USER MOD reduce.3.24.130724 H: found=0, std=0, add=826, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 826 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 32 GLN : amide:sc= 0.51 K(o=0.51,f=0) USER MOD Set 1.2: A 48 TYR OH : rot 30:sc= 0 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 174:sc= 0 (180deg=-0.0452) USER MOD Single : A 3 GLN : amide:sc= -0.0795 X(o=-0.08,f=-0.15) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 34:sc= 0.676 USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 9 GLN : amide:sc= 0 K(o=0,f=-0.5) USER MOD Single : A 13 GLN : amide:sc= -0.0488 X(o=-0.049,f=-0.19) USER MOD Single : A 17 THR OG1 : rot 180:sc= -0.0239 USER MOD Single : A 18 LYS NZ :NH3+ 168:sc= -0.0439 (180deg=-0.216) USER MOD Single : A 19 GLN : amide:sc= -0.115 X(o=-0.12,f=-0.075) USER MOD Single : A 24 LYS NZ :NH3+ -109:sc= -0.69 (180deg=-2.87!) USER MOD Single : A 33 SER OG : rot -23:sc= 0.169 USER MOD Single : A 34 SER OG : rot 62:sc= 1.26 USER MOD Single : A 41 ASN : amide:sc= -0.212 K(o=-0.21,f=-7.5!) USER MOD Single : A 44 ASN : amide:sc= -0.639 X(o=-0.64,f=-0.54) USER MOD Single : A 47 ASN : amide:sc= -0.374 K(o=-0.37,f=-3.1!) USER MOD Single : A 50 ASN :FLIP amide:sc= -0.14 F(o=-0.7,f=-0.14) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 GLN : amide:sc= 0.708 K(o=0.71,f=-0.028) USER MOD Single : A 58 SER OG : rot 120:sc= 0 USER MOD Single : A 61 TYR OH : rot 171:sc= 0.0635 USER MOD Single : A 63 TYR OH : rot 30:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 LYS NZ :NH3+ -140:sc= -2.08! (180deg=-4.57!) USER MOD Single : A 67 SER OG : rot 180:sc= -0.35 USER MOD Single : A 71 LYS NZ :NH3+ -152:sc= 0.00697 (180deg=-0.42) USER MOD Single : A 74 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 THR OG1 : rot 29:sc= 0.261 USER MOD Single : A 83 GLN : amide:sc= 0 X(o=0,f=-0.32) USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 88 THR OG1 : rot -25:sc= 0.628 USER MOD Single : A 89 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 TYR OH : rot 180:sc= 0 USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 101 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 102 HIS :FLIP no HD1:sc= -0.112 F(o=-0.8,f=-0.11) USER MOD Single : A 103 HIS : no HD1:sc= -0.0126 X(o=-0.013,f=-0.013) USER MOD Single : A 104 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 105 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 38.330 -24.994 -1.645 1.00 61.44 N ATOM 2 CA MET A 1 38.853 -23.875 -0.814 1.00 10.14 C ATOM 3 C MET A 1 37.766 -22.822 -0.555 1.00 42.12 C ATOM 4 O MET A 1 37.044 -22.425 -1.470 1.00 2.41 O ATOM 5 CB MET A 1 40.063 -23.216 -1.500 1.00 11.13 C ATOM 6 CG MET A 1 39.750 -22.589 -2.856 1.00 3.43 C ATOM 7 SD MET A 1 41.193 -21.817 -3.613 1.00 20.30 S ATOM 8 CE MET A 1 40.486 -21.172 -5.131 1.00 51.02 C ATOM 0 H1 MET A 1 39.109 -25.638 -1.889 1.00 61.44 H new ATOM 0 H2 MET A 1 37.605 -25.514 -1.110 1.00 61.44 H new ATOM 0 H3 MET A 1 37.910 -24.612 -2.517 1.00 61.44 H new ATOM 0 HA MET A 1 39.166 -24.290 0.144 1.00 10.14 H new ATOM 0 HB2 MET A 1 40.465 -22.447 -0.841 1.00 11.13 H new ATOM 0 HB3 MET A 1 40.844 -23.965 -1.630 1.00 11.13 H new ATOM 0 HG2 MET A 1 39.360 -23.356 -3.525 1.00 3.43 H new ATOM 0 HG3 MET A 1 38.965 -21.843 -2.734 1.00 3.43 H new ATOM 0 HE1 MET A 1 41.261 -20.666 -5.707 1.00 51.02 H new ATOM 0 HE2 MET A 1 40.075 -21.993 -5.719 1.00 51.02 H new ATOM 0 HE3 MET A 1 39.692 -20.465 -4.891 1.00 51.02 H new ATOM 20 N ASP A 2 37.645 -22.378 0.694 1.00 10.11 N ATOM 21 CA ASP A 2 36.687 -21.328 1.049 1.00 43.24 C ATOM 22 C ASP A 2 37.406 -19.973 1.171 1.00 31.20 C ATOM 23 O ASP A 2 37.944 -19.631 2.229 1.00 11.31 O ATOM 24 CB ASP A 2 35.962 -21.685 2.357 1.00 11.31 C ATOM 25 CG ASP A 2 34.740 -20.811 2.604 1.00 72.23 C ATOM 26 OD1 ASP A 2 33.665 -21.114 2.044 1.00 43.02 O ATOM 27 OD2 ASP A 2 34.838 -19.828 3.360 1.00 3.12 O ATOM 0 H ASP A 2 38.197 -22.727 1.478 1.00 10.11 H new ATOM 0 HA ASP A 2 35.940 -21.249 0.259 1.00 43.24 H new ATOM 0 HB2 ASP A 2 35.656 -22.731 2.325 1.00 11.31 H new ATOM 0 HB3 ASP A 2 36.654 -21.580 3.192 1.00 11.31 H new ATOM 32 N GLN A 3 37.443 -19.225 0.070 1.00 61.11 N ATOM 33 CA GLN A 3 38.151 -17.940 0.018 1.00 32.12 C ATOM 34 C GLN A 3 37.243 -16.771 0.422 1.00 13.51 C ATOM 35 O GLN A 3 36.377 -16.342 -0.345 1.00 34.25 O ATOM 36 CB GLN A 3 38.716 -17.708 -1.392 1.00 52.13 C ATOM 37 CG GLN A 3 39.824 -18.684 -1.784 1.00 2.34 C ATOM 38 CD GLN A 3 41.071 -18.533 -0.925 1.00 4.43 C ATOM 39 OE1 GLN A 3 41.221 -19.182 0.107 1.00 1.01 O ATOM 40 NE2 GLN A 3 41.969 -17.663 -1.338 1.00 12.40 N ATOM 0 H GLN A 3 36.989 -19.486 -0.805 1.00 61.11 H new ATOM 0 HA GLN A 3 38.970 -17.984 0.736 1.00 32.12 H new ATOM 0 HB2 GLN A 3 37.904 -17.786 -2.115 1.00 52.13 H new ATOM 0 HB3 GLN A 3 39.102 -16.691 -1.455 1.00 52.13 H new ATOM 0 HG2 GLN A 3 39.451 -19.704 -1.699 1.00 2.34 H new ATOM 0 HG3 GLN A 3 40.087 -18.527 -2.830 1.00 2.34 H new ATOM 0 HE21 GLN A 3 41.814 -17.140 -2.200 1.00 12.40 H new ATOM 0 HE22 GLN A 3 42.820 -17.512 -0.796 1.00 12.40 H new ATOM 49 N LYS A 4 37.446 -16.259 1.633 1.00 22.01 N ATOM 50 CA LYS A 4 36.660 -15.127 2.129 1.00 11.15 C ATOM 51 C LYS A 4 37.150 -13.804 1.521 1.00 14.11 C ATOM 52 O LYS A 4 38.036 -13.145 2.069 1.00 53.31 O ATOM 53 CB LYS A 4 36.721 -15.056 3.664 1.00 1.32 C ATOM 54 CG LYS A 4 36.230 -16.321 4.368 1.00 54.50 C ATOM 55 CD LYS A 4 34.781 -16.659 4.012 1.00 71.43 C ATOM 56 CE LYS A 4 33.806 -15.565 4.436 1.00 42.23 C ATOM 57 NZ LYS A 4 32.401 -15.918 4.098 1.00 2.11 N ATOM 0 H LYS A 4 38.145 -16.607 2.289 1.00 22.01 H new ATOM 0 HA LYS A 4 35.625 -15.282 1.824 1.00 11.15 H new ATOM 0 HB2 LYS A 4 37.750 -14.860 3.967 1.00 1.32 H new ATOM 0 HB3 LYS A 4 36.123 -14.210 4.002 1.00 1.32 H new ATOM 0 HG2 LYS A 4 36.873 -17.158 4.096 1.00 54.50 H new ATOM 0 HG3 LYS A 4 36.316 -16.190 5.447 1.00 54.50 H new ATOM 0 HD2 LYS A 4 34.701 -16.815 2.936 1.00 71.43 H new ATOM 0 HD3 LYS A 4 34.501 -17.597 4.492 1.00 71.43 H new ATOM 0 HE2 LYS A 4 33.891 -15.398 5.510 1.00 42.23 H new ATOM 0 HE3 LYS A 4 34.074 -14.629 3.946 1.00 42.23 H new ATOM 0 HZ1 LYS A 4 31.768 -15.151 4.401 1.00 2.11 H new ATOM 0 HZ2 LYS A 4 32.314 -16.053 3.070 1.00 2.11 H new ATOM 0 HZ3 LYS A 4 32.137 -16.798 4.586 1.00 2.11 H new ATOM 71 N SER A 5 36.584 -13.430 0.376 1.00 73.44 N ATOM 72 CA SER A 5 36.945 -12.168 -0.284 1.00 0.14 C ATOM 73 C SER A 5 36.343 -10.972 0.462 1.00 71.11 C ATOM 74 O SER A 5 35.120 -10.851 0.580 1.00 33.53 O ATOM 75 CB SER A 5 36.474 -12.160 -1.746 1.00 41.03 C ATOM 76 OG SER A 5 36.822 -10.944 -2.393 1.00 42.11 O ATOM 0 H SER A 5 35.877 -13.976 -0.116 1.00 73.44 H new ATOM 0 HA SER A 5 38.032 -12.084 -0.266 1.00 0.14 H new ATOM 0 HB2 SER A 5 36.921 -12.999 -2.279 1.00 41.03 H new ATOM 0 HB3 SER A 5 35.393 -12.298 -1.783 1.00 41.03 H new ATOM 0 HG SER A 5 36.512 -10.967 -3.322 1.00 42.11 H new ATOM 82 N SER A 6 37.203 -10.097 0.973 1.00 63.54 N ATOM 83 CA SER A 6 36.752 -8.937 1.752 1.00 30.45 C ATOM 84 C SER A 6 37.796 -7.810 1.752 1.00 33.44 C ATOM 85 O SER A 6 38.854 -7.927 2.371 1.00 24.33 O ATOM 86 CB SER A 6 36.449 -9.355 3.199 1.00 54.03 C ATOM 87 OG SER A 6 37.606 -9.875 3.845 1.00 73.24 O ATOM 0 H SER A 6 38.215 -10.164 0.865 1.00 63.54 H new ATOM 0 HA SER A 6 35.845 -8.560 1.280 1.00 30.45 H new ATOM 0 HB2 SER A 6 36.075 -8.496 3.756 1.00 54.03 H new ATOM 0 HB3 SER A 6 35.660 -10.107 3.204 1.00 54.03 H new ATOM 0 HG SER A 6 38.403 -9.411 3.512 1.00 73.24 H new ATOM 93 N SER A 7 37.503 -6.723 1.044 1.00 71.15 N ATOM 94 CA SER A 7 38.370 -5.529 1.051 1.00 0.34 C ATOM 95 C SER A 7 37.556 -4.228 0.924 1.00 63.33 C ATOM 96 O SER A 7 37.847 -3.385 0.073 1.00 63.20 O ATOM 97 CB SER A 7 39.404 -5.615 -0.084 1.00 50.41 C ATOM 98 OG SER A 7 40.287 -6.713 0.103 1.00 1.33 O ATOM 0 H SER A 7 36.674 -6.636 0.456 1.00 71.15 H new ATOM 0 HA SER A 7 38.886 -5.505 2.011 1.00 0.34 H new ATOM 0 HB2 SER A 7 38.890 -5.718 -1.040 1.00 50.41 H new ATOM 0 HB3 SER A 7 39.977 -4.689 -0.128 1.00 50.41 H new ATOM 0 HG SER A 7 40.932 -6.743 -0.634 1.00 1.33 H new ATOM 104 N PRO A 8 36.536 -4.024 1.785 1.00 0.30 N ATOM 105 CA PRO A 8 35.708 -2.817 1.741 1.00 35.42 C ATOM 106 C PRO A 8 36.372 -1.627 2.455 1.00 74.20 C ATOM 107 O PRO A 8 36.090 -1.350 3.625 1.00 44.54 O ATOM 108 CB PRO A 8 34.432 -3.259 2.463 1.00 32.04 C ATOM 109 CG PRO A 8 34.904 -4.252 3.476 1.00 12.14 C ATOM 110 CD PRO A 8 36.112 -4.936 2.875 1.00 63.02 C ATOM 0 HA PRO A 8 35.536 -2.460 0.726 1.00 35.42 H new ATOM 0 HB2 PRO A 8 33.931 -2.415 2.937 1.00 32.04 H new ATOM 0 HB3 PRO A 8 33.718 -3.706 1.771 1.00 32.04 H new ATOM 0 HG2 PRO A 8 35.164 -3.758 4.412 1.00 12.14 H new ATOM 0 HG3 PRO A 8 34.122 -4.976 3.704 1.00 12.14 H new ATOM 0 HD2 PRO A 8 36.903 -5.070 3.613 1.00 63.02 H new ATOM 0 HD3 PRO A 8 35.861 -5.925 2.493 1.00 63.02 H new ATOM 118 N GLN A 9 37.270 -0.941 1.754 1.00 10.54 N ATOM 119 CA GLN A 9 37.997 0.201 2.321 1.00 22.43 C ATOM 120 C GLN A 9 37.139 1.480 2.290 1.00 20.40 C ATOM 121 O GLN A 9 36.814 1.994 1.218 1.00 73.43 O ATOM 122 CB GLN A 9 39.310 0.414 1.553 1.00 11.22 C ATOM 123 CG GLN A 9 40.116 1.622 2.020 1.00 23.14 C ATOM 124 CD GLN A 9 41.437 1.769 1.280 1.00 35.01 C ATOM 125 OE1 GLN A 9 41.567 1.369 0.125 1.00 30.25 O ATOM 126 NE2 GLN A 9 42.423 2.346 1.935 1.00 15.34 N ATOM 0 H GLN A 9 37.516 -1.154 0.787 1.00 10.54 H new ATOM 0 HA GLN A 9 38.224 -0.019 3.364 1.00 22.43 H new ATOM 0 HB2 GLN A 9 39.925 -0.480 1.652 1.00 11.22 H new ATOM 0 HB3 GLN A 9 39.084 0.529 0.493 1.00 11.22 H new ATOM 0 HG2 GLN A 9 39.523 2.526 1.879 1.00 23.14 H new ATOM 0 HG3 GLN A 9 40.311 1.532 3.089 1.00 23.14 H new ATOM 0 HE21 GLN A 9 42.280 2.666 2.893 1.00 15.34 H new ATOM 0 HE22 GLN A 9 43.329 2.473 1.484 1.00 15.34 H new ATOM 135 N PRO A 10 36.749 2.006 3.468 1.00 52.30 N ATOM 136 CA PRO A 10 35.931 3.226 3.555 1.00 75.24 C ATOM 137 C PRO A 10 36.740 4.503 3.263 1.00 45.24 C ATOM 138 O PRO A 10 37.962 4.531 3.419 1.00 52.23 O ATOM 139 CB PRO A 10 35.440 3.206 5.009 1.00 12.12 C ATOM 140 CG PRO A 10 36.514 2.490 5.755 1.00 63.21 C ATOM 141 CD PRO A 10 37.071 1.460 4.803 1.00 22.00 C ATOM 0 HA PRO A 10 35.128 3.239 2.818 1.00 75.24 H new ATOM 0 HB2 PRO A 10 35.295 4.216 5.393 1.00 12.12 H new ATOM 0 HB3 PRO A 10 34.484 2.691 5.098 1.00 12.12 H new ATOM 0 HG2 PRO A 10 37.291 3.182 6.078 1.00 63.21 H new ATOM 0 HG3 PRO A 10 36.116 2.016 6.652 1.00 63.21 H new ATOM 0 HD2 PRO A 10 38.145 1.333 4.935 1.00 22.00 H new ATOM 0 HD3 PRO A 10 36.613 0.483 4.957 1.00 22.00 H new ATOM 149 N ALA A 11 36.052 5.554 2.829 1.00 24.02 N ATOM 150 CA ALA A 11 36.697 6.841 2.558 1.00 63.33 C ATOM 151 C ALA A 11 36.464 7.826 3.714 1.00 74.04 C ATOM 152 O ALA A 11 35.878 7.472 4.737 1.00 61.00 O ATOM 153 CB ALA A 11 36.169 7.420 1.247 1.00 53.12 C ATOM 0 H ALA A 11 35.047 5.543 2.656 1.00 24.02 H new ATOM 0 HA ALA A 11 37.771 6.679 2.468 1.00 63.33 H new ATOM 0 HB1 ALA A 11 36.652 8.377 1.051 1.00 53.12 H new ATOM 0 HB2 ALA A 11 36.386 6.730 0.431 1.00 53.12 H new ATOM 0 HB3 ALA A 11 35.091 7.566 1.322 1.00 53.12 H new ATOM 159 N ALA A 12 36.926 9.065 3.545 1.00 33.10 N ATOM 160 CA ALA A 12 36.699 10.123 4.542 1.00 41.33 C ATOM 161 C ALA A 12 35.298 10.741 4.400 1.00 14.23 C ATOM 162 O ALA A 12 34.951 11.701 5.090 1.00 21.33 O ATOM 163 CB ALA A 12 37.775 11.201 4.415 1.00 44.30 C ATOM 0 H ALA A 12 37.460 9.365 2.729 1.00 33.10 H new ATOM 0 HA ALA A 12 36.760 9.672 5.533 1.00 41.33 H new ATOM 0 HB1 ALA A 12 37.599 11.980 5.157 1.00 44.30 H new ATOM 0 HB2 ALA A 12 38.756 10.757 4.581 1.00 44.30 H new ATOM 0 HB3 ALA A 12 37.738 11.636 3.416 1.00 44.30 H new ATOM 169 N GLN A 13 34.493 10.173 3.502 1.00 4.41 N ATOM 170 CA GLN A 13 33.150 10.688 3.218 1.00 11.23 C ATOM 171 C GLN A 13 32.065 9.825 3.878 1.00 54.01 C ATOM 172 O GLN A 13 32.154 8.596 3.889 1.00 21.44 O ATOM 173 CB GLN A 13 32.923 10.736 1.702 1.00 30.02 C ATOM 174 CG GLN A 13 33.969 11.547 0.945 1.00 32.41 C ATOM 175 CD GLN A 13 34.025 13.002 1.384 1.00 35.42 C ATOM 176 OE1 GLN A 13 34.780 13.375 2.282 1.00 33.51 O ATOM 177 NE2 GLN A 13 33.216 13.836 0.764 1.00 62.42 N ATOM 0 H GLN A 13 34.748 9.351 2.955 1.00 4.41 H new ATOM 0 HA GLN A 13 33.080 11.693 3.634 1.00 11.23 H new ATOM 0 HB2 GLN A 13 32.916 9.718 1.313 1.00 30.02 H new ATOM 0 HB3 GLN A 13 31.938 11.159 1.505 1.00 30.02 H new ATOM 0 HG2 GLN A 13 34.949 11.092 1.090 1.00 32.41 H new ATOM 0 HG3 GLN A 13 33.752 11.503 -0.122 1.00 32.41 H new ATOM 0 HE21 GLN A 13 32.602 13.496 0.024 1.00 62.42 H new ATOM 0 HE22 GLN A 13 33.203 14.822 1.024 1.00 62.42 H new ATOM 186 N ALA A 14 31.041 10.479 4.419 1.00 33.24 N ATOM 187 CA ALA A 14 29.929 9.782 5.074 1.00 50.00 C ATOM 188 C ALA A 14 28.829 9.403 4.067 1.00 51.23 C ATOM 189 O ALA A 14 28.606 10.116 3.084 1.00 2.54 O ATOM 190 CB ALA A 14 29.350 10.658 6.182 1.00 71.51 C ATOM 0 H ALA A 14 30.955 11.495 4.418 1.00 33.24 H new ATOM 0 HA ALA A 14 30.316 8.859 5.506 1.00 50.00 H new ATOM 0 HB1 ALA A 14 28.524 10.135 6.665 1.00 71.51 H new ATOM 0 HB2 ALA A 14 30.124 10.872 6.919 1.00 71.51 H new ATOM 0 HB3 ALA A 14 28.987 11.593 5.755 1.00 71.51 H new ATOM 196 N PRO A 15 28.129 8.271 4.294 1.00 1.10 N ATOM 197 CA PRO A 15 27.030 7.821 3.414 1.00 65.14 C ATOM 198 C PRO A 15 25.859 8.821 3.333 1.00 73.54 C ATOM 199 O PRO A 15 25.763 9.760 4.130 1.00 54.42 O ATOM 200 CB PRO A 15 26.563 6.506 4.063 1.00 53.02 C ATOM 201 CG PRO A 15 27.705 6.066 4.917 1.00 24.32 C ATOM 202 CD PRO A 15 28.355 7.331 5.406 1.00 2.14 C ATOM 0 HA PRO A 15 27.371 7.716 2.384 1.00 65.14 H new ATOM 0 HB2 PRO A 15 25.662 6.658 4.657 1.00 53.02 H new ATOM 0 HB3 PRO A 15 26.324 5.757 3.308 1.00 53.02 H new ATOM 0 HG2 PRO A 15 27.358 5.456 5.751 1.00 24.32 H new ATOM 0 HG3 PRO A 15 28.409 5.458 4.348 1.00 24.32 H new ATOM 0 HD2 PRO A 15 27.903 7.685 6.332 1.00 2.14 H new ATOM 0 HD3 PRO A 15 29.417 7.188 5.604 1.00 2.14 H new ATOM 210 N GLU A 16 24.961 8.592 2.371 1.00 42.12 N ATOM 211 CA GLU A 16 23.796 9.464 2.155 1.00 75.12 C ATOM 212 C GLU A 16 22.867 9.502 3.385 1.00 45.53 C ATOM 213 O GLU A 16 22.863 8.581 4.206 1.00 32.40 O ATOM 214 CB GLU A 16 23.011 8.988 0.918 1.00 42.30 C ATOM 215 CG GLU A 16 21.847 9.897 0.521 1.00 3.40 C ATOM 216 CD GLU A 16 22.298 11.289 0.101 1.00 62.24 C ATOM 217 OE1 GLU A 16 22.586 12.124 0.983 1.00 12.31 O ATOM 218 OE2 GLU A 16 22.371 11.553 -1.119 1.00 61.22 O ATOM 0 H GLU A 16 25.017 7.806 1.724 1.00 42.12 H new ATOM 0 HA GLU A 16 24.166 10.476 1.992 1.00 75.12 H new ATOM 0 HB2 GLU A 16 23.698 8.908 0.075 1.00 42.30 H new ATOM 0 HB3 GLU A 16 22.625 7.987 1.111 1.00 42.30 H new ATOM 0 HG2 GLU A 16 21.296 9.436 -0.299 1.00 3.40 H new ATOM 0 HG3 GLU A 16 21.157 9.982 1.360 1.00 3.40 H new ATOM 225 N THR A 17 22.082 10.574 3.504 1.00 41.13 N ATOM 226 CA THR A 17 21.137 10.735 4.623 1.00 73.43 C ATOM 227 C THR A 17 20.052 9.644 4.618 1.00 21.14 C ATOM 228 O THR A 17 19.748 9.050 3.580 1.00 34.23 O ATOM 229 CB THR A 17 20.456 12.128 4.601 1.00 53.20 C ATOM 230 OG1 THR A 17 19.595 12.277 5.744 1.00 13.42 O ATOM 231 CG2 THR A 17 19.654 12.334 3.319 1.00 1.54 C ATOM 0 H THR A 17 22.078 11.348 2.840 1.00 41.13 H new ATOM 0 HA THR A 17 21.727 10.641 5.535 1.00 73.43 H new ATOM 0 HB THR A 17 21.241 12.884 4.637 1.00 53.20 H new ATOM 0 HG1 THR A 17 19.171 13.160 5.721 1.00 13.42 H new ATOM 0 HG21 THR A 17 19.189 13.320 3.335 1.00 1.54 H new ATOM 0 HG22 THR A 17 20.319 12.260 2.458 1.00 1.54 H new ATOM 0 HG23 THR A 17 18.880 11.569 3.247 1.00 1.54 H new ATOM 239 N LYS A 18 19.464 9.385 5.783 1.00 24.21 N ATOM 240 CA LYS A 18 18.473 8.312 5.927 1.00 72.12 C ATOM 241 C LYS A 18 17.092 8.859 6.325 1.00 10.31 C ATOM 242 O LYS A 18 16.951 9.531 7.345 1.00 61.20 O ATOM 243 CB LYS A 18 18.952 7.295 6.974 1.00 14.51 C ATOM 244 CG LYS A 18 18.024 6.092 7.140 1.00 50.32 C ATOM 245 CD LYS A 18 18.540 5.113 8.194 1.00 64.14 C ATOM 246 CE LYS A 18 17.634 3.890 8.323 1.00 20.33 C ATOM 247 NZ LYS A 18 17.560 3.113 7.053 1.00 43.22 N ATOM 0 H LYS A 18 19.653 9.900 6.643 1.00 24.21 H new ATOM 0 HA LYS A 18 18.371 7.823 4.958 1.00 72.12 H new ATOM 0 HB2 LYS A 18 19.944 6.940 6.694 1.00 14.51 H new ATOM 0 HB3 LYS A 18 19.053 7.799 7.935 1.00 14.51 H new ATOM 0 HG2 LYS A 18 17.029 6.437 7.422 1.00 50.32 H new ATOM 0 HG3 LYS A 18 17.924 5.577 6.185 1.00 50.32 H new ATOM 0 HD2 LYS A 18 19.548 4.793 7.930 1.00 64.14 H new ATOM 0 HD3 LYS A 18 18.608 5.618 9.157 1.00 64.14 H new ATOM 0 HE2 LYS A 18 18.005 3.246 9.121 1.00 20.33 H new ATOM 0 HE3 LYS A 18 16.633 4.210 8.611 1.00 20.33 H new ATOM 0 HZ1 LYS A 18 17.108 2.194 7.234 1.00 43.22 H new ATOM 0 HZ2 LYS A 18 17.000 3.642 6.354 1.00 43.22 H new ATOM 0 HZ3 LYS A 18 18.520 2.960 6.683 1.00 43.22 H new ATOM 261 N GLN A 19 16.075 8.572 5.514 1.00 4.30 N ATOM 262 CA GLN A 19 14.693 8.959 5.837 1.00 75.05 C ATOM 263 C GLN A 19 13.971 7.831 6.592 1.00 71.41 C ATOM 264 O GLN A 19 14.199 6.645 6.329 1.00 63.13 O ATOM 265 CB GLN A 19 13.916 9.317 4.560 1.00 61.21 C ATOM 266 CG GLN A 19 14.536 10.446 3.741 1.00 63.01 C ATOM 267 CD GLN A 19 14.731 11.728 4.538 1.00 12.11 C ATOM 268 OE1 GLN A 19 13.853 12.583 4.597 1.00 61.14 O ATOM 269 NE2 GLN A 19 15.889 11.872 5.149 1.00 24.20 N ATOM 0 H GLN A 19 16.176 8.074 4.629 1.00 4.30 H new ATOM 0 HA GLN A 19 14.734 9.838 6.480 1.00 75.05 H new ATOM 0 HB2 GLN A 19 13.842 8.428 3.933 1.00 61.21 H new ATOM 0 HB3 GLN A 19 12.900 9.599 4.835 1.00 61.21 H new ATOM 0 HG2 GLN A 19 15.500 10.117 3.352 1.00 63.01 H new ATOM 0 HG3 GLN A 19 13.900 10.654 2.881 1.00 63.01 H new ATOM 0 HE21 GLN A 19 16.597 11.141 5.079 1.00 24.20 H new ATOM 0 HE22 GLN A 19 16.078 12.714 5.692 1.00 24.20 H new ATOM 278 N ALA A 20 13.103 8.198 7.532 1.00 3.14 N ATOM 279 CA ALA A 20 12.400 7.217 8.365 1.00 73.12 C ATOM 280 C ALA A 20 10.964 6.954 7.877 1.00 44.41 C ATOM 281 O ALA A 20 10.245 7.876 7.495 1.00 33.32 O ATOM 282 CB ALA A 20 12.379 7.691 9.813 1.00 41.01 C ATOM 0 H ALA A 20 12.867 9.169 7.738 1.00 3.14 H new ATOM 0 HA ALA A 20 12.944 6.275 8.289 1.00 73.12 H new ATOM 0 HB1 ALA A 20 11.856 6.959 10.428 1.00 41.01 H new ATOM 0 HB2 ALA A 20 13.401 7.804 10.174 1.00 41.01 H new ATOM 0 HB3 ALA A 20 11.865 8.650 9.874 1.00 41.01 H new ATOM 288 N PHE A 21 10.556 5.685 7.901 1.00 73.34 N ATOM 289 CA PHE A 21 9.189 5.290 7.524 1.00 52.20 C ATOM 290 C PHE A 21 8.224 5.408 8.722 1.00 31.52 C ATOM 291 O PHE A 21 8.334 4.647 9.688 1.00 41.24 O ATOM 292 CB PHE A 21 9.182 3.837 7.018 1.00 42.44 C ATOM 293 CG PHE A 21 9.930 3.615 5.728 1.00 2.53 C ATOM 294 CD1 PHE A 21 9.423 4.085 4.526 1.00 44.43 C ATOM 295 CD2 PHE A 21 11.134 2.921 5.716 1.00 4.02 C ATOM 296 CE1 PHE A 21 10.100 3.872 3.342 1.00 71.43 C ATOM 297 CE2 PHE A 21 11.815 2.708 4.534 1.00 14.30 C ATOM 298 CZ PHE A 21 11.296 3.182 3.344 1.00 33.42 C ATOM 0 H PHE A 21 11.153 4.906 8.178 1.00 73.34 H new ATOM 0 HA PHE A 21 8.854 5.963 6.734 1.00 52.20 H new ATOM 0 HB2 PHE A 21 9.614 3.197 7.787 1.00 42.44 H new ATOM 0 HB3 PHE A 21 8.148 3.519 6.882 1.00 42.44 H new ATOM 0 HD1 PHE A 21 8.487 4.624 4.516 1.00 44.43 H new ATOM 0 HD2 PHE A 21 11.542 2.544 6.642 1.00 4.02 H new ATOM 0 HE1 PHE A 21 9.694 4.245 2.413 1.00 71.43 H new ATOM 0 HE2 PHE A 21 12.752 2.172 4.539 1.00 14.30 H new ATOM 0 HZ PHE A 21 11.825 3.013 2.418 1.00 33.42 H new ATOM 308 N PRO A 22 7.264 6.359 8.689 1.00 23.31 N ATOM 309 CA PRO A 22 6.256 6.478 9.751 1.00 34.03 C ATOM 310 C PRO A 22 5.159 5.405 9.621 1.00 25.00 C ATOM 311 O PRO A 22 4.208 5.553 8.853 1.00 2.12 O ATOM 312 CB PRO A 22 5.690 7.889 9.531 1.00 72.14 C ATOM 313 CG PRO A 22 5.851 8.137 8.065 1.00 11.23 C ATOM 314 CD PRO A 22 7.094 7.387 7.640 1.00 62.11 C ATOM 0 HA PRO A 22 6.670 6.330 10.748 1.00 34.03 H new ATOM 0 HB2 PRO A 22 4.643 7.947 9.830 1.00 72.14 H new ATOM 0 HB3 PRO A 22 6.231 8.629 10.120 1.00 72.14 H new ATOM 0 HG2 PRO A 22 4.978 7.787 7.514 1.00 11.23 H new ATOM 0 HG3 PRO A 22 5.951 9.203 7.860 1.00 11.23 H new ATOM 0 HD2 PRO A 22 6.972 6.937 6.655 1.00 62.11 H new ATOM 0 HD3 PRO A 22 7.959 8.047 7.583 1.00 62.11 H new ATOM 322 N ARG A 23 5.289 4.326 10.394 1.00 30.31 N ATOM 323 CA ARG A 23 4.393 3.173 10.250 1.00 35.10 C ATOM 324 C ARG A 23 3.004 3.436 10.856 1.00 21.13 C ATOM 325 O ARG A 23 1.997 2.971 10.330 1.00 52.25 O ATOM 326 CB ARG A 23 5.013 1.912 10.879 1.00 11.44 C ATOM 327 CG ARG A 23 5.076 1.928 12.408 1.00 24.24 C ATOM 328 CD ARG A 23 5.697 0.647 12.965 1.00 42.13 C ATOM 329 NE ARG A 23 5.460 0.496 14.403 1.00 20.11 N ATOM 330 CZ ARG A 23 6.325 0.802 15.338 1.00 75.55 C ATOM 331 NH1 ARG A 23 7.478 1.309 15.036 1.00 15.12 N ATOM 332 NH2 ARG A 23 6.035 0.597 16.578 1.00 4.54 N ATOM 0 H ARG A 23 5.998 4.224 11.120 1.00 30.31 H new ATOM 0 HA ARG A 23 4.262 3.009 9.180 1.00 35.10 H new ATOM 0 HB2 ARG A 23 4.437 1.043 10.561 1.00 11.44 H new ATOM 0 HB3 ARG A 23 6.023 1.786 10.488 1.00 11.44 H new ATOM 0 HG2 ARG A 23 5.659 2.788 12.739 1.00 24.24 H new ATOM 0 HG3 ARG A 23 4.071 2.050 12.812 1.00 24.24 H new ATOM 0 HD2 ARG A 23 5.284 -0.213 12.438 1.00 42.13 H new ATOM 0 HD3 ARG A 23 6.770 0.653 12.774 1.00 42.13 H new ATOM 0 HE ARG A 23 4.556 0.126 14.697 1.00 20.11 H new ATOM 0 HH11 ARG A 23 7.722 1.475 14.060 1.00 15.12 H new ATOM 0 HH12 ARG A 23 8.142 1.542 15.775 1.00 15.12 H new ATOM 0 HH21 ARG A 23 5.132 0.196 16.831 1.00 4.54 H new ATOM 0 HH22 ARG A 23 6.709 0.835 17.306 1.00 4.54 H new ATOM 346 N LYS A 24 2.948 4.207 11.942 1.00 62.14 N ATOM 347 CA LYS A 24 1.690 4.415 12.673 1.00 71.53 C ATOM 348 C LYS A 24 0.671 5.221 11.847 1.00 74.43 C ATOM 349 O LYS A 24 -0.532 5.143 12.088 1.00 24.42 O ATOM 350 CB LYS A 24 1.958 5.094 14.026 1.00 64.22 C ATOM 351 CG LYS A 24 2.923 4.310 14.916 1.00 22.14 C ATOM 352 CD LYS A 24 2.991 4.848 16.350 1.00 40.30 C ATOM 353 CE LYS A 24 3.592 6.253 16.437 1.00 40.01 C ATOM 354 NZ LYS A 24 2.641 7.318 16.011 1.00 61.43 N ATOM 0 H LYS A 24 3.751 4.697 12.336 1.00 62.14 H new ATOM 0 HA LYS A 24 1.251 3.434 12.856 1.00 71.53 H new ATOM 0 HB2 LYS A 24 2.364 6.090 13.851 1.00 64.22 H new ATOM 0 HB3 LYS A 24 1.013 5.224 14.553 1.00 64.22 H new ATOM 0 HG2 LYS A 24 2.617 3.264 14.941 1.00 22.14 H new ATOM 0 HG3 LYS A 24 3.920 4.340 14.476 1.00 22.14 H new ATOM 0 HD2 LYS A 24 1.987 4.862 16.774 1.00 40.30 H new ATOM 0 HD3 LYS A 24 3.585 4.167 16.959 1.00 40.30 H new ATOM 0 HE2 LYS A 24 3.908 6.444 17.462 1.00 40.01 H new ATOM 0 HE3 LYS A 24 4.485 6.300 15.814 1.00 40.01 H new ATOM 0 HZ1 LYS A 24 2.946 7.711 15.098 1.00 61.43 H new ATOM 0 HZ2 LYS A 24 1.688 6.913 15.912 1.00 61.43 H new ATOM 0 HZ3 LYS A 24 2.624 8.074 16.725 1.00 61.43 H new ATOM 368 N PHE A 25 1.155 6.004 10.886 1.00 74.14 N ATOM 369 CA PHE A 25 0.271 6.714 9.949 1.00 73.33 C ATOM 370 C PHE A 25 -0.012 5.875 8.692 1.00 72.31 C ATOM 371 O PHE A 25 -1.167 5.713 8.293 1.00 24.41 O ATOM 372 CB PHE A 25 0.871 8.068 9.552 1.00 23.24 C ATOM 373 CG PHE A 25 0.863 9.088 10.665 1.00 34.53 C ATOM 374 CD1 PHE A 25 -0.305 9.769 10.987 1.00 42.41 C ATOM 375 CD2 PHE A 25 2.014 9.368 11.389 1.00 34.33 C ATOM 376 CE1 PHE A 25 -0.324 10.703 12.004 1.00 70.52 C ATOM 377 CE2 PHE A 25 1.998 10.304 12.407 1.00 50.11 C ATOM 378 CZ PHE A 25 0.828 10.972 12.715 1.00 35.13 C ATOM 0 H PHE A 25 2.150 6.166 10.731 1.00 74.14 H new ATOM 0 HA PHE A 25 -0.675 6.884 10.463 1.00 73.33 H new ATOM 0 HB2 PHE A 25 1.898 7.916 9.218 1.00 23.24 H new ATOM 0 HB3 PHE A 25 0.315 8.466 8.703 1.00 23.24 H new ATOM 0 HD1 PHE A 25 -1.210 9.565 10.434 1.00 42.41 H new ATOM 0 HD2 PHE A 25 2.932 8.849 11.155 1.00 34.33 H new ATOM 0 HE1 PHE A 25 -1.240 11.223 12.243 1.00 70.52 H new ATOM 0 HE2 PHE A 25 2.901 10.513 12.962 1.00 50.11 H new ATOM 0 HZ PHE A 25 0.815 11.703 13.510 1.00 35.13 H new ATOM 388 N VAL A 26 1.041 5.346 8.069 1.00 71.13 N ATOM 389 CA VAL A 26 0.889 4.534 6.854 1.00 12.13 C ATOM 390 C VAL A 26 -0.017 3.310 7.093 1.00 70.10 C ATOM 391 O VAL A 26 -0.964 3.071 6.341 1.00 31.32 O ATOM 392 CB VAL A 26 2.260 4.060 6.307 1.00 50.53 C ATOM 393 CG1 VAL A 26 2.073 3.203 5.058 1.00 50.23 C ATOM 394 CG2 VAL A 26 3.171 5.251 6.008 1.00 12.33 C ATOM 0 H VAL A 26 2.005 5.462 8.381 1.00 71.13 H new ATOM 0 HA VAL A 26 0.418 5.179 6.112 1.00 12.13 H new ATOM 0 HB VAL A 26 2.738 3.452 7.075 1.00 50.53 H new ATOM 0 HG11 VAL A 26 3.047 2.880 4.689 1.00 50.23 H new ATOM 0 HG12 VAL A 26 1.470 2.329 5.303 1.00 50.23 H new ATOM 0 HG13 VAL A 26 1.569 3.787 4.288 1.00 50.23 H new ATOM 0 HG21 VAL A 26 4.126 4.891 5.626 1.00 12.33 H new ATOM 0 HG22 VAL A 26 2.700 5.891 5.263 1.00 12.33 H new ATOM 0 HG23 VAL A 26 3.337 5.820 6.922 1.00 12.33 H new ATOM 404 N LEU A 27 0.271 2.548 8.148 1.00 42.33 N ATOM 405 CA LEU A 27 -0.547 1.379 8.504 1.00 23.00 C ATOM 406 C LEU A 27 -1.981 1.797 8.867 1.00 55.40 C ATOM 407 O LEU A 27 -2.938 1.100 8.539 1.00 60.12 O ATOM 408 CB LEU A 27 0.090 0.602 9.670 1.00 22.50 C ATOM 409 CG LEU A 27 1.471 -0.015 9.377 1.00 52.13 C ATOM 410 CD1 LEU A 27 2.019 -0.724 10.613 1.00 14.43 C ATOM 411 CD2 LEU A 27 1.395 -0.978 8.194 1.00 71.44 C ATOM 0 H LEU A 27 1.061 2.715 8.772 1.00 42.33 H new ATOM 0 HA LEU A 27 -0.590 0.727 7.632 1.00 23.00 H new ATOM 0 HB2 LEU A 27 0.185 1.274 10.523 1.00 22.50 H new ATOM 0 HB3 LEU A 27 -0.590 -0.196 9.967 1.00 22.50 H new ATOM 0 HG LEU A 27 2.154 0.793 9.115 1.00 52.13 H new ATOM 0 HD11 LEU A 27 2.995 -1.152 10.384 1.00 14.43 H new ATOM 0 HD12 LEU A 27 2.119 -0.008 11.429 1.00 14.43 H new ATOM 0 HD13 LEU A 27 1.335 -1.519 10.910 1.00 14.43 H new ATOM 0 HD21 LEU A 27 2.382 -1.401 8.006 1.00 71.44 H new ATOM 0 HD22 LEU A 27 0.693 -1.780 8.422 1.00 71.44 H new ATOM 0 HD23 LEU A 27 1.056 -0.441 7.309 1.00 71.44 H new ATOM 423 N ALA A 28 -2.118 2.948 9.529 1.00 31.02 N ATOM 424 CA ALA A 28 -3.438 3.492 9.881 1.00 12.04 C ATOM 425 C ALA A 28 -4.281 3.776 8.628 1.00 23.05 C ATOM 426 O ALA A 28 -5.496 3.569 8.619 1.00 2.42 O ATOM 427 CB ALA A 28 -3.281 4.762 10.710 1.00 4.45 C ATOM 0 H ALA A 28 -1.333 3.524 9.834 1.00 31.02 H new ATOM 0 HA ALA A 28 -3.962 2.742 10.473 1.00 12.04 H new ATOM 0 HB1 ALA A 28 -4.266 5.155 10.964 1.00 4.45 H new ATOM 0 HB2 ALA A 28 -2.734 4.534 11.625 1.00 4.45 H new ATOM 0 HB3 ALA A 28 -2.731 5.506 10.134 1.00 4.45 H new ATOM 433 N ALA A 29 -3.631 4.261 7.576 1.00 31.13 N ATOM 434 CA ALA A 29 -4.296 4.465 6.287 1.00 54.50 C ATOM 435 C ALA A 29 -4.628 3.121 5.628 1.00 60.52 C ATOM 436 O ALA A 29 -5.706 2.936 5.058 1.00 23.14 O ATOM 437 CB ALA A 29 -3.415 5.305 5.370 1.00 74.32 C ATOM 0 H ALA A 29 -2.645 4.521 7.587 1.00 31.13 H new ATOM 0 HA ALA A 29 -5.231 4.998 6.461 1.00 54.50 H new ATOM 0 HB1 ALA A 29 -3.919 5.451 4.415 1.00 74.32 H new ATOM 0 HB2 ALA A 29 -3.228 6.274 5.833 1.00 74.32 H new ATOM 0 HB3 ALA A 29 -2.467 4.792 5.206 1.00 74.32 H new ATOM 443 N LEU A 30 -3.692 2.184 5.735 1.00 35.54 N ATOM 444 CA LEU A 30 -3.843 0.841 5.172 1.00 2.20 C ATOM 445 C LEU A 30 -5.063 0.111 5.767 1.00 21.25 C ATOM 446 O LEU A 30 -5.940 -0.348 5.031 1.00 55.14 O ATOM 447 CB LEU A 30 -2.553 0.046 5.424 1.00 23.41 C ATOM 448 CG LEU A 30 -2.488 -1.357 4.805 1.00 33.32 C ATOM 449 CD1 LEU A 30 -2.714 -1.304 3.295 1.00 64.11 C ATOM 450 CD2 LEU A 30 -1.143 -2.006 5.122 1.00 64.53 C ATOM 0 H LEU A 30 -2.804 2.332 6.215 1.00 35.54 H new ATOM 0 HA LEU A 30 -4.017 0.926 4.099 1.00 2.20 H new ATOM 0 HB2 LEU A 30 -1.713 0.627 5.044 1.00 23.41 H new ATOM 0 HB3 LEU A 30 -2.414 -0.048 6.501 1.00 23.41 H new ATOM 0 HG LEU A 30 -3.284 -1.961 5.240 1.00 33.32 H new ATOM 0 HD11 LEU A 30 -2.662 -2.312 2.884 1.00 64.11 H new ATOM 0 HD12 LEU A 30 -3.696 -0.878 3.089 1.00 64.11 H new ATOM 0 HD13 LEU A 30 -1.945 -0.684 2.834 1.00 64.11 H new ATOM 0 HD21 LEU A 30 -1.106 -3.001 4.679 1.00 64.53 H new ATOM 0 HD22 LEU A 30 -0.339 -1.396 4.711 1.00 64.53 H new ATOM 0 HD23 LEU A 30 -1.023 -2.085 6.202 1.00 64.53 H new ATOM 462 N GLU A 31 -5.129 0.024 7.098 1.00 21.13 N ATOM 463 CA GLU A 31 -6.245 -0.649 7.782 1.00 53.25 C ATOM 464 C GLU A 31 -7.597 0.016 7.464 1.00 0.11 C ATOM 465 O GLU A 31 -8.610 -0.665 7.301 1.00 10.33 O ATOM 466 CB GLU A 31 -6.012 -0.666 9.303 1.00 22.24 C ATOM 467 CG GLU A 31 -5.842 0.717 9.917 1.00 5.33 C ATOM 468 CD GLU A 31 -5.686 0.679 11.427 1.00 53.24 C ATOM 469 OE1 GLU A 31 -4.589 0.332 11.913 1.00 61.51 O ATOM 470 OE2 GLU A 31 -6.663 0.998 12.139 1.00 65.03 O ATOM 0 H GLU A 31 -4.425 0.410 7.727 1.00 21.13 H new ATOM 0 HA GLU A 31 -6.282 -1.674 7.412 1.00 53.25 H new ATOM 0 HB2 GLU A 31 -6.853 -1.165 9.784 1.00 22.24 H new ATOM 0 HB3 GLU A 31 -5.124 -1.260 9.518 1.00 22.24 H new ATOM 0 HG2 GLU A 31 -4.968 1.198 9.479 1.00 5.33 H new ATOM 0 HG3 GLU A 31 -6.706 1.331 9.662 1.00 5.33 H new ATOM 477 N GLN A 32 -7.608 1.348 7.364 1.00 64.35 N ATOM 478 CA GLN A 32 -8.837 2.087 7.036 1.00 72.24 C ATOM 479 C GLN A 32 -9.192 1.974 5.543 1.00 2.43 C ATOM 480 O GLN A 32 -10.286 2.355 5.123 1.00 43.31 O ATOM 481 CB GLN A 32 -8.700 3.557 7.447 1.00 40.23 C ATOM 482 CG GLN A 32 -8.600 3.758 8.955 1.00 22.10 C ATOM 483 CD GLN A 32 -8.528 5.223 9.355 1.00 34.33 C ATOM 484 OE1 GLN A 32 -9.549 5.867 9.589 1.00 42.05 O ATOM 485 NE2 GLN A 32 -7.327 5.761 9.438 1.00 75.03 N ATOM 0 H GLN A 32 -6.787 1.937 7.504 1.00 64.35 H new ATOM 0 HA GLN A 32 -9.654 1.636 7.600 1.00 72.24 H new ATOM 0 HB2 GLN A 32 -7.814 3.978 6.972 1.00 40.23 H new ATOM 0 HB3 GLN A 32 -9.558 4.113 7.070 1.00 40.23 H new ATOM 0 HG2 GLN A 32 -9.463 3.298 9.435 1.00 22.10 H new ATOM 0 HG3 GLN A 32 -7.715 3.241 9.327 1.00 22.10 H new ATOM 0 HE21 GLN A 32 -6.501 5.198 9.237 1.00 75.03 H new ATOM 0 HE22 GLN A 32 -7.224 6.741 9.703 1.00 75.03 H new ATOM 494 N SER A 33 -8.257 1.471 4.744 1.00 34.51 N ATOM 495 CA SER A 33 -8.513 1.187 3.324 1.00 21.02 C ATOM 496 C SER A 33 -8.810 -0.307 3.109 1.00 12.02 C ATOM 497 O SER A 33 -9.312 -0.710 2.056 1.00 51.24 O ATOM 498 CB SER A 33 -7.308 1.614 2.468 1.00 30.34 C ATOM 499 OG SER A 33 -7.529 1.358 1.090 1.00 2.10 O ATOM 0 H SER A 33 -7.310 1.249 5.051 1.00 34.51 H new ATOM 0 HA SER A 33 -9.388 1.760 3.016 1.00 21.02 H new ATOM 0 HB2 SER A 33 -7.115 2.677 2.615 1.00 30.34 H new ATOM 0 HB3 SER A 33 -6.418 1.080 2.800 1.00 30.34 H new ATOM 0 HG SER A 33 -8.200 0.651 0.992 1.00 2.10 H new ATOM 505 N SER A 34 -8.514 -1.122 4.121 1.00 11.04 N ATOM 506 CA SER A 34 -8.701 -2.580 4.039 1.00 15.04 C ATOM 507 C SER A 34 -10.179 -2.974 4.121 1.00 44.31 C ATOM 508 O SER A 34 -10.949 -2.388 4.880 1.00 42.01 O ATOM 509 CB SER A 34 -7.926 -3.284 5.166 1.00 35.21 C ATOM 510 OG SER A 34 -6.532 -3.030 5.078 1.00 71.32 O ATOM 0 H SER A 34 -8.141 -0.800 5.014 1.00 11.04 H new ATOM 0 HA SER A 34 -8.316 -2.897 3.070 1.00 15.04 H new ATOM 0 HB2 SER A 34 -8.298 -2.944 6.132 1.00 35.21 H new ATOM 0 HB3 SER A 34 -8.105 -4.358 5.116 1.00 35.21 H new ATOM 0 HG SER A 34 -6.368 -2.069 5.175 1.00 71.32 H new ATOM 516 N ASP A 35 -10.569 -3.973 3.333 1.00 2.41 N ATOM 517 CA ASP A 35 -11.926 -4.527 3.397 1.00 65.32 C ATOM 518 C ASP A 35 -12.100 -5.411 4.644 1.00 30.51 C ATOM 519 O ASP A 35 -11.187 -5.526 5.464 1.00 1.03 O ATOM 520 CB ASP A 35 -12.217 -5.345 2.136 1.00 13.10 C ATOM 521 CG ASP A 35 -12.048 -4.537 0.862 1.00 42.22 C ATOM 522 OD1 ASP A 35 -12.755 -3.523 0.700 1.00 61.22 O ATOM 523 OD2 ASP A 35 -11.219 -4.923 0.011 1.00 14.22 O ATOM 0 H ASP A 35 -9.966 -4.418 2.641 1.00 2.41 H new ATOM 0 HA ASP A 35 -12.631 -3.698 3.461 1.00 65.32 H new ATOM 0 HB2 ASP A 35 -11.551 -6.207 2.106 1.00 13.10 H new ATOM 0 HB3 ASP A 35 -13.235 -5.730 2.185 1.00 13.10 H new ATOM 528 N ASP A 36 -13.266 -6.048 4.773 1.00 34.05 N ATOM 529 CA ASP A 36 -13.536 -6.955 5.899 1.00 41.21 C ATOM 530 C ASP A 36 -12.497 -8.093 5.974 1.00 75.40 C ATOM 531 O ASP A 36 -12.241 -8.647 7.045 1.00 41.24 O ATOM 532 CB ASP A 36 -14.949 -7.539 5.769 1.00 45.22 C ATOM 533 CG ASP A 36 -15.316 -8.436 6.940 1.00 74.24 C ATOM 534 OD1 ASP A 36 -15.691 -7.903 8.006 1.00 72.31 O ATOM 535 OD2 ASP A 36 -15.241 -9.676 6.799 1.00 24.14 O ATOM 0 H ASP A 36 -14.039 -5.955 4.115 1.00 34.05 H new ATOM 0 HA ASP A 36 -13.463 -6.378 6.821 1.00 41.21 H new ATOM 0 HB2 ASP A 36 -15.670 -6.725 5.699 1.00 45.22 H new ATOM 0 HB3 ASP A 36 -15.020 -8.109 4.842 1.00 45.22 H new ATOM 540 N ALA A 37 -11.899 -8.425 4.831 1.00 73.53 N ATOM 541 CA ALA A 37 -10.895 -9.496 4.751 1.00 4.11 C ATOM 542 C ALA A 37 -9.522 -9.050 5.293 1.00 65.42 C ATOM 543 O ALA A 37 -8.599 -9.856 5.404 1.00 61.12 O ATOM 544 CB ALA A 37 -10.765 -9.980 3.305 1.00 70.40 C ATOM 0 H ALA A 37 -12.091 -7.967 3.940 1.00 73.53 H new ATOM 0 HA ALA A 37 -11.237 -10.317 5.382 1.00 4.11 H new ATOM 0 HB1 ALA A 37 -10.020 -10.773 3.253 1.00 70.40 H new ATOM 0 HB2 ALA A 37 -11.726 -10.362 2.961 1.00 70.40 H new ATOM 0 HB3 ALA A 37 -10.456 -9.150 2.670 1.00 70.40 H new ATOM 550 N GLY A 38 -9.392 -7.765 5.629 1.00 52.44 N ATOM 551 CA GLY A 38 -8.125 -7.245 6.145 1.00 32.23 C ATOM 552 C GLY A 38 -7.133 -6.862 5.047 1.00 15.11 C ATOM 553 O GLY A 38 -5.984 -6.522 5.332 1.00 72.23 O ATOM 0 H GLY A 38 -10.138 -7.073 5.554 1.00 52.44 H new ATOM 0 HA2 GLY A 38 -8.325 -6.371 6.764 1.00 32.23 H new ATOM 0 HA3 GLY A 38 -7.669 -7.995 6.791 1.00 32.23 H new ATOM 557 N TRP A 39 -7.578 -6.914 3.791 1.00 54.04 N ATOM 558 CA TRP A 39 -6.732 -6.555 2.641 1.00 51.11 C ATOM 559 C TRP A 39 -7.174 -5.230 2.008 1.00 2.44 C ATOM 560 O TRP A 39 -8.368 -4.971 1.859 1.00 42.02 O ATOM 561 CB TRP A 39 -6.770 -7.664 1.583 1.00 52.55 C ATOM 562 CG TRP A 39 -6.104 -8.935 2.019 1.00 3.52 C ATOM 563 CD1 TRP A 39 -6.699 -10.022 2.594 1.00 35.41 C ATOM 564 CD2 TRP A 39 -4.710 -9.245 1.921 1.00 53.43 C ATOM 565 NE1 TRP A 39 -5.759 -10.991 2.847 1.00 54.32 N ATOM 566 CE2 TRP A 39 -4.532 -10.537 2.446 1.00 34.34 C ATOM 567 CE3 TRP A 39 -3.596 -8.555 1.437 1.00 4.54 C ATOM 568 CZ2 TRP A 39 -3.285 -11.155 2.498 1.00 33.13 C ATOM 569 CZ3 TRP A 39 -2.357 -9.168 1.492 1.00 54.41 C ATOM 570 CH2 TRP A 39 -2.212 -10.456 2.019 1.00 1.13 C ATOM 0 H TRP A 39 -8.523 -7.202 3.539 1.00 54.04 H new ATOM 0 HA TRP A 39 -5.713 -6.437 3.010 1.00 51.11 H new ATOM 0 HB2 TRP A 39 -7.809 -7.877 1.329 1.00 52.55 H new ATOM 0 HB3 TRP A 39 -6.287 -7.304 0.674 1.00 52.55 H new ATOM 0 HD1 TRP A 39 -7.752 -10.107 2.817 1.00 35.41 H new ATOM 0 HE1 TRP A 39 -5.945 -11.902 3.266 1.00 54.32 H new ATOM 0 HE3 TRP A 39 -3.700 -7.561 1.027 1.00 4.54 H new ATOM 0 HZ2 TRP A 39 -3.170 -12.150 2.902 1.00 33.13 H new ATOM 0 HZ3 TRP A 39 -1.488 -8.644 1.122 1.00 54.41 H new ATOM 0 HH2 TRP A 39 -1.231 -10.908 2.048 1.00 1.13 H new ATOM 581 N ALA A 40 -6.205 -4.397 1.639 1.00 42.22 N ATOM 582 CA ALA A 40 -6.481 -3.118 0.975 1.00 11.02 C ATOM 583 C ALA A 40 -5.925 -3.100 -0.455 1.00 25.01 C ATOM 584 O ALA A 40 -4.800 -3.536 -0.699 1.00 44.32 O ATOM 585 CB ALA A 40 -5.884 -1.967 1.779 1.00 21.25 C ATOM 0 H ALA A 40 -5.213 -4.583 1.788 1.00 42.22 H new ATOM 0 HA ALA A 40 -7.563 -2.997 0.920 1.00 11.02 H new ATOM 0 HB1 ALA A 40 -6.096 -1.024 1.276 1.00 21.25 H new ATOM 0 HB2 ALA A 40 -6.324 -1.953 2.776 1.00 21.25 H new ATOM 0 HB3 ALA A 40 -4.805 -2.101 1.860 1.00 21.25 H new ATOM 591 N ASN A 41 -6.711 -2.585 -1.396 1.00 24.40 N ATOM 592 CA ASN A 41 -6.281 -2.475 -2.793 1.00 20.15 C ATOM 593 C ASN A 41 -5.203 -1.387 -2.937 1.00 72.30 C ATOM 594 O ASN A 41 -5.405 -0.254 -2.504 1.00 34.13 O ATOM 595 CB ASN A 41 -7.497 -2.156 -3.675 1.00 64.21 C ATOM 596 CG ASN A 41 -7.195 -2.155 -5.165 1.00 43.25 C ATOM 597 OD1 ASN A 41 -6.097 -1.824 -5.602 1.00 42.53 O ATOM 598 ND2 ASN A 41 -8.176 -2.523 -5.961 1.00 13.41 N ATOM 0 H ASN A 41 -7.653 -2.235 -1.219 1.00 24.40 H new ATOM 0 HA ASN A 41 -5.848 -3.422 -3.114 1.00 20.15 H new ATOM 0 HB2 ASN A 41 -8.281 -2.886 -3.474 1.00 64.21 H new ATOM 0 HB3 ASN A 41 -7.891 -1.180 -3.394 1.00 64.21 H new ATOM 0 HD21 ASN A 41 -8.035 -2.539 -6.971 1.00 13.41 H new ATOM 0 HD22 ASN A 41 -9.078 -2.793 -5.568 1.00 13.41 H new ATOM 605 N LEU A 42 -4.066 -1.739 -3.548 1.00 71.44 N ATOM 606 CA LEU A 42 -2.940 -0.804 -3.735 1.00 23.11 C ATOM 607 C LEU A 42 -3.403 0.592 -4.204 1.00 62.34 C ATOM 608 O LEU A 42 -2.899 1.617 -3.736 1.00 70.10 O ATOM 609 CB LEU A 42 -1.945 -1.389 -4.749 1.00 55.35 C ATOM 610 CG LEU A 42 -0.746 -0.490 -5.102 1.00 74.54 C ATOM 611 CD1 LEU A 42 0.096 -0.180 -3.864 1.00 15.53 C ATOM 612 CD2 LEU A 42 0.105 -1.139 -6.187 1.00 10.22 C ATOM 0 H LEU A 42 -3.897 -2.671 -3.926 1.00 71.44 H new ATOM 0 HA LEU A 42 -2.459 -0.676 -2.765 1.00 23.11 H new ATOM 0 HB2 LEU A 42 -1.565 -2.332 -4.355 1.00 55.35 H new ATOM 0 HB3 LEU A 42 -2.484 -1.621 -5.667 1.00 55.35 H new ATOM 0 HG LEU A 42 -1.133 0.455 -5.485 1.00 74.54 H new ATOM 0 HD11 LEU A 42 0.935 0.456 -4.145 1.00 15.53 H new ATOM 0 HD12 LEU A 42 -0.519 0.335 -3.125 1.00 15.53 H new ATOM 0 HD13 LEU A 42 0.473 -1.110 -3.438 1.00 15.53 H new ATOM 0 HD21 LEU A 42 0.948 -0.490 -6.425 1.00 10.22 H new ATOM 0 HD22 LEU A 42 0.476 -2.101 -5.832 1.00 10.22 H new ATOM 0 HD23 LEU A 42 -0.499 -1.291 -7.081 1.00 10.22 H new ATOM 624 N GLY A 43 -4.369 0.621 -5.121 1.00 54.14 N ATOM 625 CA GLY A 43 -4.896 1.886 -5.629 1.00 31.13 C ATOM 626 C GLY A 43 -5.579 2.728 -4.551 1.00 12.33 C ATOM 627 O GLY A 43 -5.387 3.947 -4.479 1.00 20.35 O ATOM 0 H GLY A 43 -4.800 -0.211 -5.525 1.00 54.14 H new ATOM 0 HA2 GLY A 43 -4.081 2.461 -6.069 1.00 31.13 H new ATOM 0 HA3 GLY A 43 -5.609 1.681 -6.427 1.00 31.13 H new ATOM 631 N ASN A 44 -6.373 2.073 -3.709 1.00 31.31 N ATOM 632 CA ASN A 44 -7.089 2.754 -2.627 1.00 73.30 C ATOM 633 C ASN A 44 -6.135 3.111 -1.474 1.00 10.41 C ATOM 634 O ASN A 44 -6.276 4.158 -0.836 1.00 52.04 O ATOM 635 CB ASN A 44 -8.229 1.869 -2.113 1.00 40.51 C ATOM 636 CG ASN A 44 -9.211 1.479 -3.208 1.00 32.10 C ATOM 637 OD1 ASN A 44 -9.428 2.218 -4.163 1.00 53.12 O ATOM 638 ND2 ASN A 44 -9.813 0.314 -3.077 1.00 3.45 N ATOM 0 H ASN A 44 -6.539 1.068 -3.753 1.00 31.31 H new ATOM 0 HA ASN A 44 -7.506 3.680 -3.023 1.00 73.30 H new ATOM 0 HB2 ASN A 44 -7.810 0.966 -1.668 1.00 40.51 H new ATOM 0 HB3 ASN A 44 -8.764 2.395 -1.322 1.00 40.51 H new ATOM 0 HD21 ASN A 44 -10.482 0.003 -3.782 1.00 3.45 H new ATOM 0 HD22 ASN A 44 -9.610 -0.277 -2.271 1.00 3.45 H new ATOM 645 N PHE A 45 -5.166 2.236 -1.220 1.00 12.02 N ATOM 646 CA PHE A 45 -4.136 2.479 -0.206 1.00 70.40 C ATOM 647 C PHE A 45 -3.354 3.766 -0.501 1.00 14.01 C ATOM 648 O PHE A 45 -3.290 4.668 0.335 1.00 10.50 O ATOM 649 CB PHE A 45 -3.179 1.278 -0.132 1.00 42.55 C ATOM 650 CG PHE A 45 -1.943 1.526 0.701 1.00 64.12 C ATOM 651 CD1 PHE A 45 -2.048 1.847 2.046 1.00 24.34 C ATOM 652 CD2 PHE A 45 -0.678 1.430 0.135 1.00 41.42 C ATOM 653 CE1 PHE A 45 -0.917 2.067 2.810 1.00 1.23 C ATOM 654 CE2 PHE A 45 0.455 1.649 0.894 1.00 44.32 C ATOM 655 CZ PHE A 45 0.335 1.967 2.232 1.00 24.33 C ATOM 0 H PHE A 45 -5.070 1.344 -1.705 1.00 12.02 H new ATOM 0 HA PHE A 45 -4.631 2.604 0.757 1.00 70.40 H new ATOM 0 HB2 PHE A 45 -3.716 0.424 0.280 1.00 42.55 H new ATOM 0 HB3 PHE A 45 -2.875 1.006 -1.143 1.00 42.55 H new ATOM 0 HD1 PHE A 45 -3.024 1.926 2.502 1.00 24.34 H new ATOM 0 HD2 PHE A 45 -0.579 1.181 -0.911 1.00 41.42 H new ATOM 0 HE1 PHE A 45 -1.011 2.317 3.857 1.00 1.23 H new ATOM 0 HE2 PHE A 45 1.433 1.572 0.442 1.00 44.32 H new ATOM 0 HZ PHE A 45 1.220 2.138 2.828 1.00 24.33 H new ATOM 665 N GLY A 46 -2.768 3.847 -1.697 1.00 24.42 N ATOM 666 CA GLY A 46 -2.030 5.043 -2.096 1.00 54.12 C ATOM 667 C GLY A 46 -2.875 6.314 -2.025 1.00 1.51 C ATOM 668 O GLY A 46 -2.362 7.403 -1.765 1.00 33.22 O ATOM 0 H GLY A 46 -2.790 3.107 -2.398 1.00 24.42 H new ATOM 0 HA2 GLY A 46 -1.157 5.157 -1.453 1.00 54.12 H new ATOM 0 HA3 GLY A 46 -1.662 4.914 -3.114 1.00 54.12 H new ATOM 672 N ASN A 47 -4.178 6.162 -2.255 1.00 31.32 N ATOM 673 CA ASN A 47 -5.120 7.281 -2.182 1.00 54.14 C ATOM 674 C ASN A 47 -5.271 7.779 -0.731 1.00 40.12 C ATOM 675 O ASN A 47 -4.875 8.900 -0.403 1.00 62.31 O ATOM 676 CB ASN A 47 -6.484 6.843 -2.739 1.00 13.24 C ATOM 677 CG ASN A 47 -7.456 7.997 -2.922 1.00 53.32 C ATOM 678 OD1 ASN A 47 -7.375 9.017 -2.248 1.00 31.41 O ATOM 679 ND2 ASN A 47 -8.395 7.837 -3.827 1.00 51.11 N ATOM 0 H ASN A 47 -4.609 5.269 -2.495 1.00 31.32 H new ATOM 0 HA ASN A 47 -4.732 8.104 -2.782 1.00 54.14 H new ATOM 0 HB2 ASN A 47 -6.335 6.347 -3.698 1.00 13.24 H new ATOM 0 HB3 ASN A 47 -6.925 6.109 -2.065 1.00 13.24 H new ATOM 0 HD21 ASN A 47 -9.083 8.574 -3.984 1.00 51.11 H new ATOM 0 HD22 ASN A 47 -8.436 6.976 -4.372 1.00 51.11 H new ATOM 686 N TYR A 48 -5.823 6.926 0.138 1.00 62.15 N ATOM 687 CA TYR A 48 -6.091 7.309 1.531 1.00 60.41 C ATOM 688 C TYR A 48 -4.792 7.629 2.292 1.00 11.04 C ATOM 689 O TYR A 48 -4.792 8.428 3.231 1.00 31.10 O ATOM 690 CB TYR A 48 -6.874 6.201 2.255 1.00 64.51 C ATOM 691 CG TYR A 48 -7.471 6.640 3.581 1.00 4.25 C ATOM 692 CD1 TYR A 48 -8.532 7.540 3.619 1.00 0.12 C ATOM 693 CD2 TYR A 48 -6.980 6.157 4.786 1.00 10.14 C ATOM 694 CE1 TYR A 48 -9.080 7.943 4.819 1.00 41.33 C ATOM 695 CE2 TYR A 48 -7.528 6.557 5.990 1.00 42.43 C ATOM 696 CZ TYR A 48 -8.579 7.448 5.999 1.00 44.23 C ATOM 697 OH TYR A 48 -9.130 7.846 7.195 1.00 34.35 O ATOM 0 H TYR A 48 -6.092 5.970 -0.095 1.00 62.15 H new ATOM 0 HA TYR A 48 -6.697 8.215 1.511 1.00 60.41 H new ATOM 0 HB2 TYR A 48 -7.675 5.851 1.604 1.00 64.51 H new ATOM 0 HB3 TYR A 48 -6.211 5.354 2.428 1.00 64.51 H new ATOM 0 HD1 TYR A 48 -8.933 7.929 2.694 1.00 0.12 H new ATOM 0 HD2 TYR A 48 -6.157 5.458 4.783 1.00 10.14 H new ATOM 0 HE1 TYR A 48 -9.900 8.645 4.831 1.00 41.33 H new ATOM 0 HE2 TYR A 48 -7.134 6.173 6.919 1.00 42.43 H new ATOM 0 HH TYR A 48 -10.079 8.054 7.065 1.00 34.35 H new ATOM 707 N LEU A 49 -3.688 7.003 1.880 1.00 5.43 N ATOM 708 CA LEU A 49 -2.378 7.250 2.493 1.00 61.40 C ATOM 709 C LEU A 49 -1.962 8.722 2.362 1.00 53.05 C ATOM 710 O LEU A 49 -1.675 9.387 3.360 1.00 55.01 O ATOM 711 CB LEU A 49 -1.309 6.344 1.854 1.00 14.34 C ATOM 712 CG LEU A 49 0.130 6.563 2.354 1.00 11.43 C ATOM 713 CD1 LEU A 49 0.209 6.383 3.868 1.00 71.22 C ATOM 714 CD2 LEU A 49 1.100 5.617 1.645 1.00 75.54 C ATOM 0 H LEU A 49 -3.673 6.320 1.123 1.00 5.43 H new ATOM 0 HA LEU A 49 -2.462 7.016 3.554 1.00 61.40 H new ATOM 0 HB2 LEU A 49 -1.584 5.305 2.034 1.00 14.34 H new ATOM 0 HB3 LEU A 49 -1.327 6.496 0.775 1.00 14.34 H new ATOM 0 HG LEU A 49 0.420 7.587 2.117 1.00 11.43 H new ATOM 0 HD11 LEU A 49 1.235 6.542 4.200 1.00 71.22 H new ATOM 0 HD12 LEU A 49 -0.446 7.105 4.355 1.00 71.22 H new ATOM 0 HD13 LEU A 49 -0.105 5.373 4.131 1.00 71.22 H new ATOM 0 HD21 LEU A 49 2.111 5.789 2.014 1.00 75.54 H new ATOM 0 HD22 LEU A 49 0.812 4.585 1.844 1.00 75.54 H new ATOM 0 HD23 LEU A 49 1.069 5.802 0.571 1.00 75.54 H new ATOM 726 N ASN A 50 -1.947 9.231 1.129 1.00 32.21 N ATOM 727 CA ASN A 50 -1.517 10.612 0.866 1.00 31.34 C ATOM 728 C ASN A 50 -2.438 11.630 1.565 1.00 4.02 C ATOM 729 O ASN A 50 -2.016 12.741 1.897 1.00 14.12 O ATOM 730 CB ASN A 50 -1.467 10.881 -0.646 1.00 14.43 C ATOM 731 CG ASN A 50 -0.859 12.235 -0.969 1.00 5.41 C ATOM 732 OD1 ASN A 50 0.452 12.285 -1.077 1.00 15.24 O flip ATOM 733 ND2 ASN A 50 -1.561 13.232 -1.107 1.00 14.43 N flip ATOM 0 H ASN A 50 -2.226 8.712 0.296 1.00 32.21 H new ATOM 0 HA ASN A 50 -0.515 10.733 1.277 1.00 31.34 H new ATOM 0 HB2 ASN A 50 -0.886 10.098 -1.133 1.00 14.43 H new ATOM 0 HB3 ASN A 50 -2.476 10.831 -1.056 1.00 14.43 H new ATOM 0 HD21 ASN A 50 -2.574 13.159 -1.017 1.00 14.43 H new ATOM 0 HD22 ASN A 50 -1.131 14.134 -1.312 1.00 14.43 H new ATOM 740 N LYS A 51 -3.693 11.244 1.792 1.00 63.11 N ATOM 741 CA LYS A 51 -4.639 12.088 2.535 1.00 51.25 C ATOM 742 C LYS A 51 -4.168 12.322 3.978 1.00 62.30 C ATOM 743 O LYS A 51 -4.474 13.352 4.584 1.00 13.43 O ATOM 744 CB LYS A 51 -6.033 11.448 2.547 1.00 31.41 C ATOM 745 CG LYS A 51 -6.610 11.203 1.160 1.00 45.50 C ATOM 746 CD LYS A 51 -7.995 10.564 1.228 1.00 65.12 C ATOM 747 CE LYS A 51 -9.002 11.461 1.941 1.00 4.31 C ATOM 748 NZ LYS A 51 -10.370 10.886 1.917 1.00 71.33 N ATOM 0 H LYS A 51 -4.081 10.356 1.475 1.00 63.11 H new ATOM 0 HA LYS A 51 -4.687 13.052 2.028 1.00 51.25 H new ATOM 0 HB2 LYS A 51 -5.982 10.499 3.082 1.00 31.41 H new ATOM 0 HB3 LYS A 51 -6.713 12.092 3.104 1.00 31.41 H new ATOM 0 HG2 LYS A 51 -6.671 12.148 0.620 1.00 45.50 H new ATOM 0 HG3 LYS A 51 -5.938 10.556 0.596 1.00 45.50 H new ATOM 0 HD2 LYS A 51 -8.348 10.354 0.218 1.00 65.12 H new ATOM 0 HD3 LYS A 51 -7.929 9.608 1.748 1.00 65.12 H new ATOM 0 HE2 LYS A 51 -8.688 11.609 2.974 1.00 4.31 H new ATOM 0 HE3 LYS A 51 -9.013 12.443 1.468 1.00 4.31 H new ATOM 0 HZ1 LYS A 51 -11.024 11.526 2.412 1.00 71.33 H new ATOM 0 HZ2 LYS A 51 -10.680 10.768 0.931 1.00 71.33 H new ATOM 0 HZ3 LYS A 51 -10.366 9.960 2.391 1.00 71.33 H new ATOM 762 N LEU A 52 -3.435 11.355 4.527 1.00 60.31 N ATOM 763 CA LEU A 52 -2.896 11.468 5.889 1.00 23.23 C ATOM 764 C LEU A 52 -1.432 11.952 5.876 1.00 70.44 C ATOM 765 O LEU A 52 -1.029 12.782 6.694 1.00 15.02 O ATOM 766 CB LEU A 52 -2.994 10.117 6.618 1.00 64.32 C ATOM 767 CG LEU A 52 -4.387 9.460 6.616 1.00 62.30 C ATOM 768 CD1 LEU A 52 -4.387 8.196 7.475 1.00 71.11 C ATOM 769 CD2 LEU A 52 -5.457 10.442 7.092 1.00 11.44 C ATOM 0 H LEU A 52 -3.199 10.483 4.053 1.00 60.31 H new ATOM 0 HA LEU A 52 -3.494 12.207 6.421 1.00 23.23 H new ATOM 0 HB2 LEU A 52 -2.285 9.426 6.162 1.00 64.32 H new ATOM 0 HB3 LEU A 52 -2.680 10.259 7.652 1.00 64.32 H new ATOM 0 HG LEU A 52 -4.626 9.176 5.591 1.00 62.30 H new ATOM 0 HD11 LEU A 52 -5.380 7.746 7.461 1.00 71.11 H new ATOM 0 HD12 LEU A 52 -3.662 7.486 7.078 1.00 71.11 H new ATOM 0 HD13 LEU A 52 -4.120 8.453 8.500 1.00 71.11 H new ATOM 0 HD21 LEU A 52 -6.431 9.953 7.081 1.00 11.44 H new ATOM 0 HD22 LEU A 52 -5.226 10.768 8.106 1.00 11.44 H new ATOM 0 HD23 LEU A 52 -5.478 11.307 6.429 1.00 11.44 H new ATOM 781 N GLN A 53 -0.639 11.426 4.939 1.00 43.41 N ATOM 782 CA GLN A 53 0.784 11.784 4.815 1.00 33.22 C ATOM 783 C GLN A 53 1.128 12.269 3.394 1.00 34.24 C ATOM 784 O GLN A 53 1.561 11.483 2.552 1.00 5.11 O ATOM 785 CB GLN A 53 1.677 10.579 5.172 1.00 44.32 C ATOM 786 CG GLN A 53 1.594 10.137 6.631 1.00 4.01 C ATOM 787 CD GLN A 53 2.146 11.173 7.597 1.00 44.53 C ATOM 788 OE1 GLN A 53 3.333 11.188 7.902 1.00 54.14 O ATOM 789 NE2 GLN A 53 1.291 12.043 8.095 1.00 74.33 N ATOM 0 H GLN A 53 -0.957 10.746 4.249 1.00 43.41 H new ATOM 0 HA GLN A 53 0.972 12.600 5.513 1.00 33.22 H new ATOM 0 HB2 GLN A 53 1.402 9.738 4.535 1.00 44.32 H new ATOM 0 HB3 GLN A 53 2.712 10.829 4.940 1.00 44.32 H new ATOM 0 HG2 GLN A 53 0.554 9.930 6.884 1.00 4.01 H new ATOM 0 HG3 GLN A 53 2.144 9.204 6.754 1.00 4.01 H new ATOM 0 HE21 GLN A 53 0.309 12.006 7.823 1.00 74.33 H new ATOM 0 HE22 GLN A 53 1.611 12.754 8.753 1.00 74.33 H new ATOM 798 N PRO A 54 0.935 13.572 3.099 1.00 21.44 N ATOM 799 CA PRO A 54 1.308 14.150 1.794 1.00 12.10 C ATOM 800 C PRO A 54 2.831 14.291 1.631 1.00 73.31 C ATOM 801 O PRO A 54 3.345 14.431 0.521 1.00 71.31 O ATOM 802 CB PRO A 54 0.622 15.523 1.809 1.00 12.40 C ATOM 803 CG PRO A 54 0.499 15.877 3.255 1.00 0.22 C ATOM 804 CD PRO A 54 0.320 14.574 3.995 1.00 4.24 C ATOM 0 HA PRO A 54 1.000 13.520 0.959 1.00 12.10 H new ATOM 0 HB2 PRO A 54 1.211 16.265 1.270 1.00 12.40 H new ATOM 0 HB3 PRO A 54 -0.355 15.481 1.328 1.00 12.40 H new ATOM 0 HG2 PRO A 54 1.387 16.403 3.604 1.00 0.22 H new ATOM 0 HG3 PRO A 54 -0.350 16.539 3.423 1.00 0.22 H new ATOM 0 HD2 PRO A 54 0.811 14.596 4.968 1.00 4.24 H new ATOM 0 HD3 PRO A 54 -0.733 14.357 4.174 1.00 4.24 H new ATOM 812 N ASP A 55 3.541 14.242 2.758 1.00 3.30 N ATOM 813 CA ASP A 55 5.003 14.314 2.770 1.00 40.05 C ATOM 814 C ASP A 55 5.635 12.985 2.313 1.00 21.35 C ATOM 815 O ASP A 55 6.761 12.955 1.812 1.00 34.31 O ATOM 816 CB ASP A 55 5.482 14.677 4.182 1.00 21.24 C ATOM 817 CG ASP A 55 6.991 14.819 4.271 1.00 63.34 C ATOM 818 OD1 ASP A 55 7.528 15.796 3.716 1.00 32.12 O ATOM 819 OD2 ASP A 55 7.642 13.963 4.908 1.00 22.24 O ATOM 0 H ASP A 55 3.122 14.152 3.684 1.00 3.30 H new ATOM 0 HA ASP A 55 5.319 15.085 2.067 1.00 40.05 H new ATOM 0 HB2 ASP A 55 5.014 15.612 4.491 1.00 21.24 H new ATOM 0 HB3 ASP A 55 5.152 13.909 4.882 1.00 21.24 H new ATOM 824 N PHE A 56 4.890 11.894 2.463 1.00 74.32 N ATOM 825 CA PHE A 56 5.406 10.560 2.154 1.00 31.03 C ATOM 826 C PHE A 56 5.392 10.298 0.640 1.00 33.10 C ATOM 827 O PHE A 56 4.347 10.009 0.056 1.00 3.31 O ATOM 828 CB PHE A 56 4.584 9.495 2.897 1.00 51.15 C ATOM 829 CG PHE A 56 5.148 8.099 2.792 1.00 23.30 C ATOM 830 CD1 PHE A 56 6.261 7.733 3.534 1.00 74.14 C ATOM 831 CD2 PHE A 56 4.564 7.154 1.960 1.00 24.52 C ATOM 832 CE1 PHE A 56 6.782 6.457 3.445 1.00 11.13 C ATOM 833 CE2 PHE A 56 5.082 5.875 1.869 1.00 50.11 C ATOM 834 CZ PHE A 56 6.192 5.525 2.613 1.00 61.42 C ATOM 0 H PHE A 56 3.926 11.905 2.797 1.00 74.32 H new ATOM 0 HA PHE A 56 6.442 10.504 2.490 1.00 31.03 H new ATOM 0 HB2 PHE A 56 4.518 9.771 3.949 1.00 51.15 H new ATOM 0 HB3 PHE A 56 3.568 9.496 2.503 1.00 51.15 H new ATOM 0 HD1 PHE A 56 6.726 8.455 4.189 1.00 74.14 H new ATOM 0 HD2 PHE A 56 3.695 7.421 1.377 1.00 24.52 H new ATOM 0 HE1 PHE A 56 7.651 6.187 4.026 1.00 11.13 H new ATOM 0 HE2 PHE A 56 4.619 5.150 1.216 1.00 50.11 H new ATOM 0 HZ PHE A 56 6.597 4.526 2.545 1.00 61.42 H new ATOM 844 N ASP A 57 6.562 10.419 0.010 1.00 3.43 N ATOM 845 CA ASP A 57 6.695 10.214 -1.433 1.00 54.12 C ATOM 846 C ASP A 57 7.790 9.172 -1.743 1.00 21.13 C ATOM 847 O ASP A 57 8.850 9.164 -1.110 1.00 2.34 O ATOM 848 CB ASP A 57 7.022 11.548 -2.111 1.00 2.43 C ATOM 849 CG ASP A 57 6.954 11.466 -3.621 1.00 73.04 C ATOM 850 OD1 ASP A 57 5.835 11.372 -4.167 1.00 75.24 O ATOM 851 OD2 ASP A 57 8.019 11.467 -4.268 1.00 33.53 O ATOM 0 H ASP A 57 7.435 10.659 0.480 1.00 3.43 H new ATOM 0 HA ASP A 57 5.751 9.833 -1.822 1.00 54.12 H new ATOM 0 HB2 ASP A 57 6.326 12.310 -1.761 1.00 2.43 H new ATOM 0 HB3 ASP A 57 8.021 11.868 -1.813 1.00 2.43 H new ATOM 856 N SER A 58 7.537 8.310 -2.728 1.00 1.22 N ATOM 857 CA SER A 58 8.463 7.211 -3.066 1.00 34.45 C ATOM 858 C SER A 58 9.811 7.722 -3.595 1.00 41.11 C ATOM 859 O SER A 58 10.860 7.119 -3.339 1.00 43.03 O ATOM 860 CB SER A 58 7.825 6.277 -4.105 1.00 44.13 C ATOM 861 OG SER A 58 6.602 5.738 -3.629 1.00 72.41 O ATOM 0 H SER A 58 6.700 8.345 -3.310 1.00 1.22 H new ATOM 0 HA SER A 58 8.655 6.664 -2.143 1.00 34.45 H new ATOM 0 HB2 SER A 58 7.648 6.825 -5.030 1.00 44.13 H new ATOM 0 HB3 SER A 58 8.515 5.467 -4.341 1.00 44.13 H new ATOM 0 HG SER A 58 5.873 6.002 -4.228 1.00 72.41 H new ATOM 867 N ARG A 59 9.787 8.840 -4.322 1.00 1.43 N ATOM 868 CA ARG A 59 11.003 9.392 -4.932 1.00 44.34 C ATOM 869 C ARG A 59 12.006 9.864 -3.864 1.00 70.22 C ATOM 870 O ARG A 59 13.213 9.900 -4.105 1.00 61.20 O ATOM 871 CB ARG A 59 10.648 10.548 -5.879 1.00 4.44 C ATOM 872 CG ARG A 59 9.702 10.152 -7.014 1.00 54.32 C ATOM 873 CD ARG A 59 10.287 9.046 -7.886 1.00 5.43 C ATOM 874 NE ARG A 59 11.541 9.458 -8.518 1.00 61.13 N ATOM 875 CZ ARG A 59 12.573 8.680 -8.690 1.00 11.14 C ATOM 876 NH1 ARG A 59 12.558 7.461 -8.262 1.00 32.33 N ATOM 877 NH2 ARG A 59 13.629 9.135 -9.280 1.00 25.42 N ATOM 0 H ARG A 59 8.942 9.382 -4.504 1.00 1.43 H new ATOM 0 HA ARG A 59 11.478 8.596 -5.506 1.00 44.34 H new ATOM 0 HB2 ARG A 59 10.190 11.351 -5.301 1.00 4.44 H new ATOM 0 HB3 ARG A 59 11.567 10.948 -6.308 1.00 4.44 H new ATOM 0 HG2 ARG A 59 8.752 9.819 -6.595 1.00 54.32 H new ATOM 0 HG3 ARG A 59 9.490 11.026 -7.630 1.00 54.32 H new ATOM 0 HD2 ARG A 59 10.461 8.158 -7.279 1.00 5.43 H new ATOM 0 HD3 ARG A 59 9.566 8.770 -8.655 1.00 5.43 H new ATOM 0 HE ARG A 59 11.613 10.421 -8.847 1.00 61.13 H new ATOM 0 HH11 ARG A 59 11.733 7.098 -7.784 1.00 32.33 H new ATOM 0 HH12 ARG A 59 13.371 6.861 -8.402 1.00 32.33 H new ATOM 0 HH21 ARG A 59 13.653 10.100 -9.609 1.00 25.42 H new ATOM 0 HH22 ARG A 59 14.438 8.529 -9.416 1.00 25.42 H new ATOM 891 N LEU A 60 11.503 10.207 -2.679 1.00 24.42 N ATOM 892 CA LEU A 60 12.358 10.647 -1.565 1.00 15.14 C ATOM 893 C LEU A 60 13.213 9.492 -1.013 1.00 12.24 C ATOM 894 O LEU A 60 14.214 9.715 -0.328 1.00 1.01 O ATOM 895 CB LEU A 60 11.494 11.236 -0.441 1.00 73.13 C ATOM 896 CG LEU A 60 10.626 12.440 -0.840 1.00 22.14 C ATOM 897 CD1 LEU A 60 9.772 12.902 0.338 1.00 31.42 C ATOM 898 CD2 LEU A 60 11.493 13.586 -1.359 1.00 0.01 C ATOM 0 H LEU A 60 10.507 10.190 -2.460 1.00 24.42 H new ATOM 0 HA LEU A 60 13.034 11.412 -1.948 1.00 15.14 H new ATOM 0 HB2 LEU A 60 10.842 10.451 -0.057 1.00 73.13 H new ATOM 0 HB3 LEU A 60 12.148 11.536 0.378 1.00 73.13 H new ATOM 0 HG LEU A 60 9.960 12.127 -1.644 1.00 22.14 H new ATOM 0 HD11 LEU A 60 9.165 13.755 0.035 1.00 31.42 H new ATOM 0 HD12 LEU A 60 9.121 12.088 0.657 1.00 31.42 H new ATOM 0 HD13 LEU A 60 10.420 13.193 1.165 1.00 31.42 H new ATOM 0 HD21 LEU A 60 10.857 14.427 -1.635 1.00 0.01 H new ATOM 0 HD22 LEU A 60 12.189 13.898 -0.580 1.00 0.01 H new ATOM 0 HD23 LEU A 60 12.053 13.252 -2.233 1.00 0.01 H new ATOM 910 N TYR A 61 12.802 8.259 -1.305 1.00 32.00 N ATOM 911 CA TYR A 61 13.513 7.062 -0.828 1.00 44.25 C ATOM 912 C TYR A 61 14.260 6.350 -1.968 1.00 14.20 C ATOM 913 O TYR A 61 14.783 5.249 -1.788 1.00 31.04 O ATOM 914 CB TYR A 61 12.519 6.098 -0.162 1.00 52.21 C ATOM 915 CG TYR A 61 11.833 6.682 1.063 1.00 61.23 C ATOM 916 CD1 TYR A 61 10.712 7.496 0.936 1.00 3.34 C ATOM 917 CD2 TYR A 61 12.313 6.425 2.343 1.00 21.13 C ATOM 918 CE1 TYR A 61 10.089 8.031 2.046 1.00 42.13 C ATOM 919 CE2 TYR A 61 11.693 6.957 3.457 1.00 62.20 C ATOM 920 CZ TYR A 61 10.584 7.759 3.304 1.00 12.45 C ATOM 921 OH TYR A 61 9.964 8.291 4.413 1.00 13.04 O ATOM 0 H TYR A 61 11.978 8.057 -1.871 1.00 32.00 H new ATOM 0 HA TYR A 61 14.257 7.382 -0.098 1.00 44.25 H new ATOM 0 HB2 TYR A 61 11.761 5.811 -0.890 1.00 52.21 H new ATOM 0 HB3 TYR A 61 13.045 5.188 0.126 1.00 52.21 H new ATOM 0 HD1 TYR A 61 10.322 7.713 -0.048 1.00 3.34 H new ATOM 0 HD2 TYR A 61 13.184 5.799 2.468 1.00 21.13 H new ATOM 0 HE1 TYR A 61 9.218 8.659 1.930 1.00 42.13 H new ATOM 0 HE2 TYR A 61 12.077 6.745 4.444 1.00 62.20 H new ATOM 0 HH TYR A 61 10.344 7.891 5.223 1.00 13.04 H new ATOM 931 N GLY A 62 14.314 6.985 -3.137 1.00 55.44 N ATOM 932 CA GLY A 62 15.022 6.406 -4.276 1.00 14.45 C ATOM 933 C GLY A 62 14.205 5.370 -5.052 1.00 15.03 C ATOM 934 O GLY A 62 14.735 4.689 -5.935 1.00 4.31 O ATOM 0 H GLY A 62 13.881 7.890 -3.319 1.00 55.44 H new ATOM 0 HA2 GLY A 62 15.314 7.207 -4.955 1.00 14.45 H new ATOM 0 HA3 GLY A 62 15.940 5.938 -3.921 1.00 14.45 H new ATOM 938 N TYR A 63 12.918 5.250 -4.741 1.00 31.42 N ATOM 939 CA TYR A 63 12.034 4.315 -5.451 1.00 10.44 C ATOM 940 C TYR A 63 11.244 5.023 -6.558 1.00 72.21 C ATOM 941 O TYR A 63 10.944 6.212 -6.461 1.00 33.13 O ATOM 942 CB TYR A 63 11.074 3.630 -4.470 1.00 21.02 C ATOM 943 CG TYR A 63 11.755 2.638 -3.543 1.00 52.20 C ATOM 944 CD1 TYR A 63 12.415 3.062 -2.394 1.00 32.41 C ATOM 945 CD2 TYR A 63 11.737 1.277 -3.820 1.00 42.33 C ATOM 946 CE1 TYR A 63 13.033 2.158 -1.550 1.00 34.24 C ATOM 947 CE2 TYR A 63 12.353 0.368 -2.981 1.00 44.20 C ATOM 948 CZ TYR A 63 13.000 0.813 -1.849 1.00 74.23 C ATOM 949 OH TYR A 63 13.613 -0.090 -1.008 1.00 52.12 O ATOM 0 H TYR A 63 12.459 5.785 -4.004 1.00 31.42 H new ATOM 0 HA TYR A 63 12.662 3.556 -5.918 1.00 10.44 H new ATOM 0 HB2 TYR A 63 10.576 4.392 -3.870 1.00 21.02 H new ATOM 0 HB3 TYR A 63 10.299 3.113 -5.035 1.00 21.02 H new ATOM 0 HD1 TYR A 63 12.445 4.115 -2.157 1.00 32.41 H new ATOM 0 HD2 TYR A 63 11.233 0.923 -4.707 1.00 42.33 H new ATOM 0 HE1 TYR A 63 13.539 2.504 -0.661 1.00 34.24 H new ATOM 0 HE2 TYR A 63 12.327 -0.687 -3.212 1.00 44.20 H new ATOM 0 HH TYR A 63 13.593 0.252 -0.090 1.00 52.12 H new ATOM 959 N LYS A 64 10.925 4.286 -7.617 1.00 52.02 N ATOM 960 CA LYS A 64 10.151 4.832 -8.737 1.00 34.14 C ATOM 961 C LYS A 64 8.686 5.086 -8.347 1.00 11.30 C ATOM 962 O LYS A 64 8.167 6.189 -8.535 1.00 42.34 O ATOM 963 CB LYS A 64 10.221 3.879 -9.939 1.00 40.35 C ATOM 964 CG LYS A 64 11.597 3.808 -10.599 1.00 64.44 C ATOM 965 CD LYS A 64 11.989 5.147 -11.224 1.00 22.32 C ATOM 966 CE LYS A 64 13.329 5.080 -11.955 1.00 62.31 C ATOM 967 NZ LYS A 64 13.648 6.366 -12.635 1.00 64.32 N ATOM 0 H LYS A 64 11.189 3.307 -7.727 1.00 52.02 H new ATOM 0 HA LYS A 64 10.591 5.791 -9.009 1.00 34.14 H new ATOM 0 HB2 LYS A 64 9.934 2.879 -9.614 1.00 40.35 H new ATOM 0 HB3 LYS A 64 9.489 4.195 -10.682 1.00 40.35 H new ATOM 0 HG2 LYS A 64 12.342 3.519 -9.858 1.00 64.44 H new ATOM 0 HG3 LYS A 64 11.594 3.034 -11.367 1.00 64.44 H new ATOM 0 HD2 LYS A 64 11.213 5.460 -11.922 1.00 22.32 H new ATOM 0 HD3 LYS A 64 12.041 5.907 -10.444 1.00 22.32 H new ATOM 0 HE2 LYS A 64 14.120 4.837 -11.245 1.00 62.31 H new ATOM 0 HE3 LYS A 64 13.303 4.276 -12.690 1.00 62.31 H new ATOM 0 HZ1 LYS A 64 14.564 6.284 -13.121 1.00 64.32 H new ATOM 0 HZ2 LYS A 64 12.906 6.585 -13.330 1.00 64.32 H new ATOM 0 HZ3 LYS A 64 13.697 7.129 -11.930 1.00 64.32 H new ATOM 981 N LYS A 65 8.024 4.063 -7.805 1.00 53.13 N ATOM 982 CA LYS A 65 6.617 4.176 -7.408 1.00 20.33 C ATOM 983 C LYS A 65 6.314 3.368 -6.131 1.00 21.30 C ATOM 984 O LYS A 65 7.057 2.451 -5.766 1.00 1.02 O ATOM 985 CB LYS A 65 5.703 3.728 -8.559 1.00 2.24 C ATOM 986 CG LYS A 65 5.999 2.323 -9.079 1.00 63.40 C ATOM 987 CD LYS A 65 5.072 1.919 -10.231 1.00 43.13 C ATOM 988 CE LYS A 65 5.372 2.668 -11.533 1.00 13.05 C ATOM 989 NZ LYS A 65 5.031 4.116 -11.472 1.00 0.22 N ATOM 0 H LYS A 65 8.438 3.147 -7.630 1.00 53.13 H new ATOM 0 HA LYS A 65 6.420 5.224 -7.183 1.00 20.33 H new ATOM 0 HB2 LYS A 65 4.667 3.769 -8.223 1.00 2.24 H new ATOM 0 HB3 LYS A 65 5.799 4.436 -9.382 1.00 2.24 H new ATOM 0 HG2 LYS A 65 7.035 2.274 -9.415 1.00 63.40 H new ATOM 0 HG3 LYS A 65 5.894 1.607 -8.264 1.00 63.40 H new ATOM 0 HD2 LYS A 65 5.165 0.847 -10.406 1.00 43.13 H new ATOM 0 HD3 LYS A 65 4.038 2.106 -9.941 1.00 43.13 H new ATOM 0 HE2 LYS A 65 6.431 2.561 -11.770 1.00 13.05 H new ATOM 0 HE3 LYS A 65 4.815 2.205 -12.347 1.00 13.05 H new ATOM 0 HZ1 LYS A 65 4.605 4.411 -12.374 1.00 0.22 H new ATOM 0 HZ2 LYS A 65 4.355 4.281 -10.699 1.00 0.22 H new ATOM 0 HZ3 LYS A 65 5.895 4.669 -11.300 1.00 0.22 H new ATOM 1003 N LEU A 66 5.209 3.718 -5.470 1.00 13.23 N ATOM 1004 CA LEU A 66 4.819 3.113 -4.186 1.00 64.43 C ATOM 1005 C LEU A 66 4.724 1.579 -4.253 1.00 3.34 C ATOM 1006 O LEU A 66 5.119 0.889 -3.314 1.00 60.12 O ATOM 1007 CB LEU A 66 3.477 3.700 -3.723 1.00 21.42 C ATOM 1008 CG LEU A 66 2.976 3.217 -2.349 1.00 2.21 C ATOM 1009 CD1 LEU A 66 3.958 3.601 -1.243 1.00 41.24 C ATOM 1010 CD2 LEU A 66 1.586 3.779 -2.055 1.00 11.04 C ATOM 0 H LEU A 66 4.557 4.427 -5.805 1.00 13.23 H new ATOM 0 HA LEU A 66 5.603 3.352 -3.467 1.00 64.43 H new ATOM 0 HB2 LEU A 66 3.566 4.786 -3.696 1.00 21.42 H new ATOM 0 HB3 LEU A 66 2.720 3.461 -4.470 1.00 21.42 H new ATOM 0 HG LEU A 66 2.908 2.129 -2.377 1.00 2.21 H new ATOM 0 HD11 LEU A 66 3.581 3.248 -0.283 1.00 41.24 H new ATOM 0 HD12 LEU A 66 4.927 3.144 -1.442 1.00 41.24 H new ATOM 0 HD13 LEU A 66 4.067 4.685 -1.214 1.00 41.24 H new ATOM 0 HD21 LEU A 66 1.250 3.426 -1.080 1.00 11.04 H new ATOM 0 HD22 LEU A 66 1.627 4.868 -2.053 1.00 11.04 H new ATOM 0 HD23 LEU A 66 0.888 3.444 -2.822 1.00 11.04 H new ATOM 1022 N SER A 67 4.205 1.053 -5.361 1.00 2.12 N ATOM 1023 CA SER A 67 4.055 -0.401 -5.534 1.00 61.33 C ATOM 1024 C SER A 67 5.375 -1.142 -5.269 1.00 42.51 C ATOM 1025 O SER A 67 5.412 -2.140 -4.542 1.00 51.12 O ATOM 1026 CB SER A 67 3.564 -0.724 -6.952 1.00 23.23 C ATOM 1027 OG SER A 67 4.507 -0.315 -7.927 1.00 31.04 O ATOM 0 H SER A 67 3.880 1.606 -6.154 1.00 2.12 H new ATOM 0 HA SER A 67 3.318 -0.740 -4.806 1.00 61.33 H new ATOM 0 HB2 SER A 67 3.385 -1.795 -7.042 1.00 23.23 H new ATOM 0 HB3 SER A 67 2.612 -0.226 -7.132 1.00 23.23 H new ATOM 0 HG SER A 67 4.170 -0.534 -8.821 1.00 31.04 H new ATOM 1033 N ASP A 68 6.457 -0.634 -5.854 1.00 42.43 N ATOM 1034 CA ASP A 68 7.779 -1.245 -5.697 1.00 21.21 C ATOM 1035 C ASP A 68 8.321 -1.036 -4.267 1.00 24.31 C ATOM 1036 O ASP A 68 8.959 -1.924 -3.696 1.00 75.23 O ATOM 1037 CB ASP A 68 8.749 -0.670 -6.734 1.00 14.21 C ATOM 1038 CG ASP A 68 10.049 -1.449 -6.795 1.00 75.24 C ATOM 1039 OD1 ASP A 68 9.999 -2.662 -7.091 1.00 50.15 O ATOM 1040 OD2 ASP A 68 11.125 -0.856 -6.574 1.00 73.11 O ATOM 0 H ASP A 68 6.447 0.200 -6.442 1.00 42.43 H new ATOM 0 HA ASP A 68 7.684 -2.318 -5.862 1.00 21.21 H new ATOM 0 HB2 ASP A 68 8.276 -0.678 -7.716 1.00 14.21 H new ATOM 0 HB3 ASP A 68 8.962 0.371 -6.492 1.00 14.21 H new ATOM 1045 N LEU A 69 8.044 0.137 -3.693 1.00 63.52 N ATOM 1046 CA LEU A 69 8.435 0.439 -2.310 1.00 70.44 C ATOM 1047 C LEU A 69 7.826 -0.571 -1.325 1.00 41.25 C ATOM 1048 O LEU A 69 8.515 -1.098 -0.450 1.00 13.01 O ATOM 1049 CB LEU A 69 7.997 1.864 -1.937 1.00 74.22 C ATOM 1050 CG LEU A 69 8.254 2.279 -0.476 1.00 73.24 C ATOM 1051 CD1 LEU A 69 9.747 2.255 -0.155 1.00 31.04 C ATOM 1052 CD2 LEU A 69 7.661 3.658 -0.194 1.00 54.40 C ATOM 0 H LEU A 69 7.550 0.895 -4.163 1.00 63.52 H new ATOM 0 HA LEU A 69 9.520 0.365 -2.244 1.00 70.44 H new ATOM 0 HB2 LEU A 69 8.513 2.566 -2.591 1.00 74.22 H new ATOM 0 HB3 LEU A 69 6.931 1.962 -2.142 1.00 74.22 H new ATOM 0 HG LEU A 69 7.759 1.556 0.172 1.00 73.24 H new ATOM 0 HD11 LEU A 69 9.901 2.552 0.882 1.00 31.04 H new ATOM 0 HD12 LEU A 69 10.135 1.248 -0.306 1.00 31.04 H new ATOM 0 HD13 LEU A 69 10.272 2.948 -0.812 1.00 31.04 H new ATOM 0 HD21 LEU A 69 7.854 3.932 0.843 1.00 54.40 H new ATOM 0 HD22 LEU A 69 8.120 4.393 -0.855 1.00 54.40 H new ATOM 0 HD23 LEU A 69 6.585 3.634 -0.369 1.00 54.40 H new ATOM 1064 N VAL A 70 6.536 -0.847 -1.488 1.00 22.40 N ATOM 1065 CA VAL A 70 5.824 -1.784 -0.613 1.00 42.25 C ATOM 1066 C VAL A 70 6.411 -3.204 -0.693 1.00 41.54 C ATOM 1067 O VAL A 70 6.779 -3.789 0.326 1.00 34.24 O ATOM 1068 CB VAL A 70 4.312 -1.833 -0.950 1.00 11.55 C ATOM 1069 CG1 VAL A 70 3.588 -2.832 -0.052 1.00 24.52 C ATOM 1070 CG2 VAL A 70 3.688 -0.442 -0.826 1.00 52.10 C ATOM 0 H VAL A 70 5.957 -0.435 -2.220 1.00 22.40 H new ATOM 0 HA VAL A 70 5.951 -1.413 0.404 1.00 42.25 H new ATOM 0 HB VAL A 70 4.204 -2.166 -1.982 1.00 11.55 H new ATOM 0 HG11 VAL A 70 2.528 -2.849 -0.307 1.00 24.52 H new ATOM 0 HG12 VAL A 70 4.012 -3.826 -0.197 1.00 24.52 H new ATOM 0 HG13 VAL A 70 3.706 -2.536 0.990 1.00 24.52 H new ATOM 0 HG21 VAL A 70 2.626 -0.497 -1.066 1.00 52.10 H new ATOM 0 HG22 VAL A 70 3.811 -0.078 0.194 1.00 52.10 H new ATOM 0 HG23 VAL A 70 4.182 0.241 -1.517 1.00 52.10 H new ATOM 1080 N LYS A 71 6.509 -3.748 -1.909 1.00 51.14 N ATOM 1081 CA LYS A 71 7.061 -5.099 -2.114 1.00 32.23 C ATOM 1082 C LYS A 71 8.545 -5.180 -1.706 1.00 2.21 C ATOM 1083 O LYS A 71 9.073 -6.266 -1.464 1.00 10.32 O ATOM 1084 CB LYS A 71 6.887 -5.543 -3.577 1.00 43.43 C ATOM 1085 CG LYS A 71 7.469 -4.568 -4.594 1.00 51.02 C ATOM 1086 CD LYS A 71 7.250 -5.032 -6.035 1.00 23.35 C ATOM 1087 CE LYS A 71 8.159 -6.197 -6.407 1.00 63.20 C ATOM 1088 NZ LYS A 71 9.600 -5.825 -6.336 1.00 41.33 N ATOM 0 H LYS A 71 6.216 -3.280 -2.766 1.00 51.14 H new ATOM 0 HA LYS A 71 6.501 -5.777 -1.470 1.00 32.23 H new ATOM 0 HB2 LYS A 71 7.360 -6.516 -3.709 1.00 43.43 H new ATOM 0 HB3 LYS A 71 5.825 -5.675 -3.782 1.00 43.43 H new ATOM 0 HG2 LYS A 71 7.012 -3.588 -4.457 1.00 51.02 H new ATOM 0 HG3 LYS A 71 8.537 -4.450 -4.411 1.00 51.02 H new ATOM 0 HD2 LYS A 71 6.209 -5.329 -6.165 1.00 23.35 H new ATOM 0 HD3 LYS A 71 7.432 -4.200 -6.715 1.00 23.35 H new ATOM 0 HE2 LYS A 71 7.967 -7.035 -5.737 1.00 63.20 H new ATOM 0 HE3 LYS A 71 7.921 -6.535 -7.416 1.00 63.20 H new ATOM 0 HZ1 LYS A 71 10.142 -6.408 -7.005 1.00 41.33 H new ATOM 0 HZ2 LYS A 71 9.712 -4.821 -6.582 1.00 41.33 H new ATOM 0 HZ3 LYS A 71 9.953 -5.986 -5.371 1.00 41.33 H new ATOM 1102 N ALA A 72 9.222 -4.035 -1.661 1.00 61.24 N ATOM 1103 CA ALA A 72 10.598 -3.975 -1.157 1.00 5.22 C ATOM 1104 C ALA A 72 10.627 -3.925 0.380 1.00 12.23 C ATOM 1105 O ALA A 72 11.515 -4.497 1.018 1.00 62.14 O ATOM 1106 CB ALA A 72 11.323 -2.770 -1.743 1.00 34.52 C ATOM 0 H ALA A 72 8.845 -3.138 -1.965 1.00 61.24 H new ATOM 0 HA ALA A 72 11.113 -4.883 -1.471 1.00 5.22 H new ATOM 0 HB1 ALA A 72 12.343 -2.738 -1.360 1.00 34.52 H new ATOM 0 HB2 ALA A 72 11.345 -2.852 -2.830 1.00 34.52 H new ATOM 0 HB3 ALA A 72 10.800 -1.857 -1.459 1.00 34.52 H new ATOM 1112 N ARG A 73 9.646 -3.244 0.975 1.00 43.15 N ATOM 1113 CA ARG A 73 9.558 -3.109 2.435 1.00 73.15 C ATOM 1114 C ARG A 73 8.551 -4.106 3.038 1.00 52.05 C ATOM 1115 O ARG A 73 7.751 -3.746 3.907 1.00 71.52 O ATOM 1116 CB ARG A 73 9.167 -1.667 2.808 1.00 11.52 C ATOM 1117 CG ARG A 73 10.193 -0.617 2.382 1.00 25.31 C ATOM 1118 CD ARG A 73 11.567 -0.883 2.989 1.00 41.03 C ATOM 1119 NE ARG A 73 11.528 -0.939 4.452 1.00 33.50 N ATOM 1120 CZ ARG A 73 12.574 -1.162 5.206 1.00 62.31 C ATOM 1121 NH1 ARG A 73 13.744 -1.354 4.679 1.00 54.23 N ATOM 1122 NH2 ARG A 73 12.453 -1.202 6.493 1.00 62.34 N ATOM 0 H ARG A 73 8.896 -2.774 0.467 1.00 43.15 H new ATOM 0 HA ARG A 73 10.539 -3.337 2.852 1.00 73.15 H new ATOM 0 HB2 ARG A 73 8.207 -1.431 2.348 1.00 11.52 H new ATOM 0 HB3 ARG A 73 9.027 -1.607 3.887 1.00 11.52 H new ATOM 0 HG2 ARG A 73 10.272 -0.608 1.295 1.00 25.31 H new ATOM 0 HG3 ARG A 73 9.848 0.371 2.685 1.00 25.31 H new ATOM 0 HD2 ARG A 73 11.956 -1.825 2.602 1.00 41.03 H new ATOM 0 HD3 ARG A 73 12.258 -0.100 2.676 1.00 41.03 H new ATOM 0 HE ARG A 73 10.629 -0.795 4.912 1.00 33.50 H new ATOM 0 HH11 ARG A 73 13.857 -1.332 3.665 1.00 54.23 H new ATOM 0 HH12 ARG A 73 14.551 -1.527 5.278 1.00 54.23 H new ATOM 0 HH21 ARG A 73 11.540 -1.059 6.924 1.00 62.34 H new ATOM 0 HH22 ARG A 73 13.271 -1.376 7.077 1.00 62.34 H new ATOM 1136 N THR A 74 8.628 -5.367 2.606 1.00 3.53 N ATOM 1137 CA THR A 74 7.748 -6.433 3.128 1.00 40.13 C ATOM 1138 C THR A 74 7.847 -6.568 4.654 1.00 74.23 C ATOM 1139 O THR A 74 6.989 -7.182 5.292 1.00 63.25 O ATOM 1140 CB THR A 74 8.069 -7.808 2.495 1.00 42.44 C ATOM 1141 OG1 THR A 74 9.433 -8.176 2.770 1.00 71.13 O ATOM 1142 CG2 THR A 74 7.834 -7.786 0.988 1.00 32.15 C ATOM 0 H THR A 74 9.289 -5.682 1.896 1.00 3.53 H new ATOM 0 HA THR A 74 6.735 -6.135 2.857 1.00 40.13 H new ATOM 0 HB THR A 74 7.400 -8.546 2.937 1.00 42.44 H new ATOM 0 HG1 THR A 74 9.624 -9.048 2.366 1.00 71.13 H new ATOM 0 HG21 THR A 74 8.067 -8.765 0.569 1.00 32.15 H new ATOM 0 HG22 THR A 74 6.791 -7.544 0.786 1.00 32.15 H new ATOM 0 HG23 THR A 74 8.476 -7.033 0.531 1.00 32.15 H new ATOM 1150 N ASP A 75 8.910 -6.005 5.228 1.00 54.43 N ATOM 1151 CA ASP A 75 9.104 -5.982 6.680 1.00 12.35 C ATOM 1152 C ASP A 75 7.927 -5.289 7.395 1.00 4.04 C ATOM 1153 O ASP A 75 7.521 -5.698 8.485 1.00 11.35 O ATOM 1154 CB ASP A 75 10.423 -5.265 7.000 1.00 71.41 C ATOM 1155 CG ASP A 75 10.770 -5.298 8.479 1.00 64.44 C ATOM 1156 OD1 ASP A 75 11.065 -6.396 8.999 1.00 13.42 O ATOM 1157 OD2 ASP A 75 10.770 -4.226 9.122 1.00 11.21 O ATOM 0 H ASP A 75 9.659 -5.553 4.703 1.00 54.43 H new ATOM 0 HA ASP A 75 9.146 -7.009 7.043 1.00 12.35 H new ATOM 0 HB2 ASP A 75 11.230 -5.729 6.432 1.00 71.41 H new ATOM 0 HB3 ASP A 75 10.356 -4.228 6.671 1.00 71.41 H new ATOM 1162 N LEU A 76 7.380 -4.252 6.763 1.00 64.34 N ATOM 1163 CA LEU A 76 6.247 -3.498 7.321 1.00 62.42 C ATOM 1164 C LEU A 76 4.919 -3.892 6.656 1.00 33.13 C ATOM 1165 O LEU A 76 3.868 -3.912 7.303 1.00 71.30 O ATOM 1166 CB LEU A 76 6.479 -1.990 7.129 1.00 33.20 C ATOM 1167 CG LEU A 76 7.670 -1.397 7.899 1.00 62.23 C ATOM 1168 CD1 LEU A 76 7.899 0.060 7.502 1.00 33.10 C ATOM 1169 CD2 LEU A 76 7.454 -1.521 9.409 1.00 32.04 C ATOM 0 H LEU A 76 7.702 -3.909 5.858 1.00 64.34 H new ATOM 0 HA LEU A 76 6.183 -3.738 8.382 1.00 62.42 H new ATOM 0 HB2 LEU A 76 6.624 -1.795 6.066 1.00 33.20 H new ATOM 0 HB3 LEU A 76 5.575 -1.460 7.430 1.00 33.20 H new ATOM 0 HG LEU A 76 8.563 -1.965 7.636 1.00 62.23 H new ATOM 0 HD11 LEU A 76 8.746 0.460 8.059 1.00 33.10 H new ATOM 0 HD12 LEU A 76 8.107 0.118 6.434 1.00 33.10 H new ATOM 0 HD13 LEU A 76 7.007 0.644 7.730 1.00 33.10 H new ATOM 0 HD21 LEU A 76 8.309 -1.095 9.935 1.00 32.04 H new ATOM 0 HD22 LEU A 76 6.549 -0.984 9.692 1.00 32.04 H new ATOM 0 HD23 LEU A 76 7.350 -2.573 9.677 1.00 32.04 H new ATOM 1181 N PHE A 77 4.971 -4.200 5.362 1.00 21.02 N ATOM 1182 CA PHE A 77 3.757 -4.441 4.573 1.00 62.34 C ATOM 1183 C PHE A 77 3.728 -5.860 3.981 1.00 75.45 C ATOM 1184 O PHE A 77 4.688 -6.305 3.356 1.00 52.44 O ATOM 1185 CB PHE A 77 3.669 -3.411 3.437 1.00 72.11 C ATOM 1186 CG PHE A 77 3.879 -1.986 3.895 1.00 1.32 C ATOM 1187 CD1 PHE A 77 3.060 -1.427 4.866 1.00 65.01 C ATOM 1188 CD2 PHE A 77 4.903 -1.211 3.362 1.00 45.42 C ATOM 1189 CE1 PHE A 77 3.259 -0.131 5.295 1.00 21.15 C ATOM 1190 CE2 PHE A 77 5.101 0.088 3.789 1.00 40.04 C ATOM 1191 CZ PHE A 77 4.281 0.627 4.757 1.00 51.42 C ATOM 0 H PHE A 77 5.839 -4.289 4.834 1.00 21.02 H new ATOM 0 HA PHE A 77 2.902 -4.341 5.241 1.00 62.34 H new ATOM 0 HB2 PHE A 77 4.414 -3.654 2.679 1.00 72.11 H new ATOM 0 HB3 PHE A 77 2.692 -3.490 2.961 1.00 72.11 H new ATOM 0 HD1 PHE A 77 2.258 -2.013 5.290 1.00 65.01 H new ATOM 0 HD2 PHE A 77 5.551 -1.629 2.606 1.00 45.42 H new ATOM 0 HE1 PHE A 77 2.615 0.291 6.052 1.00 21.15 H new ATOM 0 HE2 PHE A 77 5.898 0.681 3.365 1.00 40.04 H new ATOM 0 HZ PHE A 77 4.437 1.641 5.095 1.00 51.42 H new ATOM 1201 N VAL A 78 2.617 -6.562 4.179 1.00 43.40 N ATOM 1202 CA VAL A 78 2.427 -7.894 3.595 1.00 15.53 C ATOM 1203 C VAL A 78 1.781 -7.787 2.202 1.00 51.03 C ATOM 1204 O VAL A 78 0.734 -7.150 2.042 1.00 52.42 O ATOM 1205 CB VAL A 78 1.548 -8.786 4.508 1.00 60.43 C ATOM 1206 CG1 VAL A 78 1.413 -10.198 3.934 1.00 54.35 C ATOM 1207 CG2 VAL A 78 2.113 -8.823 5.929 1.00 12.52 C ATOM 0 H VAL A 78 1.831 -6.234 4.740 1.00 43.40 H new ATOM 0 HA VAL A 78 3.410 -8.355 3.501 1.00 15.53 H new ATOM 0 HB VAL A 78 0.550 -8.349 4.549 1.00 60.43 H new ATOM 0 HG11 VAL A 78 0.791 -10.802 4.595 1.00 54.35 H new ATOM 0 HG12 VAL A 78 0.951 -10.147 2.948 1.00 54.35 H new ATOM 0 HG13 VAL A 78 2.400 -10.652 3.849 1.00 54.35 H new ATOM 0 HG21 VAL A 78 1.482 -9.454 6.555 1.00 12.52 H new ATOM 0 HG22 VAL A 78 3.125 -9.228 5.908 1.00 12.52 H new ATOM 0 HG23 VAL A 78 2.135 -7.813 6.338 1.00 12.52 H new ATOM 1217 N THR A 79 2.399 -8.414 1.199 1.00 12.33 N ATOM 1218 CA THR A 79 1.941 -8.287 -0.195 1.00 64.43 C ATOM 1219 C THR A 79 1.459 -9.619 -0.787 1.00 44.22 C ATOM 1220 O THR A 79 2.148 -10.638 -0.700 1.00 54.41 O ATOM 1221 CB THR A 79 3.074 -7.752 -1.107 1.00 10.10 C ATOM 1222 OG1 THR A 79 4.152 -8.699 -1.161 1.00 53.21 O ATOM 1223 CG2 THR A 79 3.604 -6.415 -0.599 1.00 41.20 C ATOM 0 H THR A 79 3.215 -9.014 1.320 1.00 12.33 H new ATOM 0 HA THR A 79 1.105 -7.588 -0.163 1.00 64.43 H new ATOM 0 HB THR A 79 2.660 -7.607 -2.105 1.00 10.10 H new ATOM 0 HG1 THR A 79 3.800 -9.603 -1.023 1.00 53.21 H new ATOM 0 HG21 THR A 79 4.398 -6.064 -1.258 1.00 41.20 H new ATOM 0 HG22 THR A 79 2.795 -5.685 -0.584 1.00 41.20 H new ATOM 0 HG23 THR A 79 3.999 -6.539 0.409 1.00 41.20 H new ATOM 1231 N GLU A 80 0.273 -9.600 -1.397 1.00 4.41 N ATOM 1232 CA GLU A 80 -0.232 -10.740 -2.182 1.00 63.11 C ATOM 1233 C GLU A 80 -1.026 -10.257 -3.406 1.00 14.23 C ATOM 1234 O GLU A 80 -1.880 -9.374 -3.304 1.00 62.14 O ATOM 1235 CB GLU A 80 -1.108 -11.689 -1.336 1.00 41.31 C ATOM 1236 CG GLU A 80 -0.334 -12.514 -0.304 1.00 44.34 C ATOM 1237 CD GLU A 80 -1.186 -13.584 0.371 1.00 51.33 C ATOM 1238 OE1 GLU A 80 -1.844 -14.374 -0.347 1.00 52.33 O ATOM 1239 OE2 GLU A 80 -1.190 -13.655 1.616 1.00 72.45 O ATOM 0 H GLU A 80 -0.364 -8.804 -1.365 1.00 4.41 H new ATOM 0 HA GLU A 80 0.642 -11.298 -2.517 1.00 63.11 H new ATOM 0 HB2 GLU A 80 -1.865 -11.100 -0.818 1.00 41.31 H new ATOM 0 HB3 GLU A 80 -1.636 -12.369 -2.005 1.00 41.31 H new ATOM 0 HG2 GLU A 80 0.516 -12.990 -0.793 1.00 44.34 H new ATOM 0 HG3 GLU A 80 0.069 -11.846 0.457 1.00 44.34 H new ATOM 1246 N GLU A 81 -0.743 -10.849 -4.563 1.00 61.51 N ATOM 1247 CA GLU A 81 -1.453 -10.514 -5.804 1.00 60.32 C ATOM 1248 C GLU A 81 -2.715 -11.376 -5.943 1.00 21.03 C ATOM 1249 O GLU A 81 -2.634 -12.602 -6.030 1.00 4.01 O ATOM 1250 CB GLU A 81 -0.534 -10.729 -7.020 1.00 12.04 C ATOM 1251 CG GLU A 81 0.752 -9.913 -6.975 1.00 2.21 C ATOM 1252 CD GLU A 81 1.677 -10.209 -8.148 1.00 22.11 C ATOM 1253 OE1 GLU A 81 2.460 -11.180 -8.061 1.00 2.52 O ATOM 1254 OE2 GLU A 81 1.618 -9.488 -9.165 1.00 61.54 O ATOM 0 H GLU A 81 -0.026 -11.566 -4.672 1.00 61.51 H new ATOM 0 HA GLU A 81 -1.744 -9.464 -5.764 1.00 60.32 H new ATOM 0 HB2 GLU A 81 -0.279 -11.787 -7.088 1.00 12.04 H new ATOM 0 HB3 GLU A 81 -1.082 -10.474 -7.927 1.00 12.04 H new ATOM 0 HG2 GLU A 81 0.504 -8.852 -6.972 1.00 2.21 H new ATOM 0 HG3 GLU A 81 1.277 -10.120 -6.042 1.00 2.21 H new ATOM 1261 N ARG A 82 -3.884 -10.736 -5.956 1.00 3.45 N ATOM 1262 CA ARG A 82 -5.160 -11.462 -6.035 1.00 25.24 C ATOM 1263 C ARG A 82 -5.910 -11.110 -7.326 1.00 3.23 C ATOM 1264 O ARG A 82 -6.051 -9.937 -7.666 1.00 74.11 O ATOM 1265 CB ARG A 82 -6.046 -11.122 -4.825 1.00 14.34 C ATOM 1266 CG ARG A 82 -5.338 -11.239 -3.479 1.00 1.04 C ATOM 1267 CD ARG A 82 -4.717 -12.615 -3.265 1.00 72.31 C ATOM 1268 NE ARG A 82 -5.714 -13.684 -3.252 1.00 12.23 N ATOM 1269 CZ ARG A 82 -5.484 -14.881 -2.792 1.00 30.25 C ATOM 1270 NH1 ARG A 82 -4.317 -15.191 -2.322 1.00 71.32 N ATOM 1271 NH2 ARG A 82 -6.420 -15.771 -2.806 1.00 25.54 N ATOM 0 H ARG A 82 -3.978 -9.721 -5.913 1.00 3.45 H new ATOM 0 HA ARG A 82 -4.937 -12.529 -6.034 1.00 25.24 H new ATOM 0 HB2 ARG A 82 -6.421 -10.105 -4.938 1.00 14.34 H new ATOM 0 HB3 ARG A 82 -6.912 -11.784 -4.826 1.00 14.34 H new ATOM 0 HG2 ARG A 82 -4.560 -10.478 -3.414 1.00 1.04 H new ATOM 0 HG3 ARG A 82 -6.050 -11.036 -2.679 1.00 1.04 H new ATOM 0 HD2 ARG A 82 -3.991 -12.809 -4.055 1.00 72.31 H new ATOM 0 HD3 ARG A 82 -4.171 -12.621 -2.322 1.00 72.31 H new ATOM 0 HE ARG A 82 -6.642 -13.481 -3.624 1.00 12.23 H new ATOM 0 HH11 ARG A 82 -3.571 -14.496 -2.310 1.00 71.32 H new ATOM 0 HH12 ARG A 82 -4.145 -16.130 -1.964 1.00 71.32 H new ATOM 0 HH21 ARG A 82 -7.341 -15.537 -3.178 1.00 25.54 H new ATOM 0 HH22 ARG A 82 -6.238 -16.708 -2.446 1.00 25.54 H new ATOM 1285 N GLN A 83 -6.401 -12.120 -8.040 1.00 23.12 N ATOM 1286 CA GLN A 83 -7.126 -11.878 -9.291 1.00 1.41 C ATOM 1287 C GLN A 83 -8.575 -11.454 -9.019 1.00 71.44 C ATOM 1288 O GLN A 83 -9.271 -12.066 -8.206 1.00 12.21 O ATOM 1289 CB GLN A 83 -7.094 -13.124 -10.186 1.00 52.12 C ATOM 1290 CG GLN A 83 -7.755 -12.915 -11.547 1.00 4.50 C ATOM 1291 CD GLN A 83 -7.609 -14.113 -12.466 1.00 10.52 C ATOM 1292 OE1 GLN A 83 -7.518 -15.250 -12.015 1.00 21.11 O ATOM 1293 NE2 GLN A 83 -7.582 -13.869 -13.761 1.00 31.24 N ATOM 0 H GLN A 83 -6.314 -13.103 -7.781 1.00 23.12 H new ATOM 0 HA GLN A 83 -6.626 -11.062 -9.812 1.00 1.41 H new ATOM 0 HB2 GLN A 83 -6.058 -13.426 -10.337 1.00 52.12 H new ATOM 0 HB3 GLN A 83 -7.594 -13.944 -9.671 1.00 52.12 H new ATOM 0 HG2 GLN A 83 -8.814 -12.702 -11.402 1.00 4.50 H new ATOM 0 HG3 GLN A 83 -7.317 -12.040 -12.027 1.00 4.50 H new ATOM 0 HE21 GLN A 83 -7.660 -12.911 -14.101 1.00 31.24 H new ATOM 0 HE22 GLN A 83 -7.483 -14.639 -14.423 1.00 31.24 H new ATOM 1302 N VAL A 84 -9.033 -10.426 -9.731 1.00 3.33 N ATOM 1303 CA VAL A 84 -10.342 -9.818 -9.466 1.00 74.35 C ATOM 1304 C VAL A 84 -11.468 -10.516 -10.249 1.00 5.30 C ATOM 1305 O VAL A 84 -11.392 -10.651 -11.471 1.00 3.44 O ATOM 1306 CB VAL A 84 -10.325 -8.309 -9.832 1.00 53.12 C ATOM 1307 CG1 VAL A 84 -11.652 -7.637 -9.478 1.00 31.34 C ATOM 1308 CG2 VAL A 84 -9.157 -7.604 -9.142 1.00 15.34 C ATOM 0 H VAL A 84 -8.518 -9.994 -10.498 1.00 3.33 H new ATOM 0 HA VAL A 84 -10.539 -9.938 -8.401 1.00 74.35 H new ATOM 0 HB VAL A 84 -10.190 -8.225 -10.910 1.00 53.12 H new ATOM 0 HG11 VAL A 84 -11.608 -6.581 -9.746 1.00 31.34 H new ATOM 0 HG12 VAL A 84 -12.461 -8.118 -10.027 1.00 31.34 H new ATOM 0 HG13 VAL A 84 -11.834 -7.732 -8.407 1.00 31.34 H new ATOM 0 HG21 VAL A 84 -9.160 -6.547 -9.410 1.00 15.34 H new ATOM 0 HG22 VAL A 84 -9.258 -7.705 -8.061 1.00 15.34 H new ATOM 0 HG23 VAL A 84 -8.218 -8.056 -9.462 1.00 15.34 H new ATOM 1318 N PRO A 85 -12.534 -10.969 -9.552 1.00 51.04 N ATOM 1319 CA PRO A 85 -13.680 -11.637 -10.198 1.00 54.42 C ATOM 1320 C PRO A 85 -14.368 -10.741 -11.245 1.00 41.34 C ATOM 1321 O PRO A 85 -14.856 -9.651 -10.928 1.00 45.02 O ATOM 1322 CB PRO A 85 -14.630 -11.947 -9.025 1.00 50.05 C ATOM 1323 CG PRO A 85 -14.194 -11.043 -7.920 1.00 20.00 C ATOM 1324 CD PRO A 85 -12.710 -10.870 -8.092 1.00 31.14 C ATOM 0 HA PRO A 85 -13.375 -12.525 -10.751 1.00 54.42 H new ATOM 0 HB2 PRO A 85 -15.668 -11.761 -9.299 1.00 50.05 H new ATOM 0 HB3 PRO A 85 -14.561 -12.994 -8.728 1.00 50.05 H new ATOM 0 HG2 PRO A 85 -14.708 -10.083 -7.974 1.00 20.00 H new ATOM 0 HG3 PRO A 85 -14.427 -11.475 -6.947 1.00 20.00 H new ATOM 0 HD2 PRO A 85 -12.368 -9.909 -7.708 1.00 31.14 H new ATOM 0 HD3 PRO A 85 -12.149 -11.642 -7.564 1.00 31.14 H new ATOM 1332 N GLY A 86 -14.390 -11.204 -12.495 1.00 52.13 N ATOM 1333 CA GLY A 86 -14.967 -10.425 -13.587 1.00 2.43 C ATOM 1334 C GLY A 86 -13.904 -9.783 -14.476 1.00 14.41 C ATOM 1335 O GLY A 86 -14.132 -9.553 -15.666 1.00 62.15 O ATOM 0 H GLY A 86 -14.016 -12.111 -12.774 1.00 52.13 H new ATOM 0 HA2 GLY A 86 -15.601 -11.071 -14.194 1.00 2.43 H new ATOM 0 HA3 GLY A 86 -15.608 -9.647 -13.174 1.00 2.43 H new ATOM 1339 N SER A 87 -12.737 -9.500 -13.900 1.00 2.15 N ATOM 1340 CA SER A 87 -11.626 -8.883 -14.639 1.00 0.33 C ATOM 1341 C SER A 87 -10.558 -9.925 -14.999 1.00 0.14 C ATOM 1342 O SER A 87 -10.295 -10.850 -14.230 1.00 34.21 O ATOM 1343 CB SER A 87 -10.989 -7.761 -13.807 1.00 70.10 C ATOM 1344 OG SER A 87 -11.942 -6.766 -13.470 1.00 0.45 O ATOM 0 H SER A 87 -12.531 -9.688 -12.919 1.00 2.15 H new ATOM 0 HA SER A 87 -12.030 -8.465 -15.561 1.00 0.33 H new ATOM 0 HB2 SER A 87 -10.559 -8.179 -12.897 1.00 70.10 H new ATOM 0 HB3 SER A 87 -10.171 -7.309 -14.368 1.00 70.10 H new ATOM 0 HG SER A 87 -11.509 -6.065 -12.939 1.00 0.45 H new ATOM 1350 N THR A 88 -9.938 -9.770 -16.166 1.00 24.21 N ATOM 1351 CA THR A 88 -8.897 -10.709 -16.621 1.00 41.05 C ATOM 1352 C THR A 88 -7.531 -10.417 -15.970 1.00 61.14 C ATOM 1353 O THR A 88 -6.575 -11.177 -16.134 1.00 50.54 O ATOM 1354 CB THR A 88 -8.739 -10.674 -18.162 1.00 43.14 C ATOM 1355 OG1 THR A 88 -7.770 -11.645 -18.582 1.00 52.33 O ATOM 1356 CG2 THR A 88 -8.318 -9.289 -18.649 1.00 52.01 C ATOM 0 H THR A 88 -10.132 -9.009 -16.817 1.00 24.21 H new ATOM 0 HA THR A 88 -9.227 -11.701 -16.313 1.00 41.05 H new ATOM 0 HB THR A 88 -9.709 -10.911 -18.599 1.00 43.14 H new ATOM 0 HG1 THR A 88 -7.152 -11.831 -17.844 1.00 52.33 H new ATOM 0 HG21 THR A 88 -8.216 -9.300 -19.734 1.00 52.01 H new ATOM 0 HG22 THR A 88 -9.074 -8.557 -18.363 1.00 52.01 H new ATOM 0 HG23 THR A 88 -7.363 -9.019 -18.198 1.00 52.01 H new ATOM 1364 N GLN A 89 -7.451 -9.313 -15.229 1.00 24.14 N ATOM 1365 CA GLN A 89 -6.206 -8.896 -14.566 1.00 52.34 C ATOM 1366 C GLN A 89 -6.226 -9.195 -13.056 1.00 54.42 C ATOM 1367 O GLN A 89 -7.289 -9.368 -12.451 1.00 54.13 O ATOM 1368 CB GLN A 89 -5.974 -7.394 -14.781 1.00 53.23 C ATOM 1369 CG GLN A 89 -7.066 -6.512 -14.179 1.00 74.14 C ATOM 1370 CD GLN A 89 -6.792 -5.028 -14.358 1.00 23.43 C ATOM 1371 OE1 GLN A 89 -6.157 -4.394 -13.521 1.00 52.14 O ATOM 1372 NE2 GLN A 89 -7.271 -4.464 -15.445 1.00 43.34 N ATOM 0 H GLN A 89 -8.238 -8.684 -15.069 1.00 24.14 H new ATOM 0 HA GLN A 89 -5.394 -9.470 -15.013 1.00 52.34 H new ATOM 0 HB2 GLN A 89 -5.014 -7.117 -14.345 1.00 53.23 H new ATOM 0 HB3 GLN A 89 -5.907 -7.195 -15.851 1.00 53.23 H new ATOM 0 HG2 GLN A 89 -8.022 -6.758 -14.642 1.00 74.14 H new ATOM 0 HG3 GLN A 89 -7.160 -6.733 -13.116 1.00 74.14 H new ATOM 0 HE21 GLN A 89 -7.795 -5.021 -16.120 1.00 43.34 H new ATOM 0 HE22 GLN A 89 -7.119 -3.469 -15.613 1.00 43.34 H new ATOM 1381 N LYS A 90 -5.040 -9.259 -12.452 1.00 0.32 N ATOM 1382 CA LYS A 90 -4.914 -9.426 -10.999 1.00 24.15 C ATOM 1383 C LYS A 90 -4.470 -8.117 -10.322 1.00 11.50 C ATOM 1384 O LYS A 90 -3.635 -7.379 -10.848 1.00 62.14 O ATOM 1385 CB LYS A 90 -3.926 -10.561 -10.666 1.00 13.30 C ATOM 1386 CG LYS A 90 -2.485 -10.294 -11.104 1.00 50.15 C ATOM 1387 CD LYS A 90 -1.542 -11.433 -10.712 1.00 53.43 C ATOM 1388 CE LYS A 90 -1.859 -12.728 -11.452 1.00 35.41 C ATOM 1389 NZ LYS A 90 -0.965 -13.840 -11.028 1.00 31.03 N ATOM 0 H LYS A 90 -4.149 -9.198 -12.945 1.00 0.32 H new ATOM 0 HA LYS A 90 -5.897 -9.691 -10.610 1.00 24.15 H new ATOM 0 HB2 LYS A 90 -3.940 -10.734 -9.590 1.00 13.30 H new ATOM 0 HB3 LYS A 90 -4.273 -11.479 -11.141 1.00 13.30 H new ATOM 0 HG2 LYS A 90 -2.455 -10.155 -12.185 1.00 50.15 H new ATOM 0 HG3 LYS A 90 -2.136 -9.365 -10.654 1.00 50.15 H new ATOM 0 HD2 LYS A 90 -0.514 -11.139 -10.923 1.00 53.43 H new ATOM 0 HD3 LYS A 90 -1.611 -11.605 -9.638 1.00 53.43 H new ATOM 0 HE2 LYS A 90 -2.897 -13.006 -11.269 1.00 35.41 H new ATOM 0 HE3 LYS A 90 -1.756 -12.568 -12.525 1.00 35.41 H new ATOM 0 HZ1 LYS A 90 -1.212 -14.703 -11.553 1.00 31.03 H new ATOM 0 HZ2 LYS A 90 0.024 -13.585 -11.225 1.00 31.03 H new ATOM 0 HZ3 LYS A 90 -1.082 -14.010 -10.009 1.00 31.03 H new ATOM 1403 N ALA A 91 -5.030 -7.837 -9.150 1.00 1.34 N ATOM 1404 CA ALA A 91 -4.707 -6.613 -8.410 1.00 40.24 C ATOM 1405 C ALA A 91 -3.870 -6.916 -7.158 1.00 34.41 C ATOM 1406 O ALA A 91 -4.129 -7.885 -6.442 1.00 44.21 O ATOM 1407 CB ALA A 91 -5.989 -5.883 -8.024 1.00 63.25 C ATOM 0 H ALA A 91 -5.711 -8.439 -8.688 1.00 1.34 H new ATOM 0 HA ALA A 91 -4.111 -5.974 -9.061 1.00 40.24 H new ATOM 0 HB1 ALA A 91 -5.739 -4.975 -7.475 1.00 63.25 H new ATOM 0 HB2 ALA A 91 -6.544 -5.621 -8.925 1.00 63.25 H new ATOM 0 HB3 ALA A 91 -6.601 -6.530 -7.396 1.00 63.25 H new ATOM 1413 N LEU A 92 -2.862 -6.088 -6.904 1.00 62.33 N ATOM 1414 CA LEU A 92 -2.017 -6.244 -5.717 1.00 51.43 C ATOM 1415 C LEU A 92 -2.732 -5.734 -4.454 1.00 65.33 C ATOM 1416 O LEU A 92 -3.056 -4.547 -4.344 1.00 62.30 O ATOM 1417 CB LEU A 92 -0.690 -5.497 -5.911 1.00 41.51 C ATOM 1418 CG LEU A 92 0.297 -5.593 -4.732 1.00 20.30 C ATOM 1419 CD1 LEU A 92 0.838 -7.014 -4.593 1.00 3.11 C ATOM 1420 CD2 LEU A 92 1.440 -4.589 -4.898 1.00 15.03 C ATOM 0 H LEU A 92 -2.607 -5.301 -7.501 1.00 62.33 H new ATOM 0 HA LEU A 92 -1.814 -7.307 -5.584 1.00 51.43 H new ATOM 0 HB2 LEU A 92 -0.201 -5.884 -6.805 1.00 41.51 H new ATOM 0 HB3 LEU A 92 -0.908 -4.445 -6.097 1.00 41.51 H new ATOM 0 HG LEU A 92 -0.241 -5.345 -3.817 1.00 20.30 H new ATOM 0 HD11 LEU A 92 1.533 -7.058 -3.754 1.00 3.11 H new ATOM 0 HD12 LEU A 92 0.012 -7.702 -4.416 1.00 3.11 H new ATOM 0 HD13 LEU A 92 1.356 -7.297 -5.509 1.00 3.11 H new ATOM 0 HD21 LEU A 92 2.125 -4.674 -4.054 1.00 15.03 H new ATOM 0 HD22 LEU A 92 1.977 -4.798 -5.823 1.00 15.03 H new ATOM 0 HD23 LEU A 92 1.034 -3.578 -4.935 1.00 15.03 H new ATOM 1432 N TYR A 93 -2.987 -6.639 -3.513 1.00 13.15 N ATOM 1433 CA TYR A 93 -3.587 -6.273 -2.227 1.00 14.51 C ATOM 1434 C TYR A 93 -2.533 -6.255 -1.112 1.00 42.32 C ATOM 1435 O TYR A 93 -1.621 -7.086 -1.084 1.00 5.51 O ATOM 1436 CB TYR A 93 -4.732 -7.234 -1.869 1.00 52.32 C ATOM 1437 CG TYR A 93 -5.969 -7.068 -2.738 1.00 52.35 C ATOM 1438 CD1 TYR A 93 -6.038 -7.631 -4.006 1.00 55.22 C ATOM 1439 CD2 TYR A 93 -7.061 -6.330 -2.289 1.00 40.43 C ATOM 1440 CE1 TYR A 93 -7.164 -7.475 -4.795 1.00 22.03 C ATOM 1441 CE2 TYR A 93 -8.188 -6.171 -3.072 1.00 51.14 C ATOM 1442 CZ TYR A 93 -8.233 -6.742 -4.324 1.00 23.30 C ATOM 1443 OH TYR A 93 -9.355 -6.583 -5.107 1.00 53.30 O ATOM 0 H TYR A 93 -2.788 -7.634 -3.614 1.00 13.15 H new ATOM 0 HA TYR A 93 -3.996 -5.267 -2.323 1.00 14.51 H new ATOM 0 HB2 TYR A 93 -4.373 -8.260 -1.956 1.00 52.32 H new ATOM 0 HB3 TYR A 93 -5.009 -7.081 -0.826 1.00 52.32 H new ATOM 0 HD1 TYR A 93 -5.200 -8.199 -4.382 1.00 55.22 H new ATOM 0 HD2 TYR A 93 -7.026 -5.874 -1.311 1.00 40.43 H new ATOM 0 HE1 TYR A 93 -7.206 -7.925 -5.776 1.00 22.03 H new ATOM 0 HE2 TYR A 93 -9.029 -5.602 -2.704 1.00 51.14 H new ATOM 0 HH TYR A 93 -10.015 -6.041 -4.626 1.00 53.30 H new ATOM 1453 N LEU A 94 -2.670 -5.301 -0.195 1.00 2.04 N ATOM 1454 CA LEU A 94 -1.686 -5.096 0.875 1.00 73.15 C ATOM 1455 C LEU A 94 -2.342 -5.176 2.261 1.00 12.01 C ATOM 1456 O LEU A 94 -3.529 -4.888 2.416 1.00 64.43 O ATOM 1457 CB LEU A 94 -1.028 -3.715 0.716 1.00 34.02 C ATOM 1458 CG LEU A 94 -0.491 -3.385 -0.688 1.00 4.41 C ATOM 1459 CD1 LEU A 94 0.105 -1.980 -0.717 1.00 72.42 C ATOM 1460 CD2 LEU A 94 0.534 -4.420 -1.141 1.00 73.45 C ATOM 0 H LEU A 94 -3.456 -4.652 -0.168 1.00 2.04 H new ATOM 0 HA LEU A 94 -0.938 -5.885 0.796 1.00 73.15 H new ATOM 0 HB2 LEU A 94 -1.756 -2.953 0.994 1.00 34.02 H new ATOM 0 HB3 LEU A 94 -0.204 -3.643 1.426 1.00 34.02 H new ATOM 0 HG LEU A 94 -1.327 -3.417 -1.387 1.00 4.41 H new ATOM 0 HD11 LEU A 94 0.480 -1.764 -1.718 1.00 72.42 H new ATOM 0 HD12 LEU A 94 -0.663 -1.253 -0.453 1.00 72.42 H new ATOM 0 HD13 LEU A 94 0.925 -1.918 -0.001 1.00 72.42 H new ATOM 0 HD21 LEU A 94 0.896 -4.162 -2.136 1.00 73.45 H new ATOM 0 HD22 LEU A 94 1.371 -4.434 -0.442 1.00 73.45 H new ATOM 0 HD23 LEU A 94 0.068 -5.405 -1.169 1.00 73.45 H new ATOM 1472 N ARG A 95 -1.566 -5.566 3.268 1.00 65.42 N ATOM 1473 CA ARG A 95 -2.040 -5.539 4.657 1.00 62.51 C ATOM 1474 C ARG A 95 -0.880 -5.301 5.636 1.00 22.24 C ATOM 1475 O ARG A 95 0.291 -5.385 5.263 1.00 24.31 O ATOM 1476 CB ARG A 95 -2.779 -6.833 5.017 1.00 24.21 C ATOM 1477 CG ARG A 95 -1.887 -8.067 5.092 1.00 21.14 C ATOM 1478 CD ARG A 95 -2.642 -9.267 5.651 1.00 34.31 C ATOM 1479 NE ARG A 95 -3.221 -8.984 6.963 1.00 52.15 N ATOM 1480 CZ ARG A 95 -3.540 -9.891 7.839 1.00 44.54 C ATOM 1481 NH1 ARG A 95 -3.318 -11.147 7.604 1.00 74.21 N ATOM 1482 NH2 ARG A 95 -4.078 -9.537 8.960 1.00 42.15 N ATOM 0 H ARG A 95 -0.610 -5.904 3.154 1.00 65.42 H new ATOM 0 HA ARG A 95 -2.740 -4.708 4.744 1.00 62.51 H new ATOM 0 HB2 ARG A 95 -3.274 -6.699 5.979 1.00 24.21 H new ATOM 0 HB3 ARG A 95 -3.560 -7.009 4.278 1.00 24.21 H new ATOM 0 HG2 ARG A 95 -1.508 -8.305 4.098 1.00 21.14 H new ATOM 0 HG3 ARG A 95 -1.022 -7.855 5.720 1.00 21.14 H new ATOM 0 HD2 ARG A 95 -3.434 -9.552 4.959 1.00 34.31 H new ATOM 0 HD3 ARG A 95 -1.965 -10.118 5.729 1.00 34.31 H new ATOM 0 HE ARG A 95 -3.386 -8.008 7.208 1.00 52.15 H new ATOM 0 HH11 ARG A 95 -2.889 -11.433 6.724 1.00 74.21 H new ATOM 0 HH12 ARG A 95 -3.573 -11.849 8.299 1.00 74.21 H new ATOM 0 HH21 ARG A 95 -4.250 -8.551 9.154 1.00 42.15 H new ATOM 0 HH22 ARG A 95 -4.330 -10.244 9.650 1.00 42.15 H new ATOM 1496 N ALA A 96 -1.217 -5.004 6.886 1.00 24.43 N ATOM 1497 CA ALA A 96 -0.218 -4.655 7.902 1.00 12.01 C ATOM 1498 C ALA A 96 0.525 -5.886 8.448 1.00 1.24 C ATOM 1499 O ALA A 96 -0.036 -6.981 8.540 1.00 25.53 O ATOM 1500 CB ALA A 96 -0.884 -3.898 9.047 1.00 64.01 C ATOM 0 H ALA A 96 -2.179 -4.997 7.226 1.00 24.43 H new ATOM 0 HA ALA A 96 0.525 -4.020 7.419 1.00 12.01 H new ATOM 0 HB1 ALA A 96 -0.136 -3.642 9.798 1.00 64.01 H new ATOM 0 HB2 ALA A 96 -1.340 -2.985 8.663 1.00 64.01 H new ATOM 0 HB3 ALA A 96 -1.652 -4.525 9.499 1.00 64.01 H new ATOM 1506 N LYS A 97 1.793 -5.690 8.813 1.00 72.34 N ATOM 1507 CA LYS A 97 2.592 -6.739 9.458 1.00 0.03 C ATOM 1508 C LYS A 97 2.234 -6.855 10.949 1.00 30.24 C ATOM 1509 O LYS A 97 2.629 -6.017 11.763 1.00 34.24 O ATOM 1510 CB LYS A 97 4.093 -6.433 9.301 1.00 40.40 C ATOM 1511 CG LYS A 97 5.016 -7.381 10.067 1.00 32.32 C ATOM 1512 CD LYS A 97 4.933 -8.812 9.546 1.00 72.21 C ATOM 1513 CE LYS A 97 5.423 -8.923 8.106 1.00 31.21 C ATOM 1514 NZ LYS A 97 5.381 -10.324 7.613 1.00 51.42 N ATOM 0 H LYS A 97 2.292 -4.812 8.673 1.00 72.34 H new ATOM 0 HA LYS A 97 2.368 -7.689 8.973 1.00 0.03 H new ATOM 0 HB2 LYS A 97 4.350 -6.472 8.242 1.00 40.40 H new ATOM 0 HB3 LYS A 97 4.280 -5.413 9.637 1.00 40.40 H new ATOM 0 HG2 LYS A 97 6.044 -7.027 9.989 1.00 32.32 H new ATOM 0 HG3 LYS A 97 4.753 -7.365 11.125 1.00 32.32 H new ATOM 0 HD2 LYS A 97 5.529 -9.465 10.183 1.00 72.21 H new ATOM 0 HD3 LYS A 97 3.902 -9.161 9.607 1.00 72.21 H new ATOM 0 HE2 LYS A 97 4.807 -8.293 7.463 1.00 31.21 H new ATOM 0 HE3 LYS A 97 6.443 -8.545 8.040 1.00 31.21 H new ATOM 0 HZ1 LYS A 97 5.722 -10.357 6.631 1.00 51.42 H new ATOM 0 HZ2 LYS A 97 5.988 -10.921 8.210 1.00 51.42 H new ATOM 0 HZ3 LYS A 97 4.403 -10.677 7.652 1.00 51.42 H new ATOM 1528 N LEU A 98 1.477 -7.891 11.299 1.00 55.51 N ATOM 1529 CA LEU A 98 1.022 -8.084 12.679 1.00 32.53 C ATOM 1530 C LEU A 98 1.648 -9.337 13.316 1.00 73.23 C ATOM 1531 O LEU A 98 1.199 -10.461 13.081 1.00 62.31 O ATOM 1532 CB LEU A 98 -0.511 -8.185 12.716 1.00 53.01 C ATOM 1533 CG LEU A 98 -1.266 -6.971 12.141 1.00 12.30 C ATOM 1534 CD1 LEU A 98 -2.775 -7.213 12.164 1.00 25.21 C ATOM 1535 CD2 LEU A 98 -0.909 -5.695 12.904 1.00 71.11 C ATOM 0 H LEU A 98 1.164 -8.612 10.649 1.00 55.51 H new ATOM 0 HA LEU A 98 1.346 -7.220 13.260 1.00 32.53 H new ATOM 0 HB2 LEU A 98 -0.813 -9.075 12.164 1.00 53.01 H new ATOM 0 HB3 LEU A 98 -0.824 -8.330 13.750 1.00 53.01 H new ATOM 0 HG LEU A 98 -0.958 -6.840 11.104 1.00 12.30 H new ATOM 0 HD11 LEU A 98 -3.289 -6.344 11.754 1.00 25.21 H new ATOM 0 HD12 LEU A 98 -3.012 -8.091 11.564 1.00 25.21 H new ATOM 0 HD13 LEU A 98 -3.102 -7.377 13.191 1.00 25.21 H new ATOM 0 HD21 LEU A 98 -1.455 -4.852 12.479 1.00 71.11 H new ATOM 0 HD22 LEU A 98 -1.180 -5.811 13.953 1.00 71.11 H new ATOM 0 HD23 LEU A 98 0.162 -5.511 12.824 1.00 71.11 H new ATOM 1547 N GLU A 99 2.689 -9.136 14.123 1.00 14.24 N ATOM 1548 CA GLU A 99 3.319 -10.233 14.871 1.00 2.22 C ATOM 1549 C GLU A 99 3.873 -9.740 16.217 1.00 25.11 C ATOM 1550 O GLU A 99 3.773 -8.555 16.544 1.00 43.11 O ATOM 1551 CB GLU A 99 4.432 -10.902 14.047 1.00 51.53 C ATOM 1552 CG GLU A 99 5.622 -9.999 13.739 1.00 42.00 C ATOM 1553 CD GLU A 99 6.771 -10.759 13.095 1.00 74.11 C ATOM 1554 OE1 GLU A 99 7.598 -11.336 13.837 1.00 2.01 O ATOM 1555 OE2 GLU A 99 6.843 -10.806 11.852 1.00 73.23 O ATOM 0 H GLU A 99 3.117 -8.223 14.278 1.00 14.24 H new ATOM 0 HA GLU A 99 2.548 -10.977 15.070 1.00 2.22 H new ATOM 0 HB2 GLU A 99 4.788 -11.780 14.586 1.00 51.53 H new ATOM 0 HB3 GLU A 99 4.008 -11.256 13.107 1.00 51.53 H new ATOM 0 HG2 GLU A 99 5.303 -9.195 13.075 1.00 42.00 H new ATOM 0 HG3 GLU A 99 5.969 -9.532 14.661 1.00 42.00 H new ATOM 1562 N HIS A 100 4.476 -10.646 16.989 1.00 60.41 N ATOM 1563 CA HIS A 100 4.884 -10.338 18.368 1.00 14.10 C ATOM 1564 C HIS A 100 6.392 -10.078 18.495 1.00 12.32 C ATOM 1565 O HIS A 100 6.964 -10.224 19.577 1.00 43.32 O ATOM 1566 CB HIS A 100 4.462 -11.482 19.293 1.00 12.04 C ATOM 1567 CG HIS A 100 2.987 -11.730 19.269 1.00 63.53 C ATOM 1568 ND1 HIS A 100 2.069 -10.852 19.802 1.00 41.31 N ATOM 1569 CD2 HIS A 100 2.264 -12.751 18.750 1.00 33.33 C ATOM 1570 CE1 HIS A 100 0.853 -11.318 19.614 1.00 20.51 C ATOM 1571 NE2 HIS A 100 0.944 -12.466 18.980 1.00 2.03 N ATOM 0 H HIS A 100 4.694 -11.596 16.688 1.00 60.41 H new ATOM 0 HA HIS A 100 4.382 -9.416 18.661 1.00 14.10 H new ATOM 0 HB2 HIS A 100 4.984 -12.393 18.999 1.00 12.04 H new ATOM 0 HB3 HIS A 100 4.771 -11.252 20.313 1.00 12.04 H new ATOM 0 HD2 HIS A 100 2.654 -13.625 18.249 1.00 33.33 H new ATOM 0 HE1 HIS A 100 -0.063 -10.839 19.927 1.00 20.51 H new ATOM 0 HE2 HIS A 100 0.156 -13.052 18.703 1.00 2.03 H new ATOM 1580 N HIS A 101 7.032 -9.676 17.398 1.00 1.24 N ATOM 1581 CA HIS A 101 8.447 -9.295 17.437 1.00 44.23 C ATOM 1582 C HIS A 101 8.662 -8.133 18.423 1.00 60.31 C ATOM 1583 O HIS A 101 8.028 -7.083 18.306 1.00 42.12 O ATOM 1584 CB HIS A 101 8.943 -8.908 16.035 1.00 23.13 C ATOM 1585 CG HIS A 101 10.396 -8.524 15.993 1.00 20.45 C ATOM 1586 ND1 HIS A 101 11.421 -9.447 15.994 1.00 63.25 N ATOM 1587 CD2 HIS A 101 10.993 -7.309 15.950 1.00 12.02 C ATOM 1588 CE1 HIS A 101 12.579 -8.820 15.954 1.00 32.21 C ATOM 1589 NE2 HIS A 101 12.349 -7.523 15.927 1.00 74.33 N ATOM 0 H HIS A 101 6.599 -9.605 16.477 1.00 1.24 H new ATOM 0 HA HIS A 101 9.025 -10.153 17.780 1.00 44.23 H new ATOM 0 HB2 HIS A 101 8.778 -9.745 15.357 1.00 23.13 H new ATOM 0 HB3 HIS A 101 8.345 -8.075 15.665 1.00 23.13 H new ATOM 0 HD2 HIS A 101 10.495 -6.351 15.936 1.00 12.02 H new ATOM 0 HE1 HIS A 101 13.552 -9.289 15.945 1.00 32.21 H new ATOM 0 HE2 HIS A 101 13.063 -6.795 15.894 1.00 74.33 H new ATOM 1598 N HIS A 102 9.564 -8.333 19.383 1.00 24.42 N ATOM 1599 CA HIS A 102 9.791 -7.360 20.463 1.00 4.23 C ATOM 1600 C HIS A 102 10.149 -5.964 19.914 1.00 5.11 C ATOM 1601 O HIS A 102 11.262 -5.736 19.432 1.00 4.01 O ATOM 1602 CB HIS A 102 10.893 -7.871 21.402 1.00 23.42 C ATOM 1603 CG HIS A 102 10.553 -9.168 22.086 1.00 43.13 C ATOM 1604 ND1 HIS A 102 9.793 -10.221 21.682 1.00 41.13 N flip ATOM 1605 CD2 HIS A 102 11.019 -9.505 23.337 1.00 13.45 C flip ATOM 1606 CE1 HIS A 102 9.819 -11.149 22.689 1.00 40.30 C flip ATOM 1607 NE2 HIS A 102 10.565 -10.695 23.671 1.00 0.01 N flip ATOM 0 H HIS A 102 10.155 -9.163 19.439 1.00 24.42 H new ATOM 0 HA HIS A 102 8.861 -7.256 21.022 1.00 4.23 H new ATOM 0 HB2 HIS A 102 11.812 -8.002 20.831 1.00 23.42 H new ATOM 0 HB3 HIS A 102 11.093 -7.113 22.159 1.00 23.42 H new ATOM 0 HD2 HIS A 102 11.659 -8.888 23.950 1.00 13.45 H new ATOM 0 HE1 HIS A 102 9.309 -12.101 22.678 1.00 40.30 H new ATOM 0 HE2 HIS A 102 10.760 -11.183 24.545 1.00 0.01 H new ATOM 1616 N HIS A 103 9.195 -5.035 19.999 1.00 62.31 N ATOM 1617 CA HIS A 103 9.344 -3.696 19.414 1.00 10.22 C ATOM 1618 C HIS A 103 10.405 -2.858 20.147 1.00 14.02 C ATOM 1619 O HIS A 103 10.420 -2.788 21.379 1.00 72.23 O ATOM 1620 CB HIS A 103 8.001 -2.948 19.440 1.00 3.00 C ATOM 1621 CG HIS A 103 6.863 -3.719 18.843 1.00 12.31 C ATOM 1622 ND1 HIS A 103 5.827 -4.223 19.596 1.00 34.21 N ATOM 1623 CD2 HIS A 103 6.587 -4.060 17.561 1.00 75.35 C ATOM 1624 CE1 HIS A 103 4.970 -4.840 18.812 1.00 4.32 C ATOM 1625 NE2 HIS A 103 5.403 -4.758 17.571 1.00 1.52 N ATOM 0 H HIS A 103 8.303 -5.185 20.471 1.00 62.31 H new ATOM 0 HA HIS A 103 9.673 -3.834 18.384 1.00 10.22 H new ATOM 0 HB2 HIS A 103 7.756 -2.698 20.472 1.00 3.00 H new ATOM 0 HB3 HIS A 103 8.111 -2.006 18.902 1.00 3.00 H new ATOM 0 HD2 HIS A 103 7.186 -3.827 16.693 1.00 75.35 H new ATOM 0 HE1 HIS A 103 4.063 -5.331 19.132 1.00 4.32 H new ATOM 0 HE2 HIS A 103 4.937 -5.148 16.752 1.00 1.52 H new ATOM 1634 N HIS A 104 11.284 -2.220 19.378 1.00 13.14 N ATOM 1635 CA HIS A 104 12.289 -1.310 19.937 1.00 3.23 C ATOM 1636 C HIS A 104 11.726 0.119 20.031 1.00 65.31 C ATOM 1637 O HIS A 104 12.043 0.867 20.958 1.00 55.12 O ATOM 1638 CB HIS A 104 13.562 -1.331 19.076 1.00 34.54 C ATOM 1639 CG HIS A 104 14.682 -0.498 19.627 1.00 44.51 C ATOM 1640 ND1 HIS A 104 15.576 -0.960 20.570 1.00 11.41 N ATOM 1641 CD2 HIS A 104 15.059 0.775 19.356 1.00 74.43 C ATOM 1642 CE1 HIS A 104 16.447 -0.015 20.854 1.00 24.34 C ATOM 1643 NE2 HIS A 104 16.158 1.047 20.131 1.00 2.51 N ATOM 0 H HIS A 104 11.323 -2.315 18.363 1.00 13.14 H new ATOM 0 HA HIS A 104 12.544 -1.646 20.942 1.00 3.23 H new ATOM 0 HB2 HIS A 104 13.904 -2.361 18.975 1.00 34.54 H new ATOM 0 HB3 HIS A 104 13.317 -0.977 18.075 1.00 34.54 H new ATOM 0 HD2 HIS A 104 14.583 1.450 18.660 1.00 74.43 H new ATOM 0 HE1 HIS A 104 17.260 -0.097 21.560 1.00 24.34 H new ATOM 0 HE2 HIS A 104 16.669 1.930 20.145 1.00 2.51 H new ATOM 1652 N HIS A 105 10.900 0.478 19.046 1.00 51.24 N ATOM 1653 CA HIS A 105 10.211 1.778 19.003 1.00 65.02 C ATOM 1654 C HIS A 105 9.250 1.847 17.796 1.00 72.13 C ATOM 1655 O HIS A 105 9.737 1.954 16.648 1.00 37.03 O ATOM 1656 CB HIS A 105 11.222 2.936 18.945 1.00 34.54 C ATOM 1657 CG HIS A 105 10.587 4.293 18.911 1.00 53.24 C ATOM 1658 ND1 HIS A 105 9.959 4.855 19.999 1.00 55.35 N ATOM 1659 CD2 HIS A 105 10.487 5.205 17.915 1.00 72.34 C ATOM 1660 CE1 HIS A 105 9.501 6.045 19.677 1.00 31.41 C ATOM 1661 NE2 HIS A 105 9.808 6.289 18.417 1.00 75.13 N ATOM 1662 OXT HIS A 105 8.020 1.797 18.001 1.00 37.03 O ATOM 0 H HIS A 105 10.687 -0.124 18.251 1.00 51.24 H new ATOM 0 HA HIS A 105 9.628 1.877 19.919 1.00 65.02 H new ATOM 0 HB2 HIS A 105 11.880 2.875 19.812 1.00 34.54 H new ATOM 0 HB3 HIS A 105 11.848 2.816 18.061 1.00 34.54 H new ATOM 0 HD2 HIS A 105 10.870 5.100 16.911 1.00 72.34 H new ATOM 0 HE1 HIS A 105 8.963 6.712 20.335 1.00 31.41 H new ATOM 0 HE2 HIS A 105 9.580 7.139 17.902 1.00 75.13 H new TER 1671 HIS A 105