 H new ATOM 0 HG23 THR A 89 18.492 4.041 -6.595 1.00 0.37 H new ATOM 1338 N LEU A 90 15.138 3.445 -4.939 1.00 0.19 N ATOM 1339 CA LEU A 90 13.754 3.771 -5.240 1.00 0.16 C ATOM 1340 C LEU A 90 13.559 3.926 -6.743 1.00 0.15 C ATOM 1341 O LEU A 90 14.382 4.535 -7.420 1.00 0.18 O ATOM 1342 CB LEU A 90 13.371 5.069 -4.535 1.00 0.16 C ATOM 1343 CG LEU A 90 11.875 5.303 -4.373 1.00 0.34 C ATOM 1344 CD1 LEU A 90 11.242 4.138 -3.641 1.00 0.60 C ATOM 1345 CD2 LEU A 90 11.624 6.611 -3.640 1.00 0.60 C ATOM 0 H LEU A 90 15.609 4.126 -4.343 1.00 0.19 H new ATOM 0 HA LEU A 90 13.116 2.961 -4.887 1.00 0.16 H new ATOM 0 HB2 LEU A 90 13.833 5.077 -3.548 1.00 0.16 H new ATOM 0 HB3 LEU A 90 13.795 5.905 -5.092 1.00 0.16 H new ATOM 0 HG LEU A 90 11.417 5.375 -5.359 1.00 0.34 H new ATOM 0 HD11 LEU A 90 10.172 4.316 -3.531 1.00 0.60 H new ATOM 0 HD12 LEU A 90 11.401 3.222 -4.209 1.00 0.60 H new ATOM 0 HD13 LEU A 90 11.697 4.037 -2.656 1.00 0.60 H new ATOM 0 HD21 LEU A 90 10.551 6.767 -3.531 1.00 0.60 H new ATOM 0 HD22 LEU A 90 12.087 6.570 -2.654 1.00 0.60 H new ATOM 0 HD23 LEU A 90 12.054 7.435 -4.209 1.00 0.60 H new ATOM 1357 N GLY A 91 12.494 3.349 -7.265 1.00 0.20 N ATOM 1358 CA GLY A 91 12.180 3.509 -8.669 1.00 0.23 C ATOM 1359 C GLY A 91 12.985 2.578 -9.539 1.00 0.26 C ATOM 1360 O GLY A 91 12.923 2.645 -10.769 1.00 0.37 O ATOM 0 H GLY A 91 11.837 2.770 -6.742 1.00 0.20 H new ATOM 0 HA2 GLY A 91 11.117 3.323 -8.826 1.00 0.23 H new ATOM 0 HA3 GLY A 91 12.371 4.540 -8.968 1.00 0.23 H new ATOM 1364 N ASP A 92 13.746 1.706 -8.902 1.00 0.27 N ATOM 1365 CA ASP A 92 14.594 0.768 -9.618 1.00 0.32 C ATOM 1366 C ASP A 92 13.923 -0.585 -9.682 1.00 0.30 C ATOM 1367 O ASP A 92 14.314 -1.447 -10.473 1.00 0.37 O ATOM 1368 CB ASP A 92 15.964 0.666 -8.935 1.00 0.42 C ATOM 1369 CG ASP A 92 16.927 -0.257 -9.657 1.00 0.59 C ATOM 1370 OD1 ASP A 92 16.908 -1.469 -9.386 1.00 0.82 O ATOM 1371 OD2 ASP A 92 17.729 0.233 -10.483 1.00 0.93 O ATOM 0 H ASP A 92 13.794 1.627 -7.886 1.00 0.27 H new ATOM 0 HA ASP A 92 14.747 1.127 -10.636 1.00 0.32 H new ATOM 0 HB2 ASP A 92 16.405 1.661 -8.870 1.00 0.42 H new ATOM 0 HB3 ASP A 92 15.828 0.310 -7.914 1.00 0.42 H new ATOM 1376 N CYS A 93 12.874 -0.745 -8.876 1.00 0.28 N ATOM 1377 CA CYS A 93 12.212 -2.027 -8.719 1.00 0.27 C ATOM 1378 C CYS A 93 13.206 -3.016 -8.135 1.00 0.26 C ATOM 1379 O CYS A 93 13.180 -4.210 -8.443 1.00 0.31 O ATOM 1380 CB CYS A 93 11.670 -2.537 -10.059 1.00 0.38 C ATOM 1381 SG CYS A 93 10.785 -1.289 -11.028 1.00 0.62 S ATOM 0 H CYS A 93 12.466 0.007 -8.320 1.00 0.28 H new ATOM 0 HA CYS A 93 11.361 -1.914 -8.047 1.00 0.27 H new ATOM 0 HB2 CYS A 93 12.501 -2.919 -10.652 1.00 0.38 H new ATOM 0 HB3 CYS A 93 11.000 -3.376 -9.871 1.00 0.38 H new ATOM 0 HG CYS A 93 11.634 -0.430 -11.509 1.00 0.62 H new ATOM 1387 N ASP A 94 14.074 -2.502 -7.262 1.00 0.27 N ATOM 1388 CA ASP A 94 15.090 -3.321 -6.611 1.00 0.33 C ATOM 1389 C ASP A 94 14.416 -4.158 -5.535 1.00 0.33 C ATOM 1390 O ASP A 94 15.012 -5.036 -4.907 1.00 0.48 O ATOM 1391 CB ASP A 94 16.173 -2.423 -6.002 1.00 0.41 C ATOM 1392 CG ASP A 94 17.384 -3.196 -5.514 1.00 0.65 C ATOM 1393 OD1 ASP A 94 18.146 -3.720 -6.354 1.00 0.96 O ATOM 1394 OD2 ASP A 94 17.569 -3.305 -4.283 1.00 1.33 O ATOM 0 H ASP A 94 14.091 -1.519 -6.991 1.00 0.27 H new ATOM 0 HA ASP A 94 15.568 -3.979 -7.337 1.00 0.33 H new ATOM 0 HB2 ASP A 94 16.491 -1.693 -6.746 1.00 0.41 H new ATOM 0 HB3 ASP A 94 15.747 -1.864 -5.169 1.00 0.41 H new ATOM 1399 N VAL A 95 13.144 -3.857 -5.358 1.00 0.23 N ATOM 1400 CA VAL A 95 12.290 -4.514 -4.389 1.00 0.21 C ATOM 1401 C VAL A 95 10.990 -4.939 -5.046 1.00 0.20 C ATOM 1402 O VAL A 95 10.920 -5.085 -6.265 1.00 0.22 O ATOM 1403 CB VAL A 95 11.962 -3.554 -3.238 1.00 0.20 C ATOM 1404 CG1 VAL A 95 13.170 -3.369 -2.352 1.00 0.23 C ATOM 1405 CG2 VAL A 95 11.504 -2.212 -3.793 1.00 0.19 C ATOM 0 H VAL A 95 12.666 -3.134 -5.895 1.00 0.23 H new ATOM 0 HA VAL A 95 12.816 -5.388 -4.005 1.00 0.21 H new ATOM 0 HB VAL A 95 11.156 -3.981 -2.642 1.00 0.20 H new ATOM 0 HG11 VAL A 95 12.924 -2.686 -1.539 1.00 0.23 H new ATOM 0 HG12 VAL A 95 13.469 -4.332 -1.938 1.00 0.23 H new ATOM 0 HG13 VAL A 95 13.991 -2.955 -2.938 1.00 0.23 H new ATOM 0 HG21 VAL A 95 11.273 -1.537 -2.969 1.00 0.19 H new ATOM 0 HG22 VAL A 95 12.297 -1.781 -4.404 1.00 0.19 H new ATOM 0 HG23 VAL A 95 10.613 -2.356 -4.404 1.00 0.19 H new ATOM 1415 N ILE A 96 9.954 -5.110 -4.242 1.00 0.19 N ATOM 1416 CA ILE A 96 8.647 -5.389 -4.766 1.00 0.19 C ATOM 1417 C ILE A 96 8.049 -4.074 -5.221 1.00 0.16 C ATOM 1418 O ILE A 96 8.205 -3.052 -4.546 1.00 0.15 O ATOM 1419 CB ILE A 96 7.740 -6.076 -3.719 1.00 0.22 C ATOM 1420 CG1 ILE A 96 7.583 -5.203 -2.472 1.00 0.25 C ATOM 1421 CG2 ILE A 96 8.320 -7.430 -3.351 1.00 0.26 C ATOM 1422 CD1 ILE A 96 6.676 -5.802 -1.416 1.00 0.29 C ATOM 0 H ILE A 96 10.003 -5.059 -3.224 1.00 0.19 H new ATOM 0 HA ILE A 96 8.727 -6.085 -5.601 1.00 0.19 H new ATOM 0 HB ILE A 96 6.750 -6.217 -4.153 1.00 0.22 H new ATOM 0 HG12 ILE A 96 8.567 -5.028 -2.036 1.00 0.25 H new ATOM 0 HG13 ILE A 96 7.188 -4.231 -2.768 1.00 0.25 H new ATOM 0 HG21 ILE A 96 7.679 -7.912 -2.613 1.00 0.26 H new ATOM 0 HG22 ILE A 96 8.380 -8.054 -4.242 1.00 0.26 H new ATOM 0 HG23 ILE A 96 9.318 -7.297 -2.933 1.00 0.26 H new ATOM 0 HD11 ILE A 96 6.614 -5.126 -0.563 1.00 0.29 H new ATOM 0 HD12 ILE A 96 5.680 -5.951 -1.834 1.00 0.29 H new ATOM 0 HD13 ILE A 96 7.080 -6.761 -1.091 1.00 0.29 H new ATOM 1434 N GLN A 97 7.412 -4.084 -6.371 1.00 0.17 N ATOM 1435 CA GLN A 97 6.924 -2.851 -6.975 1.00 0.17 C ATOM 1436 C GLN A 97 5.966 -2.128 -6.036 1.00 0.16 C ATOM 1437 O GLN A 97 5.875 -0.904 -6.056 1.00 0.16 O ATOM 1438 CB GLN A 97 6.249 -3.114 -8.318 1.00 0.19 C ATOM 1439 CG GLN A 97 6.217 -1.877 -9.199 1.00 0.25 C ATOM 1440 CD GLN A 97 7.586 -1.533 -9.757 1.00 0.31 C ATOM 1441 OE1 GLN A 97 8.393 -0.809 -8.990 1.00 0.40 O flip ATOM 1442 NE2 GLN A 97 7.933 -1.951 -10.863 1.00 0.32 N flip ATOM 0 H GLN A 97 7.217 -4.927 -6.911 1.00 0.17 H new ATOM 0 HA GLN A 97 7.789 -2.212 -7.152 1.00 0.17 H new ATOM 0 HB2 GLN A 97 6.777 -3.914 -8.837 1.00 0.19 H new ATOM 0 HB3 GLN A 97 5.230 -3.463 -8.148 1.00 0.19 H new ATOM 0 HG2 GLN A 97 5.521 -2.038 -10.022 1.00 0.25 H new ATOM 0 HG3 GLN A 97 5.839 -1.033 -8.623 1.00 0.25 H new ATOM 0 HE21 GLN A 97 7.286 -2.504 -11.425 1.00 0.32 H new ATOM 0 HE22 GLN A 97 8.867 -1.744 -11.217 1.00 0.32 H new ATOM 1451 N ALA A 98 5.275 -2.899 -5.200 1.00 0.17 N ATOM 1452 CA ALA A 98 4.401 -2.341 -4.178 1.00 0.18 C ATOM 1453 C ALA A 98 5.164 -1.384 -3.280 1.00 0.17 C ATOM 1454 O ALA A 98 4.720 -0.269 -3.015 1.00 0.20 O ATOM 1455 CB ALA A 98 3.809 -3.464 -3.348 1.00 0.20 C ATOM 0 H ALA A 98 5.306 -3.918 -5.213 1.00 0.17 H new ATOM 0 HA ALA A 98 3.601 -1.787 -4.669 1.00 0.18 H new ATOM 0 HB1 ALA A 98 3.155 -3.045 -2.583 1.00 0.20 H new ATOM 0 HB2 ALA A 98 3.234 -4.129 -3.993 1.00 0.20 H new ATOM 0 HB3 ALA A 98 4.612 -4.026 -2.871 1.00 0.20 H new ATOM 1461 N LEU A 99 6.331 -1.827 -2.841 1.00 0.17 N ATOM 1462 CA LEU A 99 7.154 -1.042 -1.936 1.00 0.17 C ATOM 1463 C LEU A 99 7.778 0.129 -2.667 1.00 0.15 C ATOM 1464 O LEU A 99 7.814 1.248 -2.161 1.00 0.15 O ATOM 1465 CB LEU A 99 8.262 -1.885 -1.317 1.00 0.19 C ATOM 1466 CG LEU A 99 9.133 -1.128 -0.308 1.00 0.18 C ATOM 1467 CD1 LEU A 99 8.282 -0.581 0.829 1.00 0.21 C ATOM 1468 CD2 LEU A 99 10.235 -2.020 0.232 1.00 0.22 C ATOM 0 H LEU A 99 6.731 -2.730 -3.098 1.00 0.17 H new ATOM 0 HA LEU A 99 6.503 -0.678 -1.141 1.00 0.17 H new ATOM 0 HB2 LEU A 99 7.815 -2.746 -0.821 1.00 0.19 H new ATOM 0 HB3 LEU A 99 8.899 -2.271 -2.113 1.00 0.19 H new ATOM 0 HG LEU A 99 9.599 -0.289 -0.825 1.00 0.18 H new ATOM 0 HD11 LEU A 99 8.918 -0.047 1.535 1.00 0.21 H new ATOM 0 HD12 LEU A 99 7.533 0.101 0.427 1.00 0.21 H new ATOM 0 HD13 LEU A 99 7.785 -1.405 1.340 1.00 0.21 H new ATOM 0 HD21 LEU A 99 10.839 -1.460 0.946 1.00 0.22 H new ATOM 0 HD22 LEU A 99 9.793 -2.884 0.729 1.00 0.22 H new ATOM 0 HD23 LEU A 99 10.865 -2.358 -0.591 1.00 0.22 H new ATOM 1480 N ASP A 100 8.230 -0.146 -3.880 1.00 0.15 N ATOM 1481 CA ASP A 100 8.971 0.815 -4.681 1.00 0.16 C ATOM 1482 C ASP A 100 8.106 2.041 -4.953 1.00 0.15 C ATOM 1483 O ASP A 100 8.601 3.157 -5.092 1.00 0.16 O ATOM 1484 CB ASP A 100 9.401 0.129 -5.985 1.00 0.17 C ATOM 1485 CG ASP A 100 10.244 1.001 -6.889 1.00 0.20 C ATOM 1486 OD1 ASP A 100 9.674 1.759 -7.699 1.00 0.26 O ATOM 1487 OD2 ASP A 100 11.489 0.900 -6.817 1.00 0.21 O ATOM 0 H ASP A 100 8.092 -1.047 -4.339 1.00 0.15 H new ATOM 0 HA ASP A 100 9.860 1.154 -4.149 1.00 0.16 H new ATOM 0 HB2 ASP A 100 9.962 -0.773 -5.741 1.00 0.17 H new ATOM 0 HB3 ASP A 100 8.510 -0.186 -6.529 1.00 0.17 H new ATOM 1492 N LEU A 101 6.804 1.815 -5.018 1.00 0.16 N ATOM 1493 CA LEU A 101 5.841 2.883 -5.197 1.00 0.16 C ATOM 1494 C LEU A 101 5.358 3.456 -3.862 1.00 0.15 C ATOM 1495 O LEU A 101 5.092 4.655 -3.744 1.00 0.16 O ATOM 1496 CB LEU A 101 4.659 2.356 -5.999 1.00 0.19 C ATOM 1497 CG LEU A 101 5.004 1.845 -7.400 1.00 0.22 C ATOM 1498 CD1 LEU A 101 3.752 1.349 -8.107 1.00 0.25 C ATOM 1499 CD2 LEU A 101 5.688 2.936 -8.212 1.00 0.25 C ATOM 0 H LEU A 101 6.388 0.886 -4.948 1.00 0.16 H new ATOM 0 HA LEU A 101 6.331 3.695 -5.734 1.00 0.16 H new ATOM 0 HB2 LEU A 101 4.191 1.547 -5.439 1.00 0.19 H new ATOM 0 HB3 LEU A 101 3.918 3.150 -6.091 1.00 0.19 H new ATOM 0 HG LEU A 101 5.696 1.008 -7.304 1.00 0.22 H new ATOM 0 HD11 LEU A 101 4.014 0.989 -9.102 1.00 0.25 H new ATOM 0 HD12 LEU A 101 3.308 0.536 -7.533 1.00 0.25 H new ATOM 0 HD13 LEU A 101 3.036 2.166 -8.194 1.00 0.25 H new ATOM 0 HD21 LEU A 101 5.926 2.555 -9.205 1.00 0.25 H new ATOM 0 HD22 LEU A 101 5.022 3.794 -8.302 1.00 0.25 H new ATOM 0 HD23 LEU A 101 6.606 3.241 -7.711 1.00 0.25 H new ATOM 1511 N SER A 102 5.261 2.605 -2.852 1.00 0.15 N ATOM 1512 CA SER A 102 4.700 3.013 -1.571 1.00 0.17 C ATOM 1513 C SER A 102 5.621 3.994 -0.856 1.00 0.15 C ATOM 1514 O SER A 102 5.159 4.840 -0.092 1.00 0.18 O ATOM 1515 CB SER A 102 4.436 1.797 -0.678 1.00 0.23 C ATOM 1516 OG SER A 102 4.063 2.194 0.629 1.00 1.01 O ATOM 0 H SER A 102 5.562 1.631 -2.893 1.00 0.15 H new ATOM 0 HA SER A 102 3.752 3.512 -1.772 1.00 0.17 H new ATOM 0 HB2 SER A 102 3.646 1.186 -1.115 1.00 0.23 H new ATOM 0 HB3 SER A 102 5.330 1.176 -0.631 1.00 0.23 H new ATOM 0 HG SER A 102 4.707 1.836 1.276 1.00 1.01 H new ATOM 1522 N VAL A 103 6.913 3.877 -1.112 1.00 0.15 N ATOM 1523 CA VAL A 103 7.904 4.721 -0.460 1.00 0.16 C ATOM 1524 C VAL A 103 7.782 6.193 -0.863 1.00 0.16 C ATOM 1525 O VAL A 103 7.653 7.048 0.003 1.00 0.18 O ATOM 1526 CB VAL A 103 9.324 4.223 -0.741 1.00 0.18 C ATOM 1527 CG1 VAL A 103 10.365 5.229 -0.273 1.00 0.21 C ATOM 1528 CG2 VAL A 103 9.546 2.884 -0.064 1.00 0.19 C ATOM 0 H VAL A 103 7.303 3.202 -1.770 1.00 0.15 H new ATOM 0 HA VAL A 103 7.704 4.654 0.609 1.00 0.16 H new ATOM 0 HB VAL A 103 9.436 4.104 -1.819 1.00 0.18 H new ATOM 0 HG11 VAL A 103 11.363 4.846 -0.487 1.00 0.21 H new ATOM 0 HG12 VAL A 103 10.219 6.174 -0.797 1.00 0.21 H new ATOM 0 HG13 VAL A 103 10.260 5.389 0.800 1.00 0.21 H new ATOM 0 HG21 VAL A 103 10.559 2.536 -0.269 1.00 0.19 H new ATOM 0 HG22 VAL A 103 9.410 2.993 1.012 1.00 0.19 H new ATOM 0 HG23 VAL A 103 8.829 2.159 -0.448 1.00 0.19 H new ATOM 1538 N PRO A 104 7.821 6.520 -2.172 1.00 0.17 N ATOM 1539 CA PRO A 104 7.633 7.901 -2.633 1.00 0.21 C ATOM 1540 C PRO A 104 6.249 8.434 -2.277 1.00 0.19 C ATOM 1541 O PRO A 104 6.037 9.644 -2.181 1.00 0.22 O ATOM 1542 CB PRO A 104 7.814 7.812 -4.154 1.00 0.27 C ATOM 1543 CG PRO A 104 7.611 6.374 -4.483 1.00 0.21 C ATOM 1544 CD PRO A 104 8.095 5.610 -3.291 1.00 0.17 C ATOM 0 HA PRO A 104 8.335 8.590 -2.162 1.00 0.21 H new ATOM 0 HB2 PRO A 104 7.093 8.442 -4.675 1.00 0.27 H new ATOM 0 HB3 PRO A 104 8.806 8.149 -4.454 1.00 0.27 H new ATOM 0 HG2 PRO A 104 6.560 6.163 -4.682 1.00 0.21 H new ATOM 0 HG3 PRO A 104 8.167 6.095 -5.378 1.00 0.21 H new ATOM 0 HD2 PRO A 104 7.566 4.663 -3.178 1.00 0.17 H new ATOM 0 HD3 PRO A 104 9.157 5.375 -3.368 1.00 0.17 H new ATOM 1552 N LEU A 105 5.309 7.516 -2.087 1.00 0.18 N ATOM 1553 CA LEU A 105 3.987 7.870 -1.597 1.00 0.19 C ATOM 1554 C LEU A 105 4.028 8.213 -0.107 1.00 0.22 C ATOM 1555 O LEU A 105 3.183 8.951 0.396 1.00 0.32 O ATOM 1556 CB LEU A 105 3.019 6.717 -1.831 1.00 0.18 C ATOM 1557 CG LEU A 105 2.565 6.520 -3.279 1.00 0.25 C ATOM 1558 CD1 LEU A 105 1.457 5.488 -3.343 1.00 0.53 C ATOM 1559 CD2 LEU A 105 2.097 7.833 -3.890 1.00 0.64 C ATOM 0 H LEU A 105 5.440 6.520 -2.266 1.00 0.18 H new ATOM 0 HA LEU A 105 3.646 8.749 -2.144 1.00 0.19 H new ATOM 0 HB2 LEU A 105 3.489 5.796 -1.488 1.00 0.18 H new ATOM 0 HB3 LEU A 105 2.137 6.875 -1.211 1.00 0.18 H new ATOM 0 HG LEU A 105 3.418 6.163 -3.857 1.00 0.25 H new ATOM 0 HD11 LEU A 105 1.142 5.356 -4.378 1.00 0.53 H new ATOM 0 HD12 LEU A 105 1.821 4.538 -2.951 1.00 0.53 H new ATOM 0 HD13 LEU A 105 0.610 5.826 -2.746 1.00 0.53 H new ATOM 0 HD21 LEU A 105 1.780 7.663 -4.919 1.00 0.64 H new ATOM 0 HD22 LEU A 105 1.260 8.225 -3.313 1.00 0.64 H new ATOM 0 HD23 LEU A 105 2.915 8.553 -3.876 1.00 0.64 H new ATOM 1571 N MET A 106 5.001 7.657 0.590 1.00 0.20 N ATOM 1572 CA MET A 106 5.141 7.852 2.022 1.00 0.24 C ATOM 1573 C MET A 106 6.131 8.984 2.331 1.00 0.21 C ATOM 1574 O MET A 106 6.989 9.316 1.509 1.00 0.26 O ATOM 1575 CB MET A 106 5.586 6.527 2.657 1.00 0.33 C ATOM 1576 CG MET A 106 6.992 6.544 3.226 1.00 0.53 C ATOM 1577 SD MET A 106 7.668 4.886 3.452 1.00 0.78 S ATOM 1578 CE MET A 106 6.543 4.210 4.662 1.00 0.54 C ATOM 0 H MET A 106 5.717 7.057 0.180 1.00 0.20 H new ATOM 0 HA MET A 106 4.182 8.149 2.447 1.00 0.24 H new ATOM 0 HB2 MET A 106 4.888 6.268 3.453 1.00 0.33 H new ATOM 0 HB3 MET A 106 5.521 5.739 1.907 1.00 0.33 H new ATOM 0 HG2 MET A 106 7.643 7.110 2.560 1.00 0.53 H new ATOM 0 HG3 MET A 106 6.986 7.064 4.184 1.00 0.53 H new ATOM 0 HE1 MET A 106 7.088 3.981 5.578 1.00 0.54 H new ATOM 0 HE2 MET A 106 5.760 4.937 4.877 1.00 0.54 H new ATOM 0 HE3 MET A 106 6.093 3.298 4.271 1.00 0.54 H new ATOM 1588 N ASP A 107 5.996 9.577 3.509 1.00 0.18 N ATOM 1589 CA ASP A 107 6.891 10.644 3.950 1.00 0.18 C ATOM 1590 C ASP A 107 8.074 10.077 4.721 1.00 0.14 C ATOM 1591 O ASP A 107 7.979 9.015 5.342 1.00 0.13 O ATOM 1592 CB ASP A 107 6.143 11.646 4.834 1.00 0.25 C ATOM 1593 CG ASP A 107 5.472 12.754 4.047 1.00 0.56 C ATOM 1594 OD1 ASP A 107 6.127 13.789 3.801 1.00 0.97 O ATOM 1595 OD2 ASP A 107 4.284 12.609 3.682 1.00 0.92 O ATOM 0 H ASP A 107 5.270 9.336 4.183 1.00 0.18 H new ATOM 0 HA ASP A 107 7.259 11.155 3.060 1.00 0.18 H new ATOM 0 HB2 ASP A 107 5.390 11.115 5.416 1.00 0.25 H new ATOM 0 HB3 ASP A 107 6.843 12.086 5.544 1.00 0.25 H new ATOM 1600 N VAL A 108 9.201 10.780 4.671 1.00 0.16 N ATOM 1601 CA VAL A 108 10.371 10.389 5.438 1.00 0.16 C ATOM 1602 C VAL A 108 10.048 10.382 6.920 1.00 0.15 C ATOM 1603 O VAL A 108 9.559 11.368 7.477 1.00 0.19 O ATOM 1604 CB VAL A 108 11.584 11.315 5.156 1.00 0.21 C ATOM 1605 CG1 VAL A 108 12.418 11.567 6.410 1.00 0.68 C ATOM 1606 CG2 VAL A 108 12.461 10.716 4.068 1.00 0.80 C ATOM 0 H VAL A 108 9.326 11.621 4.108 1.00 0.16 H new ATOM 0 HA VAL A 108 10.648 9.382 5.125 1.00 0.16 H new ATOM 0 HB VAL A 108 11.188 12.274 4.822 1.00 0.21 H new ATOM 0 HG11 VAL A 108 13.256 12.220 6.165 1.00 0.68 H new ATOM 0 HG12 VAL A 108 11.798 12.042 7.170 1.00 0.68 H new ATOM 0 HG13 VAL A 108 12.797 10.619 6.792 1.00 0.68 H new ATOM 0 HG21 VAL A 108 13.308 11.375 3.880 1.00 0.80 H new ATOM 0 HG22 VAL A 108 12.825 9.740 4.390 1.00 0.80 H new ATOM 0 HG23 VAL A 108 11.879 10.602 3.153 1.00 0.80 H new ATOM 1616 N GLY A 109 10.312 9.252 7.538 1.00 0.15 N ATOM 1617 CA GLY A 109 10.109 9.114 8.961 1.00 0.17 C ATOM 1618 C GLY A 109 8.733 8.588 9.309 1.00 0.18 C ATOM 1619 O GLY A 109 8.314 8.664 10.466 1.00 0.28 O ATOM 0 H GLY A 109 10.668 8.415 7.076 1.00 0.15 H new ATOM 0 HA2 GLY A 109 10.864 8.441 9.367 1.00 0.17 H new ATOM 0 HA3 GLY A 109 10.255 10.082 9.440 1.00 0.17 H new ATOM 1623 N GLU A 110 8.021 8.054 8.325 1.00 0.13 N ATOM 1624 CA GLU A 110 6.698 7.524 8.573 1.00 0.13 C ATOM 1625 C GLU A 110 6.719 6.013 8.631 1.00 0.10 C ATOM 1626 O GLU A 110 7.714 5.370 8.288 1.00 0.12 O ATOM 1627 CB GLU A 110 5.687 7.991 7.520 1.00 0.17 C ATOM 1628 CG GLU A 110 5.614 7.161 6.255 1.00 0.20 C ATOM 1629 CD GLU A 110 4.342 7.439 5.466 1.00 0.27 C ATOM 1630 OE1 GLU A 110 4.091 8.613 5.116 1.00 0.41 O ATOM 1631 OE2 GLU A 110 3.581 6.492 5.196 1.00 0.39 O ATOM 0 H GLU A 110 8.338 7.979 7.359 1.00 0.13 H new ATOM 0 HA GLU A 110 6.381 7.911 9.541 1.00 0.13 H new ATOM 0 HB2 GLU A 110 4.698 8.008 7.977 1.00 0.17 H new ATOM 0 HB3 GLU A 110 5.928 9.018 7.244 1.00 0.17 H new ATOM 0 HG2 GLU A 110 6.482 7.373 5.631 1.00 0.20 H new ATOM 0 HG3 GLU A 110 5.658 6.103 6.512 1.00 0.20 H new ATOM 1638 N THR A 111 5.622 5.457 9.094 1.00 0.10 N ATOM 1639 CA THR A 111 5.455 4.038 9.124 1.00 0.11 C ATOM 1640 C THR A 111 4.126 3.718 8.482 1.00 0.11 C ATOM 1641 O THR A 111 3.078 4.171 8.948 1.00 0.12 O ATOM 1642 CB THR A 111 5.520 3.503 10.564 1.00 0.16 C ATOM 1643 OG1 THR A 111 6.626 4.115 11.243 1.00 0.22 O ATOM 1644 CG2 THR A 111 5.696 1.994 10.580 1.00 0.19 C ATOM 0 H THR A 111 4.827 5.983 9.458 1.00 0.10 H new ATOM 0 HA THR A 111 6.262 3.553 8.575 1.00 0.11 H new ATOM 0 HB THR A 111 4.584 3.746 11.066 1.00 0.16 H new ATOM 0 HG1 THR A 111 6.672 3.779 12.162 1.00 0.22 H new ATOM 0 HG21 THR A 111 5.739 1.644 11.611 1.00 0.19 H new ATOM 0 HG22 THR A 111 4.854 1.524 10.072 1.00 0.19 H new ATOM 0 HG23 THR A 111 6.622 1.730 10.069 1.00 0.19 H new ATOM 1652 N ALA A 112 4.174 2.993 7.383 1.00 0.12 N ATOM 1653 CA ALA A 112 2.988 2.722 6.610 1.00 0.13 C ATOM 1654 C ALA A 112 2.745 1.235 6.508 1.00 0.12 C ATOM 1655 O ALA A 112 3.665 0.467 6.248 1.00 0.13 O ATOM 1656 CB ALA A 112 3.130 3.323 5.230 1.00 0.18 C ATOM 0 H ALA A 112 5.028 2.581 7.007 1.00 0.12 H new ATOM 0 HA ALA A 112 2.133 3.174 7.112 1.00 0.13 H new ATOM 0 HB1 ALA A 112 2.231 3.116 4.649 1.00 0.18 H new ATOM 0 HB2 ALA A 112 3.267 4.401 5.315 1.00 0.18 H new ATOM 0 HB3 ALA A 112 3.994 2.886 4.730 1.00 0.18 H new ATOM 1662 N MET A 113 1.513 0.830 6.720 1.00 0.12 N ATOM 1663 CA MET A 113 1.146 -0.546 6.499 1.00 0.12 C ATOM 1664 C MET A 113 0.501 -0.637 5.141 1.00 0.12 C ATOM 1665 O MET A 113 -0.520 -0.004 4.886 1.00 0.14 O ATOM 1666 CB MET A 113 0.206 -1.064 7.586 1.00 0.16 C ATOM 1667 CG MET A 113 -0.344 -2.449 7.282 1.00 0.25 C ATOM 1668 SD MET A 113 -0.949 -3.307 8.742 1.00 0.53 S ATOM 1669 CE MET A 113 -2.309 -2.247 9.198 1.00 1.32 C ATOM 0 H MET A 113 0.755 1.431 7.043 1.00 0.12 H new ATOM 0 HA MET A 113 2.037 -1.173 6.540 1.00 0.12 H new ATOM 0 HB2 MET A 113 0.738 -1.091 8.537 1.00 0.16 H new ATOM 0 HB3 MET A 113 -0.624 -0.367 7.704 1.00 0.16 H new ATOM 0 HG2 MET A 113 -1.155 -2.360 6.559 1.00 0.25 H new ATOM 0 HG3 MET A 113 0.437 -3.048 6.814 1.00 0.25 H new ATOM 0 HE1 MET A 113 -2.998 -2.795 9.841 1.00 1.32 H new ATOM 0 HE2 MET A 113 -1.928 -1.376 9.732 1.00 1.32 H new ATOM 0 HE3 MET A 113 -2.833 -1.921 8.300 1.00 1.32 H new ATOM 1679 N VAL A 114 1.119 -1.395 4.268 1.00 0.12 N ATOM 1680 CA VAL A 114 0.686 -1.490 2.898 1.00 0.12 C ATOM 1681 C VAL A 114 0.144 -2.869 2.639 1.00 0.13 C ATOM 1682 O VAL A 114 0.734 -3.861 3.059 1.00 0.16 O ATOM 1683 CB VAL A 114 1.871 -1.255 1.944 1.00 0.15 C ATOM 1684 CG1 VAL A 114 1.423 -0.992 0.517 1.00 0.18 C ATOM 1685 CG2 VAL A 114 2.738 -0.132 2.456 1.00 0.17 C ATOM 0 H VAL A 114 1.937 -1.963 4.489 1.00 0.12 H new ATOM 0 HA VAL A 114 -0.082 -0.735 2.726 1.00 0.12 H new ATOM 0 HB VAL A 114 2.459 -2.173 1.921 1.00 0.15 H new ATOM 0 HG11 VAL A 114 2.297 -0.833 -0.115 1.00 0.18 H new ATOM 0 HG12 VAL A 114 0.860 -1.849 0.149 1.00 0.18 H new ATOM 0 HG13 VAL A 114 0.790 -0.105 0.492 1.00 0.18 H new ATOM 0 HG21 VAL A 114 3.572 0.024 1.772 1.00 0.17 H new ATOM 0 HG22 VAL A 114 2.148 0.782 2.523 1.00 0.17 H new ATOM 0 HG23 VAL A 114 3.121 -0.389 3.443 1.00 0.17 H new ATOM 1695 N THR A 115 -0.976 -2.949 1.973 1.00 0.14 N ATOM 1696 CA THR A 115 -1.445 -4.223 1.532 1.00 0.14 C ATOM 1697 C THR A 115 -1.422 -4.254 0.025 1.00 0.13 C ATOM 1698 O THR A 115 -2.132 -3.501 -0.645 1.00 0.16 O ATOM 1699 CB THR A 115 -2.840 -4.557 2.063 1.00 0.17 C ATOM 1700 OG1 THR A 115 -2.823 -4.527 3.492 1.00 0.21 O ATOM 1701 CG2 THR A 115 -3.259 -5.934 1.605 1.00 0.20 C ATOM 0 H THR A 115 -1.570 -2.156 1.729 1.00 0.14 H new ATOM 0 HA THR A 115 -0.780 -4.988 1.934 1.00 0.14 H new ATOM 0 HB THR A 115 -3.548 -3.821 1.681 1.00 0.17 H new ATOM 0 HG1 THR A 115 -3.424 -3.822 3.812 1.00 0.21 H new ATOM 0 HG21 THR A 115 -4.254 -6.159 1.990 1.00 0.20 H new ATOM 0 HG22 THR A 115 -3.276 -5.966 0.516 1.00 0.20 H new ATOM 0 HG23 THR A 115 -2.550 -6.673 1.978 1.00 0.20 H new ATOM 1709 N ALA A 116 -0.559 -5.099 -0.481 1.00 0.12 N ATOM 1710 CA ALA A 116 -0.369 -5.265 -1.904 1.00 0.13 C ATOM 1711 C ALA A 116 -0.604 -6.700 -2.285 1.00 0.12 C ATOM 1712 O ALA A 116 -0.157 -7.605 -1.585 1.00 0.13 O ATOM 1713 CB ALA A 116 1.036 -4.862 -2.287 1.00 0.15 C ATOM 0 H ALA A 116 0.039 -5.698 0.088 1.00 0.12 H new ATOM 0 HA ALA A 116 -1.080 -4.630 -2.433 1.00 0.13 H new ATOM 0 HB1 ALA A 116 1.171 -4.990 -3.361 1.00 0.15 H new ATOM 0 HB2 ALA A 116 1.200 -3.817 -2.023 1.00 0.15 H new ATOM 0 HB3 ALA A 116 1.752 -5.488 -1.754 1.00 0.15 H new ATOM 1719 N ASP A 117 -1.312 -6.908 -3.377 1.00 0.13 N ATOM 1720 CA ASP A 117 -1.467 -8.246 -3.921 1.00 0.13 C ATOM 1721 C ASP A 117 -0.095 -8.869 -4.099 1.00 0.11 C ATOM 1722 O ASP A 117 0.883 -8.162 -4.362 1.00 0.12 O ATOM 1723 CB ASP A 117 -2.172 -8.202 -5.269 1.00 0.16 C ATOM 1724 CG ASP A 117 -2.670 -9.565 -5.724 1.00 0.20 C ATOM 1725 OD1 ASP A 117 -1.827 -10.435 -6.051 1.00 0.50 O ATOM 1726 OD2 ASP A 117 -3.896 -9.754 -5.795 1.00 0.58 O ATOM 0 H ASP A 117 -1.787 -6.175 -3.903 1.00 0.13 H new ATOM 0 HA ASP A 117 -2.068 -8.838 -3.231 1.00 0.13 H new ATOM 0 HB2 ASP A 117 -3.016 -7.514 -5.209 1.00 0.16 H new ATOM 0 HB3 ASP A 117 -1.488 -7.803 -6.018 1.00 0.16 H new ATOM 1731 N SER A 118 -0.027 -10.178 -3.959 1.00 0.13 N ATOM 1732 CA SER A 118 1.219 -10.905 -4.107 1.00 0.16 C ATOM 1733 C SER A 118 1.854 -10.607 -5.464 1.00 0.13 C ATOM 1734 O SER A 118 3.065 -10.641 -5.615 1.00 0.15 O ATOM 1735 CB SER A 118 0.962 -12.400 -3.967 1.00 0.27 C ATOM 1736 OG SER A 118 2.124 -13.091 -3.544 1.00 0.82 O ATOM 0 H SER A 118 -0.831 -10.766 -3.740 1.00 0.13 H new ATOM 0 HA SER A 118 1.908 -10.584 -3.326 1.00 0.16 H new ATOM 0 HB2 SER A 118 0.158 -12.566 -3.250 1.00 0.27 H new ATOM 0 HB3 SER A 118 0.626 -12.803 -4.922 1.00 0.27 H new ATOM 0 HG SER A 118 1.906 -14.034 -3.391 1.00 0.82 H new ATOM 1742 N LYS A 119 1.028 -10.295 -6.443 1.00 0.13 N ATOM 1743 CA LYS A 119 1.511 -9.905 -7.760 1.00 0.14 C ATOM 1744 C LYS A 119 2.496 -8.730 -7.674 1.00 0.14 C ATOM 1745 O LYS A 119 3.439 -8.650 -8.458 1.00 0.18 O ATOM 1746 CB LYS A 119 0.327 -9.540 -8.651 1.00 0.17 C ATOM 1747 CG LYS A 119 -0.572 -8.489 -8.041 1.00 0.19 C ATOM 1748 CD LYS A 119 -1.649 -8.035 -9.008 1.00 0.29 C ATOM 1749 CE LYS A 119 -2.547 -9.176 -9.431 1.00 0.38 C ATOM 1750 NZ LYS A 119 -3.409 -8.778 -10.576 1.00 0.81 N ATOM 0 H LYS A 119 0.012 -10.303 -6.354 1.00 0.13 H new ATOM 0 HA LYS A 119 2.046 -10.750 -8.192 1.00 0.14 H new ATOM 0 HB2 LYS A 119 0.699 -9.179 -9.610 1.00 0.17 H new ATOM 0 HB3 LYS A 119 -0.258 -10.437 -8.853 1.00 0.17 H new ATOM 0 HG2 LYS A 119 -1.038 -8.888 -7.140 1.00 0.19 H new ATOM 0 HG3 LYS A 119 0.027 -7.631 -7.736 1.00 0.19 H new ATOM 0 HD2 LYS A 119 -2.250 -7.254 -8.541 1.00 0.29 H new ATOM 0 HD3 LYS A 119 -1.183 -7.594 -9.889 1.00 0.29 H new ATOM 0 HE2 LYS A 119 -1.940 -10.037 -9.710 1.00 0.38 H new ATOM 0 HE3 LYS A 119 -3.170 -9.484 -8.591 1.00 0.38 H new ATOM 0 HZ1 LYS A 119 -4.016 -9.578 -10.848 1.00 0.81 H new ATOM 0 HZ2 LYS A 119 -4.003 -7.971 -10.299 1.00 0.81 H new ATOM 0 HZ3 LYS A 119 -2.811 -8.507 -11.383 1.00 0.81 H new ATOM 1764 N TYR A 120 2.297 -7.831 -6.705 1.00 0.13 N ATOM 1765 CA TYR A 120 3.223 -6.723 -6.497 1.00 0.15 C ATOM 1766 C TYR A 120 4.204 -7.066 -5.393 1.00 0.15 C ATOM 1767 O TYR A 120 4.993 -6.224 -4.959 1.00 0.19 O ATOM 1768 CB TYR A 120 2.471 -5.437 -6.143 1.00 0.16 C ATOM 1769 CG TYR A 120 1.565 -4.961 -7.237 1.00 0.20 C ATOM 1770 CD1 TYR A 120 2.040 -4.122 -8.225 1.00 0.28 C ATOM 1771 CD2 TYR A 120 0.232 -5.337 -7.272 1.00 0.23 C ATOM 1772 CE1 TYR A 120 1.212 -3.651 -9.219 1.00 0.34 C ATOM 1773 CE2 TYR A 120 -0.609 -4.877 -8.268 1.00 0.30 C ATOM 1774 CZ TYR A 120 -0.113 -4.129 -9.285 1.00 0.34 C ATOM 1775 OH TYR A 120 -0.950 -3.560 -10.230 1.00 0.42 O ATOM 0 H TYR A 120 1.508 -7.851 -6.059 1.00 0.13 H new ATOM 0 HA TYR A 120 3.768 -6.557 -7.426 1.00 0.15 H new ATOM 0 HB2 TYR A 120 1.883 -5.605 -5.241 1.00 0.16 H new ATOM 0 HB3 TYR A 120 3.193 -4.654 -5.912 1.00 0.16 H new ATOM 0 HD1 TYR A 120 3.080 -3.830 -8.218 1.00 0.28 H new ATOM 0 HD2 TYR A 120 -0.155 -5.998 -6.511 1.00 0.23 H new ATOM 0 HE1 TYR A 120 1.571 -2.928 -9.936 1.00 0.34 H new ATOM 0 HE2 TYR A 120 -1.662 -5.113 -8.236 1.00 0.30 H new ATOM 0 HH TYR A 120 -1.836 -3.976 -10.175 1.00 0.42 H new ATOM 1785 N CYS A 121 4.147 -8.311 -4.960 1.00 0.14 N ATOM 1786 CA CYS A 121 4.988 -8.798 -3.890 1.00 0.15 C ATOM 1787 C CYS A 121 5.790 -10.009 -4.362 1.00 0.16 C ATOM 1788 O CYS A 121 6.871 -9.845 -4.912 1.00 0.18 O ATOM 1789 CB CYS A 121 4.133 -9.149 -2.683 1.00 0.14 C ATOM 1790 SG CYS A 121 3.113 -7.780 -2.094 1.00 0.16 S ATOM 0 H CYS A 121 3.514 -9.013 -5.343 1.00 0.14 H new ATOM 0 HA CYS A 121 5.691 -8.018 -3.600 1.00 0.15 H new ATOM 0 HB2 CYS A 121 3.487 -9.989 -2.938 1.00 0.14 H new ATOM 0 HB3 CYS A 121 4.782 -9.482 -1.873 1.00 0.14 H new ATOM 0 HG CYS A 121 2.064 -7.663 -2.853 1.00 0.16 H new ATOM 1796 N TYR A 122 5.262 -11.223 -4.164 1.00 0.16 N ATOM 1797 CA TYR A 122 5.924 -12.422 -4.674 1.00 0.18 C ATOM 1798 C TYR A 122 4.915 -13.482 -5.139 1.00 0.18 C ATOM 1799 O TYR A 122 5.118 -14.656 -4.874 1.00 0.20 O ATOM 1800 CB TYR A 122 6.845 -13.051 -3.617 1.00 0.19 C ATOM 1801 CG TYR A 122 7.634 -12.060 -2.784 1.00 0.20 C ATOM 1802 CD1 TYR A 122 7.089 -11.525 -1.623 1.00 0.19 C ATOM 1803 CD2 TYR A 122 8.910 -11.645 -3.161 1.00 0.21 C ATOM 1804 CE1 TYR A 122 7.794 -10.620 -0.856 1.00 0.20 C ATOM 1805 CE2 TYR A 122 9.619 -10.744 -2.396 1.00 0.23 C ATOM 1806 CZ TYR A 122 9.109 -10.257 -1.264 1.00 0.22 C ATOM 1807 OH TYR A 122 9.759 -9.324 -0.483 1.00 0.24 O ATOM 0 H TYR A 122 4.391 -11.397 -3.662 1.00 0.16 H new ATOM 0 HA TYR A 122 6.518 -12.097 -5.528 1.00 0.18 H new ATOM 0 HB2 TYR A 122 6.241 -13.664 -2.949 1.00 0.19 H new ATOM 0 HB3 TYR A 122 7.545 -13.720 -4.118 1.00 0.19 H new ATOM 0 HD1 TYR A 122 6.097 -11.822 -1.316 1.00 0.19 H new ATOM 0 HD2 TYR A 122 9.350 -12.036 -4.067 1.00 0.21 H new ATOM 0 HE1 TYR A 122 7.357 -10.196 0.036 1.00 0.20 H new ATOM 0 HE2 TYR A 122 10.600 -10.428 -2.717 1.00 0.23 H new ATOM 0 HH TYR A 122 10.650 -9.151 -0.853 1.00 0.24 H new ATOM 1817 N GLY A 123 3.840 -13.071 -5.826 1.00 0.19 N ATOM 1818 CA GLY A 123 2.847 -14.017 -6.323 1.00 0.21 C ATOM 1819 C GLY A 123 3.443 -15.201 -7.058 1.00 0.21 C ATOM 1820 O GLY A 123 3.623 -16.265 -6.479 1.00 0.25 O ATOM 0 H GLY A 123 3.642 -12.095 -6.046 1.00 0.19 H new ATOM 0 HA2 GLY A 123 2.256 -14.383 -5.484 1.00 0.21 H new ATOM 0 HA3 GLY A 123 2.163 -13.494 -6.991 1.00 0.21 H new ATOM 1824 N PRO A 124 3.742 -15.057 -8.349 1.00 0.25 N ATOM 1825 CA PRO A 124 4.396 -16.107 -9.119 1.00 0.30 C ATOM 1826 C PRO A 124 5.903 -16.079 -8.913 1.00 0.30 C ATOM 1827 O PRO A 124 6.659 -16.726 -9.636 1.00 0.34 O ATOM 1828 CB PRO A 124 4.051 -15.764 -10.578 1.00 0.37 C ATOM 1829 CG PRO A 124 3.246 -14.499 -10.536 1.00 0.58 C ATOM 1830 CD PRO A 124 3.454 -13.889 -9.177 1.00 0.32 C ATOM 0 HA PRO A 124 4.067 -17.103 -8.824 1.00 0.30 H new ATOM 0 HB2 PRO A 124 4.956 -15.629 -11.170 1.00 0.37 H new ATOM 0 HB3 PRO A 124 3.484 -16.570 -11.043 1.00 0.37 H new ATOM 0 HG2 PRO A 124 3.566 -13.812 -11.320 1.00 0.58 H new ATOM 0 HG3 PRO A 124 2.190 -14.708 -10.707 1.00 0.58 H new ATOM 0 HD2 PRO A 124 4.278 -13.176 -9.174 1.00 0.32 H new ATOM 0 HD3 PRO A 124 2.569 -13.355 -8.832 1.00 0.32 H new ATOM 1838 N GLN A 125 6.329 -15.313 -7.918 1.00 0.27 N ATOM 1839 CA GLN A 125 7.747 -15.091 -7.683 1.00 0.30 C ATOM 1840 C GLN A 125 8.213 -15.903 -6.489 1.00 0.32 C ATOM 1841 O GLN A 125 9.185 -16.655 -6.559 1.00 0.39 O ATOM 1842 CB GLN A 125 8.010 -13.609 -7.414 1.00 0.30 C ATOM 1843 CG GLN A 125 7.139 -12.662 -8.228 1.00 0.33 C ATOM 1844 CD GLN A 125 7.235 -11.241 -7.725 1.00 0.35 C ATOM 1845 OE1 GLN A 125 8.292 -10.801 -7.278 1.00 0.65 O ATOM 1846 NE2 GLN A 125 6.123 -10.524 -7.764 1.00 0.29 N ATOM 0 H GLN A 125 5.712 -14.835 -7.261 1.00 0.27 H new ATOM 0 HA GLN A 125 8.297 -15.403 -8.571 1.00 0.30 H new ATOM 0 HB2 GLN A 125 7.851 -13.410 -6.354 1.00 0.30 H new ATOM 0 HB3 GLN A 125 9.057 -13.393 -7.625 1.00 0.30 H new ATOM 0 HG2 GLN A 125 7.442 -12.699 -9.275 1.00 0.33 H new ATOM 0 HG3 GLN A 125 6.102 -12.994 -8.184 1.00 0.33 H new ATOM 0 HE21 GLN A 125 5.268 -10.930 -8.144 1.00 0.29 H new ATOM 0 HE22 GLN A 125 6.121 -9.566 -7.414 1.00 0.29 H new ATOM 1855 N GLY A 126 7.483 -15.747 -5.399 1.00 0.27 N ATOM 1856 CA GLY A 126 7.854 -16.343 -4.147 1.00 0.27 C ATOM 1857 C GLY A 126 8.861 -15.506 -3.400 1.00 0.28 C ATOM 1858 O GLY A 126 9.747 -14.889 -3.992 1.00 0.30 O ATOM 0 H GLY A 126 6.620 -15.204 -5.366 1.00 0.27 H new ATOM 0 HA2 GLY A 126 6.965 -16.476 -3.531 1.00 0.27 H new ATOM 0 HA3 GLY A 126 8.269 -17.335 -4.326 1.00 0.27 H new ATOM 1862 N SER A 127 8.704 -15.474 -2.098 1.00 0.27 N ATOM 1863 CA SER A 127 9.539 -14.658 -1.246 1.00 0.28 C ATOM 1864 C SER A 127 10.750 -15.430 -0.718 1.00 0.32 C ATOM 1865 O SER A 127 10.800 -16.661 -0.789 1.00 0.33 O ATOM 1866 CB SER A 127 8.690 -14.090 -0.097 1.00 0.27 C ATOM 1867 OG SER A 127 9.482 -13.477 0.907 1.00 0.30 O ATOM 0 H SER A 127 7.995 -16.012 -1.599 1.00 0.27 H new ATOM 0 HA SER A 127 9.938 -13.834 -1.838 1.00 0.28 H new ATOM 0 HB2 SER A 127 7.985 -13.361 -0.496 1.00 0.27 H new ATOM 0 HB3 SER A 127 8.101 -14.892 0.348 1.00 0.27 H new ATOM 0 HG SER A 127 8.982 -12.739 1.313 1.00 0.30 H new ATOM 1873 N ARG A 128 11.724 -14.669 -0.207 1.00 0.38 N ATOM 1874 CA ARG A 128 13.001 -15.204 0.269 1.00 0.42 C ATOM 1875 C ARG A 128 12.806 -16.366 1.233 1.00 0.42 C ATOM 1876 O ARG A 128 13.234 -17.487 0.962 1.00 0.52 O ATOM 1877 CB ARG A 128 13.798 -14.101 0.964 1.00 0.52 C ATOM 1878 CG ARG A 128 14.170 -12.944 0.053 1.00 1.12 C ATOM 1879 CD ARG A 128 14.727 -11.775 0.848 1.00 1.41 C ATOM 1880 NE ARG A 128 13.714 -11.184 1.729 1.00 1.81 N ATOM 1881 CZ ARG A 128 13.872 -11.005 3.043 1.00 2.33 C ATOM 1882 NH1 ARG A 128 15.017 -11.332 3.630 1.00 2.45 N ATOM 1883 NH2 ARG A 128 12.886 -10.476 3.768 1.00 3.17 N ATOM 0 H ARG A 128 11.646 -13.656 -0.112 1.00 0.38 H new ATOM 0 HA ARG A 128 13.546 -15.573 -0.600 1.00 0.42 H new ATOM 0 HB2 ARG A 128 13.215 -13.718 1.802 1.00 0.52 H new ATOM 0 HB3 ARG A 128 14.709 -14.531 1.379 1.00 0.52 H new ATOM 0 HG2 ARG A 128 14.909 -13.275 -0.677 1.00 1.12 H new ATOM 0 HG3 ARG A 128 13.292 -12.621 -0.506 1.00 1.12 H new ATOM 0 HD2 ARG A 128 15.575 -12.112 1.444 1.00 1.41 H new ATOM 0 HD3 ARG A 128 15.101 -11.014 0.163 1.00 1.41 H new ATOM 0 HE ARG A 128 12.831 -10.891 1.311 1.00 1.81 H new ATOM 0 HH11 ARG A 128 15.780 -11.722 3.077 1.00 2.45 H new ATOM 0 HH12 ARG A 128 15.133 -11.194 4.634 1.00 2.45 H new ATOM 0 HH21 ARG A 128 12.010 -10.208 3.319 1.00 3.17 H new ATOM 0 HH22 ARG A 128 13.007 -10.340 4.772 1.00 3.17 H new ATOM 1897 N SER A 129 12.172 -16.092 2.360 1.00 0.42 N ATOM 1898 CA SER A 129 11.918 -17.124 3.344 1.00 0.44 C ATOM 1899 C SER A 129 10.830 -18.078 2.837 1.00 0.41 C ATOM 1900 O SER A 129 11.103 -19.261 2.624 1.00 0.44 O ATOM 1901 CB SER A 129 11.560 -16.501 4.701 1.00 0.48 C ATOM 1902 OG SER A 129 11.413 -17.490 5.705 1.00 1.23 O ATOM 0 H SER A 129 11.826 -15.167 2.614 1.00 0.42 H new ATOM 0 HA SER A 129 12.825 -17.710 3.493 1.00 0.44 H new ATOM 0 HB2 SER A 129 12.337 -15.796 4.995 1.00 0.48 H new ATOM 0 HB3 SER A 129 10.634 -15.934 4.609 1.00 0.48 H new ATOM 0 HG SER A 129 11.187 -17.061 6.556 1.00 1.23 H new ATOM 1908 N PRO A 130 9.588 -17.607 2.624 1.00 0.37 N ATOM 1909 CA PRO A 130 8.539 -18.411 2.043 1.00 0.36 C ATOM 1910 C PRO A 130 8.222 -18.001 0.612 1.00 0.32 C ATOM 1911 O PRO A 130 7.982 -16.831 0.341 1.00 0.27 O ATOM 1912 CB PRO A 130 7.347 -18.044 2.937 1.00 0.37 C ATOM 1913 CG PRO A 130 7.724 -16.742 3.594 1.00 0.37 C ATOM 1914 CD PRO A 130 9.032 -16.315 2.989 1.00 0.37 C ATOM 0 HA PRO A 130 8.796 -19.469 1.999 1.00 0.36 H new ATOM 0 HB2 PRO A 130 6.434 -17.938 2.351 1.00 0.37 H new ATOM 0 HB3 PRO A 130 7.160 -18.819 3.680 1.00 0.37 H new ATOM 0 HG2 PRO A 130 6.956 -15.987 3.426 1.00 0.37 H new ATOM 0 HG3 PRO A 130 7.819 -16.866 4.673 1.00 0.37 H new ATOM 0 HD2 PRO A 130 8.897 -15.663 2.126 1.00 0.37 H new ATOM 0 HD3 PRO A 130 9.662 -15.778 3.699 1.00 0.37 H new ATOM 1922 N TYR A 131 8.227 -18.946 -0.303 1.00 0.33 N ATOM 1923 CA TYR A 131 7.580 -18.729 -1.581 1.00 0.32 C ATOM 1924 C TYR A 131 6.130 -18.350 -1.312 1.00 0.30 C ATOM 1925 O TYR A 131 5.299 -19.207 -1.005 1.00 0.32 O ATOM 1926 CB TYR A 131 7.662 -19.982 -2.463 1.00 0.36 C ATOM 1927 CG TYR A 131 6.834 -19.909 -3.731 1.00 0.45 C ATOM 1928 CD1 TYR A 131 5.504 -20.309 -3.739 1.00 0.78 C ATOM 1929 CD2 TYR A 131 7.379 -19.438 -4.919 1.00 1.00 C ATOM 1930 CE1 TYR A 131 4.745 -20.252 -4.890 1.00 0.87 C ATOM 1931 CE2 TYR A 131 6.623 -19.375 -6.075 1.00 1.14 C ATOM 1932 CZ TYR A 131 5.306 -19.779 -6.054 1.00 0.81 C ATOM 1933 OH TYR A 131 4.555 -19.735 -7.209 1.00 1.00 O ATOM 0 H TYR A 131 8.665 -19.860 -0.190 1.00 0.33 H new ATOM 0 HA TYR A 131 8.085 -17.928 -2.121 1.00 0.32 H new ATOM 0 HB2 TYR A 131 8.704 -20.154 -2.733 1.00 0.36 H new ATOM 0 HB3 TYR A 131 7.337 -20.844 -1.880 1.00 0.36 H new ATOM 0 HD1 TYR A 131 5.055 -20.672 -2.826 1.00 0.78 H new ATOM 0 HD2 TYR A 131 8.410 -19.116 -4.940 1.00 1.00 H new ATOM 0 HE1 TYR A 131 3.715 -20.577 -4.877 1.00 0.87 H new ATOM 0 HE2 TYR A 131 7.063 -19.010 -6.991 1.00 1.14 H new ATOM 0 HH TYR A 131 5.099 -19.374 -7.940 1.00 1.00 H new ATOM 1943 N ILE A 132 5.859 -17.055 -1.347 1.00 0.27 N ATOM 1944 CA ILE A 132 4.529 -16.556 -1.096 1.00 0.26 C ATOM 1945 C ILE A 132 3.597 -17.010 -2.212 1.00 0.25 C ATOM 1946 O ILE A 132 3.917 -16.845 -3.387 1.00 0.25 O ATOM 1947 CB ILE A 132 4.503 -15.011 -1.021 1.00 0.25 C ATOM 1948 CG1 ILE A 132 5.525 -14.459 -0.028 1.00 0.39 C ATOM 1949 CG2 ILE A 132 3.115 -14.531 -0.650 1.00 0.26 C ATOM 1950 CD1 ILE A 132 5.487 -15.095 1.335 1.00 0.23 C ATOM 0 H ILE A 132 6.550 -16.333 -1.548 1.00 0.27 H new ATOM 0 HA ILE A 132 4.201 -16.953 -0.135 1.00 0.26 H new ATOM 0 HB ILE A 132 4.772 -14.637 -2.009 1.00 0.25 H new ATOM 0 HG12 ILE A 132 6.523 -14.588 -0.446 1.00 0.39 H new ATOM 0 HG13 ILE A 132 5.362 -13.387 0.082 1.00 0.39 H new ATOM 0 HG21 ILE A 132 3.108 -13.442 -0.600 1.00 0.26 H new ATOM 0 HG22 ILE A 132 2.401 -14.864 -1.403 1.00 0.26 H new ATOM 0 HG23 ILE A 132 2.836 -14.941 0.321 1.00 0.26 H new ATOM 0 HD11 ILE A 132 6.247 -14.640 1.970 1.00 0.23 H new ATOM 0 HD12 ILE A 132 4.503 -14.944 1.780 1.00 0.23 H new ATOM 0 HD13 ILE A 132 5.683 -16.163 1.244 1.00 0.23 H new ATOM 1962 N PRO A 133 2.452 -17.611 -1.863 1.00 0.27 N ATOM 1963 CA PRO A 133 1.452 -18.038 -2.845 1.00 0.28 C ATOM 1964 C PRO A 133 1.010 -16.885 -3.744 1.00 0.26 C ATOM 1965 O PRO A 133 0.946 -15.728 -3.307 1.00 0.26 O ATOM 1966 CB PRO A 133 0.280 -18.531 -1.988 1.00 0.34 C ATOM 1967 CG PRO A 133 0.556 -18.048 -0.602 1.00 0.61 C ATOM 1968 CD PRO A 133 2.045 -17.932 -0.490 1.00 0.31 C ATOM 0 HA PRO A 133 1.843 -18.801 -3.519 1.00 0.28 H new ATOM 0 HB2 PRO A 133 -0.667 -18.138 -2.358 1.00 0.34 H new ATOM 0 HB3 PRO A 133 0.206 -19.618 -2.015 1.00 0.34 H new ATOM 0 HG2 PRO A 133 0.076 -17.086 -0.422 1.00 0.61 H new ATOM 0 HG3 PRO A 133 0.163 -18.744 0.139 1.00 0.61 H new ATOM 0 HD2 PRO A 133 2.338 -17.151 0.211 1.00 0.31 H new ATOM 0 HD3 PRO A 133 2.498 -18.860 -0.141 1.00 0.31 H new ATOM 1976 N PRO A 134 0.715 -17.171 -5.019 1.00 0.27 N ATOM 1977 CA PRO A 134 0.307 -16.143 -5.963 1.00 0.25 C ATOM 1978 C PRO A 134 -1.008 -15.500 -5.562 1.00 0.27 C ATOM 1979 O PRO A 134 -1.919 -16.174 -5.081 1.00 0.32 O ATOM 1980 CB PRO A 134 0.161 -16.886 -7.289 1.00 0.29 C ATOM 1981 CG PRO A 134 -0.045 -18.313 -6.900 1.00 0.52 C ATOM 1982 CD PRO A 134 0.746 -18.506 -5.637 1.00 0.33 C ATOM 0 HA PRO A 134 1.029 -15.328 -6.011 1.00 0.25 H new ATOM 0 HB2 PRO A 134 -0.683 -16.506 -7.865 1.00 0.29 H new ATOM 0 HB3 PRO A 134 1.050 -16.768 -7.909 1.00 0.29 H new ATOM 0 HG2 PRO A 134 -1.101 -18.526 -6.737 1.00 0.52 H new ATOM 0 HG3 PRO A 134 0.299 -18.987 -7.685 1.00 0.52 H new ATOM 0 HD2 PRO A 134 0.297 -19.260 -4.991 1.00 0.33 H new ATOM 0 HD3 PRO A 134 1.765 -18.831 -5.845 1.00 0.33 H new ATOM 1990 N HIS A 135 -1.067 -14.188 -5.731 1.00 0.26 N ATOM 1991 CA HIS A 135 -2.267 -13.399 -5.426 1.00 0.31 C ATOM 1992 C HIS A 135 -2.559 -13.332 -3.929 1.00 0.32 C ATOM 1993 O HIS A 135 -3.599 -12.815 -3.527 1.00 0.44 O ATOM 1994 CB HIS A 135 -3.503 -13.946 -6.148 1.00 0.41 C ATOM 1995 CG HIS A 135 -3.867 -13.208 -7.396 1.00 0.87 C ATOM 1996 ND1 HIS A 135 -4.495 -12.023 -7.575 1.00 1.81 N flip ATOM 1997 CD2 HIS A 135 -3.619 -13.697 -8.656 1.00 1.64 C flip ATOM 1998 CE1 HIS A 135 -4.613 -11.821 -8.929 1.00 2.38 C flip ATOM 1999 NE2 HIS A 135 -4.074 -12.848 -9.555 1.00 2.25 N flip ATOM 0 H HIS A 135 -0.287 -13.633 -6.083 1.00 0.26 H new ATOM 0 HA HIS A 135 -2.053 -12.392 -5.783 1.00 0.31 H new ATOM 0 HB2 HIS A 135 -3.329 -14.993 -6.397 1.00 0.41 H new ATOM 0 HB3 HIS A 135 -4.351 -13.918 -5.463 1.00 0.41 H new ATOM 0 HD1 HIS A 135 -4.821 -11.395 -6.840 1.00 1.81 H new ATOM 0 HD2 HIS A 135 -3.127 -14.633 -8.876 1.00 1.64 H new ATOM 0 HE1 HIS A 135 -5.071 -10.964 -9.401 1.00 2.38 H new ATOM 2008 N ALA A 136 -1.657 -13.845 -3.103 1.00 0.24 N ATOM 2009 CA ALA A 136 -1.820 -13.733 -1.663 1.00 0.24 C ATOM 2010 C ALA A 136 -1.563 -12.300 -1.240 1.00 0.21 C ATOM 2011 O ALA A 136 -0.476 -11.767 -1.470 1.00 0.22 O ATOM 2012 CB ALA A 136 -0.893 -14.684 -0.925 1.00 0.26 C ATOM 0 H ALA A 136 -0.815 -14.337 -3.402 1.00 0.24 H new ATOM 0 HA ALA A 136 -2.842 -14.011 -1.404 1.00 0.24 H new ATOM 0 HB1 ALA A 136 -1.040 -14.575 0.149 1.00 0.26 H new ATOM 0 HB2 ALA A 136 -1.115 -15.710 -1.219 1.00 0.26 H new ATOM 0 HB3 ALA A 136 0.142 -14.450 -1.175 1.00 0.26 H new ATOM 2018 N ALA A 137 -2.549 -11.676 -0.632 1.00 0.18 N ATOM 2019 CA ALA A 137 -2.454 -10.260 -0.341 1.00 0.19 C ATOM 2020 C ALA A 137 -1.486 -10.032 0.804 1.00 0.16 C ATOM 2021 O ALA A 137 -1.726 -10.446 1.937 1.00 0.20 O ATOM 2022 CB ALA A 137 -3.827 -9.676 -0.031 1.00 0.22 C ATOM 0 H ALA A 137 -3.417 -12.120 -0.332 1.00 0.18 H new ATOM 0 HA ALA A 137 -2.072 -9.744 -1.222 1.00 0.19 H new ATOM 0 HB1 ALA A 137 -3.730 -8.612 0.184 1.00 0.22 H new ATOM 0 HB2 ALA A 137 -4.483 -9.814 -0.890 1.00 0.22 H new ATOM 0 HB3 ALA A 137 -4.251 -10.184 0.835 1.00 0.22 H new ATOM 2028 N LEU A 138 -0.373 -9.392 0.491 1.00 0.13 N ATOM 2029 CA LEU A 138 0.670 -9.155 1.461 1.00 0.12 C ATOM 2030 C LEU A 138 0.420 -7.857 2.211 1.00 0.13 C ATOM 2031 O LEU A 138 0.159 -6.817 1.609 1.00 0.15 O ATOM 2032 CB LEU A 138 2.031 -9.109 0.767 1.00 0.13 C ATOM 2033 CG LEU A 138 3.007 -10.193 1.212 1.00 0.15 C ATOM 2034 CD1 LEU A 138 2.346 -11.547 1.125 1.00 0.22 C ATOM 2035 CD2 LEU A 138 4.268 -10.162 0.372 1.00 0.19 C ATOM 0 H LEU A 138 -0.172 -9.025 -0.439 1.00 0.13 H new ATOM 0 HA LEU A 138 0.666 -9.974 2.180 1.00 0.12 H new ATOM 0 HB2 LEU A 138 1.879 -9.195 -0.309 1.00 0.13 H new ATOM 0 HB3 LEU A 138 2.484 -8.134 0.948 1.00 0.13 H new ATOM 0 HG LEU A 138 3.289 -10.003 2.248 1.00 0.15 H new ATOM 0 HD11 LEU A 138 3.049 -12.316 1.444 1.00 0.22 H new ATOM 0 HD12 LEU A 138 1.469 -11.566 1.772 1.00 0.22 H new ATOM 0 HD13 LEU A 138 2.042 -11.738 0.096 1.00 0.22 H new ATOM 0 HD21 LEU A 138 4.949 -10.944 0.708 1.00 0.19 H new ATOM 0 HD22 LEU A 138 4.012 -10.329 -0.674 1.00 0.19 H new ATOM 0 HD23 LEU A 138 4.751 -9.191 0.477 1.00 0.19 H new ATOM 2047 N CYS A 139 0.510 -7.928 3.523 1.00 0.13 N ATOM 2048 CA CYS A 139 0.321 -6.775 4.376 1.00 0.14 C ATOM 2049 C CYS A 139 1.628 -6.476 5.098 1.00 0.13 C ATOM 2050 O CYS A 139 1.969 -7.118 6.089 1.00 0.14 O ATOM 2051 CB CYS A 139 -0.787 -7.055 5.394 1.00 0.18 C ATOM 2052 SG CYS A 139 -1.619 -5.580 6.018 1.00 1.20 S ATOM 0 H CYS A 139 0.717 -8.790 4.028 1.00 0.13 H new ATOM 0 HA CYS A 139 0.030 -5.915 3.773 1.00 0.14 H new ATOM 0 HB2 CYS A 139 -1.529 -7.708 4.935 1.00 0.18 H new ATOM 0 HB3 CYS A 139 -0.360 -7.600 6.236 1.00 0.18 H new ATOM 0 HG CYS A 139 -2.052 -4.870 5.018 1.00 1.20 H new ATOM 2058 N LEU A 140 2.356 -5.510 4.596 1.00 0.13 N ATOM 2059 CA LEU A 140 3.678 -5.216 5.109 1.00 0.14 C ATOM 2060 C LEU A 140 3.730 -3.839 5.743 1.00 0.13 C ATOM 2061 O LEU A 140 3.220 -2.874 5.194 1.00 0.12 O ATOM 2062 CB LEU A 140 4.702 -5.325 3.982 1.00 0.17 C ATOM 2063 CG LEU A 140 4.368 -4.533 2.721 1.00 0.17 C ATOM 2064 CD1 LEU A 140 5.236 -3.288 2.638 1.00 0.26 C ATOM 2065 CD2 LEU A 140 4.544 -5.397 1.481 1.00 0.32 C ATOM 0 H LEU A 140 2.057 -4.909 3.828 1.00 0.13 H new ATOM 0 HA LEU A 140 3.917 -5.944 5.884 1.00 0.14 H new ATOM 0 HB2 LEU A 140 5.669 -4.989 4.357 1.00 0.17 H new ATOM 0 HB3 LEU A 140 4.812 -6.376 3.713 1.00 0.17 H new ATOM 0 HG LEU A 140 3.324 -4.224 2.771 1.00 0.17 H new ATOM 0 HD11 LEU A 140 4.988 -2.731 1.734 1.00 0.26 H new ATOM 0 HD12 LEU A 140 5.057 -2.661 3.511 1.00 0.26 H new ATOM 0 HD13 LEU A 140 6.286 -3.578 2.609 1.00 0.26 H new ATOM 0 HD21 LEU A 140 4.301 -4.813 0.593 1.00 0.32 H new ATOM 0 HD22 LEU A 140 5.577 -5.738 1.419 1.00 0.32 H new ATOM 0 HD23 LEU A 140 3.880 -6.259 1.541 1.00 0.32 H new ATOM 2077 N GLU A 141 4.332 -3.762 6.908 1.00 0.14 N ATOM 2078 CA GLU A 141 4.521 -2.490 7.576 1.00 0.13 C ATOM 2079 C GLU A 141 5.935 -1.995 7.319 1.00 0.12 C ATOM 2080 O GLU A 141 6.903 -2.696 7.616 1.00 0.15 O ATOM 2081 CB GLU A 141 4.269 -2.647 9.071 1.00 0.18 C ATOM 2082 CG GLU A 141 4.439 -1.368 9.864 1.00 0.26 C ATOM 2083 CD GLU A 141 4.291 -1.602 11.354 1.00 0.30 C ATOM 2084 OE1 GLU A 141 3.144 -1.737 11.825 1.00 1.00 O ATOM 2085 OE2 GLU A 141 5.317 -1.637 12.062 1.00 1.05 O ATOM 0 H GLU A 141 4.701 -4.566 7.415 1.00 0.14 H new ATOM 0 HA GLU A 141 3.813 -1.759 7.185 1.00 0.13 H new ATOM 0 HB2 GLU A 141 3.257 -3.023 9.221 1.00 0.18 H new ATOM 0 HB3 GLU A 141 4.950 -3.400 9.466 1.00 0.18 H new ATOM 0 HG2 GLU A 141 5.421 -0.942 9.659 1.00 0.26 H new ATOM 0 HG3 GLU A 141 3.700 -0.637 9.536 1.00 0.26 H new ATOM 2092 N VAL A 142 6.058 -0.811 6.740 1.00 0.12 N ATOM 2093 CA VAL A 142 7.363 -0.267 6.402 1.00 0.12 C ATOM 2094 C VAL A 142 7.662 1.032 7.149 1.00 0.12 C ATOM 2095 O VAL A 142 6.888 1.990 7.109 1.00 0.15 O ATOM 2096 CB VAL A 142 7.526 -0.034 4.884 1.00 0.14 C ATOM 2097 CG1 VAL A 142 7.772 -1.352 4.170 1.00 0.19 C ATOM 2098 CG2 VAL A 142 6.307 0.662 4.301 1.00 0.19 C ATOM 0 H VAL A 142 5.271 -0.210 6.495 1.00 0.12 H new ATOM 0 HA VAL A 142 8.082 -1.023 6.717 1.00 0.12 H new ATOM 0 HB VAL A 142 8.389 0.615 4.734 1.00 0.14 H new ATOM 0 HG11 VAL A 142 7.885 -1.171 3.101 1.00 0.19 H new ATOM 0 HG12 VAL A 142 8.681 -1.812 4.558 1.00 0.19 H new ATOM 0 HG13 VAL A 142 6.927 -2.020 4.338 1.00 0.19 H new ATOM 0 HG21 VAL A 142 6.451 0.812 3.231 1.00 0.19 H new ATOM 0 HG22 VAL A 142 5.423 0.046 4.465 1.00 0.19 H new ATOM 0 HG23 VAL A 142 6.172 1.628 4.788 1.00 0.19 H new ATOM 2108 N THR A 143 8.777 1.027 7.858 1.00 0.13 N ATOM 2109 CA THR A 143 9.307 2.220 8.494 1.00 0.13 C ATOM 2110 C THR A 143 10.344 2.876 7.592 1.00 0.12 C ATOM 2111 O THR A 143 11.419 2.318 7.376 1.00 0.15 O ATOM 2112 CB THR A 143 9.993 1.873 9.830 1.00 0.17 C ATOM 2113 OG1 THR A 143 9.175 0.960 10.582 1.00 0.28 O ATOM 2114 CG2 THR A 143 10.248 3.128 10.653 1.00 0.22 C ATOM 0 H THR A 143 9.343 0.192 8.009 1.00 0.13 H new ATOM 0 HA THR A 143 8.471 2.896 8.674 1.00 0.13 H new ATOM 0 HB THR A 143 10.951 1.404 9.607 1.00 0.17 H new ATOM 0 HG1 THR A 143 9.619 0.744 11.428 1.00 0.28 H new ATOM 0 HG21 THR A 143 10.733 2.856 11.591 1.00 0.22 H new ATOM 0 HG22 THR A 143 10.894 3.805 10.094 1.00 0.22 H new ATOM 0 HG23 THR A 143 9.300 3.623 10.865 1.00 0.22 H new ATOM 2122 N LEU A 144 10.024 4.039 7.053 1.00 0.13 N ATOM 2123 CA LEU A 144 11.001 4.796 6.287 1.00 0.12 C ATOM 2124 C LEU A 144 11.850 5.598 7.245 1.00 0.12 C ATOM 2125 O LEU A 144 11.447 6.653 7.726 1.00 0.14 O ATOM 2126 CB LEU A 144 10.318 5.709 5.268 1.00 0.14 C ATOM 2127 CG LEU A 144 11.265 6.514 4.374 1.00 0.12 C ATOM 2128 CD1 LEU A 144 12.184 5.585 3.588 1.00 0.15 C ATOM 2129 CD2 LEU A 144 10.466 7.395 3.427 1.00 0.13 C ATOM 0 H LEU A 144 9.106 4.477 7.129 1.00 0.13 H new ATOM 0 HA LEU A 144 11.632 4.107 5.726 1.00 0.12 H new ATOM 0 HB2 LEU A 144 9.675 5.100 4.633 1.00 0.14 H new ATOM 0 HB3 LEU A 144 9.671 6.404 5.803 1.00 0.14 H new ATOM 0 HG LEU A 144 11.884 7.149 5.008 1.00 0.12 H new ATOM 0 HD11 LEU A 144 12.849 6.177 2.959 1.00 0.15 H new ATOM 0 HD12 LEU A 144 12.777 4.988 4.281 1.00 0.15 H new ATOM 0 HD13 LEU A 144 11.584 4.925 2.961 1.00 0.15 H new ATOM 0 HD21 LEU A 144 11.149 7.963 2.796 1.00 0.13 H new ATOM 0 HD22 LEU A 144 9.827 6.771 2.801 1.00 0.13 H new ATOM 0 HD23 LEU A 144 9.848 8.083 4.004 1.00 0.13 H new ATOM 2141 N LYS A 145 13.018 5.068 7.531 1.00 0.14 N ATOM 2142 CA LYS A 145 13.861 5.606 8.578 1.00 0.17 C ATOM 2143 C LYS A 145 14.871 6.581 8.002 1.00 0.16 C ATOM 2144 O LYS A 145 15.265 7.546 8.656 1.00 0.21 O ATOM 2145 CB LYS A 145 14.581 4.462 9.292 1.00 0.26 C ATOM 2146 CG LYS A 145 13.685 3.268 9.567 1.00 0.40 C ATOM 2147 CD LYS A 145 14.464 2.104 10.154 1.00 0.60 C ATOM 2148 CE LYS A 145 15.461 1.550 9.153 1.00 0.38 C ATOM 2149 NZ LYS A 145 16.550 0.787 9.822 1.00 1.08 N ATOM 0 H LYS A 145 13.409 4.258 7.049 1.00 0.14 H new ATOM 0 HA LYS A 145 13.238 6.143 9.293 1.00 0.17 H new ATOM 0 HB2 LYS A 145 15.428 4.140 8.686 1.00 0.26 H new ATOM 0 HB3 LYS A 145 14.986 4.829 10.235 1.00 0.26 H new ATOM 0 HG2 LYS A 145 12.892 3.559 10.256 1.00 0.40 H new ATOM 0 HG3 LYS A 145 13.204 2.954 8.641 1.00 0.40 H new ATOM 0 HD2 LYS A 145 14.989 2.430 11.052 1.00 0.60 H new ATOM 0 HD3 LYS A 145 13.774 1.317 10.457 1.00 0.60 H new ATOM 0 HE2 LYS A 145 14.944 0.901 8.446 1.00 0.38 H new ATOM 0 HE3 LYS A 145 15.892 2.369 8.577 1.00 0.38 H new ATOM 0 HZ1 LYS A 145 17.430 0.888 9.277 1.00 1.08 H new ATOM 0 HZ2 LYS A 145 16.694 1.157 10.783 1.00 1.08 H new ATOM 0 HZ3 LYS A 145 16.288 -0.218 9.874 1.00 1.08 H new ATOM 2163 N THR A 146 15.297 6.323 6.773 1.00 0.16 N ATOM 2164 CA THR A 146 16.293 7.161 6.134 1.00 0.19 C ATOM 2165 C THR A 146 16.141 7.131 4.615 1.00 0.17 C ATOM 2166 O THR A 146 15.662 6.149 4.048 1.00 0.16 O ATOM 2167 CB THR A 146 17.717 6.689 6.493 1.00 0.25 C ATOM 2168 OG1 THR A 146 17.819 6.453 7.904 1.00 0.25 O ATOM 2169 CG2 THR A 146 18.765 7.716 6.085 1.00 0.37 C ATOM 0 H THR A 146 14.968 5.543 6.204 1.00 0.16 H new ATOM 0 HA THR A 146 16.139 8.178 6.496 1.00 0.19 H new ATOM 0 HB THR A 146 17.903 5.765 5.946 1.00 0.25 H new ATOM 0 HG1 THR A 146 18.726 6.152 8.121 1.00 0.25 H new ATOM 0 HG21 THR A 146 19.756 7.350 6.353 1.00 0.37 H new ATOM 0 HG22 THR A 146 18.717 7.877 5.008 1.00 0.37 H new ATOM 0 HG23 THR A 146 18.573 8.656 6.602 1.00 0.37 H new ATOM 2177 N ALA A 147 16.543 8.219 3.972 1.00 0.20 N ATOM 2178 CA ALA A 147 16.603 8.292 2.524 1.00 0.19 C ATOM 2179 C ALA A 147 17.866 9.025 2.112 1.00 0.22 C ATOM 2180 O ALA A 147 18.138 10.111 2.624 1.00 0.25 O ATOM 2181 CB ALA A 147 15.376 9.012 1.979 1.00 0.21 C ATOM 0 H ALA A 147 16.836 9.075 4.443 1.00 0.20 H new ATOM 0 HA ALA A 147 16.619 7.283 2.113 1.00 0.19 H new ATOM 0 HB1 ALA A 147 15.435 9.059 0.892 1.00 0.21 H new ATOM 0 HB2 ALA A 147 14.477 8.470 2.270 1.00 0.21 H new ATOM 0 HB3 ALA A 147 15.337 10.023 2.384 1.00 0.21 H new ATOM 2187 N VAL A 148 18.647 8.448 1.206 1.00 0.24 N ATOM 2188 CA VAL A 148 19.888 9.086 0.791 1.00 0.31 C ATOM 2189 C VAL A 148 19.981 9.135 -0.723 1.00 0.34 C ATOM 2190 O VAL A 148 19.784 8.130 -1.412 1.00 0.36 O ATOM 2191 CB VAL A 148 21.145 8.405 1.392 1.00 0.42 C ATOM 2192 CG1 VAL A 148 21.119 8.476 2.910 1.00 0.92 C ATOM 2193 CG2 VAL A 148 21.272 6.962 0.945 1.00 0.75 C ATOM 0 H VAL A 148 18.448 7.556 0.753 1.00 0.24 H new ATOM 0 HA VAL A 148 19.865 10.103 1.182 1.00 0.31 H new ATOM 0 HB VAL A 148 22.014 8.949 1.022 1.00 0.42 H new ATOM 0 HG11 VAL A 148 22.009 7.993 3.312 1.00 0.92 H new ATOM 0 HG12 VAL A 148 21.099 9.519 3.225 1.00 0.92 H new ATOM 0 HG13 VAL A 148 20.230 7.967 3.283 1.00 0.92 H new ATOM 0 HG21 VAL A 148 22.165 6.521 1.388 1.00 0.75 H new ATOM 0 HG22 VAL A 148 20.393 6.403 1.267 1.00 0.75 H new ATOM 0 HG23 VAL A 148 21.349 6.923 -0.142 1.00 0.75 H new ATOM 2203 N ASP A 149 20.252 10.317 -1.240 1.00 0.44 N ATOM 2204 CA ASP A 149 20.273 10.522 -2.669 1.00 0.52 C ATOM 2205 C ASP A 149 21.658 10.232 -3.232 1.00 0.66 C ATOM 2206 O ASP A 149 22.667 10.752 -2.758 1.00 0.79 O ATOM 2207 CB ASP A 149 19.807 11.943 -3.023 1.00 0.68 C ATOM 2208 CG ASP A 149 20.868 13.014 -2.822 1.00 1.41 C ATOM 2209 OD1 ASP A 149 21.713 13.193 -3.729 1.00 2.27 O ATOM 2210 OD2 ASP A 149 20.879 13.652 -1.748 1.00 1.61 O ATOM 0 H ASP A 149 20.461 11.149 -0.688 1.00 0.44 H new ATOM 0 HA ASP A 149 19.575 9.823 -3.129 1.00 0.52 H new ATOM 0 HB2 ASP A 149 19.483 11.959 -4.064 1.00 0.68 H new ATOM 0 HB3 ASP A 149 18.937 12.190 -2.415 1.00 0.68 H new ATOM 2215 N LEU A 150 21.703 9.352 -4.216 1.00 0.68 N ATOM 2216 CA LEU A 150 22.950 9.010 -4.867 1.00 0.89 C ATOM 2217 C LEU A 150 22.749 8.881 -6.371 1.00 0.96 C ATOM 2218 O LEU A 150 23.690 8.654 -7.124 1.00 1.38 O ATOM 2219 CB LEU A 150 23.554 7.737 -4.225 1.00 1.00 C ATOM 2220 CG LEU A 150 22.946 6.350 -4.568 1.00 1.09 C ATOM 2221 CD1 LEU A 150 21.430 6.349 -4.499 1.00 1.81 C ATOM 2222 CD2 LEU A 150 23.433 5.845 -5.920 1.00 1.97 C ATOM 0 H LEU A 150 20.887 8.861 -4.581 1.00 0.68 H new ATOM 0 HA LEU A 150 23.672 9.813 -4.719 1.00 0.89 H new ATOM 0 HB2 LEU A 150 24.611 7.706 -4.491 1.00 1.00 H new ATOM 0 HB3 LEU A 150 23.501 7.859 -3.143 1.00 1.00 H new ATOM 0 HG LEU A 150 23.300 5.659 -3.803 1.00 1.09 H new ATOM 0 HD11 LEU A 150 21.055 5.356 -4.747 1.00 1.81 H new ATOM 0 HD12 LEU A 150 21.111 6.616 -3.491 1.00 1.81 H new ATOM 0 HD13 LEU A 150 21.033 7.075 -5.209 1.00 1.81 H new ATOM 0 HD21 LEU A 150 22.987 4.872 -6.127 1.00 1.97 H new ATOM 0 HD22 LEU A 150 23.142 6.551 -6.698 1.00 1.97 H new ATOM 0 HD23 LEU A 150 24.519 5.750 -5.903 1.00 1.97 H new ATOM 2234 N GLU A 151 21.513 9.070 -6.804 1.00 0.72 N ATOM 2235 CA GLU A 151 21.178 8.971 -8.217 1.00 0.79 C ATOM 2236 C GLU A 151 21.544 10.266 -8.925 1.00 1.44 C ATOM 2237 O GLU A 151 20.806 11.249 -8.855 1.00 2.14 O ATOM 2238 CB GLU A 151 19.691 8.670 -8.407 1.00 0.57 C ATOM 2239 CG GLU A 151 19.413 7.490 -9.328 1.00 0.60 C ATOM 2240 CD GLU A 151 19.890 7.715 -10.747 1.00 0.92 C ATOM 2241 OE1 GLU A 151 21.110 7.619 -10.991 1.00 1.32 O ATOM 2242 OE2 GLU A 151 19.043 7.984 -11.625 1.00 1.57 O ATOM 0 H GLU A 151 20.724 9.293 -6.197 1.00 0.72 H new ATOM 0 HA GLU A 151 21.748 8.149 -8.650 1.00 0.79 H new ATOM 0 HB2 GLU A 151 19.243 8.472 -7.433 1.00 0.57 H new ATOM 0 HB3 GLU A 151 19.200 9.556 -8.809 1.00 0.57 H new ATOM 0 HG2 GLU A 151 19.898 6.601 -8.925 1.00 0.60 H new ATOM 0 HG3 GLU A 151 18.341 7.291 -9.339 1.00 0.60 H new ATOM 2249 N HIS A 152 22.713 10.260 -9.568 1.00 2.00 N ATOM 2250 CA HIS A 152 23.252 11.427 -10.276 1.00 2.74 C ATOM 2251 C HIS A 152 23.684 12.514 -9.292 1.00 3.34 C ATOM 2252 O HIS A 152 24.200 13.557 -9.693 1.00 4.01 O ATOM 2253 CB HIS A 152 22.245 11.980 -11.292 1.00 3.58 C ATOM 2254 CG HIS A 152 21.832 10.977 -12.328 1.00 4.23 C ATOM 2255 ND1 HIS A 152 22.732 10.208 -13.025 1.00 4.97 N ATOM 2256 CD2 HIS A 152 20.606 10.614 -12.773 1.00 4.78 C ATOM 2257 CE1 HIS A 152 22.082 9.421 -13.859 1.00 5.79 C ATOM 2258 NE2 HIS A 152 20.787 9.643 -13.727 1.00 5.71 N ATOM 0 H HIS A 152 23.318 9.440 -9.614 1.00 2.00 H new ATOM 0 HA HIS A 152 24.133 11.098 -10.827 1.00 2.74 H new ATOM 0 HB2 HIS A 152 21.359 12.329 -10.761 1.00 3.58 H new ATOM 0 HB3 HIS A 152 22.681 12.847 -11.789 1.00 3.58 H new ATOM 0 HD2 HIS A 152 19.660 11.014 -12.439 1.00 4.78 H new ATOM 0 HE1 HIS A 152 22.534 8.712 -14.538 1.00 5.79 H new ATOM 0 HE2 HIS A 152 20.046 9.172 -14.246 1.00 5.71 H new ATOM 2267 N HIS A 153 23.473 12.237 -8.002 1.00 3.70 N ATOM 2268 CA HIS A 153 23.915 13.098 -6.903 1.00 4.77 C ATOM 2269 C HIS A 153 23.132 14.405 -6.837 1.00 5.09 C ATOM 2270 O HIS A 153 22.814 15.017 -7.858 1.00 5.37 O ATOM 2271 CB HIS A 153 25.418 13.387 -6.987 1.00 5.63 C ATOM 2272 CG HIS A 153 26.274 12.191 -6.694 1.00 6.19 C ATOM 2273 ND1 HIS A 153 27.179 12.143 -5.656 1.00 6.78 N ATOM 2274 CD2 HIS A 153 26.353 10.988 -7.310 1.00 6.64 C ATOM 2275 CE1 HIS A 153 27.776 10.966 -5.648 1.00 7.48 C ATOM 2276 NE2 HIS A 153 27.292 10.245 -6.642 1.00 7.41 N ATOM 0 H HIS A 153 22.984 11.398 -7.689 1.00 3.70 H new ATOM 0 HA HIS A 153 23.716 12.546 -5.984 1.00 4.77 H new ATOM 0 HB2 HIS A 153 25.654 13.757 -7.985 1.00 5.63 H new ATOM 0 HB3 HIS A 153 25.667 14.183 -6.285 1.00 5.63 H new ATOM 0 HD2 HIS A 153 25.781 10.672 -8.170 1.00 6.64 H new ATOM 0 HE1 HIS A 153 28.533 10.647 -4.947 1.00 7.48 H new ATOM 0 HE2 HIS A 153 27.571 9.292 -6.875 1.00 7.41 H new ATOM 2285 N HIS A 154 22.784 14.788 -5.616 1.00 5.42 N ATOM 2286 CA HIS A 154 22.187 16.088 -5.333 1.00 6.05 C ATOM 2287 C HIS A 154 22.943 17.217 -6.029 1.00 6.57 C ATOM 2288 O HIS A 154 24.113 17.473 -5.741 1.00 7.00 O ATOM 2289 CB HIS A 154 22.164 16.341 -3.814 1.00 6.58 C ATOM 2290 CG HIS A 154 23.477 16.069 -3.127 1.00 7.19 C ATOM 2291 ND1 HIS A 154 24.415 17.044 -2.845 1.00 7.60 N ATOM 2292 CD2 HIS A 154 24.004 14.909 -2.668 1.00 7.78 C ATOM 2293 CE1 HIS A 154 25.456 16.492 -2.250 1.00 8.35 C ATOM 2294 NE2 HIS A 154 25.228 15.200 -2.130 1.00 8.46 N ATOM 0 H HIS A 154 22.908 14.203 -4.789 1.00 5.42 H new ATOM 0 HA HIS A 154 21.168 16.074 -5.718 1.00 6.05 H new ATOM 0 HB2 HIS A 154 21.879 17.377 -3.633 1.00 6.58 H new ATOM 0 HB3 HIS A 154 21.394 15.715 -3.364 1.00 6.58 H new ATOM 0 HD1 HIS A 154 24.318 18.036 -3.063 1.00 7.60 H new ATOM 0 HD2 HIS A 154 23.543 13.934 -2.717 1.00 7.78 H new ATOM 0 HE1 HIS A 154 26.343 17.011 -1.918 1.00 8.35 H new ATOM 2303 N HIS A 155 22.274 17.877 -6.957 1.00 6.86 N ATOM 2304 CA HIS A 155 22.829 19.057 -7.593 1.00 7.69 C ATOM 2305 C HIS A 155 22.392 20.294 -6.833 1.00 8.40 C ATOM 2306 O HIS A 155 22.908 21.390 -7.051 1.00 8.69 O ATOM 2307 CB HIS A 155 22.433 19.136 -9.067 1.00 7.95 C ATOM 2308 CG HIS A 155 23.281 18.263 -9.937 1.00 8.17 C ATOM 2309 ND1 HIS A 155 24.443 18.702 -10.532 1.00 8.40 N ATOM 2310 CD2 HIS A 155 23.147 16.965 -10.290 1.00 8.48 C ATOM 2311 CE1 HIS A 155 24.988 17.714 -11.211 1.00 8.78 C ATOM 2312 NE2 HIS A 155 24.222 16.646 -11.081 1.00 8.83 N ATOM 0 H HIS A 155 21.345 17.615 -7.287 1.00 6.86 H new ATOM 0 HA HIS A 155 23.917 18.994 -7.564 1.00 7.69 H new ATOM 0 HB2 HIS A 155 21.388 18.845 -9.175 1.00 7.95 H new ATOM 0 HB3 HIS A 155 22.513 20.169 -9.406 1.00 7.95 H new ATOM 0 HD2 HIS A 155 22.344 16.303 -10.003 1.00 8.48 H new ATOM 0 HE1 HIS A 155 25.906 17.768 -11.778 1.00 8.78 H new ATOM 0 HE2 HIS A 155 24.400 15.733 -11.500 1.00 8.83 H new ATOM 2321 N HIS A 156 21.427 20.105 -5.936 1.00 8.92 N ATOM 2322 CA HIS A 156 21.095 21.133 -4.962 1.00 9.83 C ATOM 2323 C HIS A 156 22.162 21.128 -3.864 1.00 10.27 C ATOM 2324 O HIS A 156 22.045 20.424 -2.859 1.00 10.47 O ATOM 2325 CB HIS A 156 19.667 20.957 -4.387 1.00 10.32 C ATOM 2326 CG HIS A 156 19.425 19.706 -3.589 1.00 10.97 C ATOM 2327 ND1 HIS A 156 19.354 19.694 -2.209 1.00 11.47 N ATOM 2328 CD2 HIS A 156 19.218 18.428 -3.982 1.00 11.42 C ATOM 2329 CE1 HIS A 156 19.118 18.466 -1.792 1.00 12.17 C ATOM 2330 NE2 HIS A 156 19.031 17.681 -2.845 1.00 12.15 N ATOM 0 H HIS A 156 20.867 19.255 -5.866 1.00 8.92 H new ATOM 0 HA HIS A 156 21.091 22.105 -5.456 1.00 9.83 H new ATOM 0 HB2 HIS A 156 19.444 21.816 -3.754 1.00 10.32 H new ATOM 0 HB3 HIS A 156 18.959 20.978 -5.215 1.00 10.32 H new ATOM 0 HD2 HIS A 156 19.203 18.064 -4.999 1.00 11.42 H new ATOM 0 HE1 HIS A 156 19.014 18.157 -0.762 1.00 12.17 H new ATOM 0 HE2 HIS A 156 18.853 16.677 -2.820 1.00 12.15 H new ATOM 2339 N HIS A 157 23.224 21.890 -4.109 1.00 10.63 N ATOM 2340 CA HIS A 157 24.403 21.930 -3.241 1.00 11.28 C ATOM 2341 C HIS A 157 25.147 20.599 -3.301 1.00 11.64 C ATOM 2342 O HIS A 157 26.075 20.476 -4.125 1.00 11.96 O ATOM 2343 CB HIS A 157 24.040 22.267 -1.785 1.00 11.62 C ATOM 2344 CG HIS A 157 23.320 23.567 -1.619 1.00 12.24 C ATOM 2345 ND1 HIS A 157 22.836 24.004 -0.409 1.00 12.87 N ATOM 2346 CD2 HIS A 157 22.975 24.514 -2.521 1.00 12.51 C ATOM 2347 CE1 HIS A 157 22.225 25.159 -0.573 1.00 13.46 C ATOM 2348 NE2 HIS A 157 22.293 25.493 -1.845 1.00 13.27 N ATOM 2349 OXT HIS A 157 24.777 19.671 -2.553 1.00 11.78 O ATOM 0 H HIS A 157 23.294 22.503 -4.921 1.00 10.63 H new ATOM 0 HA HIS A 157 25.050 22.726 -3.609 1.00 11.28 H new ATOM 0 HB2 HIS A 157 23.419 21.467 -1.382 1.00 11.62 H new ATOM 0 HB3 HIS A 157 24.953 22.292 -1.191 1.00 11.62 H new ATOM 0 HD2 HIS A 157 23.196 24.501 -3.578 1.00 12.51 H new ATOM 0 HE1 HIS A 157 21.748 25.736 0.206 1.00 13.46 H new ATOM 0 HE2 HIS A 157 21.903 26.340 -2.259 1.00 13.27 H new TER 2358 HIS A 157