USER MOD reduce.3.24.130724 H: found=0, std=0, add=1082, rem=0, adj=47 USER MOD reduce.3.24.130724 removed 1076 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 102 TYR OH : rot 30:sc= 0.465 USER MOD Set 1.2: A 125 LYS NZ :NH3+ 145:sc= 1.58 (180deg=0.952) USER MOD Set 2.1: A 81 ASN :FLIP amide:sc= -0.185 F(o=-0.97!,f=0.042) USER MOD Set 2.2: A 85 GLN : amide:sc= 0.227 K(o=0.042,f=-0.97) USER MOD Set 3.1: A 71 THR OG1 : rot 151:sc= -2.8! USER MOD Set 3.2: A 73 HIS : no HD1:sc= -11.2! C(o=-38!,f=-41!) USER MOD Set 3.3: A 75 HIS : no HE2:sc= -24! C(o=-38!,f=-48!) USER MOD Set 4.1: A 60 ASN :FLIP amide:sc= -6.01! C(o=-26!,f=-19!) USER MOD Set 4.2: A 65 ASN : amide:sc= -12.7! C(o=-19!,f=-29!) USER MOD Set 5.1: A 57 SER OG : rot -5:sc= -0.742! USER MOD Set 5.2: A 59 HIS : no HE2:sc= -14.2! C(o=-15!,f=-17!) USER MOD Set 6.1: A 44 TYR OH : rot -39:sc= -3.85! USER MOD Set 6.2: A 48 MET CE :methyl -149:sc= -12! (180deg=-14.8!) USER MOD Set 7.1: A 39 LYS NZ :NH3+ 172:sc= -4.54 (180deg=-4.66) USER MOD Set 7.2: A 91 SER OG : rot 180:sc= -0.881 USER MOD Set 8.1: A 34 TYR OH : rot 180:sc= 0 USER MOD Set 8.2: A 64 HIS : no HE2:sc= -15.5! C(o=-15!,f=-19!) USER MOD Set 9.1: A 19 SER OG : rot 180:sc= 0 USER MOD Set 9.2: A 99 ASN : amide:sc= -0.648 X(o=-0.65,f=-0.84) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= -0.0502 USER MOD Single : A 3 LYS NZ :NH3+ -130:sc= 0.173 (180deg=0) USER MOD Single : A 8 LYS NZ :NH3+ -159:sc= -0.14 (180deg=-0.867) USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 20 HIS : no HD1:sc= -3.36! C(o=-3.4!,f=-4!) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 25 ASN :FLIP amide:sc= -0.229 F(o=-1.1!,f=-0.23) USER MOD Single : A 27 THR OG1 : rot 2:sc= 0.874 USER MOD Single : A 30 CYS SG : rot -152:sc= -5.39! USER MOD Single : A 35 THR OG1 : rot -146:sc= -3.97! USER MOD Single : A 36 THR OG1 : rot 180:sc= 0.0909 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ -155:sc= -0.777 (180deg=-1.5) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 SER OG : rot 180:sc= -0.0842 USER MOD Single : A 62 TYR OH : rot 180:sc= -2.58 USER MOD Single : A 63 ASN : amide:sc= -1.31 K(o=-1.3,f=-3.6!) USER MOD Single : A 78 SER OG : rot 180:sc= -0.222 USER MOD Single : A 82 ASN : amide:sc= -0.0517 K(o=-0.052,f=-2.3!) USER MOD Single : A 83 TYR OH : rot -76:sc= -6.03! USER MOD Single : A 86 LYS NZ :NH3+ -160:sc= -0.0346 (180deg=-0.315) USER MOD Single : A 88 CYS SG : rot -23:sc= 0.017 USER MOD Single : A 89 THR OG1 : rot 61:sc= 2.05 USER MOD Single : A 95 CYS SG : rot 180:sc= -4.71! USER MOD Single : A 96 LYS NZ :NH3+ -158:sc= -0.0198 (180deg=-0.188) USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 MET CE :methyl -124:sc= -6.92! (180deg=-13!) USER MOD Single : A 105 TYR OH : rot 180:sc= -1.36 USER MOD Single : A 106 SER OG : rot 180:sc= 0 USER MOD Single : A 109 THR OG1 : rot -46:sc= 1.07 USER MOD Single : A 114 SER OG : rot 180:sc= 0 USER MOD Single : A 119 SER OG : rot 180:sc= 0 USER MOD Single : A 127 HIS : no HD1:sc= -9.21! C(o=-9.2!,f=-13!) USER MOD Single : A 130 ASN : amide:sc= 0 X(o=0,f=0.21) USER MOD Single : A 133 SER OG : rot 180:sc= 0 USER MOD Single : A 134 SER OG : rot -66:sc= 0.0918 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 121.458 -13.860 23.017 1.00 0.00 N ATOM 2 CA GLY A 1 120.362 -12.852 23.364 1.00 0.00 C ATOM 3 C GLY A 1 119.703 -12.083 22.270 1.00 0.00 C ATOM 4 O GLY A 1 118.857 -12.591 21.562 1.00 0.00 O ATOM 0 H1 GLY A 1 121.809 -14.305 23.889 1.00 0.00 H new ATOM 0 H2 GLY A 1 121.071 -14.591 22.386 1.00 0.00 H new ATOM 0 H3 GLY A 1 122.241 -13.370 22.539 1.00 0.00 H new ATOM 0 HA2 GLY A 1 119.581 -13.390 23.902 1.00 0.00 H new ATOM 0 HA3 GLY A 1 120.790 -12.130 24.060 1.00 0.00 H new ATOM 10 N SER A 2 120.070 -10.842 22.101 1.00 0.00 N ATOM 11 CA SER A 2 119.447 -10.021 21.025 1.00 0.00 C ATOM 12 C SER A 2 117.947 -9.887 21.291 1.00 0.00 C ATOM 13 O SER A 2 117.169 -10.765 20.973 1.00 0.00 O ATOM 14 CB SER A 2 119.667 -10.701 19.673 1.00 0.00 C ATOM 15 OG SER A 2 118.591 -10.375 18.804 1.00 0.00 O ATOM 0 H SER A 2 120.774 -10.362 22.661 1.00 0.00 H new ATOM 0 HA SER A 2 119.904 -9.031 21.012 1.00 0.00 H new ATOM 0 HB2 SER A 2 120.612 -10.375 19.239 1.00 0.00 H new ATOM 0 HB3 SER A 2 119.731 -11.781 19.802 1.00 0.00 H new ATOM 0 HG SER A 2 118.729 -10.808 17.936 1.00 0.00 H new ATOM 21 N LYS A 3 117.535 -8.795 21.872 1.00 0.00 N ATOM 22 CA LYS A 3 116.086 -8.605 22.159 1.00 0.00 C ATOM 23 C LYS A 3 115.374 -8.120 20.894 1.00 0.00 C ATOM 24 O LYS A 3 115.123 -6.943 20.728 1.00 0.00 O ATOM 25 CB LYS A 3 115.918 -7.567 23.270 1.00 0.00 C ATOM 26 CG LYS A 3 116.862 -6.390 23.016 1.00 0.00 C ATOM 27 CD LYS A 3 116.205 -5.095 23.494 1.00 0.00 C ATOM 28 CE LYS A 3 117.286 -4.057 23.799 1.00 0.00 C ATOM 29 NZ LYS A 3 116.736 -2.688 23.589 1.00 0.00 N ATOM 0 H LYS A 3 118.139 -8.026 22.161 1.00 0.00 H new ATOM 0 HA LYS A 3 115.652 -9.552 22.479 1.00 0.00 H new ATOM 0 HB2 LYS A 3 114.886 -7.218 23.303 1.00 0.00 H new ATOM 0 HB3 LYS A 3 116.134 -8.017 24.239 1.00 0.00 H new ATOM 0 HG2 LYS A 3 117.805 -6.547 23.540 1.00 0.00 H new ATOM 0 HG3 LYS A 3 117.096 -6.321 21.954 1.00 0.00 H new ATOM 0 HD2 LYS A 3 115.527 -4.715 22.730 1.00 0.00 H new ATOM 0 HD3 LYS A 3 115.607 -5.286 24.385 1.00 0.00 H new ATOM 0 HE2 LYS A 3 117.631 -4.168 24.827 1.00 0.00 H new ATOM 0 HE3 LYS A 3 118.150 -4.216 23.154 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 117.385 -2.141 22.988 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 115.808 -2.754 23.125 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 116.631 -2.211 24.507 1.00 0.00 H new ATOM 43 N VAL A 4 115.049 -9.018 20.003 1.00 0.00 N ATOM 44 CA VAL A 4 114.354 -8.612 18.750 1.00 0.00 C ATOM 45 C VAL A 4 113.274 -7.579 19.075 1.00 0.00 C ATOM 46 O VAL A 4 112.200 -7.914 19.535 1.00 0.00 O ATOM 47 CB VAL A 4 113.707 -9.838 18.105 1.00 0.00 C ATOM 48 CG1 VAL A 4 112.776 -9.389 16.976 1.00 0.00 C ATOM 49 CG2 VAL A 4 114.796 -10.748 17.535 1.00 0.00 C ATOM 0 H VAL A 4 115.236 -10.017 20.090 1.00 0.00 H new ATOM 0 HA VAL A 4 115.077 -8.177 18.060 1.00 0.00 H new ATOM 0 HB VAL A 4 113.133 -10.383 18.855 1.00 0.00 H new ATOM 0 HG11 VAL A 4 112.314 -10.263 16.516 1.00 0.00 H new ATOM 0 HG12 VAL A 4 112.000 -8.740 17.381 1.00 0.00 H new ATOM 0 HG13 VAL A 4 113.350 -8.844 16.226 1.00 0.00 H new ATOM 0 HG21 VAL A 4 114.336 -11.622 17.075 1.00 0.00 H new ATOM 0 HG22 VAL A 4 115.370 -10.203 16.785 1.00 0.00 H new ATOM 0 HG23 VAL A 4 115.460 -11.068 18.338 1.00 0.00 H new ATOM 59 N GLU A 5 113.549 -6.325 18.845 1.00 0.00 N ATOM 60 CA GLU A 5 112.536 -5.274 19.144 1.00 0.00 C ATOM 61 C GLU A 5 111.359 -5.408 18.177 1.00 0.00 C ATOM 62 O GLU A 5 111.537 -5.559 16.985 1.00 0.00 O ATOM 63 CB GLU A 5 113.170 -3.891 18.987 1.00 0.00 C ATOM 64 CG GLU A 5 112.696 -2.981 20.123 1.00 0.00 C ATOM 65 CD GLU A 5 113.500 -3.281 21.388 1.00 0.00 C ATOM 66 OE1 GLU A 5 113.581 -4.442 21.754 1.00 0.00 O ATOM 67 OE2 GLU A 5 114.021 -2.344 21.972 1.00 0.00 O ATOM 0 H GLU A 5 114.431 -5.983 18.463 1.00 0.00 H new ATOM 0 HA GLU A 5 112.181 -5.396 20.167 1.00 0.00 H new ATOM 0 HB2 GLU A 5 114.257 -3.973 19.002 1.00 0.00 H new ATOM 0 HB3 GLU A 5 112.896 -3.461 18.024 1.00 0.00 H new ATOM 0 HG2 GLU A 5 112.819 -1.935 19.841 1.00 0.00 H new ATOM 0 HG3 GLU A 5 111.634 -3.138 20.309 1.00 0.00 H new ATOM 74 N ASP A 6 110.157 -5.353 18.682 1.00 0.00 N ATOM 75 CA ASP A 6 108.970 -5.477 17.790 1.00 0.00 C ATOM 76 C ASP A 6 108.885 -4.245 16.884 1.00 0.00 C ATOM 77 O ASP A 6 109.430 -3.205 17.200 1.00 0.00 O ATOM 78 CB ASP A 6 107.700 -5.579 18.637 1.00 0.00 C ATOM 79 CG ASP A 6 107.242 -7.038 18.696 1.00 0.00 C ATOM 80 OD1 ASP A 6 108.094 -7.901 18.819 1.00 0.00 O ATOM 81 OD2 ASP A 6 106.046 -7.266 18.618 1.00 0.00 O ATOM 0 H ASP A 6 109.946 -5.228 19.672 1.00 0.00 H new ATOM 0 HA ASP A 6 109.067 -6.373 17.178 1.00 0.00 H new ATOM 0 HB2 ASP A 6 107.890 -5.205 19.643 1.00 0.00 H new ATOM 0 HB3 ASP A 6 106.914 -4.957 18.209 1.00 0.00 H new ATOM 86 N PRO A 7 108.208 -4.407 15.777 1.00 0.00 N ATOM 87 CA PRO A 7 108.034 -3.332 14.786 1.00 0.00 C ATOM 88 C PRO A 7 106.952 -2.342 15.226 1.00 0.00 C ATOM 89 O PRO A 7 105.829 -2.715 15.502 1.00 0.00 O ATOM 90 CB PRO A 7 107.600 -4.077 13.524 1.00 0.00 C ATOM 91 CG PRO A 7 107.007 -5.428 13.993 1.00 0.00 C ATOM 92 CD PRO A 7 107.555 -5.680 15.410 1.00 0.00 C ATOM 0 HA PRO A 7 108.939 -2.740 14.646 1.00 0.00 H new ATOM 0 HB2 PRO A 7 106.860 -3.501 12.968 1.00 0.00 H new ATOM 0 HB3 PRO A 7 108.447 -4.236 12.857 1.00 0.00 H new ATOM 0 HG2 PRO A 7 105.918 -5.392 14.000 1.00 0.00 H new ATOM 0 HG3 PRO A 7 107.295 -6.233 13.317 1.00 0.00 H new ATOM 0 HD2 PRO A 7 106.756 -5.933 16.107 1.00 0.00 H new ATOM 0 HD3 PRO A 7 108.263 -6.509 15.422 1.00 0.00 H new ATOM 100 N LYS A 8 107.281 -1.081 15.276 1.00 0.00 N ATOM 101 CA LYS A 8 106.274 -0.060 15.679 1.00 0.00 C ATOM 102 C LYS A 8 106.133 0.976 14.560 1.00 0.00 C ATOM 103 O LYS A 8 105.247 1.807 14.579 1.00 0.00 O ATOM 104 CB LYS A 8 106.730 0.633 16.966 1.00 0.00 C ATOM 105 CG LYS A 8 108.109 1.260 16.749 1.00 0.00 C ATOM 106 CD LYS A 8 109.028 0.885 17.913 1.00 0.00 C ATOM 107 CE LYS A 8 108.522 1.544 19.198 1.00 0.00 C ATOM 108 NZ LYS A 8 108.497 3.024 19.021 1.00 0.00 N ATOM 0 H LYS A 8 108.206 -0.713 15.055 1.00 0.00 H new ATOM 0 HA LYS A 8 105.313 -0.544 15.854 1.00 0.00 H new ATOM 0 HB2 LYS A 8 106.011 1.401 17.252 1.00 0.00 H new ATOM 0 HB3 LYS A 8 106.771 -0.086 17.784 1.00 0.00 H new ATOM 0 HG2 LYS A 8 108.535 0.911 15.808 1.00 0.00 H new ATOM 0 HG3 LYS A 8 108.020 2.344 16.676 1.00 0.00 H new ATOM 0 HD2 LYS A 8 109.055 -0.198 18.034 1.00 0.00 H new ATOM 0 HD3 LYS A 8 110.048 1.208 17.703 1.00 0.00 H new ATOM 0 HE2 LYS A 8 107.523 1.179 19.438 1.00 0.00 H new ATOM 0 HE3 LYS A 8 109.168 1.278 20.035 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 108.505 3.485 19.953 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 109.333 3.323 18.479 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 107.635 3.298 18.507 1.00 0.00 H new ATOM 122 N ASP A 9 107.000 0.927 13.583 1.00 0.00 N ATOM 123 CA ASP A 9 106.922 1.903 12.459 1.00 0.00 C ATOM 124 C ASP A 9 108.258 1.921 11.709 1.00 0.00 C ATOM 125 O ASP A 9 109.250 1.401 12.180 1.00 0.00 O ATOM 126 CB ASP A 9 106.630 3.300 13.012 1.00 0.00 C ATOM 127 CG ASP A 9 107.424 3.516 14.302 1.00 0.00 C ATOM 128 OD1 ASP A 9 108.364 2.771 14.526 1.00 0.00 O ATOM 129 OD2 ASP A 9 107.078 4.421 15.042 1.00 0.00 O ATOM 0 H ASP A 9 107.761 0.251 13.516 1.00 0.00 H new ATOM 0 HA ASP A 9 106.123 1.609 11.778 1.00 0.00 H new ATOM 0 HB2 ASP A 9 106.899 4.057 12.276 1.00 0.00 H new ATOM 0 HB3 ASP A 9 105.563 3.410 13.207 1.00 0.00 H new ATOM 134 N PHE A 10 108.294 2.518 10.548 1.00 0.00 N ATOM 135 CA PHE A 10 109.569 2.571 9.777 1.00 0.00 C ATOM 136 C PHE A 10 110.711 2.945 10.727 1.00 0.00 C ATOM 137 O PHE A 10 110.471 3.397 11.828 1.00 0.00 O ATOM 138 CB PHE A 10 109.450 3.635 8.682 1.00 0.00 C ATOM 139 CG PHE A 10 108.819 3.035 7.447 1.00 0.00 C ATOM 140 CD1 PHE A 10 107.442 2.784 7.416 1.00 0.00 C ATOM 141 CD2 PHE A 10 109.610 2.736 6.330 1.00 0.00 C ATOM 142 CE1 PHE A 10 106.855 2.236 6.269 1.00 0.00 C ATOM 143 CE2 PHE A 10 109.023 2.186 5.184 1.00 0.00 C ATOM 144 CZ PHE A 10 107.645 1.937 5.154 1.00 0.00 C ATOM 0 H PHE A 10 107.497 2.971 10.101 1.00 0.00 H new ATOM 0 HA PHE A 10 109.770 1.601 9.323 1.00 0.00 H new ATOM 0 HB2 PHE A 10 108.848 4.471 9.039 1.00 0.00 H new ATOM 0 HB3 PHE A 10 110.436 4.032 8.441 1.00 0.00 H new ATOM 0 HD1 PHE A 10 106.832 3.013 8.277 1.00 0.00 H new ATOM 0 HD2 PHE A 10 110.672 2.930 6.353 1.00 0.00 H new ATOM 0 HE1 PHE A 10 105.792 2.044 6.245 1.00 0.00 H new ATOM 0 HE2 PHE A 10 109.633 1.954 4.323 1.00 0.00 H new ATOM 0 HZ PHE A 10 107.192 1.514 4.270 1.00 0.00 H new ATOM 154 N PRO A 11 111.921 2.751 10.269 1.00 0.00 N ATOM 155 CA PRO A 11 113.123 3.068 11.060 1.00 0.00 C ATOM 156 C PRO A 11 113.374 4.578 11.053 1.00 0.00 C ATOM 157 O PRO A 11 113.020 5.269 10.120 1.00 0.00 O ATOM 158 CB PRO A 11 114.240 2.318 10.331 1.00 0.00 C ATOM 159 CG PRO A 11 113.742 2.088 8.885 1.00 0.00 C ATOM 160 CD PRO A 11 112.205 2.199 8.928 1.00 0.00 C ATOM 0 HA PRO A 11 113.043 2.779 12.108 1.00 0.00 H new ATOM 0 HB2 PRO A 11 115.164 2.897 10.336 1.00 0.00 H new ATOM 0 HB3 PRO A 11 114.456 1.369 10.823 1.00 0.00 H new ATOM 0 HG2 PRO A 11 114.165 2.829 8.207 1.00 0.00 H new ATOM 0 HG3 PRO A 11 114.050 1.108 8.520 1.00 0.00 H new ATOM 0 HD2 PRO A 11 111.830 2.853 8.140 1.00 0.00 H new ATOM 0 HD3 PRO A 11 111.731 1.227 8.788 1.00 0.00 H new ATOM 168 N SER A 12 113.977 5.096 12.087 1.00 0.00 N ATOM 169 CA SER A 12 114.242 6.562 12.138 1.00 0.00 C ATOM 170 C SER A 12 115.253 6.943 11.054 1.00 0.00 C ATOM 171 O SER A 12 115.263 8.056 10.568 1.00 0.00 O ATOM 172 CB SER A 12 114.801 6.931 13.512 1.00 0.00 C ATOM 173 OG SER A 12 115.773 7.957 13.362 1.00 0.00 O ATOM 0 H SER A 12 114.298 4.568 12.899 1.00 0.00 H new ATOM 0 HA SER A 12 113.311 7.103 11.966 1.00 0.00 H new ATOM 0 HB2 SER A 12 113.997 7.268 14.166 1.00 0.00 H new ATOM 0 HB3 SER A 12 115.249 6.056 13.983 1.00 0.00 H new ATOM 0 HG SER A 12 116.133 8.198 14.241 1.00 0.00 H new ATOM 179 N GLU A 13 116.104 6.031 10.675 1.00 0.00 N ATOM 180 CA GLU A 13 117.114 6.346 9.624 1.00 0.00 C ATOM 181 C GLU A 13 116.420 6.488 8.266 1.00 0.00 C ATOM 182 O GLU A 13 117.037 6.828 7.276 1.00 0.00 O ATOM 183 CB GLU A 13 118.143 5.217 9.552 1.00 0.00 C ATOM 184 CG GLU A 13 119.408 5.722 8.856 1.00 0.00 C ATOM 185 CD GLU A 13 120.637 5.316 9.669 1.00 0.00 C ATOM 186 OE1 GLU A 13 120.514 4.414 10.481 1.00 0.00 O ATOM 187 OE2 GLU A 13 121.681 5.915 9.468 1.00 0.00 O ATOM 0 H GLU A 13 116.145 5.082 11.046 1.00 0.00 H new ATOM 0 HA GLU A 13 117.614 7.282 9.874 1.00 0.00 H new ATOM 0 HB2 GLU A 13 118.383 4.865 10.555 1.00 0.00 H new ATOM 0 HB3 GLU A 13 117.730 4.368 9.007 1.00 0.00 H new ATOM 0 HG2 GLU A 13 119.472 5.308 7.850 1.00 0.00 H new ATOM 0 HG3 GLU A 13 119.370 6.806 8.752 1.00 0.00 H new ATOM 194 N LEU A 14 115.143 6.229 8.210 1.00 0.00 N ATOM 195 CA LEU A 14 114.414 6.348 6.915 1.00 0.00 C ATOM 196 C LEU A 14 113.206 7.273 7.088 1.00 0.00 C ATOM 197 O LEU A 14 112.454 7.504 6.162 1.00 0.00 O ATOM 198 CB LEU A 14 113.935 4.963 6.475 1.00 0.00 C ATOM 199 CG LEU A 14 113.816 4.924 4.951 1.00 0.00 C ATOM 200 CD1 LEU A 14 115.204 5.061 4.325 1.00 0.00 C ATOM 201 CD2 LEU A 14 113.195 3.591 4.526 1.00 0.00 C ATOM 0 H LEU A 14 114.572 5.940 9.005 1.00 0.00 H new ATOM 0 HA LEU A 14 115.081 6.763 6.159 1.00 0.00 H new ATOM 0 HB2 LEU A 14 114.635 4.200 6.815 1.00 0.00 H new ATOM 0 HB3 LEU A 14 112.971 4.738 6.931 1.00 0.00 H new ATOM 0 HG LEU A 14 113.185 5.746 4.614 1.00 0.00 H new ATOM 0 HD11 LEU A 14 115.118 5.033 3.239 1.00 0.00 H new ATOM 0 HD12 LEU A 14 115.649 6.009 4.629 1.00 0.00 H new ATOM 0 HD13 LEU A 14 115.837 4.239 4.660 1.00 0.00 H new ATOM 0 HD21 LEU A 14 113.109 3.560 3.440 1.00 0.00 H new ATOM 0 HD22 LEU A 14 113.828 2.771 4.863 1.00 0.00 H new ATOM 0 HD23 LEU A 14 112.205 3.492 4.972 1.00 0.00 H new ATOM 213 N LEU A 15 113.012 7.806 8.265 1.00 0.00 N ATOM 214 CA LEU A 15 111.852 8.714 8.487 1.00 0.00 C ATOM 215 C LEU A 15 112.260 10.149 8.154 1.00 0.00 C ATOM 216 O LEU A 15 111.595 11.097 8.525 1.00 0.00 O ATOM 217 CB LEU A 15 111.412 8.631 9.950 1.00 0.00 C ATOM 218 CG LEU A 15 110.849 7.237 10.234 1.00 0.00 C ATOM 219 CD1 LEU A 15 110.997 6.920 11.722 1.00 0.00 C ATOM 220 CD2 LEU A 15 109.369 7.196 9.848 1.00 0.00 C ATOM 0 H LEU A 15 113.606 7.652 9.080 1.00 0.00 H new ATOM 0 HA LEU A 15 111.025 8.414 7.844 1.00 0.00 H new ATOM 0 HB2 LEU A 15 112.257 8.835 10.607 1.00 0.00 H new ATOM 0 HB3 LEU A 15 110.657 9.389 10.158 1.00 0.00 H new ATOM 0 HG LEU A 15 111.397 6.498 9.650 1.00 0.00 H new ATOM 0 HD11 LEU A 15 110.596 5.927 11.924 1.00 0.00 H new ATOM 0 HD12 LEU A 15 112.051 6.948 11.997 1.00 0.00 H new ATOM 0 HD13 LEU A 15 110.449 7.659 12.308 1.00 0.00 H new ATOM 0 HD21 LEU A 15 108.968 6.203 10.050 1.00 0.00 H new ATOM 0 HD22 LEU A 15 108.820 7.935 10.432 1.00 0.00 H new ATOM 0 HD23 LEU A 15 109.263 7.421 8.787 1.00 0.00 H new ATOM 232 N SER A 16 113.347 10.316 7.453 1.00 0.00 N ATOM 233 CA SER A 16 113.798 11.689 7.090 1.00 0.00 C ATOM 234 C SER A 16 113.074 12.144 5.822 1.00 0.00 C ATOM 235 O SER A 16 113.094 13.305 5.464 1.00 0.00 O ATOM 236 CB SER A 16 115.307 11.681 6.841 1.00 0.00 C ATOM 237 OG SER A 16 115.876 12.872 7.371 1.00 0.00 O ATOM 0 H SER A 16 113.943 9.560 7.115 1.00 0.00 H new ATOM 0 HA SER A 16 113.568 12.375 7.906 1.00 0.00 H new ATOM 0 HB2 SER A 16 115.760 10.808 7.310 1.00 0.00 H new ATOM 0 HB3 SER A 16 115.511 11.611 5.773 1.00 0.00 H new ATOM 0 HG SER A 16 116.843 12.870 7.215 1.00 0.00 H new ATOM 243 N PHE A 17 112.430 11.236 5.139 1.00 0.00 N ATOM 244 CA PHE A 17 111.699 11.616 3.897 1.00 0.00 C ATOM 245 C PHE A 17 110.560 10.624 3.647 1.00 0.00 C ATOM 246 O PHE A 17 110.643 9.774 2.783 1.00 0.00 O ATOM 247 CB PHE A 17 112.658 11.603 2.701 1.00 0.00 C ATOM 248 CG PHE A 17 113.667 10.484 2.847 1.00 0.00 C ATOM 249 CD1 PHE A 17 113.332 9.309 3.534 1.00 0.00 C ATOM 250 CD2 PHE A 17 114.942 10.624 2.285 1.00 0.00 C ATOM 251 CE1 PHE A 17 114.271 8.280 3.658 1.00 0.00 C ATOM 252 CE2 PHE A 17 115.880 9.594 2.410 1.00 0.00 C ATOM 253 CZ PHE A 17 115.545 8.421 3.098 1.00 0.00 C ATOM 0 H PHE A 17 112.379 10.248 5.388 1.00 0.00 H new ATOM 0 HA PHE A 17 111.290 12.619 4.018 1.00 0.00 H new ATOM 0 HB2 PHE A 17 112.095 11.475 1.776 1.00 0.00 H new ATOM 0 HB3 PHE A 17 113.174 12.560 2.630 1.00 0.00 H new ATOM 0 HD1 PHE A 17 112.349 9.198 3.967 1.00 0.00 H new ATOM 0 HD2 PHE A 17 115.201 11.528 1.754 1.00 0.00 H new ATOM 0 HE1 PHE A 17 114.012 7.375 4.187 1.00 0.00 H new ATOM 0 HE2 PHE A 17 116.863 9.703 1.976 1.00 0.00 H new ATOM 0 HZ PHE A 17 116.270 7.626 3.196 1.00 0.00 H new ATOM 263 N LEU A 18 109.495 10.725 4.396 1.00 0.00 N ATOM 264 CA LEU A 18 108.356 9.786 4.198 1.00 0.00 C ATOM 265 C LEU A 18 107.066 10.582 3.990 1.00 0.00 C ATOM 266 O LEU A 18 107.067 11.797 4.000 1.00 0.00 O ATOM 267 CB LEU A 18 108.209 8.893 5.432 1.00 0.00 C ATOM 268 CG LEU A 18 108.789 7.510 5.135 1.00 0.00 C ATOM 269 CD1 LEU A 18 108.680 6.631 6.382 1.00 0.00 C ATOM 270 CD2 LEU A 18 108.008 6.864 3.988 1.00 0.00 C ATOM 0 H LEU A 18 109.366 11.416 5.135 1.00 0.00 H new ATOM 0 HA LEU A 18 108.546 9.167 3.321 1.00 0.00 H new ATOM 0 HB2 LEU A 18 108.726 9.341 6.281 1.00 0.00 H new ATOM 0 HB3 LEU A 18 107.158 8.806 5.708 1.00 0.00 H new ATOM 0 HG LEU A 18 109.837 7.610 4.851 1.00 0.00 H new ATOM 0 HD11 LEU A 18 109.094 5.645 6.170 1.00 0.00 H new ATOM 0 HD12 LEU A 18 109.236 7.089 7.200 1.00 0.00 H new ATOM 0 HD13 LEU A 18 107.633 6.531 6.666 1.00 0.00 H new ATOM 0 HD21 LEU A 18 108.422 5.878 3.776 1.00 0.00 H new ATOM 0 HD22 LEU A 18 106.960 6.765 4.272 1.00 0.00 H new ATOM 0 HD23 LEU A 18 108.085 7.489 3.098 1.00 0.00 H new ATOM 282 N SER A 19 105.965 9.907 3.802 1.00 0.00 N ATOM 283 CA SER A 19 104.677 10.625 3.596 1.00 0.00 C ATOM 284 C SER A 19 103.954 10.772 4.937 1.00 0.00 C ATOM 285 O SER A 19 103.320 11.773 5.204 1.00 0.00 O ATOM 286 CB SER A 19 103.799 9.828 2.628 1.00 0.00 C ATOM 287 OG SER A 19 102.518 10.441 2.543 1.00 0.00 O ATOM 0 H SER A 19 105.903 8.889 3.782 1.00 0.00 H new ATOM 0 HA SER A 19 104.874 11.613 3.180 1.00 0.00 H new ATOM 0 HB2 SER A 19 104.264 9.792 1.643 1.00 0.00 H new ATOM 0 HB3 SER A 19 103.700 8.798 2.972 1.00 0.00 H new ATOM 0 HG SER A 19 101.953 9.934 1.923 1.00 0.00 H new ATOM 293 N HIS A 20 104.046 9.781 5.782 1.00 0.00 N ATOM 294 CA HIS A 20 103.365 9.867 7.104 1.00 0.00 C ATOM 295 C HIS A 20 101.889 10.209 6.895 1.00 0.00 C ATOM 296 O HIS A 20 101.423 11.260 7.288 1.00 0.00 O ATOM 297 CB HIS A 20 104.028 10.957 7.948 1.00 0.00 C ATOM 298 CG HIS A 20 105.521 10.777 7.917 1.00 0.00 C ATOM 299 ND1 HIS A 20 106.153 9.736 8.579 1.00 0.00 N ATOM 300 CD2 HIS A 20 106.519 11.496 7.309 1.00 0.00 C ATOM 301 CE1 HIS A 20 107.475 9.857 8.356 1.00 0.00 C ATOM 302 NE2 HIS A 20 107.752 10.913 7.587 1.00 0.00 N ATOM 0 H HIS A 20 104.562 8.918 5.614 1.00 0.00 H new ATOM 0 HA HIS A 20 103.446 8.910 7.619 1.00 0.00 H new ATOM 0 HB2 HIS A 20 103.762 11.942 7.564 1.00 0.00 H new ATOM 0 HB3 HIS A 20 103.666 10.907 8.975 1.00 0.00 H new ATOM 0 HD2 HIS A 20 106.370 12.380 6.706 1.00 0.00 H new ATOM 0 HE1 HIS A 20 108.220 9.183 8.751 1.00 0.00 H new ATOM 0 HE2 HIS A 20 108.670 11.225 7.271 1.00 0.00 H new ATOM 310 N ALA A 21 101.148 9.329 6.279 1.00 0.00 N ATOM 311 CA ALA A 21 99.703 9.606 6.045 1.00 0.00 C ATOM 312 C ALA A 21 99.032 8.358 5.468 1.00 0.00 C ATOM 313 O ALA A 21 99.645 7.580 4.766 1.00 0.00 O ATOM 314 CB ALA A 21 99.558 10.767 5.059 1.00 0.00 C ATOM 0 H ALA A 21 101.481 8.431 5.928 1.00 0.00 H new ATOM 0 HA ALA A 21 99.226 9.871 6.989 1.00 0.00 H new ATOM 0 HB1 ALA A 21 98.501 10.969 4.888 1.00 0.00 H new ATOM 0 HB2 ALA A 21 100.036 11.656 5.471 1.00 0.00 H new ATOM 0 HB3 ALA A 21 100.034 10.504 4.115 1.00 0.00 H new ATOM 320 N VAL A 22 97.775 8.163 5.757 1.00 0.00 N ATOM 321 CA VAL A 22 97.064 6.966 5.225 1.00 0.00 C ATOM 322 C VAL A 22 96.070 7.402 4.149 1.00 0.00 C ATOM 323 O VAL A 22 96.242 7.122 2.979 1.00 0.00 O ATOM 324 CB VAL A 22 96.315 6.270 6.364 1.00 0.00 C ATOM 325 CG1 VAL A 22 96.149 4.786 6.035 1.00 0.00 C ATOM 326 CG2 VAL A 22 97.111 6.417 7.662 1.00 0.00 C ATOM 0 H VAL A 22 97.209 8.781 6.339 1.00 0.00 H new ATOM 0 HA VAL A 22 97.787 6.275 4.792 1.00 0.00 H new ATOM 0 HB VAL A 22 95.333 6.727 6.485 1.00 0.00 H new ATOM 0 HG11 VAL A 22 95.616 4.291 6.846 1.00 0.00 H new ATOM 0 HG12 VAL A 22 95.582 4.680 5.110 1.00 0.00 H new ATOM 0 HG13 VAL A 22 97.131 4.328 5.914 1.00 0.00 H new ATOM 0 HG21 VAL A 22 96.578 5.922 8.474 1.00 0.00 H new ATOM 0 HG22 VAL A 22 98.093 5.960 7.540 1.00 0.00 H new ATOM 0 HG23 VAL A 22 97.230 7.474 7.898 1.00 0.00 H new ATOM 336 N PHE A 23 95.032 8.084 4.536 1.00 0.00 N ATOM 337 CA PHE A 23 94.022 8.540 3.542 1.00 0.00 C ATOM 338 C PHE A 23 94.417 9.920 3.008 1.00 0.00 C ATOM 339 O PHE A 23 93.614 10.831 2.964 1.00 0.00 O ATOM 340 CB PHE A 23 92.650 8.629 4.211 1.00 0.00 C ATOM 341 CG PHE A 23 92.112 7.238 4.449 1.00 0.00 C ATOM 342 CD1 PHE A 23 92.652 6.445 5.471 1.00 0.00 C ATOM 343 CD2 PHE A 23 91.074 6.741 3.652 1.00 0.00 C ATOM 344 CE1 PHE A 23 92.154 5.157 5.694 1.00 0.00 C ATOM 345 CE2 PHE A 23 90.576 5.451 3.876 1.00 0.00 C ATOM 346 CZ PHE A 23 91.115 4.660 4.897 1.00 0.00 C ATOM 0 H PHE A 23 94.838 8.347 5.502 1.00 0.00 H new ATOM 0 HA PHE A 23 93.979 7.828 2.717 1.00 0.00 H new ATOM 0 HB2 PHE A 23 92.729 9.166 5.156 1.00 0.00 H new ATOM 0 HB3 PHE A 23 91.963 9.193 3.581 1.00 0.00 H new ATOM 0 HD1 PHE A 23 93.453 6.828 6.086 1.00 0.00 H new ATOM 0 HD2 PHE A 23 90.657 7.352 2.865 1.00 0.00 H new ATOM 0 HE1 PHE A 23 92.571 4.546 6.481 1.00 0.00 H new ATOM 0 HE2 PHE A 23 89.776 5.067 3.261 1.00 0.00 H new ATOM 0 HZ PHE A 23 90.730 3.666 5.070 1.00 0.00 H new ATOM 356 N SER A 24 95.646 10.083 2.604 1.00 0.00 N ATOM 357 CA SER A 24 96.088 11.406 2.075 1.00 0.00 C ATOM 358 C SER A 24 95.180 11.818 0.914 1.00 0.00 C ATOM 359 O SER A 24 94.546 10.993 0.287 1.00 0.00 O ATOM 360 CB SER A 24 97.531 11.300 1.582 1.00 0.00 C ATOM 361 OG SER A 24 98.061 12.607 1.401 1.00 0.00 O ATOM 0 H SER A 24 96.364 9.359 2.617 1.00 0.00 H new ATOM 0 HA SER A 24 96.029 12.154 2.866 1.00 0.00 H new ATOM 0 HB2 SER A 24 98.134 10.747 2.302 1.00 0.00 H new ATOM 0 HB3 SER A 24 97.567 10.747 0.644 1.00 0.00 H new ATOM 0 HG SER A 24 98.987 12.544 1.086 1.00 0.00 H new ATOM 367 N ASN A 25 95.115 13.088 0.619 1.00 0.00 N ATOM 368 CA ASN A 25 94.249 13.549 -0.501 1.00 0.00 C ATOM 369 C ASN A 25 95.076 13.628 -1.787 1.00 0.00 C ATOM 370 O ASN A 25 94.548 13.800 -2.867 1.00 0.00 O ATOM 371 CB ASN A 25 93.680 14.932 -0.176 1.00 0.00 C ATOM 372 CG ASN A 25 94.777 15.809 0.430 1.00 0.00 C ATOM 373 OD1 ASN A 25 94.984 15.778 1.718 1.00 0.00 O flip ATOM 374 ND2 ASN A 25 95.455 16.530 -0.277 1.00 0.00 N flip ATOM 0 H ASN A 25 95.625 13.825 1.106 1.00 0.00 H new ATOM 0 HA ASN A 25 93.429 12.843 -0.637 1.00 0.00 H new ATOM 0 HB2 ASN A 25 93.287 15.396 -1.081 1.00 0.00 H new ATOM 0 HB3 ASN A 25 92.848 14.839 0.522 1.00 0.00 H new ATOM 0 HD21 ASN A 25 95.294 16.555 -1.284 1.00 0.00 H new ATOM 0 HD22 ASN A 25 96.185 17.110 0.137 1.00 0.00 H new ATOM 381 N ARG A 26 96.371 13.500 -1.679 1.00 0.00 N ATOM 382 CA ARG A 26 97.230 13.566 -2.896 1.00 0.00 C ATOM 383 C ARG A 26 97.368 12.165 -3.496 1.00 0.00 C ATOM 384 O ARG A 26 97.034 11.177 -2.873 1.00 0.00 O ATOM 385 CB ARG A 26 98.612 14.099 -2.515 1.00 0.00 C ATOM 386 CG ARG A 26 98.792 15.505 -3.092 1.00 0.00 C ATOM 387 CD ARG A 26 99.942 16.209 -2.368 1.00 0.00 C ATOM 388 NE ARG A 26 101.087 15.267 -2.227 1.00 0.00 N ATOM 389 CZ ARG A 26 102.153 15.631 -1.567 1.00 0.00 C ATOM 390 NH1 ARG A 26 102.845 16.664 -1.965 1.00 0.00 N ATOM 391 NH2 ARG A 26 102.526 14.963 -0.510 1.00 0.00 N ATOM 0 H ARG A 26 96.871 13.353 -0.802 1.00 0.00 H new ATOM 0 HA ARG A 26 96.775 14.232 -3.629 1.00 0.00 H new ATOM 0 HB2 ARG A 26 98.718 14.123 -1.430 1.00 0.00 H new ATOM 0 HB3 ARG A 26 99.388 13.435 -2.897 1.00 0.00 H new ATOM 0 HG2 ARG A 26 99.001 15.447 -4.160 1.00 0.00 H new ATOM 0 HG3 ARG A 26 97.871 16.077 -2.978 1.00 0.00 H new ATOM 0 HD2 ARG A 26 100.251 17.093 -2.926 1.00 0.00 H new ATOM 0 HD3 ARG A 26 99.614 16.550 -1.386 1.00 0.00 H new ATOM 0 HE ARG A 26 101.038 14.338 -2.646 1.00 0.00 H new ATOM 0 HH11 ARG A 26 102.553 17.186 -2.791 1.00 0.00 H new ATOM 0 HH12 ARG A 26 103.678 16.949 -1.450 1.00 0.00 H new ATOM 0 HH21 ARG A 26 101.985 14.156 -0.199 1.00 0.00 H new ATOM 0 HH22 ARG A 26 103.359 15.248 0.005 1.00 0.00 H new ATOM 405 N THR A 27 97.858 12.071 -4.702 1.00 0.00 N ATOM 406 CA THR A 27 98.013 10.732 -5.339 1.00 0.00 C ATOM 407 C THR A 27 99.449 10.562 -5.840 1.00 0.00 C ATOM 408 O THR A 27 99.913 11.296 -6.690 1.00 0.00 O ATOM 409 CB THR A 27 97.045 10.615 -6.519 1.00 0.00 C ATOM 410 OG1 THR A 27 97.504 11.431 -7.588 1.00 0.00 O ATOM 411 CG2 THR A 27 95.650 11.072 -6.086 1.00 0.00 C ATOM 0 H THR A 27 98.157 12.862 -5.273 1.00 0.00 H new ATOM 0 HA THR A 27 97.792 9.956 -4.606 1.00 0.00 H new ATOM 0 HB THR A 27 96.997 9.577 -6.849 1.00 0.00 H new ATOM 0 HG1 THR A 27 98.352 11.853 -7.337 1.00 0.00 H new ATOM 0 HG21 THR A 27 94.962 10.988 -6.927 1.00 0.00 H new ATOM 0 HG22 THR A 27 95.299 10.444 -5.267 1.00 0.00 H new ATOM 0 HG23 THR A 27 95.693 12.110 -5.755 1.00 0.00 H new ATOM 419 N LEU A 28 100.156 9.594 -5.321 1.00 0.00 N ATOM 420 CA LEU A 28 101.561 9.371 -5.768 1.00 0.00 C ATOM 421 C LEU A 28 101.699 7.941 -6.298 1.00 0.00 C ATOM 422 O LEU A 28 101.046 7.032 -5.828 1.00 0.00 O ATOM 423 CB LEU A 28 102.522 9.575 -4.591 1.00 0.00 C ATOM 424 CG LEU A 28 101.799 9.289 -3.271 1.00 0.00 C ATOM 425 CD1 LEU A 28 102.822 8.905 -2.200 1.00 0.00 C ATOM 426 CD2 LEU A 28 101.042 10.542 -2.825 1.00 0.00 C ATOM 0 H LEU A 28 99.821 8.948 -4.606 1.00 0.00 H new ATOM 0 HA LEU A 28 101.807 10.083 -6.556 1.00 0.00 H new ATOM 0 HB2 LEU A 28 103.383 8.914 -4.695 1.00 0.00 H new ATOM 0 HB3 LEU A 28 102.902 10.597 -4.593 1.00 0.00 H new ATOM 0 HG LEU A 28 101.096 8.468 -3.412 1.00 0.00 H new ATOM 0 HD11 LEU A 28 102.307 8.702 -1.261 1.00 0.00 H new ATOM 0 HD12 LEU A 28 103.364 8.014 -2.517 1.00 0.00 H new ATOM 0 HD13 LEU A 28 103.525 9.726 -2.058 1.00 0.00 H new ATOM 0 HD21 LEU A 28 100.527 10.341 -1.886 1.00 0.00 H new ATOM 0 HD22 LEU A 28 101.746 11.362 -2.684 1.00 0.00 H new ATOM 0 HD23 LEU A 28 100.313 10.817 -3.587 1.00 0.00 H new ATOM 438 N ALA A 29 102.541 7.736 -7.274 1.00 0.00 N ATOM 439 CA ALA A 29 102.713 6.363 -7.832 1.00 0.00 C ATOM 440 C ALA A 29 103.955 5.710 -7.219 1.00 0.00 C ATOM 441 O ALA A 29 104.539 4.807 -7.785 1.00 0.00 O ATOM 442 CB ALA A 29 102.877 6.452 -9.350 1.00 0.00 C ATOM 0 H ALA A 29 103.116 8.457 -7.709 1.00 0.00 H new ATOM 0 HA ALA A 29 101.836 5.760 -7.594 1.00 0.00 H new ATOM 0 HB1 ALA A 29 103.003 5.451 -9.762 1.00 0.00 H new ATOM 0 HB2 ALA A 29 101.991 6.914 -9.785 1.00 0.00 H new ATOM 0 HB3 ALA A 29 103.754 7.054 -9.587 1.00 0.00 H new ATOM 448 N CYS A 30 104.362 6.154 -6.061 1.00 0.00 N ATOM 449 CA CYS A 30 105.560 5.553 -5.407 1.00 0.00 C ATOM 450 C CYS A 30 105.237 5.278 -3.938 1.00 0.00 C ATOM 451 O CYS A 30 104.713 6.125 -3.241 1.00 0.00 O ATOM 452 CB CYS A 30 106.740 6.525 -5.501 1.00 0.00 C ATOM 453 SG CYS A 30 108.086 5.946 -4.437 1.00 0.00 S ATOM 0 H CYS A 30 103.916 6.908 -5.539 1.00 0.00 H new ATOM 0 HA CYS A 30 105.825 4.622 -5.907 1.00 0.00 H new ATOM 0 HB2 CYS A 30 107.084 6.598 -6.533 1.00 0.00 H new ATOM 0 HB3 CYS A 30 106.427 7.524 -5.198 1.00 0.00 H new ATOM 0 HG CYS A 30 108.799 6.961 -4.049 1.00 0.00 H new ATOM 459 N PHE A 31 105.534 4.100 -3.459 1.00 0.00 N ATOM 460 CA PHE A 31 105.227 3.788 -2.034 1.00 0.00 C ATOM 461 C PHE A 31 106.330 2.914 -1.431 1.00 0.00 C ATOM 462 O PHE A 31 107.108 2.293 -2.133 1.00 0.00 O ATOM 463 CB PHE A 31 103.898 3.033 -1.945 1.00 0.00 C ATOM 464 CG PHE A 31 102.879 3.647 -2.876 1.00 0.00 C ATOM 465 CD1 PHE A 31 103.051 3.562 -4.263 1.00 0.00 C ATOM 466 CD2 PHE A 31 101.754 4.292 -2.349 1.00 0.00 C ATOM 467 CE1 PHE A 31 102.101 4.124 -5.121 1.00 0.00 C ATOM 468 CE2 PHE A 31 100.803 4.852 -3.206 1.00 0.00 C ATOM 469 CZ PHE A 31 100.974 4.769 -4.592 1.00 0.00 C ATOM 0 H PHE A 31 105.972 3.346 -3.988 1.00 0.00 H new ATOM 0 HA PHE A 31 105.163 4.725 -1.481 1.00 0.00 H new ATOM 0 HB2 PHE A 31 104.050 1.985 -2.203 1.00 0.00 H new ATOM 0 HB3 PHE A 31 103.526 3.059 -0.921 1.00 0.00 H new ATOM 0 HD1 PHE A 31 103.918 3.062 -4.670 1.00 0.00 H new ATOM 0 HD2 PHE A 31 101.621 4.357 -1.279 1.00 0.00 H new ATOM 0 HE1 PHE A 31 102.235 4.061 -6.191 1.00 0.00 H new ATOM 0 HE2 PHE A 31 99.935 5.349 -2.798 1.00 0.00 H new ATOM 0 HZ PHE A 31 100.238 5.201 -5.254 1.00 0.00 H new ATOM 479 N ALA A 32 106.386 2.853 -0.128 1.00 0.00 N ATOM 480 CA ALA A 32 107.415 2.015 0.548 1.00 0.00 C ATOM 481 C ALA A 32 106.725 1.135 1.590 1.00 0.00 C ATOM 482 O ALA A 32 106.057 1.621 2.481 1.00 0.00 O ATOM 483 CB ALA A 32 108.441 2.913 1.241 1.00 0.00 C ATOM 0 H ALA A 32 105.757 3.352 0.501 1.00 0.00 H new ATOM 0 HA ALA A 32 107.925 1.394 -0.188 1.00 0.00 H new ATOM 0 HB1 ALA A 32 109.191 2.295 1.734 1.00 0.00 H new ATOM 0 HB2 ALA A 32 108.925 3.551 0.501 1.00 0.00 H new ATOM 0 HB3 ALA A 32 107.939 3.534 1.982 1.00 0.00 H new ATOM 489 N ILE A 33 106.873 -0.156 1.486 1.00 0.00 N ATOM 490 CA ILE A 33 106.215 -1.058 2.472 1.00 0.00 C ATOM 491 C ILE A 33 107.221 -1.467 3.548 1.00 0.00 C ATOM 492 O ILE A 33 108.346 -1.823 3.258 1.00 0.00 O ATOM 493 CB ILE A 33 105.706 -2.311 1.759 1.00 0.00 C ATOM 494 CG1 ILE A 33 104.909 -1.908 0.516 1.00 0.00 C ATOM 495 CG2 ILE A 33 104.808 -3.109 2.707 1.00 0.00 C ATOM 496 CD1 ILE A 33 103.835 -0.890 0.901 1.00 0.00 C ATOM 0 H ILE A 33 107.419 -0.625 0.763 1.00 0.00 H new ATOM 0 HA ILE A 33 105.379 -0.533 2.935 1.00 0.00 H new ATOM 0 HB ILE A 33 106.555 -2.926 1.459 1.00 0.00 H new ATOM 0 HG12 ILE A 33 105.576 -1.482 -0.233 1.00 0.00 H new ATOM 0 HG13 ILE A 33 104.446 -2.787 0.068 1.00 0.00 H new ATOM 0 HG21 ILE A 33 104.445 -4.002 2.199 1.00 0.00 H new ATOM 0 HG22 ILE A 33 105.378 -3.400 3.589 1.00 0.00 H new ATOM 0 HG23 ILE A 33 103.960 -2.494 3.009 1.00 0.00 H new ATOM 0 HD11 ILE A 33 103.269 -0.605 0.014 1.00 0.00 H new ATOM 0 HD12 ILE A 33 103.161 -1.332 1.635 1.00 0.00 H new ATOM 0 HD13 ILE A 33 104.308 -0.006 1.329 1.00 0.00 H new ATOM 508 N TYR A 34 106.819 -1.439 4.787 1.00 0.00 N ATOM 509 CA TYR A 34 107.742 -1.849 5.880 1.00 0.00 C ATOM 510 C TYR A 34 107.180 -3.108 6.531 1.00 0.00 C ATOM 511 O TYR A 34 106.340 -3.044 7.406 1.00 0.00 O ATOM 512 CB TYR A 34 107.849 -0.737 6.925 1.00 0.00 C ATOM 513 CG TYR A 34 108.710 -1.212 8.071 1.00 0.00 C ATOM 514 CD1 TYR A 34 109.815 -2.034 7.819 1.00 0.00 C ATOM 515 CD2 TYR A 34 108.406 -0.833 9.384 1.00 0.00 C ATOM 516 CE1 TYR A 34 110.613 -2.478 8.878 1.00 0.00 C ATOM 517 CE2 TYR A 34 109.204 -1.275 10.443 1.00 0.00 C ATOM 518 CZ TYR A 34 110.309 -2.099 10.190 1.00 0.00 C ATOM 519 OH TYR A 34 111.097 -2.535 11.235 1.00 0.00 O ATOM 0 H TYR A 34 105.889 -1.149 5.090 1.00 0.00 H new ATOM 0 HA TYR A 34 108.735 -2.040 5.474 1.00 0.00 H new ATOM 0 HB2 TYR A 34 108.280 0.158 6.477 1.00 0.00 H new ATOM 0 HB3 TYR A 34 106.857 -0.466 7.288 1.00 0.00 H new ATOM 0 HD1 TYR A 34 110.051 -2.325 6.806 1.00 0.00 H new ATOM 0 HD2 TYR A 34 107.554 -0.198 9.579 1.00 0.00 H new ATOM 0 HE1 TYR A 34 111.464 -3.114 8.683 1.00 0.00 H new ATOM 0 HE2 TYR A 34 108.969 -0.982 11.456 1.00 0.00 H new ATOM 0 HH TYR A 34 110.747 -2.180 12.079 1.00 0.00 H new ATOM 529 N THR A 35 107.619 -4.255 6.100 1.00 0.00 N ATOM 530 CA THR A 35 107.086 -5.514 6.685 1.00 0.00 C ATOM 531 C THR A 35 108.224 -6.512 6.878 1.00 0.00 C ATOM 532 O THR A 35 109.214 -6.481 6.175 1.00 0.00 O ATOM 533 CB THR A 35 106.040 -6.107 5.737 1.00 0.00 C ATOM 534 OG1 THR A 35 106.681 -6.960 4.800 1.00 0.00 O ATOM 535 CG2 THR A 35 105.319 -4.981 4.993 1.00 0.00 C ATOM 0 H THR A 35 108.322 -4.375 5.370 1.00 0.00 H new ATOM 0 HA THR A 35 106.627 -5.302 7.651 1.00 0.00 H new ATOM 0 HB THR A 35 105.314 -6.679 6.314 1.00 0.00 H new ATOM 0 HG1 THR A 35 106.215 -6.910 3.940 1.00 0.00 H new ATOM 0 HG21 THR A 35 104.576 -5.408 4.320 1.00 0.00 H new ATOM 0 HG22 THR A 35 104.825 -4.328 5.712 1.00 0.00 H new ATOM 0 HG23 THR A 35 106.042 -4.404 4.417 1.00 0.00 H new ATOM 543 N THR A 36 108.094 -7.391 7.837 1.00 0.00 N ATOM 544 CA THR A 36 109.180 -8.388 8.080 1.00 0.00 C ATOM 545 C THR A 36 109.661 -8.929 6.729 1.00 0.00 C ATOM 546 O THR A 36 109.012 -8.757 5.717 1.00 0.00 O ATOM 547 CB THR A 36 108.685 -9.561 8.957 1.00 0.00 C ATOM 548 OG1 THR A 36 108.916 -10.788 8.274 1.00 0.00 O ATOM 549 CG2 THR A 36 107.191 -9.443 9.268 1.00 0.00 C ATOM 0 H THR A 36 107.289 -7.462 8.459 1.00 0.00 H new ATOM 0 HA THR A 36 109.995 -7.894 8.610 1.00 0.00 H new ATOM 0 HB THR A 36 109.235 -9.532 9.898 1.00 0.00 H new ATOM 0 HG1 THR A 36 108.605 -11.534 8.828 1.00 0.00 H new ATOM 0 HG21 THR A 36 106.880 -10.285 9.886 1.00 0.00 H new ATOM 0 HG22 THR A 36 107.003 -8.512 9.803 1.00 0.00 H new ATOM 0 HG23 THR A 36 106.624 -9.448 8.337 1.00 0.00 H new ATOM 557 N LYS A 37 110.794 -9.571 6.703 1.00 0.00 N ATOM 558 CA LYS A 37 111.318 -10.110 5.421 1.00 0.00 C ATOM 559 C LYS A 37 110.350 -11.150 4.848 1.00 0.00 C ATOM 560 O LYS A 37 110.149 -11.231 3.653 1.00 0.00 O ATOM 561 CB LYS A 37 112.676 -10.764 5.678 1.00 0.00 C ATOM 562 CG LYS A 37 112.482 -12.048 6.486 1.00 0.00 C ATOM 563 CD LYS A 37 113.785 -12.400 7.207 1.00 0.00 C ATOM 564 CE LYS A 37 113.864 -13.914 7.407 1.00 0.00 C ATOM 565 NZ LYS A 37 113.528 -14.247 8.821 1.00 0.00 N ATOM 0 H LYS A 37 111.381 -9.746 7.518 1.00 0.00 H new ATOM 0 HA LYS A 37 111.423 -9.297 4.703 1.00 0.00 H new ATOM 0 HB2 LYS A 37 113.168 -10.989 4.732 1.00 0.00 H new ATOM 0 HB3 LYS A 37 113.326 -10.076 6.219 1.00 0.00 H new ATOM 0 HG2 LYS A 37 111.678 -11.917 7.210 1.00 0.00 H new ATOM 0 HG3 LYS A 37 112.187 -12.864 5.826 1.00 0.00 H new ATOM 0 HD2 LYS A 37 114.640 -12.054 6.626 1.00 0.00 H new ATOM 0 HD3 LYS A 37 113.829 -11.892 8.171 1.00 0.00 H new ATOM 0 HE2 LYS A 37 113.174 -14.417 6.730 1.00 0.00 H new ATOM 0 HE3 LYS A 37 114.865 -14.272 7.166 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 113.582 -15.277 8.957 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 114.203 -13.778 9.458 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 112.565 -13.919 9.035 1.00 0.00 H new ATOM 579 N GLU A 38 109.761 -11.956 5.687 1.00 0.00 N ATOM 580 CA GLU A 38 108.824 -12.997 5.195 1.00 0.00 C ATOM 581 C GLU A 38 107.585 -12.348 4.571 1.00 0.00 C ATOM 582 O GLU A 38 106.813 -12.997 3.892 1.00 0.00 O ATOM 583 CB GLU A 38 108.397 -13.886 6.366 1.00 0.00 C ATOM 584 CG GLU A 38 109.334 -15.092 6.460 1.00 0.00 C ATOM 585 CD GLU A 38 109.604 -15.416 7.931 1.00 0.00 C ATOM 586 OE1 GLU A 38 109.966 -14.507 8.660 1.00 0.00 O ATOM 587 OE2 GLU A 38 109.444 -16.567 8.302 1.00 0.00 O ATOM 0 H GLU A 38 109.891 -11.936 6.698 1.00 0.00 H new ATOM 0 HA GLU A 38 109.327 -13.597 4.436 1.00 0.00 H new ATOM 0 HB2 GLU A 38 108.424 -13.318 7.296 1.00 0.00 H new ATOM 0 HB3 GLU A 38 107.369 -14.221 6.226 1.00 0.00 H new ATOM 0 HG2 GLU A 38 108.887 -15.953 5.963 1.00 0.00 H new ATOM 0 HG3 GLU A 38 110.271 -14.879 5.946 1.00 0.00 H new ATOM 594 N LYS A 39 107.379 -11.079 4.795 1.00 0.00 N ATOM 595 CA LYS A 39 106.179 -10.411 4.214 1.00 0.00 C ATOM 596 C LYS A 39 106.538 -9.765 2.874 1.00 0.00 C ATOM 597 O LYS A 39 105.925 -10.040 1.861 1.00 0.00 O ATOM 598 CB LYS A 39 105.677 -9.340 5.183 1.00 0.00 C ATOM 599 CG LYS A 39 104.781 -9.991 6.237 1.00 0.00 C ATOM 600 CD LYS A 39 103.863 -8.935 6.855 1.00 0.00 C ATOM 601 CE LYS A 39 102.404 -9.346 6.651 1.00 0.00 C ATOM 602 NZ LYS A 39 101.791 -9.679 7.969 1.00 0.00 N ATOM 0 H LYS A 39 107.986 -10.478 5.352 1.00 0.00 H new ATOM 0 HA LYS A 39 105.397 -11.153 4.052 1.00 0.00 H new ATOM 0 HB2 LYS A 39 106.520 -8.843 5.663 1.00 0.00 H new ATOM 0 HB3 LYS A 39 105.123 -8.574 4.641 1.00 0.00 H new ATOM 0 HG2 LYS A 39 104.186 -10.784 5.783 1.00 0.00 H new ATOM 0 HG3 LYS A 39 105.392 -10.454 7.012 1.00 0.00 H new ATOM 0 HD2 LYS A 39 104.077 -8.829 7.919 1.00 0.00 H new ATOM 0 HD3 LYS A 39 104.046 -7.964 6.395 1.00 0.00 H new ATOM 0 HE2 LYS A 39 101.850 -8.537 6.175 1.00 0.00 H new ATOM 0 HE3 LYS A 39 102.347 -10.206 5.984 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 100.769 -9.826 7.849 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 102.224 -10.547 8.344 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 101.952 -8.896 8.634 1.00 0.00 H new ATOM 616 N ALA A 40 107.519 -8.907 2.856 1.00 0.00 N ATOM 617 CA ALA A 40 107.904 -8.247 1.575 1.00 0.00 C ATOM 618 C ALA A 40 108.242 -9.311 0.529 1.00 0.00 C ATOM 619 O ALA A 40 108.088 -9.098 -0.657 1.00 0.00 O ATOM 620 CB ALA A 40 109.125 -7.354 1.803 1.00 0.00 C ATOM 0 H ALA A 40 108.070 -8.634 3.670 1.00 0.00 H new ATOM 0 HA ALA A 40 107.071 -7.640 1.220 1.00 0.00 H new ATOM 0 HB1 ALA A 40 109.404 -6.873 0.866 1.00 0.00 H new ATOM 0 HB2 ALA A 40 108.885 -6.592 2.544 1.00 0.00 H new ATOM 0 HB3 ALA A 40 109.957 -7.960 2.162 1.00 0.00 H new ATOM 626 N ALA A 41 108.702 -10.456 0.956 1.00 0.00 N ATOM 627 CA ALA A 41 109.050 -11.526 -0.023 1.00 0.00 C ATOM 628 C ALA A 41 107.793 -11.940 -0.790 1.00 0.00 C ATOM 629 O ALA A 41 107.841 -12.243 -1.966 1.00 0.00 O ATOM 630 CB ALA A 41 109.616 -12.735 0.724 1.00 0.00 C ATOM 0 H ALA A 41 108.851 -10.696 1.936 1.00 0.00 H new ATOM 0 HA ALA A 41 109.796 -11.152 -0.724 1.00 0.00 H new ATOM 0 HB1 ALA A 41 109.871 -13.518 0.009 1.00 0.00 H new ATOM 0 HB2 ALA A 41 110.511 -12.438 1.271 1.00 0.00 H new ATOM 0 HB3 ALA A 41 108.870 -13.112 1.424 1.00 0.00 H new ATOM 636 N LEU A 42 106.666 -11.954 -0.133 1.00 0.00 N ATOM 637 CA LEU A 42 105.405 -12.346 -0.823 1.00 0.00 C ATOM 638 C LEU A 42 104.898 -11.173 -1.665 1.00 0.00 C ATOM 639 O LEU A 42 104.476 -11.343 -2.793 1.00 0.00 O ATOM 640 CB LEU A 42 104.346 -12.713 0.220 1.00 0.00 C ATOM 641 CG LEU A 42 104.685 -14.069 0.839 1.00 0.00 C ATOM 642 CD1 LEU A 42 103.991 -14.198 2.196 1.00 0.00 C ATOM 643 CD2 LEU A 42 104.199 -15.186 -0.088 1.00 0.00 C ATOM 0 H LEU A 42 106.564 -11.711 0.852 1.00 0.00 H new ATOM 0 HA LEU A 42 105.597 -13.203 -1.468 1.00 0.00 H new ATOM 0 HB2 LEU A 42 104.304 -11.948 0.995 1.00 0.00 H new ATOM 0 HB3 LEU A 42 103.361 -12.750 -0.245 1.00 0.00 H new ATOM 0 HG LEU A 42 105.764 -14.148 0.973 1.00 0.00 H new ATOM 0 HD11 LEU A 42 104.232 -15.165 2.638 1.00 0.00 H new ATOM 0 HD12 LEU A 42 104.333 -13.402 2.857 1.00 0.00 H new ATOM 0 HD13 LEU A 42 102.912 -14.120 2.062 1.00 0.00 H new ATOM 0 HD21 LEU A 42 104.440 -16.154 0.351 1.00 0.00 H new ATOM 0 HD22 LEU A 42 103.120 -15.106 -0.220 1.00 0.00 H new ATOM 0 HD23 LEU A 42 104.691 -15.095 -1.056 1.00 0.00 H new ATOM 655 N LEU A 43 104.931 -9.986 -1.126 1.00 0.00 N ATOM 656 CA LEU A 43 104.449 -8.803 -1.892 1.00 0.00 C ATOM 657 C LEU A 43 105.447 -8.468 -3.000 1.00 0.00 C ATOM 658 O LEU A 43 105.164 -7.693 -3.890 1.00 0.00 O ATOM 659 CB LEU A 43 104.310 -7.610 -0.948 1.00 0.00 C ATOM 660 CG LEU A 43 103.440 -8.011 0.242 1.00 0.00 C ATOM 661 CD1 LEU A 43 103.105 -6.771 1.073 1.00 0.00 C ATOM 662 CD2 LEU A 43 102.146 -8.650 -0.271 1.00 0.00 C ATOM 0 H LEU A 43 105.272 -9.784 -0.186 1.00 0.00 H new ATOM 0 HA LEU A 43 103.480 -9.028 -2.338 1.00 0.00 H new ATOM 0 HB2 LEU A 43 105.292 -7.287 -0.603 1.00 0.00 H new ATOM 0 HB3 LEU A 43 103.863 -6.766 -1.473 1.00 0.00 H new ATOM 0 HG LEU A 43 103.979 -8.726 0.864 1.00 0.00 H new ATOM 0 HD11 LEU A 43 102.484 -7.059 1.922 1.00 0.00 H new ATOM 0 HD12 LEU A 43 104.027 -6.316 1.435 1.00 0.00 H new ATOM 0 HD13 LEU A 43 102.565 -6.054 0.455 1.00 0.00 H new ATOM 0 HD21 LEU A 43 101.522 -8.938 0.575 1.00 0.00 H new ATOM 0 HD22 LEU A 43 101.608 -7.934 -0.892 1.00 0.00 H new ATOM 0 HD23 LEU A 43 102.386 -9.534 -0.862 1.00 0.00 H new ATOM 674 N TYR A 44 106.612 -9.050 -2.956 1.00 0.00 N ATOM 675 CA TYR A 44 107.619 -8.765 -4.013 1.00 0.00 C ATOM 676 C TYR A 44 107.091 -9.268 -5.358 1.00 0.00 C ATOM 677 O TYR A 44 106.775 -8.496 -6.241 1.00 0.00 O ATOM 678 CB TYR A 44 108.933 -9.478 -3.679 1.00 0.00 C ATOM 679 CG TYR A 44 110.043 -8.895 -4.519 1.00 0.00 C ATOM 680 CD1 TYR A 44 110.514 -7.605 -4.257 1.00 0.00 C ATOM 681 CD2 TYR A 44 110.598 -9.643 -5.566 1.00 0.00 C ATOM 682 CE1 TYR A 44 111.538 -7.062 -5.041 1.00 0.00 C ATOM 683 CE2 TYR A 44 111.618 -9.098 -6.350 1.00 0.00 C ATOM 684 CZ TYR A 44 112.089 -7.806 -6.087 1.00 0.00 C ATOM 685 OH TYR A 44 113.093 -7.263 -6.865 1.00 0.00 O ATOM 0 H TYR A 44 106.909 -9.709 -2.236 1.00 0.00 H new ATOM 0 HA TYR A 44 107.798 -7.691 -4.067 1.00 0.00 H new ATOM 0 HB2 TYR A 44 109.164 -9.363 -2.620 1.00 0.00 H new ATOM 0 HB3 TYR A 44 108.839 -10.547 -3.871 1.00 0.00 H new ATOM 0 HD1 TYR A 44 110.088 -7.028 -3.450 1.00 0.00 H new ATOM 0 HD2 TYR A 44 110.237 -10.641 -5.767 1.00 0.00 H new ATOM 0 HE1 TYR A 44 111.903 -6.066 -4.837 1.00 0.00 H new ATOM 0 HE2 TYR A 44 112.043 -9.673 -7.159 1.00 0.00 H new ATOM 0 HH TYR A 44 112.905 -6.315 -7.026 1.00 0.00 H new ATOM 695 N LYS A 45 106.990 -10.560 -5.520 1.00 0.00 N ATOM 696 CA LYS A 45 106.481 -11.115 -6.808 1.00 0.00 C ATOM 697 C LYS A 45 104.992 -10.794 -6.958 1.00 0.00 C ATOM 698 O LYS A 45 104.404 -11.016 -7.998 1.00 0.00 O ATOM 699 CB LYS A 45 106.678 -12.632 -6.823 1.00 0.00 C ATOM 700 CG LYS A 45 106.286 -13.215 -5.463 1.00 0.00 C ATOM 701 CD LYS A 45 106.070 -14.723 -5.595 1.00 0.00 C ATOM 702 CE LYS A 45 104.893 -15.152 -4.717 1.00 0.00 C ATOM 703 NZ LYS A 45 104.920 -16.632 -4.537 1.00 0.00 N ATOM 0 H LYS A 45 107.238 -11.255 -4.816 1.00 0.00 H new ATOM 0 HA LYS A 45 107.031 -10.666 -7.635 1.00 0.00 H new ATOM 0 HB2 LYS A 45 106.071 -13.080 -7.610 1.00 0.00 H new ATOM 0 HB3 LYS A 45 107.718 -12.872 -7.047 1.00 0.00 H new ATOM 0 HG2 LYS A 45 107.067 -13.012 -4.730 1.00 0.00 H new ATOM 0 HG3 LYS A 45 105.376 -12.737 -5.100 1.00 0.00 H new ATOM 0 HD2 LYS A 45 105.874 -14.983 -6.635 1.00 0.00 H new ATOM 0 HD3 LYS A 45 106.972 -15.257 -5.297 1.00 0.00 H new ATOM 0 HE2 LYS A 45 104.949 -14.656 -3.748 1.00 0.00 H new ATOM 0 HE3 LYS A 45 103.953 -14.848 -5.177 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 104.120 -16.924 -3.940 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 104.847 -17.096 -5.465 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 105.812 -16.910 -4.080 1.00 0.00 H new ATOM 717 N LYS A 46 104.375 -10.276 -5.931 1.00 0.00 N ATOM 718 CA LYS A 46 102.923 -9.949 -6.027 1.00 0.00 C ATOM 719 C LYS A 46 102.750 -8.590 -6.713 1.00 0.00 C ATOM 720 O LYS A 46 102.283 -8.505 -7.832 1.00 0.00 O ATOM 721 CB LYS A 46 102.318 -9.898 -4.623 1.00 0.00 C ATOM 722 CG LYS A 46 101.056 -10.763 -4.581 1.00 0.00 C ATOM 723 CD LYS A 46 100.743 -11.144 -3.132 1.00 0.00 C ATOM 724 CE LYS A 46 100.080 -12.522 -3.096 1.00 0.00 C ATOM 725 NZ LYS A 46 98.796 -12.437 -2.345 1.00 0.00 N ATOM 0 H LYS A 46 104.811 -10.066 -5.033 1.00 0.00 H new ATOM 0 HA LYS A 46 102.414 -10.716 -6.611 1.00 0.00 H new ATOM 0 HB2 LYS A 46 103.042 -10.255 -3.890 1.00 0.00 H new ATOM 0 HB3 LYS A 46 102.076 -8.869 -4.357 1.00 0.00 H new ATOM 0 HG2 LYS A 46 100.216 -10.220 -5.014 1.00 0.00 H new ATOM 0 HG3 LYS A 46 101.199 -11.662 -5.181 1.00 0.00 H new ATOM 0 HD2 LYS A 46 101.659 -11.155 -2.542 1.00 0.00 H new ATOM 0 HD3 LYS A 46 100.084 -10.400 -2.684 1.00 0.00 H new ATOM 0 HE2 LYS A 46 99.897 -12.876 -4.111 1.00 0.00 H new ATOM 0 HE3 LYS A 46 100.744 -13.244 -2.621 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 98.345 -13.374 -2.321 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 98.983 -12.117 -1.373 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 98.162 -11.760 -2.816 1.00 0.00 H new ATOM 739 N ILE A 47 103.121 -7.528 -6.054 1.00 0.00 N ATOM 740 CA ILE A 47 102.975 -6.178 -6.670 1.00 0.00 C ATOM 741 C ILE A 47 103.717 -6.136 -8.010 1.00 0.00 C ATOM 742 O ILE A 47 103.353 -5.404 -8.908 1.00 0.00 O ATOM 743 CB ILE A 47 103.572 -5.121 -5.740 1.00 0.00 C ATOM 744 CG1 ILE A 47 102.887 -5.204 -4.357 1.00 0.00 C ATOM 745 CG2 ILE A 47 103.385 -3.739 -6.377 1.00 0.00 C ATOM 746 CD1 ILE A 47 102.280 -3.853 -3.942 1.00 0.00 C ATOM 0 H ILE A 47 103.519 -7.536 -5.115 1.00 0.00 H new ATOM 0 HA ILE A 47 101.916 -5.975 -6.830 1.00 0.00 H new ATOM 0 HB ILE A 47 104.638 -5.296 -5.596 1.00 0.00 H new ATOM 0 HG12 ILE A 47 102.104 -5.962 -4.383 1.00 0.00 H new ATOM 0 HG13 ILE A 47 103.614 -5.522 -3.609 1.00 0.00 H new ATOM 0 HG21 ILE A 47 103.807 -2.977 -5.722 1.00 0.00 H new ATOM 0 HG22 ILE A 47 103.893 -3.711 -7.341 1.00 0.00 H new ATOM 0 HG23 ILE A 47 102.322 -3.546 -6.521 1.00 0.00 H new ATOM 0 HD11 ILE A 47 101.807 -3.951 -2.965 1.00 0.00 H new ATOM 0 HD12 ILE A 47 103.067 -3.101 -3.890 1.00 0.00 H new ATOM 0 HD13 ILE A 47 101.534 -3.548 -4.676 1.00 0.00 H new ATOM 758 N MET A 48 104.764 -6.903 -8.144 1.00 0.00 N ATOM 759 CA MET A 48 105.541 -6.897 -9.418 1.00 0.00 C ATOM 760 C MET A 48 104.594 -6.867 -10.622 1.00 0.00 C ATOM 761 O MET A 48 104.926 -6.345 -11.667 1.00 0.00 O ATOM 762 CB MET A 48 106.410 -8.153 -9.489 1.00 0.00 C ATOM 763 CG MET A 48 107.639 -7.970 -8.598 1.00 0.00 C ATOM 764 SD MET A 48 109.018 -7.345 -9.589 1.00 0.00 S ATOM 765 CE MET A 48 110.337 -7.758 -8.421 1.00 0.00 C ATOM 0 H MET A 48 105.116 -7.535 -7.425 1.00 0.00 H new ATOM 0 HA MET A 48 106.171 -6.008 -9.442 1.00 0.00 H new ATOM 0 HB2 MET A 48 105.839 -9.023 -9.165 1.00 0.00 H new ATOM 0 HB3 MET A 48 106.717 -8.338 -10.518 1.00 0.00 H new ATOM 0 HG2 MET A 48 107.414 -7.275 -7.789 1.00 0.00 H new ATOM 0 HG3 MET A 48 107.911 -8.919 -8.136 1.00 0.00 H new ATOM 0 HE1 MET A 48 111.147 -7.034 -8.516 1.00 0.00 H new ATOM 0 HE2 MET A 48 109.944 -7.732 -7.405 1.00 0.00 H new ATOM 0 HE3 MET A 48 110.716 -8.757 -8.638 1.00 0.00 H new ATOM 775 N GLU A 49 103.421 -7.426 -10.493 1.00 0.00 N ATOM 776 CA GLU A 49 102.474 -7.424 -11.645 1.00 0.00 C ATOM 777 C GLU A 49 101.187 -6.688 -11.264 1.00 0.00 C ATOM 778 O GLU A 49 100.536 -6.091 -12.098 1.00 0.00 O ATOM 779 CB GLU A 49 102.139 -8.867 -12.029 1.00 0.00 C ATOM 780 CG GLU A 49 103.042 -9.312 -13.182 1.00 0.00 C ATOM 781 CD GLU A 49 102.183 -9.843 -14.331 1.00 0.00 C ATOM 782 OE1 GLU A 49 101.217 -10.532 -14.050 1.00 0.00 O ATOM 783 OE2 GLU A 49 102.506 -9.551 -15.469 1.00 0.00 O ATOM 0 H GLU A 49 103.079 -7.881 -9.646 1.00 0.00 H new ATOM 0 HA GLU A 49 102.939 -6.916 -12.490 1.00 0.00 H new ATOM 0 HB2 GLU A 49 102.277 -9.524 -11.171 1.00 0.00 H new ATOM 0 HB3 GLU A 49 101.092 -8.942 -12.323 1.00 0.00 H new ATOM 0 HG2 GLU A 49 103.649 -8.475 -13.526 1.00 0.00 H new ATOM 0 HG3 GLU A 49 103.730 -10.086 -12.841 1.00 0.00 H new ATOM 790 N LYS A 50 100.812 -6.728 -10.017 1.00 0.00 N ATOM 791 CA LYS A 50 99.563 -6.033 -9.596 1.00 0.00 C ATOM 792 C LYS A 50 99.652 -4.544 -9.944 1.00 0.00 C ATOM 793 O LYS A 50 98.660 -3.908 -10.240 1.00 0.00 O ATOM 794 CB LYS A 50 99.371 -6.191 -8.087 1.00 0.00 C ATOM 795 CG LYS A 50 97.940 -5.800 -7.714 1.00 0.00 C ATOM 796 CD LYS A 50 97.618 -6.305 -6.307 1.00 0.00 C ATOM 797 CE LYS A 50 97.937 -7.799 -6.214 1.00 0.00 C ATOM 798 NZ LYS A 50 97.447 -8.489 -7.440 1.00 0.00 N ATOM 0 H LYS A 50 101.314 -7.210 -9.272 1.00 0.00 H new ATOM 0 HA LYS A 50 98.716 -6.475 -10.120 1.00 0.00 H new ATOM 0 HB2 LYS A 50 99.568 -7.221 -7.790 1.00 0.00 H new ATOM 0 HB3 LYS A 50 100.083 -5.563 -7.551 1.00 0.00 H new ATOM 0 HG2 LYS A 50 97.826 -4.717 -7.757 1.00 0.00 H new ATOM 0 HG3 LYS A 50 97.238 -6.223 -8.432 1.00 0.00 H new ATOM 0 HD2 LYS A 50 98.199 -5.752 -5.569 1.00 0.00 H new ATOM 0 HD3 LYS A 50 96.566 -6.132 -6.079 1.00 0.00 H new ATOM 0 HE2 LYS A 50 99.012 -7.946 -6.106 1.00 0.00 H new ATOM 0 HE3 LYS A 50 97.466 -8.228 -5.330 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 97.267 -9.491 -7.226 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 96.566 -8.040 -7.762 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 98.165 -8.418 -8.189 1.00 0.00 H new ATOM 812 N TYR A 51 100.829 -3.981 -9.907 1.00 0.00 N ATOM 813 CA TYR A 51 100.969 -2.532 -10.232 1.00 0.00 C ATOM 814 C TYR A 51 102.111 -2.329 -11.229 1.00 0.00 C ATOM 815 O TYR A 51 102.577 -1.226 -11.420 1.00 0.00 O ATOM 816 CB TYR A 51 101.289 -1.748 -8.956 1.00 0.00 C ATOM 817 CG TYR A 51 100.115 -1.802 -8.012 1.00 0.00 C ATOM 818 CD1 TYR A 51 99.926 -2.919 -7.193 1.00 0.00 C ATOM 819 CD2 TYR A 51 99.212 -0.733 -7.957 1.00 0.00 C ATOM 820 CE1 TYR A 51 98.837 -2.969 -6.318 1.00 0.00 C ATOM 821 CE2 TYR A 51 98.121 -0.782 -7.084 1.00 0.00 C ATOM 822 CZ TYR A 51 97.933 -1.901 -6.262 1.00 0.00 C ATOM 823 OH TYR A 51 96.856 -1.952 -5.401 1.00 0.00 O ATOM 0 H TYR A 51 101.697 -4.459 -9.667 1.00 0.00 H new ATOM 0 HA TYR A 51 100.034 -2.177 -10.665 1.00 0.00 H new ATOM 0 HB2 TYR A 51 102.173 -2.165 -8.475 1.00 0.00 H new ATOM 0 HB3 TYR A 51 101.520 -0.712 -9.204 1.00 0.00 H new ATOM 0 HD1 TYR A 51 100.622 -3.744 -7.236 1.00 0.00 H new ATOM 0 HD2 TYR A 51 99.358 0.130 -8.590 1.00 0.00 H new ATOM 0 HE1 TYR A 51 98.693 -3.832 -5.685 1.00 0.00 H new ATOM 0 HE2 TYR A 51 97.424 0.042 -7.043 1.00 0.00 H new ATOM 0 HH TYR A 51 96.329 -1.130 -5.487 1.00 0.00 H new ATOM 833 N SER A 52 102.578 -3.375 -11.855 1.00 0.00 N ATOM 834 CA SER A 52 103.704 -3.208 -12.819 1.00 0.00 C ATOM 835 C SER A 52 104.760 -2.310 -12.175 1.00 0.00 C ATOM 836 O SER A 52 105.227 -1.355 -12.763 1.00 0.00 O ATOM 837 CB SER A 52 103.191 -2.558 -14.106 1.00 0.00 C ATOM 838 OG SER A 52 102.978 -3.563 -15.088 1.00 0.00 O ATOM 0 H SER A 52 102.233 -4.328 -11.743 1.00 0.00 H new ATOM 0 HA SER A 52 104.135 -4.179 -13.063 1.00 0.00 H new ATOM 0 HB2 SER A 52 102.262 -2.022 -13.911 1.00 0.00 H new ATOM 0 HB3 SER A 52 103.912 -1.826 -14.469 1.00 0.00 H new ATOM 0 HG SER A 52 102.648 -3.150 -15.913 1.00 0.00 H new ATOM 844 N VAL A 53 105.115 -2.607 -10.954 1.00 0.00 N ATOM 845 CA VAL A 53 106.121 -1.783 -10.224 1.00 0.00 C ATOM 846 C VAL A 53 107.216 -1.289 -11.169 1.00 0.00 C ATOM 847 O VAL A 53 107.840 -2.059 -11.872 1.00 0.00 O ATOM 848 CB VAL A 53 106.762 -2.628 -9.124 1.00 0.00 C ATOM 849 CG1 VAL A 53 105.677 -3.155 -8.187 1.00 0.00 C ATOM 850 CG2 VAL A 53 107.504 -3.808 -9.757 1.00 0.00 C ATOM 0 H VAL A 53 104.745 -3.396 -10.424 1.00 0.00 H new ATOM 0 HA VAL A 53 105.612 -0.920 -9.796 1.00 0.00 H new ATOM 0 HB VAL A 53 107.464 -2.016 -8.558 1.00 0.00 H new ATOM 0 HG11 VAL A 53 106.135 -3.758 -7.403 1.00 0.00 H new ATOM 0 HG12 VAL A 53 105.146 -2.316 -7.737 1.00 0.00 H new ATOM 0 HG13 VAL A 53 104.975 -3.768 -8.752 1.00 0.00 H new ATOM 0 HG21 VAL A 53 107.962 -4.412 -8.974 1.00 0.00 H new ATOM 0 HG22 VAL A 53 106.800 -4.419 -10.322 1.00 0.00 H new ATOM 0 HG23 VAL A 53 108.279 -3.434 -10.426 1.00 0.00 H new ATOM 860 N THR A 54 107.475 -0.009 -11.162 1.00 0.00 N ATOM 861 CA THR A 54 108.556 0.535 -12.027 1.00 0.00 C ATOM 862 C THR A 54 109.901 0.047 -11.481 1.00 0.00 C ATOM 863 O THR A 54 110.938 0.226 -12.088 1.00 0.00 O ATOM 864 CB THR A 54 108.512 2.064 -11.999 1.00 0.00 C ATOM 865 OG1 THR A 54 107.172 2.501 -12.179 1.00 0.00 O ATOM 866 CG2 THR A 54 109.388 2.623 -13.122 1.00 0.00 C ATOM 0 H THR A 54 106.984 0.682 -10.594 1.00 0.00 H new ATOM 0 HA THR A 54 108.424 0.196 -13.055 1.00 0.00 H new ATOM 0 HB THR A 54 108.885 2.421 -11.039 1.00 0.00 H new ATOM 0 HG1 THR A 54 107.142 3.480 -12.160 1.00 0.00 H new ATOM 0 HG21 THR A 54 109.356 3.712 -13.101 1.00 0.00 H new ATOM 0 HG22 THR A 54 110.416 2.288 -12.983 1.00 0.00 H new ATOM 0 HG23 THR A 54 109.018 2.268 -14.084 1.00 0.00 H new ATOM 874 N PHE A 55 109.879 -0.566 -10.326 1.00 0.00 N ATOM 875 CA PHE A 55 111.129 -1.074 -9.705 1.00 0.00 C ATOM 876 C PHE A 55 110.813 -1.431 -8.254 1.00 0.00 C ATOM 877 O PHE A 55 110.183 -0.668 -7.548 1.00 0.00 O ATOM 878 CB PHE A 55 112.201 0.019 -9.757 1.00 0.00 C ATOM 879 CG PHE A 55 113.237 -0.208 -8.674 1.00 0.00 C ATOM 880 CD1 PHE A 55 114.116 -1.293 -8.751 1.00 0.00 C ATOM 881 CD2 PHE A 55 113.317 0.677 -7.595 1.00 0.00 C ATOM 882 CE1 PHE A 55 115.073 -1.490 -7.752 1.00 0.00 C ATOM 883 CE2 PHE A 55 114.273 0.482 -6.597 1.00 0.00 C ATOM 884 CZ PHE A 55 115.153 -0.602 -6.675 1.00 0.00 C ATOM 0 H PHE A 55 109.033 -0.736 -9.782 1.00 0.00 H new ATOM 0 HA PHE A 55 111.501 -1.950 -10.236 1.00 0.00 H new ATOM 0 HB2 PHE A 55 112.682 0.020 -10.735 1.00 0.00 H new ATOM 0 HB3 PHE A 55 111.739 0.998 -9.628 1.00 0.00 H new ATOM 0 HD1 PHE A 55 114.055 -1.979 -9.583 1.00 0.00 H new ATOM 0 HD2 PHE A 55 112.637 1.514 -7.533 1.00 0.00 H new ATOM 0 HE1 PHE A 55 115.751 -2.328 -7.812 1.00 0.00 H new ATOM 0 HE2 PHE A 55 114.333 1.168 -5.765 1.00 0.00 H new ATOM 0 HZ PHE A 55 115.894 -0.753 -5.904 1.00 0.00 H new ATOM 894 N ILE A 56 111.234 -2.572 -7.794 1.00 0.00 N ATOM 895 CA ILE A 56 110.928 -2.931 -6.388 1.00 0.00 C ATOM 896 C ILE A 56 112.126 -3.638 -5.761 1.00 0.00 C ATOM 897 O ILE A 56 112.549 -4.677 -6.216 1.00 0.00 O ATOM 898 CB ILE A 56 109.704 -3.847 -6.351 1.00 0.00 C ATOM 899 CG1 ILE A 56 109.515 -4.396 -4.936 1.00 0.00 C ATOM 900 CG2 ILE A 56 109.912 -5.010 -7.320 1.00 0.00 C ATOM 901 CD1 ILE A 56 108.386 -5.428 -4.939 1.00 0.00 C ATOM 0 H ILE A 56 111.769 -3.262 -8.322 1.00 0.00 H new ATOM 0 HA ILE A 56 110.717 -2.024 -5.821 1.00 0.00 H new ATOM 0 HB ILE A 56 108.819 -3.280 -6.641 1.00 0.00 H new ATOM 0 HG12 ILE A 56 110.440 -4.853 -4.585 1.00 0.00 H new ATOM 0 HG13 ILE A 56 109.279 -3.585 -4.248 1.00 0.00 H new ATOM 0 HG21 ILE A 56 109.041 -5.664 -7.295 1.00 0.00 H new ATOM 0 HG22 ILE A 56 110.046 -4.623 -8.330 1.00 0.00 H new ATOM 0 HG23 ILE A 56 110.798 -5.574 -7.027 1.00 0.00 H new ATOM 0 HD11 ILE A 56 108.249 -5.821 -3.931 1.00 0.00 H new ATOM 0 HD12 ILE A 56 107.462 -4.956 -5.273 1.00 0.00 H new ATOM 0 HD13 ILE A 56 108.641 -6.244 -5.615 1.00 0.00 H new ATOM 913 N SER A 57 112.683 -3.071 -4.726 1.00 0.00 N ATOM 914 CA SER A 57 113.863 -3.708 -4.074 1.00 0.00 C ATOM 915 C SER A 57 113.577 -4.001 -2.602 1.00 0.00 C ATOM 916 O SER A 57 113.118 -3.151 -1.867 1.00 0.00 O ATOM 917 CB SER A 57 115.050 -2.758 -4.146 1.00 0.00 C ATOM 918 OG SER A 57 116.250 -3.481 -3.909 1.00 0.00 O ATOM 0 H SER A 57 112.373 -2.196 -4.304 1.00 0.00 H new ATOM 0 HA SER A 57 114.079 -4.641 -4.594 1.00 0.00 H new ATOM 0 HB2 SER A 57 115.088 -2.280 -5.125 1.00 0.00 H new ATOM 0 HB3 SER A 57 114.939 -1.964 -3.408 1.00 0.00 H new ATOM 0 HG SER A 57 116.033 -4.407 -3.674 1.00 0.00 H new ATOM 924 N ARG A 58 113.879 -5.189 -2.159 1.00 0.00 N ATOM 925 CA ARG A 58 113.660 -5.528 -0.726 1.00 0.00 C ATOM 926 C ARG A 58 114.959 -5.259 0.041 1.00 0.00 C ATOM 927 O ARG A 58 115.964 -5.905 -0.183 1.00 0.00 O ATOM 928 CB ARG A 58 113.287 -7.007 -0.601 1.00 0.00 C ATOM 929 CG ARG A 58 113.006 -7.340 0.864 1.00 0.00 C ATOM 930 CD ARG A 58 112.426 -8.751 0.964 1.00 0.00 C ATOM 931 NE ARG A 58 113.311 -9.703 0.235 1.00 0.00 N ATOM 932 CZ ARG A 58 113.073 -10.985 0.288 1.00 0.00 C ATOM 933 NH1 ARG A 58 112.176 -11.513 -0.498 1.00 0.00 N ATOM 934 NH2 ARG A 58 113.732 -11.737 1.126 1.00 0.00 N ATOM 0 H ARG A 58 114.268 -5.941 -2.728 1.00 0.00 H new ATOM 0 HA ARG A 58 112.852 -4.922 -0.317 1.00 0.00 H new ATOM 0 HB2 ARG A 58 112.409 -7.224 -1.209 1.00 0.00 H new ATOM 0 HB3 ARG A 58 114.098 -7.631 -0.978 1.00 0.00 H new ATOM 0 HG2 ARG A 58 113.925 -7.271 1.446 1.00 0.00 H new ATOM 0 HG3 ARG A 58 112.307 -6.617 1.285 1.00 0.00 H new ATOM 0 HD2 ARG A 58 112.338 -9.047 2.009 1.00 0.00 H new ATOM 0 HD3 ARG A 58 111.422 -8.774 0.541 1.00 0.00 H new ATOM 0 HE ARG A 58 114.102 -9.353 -0.305 1.00 0.00 H new ATOM 0 HH11 ARG A 58 111.662 -10.924 -1.153 1.00 0.00 H new ATOM 0 HH12 ARG A 58 111.989 -12.515 -0.458 1.00 0.00 H new ATOM 0 HH21 ARG A 58 114.433 -11.323 1.740 1.00 0.00 H new ATOM 0 HH22 ARG A 58 113.546 -12.739 1.167 1.00 0.00 H new ATOM 948 N HIS A 59 114.956 -4.301 0.929 1.00 0.00 N ATOM 949 CA HIS A 59 116.204 -3.986 1.688 1.00 0.00 C ATOM 950 C HIS A 59 116.073 -4.446 3.142 1.00 0.00 C ATOM 951 O HIS A 59 115.018 -4.852 3.587 1.00 0.00 O ATOM 952 CB HIS A 59 116.448 -2.475 1.661 1.00 0.00 C ATOM 953 CG HIS A 59 116.643 -2.025 0.241 1.00 0.00 C ATOM 954 ND1 HIS A 59 117.896 -1.738 -0.279 1.00 0.00 N ATOM 955 CD2 HIS A 59 115.754 -1.805 -0.780 1.00 0.00 C ATOM 956 CE1 HIS A 59 117.726 -1.366 -1.561 1.00 0.00 C ATOM 957 NE2 HIS A 59 116.440 -1.390 -1.917 1.00 0.00 N ATOM 0 H HIS A 59 114.148 -3.724 1.162 1.00 0.00 H new ATOM 0 HA HIS A 59 117.040 -4.508 1.222 1.00 0.00 H new ATOM 0 HB2 HIS A 59 115.603 -1.951 2.107 1.00 0.00 H new ATOM 0 HB3 HIS A 59 117.327 -2.227 2.256 1.00 0.00 H new ATOM 0 HD1 HIS A 59 118.784 -1.798 0.219 1.00 0.00 H new ATOM 0 HD2 HIS A 59 114.684 -1.934 -0.712 1.00 0.00 H new ATOM 0 HE1 HIS A 59 118.532 -1.083 -2.221 1.00 0.00 H new ATOM 965 N ASN A 60 117.147 -4.378 3.884 1.00 0.00 N ATOM 966 CA ASN A 60 117.106 -4.801 5.313 1.00 0.00 C ATOM 967 C ASN A 60 117.443 -3.605 6.206 1.00 0.00 C ATOM 968 O ASN A 60 118.261 -2.773 5.862 1.00 0.00 O ATOM 969 CB ASN A 60 118.136 -5.907 5.547 1.00 0.00 C ATOM 970 CG ASN A 60 117.430 -7.261 5.628 1.00 0.00 C ATOM 971 OD1 ASN A 60 116.290 -7.429 5.018 1.00 0.00 O flip ATOM 972 ND2 ASN A 60 117.922 -8.178 6.254 1.00 0.00 N flip ATOM 0 H ASN A 60 118.055 -4.046 3.559 1.00 0.00 H new ATOM 0 HA ASN A 60 116.109 -5.171 5.553 1.00 0.00 H new ATOM 0 HB2 ASN A 60 118.866 -5.915 4.737 1.00 0.00 H new ATOM 0 HB3 ASN A 60 118.685 -5.717 6.469 1.00 0.00 H new ATOM 0 HD21 ASN A 60 118.814 -8.049 6.732 1.00 0.00 H new ATOM 0 HD22 ASN A 60 117.443 -9.078 6.302 1.00 0.00 H new ATOM 979 N SER A 61 116.824 -3.514 7.352 1.00 0.00 N ATOM 980 CA SER A 61 117.112 -2.373 8.267 1.00 0.00 C ATOM 981 C SER A 61 117.649 -2.909 9.594 1.00 0.00 C ATOM 982 O SER A 61 118.717 -2.537 10.038 1.00 0.00 O ATOM 983 CB SER A 61 115.827 -1.582 8.517 1.00 0.00 C ATOM 984 OG SER A 61 114.798 -2.475 8.923 1.00 0.00 O ATOM 0 H SER A 61 116.132 -4.180 7.694 1.00 0.00 H new ATOM 0 HA SER A 61 117.856 -1.720 7.811 1.00 0.00 H new ATOM 0 HB2 SER A 61 115.994 -0.828 9.286 1.00 0.00 H new ATOM 0 HB3 SER A 61 115.529 -1.053 7.611 1.00 0.00 H new ATOM 0 HG SER A 61 113.973 -1.971 9.086 1.00 0.00 H new ATOM 990 N TYR A 62 116.918 -3.781 10.231 1.00 0.00 N ATOM 991 CA TYR A 62 117.388 -4.340 11.529 1.00 0.00 C ATOM 992 C TYR A 62 116.755 -5.716 11.744 1.00 0.00 C ATOM 993 O TYR A 62 117.434 -6.688 12.006 1.00 0.00 O ATOM 994 CB TYR A 62 116.978 -3.402 12.667 1.00 0.00 C ATOM 995 CG TYR A 62 117.601 -2.044 12.447 1.00 0.00 C ATOM 996 CD1 TYR A 62 118.905 -1.791 12.888 1.00 0.00 C ATOM 997 CD2 TYR A 62 116.874 -1.036 11.802 1.00 0.00 C ATOM 998 CE1 TYR A 62 119.482 -0.534 12.683 1.00 0.00 C ATOM 999 CE2 TYR A 62 117.451 0.221 11.598 1.00 0.00 C ATOM 1000 CZ TYR A 62 118.755 0.473 12.038 1.00 0.00 C ATOM 1001 OH TYR A 62 119.324 1.714 11.836 1.00 0.00 O ATOM 0 H TYR A 62 116.016 -4.131 9.909 1.00 0.00 H new ATOM 0 HA TYR A 62 118.474 -4.437 11.515 1.00 0.00 H new ATOM 0 HB2 TYR A 62 115.892 -3.314 12.707 1.00 0.00 H new ATOM 0 HB3 TYR A 62 117.300 -3.811 13.624 1.00 0.00 H new ATOM 0 HD1 TYR A 62 119.466 -2.567 13.387 1.00 0.00 H new ATOM 0 HD2 TYR A 62 115.867 -1.230 11.462 1.00 0.00 H new ATOM 0 HE1 TYR A 62 120.489 -0.340 13.022 1.00 0.00 H new ATOM 0 HE2 TYR A 62 116.890 0.998 11.100 1.00 0.00 H new ATOM 0 HH TYR A 62 118.685 2.295 11.373 1.00 0.00 H new ATOM 1011 N ASN A 63 115.458 -5.804 11.634 1.00 0.00 N ATOM 1012 CA ASN A 63 114.783 -7.119 11.832 1.00 0.00 C ATOM 1013 C ASN A 63 113.823 -7.395 10.670 1.00 0.00 C ATOM 1014 O ASN A 63 113.557 -8.531 10.333 1.00 0.00 O ATOM 1015 CB ASN A 63 114.000 -7.095 13.146 1.00 0.00 C ATOM 1016 CG ASN A 63 114.849 -7.719 14.256 1.00 0.00 C ATOM 1017 OD1 ASN A 63 114.736 -8.896 14.534 1.00 0.00 O ATOM 1018 ND2 ASN A 63 115.702 -6.973 14.905 1.00 0.00 N ATOM 0 H ASN A 63 114.837 -5.025 11.416 1.00 0.00 H new ATOM 0 HA ASN A 63 115.536 -7.907 11.867 1.00 0.00 H new ATOM 0 HB2 ASN A 63 113.737 -6.070 13.407 1.00 0.00 H new ATOM 0 HB3 ASN A 63 113.065 -7.645 13.035 1.00 0.00 H new ATOM 0 HD21 ASN A 63 116.274 -7.379 15.646 1.00 0.00 H new ATOM 0 HD22 ASN A 63 115.796 -5.985 14.671 1.00 0.00 H new ATOM 1025 N HIS A 64 113.293 -6.369 10.056 1.00 0.00 N ATOM 1026 CA HIS A 64 112.349 -6.590 8.924 1.00 0.00 C ATOM 1027 C HIS A 64 112.951 -6.054 7.625 1.00 0.00 C ATOM 1028 O HIS A 64 114.097 -5.651 7.578 1.00 0.00 O ATOM 1029 CB HIS A 64 111.034 -5.871 9.210 1.00 0.00 C ATOM 1030 CG HIS A 64 110.468 -6.351 10.515 1.00 0.00 C ATOM 1031 ND1 HIS A 64 110.651 -7.643 10.983 1.00 0.00 N ATOM 1032 CD2 HIS A 64 109.719 -5.714 11.464 1.00 0.00 C ATOM 1033 CE1 HIS A 64 110.020 -7.735 12.170 1.00 0.00 C ATOM 1034 NE2 HIS A 64 109.436 -6.586 12.509 1.00 0.00 N ATOM 0 H HIS A 64 113.473 -5.392 10.289 1.00 0.00 H new ATOM 0 HA HIS A 64 112.167 -7.659 8.817 1.00 0.00 H new ATOM 0 HB2 HIS A 64 111.198 -4.794 9.248 1.00 0.00 H new ATOM 0 HB3 HIS A 64 110.324 -6.057 8.404 1.00 0.00 H new ATOM 0 HD1 HIS A 64 111.168 -8.387 10.515 1.00 0.00 H new ATOM 0 HD2 HIS A 64 109.395 -4.685 11.410 1.00 0.00 H new ATOM 0 HE1 HIS A 64 109.991 -8.630 12.773 1.00 0.00 H new ATOM 1042 N ASN A 65 112.188 -6.057 6.565 1.00 0.00 N ATOM 1043 CA ASN A 65 112.715 -5.557 5.263 1.00 0.00 C ATOM 1044 C ASN A 65 111.805 -4.453 4.717 1.00 0.00 C ATOM 1045 O ASN A 65 110.603 -4.465 4.919 1.00 0.00 O ATOM 1046 CB ASN A 65 112.755 -6.709 4.258 1.00 0.00 C ATOM 1047 CG ASN A 65 113.457 -7.914 4.884 1.00 0.00 C ATOM 1048 OD1 ASN A 65 113.566 -8.010 6.090 1.00 0.00 O ATOM 1049 ND2 ASN A 65 113.943 -8.841 4.110 1.00 0.00 N ATOM 0 H ASN A 65 111.222 -6.384 6.545 1.00 0.00 H new ATOM 0 HA ASN A 65 113.717 -5.157 5.416 1.00 0.00 H new ATOM 0 HB2 ASN A 65 111.742 -6.980 3.960 1.00 0.00 H new ATOM 0 HB3 ASN A 65 113.280 -6.398 3.355 1.00 0.00 H new ATOM 0 HD21 ASN A 65 114.416 -9.649 4.516 1.00 0.00 H new ATOM 0 HD22 ASN A 65 113.851 -8.760 3.097 1.00 0.00 H new ATOM 1056 N ILE A 66 112.367 -3.510 4.011 1.00 0.00 N ATOM 1057 CA ILE A 66 111.540 -2.418 3.430 1.00 0.00 C ATOM 1058 C ILE A 66 111.306 -2.723 1.952 1.00 0.00 C ATOM 1059 O ILE A 66 112.183 -2.551 1.127 1.00 0.00 O ATOM 1060 CB ILE A 66 112.270 -1.078 3.566 1.00 0.00 C ATOM 1061 CG1 ILE A 66 112.295 -0.657 5.038 1.00 0.00 C ATOM 1062 CG2 ILE A 66 111.539 -0.010 2.744 1.00 0.00 C ATOM 1063 CD1 ILE A 66 113.324 -1.500 5.794 1.00 0.00 C ATOM 0 H ILE A 66 113.366 -3.450 3.812 1.00 0.00 H new ATOM 0 HA ILE A 66 110.589 -2.354 3.959 1.00 0.00 H new ATOM 0 HB ILE A 66 113.291 -1.184 3.199 1.00 0.00 H new ATOM 0 HG12 ILE A 66 112.545 0.401 5.120 1.00 0.00 H new ATOM 0 HG13 ILE A 66 111.307 -0.786 5.481 1.00 0.00 H new ATOM 0 HG21 ILE A 66 112.059 0.943 2.841 1.00 0.00 H new ATOM 0 HG22 ILE A 66 111.520 -0.308 1.696 1.00 0.00 H new ATOM 0 HG23 ILE A 66 110.518 0.095 3.110 1.00 0.00 H new ATOM 0 HD11 ILE A 66 113.341 -1.200 6.842 1.00 0.00 H new ATOM 0 HD12 ILE A 66 113.054 -2.554 5.723 1.00 0.00 H new ATOM 0 HD13 ILE A 66 114.311 -1.348 5.357 1.00 0.00 H new ATOM 1075 N LEU A 67 110.137 -3.182 1.609 1.00 0.00 N ATOM 1076 CA LEU A 67 109.857 -3.507 0.184 1.00 0.00 C ATOM 1077 C LEU A 67 109.567 -2.219 -0.577 1.00 0.00 C ATOM 1078 O LEU A 67 108.455 -1.732 -0.611 1.00 0.00 O ATOM 1079 CB LEU A 67 108.644 -4.439 0.101 1.00 0.00 C ATOM 1080 CG LEU A 67 108.369 -4.807 -1.357 1.00 0.00 C ATOM 1081 CD1 LEU A 67 108.826 -6.242 -1.619 1.00 0.00 C ATOM 1082 CD2 LEU A 67 106.867 -4.701 -1.634 1.00 0.00 C ATOM 0 H LEU A 67 109.363 -3.346 2.253 1.00 0.00 H new ATOM 0 HA LEU A 67 110.722 -4.003 -0.256 1.00 0.00 H new ATOM 0 HB2 LEU A 67 108.827 -5.341 0.684 1.00 0.00 H new ATOM 0 HB3 LEU A 67 107.770 -3.952 0.533 1.00 0.00 H new ATOM 0 HG LEU A 67 108.914 -4.125 -2.010 1.00 0.00 H new ATOM 0 HD11 LEU A 67 108.629 -6.502 -2.659 1.00 0.00 H new ATOM 0 HD12 LEU A 67 109.894 -6.326 -1.420 1.00 0.00 H new ATOM 0 HD13 LEU A 67 108.281 -6.923 -0.965 1.00 0.00 H new ATOM 0 HD21 LEU A 67 106.669 -4.963 -2.673 1.00 0.00 H new ATOM 0 HD22 LEU A 67 106.327 -5.384 -0.978 1.00 0.00 H new ATOM 0 HD23 LEU A 67 106.534 -3.680 -1.448 1.00 0.00 H new ATOM 1094 N PHE A 68 110.571 -1.679 -1.198 1.00 0.00 N ATOM 1095 CA PHE A 68 110.394 -0.430 -1.980 1.00 0.00 C ATOM 1096 C PHE A 68 109.750 -0.802 -3.312 1.00 0.00 C ATOM 1097 O PHE A 68 110.171 -1.738 -3.951 1.00 0.00 O ATOM 1098 CB PHE A 68 111.779 0.172 -2.235 1.00 0.00 C ATOM 1099 CG PHE A 68 111.712 1.673 -2.186 1.00 0.00 C ATOM 1100 CD1 PHE A 68 111.051 2.314 -1.134 1.00 0.00 C ATOM 1101 CD2 PHE A 68 112.323 2.427 -3.194 1.00 0.00 C ATOM 1102 CE1 PHE A 68 110.998 3.710 -1.090 1.00 0.00 C ATOM 1103 CE2 PHE A 68 112.269 3.820 -3.153 1.00 0.00 C ATOM 1104 CZ PHE A 68 111.606 4.465 -2.101 1.00 0.00 C ATOM 0 H PHE A 68 111.519 -2.054 -1.197 1.00 0.00 H new ATOM 0 HA PHE A 68 109.770 0.288 -1.448 1.00 0.00 H new ATOM 0 HB2 PHE A 68 112.484 -0.192 -1.488 1.00 0.00 H new ATOM 0 HB3 PHE A 68 112.150 -0.151 -3.208 1.00 0.00 H new ATOM 0 HD1 PHE A 68 110.582 1.731 -0.356 1.00 0.00 H new ATOM 0 HD2 PHE A 68 112.836 1.930 -4.004 1.00 0.00 H new ATOM 0 HE1 PHE A 68 110.489 4.206 -0.277 1.00 0.00 H new ATOM 0 HE2 PHE A 68 112.738 4.402 -3.933 1.00 0.00 H new ATOM 0 HZ PHE A 68 111.564 5.544 -2.070 1.00 0.00 H new ATOM 1114 N PHE A 69 108.731 -0.103 -3.739 1.00 0.00 N ATOM 1115 CA PHE A 69 108.099 -0.476 -5.038 1.00 0.00 C ATOM 1116 C PHE A 69 107.413 0.735 -5.673 1.00 0.00 C ATOM 1117 O PHE A 69 106.641 1.436 -5.048 1.00 0.00 O ATOM 1118 CB PHE A 69 107.084 -1.608 -4.819 1.00 0.00 C ATOM 1119 CG PHE A 69 105.832 -1.084 -4.155 1.00 0.00 C ATOM 1120 CD1 PHE A 69 105.856 -0.710 -2.806 1.00 0.00 C ATOM 1121 CD2 PHE A 69 104.639 -0.990 -4.885 1.00 0.00 C ATOM 1122 CE1 PHE A 69 104.690 -0.239 -2.190 1.00 0.00 C ATOM 1123 CE2 PHE A 69 103.474 -0.522 -4.268 1.00 0.00 C ATOM 1124 CZ PHE A 69 103.500 -0.145 -2.921 1.00 0.00 C ATOM 0 H PHE A 69 108.316 0.694 -3.256 1.00 0.00 H new ATOM 0 HA PHE A 69 108.878 -0.822 -5.718 1.00 0.00 H new ATOM 0 HB2 PHE A 69 106.830 -2.065 -5.775 1.00 0.00 H new ATOM 0 HB3 PHE A 69 107.530 -2.388 -4.201 1.00 0.00 H new ATOM 0 HD1 PHE A 69 106.773 -0.785 -2.241 1.00 0.00 H new ATOM 0 HD2 PHE A 69 104.619 -1.279 -5.925 1.00 0.00 H new ATOM 0 HE1 PHE A 69 104.709 0.052 -1.150 1.00 0.00 H new ATOM 0 HE2 PHE A 69 102.555 -0.452 -4.831 1.00 0.00 H new ATOM 0 HZ PHE A 69 102.601 0.219 -2.445 1.00 0.00 H new ATOM 1134 N LEU A 70 107.702 0.978 -6.925 1.00 0.00 N ATOM 1135 CA LEU A 70 107.088 2.130 -7.640 1.00 0.00 C ATOM 1136 C LEU A 70 105.828 1.661 -8.367 1.00 0.00 C ATOM 1137 O LEU A 70 105.430 0.517 -8.266 1.00 0.00 O ATOM 1138 CB LEU A 70 108.082 2.667 -8.673 1.00 0.00 C ATOM 1139 CG LEU A 70 108.407 4.132 -8.382 1.00 0.00 C ATOM 1140 CD1 LEU A 70 109.215 4.233 -7.087 1.00 0.00 C ATOM 1141 CD2 LEU A 70 109.227 4.700 -9.543 1.00 0.00 C ATOM 0 H LEU A 70 108.345 0.419 -7.486 1.00 0.00 H new ATOM 0 HA LEU A 70 106.834 2.911 -6.923 1.00 0.00 H new ATOM 0 HB2 LEU A 70 108.996 2.073 -8.652 1.00 0.00 H new ATOM 0 HB3 LEU A 70 107.663 2.572 -9.675 1.00 0.00 H new ATOM 0 HG LEU A 70 107.482 4.698 -8.271 1.00 0.00 H new ATOM 0 HD11 LEU A 70 109.445 5.279 -6.882 1.00 0.00 H new ATOM 0 HD12 LEU A 70 108.633 3.821 -6.262 1.00 0.00 H new ATOM 0 HD13 LEU A 70 110.143 3.671 -7.192 1.00 0.00 H new ATOM 0 HD21 LEU A 70 109.464 5.745 -9.344 1.00 0.00 H new ATOM 0 HD22 LEU A 70 110.152 4.132 -9.648 1.00 0.00 H new ATOM 0 HD23 LEU A 70 108.651 4.628 -10.465 1.00 0.00 H new ATOM 1153 N THR A 71 105.200 2.532 -9.107 1.00 0.00 N ATOM 1154 CA THR A 71 103.973 2.136 -9.849 1.00 0.00 C ATOM 1155 C THR A 71 103.742 3.119 -11.003 1.00 0.00 C ATOM 1156 O THR A 71 104.045 4.289 -10.884 1.00 0.00 O ATOM 1157 CB THR A 71 102.772 2.168 -8.901 1.00 0.00 C ATOM 1158 OG1 THR A 71 102.723 3.432 -8.255 1.00 0.00 O ATOM 1159 CG2 THR A 71 102.909 1.064 -7.850 1.00 0.00 C ATOM 0 H THR A 71 105.485 3.504 -9.229 1.00 0.00 H new ATOM 0 HA THR A 71 104.093 1.128 -10.246 1.00 0.00 H new ATOM 0 HB THR A 71 101.856 2.007 -9.470 1.00 0.00 H new ATOM 0 HG1 THR A 71 101.793 3.654 -8.042 1.00 0.00 H new ATOM 0 HG21 THR A 71 102.051 1.092 -7.178 1.00 0.00 H new ATOM 0 HG22 THR A 71 102.951 0.094 -8.345 1.00 0.00 H new ATOM 0 HG23 THR A 71 103.823 1.219 -7.277 1.00 0.00 H new ATOM 1167 N PRO A 72 103.213 2.612 -12.088 1.00 0.00 N ATOM 1168 CA PRO A 72 102.929 3.421 -13.286 1.00 0.00 C ATOM 1169 C PRO A 72 101.668 4.263 -13.078 1.00 0.00 C ATOM 1170 O PRO A 72 101.741 5.433 -12.760 1.00 0.00 O ATOM 1171 CB PRO A 72 102.732 2.379 -14.390 1.00 0.00 C ATOM 1172 CG PRO A 72 102.364 1.055 -13.679 1.00 0.00 C ATOM 1173 CD PRO A 72 102.844 1.188 -12.221 1.00 0.00 C ATOM 0 HA PRO A 72 103.722 4.130 -13.524 1.00 0.00 H new ATOM 0 HB2 PRO A 72 101.942 2.684 -15.076 1.00 0.00 H new ATOM 0 HB3 PRO A 72 103.640 2.263 -14.981 1.00 0.00 H new ATOM 0 HG2 PRO A 72 101.289 0.880 -13.718 1.00 0.00 H new ATOM 0 HG3 PRO A 72 102.843 0.207 -14.168 1.00 0.00 H new ATOM 0 HD2 PRO A 72 102.059 0.913 -11.517 1.00 0.00 H new ATOM 0 HD3 PRO A 72 103.694 0.536 -12.021 1.00 0.00 H new ATOM 1181 N HIS A 73 100.508 3.685 -13.250 1.00 0.00 N ATOM 1182 CA HIS A 73 99.262 4.477 -13.052 1.00 0.00 C ATOM 1183 C HIS A 73 99.359 5.226 -11.721 1.00 0.00 C ATOM 1184 O HIS A 73 100.298 5.050 -10.971 1.00 0.00 O ATOM 1185 CB HIS A 73 98.040 3.547 -13.047 1.00 0.00 C ATOM 1186 CG HIS A 73 98.197 2.475 -12.000 1.00 0.00 C ATOM 1187 ND1 HIS A 73 97.319 2.353 -10.932 1.00 0.00 N ATOM 1188 CD2 HIS A 73 99.109 1.458 -11.849 1.00 0.00 C ATOM 1189 CE1 HIS A 73 97.718 1.301 -10.194 1.00 0.00 C ATOM 1190 NE2 HIS A 73 98.803 0.719 -10.710 1.00 0.00 N ATOM 0 H HIS A 73 100.371 2.710 -13.516 1.00 0.00 H new ATOM 0 HA HIS A 73 99.147 5.191 -13.868 1.00 0.00 H new ATOM 0 HB2 HIS A 73 97.137 4.125 -12.852 1.00 0.00 H new ATOM 0 HB3 HIS A 73 97.920 3.090 -14.029 1.00 0.00 H new ATOM 0 HD2 HIS A 73 99.938 1.262 -12.513 1.00 0.00 H new ATOM 0 HE1 HIS A 73 97.221 0.968 -9.295 1.00 0.00 H new ATOM 0 HE2 HIS A 73 99.301 -0.094 -10.347 1.00 0.00 H new ATOM 1198 N ARG A 74 98.409 6.068 -11.422 1.00 0.00 N ATOM 1199 CA ARG A 74 98.473 6.823 -10.138 1.00 0.00 C ATOM 1200 C ARG A 74 97.481 6.222 -9.144 1.00 0.00 C ATOM 1201 O ARG A 74 96.437 5.724 -9.516 1.00 0.00 O ATOM 1202 CB ARG A 74 98.126 8.293 -10.383 1.00 0.00 C ATOM 1203 CG ARG A 74 99.152 9.181 -9.674 1.00 0.00 C ATOM 1204 CD ARG A 74 99.241 10.532 -10.387 1.00 0.00 C ATOM 1205 NE ARG A 74 99.302 10.315 -11.860 1.00 0.00 N ATOM 1206 CZ ARG A 74 100.412 9.912 -12.415 1.00 0.00 C ATOM 1207 NH1 ARG A 74 101.305 10.784 -12.798 1.00 0.00 N ATOM 1208 NH2 ARG A 74 100.630 8.637 -12.587 1.00 0.00 N ATOM 0 H ARG A 74 97.596 6.266 -12.006 1.00 0.00 H new ATOM 0 HA ARG A 74 99.482 6.756 -9.731 1.00 0.00 H new ATOM 0 HB2 ARG A 74 98.123 8.504 -11.452 1.00 0.00 H new ATOM 0 HB3 ARG A 74 97.124 8.509 -10.012 1.00 0.00 H new ATOM 0 HG2 ARG A 74 98.864 9.326 -8.633 1.00 0.00 H new ATOM 0 HG3 ARG A 74 100.128 8.695 -9.670 1.00 0.00 H new ATOM 0 HD2 ARG A 74 98.376 11.146 -10.135 1.00 0.00 H new ATOM 0 HD3 ARG A 74 100.125 11.074 -10.052 1.00 0.00 H new ATOM 0 HE ARG A 74 98.476 10.482 -12.435 1.00 0.00 H new ATOM 0 HH11 ARG A 74 101.135 11.781 -12.663 1.00 0.00 H new ATOM 0 HH12 ARG A 74 102.173 10.469 -13.232 1.00 0.00 H new ATOM 0 HH21 ARG A 74 99.933 7.955 -12.288 1.00 0.00 H new ATOM 0 HH22 ARG A 74 101.498 8.322 -13.021 1.00 0.00 H new ATOM 1222 N HIS A 75 97.802 6.259 -7.879 1.00 0.00 N ATOM 1223 CA HIS A 75 96.879 5.682 -6.859 1.00 0.00 C ATOM 1224 C HIS A 75 97.046 6.435 -5.542 1.00 0.00 C ATOM 1225 O HIS A 75 98.041 7.094 -5.312 1.00 0.00 O ATOM 1226 CB HIS A 75 97.202 4.198 -6.617 1.00 0.00 C ATOM 1227 CG HIS A 75 98.362 3.764 -7.473 1.00 0.00 C ATOM 1228 ND1 HIS A 75 98.280 3.693 -8.853 1.00 0.00 N ATOM 1229 CD2 HIS A 75 99.641 3.382 -7.154 1.00 0.00 C ATOM 1230 CE1 HIS A 75 99.478 3.284 -9.308 1.00 0.00 C ATOM 1231 NE2 HIS A 75 100.340 3.080 -8.314 1.00 0.00 N ATOM 0 H HIS A 75 98.662 6.663 -7.508 1.00 0.00 H new ATOM 0 HA HIS A 75 95.857 5.774 -7.226 1.00 0.00 H new ATOM 0 HB2 HIS A 75 97.439 4.038 -5.565 1.00 0.00 H new ATOM 0 HB3 HIS A 75 96.327 3.588 -6.843 1.00 0.00 H new ATOM 0 HD1 HIS A 75 97.461 3.911 -9.421 1.00 0.00 H new ATOM 0 HD2 HIS A 75 100.042 3.325 -6.153 1.00 0.00 H new ATOM 0 HE1 HIS A 75 99.712 3.139 -10.352 1.00 0.00 H new ATOM 1239 N ARG A 76 96.086 6.329 -4.671 1.00 0.00 N ATOM 1240 CA ARG A 76 96.193 7.020 -3.359 1.00 0.00 C ATOM 1241 C ARG A 76 96.750 6.034 -2.335 1.00 0.00 C ATOM 1242 O ARG A 76 96.481 4.852 -2.393 1.00 0.00 O ATOM 1243 CB ARG A 76 94.807 7.495 -2.916 1.00 0.00 C ATOM 1244 CG ARG A 76 94.869 8.978 -2.550 1.00 0.00 C ATOM 1245 CD ARG A 76 93.819 9.747 -3.353 1.00 0.00 C ATOM 1246 NE ARG A 76 92.560 8.951 -3.414 1.00 0.00 N ATOM 1247 CZ ARG A 76 91.763 9.068 -4.441 1.00 0.00 C ATOM 1248 NH1 ARG A 76 91.980 8.367 -5.520 1.00 0.00 N ATOM 1249 NH2 ARG A 76 90.748 9.886 -4.389 1.00 0.00 N ATOM 0 H ARG A 76 95.230 5.793 -4.811 1.00 0.00 H new ATOM 0 HA ARG A 76 96.854 7.883 -3.443 1.00 0.00 H new ATOM 0 HB2 ARG A 76 94.084 7.337 -3.716 1.00 0.00 H new ATOM 0 HB3 ARG A 76 94.468 6.912 -2.060 1.00 0.00 H new ATOM 0 HG2 ARG A 76 94.692 9.107 -1.482 1.00 0.00 H new ATOM 0 HG3 ARG A 76 95.863 9.374 -2.759 1.00 0.00 H new ATOM 0 HD2 ARG A 76 93.628 10.715 -2.889 1.00 0.00 H new ATOM 0 HD3 ARG A 76 94.187 9.943 -4.360 1.00 0.00 H new ATOM 0 HE ARG A 76 92.321 8.315 -2.653 1.00 0.00 H new ATOM 0 HH11 ARG A 76 92.773 7.727 -5.561 1.00 0.00 H new ATOM 0 HH12 ARG A 76 91.357 8.459 -6.322 1.00 0.00 H new ATOM 0 HH21 ARG A 76 90.577 10.434 -3.546 1.00 0.00 H new ATOM 0 HH22 ARG A 76 90.125 9.978 -5.192 1.00 0.00 H new ATOM 1263 N VAL A 77 97.527 6.502 -1.400 1.00 0.00 N ATOM 1264 CA VAL A 77 98.095 5.575 -0.383 1.00 0.00 C ATOM 1265 C VAL A 77 96.958 4.803 0.291 1.00 0.00 C ATOM 1266 O VAL A 77 97.172 3.776 0.902 1.00 0.00 O ATOM 1267 CB VAL A 77 98.883 6.374 0.657 1.00 0.00 C ATOM 1268 CG1 VAL A 77 99.105 5.525 1.910 1.00 0.00 C ATOM 1269 CG2 VAL A 77 100.237 6.763 0.062 1.00 0.00 C ATOM 0 H VAL A 77 97.793 7.481 -1.296 1.00 0.00 H new ATOM 0 HA VAL A 77 98.768 4.867 -0.866 1.00 0.00 H new ATOM 0 HB VAL A 77 98.323 7.269 0.928 1.00 0.00 H new ATOM 0 HG11 VAL A 77 99.667 6.101 2.645 1.00 0.00 H new ATOM 0 HG12 VAL A 77 98.141 5.240 2.332 1.00 0.00 H new ATOM 0 HG13 VAL A 77 99.666 4.628 1.647 1.00 0.00 H new ATOM 0 HG21 VAL A 77 100.807 7.333 0.796 1.00 0.00 H new ATOM 0 HG22 VAL A 77 100.789 5.862 -0.206 1.00 0.00 H new ATOM 0 HG23 VAL A 77 100.082 7.371 -0.829 1.00 0.00 H new ATOM 1279 N SER A 78 95.749 5.281 0.176 1.00 0.00 N ATOM 1280 CA SER A 78 94.606 4.560 0.801 1.00 0.00 C ATOM 1281 C SER A 78 94.298 3.311 -0.028 1.00 0.00 C ATOM 1282 O SER A 78 94.031 2.251 0.502 1.00 0.00 O ATOM 1283 CB SER A 78 93.381 5.473 0.834 1.00 0.00 C ATOM 1284 OG SER A 78 92.956 5.737 -0.495 1.00 0.00 O ATOM 0 H SER A 78 95.505 6.137 -0.322 1.00 0.00 H new ATOM 0 HA SER A 78 94.861 4.272 1.821 1.00 0.00 H new ATOM 0 HB2 SER A 78 92.577 5.001 1.398 1.00 0.00 H new ATOM 0 HB3 SER A 78 93.622 6.406 1.343 1.00 0.00 H new ATOM 0 HG SER A 78 92.169 6.321 -0.477 1.00 0.00 H new ATOM 1290 N ALA A 79 94.342 3.429 -1.329 1.00 0.00 N ATOM 1291 CA ALA A 79 94.063 2.249 -2.197 1.00 0.00 C ATOM 1292 C ALA A 79 95.210 1.246 -2.063 1.00 0.00 C ATOM 1293 O ALA A 79 94.997 0.074 -1.824 1.00 0.00 O ATOM 1294 CB ALA A 79 93.945 2.703 -3.653 1.00 0.00 C ATOM 0 H ALA A 79 94.559 4.292 -1.827 1.00 0.00 H new ATOM 0 HA ALA A 79 93.129 1.779 -1.890 1.00 0.00 H new ATOM 0 HB1 ALA A 79 93.741 1.841 -4.288 1.00 0.00 H new ATOM 0 HB2 ALA A 79 93.131 3.422 -3.745 1.00 0.00 H new ATOM 0 HB3 ALA A 79 94.879 3.170 -3.965 1.00 0.00 H new ATOM 1300 N ILE A 80 96.426 1.701 -2.202 1.00 0.00 N ATOM 1301 CA ILE A 80 97.585 0.779 -2.066 1.00 0.00 C ATOM 1302 C ILE A 80 97.610 0.256 -0.632 1.00 0.00 C ATOM 1303 O ILE A 80 98.049 -0.845 -0.364 1.00 0.00 O ATOM 1304 CB ILE A 80 98.884 1.533 -2.359 1.00 0.00 C ATOM 1305 CG1 ILE A 80 98.866 2.051 -3.804 1.00 0.00 C ATOM 1306 CG2 ILE A 80 100.074 0.592 -2.166 1.00 0.00 C ATOM 1307 CD1 ILE A 80 99.140 0.900 -4.773 1.00 0.00 C ATOM 0 H ILE A 80 96.665 2.672 -2.404 1.00 0.00 H new ATOM 0 HA ILE A 80 97.493 -0.048 -2.771 1.00 0.00 H new ATOM 0 HB ILE A 80 98.974 2.377 -1.676 1.00 0.00 H new ATOM 0 HG12 ILE A 80 97.899 2.502 -4.026 1.00 0.00 H new ATOM 0 HG13 ILE A 80 99.618 2.830 -3.930 1.00 0.00 H new ATOM 0 HG21 ILE A 80 101.000 1.128 -2.375 1.00 0.00 H new ATOM 0 HG22 ILE A 80 100.088 0.230 -1.138 1.00 0.00 H new ATOM 0 HG23 ILE A 80 99.983 -0.254 -2.848 1.00 0.00 H new ATOM 0 HD11 ILE A 80 99.126 1.275 -5.796 1.00 0.00 H new ATOM 0 HD12 ILE A 80 100.118 0.468 -4.558 1.00 0.00 H new ATOM 0 HD13 ILE A 80 98.372 0.135 -4.656 1.00 0.00 H new ATOM 1319 N ASN A 81 97.124 1.041 0.290 1.00 0.00 N ATOM 1320 CA ASN A 81 97.094 0.599 1.708 1.00 0.00 C ATOM 1321 C ASN A 81 96.068 -0.523 1.841 1.00 0.00 C ATOM 1322 O ASN A 81 96.157 -1.363 2.710 1.00 0.00 O ATOM 1323 CB ASN A 81 96.692 1.773 2.606 1.00 0.00 C ATOM 1324 CG ASN A 81 96.366 1.256 4.008 1.00 0.00 C ATOM 1325 OD1 ASN A 81 95.233 0.644 4.218 1.00 0.00 O flip ATOM 1326 ND2 ASN A 81 97.151 1.412 4.923 1.00 0.00 N flip ATOM 0 H ASN A 81 96.746 1.973 0.119 1.00 0.00 H new ATOM 0 HA ASN A 81 98.079 0.245 2.011 1.00 0.00 H new ATOM 0 HB2 ASN A 81 97.502 2.501 2.655 1.00 0.00 H new ATOM 0 HB3 ASN A 81 95.827 2.286 2.186 1.00 0.00 H new ATOM 0 HD21 ASN A 81 98.037 1.890 4.759 1.00 0.00 H new ATOM 0 HD22 ASN A 81 96.924 1.064 5.855 1.00 0.00 H new ATOM 1333 N ASN A 82 95.097 -0.549 0.972 1.00 0.00 N ATOM 1334 CA ASN A 82 94.075 -1.626 1.038 1.00 0.00 C ATOM 1335 C ASN A 82 94.730 -2.945 0.629 1.00 0.00 C ATOM 1336 O ASN A 82 94.256 -4.014 0.955 1.00 0.00 O ATOM 1337 CB ASN A 82 92.924 -1.303 0.083 1.00 0.00 C ATOM 1338 CG ASN A 82 91.767 -2.272 0.334 1.00 0.00 C ATOM 1339 OD1 ASN A 82 91.712 -2.919 1.361 1.00 0.00 O ATOM 1340 ND2 ASN A 82 90.832 -2.401 -0.567 1.00 0.00 N ATOM 0 H ASN A 82 94.968 0.128 0.220 1.00 0.00 H new ATOM 0 HA ASN A 82 93.681 -1.705 2.051 1.00 0.00 H new ATOM 0 HB2 ASN A 82 92.591 -0.276 0.232 1.00 0.00 H new ATOM 0 HB3 ASN A 82 93.261 -1.382 -0.950 1.00 0.00 H new ATOM 0 HD21 ASN A 82 90.056 -3.044 -0.409 1.00 0.00 H new ATOM 0 HD22 ASN A 82 90.877 -1.859 -1.430 1.00 0.00 H new ATOM 1347 N TYR A 83 95.822 -2.873 -0.085 1.00 0.00 N ATOM 1348 CA TYR A 83 96.515 -4.122 -0.517 1.00 0.00 C ATOM 1349 C TYR A 83 97.535 -4.536 0.549 1.00 0.00 C ATOM 1350 O TYR A 83 97.418 -5.581 1.157 1.00 0.00 O ATOM 1351 CB TYR A 83 97.233 -3.868 -1.846 1.00 0.00 C ATOM 1352 CG TYR A 83 98.012 -5.095 -2.273 1.00 0.00 C ATOM 1353 CD1 TYR A 83 97.855 -6.318 -1.600 1.00 0.00 C ATOM 1354 CD2 TYR A 83 98.899 -5.007 -3.352 1.00 0.00 C ATOM 1355 CE1 TYR A 83 98.584 -7.439 -2.007 1.00 0.00 C ATOM 1356 CE2 TYR A 83 99.625 -6.130 -3.758 1.00 0.00 C ATOM 1357 CZ TYR A 83 99.468 -7.346 -3.087 1.00 0.00 C ATOM 1358 OH TYR A 83 100.186 -8.453 -3.489 1.00 0.00 O ATOM 0 H TYR A 83 96.264 -2.005 -0.387 1.00 0.00 H new ATOM 0 HA TYR A 83 95.785 -4.921 -0.645 1.00 0.00 H new ATOM 0 HB2 TYR A 83 96.506 -3.607 -2.615 1.00 0.00 H new ATOM 0 HB3 TYR A 83 97.909 -3.019 -1.744 1.00 0.00 H new ATOM 0 HD1 TYR A 83 97.171 -6.392 -0.768 1.00 0.00 H new ATOM 0 HD2 TYR A 83 99.023 -4.069 -3.872 1.00 0.00 H new ATOM 0 HE1 TYR A 83 98.465 -8.378 -1.487 1.00 0.00 H new ATOM 0 HE2 TYR A 83 100.308 -6.058 -4.591 1.00 0.00 H new ATOM 0 HH TYR A 83 100.923 -8.610 -2.862 1.00 0.00 H new ATOM 1368 N ALA A 84 98.536 -3.729 0.776 1.00 0.00 N ATOM 1369 CA ALA A 84 99.561 -4.084 1.799 1.00 0.00 C ATOM 1370 C ALA A 84 98.886 -4.310 3.152 1.00 0.00 C ATOM 1371 O ALA A 84 99.230 -5.217 3.885 1.00 0.00 O ATOM 1372 CB ALA A 84 100.573 -2.943 1.920 1.00 0.00 C ATOM 0 H ALA A 84 98.688 -2.841 0.298 1.00 0.00 H new ATOM 0 HA ALA A 84 100.072 -4.998 1.495 1.00 0.00 H new ATOM 0 HB1 ALA A 84 101.324 -3.200 2.667 1.00 0.00 H new ATOM 0 HB2 ALA A 84 101.059 -2.784 0.957 1.00 0.00 H new ATOM 0 HB3 ALA A 84 100.058 -2.031 2.222 1.00 0.00 H new ATOM 1378 N GLN A 85 97.935 -3.489 3.491 1.00 0.00 N ATOM 1379 CA GLN A 85 97.240 -3.647 4.801 1.00 0.00 C ATOM 1380 C GLN A 85 96.410 -4.934 4.797 1.00 0.00 C ATOM 1381 O GLN A 85 96.109 -5.489 5.835 1.00 0.00 O ATOM 1382 CB GLN A 85 96.324 -2.446 5.041 1.00 0.00 C ATOM 1383 CG GLN A 85 96.059 -2.295 6.539 1.00 0.00 C ATOM 1384 CD GLN A 85 97.214 -1.525 7.184 1.00 0.00 C ATOM 1385 OE1 GLN A 85 97.509 -0.412 6.796 1.00 0.00 O ATOM 1386 NE2 GLN A 85 97.885 -2.076 8.157 1.00 0.00 N ATOM 0 H GLN A 85 97.606 -2.712 2.917 1.00 0.00 H new ATOM 0 HA GLN A 85 97.982 -3.703 5.597 1.00 0.00 H new ATOM 0 HB2 GLN A 85 96.786 -1.540 4.650 1.00 0.00 H new ATOM 0 HB3 GLN A 85 95.384 -2.581 4.507 1.00 0.00 H new ATOM 0 HG2 GLN A 85 95.119 -1.767 6.702 1.00 0.00 H new ATOM 0 HG3 GLN A 85 95.958 -3.276 7.002 1.00 0.00 H new ATOM 0 HE21 GLN A 85 97.637 -3.010 8.482 1.00 0.00 H new ATOM 0 HE22 GLN A 85 98.658 -1.573 8.593 1.00 0.00 H new ATOM 1395 N LYS A 86 96.042 -5.418 3.642 1.00 0.00 N ATOM 1396 CA LYS A 86 95.240 -6.673 3.586 1.00 0.00 C ATOM 1397 C LYS A 86 96.161 -7.875 3.803 1.00 0.00 C ATOM 1398 O LYS A 86 95.736 -9.012 3.759 1.00 0.00 O ATOM 1399 CB LYS A 86 94.565 -6.791 2.218 1.00 0.00 C ATOM 1400 CG LYS A 86 93.489 -7.878 2.271 1.00 0.00 C ATOM 1401 CD LYS A 86 92.149 -7.292 1.823 1.00 0.00 C ATOM 1402 CE LYS A 86 91.553 -6.455 2.956 1.00 0.00 C ATOM 1403 NZ LYS A 86 91.030 -7.359 4.019 1.00 0.00 N ATOM 0 H LYS A 86 96.261 -5.000 2.738 1.00 0.00 H new ATOM 0 HA LYS A 86 94.478 -6.650 4.365 1.00 0.00 H new ATOM 0 HB2 LYS A 86 94.119 -5.837 1.937 1.00 0.00 H new ATOM 0 HB3 LYS A 86 95.305 -7.034 1.455 1.00 0.00 H new ATOM 0 HG2 LYS A 86 93.767 -8.712 1.626 1.00 0.00 H new ATOM 0 HG3 LYS A 86 93.405 -8.272 3.284 1.00 0.00 H new ATOM 0 HD2 LYS A 86 92.289 -6.675 0.935 1.00 0.00 H new ATOM 0 HD3 LYS A 86 91.463 -8.094 1.549 1.00 0.00 H new ATOM 0 HE2 LYS A 86 92.312 -5.791 3.370 1.00 0.00 H new ATOM 0 HE3 LYS A 86 90.751 -5.824 2.573 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 90.343 -6.844 4.606 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 90.564 -8.179 3.580 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 91.817 -7.686 4.615 1.00 0.00 H new ATOM 1417 N LEU A 87 97.423 -7.631 4.033 1.00 0.00 N ATOM 1418 CA LEU A 87 98.373 -8.756 4.249 1.00 0.00 C ATOM 1419 C LEU A 87 98.812 -8.777 5.715 1.00 0.00 C ATOM 1420 O LEU A 87 99.889 -9.232 6.044 1.00 0.00 O ATOM 1421 CB LEU A 87 99.594 -8.559 3.347 1.00 0.00 C ATOM 1422 CG LEU A 87 99.158 -8.627 1.884 1.00 0.00 C ATOM 1423 CD1 LEU A 87 99.839 -7.507 1.096 1.00 0.00 C ATOM 1424 CD2 LEU A 87 99.558 -9.981 1.294 1.00 0.00 C ATOM 0 H LEU A 87 97.836 -6.700 4.080 1.00 0.00 H new ATOM 0 HA LEU A 87 97.889 -9.702 4.006 1.00 0.00 H new ATOM 0 HB2 LEU A 87 100.062 -7.597 3.554 1.00 0.00 H new ATOM 0 HB3 LEU A 87 100.340 -9.327 3.552 1.00 0.00 H new ATOM 0 HG LEU A 87 98.076 -8.509 1.822 1.00 0.00 H new ATOM 0 HD11 LEU A 87 99.528 -7.555 0.052 1.00 0.00 H new ATOM 0 HD12 LEU A 87 99.554 -6.542 1.515 1.00 0.00 H new ATOM 0 HD13 LEU A 87 100.921 -7.624 1.158 1.00 0.00 H new ATOM 0 HD21 LEU A 87 99.247 -10.029 0.250 1.00 0.00 H new ATOM 0 HD22 LEU A 87 100.640 -10.100 1.356 1.00 0.00 H new ATOM 0 HD23 LEU A 87 99.073 -10.780 1.855 1.00 0.00 H new ATOM 1436 N CYS A 88 97.984 -8.287 6.599 1.00 0.00 N ATOM 1437 CA CYS A 88 98.353 -8.278 8.043 1.00 0.00 C ATOM 1438 C CYS A 88 97.621 -9.411 8.766 1.00 0.00 C ATOM 1439 O CYS A 88 97.291 -9.305 9.931 1.00 0.00 O ATOM 1440 CB CYS A 88 97.952 -6.936 8.661 1.00 0.00 C ATOM 1441 SG CYS A 88 99.231 -6.400 9.823 1.00 0.00 S ATOM 0 H CYS A 88 97.068 -7.893 6.383 1.00 0.00 H new ATOM 0 HA CYS A 88 99.429 -8.420 8.144 1.00 0.00 H new ATOM 0 HB2 CYS A 88 97.820 -6.188 7.879 1.00 0.00 H new ATOM 0 HB3 CYS A 88 96.996 -7.032 9.175 1.00 0.00 H new ATOM 0 HG CYS A 88 99.911 -7.432 10.226 1.00 0.00 H new ATOM 1447 N THR A 89 97.366 -10.496 8.086 1.00 0.00 N ATOM 1448 CA THR A 89 96.655 -11.634 8.737 1.00 0.00 C ATOM 1449 C THR A 89 97.661 -12.733 9.086 1.00 0.00 C ATOM 1450 O THR A 89 97.332 -13.704 9.738 1.00 0.00 O ATOM 1451 CB THR A 89 95.601 -12.193 7.778 1.00 0.00 C ATOM 1452 OG1 THR A 89 96.049 -12.033 6.439 1.00 0.00 O ATOM 1453 CG2 THR A 89 94.284 -11.441 7.971 1.00 0.00 C ATOM 0 H THR A 89 97.619 -10.644 7.109 1.00 0.00 H new ATOM 0 HA THR A 89 96.169 -11.285 9.648 1.00 0.00 H new ATOM 0 HB THR A 89 95.446 -13.252 7.985 1.00 0.00 H new ATOM 0 HG1 THR A 89 96.885 -12.529 6.312 1.00 0.00 H new ATOM 0 HG21 THR A 89 93.534 -11.840 7.288 1.00 0.00 H new ATOM 0 HG22 THR A 89 93.941 -11.565 8.998 1.00 0.00 H new ATOM 0 HG23 THR A 89 94.436 -10.382 7.765 1.00 0.00 H new ATOM 1461 N PHE A 90 98.884 -12.590 8.656 1.00 0.00 N ATOM 1462 CA PHE A 90 99.912 -13.627 8.962 1.00 0.00 C ATOM 1463 C PHE A 90 100.966 -13.028 9.895 1.00 0.00 C ATOM 1464 O PHE A 90 101.637 -13.731 10.625 1.00 0.00 O ATOM 1465 CB PHE A 90 100.590 -14.106 7.667 1.00 0.00 C ATOM 1466 CG PHE A 90 100.220 -13.199 6.513 1.00 0.00 C ATOM 1467 CD1 PHE A 90 98.900 -13.164 6.048 1.00 0.00 C ATOM 1468 CD2 PHE A 90 101.196 -12.394 5.914 1.00 0.00 C ATOM 1469 CE1 PHE A 90 98.556 -12.324 4.982 1.00 0.00 C ATOM 1470 CE2 PHE A 90 100.852 -11.554 4.847 1.00 0.00 C ATOM 1471 CZ PHE A 90 99.532 -11.519 4.382 1.00 0.00 C ATOM 0 H PHE A 90 99.217 -11.799 8.105 1.00 0.00 H new ATOM 0 HA PHE A 90 99.428 -14.478 9.442 1.00 0.00 H new ATOM 0 HB2 PHE A 90 101.672 -14.116 7.798 1.00 0.00 H new ATOM 0 HB3 PHE A 90 100.286 -15.129 7.446 1.00 0.00 H new ATOM 0 HD1 PHE A 90 98.147 -13.785 6.511 1.00 0.00 H new ATOM 0 HD2 PHE A 90 102.214 -12.420 6.274 1.00 0.00 H new ATOM 0 HE1 PHE A 90 97.538 -12.297 4.623 1.00 0.00 H new ATOM 0 HE2 PHE A 90 101.605 -10.934 4.383 1.00 0.00 H new ATOM 0 HZ PHE A 90 99.266 -10.871 3.560 1.00 0.00 H new ATOM 1481 N SER A 91 101.114 -11.732 9.880 1.00 0.00 N ATOM 1482 CA SER A 91 102.121 -11.083 10.765 1.00 0.00 C ATOM 1483 C SER A 91 101.818 -9.586 10.861 1.00 0.00 C ATOM 1484 O SER A 91 100.711 -9.152 10.613 1.00 0.00 O ATOM 1485 CB SER A 91 103.520 -11.285 10.183 1.00 0.00 C ATOM 1486 OG SER A 91 103.490 -12.363 9.257 1.00 0.00 O ATOM 0 H SER A 91 100.579 -11.093 9.291 1.00 0.00 H new ATOM 0 HA SER A 91 102.076 -11.530 11.758 1.00 0.00 H new ATOM 0 HB2 SER A 91 103.856 -10.374 9.688 1.00 0.00 H new ATOM 0 HB3 SER A 91 104.232 -11.495 10.981 1.00 0.00 H new ATOM 0 HG SER A 91 104.385 -12.496 8.880 1.00 0.00 H new ATOM 1492 N PHE A 92 102.790 -8.793 11.219 1.00 0.00 N ATOM 1493 CA PHE A 92 102.549 -7.327 11.327 1.00 0.00 C ATOM 1494 C PHE A 92 102.745 -6.680 9.950 1.00 0.00 C ATOM 1495 O PHE A 92 103.241 -7.299 9.032 1.00 0.00 O ATOM 1496 CB PHE A 92 103.524 -6.724 12.355 1.00 0.00 C ATOM 1497 CG PHE A 92 104.795 -6.254 11.678 1.00 0.00 C ATOM 1498 CD1 PHE A 92 104.835 -4.997 11.065 1.00 0.00 C ATOM 1499 CD2 PHE A 92 105.931 -7.075 11.663 1.00 0.00 C ATOM 1500 CE1 PHE A 92 106.007 -4.559 10.439 1.00 0.00 C ATOM 1501 CE2 PHE A 92 107.102 -6.636 11.038 1.00 0.00 C ATOM 1502 CZ PHE A 92 107.140 -5.379 10.425 1.00 0.00 C ATOM 0 H PHE A 92 103.738 -9.096 11.441 1.00 0.00 H new ATOM 0 HA PHE A 92 101.529 -7.138 11.661 1.00 0.00 H new ATOM 0 HB2 PHE A 92 103.048 -5.888 12.867 1.00 0.00 H new ATOM 0 HB3 PHE A 92 103.765 -7.468 13.115 1.00 0.00 H new ATOM 0 HD1 PHE A 92 103.960 -4.364 11.075 1.00 0.00 H new ATOM 0 HD2 PHE A 92 105.902 -8.046 12.134 1.00 0.00 H new ATOM 0 HE1 PHE A 92 106.037 -3.588 9.967 1.00 0.00 H new ATOM 0 HE2 PHE A 92 107.978 -7.268 11.028 1.00 0.00 H new ATOM 0 HZ PHE A 92 108.045 -5.042 9.941 1.00 0.00 H new ATOM 1512 N LEU A 93 102.368 -5.441 9.802 1.00 0.00 N ATOM 1513 CA LEU A 93 102.545 -4.772 8.484 1.00 0.00 C ATOM 1514 C LEU A 93 102.512 -3.253 8.665 1.00 0.00 C ATOM 1515 O LEU A 93 101.684 -2.718 9.374 1.00 0.00 O ATOM 1516 CB LEU A 93 101.420 -5.195 7.539 1.00 0.00 C ATOM 1517 CG LEU A 93 101.673 -4.600 6.152 1.00 0.00 C ATOM 1518 CD1 LEU A 93 101.483 -5.680 5.086 1.00 0.00 C ATOM 1519 CD2 LEU A 93 100.686 -3.457 5.903 1.00 0.00 C ATOM 0 H LEU A 93 101.948 -4.866 10.532 1.00 0.00 H new ATOM 0 HA LEU A 93 103.506 -5.064 8.061 1.00 0.00 H new ATOM 0 HB2 LEU A 93 101.371 -6.282 7.477 1.00 0.00 H new ATOM 0 HB3 LEU A 93 100.459 -4.854 7.924 1.00 0.00 H new ATOM 0 HG LEU A 93 102.693 -4.220 6.101 1.00 0.00 H new ATOM 0 HD11 LEU A 93 101.664 -5.253 4.099 1.00 0.00 H new ATOM 0 HD12 LEU A 93 102.186 -6.494 5.264 1.00 0.00 H new ATOM 0 HD13 LEU A 93 100.464 -6.063 5.134 1.00 0.00 H new ATOM 0 HD21 LEU A 93 100.864 -3.031 4.916 1.00 0.00 H new ATOM 0 HD22 LEU A 93 99.666 -3.839 5.955 1.00 0.00 H new ATOM 0 HD23 LEU A 93 100.824 -2.686 6.661 1.00 0.00 H new ATOM 1531 N ILE A 94 103.409 -2.556 8.024 1.00 0.00 N ATOM 1532 CA ILE A 94 103.435 -1.072 8.149 1.00 0.00 C ATOM 1533 C ILE A 94 103.630 -0.457 6.763 1.00 0.00 C ATOM 1534 O ILE A 94 104.702 0.000 6.420 1.00 0.00 O ATOM 1535 CB ILE A 94 104.588 -0.654 9.061 1.00 0.00 C ATOM 1536 CG1 ILE A 94 104.372 -1.243 10.457 1.00 0.00 C ATOM 1537 CG2 ILE A 94 104.638 0.872 9.156 1.00 0.00 C ATOM 1538 CD1 ILE A 94 105.725 -1.579 11.086 1.00 0.00 C ATOM 0 H ILE A 94 104.127 -2.952 7.417 1.00 0.00 H new ATOM 0 HA ILE A 94 102.495 -0.724 8.577 1.00 0.00 H new ATOM 0 HB ILE A 94 105.528 -1.023 8.650 1.00 0.00 H new ATOM 0 HG12 ILE A 94 103.835 -0.531 11.084 1.00 0.00 H new ATOM 0 HG13 ILE A 94 103.756 -2.140 10.393 1.00 0.00 H new ATOM 0 HG21 ILE A 94 105.460 1.169 9.807 1.00 0.00 H new ATOM 0 HG22 ILE A 94 104.791 1.294 8.162 1.00 0.00 H new ATOM 0 HG23 ILE A 94 103.699 1.242 9.567 1.00 0.00 H new ATOM 0 HD11 ILE A 94 105.570 -1.998 12.080 1.00 0.00 H new ATOM 0 HD12 ILE A 94 106.246 -2.306 10.463 1.00 0.00 H new ATOM 0 HD13 ILE A 94 106.325 -0.672 11.164 1.00 0.00 H new ATOM 1550 N CYS A 95 102.601 -0.446 5.961 1.00 0.00 N ATOM 1551 CA CYS A 95 102.725 0.132 4.594 1.00 0.00 C ATOM 1552 C CYS A 95 102.632 1.658 4.676 1.00 0.00 C ATOM 1553 O CYS A 95 101.950 2.204 5.520 1.00 0.00 O ATOM 1554 CB CYS A 95 101.593 -0.405 3.715 1.00 0.00 C ATOM 1555 SG CYS A 95 101.535 0.522 2.160 1.00 0.00 S ATOM 0 H CYS A 95 101.678 -0.813 6.194 1.00 0.00 H new ATOM 0 HA CYS A 95 103.686 -0.148 4.162 1.00 0.00 H new ATOM 0 HB2 CYS A 95 101.749 -1.465 3.512 1.00 0.00 H new ATOM 0 HB3 CYS A 95 100.641 -0.317 4.238 1.00 0.00 H new ATOM 0 HG CYS A 95 100.574 0.061 1.416 1.00 0.00 H new ATOM 1561 N LYS A 96 103.312 2.352 3.804 1.00 0.00 N ATOM 1562 CA LYS A 96 103.261 3.841 3.830 1.00 0.00 C ATOM 1563 C LYS A 96 103.568 4.386 2.432 1.00 0.00 C ATOM 1564 O LYS A 96 104.022 3.669 1.564 1.00 0.00 O ATOM 1565 CB LYS A 96 104.298 4.372 4.822 1.00 0.00 C ATOM 1566 CG LYS A 96 103.733 5.600 5.540 1.00 0.00 C ATOM 1567 CD LYS A 96 104.386 5.731 6.918 1.00 0.00 C ATOM 1568 CE LYS A 96 103.493 5.074 7.971 1.00 0.00 C ATOM 1569 NZ LYS A 96 102.317 5.948 8.242 1.00 0.00 N ATOM 0 H LYS A 96 103.901 1.951 3.074 1.00 0.00 H new ATOM 0 HA LYS A 96 102.266 4.164 4.137 1.00 0.00 H new ATOM 0 HB2 LYS A 96 104.553 3.599 5.547 1.00 0.00 H new ATOM 0 HB3 LYS A 96 105.217 4.634 4.298 1.00 0.00 H new ATOM 0 HG2 LYS A 96 103.920 6.497 4.950 1.00 0.00 H new ATOM 0 HG3 LYS A 96 102.652 5.508 5.645 1.00 0.00 H new ATOM 0 HD2 LYS A 96 105.368 5.258 6.913 1.00 0.00 H new ATOM 0 HD3 LYS A 96 104.539 6.782 7.161 1.00 0.00 H new ATOM 0 HE2 LYS A 96 103.160 4.097 7.622 1.00 0.00 H new ATOM 0 HE3 LYS A 96 104.056 4.910 8.889 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 101.922 5.719 9.176 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 102.614 6.945 8.227 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 101.593 5.792 7.512 1.00 0.00 H new ATOM 1583 N GLY A 97 103.321 5.648 2.208 1.00 0.00 N ATOM 1584 CA GLY A 97 103.599 6.233 0.866 1.00 0.00 C ATOM 1585 C GLY A 97 104.981 6.889 0.868 1.00 0.00 C ATOM 1586 O GLY A 97 105.540 7.177 1.907 1.00 0.00 O ATOM 0 H GLY A 97 102.939 6.298 2.895 1.00 0.00 H new ATOM 0 HA2 GLY A 97 103.556 5.456 0.103 1.00 0.00 H new ATOM 0 HA3 GLY A 97 102.836 6.970 0.614 1.00 0.00 H new ATOM 1590 N VAL A 98 105.537 7.127 -0.289 1.00 0.00 N ATOM 1591 CA VAL A 98 106.882 7.764 -0.352 1.00 0.00 C ATOM 1592 C VAL A 98 106.811 9.019 -1.222 1.00 0.00 C ATOM 1593 O VAL A 98 106.401 8.971 -2.365 1.00 0.00 O ATOM 1594 CB VAL A 98 107.885 6.781 -0.957 1.00 0.00 C ATOM 1595 CG1 VAL A 98 109.299 7.355 -0.843 1.00 0.00 C ATOM 1596 CG2 VAL A 98 107.815 5.452 -0.201 1.00 0.00 C ATOM 0 H VAL A 98 105.118 6.908 -1.193 1.00 0.00 H new ATOM 0 HA VAL A 98 107.202 8.036 0.654 1.00 0.00 H new ATOM 0 HB VAL A 98 107.643 6.618 -2.007 1.00 0.00 H new ATOM 0 HG11 VAL A 98 110.013 6.653 -1.275 1.00 0.00 H new ATOM 0 HG12 VAL A 98 109.352 8.302 -1.380 1.00 0.00 H new ATOM 0 HG13 VAL A 98 109.541 7.519 0.207 1.00 0.00 H new ATOM 0 HG21 VAL A 98 108.530 4.750 -0.631 1.00 0.00 H new ATOM 0 HG22 VAL A 98 108.056 5.618 0.849 1.00 0.00 H new ATOM 0 HG23 VAL A 98 106.809 5.040 -0.281 1.00 0.00 H new ATOM 1606 N ASN A 99 107.209 10.143 -0.692 1.00 0.00 N ATOM 1607 CA ASN A 99 107.164 11.399 -1.492 1.00 0.00 C ATOM 1608 C ASN A 99 108.559 11.700 -2.046 1.00 0.00 C ATOM 1609 O ASN A 99 108.738 12.591 -2.853 1.00 0.00 O ATOM 1610 CB ASN A 99 106.709 12.554 -0.597 1.00 0.00 C ATOM 1611 CG ASN A 99 105.217 12.405 -0.292 1.00 0.00 C ATOM 1612 OD1 ASN A 99 104.434 12.091 -1.167 1.00 0.00 O ATOM 1613 ND2 ASN A 99 104.789 12.616 0.922 1.00 0.00 N ATOM 0 H ASN A 99 107.563 10.246 0.259 1.00 0.00 H new ATOM 0 HA ASN A 99 106.463 11.281 -2.319 1.00 0.00 H new ATOM 0 HB2 ASN A 99 107.282 12.557 0.330 1.00 0.00 H new ATOM 0 HB3 ASN A 99 106.897 13.507 -1.091 1.00 0.00 H new ATOM 0 HD21 ASN A 99 103.797 12.517 1.137 1.00 0.00 H new ATOM 0 HD22 ASN A 99 105.446 12.879 1.656 1.00 0.00 H new ATOM 1620 N LYS A 100 109.549 10.965 -1.618 1.00 0.00 N ATOM 1621 CA LYS A 100 110.931 11.210 -2.120 1.00 0.00 C ATOM 1622 C LYS A 100 111.553 9.886 -2.571 1.00 0.00 C ATOM 1623 O LYS A 100 112.532 9.431 -2.020 1.00 0.00 O ATOM 1624 CB LYS A 100 111.779 11.814 -0.998 1.00 0.00 C ATOM 1625 CG LYS A 100 112.358 13.152 -1.458 1.00 0.00 C ATOM 1626 CD LYS A 100 111.226 14.165 -1.642 1.00 0.00 C ATOM 1627 CE LYS A 100 111.593 15.143 -2.760 1.00 0.00 C ATOM 1628 NZ LYS A 100 110.366 15.520 -3.517 1.00 0.00 N ATOM 0 H LYS A 100 109.461 10.206 -0.943 1.00 0.00 H new ATOM 0 HA LYS A 100 110.895 11.900 -2.963 1.00 0.00 H new ATOM 0 HB2 LYS A 100 111.171 11.957 -0.105 1.00 0.00 H new ATOM 0 HB3 LYS A 100 112.584 11.131 -0.729 1.00 0.00 H new ATOM 0 HG2 LYS A 100 113.074 13.521 -0.724 1.00 0.00 H new ATOM 0 HG3 LYS A 100 112.900 13.023 -2.395 1.00 0.00 H new ATOM 0 HD2 LYS A 100 110.298 13.649 -1.886 1.00 0.00 H new ATOM 0 HD3 LYS A 100 111.054 14.707 -0.712 1.00 0.00 H new ATOM 0 HE2 LYS A 100 112.061 16.033 -2.339 1.00 0.00 H new ATOM 0 HE3 LYS A 100 112.321 14.687 -3.431 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 110.617 16.185 -4.276 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 109.938 14.667 -3.931 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 109.686 15.971 -2.873 1.00 0.00 H new ATOM 1642 N GLU A 101 110.991 9.266 -3.573 1.00 0.00 N ATOM 1643 CA GLU A 101 111.550 7.972 -4.061 1.00 0.00 C ATOM 1644 C GLU A 101 113.077 8.058 -4.119 1.00 0.00 C ATOM 1645 O GLU A 101 113.757 7.676 -3.189 1.00 0.00 O ATOM 1646 CB GLU A 101 111.001 7.679 -5.462 1.00 0.00 C ATOM 1647 CG GLU A 101 110.690 8.991 -6.186 1.00 0.00 C ATOM 1648 CD GLU A 101 109.185 9.260 -6.129 1.00 0.00 C ATOM 1649 OE1 GLU A 101 108.494 8.511 -5.461 1.00 0.00 O ATOM 1650 OE2 GLU A 101 108.750 10.214 -6.756 1.00 0.00 O ATOM 0 H GLU A 101 110.168 9.600 -4.075 1.00 0.00 H new ATOM 0 HA GLU A 101 111.261 7.172 -3.379 1.00 0.00 H new ATOM 0 HB2 GLU A 101 111.728 7.102 -6.033 1.00 0.00 H new ATOM 0 HB3 GLU A 101 110.099 7.072 -5.389 1.00 0.00 H new ATOM 0 HG2 GLU A 101 111.235 9.813 -5.722 1.00 0.00 H new ATOM 0 HG3 GLU A 101 111.021 8.934 -7.223 1.00 0.00 H new ATOM 1657 N TYR A 102 113.603 8.551 -5.216 1.00 0.00 N ATOM 1658 CA TYR A 102 115.090 8.683 -5.397 1.00 0.00 C ATOM 1659 C TYR A 102 115.825 8.710 -4.048 1.00 0.00 C ATOM 1660 O TYR A 102 116.804 8.018 -3.853 1.00 0.00 O ATOM 1661 CB TYR A 102 115.380 9.984 -6.145 1.00 0.00 C ATOM 1662 CG TYR A 102 116.842 10.042 -6.519 1.00 0.00 C ATOM 1663 CD1 TYR A 102 117.785 10.507 -5.595 1.00 0.00 C ATOM 1664 CD2 TYR A 102 117.252 9.632 -7.792 1.00 0.00 C ATOM 1665 CE1 TYR A 102 119.139 10.563 -5.946 1.00 0.00 C ATOM 1666 CE2 TYR A 102 118.605 9.688 -8.142 1.00 0.00 C ATOM 1667 CZ TYR A 102 119.549 10.153 -7.220 1.00 0.00 C ATOM 1668 OH TYR A 102 120.883 10.207 -7.567 1.00 0.00 O ATOM 0 H TYR A 102 113.054 8.875 -6.012 1.00 0.00 H new ATOM 0 HA TYR A 102 115.445 7.819 -5.960 1.00 0.00 H new ATOM 0 HB2 TYR A 102 114.763 10.045 -7.041 1.00 0.00 H new ATOM 0 HB3 TYR A 102 115.120 10.839 -5.521 1.00 0.00 H new ATOM 0 HD1 TYR A 102 117.468 10.822 -4.612 1.00 0.00 H new ATOM 0 HD2 TYR A 102 116.524 9.272 -8.504 1.00 0.00 H new ATOM 0 HE1 TYR A 102 119.867 10.922 -5.234 1.00 0.00 H new ATOM 0 HE2 TYR A 102 118.921 9.372 -9.125 1.00 0.00 H new ATOM 0 HH TYR A 102 121.435 10.079 -6.767 1.00 0.00 H new ATOM 1678 N LEU A 103 115.371 9.512 -3.122 1.00 0.00 N ATOM 1679 CA LEU A 103 116.053 9.593 -1.799 1.00 0.00 C ATOM 1680 C LEU A 103 115.810 8.316 -0.988 1.00 0.00 C ATOM 1681 O LEU A 103 116.699 7.503 -0.820 1.00 0.00 O ATOM 1682 CB LEU A 103 115.514 10.792 -1.031 1.00 0.00 C ATOM 1683 CG LEU A 103 116.671 11.737 -0.732 1.00 0.00 C ATOM 1684 CD1 LEU A 103 117.615 11.078 0.268 1.00 0.00 C ATOM 1685 CD2 LEU A 103 117.435 12.033 -2.021 1.00 0.00 C ATOM 0 H LEU A 103 114.555 10.116 -3.226 1.00 0.00 H new ATOM 0 HA LEU A 103 117.125 9.704 -1.961 1.00 0.00 H new ATOM 0 HB2 LEU A 103 114.749 11.303 -1.616 1.00 0.00 H new ATOM 0 HB3 LEU A 103 115.042 10.467 -0.104 1.00 0.00 H new ATOM 0 HG LEU A 103 116.282 12.666 -0.316 1.00 0.00 H new ATOM 0 HD11 LEU A 103 118.444 11.752 0.484 1.00 0.00 H new ATOM 0 HD12 LEU A 103 117.075 10.860 1.189 1.00 0.00 H new ATOM 0 HD13 LEU A 103 118.002 10.150 -0.154 1.00 0.00 H new ATOM 0 HD21 LEU A 103 118.263 12.709 -1.806 1.00 0.00 H new ATOM 0 HD22 LEU A 103 117.824 11.103 -2.435 1.00 0.00 H new ATOM 0 HD23 LEU A 103 116.764 12.499 -2.743 1.00 0.00 H new ATOM 1697 N MET A 104 114.620 8.151 -0.471 1.00 0.00 N ATOM 1698 CA MET A 104 114.297 6.943 0.351 1.00 0.00 C ATOM 1699 C MET A 104 115.039 5.715 -0.184 1.00 0.00 C ATOM 1700 O MET A 104 115.431 4.842 0.565 1.00 0.00 O ATOM 1701 CB MET A 104 112.790 6.687 0.297 1.00 0.00 C ATOM 1702 CG MET A 104 112.380 5.796 1.470 1.00 0.00 C ATOM 1703 SD MET A 104 110.994 6.559 2.349 1.00 0.00 S ATOM 1704 CE MET A 104 110.206 5.027 2.905 1.00 0.00 C ATOM 0 H MET A 104 113.849 8.809 -0.584 1.00 0.00 H new ATOM 0 HA MET A 104 114.611 7.121 1.380 1.00 0.00 H new ATOM 0 HB2 MET A 104 112.248 7.632 0.338 1.00 0.00 H new ATOM 0 HB3 MET A 104 112.525 6.209 -0.646 1.00 0.00 H new ATOM 0 HG2 MET A 104 112.096 4.808 1.108 1.00 0.00 H new ATOM 0 HG3 MET A 104 113.223 5.657 2.147 1.00 0.00 H new ATOM 0 HE1 MET A 104 109.172 5.004 2.562 1.00 0.00 H new ATOM 0 HE2 MET A 104 110.743 4.172 2.495 1.00 0.00 H new ATOM 0 HE3 MET A 104 110.228 4.981 3.994 1.00 0.00 H new ATOM 1714 N TYR A 105 115.239 5.637 -1.471 1.00 0.00 N ATOM 1715 CA TYR A 105 115.959 4.462 -2.038 1.00 0.00 C ATOM 1716 C TYR A 105 117.457 4.599 -1.754 1.00 0.00 C ATOM 1717 O TYR A 105 118.077 3.714 -1.198 1.00 0.00 O ATOM 1718 CB TYR A 105 115.726 4.396 -3.549 1.00 0.00 C ATOM 1719 CG TYR A 105 116.696 3.418 -4.166 1.00 0.00 C ATOM 1720 CD1 TYR A 105 116.395 2.051 -4.184 1.00 0.00 C ATOM 1721 CD2 TYR A 105 117.900 3.877 -4.717 1.00 0.00 C ATOM 1722 CE1 TYR A 105 117.297 1.145 -4.750 1.00 0.00 C ATOM 1723 CE2 TYR A 105 118.800 2.970 -5.283 1.00 0.00 C ATOM 1724 CZ TYR A 105 118.500 1.604 -5.301 1.00 0.00 C ATOM 1725 OH TYR A 105 119.389 0.709 -5.859 1.00 0.00 O ATOM 0 H TYR A 105 114.936 6.333 -2.152 1.00 0.00 H new ATOM 0 HA TYR A 105 115.584 3.548 -1.577 1.00 0.00 H new ATOM 0 HB2 TYR A 105 114.701 4.088 -3.756 1.00 0.00 H new ATOM 0 HB3 TYR A 105 115.858 5.383 -3.991 1.00 0.00 H new ATOM 0 HD1 TYR A 105 115.467 1.696 -3.761 1.00 0.00 H new ATOM 0 HD2 TYR A 105 118.132 4.932 -4.704 1.00 0.00 H new ATOM 0 HE1 TYR A 105 117.066 0.090 -4.762 1.00 0.00 H new ATOM 0 HE2 TYR A 105 119.728 3.324 -5.707 1.00 0.00 H new ATOM 0 HH TYR A 105 120.172 1.193 -6.196 1.00 0.00 H new ATOM 1735 N SER A 106 118.044 5.702 -2.130 1.00 0.00 N ATOM 1736 CA SER A 106 119.500 5.890 -1.880 1.00 0.00 C ATOM 1737 C SER A 106 119.810 5.550 -0.419 1.00 0.00 C ATOM 1738 O SER A 106 120.683 4.757 -0.128 1.00 0.00 O ATOM 1739 CB SER A 106 119.881 7.345 -2.158 1.00 0.00 C ATOM 1740 OG SER A 106 121.291 7.436 -2.323 1.00 0.00 O ATOM 0 H SER A 106 117.579 6.480 -2.599 1.00 0.00 H new ATOM 0 HA SER A 106 120.072 5.235 -2.537 1.00 0.00 H new ATOM 0 HB2 SER A 106 119.374 7.701 -3.055 1.00 0.00 H new ATOM 0 HB3 SER A 106 119.557 7.982 -1.335 1.00 0.00 H new ATOM 0 HG SER A 106 121.540 8.367 -2.503 1.00 0.00 H new ATOM 1746 N ALA A 107 119.098 6.142 0.500 1.00 0.00 N ATOM 1747 CA ALA A 107 119.348 5.851 1.938 1.00 0.00 C ATOM 1748 C ALA A 107 118.998 4.391 2.230 1.00 0.00 C ATOM 1749 O ALA A 107 119.546 3.777 3.124 1.00 0.00 O ATOM 1750 CB ALA A 107 118.477 6.766 2.803 1.00 0.00 C ATOM 0 H ALA A 107 118.354 6.815 0.316 1.00 0.00 H new ATOM 0 HA ALA A 107 120.399 6.027 2.167 1.00 0.00 H new ATOM 0 HB1 ALA A 107 118.660 6.553 3.856 1.00 0.00 H new ATOM 0 HB2 ALA A 107 118.724 7.807 2.595 1.00 0.00 H new ATOM 0 HB3 ALA A 107 117.426 6.590 2.574 1.00 0.00 H new ATOM 1756 N LEU A 108 118.089 3.829 1.481 1.00 0.00 N ATOM 1757 CA LEU A 108 117.705 2.408 1.712 1.00 0.00 C ATOM 1758 C LEU A 108 118.878 1.496 1.347 1.00 0.00 C ATOM 1759 O LEU A 108 119.037 0.423 1.896 1.00 0.00 O ATOM 1760 CB LEU A 108 116.495 2.059 0.842 1.00 0.00 C ATOM 1761 CG LEU A 108 115.214 2.223 1.660 1.00 0.00 C ATOM 1762 CD1 LEU A 108 114.012 1.788 0.820 1.00 0.00 C ATOM 1763 CD2 LEU A 108 115.298 1.355 2.917 1.00 0.00 C ATOM 0 H LEU A 108 117.595 4.293 0.719 1.00 0.00 H new ATOM 0 HA LEU A 108 117.450 2.267 2.762 1.00 0.00 H new ATOM 0 HB2 LEU A 108 116.465 2.707 -0.034 1.00 0.00 H new ATOM 0 HB3 LEU A 108 116.578 1.035 0.479 1.00 0.00 H new ATOM 0 HG LEU A 108 115.097 3.268 1.946 1.00 0.00 H new ATOM 0 HD11 LEU A 108 113.099 1.905 1.404 1.00 0.00 H new ATOM 0 HD12 LEU A 108 113.952 2.406 -0.076 1.00 0.00 H new ATOM 0 HD13 LEU A 108 114.128 0.743 0.533 1.00 0.00 H new ATOM 0 HD21 LEU A 108 114.385 1.471 3.501 1.00 0.00 H new ATOM 0 HD22 LEU A 108 115.415 0.310 2.630 1.00 0.00 H new ATOM 0 HD23 LEU A 108 116.154 1.665 3.516 1.00 0.00 H new ATOM 1775 N THR A 109 119.701 1.913 0.425 1.00 0.00 N ATOM 1776 CA THR A 109 120.863 1.071 0.025 1.00 0.00 C ATOM 1777 C THR A 109 122.055 1.382 0.932 1.00 0.00 C ATOM 1778 O THR A 109 122.962 0.587 1.076 1.00 0.00 O ATOM 1779 CB THR A 109 121.236 1.373 -1.429 1.00 0.00 C ATOM 1780 OG1 THR A 109 121.879 2.637 -1.499 1.00 0.00 O ATOM 1781 CG2 THR A 109 119.970 1.395 -2.288 1.00 0.00 C ATOM 0 H THR A 109 119.619 2.802 -0.069 1.00 0.00 H new ATOM 0 HA THR A 109 120.598 0.018 0.121 1.00 0.00 H new ATOM 0 HB THR A 109 121.911 0.601 -1.799 1.00 0.00 H new ATOM 0 HG1 THR A 109 121.375 3.290 -0.970 1.00 0.00 H new ATOM 0 HG21 THR A 109 120.236 1.610 -3.323 1.00 0.00 H new ATOM 0 HG22 THR A 109 119.477 0.424 -2.234 1.00 0.00 H new ATOM 0 HG23 THR A 109 119.294 2.166 -1.920 1.00 0.00 H new ATOM 1789 N ARG A 110 122.061 2.534 1.545 1.00 0.00 N ATOM 1790 CA ARG A 110 123.194 2.895 2.442 1.00 0.00 C ATOM 1791 C ARG A 110 122.943 2.322 3.837 1.00 0.00 C ATOM 1792 O ARG A 110 121.819 2.240 4.292 1.00 0.00 O ATOM 1793 CB ARG A 110 123.312 4.418 2.530 1.00 0.00 C ATOM 1794 CG ARG A 110 124.787 4.814 2.613 1.00 0.00 C ATOM 1795 CD ARG A 110 125.252 5.338 1.252 1.00 0.00 C ATOM 1796 NE ARG A 110 126.670 5.788 1.352 1.00 0.00 N ATOM 1797 CZ ARG A 110 127.327 6.116 0.273 1.00 0.00 C ATOM 1798 NH1 ARG A 110 127.361 5.300 -0.744 1.00 0.00 N ATOM 1799 NH2 ARG A 110 127.950 7.261 0.212 1.00 0.00 N ATOM 0 H ARG A 110 121.330 3.241 1.463 1.00 0.00 H new ATOM 0 HA ARG A 110 124.119 2.482 2.041 1.00 0.00 H new ATOM 0 HB2 ARG A 110 122.850 4.880 1.658 1.00 0.00 H new ATOM 0 HB3 ARG A 110 122.777 4.784 3.406 1.00 0.00 H new ATOM 0 HG2 ARG A 110 124.927 5.579 3.376 1.00 0.00 H new ATOM 0 HG3 ARG A 110 125.389 3.955 2.909 1.00 0.00 H new ATOM 0 HD2 ARG A 110 125.159 4.556 0.498 1.00 0.00 H new ATOM 0 HD3 ARG A 110 124.618 6.165 0.933 1.00 0.00 H new ATOM 0 HE ARG A 110 127.126 5.839 2.263 1.00 0.00 H new ATOM 0 HH11 ARG A 110 126.874 4.405 -0.696 1.00 0.00 H new ATOM 0 HH12 ARG A 110 127.875 5.557 -1.587 1.00 0.00 H new ATOM 0 HH21 ARG A 110 127.923 7.899 1.007 1.00 0.00 H new ATOM 0 HH22 ARG A 110 128.464 7.518 -0.631 1.00 0.00 H new ATOM 1813 N ASP A 111 123.980 1.923 4.522 1.00 0.00 N ATOM 1814 CA ASP A 111 123.798 1.356 5.887 1.00 0.00 C ATOM 1815 C ASP A 111 123.022 2.350 6.757 1.00 0.00 C ATOM 1816 O ASP A 111 123.087 3.544 6.537 1.00 0.00 O ATOM 1817 CB ASP A 111 125.168 1.092 6.515 1.00 0.00 C ATOM 1818 CG ASP A 111 125.884 2.423 6.750 1.00 0.00 C ATOM 1819 OD1 ASP A 111 125.346 3.244 7.474 1.00 0.00 O ATOM 1820 OD2 ASP A 111 126.960 2.599 6.201 1.00 0.00 O ATOM 0 H ASP A 111 124.945 1.965 4.195 1.00 0.00 H new ATOM 0 HA ASP A 111 123.241 0.422 5.820 1.00 0.00 H new ATOM 0 HB2 ASP A 111 125.051 0.558 7.458 1.00 0.00 H new ATOM 0 HB3 ASP A 111 125.764 0.456 5.860 1.00 0.00 H new ATOM 1825 N PRO A 112 122.312 1.825 7.721 1.00 0.00 N ATOM 1826 CA PRO A 112 122.242 0.373 7.976 1.00 0.00 C ATOM 1827 C PRO A 112 121.284 -0.299 6.988 1.00 0.00 C ATOM 1828 O PRO A 112 121.072 -1.495 7.030 1.00 0.00 O ATOM 1829 CB PRO A 112 121.701 0.287 9.405 1.00 0.00 C ATOM 1830 CG PRO A 112 120.965 1.622 9.674 1.00 0.00 C ATOM 1831 CD PRO A 112 121.511 2.641 8.655 1.00 0.00 C ATOM 0 HA PRO A 112 123.201 -0.130 7.857 1.00 0.00 H new ATOM 0 HB2 PRO A 112 121.023 -0.559 9.513 1.00 0.00 H new ATOM 0 HB3 PRO A 112 122.511 0.139 10.119 1.00 0.00 H new ATOM 0 HG2 PRO A 112 119.888 1.500 9.560 1.00 0.00 H new ATOM 0 HG3 PRO A 112 121.141 1.962 10.694 1.00 0.00 H new ATOM 0 HD2 PRO A 112 120.703 3.160 8.139 1.00 0.00 H new ATOM 0 HD3 PRO A 112 122.120 3.403 9.141 1.00 0.00 H new ATOM 1839 N PHE A 113 120.697 0.461 6.103 1.00 0.00 N ATOM 1840 CA PHE A 113 119.749 -0.135 5.120 1.00 0.00 C ATOM 1841 C PHE A 113 120.531 -0.795 3.983 1.00 0.00 C ATOM 1842 O PHE A 113 120.980 -0.144 3.061 1.00 0.00 O ATOM 1843 CB PHE A 113 118.852 0.966 4.548 1.00 0.00 C ATOM 1844 CG PHE A 113 118.060 1.606 5.664 1.00 0.00 C ATOM 1845 CD1 PHE A 113 117.743 0.869 6.810 1.00 0.00 C ATOM 1846 CD2 PHE A 113 117.639 2.936 5.551 1.00 0.00 C ATOM 1847 CE1 PHE A 113 117.006 1.457 7.841 1.00 0.00 C ATOM 1848 CE2 PHE A 113 116.903 3.526 6.583 1.00 0.00 C ATOM 1849 CZ PHE A 113 116.585 2.787 7.729 1.00 0.00 C ATOM 0 H PHE A 113 120.833 1.468 6.019 1.00 0.00 H new ATOM 0 HA PHE A 113 119.136 -0.886 5.619 1.00 0.00 H new ATOM 0 HB2 PHE A 113 119.459 1.717 4.042 1.00 0.00 H new ATOM 0 HB3 PHE A 113 118.176 0.547 3.802 1.00 0.00 H new ATOM 0 HD1 PHE A 113 118.069 -0.157 6.898 1.00 0.00 H new ATOM 0 HD2 PHE A 113 117.883 3.506 4.667 1.00 0.00 H new ATOM 0 HE1 PHE A 113 116.761 0.885 8.724 1.00 0.00 H new ATOM 0 HE2 PHE A 113 116.579 4.553 6.496 1.00 0.00 H new ATOM 0 HZ PHE A 113 116.016 3.243 8.525 1.00 0.00 H new ATOM 1859 N SER A 114 120.691 -2.090 4.040 1.00 0.00 N ATOM 1860 CA SER A 114 121.435 -2.798 2.961 1.00 0.00 C ATOM 1861 C SER A 114 120.453 -3.226 1.868 1.00 0.00 C ATOM 1862 O SER A 114 119.253 -3.194 2.054 1.00 0.00 O ATOM 1863 CB SER A 114 122.125 -4.034 3.540 1.00 0.00 C ATOM 1864 OG SER A 114 122.729 -3.696 4.782 1.00 0.00 O ATOM 0 H SER A 114 120.338 -2.687 4.788 1.00 0.00 H new ATOM 0 HA SER A 114 122.186 -2.131 2.538 1.00 0.00 H new ATOM 0 HB2 SER A 114 121.401 -4.836 3.681 1.00 0.00 H new ATOM 0 HB3 SER A 114 122.879 -4.403 2.844 1.00 0.00 H new ATOM 0 HG SER A 114 123.171 -4.486 5.157 1.00 0.00 H new ATOM 1870 N VAL A 115 120.949 -3.629 0.731 1.00 0.00 N ATOM 1871 CA VAL A 115 120.037 -4.060 -0.365 1.00 0.00 C ATOM 1872 C VAL A 115 120.010 -5.588 -0.432 1.00 0.00 C ATOM 1873 O VAL A 115 120.997 -6.247 -0.169 1.00 0.00 O ATOM 1874 CB VAL A 115 120.542 -3.499 -1.694 1.00 0.00 C ATOM 1875 CG1 VAL A 115 119.425 -3.574 -2.737 1.00 0.00 C ATOM 1876 CG2 VAL A 115 120.965 -2.040 -1.505 1.00 0.00 C ATOM 0 H VAL A 115 121.944 -3.678 0.514 1.00 0.00 H new ATOM 0 HA VAL A 115 119.031 -3.688 -0.172 1.00 0.00 H new ATOM 0 HB VAL A 115 121.397 -4.084 -2.033 1.00 0.00 H new ATOM 0 HG11 VAL A 115 119.785 -3.174 -3.685 1.00 0.00 H new ATOM 0 HG12 VAL A 115 119.123 -4.613 -2.873 1.00 0.00 H new ATOM 0 HG13 VAL A 115 118.570 -2.989 -2.397 1.00 0.00 H new ATOM 0 HG21 VAL A 115 121.325 -1.640 -2.453 1.00 0.00 H new ATOM 0 HG22 VAL A 115 120.111 -1.455 -1.165 1.00 0.00 H new ATOM 0 HG23 VAL A 115 121.761 -1.985 -0.762 1.00 0.00 H new ATOM 1886 N ILE A 116 118.888 -6.158 -0.781 1.00 0.00 N ATOM 1887 CA ILE A 116 118.806 -7.645 -0.861 1.00 0.00 C ATOM 1888 C ILE A 116 118.340 -8.059 -2.258 1.00 0.00 C ATOM 1889 O ILE A 116 119.076 -8.661 -3.014 1.00 0.00 O ATOM 1890 CB ILE A 116 117.811 -8.160 0.181 1.00 0.00 C ATOM 1891 CG1 ILE A 116 118.200 -7.632 1.563 1.00 0.00 C ATOM 1892 CG2 ILE A 116 117.834 -9.689 0.196 1.00 0.00 C ATOM 1893 CD1 ILE A 116 116.947 -7.501 2.431 1.00 0.00 C ATOM 0 H ILE A 116 118.028 -5.661 -1.013 1.00 0.00 H new ATOM 0 HA ILE A 116 119.790 -8.071 -0.666 1.00 0.00 H new ATOM 0 HB ILE A 116 116.809 -7.813 -0.072 1.00 0.00 H new ATOM 0 HG12 ILE A 116 118.913 -8.308 2.035 1.00 0.00 H new ATOM 0 HG13 ILE A 116 118.693 -6.664 1.469 1.00 0.00 H new ATOM 0 HG21 ILE A 116 117.125 -10.056 0.938 1.00 0.00 H new ATOM 0 HG22 ILE A 116 117.557 -10.067 -0.788 1.00 0.00 H new ATOM 0 HG23 ILE A 116 118.836 -10.035 0.449 1.00 0.00 H new ATOM 0 HD11 ILE A 116 117.224 -7.125 3.416 1.00 0.00 H new ATOM 0 HD12 ILE A 116 116.250 -6.808 1.961 1.00 0.00 H new ATOM 0 HD13 ILE A 116 116.473 -8.477 2.536 1.00 0.00 H new ATOM 1905 N GLU A 117 117.123 -7.744 -2.610 1.00 0.00 N ATOM 1906 CA GLU A 117 116.618 -8.129 -3.959 1.00 0.00 C ATOM 1907 C GLU A 117 116.097 -6.887 -4.689 1.00 0.00 C ATOM 1908 O GLU A 117 115.887 -5.849 -4.096 1.00 0.00 O ATOM 1909 CB GLU A 117 115.481 -9.142 -3.809 1.00 0.00 C ATOM 1910 CG GLU A 117 115.964 -10.334 -2.978 1.00 0.00 C ATOM 1911 CD GLU A 117 115.991 -11.588 -3.853 1.00 0.00 C ATOM 1912 OE1 GLU A 117 116.719 -11.587 -4.833 1.00 0.00 O ATOM 1913 OE2 GLU A 117 115.285 -12.528 -3.531 1.00 0.00 O ATOM 0 H GLU A 117 116.459 -7.238 -2.024 1.00 0.00 H new ATOM 0 HA GLU A 117 117.431 -8.573 -4.534 1.00 0.00 H new ATOM 0 HB2 GLU A 117 114.623 -8.673 -3.327 1.00 0.00 H new ATOM 0 HB3 GLU A 117 115.149 -9.480 -4.791 1.00 0.00 H new ATOM 0 HG2 GLU A 117 116.959 -10.134 -2.580 1.00 0.00 H new ATOM 0 HG3 GLU A 117 115.304 -10.487 -2.124 1.00 0.00 H new ATOM 1920 N GLU A 118 115.883 -6.989 -5.973 1.00 0.00 N ATOM 1921 CA GLU A 118 115.370 -5.818 -6.738 1.00 0.00 C ATOM 1922 C GLU A 118 115.044 -6.244 -8.172 1.00 0.00 C ATOM 1923 O GLU A 118 115.347 -7.346 -8.586 1.00 0.00 O ATOM 1924 CB GLU A 118 116.426 -4.709 -6.768 1.00 0.00 C ATOM 1925 CG GLU A 118 117.825 -5.324 -6.706 1.00 0.00 C ATOM 1926 CD GLU A 118 117.971 -6.374 -7.809 1.00 0.00 C ATOM 1927 OE1 GLU A 118 117.725 -6.037 -8.956 1.00 0.00 O ATOM 1928 OE2 GLU A 118 118.325 -7.497 -7.489 1.00 0.00 O ATOM 0 H GLU A 118 116.041 -7.832 -6.524 1.00 0.00 H new ATOM 0 HA GLU A 118 114.469 -5.445 -6.252 1.00 0.00 H new ATOM 0 HB2 GLU A 118 116.319 -4.117 -7.677 1.00 0.00 H new ATOM 0 HB3 GLU A 118 116.279 -4.031 -5.927 1.00 0.00 H new ATOM 0 HG2 GLU A 118 118.581 -4.548 -6.826 1.00 0.00 H new ATOM 0 HG3 GLU A 118 117.990 -5.781 -5.730 1.00 0.00 H new ATOM 1935 N SER A 119 114.425 -5.381 -8.929 1.00 0.00 N ATOM 1936 CA SER A 119 114.076 -5.736 -10.333 1.00 0.00 C ATOM 1937 C SER A 119 114.891 -4.876 -11.304 1.00 0.00 C ATOM 1938 O SER A 119 115.116 -5.249 -12.438 1.00 0.00 O ATOM 1939 CB SER A 119 112.585 -5.486 -10.564 1.00 0.00 C ATOM 1940 OG SER A 119 112.113 -6.363 -11.579 1.00 0.00 O ATOM 0 H SER A 119 114.146 -4.445 -8.636 1.00 0.00 H new ATOM 0 HA SER A 119 114.304 -6.788 -10.505 1.00 0.00 H new ATOM 0 HB2 SER A 119 112.030 -5.648 -9.640 1.00 0.00 H new ATOM 0 HB3 SER A 119 112.420 -4.449 -10.857 1.00 0.00 H new ATOM 0 HG SER A 119 111.157 -6.206 -11.728 1.00 0.00 H new ATOM 1946 N LEU A 120 115.334 -3.727 -10.869 1.00 0.00 N ATOM 1947 CA LEU A 120 116.132 -2.848 -11.772 1.00 0.00 C ATOM 1948 C LEU A 120 117.581 -3.345 -11.815 1.00 0.00 C ATOM 1949 O LEU A 120 118.007 -4.083 -10.948 1.00 0.00 O ATOM 1950 CB LEU A 120 116.101 -1.410 -11.247 1.00 0.00 C ATOM 1951 CG LEU A 120 114.804 -0.729 -11.693 1.00 0.00 C ATOM 1952 CD1 LEU A 120 114.812 0.735 -11.242 1.00 0.00 C ATOM 1953 CD2 LEU A 120 114.692 -0.793 -13.217 1.00 0.00 C ATOM 0 H LEU A 120 115.178 -3.360 -9.930 1.00 0.00 H new ATOM 0 HA LEU A 120 115.707 -2.876 -12.775 1.00 0.00 H new ATOM 0 HB2 LEU A 120 116.170 -1.408 -10.159 1.00 0.00 H new ATOM 0 HB3 LEU A 120 116.962 -0.856 -11.622 1.00 0.00 H new ATOM 0 HG LEU A 120 113.953 -1.241 -11.244 1.00 0.00 H new ATOM 0 HD11 LEU A 120 113.888 1.219 -11.560 1.00 0.00 H new ATOM 0 HD12 LEU A 120 114.890 0.781 -10.156 1.00 0.00 H new ATOM 0 HD13 LEU A 120 115.663 1.249 -11.689 1.00 0.00 H new ATOM 0 HD21 LEU A 120 113.769 -0.308 -13.535 1.00 0.00 H new ATOM 0 HD22 LEU A 120 115.543 -0.282 -13.666 1.00 0.00 H new ATOM 0 HD23 LEU A 120 114.684 -1.835 -13.538 1.00 0.00 H new ATOM 1965 N PRO A 121 118.296 -2.923 -12.827 1.00 0.00 N ATOM 1966 CA PRO A 121 119.704 -3.307 -13.019 1.00 0.00 C ATOM 1967 C PRO A 121 120.610 -2.491 -12.094 1.00 0.00 C ATOM 1968 O PRO A 121 121.613 -2.973 -11.605 1.00 0.00 O ATOM 1969 CB PRO A 121 119.972 -2.965 -14.487 1.00 0.00 C ATOM 1970 CG PRO A 121 118.918 -1.906 -14.889 1.00 0.00 C ATOM 1971 CD PRO A 121 117.765 -2.024 -13.873 1.00 0.00 C ATOM 0 HA PRO A 121 119.899 -4.354 -12.788 1.00 0.00 H new ATOM 0 HB2 PRO A 121 120.982 -2.576 -14.617 1.00 0.00 H new ATOM 0 HB3 PRO A 121 119.889 -3.853 -15.114 1.00 0.00 H new ATOM 0 HG2 PRO A 121 119.349 -0.905 -14.872 1.00 0.00 H new ATOM 0 HG3 PRO A 121 118.560 -2.081 -15.903 1.00 0.00 H new ATOM 0 HD2 PRO A 121 117.494 -1.051 -13.463 1.00 0.00 H new ATOM 0 HD3 PRO A 121 116.868 -2.436 -14.335 1.00 0.00 H new ATOM 1979 N GLY A 122 120.262 -1.260 -11.849 1.00 0.00 N ATOM 1980 CA GLY A 122 121.099 -0.411 -10.955 1.00 0.00 C ATOM 1981 C GLY A 122 120.246 0.120 -9.802 1.00 0.00 C ATOM 1982 O GLY A 122 120.755 0.650 -8.833 1.00 0.00 O ATOM 0 H GLY A 122 119.433 -0.803 -12.229 1.00 0.00 H new ATOM 0 HA2 GLY A 122 121.935 -0.991 -10.564 1.00 0.00 H new ATOM 0 HA3 GLY A 122 121.523 0.420 -11.519 1.00 0.00 H new ATOM 1986 N GLY A 123 118.952 -0.015 -9.896 1.00 0.00 N ATOM 1987 CA GLY A 123 118.067 0.484 -8.807 1.00 0.00 C ATOM 1988 C GLY A 123 117.444 1.816 -9.229 1.00 0.00 C ATOM 1989 O GLY A 123 117.268 2.084 -10.400 1.00 0.00 O ATOM 0 H GLY A 123 118.469 -0.450 -10.682 1.00 0.00 H new ATOM 0 HA2 GLY A 123 117.285 -0.245 -8.596 1.00 0.00 H new ATOM 0 HA3 GLY A 123 118.639 0.612 -7.888 1.00 0.00 H new ATOM 1993 N LEU A 124 117.110 2.651 -8.285 1.00 0.00 N ATOM 1994 CA LEU A 124 116.498 3.964 -8.636 1.00 0.00 C ATOM 1995 C LEU A 124 117.499 4.816 -9.416 1.00 0.00 C ATOM 1996 O LEU A 124 118.613 5.030 -8.982 1.00 0.00 O ATOM 1997 CB LEU A 124 116.093 4.695 -7.361 1.00 0.00 C ATOM 1998 CG LEU A 124 114.575 4.834 -7.334 1.00 0.00 C ATOM 1999 CD1 LEU A 124 113.933 3.454 -7.460 1.00 0.00 C ATOM 2000 CD2 LEU A 124 114.134 5.467 -6.022 1.00 0.00 C ATOM 0 H LEU A 124 117.234 2.482 -7.287 1.00 0.00 H new ATOM 0 HA LEU A 124 115.617 3.792 -9.254 1.00 0.00 H new ATOM 0 HB2 LEU A 124 116.437 4.145 -6.485 1.00 0.00 H new ATOM 0 HB3 LEU A 124 116.563 5.678 -7.324 1.00 0.00 H new ATOM 0 HG LEU A 124 114.263 5.466 -8.166 1.00 0.00 H new ATOM 0 HD11 LEU A 124 112.848 3.554 -7.441 1.00 0.00 H new ATOM 0 HD12 LEU A 124 114.238 2.995 -8.400 1.00 0.00 H new ATOM 0 HD13 LEU A 124 114.254 2.826 -6.629 1.00 0.00 H new ATOM 0 HD21 LEU A 124 113.048 5.563 -6.011 1.00 0.00 H new ATOM 0 HD22 LEU A 124 114.451 4.838 -5.190 1.00 0.00 H new ATOM 0 HD23 LEU A 124 114.586 6.454 -5.924 1.00 0.00 H new ATOM 2012 N LYS A 125 117.109 5.305 -10.564 1.00 0.00 N ATOM 2013 CA LYS A 125 118.036 6.150 -11.374 1.00 0.00 C ATOM 2014 C LYS A 125 117.342 6.599 -12.664 1.00 0.00 C ATOM 2015 O LYS A 125 116.147 6.806 -12.692 1.00 0.00 O ATOM 2016 CB LYS A 125 119.294 5.345 -11.708 1.00 0.00 C ATOM 2017 CG LYS A 125 120.528 6.217 -11.469 1.00 0.00 C ATOM 2018 CD LYS A 125 120.877 6.207 -9.977 1.00 0.00 C ATOM 2019 CE LYS A 125 120.101 7.315 -9.259 1.00 0.00 C ATOM 2020 NZ LYS A 125 120.666 7.508 -7.893 1.00 0.00 N ATOM 0 H LYS A 125 116.188 5.156 -10.976 1.00 0.00 H new ATOM 0 HA LYS A 125 118.315 7.034 -10.801 1.00 0.00 H new ATOM 0 HB2 LYS A 125 119.342 4.449 -11.089 1.00 0.00 H new ATOM 0 HB3 LYS A 125 119.263 5.014 -12.746 1.00 0.00 H new ATOM 0 HG2 LYS A 125 121.369 5.844 -12.053 1.00 0.00 H new ATOM 0 HG3 LYS A 125 120.336 7.237 -11.802 1.00 0.00 H new ATOM 0 HD2 LYS A 125 120.632 5.238 -9.543 1.00 0.00 H new ATOM 0 HD3 LYS A 125 121.949 6.355 -9.843 1.00 0.00 H new ATOM 0 HE2 LYS A 125 120.164 8.244 -9.825 1.00 0.00 H new ATOM 0 HE3 LYS A 125 119.045 7.052 -9.194 1.00 0.00 H new ATOM 0 HZ1 LYS A 125 120.618 8.515 -7.637 1.00 0.00 H new ATOM 0 HZ2 LYS A 125 120.117 6.950 -7.208 1.00 0.00 H new ATOM 0 HZ3 LYS A 125 121.657 7.194 -7.880 1.00 0.00 H new ATOM 2034 N GLU A 126 118.087 6.763 -13.728 1.00 0.00 N ATOM 2035 CA GLU A 126 117.480 7.213 -15.018 1.00 0.00 C ATOM 2036 C GLU A 126 116.102 6.572 -15.209 1.00 0.00 C ATOM 2037 O GLU A 126 115.235 7.129 -15.853 1.00 0.00 O ATOM 2038 CB GLU A 126 118.395 6.803 -16.176 1.00 0.00 C ATOM 2039 CG GLU A 126 119.308 7.974 -16.545 1.00 0.00 C ATOM 2040 CD GLU A 126 119.751 7.835 -18.002 1.00 0.00 C ATOM 2041 OE1 GLU A 126 120.769 7.206 -18.233 1.00 0.00 O ATOM 2042 OE2 GLU A 126 119.064 8.361 -18.862 1.00 0.00 O ATOM 0 H GLU A 126 119.094 6.604 -13.759 1.00 0.00 H new ATOM 0 HA GLU A 126 117.366 8.297 -14.998 1.00 0.00 H new ATOM 0 HB2 GLU A 126 118.993 5.937 -15.892 1.00 0.00 H new ATOM 0 HB3 GLU A 126 117.798 6.508 -17.039 1.00 0.00 H new ATOM 0 HG2 GLU A 126 118.782 8.918 -16.402 1.00 0.00 H new ATOM 0 HG3 GLU A 126 120.178 7.991 -15.889 1.00 0.00 H new ATOM 2049 N HIS A 127 115.892 5.407 -14.657 1.00 0.00 N ATOM 2050 CA HIS A 127 114.570 4.736 -14.810 1.00 0.00 C ATOM 2051 C HIS A 127 113.442 5.758 -14.637 1.00 0.00 C ATOM 2052 O HIS A 127 112.786 6.131 -15.588 1.00 0.00 O ATOM 2053 CB HIS A 127 114.425 3.636 -13.757 1.00 0.00 C ATOM 2054 CG HIS A 127 115.697 2.837 -13.682 1.00 0.00 C ATOM 2055 ND1 HIS A 127 116.753 3.205 -12.864 1.00 0.00 N ATOM 2056 CD2 HIS A 127 116.095 1.684 -14.312 1.00 0.00 C ATOM 2057 CE1 HIS A 127 117.726 2.289 -13.021 1.00 0.00 C ATOM 2058 NE2 HIS A 127 117.377 1.340 -13.893 1.00 0.00 N ATOM 0 H HIS A 127 116.579 4.892 -14.107 1.00 0.00 H new ATOM 0 HA HIS A 127 114.508 4.297 -15.806 1.00 0.00 H new ATOM 0 HB2 HIS A 127 114.203 4.076 -12.785 1.00 0.00 H new ATOM 0 HB3 HIS A 127 113.589 2.984 -14.010 1.00 0.00 H new ATOM 0 HD2 HIS A 127 115.503 1.128 -15.024 1.00 0.00 H new ATOM 0 HE1 HIS A 127 118.674 2.318 -12.504 1.00 0.00 H new ATOM 0 HE2 HIS A 127 117.931 0.536 -14.189 1.00 0.00 H new ATOM 2066 N ASP A 128 113.198 6.211 -13.432 1.00 0.00 N ATOM 2067 CA ASP A 128 112.097 7.200 -13.231 1.00 0.00 C ATOM 2068 C ASP A 128 112.270 7.955 -11.908 1.00 0.00 C ATOM 2069 O ASP A 128 111.490 7.795 -10.991 1.00 0.00 O ATOM 2070 CB ASP A 128 110.759 6.461 -13.208 1.00 0.00 C ATOM 2071 CG ASP A 128 109.629 7.441 -13.525 1.00 0.00 C ATOM 2072 OD1 ASP A 128 109.398 8.328 -12.720 1.00 0.00 O ATOM 2073 OD2 ASP A 128 109.014 7.289 -14.568 1.00 0.00 O ATOM 0 H ASP A 128 113.707 5.943 -12.590 1.00 0.00 H new ATOM 0 HA ASP A 128 112.125 7.919 -14.050 1.00 0.00 H new ATOM 0 HB2 ASP A 128 110.767 5.650 -13.937 1.00 0.00 H new ATOM 0 HB3 ASP A 128 110.598 6.008 -12.230 1.00 0.00 H new ATOM 2078 N PHE A 129 113.264 8.796 -11.805 1.00 0.00 N ATOM 2079 CA PHE A 129 113.455 9.573 -10.543 1.00 0.00 C ATOM 2080 C PHE A 129 114.291 10.818 -10.838 1.00 0.00 C ATOM 2081 O PHE A 129 113.851 11.935 -10.645 1.00 0.00 O ATOM 2082 CB PHE A 129 114.175 8.719 -9.496 1.00 0.00 C ATOM 2083 CG PHE A 129 113.651 7.305 -9.539 1.00 0.00 C ATOM 2084 CD1 PHE A 129 112.513 6.947 -8.806 1.00 0.00 C ATOM 2085 CD2 PHE A 129 114.308 6.352 -10.319 1.00 0.00 C ATOM 2086 CE1 PHE A 129 112.036 5.636 -8.854 1.00 0.00 C ATOM 2087 CE2 PHE A 129 113.829 5.039 -10.372 1.00 0.00 C ATOM 2088 CZ PHE A 129 112.692 4.679 -9.638 1.00 0.00 C ATOM 0 H PHE A 129 113.951 8.979 -12.537 1.00 0.00 H new ATOM 0 HA PHE A 129 112.478 9.862 -10.155 1.00 0.00 H new ATOM 0 HB2 PHE A 129 115.248 8.724 -9.685 1.00 0.00 H new ATOM 0 HB3 PHE A 129 114.024 9.142 -8.503 1.00 0.00 H new ATOM 0 HD1 PHE A 129 112.004 7.685 -8.204 1.00 0.00 H new ATOM 0 HD2 PHE A 129 115.187 6.629 -10.882 1.00 0.00 H new ATOM 0 HE1 PHE A 129 111.160 5.360 -8.286 1.00 0.00 H new ATOM 0 HE2 PHE A 129 114.336 4.303 -10.979 1.00 0.00 H new ATOM 0 HZ PHE A 129 112.322 3.665 -9.677 1.00 0.00 H new ATOM 2098 N ASN A 130 115.492 10.634 -11.303 1.00 0.00 N ATOM 2099 CA ASN A 130 116.364 11.803 -11.612 1.00 0.00 C ATOM 2100 C ASN A 130 116.560 11.911 -13.130 1.00 0.00 C ATOM 2101 O ASN A 130 117.386 11.220 -13.693 1.00 0.00 O ATOM 2102 CB ASN A 130 117.723 11.618 -10.935 1.00 0.00 C ATOM 2103 CG ASN A 130 118.170 12.944 -10.318 1.00 0.00 C ATOM 2104 OD1 ASN A 130 118.489 13.007 -9.148 1.00 0.00 O ATOM 2105 ND2 ASN A 130 118.205 14.016 -11.062 1.00 0.00 N ATOM 0 H ASN A 130 115.911 9.722 -11.484 1.00 0.00 H new ATOM 0 HA ASN A 130 115.893 12.714 -11.242 1.00 0.00 H new ATOM 0 HB2 ASN A 130 117.656 10.850 -10.164 1.00 0.00 H new ATOM 0 HB3 ASN A 130 118.460 11.276 -11.662 1.00 0.00 H new ATOM 0 HD21 ASN A 130 118.500 14.906 -10.661 1.00 0.00 H new ATOM 0 HD22 ASN A 130 117.937 13.964 -12.045 1.00 0.00 H new ATOM 2112 N PRO A 131 115.792 12.775 -13.746 1.00 0.00 N ATOM 2113 CA PRO A 131 115.855 12.998 -15.202 1.00 0.00 C ATOM 2114 C PRO A 131 117.064 13.866 -15.563 1.00 0.00 C ATOM 2115 O PRO A 131 117.904 14.156 -14.733 1.00 0.00 O ATOM 2116 CB PRO A 131 114.545 13.729 -15.510 1.00 0.00 C ATOM 2117 CG PRO A 131 114.085 14.378 -14.184 1.00 0.00 C ATOM 2118 CD PRO A 131 114.791 13.611 -13.050 1.00 0.00 C ATOM 0 HA PRO A 131 115.967 12.075 -15.771 1.00 0.00 H new ATOM 0 HB2 PRO A 131 114.694 14.485 -16.281 1.00 0.00 H new ATOM 0 HB3 PRO A 131 113.792 13.036 -15.885 1.00 0.00 H new ATOM 0 HG2 PRO A 131 114.348 15.435 -14.159 1.00 0.00 H new ATOM 0 HG3 PRO A 131 113.002 14.316 -14.078 1.00 0.00 H new ATOM 0 HD2 PRO A 131 115.264 14.292 -12.343 1.00 0.00 H new ATOM 0 HD3 PRO A 131 114.087 13.001 -12.483 1.00 0.00 H new ATOM 2126 N GLU A 132 117.158 14.284 -16.797 1.00 0.00 N ATOM 2127 CA GLU A 132 118.312 15.132 -17.214 1.00 0.00 C ATOM 2128 C GLU A 132 117.942 16.610 -17.072 1.00 0.00 C ATOM 2129 O GLU A 132 118.068 17.382 -18.001 1.00 0.00 O ATOM 2130 CB GLU A 132 118.662 14.833 -18.674 1.00 0.00 C ATOM 2131 CG GLU A 132 120.161 14.545 -18.791 1.00 0.00 C ATOM 2132 CD GLU A 132 120.419 13.064 -18.506 1.00 0.00 C ATOM 2133 OE1 GLU A 132 119.751 12.523 -17.640 1.00 0.00 O ATOM 2134 OE2 GLU A 132 121.281 12.497 -19.157 1.00 0.00 O ATOM 0 H GLU A 132 116.485 14.075 -17.534 1.00 0.00 H new ATOM 0 HA GLU A 132 119.171 14.912 -16.580 1.00 0.00 H new ATOM 0 HB2 GLU A 132 118.088 13.977 -19.029 1.00 0.00 H new ATOM 0 HB3 GLU A 132 118.393 15.681 -19.304 1.00 0.00 H new ATOM 0 HG2 GLU A 132 120.515 14.801 -19.790 1.00 0.00 H new ATOM 0 HG3 GLU A 132 120.717 15.164 -18.087 1.00 0.00 H new ATOM 2141 N SER A 133 117.489 17.010 -15.916 1.00 0.00 N ATOM 2142 CA SER A 133 117.115 18.439 -15.718 1.00 0.00 C ATOM 2143 C SER A 133 116.173 18.881 -16.840 1.00 0.00 C ATOM 2144 O SER A 133 116.600 19.384 -17.860 1.00 0.00 O ATOM 2145 CB SER A 133 118.377 19.303 -15.744 1.00 0.00 C ATOM 2146 OG SER A 133 118.077 20.590 -15.221 1.00 0.00 O ATOM 0 H SER A 133 117.362 16.410 -15.101 1.00 0.00 H new ATOM 0 HA SER A 133 116.614 18.553 -14.757 1.00 0.00 H new ATOM 0 HB2 SER A 133 119.165 18.833 -15.155 1.00 0.00 H new ATOM 0 HB3 SER A 133 118.750 19.391 -16.764 1.00 0.00 H new ATOM 0 HG SER A 133 118.884 21.145 -15.235 1.00 0.00 H new ATOM 2152 N SER A 134 114.894 18.697 -16.660 1.00 0.00 N ATOM 2153 CA SER A 134 113.927 19.108 -17.717 1.00 0.00 C ATOM 2154 C SER A 134 112.534 19.260 -17.104 1.00 0.00 C ATOM 2155 O SER A 134 112.373 20.122 -16.256 1.00 0.00 O ATOM 2156 CB SER A 134 113.888 18.042 -18.813 1.00 0.00 C ATOM 2157 OG SER A 134 113.111 18.520 -19.904 1.00 0.00 O ATOM 2158 OXT SER A 134 111.653 18.512 -17.493 1.00 0.00 O ATOM 0 H SER A 134 114.477 18.280 -15.828 1.00 0.00 H new ATOM 0 HA SER A 134 114.240 20.060 -18.146 1.00 0.00 H new ATOM 0 HB2 SER A 134 114.899 17.809 -19.146 1.00 0.00 H new ATOM 0 HB3 SER A 134 113.460 17.118 -18.423 1.00 0.00 H new ATOM 0 HG SER A 134 112.177 18.615 -19.623 1.00 0.00 H new TER 2164 SER A 134